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 3eqg_1_A DATA FIRST_RESID 39 DATA SEQUENCE ELELDEQQRK RLEAFLTQKQ KVGELKDDDF EKISELGAGN GGVVFKVSHK DATA SEQUENCE PSGLVMARKL IHLEIKPAIR NQIIRELQVL HECNSPYIVG FYGAFYSDGE DATA SEQUENCE ISICMEHMDG GSLDQVLKKA GRIPEQILGK VSIAVIKGLT YLREKHKIMH DATA SEQUENCE RDVKPSNILV NSRGEIKLCD FGVSGQLIDS MANSFVGTRS YMSPERLQGT DATA SEQUENCE HYSVQSDIWS MGLSLVEMAV GRYPIPPPDA KELELMFGCX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXPM AIFELLDYIV NEPPPKLPSG VFSLEFQDFV DATA SEQUENCE NKCLIKNPAE RADLKQLMVH AFIKRSDAEE VDFAGWLCST IGL 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 39 E HA 0.000 nan 4.350 nan 0.000 0.291 39 E C 0.000 176.623 176.600 0.039 0.000 1.382 39 E CA 0.000 56.411 56.400 0.018 0.000 0.976 39 E CB 0.000 29.702 29.700 0.003 0.000 0.812 40 L N 2.124 123.382 121.223 0.058 0.000 2.741 40 L HA 0.334 4.674 4.340 -0.001 0.000 0.237 40 L C -0.136 176.803 176.870 0.116 0.000 1.178 40 L CA 0.021 54.927 54.840 0.109 0.000 0.973 40 L CB 0.145 42.276 42.059 0.120 0.000 1.255 40 L HN 0.094 nan 8.230 nan 0.000 0.498 41 E N 0.930 121.178 120.200 0.081 0.000 2.354 41 E HA 0.285 4.635 4.350 -0.001 0.000 0.269 41 E C -0.480 176.165 176.600 0.074 0.000 1.036 41 E CA -0.090 56.350 56.400 0.067 0.000 0.876 41 E CB 1.093 30.820 29.700 0.044 0.000 1.009 41 E HN 0.161 nan 8.360 nan 0.000 0.416 42 L N 2.373 123.629 121.223 0.055 0.000 2.360 42 L HA 0.286 4.625 4.340 -0.001 0.000 0.271 42 L C 0.389 177.275 176.870 0.026 0.000 1.057 42 L CA -0.880 53.981 54.840 0.035 0.000 0.803 42 L CB 0.803 42.868 42.059 0.011 0.000 1.207 42 L HN 0.689 nan 8.230 nan 0.000 0.445 43 D N -0.356 120.055 120.400 0.019 0.000 2.478 43 D HA 0.010 4.650 4.640 -0.001 0.000 0.274 43 D C 0.756 177.062 176.300 0.009 0.000 1.234 43 D CA -0.407 53.602 54.000 0.015 0.000 1.069 43 D CB 0.746 41.555 40.800 0.015 0.000 1.113 43 D HN 0.612 nan 8.370 nan 0.000 0.571 44 E N -1.456 118.750 120.200 0.010 0.000 2.107 44 E HA -0.225 4.124 4.350 -0.001 0.000 0.191 44 E C 1.839 178.443 176.600 0.007 0.000 0.982 44 E CA 0.572 56.977 56.400 0.010 0.000 0.809 44 E CB 0.002 29.709 29.700 0.011 0.000 0.756 44 E HN 0.580 nan 8.360 nan 0.000 0.459 45 Q N -0.011 119.792 119.800 0.005 0.000 2.291 45 Q HA -0.190 4.150 4.340 -0.001 0.000 0.205 45 Q C 1.788 177.783 176.000 -0.008 0.000 0.970 45 Q CA 1.103 56.908 55.803 0.003 0.000 0.876 45 Q CB 0.194 28.935 28.738 0.006 0.000 0.935 45 Q HN 0.404 nan 8.270 nan 0.000 0.455 46 Q N -0.459 119.330 119.800 -0.020 0.000 2.165 46 Q HA -0.079 4.260 4.340 -0.001 0.000 0.197 46 Q C 2.037 178.015 176.000 -0.038 0.000 0.952 46 Q CA 0.899 56.672 55.803 -0.050 0.000 0.848 46 Q CB 0.063 28.757 28.738 -0.074 0.000 0.931 46 Q HN 0.180 nan 8.270 nan 0.000 0.470 47 R N 1.710 122.202 120.500 -0.013 0.000 2.096 47 R HA -0.166 4.174 4.340 -0.001 0.000 0.235 47 R C 2.113 178.421 176.300 0.014 0.000 1.127 47 R CA 1.767 57.869 56.100 0.003 0.000 0.968 47 R CB -0.044 30.264 30.300 0.013 0.000 0.861 47 R HN 0.045 nan 8.270 nan 0.000 0.440 48 K N 0.112 120.520 120.400 0.014 0.000 2.025 48 K HA -0.164 4.155 4.320 -0.001 0.000 0.207 48 K C 2.104 178.724 176.600 0.033 0.000 1.049 48 K CA 1.536 57.837 56.287 0.024 0.000 0.933 48 K CB -0.106 32.407 32.500 0.021 0.000 0.714 48 K HN 0.095 nan 8.250 nan 0.000 0.438 49 R N 0.289 120.802 120.500 0.020 0.000 2.096 49 R HA -0.022 4.317 4.340 -0.001 0.000 0.235 49 R C 2.277 178.611 176.300 0.057 0.000 1.127 49 R CA 1.001 57.120 56.100 0.031 0.000 0.968 49 R CB -0.263 30.035 30.300 -0.004 0.000 0.861 49 R HN 0.214 nan 8.270 nan 0.000 0.440 50 L N 1.149 122.388 121.223 0.028 0.000 2.141 50 L HA -0.131 4.208 4.340 -0.001 0.000 0.209 50 L C 1.614 178.554 176.870 0.117 0.000 1.094 50 L CA 1.858 56.728 54.840 0.051 0.000 0.763 50 L CB -0.658 41.403 42.059 0.003 0.000 0.908 50 L HN 0.291 nan 8.230 nan 0.000 0.437 51 E N -0.601 119.650 120.200 0.086 0.000 2.046 51 E HA -0.124 4.226 4.350 -0.001 0.000 0.190 51 E C 2.225 178.880 176.600 0.092 0.000 0.982 51 E CA 0.977 57.426 56.400 0.081 0.000 0.800 51 E CB -0.072 29.661 29.700 0.055 0.000 0.756 51 E HN 0.464 nan 8.360 nan 0.000 0.449 52 A N 1.699 124.576 122.820 0.095 0.000 1.859 52 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 52 A C 2.056 179.714 177.584 0.124 0.000 1.198 52 A CA 1.615 53.709 52.037 0.096 0.000 0.629 52 A CB -1.044 18.014 19.000 0.097 0.000 0.830 52 A HN 0.328 nan 8.150 nan 0.000 0.446 53 F N 0.542 120.509 119.950 0.029 0.000 2.063 53 F HA -0.239 4.288 4.527 -0.001 0.000 0.298 53 F C 2.009 177.838 175.800 0.049 0.000 1.109 53 F CA 2.173 60.194 58.000 0.034 0.000 1.212 53 F CB -0.443 38.552 39.000 -0.008 0.000 0.973 53 F HN 0.165 nan 8.300 nan 0.000 0.480 54 L N -0.786 120.505 121.223 0.113 0.000 2.042 54 L HA -0.258 4.081 4.340 -0.001 0.000 0.210 54 L C 2.381 179.227 176.870 -0.040 0.000 1.076 54 L CA 1.884 56.743 54.840 0.032 0.000 0.749 54 L CB -1.237 40.895 42.059 0.123 0.000 0.893 54 L HN 0.133 nan 8.230 nan 0.000 0.432 55 T N -1.198 113.351 114.554 -0.009 0.000 2.788 55 T HA -0.232 4.118 4.350 -0.001 0.000 0.268 55 T C 1.942 176.618 174.700 -0.040 0.000 1.044 55 T CA 1.272 63.366 62.100 -0.010 0.000 1.139 55 T CB -0.084 68.793 68.868 0.014 0.000 0.867 55 T HN 0.363 nan 8.240 nan 0.000 0.454 56 Q N 0.172 119.925 119.800 -0.078 0.000 2.123 56 Q HA -0.001 4.339 4.340 -0.001 0.000 0.199 56 Q C 2.395 178.334 176.000 -0.101 0.000 0.966 56 Q CA 1.001 56.756 55.803 -0.080 0.000 0.845 56 Q CB -0.029 28.660 28.738 -0.082 0.000 0.907 56 Q HN 0.380 nan 8.270 nan 0.000 0.439 57 K N 0.688 120.974 120.400 -0.191 0.000 2.097 57 K HA -0.218 4.102 4.320 -0.001 0.000 0.205 57 K C 1.993 178.566 176.600 -0.045 0.000 1.050 57 K CA 1.217 57.437 56.287 -0.112 0.000 0.938 57 K CB 0.063 32.415 32.500 -0.246 0.000 0.718 57 K HN 0.118 nan 8.250 nan 0.000 0.442 58 Q N 0.606 120.379 119.800 -0.045 0.000 2.173 58 Q HA -0.184 4.156 4.340 -0.001 0.000 0.208 58 Q C 1.439 177.424 176.000 -0.024 0.000 0.989 58 Q CA 1.938 57.728 55.803 -0.021 0.000 0.872 58 Q CB 0.157 28.887 28.738 -0.013 0.000 0.909 58 Q HN 0.269 nan 8.270 nan 0.000 0.420 59 K N -0.533 119.848 120.400 -0.032 0.000 2.366 59 K HA 0.030 4.350 4.320 -0.001 0.000 0.198 59 K C 0.058 176.636 176.600 -0.037 0.000 1.044 59 K CA 0.245 56.514 56.287 -0.030 0.000 0.973 59 K CB 0.406 32.889 32.500 -0.028 0.000 0.767 59 K HN 0.021 nan 8.250 nan 0.000 0.475 60 V N 2.491 122.370 119.914 -0.059 0.000 2.405 60 V HA 0.087 4.207 4.120 -0.001 0.000 0.264 60 V C 1.244 177.304 176.094 -0.055 0.000 1.048 60 V CA -0.338 61.904 62.300 -0.097 0.000 0.966 60 V CB 0.622 32.323 31.823 -0.204 0.000 1.015 60 V HN 0.295 nan 8.190 nan 0.000 0.477 61 G N 4.244 113.024 108.800 -0.032 0.000 2.597 61 G HA2 0.093 4.053 3.960 -0.001 0.000 0.194 61 G HA3 0.093 4.053 3.960 -0.001 0.000 0.194 61 G C 0.167 175.050 174.900 -0.027 0.000 1.625 61 G CA -0.261 44.824 45.100 -0.026 0.000 1.050 61 G HN 0.764 nan 8.290 nan 0.000 0.531 62 E N -0.807 119.374 120.200 -0.031 0.000 2.331 62 E HA 0.355 4.704 4.350 -0.001 0.000 0.272 62 E C -0.291 176.263 176.600 -0.077 0.000 1.036 62 E CA -0.415 55.966 56.400 -0.032 0.000 0.864 62 E CB 0.592 30.270 29.700 -0.035 0.000 1.035 62 E HN 0.208 nan 8.360 nan 0.000 0.408 63 L N 4.750 125.921 121.223 -0.086 0.000 2.312 63 L HA 0.406 4.746 4.340 -0.001 0.000 0.281 63 L C -0.113 176.355 176.870 -0.670 0.000 1.070 63 L CA -0.443 54.273 54.840 -0.206 0.000 0.805 63 L CB 0.850 42.992 42.059 0.139 0.000 1.174 63 L HN 0.600 nan 8.230 nan 0.000 0.434 64 K N 1.315 121.295 120.400 -0.700 0.000 2.469 64 K HA 0.245 4.564 4.320 -0.001 0.000 0.254 64 K C -0.047 176.263 176.600 -0.484 0.000 0.939 64 K CA -0.952 54.916 56.287 -0.699 0.000 0.812 64 K CB 2.259 34.546 32.500 -0.355 0.000 1.301 64 K HN 0.351 nan 8.250 nan 0.000 0.433 65 D N 1.695 121.989 120.400 -0.177 0.000 2.154 65 D HA -0.234 4.405 4.640 -0.001 0.000 0.190 65 D C 0.649 176.999 176.300 0.083 0.000 1.003 65 D CA 1.930 56.054 54.000 0.205 0.000 0.849 65 D CB 0.196 41.106 40.800 0.184 0.000 0.942 65 D HN 0.550 nan 8.370 nan 0.000 0.446 66 D N 0.371 120.732 120.400 -0.065 0.000 2.350 66 D HA -0.100 4.539 4.640 -0.001 0.000 0.216 66 D C 1.138 177.309 176.300 -0.215 0.000 0.968 66 D CA 0.534 54.472 54.000 -0.103 0.000 0.894 66 D CB -0.264 40.480 40.800 -0.094 0.000 0.909 66 D HN 0.539 nan 8.370 nan 0.000 0.520 67 D N -0.414 119.734 120.400 -0.420 0.000 2.355 67 D HA -0.060 4.579 4.640 -0.001 0.000 0.218 67 D C 0.273 176.188 176.300 -0.641 0.000 1.004 67 D CA 0.140 53.749 54.000 -0.651 0.000 0.880 67 D CB 0.096 40.315 40.800 -0.969 0.000 0.911 67 D HN 0.142 nan 8.370 nan 0.000 0.528 68 F N 1.359 121.276 119.950 -0.055 0.000 2.425 68 F HA 0.314 4.841 4.527 -0.001 0.000 0.331 68 F C 0.663 176.439 175.800 -0.040 0.000 1.085 68 F CA -1.331 56.665 58.000 -0.007 0.000 1.028 68 F CB 1.548 40.592 39.000 0.074 0.000 1.177 68 F HN -0.269 nan 8.300 nan 0.000 0.487 69 E N 3.376 123.685 120.200 0.181 0.000 2.265 69 E HA 0.210 4.560 4.350 -0.001 0.000 0.262 69 E C -1.112 175.513 176.600 0.041 0.000 0.889 69 E CA -0.840 55.597 56.400 0.062 0.000 0.789 69 E CB 1.534 31.246 29.700 0.021 0.000 1.221 69 E HN 0.666 nan 8.360 nan 0.000 0.414 70 K N 3.932 124.316 120.400 -0.026 0.000 2.527 70 K HA 0.002 4.322 4.320 -0.001 0.000 0.278 70 K C 0.436 177.047 176.600 0.018 0.000 0.981 70 K CA 0.632 56.887 56.287 -0.052 0.000 1.009 70 K CB 0.469 32.873 32.500 -0.161 0.000 0.895 70 K HN 0.648 nan 8.250 nan 0.000 0.493 71 I N 1.038 121.646 120.570 0.062 0.000 4.730 71 I HA 0.020 4.190 4.170 -0.001 0.000 0.332 71 I C -0.435 175.724 176.117 0.070 0.000 1.299 71 I CA -0.084 61.244 61.300 0.046 0.000 1.294 71 I CB 1.067 39.077 38.000 0.016 0.000 1.317 71 I HN 0.756 nan 8.210 nan 0.000 0.457 72 S N 0.609 116.391 115.700 0.138 0.000 2.710 72 S HA 0.158 4.628 4.470 -0.001 0.000 0.274 72 S C -1.526 173.210 174.600 0.227 0.000 1.029 72 S CA -0.872 57.415 58.200 0.145 0.000 0.864 72 S CB 1.082 64.329 63.200 0.079 0.000 1.103 72 S HN 0.156 nan 8.310 nan 0.000 0.460 73 E N 1.476 121.745 120.200 0.115 0.000 2.156 73 E HA 0.603 4.952 4.350 -0.001 0.000 0.279 73 E C 0.209 176.734 176.600 -0.125 0.000 0.965 73 E CA -0.831 55.502 56.400 -0.113 0.000 0.789 73 E CB 1.032 30.654 29.700 -0.130 0.000 1.098 73 E HN 0.642 nan 8.360 nan 0.000 0.397 74 L N 3.327 124.438 121.223 -0.186 0.000 2.307 74 L HA 0.417 4.756 4.340 -0.001 0.000 0.211 74 L C 1.026 177.826 176.870 -0.117 0.000 1.099 74 L CA 0.642 55.429 54.840 -0.088 0.000 0.816 74 L CB 0.127 42.170 42.059 -0.027 0.000 0.952 74 L HN 0.748 nan 8.230 nan 0.000 0.455 75 G N -0.904 107.775 108.800 -0.201 0.000 2.338 75 G HA2 0.548 4.508 3.960 -0.001 0.000 0.295 75 G HA3 0.548 4.508 3.960 -0.001 0.000 0.295 75 G C -2.146 172.633 174.900 -0.202 0.000 1.461 75 G CA -0.006 44.998 45.100 -0.160 0.000 0.817 75 G HN 0.056 nan 8.290 nan 0.000 0.556 76 A N -1.184 121.550 122.820 -0.142 0.000 2.423 76 A HA 1.048 5.368 4.320 -0.001 0.000 0.304 76 A C 0.202 177.720 177.584 -0.111 0.000 1.104 76 A CA 