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_G 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 0.000 176.313 176.300 0.021 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.611 32.600 0.019 0.000 1.302 2 L N 2.215 123.452 121.223 0.023 0.000 2.540 2 L HA 0.012 4.352 4.340 -0.000 0.000 0.276 2 L C 0.912 177.802 176.870 0.034 0.000 1.212 2 L CA 0.120 54.976 54.840 0.027 0.000 0.893 2 L CB 0.178 42.253 42.059 0.026 0.000 1.138 2 L HN 0.757 nan 8.230 nan 0.000 0.491 3 K N 2.271 122.694 120.400 0.038 0.000 2.103 3 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 3 K C 1.749 178.385 176.600 0.060 0.000 1.048 3 K CA 1.146 57.466 56.287 0.055 0.000 0.930 3 K CB -0.093 32.444 32.500 0.061 0.000 0.716 3 K HN 0.438 nan 8.250 nan 0.000 0.444 4 L N 1.578 122.829 121.223 0.047 0.000 2.083 4 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 4 L C 2.231 179.127 176.870 0.043 0.000 1.083 4 L CA 1.634 56.500 54.840 0.043 0.000 0.752 4 L CB -0.269 41.809 42.059 0.032 0.000 0.899 4 L HN 0.189 nan 8.230 nan 0.000 0.433 5 Q N -1.537 118.287 119.800 0.040 0.000 2.084 5 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 5 Q C 1.952 177.978 176.000 0.044 0.000 0.978 5 Q CA 2.239 58.065 55.803 0.038 0.000 0.844 5 Q CB -0.082 28.677 28.738 0.035 0.000 0.898 5 Q HN 0.526 nan 8.270 nan 0.000 0.426 6 T N 1.198 115.782 114.554 0.050 0.000 2.746 6 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 6 T C 1.817 176.567 174.700 0.083 0.000 1.039 6 T CA 0.845 62.980 62.100 0.058 0.000 1.142 6 T CB -0.145 68.757 68.868 0.056 0.000 0.866 6 T HN 0.195 nan 8.240 nan 0.000 0.444 7 L N 0.646 121.928 121.223 0.098 0.000 2.027 7 L HA -0.127 4.213 4.340 -0.000 0.000 0.206 7 L C 2.899 179.815 176.870 0.077 0.000 1.074 7 L CA 1.429 56.340 54.840 0.117 0.000 0.745 7 L CB -0.673 41.443 42.059 0.096 0.000 0.898 7 L HN 0.304 nan 8.230 nan 0.000 0.433 8 Q N -0.116 119.716 119.800 0.053 0.000 2.135 8 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 8 Q C 2.423 178.444 176.000 0.036 0.000 0.981 8 Q CA 1.704 57.530 55.803 0.037 0.000 0.856 8 Q CB -0.273 28.483 28.738 0.030 0.000 0.902 8 Q HN 0.557 nan 8.270 nan 0.000 0.425 9 A N 0.680 123.523 122.820 0.040 0.000 1.902 9 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 9 A C 2.047 179.655 177.584 0.041 0.000 1.181 9 A CA 1.037 53.094 52.037 0.032 0.000 0.623 9 A CB -0.634 18.384 19.000 0.030 0.000 0.818 9 A HN 0.296 nan 8.150 nan 0.000 0.443 10 L N -0.503 120.758 121.223 0.063 0.000 2.046 10 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 10 L C 2.476 179.387 176.870 0.068 0.000 1.077 10 L CA 1.270 56.158 54.840 0.080 0.000 0.747 10 L CB -0.472 41.669 42.059 0.138 0.000 0.896 10 L HN 0.398 nan 8.230 nan 0.000 0.432 11 I N -1.064 119.541 120.570 0.059 0.000 2.208 11 I HA -0.406 3.764 4.170 -0.000 0.000 0.245 11 I C 2.805 178.938 176.117 0.027 0.000 1.097 11 I CA 1.314 62.638 61.300 0.039 0.000 1.363 11 I CB -0.466 37.550 38.000 0.028 0.000 1.051 11 I HN 0.448 nan 8.210 nan 0.000 0.413 12 C N 1.123 120.437 119.300 0.023 0.000 2.440 12 C HA -0.107 4.353 4.460 -0.000 0.000 0.278 12 C C 2.744 177.742 174.990 0.013 0.000 1.295 12 C CA 0.578 59.603 59.018 0.012 0.000 1.738 12 C CB -0.894 26.848 27.740 0.004 0.000 1.987 12 C HN 0.392 nan 8.230 nan 0.000 0.492 13 I N 0.688 121.270 120.570 0.020 0.000 2.226 13 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 13 I C 2.630 178.760 176.117 0.021 0.000 1.100 13 I CA 2.129 63.441 61.300 0.020 0.000 1.374 13 I CB -0.722 37.294 38.000 0.027 0.000 1.057 13 I HN 0.500 nan 8.210 nan 0.000 0.413 14 E N 1.126 121.343 120.200 0.028 0.000 2.118 14 E HA -0.309 4.041 4.350 -0.000 0.000 0.195 14 E C 2.078 178.687 176.600 0.016 0.000 0.992 14 E CA 1.616 58.031 56.400 0.025 0.000 0.804 14 E CB 0.001 29.720 29.700 0.031 0.000 0.741 14 E HN 0.546 nan 8.360 nan 0.000 0.458 15 E N -0.002 120.205 120.200 0.012 0.000 2.051 15 E HA -0.127 4.223 4.350 -0.000 0.000 0.189 15 E C 2.057 178.659 176.600 0.004 0.000 0.979 15 E CA 1.452 57.856 56.400 0.007 0.000 0.803 15 E CB 0.262 29.965 29.700 0.005 0.000 0.761 15 E HN 0.288 nan 8.360 nan 0.000 0.451 16 V N -3.156 116.760 119.914 0.004 0.000 3.590 16 V HA 0.429 4.549 4.120 -0.000 0.000 0.265 16 V C 1.305 177.400 176.094 0.003 0.000 1.239 16 V CA 0.617 62.917 62.300 0.001 0.000 1.117 16 V CB 0.195 32.016 31.823 -0.004 0.000 0.818 16 V HN 0.367 nan 8.190 nan 0.000 0.451 17 G N 0.253 109.057 108.800 0.006 0.000 2.147 17 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.244 17 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.244 17 G C 0.166 175.070 174.900 0.007 0.000 1.005 17 G CA 0.619 45.723 45.100 0.007 0.000 0.713 17 G HN 1.589 nan 8.290 nan 0.000 0.515 18 S N -1.424 114.279 115.700 0.006 0.000 2.592 18 S HA 0.531 5.001 4.470 -0.000 0.000 0.275 18 S C 0.816 175.419 174.600 0.005 0.000 1.169 18 S CA 0.210 58.413 58.200 0.005 0.000 0.958 18 S CB 1.372 64.573 63.200 0.001 0.000 1.095 18 S HN 1.012 nan 8.310 nan 0.000 0.471 19 L N 5.332 126.558 121.223 0.006 0.000 2.056 19 L HA 0.045 4.385 4.340 -0.000 0.000 0.207 19 L C 2.517 179.389 176.870 0.003 0.000 1.078 19 L CA 1.309 56.153 54.840 0.006 0.000 0.749 19 L CB -0.206 41.858 42.059 0.007 0.000 0.901 19 L HN 0.773 nan 8.230 nan 0.000 0.433 20 R N -0.238 120.263 120.500 0.002 0.000 2.081 20 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 20 R C 2.322 178.619 176.300 -0.005 0.000 1.131 20 R CA 1.322 57.422 56.100 0.000 0.000 0.960 20 R CB -0.617 29.684 30.300 0.001 0.000 0.856 20 R HN 0.503 nan 8.270 nan 0.000 0.436 21 A N 1.309 124.125 122.820 -0.006 0.000 1.930 21 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 21 A C 2.376 179.946 177.584 -0.023 0.000 1.175 21 A CA 1.580 53.609 52.037 -0.014 0.000 0.627 21 A CB -0.566 18.428 19.000 -0.011 0.000 0.815 21 A HN 0.393 nan 8.150 nan 0.000 0.443 22 A N -0.056 122.755 122.820 -0.015 0.000 1.898 22 A HA 0.179 4.499 4.320 -0.000 0.000 0.216 22 A C 2.511 180.079 177.584 -0.027 0.000 1.181 22 A CA 2.008 54.034 52.037 -0.019 0.000 0.620 22 A CB -1.043 17.955 19.000 -0.004 0.000 0.819 22 A HN 1.045 nan 8.150 nan 0.000 0.442 23 A N -1.089 121.721 122.820 -0.015 0.000 1.883 23 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 23 A C 2.144 179.710 177.584 -0.032 0.000 1.186 23 A CA 1.798 53.828 52.037 -0.012 0.000 0.624 23 A CB -0.517 18.485 19.000 0.002 0.000 0.822 23 A HN 0.492 nan 8.150 nan 0.000 0.444 24 Q N -0.709 119.069 119.800 -0.038 0.000 2.084 24 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 24 Q C 2.206 178.108 176.000 -0.163 0.000 0.978 24 Q CA 1.530 57.300 55.803 -0.054 0.000 0.844 24 Q CB -0.578 28.142 28.738 -0.031 0.000 0.898 24 Q HN 0.746 nan 8.270 nan 0.000 0.426 25 L N 0.055 121.185 121.223 -0.155 0.000 2.046 25 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 25 L C 1.837 178.509 176.870 -0.331 0.000 1.077 25 L CA 0.977 55.690 54.840 -0.212 0.000 0.747 25 L CB -0.057 41.937 42.059 -0.108 0.000 0.896 25 L HN 0.153 nan 8.230 nan 0.000 0.432 26 L N -1.087 120.013 121.223 -0.205 0.000 2.591 26 L HA 0.032 4.372 4.340 -0.000 0.000 0.228 26 L C 0.165 176.994 176.870 -0.068 0.000 1.133 26 L CA 0.021 54.782 54.840 -0.132 0.000 0.880 26 L CB -0.631 41.407 42.059 -0.036 0.000 1.033 26 L HN 0.380 nan 8.230 nan 0.000 0.450 27 H N -1.049 118.027 119.070 0.010 0.000 2.756 27 H HA -0.146 4.410 4.556 -0.000 0.000 0.315 27 H C -0.375 174.958 175.328 0.009 0.000 1.210 27 H CA -0.054 55.999 56.048 0.009 0.000 1.150 27 H CB -1.816 27.951 29.762 0.008 0.000 1.463 27 H HN 0.255 nan 8.280 nan 0.000 0.427 28 L N -0.244 121.025 121.223 0.076 0.000 2.330 28 L HA 0.395 4.735 4.340 -0.000 0.000 0.271 28 L C 0.755 177.651 176.870 0.042 0.000 1.013 28 L CA -0.867 54.006 54.840 0.054 0.000 0.816 28 L CB 1.800 43.879 42.059 0.033 0.000 1.287 28 L HN 0.219 nan 8.230 nan 0.000 0.435 29 S N 0.788 116.510 115.700 0.035 0.000 2.525 29 S HA 0.019 4.489 4.470 -0.000 0.000 0.285 29 S C 0.901 175.513 174.600 0.019 0.000 1.283 29 S CA -0.146 58.070 58.200 0.026 0.000 1.072 29 S CB 0.694 63.906 63.200 0.021 0.000 0.867 29 S HN 0.707 nan 8.310 nan 0.000 0.492 30 Q N 4.985 124.795 119.800 0.016 0.000 2.030 30 Q HA -0.081 4.259 4.340 -0.000 0.000 0.204 30 Q C -0.547 175.458 176.000 0.009 0.000 0.986 30 Q CA 1.715 57.524 55.803 0.011 0.000 0.843 30 Q CB -0.923 27.821 28.738 0.009 0.000 0.904 30 Q HN 0.678 nan 8.270 nan 0.000 0.420 31 P HA -0.163 nan 4.420 nan 0.000 0.216 31 P C 0.874 178.178 177.300 0.006 0.000 1.150 31 P CA 1.884 64.988 63.100 0.006 0.000 0.837 31 P CB -0.075 31.628 31.700 0.006 0.000 0.786 32 A N 0.104 122.929 122.820 0.009 0.000 1.883 32 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 32 A C 2.248 179.837 177.584 0.009 0.000 1.186 32 A CA 1.795 53.837 52.037 0.009 0.000 0.624 32 A CB -1.670 17.338 19.000 0.013 0.000 0.822 32 A HN 0.200 nan 8.150 nan 0.000 0.444 33 L N -0.224 121.006 121.223 0.011 0.000 2.056 33 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 33 L C 2.566 179.440 176.870 0.006 0.000 1.078 33 L CA 2.558 57.405 54.840 0.011 0.000 0.749 33 L CB -0.835 41.232 42.059 0.013 0.000 0.901 33 L HN 0.357 nan 8.230 nan 0.000 0.433 34 S N -0.631 115.072 115.700 0.004 0.000 2.359 34 S HA -0.223 4.247 4.470 -0.000 0.000 0.224 34 S C 2.165 176.763 174.600 -0.005 0.000 1.035 34 S CA 1.456 59.656 58.200 -0.000 0.000 1.018 34 S CB -0.536 62.664 63.200 0.000 0.000 0.876 34 S HN 0.671 nan 8.310 nan 0.000 0.448 35 A N 1.190 124.008 122.820 -0.003 0.000 1.933 35 A HA 0.217 4.537 4.320 -0.000 0.000 0.218 35 A C 2.457 180.036 177.584 -0.009 0.000 1.175 35 A CA 1.848 53.881 52.037 -0.007 0.000 0.628 35 A CB -1.322 17.676 19.000 -0.004 0.000 0.814 35 A HN 0.779 nan 8.150 nan 0.000 0.444 36 A N -0.161 122.657 122.820 -0.004 0.000 1.902 36 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 36 A C 2.111 179.687 177.584 -0.013 0.000 1.181 36 A CA 1.522 53.557 52.037 -0.003 0.000 0.623 36 A CB -0.536 18.468 19.000 0.007 0.000 0.818 36 A HN 0.495 nan 8.150 nan 0.000 0.443 37 I N -0.997 119.564 120.570 -0.014 0.000 2.286 37 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 37 I C 2.717 178.806 176.117 -0.047 0.000 1.104 37 I CA 1.582 62.865 61.300 -0.029 0.000 1.397 37 I CB -0.242 37.748 38.000 -0.017 0.000 1.072 37 I HN 0.410 nan 8.210 nan 0.000 0.417 38 Q N 1.185 120.964 