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 3nxg_1_A DATA FIRST_RESID 24 DATA SEQUENCE VEVLEVKTGV DSITEVECFL TPEMGDPDEH LRGFSKSISI SDTFESDSPN DATA SEQUENCE RDMLPCYSVA RIPLPNLNXX XXXXXILMWE AVTLKTEVIG VTSLMNVHSN DATA SEQUENCE GQATHDNGAG KPVQGTSFHF FSVGGEALEL QGVLFNYRTK YPDGTIFPKN DATA SEQUENCE ATVQSQVMNT EHKAYLDKNK AYPVECWVPD PTRNENTRYF GTLTGGENVP DATA SEQUENCE PVLHITNTAT TVLLDEFGVG PLCKGDNLYL SAVDVCGMFT NRSGSQQWRG DATA SEQUENCE LSRYFKVQLR KRRVKN 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 24 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 24 V C 0.000 176.068 176.094 -0.044 0.000 1.182 24 V CA 0.000 62.279 62.300 -0.036 0.000 1.235 24 V CB 0.000 31.805 31.823 -0.030 0.000 1.184 25 E N 2.965 123.141 120.200 -0.040 0.000 2.194 25 E HA 0.650 4.999 4.350 -0.001 0.000 0.284 25 E C -0.488 176.089 176.600 -0.038 0.000 1.035 25 E CA -0.209 56.165 56.400 -0.043 0.000 0.836 25 E CB 1.603 31.282 29.700 -0.037 0.000 1.070 25 E HN 1.898 10.258 8.360 -0.000 0.000 0.401 26 V N 4.356 124.246 119.914 -0.041 0.000 2.385 26 V HA 0.283 4.402 4.120 -0.001 0.000 0.269 26 V C 0.215 176.297 176.094 -0.021 0.000 1.043 26 V CA -0.493 61.790 62.300 -0.028 0.000 0.906 26 V CB 0.518 32.326 31.823 -0.024 0.000 0.995 26 V HN 0.770 8.960 8.190 -0.000 0.000 0.467 27 L N 3.549 124.760 121.223 -0.020 0.000 2.783 27 L HA 0.553 4.892 4.340 -0.001 0.000 0.205 27 L C 0.835 177.698 176.870 -0.011 0.000 1.985 27 L CA -0.233 54.597 54.840 -0.016 0.000 2.546 27 L CB 0.099 42.145 42.059 -0.022 0.000 2.829 27 L HN 0.770 9.000 8.230 -0.000 0.000 0.614 28 E N 0.432 120.624 120.200 -0.014 0.000 2.373 28 E HA 0.183 4.532 4.350 -0.001 0.000 0.263 28 E C -0.859 175.731 176.600 -0.015 0.000 1.073 28 E CA -0.400 55.995 56.400 -0.010 0.000 0.894 28 E CB 0.957 30.651 29.700 -0.010 0.000 1.008 28 E HN 0.114 8.474 8.360 -0.000 0.000 0.420 29 V N 2.418 122.329 119.914 -0.006 0.000 2.555 29 V HA 0.071 4.191 4.120 -0.001 0.000 0.286 29 V C 0.485 176.570 176.094 -0.016 0.000 1.044 29 V CA -0.413 61.883 62.300 -0.007 0.000 1.026 29 V CB 0.586 32.417 31.823 0.013 0.000 0.981 29 V HN 0.561 8.751 8.190 -0.000 0.000 0.480 30 K N 3.086 123.465 120.400 -0.034 0.000 2.326 30 K HA 0.395 4.715 4.320 -0.001 0.000 0.275 30 K C 0.453 177.046 176.600 -0.011 0.000 1.018 30 K CA 0.023 56.288 56.287 -0.036 0.000 0.962 30 K CB 0.786 33.243 32.500 -0.072 0.000 0.953 30 K HN 0.975 9.225 8.250 -0.000 0.000 0.475 31 T N -1.117 113.434 114.554 -0.005 0.000 2.919 31 T HA 0.854 5.203 4.350 -0.001 0.000 0.282 31 T C 0.340 175.047 174.700 0.011 0.000 1.020 31 T CA -0.342 61.763 62.100 0.009 0.000 0.994 31 T CB 1.564 70.437 68.868 0.009 0.000 1.180 31 T HN 0.772 9.012 8.240 -0.000 0.000 0.566 32 G N -0.707 108.104 108.800 0.019 0.000 2.612 32 G HA2 -0.033 3.926 3.960 -0.001 0.000 0.686 32 G HA3 -0.033 3.926 3.960 -0.001 0.000 0.686 32 G C 0.421 175.341 174.900 0.032 0.000 1.274 32 G CA -0.349 44.763 45.100 0.020 0.000 0.849 32 G HN 1.165 9.455 8.290 -0.000 0.000 0.595 33 V N 0.817 120.749 119.914 0.031 0.000 2.282 33 V HA -0.186 3.933 4.120 -0.001 0.000 0.249 33 V C 2.519 178.648 176.094 0.057 0.000 1.057 33 V CA 3.100 65.423 62.300 0.038 0.000 1.032 33 V CB -0.485 31.356 31.823 0.030 0.000 0.645 33 V HN 0.988 9.178 8.190 -0.000 0.000 0.447 34 D N -0.413 120.022 120.400 0.059 0.000 2.328 34 D HA -0.032 4.608 4.640 -0.001 0.000 0.221 34 D C 1.743 178.116 176.300 0.122 0.000 1.072 34 D CA 0.921 54.974 54.000 0.088 0.000 0.850 34 D CB -0.136 40.704 40.800 0.068 0.000 0.922 34 D HN 0.585 8.955 8.370 -0.000 0.000 0.516 35 S N -0.592 115.165 115.700 0.095 0.000 2.603 35 S HA 0.132 4.601 4.470 -0.001 0.000 0.220 35 S C 0.555 175.291 174.600 0.227 0.000 0.967 35 S CA -0.390 57.860 58.200 0.084 0.000 0.920 35 S CB -0.220 63.001 63.200 0.035 0.000 0.773 35 S HN 0.131 8.441 8.310 -0.000 0.000 0.529 36 I N 0.509 121.244 120.570 0.275 0.000 2.608 36 I HA 0.592 4.761 4.170 -0.001 0.000 0.295 36 I C -0.181 176.053 176.117 0.194 0.000 1.049 36 I CA 0.083 61.545 61.300 0.271 0.000 1.063 36 I CB 2.468 40.547 38.000 0.132 0.000 1.248 36 I HN 0.071 8.281 8.210 -0.000 0.000 0.424 37 T N 4.658 119.217 114.554 0.008 0.000 2.864 37 T HA 0.528 4.877 4.350 -0.001 0.000 0.299 37 T C -1.710 172.862 174.700 -0.213 0.000 1.166 37 T CA -0.539 61.416 62.100 -0.241 0.000 1.007 37 T CB 1.423 69.873 68.868 -0.697 0.000 1.219 37 T HN 0.640 8.880 8.240 -0.000 0.000 0.506 38 E N 1.700 121.783 120.200 -0.195 0.000 2.275 38 E HA 0.620 4.969 4.350 -0.001 0.000 0.270 38 E C -1.690 174.815 176.600 -0.158 0.000 0.882 38 E CA -0.679 55.639 56.400 -0.136 0.000 0.758 38 E CB 1.860 31.518 29.700 -0.070 0.000 1.195 38 E HN 0.381 8.741 8.360 -0.000 0.000 0.419 39 V N 3.905 123.728 119.914 -0.151 0.000 2.417 39 V HA 0.400 4.519 4.120 -0.001 0.000 0.291 39 V C -0.437 175.584 176.094 -0.121 0.000 1.024 39 V CA -0.492 61.717 62.300 -0.151 0.000 0.861 39 V CB 1.591 33.307 31.823 -0.178 0.000 0.985 39 V HN 0.711 8.901 8.190 -0.000 0.000 0.436 40 E N 4.030 124.169 120.200 -0.101 0.000 2.246 40 E HA 0.721 5.070 4.350 -0.001 0.000 0.266 40 E C -1.100 175.466 176.600 -0.056 0.000 0.880 40 E CA -0.389 55.962 56.400 -0.081 0.000 0.762 40 E CB 1.954 31.667 29.700 0.021 0.000 1.180 40 E HN 0.991 9.351 8.360 -0.000 0.000 0.416 41 C N 1.577 120.841 119.300 -0.061 0.000 3.259 41 C HA 0.785 5.244 4.460 -0.001 0.000 0.344 41 C C -1.705 173.362 174.990 0.129 0.000 1.401 41 C CA -1.219 57.777 59.018 -0.036 0.000 1.219 41 C CB 0.000 27.625 27.740 -0.191 0.000 1.521 41 C HN 0.716 8.946 8.230 -0.000 0.000 0.455 42 F N -0.132 119.882 119.950 0.107 0.000 2.546 42 F HA 0.898 5.424 4.527 -0.001 0.000 0.320 42 F C -1.278 174.598 175.800 0.125 0.000 1.076 42 F CA -1.425 56.675 58.000 0.166 0.000 0.928 42 F CB 0.864 39.959 39.000 0.157 0.000 1.189 42 F HN 0.481 8.781 8.300 -0.000 0.000 0.465 43 L N 3.098 124.528 121.223 0.344 0.000 2.287 43 L HA 0.465 4.804 4.340 -0.001 0.000 0.287 43 L C 0.280 177.341 176.870 0.319 0.000 1.022 43 L CA -0.331 54.645 54.840 0.227 0.000 0.814 43 L CB 1.668 43.858 42.059 0.218 0.000 1.217 43 L HN 0.929 9.159 8.230 -0.000 0.000 0.420 44 T N 2.108 116.836 114.554 0.291 0.000 2.918 44 T HA 0.471 4.820 4.350 -0.001 0.000 0.302 44 T C -2.375 172.428 174.700 0.171 0.000 1.045 44 T CA -1.438 60.811 62.100 0.249 0.000 1.114 44 T CB 0.770 69.780 68.868 0.236 0.000 0.965 44 T HN 0.334 8.574 8.240 -0.000 0.000 0.540 45 P HA 0.301 4.721 4.420 -0.000 0.000 0.274 45 P C -0.657 176.698 177.300 0.092 0.000 1.237 45 P CA -0.374 62.787 63.100 0.100 0.000 0.793 45 P CB 0.624 32.361 31.700 0.061 0.000 0.977 46 E N 2.464 122.712 120.200 0.081 0.000 2.683 46 E HA 0.210 4.559 4.350 -0.001 0.000 0.224 46 E C 0.488 177.127 176.600 0.064 0.000 1.046 46 E CA -0.517 55.932 56.400 0.083 0.000 0.811 46 E CB 0.851 30.611 29.700 0.099 0.000 1.296 46 E HN 0.352 8.712 8.360 -0.000 0.000 0.421 47 M N -0.580 119.064 119.600 0.074 0.000 2.541 47 M HA 0.166 4.645 4.480 -0.001 0.000 0.252 47 M C 1.209 177.587 176.300 0.130 0.000 1.125 47 M CA 0.686 56.036 55.300 0.083 0.000 1.091 47 M CB 0.154 32.819 32.600 0.109 0.000 1.420 47 M HN 0.585 8.875 8.290 -0.000 0.000 0.486 48 G N -0.273 108.603 108.800 0.126 0.000 2.797 48 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.195 48 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.195 48 G C -0.339 174.635 174.900 0.124 0.000 1.026 48 G CA -0.232 44.946 45.100 0.129 0.000 0.759 48 G HN 0.338 8.628 8.290 -0.000 0.000 0.475 49 D N 0.765 121.252 120.400 0.146 0.000 2.904 49 D HA -0.130 4.510 4.640 -0.001 0.000 0.231 49 D C -0.724 175.637 176.300 0.102 0.000 1.185 49 D CA 1.137 55.217 54.000 0.133 0.000 0.783 49 D CB -0.522 40.342 40.800 0.106 0.000 0.961 49 D HN 0.478 8.848 8.370 -0.000 0.000 0.409 50 P HA -0.129 4.291 4.420 -0.000 0.000 0.220 50 P C 0.338 177.665 177.300 0.046 0.000 1.148 50 P CA 1.501 64.647 63.100 0.076 0.000 0.803 50 P CB 0.406 32.155 31.700 0.082 0.000 0.782 51 D N -2.019 118.402 120.400 0.035 0.000 2.664 51 D HA 0.023 4.662 4.640 -0.001 0.000 