0.050 52.007 52.037 -0.132 0.000 0.757 76 A CB 1.945 20.885 19.000 -0.101 0.000 1.313 76 A HN 2.286 nan 8.150 nan 0.000 0.423 77 G N -0.317 108.408 108.800 -0.126 0.000 2.694 77 G HA2 0.426 4.386 3.960 -0.001 0.000 0.290 77 G HA3 0.426 4.386 3.960 -0.001 0.000 0.290 77 G C -0.706 174.076 174.900 -0.197 0.000 1.386 77 G CA -0.632 44.382 45.100 -0.143 0.000 0.872 77 G HN 0.595 nan 8.290 nan 0.000 0.475 78 N N 0.367 118.936 118.700 -0.219 0.000 3.127 78 N HA 0.207 4.946 4.740 -0.001 0.000 0.317 78 N C 1.005 176.007 175.510 -0.846 0.000 1.242 78 N CA 0.955 53.831 53.050 -0.289 0.000 1.203 78 N CB 0.110 38.516 38.487 -0.136 0.000 1.462 78 N HN 0.893 nan 8.380 nan 0.000 0.546 79 G N -1.166 107.065 108.800 -0.949 0.000 3.942 79 G HA2 0.069 4.028 3.960 -0.001 0.000 0.219 79 G HA3 0.069 4.028 3.960 -0.001 0.000 0.219 79 G C 0.167 174.798 174.900 -0.448 0.000 0.869 79 G CA 0.079 44.228 45.100 -1.584 0.000 0.851 79 G HN 0.627 nan 8.290 nan 0.000 0.560 80 G N -1.202 107.443 108.800 -0.258 0.000 2.495 80 G HA2 0.644 4.603 3.960 -0.001 0.000 0.294 80 G HA3 0.644 4.603 3.960 -0.001 0.000 0.294 80 G C -1.816 173.030 174.900 -0.091 0.000 1.397 80 G CA 0.214 45.259 45.100 -0.092 0.000 0.790 80 G HN 0.887 nan 8.290 nan 0.000 0.486 81 V N -1.140 118.741 119.914 -0.055 0.000 3.113 81 V HA 0.866 4.986 4.120 -0.001 0.000 0.316 81 V C -0.520 175.463 176.094 -0.185 0.000 1.125 81 V CA -0.746 61.467 62.300 -0.146 0.000 1.026 81 V CB 2.137 33.897 31.823 -0.105 0.000 1.080 81 V HN 0.740 nan 8.190 nan 0.000 0.444 82 V N 1.583 121.253 119.914 -0.405 0.000 2.733 82 V HA 0.588 4.708 4.120 -0.001 0.000 0.306 82 V C -1.423 174.353 176.094 -0.531 0.000 1.084 82 V CA -0.443 61.684 62.300 -0.288 0.000 0.905 82 V CB 1.771 33.502 31.823 -0.153 0.000 1.010 82 V HN 0.662 nan 8.190 nan 0.000 0.424 83 F N 2.236 122.173 119.950 -0.022 0.000 2.561 83 F HA 0.568 5.095 4.527 -0.001 0.000 0.321 83 F C 0.165 175.962 175.800 -0.004 0.000 1.065 83 F CA -0.899 57.093 58.000 -0.013 0.000 0.934 83 F CB 1.871 40.855 39.000 -0.026 0.000 1.215 83 F HN 0.245 nan 8.300 nan 0.000 0.471 84 K N 2.968 123.473 120.400 0.176 0.000 2.248 84 K HA 0.630 4.950 4.320 -0.001 0.000 0.281 84 K C -1.151 175.486 176.600 0.060 0.000 1.054 84 K CA -0.269 56.045 56.287 0.045 0.000 0.903 84 K CB 0.837 33.304 32.500 -0.055 0.000 1.077 84 K HN 0.656 nan 8.250 nan 0.000 0.474 85 V N -0.317 119.614 119.914 0.028 0.000 3.141 85 V HA 0.621 4.741 4.120 -0.001 0.000 0.312 85 V C -0.947 175.192 176.094 0.075 0.000 1.157 85 V CA -0.945 61.390 62.300 0.058 0.000 1.041 85 V CB 1.764 33.610 31.823 0.037 0.000 1.071 85 V HN 0.672 nan 8.190 nan 0.000 0.441 86 S N 0.392 116.171 115.700 0.131 0.000 2.552 86 S HA 0.396 4.866 4.470 -0.001 0.000 0.314 86 S C -0.621 174.121 174.600 0.238 0.000 1.099 86 S CA -0.532 57.746 58.200 0.130 0.000 1.070 86 S CB 0.330 63.562 63.200 0.054 0.000 0.998 86 S HN 1.190 nan 8.310 nan 0.000 0.474 87 H N 4.876 124.035 119.070 0.148 0.000 2.934 87 H HA 0.239 4.795 4.556 -0.001 0.000 0.273 87 H C 0.869 176.141 175.328 -0.094 0.000 1.121 87 H CA 0.066 56.128 56.048 0.025 0.000 1.451 87 H CB 0.579 30.344 29.762 0.005 0.000 1.469 87 H HN 0.700 nan 8.280 nan 0.000 0.476 88 K N 4.818 125.011 120.400 -0.345 0.000 2.034 88 K HA -0.158 4.162 4.320 -0.001 0.000 0.214 88 K C -0.715 175.728 176.600 -0.262 0.000 1.051 88 K CA 2.064 58.193 56.287 -0.262 0.000 0.931 88 K CB -0.750 31.605 32.500 -0.240 0.000 0.715 88 K HN 0.549 nan 8.250 nan 0.000 0.446 89 P HA -0.190 nan 4.420 nan 0.000 0.210 89 P C 1.290 178.532 177.300 -0.096 0.000 1.185 89 P CA 1.981 64.932 63.100 -0.248 0.000 0.924 89 P CB -0.210 31.307 31.700 -0.305 0.000 0.786 90 S N -1.522 114.193 115.700 0.024 0.000 2.423 90 S HA 0.088 4.557 4.470 -0.001 0.000 0.231 90 S C 1.809 176.427 174.600 0.030 0.000 1.014 90 S CA 0.995 59.238 58.200 0.071 0.000 0.965 90 S CB -1.517 61.761 63.200 0.130 0.000 0.785 90 S HN 0.442 nan 8.310 nan 0.000 0.495 91 G N 0.868 109.683 108.800 0.023 0.000 2.143 91 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.248 91 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.248 91 G C -0.102 174.813 174.900 0.025 0.000 0.991 91 G CA 0.216 45.321 45.100 0.008 0.000 0.689 91 G HN 0.529 nan 8.290 nan 0.000 0.522 92 L N 0.916 122.162 121.223 0.038 0.000 2.331 92 L HA 0.428 4.768 4.340 -0.001 0.000 0.278 92 L C 1.010 177.896 176.870 0.026 0.000 1.106 92 L CA -0.813 54.021 54.840 -0.009 0.000 0.824 92 L CB 1.314 43.270 42.059 -0.172 0.000 1.142 92 L HN 0.003 nan 8.230 nan 0.000 0.443 93 V N 4.838 124.771 119.914 0.031 0.000 2.649 93 V HA 0.401 4.521 4.120 -0.001 0.000 0.292 93 V C 0.363 176.502 176.094 0.075 0.000 1.055 93 V CA -0.188 62.127 62.300 0.026 0.000 1.023 93 V CB 1.277 33.089 31.823 -0.018 0.000 0.992 93 V HN 0.772 nan 8.190 nan 0.000 0.480 94 M N 2.418 122.063 119.600 0.074 0.000 2.843 94 M HA 0.762 5.241 4.480 -0.001 0.000 0.273 94 M C -0.849 175.535 176.300 0.141 0.000 1.286 94 M CA -0.676 54.723 55.300 0.165 0.000 0.807 94 M CB 2.345 35.000 32.600 0.092 0.000 1.684 94 M HN 0.611 nan 8.290 nan 0.000 0.458 95 A N 1.271 124.199 122.820 0.181 0.000 2.288 95 A HA 0.772 5.092 4.320 -0.001 0.000 0.320 95 A C -0.913 176.696 177.584 0.041 0.000 1.217 95 A CA -0.491 51.630 52.037 0.140 0.000 0.840 95 A CB 0.788 19.883 19.000 0.159 0.000 1.179 95 A HN 0.802 nan 8.150 nan 0.000 0.504 96 R N 2.260 122.769 120.500 0.014 0.000 2.288 96 R HA 0.379 4.719 4.340 -0.001 0.000 0.326 96 R C -0.454 175.853 176.300 0.011 0.000 0.959 96 R CA -0.361 55.697 56.100 -0.070 0.000 0.834 96 R CB 0.650 30.849 30.300 -0.168 0.000 1.157 96 R HN 0.705 nan 8.270 nan 0.000 0.470 97 K N 5.243 125.616 120.400 -0.044 0.000 2.248 97 K HA 0.248 4.568 4.320 -0.001 0.000 0.281 97 K C -1.257 175.307 176.600 -0.058 0.000 1.054 97 K CA -0.504 55.758 56.287 -0.041 0.000 0.903 97 K CB 0.689 33.154 32.500 -0.058 0.000 1.077 97 K HN 0.432 nan 8.250 nan 0.000 0.474 98 L N 6.681 127.902 121.223 -0.004 0.000 2.324 98 L HA 0.393 4.733 4.340 -0.001 0.000 0.274 98 L C -0.450 176.421 176.870 0.001 0.000 1.012 98 L CA -0.297 54.534 54.840 -0.015 0.000 0.859 98 L CB 1.264 43.369 42.059 0.076 0.000 1.224 98 L HN 0.607 nan 8.230 nan 0.000 0.429 99 I N 2.462 123.011 120.570 -0.035 0.000 2.241 99 I HA 0.051 4.221 4.170 -0.001 0.000 0.294 99 I C 0.690 176.848 176.117 0.069 0.000 1.145 99 I CA -0.227 61.080 61.300 0.012 0.000 1.261 99 I CB -0.073 37.926 38.000 -0.002 0.000 1.475 99 I HN 0.601 nan 8.210 nan 0.000 0.533 100 H N 6.212 125.318 119.070 0.059 0.000 4.288 100 H HA 0.113 4.669 4.556 -0.001 0.000 0.184 100 H C -0.127 175.298 175.328 0.161 0.000 1.451 100 H CA -0.152 55.944 56.048 0.081 0.000 1.364 100 H CB 0.049 29.858 29.762 0.079 0.000 1.615 100 H HN 0.386 nan 8.280 nan 0.000 0.800 101 L N 1.579 122.930 121.223 0.213 0.000 2.307 101 L HA 0.351 4.690 4.340 -0.001 0.000 0.282 101 L C -0.669 176.276 176.870 0.126 0.000 1.051 101 L CA -0.485 54.485 54.840 0.217 0.000 0.804 101 L CB 1.301 43.502 42.059 0.237 0.000 1.197 101 L HN 0.373 nan 8.230 nan 0.000 0.431 102 E N 7.248 127.519 120.200 0.118 0.000 2.133 102 E HA 0.508 4.858 4.350 -0.001 0.000 0.274 102 E C -0.510 176.149 176.600 0.098 0.000 0.930 102 E CA -0.442 56.032 56.400 0.123 0.000 0.770 102 E CB 2.443 32.213 29.700 0.116 0.000 1.104 102 E HN 0.662 nan 8.360 nan 0.000 0.403 103 I N -1.015 119.623 120.570 0.112 0.000 2.842 103 I HA 0.356 4.525 4.170 -0.001 0.000 0.297 103 I C -0.311 175.792 176.117 -0.023 0.000 1.380 103 I CA -1.301 60.025 61.300 0.043 0.000 1.018 103 I CB 2.248 40.273 38.000 0.042 0.000 1.311 103 I HN 0.243 nan 8.210 nan 0.000 0.439 104 K N 3.340 123.714 120.400 -0.043 0.000 2.518 104 K HA 0.183 4.503 4.320 -0.001 0.000 0.276 104 K C -2.153 174.343 176.600 -0.172 0.000 0.974 104 K CA -0.595 55.641 56.287 -0.085 0.000 0.986 104 K CB 0.420 32.891 32.500 -0.048 0.000 0.901 104 K HN 0.361 nan 8.250 nan 0.000 0.497 105 P HA -0.234 nan 4.420 nan 0.000 0.217 105 P C 1.187 178.393 177.300 -0.157 0.000 1.148 105 P CA 2.132 65.066 63.100 -0.277 0.000 0.834 105 P CB -0.042 31.550 31.700 -0.180 0.000 0.783 106 A N -0.611 122.150 122.820 -0.097 0.000 1.865 106 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 106 A C 2.119 179.674 177.584 -0.048 0.000 1.191 106 A CA 1.851 53.855 52.037 -0.055 0.000 0.623 106 A CB -1.598 17.381 19.000 -0.035 0.000 0.826 106 A HN 0.146 nan 8.150 nan 0.000 0.444 107 I N 0.135 120.673 120.570 -0.052 0.000 2.110 107 I HA -0.265 3.904 4.170 -0.001 0.000 0.236 107 I C 2.574 178.677 176.117 -0.022 0.000 1.068 107 I CA 1.709 62.993 61.300 -0.027 0.000 1.333 107 I CB -0.564 37.428 38.000 -0.013 0.000 1.054 107 I HN 0.429 nan 8.210 nan 0.000 0.402 108 R N 1.573 122.039 120.500 -0.058 0.000 2.316 108 R HA -0.172 4.168 4.340 -0.001 0.000 0.232 108 R C 0.997 177.303 176.300 0.009 0.000 1.137 108 R CA 1.664 57.754 56.100 -0.017 0.000 1.012 108 R CB -0.887 29.340 30.300 -0.121 0.000 0.859 108 R HN 0.421 nan 8.270 nan 0.000 0.474 109 N N 0.650 119.337 118.700 -0.023 0.000 2.467 109 N HA -0.079 4.661 4.740 -0.001 0.000 0.184 109 N C 1.354 176.887 175.510 0.038 0.000 1.106 109 N CA 0.520 53.580 53.050 0.016 0.000 0.892 109 N CB 0.135 38.621 38.487 -0.002 0.000 0.969 109 N HN 0.473 nan 8.380 nan 0.000 0.454 110 Q N 0.218 120.037 119.800 0.032 0.000 2.297 110 Q HA 0.178 4.517 4.340 -0.001 0.000 0.203 110 Q C 1.842 177.870 176.000 0.046 0.000 0.931 110 Q CA 0.173 55.999 55.803 0.037 0.000 0.885 110 Q CB 0.376 29.131 28.738 0.028 0.000 0.991 110 Q HN 0.301 nan 8.270 nan 0.000 0.498 111 I N 1.150 121.751 120.570 0.051 0.000 2.113 111 I HA -0.297 3.872 4.170 -0.001 0.000 0.238 111 I C 2.106 178.261 176.117 0.063 0.000 1.070 111 I CA 0.863 62.195 61.300 0.052 0.000 1.332 111 I CB -0.252 37.786 38.000 0.063 0.000 1.044 111 I HN 0.214 nan 8.210 nan 0.000 0.402 112 I N 0.511 121.137 120.570 0.094 0.000 2.399 112 I HA -0.290 3.880 4.170 -0.001 0.000 0.254 112 I C 2.565 178.758 176.117 0.127 0.000 1.146 112 I CA 1.577 62.955 61.300 0.131 0.000 1.412 112 I CB -1.253 36.845 38.000 0.164 0.000 1.076 112 I HN 0.339 nan 8.210 nan 0.000 0.432 113 R N 1.071 121.629 120.500 0.095 0.000 2.057 113 R HA -0.122 4.218 4.340 -0.001 0.000 0.229 113 R C 2.186 178.533 176.300 0.078 0.000 1.136 113 R CA 1.403 57.557 56.100 0.090 0.000 0.952 113 R CB -0.091 30.249 30.300 0.068 0.000 0.848 113 R HN 0.559 nan 8.270 nan 0.000 0.430 114 E N 0.759 120.990 120.200 0.051 0.000 2.274 114 E HA -0.116 4.234 4.350 -0.001 0.000 0.194 114 E C 1.991 178.587 176.600 -0.007 0.000 0.996 114 E CA 0.606 57.024 56.400 0.030 0.000 0.840 114 E CB -0.137 29.575 29.700 0.020 0.000 0.772 114 E HN 0.316 nan 8.360 nan 0.000 0.491 115 L N 1.076 122.287 121.223 -0.020 0.000 2.275 115 L HA -0.140 4.200 4.340 -0.001 0.000 0.215 115 L C 2.291 179.060 176.870 -0.169 0.000 1.119 115 L CA 0.672 55.432 54.840 -0.134 0.000 0.790 115 L CB -0.322 41.708 42.059 -0.048 0.000 0.919 115 L HN 0.114 nan 8.230 nan 0.000 0.443 116 Q N -0.299 119.544 119.800 0.072 0.000 2.364 116 Q HA -0.100 