119.800 -0.035 0.000 2.077 38 Q HA -0.309 4.031 4.340 -0.000 0.000 0.206 38 Q C 2.154 178.124 176.000 -0.050 0.000 0.989 38 Q CA 2.021 57.799 55.803 -0.041 0.000 0.853 38 Q CB -0.347 28.374 28.738 -0.028 0.000 0.907 38 Q HN 0.473 nan 8.270 nan 0.000 0.418 39 Q N -0.910 118.866 119.800 -0.040 0.000 2.124 39 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 39 Q C 1.956 177.921 176.000 -0.058 0.000 0.977 39 Q CA 1.397 57.176 55.803 -0.041 0.000 0.850 39 Q CB -0.185 28.538 28.738 -0.026 0.000 0.901 39 Q HN 0.475 nan 8.270 nan 0.000 0.429 40 L N 1.240 122.421 121.223 -0.070 0.000 2.017 40 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 40 L C 1.809 178.582 176.870 -0.162 0.000 1.073 40 L CA 1.948 56.721 54.840 -0.111 0.000 0.745 40 L CB -0.458 41.526 42.059 -0.125 0.000 0.894 40 L HN 0.217 nan 8.230 nan 0.000 0.432 41 E N -0.480 119.629 120.200 -0.153 0.000 2.085 41 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 41 E C 1.781 178.300 176.600 -0.136 0.000 0.994 41 E CA 1.389 57.692 56.400 -0.161 0.000 0.801 41 E CB -0.235 29.392 29.700 -0.122 0.000 0.743 41 E HN 0.584 nan 8.360 nan 0.000 0.453 42 D N 0.812 121.152 120.400 -0.100 0.000 2.117 42 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 42 D C 1.758 178.008 176.300 -0.083 0.000 0.987 42 D CA 1.073 55.023 54.000 -0.083 0.000 0.829 42 D CB -0.201 40.563 40.800 -0.060 0.000 0.961 42 D HN 0.293 nan 8.370 nan 0.000 0.460 43 E N 0.220 120.371 120.200 -0.081 0.000 2.072 43 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 43 E C 2.225 178.775 176.600 -0.083 0.000 0.985 43 E CA 0.459 56.818 56.400 -0.069 0.000 0.801 43 E CB -0.071 29.597 29.700 -0.054 0.000 0.750 43 E HN 0.253 nan 8.360 nan 0.000 0.452 44 L N 0.450 121.600 121.223 -0.123 0.000 2.478 44 L HA -0.013 4.327 4.340 -0.000 0.000 0.223 44 L C 0.506 177.286 176.870 -0.150 0.000 1.140 44 L CA 0.403 55.161 54.840 -0.137 0.000 0.842 44 L CB -0.236 41.693 42.059 -0.217 0.000 0.953 44 L HN 0.060 nan 8.230 nan 0.000 0.452 45 K N -0.491 119.819 120.400 -0.150 0.000 3.071 45 K HA -0.185 4.135 4.320 -0.000 0.000 0.265 45 K C -0.128 176.312 176.600 -0.266 0.000 1.060 45 K CA 0.419 56.606 56.287 -0.166 0.000 0.767 45 K CB -1.625 30.800 32.500 -0.125 0.000 1.241 45 K HN 0.431 nan 8.250 nan 0.000 0.486 46 A N -0.272 122.361 122.820 -0.311 0.000 2.604 46 A HA 0.642 4.962 4.320 -0.000 0.000 0.295 46 A C -2.926 174.487 177.584 -0.286 0.000 1.067 46 A CA -1.356 50.395 52.037 -0.477 0.000 0.683 46 A CB 1.454 19.864 19.000 -0.984 0.000 1.281 46 A HN -0.099 nan 8.150 nan 0.000 0.407 47 P HA 0.461 nan 4.420 nan 0.000 0.279 47 P C 0.267 177.587 177.300 0.033 0.000 1.239 47 P CA -0.265 62.803 63.100 -0.053 0.000 0.789 47 P CB 0.740 32.444 31.700 0.008 0.000 0.933 48 L N 1.217 122.437 121.223 -0.004 0.000 2.416 48 L HA 0.224 4.564 4.340 -0.000 0.000 0.216 48 L C 0.683 177.590 176.870 0.062 0.000 1.098 48 L CA 0.561 55.420 54.840 0.031 0.000 0.840 48 L CB -0.104 41.923 42.059 -0.053 0.000 0.981 48 L HN 0.270 nan 8.230 nan 0.000 0.462 49 L N -0.383 120.865 121.223 0.042 0.000 2.370 49 L HA 0.603 4.943 4.340 -0.000 0.000 0.266 49 L C -1.051 175.842 176.870 0.039 0.000 1.002 49 L CA -0.632 54.231 54.840 0.038 0.000 0.818 49 L CB 3.072 45.144 42.059 0.022 0.000 1.325 49 L HN -0.353 nan 8.230 nan 0.000 0.418 50 V N 2.289 122.225 119.914 0.035 0.000 2.709 50 V HA 0.554 4.674 4.120 -0.000 0.000 0.308 50 V C -0.555 175.551 176.094 0.021 0.000 1.062 50 V CA -0.627 61.691 62.300 0.030 0.000 0.901 50 V CB 2.252 34.096 31.823 0.035 0.000 1.003 50 V HN 0.807 nan 8.190 nan 0.000 0.425 51 R N 3.619 124.129 120.500 0.016 0.000 2.490 51 R HA 0.640 4.980 4.340 -0.000 0.000 0.280 51 R C 0.010 176.316 176.300 0.011 0.000 1.077 51 R CA 0.774 56.881 56.100 0.012 0.000 1.065 51 R CB 0.988 31.293 30.300 0.009 0.000 1.003 51 R HN 1.030 nan 8.270 nan 0.000 0.470 52 T N -0.086 114.473 114.554 0.009 0.000 2.888 52 T HA 0.457 4.807 4.350 -0.000 0.000 0.288 52 T C 1.061 175.764 174.700 0.006 0.000 1.063 52 T CA -0.333 61.772 62.100 0.007 0.000 1.010 52 T CB 1.446 70.318 68.868 0.007 0.000 1.214 52 T HN 0.485 nan 8.240 nan 0.000 0.533 53 K N -0.190 120.213 120.400 0.005 0.000 2.148 53 K HA 0.079 4.399 4.320 -0.000 0.000 0.204 53 K C 2.776 179.378 176.600 0.004 0.000 1.050 53 K CA 2.058 58.348 56.287 0.004 0.000 0.942 53 K CB -1.733 30.770 32.500 0.003 0.000 0.724 53 K HN 0.870 nan 8.250 nan 0.000 0.446 54 R N -0.237 120.265 120.500 0.004 0.000 2.070 54 R HA 0.293 4.633 4.340 -0.000 0.000 0.233 54 R C 2.365 178.668 176.300 0.004 0.000 1.137 54 R CA 2.532 58.635 56.100 0.004 0.000 0.945 54 R CB -1.046 29.256 30.300 0.004 0.000 0.845 54 R HN 1.113 nan 8.270 nan 0.000 0.430 55 G N -2.288 106.516 108.800 0.005 0.000 2.445 55 G HA2 0.363 4.323 3.960 -0.000 0.000 0.104 55 G HA3 0.363 4.323 3.960 -0.000 0.000 0.104 55 G C -0.469 174.436 174.900 0.008 0.000 0.958 55 G CA 0.617 45.720 45.100 0.006 0.000 1.324 55 G HN 1.356 nan 8.290 nan 0.000 0.549 56 V N -1.441 118.479 119.914 0.010 0.000 3.007 56 V HA 0.944 5.064 4.120 -0.000 0.000 0.311 56 V C -0.510 175.594 176.094 0.015 0.000 1.120 56 V CA -0.418 61.890 62.300 0.013 0.000 0.980 56 V CB 1.440 33.272 31.823 0.015 0.000 1.033 56 V HN 0.844 nan 8.190 nan 0.000 0.429 57 S N 2.179 117.890 115.700 0.019 0.000 2.634 57 S HA 0.768 5.238 4.470 -0.000 0.000 0.296 57 S C -0.512 174.106 174.600 0.030 0.000 1.104 57 S CA -0.821 57.391 58.200 0.021 0.000 0.920 57 S CB 1.679 64.888 63.200 0.015 0.000 1.111 57 S HN 0.799 nan 8.310 nan 0.000 0.493 58 L N 2.365 123.609 121.223 0.035 0.000 2.426 58 L HA 0.274 4.614 4.340 -0.000 0.000 0.271 58 L C 1.244 178.139 176.870 0.043 0.000 1.169 58 L CA -0.428 54.442 54.840 0.051 0.000 0.836 58 L CB 0.380 42.474 42.059 0.059 0.000 1.112 58 L HN 0.793 nan 8.230 nan 0.000 0.465 59 T N -1.657 112.936 114.554 0.066 0.000 2.732 59 T HA 0.062 4.412 4.350 -0.000 0.000 0.287 59 T C 1.355 176.046 174.700 -0.015 0.000 0.993 59 T CA -0.218 61.913 62.100 0.052 0.000 0.966 59 T CB 0.993 69.961 68.868 0.166 0.000 1.047 59 T HN 0.731 nan 8.240 nan 0.000 0.527 60 S N 0.410 116.012 115.700 -0.164 0.000 2.370 60 S HA -0.165 4.305 4.470 -0.000 0.000 0.226 60 S C 1.723 176.173 174.600 -0.250 0.000 1.033 60 S CA 1.115 59.147 58.200 -0.280 0.000 1.011 60 S CB -1.198 61.716 63.200 -0.478 0.000 0.852 60 S HN 0.641 nan 8.310 nan 0.000 0.457 61 F N 2.741 122.718 119.950 0.045 0.000 2.134 61 F HA 0.175 4.702 4.527 0.000 0.000 0.299 61 F C 2.914 178.780 175.800 0.109 0.000 1.097 61 F CA 0.608 58.647 58.000 0.064 0.000 1.264 61 F CB -1.356 37.660 39.000 0.027 0.000 1.001 61 F HN 0.372 nan 8.300 nan 0.000 0.479 62 G N -0.724 108.225 108.800 0.248 0.000 2.422 62 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 62 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 62 G C 1.516 176.538 174.900 0.203 0.000 1.146 62 G CA 0.556 45.788 45.100 0.219 0.000 0.769 62 G HN 0.350 nan 8.290 nan 0.000 0.547 63 Q N 0.206 120.075 119.800 0.116 0.000 2.079 63 Q HA 0.054 4.394 4.340 -0.000 0.000 0.200 63 Q C 3.017 179.067 176.000 0.084 0.000 0.974 63 Q CA 1.266 57.113 55.803 0.073 0.000 0.840 63 Q CB -0.263 28.486 28.738 0.019 0.000 0.898 63 Q HN 0.461 nan 8.270 nan 0.000 0.430 64 A N 0.574 123.462 122.820 0.114 0.000 1.877 64 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 64 A C 1.897 179.617 177.584 0.228 0.000 1.186 64 A CA 1.286 53.406 52.037 0.138 0.000 0.620 64 A CB -0.854 18.251 19.000 0.175 0.000 0.822 64 A HN 0.457 nan 8.150 nan 0.000 0.443 65 F N -0.385 119.669 119.950 0.172 0.000 2.171 65 F HA -0.162 4.365 4.527 0.000 0.000 0.300 65 F C 2.139 178.034 175.800 0.159 0.000 1.090 65 F CA 2.141 60.269 58.000 0.213 0.000 1.293 65 F CB -0.207 38.879 39.000 0.144 0.000 1.013 65 F HN 0.256 nan 8.300 nan 0.000 0.486 66 M N 0.917 120.606 119.600 0.148 0.000 2.213 66 M HA -0.184 4.296 4.480 -0.000 0.000 0.263 66 M C 1.891 178.139 176.300 -0.087 0.000 1.062 66 M CA 1.719 57.036 55.300 0.028 0.000 1.105 66 M CB -0.556 32.090 32.600 0.077 0.000 1.385 66 M HN 0.047 nan 8.290 nan 0.000 0.417 67 K N -1.148 119.179 120.400 -0.121 0.000 2.063 67 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 67 K C 2.004 178.437 176.600 -0.279 0.000 1.048 67 K CA 1.569 57.730 56.287 -0.211 0.000 0.928 67 K CB -0.591 31.742 32.500 -0.278 0.000 0.713 67 K HN 0.535 nan 8.250 nan 0.000 0.442 68 H N 0.283 119.228 119.070 -0.208 0.000 2.357 68 H HA -0.003 4.553 4.556 0.000 0.000 0.301 68 H C 2.258 177.400 175.328 -0.310 0.000 1.082 68 H CA 1.355 57.245 56.048 -0.263 0.000 1.342 68 H CB -0.240 29.313 29.762 -0.348 0.000 1.389 68 H HN 0.259 nan 8.280 nan 0.000 0.511 69 A N 1.757 124.383 122.820 -0.323 0.000 1.908 69 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 69 A C 2.527 180.051 177.584 -0.099 0.000 1.181 69 A CA 1.622 53.514 52.037 -0.241 0.000 0.627 69 A CB -0.479 18.412 19.000 -0.180 0.000 0.818 69 A HN 0.330 nan 8.150 nan 0.000 0.445 70 R N -0.713 119.737 120.500 -0.085 0.000 2.075 70 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 70 R C 2.085 178.357 176.300 -0.046 0.000 1.126 70 R CA 1.374 57.444 56.100 -0.050 0.000 0.963 70 R CB -0.511 29.761 30.300 -0.047 0.000 0.858 70 R HN 0.513 nan 8.270 nan 0.000 0.435 71 L N 0.338 121.525 121.223 -0.060 0.000 2.046 71 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 71 L C 2.331 179.185 176.870 -0.026 0.000 1.077 71 L CA 1.309 56.125 54.840 -0.040 0.000 0.747 71 L CB -0.340 41.695 42.059 -0.041 0.000 0.896 71 L HN 0.174 nan 8.230 nan 0.000 0.432 72 I N -1.257 119.293 120.570 -0.033 0.000 2.252 72 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 72 I C 2.403 178.514 176.117 -0.011 0.000 1.102 72 I CA 0.843 62.131 61.300 -0.021 0.000 1.385 72 I CB -0.193 37.788 38.000 -0.033 0.000 1.064 72 I HN -0.025 nan 8.210 nan 0.000 0.414 73 V N 0.435 120.342 119.914 -0.012 0.000 2.295 73 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 73 V C 2.504 178.598 176.094 0.000 0.000 1.049 73 V CA 2.472 64.772 62.300 -0.000 0.000 1.024 73 V CB -0.888 30.937 31.823 0.003 0.000 0.648 73 V HN 0.465 nan 8.190 nan 0.000 0.447 74 T N -0.641 113.910 114.554 -0.006 0.000 2.746 74 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 74 T C 1.922 176.621 174.700 -0.001 0.000 1.039 74 T CA 1.805 63.903 62.100 -0.004 0.000 1.142 74 T CB -0.207 68.656 68.868 -0.009 0.000 0.866 