0.292 51 D C 0.757 177.025 176.300 -0.053 0.000 1.214 51 D CA -0.793 53.202 54.000 -0.009 0.000 0.932 51 D CB 0.011 40.810 40.800 -0.001 0.000 1.420 51 D HN -0.028 8.342 8.370 -0.000 0.000 0.471 52 E N -1.058 119.036 120.200 -0.177 0.000 2.515 52 E HA -0.176 4.173 4.350 -0.001 0.000 0.201 52 E C 0.162 176.578 176.600 -0.305 0.000 1.071 52 E CA 0.772 57.018 56.400 -0.257 0.000 0.880 52 E CB -0.360 29.134 29.700 -0.344 0.000 0.828 52 E HN 0.432 8.792 8.360 -0.000 0.000 0.540 53 H N -0.105 118.970 119.070 0.008 0.000 2.755 53 H HA 0.295 4.850 4.556 -0.001 0.000 0.273 53 H C 0.783 176.102 175.328 -0.014 0.000 1.055 53 H CA 0.067 56.109 56.048 -0.008 0.000 1.191 53 H CB 0.784 30.524 29.762 -0.037 0.000 1.536 53 H HN 0.159 8.439 8.280 -0.000 0.000 0.529 54 L N 1.380 122.662 121.223 0.098 0.000 3.218 54 L HA 0.227 4.566 4.340 -0.001 0.000 0.279 54 L C 0.508 177.549 176.870 0.285 0.000 1.287 54 L CA -0.469 54.439 54.840 0.114 0.000 1.024 54 L CB 0.612 42.673 42.059 0.004 0.000 1.409 54 L HN -0.137 8.093 8.230 -0.000 0.000 0.580 55 R N 1.024 121.655 120.500 0.219 0.000 2.502 55 R HA 0.255 4.594 4.340 -0.001 0.000 0.292 55 R C 1.230 177.671 176.300 0.234 0.000 0.998 55 R CA 1.473 57.688 56.100 0.192 0.000 1.056 55 R CB 0.167 30.544 30.300 0.128 0.000 0.939 55 R HN 0.391 8.661 8.270 -0.000 0.000 0.411 56 G N 2.565 111.455 108.800 0.151 0.000 2.194 56 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.236 56 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.236 56 G C -0.211 174.609 174.900 -0.133 0.000 0.987 56 G CA 0.004 45.102 45.100 -0.003 0.000 0.635 56 G HN 0.483 8.773 8.290 -0.000 0.000 0.520 57 F N 1.510 121.512 119.950 0.087 0.000 2.556 57 F HA 0.709 5.235 4.527 -0.002 0.000 0.327 57 F C 0.956 176.844 175.800 0.146 0.000 1.059 57 F CA -0.286 57.786 58.000 0.121 0.000 0.953 57 F CB 1.968 41.025 39.000 0.095 0.000 1.227 57 F HN 0.232 8.532 8.300 -0.000 0.000 0.478 58 S N 0.770 116.709 115.700 0.399 0.000 2.707 58 S HA 0.476 4.945 4.470 -0.001 0.000 0.276 58 S C -0.408 174.348 174.600 0.259 0.000 1.179 58 S CA -0.926 57.470 58.200 0.328 0.000 0.992 58 S CB 1.392 64.867 63.200 0.458 0.000 1.030 58 S HN 0.557 8.867 8.310 -0.000 0.000 0.554 59 K N 0.969 121.483 120.400 0.189 0.000 2.380 59 K HA 0.220 4.539 4.320 -0.001 0.000 0.267 59 K C -0.121 176.538 176.600 0.100 0.000 0.990 59 K CA 0.246 56.607 56.287 0.123 0.000 0.946 59 K CB 0.043 32.600 32.500 0.095 0.000 0.937 59 K HN 0.630 8.880 8.250 -0.000 0.000 0.491 60 S N 3.069 118.802 115.700 0.055 0.000 2.558 60 S HA 0.055 4.524 4.470 -0.001 0.000 0.291 60 S C 0.175 174.766 174.600 -0.015 0.000 1.306 60 S CA -0.432 57.772 58.200 0.007 0.000 1.056 60 S CB 0.065 63.261 63.200 -0.007 0.000 0.836 60 S HN 0.369 8.679 8.310 -0.000 0.000 0.504 61 I N 3.038 123.565 120.570 -0.073 0.000 2.496 61 I HA 0.166 4.335 4.170 -0.001 0.000 0.285 61 I C 0.704 176.787 176.117 -0.057 0.000 1.080 61 I CA 0.298 61.552 61.300 -0.077 0.000 1.404 61 I CB 0.270 38.168 38.000 -0.170 0.000 1.403 61 I HN 0.437 8.647 8.210 -0.000 0.000 0.539 62 S N 6.859 122.539 115.700 -0.033 0.000 2.537 62 S HA 0.692 5.161 4.470 -0.001 0.000 0.301 62 S C -0.126 174.456 174.600 -0.030 0.000 1.092 62 S CA -0.596 57.586 58.200 -0.030 0.000 1.048 62 S CB 2.083 65.271 63.200 -0.021 0.000 1.053 62 S HN 0.350 8.660 8.310 -0.000 0.000 0.501 63 I N 2.311 122.866 120.570 -0.025 0.000 2.378 63 I HA 0.301 4.470 4.170 -0.001 0.000 0.291 63 I C 0.609 176.723 176.117 -0.006 0.000 0.992 63 I CA -0.546 60.745 61.300 -0.015 0.000 1.154 63 I CB 1.728 39.723 38.000 -0.009 0.000 1.315 63 I HN 0.653 8.863 8.210 -0.000 0.000 0.448 64 S N 2.963 118.662 115.700 -0.002 0.000 2.579 64 S HA 0.088 4.557 4.470 -0.001 0.000 0.275 64 S C 0.586 175.203 174.600 0.028 0.000 1.345 64 S CA -0.448 57.753 58.200 0.003 0.000 1.031 64 S CB 1.137 64.331 63.200 -0.009 0.000 0.892 64 S HN 0.578 8.888 8.310 -0.000 0.000 0.529 65 D N 1.054 121.465 120.400 0.019 0.000 2.178 65 D HA 0.079 4.718 4.640 -0.001 0.000 0.202 65 D C 1.075 177.399 176.300 0.041 0.000 0.974 65 D CA 1.695 55.708 54.000 0.022 0.000 0.841 65 D CB -0.103 40.701 40.800 0.006 0.000 0.953 65 D HN 0.874 9.244 8.370 -0.000 0.000 0.478 66 T N -4.001 110.592 114.554 0.064 0.000 2.841 66 T HA 0.268 4.617 4.350 -0.001 0.000 0.296 66 T C 0.631 175.462 174.700 0.219 0.000 1.166 66 T CA -0.757 61.402 62.100 0.099 0.000 1.007 66 T CB 0.588 69.481 68.868 0.043 0.000 1.253 66 T HN -0.296 7.944 8.240 -0.000 0.000 0.511 67 F N 1.272 121.195 119.950 -0.044 0.000 2.134 67 F HA 0.065 4.591 4.527 -0.002 0.000 0.299 67 F C 2.337 178.067 175.800 -0.117 0.000 1.097 67 F CA 1.330 59.289 58.000 -0.069 0.000 1.264 67 F CB -1.088 37.868 39.000 -0.073 0.000 1.001 67 F HN 0.689 8.989 8.300 -0.000 0.000 0.479 68 E N -0.322 119.926 120.200 0.080 0.000 2.118 68 E HA -0.175 4.175 4.350 -0.001 0.000 0.195 68 E C 2.079 178.642 176.600 -0.062 0.000 0.992 68 E CA 1.637 58.018 56.400 -0.031 0.000 0.804 68 E CB -0.572 29.115 29.700 -0.022 0.000 0.741 68 E HN 0.333 8.693 8.360 -0.000 0.000 0.458 69 S N 0.110 115.790 115.700 -0.033 0.000 2.605 69 S HA 0.031 4.500 4.470 -0.001 0.000 0.217 69 S C 0.310 174.862 174.600 -0.080 0.000 0.958 69 S CA -0.379 57.790 58.200 -0.052 0.000 0.919 69 S CB -0.019 63.164 63.200 -0.028 0.000 0.780 69 S HN 0.002 8.312 8.310 -0.000 0.000 0.507 70 D N 2.506 122.840 120.400 -0.109 0.000 2.412 70 D HA 0.246 4.885 4.640 -0.001 0.000 0.257 70 D C -0.537 175.627 176.300 -0.226 0.000 1.217 70 D CA 0.599 54.501 54.000 -0.163 0.000 0.897 70 D CB 0.482 41.148 40.800 -0.222 0.000 1.132 70 D HN 0.204 8.574 8.370 -0.000 0.000 0.493 71 S N 4.759 120.344 115.700 -0.192 0.000 2.486 71 S HA 0.282 4.751 4.470 -0.001 0.000 0.144 71 S C -2.722 171.781 174.600 -0.161 0.000 1.542 71 S CA -1.092 56.986 58.200 -0.202 0.000 1.262 71 S CB 0.385 63.502 63.200 -0.139 0.000 1.462 71 S HN 0.334 8.644 8.310 -0.000 0.000 0.381 72 P HA 0.247 4.667 4.420 -0.000 0.000 0.271 72 P C -0.432 176.837 177.300 -0.052 0.000 1.216 72 P CA -0.312 62.731 63.100 -0.095 0.000 0.771 72 P CB 0.401 32.052 31.700 -0.081 0.000 0.864 73 N N 1.915 120.609 118.700 -0.009 0.000 2.444 73 N HA 0.061 4.800 4.740 -0.001 0.000 0.255 73 N C 1.432 176.971 175.510 0.048 0.000 1.255 73 N CA -0.284 52.774 53.050 0.015 0.000 0.933 73 N CB 0.467 38.967 38.487 0.020 0.000 1.143 73 N HN 0.442 8.822 8.380 -0.000 0.000 0.453 74 R N 0.760 121.294 120.500 0.057 0.000 2.091 74 R HA -0.167 4.172 4.340 -0.001 0.000 0.238 74 R C 0.433 176.787 176.300 0.090 0.000 1.136 74 R CA 1.799 57.947 56.100 0.080 0.000 0.959 74 R CB -0.085 30.260 30.300 0.076 0.000 0.856 74 R HN 0.661 8.931 8.270 -0.000 0.000 0.437 75 D N -0.495 119.955 120.400 0.084 0.000 2.378 75 D HA -0.164 4.475 4.640 -0.001 0.000 0.227 75 D C 1.531 177.908 176.300 0.129 0.000 1.012 75 D CA 0.638 54.697 54.000 0.099 0.000 0.905 75 D CB -0.134 40.716 40.800 0.084 0.000 0.895 75 D HN 0.321 8.691 8.370 -0.000 0.000 0.532 76 M N -0.184 119.493 119.600 0.128 0.000 2.371 76 M HA 0.221 4.700 4.480 -0.001 0.000 0.246 76 M C -0.436 175.999 176.300 0.224 0.000 1.103 76 M CA 0.026 55.430 55.300 0.173 0.000 1.010 76 M CB 0.412 33.085 32.600 0.122 0.000 1.457 76 M HN -0.106 8.184 8.290 -0.000 0.000 0.486 77 L N 2.154 123.473 121.223 0.160 0.000 2.295 77 L HA 0.460 4.799 4.340 -0.001 0.000 0.281 77 L C -2.354 174.546 176.870 0.050 0.000 1.018 77 L CA -2.042 52.867 54.840 0.116 0.000 0.841 77 L CB 0.899 43.035 42.059 0.129 0.000 1.218 77 L HN -0.106 8.124 8.230 -0.000 0.000 0.424 78 P HA 0.044 4.464 4.420 -0.000 0.000 0.267 78 P C -0.715 176.548 177.300 -0.061 0.000 1.200 78 P CA -0.150 62.877 63.100 -0.121 0.000 0.772 78 P CB 0.677 32.151 31.700 -0.376 0.000 0.855 79 C N 2.143 121.447 119.300 0.008 0.000 2.779 79 C HA 0.413 4.872 4.460 -0.001 0.000 0.314 79 C C -0.223 174.832 174.990 0.108 0.000 1.231 79 C CA -0.475 58.607 59.018 0.107 0.000 1.652 79 C CB 0.660 28.495 27.740 0.160 0.000 2.198 79 C HN 0.500 8.730 8.230 -0.000 0.000 0.483 80 Y N 1.402 121.784 120.300 0.136 0.000 2.497 80 Y