4.240 4.340 -0.001 0.000 0.209 116 Q C 2.304 178.427 176.000 0.204 0.000 0.977 116 Q CA 0.908 56.875 55.803 0.273 0.000 0.885 116 Q CB -0.406 28.511 28.738 0.299 0.000 0.941 116 Q HN 0.402 nan 8.270 nan 0.000 0.464 117 V N 0.812 120.753 119.914 0.045 0.000 2.759 117 V HA -0.196 3.923 4.120 -0.001 0.000 0.256 117 V C 2.147 178.220 176.094 -0.035 0.000 1.080 117 V CA 1.000 63.328 62.300 0.048 0.000 1.101 117 V CB -0.560 31.281 31.823 0.029 0.000 0.698 117 V HN 0.288 nan 8.190 nan 0.000 0.477 118 L N -0.742 120.301 121.223 -0.300 0.000 2.362 118 L HA -0.132 4.207 4.340 -0.001 0.000 0.219 118 L C 2.225 179.059 176.870 -0.061 0.000 1.134 118 L CA 1.166 55.719 54.840 -0.477 0.000 0.807 118 L CB -0.638 40.547 42.059 -1.457 0.000 0.927 118 L HN 0.433 nan 8.230 nan 0.000 0.447 119 H N -0.754 118.467 119.070 0.251 0.000 2.546 119 H HA -0.065 4.491 4.556 -0.001 0.000 0.277 119 H C 1.622 177.088 175.328 0.231 0.000 1.004 119 H CA 0.673 56.927 56.048 0.344 0.000 1.231 119 H CB 0.272 30.218 29.762 0.308 0.000 1.382 119 H HN 0.381 nan 8.280 nan 0.000 0.580 120 E N -0.466 119.906 120.200 0.288 0.000 2.452 120 E HA 0.062 4.412 4.350 -0.001 0.000 0.197 120 E C -0.106 176.698 176.600 0.339 0.000 1.022 120 E CA -0.047 56.536 56.400 0.306 0.000 0.890 120 E CB 0.627 30.533 29.700 0.343 0.000 0.918 120 E HN 0.277 nan 8.360 nan 0.000 0.496 121 C N 2.688 122.079 119.300 0.152 0.000 2.183 121 C HA 0.254 4.713 4.460 -0.001 0.000 0.409 121 C C -0.206 174.812 174.990 0.046 0.000 1.022 121 C CA -0.981 58.086 59.018 0.082 0.000 1.367 121 C CB -2.088 25.604 27.740 -0.081 0.000 1.650 121 C HN 0.256 nan 8.230 nan 0.000 0.499 122 N N 1.661 120.431 118.700 0.117 0.000 2.511 122 N HA 0.489 5.228 4.740 -0.001 0.000 0.249 122 N C -0.530 174.827 175.510 -0.255 0.000 0.971 122 N CA 0.052 53.075 53.050 -0.046 0.000 0.938 122 N CB 1.166 39.703 38.487 0.084 0.000 1.131 122 N HN 0.509 nan 8.380 nan 0.000 0.505 123 S N 1.555 116.966 115.700 -0.482 0.000 2.570 123 S HA 0.482 4.951 4.470 -0.001 0.000 0.270 123 S C -2.381 171.925 174.600 -0.490 0.000 1.149 123 S CA -1.397 56.454 58.200 -0.581 0.000 0.837 123 S CB 1.323 63.845 63.200 -1.129 0.000 1.124 123 S HN 0.171 nan 8.310 nan 0.000 0.465 124 P HA 0.151 nan 4.420 nan 0.000 0.237 124 P C -0.371 176.459 177.300 -0.784 0.000 1.178 124 P CA 0.737 63.406 63.100 -0.718 0.000 0.766 124 P CB -0.114 31.012 31.700 -0.956 0.000 0.876 125 Y N -1.464 118.717 120.300 -0.198 0.000 2.612 125 Y HA 0.285 4.834 4.550 -0.001 0.000 0.250 125 Y C 0.671 176.479 175.900 -0.154 0.000 1.175 125 Y CA -0.596 57.413 58.100 -0.151 0.000 1.205 125 Y CB 0.379 38.767 38.460 -0.121 0.000 1.201 125 Y HN -0.165 nan 8.280 nan 0.000 0.532 126 I N 0.645 121.124 120.570 -0.150 0.000 2.499 126 I HA 0.238 4.408 4.170 -0.001 0.000 0.288 126 I C -0.261 175.796 176.117 -0.100 0.000 1.048 126 I CA -1.179 60.067 61.300 -0.089 0.000 1.062 126 I CB 1.822 39.688 38.000 -0.223 0.000 1.238 126 I HN -0.330 nan 8.210 nan 0.000 0.426 127 V N 5.035 124.951 119.914 0.005 0.000 2.557 127 V HA 0.094 4.214 4.120 -0.001 0.000 0.301 127 V C 1.344 177.362 176.094 -0.126 0.000 1.026 127 V CA -0.036 62.228 62.300 -0.061 0.000 1.137 127 V CB 0.374 32.198 31.823 0.001 0.000 0.917 127 V HN 0.962 nan 8.190 nan 0.000 0.484 128 G N 4.061 112.666 108.800 -0.325 0.000 2.432 128 G HA2 0.294 4.253 3.960 -0.001 0.000 0.239 128 G HA3 0.294 4.253 3.960 -0.001 0.000 0.239 128 G C -0.889 173.967 174.900 -0.075 0.000 1.291 128 G CA -0.136 44.661 45.100 -0.504 0.000 0.863 128 G HN 0.604 nan 8.290 nan 0.000 0.560 129 F N 2.402 122.278 119.950 -0.123 0.000 2.469 129 F HA 0.614 5.141 4.527 -0.000 0.000 0.332 129 F C -0.026 175.721 175.800 -0.089 0.000 1.103 129 F CA -1.378 56.563 58.000 -0.100 0.000 0.979 129 F CB 1.738 40.661 39.000 -0.129 0.000 1.137 129 F HN 0.427 nan 8.300 nan 0.000 0.463 130 Y N 3.092 123.038 120.300 -0.590 0.000 2.559 130 Y HA 0.589 5.138 4.550 -0.001 0.000 0.279 130 Y C 1.160 176.594 175.900 -0.777 0.000 1.117 130 Y CA 0.161 57.983 58.100 -0.463 0.000 1.263 130 Y CB 0.415 38.762 38.460 -0.189 0.000 1.230 130 Y HN 0.750 nan 8.280 nan 0.000 0.528 131 G N -0.798 107.233 108.800 -1.281 0.000 2.336 131 G HA2 0.516 4.475 3.960 -0.001 0.000 0.300 131 G HA3 0.516 4.475 3.960 -0.001 0.000 0.300 131 G C -1.987 172.856 174.900 -0.095 0.000 1.375 131 G CA -0.341 44.336 45.100 -0.706 0.000 0.885 131 G HN 0.319 nan 8.290 nan 0.000 0.599 132 A N -0.530 122.474 122.820 0.308 0.000 2.455 132 A HA 1.026 5.346 4.320 -0.001 0.000 0.300 132 A C -0.864 176.924 177.584 0.341 0.000 1.040 132 A CA -0.419 51.772 52.037 0.257 0.000 0.697 132 A CB 1.070 20.242 19.000 0.288 0.000 1.265 132 A HN 2.146 nan 8.150 nan 0.000 0.407 133 F N -0.487 119.565 119.950 0.169 0.000 2.662 133 F HA 0.789 5.316 4.527 -0.001 0.000 0.312 133 F C -1.206 174.701 175.800 0.178 0.000 1.113 133 F CA -1.371 56.734 58.000 0.175 0.000 0.951 133 F CB 1.009 40.107 39.000 0.164 0.000 1.344 133 F HN 0.572 nan 8.300 nan 0.000 0.462 134 Y N 1.209 121.672 120.300 0.272 0.000 2.420 134 Y HA 0.675 5.225 4.550 -0.001 0.000 0.334 134 Y C -0.322 175.711 175.900 0.222 0.000 1.094 134 Y CA -0.181 58.006 58.100 0.146 0.000 1.126 134 Y CB 1.747 40.263 38.460 0.093 0.000 1.217 134 Y HN 0.999 nan 8.280 nan 0.000 0.462 135 S N 4.431 120.096 115.700 -0.057 0.000 2.635 135 S HA 0.243 4.713 4.470 -0.001 0.000 0.327 135 S C -1.658 172.881 174.600 -0.101 0.000 0.917 135 S CA -0.326 57.937 58.200 0.105 0.000 0.827 135 S CB 0.201 63.561 63.200 0.267 0.000 1.065 135 S HN 0.882 nan 8.310 nan 0.000 0.474 136 D N 2.843 123.240 120.400 -0.004 0.000 3.051 136 D HA -0.123 4.517 4.640 -0.001 0.000 0.218 136 D C 0.969 177.174 176.300 -0.157 0.000 1.129 136 D CA 2.142 56.125 54.000 -0.029 0.000 0.868 136 D CB -1.672 39.121 40.800 -0.012 0.000 1.100 136 D HN 2.155 nan 8.370 nan 0.000 0.429 137 G N 0.528 109.219 108.800 -0.182 0.000 2.160 137 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.251 137 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.251 137 G C -0.063 174.422 174.900 -0.692 0.000 1.008 137 G CA 0.882 45.864 45.100 -0.196 0.000 0.724 137 G HN 0.811 nan 8.290 nan 0.000 0.514 138 E N -0.298 119.296 120.200 -1.009 0.000 2.308 138 E HA 0.583 4.933 4.350 -0.001 0.000 0.275 138 E C -0.761 175.403 176.600 -0.726 0.000 0.890 138 E CA -1.261 54.699 56.400 -0.734 0.000 0.754 138 E CB 1.524 30.930 29.700 -0.491 0.000 1.207 138 E HN 0.197 nan 8.360 nan 0.000 0.426 139 I N 2.063 122.390 120.570 -0.405 0.000 2.474 139 I HA 0.128 4.298 4.170 -0.001 0.000 0.287 139 I C 0.046 175.994 176.117 -0.282 0.000 1.048 139 I CA -0.159 60.989 61.300 -0.253 0.000 1.383 139 I CB 1.522 39.499 38.000 -0.039 0.000 1.412 139 I HN 0.452 nan 8.210 nan 0.000 0.531 140 S N 6.794 122.232 115.700 -0.437 0.000 2.454 140 S HA 0.633 5.103 4.470 -0.001 0.000 0.306 140 S C -0.451 173.905 174.600 -0.407 0.000 1.100 140 S CA -0.524 57.339 58.200 -0.561 0.000 1.087 140 S CB 0.899 63.401 63.200 -1.164 0.000 1.019 140 S HN 0.309 nan 8.310 nan 0.000 0.480 141 I N 3.117 123.562 120.570 -0.207 0.000 2.410 141 I HA 0.404 4.574 4.170 -0.001 0.000 0.286 141 I C -0.839 175.264 176.117 -0.024 0.000 1.009 141 I CA -0.547 60.741 61.300 -0.021 0.000 1.111 141 I CB 1.423 39.437 38.000 0.023 0.000 1.262 141 I HN 0.490 nan 8.210 nan 0.000 0.443 142 C N 7.628 126.937 119.300 0.015 0.000 2.351 142 C HA 0.800 5.259 4.460 -0.001 0.000 0.326 142 C C 0.271 175.354 174.990 0.155 0.000 1.272 142 C CA -0.712 58.323 59.018 0.030 0.000 1.650 142 C CB 0.698 28.446 27.740 0.013 0.000 2.257 142 C HN 0.834 nan 8.230 nan 0.000 0.505 143 M N 0.539 120.276 119.600 0.228 0.000 2.779 143 M HA 0.604 5.083 4.480 -0.001 0.000 0.277 143 M C -0.603 175.903 176.300 0.343 0.000 1.284 143 M CA -0.461 54.982 55.300 0.239 0.000 0.801 143 M CB 1.389 34.080 32.600 0.151 0.000 1.712 143 M HN 0.709 nan 8.290 nan 0.000 0.453 144 E N 1.692 122.007 120.200 0.192 0.000 2.442 144 E HA -0.063 4.287 4.350 -0.001 0.000 0.262 144 E C -1.098 175.652 176.600 0.251 0.000 1.004 144 E CA 0.092 56.664 56.400 0.288 0.000 0.928 144 E CB 0.491 30.239 29.700 0.080 0.000 0.937 144 E HN 0.640 nan 8.360 nan 0.000 0.446 145 H N 6.062 125.252 119.070 0.199 0.000 2.562 145 H HA 0.139 4.695 4.556 -0.001 0.000 0.314 145 H C -0.695 174.692 175.328 0.098 0.000 1.079 145 H CA -0.765 55.360 56.048 0.129 0.000 1.349 145 H CB 0.650 30.488 29.762 0.127 0.000 1.432 145 H HN 0.442 nan 8.280 nan 0.000 0.479 146 M N 5.173 124.522 119.600 -0.417 0.000 2.061 146 M HA 0.025 4.505 4.480 -0.001 0.000 0.346 146 M C 0.724 176.718 176.300 -0.510 0.000 1.112 146 M CA -0.596 54.517 55.300 -0.311 0.000 1.021 146 M CB 0.913 33.432 32.600 -0.135 0.000 1.530 146 M HN 0.713 nan 8.290 nan 0.000 0.437 147 D N 1.592 121.806 120.400 -0.310 0.000 2.348 147 D HA -0.062 4.577 4.640 -0.001 0.000 0.216 147 D C 1.393 177.662 176.300 -0.053 0.000 0.970 147 D CA 0.867 54.782 54.000 -0.142 0.000 0.889 147 D CB -0.126 40.708 40.800 0.057 0.000 0.912 147 D HN 0.736 nan 8.370 nan 0.000 0.524 148 G N -1.029 107.746 108.800 -0.041 0.000 3.042 148 G HA2 0.419 4.379 3.960 -0.001 0.000 0.212 148 G HA3 0.419 4.379 3.960 -0.001 0.000 0.212 148 G C 0.980 175.884 174.900 0.007 0.000 1.166 148 G CA 0.174 45.274 45.100 -0.000 0.000 0.767 148 G HN 0.708 nan 8.290 nan 0.000 0.546 149 G N 0.016 108.799 108.800 -0.029 0.000 2.593 149 G HA2 0.011 3.971 3.960 -0.001 0.000 0.237 149 G HA3 0.011 3.971 3.960 -0.001 0.000 0.237 149 G C 0.248 175.155 174.900 0.012 0.000 1.312 149 G CA 0.163 45.254 45.100 -0.016 0.000 0.896 149 G HN 1.471 nan 8.290 nan 0.000 0.574 150 S N -0.814 114.898 115.700 0.019 0.000 2.608 150 S HA 0.692 5.162 4.470 -0.001 0.000 0.291 150 S C 1.528 176.162 174.600 0.056 0.000 1.146 150 S CA -0.152 58.065 58.200 0.029 0.000 1.043 150 S CB 1.851 65.055 63.200 0.007 0.000 1.037 150 S HN 0.957 nan 8.310 nan 0.000 0.520 151 L N 0.649 121.909 121.223 0.061 0.000 2.191 151 L HA -0.115 4.225 4.340 -0.001 0.000 0.212 151 L C 2.390 179.308 176.870 0.081 0.000 1.103 151 L CA 1.386 56.280 54.840 0.091 0.000 0.769 151 L CB -0.700 41.402 42.059 0.071 0.000 0.908 151 L HN 0.823 nan 8.230 nan 0.000 0.438 152 D N 0.531 120.961 120.400 0.049 0.000 2.160 152 D HA -0.276 4.364 4.640 -0.001 0.000 0.189 152 D C 2.163 178.497 176.300 0.057 0.000 1.003 152 D CA 1.928 55.956 54.000 0.047 0.000 0.846 152 D CB 0.047 40.859 40.800 0.021 0.000 0.949 152 D HN 0.356 nan 8.370 nan 0.000 0.446 153 Q N -0.749 119.080 119.800 0.048 0.000 2.187 153 Q HA 0.023 4.363 4.340 -0.001 0.000 0.199 153 Q C 2.446 178.481 176.000 0.058 0.000 0.957 153 Q CA 0.603 56.431 55.803 0.042 0.000 0.857 153 Q CB 0.228 28.981 28.738 0.025 0.000 0.929 153 Q HN 0.181 nan 8.270 nan 0.000 0.453 154 V N 1.127 121.094 119.914 0.089 0.000 2.392 154 V HA -0.259 3.860 4.120 -0.001 0.000 0.249 154 V C 2.110 178.292 176.094 0.145 0.000 1.059 154 V CA 1.487 63.864 62.300 0.128 0.000 1.051 154 V CB -0.481 31.475 31.823 0.223 0.000 0.658 154 V HN 0.307 nan 8.190 nan 0.000 0.455 155 L N 0.091 121.398 121.223 