74 T HN 0.449 nan 8.240 nan 0.000 0.444 75 E N 1.037 121.235 120.200 -0.003 0.000 2.106 75 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 75 E C 2.392 178.994 176.600 0.004 0.000 0.984 75 E CA 1.025 57.425 56.400 -0.000 0.000 0.806 75 E CB -0.299 29.401 29.700 -0.001 0.000 0.750 75 E HN 0.338 nan 8.360 nan 0.000 0.458 76 S N -0.093 115.611 115.700 0.005 0.000 2.368 76 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 76 S C 1.909 176.516 174.600 0.011 0.000 1.029 76 S CA 1.192 59.397 58.200 0.009 0.000 0.988 76 S CB -0.257 62.950 63.200 0.012 0.000 0.838 76 S HN 0.271 nan 8.310 nan 0.000 0.462 77 R N 1.240 121.746 120.500 0.011 0.000 2.075 77 R HA 0.027 4.367 4.340 -0.000 0.000 0.232 77 R C 2.403 178.710 176.300 0.012 0.000 1.126 77 R CA 1.054 57.161 56.100 0.013 0.000 0.963 77 R CB -0.106 30.201 30.300 0.012 0.000 0.858 77 R HN 0.261 nan 8.270 nan 0.000 0.435 78 R N 0.011 120.517 120.500 0.009 0.000 2.091 78 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 78 R C 2.363 178.669 176.300 0.010 0.000 1.136 78 R CA 1.506 57.611 56.100 0.009 0.000 0.959 78 R CB -0.373 29.930 30.300 0.006 0.000 0.856 78 R HN 0.285 nan 8.270 nan 0.000 0.437 79 A N 1.028 123.853 122.820 0.009 0.000 1.883 79 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 79 A C 2.077 179.669 177.584 0.013 0.000 1.186 79 A CA 1.246 53.288 52.037 0.009 0.000 0.624 79 A CB -0.379 18.625 19.000 0.007 0.000 0.822 79 A HN 0.244 nan 8.150 nan 0.000 0.444 80 Q N -0.341 119.469 119.800 0.016 0.000 2.084 80 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 80 Q C 1.943 177.958 176.000 0.025 0.000 0.978 80 Q CA 1.712 57.528 55.803 0.021 0.000 0.844 80 Q CB -0.354 28.398 28.738 0.022 0.000 0.898 80 Q HN 0.815 nan 8.270 nan 0.000 0.426 81 E N 0.761 120.974 120.200 0.022 0.000 2.051 81 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 81 E C 1.987 178.603 176.600 0.027 0.000 0.991 81 E CA 0.962 57.377 56.400 0.025 0.000 0.799 81 E CB -0.037 29.675 29.700 0.021 0.000 0.748 81 E HN 0.398 nan 8.360 nan 0.000 0.449 82 E N 0.564 120.777 120.200 0.021 0.000 2.047 82 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 82 E C 2.086 178.700 176.600 0.023 0.000 0.987 82 E CA 0.801 57.213 56.400 0.020 0.000 0.799 82 E CB 0.121 29.828 29.700 0.012 0.000 0.752 82 E HN 0.105 nan 8.360 nan 0.000 0.449 83 I N 1.189 121.771 120.570 0.021 0.000 2.226 83 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 83 I C 2.556 178.701 176.117 0.047 0.000 1.100 83 I CA 1.544 62.858 61.300 0.023 0.000 1.374 83 I CB -1.789 36.221 38.000 0.016 0.000 1.057 83 I HN 0.256 nan 8.210 nan 0.000 0.413 84 G N 0.241 109.071 108.800 0.050 0.000 2.440 84 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 84 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 84 G C 1.542 176.486 174.900 0.073 0.000 1.154 84 G CA 0.364 45.503 45.100 0.064 0.000 0.767 84 G HN 0.331 nan 8.290 nan 0.000 0.552 85 Q N 0.033 119.870 119.800 0.060 0.000 2.079 85 Q HA 0.060 4.400 4.340 -0.000 0.000 0.200 85 Q C 2.836 178.886 176.000 0.082 0.000 0.974 85 Q CA 0.802 56.644 55.803 0.065 0.000 0.840 85 Q CB -0.425 28.342 28.738 0.050 0.000 0.898 85 Q HN 0.522 nan 8.270 nan 0.000 0.430 86 L N 0.055 121.321 121.223 0.070 0.000 2.056 86 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 86 L C 2.731 179.684 176.870 0.137 0.000 1.078 86 L CA 1.130 56.015 54.840 0.075 0.000 0.749 86 L CB -0.459 41.613 42.059 0.022 0.000 0.901 86 L HN 0.159 nan 8.230 nan 0.000 0.433 87 R N 0.521 121.109 120.500 0.147 0.000 2.081 87 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 87 R C 2.263 178.741 176.300 0.297 0.000 1.131 87 R CA 1.535 57.800 56.100 0.275 0.000 0.960 87 R CB -0.556 29.881 30.300 0.228 0.000 0.856 87 R HN 0.368 nan 8.270 nan 0.000 0.436 88 G N 0.654 109.568 108.800 0.190 0.000 2.440 88 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 88 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 88 G C 1.480 176.481 174.900 0.169 0.000 1.154 88 G CA 0.627 45.819 45.100 0.154 0.000 0.767 88 G HN 0.320 nan 8.290 nan 0.000 0.552 89 R N -1.386 119.229 120.500 0.191 0.000 2.090 89 R HA -0.053 4.287 4.340 -0.000 0.000 0.228 89 R C 2.241 178.704 176.300 0.273 0.000 1.110 89 R CA 1.070 57.297 56.100 0.211 0.000 0.973 89 R CB -0.338 30.070 30.300 0.180 0.000 0.869 89 R HN 0.538 nan 8.270 nan 0.000 0.440 90 W N 2.283 123.633 121.300 0.084 0.000 2.378 90 W HA -0.131 4.529 4.660 -0.000 0.000 0.313 90 W C 1.282 177.852 176.519 0.085 0.000 1.197 90 W CA 1.247 58.640 57.345 0.080 0.000 1.304 90 W CB -0.219 29.278 29.460 0.062 0.000 1.148 90 W HN -0.026 nan 8.180 nan 0.000 0.494 91 E N -0.876 119.340 120.200 0.026 0.000 2.515 91 E HA -0.031 4.319 4.350 -0.000 0.000 0.201 91 E C 1.849 178.414 176.600 -0.059 0.000 1.071 91 E CA 0.687 56.982 56.400 -0.174 0.000 0.880 91 E CB -0.390 29.296 29.700 -0.023 0.000 0.828 91 E HN 0.411 nan 8.360 nan 0.000 0.540 92 G N -0.279 108.550 108.800 0.048 0.000 3.159 92 G HA2 0.037 3.997 3.960 -0.000 0.000 0.232 92 G HA3 0.037 3.997 3.960 -0.000 0.000 0.232 92 G C -0.127 174.529 174.900 -0.407 0.000 1.116 92 G CA -0.180 44.840 45.100 -0.134 0.000 0.767 92 G HN 0.163 nan 8.290 nan 0.000 0.547 93 H N -1.148 117.964 119.070 0.070 0.000 2.894 93 H HA 0.630 5.186 4.556 -0.000 0.000 0.367 93 H C -1.086 174.275 175.328 0.056 0.000 1.144 93 H CA -0.594 55.495 56.048 0.069 0.000 1.180 93 H CB 2.337 32.135 29.762 0.060 0.000 1.758 93 H HN -0.019 nan 8.280 nan 0.000 0.541 94 I N 1.568 122.242 120.570 0.173 0.000 2.569 94 I HA 0.375 4.545 4.170 -0.000 0.000 0.290 94 I C -0.658 175.526 176.117 0.112 0.000 1.088 94 I CA -0.584 60.787 61.300 0.118 0.000 1.047 94 I CB 2.391 40.434 38.000 0.071 0.000 1.237 94 I HN 0.583 nan 8.210 nan 0.000 0.421 95 T N 6.094 120.680 114.554 0.054 0.000 2.841 95 T HA 0.781 5.131 4.350 -0.000 0.000 0.285 95 T C -0.989 173.647 174.700 -0.108 0.000 0.991 95 T CA -0.414 61.677 62.100 -0.015 0.000 0.966 95 T CB 0.803 69.650 68.868 -0.035 0.000 0.962 95 T HN 0.463 nan 8.240 nan 0.000 0.438 96 F N 2.017 121.714 119.950 -0.422 0.000 2.685 96 F HA 0.923 5.450 4.527 -0.000 0.000 0.315 96 F C -1.036 174.571 175.800 -0.321 0.000 1.126 96 F CA -1.489 56.142 58.000 -0.615 0.000 0.950 96 F CB 0.917 39.033 39.000 -1.473 0.000 1.360 96 F HN 0.757 nan 8.300 nan 0.000 0.469 97 A N 1.187 123.883 122.820 -0.207 0.000 2.356 97 A HA 0.979 5.299 4.320 -0.000 0.000 0.323 97 A C -1.163 176.443 177.584 0.037 0.000 1.119 97 A CA -0.374 51.566 52.037 -0.162 0.000 0.790 97 A CB 1.110 20.085 19.000 -0.042 0.000 1.273 97 A HN 1.850 nan 8.150 nan 0.000 0.452 98 A N 0.811 123.630 122.820 -0.002 0.000 2.486 98 A HA 0.748 5.068 4.320 -0.000 0.000 0.300 98 A C 0.095 177.722 177.584 0.073 0.000 1.048 98 A CA 0.104 52.211 52.037 0.116 0.000 0.696 98 A CB 1.050 20.141 19.000 0.152 0.000 1.278 98 A HN 2.037 nan 8.150 nan 0.000 0.405 99 S N 1.992 117.746 115.700 0.089 0.000 2.632 99 S HA 0.521 4.991 4.470 -0.000 0.000 0.267 99 S C -1.889 172.709 174.600 -0.004 0.000 1.276 99 S CA -0.854 57.376 58.200 0.049 0.000 0.998 99 S CB 0.700 63.933 63.200 0.055 0.000 0.953 99 S HN 0.360 nan 8.310 nan 0.000 0.547 100 P HA -0.062 nan 4.420 nan 0.000 0.215 100 P C 1.572 178.820 177.300 -0.086 0.000 1.153 100 P CA 2.006 65.035 63.100 -0.118 0.000 0.853 100 P CB -0.307 31.192 31.700 -0.335 0.000 0.788 101 A N -0.672 122.098 122.820 -0.085 0.000 1.933 101 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 101 A C 2.115 179.659 177.584 -0.067 0.000 1.175 101 A CA 1.373 53.380 52.037 -0.048 0.000 0.628 101 A CB -1.369 17.643 19.000 0.020 0.000 0.814 101 A HN 0.033 nan 8.150 nan 0.000 0.444 102 I N -0.036 120.516 120.570 -0.031 0.000 2.163 102 I HA -0.188 3.982 4.170 -0.000 0.000 0.240 102 I C 2.971 179.093 176.117 0.008 0.000 1.081 102 I CA 1.381 62.673 61.300 -0.013 0.000 1.353 102 I CB -1.691 36.346 38.000 0.062 0.000 1.054 102 I HN 0.347 nan 8.210 nan 0.000 0.407 103 A N 0.630 123.461 122.820 0.020 0.000 1.978 103 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 103 A C 2.348 179.932 177.584 -0.001 0.000 1.170 103 A CA 1.547 53.595 52.037 0.020 0.000 0.636 103 A CB -0.734 18.271 19.000 0.009 0.000 0.810 103 A HN 0.460 nan 8.150 nan 0.000 0.448 104 L N -2.563 118.649 121.223 -0.018 0.000 2.416 104 L HA 0.166 4.506 4.340 -0.000 0.000 0.216 104 L C 2.509 179.357 176.870 -0.036 0.000 1.098 104 L CA 0.696 55.523 54.840 -0.022 0.000 0.840 104 L CB -0.076 41.971 42.059 -0.019 0.000 0.981 104 L HN 0.428 nan 8.230 nan 0.000 0.462 105 A N -0.712 122.075 122.820 -0.054 0.000 1.989 105 A HA 0.403 4.723 4.320 -0.000 0.000 0.201 105 A C 2.216 179.756 177.584 -0.073 0.000 1.720 105 A CA 0.712 52.706 52.037 -0.071 0.000 0.956 105 A CB -0.564 18.377 19.000 -0.099 0.000 1.094 105 A HN 0.126 nan 8.150 nan 0.000 0.561 106 A N 0.016 122.790 122.820 -0.076 0.000 1.872 106 A HA 0.089 4.409 4.320 -0.000 0.000 0.214 106 A C 2.125 179.711 177.584 0.004 0.000 1.187 106 A CA 1.377 53.401 52.037 -0.022 0.000 0.614 106 A CB -0.735 18.249 19.000 -0.026 0.000 0.826 106 A HN 0.409 nan 8.150 nan 0.000 0.442 107 L N -0.463 120.773 121.223 0.023 0.000 2.012 107 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 107 L C -0.463 176.414 176.870 0.013 0.000 1.073 107 L CA 1.768 56.645 54.840 0.061 0.000 0.748 107 L CB -1.354 40.768 42.059 0.105 0.000 0.891 107 L HN 0.261 nan 8.230 nan 0.000 0.431 108 P HA -0.162 nan 4.420 nan 0.000 0.216 108 P C 1.943 179.178 177.300 -0.109 0.000 1.153 108 P CA 1.311 64.382 63.100 -0.048 0.000 0.848 108 P CB 0.114 31.783 31.700 -0.051 0.000 0.787 109 L N -1.242 119.855 121.223 -0.210 0.000 2.109 109 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 109 L C 2.429 179.048 176.870 -0.419 0.000 1.086 109 L CA 1.394 55.985 54.840 -0.415 0.000 0.760 109 L CB -1.029 40.599 42.059 -0.719 0.000 0.910 109 L HN -0.046 nan 8.230 nan 0.000 0.437 110 A N 0.171 122.869 122.820 -0.203 0.000 1.898 110 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 110 A C 2.215 179.835 177.584 0.059 0.000 1.181 110 A CA 1.249 53.371 52.037 0.142 0.000 0.620 110 A CB -0.620 18.550 19.000 0.283 0.000 0.819 110 A HN 0.342 nan 8.150 nan 0.000 0.442 111 L N -0.795 120.451 121.223 0.040 0.000 2.083 111 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 111 L C 3.078 179.985 176.870 0.062 0.000 1.083 111 L CA 1.023 55.916 54.840 