HA 0.206 4.756 4.550 -0.001 0.000 0.334 80 Y C 1.132 177.119 175.900 0.145 0.000 1.199 80 Y CA 1.015 59.200 58.100 0.143 0.000 1.425 80 Y CB 0.568 39.087 38.460 0.098 0.000 1.291 80 Y HN 0.618 8.898 8.280 -0.000 0.000 0.562 81 S N 2.155 118.036 115.700 0.301 0.000 2.578 81 S HA 0.646 5.115 4.470 -0.001 0.000 0.283 81 S C -0.942 173.786 174.600 0.213 0.000 1.195 81 S CA -0.774 57.559 58.200 0.223 0.000 1.050 81 S CB 1.679 64.997 63.200 0.196 0.000 1.012 81 S HN 0.471 8.781 8.310 -0.000 0.000 0.511 82 V N 1.276 121.265 119.914 0.125 0.000 2.891 82 V HA 0.806 4.925 4.120 -0.001 0.000 0.304 82 V C -1.536 174.548 176.094 -0.016 0.000 1.171 82 V CA -0.476 61.866 62.300 0.071 0.000 0.943 82 V CB 1.739 33.619 31.823 0.095 0.000 1.037 82 V HN 1.064 9.254 8.190 -0.000 0.000 0.427 83 A N 6.190 128.947 122.820 -0.105 0.000 2.343 83 A HA 0.843 5.162 4.320 -0.001 0.000 0.308 83 A C -0.583 176.826 177.584 -0.292 0.000 1.092 83 A CA -0.798 51.127 52.037 -0.186 0.000 0.751 83 A CB 1.411 20.270 19.000 -0.234 0.000 1.203 83 A HN 0.956 9.106 8.150 -0.000 0.000 0.452 84 R N 3.207 123.489 120.500 -0.364 0.000 2.207 84 R HA 0.576 4.915 4.340 -0.001 0.000 0.334 84 R C -1.400 174.651 176.300 -0.415 0.000 1.013 84 R CA -0.288 55.429 56.100 -0.637 0.000 0.858 84 R CB 0.284 30.172 30.300 -0.686 0.000 1.094 84 R HN 0.684 8.954 8.270 -0.000 0.000 0.457 85 I N 7.522 127.855 120.570 -0.394 0.000 2.354 85 I HA 0.316 4.485 4.170 -0.001 0.000 0.286 85 I C -2.110 173.871 176.117 -0.227 0.000 1.007 85 I CA -2.707 58.429 61.300 -0.272 0.000 1.167 85 I CB 1.996 39.844 38.000 -0.254 0.000 1.320 85 I HN 0.424 8.634 8.210 -0.000 0.000 0.458 86 P HA 0.224 4.644 4.420 -0.000 0.000 0.271 86 P C -0.754 176.469 177.300 -0.129 0.000 1.216 86 P CA 0.062 63.088 63.100 -0.124 0.000 0.771 86 P CB 0.613 32.257 31.700 -0.093 0.000 0.864 87 L N 4.956 126.120 121.223 -0.098 0.000 2.332 87 L HA 0.535 4.875 4.340 -0.001 0.000 0.269 87 L C -2.080 174.789 176.870 -0.001 0.000 1.016 87 L CA -2.741 51.996 54.840 -0.171 0.000 0.809 87 L CB 0.898 42.783 42.059 -0.290 0.000 1.280 87 L HN 0.148 8.378 8.230 -0.000 0.000 0.447 88 P HA -0.037 4.383 4.420 -0.000 0.000 0.262 88 P C -0.783 176.725 177.300 0.347 0.000 1.182 88 P CA 0.065 63.293 63.100 0.214 0.000 0.761 88 P CB 0.174 32.061 31.700 0.311 0.000 0.795 89 N N 2.654 121.461 118.700 0.178 0.000 2.412 89 N HA -0.034 4.705 4.740 -0.001 0.000 0.258 89 N C 0.544 176.115 175.510 0.101 0.000 1.236 89 N CA 0.448 53.574 53.050 0.126 0.000 0.882 89 N CB 0.155 38.681 38.487 0.065 0.000 1.066 89 N HN 0.351 8.731 8.380 -0.000 0.000 0.465 90 L N 1.180 122.429 121.223 0.042 0.000 2.642 90 L HA 0.215 4.554 4.340 -0.001 0.000 0.233 90 L C 1.530 178.370 176.870 -0.050 0.000 1.077 90 L CA 0.036 54.842 54.840 -0.057 0.000 0.879 90 L CB -1.074 40.871 42.059 -0.189 0.000 1.151 90 L HN 0.674 8.904 8.230 -0.000 0.000 0.495 100 L N 5.683 126.841 121.223 -0.108 0.000 2.331 100 L HA 0.711 5.050 4.340 -0.001 0.000 0.275 100 L C -0.338 176.426 176.870 -0.177 0.000 1.022 100 L CA -0.558 54.184 54.840 -0.163 0.000 0.812 100 L CB 1.946 43.866 42.059 -0.231 0.000 1.257 100 L HN 0.460 8.690 8.230 -0.000 0.000 0.435 101 M N 0.795 120.285 119.600 -0.183 0.000 2.446 101 M HA 0.330 4.809 4.480 -0.001 0.000 0.294 101 M C -1.524 174.692 176.300 -0.140 0.000 1.158 101 M CA -0.358 54.867 55.300 -0.126 0.000 0.899 101 M CB 2.580 35.166 32.600 -0.025 0.000 1.687 101 M HN 0.389 8.679 8.290 -0.000 0.000 0.455 102 W N 1.842 123.145 121.300 0.006 0.000 2.253 102 W HA 0.227 4.887 4.660 -0.001 0.000 0.322 102 W C 0.387 176.915 176.519 0.016 0.000 1.342 102 W CA 0.138 57.488 57.345 0.008 0.000 1.218 102 W CB 0.348 29.811 29.460 0.004 0.000 1.205 102 W HN 0.481 8.661 8.180 -0.000 0.000 0.551 103 E N 2.680 123.057 120.200 0.295 0.000 2.145 103 E HA 0.521 4.870 4.350 -0.001 0.000 0.270 103 E C -0.727 175.979 176.600 0.176 0.000 0.906 103 E CA -0.775 55.735 56.400 0.183 0.000 0.761 103 E CB 0.999 30.772 29.700 0.122 0.000 1.116 103 E HN 0.491 8.851 8.360 -0.000 0.000 0.408 104 A N 4.050 126.953 122.820 0.138 0.000 2.404 104 A HA 0.253 4.573 4.320 -0.001 0.000 0.273 104 A C 0.520 178.165 177.584 0.101 0.000 1.144 104 A CA -0.321 51.780 52.037 0.108 0.000 0.806 104 A CB 0.706 19.766 19.000 0.100 0.000 1.080 104 A HN 0.564 8.714 8.150 -0.000 0.000 0.509 105 V N 2.208 122.174 119.914 0.088 0.000 2.806 105 V HA 0.119 4.238 4.120 -0.001 0.000 0.239 105 V C 1.227 177.361 176.094 0.067 0.000 1.113 105 V CA 1.751 64.098 62.300 0.079 0.000 1.137 105 V CB -0.033 31.834 31.823 0.073 0.000 0.865 105 V HN 1.010 9.200 8.190 -0.000 0.000 0.482 106 T N -0.883 113.703 114.554 0.053 0.000 2.903 106 T HA 0.732 5.081 4.350 -0.001 0.000 0.299 106 T C -1.437 173.277 174.700 0.024 0.000 1.093 106 T CA -0.543 61.578 62.100 0.035 0.000 1.002 106 T CB 2.462 71.342 68.868 0.019 0.000 1.127 106 T HN 0.091 8.331 8.240 -0.000 0.000 0.488 107 L N 1.075 122.298 121.223 0.000 0.000 2.410 107 L HA 0.717 5.056 4.340 -0.001 0.000 0.270 107 L C -1.067 175.742 176.870 -0.101 0.000 0.983 107 L CA -0.528 54.290 54.840 -0.036 0.000 0.822 107 L CB 1.869 43.924 42.059 -0.008 0.000 1.285 107 L HN 0.783 9.013 8.230 -0.000 0.000 0.409 108 K N 3.061 123.390 120.400 -0.118 0.000 2.244 108 K HA 0.690 5.009 4.320 -0.001 0.000 0.260 108 K C -1.067 175.393 176.600 -0.232 0.000 0.951 108 K CA -0.655 55.559 56.287 -0.121 0.000 0.826 108 K CB 2.030 34.536 32.500 0.011 0.000 1.108 108 K HN 0.681 8.931 8.250 -0.000 0.000 0.433 109 T N 1.889 116.258 114.554 -0.310 0.000 2.923 109 T HA 0.360 4.709 4.350 -0.001 0.000 0.311 109 T C -2.034 172.475 174.700 -0.318 0.000 1.183 109 T CA -0.661 61.147 62.100 -0.488 0.000 1.020 109 T CB 1.201 69.425 68.868 -1.074 0.000 1.165 109 T HN 0.821 9.061 8.240 -0.000 0.000 0.482 110 E N 1.510 121.586 120.200 -0.206 0.000 2.416 110 E HA 0.540 4.889 4.350 -0.001 0.000 0.280 110 E C -1.646 174.886 176.600 -0.113 0.000 1.055 110 E CA -1.056 55.243 56.400 -0.169 0.000 0.825 110 E CB 1.010 30.644 29.700 -0.110 0.000 1.312 110 E HN 0.376 8.736 8.360 -0.000 0.000 0.452 111 V N 2.165 122.017 119.914 -0.103 0.000 2.555 111 V HA 0.199 4.319 4.120 -0.001 0.000 0.286 111 V C 0.257 176.324 176.094 -0.045 0.000 1.044 111 V CA -0.054 62.216 62.300 -0.050 0.000 1.026 111 V CB 0.290 32.082 31.823 -0.051 0.000 0.981 111 V HN 0.480 8.670 8.190 -0.000 0.000 0.480 112 I N 4.153 124.711 120.570 -0.021 0.000 2.315 112 I HA 0.595 4.764 4.170 -0.001 0.000 0.291 112 I C 1.031 177.116 176.117 -0.054 0.000 1.006 112 I CA 0.114 61.385 61.300 -0.048 0.000 1.265 112 I CB 1.116 39.086 38.000 -0.050 0.000 1.387 112 I HN 0.876 9.086 8.210 -0.000 0.000 0.475 113 G N 4.204 112.965 108.800 -0.065 0.000 2.167 113 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.194 113 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.194 113 G C 0.577 175.447 174.900 -0.050 0.000 1.027 113 G CA 0.041 45.105 45.100 -0.059 0.000 0.717 113 G HN 0.709 8.999 8.290 -0.000 0.000 0.501 114 V N -1.784 118.099 119.914 -0.051 0.000 2.469 114 V HA -0.104 4.015 4.120 -0.001 0.000 0.251 114 V C 2.761 178.830 176.094 -0.041 0.000 1.064 114 V CA 3.064 65.335 62.300 -0.048 0.000 1.066 114 V CB -1.202 30.583 31.823 -0.063 0.000 0.667 114 V HN 1.156 9.346 8.190 -0.000 0.000 0.461 115 T N -0.400 114.131 114.554 -0.039 0.000 3.035 115 T HA -0.109 4.240 4.350 -0.001 0.000 0.268 115 T C 1.959 176.643 174.700 -0.026 0.000 1.109 115 T CA 1.370 63.453 62.100 -0.029 0.000 1.119 115 T CB -0.660 68.193 68.868 -0.025 0.000 0.900 115 T HN 0.868 9.108 8.240 -0.000 0.000 0.503 116 S N 2.296 117.975 115.700 -0.035 0.000 2.419 116 S HA -0.010 4.459 4.470 -0.001 0.000 0.235 116 S C 1.884 176.456 174.600 -0.047 0.000 1.019 116 S CA 0.728 58.904 58.200 -0.040 0.000 0.982 116 S CB -1.066 62.104 63.200 -0.050 0.000 0.789 116 S HN 0.607 8.917 8.310 -0.000 0.000 0.490 117 L N -0.080 121.121 121.223 -0.036 0.000 2.633 117 L HA 0.179 4.518 4.340 -0.001 0.000 0.235 117 L C 2.197 179.059 176.870 -0.013 0.000 1.163 117 L CA 0.584 55.411 54.840 -0.021 