0.140 0.000 2.005 155 L HA -0.147 4.193 4.340 -0.001 0.000 0.207 155 L C 2.433 179.362 176.870 0.098 0.000 1.072 155 L CA 2.112 57.034 54.840 0.137 0.000 0.744 155 L CB -0.690 41.445 42.059 0.126 0.000 0.895 155 L HN 0.172 nan 8.230 nan 0.000 0.433 156 K N -0.593 119.850 120.400 0.072 0.000 2.044 156 K HA -0.270 4.049 4.320 -0.001 0.000 0.210 156 K C 2.229 178.849 176.600 0.033 0.000 1.049 156 K CA 2.060 58.375 56.287 0.046 0.000 0.927 156 K CB -0.083 32.438 32.500 0.034 0.000 0.713 156 K HN 0.171 nan 8.250 nan 0.000 0.443 157 K N -0.468 119.948 120.400 0.027 0.000 2.026 157 K HA -0.110 4.209 4.320 -0.001 0.000 0.208 157 K C 1.828 178.429 176.600 0.002 0.000 1.048 157 K CA 1.620 57.907 56.287 0.000 0.000 0.929 157 K CB -0.093 32.392 32.500 -0.025 0.000 0.713 157 K HN 0.211 nan 8.250 nan 0.000 0.439 158 A N -0.882 121.963 122.820 0.040 0.000 2.123 158 A HA 0.233 4.553 4.320 -0.001 0.000 0.214 158 A C 1.658 179.296 177.584 0.091 0.000 1.152 158 A CA 1.223 53.300 52.037 0.067 0.000 0.728 158 A CB -0.338 18.756 19.000 0.156 0.000 0.814 158 A HN 0.454 nan 8.150 nan 0.000 0.464 159 G N -0.057 108.790 108.800 0.079 0.000 2.900 159 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.223 159 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.223 159 G C 0.425 175.377 174.900 0.087 0.000 1.293 159 G CA 0.723 45.858 45.100 0.058 0.000 0.792 159 G HN 1.433 nan 8.290 nan 0.000 0.527 160 R N -0.541 120.043 120.500 0.139 0.000 2.629 160 R HA 0.697 5.037 4.340 -0.001 0.000 0.266 160 R C -1.045 175.409 176.300 0.256 0.000 1.051 160 R CA -1.129 55.082 56.100 0.185 0.000 0.895 160 R CB 0.882 31.289 30.300 0.178 0.000 1.246 160 R HN 0.346 nan 8.270 nan 0.000 0.459 161 I N 2.309 123.021 120.570 0.237 0.000 2.353 161 I HA 0.353 4.523 4.170 -0.001 0.000 0.293 161 I C -2.008 174.171 176.117 0.103 0.000 0.992 161 I CA -2.645 58.758 61.300 0.172 0.000 1.268 161 I CB 1.635 39.685 38.000 0.085 0.000 1.387 161 I HN 0.410 nan 8.210 nan 0.000 0.478 162 P HA 0.030 nan 4.420 nan 0.000 0.271 162 P C 0.578 177.833 177.300 -0.075 0.000 1.218 162 P CA -0.170 62.938 63.100 0.013 0.000 0.780 162 P CB 0.755 32.430 31.700 -0.043 0.000 0.901 163 E N 2.232 122.434 120.200 0.002 0.000 2.130 163 E HA -0.298 4.052 4.350 -0.001 0.000 0.196 163 E C 1.365 177.814 176.600 -0.253 0.000 0.998 163 E CA 1.407 57.690 56.400 -0.195 0.000 0.806 163 E CB -0.119 29.548 29.700 -0.056 0.000 0.738 163 E HN 0.442 nan 8.360 nan 0.000 0.459 164 Q N -0.312 119.387 119.800 -0.168 0.000 2.170 164 Q HA -0.142 4.198 4.340 -0.001 0.000 0.203 164 Q C 2.238 178.089 176.000 -0.248 0.000 0.976 164 Q CA 0.967 56.657 55.803 -0.189 0.000 0.858 164 Q CB 0.069 28.729 28.738 -0.130 0.000 0.907 164 Q HN 0.444 nan 8.270 nan 0.000 0.433 165 I N 0.547 120.937 120.570 -0.299 0.000 2.233 165 I HA -0.225 3.945 4.170 -0.001 0.000 0.243 165 I C 2.183 178.107 176.117 -0.321 0.000 1.093 165 I CA 1.251 62.337 61.300 -0.358 0.000 1.380 165 I CB -0.995 36.604 38.000 -0.668 0.000 1.067 165 I HN 0.257 nan 8.210 nan 0.000 0.413 166 L N 0.592 121.647 121.223 -0.279 0.000 2.353 166 L HA -0.116 4.224 4.340 -0.001 0.000 0.220 166 L C 2.572 179.331 176.870 -0.185 0.000 1.133 166 L CA 0.989 55.705 54.840 -0.206 0.000 0.798 166 L CB -1.058 40.891 42.059 -0.183 0.000 0.922 166 L HN 0.288 nan 8.230 nan 0.000 0.445 167 G N 0.130 108.765 108.800 -0.274 0.000 2.421 167 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.216 167 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.216 167 G C 1.712 176.340 174.900 -0.453 0.000 1.171 167 G CA 0.384 45.157 45.100 -0.546 0.000 0.775 167 G HN 0.145 nan 8.290 nan 0.000 0.543 168 K N 0.380 120.564 120.400 -0.360 0.000 2.097 168 K HA 0.051 4.371 4.320 -0.001 0.000 0.205 168 K C 2.632 179.041 176.600 -0.319 0.000 1.050 168 K CA 0.496 56.588 56.287 -0.325 0.000 0.938 168 K CB -0.905 31.393 32.500 -0.337 0.000 0.718 168 K HN 0.282 nan 8.250 nan 0.000 0.442 169 V N 1.420 121.142 119.914 -0.320 0.000 2.343 169 V HA -0.226 3.894 4.120 -0.001 0.000 0.247 169 V C 2.285 178.291 176.094 -0.146 0.000 1.051 169 V CA 1.817 63.969 62.300 -0.246 0.000 1.036 169 V CB -0.489 31.214 31.823 -0.200 0.000 0.654 169 V HN 0.241 nan 8.190 nan 0.000 0.451 170 S N -0.102 115.533 115.700 -0.109 0.000 2.353 170 S HA -0.157 4.313 4.470 -0.001 0.000 0.222 170 S C 1.892 176.448 174.600 -0.073 0.000 1.035 170 S CA 1.835 60.032 58.200 -0.006 0.000 1.025 170 S CB -0.364 62.846 63.200 0.015 0.000 0.902 170 S HN 0.482 nan 8.310 nan 0.000 0.440 171 I N 1.684 122.138 120.570 -0.193 0.000 2.118 171 I HA -0.296 3.874 4.170 -0.001 0.000 0.241 171 I C 2.749 178.697 176.117 -0.283 0.000 1.070 171 I CA 1.353 62.519 61.300 -0.223 0.000 1.327 171 I CB -0.622 37.228 38.000 -0.251 0.000 1.034 171 I HN 0.289 nan 8.210 nan 0.000 0.405 172 A N 0.365 123.027 122.820 -0.263 0.000 1.883 172 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 172 A C 2.408 179.857 177.584 -0.224 0.000 1.186 172 A CA 2.013 53.883 52.037 -0.279 0.000 0.624 172 A CB -0.991 17.965 19.000 -0.074 0.000 0.822 172 A HN 0.271 nan 8.150 nan 0.000 0.444 173 V N 0.177 120.016 119.914 -0.126 0.000 2.270 173 V HA -0.270 3.850 4.120 -0.001 0.000 0.245 173 V C 2.420 178.467 176.094 -0.078 0.000 1.043 173 V CA 1.973 64.229 62.300 -0.073 0.000 1.014 173 V CB -0.805 30.993 31.823 -0.042 0.000 0.645 173 V HN 0.571 nan 8.190 nan 0.000 0.447 174 I N -0.164 120.364 120.570 -0.070 0.000 2.113 174 I HA -0.355 3.814 4.170 -0.001 0.000 0.242 174 I C 2.606 178.659 176.117 -0.108 0.000 1.064 174 I CA 1.979 63.250 61.300 -0.049 0.000 1.320 174 I CB -0.444 37.550 38.000 -0.010 0.000 1.028 174 I HN 0.300 nan 8.210 nan 0.000 0.406 175 K N 0.436 120.683 120.400 -0.256 0.000 2.097 175 K HA -0.080 4.239 4.320 -0.001 0.000 0.205 175 K C 2.201 178.713 176.600 -0.146 0.000 1.050 175 K CA 1.298 57.392 56.287 -0.322 0.000 0.938 175 K CB -0.470 31.539 32.500 -0.818 0.000 0.718 175 K HN 0.467 nan 8.250 nan 0.000 0.442 176 G N 1.729 110.447 108.800 -0.136 0.000 2.446 176 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.217 176 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.217 176 G C 1.481 176.417 174.900 0.061 0.000 1.168 176 G CA 0.684 45.812 45.100 0.047 0.000 0.771 176 G HN 0.098 nan 8.290 nan 0.000 0.551 177 L N 0.272 121.509 121.223 0.024 0.000 2.201 177 L HA -0.018 4.322 4.340 -0.001 0.000 0.212 177 L C 3.063 179.949 176.870 0.026 0.000 1.105 177 L CA 1.237 56.096 54.840 0.032 0.000 0.775 177 L CB -0.488 41.591 42.059 0.032 0.000 0.913 177 L HN 0.146 nan 8.230 nan 0.000 0.440 178 T N -1.417 113.150 114.554 0.022 0.000 2.857 178 T HA -0.191 4.159 4.350 -0.001 0.000 0.266 178 T C 1.657 176.372 174.700 0.025 0.000 1.048 178 T CA 1.016 63.123 62.100 0.012 0.000 1.139 178 T CB -0.221 68.647 68.868 0.000 0.000 0.874 178 T HN 0.326 nan 8.240 nan 0.000 0.455 179 Y N 1.756 122.046 120.300 -0.016 0.000 2.114 179 Y HA -0.063 4.487 4.550 -0.000 0.000 0.284 179 Y C 1.978 177.892 175.900 0.024 0.000 1.143 179 Y CA 1.266 59.376 58.100 0.017 0.000 1.135 179 Y CB -0.488 37.998 38.460 0.043 0.000 0.980 179 Y HN 0.087 nan 8.280 nan 0.000 0.499 180 L N 0.097 121.351 121.223 0.052 0.000 2.131 180 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 180 L C 2.810 179.639 176.870 -0.068 0.000 1.092 180 L CA 1.404 56.219 54.840 -0.042 0.000 0.759 180 L CB -0.477 41.504 42.059 -0.131 0.000 0.903 180 L HN 0.261 nan 8.230 nan 0.000 0.435 181 R N -0.110 120.350 120.500 -0.067 0.000 2.055 181 R HA -0.123 4.217 4.340 -0.001 0.000 0.226 181 R C 2.154 178.395 176.300 -0.099 0.000 1.135 181 R CA 1.000 57.064 56.100 -0.060 0.000 0.959 181 R CB 0.099 30.376 30.300 -0.039 0.000 0.854 181 R HN 0.176 nan 8.270 nan 0.000 0.431 182 E N 0.939 121.059 120.200 -0.134 0.000 2.077 182 E HA -0.141 4.209 4.350 -0.001 0.000 0.193 182 E C 1.600 178.056 176.600 -0.240 0.000 0.989 182 E CA 1.338 57.643 56.400 -0.159 0.000 0.800 182 E CB 0.081 29.697 29.700 -0.140 0.000 0.746 182 E HN 0.302 nan 8.360 nan 0.000 0.452 183 K N -0.453 119.713 120.400 -0.390 0.000 2.353 183 K HA 0.115 4.435 4.320 -0.001 0.000 0.195 183 K C 0.679 176.777 176.600 -0.837 0.000 1.031 183 K CA 0.268 56.204 56.287 -0.585 0.000 1.079 183 K CB 0.697 32.739 32.500 -0.765 0.000 0.857 183 K HN 0.306 nan 8.250 nan 0.000 0.535 184 H N 0.280 119.220 119.070 -0.216 0.000 3.566 184 H HA 0.195 4.751 4.556 -0.001 0.000 0.259 184 H C -0.418 174.860 175.328 -0.084 0.000 1.184 184 H CA -0.225 55.752 56.048 -0.119 0.000 1.107 184 H CB 0.750 30.459 29.762 -0.089 0.000 1.726 184 H HN 0.009 nan 8.280 nan 0.000 0.743 185 K N 1.100 121.488 120.400 -0.019 0.000 3.020 185 K HA -0.179 4.141 4.320 -0.001 0.000 0.266 185 K C -0.260 176.339 176.600 -0.002 0.000 1.067 185 K CA 0.710 56.984 56.287 -0.022 0.000 0.780 185 K CB -1.595 30.891 32.500 -0.024 0.000 1.220 185 K HN 0.317 nan 8.250 nan 0.000 0.483 186 I N 0.731 121.308 120.570 0.012 0.000 2.488 186 I HA 0.340 4.510 4.170 -0.001 0.000 0.299 186 I C 0.465 176.582 176.117 0.001 0.000 0.984 186 I CA -1.011 60.295 61.300 0.011 0.000 1.250 186 I CB 1.322 39.330 38.000 0.014 0.000 1.389 186 I HN 0.087 nan 8.210 nan 0.000 0.488 187 M N 3.544 123.156 119.600 0.020 0.000 2.508 187 M HA 0.390 4.870 4.480 -0.001 0.000 0.327 187 M C 0.734 177.104 176.300 0.116 0.000 1.160 187 M CA -0.297 55.035 55.300 0.053 0.000 0.980 187 M CB 1.779 34.391 32.600 0.021 0.000 1.693 187 M HN 0.596 nan 8.290 nan 0.000 0.452 188 H N 3.123 122.242 119.070 0.083 0.000 2.253 188 H HA -0.007 4.548 4.556 -0.001 0.000 0.299 188 H C 0.624 176.060 175.328 0.179 0.000 1.064 188 H CA 3.060 59.198 56.048 0.150 0.000 1.264 188 H CB 0.320 30.157 29.762 0.125 0.000 1.371 188 H HN 0.955 nan 8.280 nan 0.000 0.493 189 R N -1.129 119.632 120.500 0.435 0.000 3.224 189 R HA -0.154 4.185 4.340 -0.001 0.000 0.473 189 R C -0.641 175.864 176.300 0.342 0.000 0.599 189 R CA 1.118 57.433 56.100 0.358 0.000 1.436 189 R CB -1.295 29.170 30.300 0.276 0.000 2.091 189 R HN 0.410 nan 8.270 nan 0.000 0.386 190 D N 0.348 121.066 120.400 0.530 0.000 3.100 190 D HA 0.200 4.840 4.640 -0.001 0.000 0.350 190 D C -0.917 175.395 176.300 0.019 0.000 1.310 190 D CA -0.116 54.051 54.000 0.277 0.000 0.741 190 D CB 0.872 41.828 40.800 0.260 0.000 1.248 190 D HN -0.010 nan 8.370 nan 0.000 0.527 191 V N 2.561 122.362 119.914 -0.188 0.000 2.572 191 V HA 0.400 4.520 4.120 -0.001 0.000 0.291 191 V C 0.429 176.372 176.094 -0.251 0.000 1.039 191 V CA 0.372 62.461 62.300 -0.353 0.000 1.055 191 V CB 0.791 32.459 31.823 -0.258 0.000 0.969 191 V HN 0.410 nan 8.190 nan 0.000 0.482 192 K N 3.533 123.735 120.400 -0.331 0.000 2.736 192 K HA 0.378 4.697 4.320 -0.001 0.000 0.290 192 K C -3.007 173.367 176.600 -0.376 0.000 1.033 192 K CA -1.402 54.525 56.287 -0.601 0.000 0.852 192 K CB 1.090 33.122 32.500 -0.780 0.000 1.494 192 K HN 0.112 nan 8.250 nan 0.000 0.378 193 P HA -0.222 nan 4.420 nan 0.000 0.218 193 P C 1.266 178.518 177.300 -0.080 0.000 1.148 193 P CA 1.871 64.888 63.100 -0.138 0.000 0.822 193 P CB 0.082 31.751 31.700 -0.051 0.000 