0.088 0.000 0.752 111 L CB -0.511 41.599 42.059 0.083 0.000 0.899 111 L HN 0.448 nan 8.230 nan 0.000 0.433 112 A N -0.647 122.144 122.820 -0.047 0.000 1.873 112 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 112 A C 2.508 179.978 177.584 -0.190 0.000 1.186 112 A CA 1.983 53.966 52.037 -0.090 0.000 0.616 112 A CB -0.592 18.345 19.000 -0.106 0.000 0.823 112 A HN 0.361 nan 8.150 nan 0.000 0.442 113 S N -0.883 114.600 115.700 -0.361 0.000 2.356 113 S HA -0.144 4.326 4.470 -0.000 0.000 0.223 113 S C 1.684 175.805 174.600 -0.799 0.000 1.032 113 S CA 1.469 59.193 58.200 -0.793 0.000 1.005 113 S CB -0.584 61.673 63.200 -1.571 0.000 0.867 113 S HN 0.635 nan 8.310 nan 0.000 0.449 114 F N 2.775 122.310 119.950 -0.691 0.000 2.091 114 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 114 F C 2.313 178.135 175.800 0.037 0.000 1.103 114 F CA 1.298 59.191 58.000 -0.179 0.000 1.228 114 F CB -0.720 38.306 39.000 0.044 0.000 0.984 114 F HN 0.178 nan 8.300 nan 0.000 0.477 115 A N 0.502 123.309 122.820 -0.022 0.000 2.019 115 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 115 A C 2.304 179.796 177.584 -0.154 0.000 1.164 115 A CA 1.450 53.443 52.037 -0.073 0.000 0.644 115 A CB -0.677 18.357 19.000 0.057 0.000 0.805 115 A HN 0.507 nan 8.150 nan 0.000 0.449 116 R N -0.841 119.554 120.500 -0.176 0.000 2.073 116 R HA -0.097 4.243 4.340 -0.000 0.000 0.229 116 R C 2.230 178.410 176.300 -0.200 0.000 1.120 116 R CA 1.443 57.445 56.100 -0.164 0.000 0.967 116 R CB -0.200 30.005 30.300 -0.158 0.000 0.862 116 R HN 0.760 nan 8.270 nan 0.000 0.436 117 E N -0.159 119.892 120.200 -0.248 0.000 2.112 117 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 117 E C -0.326 175.859 176.600 -0.692 0.000 0.979 117 E CA 0.693 56.864 56.400 -0.381 0.000 0.814 117 E CB 0.322 29.890 29.700 -0.220 0.000 0.762 117 E HN 0.128 nan 8.360 nan 0.000 0.460 118 F N 0.830 120.488 119.950 -0.487 0.000 2.471 118 F HA 0.293 4.820 4.527 -0.000 0.000 0.318 118 F C -1.850 173.725 175.800 -0.376 0.000 1.308 118 F CA -1.941 55.755 58.000 -0.507 0.000 1.162 118 F CB 1.552 40.026 39.000 -0.877 0.000 1.383 118 F HN 0.013 nan 8.300 nan 0.000 0.552 119 P HA -0.126 nan 4.420 nan 0.000 0.222 119 P C 0.282 177.569 177.300 -0.022 0.000 1.147 119 P CA 1.350 64.406 63.100 -0.072 0.000 0.790 119 P CB 0.421 32.075 31.700 -0.077 0.000 0.780 120 D N -0.482 119.914 120.400 -0.006 0.000 2.424 120 D HA 0.126 4.766 4.640 -0.000 0.000 0.220 120 D C 0.093 176.396 176.300 0.006 0.000 1.150 120 D CA -0.021 53.981 54.000 0.003 0.000 0.831 120 D CB 0.872 41.672 40.800 0.000 0.000 0.981 120 D HN 0.051 nan 8.370 nan 0.000 0.500 121 V N 1.111 121.056 119.914 0.053 0.000 2.427 121 V HA 0.215 4.335 4.120 -0.000 0.000 0.286 121 V C 0.606 176.751 176.094 0.084 0.000 1.034 121 V CA -0.414 61.929 62.300 0.071 0.000 0.893 121 V CB 1.901 33.861 31.823 0.228 0.000 0.982 121 V HN -0.068 nan 8.190 nan 0.000 0.452 122 T N 4.893 119.423 114.554 -0.041 0.000 2.749 122 T HA 0.437 4.787 4.350 -0.000 0.000 0.295 122 T C -0.126 174.641 174.700 0.111 0.000 0.936 122 T CA -0.135 61.984 62.100 0.033 0.000 1.060 122 T CB 1.015 69.890 68.868 0.011 0.000 0.904 122 T HN 0.377 nan 8.240 nan 0.000 0.500 123 V N 4.799 124.793 119.914 0.134 0.000 2.483 123 V HA 0.460 4.580 4.120 -0.000 0.000 0.295 123 V C 0.205 176.344 176.094 0.076 0.000 1.035 123 V CA -0.986 61.389 62.300 0.126 0.000 0.896 123 V CB 1.663 33.566 31.823 0.133 0.000 0.986 123 V HN 0.759 nan 8.190 nan 0.000 0.447 124 N N 3.449 122.171 118.700 0.036 0.000 2.483 124 N HA 0.399 5.139 4.740 -0.000 0.000 0.267 124 N C -1.465 173.896 175.510 -0.248 0.000 0.998 124 N CA -0.096 52.918 53.050 -0.060 0.000 0.918 124 N CB 1.932 40.400 38.487 -0.031 0.000 1.215 124 N HN 0.484 nan 8.380 nan 0.000 0.500 125 V N 4.880 124.593 119.914 -0.336 0.000 2.555 125 V HA 0.690 4.810 4.120 -0.000 0.000 0.302 125 V C -0.529 175.318 176.094 -0.412 0.000 1.038 125 V CA -0.620 61.276 62.300 -0.672 0.000 0.887 125 V CB 1.320 32.686 31.823 -0.763 0.000 0.991 125 V HN 0.776 nan 8.190 nan 0.000 0.434 126 R N 3.447 123.688 120.500 -0.432 0.000 2.888 126 R HA 0.645 4.985 4.340 -0.000 0.000 0.264 126 R C -1.368 174.820 176.300 -0.186 0.000 1.045 126 R CA -1.008 54.952 56.100 -0.233 0.000 0.962 126 R CB 1.430 31.627 30.300 -0.171 0.000 1.210 126 R HN 0.481 nan 8.270 nan 0.000 0.479 127 D N -0.258 120.088 120.400 -0.089 0.000 2.362 127 D HA 0.447 5.087 4.640 -0.000 0.000 0.242 127 D C -0.041 176.251 176.300 -0.013 0.000 1.132 127 D CA 0.539 54.523 54.000 -0.027 0.000 0.907 127 D CB 1.605 42.417 40.800 0.020 0.000 1.195 127 D HN 0.731 nan 8.370 nan 0.000 0.429 128 G N -0.132 108.686 108.800 0.030 0.000 2.616 128 G HA2 0.481 4.441 3.960 -0.000 0.000 0.294 128 G HA3 0.481 4.441 3.960 -0.000 0.000 0.294 128 G C -1.531 173.428 174.900 0.098 0.000 1.489 128 G CA -0.730 44.400 45.100 0.050 0.000 0.836 128 G HN 0.403 nan 8.290 nan 0.000 0.527 129 M N 1.094 120.759 119.600 0.108 0.000 2.550 129 M HA 0.693 5.173 4.480 -0.000 0.000 0.292 129 M C -1.767 174.627 176.300 0.157 0.000 1.221 129 M CA -1.052 54.337 55.300 0.148 0.000 0.873 129 M CB 2.561 35.251 32.600 0.150 0.000 1.727 129 M HN 0.649 nan 8.290 nan 0.000 0.459 130 Y N 4.546 124.891 120.300 0.076 0.000 2.299 130 Y HA 0.482 5.032 4.550 -0.000 0.000 0.326 130 Y C -1.943 173.996 175.900 0.066 0.000 1.164 130 Y CA -1.224 56.914 58.100 0.065 0.000 1.234 130 Y CB 1.155 39.653 38.460 0.064 0.000 1.219 130 Y HN 0.476 nan 8.280 nan 0.000 0.497 131 P HA 0.112 nan 4.420 nan 0.000 0.255 131 P C 0.640 177.679 177.300 -0.435 0.000 1.248 131 P CA 0.851 63.291 63.100 -1.099 0.000 0.807 131 P CB 0.142 31.256 31.700 -0.976 0.000 1.150 132 A N 1.249 123.956 122.820 -0.189 0.000 1.917 132 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 132 A C 2.169 179.719 177.584 -0.057 0.000 1.182 132 A CA 2.488 54.472 52.037 -0.089 0.000 0.633 132 A CB -1.735 17.247 19.000 -0.030 0.000 0.819 132 A HN 0.201 nan 8.150 nan 0.000 0.448 133 V N -2.719 117.188 119.914 -0.013 0.000 3.078 133 V HA -0.098 4.022 4.120 -0.000 0.000 0.265 133 V C 2.171 178.290 176.094 0.042 0.000 1.122 133 V CA 2.074 64.397 62.300 0.038 0.000 1.141 133 V CB -1.053 30.832 31.823 0.104 0.000 0.735 133 V HN 0.460 nan 8.190 nan 0.000 0.498 134 S N 1.895 117.591 115.700 -0.006 0.000 2.353 134 S HA -0.083 4.387 4.470 -0.000 0.000 0.222 134 S C 0.442 175.054 174.600 0.020 0.000 1.035 134 S CA 2.213 60.431 58.200 0.030 0.000 1.025 134 S CB -1.227 61.939 63.200 -0.056 0.000 0.902 134 S HN 0.660 nan 8.310 nan 0.000 0.440 135 P HA -0.082 nan 4.420 nan 0.000 0.220 135 P C 1.057 178.360 177.300 0.004 0.000 1.148 135 P CA 1.240 64.337 63.100 -0.005 0.000 0.803 135 P CB -0.157 31.533 31.700 -0.017 0.000 0.782 136 Q N -0.694 119.111 119.800 0.008 0.000 2.163 136 Q HA 0.038 4.378 4.340 -0.000 0.000 0.198 136 Q C 2.417 178.432 176.000 0.025 0.000 0.954 136 Q CA 0.772 56.582 55.803 0.011 0.000 0.851 136 Q CB -0.536 28.205 28.738 0.004 0.000 0.928 136 Q HN 0.217 nan 8.270 nan 0.000 0.459 137 L N 0.204 121.453 121.223 0.044 0.000 2.046 137 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 137 L C 2.415 179.310 176.870 0.042 0.000 1.077 137 L CA 1.368 56.245 54.840 0.060 0.000 0.747 137 L CB -0.289 41.826 42.059 0.094 0.000 0.896 137 L HN 0.172 nan 8.230 nan 0.000 0.432 138 R N 0.152 120.669 120.500 0.029 0.000 2.073 138 R HA -0.143 4.197 4.340 -0.000 0.000 0.229 138 R C 1.835 178.139 176.300 0.008 0.000 1.120 138 R CA 1.528 57.634 56.100 0.011 0.000 0.967 138 R CB -0.371 29.934 30.300 0.008 0.000 0.862 138 R HN 0.515 nan 8.270 nan 0.000 0.436 139 D N -1.097 119.309 120.400 0.010 0.000 2.347 139 D HA -0.004 4.636 4.640 -0.000 0.000 0.215 139 D C 1.170 177.478 176.300 0.014 0.000 0.976 139 D CA 1.066 55.071 54.000 0.008 0.000 0.884 139 D CB 0.102 40.904 40.800 0.004 0.000 0.915 139 D HN 0.317 nan 8.370 nan 0.000 0.526 140 G N -0.284 108.529 108.800 0.022 0.000 2.176 140 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.232 140 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.232 140 G C 1.169 176.087 174.900 0.031 0.000 0.986 140 G CA 0.927 46.047 45.100 0.034 0.000 0.643 140 G HN 0.601 nan 8.290 nan 0.000 0.522 141 T N -2.119 112.445 114.554 0.017 0.000 2.915 141 T HA 0.378 4.728 4.350 -0.000 0.000 0.269 141 T C 0.886 175.587 174.700 0.002 0.000 1.071 141 T CA 1.338 63.441 62.100 0.006 0.000 1.132 141 T CB 0.369 69.235 68.868 -0.003 0.000 0.878 141 T HN 0.699 nan 8.240 nan 0.000 0.479 142 L N 1.780 123.009 121.223 0.009 0.000 2.325 142 L HA 0.456 4.796 4.340 -0.000 0.000 0.281 142 L C 0.225 177.113 176.870 0.030 0.000 1.004 142 L CA -0.526 54.313 54.840 -0.003 0.000 0.823 142 L CB 1.821 43.879 42.059 -0.002 0.000 1.236 142 L HN -0.092 nan 8.230 nan 0.000 0.415 143 D N 3.830 124.241 120.400 0.019 0.000 2.084 143 D HA -0.045 4.595 4.640 -0.000 0.000 0.196 143 D C 0.119 176.553 176.300 0.223 0.000 0.985 143 D CA 1.876 55.943 54.000 0.111 0.000 0.826 143 D CB 0.077 40.959 40.800 0.136 0.000 0.978 143 D HN 0.396 nan 8.370 nan 0.000 0.456 144 F N -1.440 118.576 119.950 0.108 0.000 2.685 144 F HA 0.740 5.267 4.527 -0.000 0.000 0.315 144 F C -1.480 174.418 175.800 0.164 0.000 1.126 144 F CA -1.698 56.362 58.000 0.100 0.000 0.950 144 F CB 1.439 40.461 39.000 0.037 0.000 1.360 144 F HN -0.129 nan 8.300 nan 0.000 0.469 145 A N 1.619 124.659 122.820 0.366 0.000 2.414 145 A HA 0.818 5.138 4.320 -0.000 0.000 0.306 145 A C -1.783 176.020 177.584 0.364 0.000 1.054 145 A CA -0.880 51.333 52.037 0.294 0.000 0.724 145 A CB 1.534 20.656 19.000 0.203 0.000 1.267 145 A HN 0.846 nan 8.150 nan 0.000 0.418 146 L N 2.026 123.456 121.223 0.345 0.000 2.301 146 L HA 0.668 5.008 4.340 -0.000 0.000 0.278 146 L C 0.093 177.087 176.870 0.207 0.000 1.022 146 L CA -0.171 54.837 54.840 0.279 0.000 0.854 146 L CB 1.345 43.584 42.059 0.300 0.000 1.226 146 L HN 0.773 nan 8.230 nan 0.000 0.429 147 T N 1.538 116.207 114.554 0.192 0.000 2.889 147 T HA 0.683 5.033 4.350 -0.000 0.000 0.315 147 T C -0.793 174.007 174.700 0.167 0.000 1.291 147 T CA -0.287 61.915 62.100 0.171 0.000 1.028 147 T CB 1.645 70.631 68.868 0.197 0.000 1.235 147 T HN 0.550 nan 8.240 nan 0.000 0.491 148 A N 1.816 124.715 122.820 0.132 0.000 2.462 148 A HA 0.778 5.098 4.320 -0.000 0.000 0.243 148 A C 0.494 178.132 177.584 0.089 0.000 1.076 148 A CA 0.338 52.436 