0.000 0.859 117 L CB -0.679 41.377 42.059 -0.005 0.000 0.973 117 L HN 0.375 8.605 8.230 -0.000 0.000 0.451 118 M N -0.670 118.920 119.600 -0.018 0.000 2.561 118 M HA 0.017 4.496 4.480 -0.001 0.000 0.238 118 M C 0.587 176.869 176.300 -0.030 0.000 1.131 118 M CA 0.068 55.365 55.300 -0.005 0.000 1.046 118 M CB -0.071 32.535 32.600 0.011 0.000 1.532 118 M HN 0.119 8.409 8.290 -0.000 0.000 0.497 119 N N 1.519 120.159 118.700 -0.100 0.000 2.466 119 N HA 0.021 4.760 4.740 -0.001 0.000 0.263 119 N C -0.171 175.173 175.510 -0.277 0.000 1.178 119 N CA 0.180 53.044 53.050 -0.310 0.000 0.983 119 N CB 0.955 39.241 38.487 -0.334 0.000 1.331 119 N HN -0.004 8.376 8.380 -0.000 0.000 0.500 120 V N 4.502 124.285 119.914 -0.218 0.000 3.271 120 V HA 0.140 4.259 4.120 -0.001 0.000 0.327 120 V C 0.255 176.352 176.094 0.005 0.000 1.389 120 V CA 0.181 62.458 62.300 -0.039 0.000 1.156 120 V CB -0.847 30.994 31.823 0.030 0.000 1.103 120 V HN 0.785 8.975 8.190 -0.000 0.000 0.453 121 H N -2.283 116.820 119.070 0.055 0.000 2.785 121 H HA 0.474 5.029 4.556 -0.002 0.000 0.268 121 H C 0.678 176.035 175.328 0.048 0.000 1.153 121 H CA 0.313 56.385 56.048 0.041 0.000 1.111 121 H CB 0.187 29.961 29.762 0.021 0.000 1.633 121 H HN 0.249 8.529 8.280 -0.000 0.000 0.576 122 S N 1.521 117.216 115.700 -0.007 0.000 2.426 122 S HA 0.174 4.643 4.470 -0.001 0.000 0.236 122 S C 0.209 174.891 174.600 0.138 0.000 1.368 122 S CA -0.533 57.688 58.200 0.035 0.000 1.154 122 S CB -0.737 62.408 63.200 -0.091 0.000 1.037 122 S HN 0.720 9.030 8.310 -0.000 0.000 0.481 123 N N 2.258 121.039 118.700 0.134 0.000 2.708 123 N HA -0.149 4.590 4.740 -0.001 0.000 0.249 123 N C 0.301 175.937 175.510 0.210 0.000 1.097 123 N CA 0.548 53.687 53.050 0.148 0.000 0.710 123 N CB -0.991 37.569 38.487 0.122 0.000 1.032 123 N HN 0.696 9.076 8.380 -0.000 0.000 0.551 124 G N 0.291 109.204 108.800 0.187 0.000 2.437 124 G HA2 0.338 4.297 3.960 -0.001 0.000 0.319 124 G HA3 0.338 4.297 3.960 -0.001 0.000 0.319 124 G C -0.435 174.423 174.900 -0.071 0.000 1.158 124 G CA -0.411 44.702 45.100 0.022 0.000 0.899 124 G HN 0.401 8.691 8.290 -0.000 0.000 0.502 125 Q N 0.284 119.985 119.800 -0.166 0.000 2.297 125 Q HA 0.471 4.810 4.340 -0.001 0.000 0.267 125 Q C 0.536 176.482 176.000 -0.089 0.000 1.006 125 Q CA -0.567 55.164 55.803 -0.119 0.000 0.896 125 Q CB 0.705 29.357 28.738 -0.144 0.000 1.186 125 Q HN 0.672 8.942 8.270 -0.000 0.000 0.392 126 A N 3.132 125.910 122.820 -0.070 0.000 2.498 126 A HA 0.052 4.371 4.320 -0.001 0.000 0.239 126 A C 1.263 178.776 177.584 -0.117 0.000 1.068 126 A CA 0.314 52.297 52.037 -0.090 0.000 0.766 126 A CB 0.243 19.198 19.000 -0.074 0.000 1.003 126 A HN 1.010 9.160 8.150 -0.000 0.000 0.497 127 T N 0.021 114.459 114.554 -0.195 0.000 2.759 127 T HA 0.009 4.359 4.350 -0.001 0.000 0.269 127 T C 0.657 175.275 174.700 -0.137 0.000 1.042 127 T CA 1.888 63.866 62.100 -0.203 0.000 1.140 127 T CB -0.683 68.008 68.868 -0.296 0.000 0.864 127 T HN 1.227 9.467 8.240 -0.000 0.000 0.455 128 H N -2.186 116.882 119.070 -0.003 0.000 2.883 128 H HA 0.602 5.158 4.556 -0.000 0.000 0.277 128 H C -1.876 173.451 175.328 -0.002 0.000 1.451 128 H CA -1.408 54.637 56.048 -0.004 0.000 1.157 128 H CB -0.334 29.427 29.762 -0.002 0.000 1.851 128 H HN -0.156 8.124 8.280 -0.000 0.000 0.566 129 D N 1.122 121.659 120.400 0.227 0.000 2.472 129 D HA 0.099 4.738 4.640 -0.001 0.000 0.248 129 D C 0.209 176.617 176.300 0.181 0.000 1.174 129 D CA 1.025 55.108 54.000 0.138 0.000 0.883 129 D CB -0.068 40.782 40.800 0.084 0.000 1.149 129 D HN 0.641 9.011 8.370 -0.000 0.000 0.488 130 N N 0.376 119.130 118.700 0.089 0.000 2.965 130 N HA -0.125 4.614 4.740 -0.001 0.000 0.232 130 N C 0.679 176.216 175.510 0.046 0.000 0.913 130 N CA 1.285 54.377 53.050 0.071 0.000 0.981 130 N CB -1.309 37.227 38.487 0.082 0.000 1.077 130 N HN 0.533 8.913 8.380 -0.000 0.000 0.589 131 G N -0.378 108.399 108.800 -0.038 0.000 2.616 131 G HA2 0.642 4.601 3.960 -0.001 0.000 0.268 131 G HA3 0.642 4.601 3.960 -0.001 0.000 0.268 131 G C 0.403 175.219 174.900 -0.139 0.000 1.213 131 G CA 0.295 45.254 45.100 -0.235 0.000 0.926 131 G HN 0.410 8.700 8.290 -0.000 0.000 0.523 132 A N -0.943 121.801 122.820 -0.128 0.000 2.327 132 A HA 0.654 4.974 4.320 -0.001 0.000 0.255 132 A C 1.068 178.615 177.584 -0.062 0.000 1.099 132 A CA 0.319 52.326 52.037 -0.051 0.000 0.801 132 A CB -0.134 18.855 19.000 -0.017 0.000 1.062 132 A HN 1.419 9.569 8.150 -0.000 0.000 0.496 133 G N -0.072 108.724 108.800 -0.007 0.000 2.491 133 G HA2 0.414 4.373 3.960 -0.001 0.000 0.242 133 G HA3 0.414 4.373 3.960 -0.001 0.000 0.242 133 G C -0.128 174.768 174.900 -0.008 0.000 1.266 133 G CA -0.523 44.576 45.100 -0.001 0.000 0.844 133 G HN 0.748 9.038 8.290 -0.000 0.000 0.571 134 K N 2.282 122.664 120.400 -0.030 0.000 2.382 134 K HA 0.158 4.477 4.320 -0.001 0.000 0.275 134 K C -1.826 174.800 176.600 0.042 0.000 1.009 134 K CA -0.789 55.486 56.287 -0.021 0.000 0.970 134 K CB 0.743 33.207 32.500 -0.061 0.000 0.934 134 K HN 0.368 8.618 8.250 -0.000 0.000 0.479 135 P HA 0.079 4.499 4.420 -0.000 0.000 0.278 135 P C -0.441 176.928 177.300 0.115 0.000 1.266 135 P CA -0.584 62.570 63.100 0.089 0.000 0.807 135 P CB 0.579 32.310 31.700 0.053 0.000 1.094 136 V N 2.106 122.112 119.914 0.153 0.000 2.557 136 V HA 0.015 4.134 4.120 -0.001 0.000 0.301 136 V C 0.886 177.036 176.094 0.093 0.000 1.026 136 V CA 1.055 63.444 62.300 0.149 0.000 1.137 136 V CB -0.845 31.058 31.823 0.132 0.000 0.917 136 V HN 0.749 8.939 8.190 -0.000 0.000 0.484 137 Q N 4.037 123.884 119.800 0.079 0.000 2.782 137 Q HA 0.714 5.053 4.340 -0.001 0.000 0.308 137 Q C -0.109 175.926 176.000 0.059 0.000 0.883 137 Q CA -0.471 55.371 55.803 0.065 0.000 0.755 137 Q CB 1.976 30.739 28.738 0.043 0.000 1.454 137 Q HN 1.270 9.540 8.270 -0.000 0.000 0.452 138 G N 0.457 109.294 108.800 0.062 0.000 2.582 138 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.222 138 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.222 138 G C -0.259 174.715 174.900 0.124 0.000 1.311 138 G CA -0.267 44.870 45.100 0.061 0.000 0.915 138 G HN 1.423 9.713 8.290 -0.000 0.000 0.528 139 T N -0.988 113.660 114.554 0.157 0.000 2.928 139 T HA 0.556 4.905 4.350 -0.001 0.000 0.305 139 T C 0.685 175.551 174.700 0.278 0.000 1.035 139 T CA 1.243 63.473 62.100 0.218 0.000 1.145 139 T CB 0.374 69.376 68.868 0.225 0.000 0.963 139 T HN 2.313 10.553 8.240 -0.000 0.000 0.545 140 S N 3.468 119.283 115.700 0.191 0.000 2.568 140 S HA 0.763 5.233 4.470 -0.001 0.000 0.293 140 S C -1.270 173.402 174.600 0.120 0.000 1.089 140 S CA -1.032 57.234 58.200 0.110 0.000 0.945 140 S CB 1.655 64.929 63.200 0.124 0.000 1.077 140 S HN 0.780 9.090 8.310 -0.000 0.000 0.485 141 F N 2.385 122.183 119.950 -0.252 0.000 2.579 141 F HA 0.480 5.006 4.527 -0.002 0.000 0.325 141 F C -1.017 174.608 175.800 -0.292 0.000 1.162 141 F CA -0.543 57.346 58.000 -0.185 0.000 0.946 141 F CB 1.398 40.281 39.000 -0.195 0.000 1.211 141 F HN 0.770 9.070 8.300 -0.000 0.000 0.447 142 H N 7.071 125.952 119.070 -0.315 0.000 2.539 142 H HA 0.441 4.996 4.556 -0.002 0.000 0.332 142 H C -1.521 173.597 175.328 -0.350 0.000 1.031 142 H CA -0.451 55.465 56.048 -0.220 0.000 1.206 142 H CB 2.090 31.834 29.762 -0.029 0.000 1.446 142 H HN 0.687 8.967 8.280 -0.000 0.000 0.496 143 F N 5.221 124.997 119.950 -0.290 0.000 2.596 143 F HA 0.479 5.005 4.527 -0.002 0.000 0.311 143 F C -2.018 173.872 175.800 0.150 0.000 1.116 143 F CA -0.986 56.845 58.000 -0.282 0.000 0.957 143 F CB 1.401 40.080 39.000 -0.535 0.000 1.250 143 F HN 0.379 8.679 8.300 -0.000 0.000 0.444 144 F N 2.201 121.682 119.950 -0.781 0.000 2.631 144 F HA 0.850 5.376 4.527 -0.002 0.000 0.308 144 F C -1.335 174.161 175.800 -0.507 0.000 1.097 144 F CA -0.892 56.830 58.000 -0.463 0.000 0.952 144 F CB 1.554 40.474 39.000 -0.133 0.000 1.307 144 F HN 0.548 8.848 8.300 -0.000 0.000 0.450 145 S N 0.791 116.528 115.700 0.061 0.000 2.556 145 S HA 0.873 5.343 4.470 -0.001 0.000 0.271 145 S C -1.947 172.835 174.600 0.303 0.000 1.135 145 S CA -0.797 57.503 58.200 0.166 0.000 0.858 145 S CB 1.701 64.975 63.200 0.123 0.000 1.114 145 S HN 0.893 9.203 8.310 -0.000 0.000 0.468 146 V N 1.230 121.316 119.914 0.286 0.000 2.531 146 V HA 0.896 5.015 4.120 -0.001 0.000 0.301 146 V C 0.504 176.699 176.094 0.169 0.000 1.034 146 V CA 0.127 62.556 62.300 0.216 0.000 0.865 146 V CB 1.388 33.356 31.823 0.242 0.000 0.995 146 V HN 1.349 9.539 8.190 -0.000 0.000 0.424 147 G N 2.074 110.962 108.800 0.146 0.000 2.690 147 G HA2 0.559 4.519 3.960 -0.001 0.000 0.291 147 G HA3 0.559 4.519 3.960 -0.001 0.000 0.291 147 G C 0.355 175.340 174.900 0.142 0.000 1.403 147 G CA 0.015 45.189 45.100 0.124 0.000 0.864 147 G HN 0.904 9.194 8.290 -0.000 0.000 0.480 148 G N -1.028 107.833 108.800 0.101 0.000 3.233 148 G HA2 0.489 4.448 3.960 -0.001 0.000 0.227 148 G HA3 0.489 4.448 3.960 -0.001 0.000 0.227 148 G C 0.300 175.252 174.900 0.086 0.000 1.175 148 G CA 0.583 45.754 45.100 0.117 0.000 0.781 148 G HN 0.912 9.202 8.290 -0.000 0.000 0.542 149 E N -2.061 118.104 120.200 -0.058 0.000 2.432 149 E HA 0.552 4.901 4.350 -0.001 0.000 0.279 149 E C -0.719 175.347 176.600 -0.890 0.000 1.099 149 E CA -1.155 54.966 56.400 -0.466 0.000 0.859 149 E CB 0.291 29.826 29.700 -0.275 0.000 1.402 149 E HN 0.096 8.456 8.360 -0.000 0.000 0.451 150 A N 1.020 123.073 122.820 -1.278 0.000 2.531 150 A HA 0.251 4.570 4.320 -0.001 0.000 0.236 150 A C 0.084 177.478 177.584 -0.317 0.000 1.062 150 A CA -0.314 51.205 52.037 -0.863 0.000 0.760 150 A CB -0.040 18.614 19.000 -0.576 0.000 0.995 150 A HN 0.515 8.665 8.150 -0.000 0.000 0.501 151 L N 1.830 122.941 121.223 -0.186 0.000 2.513 151 L HA 0.131 4.470 4.340 -0.001 0.000 0.272 151 L C 0.340 177.100 176.870 -0.184 0.000 1.187 151 L CA 0.879 55.645 54.840 -0.123 0.000 0.895 151 L CB -0.004 42.005 42.059 -0.084 0.000 1.147 151 L HN 0.734 8.964 8.230 -0.000 0.000 0.483 152 E N 5.635 125.744 120.200 -0.151 0.000 2.227 152 E HA 0.450 4.800 4.350 -0.001 0.000 0.282 152 E C -0.981 175.439 176.600 -0.299 0.000 1.015 152 E CA -0.352 55.916 56.400 -0.221 0.000 0.823 152 E CB 1.136 30.754 29.700 -0.138 0.000 1.081 152 E HN 0.541 8.901 8.360 -0.000 0.000 0.396 153 L N 2.474 123.466 121.223 -0.386 0.000 2.334 153 L HA 0.430 4.769 4.340 -0.001 0.000 0.273 153 L C -0.412 176.416 176.870 -0.069 0.000 1.013 153 L CA -1.029 53.625 54.840 -0.311 0.000 0.816 153 L CB 1.665 43.380 42.059 -0.573 0.000 1.278 153 L HN 0.416 8.646 8.230 -0.000 0.000 0.431 154 Q N 1.016 120.872 119.800 0.094 0.000 2.340 154 Q HA 0.570 4.910 4.340 -0.001 0.000 0.268 154 Q C -0.504 175.662 176.000 0.276 0.000 1.031 154 Q CA -0.391 55.521 55.803 0.182 0.000 0.804 154 Q CB 2.166 30.939 28.738 0.058 0.000 1.286 154 Q HN 0.684 8.954 8.270 -0.000 0.000 0.448 155 G N 1.978 110.907 108.800 0.216 0.000 2.370 155 G HA2 0.553 4.512 3.960 -0.001 0.000 0.272 155 G HA3 0.553 4.512 3.960 -0.001 0.000 0.272 155 G C -1.101 173.721 174.900 -0.131 0.000 1.208 155 G CA -0.302 44.629 45.100 -0.282 0.000 0.856 155 G HN 0.504 8.794 8.290 -0.000 0.000 0.500 156 V N 3.446 123.240 119.914 -0.199 0.000 2.668 156 V HA 0.412 4.531 4.120 -0.001 0.000 0.304 156 V C -0.226 175.793 176.094 -0.125 0.000 1.071 156 V CA -0.613 61.630 62.300 -0.095 0.000 0.894 156 V CB 1.734 33.536 31.823 -0.034 0.000 1.008 156 V HN 0.651 8.841 8.190 -0.000 0.000 0.425 157 L N 3.641 124.823 121.223 -0.067 0.000 2.329 157 L HA 0.479 4.818 4.340 -0.001 0.000 0.279 157 L C 0.779 177.678 176.870 0.048 0.000 1.014 157 L CA -0.489 54.340 54.840 -0.019 0.000 0.814 157 L CB 1.795 43.851 42.059 -0.006 0.000 1.257 157 L HN 0.690 8.920 8.230 -0.000 0.000 0.424 158 F N 2.176 122.086 119.950 -0.066 0.000 2.134 158 F HA -0.083 4.443 4.527 -0.002 0.000 0.299 158 F C 1.027 176.752 175.800 -0.125 0.000 1.097 158 F CA 1.134 59.087 58.000 -0.078 0.000 1.264 158 F CB 0.202 39.142 39.000 -0.099 0.000 1.001 158 F HN 0.603 8.903 8.300 -0.000 0.000 0.479 159 N N -0.640 117.966 118.700 -0.157 0.000 2.519 159 N HA 0.045 4.784 4.740 -0.001 0.000 0.286 159 N C 0.134 175.561 175.510 -0.138 0.000 1.079 159 N CA -0.613 52.233 53.050 -0.340 0.000 0.878 159 N CB 0.422 38.452 38.487 -0.762 0.000 1.375 159 N HN 0.236 8.616 8.380 -0.000 0.000 0.514 160 Y N 3.075 123.307 120.300 -0.114 0.000 2.421 160 Y HA 0.172 4.721 4.550 -0.001 0.000 0.292 160 Y C 1.041 176.912 175.900 -0.050 0.000 1.136 160 Y CA 0.958 59.027 58.100 -0.051 0.000 1.255 160 Y CB 0.080 38.532 38.460 -0.013 0.000 0.991 160 Y HN 0.452 8.732 8.280 -0.000 0.000 0.552 161 R N 0.471 120.571 120.500 -0.668 0.000 2.310 161 R HA 0.106 4.446 4.340 -0.001 0.000 0.202 161 R C 0.168 176.252 176.300 -0.360 0.000 0.933 161 R CA 0.360 56.111 56.100 -0.580 0.000 1.054 161 R CB -0.151 29.794 30.300 -0.590 0.000 0.985 161 R HN 0.180 8.450 8.270 -0.000 0.000 0.489 162 T N 2.203 116.540 114.554 -0.363 0.000 2.871 162 T HA -0.004 4.345 4.350 -0.001 0.000 0.296 162 T C 0.157 174.533 174.700 -0.540 0.000 0.998 162 T CA 0.640 62.445 62.100 -0.493 0.000 1.162 162 T CB 0.565 69.031 68.868 -0.670 0.000 0.947 162 T HN 0.040 8.280 8.240 -0.000 0.000 0.536 163 K N 3.394 123.492 120.400 -0.504 0.000 2.268 163 K HA 0.257 4.576 4.320 -0.001 0.000 0.276 163 K C -0.712 175.534 176.600 -0.591 0.000 1.080 163 K CA -0.381 55.648 56.287 -0.430 0.000 0.910 163 K CB 0.551 32.901 32.500 -0.251 0.000 1.163 163 K HN 0.516 8.766 8.250 -0.000 0.000 0.465 164 Y N 3.677 123.607 120.300 -0.617 0.000 2.304 164 Y HA 0.158 4.708 4.550 -0.001 0.000 0.327 164 Y C -1.608 173.967 175.900 -0.542 0.000 1.209 164 Y CA -1.940 55.729 58.100 -0.719 0.000 1.299 164 Y CB 0.291 38.034 38.460 -1.196 0.000 1.249 164 Y HN 0.507 8.787 8.280 -0.000 0.000 0.519 165 P HA 0.094 4.514 4.420 -0.000 0.000 0.279 165 P C -0.998 176.377 177.300 0.125 0.000 1.252 165 P CA -0.564 62.539 63.100 0.004 0.000 0.811 165 P CB 0.953 32.669 31.700 0.027 0.000 1.035 166 D N 0.118 120.588 120.400 0.118 0.000 2.472 166 D HA 0.244 4.884 4.640 -0.001 0.000 0.237 166 D C 1.606 177.978 176.300 0.121 0.000 1.141 166 D CA 1.660 55.744 54.000 0.141 0.000 0.875 166 D CB -0.062 40.791 40.800 0.089 0.000 1.192 166 D HN 0.743 9.113 8.370 -0.000 0.000 0.450 167 G N 1.247 110.115 108.800 0.114 0.000 2.213 167 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.236 167 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.236 167 G C 0.515 175.462 174.900 0.078 0.000 0.991 167 G CA 0.496 45.642 45.100 0.076 0.000 0.629 167 G HN 0.831 9.121 8.290 -0.000 0.000 0.517 168 T N -0.747 113.900 114.554 0.155 0.000 2.925 168 T HA 0.761 5.110 4.350 -0.001 0.000 0.285 168 T C 0.016 174.797 174.700 0.135 0.000 1.021 168 T CA -0.842 61.355 62.100 0.162 0.000 1.042 168 T CB 2.326 71.345 68.868 0.251 0.000 1.037 168 T HN 0.542 8.782 8.240 -0.000 0.000 0.481 169 I N 3.405 123.918 120.570 -0.094 0.000 2.330 169 I HA 0.546 4.715 4.170 -0.001 0.000 0.289 169 I C -0.787 175.404 176.117 0.123 0.000 1.001 169 I CA -0.947 60.176 61.300 -0.295 0.000 1.193 169 I CB 0.651 38.170 38.000 -0.801 0.000 1.345 169 I HN 0.730 8.940 8.210 -0.000 0.000 0.461 170 F N 5.081 125.130 119.950 0.165 0.000 2.643 170 F HA 0.750 5.277 4.527 -0.001 0.000 0.314 170 F C -2.982 172.793 175.800 -0.041 0.000 1.096 170 F CA -3.424 54.575 58.000 -0.002 0.000 0.953 170 F CB 0.132 38.917 39.000 -0.357 0.000 1.345 170 F HN 0.101 8.401 8.300 -0.000 0.000 0.468 171 P HA 0.087 4.507 4.420 -0.000 0.000 0.263 171 P C -0.818 176.446 177.300 -0.060 0.000 1.195 171 P CA 0.032 62.872 63.100 -0.433 0.000 0.762 171 P CB 0.517 31.523 31.700 -1.155 0.000 0.799 172 K N 2.864 123.307 120.400 0.072 0.000 2.118 172 K HA 0.238 4.557 4.320 -0.001 0.000 0.254 172 K C 0.416 177.156 176.600 0.232 0.000 0.961 172 K CA -0.639 55.730 56.287 0.137 0.000 0.876 172 K CB 0.710 33.240 32.500 0.049 0.000 1.077 172 K HN 0.434 8.684 8.250 -0.000 0.000 0.440 173 N N -0.369 118.448 118.700 0.196 0.000 2.735 173 N HA -0.231 4.509 4.740 -0.001 0.000 0.248 173 N C -0.622 175.035 175.510 0.245 0.000 1.083 173 N CA 0.401 53.561 53.050 0.183 0.000 0.703 173 N CB -0.881 37.682 38.487 