0.784 194 S N -2.061 113.582 115.700 -0.094 0.000 2.555 194 S HA -0.012 4.458 4.470 -0.001 0.000 0.230 194 S C 1.450 176.027 174.600 -0.038 0.000 0.978 194 S CA 0.656 58.827 58.200 -0.048 0.000 0.934 194 S CB -0.925 62.252 63.200 -0.039 0.000 0.766 194 S HN 0.016 nan 8.310 nan 0.000 0.533 195 N N 0.775 119.445 118.700 -0.051 0.000 2.203 195 N HA 0.402 5.141 4.740 -0.001 0.000 0.207 195 N C -0.753 174.769 175.510 0.021 0.000 1.130 195 N CA 0.030 53.082 53.050 0.003 0.000 0.861 195 N CB 0.507 39.017 38.487 0.038 0.000 1.005 195 N HN 0.507 nan 8.380 nan 0.000 0.507 196 I N 1.517 122.081 120.570 -0.009 0.000 2.382 196 I HA 0.316 4.485 4.170 -0.001 0.000 0.286 196 I C -0.504 175.626 176.117 0.022 0.000 1.002 196 I CA -0.472 60.832 61.300 0.006 0.000 1.135 196 I CB 1.636 39.623 38.000 -0.022 0.000 1.288 196 I HN -0.337 nan 8.210 nan 0.000 0.448 197 L N 6.918 128.160 121.223 0.033 0.000 2.342 197 L HA 0.760 5.100 4.340 -0.001 0.000 0.271 197 L C -0.246 176.660 176.870 0.060 0.000 1.008 197 L CA -0.999 53.861 54.840 0.034 0.000 0.818 197 L CB 2.144 44.209 42.059 0.010 0.000 1.296 197 L HN 0.406 nan 8.230 nan 0.000 0.427 198 V N -0.376 119.595 119.914 0.095 0.000 3.126 198 V HA 0.778 4.898 4.120 -0.001 0.000 0.314 198 V C -1.094 175.069 176.094 0.116 0.000 1.138 198 V CA -0.680 61.730 62.300 0.183 0.000 1.034 198 V CB 2.111 34.167 31.823 0.387 0.000 1.075 198 V HN 0.965 nan 8.190 nan 0.000 0.442 199 N N -0.614 118.173 118.700 0.145 0.000 2.494 199 N HA 0.334 5.074 4.740 -0.001 0.000 0.270 199 N C 0.379 175.923 175.510 0.056 0.000 1.285 199 N CA -0.148 52.941 53.050 0.064 0.000 0.812 199 N CB 1.384 39.890 38.487 0.032 0.000 1.557 199 N HN 0.860 nan 8.380 nan 0.000 0.487 200 S N 0.208 115.920 115.700 0.021 0.000 2.488 200 S HA -0.181 4.289 4.470 -0.001 0.000 0.246 200 S C 0.887 175.497 174.600 0.017 0.000 0.992 200 S CA 0.627 58.827 58.200 -0.000 0.000 0.963 200 S CB -0.567 62.636 63.200 0.004 0.000 0.754 200 S HN 0.677 nan 8.310 nan 0.000 0.519 201 R N 1.054 121.581 120.500 0.046 0.000 2.320 201 R HA 0.282 4.622 4.340 -0.001 0.000 0.211 201 R C 1.424 177.780 176.300 0.093 0.000 0.931 201 R CA 0.315 56.448 56.100 0.055 0.000 1.071 201 R CB -0.477 29.852 30.300 0.049 0.000 1.025 201 R HN 0.528 nan 8.270 nan 0.000 0.495 202 G N 1.734 110.618 108.800 0.140 0.000 2.160 202 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.251 202 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.251 202 G C -0.268 174.870 174.900 0.396 0.000 1.008 202 G CA 0.034 45.337 45.100 0.338 0.000 0.724 202 G HN 0.431 nan 8.290 nan 0.000 0.514 203 E N -0.708 119.635 120.200 0.238 0.000 2.266 203 E HA 0.598 4.948 4.350 -0.001 0.000 0.277 203 E C 0.080 176.744 176.600 0.107 0.000 1.018 203 E CA -0.529 55.940 56.400 0.114 0.000 0.840 203 E CB 1.127 30.844 29.700 0.028 0.000 1.082 203 E HN 0.358 nan 8.360 nan 0.000 0.395 204 I N 3.049 123.630 120.570 0.019 0.000 2.439 204 I HA 0.299 4.469 4.170 -0.001 0.000 0.285 204 I C -0.359 175.786 176.117 0.046 0.000 1.021 204 I CA -0.507 60.789 61.300 -0.008 0.000 1.091 204 I CB 1.100 39.006 38.000 -0.157 0.000 1.242 204 I HN 0.189 nan 8.210 nan 0.000 0.439 205 K N 6.365 126.785 120.400 0.034 0.000 2.385 205 K HA 0.732 5.052 4.320 -0.001 0.000 0.248 205 K C -1.234 175.412 176.600 0.077 0.000 0.955 205 K CA -0.930 55.383 56.287 0.044 0.000 0.816 205 K CB 2.893 35.386 32.500 -0.013 0.000 1.250 205 K HN 0.378 nan 8.250 nan 0.000 0.434 206 L N 1.493 122.797 121.223 0.135 0.000 2.334 206 L HA 0.560 4.899 4.340 -0.001 0.000 0.275 206 L C 0.152 177.233 176.870 0.352 0.000 1.036 206 L CA -0.813 54.172 54.840 0.242 0.000 0.807 206 L CB 1.267 43.517 42.059 0.318 0.000 1.231 206 L HN 0.861 nan 8.230 nan 0.000 0.438 207 C N -1.300 118.186 119.300 0.309 0.000 3.259 207 C HA 0.598 5.058 4.460 -0.001 0.000 0.328 207 C C -0.272 174.723 174.990 0.008 0.000 1.425 207 C CA -0.634 58.435 59.018 0.084 0.000 1.465 207 C CB 1.791 29.521 27.740 -0.016 0.000 1.890 207 C HN 0.946 nan 8.230 nan 0.000 0.450 208 D N 0.023 120.223 120.400 -0.334 0.000 2.911 208 D HA -0.147 4.493 4.640 -0.001 0.000 0.227 208 D C -0.247 175.826 176.300 -0.378 0.000 1.164 208 D CA 1.710 55.535 54.000 -0.291 0.000 0.782 208 D CB -1.757 39.002 40.800 -0.069 0.000 1.094 208 D HN 0.762 nan 8.370 nan 0.000 0.425 209 F N -1.227 118.434 119.950 -0.481 0.000 2.382 209 F HA 0.576 5.103 4.527 -0.001 0.000 0.331 209 F C 1.613 177.225 175.800 -0.313 0.000 1.121 209 F CA -1.001 56.541 58.000 -0.762 0.000 1.183 209 F CB 0.659 39.185 39.000 -0.789 0.000 1.207 209 F HN -0.125 nan 8.300 nan 0.000 0.555 210 G N 1.421 110.212 108.800 -0.015 0.000 3.090 210 G HA2 0.193 4.152 3.960 -0.001 0.000 0.259 210 G HA3 0.193 4.152 3.960 -0.001 0.000 0.259 210 G C 0.643 175.566 174.900 0.038 0.000 0.797 210 G CA -0.016 45.092 45.100 0.015 0.000 2.032 210 G HN 0.747 nan 8.290 nan 0.000 0.614 211 V N 1.247 121.168 119.914 0.012 0.000 2.453 211 V HA 0.064 4.184 4.120 -0.001 0.000 0.247 211 V C 1.613 177.702 176.094 -0.009 0.000 1.048 211 V CA 1.932 64.244 62.300 0.019 0.000 1.049 211 V CB 0.323 32.135 31.823 -0.018 0.000 0.672 211 V HN 0.516 nan 8.190 nan 0.000 0.457 212 S N -0.427 115.255 115.700 -0.030 0.000 2.520 212 S HA 0.495 4.965 4.470 -0.001 0.000 0.324 212 S C 1.115 175.720 174.600 0.008 0.000 1.069 212 S CA -0.068 58.126 58.200 -0.011 0.000 1.121 212 S CB 1.086 64.272 63.200 -0.023 0.000 0.971 212 S HN 0.520 nan 8.310 nan 0.000 0.463 213 G N 3.170 111.983 108.800 0.022 0.000 2.432 213 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.219 213 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.219 213 G C 1.217 176.138 174.900 0.034 0.000 1.135 213 G CA 0.834 45.954 45.100 0.034 0.000 0.767 213 G HN 0.658 nan 8.290 nan 0.000 0.550 214 Q N -0.294 119.524 119.800 0.030 0.000 2.167 214 Q HA 0.024 4.363 4.340 -0.001 0.000 0.202 214 Q C 2.298 178.320 176.000 0.037 0.000 0.970 214 Q CA 0.768 56.590 55.803 0.033 0.000 0.855 214 Q CB -0.405 28.352 28.738 0.031 0.000 0.911 214 Q HN 0.397 nan 8.270 nan 0.000 0.438 215 L N -0.268 120.973 121.223 0.030 0.000 2.109 215 L HA -0.077 4.262 4.340 -0.001 0.000 0.207 215 L C 1.690 178.584 176.870 0.040 0.000 1.086 215 L CA 1.369 56.228 54.840 0.033 0.000 0.760 215 L CB -0.649 41.414 42.059 0.007 0.000 0.910 215 L HN 0.223 nan 8.230 nan 0.000 0.437 216 I N 0.649 121.240 120.570 0.035 0.000 2.069 216 I HA -0.311 3.859 4.170 -0.001 0.000 0.237 216 I C 2.197 178.348 176.117 0.058 0.000 1.053 216 I CA 1.944 63.272 61.300 0.046 0.000 1.311 216 I CB -1.596 36.435 38.000 0.052 0.000 1.030 216 I HN 0.377 nan 8.210 nan 0.000 0.398 217 D N 0.729 121.161 120.400 0.053 0.000 2.097 217 D HA -0.111 4.528 4.640 -0.001 0.000 0.197 217 D C 2.088 178.421 176.300 0.056 0.000 0.984 217 D CA 1.152 55.183 54.000 0.052 0.000 0.826 217 D CB -0.527 40.298 40.800 0.043 0.000 0.973 217 D HN 0.205 nan 8.370 nan 0.000 0.460 218 S N -0.079 115.655 115.700 0.057 0.000 2.500 218 S HA -0.066 4.404 4.470 -0.001 0.000 0.239 218 S C 1.665 176.320 174.600 0.091 0.000 0.989 218 S CA 0.713 58.951 58.200 0.062 0.000 0.951 218 S CB -0.033 63.205 63.200 0.063 0.000 0.759 218 S HN 0.286 nan 8.310 nan 0.000 0.523 219 M N 0.299 119.965 119.600 0.110 0.000 3.160 219 M HA 0.380 4.860 4.480 -0.001 0.000 0.222 219 M C 0.683 177.093 176.300 0.184 0.000 1.703 219 M CA 0.295 55.705 55.300 0.182 0.000 1.354 219 M CB 0.075 32.762 32.600 0.145 0.000 1.115 219 M HN 0.079 nan 8.290 nan 0.000 0.594 220 A N 2.168 125.062 122.820 0.123 0.000 3.110 220 A HA 0.082 4.402 4.320 -0.001 0.000 0.265 220 A C -0.015 177.620 177.584 0.085 0.000 1.962 220 A CA 0.742 52.841 52.037 0.103 0.000 1.493 220 A CB -1.294 17.748 19.000 0.071 0.000 0.941 220 A HN 0.714 nan 8.150 nan 0.000 0.610 221 N N -1.132 117.625 118.700 0.095 0.000 2.946 221 N HA 0.099 4.839 4.740 -0.001 0.000 0.245 221 N C 0.257 175.791 175.510 0.040 0.000 1.492 221 N CA 0.253 53.334 53.050 0.052 0.000 1.365 221 N CB 0.426 38.933 38.487 0.033 0.000 0.872 221 N HN 0.088 nan 8.380 nan 0.000 0.966 222 S N 0.325 116.018 115.700 -0.012 0.000 3.324 222 S HA 0.453 4.923 4.470 -0.001 0.000 0.229 222 S C -1.246 173.253 174.600 -0.169 0.000 1.417 222 S CA -0.070 58.064 58.200 -0.111 0.000 1.211 222 S CB -0.947 62.130 63.200 -0.206 0.000 1.157 222 S HN 0.277 nan 8.310 nan 0.000 0.491 223 F N 0.117 120.080 119.950 0.021 0.000 2.871 223 F HA 0.112 4.639 4.527 -0.001 0.000 0.322 223 F C -0.707 175.104 175.800 0.018 0.000 1.029 223 F CA -0.994 57.018 58.000 0.020 0.000 1.197 223 F CB 0.919 39.934 39.000 0.023 0.000 1.478 223 F HN -0.124 nan 8.300 nan 0.000 0.709 224 V N 2.083 122.136 119.914 0.233 0.000 2.713 224 V HA 0.901 5.020 4.120 -0.001 0.000 0.307 224 V C 0.159 176.283 176.094 0.049 0.000 1.052 224 V CA -0.670 61.697 62.300 0.112 0.000 0.967 224 V CB 1.845 33.720 31.823 0.086 0.000 1.019 224 V HN 0.822 nan 8.190 nan 0.000 0.459 225 G N -0.066 108.751 108.800 0.029 0.000 2.760 225 G HA2 0.459 4.419 3.960 -0.001 0.000 0.285 225 G HA3 0.459 4.419 3.960 -0.001 0.000 0.285 225 G C -0.288 174.630 174.900 0.031 0.000 1.496 225 G CA -0.483 44.620 45.100 0.004 0.000 1.026 225 G HN 0.701 nan 8.290 nan 0.000 0.536 226 T N 0.971 115.542 114.554 0.028 0.000 2.343 226 T HA -0.197 4.153 4.350 -0.001 0.000 0.183 226 T C 1.527 176.272 174.700 0.074 0.000 1.034 226 T CA 0.924 63.046 62.100 0.037 0.000 1.198 226 T CB 0.005 68.889 68.868 0.027 0.000 0.977 226 T HN 0.639 nan 8.240 nan 0.000 0.433 227 R N 2.812 123.338 120.500 0.043 0.000 2.466 227 R HA 0.155 4.494 4.340 -0.001 0.000 0.279 227 R C 2.162 178.496 176.300 0.056 0.000 0.976 227 R CA 0.457 56.591 56.100 0.056 0.000 1.081 227 R CB 0.104 30.417 30.300 0.020 0.000 1.215 227 R HN 0.647 nan 8.270 nan 0.000 0.546 228 S N -0.225 115.475 115.700 -0.000 0.000 2.555 228 S HA -0.087 4.383 4.470 -0.001 0.000 0.230 228 S C 0.728 175.277 174.600 -0.086 0.000 0.978 228 S CA 0.407 58.524 58.200 -0.138 0.000 0.934 228 S CB -0.256 62.653 63.200 -0.485 0.000 0.766 228 S HN 0.480 nan 8.310 nan 0.000 0.533 229 Y N 0.309 120.729 120.300 0.200 0.000 2.660 229 Y HA 0.528 5.078 4.550 -0.001 0.000 0.254 229 Y C 0.548 176.640 175.900 0.321 0.000 1.176 229 Y CA -0.805 57.475 58.100 0.300 0.000 1.195 229 Y CB 0.001 38.580 38.460 0.199 0.000 1.190 229 Y HN 0.192 nan 8.280 nan 0.000 0.535 230 M N 1.049 120.827 119.600 0.297 0.000 2.235 230 M HA 0.206 4.686 4.480 -0.001 0.000 0.351 230 M C 0.580 176.791 176.300 -0.148 0.000 1.178 230 M CA -0.243 55.124 55.300 0.111 0.000 1.143 230 M CB 0.817 33.420 32.600 0.004 0.000 1.530 230 M HN 0.243 nan 8.290 nan 0.000 0.461 231 S N 3.032 118.504 115.700 -0.379 0.000 2.584 231 S HA 0.220 4.689 4.470 -0.001 0.000 0.270 231 S C -2.158 171.991 174.600 -0.752 0.000 1.346 231 S CA -1.157 56.398 58.200 -1.073 0.000 1.018 231 S CB 0.133 63.014 63.200 -0.532 0.000 0.899 231 S HN 0.495 nan 8.310 nan 0.000 0.542 232 P HA -0.184 nan 4.420 nan 0.000 0.216 232 P C 1.696 178.806 177.300 -0.317 0.000 1.150 232 P CA 1.399 64.197 63.100 -0.504 0.000 0.837 232 P CB -0.064 