52.037 0.101 0.000 0.773 148 A CB -0.422 18.605 19.000 0.045 0.000 1.010 148 A HN 1.634 nan 8.150 nan 0.000 0.493 149 A N 1.622 124.468 122.820 0.044 0.000 2.599 149 A HA 0.665 4.985 4.320 -0.000 0.000 0.290 149 A C -1.029 176.433 177.584 -0.203 0.000 1.101 149 A CA -0.743 51.223 52.037 -0.118 0.000 0.674 149 A CB 0.764 19.538 19.000 -0.377 0.000 1.277 149 A HN 0.894 nan 8.150 nan 0.000 0.419 150 H N 1.319 120.399 119.070 0.017 0.000 2.519 150 H HA 0.253 4.809 4.556 -0.000 0.000 0.316 150 H C 0.835 176.147 175.328 -0.027 0.000 1.065 150 H CA -0.170 55.910 56.048 0.053 0.000 1.264 150 H CB 1.949 31.754 29.762 0.071 0.000 1.413 150 H HN 0.901 nan 8.280 nan 0.000 0.465 151 K N 2.332 122.788 120.400 0.092 0.000 2.052 151 K HA -0.258 4.062 4.320 -0.000 0.000 0.215 151 K C 0.830 177.409 176.600 -0.035 0.000 1.053 151 K CA 1.822 58.072 56.287 -0.061 0.000 0.934 151 K CB 0.081 32.633 32.500 0.087 0.000 0.717 151 K HN 0.575 nan 8.250 nan 0.000 0.450 152 H N -0.330 118.736 119.070 -0.006 0.000 2.546 152 H HA 0.006 4.562 4.556 -0.000 0.000 0.277 152 H C 0.953 176.287 175.328 0.010 0.000 1.004 152 H CA 1.074 57.122 56.048 -0.001 0.000 1.231 152 H CB 0.196 29.965 29.762 0.011 0.000 1.382 152 H HN 0.292 nan 8.280 nan 0.000 0.580 153 D N -0.212 120.270 120.400 0.137 0.000 2.360 153 D HA 0.087 4.727 4.640 -0.000 0.000 0.210 153 D C 0.260 176.632 176.300 0.121 0.000 1.047 153 D CA 0.078 54.160 54.000 0.137 0.000 0.854 153 D CB 0.375 41.295 40.800 0.200 0.000 0.936 153 D HN 0.298 nan 8.370 nan 0.000 0.514 154 I N 1.554 122.109 120.570 -0.025 0.000 2.496 154 I HA -0.029 4.141 4.170 -0.000 0.000 0.285 154 I C 0.867 177.005 176.117 0.034 0.000 1.080 154 I CA -0.547 60.689 61.300 -0.106 0.000 1.404 154 I CB 0.530 38.325 38.000 -0.342 0.000 1.403 154 I HN -0.198 nan 8.210 nan 0.000 0.539 155 D N 4.783 125.274 120.400 0.152 0.000 2.629 155 D HA -0.099 4.541 4.640 -0.000 0.000 0.228 155 D C 1.181 177.529 176.300 0.080 0.000 1.127 155 D CA 0.479 54.554 54.000 0.125 0.000 0.855 155 D CB 1.026 41.921 40.800 0.158 0.000 1.180 155 D HN 0.597 nan 8.370 nan 0.000 0.484 156 T N 2.551 117.152 114.554 0.078 0.000 2.849 156 T HA -0.156 4.194 4.350 -0.000 0.000 0.270 156 T C 1.101 175.921 174.700 0.199 0.000 1.066 156 T CA 0.917 63.077 62.100 0.099 0.000 1.130 156 T CB -0.018 68.898 68.868 0.080 0.000 0.864 156 T HN 0.442 nan 8.240 nan 0.000 0.481 157 D N 0.744 121.217 120.400 0.122 0.000 2.309 157 D HA 0.046 4.686 4.640 -0.000 0.000 0.212 157 D C 0.475 176.725 176.300 -0.084 0.000 0.968 157 D CA 0.596 54.587 54.000 -0.015 0.000 0.882 157 D CB -0.057 40.717 40.800 -0.043 0.000 0.918 157 D HN 0.387 nan 8.370 nan 0.000 0.503 158 L N 0.803 122.081 121.223 0.091 0.000 2.325 158 L HA 0.321 4.661 4.340 -0.000 0.000 0.278 158 L C 0.482 177.432 176.870 0.133 0.000 1.023 158 L CA -0.772 54.114 54.840 0.077 0.000 0.811 158 L CB 2.165 44.253 42.059 0.048 0.000 1.249 158 L HN -0.200 nan 8.230 nan 0.000 0.431 159 E N 1.989 122.262 120.200 0.122 0.000 2.331 159 E HA 0.567 4.917 4.350 -0.000 0.000 0.272 159 E C -1.035 175.576 176.600 0.019 0.000 1.036 159 E CA -0.539 55.910 56.400 0.082 0.000 0.864 159 E CB 1.462 31.223 29.700 0.101 0.000 1.035 159 E HN 0.675 nan 8.360 nan 0.000 0.408 160 A N 4.851 127.661 122.820 -0.017 0.000 2.357 160 A HA 0.240 4.559 4.320 -0.000 0.000 0.295 160 A C -1.155 176.511 177.584 0.136 0.000 1.121 160 A CA -0.699 51.326 52.037 -0.021 0.000 0.742 160 A CB 1.371 20.171 19.000 -0.334 0.000 1.181 160 A HN 0.653 nan 8.150 nan 0.000 0.454 161 Q N 3.966 123.895 119.800 0.216 0.000 2.341 161 Q HA 0.490 4.830 4.340 -0.000 0.000 0.268 161 Q C -2.798 173.293 176.000 0.153 0.000 1.013 161 Q CA -2.021 53.880 55.803 0.163 0.000 0.798 161 Q CB 1.975 30.741 28.738 0.048 0.000 1.253 161 Q HN 0.386 nan 8.270 nan 0.000 0.457 162 P HA -0.059 nan 4.420 nan 0.000 0.265 162 P C -0.375 176.832 177.300 -0.154 0.000 1.193 162 P CA -0.013 62.912 63.100 -0.291 0.000 0.765 162 P CB 0.733 32.281 31.700 -0.255 0.000 0.823 163 L N 3.791 124.916 121.223 -0.164 0.000 2.586 163 L HA 0.458 4.798 4.340 -0.000 0.000 0.204 163 L C -0.543 176.370 176.870 0.070 0.000 1.053 163 L CA 0.907 55.729 54.840 -0.030 0.000 0.856 163 L CB 0.034 42.099 42.059 0.009 0.000 1.192 163 L HN 0.283 nan 8.230 nan 0.000 0.484 164 Y N -0.626 119.588 120.300 -0.142 0.000 2.482 164 Y HA 0.557 5.107 4.550 -0.000 0.000 0.334 164 Y C -1.463 174.362 175.900 -0.125 0.000 1.091 164 Y CA -1.517 56.522 58.100 -0.101 0.000 1.027 164 Y CB 1.555 39.981 38.460 -0.057 0.000 1.306 164 Y HN -0.285 nan 8.280 nan 0.000 0.446 165 V N 6.104 125.630 119.914 -0.647 0.000 2.348 165 V HA 0.384 4.504 4.120 -0.000 0.000 0.270 165 V C 0.070 175.676 176.094 -0.812 0.000 1.037 165 V CA -0.168 61.805 62.300 -0.545 0.000 0.872 165 V CB 0.559 32.173 31.823 -0.349 0.000 1.002 165 V HN 0.799 nan 8.190 nan 0.000 0.464 166 S N 3.577 119.011 115.700 -0.444 0.000 2.693 166 S HA 0.582 5.052 4.470 -0.000 0.000 0.276 166 S C -0.677 173.848 174.600 -0.123 0.000 1.192 166 S CA -0.826 57.236 58.200 -0.230 0.000 0.994 166 S CB 1.726 64.944 63.200 0.031 0.000 1.012 166 S HN 0.595 nan 8.310 nan 0.000 0.550 167 D N 0.040 120.427 120.400 -0.021 0.000 2.350 167 D HA 0.590 5.230 4.640 -0.000 0.000 0.245 167 D C -0.965 175.350 176.300 0.026 0.000 1.036 167 D CA -0.406 53.594 54.000 -0.000 0.000 0.848 167 D CB 1.883 42.697 40.800 0.025 0.000 1.307 167 D HN 0.391 nan 8.370 nan 0.000 0.469 168 V N 1.821 121.749 119.914 0.025 0.000 2.435 168 V HA 0.540 4.660 4.120 -0.000 0.000 0.290 168 V C 0.054 176.165 176.094 0.028 0.000 1.030 168 V CA -0.724 61.599 62.300 0.039 0.000 0.881 168 V CB 1.591 33.441 31.823 0.046 0.000 0.983 168 V HN 0.430 nan 8.190 nan 0.000 0.445 169 V N 3.166 123.094 119.914 0.024 0.000 2.823 169 V HA 0.676 4.796 4.120 -0.000 0.000 0.312 169 V C -0.501 175.591 176.094 -0.003 0.000 1.072 169 V CA -0.886 61.395 62.300 -0.032 0.000 0.937 169 V CB 1.949 33.687 31.823 -0.142 0.000 1.013 169 V HN 0.647 nan 8.190 nan 0.000 0.430 170 I N 3.342 123.908 120.570 -0.006 0.000 2.365 170 I HA 0.574 4.744 4.170 -0.000 0.000 0.291 170 I C -0.473 175.603 176.117 -0.067 0.000 1.004 170 I CA -0.408 60.928 61.300 0.061 0.000 1.311 170 I CB 1.696 39.779 38.000 0.137 0.000 1.401 170 I HN 0.492 nan 8.210 nan 0.000 0.491 171 V N 4.998 124.887 119.914 -0.041 0.000 2.789 171 V HA 0.849 4.969 4.120 -0.000 0.000 0.311 171 V C 0.223 176.256 176.094 -0.101 0.000 1.073 171 V CA -0.466 61.780 62.300 -0.090 0.000 0.921 171 V CB 1.793 33.614 31.823 -0.003 0.000 1.009 171 V HN 0.918 nan 8.190 nan 0.000 0.426 172 G N 2.232 110.966 108.800 -0.109 0.000 2.766 172 G HA2 0.615 4.575 3.960 -0.000 0.000 0.288 172 G HA3 0.615 4.575 3.960 -0.000 0.000 0.288 172 G C -0.981 173.925 174.900 0.010 0.000 1.408 172 G CA -0.762 44.266 45.100 -0.120 0.000 0.852 172 G HN 0.805 nan 8.290 nan 0.000 0.487 173 Q N -0.420 119.414 119.800 0.055 0.000 2.474 173 Q HA 0.243 4.583 4.340 -0.000 0.000 0.256 173 Q C 1.509 177.554 176.000 0.075 0.000 1.048 173 Q CA -0.007 55.827 55.803 0.052 0.000 0.922 173 Q CB 1.150 29.903 28.738 0.025 0.000 1.288 173 Q HN 0.644 nan 8.270 nan 0.000 0.484 174 R N 0.526 121.060 120.500 0.057 0.000 2.117 174 R HA -0.199 4.141 4.340 -0.000 0.000 0.243 174 R C 0.804 177.138 176.300 0.057 0.000 1.143 174 R CA 1.786 57.923 56.100 0.062 0.000 0.968 174 R CB 0.175 30.503 30.300 0.047 0.000 0.863 174 R HN 0.749 nan 8.270 nan 0.000 0.444 175 Q N -0.077 119.749 119.800 0.044 0.000 2.212 175 Q HA 0.021 4.361 4.340 -0.000 0.000 0.213 175 Q C -0.489 175.529 176.000 0.029 0.000 0.874 175 Q CA -0.037 55.782 55.803 0.028 0.000 0.965 175 Q CB 0.223 28.962 28.738 0.002 0.000 1.074 175 Q HN 0.392 nan 8.270 nan 0.000 0.473 176 H N 2.265 121.320 119.070 -0.026 0.000 3.001 176 H HA -0.020 4.536 4.556 -0.000 0.000 0.334 176 H C -1.491 173.816 175.328 -0.035 0.000 1.034 176 H CA -0.821 55.202 56.048 -0.041 0.000 1.420 176 H CB 1.198 30.925 29.762 -0.058 0.000 1.405 176 H HN -0.081 nan 8.280 nan 0.000 0.593 177 P HA -0.121 nan 4.420 nan 0.000 0.219 177 P C 1.027 178.371 177.300 0.073 0.000 1.146 177 P CA 1.116 64.170 63.100 -0.078 0.000 0.808 177 P CB 0.283 31.883 31.700 -0.166 0.000 0.779 178 M N -1.878 117.897 119.600 0.292 0.000 2.493 178 M HA 0.270 4.750 4.480 -0.000 0.000 0.244 178 M C 1.527 177.886 176.300 0.099 0.000 1.182 178 M CA -0.634 54.777 55.300 0.184 0.000 0.981 178 M CB -1.260 31.442 32.600 0.171 0.000 1.551 178 M HN -0.139 nan 8.290 nan 0.000 0.476 179 A N 1.172 124.056 122.820 0.107 0.000 2.024 179 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 179 A C 1.749 179.345 177.584 0.021 0.000 1.164 179 A CA 1.500 53.565 52.037 0.046 0.000 0.643 179 A CB -0.412 18.624 19.000 0.060 0.000 0.806 179 A HN 0.495 nan 8.150 nan 0.000 0.451 180 N N -0.105 118.610 118.700 0.025 0.000 2.270 180 N HA 0.257 4.997 4.740 -0.000 0.000 0.198 180 N C 0.448 175.963 175.510 0.008 0.000 1.117 180 N CA 0.657 53.715 53.050 0.015 0.000 0.845 180 N CB -0.060 38.436 38.487 0.016 0.000 0.980 180 N HN 0.456 nan 8.380 nan 0.000 0.486 181 A N 0.589 123.414 122.820 0.008 0.000 2.520 181 A HA 0.188 4.508 4.320 -0.000 0.000 0.235 181 A C 1.429 179.006 177.584 -0.011 0.000 1.065 181 A CA 0.516 52.553 52.037 0.001 0.000 0.764 181 A CB 0.225 19.229 19.000 0.005 0.000 1.002 181 A HN 0.353 nan 8.150 nan 0.000 0.502 182 T N -0.924 113.620 114.554 -0.018 0.000 2.978 182 T HA 0.260 4.610 4.350 -0.000 0.000 0.248 182 T C 0.666 175.336 174.700 -0.050 0.000 1.018 182 T CA -0.072 62.012 62.100 -0.026 0.000 1.026 182 T CB 0.180 69.037 68.868 -0.018 0.000 1.032 182 T HN 0.568 nan 8.240 nan 0.000 0.485 183 R N 0.526 120.989 120.500 -0.061 0.000 2.740 183 R HA 0.538 4.878 4.340 -0.000 0.000 0.282 183 R C 0.468 176.684 176.300 -0.140 0.000 0.969 183 R CA -0.964 55.069 56.100 -0.112 0.000 0.918 183 R CB 1.720 31.964 30.300 -0.092 0.000 1.175 183 R HN 0.052 nan 8.270 nan 0.000 0.464 184 L N 2.761 123.828 121.223 -0.260 0.000 2.079 184 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 184 L C 2.004 178.715 176.870 -0.266 0.000 1.081 184 L CA 2.337 57.013 54.840 -0.274 0.000 0.752 184 L CB -0.560 41.193 42.059 -0.511 0.000 0.896 184 L HN 0.895 nan 8.230 nan 0.000 0.433 185 A N -0.881 121.786 122.820 -0.255 0.000 1.986 185 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 185 A C 2.095 179.624 177.584 -0.091 