0.127 0.000 1.005 173 N HN 0.688 9.068 8.380 -0.000 0.000 0.550 174 A N 0.547 123.528 122.820 0.268 0.000 2.498 174 A HA 0.461 4.780 4.320 -0.001 0.000 0.239 174 A C 1.040 178.781 177.584 0.262 0.000 1.068 174 A CA 1.016 53.229 52.037 0.292 0.000 0.766 174 A CB 0.324 19.460 19.000 0.227 0.000 1.003 174 A HN 0.420 8.570 8.150 -0.000 0.000 0.497 175 T N -1.667 112.961 114.554 0.124 0.000 2.864 175 T HA 0.408 4.757 4.350 -0.001 0.000 0.289 175 T C 0.793 175.100 174.700 -0.655 0.000 1.082 175 T CA 0.090 62.070 62.100 -0.200 0.000 1.009 175 T CB 0.900 69.685 68.868 -0.139 0.000 1.234 175 T HN 1.018 9.258 8.240 -0.000 0.000 0.526 176 V N 1.065 120.324 119.914 -1.090 0.000 2.568 176 V HA -0.152 3.968 4.120 -0.001 0.000 0.253 176 V C 2.354 178.248 176.094 -0.333 0.000 1.072 176 V CA 1.923 63.673 62.300 -0.916 0.000 1.084 176 V CB -0.868 30.602 31.823 -0.588 0.000 0.676 176 V HN 0.814 9.004 8.190 -0.000 0.000 0.469 177 Q N -0.278 119.383 119.800 -0.232 0.000 2.224 177 Q HA -0.089 4.250 4.340 -0.001 0.000 0.203 177 Q C 2.365 178.335 176.000 -0.050 0.000 0.970 177 Q CA 1.578 57.313 55.803 -0.114 0.000 0.865 177 Q CB -0.559 28.121 28.738 -0.097 0.000 0.922 177 Q HN 0.696 8.966 8.270 -0.000 0.000 0.445 178 S N 1.430 117.126 115.700 -0.007 0.000 2.465 178 S HA -0.163 4.306 4.470 -0.001 0.000 0.241 178 S C 1.701 176.331 174.600 0.050 0.000 1.000 178 S CA 0.838 59.106 58.200 0.113 0.000 0.964 178 S CB -0.085 63.258 63.200 0.238 0.000 0.763 178 S HN 0.441 8.751 8.310 -0.000 0.000 0.512 179 Q N 0.095 119.902 119.800 0.012 0.000 2.436 179 Q HA -0.019 4.320 4.340 -0.001 0.000 0.209 179 Q C 1.996 177.990 176.000 -0.010 0.000 0.965 179 Q CA 1.188 56.989 55.803 -0.003 0.000 0.910 179 Q CB 0.067 28.798 28.738 -0.012 0.000 0.980 179 Q HN 0.699 8.969 8.270 -0.000 0.000 0.491 180 V N -5.531 114.378 119.914 -0.008 0.000 3.103 180 V HA 0.342 4.462 4.120 -0.001 0.000 0.229 180 V C 0.240 176.336 176.094 0.003 0.000 1.304 180 V CA -0.292 62.006 62.300 -0.004 0.000 1.298 180 V CB 1.065 32.882 31.823 -0.011 0.000 1.093 180 V HN 0.065 8.255 8.190 -0.000 0.000 0.489 181 M N 2.026 121.624 119.600 -0.002 0.000 2.396 181 M HA 0.383 4.862 4.480 -0.001 0.000 0.222 181 M C -1.782 174.502 176.300 -0.027 0.000 0.972 181 M CA -0.016 55.282 55.300 -0.003 0.000 0.887 181 M CB 1.141 33.737 32.600 -0.006 0.000 2.378 181 M HN 0.647 8.937 8.290 -0.000 0.000 0.446 182 N N 0.982 119.661 118.700 -0.035 0.000 2.531 182 N HA 0.357 5.096 4.740 -0.001 0.000 0.268 182 N C 0.872 176.254 175.510 -0.213 0.000 1.023 182 N CA -0.016 52.941 53.050 -0.154 0.000 0.896 182 N CB 1.477 39.822 38.487 -0.236 0.000 1.233 182 N HN 0.641 9.021 8.380 -0.000 0.000 0.512 183 T N -0.351 114.111 114.554 -0.153 0.000 3.113 183 T HA -0.087 4.263 4.350 -0.001 0.000 0.263 183 T C 1.188 175.806 174.700 -0.136 0.000 1.143 183 T CA 0.645 62.680 62.100 -0.109 0.000 1.090 183 T CB -0.027 68.799 68.868 -0.070 0.000 0.922 183 T HN 0.612 8.852 8.240 -0.000 0.000 0.521 184 E N 0.869 120.916 120.200 -0.254 0.000 2.150 184 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 184 E C 0.162 176.696 176.600 -0.110 0.000 0.985 184 E CA 0.504 56.776 56.400 -0.213 0.000 0.814 184 E CB -0.035 29.510 29.700 -0.258 0.000 0.752 184 E HN 0.646 9.006 8.360 -0.000 0.000 0.466 185 H N 1.634 120.724 119.070 0.032 0.000 3.195 185 H HA 0.154 4.709 4.556 -0.001 0.000 0.241 185 H C -0.473 174.967 175.328 0.186 0.000 1.823 185 H CA 0.271 56.378 56.048 0.098 0.000 1.466 185 H CB -0.386 29.367 29.762 -0.015 0.000 1.819 185 H HN -0.105 8.175 8.280 -0.000 0.000 0.575 186 K N 1.453 121.967 120.400 0.190 0.000 2.221 186 K HA 0.786 5.105 4.320 -0.001 0.000 0.258 186 K C -0.054 176.483 176.600 -0.105 0.000 0.944 186 K CA -0.723 55.575 56.287 0.018 0.000 0.823 186 K CB 2.978 35.416 32.500 -0.103 0.000 1.113 186 K HN 0.488 8.738 8.250 -0.000 0.000 0.431 187 A N 2.334 124.940 122.820 -0.357 0.000 2.602 187 A HA 0.709 5.028 4.320 -0.001 0.000 0.290 187 A C -1.850 175.271 177.584 -0.771 0.000 1.114 187 A CA -0.746 50.950 52.037 -0.568 0.000 0.683 187 A CB 0.923 19.450 19.000 -0.788 0.000 1.281 187 A HN 0.506 8.656 8.150 -0.000 0.000 0.416 188 Y N -0.206 119.834 120.300 -0.432 0.000 2.360 188 Y HA 0.514 5.063 4.550 -0.001 0.000 0.337 188 Y C 0.195 175.638 175.900 -0.762 0.000 1.039 188 Y CA -0.798 57.019 58.100 -0.472 0.000 1.109 188 Y CB 1.721 40.002 38.460 -0.299 0.000 1.201 188 Y HN 0.506 8.786 8.280 -0.000 0.000 0.458 189 L N 5.052 125.911 121.223 -0.608 0.000 2.448 189 L HA 0.205 4.544 4.340 -0.001 0.000 0.278 189 L C 0.027 176.724 176.870 -0.289 0.000 1.201 189 L CA 0.076 54.469 54.840 -0.744 0.000 1.036 189 L CB -0.926 40.800 42.059 -0.555 0.000 1.325 189 L HN 0.730 8.960 8.230 -0.000 0.000 0.441 190 D N 1.858 122.158 120.400 -0.168 0.000 2.513 190 D HA 0.171 4.810 4.640 -0.001 0.000 0.222 190 D C 0.050 176.428 176.300 0.129 0.000 1.210 190 D CA -0.171 53.855 54.000 0.044 0.000 0.825 190 D CB 0.158 40.980 40.800 0.037 0.000 1.037 190 D HN 0.353 8.723 8.370 -0.000 0.000 0.506 191 K N 0.075 120.595 120.400 0.200 0.000 2.557 191 K HA 0.267 4.587 4.320 -0.001 0.000 0.257 191 K C -1.253 175.470 176.600 0.205 0.000 0.933 191 K CA -0.643 55.759 56.287 0.192 0.000 0.820 191 K CB 1.588 34.200 32.500 0.186 0.000 1.330 191 K HN -0.196 8.054 8.250 -0.000 0.000 0.432 192 N N 2.348 121.126 118.700 0.130 0.000 2.483 192 N HA 0.125 4.864 4.740 -0.001 0.000 0.269 192 N C -0.641 174.941 175.510 0.119 0.000 1.209 192 N CA 0.238 53.364 53.050 0.127 0.000 0.969 192 N CB 0.966 39.504 38.487 0.085 0.000 1.173 192 N HN 0.613 8.993 8.380 -0.000 0.000 0.475 193 K N -0.648 119.828 120.400 0.128 0.000 3.069 193 K HA -0.255 4.064 4.320 -0.001 0.000 0.267 193 K C 0.007 176.662 176.600 0.092 0.000 1.082 193 K CA 0.663 57.014 56.287 0.107 0.000 0.782 193 K CB -1.405 31.144 32.500 0.082 0.000 1.230 193 K HN 0.644 8.894 8.250 -0.000 0.000 0.488 194 A N -0.676 122.210 122.820 0.109 0.000 1.878 194 A HA 0.187 4.507 4.320 -0.001 0.000 0.201 194 A C -0.154 177.384 177.584 -0.076 0.000 1.684 194 A CA -0.051 51.973 52.037 -0.023 0.000 1.113 194 A CB 0.367 19.283 19.000 -0.140 0.000 1.131 194 A HN 0.222 8.372 8.150 -0.000 0.000 0.472 195 Y N 1.661 122.029 120.300 0.114 0.000 2.454 195 Y HA 0.427 4.976 4.550 -0.002 0.000 0.345 195 Y C -2.589 173.520 175.900 0.349 0.000 0.970 195 Y CA -2.774 55.425 58.100 0.165 0.000 1.204 195 Y CB 0.390 38.758 38.460 -0.155 0.000 1.122 195 Y HN 0.171 8.451 8.280 -0.000 0.000 0.514 196 P HA -0.017 4.403 4.420 -0.000 0.000 0.268 196 P C 0.837 178.317 177.300 0.300 0.000 1.204 196 P CA 0.098 63.351 63.100 0.255 0.000 0.768 196 P CB 1.190 32.943 31.700 0.089 0.000 0.842 197 V N 3.776 123.733 119.914 0.071 0.000 2.332 197 V HA -0.268 3.851 4.120 -0.001 0.000 0.248 197 V C 2.122 178.150 176.094 -0.111 0.000 1.055 197 V CA 2.415 64.639 62.300 -0.127 0.000 1.038 197 V CB -1.374 30.206 31.823 -0.405 0.000 0.651 197 V HN 0.698 8.888 8.190 -0.000 0.000 0.450 198 E N -0.913 119.209 120.200 -0.130 0.000 2.409 198 E HA -0.184 4.165 4.350 -0.001 0.000 0.198 198 E C 1.907 178.422 176.600 -0.142 0.000 1.024 198 E CA 1.572 57.890 56.400 -0.137 0.000 0.861 198 E CB -0.452 29.209 29.700 -0.066 0.000 0.788 198 E HN 0.615 8.976 8.360 -0.000 0.000 0.521 199 C N -0.387 118.783 119.300 -0.217 0.000 2.674 199 C HA 0.251 4.710 4.460 -0.001 0.000 0.276 199 C C 0.044 174.673 174.990 -0.601 0.000 1.300 199 C CA -0.523 58.163 59.018 -0.553 0.000 1.732 199 C CB -0.855 26.283 27.740 -1.004 0.000 2.076 199 C HN 0.458 8.688 8.230 -0.000 0.000 0.548 200 W N 0.055 121.333 121.300 -0.038 0.000 2.883 200 W HA 0.600 5.259 4.660 -0.001 0.000 0.335 200 W C -0.566 175.906 176.519 -0.078 0.000 1.083 200 W CA -0.691 56.613 57.345 -0.068 0.000 1.233 200 W CB 1.182 30.583 29.460 -0.099 0.000 1.412 200 W HN -0.129 8.051 8.180 -0.000 0.000 0.490 201 V N -0.020 119.954 119.914 0.101 0.000 3.102 201 V HA 0.723 4.843 4.120 -0.001 0.000 0.312 201 V C -2.823 173.155 176.094 -0.193 0.000 1.135 201 V CA -3.565 58.703 62.300 -0.053 0.000 1.022 201 