31.352 31.700 -0.474 0.000 0.786 233 E N 0.359 120.390 120.200 -0.282 0.000 2.150 233 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 233 E C 1.931 178.412 176.600 -0.198 0.000 0.985 233 E CA 1.192 57.475 56.400 -0.195 0.000 0.814 233 E CB -0.726 28.917 29.700 -0.096 0.000 0.752 233 E HN 0.247 nan 8.360 nan 0.000 0.466 234 R N 0.136 120.502 120.500 -0.223 0.000 2.153 234 R HA 0.167 4.507 4.340 -0.001 0.000 0.218 234 R C 2.538 178.703 176.300 -0.226 0.000 1.072 234 R CA 0.617 56.548 56.100 -0.281 0.000 0.990 234 R CB -0.081 29.990 30.300 -0.381 0.000 0.889 234 R HN 0.197 nan 8.270 nan 0.000 0.452 235 L N 0.132 121.236 121.223 -0.198 0.000 2.395 235 L HA -0.057 4.283 4.340 -0.001 0.000 0.218 235 L C 1.946 178.742 176.870 -0.124 0.000 1.130 235 L CA 0.896 55.651 54.840 -0.142 0.000 0.826 235 L CB -0.047 41.937 42.059 -0.127 0.000 0.941 235 L HN 0.151 nan 8.230 nan 0.000 0.451 236 Q N -0.493 119.219 119.800 -0.146 0.000 2.360 236 Q HA 0.076 4.416 4.340 -0.001 0.000 0.202 236 Q C 1.593 177.518 176.000 -0.125 0.000 0.915 236 Q CA 0.546 56.273 55.803 -0.127 0.000 0.943 236 Q CB 0.603 29.255 28.738 -0.144 0.000 1.064 236 Q HN 0.568 nan 8.270 nan 0.000 0.511 237 G N 0.988 109.707 108.800 -0.134 0.000 2.284 237 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.247 237 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.247 237 G C 0.656 175.484 174.900 -0.121 0.000 1.012 237 G CA 0.596 45.629 45.100 -0.112 0.000 0.618 237 G HN 0.466 nan 8.290 nan 0.000 0.521 238 T N 1.031 115.468 114.554 -0.194 0.000 2.600 238 T HA 0.332 4.682 4.350 -0.001 0.000 0.369 238 T C 0.982 175.546 174.700 -0.227 0.000 1.055 238 T CA 0.474 62.376 62.100 -0.329 0.000 1.051 238 T CB -0.149 68.326 68.868 -0.655 0.000 1.106 238 T HN 0.925 nan 8.240 nan 0.000 0.524 239 H N -0.139 118.969 119.070 0.064 0.000 3.073 239 H HA 0.174 4.730 4.556 -0.001 0.000 0.340 239 H C -0.470 174.970 175.328 0.187 0.000 1.054 239 H CA -0.272 55.836 56.048 0.101 0.000 1.372 239 H CB -0.297 29.495 29.762 0.050 0.000 1.314 239 H HN 0.868 nan 8.280 nan 0.000 0.603 240 Y N 0.469 120.844 120.300 0.125 0.000 2.348 240 Y HA 0.410 4.959 4.550 -0.001 0.000 0.321 240 Y C -1.355 174.585 175.900 0.067 0.000 1.163 240 Y CA -0.579 57.568 58.100 0.079 0.000 1.070 240 Y CB 1.106 39.588 38.460 0.036 0.000 1.250 240 Y HN 0.894 nan 8.280 nan 0.000 0.425 241 S N 2.573 118.284 115.700 0.017 0.000 2.788 241 S HA 0.413 4.883 4.470 -0.001 0.000 0.291 241 S C 0.502 175.112 174.600 0.016 0.000 1.061 241 S CA -0.124 58.027 58.200 -0.082 0.000 0.923 241 S CB 0.821 64.003 63.200 -0.031 0.000 1.339 241 S HN 1.218 nan 8.310 nan 0.000 0.591 242 V N 1.388 121.311 119.914 0.015 0.000 3.383 242 V HA -0.038 4.082 4.120 -0.001 0.000 0.272 242 V C 1.640 177.785 176.094 0.085 0.000 1.181 242 V CA 1.329 63.663 62.300 0.058 0.000 1.171 242 V CB -1.115 30.727 31.823 0.032 0.000 0.800 242 V HN 0.667 nan 8.190 nan 0.000 0.515 243 Q N -0.560 119.295 119.800 0.091 0.000 2.311 243 Q HA -0.046 4.293 4.340 -0.001 0.000 0.203 243 Q C 2.403 178.503 176.000 0.168 0.000 0.954 243 Q CA 1.429 57.296 55.803 0.106 0.000 0.885 243 Q CB -0.133 28.660 28.738 0.093 0.000 0.963 243 Q HN 0.647 nan 8.270 nan 0.000 0.471 244 S N 1.165 116.985 115.700 0.200 0.000 2.383 244 S HA -0.104 4.366 4.470 -0.001 0.000 0.227 244 S C 1.278 176.034 174.600 0.259 0.000 1.026 244 S CA 0.935 59.281 58.200 0.242 0.000 0.981 244 S CB 0.041 63.438 63.200 0.328 0.000 0.818 244 S HN 0.316 nan 8.310 nan 0.000 0.472 245 D N 1.203 121.727 120.400 0.207 0.000 2.178 245 D HA 0.011 4.651 4.640 -0.001 0.000 0.202 245 D C 1.768 178.133 176.300 0.108 0.000 0.974 245 D CA 0.720 54.812 54.000 0.153 0.000 0.841 245 D CB -0.228 40.651 40.800 0.132 0.000 0.953 245 D HN 0.378 nan 8.370 nan 0.000 0.478 246 I N 0.473 121.105 120.570 0.103 0.000 2.315 246 I HA -0.198 3.972 4.170 -0.001 0.000 0.248 246 I C 2.466 178.610 176.117 0.046 0.000 1.117 246 I CA 0.619 61.943 61.300 0.040 0.000 1.404 246 I CB -0.075 37.937 38.000 0.020 0.000 1.071 246 I HN 0.191 nan 8.210 nan 0.000 0.419 247 W N 1.795 123.086 121.300 -0.014 0.000 2.355 247 W HA -0.216 4.444 4.660 -0.000 0.000 0.309 247 W C 2.385 178.911 176.519 0.011 0.000 1.206 247 W CA 1.835 59.174 57.345 -0.010 0.000 1.284 247 W CB -0.458 29.013 29.460 0.019 0.000 1.145 247 W HN 0.061 nan 8.180 nan 0.000 0.502 248 S N 1.128 116.971 115.700 0.238 0.000 2.368 248 S HA -0.252 4.217 4.470 -0.001 0.000 0.224 248 S C 1.925 176.513 174.600 -0.019 0.000 1.029 248 S CA 1.711 60.024 58.200 0.187 0.000 0.988 248 S CB -0.680 62.657 63.200 0.229 0.000 0.838 248 S HN 0.414 nan 8.310 nan 0.000 0.462 249 M N 1.705 121.276 119.600 -0.049 0.000 2.086 249 M HA -0.097 4.382 4.480 -0.001 0.000 0.261 249 M C 2.132 178.364 176.300 -0.114 0.000 1.067 249 M CA 1.961 57.218 55.300 -0.071 0.000 1.116 249 M CB -0.789 31.785 32.600 -0.044 0.000 1.348 249 M HN 0.380 nan 8.290 nan 0.000 0.407 250 G N 0.799 109.467 108.800 -0.220 0.000 2.418 250 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.217 250 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.217 250 G C 1.329 176.020 174.900 -0.348 0.000 1.158 250 G CA 1.014 45.922 45.100 -0.320 0.000 0.771 250 G HN 0.463 nan 8.290 nan 0.000 0.545 251 L N 1.262 122.222 121.223 -0.437 0.000 2.042 251 L HA -0.028 4.311 4.340 -0.001 0.000 0.210 251 L C 2.928 179.753 176.870 -0.075 0.000 1.076 251 L CA 2.396 57.032 54.840 -0.340 0.000 0.749 251 L CB -0.710 41.175 42.059 -0.290 0.000 0.893 251 L HN 0.184 nan 8.230 nan 0.000 0.432 252 S N -0.565 115.145 115.700 0.017 0.000 2.368 252 S HA -0.133 4.337 4.470 -0.001 0.000 0.225 252 S C 1.938 176.552 174.600 0.023 0.000 1.030 252 S CA 1.550 59.787 58.200 0.062 0.000 0.999 252 S CB -0.432 62.739 63.200 -0.047 0.000 0.844 252 S HN 0.444 nan 8.310 nan 0.000 0.459 253 L N 1.023 122.237 121.223 -0.014 0.000 2.046 253 L HA -0.084 4.256 4.340 -0.001 0.000 0.208 253 L C 2.327 179.186 176.870 -0.017 0.000 1.077 253 L CA 0.836 55.697 54.840 0.035 0.000 0.747 253 L CB -0.664 41.456 42.059 0.102 0.000 0.896 253 L HN 0.196 nan 8.230 nan 0.000 0.432 254 V N -0.198 119.629 119.914 -0.144 0.000 2.343 254 V HA -0.296 3.823 4.120 -0.001 0.000 0.247 254 V C 2.473 178.507 176.094 -0.100 0.000 1.051 254 V CA 1.957 64.126 62.300 -0.219 0.000 1.036 254 V CB -0.476 31.170 31.823 -0.295 0.000 0.654 254 V HN 0.507 nan 8.190 nan 0.000 0.451 255 E N -0.259 119.913 120.200 -0.046 0.000 2.058 255 E HA -0.260 4.090 4.350 -0.001 0.000 0.194 255 E C 2.247 178.895 176.600 0.082 0.000 0.997 255 E CA 1.699 58.117 56.400 0.030 0.000 0.801 255 E CB -0.135 29.643 29.700 0.129 0.000 0.746 255 E HN 0.534 nan 8.360 nan 0.000 0.450 256 M N -0.068 119.584 119.600 0.087 0.000 2.229 256 M HA -0.094 4.385 4.480 -0.001 0.000 0.264 256 M C 2.276 178.661 176.300 0.142 0.000 1.063 256 M CA 1.328 56.695 55.300 0.112 0.000 1.114 256 M CB 0.046 32.702 32.600 0.093 0.000 1.387 256 M HN 0.202 nan 8.290 nan 0.000 0.420 257 A N -0.294 122.603 122.820 0.128 0.000 1.930 257 A HA -0.091 4.228 4.320 -0.001 0.000 0.217 257 A C 2.064 179.871 177.584 0.372 0.000 1.175 257 A CA 1.777 53.934 52.037 0.200 0.000 0.627 257 A CB -0.855 18.105 19.000 -0.067 0.000 0.815 257 A HN 0.440 nan 8.150 nan 0.000 0.443 258 V N -4.188 115.892 119.914 0.277 0.000 3.307 258 V HA 0.509 4.629 4.120 -0.001 0.000 0.253 258 V C 1.373 177.572 176.094 0.175 0.000 1.149 258 V CA 1.068 63.609 62.300 0.402 0.000 1.112 258 V CB -0.532 31.516 31.823 0.374 0.000 0.777 258 V HN 1.604 nan 8.190 nan 0.000 0.464 259 G N 0.564 109.441 108.800 0.130 0.000 2.142 259 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.225 259 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.225 259 G C 0.065 175.003 174.900 0.062 0.000 1.015 259 G CA 0.361 45.509 45.100 0.080 0.000 0.716 259 G HN 0.993 nan 8.290 nan 0.000 0.508 260 R N -1.368 119.176 120.500 0.073 0.000 2.644 260 R HA 0.382 4.721 4.340 -0.001 0.000 0.257 260 R C -0.872 175.471 176.300 0.070 0.000 1.082 260 R CA -0.934 55.208 56.100 0.069 0.000 0.927 260 R CB 0.628 30.950 30.300 0.037 0.000 1.258 260 R HN 0.509 nan 8.270 nan 0.000 0.459 261 Y N 6.571 126.868 120.300 -0.005 0.000 2.713 261 Y HA 0.131 4.681 4.550 -0.001 0.000 0.341 261 Y C -1.561 174.297 175.900 -0.069 0.000 1.167 261 Y CA -1.259 56.817 58.100 -0.041 0.000 1.503 261 Y CB 0.961 39.370 38.460 -0.085 0.000 1.199 261 Y HN 0.506 nan 8.280 nan 0.000 0.525 262 P HA -0.121 nan 4.420 nan 0.000 0.223 262 P C -0.408 176.630 177.300 -0.437 0.000 1.144 262 P CA 1.275 64.105 63.100 -0.449 0.000 0.783 262 P CB 0.151 31.633 31.700 -0.362 0.000 0.771 263 I N 1.978 122.175 120.570 -0.622 0.000 2.412 263 I HA 0.337 4.507 4.170 -0.001 0.000 0.296 263 I C -1.960 173.994 176.117 -0.271 0.000 0.987 263 I CA -2.846 58.211 61.300 -0.406 0.000 1.180 263 I CB 1.434 39.265 38.000 -0.282 0.000 1.340 263 I HN -0.170 nan 8.210 nan 0.000 0.455 264 P HA 0.356 nan 4.420 nan 0.000 0.279 264 P C -2.768 174.340 177.300 -0.321 0.000 1.282 264 P CA -1.870 60.819 63.100 -0.685 0.000 0.788 264 P CB -0.326 30.964 31.700 -0.683 0.000 1.139 265 P HA 0.206 nan 4.420 nan 0.000 0.271 265 P C -2.268 174.998 177.300 -0.056 0.000 1.216 265 P CA -1.043 62.004 63.100 -0.089 0.000 0.771 265 P CB -1.311 30.383 31.700 -0.010 0.000 0.864 266 P HA 0.073 nan 4.420 nan 0.000 0.264 266 P C -0.607 176.701 177.300 0.012 0.000 1.236 266 P CA 0.238 63.336 63.100 -0.003 0.000 0.811 266 P CB -0.176 31.543 31.700 0.031 0.000 0.840 267 D N 3.326 123.731 120.400 0.008 0.000 2.368 267 D HA 0.160 4.799 4.640 -0.001 0.000 0.268 267 D C 1.574 177.889 176.300 0.024 0.000 1.298 267 D CA 0.749 54.758 54.000 0.016 0.000 0.938 267 D CB 0.238 41.045 40.800 0.013 0.000 1.101 267 D HN 0.336 nan 8.370 nan 0.000 0.509 268 A N 4.659 127.495 122.820 0.028 0.000 1.780 268 A HA -0.405 3.914 4.320 -0.001 0.000 0.296 268 A C 2.150 179.757 177.584 0.038 0.000 3.276 268 A CA 1.922 53.979 52.037 0.033 0.000 0.836 268 A CB -0.570 18.445 19.000 0.025 0.000 0.792 268 A HN 0.487 nan 8.150 nan 0.000 0.586 269 K N -0.766 119.652 120.400 0.029 0.000 2.366 269 K HA 0.040 4.360 4.320 -0.001 0.000 0.198 269 K C 1.752 178.369 176.600 0.028 0.000 1.044 269 K CA 1.141 57.443 56.287 0.026 0.000 0.973 269 K CB -0.245 32.266 32.500 0.018 0.000 0.767 269 K HN 0.808 nan 8.250 nan 0.000 0.475 270 E N 0.240 120.457 120.200 0.030 0.000 2.274 270 E HA -0.048 4.302 4.350 -0.001 0.000 0.194 270 E C 1.734 178.363 176.600 0.048 0.000 0.996 270 E CA 0.386 56.802 56.400 0.026 0.000 0.840 270 E CB 0.163 29.876 29.700 0.022 0.000 0.772 270 E HN 0.173 nan 8.360 nan 0.000 0.491 271 L N 0.305 121.577 121.223 0.082 0.000 2.162 271 L HA -0.063 4.276 4.340 -0.001 0.000 0.205 271 L C 2.454 179.415 176.870 0.152 0.000 1.086 271 L CA 0.631 55.567 54.840 0.160 0.000 0.778 271 L CB -0.063 42.101 42.059 0.175 0.000 0.928 271 L HN 0.097 nan 8.230 nan 0.000 0.446 272 E N 0.578 120.831 120.200 0.088 0.000 2.110 272 E HA -0.215 4.134 4.350 -0.001 0.000 0.193 272 E C 2.207 178.832 176.600 0.041 0.000 0.988 272 E CA 