0.000 1.171 185 A CA 1.904 53.826 52.037 -0.192 0.000 0.640 185 A CB -0.647 18.282 19.000 -0.119 0.000 0.811 185 A HN 0.647 nan 8.150 nan 0.000 0.451 186 E N -0.462 119.705 120.200 -0.054 0.000 2.338 186 E HA -0.059 4.291 4.350 -0.000 0.000 0.197 186 E C 1.069 177.701 176.600 0.052 0.000 1.007 186 E CA 0.650 57.050 56.400 0.000 0.000 0.849 186 E CB -0.172 29.527 29.700 -0.001 0.000 0.774 186 E HN 0.672 nan 8.360 nan 0.000 0.506 187 L N 0.955 122.233 121.223 0.093 0.000 2.640 187 L HA 0.052 4.392 4.340 -0.000 0.000 0.230 187 L C 2.301 179.415 176.870 0.408 0.000 1.123 187 L CA -0.052 54.931 54.840 0.239 0.000 0.900 187 L CB -0.138 42.148 42.059 0.379 0.000 1.146 187 L HN 0.120 nan 8.230 nan 0.000 0.484 188 Q N 0.279 120.224 119.800 0.242 0.000 2.364 188 Q HA -0.158 4.182 4.340 -0.000 0.000 0.209 188 Q C 0.889 177.154 176.000 0.442 0.000 0.977 188 Q CA 1.158 57.177 55.803 0.360 0.000 0.885 188 Q CB 0.071 28.847 28.738 0.064 0.000 0.941 188 Q HN 0.424 nan 8.270 nan 0.000 0.464 189 E N 0.136 120.505 120.200 0.283 0.000 2.481 189 E HA 0.125 4.475 4.350 -0.000 0.000 0.198 189 E C 0.294 176.997 176.600 0.172 0.000 1.027 189 E CA -0.094 56.430 56.400 0.207 0.000 0.900 189 E CB 0.337 30.110 29.700 0.120 0.000 0.993 189 E HN 0.292 nan 8.360 nan 0.000 0.482 190 C N 1.756 121.165 119.300 0.182 0.000 2.705 190 C HA 0.207 4.667 4.460 -0.000 0.000 0.382 190 C C 1.098 176.040 174.990 -0.080 0.000 1.322 190 C CA -0.354 58.655 59.018 -0.016 0.000 2.290 190 C CB 0.063 27.671 27.740 -0.220 0.000 2.650 190 C HN 0.174 nan 8.230 nan 0.000 0.695 191 R N 0.204 120.590 120.500 -0.189 0.000 2.428 191 R HA 0.367 4.707 4.340 -0.000 0.000 0.294 191 R C -1.494 174.602 176.300 -0.340 0.000 1.000 191 R CA -0.111 55.906 56.100 -0.137 0.000 0.960 191 R CB 1.063 31.320 30.300 -0.071 0.000 1.076 191 R HN 0.685 nan 8.270 nan 0.000 0.475 192 W N 0.381 121.650 121.300 -0.053 0.000 2.632 192 W HA 0.469 5.129 4.660 -0.000 0.000 0.328 192 W C -0.262 176.226 176.519 -0.051 0.000 1.044 192 W CA -0.649 56.693 57.345 -0.004 0.000 1.225 192 W CB 1.689 31.225 29.460 0.126 0.000 1.396 192 W HN 0.576 nan 8.180 nan 0.000 0.499 193 A N 3.801 126.759 122.820 0.229 0.000 2.343 193 A HA 0.436 4.756 4.320 -0.000 0.000 0.305 193 A C -0.951 176.838 177.584 0.343 0.000 1.308 193 A CA -0.442 51.695 52.037 0.167 0.000 0.949 193 A CB -0.441 18.612 19.000 0.089 0.000 1.148 193 A HN 0.431 nan 8.150 nan 0.000 0.545 194 F N 2.798 122.785 119.950 0.063 0.000 2.502 194 F HA 0.213 4.740 4.527 -0.000 0.000 0.371 194 F C 1.353 177.131 175.800 -0.036 0.000 1.083 194 F CA -0.350 57.658 58.000 0.013 0.000 1.174 194 F CB 0.402 39.390 39.000 -0.019 0.000 1.096 194 F HN 0.623 nan 8.300 nan 0.000 0.545 195 S N 1.652 117.416 115.700 0.106 0.000 2.713 195 S HA 0.586 5.056 4.470 -0.000 0.000 0.283 195 S C 0.007 174.561 174.600 -0.076 0.000 1.161 195 S CA -0.985 57.170 58.200 -0.074 0.000 0.999 195 S CB 1.314 64.494 63.200 -0.033 0.000 1.039 195 S HN 0.384 nan 8.310 nan 0.000 0.548 196 S N 0.665 116.236 115.700 -0.215 0.000 2.576 196 S HA 0.668 5.137 4.470 -0.000 0.000 0.276 196 S C 0.040 174.743 174.600 0.172 0.000 1.339 196 S CA -0.127 58.064 58.200 -0.016 0.000 1.039 196 S CB 0.480 63.667 63.200 -0.020 0.000 0.902 196 S HN 1.207 nan 8.310 nan 0.000 0.516 197 A N 3.415 126.311 122.820 0.126 0.000 2.604 197 A HA 0.687 5.007 4.320 -0.000 0.000 0.295 197 A C -2.572 175.093 177.584 0.135 0.000 1.067 197 A CA -1.332 50.791 52.037 0.144 0.000 0.683 197 A CB 0.388 19.448 19.000 0.100 0.000 1.281 197 A HN 0.485 nan 8.150 nan 0.000 0.407 198 P HA -0.156 nan 4.420 nan 0.000 0.217 198 P C 1.021 178.426 177.300 0.176 0.000 1.151 198 P CA 1.436 64.665 63.100 0.216 0.000 0.849 198 P CB 0.147 32.019 31.700 0.287 0.000 0.787 199 R N -1.334 119.260 120.500 0.157 0.000 2.320 199 R HA 0.381 4.721 4.340 -0.000 0.000 0.211 199 R C 0.684 176.995 176.300 0.019 0.000 0.931 199 R CA 0.352 56.497 56.100 0.075 0.000 1.071 199 R CB -0.023 30.297 30.300 0.033 0.000 1.025 199 R HN 0.215 nan 8.270 nan 0.000 0.495 200 G N 1.024 109.836 108.800 0.021 0.000 2.440 200 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.684 200 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.684 200 G C -3.004 171.878 174.900 -0.030 0.000 1.309 200 G CA -1.420 43.678 45.100 -0.004 0.000 0.931 200 G HN -0.166 nan 8.290 nan 0.000 0.612 201 P HA 0.371 nan 4.420 nan 0.000 0.264 201 P C 1.151 178.335 177.300 -0.193 0.000 1.193 201 P CA 1.964 65.055 63.100 -0.016 0.000 0.763 201 P CB 0.766 32.519 31.700 0.089 0.000 0.810 202 G N 2.818 111.421 108.800 -0.328 0.000 2.168 202 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.263 202 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.263 202 G C 1.177 175.668 174.900 -0.682 0.000 0.977 202 G CA 0.469 45.031 45.100 -0.896 0.000 0.659 202 G HN 0.683 nan 8.290 nan 0.000 0.533 203 A N -0.069 122.546 122.820 -0.341 0.000 1.940 203 A HA 0.144 4.464 4.320 -0.000 0.000 0.219 203 A C 2.371 179.841 177.584 -0.190 0.000 1.176 203 A CA 1.852 53.753 52.037 -0.227 0.000 0.631 203 A CB -0.304 18.643 19.000 -0.087 0.000 0.814 203 A HN 0.791 nan 8.150 nan 0.000 0.446 204 I N -1.137 119.345 120.570 -0.147 0.000 2.179 204 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 204 I C 2.333 178.355 176.117 -0.158 0.000 1.088 204 I CA 1.392 62.639 61.300 -0.088 0.000 1.357 204 I CB -0.241 37.746 38.000 -0.021 0.000 1.051 204 I HN 0.349 nan 8.210 nan 0.000 0.409 205 I N 0.775 121.156 120.570 -0.315 0.000 2.439 205 I HA -0.175 3.995 4.170 -0.000 0.000 0.251 205 I C 2.555 178.398 176.117 -0.456 0.000 1.139 205 I CA 1.420 62.444 61.300 -0.460 0.000 1.438 205 I CB -0.409 37.055 38.000 -0.893 0.000 1.085 205 I HN 0.034 nan 8.210 nan 0.000 0.427 206 R N 0.178 120.392 120.500 -0.476 0.000 2.075 206 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 206 R C 1.944 178.174 176.300 -0.115 0.000 1.126 206 R CA 1.494 57.395 56.100 -0.332 0.000 0.963 206 R CB -0.503 29.588 30.300 -0.347 0.000 0.858 206 R HN 0.402 nan 8.270 nan 0.000 0.435 207 N N 0.684 119.320 118.700 -0.106 0.000 2.244 207 N HA -0.090 4.650 4.740 -0.000 0.000 0.183 207 N C 1.600 177.132 175.510 0.037 0.000 1.016 207 N CA 1.270 54.299 53.050 -0.035 0.000 0.866 207 N CB -0.160 38.296 38.487 -0.052 0.000 0.980 207 N HN 0.209 nan 8.380 nan 0.000 0.430 208 A N 0.702 123.567 122.820 0.075 0.000 1.873 208 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 208 A C 1.966 179.741 177.584 0.319 0.000 1.186 208 A CA 0.829 52.991 52.037 0.207 0.000 0.616 208 A CB -0.824 18.288 19.000 0.187 0.000 0.823 208 A HN 0.094 nan 8.150 nan 0.000 0.442 209 F N 0.423 120.365 119.950 -0.013 0.000 2.095 209 F HA -0.182 4.346 4.527 0.000 0.000 0.298 209 F C 2.836 178.661 175.800 0.042 0.000 1.104 209 F CA 0.843 58.849 58.000 0.011 0.000 1.232 209 F CB -0.865 38.096 39.000 -0.064 0.000 0.987 209 F HN 0.268 nan 8.300 nan 0.000 0.475 210 A N -0.116 122.817 122.820 0.188 0.000 1.877 210 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 210 A C 2.355 179.959 177.584 0.035 0.000 1.186 210 A CA 1.739 53.828 52.037 0.086 0.000 0.620 210 A CB -0.687 18.335 19.000 0.037 0.000 0.822 210 A HN 0.333 nan 8.150 nan 0.000 0.443 211 R N -2.186 118.318 120.500 0.008 0.000 2.148 211 R HA -0.095 4.245 4.340 -0.000 0.000 0.227 211 R C 1.057 177.240 176.300 -0.195 0.000 1.103 211 R CA 1.331 57.363 56.100 -0.114 0.000 0.983 211 R CB -0.297 29.894 30.300 -0.182 0.000 0.874 211 R HN 0.660 nan 8.270 nan 0.000 0.451 212 Y N -0.232 120.044 120.300 -0.040 0.000 2.462 212 Y HA 0.159 4.708 4.550 -0.000 0.000 0.293 212 Y C 1.409 177.265 175.900 -0.073 0.000 1.195 212 Y CA 0.536 58.595 58.100 -0.068 0.000 1.276 212 Y CB 0.526 38.922 38.460 -0.108 0.000 1.082 212 Y HN 0.257 nan 8.280 nan 0.000 0.514 213 G N 0.371 109.194 108.800 0.039 0.000 2.143 213 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.248 213 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.248 213 G C -0.035 174.877 174.900 0.019 0.000 0.991 213 G CA 0.161 45.273 45.100 0.020 0.000 0.689 213 G HN 0.290 nan 8.290 nan 0.000 0.522 214 L N 0.187 121.419 121.223 0.015 0.000 2.387 214 L HA 0.575 4.915 4.340 -0.000 0.000 0.266 214 L C -1.238 175.700 176.870 0.113 0.000 1.059 214 L CA -2.471 52.369 54.840 -0.001 0.000 0.801 214 L CB 0.563 42.482 42.059 -0.233 0.000 1.223 214 L HN -0.090 nan 8.230 nan 0.000 0.456 215 P HA 0.052 nan 4.420 nan 0.000 0.274 215 P C -0.715 176.746 177.300 0.269 0.000 1.264 215 P CA -0.547 62.657 63.100 0.175 0.000 0.795 215 P CB 0.303 32.094 31.700 0.153 0.000 1.064 216 E N 1.069 121.371 120.200 0.171 0.000 2.442 216 E HA 0.043 4.393 4.350 -0.000 0.000 0.262 216 E C -1.821 174.838 176.600 0.099 0.000 1.004 216 E CA -0.927 55.543 56.400 0.115 0.000 0.928 216 E CB -0.600 29.147 29.700 0.078 0.000 0.937 216 E HN 0.347 nan 8.360 nan 0.000 0.446 217 P HA 0.038 nan 4.420 nan 0.000 0.272 217 P C -0.577 176.736 177.300 0.021 0.000 1.223 217 P CA -0.002 62.837 63.100 -0.434 0.000 0.784 217 P CB 0.644 31.587 31.700 -1.261 0.000 0.923 218 K N 1.712 122.224 120.400 0.187 0.000 2.297 218 K HA 0.250 4.570 4.320 -0.000 0.000 0.286 218 K C 0.005 176.639 176.600 0.057 0.000 1.053 218 K CA -0.823 55.544 56.287 0.135 0.000 0.940 218 K CB 0.358 32.946 32.500 0.146 0.000 1.019 218 K HN 0.335 nan 8.250 nan 0.000 0.475 219 L N 3.364 124.488 121.223 -0.164 0.000 2.315 219 L HA 0.173 4.513 4.340 -0.000 0.000 0.283 219 L C 0.932 177.643 176.870 -0.266 0.000 1.089 219 L CA 0.676 55.224 54.840 -0.487 0.000 0.833 219 L CB 0.795 42.481 42.059 -0.622 0.000 1.170 219 L HN 0.810 nan 8.230 nan 0.000 0.442 220 G N 5.491 114.155 108.800 -0.227 0.000 2.524 220 G HA2 0.300 4.260 3.960 -0.000 0.000 0.210 220 G HA3 0.300 4.260 3.960 -0.000 0.000 0.210 220 G C -0.091 174.724 174.900 -0.142 0.000 1.187 220 G CA 0.845 45.866 45.100 -0.132 0.000 0.825 220 G HN 0.657 nan 8.290 nan 0.000 0.558 221 L N -3.031 118.095 121.223 -0.162 0.000 2.765 221 L HA 0.774 5.114 4.340 -0.000 0.000 0.263 221 L C -1.254 175.543 176.870 -0.122 0.000 1.068 221 L CA -1.368 53.393 54.840 -0.131 0.000 0.903 221 L CB 1.758 43.774 42.059 -0.072 0.000 1.512 221 L HN -0.154 nan 8.230 nan 0.000 0.404 222 V N 0.519 120.393 119.914 -0.067 0.000 2.370 222 V HA 0.492 4.612 4.120 -0.000 0.000 0.283 222 V C -0.555 175.533 176.094 -0.010 0.000 1.023 222 V CA -0.261 62.043 62.300 