V CB 1.663 33.454 31.823 -0.053 0.000 1.056 201 V HN 0.259 8.449 8.190 -0.000 0.000 0.436 202 P HA 0.129 4.549 4.420 -0.000 0.000 0.264 202 P C -0.851 176.273 177.300 -0.293 0.000 1.193 202 P CA 0.428 63.221 63.100 -0.511 0.000 0.763 202 P CB 0.144 31.130 31.700 -1.190 0.000 0.810 203 D N 5.411 125.694 120.400 -0.195 0.000 2.344 203 D HA 0.045 4.684 4.640 -0.001 0.000 0.253 203 D C -1.283 175.022 176.300 0.008 0.000 1.255 203 D CA -2.117 51.840 54.000 -0.073 0.000 0.894 203 D CB 0.529 41.281 40.800 -0.079 0.000 1.067 203 D HN 0.217 8.587 8.370 -0.000 0.000 0.492 204 P HA -0.092 4.328 4.420 -0.000 0.000 0.229 204 P C 1.070 178.422 177.300 0.087 0.000 1.160 204 P CA 0.785 63.972 63.100 0.146 0.000 0.777 204 P CB -0.037 31.747 31.700 0.139 0.000 0.814 205 T N -3.971 110.610 114.554 0.046 0.000 3.085 205 T HA 0.105 4.454 4.350 -0.001 0.000 0.263 205 T C 1.284 175.999 174.700 0.024 0.000 1.127 205 T CA 0.296 62.413 62.100 0.028 0.000 1.103 205 T CB 0.007 68.881 68.868 0.011 0.000 0.921 205 T HN 0.102 8.342 8.240 -0.000 0.000 0.510 206 R N -0.013 120.504 120.500 0.028 0.000 3.322 206 R HA 0.480 4.819 4.340 -0.001 0.000 0.189 206 R C -0.047 176.288 176.300 0.057 0.000 1.510 206 R CA -0.820 55.294 56.100 0.024 0.000 0.827 206 R CB 0.131 30.425 30.300 -0.010 0.000 1.856 206 R HN -0.011 8.259 8.270 -0.000 0.000 0.497 207 N N 1.199 119.930 118.700 0.052 0.000 2.741 207 N HA -0.217 4.522 4.740 -0.001 0.000 0.250 207 N C 0.513 176.072 175.510 0.082 0.000 1.115 207 N CA 1.201 54.304 53.050 0.090 0.000 0.724 207 N CB -0.772 37.827 38.487 0.187 0.000 1.090 207 N HN 0.627 9.007 8.380 -0.000 0.000 0.558 208 E N 0.527 120.758 120.200 0.051 0.000 2.147 208 E HA -0.186 4.163 4.350 -0.001 0.000 0.199 208 E C 1.060 177.683 176.600 0.039 0.000 1.005 208 E CA 1.391 57.814 56.400 0.039 0.000 0.810 208 E CB -0.004 29.711 29.700 0.025 0.000 0.736 208 E HN 0.305 8.665 8.360 -0.000 0.000 0.460 209 N N -0.262 118.460 118.700 0.038 0.000 2.279 209 N HA 0.060 4.799 4.740 -0.001 0.000 0.226 209 N C -1.487 174.055 175.510 0.054 0.000 1.126 209 N CA 0.127 53.200 53.050 0.038 0.000 0.846 209 N CB 0.773 39.273 38.487 0.021 0.000 1.050 209 N HN -0.091 8.289 8.380 -0.000 0.000 0.502 210 T N 0.073 114.668 114.554 0.068 0.000 2.909 210 T HA 0.480 4.829 4.350 -0.001 0.000 0.299 210 T C -1.004 173.740 174.700 0.073 0.000 1.073 210 T CA -0.748 61.410 62.100 0.097 0.000 0.999 210 T CB 1.692 70.636 68.868 0.126 0.000 1.098 210 T HN -0.097 8.143 8.240 -0.000 0.000 0.477 211 R N 2.424 122.965 120.500 0.068 0.000 2.393 211 R HA 0.482 4.821 4.340 -0.001 0.000 0.315 211 R C -1.218 174.987 176.300 -0.158 0.000 0.952 211 R CA -0.709 55.332 56.100 -0.099 0.000 0.842 211 R CB 0.870 31.198 30.300 0.047 0.000 1.163 211 R HN 0.804 9.074 8.270 -0.000 0.000 0.450 212 Y N 0.188 120.174 120.300 -0.524 0.000 2.536 212 Y HA 0.829 5.378 4.550 -0.002 0.000 0.347 212 Y C -1.216 174.126 175.900 -0.929 0.000 1.000 212 Y CA -1.840 55.970 58.100 -0.483 0.000 1.051 212 Y CB 1.518 39.973 38.460 -0.008 0.000 1.259 212 Y HN 0.330 8.610 8.280 -0.000 0.000 0.468 213 F N 1.011 120.796 119.950 -0.276 0.000 2.605 213 F HA 0.754 5.280 4.527 -0.002 0.000 0.320 213 F C 0.056 175.656 175.800 -0.333 0.000 1.159 213 F CA -0.968 56.788 58.000 -0.406 0.000 0.999 213 F CB 2.514 40.993 39.000 -0.868 0.000 1.258 213 F HN 0.963 9.263 8.300 -0.000 0.000 0.464 214 G N 0.597 109.514 108.800 0.196 0.000 2.718 214 G HA2 0.637 4.596 3.960 -0.001 0.000 0.295 214 G HA3 0.637 4.596 3.960 -0.001 0.000 0.295 214 G C -1.804 173.211 174.900 0.192 0.000 1.421 214 G CA -0.875 44.347 45.100 0.203 0.000 0.902 214 G HN 0.467 8.757 8.290 -0.000 0.000 0.501 215 T N 1.111 115.731 114.554 0.110 0.000 2.937 215 T HA 0.423 4.772 4.350 -0.001 0.000 0.297 215 T C -0.788 174.112 174.700 0.332 0.000 0.991 215 T CA -0.362 61.869 62.100 0.218 0.000 0.990 215 T CB 1.582 70.555 68.868 0.175 0.000 0.991 215 T HN 0.546 8.786 8.240 -0.000 0.000 0.440 216 L N 3.863 125.341 121.223 0.426 0.000 2.265 216 L HA 0.591 4.931 4.340 -0.001 0.000 0.288 216 L C -0.266 176.742 176.870 0.230 0.000 1.058 216 L CA 0.234 55.307 54.840 0.387 0.000 0.809 216 L CB 0.881 43.087 42.059 0.245 0.000 1.179 216 L HN 0.605 8.835 8.230 -0.000 0.000 0.429 217 T N 4.844 119.522 114.554 0.207 0.000 2.893 217 T HA 0.562 4.911 4.350 -0.001 0.000 0.324 217 T C 0.383 175.165 174.700 0.137 0.000 1.082 217 T CA -0.372 61.822 62.100 0.158 0.000 0.983 217 T CB 0.971 69.934 68.868 0.157 0.000 1.005 217 T HN 0.800 9.040 8.240 -0.000 0.000 0.475 218 G N 0.992 109.859 108.800 0.112 0.000 2.543 218 G HA2 0.715 4.674 3.960 -0.001 0.000 0.290 218 G HA3 0.715 4.674 3.960 -0.001 0.000 0.290 218 G C 0.254 175.203 174.900 0.081 0.000 1.310 218 G CA -0.202 44.955 45.100 0.094 0.000 1.025 218 G HN 1.125 9.415 8.290 -0.000 0.000 0.502 219 G N -1.217 107.622 108.800 0.065 0.000 2.906 219 G HA2 0.019 3.979 3.960 -0.001 0.000 0.686 219 G HA3 0.019 3.979 3.960 -0.001 0.000 0.686 219 G C 0.456 175.381 174.900 0.042 0.000 1.170 219 G CA 0.386 45.516 45.100 0.050 0.000 0.775 219 G HN 1.011 9.301 8.290 -0.000 0.000 0.630 220 E N 0.345 120.558 120.200 0.021 0.000 2.274 220 E HA -0.065 4.284 4.350 -0.001 0.000 0.194 220 E C 0.994 177.597 176.600 0.005 0.000 0.996 220 E CA 1.010 57.410 56.400 0.000 0.000 0.840 220 E CB 0.092 29.783 29.700 -0.016 0.000 0.772 220 E HN 0.337 8.697 8.360 -0.000 0.000 0.491 221 N N 0.885 119.596 118.700 0.019 0.000 2.200 221 N HA 0.127 4.867 4.740 -0.001 0.000 0.224 221 N C -0.658 174.873 175.510 0.034 0.000 1.179 221 N CA -0.115 52.947 53.050 0.020 0.000 0.877 221 N CB 1.545 40.041 38.487 0.016 0.000 1.072 221 N HN -0.050 8.330 8.380 -0.000 0.000 0.519 222 V N 4.439 124.381 119.914 0.047 0.000 2.540 222 V HA 0.067 4.186 4.120 -0.001 0.000 0.297 222 V C -1.847 174.283 176.094 0.060 0.000 1.024 222 V CA -0.662 61.673 62.300 0.059 0.000 1.105 222 V CB 0.748 32.618 31.823 0.077 0.000 0.938 222 V HN 0.097 8.287 8.190 -0.000 0.000 0.482 223 P HA 0.306 4.726 4.420 -0.000 0.000 0.281 223 P C -2.718 174.612 177.300 0.049 0.000 1.252 223 P CA -1.880 61.246 63.100 0.044 0.000 0.778 223 P CB 0.410 32.128 31.700 0.031 0.000 0.895 224 P HA 0.110 4.530 4.420 -0.000 0.000 0.268 224 P C -0.657 176.631 177.300 -0.020 0.000 1.204 224 P CA 0.225 63.354 63.100 0.048 0.000 0.768 224 P CB 0.365 32.098 31.700 0.056 0.000 0.842 225 V N 5.329 125.203 119.914 -0.067 0.000 2.357 225 V HA 0.303 4.422 4.120 -0.001 0.000 0.281 225 V C -0.187 175.703 176.094 -0.339 0.000 1.015 225 V CA -0.315 61.874 62.300 -0.185 0.000 0.827 225 V CB 0.765 32.507 31.823 -0.136 0.000 1.018 225 V HN 0.371 8.561 8.190 -0.000 0.000 0.432 226 L N 5.135 126.138 121.223 -0.367 0.000 2.319 226 L HA 0.623 4.962 4.340 -0.001 0.000 0.281 226 L C -0.467 176.184 176.870 -0.366 0.000 1.005 226 L CA -0.599 54.034 54.840 -0.345 0.000 0.828 226 L CB 1.474 43.411 42.059 -0.203 0.000 1.227 226 L HN 0.545 8.775 8.230 -0.000 0.000 0.415 227 H N 4.917 123.930 119.070 -0.094 0.000 2.458 227 H HA 0.582 5.138 4.556 -0.001 0.000 0.330 227 H C -0.362 174.910 175.328 -0.093 0.000 1.111 227 H CA -0.454 55.546 56.048 -0.079 0.000 1.245 227 H CB 2.470 32.190 29.762 -0.071 0.000 1.456 227 H HN 0.549 8.829 8.280 -0.000 0.000 0.488 228 I N -0.358 120.235 120.570 0.038 0.000 2.608 228 I HA 0.679 4.848 4.170 -0.001 0.000 0.295 228 I C -0.470 175.630 176.117 -0.029 0.000 1.049 228 I CA -0.636 60.649 61.300 -0.026 0.000 1.063 228 I CB 2.663 40.629 38.000 -0.056 0.000 1.248 228 I HN 0.425 8.635 8.210 -0.000 0.000 0.424 229 T N 2.629 117.150 114.554 -0.055 0.000 2.977 229 T HA 0.243 4.592 4.350 -0.001 0.000 0.345 229 T C -0.589 174.070 174.700 -0.069 0.000 1.562 229 T CA -0.639 61.426 62.100 -0.058 0.000 1.090 229 T CB 1.251 70.089 68.868 -0.051 0.000 1.383 229 T HN 0.912 9.152 8.240 -0.000 0.000 0.484 230 N N 1.431 120.092 118.700 -0.066 0.000 2.276 230 N HA 0.083 4.822 4.740 -0.001 0.000 0.212 230 N C 1.045 176.531 175.510 -0.040 0.000 1.127 230 N CA 0.485 53.500 53.050 -0.059 0.000 0.834 230 N CB 0.126 38.571 