1.119 57.560 56.400 0.069 0.000 0.804 272 E CB 0.034 29.760 29.700 0.043 0.000 0.745 272 E HN 0.500 nan 8.360 nan 0.000 0.458 273 L N -0.468 120.765 121.223 0.017 0.000 2.141 273 L HA -0.129 4.211 4.340 -0.001 0.000 0.209 273 L C 2.618 179.450 176.870 -0.063 0.000 1.094 273 L CA 0.696 55.527 54.840 -0.016 0.000 0.763 273 L CB -0.520 41.528 42.059 -0.018 0.000 0.908 273 L HN 0.139 nan 8.230 nan 0.000 0.437 274 M N -0.051 119.494 119.600 -0.091 0.000 2.101 274 M HA -0.109 4.371 4.480 -0.001 0.000 0.259 274 M C 1.655 177.657 176.300 -0.497 0.000 1.083 274 M CA 2.131 57.228 55.300 -0.337 0.000 1.114 274 M CB -0.215 32.152 32.600 -0.388 0.000 1.281 274 M HN 0.121 nan 8.290 nan 0.000 0.422 275 F N -1.297 118.658 119.950 0.008 0.000 2.678 275 F HA 0.416 4.943 4.527 -0.001 0.000 0.305 275 F C 1.367 177.154 175.800 -0.022 0.000 1.090 275 F CA 0.328 58.319 58.000 -0.016 0.000 1.272 275 F CB -0.010 38.959 39.000 -0.051 0.000 1.060 275 F HN 0.405 nan 8.300 nan 0.000 0.576 276 G N -0.516 108.356 108.800 0.120 0.000 2.163 276 G HA2 -0.011 3.949 3.960 -0.001 0.000 0.213 276 G HA3 -0.011 3.949 3.960 -0.001 0.000 0.213 276 G C 0.026 174.966 174.900 0.067 0.000 0.991 276 G CA -0.376 44.765 45.100 0.069 0.000 0.653 276 G HN 0.893 nan 8.290 nan 0.000 0.518 308 M N 0.785 120.332 119.600 -0.090 0.000 2.149 308 M HA 0.636 5.115 4.480 -0.001 0.000 0.342 308 M C -0.087 176.086 176.300 -0.211 0.000 1.068 308 M CA -0.543 54.681 55.300 -0.128 0.000 0.991 308 M CB 1.478 34.013 32.600 -0.109 0.000 1.596 308 M HN 0.580 nan 8.290 nan 0.000 0.439 309 A N 2.810 125.426 122.820 -0.341 0.000 2.386 309 A HA 0.156 4.475 4.320 -0.001 0.000 0.248 309 A C 1.080 178.278 177.584 -0.643 0.000 1.082 309 A CA -0.375 51.315 52.037 -0.578 0.000 0.789 309 A CB 0.210 18.604 19.000 -1.010 0.000 1.025 309 A HN 0.952 nan 8.150 nan 0.000 0.490 310 I N 1.238 121.506 120.570 -0.503 0.000 2.103 310 I HA -0.365 3.805 4.170 -0.001 0.000 0.241 310 I C 2.003 177.989 176.117 -0.218 0.000 1.036 310 I CA 2.856 63.985 61.300 -0.284 0.000 1.300 310 I CB -0.749 37.176 38.000 -0.124 0.000 1.010 310 I HN 0.781 nan 8.210 nan 0.000 0.406 311 F N -0.026 119.924 119.950 -0.001 0.000 2.216 311 F HA -0.065 4.462 4.527 -0.001 0.000 0.300 311 F C 2.243 178.057 175.800 0.024 0.000 1.085 311 F CA 1.371 59.376 58.000 0.007 0.000 1.326 311 F CB -1.614 37.388 39.000 0.003 0.000 1.027 311 F HN 0.149 nan 8.300 nan 0.000 0.497 312 E N 0.530 120.651 120.200 -0.132 0.000 2.150 312 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 312 E C 2.069 178.707 176.600 0.064 0.000 0.985 312 E CA 0.994 57.413 56.400 0.031 0.000 0.814 312 E CB -0.241 29.411 29.700 -0.079 0.000 0.752 312 E HN 0.410 nan 8.360 nan 0.000 0.466 313 L N 0.668 121.884 121.223 -0.012 0.000 2.007 313 L HA -0.106 4.234 4.340 -0.001 0.000 0.205 313 L C 1.878 178.821 176.870 0.121 0.000 1.073 313 L CA 1.626 56.497 54.840 0.051 0.000 0.744 313 L CB -0.660 41.382 42.059 -0.029 0.000 0.898 313 L HN 0.123 nan 8.230 nan 0.000 0.435 314 L N -0.017 121.250 121.223 0.074 0.000 2.127 314 L HA -0.230 4.110 4.340 -0.001 0.000 0.211 314 L C 2.451 179.367 176.870 0.076 0.000 1.089 314 L CA 1.629 56.512 54.840 0.072 0.000 0.757 314 L CB -1.016 41.070 42.059 0.046 0.000 0.899 314 L HN 0.487 nan 8.230 nan 0.000 0.434 315 D N -0.337 120.121 120.400 0.097 0.000 2.117 315 D HA -0.247 4.393 4.640 -0.001 0.000 0.198 315 D C 2.094 178.433 176.300 0.066 0.000 0.982 315 D CA 1.144 55.186 54.000 0.071 0.000 0.828 315 D CB 0.047 40.902 40.800 0.091 0.000 0.967 315 D HN 0.299 nan 8.370 nan 0.000 0.464 316 Y N 1.533 121.845 120.300 0.020 0.000 2.053 316 Y HA -0.249 4.301 4.550 -0.000 0.000 0.277 316 Y C 2.464 178.378 175.900 0.023 0.000 1.159 316 Y CA 1.780 59.893 58.100 0.021 0.000 1.125 316 Y CB -0.488 37.988 38.460 0.027 0.000 0.969 316 Y HN -0.041 nan 8.280 nan 0.000 0.492 317 I N -1.209 119.519 120.570 0.263 0.000 2.151 317 I HA -0.385 3.785 4.170 -0.001 0.000 0.243 317 I C 2.225 178.345 176.117 0.006 0.000 1.080 317 I CA 1.649 63.053 61.300 0.174 0.000 1.339 317 I CB -0.671 37.409 38.000 0.134 0.000 1.039 317 I HN 0.083 nan 8.210 nan 0.000 0.409 318 V N 0.828 120.719 119.914 -0.039 0.000 2.453 318 V HA -0.186 3.934 4.120 -0.001 0.000 0.247 318 V C 1.801 177.841 176.094 -0.090 0.000 1.048 318 V CA 1.781 64.027 62.300 -0.090 0.000 1.049 318 V CB -0.637 31.137 31.823 -0.083 0.000 0.672 318 V HN 0.457 nan 8.190 nan 0.000 0.457 319 N N -1.196 117.440 118.700 -0.107 0.000 2.388 319 N HA 0.065 4.805 4.740 -0.001 0.000 0.176 319 N C 0.761 176.152 175.510 -0.198 0.000 1.062 319 N CA 0.290 53.257 53.050 -0.138 0.000 0.895 319 N CB 0.311 38.719 38.487 -0.131 0.000 1.018 319 N HN 0.426 nan 8.380 nan 0.000 0.456 320 E N 0.777 120.797 120.200 -0.299 0.000 2.239 320 E HA 0.434 4.784 4.350 -0.001 0.000 0.261 320 E C -2.327 174.210 176.600 -0.106 0.000 1.016 320 E CA -2.084 54.111 56.400 -0.341 0.000 0.882 320 E CB 0.287 29.452 29.700 -0.892 0.000 1.190 320 E HN -0.059 nan 8.360 nan 0.000 0.415 321 P HA 0.153 nan 4.420 nan 0.000 0.275 321 P C -2.298 175.060 177.300 0.097 0.000 1.228 321 P CA -0.935 62.181 63.100 0.027 0.000 0.786 321 P CB -0.254 31.453 31.700 0.013 0.000 0.927 322 P HA 0.145 nan 4.420 nan 0.000 0.270 322 P C -2.494 174.825 177.300 0.032 0.000 1.227 322 P CA -0.974 62.220 63.100 0.156 0.000 0.788 322 P CB -1.032 30.758 31.700 0.151 0.000 0.926 323 P HA 0.193 nan 4.420 nan 0.000 0.272 323 P C -0.326 176.875 177.300 -0.165 0.000 1.223 323 P CA 0.079 63.110 63.100 -0.115 0.000 0.784 323 P CB 0.385 31.961 31.700 -0.207 0.000 0.923 324 K N 1.151 121.459 120.400 -0.153 0.000 2.443 324 K HA 0.525 4.844 4.320 -0.001 0.000 0.251 324 K C -0.916 175.556 176.600 -0.213 0.000 0.972 324 K CA -1.006 55.167 56.287 -0.190 0.000 0.833 324 K CB 1.167 33.585 32.500 -0.136 0.000 1.317 324 K HN 0.196 nan 8.250 nan 0.000 0.441 325 L N 2.438 123.485 121.223 -0.293 0.000 2.397 325 L HA 0.259 4.599 4.340 -0.001 0.000 0.271 325 L C -1.810 174.982 176.870 -0.130 0.000 1.148 325 L CA -1.883 52.774 54.840 -0.305 0.000 0.825 325 L CB 0.491 42.212 42.059 -0.564 0.000 1.117 325 L HN 0.542 nan 8.230 nan 0.000 0.456 326 P HA 0.008 nan 4.420 nan 0.000 0.265 326 P C -0.507 176.775 177.300 -0.029 0.000 1.193 326 P CA -0.238 62.831 63.100 -0.052 0.000 0.765 326 P CB 0.901 32.518 31.700 -0.138 0.000 0.823 327 S N 1.495 117.167 115.700 -0.046 0.000 2.669 327 S HA 0.531 5.001 4.470 -0.001 0.000 0.270 327 S C 1.370 175.928 174.600 -0.070 0.000 1.225 327 S CA 0.385 58.563 58.200 -0.036 0.000 0.991 327 S CB 0.473 63.654 63.200 -0.031 0.000 0.987 327 S HN 0.882 nan 8.310 nan 0.000 0.552 328 G N -0.101 108.665 108.800 -0.057 0.000 2.507 328 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.240 328 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.240 328 G C 0.917 175.731 174.900 -0.144 0.000 1.119 328 G CA 0.811 45.864 45.100 -0.078 0.000 0.664 328 G HN 1.542 nan 8.290 nan 0.000 0.516 329 V N -0.943 118.811 119.914 -0.266 0.000 2.407 329 V HA 0.382 4.501 4.120 -0.001 0.000 0.245 329 V C 1.512 177.216 176.094 -0.651 0.000 1.041 329 V CA 1.735 63.709 62.300 -0.545 0.000 1.040 329 V CB -0.733 30.485 31.823 -1.008 0.000 0.671 329 V HN 0.292 nan 8.190 nan 0.000 0.455 330 F N 0.818 120.716 119.950 -0.087 0.000 2.497 330 F HA 0.622 5.148 4.527 -0.000 0.000 0.331 330 F C 0.948 176.769 175.800 0.035 0.000 1.060 330 F CA -0.592 57.424 58.000 0.026 0.000 0.989 330 F CB 1.117 40.167 39.000 0.084 0.000 1.245 330 F HN 0.002 nan 8.300 nan 0.000 0.486 331 S N 0.961 116.832 115.700 0.285 0.000 2.584 331 S HA 0.215 4.685 4.470 -0.001 0.000 0.270 331 S C 0.804 175.505 174.600 0.168 0.000 1.346 331 S CA -0.598 57.714 58.200 0.186 0.000 1.018 331 S CB 0.514 63.827 63.200 0.189 0.000 0.899 331 S HN 0.689 nan 8.310 nan 0.000 0.542 332 L N 0.891 122.184 121.223 0.117 0.000 2.156 332 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 332 L C 2.767 179.707 176.870 0.118 0.000 1.095 332 L CA 1.230 56.122 54.840 0.085 0.000 0.770 332 L CB -0.581 41.514 42.059 0.060 0.000 0.914 332 L HN 0.800 nan 8.230 nan 0.000 0.439 333 E N -0.288 120.018 120.200 0.177 0.000 2.077 333 E HA -0.257 4.093 4.350 -0.001 0.000 0.193 333 E C 1.976 178.736 176.600 0.267 0.000 0.989 333 E CA 1.333 57.904 56.400 0.285 0.000 0.800 333 E CB -0.151 29.741 29.700 0.320 0.000 0.746 333 E HN 0.312 nan 8.360 nan 0.000 0.452 334 F N 2.072 121.958 119.950 -0.106 0.000 2.146 334 F HA -0.140 4.387 4.527 -0.001 0.000 0.298 334 F C 2.035 177.631 175.800 -0.340 0.000 1.096 334 F CA 1.492 59.144 58.000 -0.581 0.000 1.275 334 F CB -0.278 38.385 39.000 -0.561 0.000 1.008 334 F HN -0.065 nan 8.300 nan 0.000 0.480 335 Q N -0.416 119.235 119.800 -0.249 0.000 2.084 335 Q HA -0.244 4.096 4.340 -0.001 0.000 0.202 335 Q C 1.898 177.769 176.000 -0.216 0.000 0.978 335 Q CA 1.936 57.542 55.803 -0.328 0.000 0.844 335 Q CB -0.448 28.196 28.738 -0.157 0.000 0.898 335 Q HN 0.453 nan 8.270 nan 0.000 0.426 336 D N 0.006 120.380 120.400 -0.044 0.000 2.117 336 D HA -0.188 4.452 4.640 -0.001 0.000 0.197 336 D C 1.512 177.812 176.300 0.000 0.000 0.987 336 D CA 0.802 54.833 54.000 0.051 0.000 0.829 336 D CB -0.127 40.792 40.800 0.198 0.000 0.961 336 D HN 0.150 nan 8.370 nan 0.000 0.460 337 F N 0.826 120.599 119.950 -0.295 0.000 2.065 337 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 337 F C 2.266 177.820 175.800 -0.411 0.000 1.112 337 F CA 2.233 59.855 58.000 -0.630 0.000 1.212 337 F CB -0.696 37.917 39.000 -0.645 0.000 0.975 337 F HN 0.050 nan 8.300 nan 0.000 0.476 338 V N -1.658 117.999 119.914 -0.429 0.000 2.453 338 V HA -0.230 3.889 4.120 -0.001 0.000 0.247 338 V C 1.872 177.715 176.094 -0.418 0.000 1.048 338 V CA 2.276 64.278 62.300 -0.498 0.000 1.049 338 V CB -1.388 30.080 31.823 -0.591 0.000 0.672 338 V HN 0.465 nan 8.190 nan 0.000 0.457 339 N N 0.614 119.120 118.700 -0.324 0.000 2.149 339 N HA -0.152 4.588 4.740 -0.001 0.000 0.188 339 N C 1.800 177.199 175.510 -0.185 0.000 1.019 339 N CA 1.538 54.457 53.050 -0.219 0.000 0.857 339 N CB -0.198 38.203 38.487 -0.143 0.000 0.997 339 N HN 0.556 nan 8.380 nan 0.000 0.426 340 K N -0.125 120.147 120.400 -0.214 0.000 2.366 340 K HA 0.059 4.379 4.320 -0.001 0.000 0.198 340 K C 1.562 178.041 176.600 -0.202 0.000 1.044 340 K CA 0.434 56.622 56.287 -0.166 0.000 0.973 340 K CB 0.207 32.632 32.500 -0.125 0.000 0.767 340 K HN 0.292 nan 8.250 nan 0.000 0.475 341 C N 0.317 119.426 119.300 -0.319 0.000 2.527 341 C HA 0.147 4.607 4.460 -0.001 0.000 0.280 341 C C 1.955 176.824 174.990 -0.202 0.000 1.353 341 C CA 0.042 58.883 59.018 -0.294 0.000 1.749 341 C CB -0.234 27.239 27.740 -0.445 0.000 2.088 341 C HN 0.363 nan 8.230 nan 0.000 0.508 342 L N 1.028 122.090 121.223 -0.268 0.000 2.611 342 L HA 0.228 4.567 4.340 -0.001 0.000 0.229 342 L C 0.270 177.183 176.870 0.071 0.000 1.137 342 L CA 0.203 54.859 54.840 -0.306 0.000 0.901 342 L CB -0.263 41.517 42.059 -0.465 0.000 1.098 342 L HN 0.308 nan 8.230 nan 0.000 0.456 343 I N 0.873 121.495 120.570 0.086 0.000 2.581 343 I HA -0.078 4.092 4.170 -0.001 0.000 0.285 343 I C 1.247 177.496 176.117 0.220 0.000 1.129 343 I CA 0.269 61.640 61.300 0.120 0.000 1.397 343 I CB 0.706 38.737 38.000 0.052 0.000 1.399 343 I HN 0.274 nan 8.210 nan 0.000 0.537 344 K N 3.792 124.316 120.400 0.207 0.000 2.074 344 K HA -0.199 4.121 4.320 -0.001 0.000 0.209 344 K C 0.925 177.553 176.600 0.046 0.000 1.048 344 K CA 1.238 57.592 56.287 0.112 0.000 0.926 344 K CB -0.187 32.344 32.500 0.051 0.000 0.713 344 K HN 0.502 nan 8.250 nan 0.000 0.444 345 N N 1.254 119.987 118.700 0.055 0.000 2.401 345 N HA 0.028 4.768 4.740 -0.001 0.000 0.255 345 N C -1.991 173.555 175.510 0.061 0.000 1.110 345 N CA -2.129 50.951 53.050 0.049 0.000 0.949 345 N CB 1.154 39.663 38.487 0.037 0.000 1.110 345 N HN -0.166 nan 8.380 nan 0.000 0.490 346 P HA -0.200 nan 4.420 nan 0.000 0.216 346 P C 0.796 178.122 177.300 0.043 0.000 1.150 346 P CA 1.325 64.471 63.100 0.077 0.000 0.843 346 P CB 0.083 31.849 31.700 0.109 0.000 0.787 347 A N 0.264 123.095 122.820 0.019 0.000 1.972 347 A HA -0.203 4.116 4.320 -0.001 0.000 0.219 347 A C 2.111 179.699 177.584 0.005 0.000 1.169 347 A CA 1.692 53.725 52.037 -0.005 0.000 0.635 347 A CB -1.019 17.966 19.000 -0.026 0.000 0.810 347 A HN 0.262 nan 8.150 nan 0.000 0.446 348 E N -0.750 119.459 120.200 0.016 0.000 2.190 348 E HA 0.008 4.358 4.350 -0.001 0.000 0.191 348 E C 1.202 177.814 176.600 0.018 0.000 0.978 348 E CA -0.234 56.175 56.400 0.015 0.000 0.839 348 E CB -0.066 29.644 29.700 0.016 0.000 0.787 348 E HN 0.563 nan 8.360 nan 0.000 0.473 349 R N 1.851 122.369 120.500 0.031 0.000 2.623 349 R HA 0.171 4.511 4.340 -0.001 0.000 0.271 349 R C -0.036 176.270 176.300 0.010 0.000 1.043 349 R CA 0.017 56.133 56.100 0.026 0.000 1.083 349 R CB 0.462 30.803 30.300 0.068 0.000 0.974 349 R HN -0.022 nan 8.270 nan 0.000 0.436 350 A N 3.172 125.983 122.820 -0.015 0.000 2.455 350 A HA 0.039 4.358 4.320 -0.001 0.000 0.244 350 A C -0.334 177.247 177.584 -0.006 0.000 1.099 350 A CA 0.430 52.460 52.037 -0.012 0.000 0.786 350 A CB 0.061 19.040 19.000 -0.034 0.000 1.051 350 A HN 0.938 nan 8.150 nan 0.000 0.508 351 D N -1.700 118.704 120.400 0.006 0.000 2.585 351 D HA 0.443 5.083 4.640 -0.001 0.000 0.254 351 D C 0.795 177.104 176.300 0.015 0.000 1.067 351 D CA -0.717 53.289 54.000 0.009 0.000 1.090 351 D CB 0.172 40.978 40.800 0.011 0.000 1.408 351 D HN 0.209 nan 8.370 nan 0.000 0.554 352 L N -0.666 120.566 121.223 0.016 0.000 2.012 352 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 352 L C 2.464 179.353 176.870 0.032 0.000 1.073 352 L CA 1.643 56.496 54.840 0.022 0.000 0.748 352 L CB -0.507 41.559 42.059 0.012 0.000 0.891 352 L HN 0.541 nan 8.230 nan 0.000 0.431 353 K N -0.065 120.349 120.400 0.024 0.000 2.097 353 K HA -0.220 4.100 4.320 -0.001 0.000 0.206 353 K C 2.141 178.767 176.600 0.043 0.000 1.049 353 K CA 1.379 57.681 56.287 0.026 0.000 0.933 353 K CB 0.047 32.556 32.500 0.014 0.000 0.717 353 K HN 0.309 nan 8.250 nan 0.000 0.442 354 Q N 0.223 120.054 119.800 0.051 0.000 2.049 354 Q HA -0.050 4.290 4.340 -0.001 0.000 0.198 354 Q C 2.127 178.208 176.000 0.136 0.000 0.971 354 Q CA 1.394 57.241 55.803 0.074 0.000 0.833 354 Q CB 0.013 28.787 28.738 0.061 0.000 0.896 354 Q HN 0.305 nan 8.270 nan 0.000 0.434 355 L N -0.289 121.017 121.223 0.139 0.000 2.131 355 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 355 L C 2.365 179.389 176.870 0.257 0.000 1.092 355 L CA 0.616 55.603 54.840 0.244 0.000 0.759 355 L CB -0.260 41.896 42.059 0.163 0.000 0.903 355 L HN 0.336 nan 8.230 nan 0.000 0.435 356 M N -0.128 119.554 119.600 0.136 0.000 2.358 356 M HA -0.102 4.378 4.480 -0.001 0.000 0.264 356 M C 1.475 177.821 176.300 0.076 0.000 1.064 356 M CA 1.295 56.642 55.300 0.080 0.000 1.093 356 M CB 0.036 32.656 32.600 0.033 0.000 1.401 356 M HN 0.190 nan 8.290 nan 0.000 0.440 357 V N -3.477 116.500 119.914 0.104 0.000 3.276 357 V HA 0.228 4.348 4.120 -0.001 0.000 0.319 357 V C 0.702 176.862 176.094 0.110 0.000 1.427 357 V CA -0.655 61.691 62.300 0.076 0.000 1.102 357 V CB -1.347 30.500 31.823 0.040 0.000 1.020 357 V HN 0.256 nan 8.190 nan 0.000 0.456 358 H N 1.301 120.442 119.070 0.119 0.000 2.871 358 H HA 0.369 4.924 4.556 -0.001 0.000 0.355 358 H C 1.561 176.963 175.328 0.122 0.000 1.092 358 H CA 0.833 56.986 56.048 0.175 0.000 1.420 358 H CB 2.066 32.053 29.762 0.376 0.000 1.400 358 H HN 0.322 nan 8.280 nan 0.000 0.604 359 A N 5.429 128.199 122.820 -0.084 0.000 1.927 359 A HA -0.279 4.041 4.320 -0.001 0.000 0.220 359 A C 2.213 179.929 177.584 0.220 0.000 1.185 359 A CA 1.782 53.849 52.037 0.050 0.000 0.639 359 A CB -0.951 18.036 19.000 -0.022 0.000 0.820 359 A HN 0.776 nan 8.150 nan 0.000 0.451 360 F N 0.668 120.832 119.950 0.357 0.000 2.171 360 F HA -0.152 4.374 4.527 -0.001 0.000 0.300 360 F C 1.920 177.632 175.800 -0.147 0.000 1.090 360 F CA 1.406 59.440 58.000 0.056 0.000 1.293 360 F CB -0.063 38.891 39.000 -0.077 0.000 1.013 360 F HN 0.163 nan 8.300 nan 0.000 0.486 361 I N 0.460 120.905 120.570 -0.209 0.000 2.286 361 I HA -0.216 3.954 4.170 -0.001 0.000 0.245 361 I C 2.200 178.180 176.117 -0.229 0.000 1.104 361 I CA 1.212 62.312 61.300 -0.333 0.000 1.397 361 I CB -1.230 36.701 38.000 -0.114 0.000 1.072 361 I HN 0.186 nan 8.210 nan 0.000 0.417 362 K N 0.427 120.767 120.400 -0.100 0.000 2.097 362 K HA -0.169 4.151 4.320 -0.001 0.000 0.205 362 K C 2.234 178.767 176.600 -0.111 0.000 1.050 362 K CA 0.964 57.201 56.287 -0.082 0.000 0.938 362 K CB -0.140 32.339 32.500 -0.034 0.000 0.718 362 K HN 0.241 nan 8.250 nan 0.000 0.442 363 R N 0.897 121.322 120.500 -0.126 0.000 2.073 363 R HA -0.053 4.286 4.340 -0.001 0.000 0.229 363 R C 2.119 178.294 176.300 -0.208 0.000 1.120 363 R CA 1.442 57.466 56.100 -0.126 0.000 0.967 363 R CB 0.008 30.262 30.300 -0.077 0.000 0.862 363 R HN 0.004 nan 8.270 nan 0.000 0.436 364 S N 1.025 116.504 115.700 -0.368 0.000 2.382 364 S HA -0.125 4.344 4.470 -0.001 0.000 0.228 364 S C 1.328 175.756 174.600 -0.287 0.000 1.027 364 S CA 1.221 59.160 58.200 -0.436 0.000 0.991 364 S CB -0.270 62.461 63.200 -0.783 0.000 0.823 364 S HN 0.397 nan 8.310 nan 0.000 0.469 365 D N 1.616 121.875 120.400 -0.235 0.000 2.084 365 D HA -0.023 4.617 4.640 -0.001 0.000 0.194 365 D C 2.111 178.346 176.300 -0.109 0.000 0.990 365 D CA 1.283 55.190 54.000 -0.154 0.000 0.826 365 D CB -0.237 40.489 40.800 -0.123 0.000 0.971 365 D HN 0.366 nan 8.370 nan 0.000 0.453 366 A N 0.653 123.415 122.820 -0.098 0.000 2.125 366 A HA -0.111 4.209 4.320 -0.001 0.000 0.219 366 A C 1.058 178.602 177.584 -0.066 0.000 1.156 366 A CA 0.635 52.631 52.037 -0.068 0.000 0.671 366 A CB -0.236 18.730 19.000 -0.058 0.000 0.794 366 A HN 0.214 nan 8.150 nan 0.000 0.459 367 E N 0.805 120.950 120.200 -0.091 0.000 2.373 367 E HA 0.188 4.538 4.350 -0.001 0.000 0.267 367 E C -0.633 175.928 176.600 -0.066 0.000 1.032 367 E CA -0.052 56.299 56.400 -0.082 0.000 0.889 367 E CB 0.378 30.008 29.700 -0.117 0.000 0.984 367 E HN 0.521 nan 8.360 nan 0.000 0.425 368 E N 2.590 122.765 120.200 -0.041 0.000 2.267 368 E HA 0.231 4.581 4.350 -0.001 0.000 0.241 368 E C -0.838 175.755 176.600 -0.011 0.000 0.950 368 E CA -0.379 56.008 56.400 -0.022 0.000 0.776 368 E CB 0.993 30.686 29.700 -0.010 0.000 1.207 368 E HN 0.086 nan 8.360 nan 0.000 0.436 369 V N 1.985 121.890 119.914 -0.014 0.000 2.567 369 V HA 0.046 4.165 4.120 -0.001 0.000 0.289 369 V C 0.229 176.357 176.094 0.057 0.000 1.049 369 V CA -0.509 61.794 62.300 0.005 0.000 0.969 369 V CB 1.492 33.297 31.823 -0.031 0.000 0.995 369 V HN 0.564 nan 8.190 nan 0.000 0.471 370 D N 2.799 123.247 120.400 0.080 0.000 2.522 370 D HA 0.113 4.753 4.640 -0.001 0.000 0.218 370 D C 0.631 177.029 176.300 0.163 0.000 1.149 370 D CA -0.350 53.712 54.000 0.103 0.000 0.981 370 D CB 0.142 40.988 40.800 0.077 0.000 1.041 370 D HN 0.392 nan 8.370 nan 0.000 0.518 371 F N 3.529 123.510 119.950 0.052 0.000 2.134 371 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 371 F C 1.987 177.890 175.800 0.172 0.000 1.097 371 F CA 1.616 59.670 58.000 0.089 0.000 1.264 371 F CB -0.282 38.734 39.000 0.027 0.000 1.001 371 F HN 0.365 nan 8.300 nan 0.000 0.479 372 A N 0.394 123.179 122.820 -0.059 0.000 1.883 372 A HA -0.068 4.251 4.320 -0.001 0.000 0.217 372 A C 2.552 180.075 177.584 -0.102 0.000 1.186 372 A CA 1.860 53.821 52.037 -0.127 0.000 0.624 372 A CB -1.811 17.181 19.000 -0.013 0.000 0.822 372 A HN 0.516 nan 8.150 nan 0.000 0.444 373 G N -1.484 107.305 108.800 -0.018 0.000 2.480 373 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.216 373 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.216 373 G C 1.411 176.301 174.900 -0.016 0.000 1.200 373 G CA 1.189 46.285 45.100 -0.007 0.000 0.782 373 G HN 0.719 nan 8.290 nan 0.000 0.554 374 W N 0.851 122.075 121.300 -0.127 0.000 2.304 374 W HA -0.150 4.509 4.660 -0.000 0.000 0.315 374 W C 2.279 178.690 176.519 -0.181 0.000 1.233 374 W CA 1.765 59.040 57.345 -0.117 0.000 1.261 374 W CB -0.454 28.965 29.460 -0.068 0.000 1.150 374 W HN 0.178 nan 8.180 nan 0.000 0.494 375 L N 0.762 121.901 121.223 -0.139 0.000 1.989 375 L HA -0.239 4.101 4.340 -0.001 0.000 0.211 375 L C 2.487 179.148 176.870 -0.347 0.000 1.071 375 L CA 2.543 57.174 54.840 -0.349 0.000 0.749 375 L CB -1.458 40.333 42.059 -0.447 0.000 0.890 375 L HN 0.170 nan 8.230 nan 0.000 0.431 376 C N -1.238 117.920 119.300 -0.238 0.000 2.429 376 C HA -0.131 4.328 4.460 -0.001 0.000 0.277 376 C C 2.873 177.737 174.990 -0.210 0.000 1.262 376 C CA 1.089 59.999 59.018 -0.180 0.000 1.733 376 C CB -1.312 26.359 27.740 -0.116 0.000 2.010 376 C HN 0.625 nan 8.230 nan 0.000 0.483 377 S N 0.816 116.370 115.700 -0.243 0.000 2.400 377 S HA -0.165 4.305 4.470 -0.001 0.000 0.232 377 S C 1.831 176.238 174.600 -0.322 0.000 1.025 377 S CA 2.099 60.151 58.200 -0.248 0.000 0.993 377 S CB -0.459 62.605 63.200 -0.227 0.000 0.808 377 S HN 0.816 nan 8.310 nan 0.000 0.478 378 T N 1.849 116.102 114.554 -0.501 0.000 3.009 378 T HA 0.210 4.560 4.350 -0.001 0.000 0.258 378 T C 1.628 176.139 174.700 -0.315 0.000 1.063 378 T CA 0.680 62.466 62.100 -0.523 0.000 1.139 378 T CB -0.211 68.062 68.868 -0.990 0.000 0.890 378 T HN 0.668 nan 8.240 nan 0.000 0.471 379 I N -1.615 118.798 120.570 -0.262 0.000 3.976 379 I HA 0.582 4.752 4.170 -0.001 0.000 0.337 379 I C 1.453 177.503 176.117 -0.112 0.000 1.359 379 I CA 0.057 61.266 61.300 -0.152 0.000 1.098 379 I CB -0.281 37.650 38.000 -0.116 0.000 1.027 379 I HN 0.327 nan 8.210 nan 0.000 0.394 380 G N 2.283 111.007 108.800 -0.127 0.000 2.184 380 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.264 380 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.264 380 G C 0.382 175.239 174.900 -0.072 0.000 0.975 380 G CA 0.461 45.507 45.100 -0.089 0.000 0.642 380 G HN 0.444 nan 8.290 nan 0.000 0.536 381 L N 0.000 121.175 121.223 -0.080 0.000 2.949 381 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 381 L CA 0.000 54.806 54.840 -0.056 0.000 0.813 381 L CB 0.000 42.018 42.059 -0.069 0.000 0.961 381 L HN 0.000 nan 8.230 nan 0.000 0.502