0.007 0.000 0.857 222 V CB 1.237 33.076 31.823 0.027 0.000 0.985 222 V HN 0.925 nan 8.190 nan 0.000 0.443 223 C N 5.016 124.308 119.300 -0.014 0.000 2.362 223 C HA 0.439 4.899 4.460 -0.000 0.000 0.309 223 C C 1.292 176.191 174.990 -0.152 0.000 1.110 223 C CA -0.422 58.554 59.018 -0.070 0.000 1.485 223 C CB -0.260 27.441 27.740 -0.065 0.000 1.949 223 C HN 1.042 nan 8.230 nan 0.000 0.419 224 E N 1.662 121.783 120.200 -0.131 0.000 2.358 224 E HA -0.039 4.311 4.350 -0.000 0.000 0.195 224 E C 0.892 177.347 176.600 -0.242 0.000 1.010 224 E CA 0.316 56.608 56.400 -0.180 0.000 0.856 224 E CB 0.288 29.938 29.700 -0.084 0.000 0.795 224 E HN 0.632 nan 8.360 nan 0.000 0.504 225 S N 0.006 115.602 115.700 -0.173 0.000 2.422 225 S HA 0.092 4.562 4.470 -0.000 0.000 0.283 225 S C 0.399 174.923 174.600 -0.126 0.000 1.163 225 S CA -0.544 57.596 58.200 -0.100 0.000 1.054 225 S CB 0.083 63.265 63.200 -0.030 0.000 0.967 225 S HN 0.050 nan 8.310 nan 0.000 0.499 226 F N 3.925 123.903 119.950 0.046 0.000 2.407 226 F HA 0.065 4.592 4.527 -0.000 0.000 0.299 226 F C 1.732 177.566 175.800 0.058 0.000 1.097 226 F CA 0.328 58.361 58.000 0.056 0.000 1.422 226 F CB -0.317 38.719 39.000 0.060 0.000 1.067 226 F HN 0.583 nan 8.300 nan 0.000 0.539 227 L N 0.373 121.718 121.223 0.204 0.000 2.046 227 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 227 L C 2.306 179.252 176.870 0.126 0.000 1.077 227 L CA 2.089 57.020 54.840 0.151 0.000 0.747 227 L CB -0.981 41.142 42.059 0.107 0.000 0.896 227 L HN 0.029 nan 8.230 nan 0.000 0.432 228 A N -1.201 121.665 122.820 0.076 0.000 2.021 228 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 228 A C 2.136 179.720 177.584 0.000 0.000 1.163 228 A CA 1.125 53.181 52.037 0.031 0.000 0.676 228 A CB -0.763 18.238 19.000 0.001 0.000 0.818 228 A HN 0.452 nan 8.150 nan 0.000 0.453 229 L N 0.701 121.942 121.223 0.031 0.000 1.989 229 L HA -0.076 4.264 4.340 -0.000 0.000 0.211 229 L C -0.750 176.125 176.870 0.008 0.000 1.071 229 L CA 2.536 57.391 54.840 0.025 0.000 0.749 229 L CB -1.174 40.929 42.059 0.074 0.000 0.890 229 L HN 0.162 nan 8.230 nan 0.000 0.431 230 P HA -0.111 nan 4.420 nan 0.000 0.215 230 P C 1.618 178.741 177.300 -0.294 0.000 1.157 230 P CA 1.861 64.971 63.100 0.017 0.000 0.868 230 P CB -0.427 31.375 31.700 0.170 0.000 0.788 231 G N -0.373 108.026 108.800 -0.670 0.000 2.418 231 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 231 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 231 G C 1.647 176.256 174.900 -0.485 0.000 1.158 231 G CA 0.706 44.973 45.100 -1.389 0.000 0.771 231 G HN 0.144 nan 8.290 nan 0.000 0.545 232 V N 0.576 120.345 119.914 -0.243 0.000 2.287 232 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 232 V C 3.045 179.095 176.094 -0.073 0.000 1.053 232 V CA 1.665 63.904 62.300 -0.102 0.000 1.027 232 V CB -0.492 31.292 31.823 -0.066 0.000 0.646 232 V HN 0.255 nan 8.190 nan 0.000 0.447 233 V N 0.232 120.095 119.914 -0.085 0.000 2.358 233 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 233 V C 2.683 178.729 176.094 -0.080 0.000 1.047 233 V CA 1.869 64.136 62.300 -0.055 0.000 1.035 233 V CB -1.132 30.679 31.823 -0.020 0.000 0.658 233 V HN 0.563 nan 8.190 nan 0.000 0.452 234 A N -1.270 121.449 122.820 -0.168 0.000 2.019 234 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 234 A C 1.820 179.194 177.584 -0.350 0.000 1.164 234 A CA 1.491 53.388 52.037 -0.234 0.000 0.644 234 A CB -0.557 18.268 19.000 -0.291 0.000 0.805 234 A HN 0.701 nan 8.150 nan 0.000 0.449 235 H N -0.677 118.344 119.070 -0.082 0.000 2.487 235 H HA 0.268 4.824 4.556 -0.000 0.000 0.290 235 H C 0.252 175.559 175.328 -0.036 0.000 1.081 235 H CA 0.654 56.677 56.048 -0.042 0.000 1.116 235 H CB 0.001 29.733 29.762 -0.050 0.000 1.560 235 H HN 0.632 nan 8.280 nan 0.000 0.548 236 S N -0.952 114.761 115.700 0.022 0.000 2.794 236 S HA 0.240 4.710 4.470 -0.000 0.000 0.299 236 S C -0.038 174.565 174.600 0.005 0.000 1.179 236 S CA -0.836 57.370 58.200 0.010 0.000 0.838 236 S CB 2.259 65.458 63.200 -0.001 0.000 1.206 236 S HN -0.052 nan 8.310 nan 0.000 0.523 237 D N 0.457 120.855 120.400 -0.004 0.000 2.368 237 D HA 0.349 4.989 4.640 -0.000 0.000 0.218 237 D C -0.022 176.324 176.300 0.078 0.000 1.112 237 D CA 0.027 54.038 54.000 0.018 0.000 0.834 237 D CB -0.021 40.721 40.800 -0.095 0.000 0.953 237 D HN 0.393 nan 8.370 nan 0.000 0.505 238 L N 0.940 122.158 121.223 -0.009 0.000 2.439 238 L HA 0.218 4.558 4.340 -0.000 0.000 0.269 238 L C 0.610 177.366 176.870 -0.189 0.000 1.179 238 L CA -0.179 54.602 54.840 -0.099 0.000 0.828 238 L CB 0.922 42.941 42.059 -0.067 0.000 1.106 238 L HN -0.259 nan 8.230 nan 0.000 0.467 239 L N 1.563 122.517 121.223 -0.449 0.000 2.375 239 L HA 0.611 4.951 4.340 -0.000 0.000 0.268 239 L C 0.197 176.977 176.870 -0.150 0.000 1.058 239 L CA -0.188 54.317 54.840 -0.559 0.000 0.803 239 L CB 1.786 43.097 42.059 -1.247 0.000 1.212 239 L HN 0.596 nan 8.230 nan 0.000 0.451 240 T N -0.486 114.125 114.554 0.096 0.000 2.812 240 T HA 0.558 4.908 4.350 -0.000 0.000 0.294 240 T C -0.907 174.021 174.700 0.379 0.000 1.159 240 T CA -0.380 61.932 62.100 0.352 0.000 1.008 240 T CB 1.904 70.898 68.868 0.211 0.000 1.289 240 T HN 0.764 nan 8.240 nan 0.000 0.514 241 T N 0.694 115.437 114.554 0.314 0.000 2.885 241 T HA 0.798 5.148 4.350 -0.000 0.000 0.285 241 T C -0.297 174.549 174.700 0.244 0.000 1.019 241 T CA -0.859 61.374 62.100 0.222 0.000 1.010 241 T CB 1.172 70.126 68.868 0.144 0.000 1.022 241 T HN 0.896 nan 8.240 nan 0.000 0.466 242 M N -0.141 119.579 119.600 0.200 0.000 2.578 242 M HA 0.649 5.129 4.480 -0.000 0.000 0.276 242 M C -3.300 173.058 176.300 0.098 0.000 1.245 242 M CA -2.320 53.113 55.300 0.220 0.000 0.871 242 M CB 1.704 34.463 32.600 0.266 0.000 1.722 242 M HN 0.216 nan 8.290 nan 0.000 0.473 243 P HA 0.125 nan 4.420 nan 0.000 0.266 243 P C -0.150 177.195 177.300 0.075 0.000 1.195 243 P CA -0.048 63.055 63.100 0.005 0.000 0.768 243 P CB 0.556 32.206 31.700 -0.084 0.000 0.838 244 R N 1.840 122.401 120.500 0.102 0.000 2.105 244 R HA -0.138 4.202 4.340 -0.000 0.000 0.239 244 R C 1.420 177.823 176.300 0.171 0.000 1.135 244 R CA 2.021 58.218 56.100 0.161 0.000 0.967 244 R CB -0.741 29.643 30.300 0.139 0.000 0.861 244 R HN 0.423 nan 8.270 nan 0.000 0.442 245 T N 1.606 116.226 114.554 0.110 0.000 2.720 245 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 245 T C 1.613 176.344 174.700 0.052 0.000 1.037 245 T CA 1.388 63.527 62.100 0.064 0.000 1.144 245 T CB -0.233 68.648 68.868 0.022 0.000 0.864 245 T HN 0.177 nan 8.240 nan 0.000 0.444 246 L N 0.300 121.554 121.223 0.051 0.000 2.093 246 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 246 L C 2.128 179.077 176.870 0.132 0.000 1.085 246 L CA 1.566 56.445 54.840 0.065 0.000 0.755 246 L CB -0.891 41.187 42.059 0.031 0.000 0.904 246 L HN 0.292 nan 8.230 nan 0.000 0.435 247 Y N 0.756 121.085 120.300 0.049 0.000 2.165 247 Y HA -0.238 4.312 4.550 -0.000 0.000 0.286 247 Y C 2.309 178.242 175.900 0.054 0.000 1.155 247 Y CA 2.207 60.344 58.100 0.061 0.000 1.164 247 Y CB -0.204 38.290 38.460 0.057 0.000 0.978 247 Y HN 0.410 nan 8.280 nan 0.000 0.513 248 E N -0.146 120.000 120.200 -0.089 0.000 2.285 248 E HA -0.037 4.313 4.350 -0.000 0.000 0.194 248 E C 0.368 176.899 176.600 -0.116 0.000 0.997 248 E CA 0.526 56.829 56.400 -0.162 0.000 0.845 248 E CB 0.087 29.770 29.700 -0.028 0.000 0.782 248 E HN 0.333 nan 8.360 nan 0.000 0.491 249 R N 1.350 121.818 120.500 -0.053 0.000 2.585 249 R HA 0.214 4.554 4.340 -0.000 0.000 0.278 249 R C -1.078 175.227 176.300 0.009 0.000 1.663 249 R CA -0.321 55.763 56.100 -0.026 0.000 1.592 249 R CB 0.371 30.663 30.300 -0.014 0.000 1.200 249 R HN 0.143 nan 8.270 nan 0.000 0.611 250 N N -1.586 117.120 118.700 0.011 0.000 2.732 250 N HA 0.335 5.075 4.740 -0.000 0.000 0.259 250 N C -0.119 175.425 175.510 0.056 0.000 1.402 250 N CA -0.915 52.183 53.050 0.080 0.000 0.829 250 N CB 1.189 39.766 38.487 0.150 0.000 1.495 250 N HN 0.019 nan 8.380 nan 0.000 0.511 251 A N -0.694 122.178 122.820 0.086 0.000 2.238 251 A HA 0.269 4.589 4.320 -0.000 0.000 0.208 251 A C -0.028 177.339 177.584 -0.361 0.000 1.177 251 A CA 0.315 52.262 52.037 -0.149 0.000 0.804 251 A CB -0.846 18.005 19.000 -0.249 0.000 0.823 251 A HN 0.560 nan 8.150 nan 0.000 0.482 252 F N -0.569 119.389 119.950 0.012 0.000 2.791 252 F HA 0.264 4.791 4.527 -0.000 0.000 0.308 252 F C 1.488 177.279 175.800 -0.016 0.000 1.138 252 F CA -0.400 57.606 58.000 0.010 0.000 1.294 252 F CB 0.423 39.441 39.000 0.030 0.000 0.975 252 F HN 0.032 nan 8.300 nan 0.000 0.512 253 K N 0.260 120.690 120.400 0.050 0.000 2.063 253 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 253 K C 1.110 177.708 176.600 -0.004 0.000 1.048 253 K CA 1.679 57.949 56.287 -0.028 0.000 0.928 253 K CB -0.106 32.333 32.500 -0.101 0.000 0.713 253 K HN 0.166 nan 8.250 nan 0.000 0.442 254 D N 0.807 121.207 120.400 0.000 0.000 2.309 254 D HA -0.132 4.508 4.640 -0.000 0.000 0.212 254 D C 1.098 177.421 176.300 0.037 0.000 0.968 254 D CA 1.185 55.191 54.000 0.010 0.000 0.882 254 D CB 0.080 40.877 40.800 -0.004 0.000 0.918 254 D HN 0.347 nan 8.370 nan 0.000 0.503 255 Q N -0.602 119.240 119.800 0.069 0.000 2.194 255 Q HA 0.310 4.650 4.340 -0.000 0.000 0.214 255 Q C -0.036 176.006 176.000 0.071 0.000 0.838 255 Q CA -0.008 55.832 55.803 0.062 0.000 0.972 255 Q CB 1.264 30.041 28.738 0.065 0.000 1.131 255 Q HN 0.153 nan 8.270 nan 0.000 0.498 256 L N -0.376 120.913 121.223 0.110 0.000 2.388 256 L HA 0.602 4.942 4.340 -0.000 0.000 0.264 256 L C -1.061 175.946 176.870 0.230 0.000 0.998 256 L CA -0.977 53.962 54.840 0.166 0.000 0.817 256 L CB 2.433 44.633 42.059 0.236 0.000 1.338 256 L HN -0.048 nan 8.230 nan 0.000 0.414 257 C N 0.759 120.186 119.300 0.211 0.000 2.535 257 C HA 0.507 4.967 4.460 -0.000 0.000 0.319 257 C C 0.321 175.330 174.990 0.031 0.000 1.171 257 C CA -0.931 58.206 59.018 0.198 0.000 1.394 257 C CB 1.849 29.653 27.740 0.107 0.000 1.990 257 C HN 0.893 nan 8.230 nan 0.000 0.466 258 S N 2.780 118.375 115.700 -0.175 0.000 2.593 258 S HA 0.643 5.113 4.470 -0.000 0.000 0.269 258 S C -0.571 173.929 174.600 -0.168 0.000 1.334 258 S CA -0.274 57.671 58.200 -0.426 0.000 1.015 258 S CB 0.374 63.096 63.200 -0.795 0.000 0.912 258 S HN 0.596 nan 8.310 nan 0.000 0.541 259 I N 2.658 123.141 120.570 -0.144 0.000 2.388 259 I HA 0.289 4.459 4.170 -0.000 0.000 0.281 259 I C -2.193 173.888 176.117 -0.061 0.000 1.046 259 I CA -2.213 59.041 61.300 -0.077 0.000 1.187 259 I CB 1.431 39.388 38.000 -0.072 0.000 1.351 259 I HN 0.511 nan 8.210 nan 0.000 0.472 260 P HA 0.200 nan 4.420 nan 0.000 0.252 260 P C -0.191 177.095 177.300 -0.024 0.000 1.727 260 P CA -0.109 62.971 63.100 -0.032 0.000 1.134 260 P CB 0.074 31.763 31.700 -0.018 0.000 1.876 261 L N 1.998 123.204 121.223 -0.028 0.000 2.483 261 L HA 0.053 4.393 4.340 -0.000 0.000 0.276 261 L C 1.998 178.849 176.870 -0.032 0.000 1.213 261 L CA 0.041 54.858 54.840 -0.038 0.000 0.843 261 L CB 0.182 42.205 42.059 -0.060 0.000 1.107 261 L HN 0.262 nan 8.230 nan 0.000 0.487 262 Q N 0.238 120.019 119.800 -0.033 0.000 2.435 262 Q HA -0.036 4.304 4.340 -0.000 0.000 0.207 262 Q C -0.483 175.507 176.000 -0.016 0.000 0.956 262 Q CA 0.399 56.192 55.803 -0.017 0.000 0.917 262 Q CB 0.211 28.943 28.738 -0.010 0.000 0.997 262 Q HN 0.560 nan 8.270 nan 0.000 0.497 263 D N 0.806 121.164 120.400 -0.070 0.000 2.317 263 D HA 0.239 4.879 4.640 -0.000 0.000 0.252 263 D C -0.551 175.742 176.300 -0.012 0.000 1.174 263 D CA 0.047 53.989 54.000 -0.097 0.000 0.866 263 D CB 1.106 41.615 40.800 -0.485 0.000 1.127 263 D HN 0.116 nan 8.370 nan 0.000 0.467 264 A N 3.343 126.242 122.820 0.133 0.000 2.425 264 A HA 0.423 4.743 4.320 -0.000 0.000 0.249 264 A C 0.182 177.858 177.584 0.152 0.000 1.084 264 A CA -0.255 51.852 52.037 0.116 0.000 0.781 264 A CB 0.290 19.354 19.000 0.106 0.000 1.019 264 A HN 0.593 nan 8.150 nan 0.000 0.490 265 L N 2.095 123.371 121.223 0.089 0.000 2.332 265 L HA 0.467 4.807 4.340 -0.000 0.000 0.269 265 L C -2.024 174.887 176.870 0.068 0.000 1.016 265 L CA -2.105 52.790 54.840 0.091 0.000 0.809 265 L CB 0.926 43.021 42.059 0.059 0.000 1.280 265 L HN 0.472 nan 8.230 nan 0.000 0.447 266 P HA 0.169 nan 4.420 nan 0.000 0.272 266 P C -1.360 175.953 177.300 0.023 0.000 1.240 266 P CA -0.362 62.766 63.100 0.046 0.000 0.791 266 P CB 0.354 32.092 31.700 0.064 0.000 0.978 267 N N 0.880 119.581 118.700 0.002 0.000 2.706 267 N HA 0.315 5.055 4.740 -0.000 0.000 0.240 267 N C -2.625 172.858 175.510 -0.046 0.000 1.039 267 N CA -1.255 51.774 53.050 -0.035 0.000 0.888 267 N CB 0.255 38.704 38.487 -0.064 0.000 1.128 267 N HN 0.248 nan 8.380 nan 0.000 0.512 268 P HA 0.073 nan 4.420 nan 0.000 0.271 268 P C -0.536 176.712 177.300 -0.086 0.000 1.216 268 P CA -0.005 63.065 63.100 -0.049 0.000 0.771 268 P CB 0.640 32.322 31.700 -0.031 0.000 0.864 269 T N 4.432 118.928 114.554 -0.096 0.000 2.761 269 T HA 0.327 4.677 4.350 -0.000 0.000 0.296 269 T C 0.615 175.200 174.700 -0.191 0.000 0.934 269 T CA -0.181 61.791 62.100 -0.213 0.000 1.091 269 T CB -0.124 68.543 68.868 -0.335 0.000 0.896 269 T HN 0.195 nan 8.240 nan 0.000 0.515 270 I N 3.887 124.354 120.570 -0.173 0.000 2.371 270 I HA 0.298 4.468 4.170 -0.000 0.000 0.290 270 I C -0.448 175.565 176.117 -0.173 0.000 1.028 270 I CA -0.513 60.760 61.300 -0.045 0.000 1.345 270 I CB 0.377 38.424 38.000 0.080 0.000 1.407 270 I HN 0.580 nan 8.210 nan 0.000 0.501 271 Y N 4.380 124.691 120.300 0.018 0.000 2.487 271 Y HA 0.462 5.012 4.550 -0.000 0.000 0.337 271 Y C 0.019 175.940 175.900 0.035 0.000 1.076 271 Y CA -1.027 57.076 58.100 0.006 0.000 1.115 271 Y CB 1.696 40.134 38.460 -0.037 0.000 1.235 271 Y HN 0.129 nan 8.280 nan 0.000 0.468 272 V N 4.723 124.751 119.914 0.189 0.000 2.408 272 V HA 0.209 4.329 4.120 -0.000 0.000 0.267 272 V C -0.155 176.027 176.094 0.145 0.000 1.047 272 V CA -0.415 61.964 62.300 0.132 0.000 0.937 272 V CB -0.159 31.657 31.823 -0.011 0.000 0.999 272 V HN 0.493 nan 8.190 nan 0.000 0.472 273 L N 7.075 128.401 121.223 0.171 0.000 2.334 273 L HA 0.870 5.210 4.340 -0.000 0.000 0.276 273 L C 0.103 177.071 176.870 0.163 0.000 1.014 273 L CA -0.668 54.244 54.840 0.120 0.000 0.815 273 L CB 1.785 43.896 42.059 0.087 0.000 1.268 273 L HN 0.811 nan 8.230 nan 0.000 0.428 274 R N 1.136 121.707 120.500 0.119 0.000 2.774 274 R HA 0.422 4.762 4.340 -0.000 0.000 0.279 274 R C -1.485 174.859 176.300 0.073 0.000 1.022 274 R CA -1.174 55.002 56.100 0.127 0.000 0.855 274 R CB 1.170 31.563 30.300 0.156 0.000 1.279 274 R HN 0.443 nan 8.270 nan 0.000 0.485 275 R N 1.102 121.629 120.500 0.044 0.000 2.449 275 R HA 0.064 4.404 4.340 -0.000 0.000 0.296 275 R C 0.805 177.084 176.300 -0.036 0.000 1.047 275 R CA 0.272 56.340 56.100 -0.054 0.000 1.018 275 R CB 0.181 30.446 30.300 -0.060 0.000 0.962 275 R HN 0.753 nan 8.270 nan 0.000 0.428 276 H N 1.074 120.170 119.070 0.044 0.000 2.423 276 H HA -0.119 4.437 4.556 -0.000 0.000 0.297 276 H C 1.028 176.381 175.328 0.042 0.000 1.075 276 H CA 1.670 57.740 56.048 0.036 0.000 1.342 276 H CB -0.186 29.588 29.762 0.020 0.000 1.395 276 H HN 0.787 nan 8.280 nan 0.000 0.530 277 D N 0.289 120.696 120.400 0.013 0.000 2.312 277 D HA -0.084 4.556 4.640 -0.000 0.000 0.211 277 D C 0.474 176.812 176.300 0.064 0.000 0.964 277 D CA 0.177 54.228 54.000 0.085 0.000 0.877 277 D CB -0.027 40.777 40.800 0.007 0.000 0.924 277 D HN 0.323 nan 8.370 nan 0.000 0.515 278 L N 1.084 122.342 121.223 0.059 0.000 2.265 278 L HA 0.416 4.756 4.340 -0.000 0.000 0.288 278 L C -2.293 174.671 176.870 0.157 0.000 1.058 278 L CA -2.137 52.757 54.840 0.090 0.000 0.809 278 L CB 0.757 42.866 42.059 0.084 0.000 1.179 278 L HN -0.169 nan 8.230 nan 0.000 0.429 279 P HA 0.119 nan 4.420 nan 0.000 0.267 279 P C -1.207 176.400 177.300 0.513 0.000 1.200 279 P CA -0.158 63.160 63.100 0.363 0.000 0.772 279 P CB 0.676 32.550 31.700 0.291 0.000 0.855 280 V N 2.375 122.525 119.914 0.393 0.000 2.459 280 V HA 0.293 4.413 4.120 -0.000 0.000 0.295 280 V C 0.703 176.626 176.094 -0.285 0.000 1.029 280 V CA -0.586 61.773 62.300 0.099 0.000 0.874 280 V CB 1.412 33.248 31.823 0.021 0.000 0.985 280 V HN 0.726 nan 8.190 nan 0.000 0.438 281 T N 3.169 117.384 114.554 -0.565 0.000 2.900 281 T HA 0.176 4.526 4.350 -0.000 0.000 0.307 281 T C -1.647 172.740 174.700 -0.520 0.000 1.065 281 T CA -1.103 60.428 62.100 -0.947 0.000 1.105 281 T CB 0.993 69.467 68.868 -0.656 0.000 0.979 281 T HN 0.446 nan 8.240 nan 0.000 0.544 282 P HA -0.087 nan 4.420 nan 0.000 0.216 282 P C 1.686 178.838 177.300 -0.247 0.000 1.153 282 P CA 1.680 64.663 63.100 -0.195 0.000 0.858 282 P CB -0.326 31.345 31.700 -0.048 0.000 0.789 283 A N -0.156 122.432 122.820 -0.387 0.000 1.898 283 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 283 A C 2.338 179.701 177.584 -0.367 0.000 1.181 283 A CA 2.089 53.687 52.037 -0.731 0.000 0.620 283 A CB -1.567 17.190 19.000 -0.406 0.000 0.819 283 A HN 0.194 nan 8.150 nan 0.000 0.442 284 A N -0.039 122.634 122.820 -0.245 0.000 1.877 284 A HA 0.148 4.468 4.320 -0.000 0.000 0.216 284 A C 2.525 179.942 177.584 -0.278 0.000 1.186 284 A CA 2.155 54.085 52.037 -0.178 0.000 0.620 284 A CB -1.100 17.873 19.000 -0.045 0.000 0.822 284 A HN 1.084 nan 8.150 nan 0.000 0.443 285 A N -0.451 122.227 122.820 -0.238 0.000 1.883 285 A HA 0.047 4.366 4.320 -0.000 0.000 0.217 285 A C 2.434 179.930 177.584 -0.147 0.000 1.186 285 A CA 2.131 54.049 52.037 -0.198 0.000 0.624 285 A CB -1.457 17.462 19.000 -0.134 0.000 0.822 285 A HN 0.776 nan 8.150 nan 0.000 0.444 286 G N -0.463 108.281 108.800 -0.093 0.000 2.418 286 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 286 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 286 G C 1.471 176.520 174.900 0.247 0.000 1.158 286 G CA 1.173 46.348 45.100 0.125 0.000 0.771 286 G HN 0.493 nan 8.290 nan 0.000 0.545 287 L N 0.772 122.047 121.223 0.087 0.000 2.046 287 L HA 0.100 4.440 4.340 -0.000 0.000 0.208 287 L C 2.627 179.436 176.870 -0.102 0.000 1.077 287 L CA 1.326 56.124 54.840 -0.070 0.000 0.747 287 L CB -0.433 41.227 42.059 -0.664 0.000 0.896 287 L HN 0.265 nan 8.230 nan 0.000 0.432 288 I N -0.965 119.438 120.570 -0.279 0.000 2.315 288 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 288 I C 2.637 178.665 176.117 -0.148 0.000 1.117 288 I CA 0.974 62.081 61.300 -0.322 0.000 1.404 288 I CB -0.315 37.379 38.000 -0.510 0.000 1.071 288 I HN 0.239 nan 8.210 nan 0.000 0.419 289 R N -0.129 120.292 120.500 -0.133 0.000 2.083 289 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 289 R C 2.186 178.407 176.300 -0.132 0.000 1.137 289 R CA 2.084 58.081 56.100 -0.171 0.000 0.951 289 R CB -0.427 29.715 30.300 -0.263 0.000 0.851 289 R HN 0.389 nan 8.270 nan 0.000 0.434 290 W N 0.723 122.059 121.300 0.060 0.000 2.358 290 W HA -0.121 4.539 4.660 -0.000 0.000 0.303 290 W C 2.016 178.637 176.519 0.170 0.000 1.208 290 W CA 0.513 57.941 57.345 0.138 0.000 1.274 290 W CB -0.184 29.412 29.460 0.228 0.000 1.138 290 W HN 0.049 nan 8.180 nan 0.000 0.515 291 I N -0.134 120.615 120.570 0.298 0.000 2.179 291 I HA -0.349 3.821 4.170 -0.000 0.000 0.242 291 I C 2.618 178.811 176.117 0.127 0.000 1.088 291 I CA 1.158 62.569 61.300 0.185 0.000 1.357 291 I CB -0.738 37.296 38.000 0.057 0.000 1.051 291 I HN 0.017 nan 8.210 nan 0.000 0.409 292 Q N -0.082 119.753 119.800 0.058 0.000 2.061 292 Q HA -0.304 4.036 4.340 -0.000 0.000 0.204 292 Q C 2.211 178.231 176.000 0.033 0.000 0.984 292 Q CA 2.096 57.912 55.803 0.021 0.000 0.846 292 Q CB -0.696 28.026 28.738 -0.028 0.000 0.902 292 Q HN 0.614 nan 8.270 nan 0.000 0.421 293 H N 0.135 119.165 119.070 -0.067 0.000 2.352 293 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 293 H C 1.422 176.656 175.328 -0.157 0.000 1.097 293 H CA 1.765 57.722 56.048 -0.152 0.000 1.311 293 H CB 0.068 29.683 29.762 -0.245 0.000 1.377 293 H HN 0.284 nan 8.280 nan 0.000 0.504 294 H N -0.957 118.165 119.070 0.086 0.000 2.539 294 H HA 0.369 4.925 4.556 -0.000 0.000 0.267 294 H C 0.517 175.801 175.328 -0.075 0.000 0.982 294 H CA 0.704 56.748 56.048 -0.007 0.000 1.146 294 H CB 0.214 30.036 29.762 0.099 0.000 1.382 294 H HN 0.423 nan 8.280 nan 0.000 0.577 295 A N 1.248 124.069 122.820 0.002 0.000 3.159 295 A HA 0.436 4.756 4.320 -0.000 0.000 0.301 295 A C -0.043 177.551 177.584 0.017 0.000 1.271 295 A CA -0.314 51.667 52.037 -0.093 0.000 0.998 295 A CB -0.792 18.163 19.000 -0.076 0.000 1.101 295 A HN 0.251 nan 8.150 nan 0.000 0.610 296 L N 0.000 121.224 121.223 0.002 0.000 2.949 296 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 296 L CA 0.000 54.873 54.840 0.055 0.000 0.813 296 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 296 L HN 0.000 nan 8.230 nan 0.000 0.502