38.487 -0.071 0.000 1.014 230 N HN 0.644 9.024 8.380 -0.000 0.000 0.491 231 T N -4.677 109.851 114.554 -0.043 0.000 3.044 231 T HA 0.537 4.886 4.350 -0.001 0.000 0.260 231 T C 0.480 175.155 174.700 -0.042 0.000 1.019 231 T CA -0.318 61.760 62.100 -0.038 0.000 0.921 231 T CB 0.077 68.923 68.868 -0.037 0.000 1.053 231 T HN 0.260 8.500 8.240 -0.000 0.000 0.533 232 A N 1.238 124.027 122.820 -0.053 0.000 2.304 232 A HA 0.706 5.026 4.320 -0.001 0.000 0.323 232 A C -0.122 177.421 177.584 -0.068 0.000 1.195 232 A CA -0.563 51.436 52.037 -0.064 0.000 0.826 232 A CB 0.984 19.934 19.000 -0.083 0.000 1.184 232 A HN 0.322 8.472 8.150 -0.000 0.000 0.496 233 T N 1.688 116.204 114.554 -0.062 0.000 2.863 233 T HA 0.575 4.924 4.350 -0.001 0.000 0.285 233 T C -0.286 174.372 174.700 -0.070 0.000 1.009 233 T CA -0.265 61.799 62.100 -0.061 0.000 0.989 233 T CB 1.600 70.448 68.868 -0.033 0.000 1.004 233 T HN 0.547 8.787 8.240 -0.000 0.000 0.455 234 T N 2.441 116.944 114.554 -0.085 0.000 2.771 234 T HA 0.466 4.815 4.350 -0.001 0.000 0.281 234 T C 0.156 174.849 174.700 -0.011 0.000 0.982 234 T CA -0.495 61.557 62.100 -0.080 0.000 0.978 234 T CB 0.893 69.656 68.868 -0.175 0.000 0.930 234 T HN 0.351 8.591 8.240 -0.000 0.000 0.447 235 V N 5.320 125.246 119.914 0.020 0.000 2.530 235 V HA 0.216 4.335 4.120 -0.001 0.000 0.282 235 V C 1.031 177.186 176.094 0.103 0.000 1.048 235 V CA -0.182 62.149 62.300 0.052 0.000 0.997 235 V CB 0.998 32.846 31.823 0.042 0.000 0.987 235 V HN 0.844 9.034 8.190 -0.000 0.000 0.477 236 L N 4.762 126.052 121.223 0.111 0.000 2.640 236 L HA 0.289 4.628 4.340 -0.001 0.000 0.230 236 L C 0.455 177.395 176.870 0.118 0.000 1.123 236 L CA 0.108 55.038 54.840 0.149 0.000 0.900 236 L CB -0.027 42.122 42.059 0.150 0.000 1.146 236 L HN 0.470 8.700 8.230 -0.000 0.000 0.484 237 L N 1.083 122.362 121.223 0.094 0.000 2.456 237 L HA 0.073 4.412 4.340 -0.001 0.000 0.272 237 L C 0.386 177.302 176.870 0.076 0.000 1.189 237 L CA -0.450 54.440 54.840 0.083 0.000 0.846 237 L CB 0.170 42.270 42.059 0.070 0.000 1.111 237 L HN 0.161 8.391 8.230 -0.000 0.000 0.475 238 D N 1.754 122.206 120.400 0.086 0.000 2.440 238 D HA -0.037 4.602 4.640 -0.001 0.000 0.269 238 D C 0.922 177.238 176.300 0.026 0.000 1.249 238 D CA -0.493 53.551 54.000 0.074 0.000 1.055 238 D CB 0.300 41.180 40.800 0.134 0.000 1.104 238 D HN 0.623 8.993 8.370 -0.000 0.000 0.561 239 E N -0.402 119.755 120.200 -0.071 0.000 2.401 239 E HA -0.164 4.185 4.350 -0.001 0.000 0.199 239 E C 1.023 177.394 176.600 -0.381 0.000 1.023 239 E CA 0.778 57.022 56.400 -0.260 0.000 0.859 239 E CB -0.588 28.872 29.700 -0.400 0.000 0.780 239 E HN 0.495 8.855 8.360 -0.000 0.000 0.523 240 F N 0.551 120.508 119.950 0.011 0.000 2.727 240 F HA 0.384 4.910 4.527 -0.001 0.000 0.302 240 F C 1.612 177.420 175.800 0.014 0.000 1.097 240 F CA 0.319 58.326 58.000 0.011 0.000 1.330 240 F CB 0.698 39.703 39.000 0.009 0.000 1.084 240 F HN 0.164 8.464 8.300 -0.000 0.000 0.578 241 G N 0.790 109.669 108.800 0.132 0.000 2.147 241 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.244 241 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.244 241 G C -0.288 174.674 174.900 0.104 0.000 1.005 241 G CA 0.110 45.267 45.100 0.096 0.000 0.713 241 G HN 0.170 8.460 8.290 -0.000 0.000 0.515 242 V N 0.404 120.395 119.914 0.128 0.000 2.448 242 V HA 0.798 4.917 4.120 -0.001 0.000 0.295 242 V C 1.066 177.218 176.094 0.097 0.000 1.025 242 V CA -0.154 62.209 62.300 0.104 0.000 0.859 242 V CB 1.431 33.312 31.823 0.097 0.000 0.988 242 V HN 0.672 8.862 8.190 -0.000 0.000 0.431 243 G N 4.776 113.629 108.800 0.088 0.000 2.557 243 G HA2 0.565 4.524 3.960 -0.001 0.000 0.292 243 G HA3 0.565 4.524 3.960 -0.001 0.000 0.292 243 G C -2.829 172.124 174.900 0.088 0.000 1.237 243 G CA -1.688 43.467 45.100 0.093 0.000 0.978 243 G HN 0.543 8.833 8.290 -0.000 0.000 0.498 244 P HA 0.120 4.540 4.420 -0.000 0.000 0.264 244 P C -0.550 176.807 177.300 0.095 0.000 1.183 244 P CA 0.417 63.571 63.100 0.090 0.000 0.763 244 P CB 0.461 32.222 31.700 0.102 0.000 0.807 245 L N 3.862 125.134 121.223 0.081 0.000 2.287 245 L HA 0.344 4.683 4.340 -0.001 0.000 0.287 245 L C -0.207 176.719 176.870 0.093 0.000 1.022 245 L CA -0.748 54.143 54.840 0.084 0.000 0.814 245 L CB 1.203 43.293 42.059 0.052 0.000 1.217 245 L HN 0.340 8.570 8.230 -0.000 0.000 0.420 246 C N 3.434 122.813 119.300 0.133 0.000 2.345 246 C HA 0.166 4.625 4.460 -0.001 0.000 0.349 246 C C 0.803 175.865 174.990 0.120 0.000 1.130 246 C CA -1.049 58.057 59.018 0.147 0.000 1.574 246 C CB -1.341 26.515 27.740 0.192 0.000 2.108 246 C HN 0.658 8.888 8.230 -0.000 0.000 0.516 247 K N 1.770 122.223 120.400 0.089 0.000 2.412 247 K HA 0.340 4.659 4.320 -0.001 0.000 0.281 247 K C 1.303 177.947 176.600 0.074 0.000 1.027 247 K CA 0.936 57.258 56.287 0.058 0.000 0.989 247 K CB 0.316 32.830 32.500 0.023 0.000 0.935 247 K HN 0.985 9.235 8.250 -0.000 0.000 0.475 248 G N 3.180 112.012 108.800 0.053 0.000 2.187 248 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.261 248 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.261 248 G C -0.270 174.674 174.900 0.072 0.000 1.000 248 G CA 0.383 45.513 45.100 0.050 0.000 0.718 248 G HN 0.946 9.236 8.290 -0.000 0.000 0.519 249 D N -0.931 119.538 120.400 0.114 0.000 2.746 249 D HA -0.146 4.493 4.640 -0.001 0.000 0.236 249 D C -0.004 176.349 176.300 0.088 0.000 1.129 249 D CA 1.476 55.581 54.000 0.174 0.000 0.691 249 D CB -1.480 39.438 40.800 0.197 0.000 1.077 249 D HN 0.668 9.038 8.370 -0.000 0.000 0.432 250 N N 0.488 119.232 118.700 0.073 0.000 2.342 250 N HA 0.491 5.230 4.740 -0.001 0.000 0.293 250 N C -0.462 175.057 175.510 0.016 0.000 1.026 250 N CA -0.606 52.434 53.050 -0.017 0.000 0.857 250 N CB 2.195 40.669 38.487 -0.023 0.000 1.256 250 N HN 0.082 8.462 8.380 -0.000 0.000 0.484 251 L N 2.770 123.929 121.223 -0.107 0.000 2.295 251 L HA 0.466 4.805 4.340 -0.001 0.000 0.285 251 L C -1.407 175.358 176.870 -0.176 0.000 1.035 251 L CA -0.444 54.363 54.840 -0.056 0.000 0.806 251 L CB 0.462 42.460 42.059 -0.101 0.000 1.214 251 L HN 0.373 8.603 8.230 -0.000 0.000 0.426 252 Y N 5.558 125.813 120.300 -0.075 0.000 2.328 252 Y HA 0.578 5.127 4.550 -0.001 0.000 0.337 252 Y C -0.538 175.291 175.900 -0.120 0.000 0.966 252 Y CA -0.466 57.579 58.100 -0.092 0.000 1.136 252 Y CB 1.374 39.799 38.460 -0.059 0.000 1.170 252 Y HN 0.396 8.676 8.280 -0.000 0.000 0.470 253 L N 3.598 124.745 121.223 -0.126 0.000 2.333 253 L HA 0.673 5.012 4.340 -0.001 0.000 0.280 253 L C -0.494 176.262 176.870 -0.191 0.000 1.004 253 L CA -0.492 54.147 54.840 -0.335 0.000 0.820 253 L CB 1.712 43.263 42.059 -0.847 0.000 1.247 253 L HN 0.539 8.769 8.230 -0.000 0.000 0.416 254 S N 1.773 117.473 115.700 0.000 0.000 2.548 254 S HA 0.924 5.393 4.470 -0.001 0.000 0.286 254 S C -0.715 174.133 174.600 0.413 0.000 1.098 254 S CA -0.709 57.630 58.200 0.231 0.000 0.930 254 S CB 2.409 65.823 63.200 0.357 0.000 1.070 254 S HN 0.742 9.052 8.310 -0.000 0.000 0.480 255 A N 1.401 124.516 122.820 0.491 0.000 2.594 255 A HA 0.846 5.165 4.320 -0.001 0.000 0.295 255 A C -1.693 176.159 177.584 0.447 0.000 1.071 255 A CA -0.695 51.654 52.037 0.521 0.000 0.685 255 A CB 1.341 20.648 19.000 0.512 0.000 1.285 255 A HN 0.691 8.841 8.150 -0.000 0.000 0.405 256 V N 1.412 121.545 119.914 0.365 0.000 2.733 256 V HA 0.534 4.653 4.120 -0.001 0.000 0.306 256 V C -1.385 174.748 176.094 0.065 0.000 1.084 256 V CA -0.608 61.770 62.300 0.129 0.000 0.905 256 V CB 2.196 34.024 31.823 0.009 0.000 1.010 256 V HN 0.875 9.065 8.190 -0.000 0.000 0.424 257 D N 3.176 123.593 120.400 0.028 0.000 2.656 257 D HA 0.205 4.844 4.640 -0.001 0.000 0.303 257 D C -0.517 175.711 176.300 -0.120 0.000 1.199 257 D CA -0.026 53.965 54.000 -0.014 0.000 0.797 257 D CB 2.083 43.002 40.800 0.198 0.000 1.170 257 D HN 0.264 8.634 8.370 -0.000 0.000 0.509 258 V N 1.350 121.125 119.914 -0.231 0.000 2.415 258 V HA -0.023 4.096 4.120 -0.001 0.000 0.267 258 V C 1.522 177.507 176.094 -0.181 0.000 1.042 258 V CA -0.185 62.019 62.300 -0.161 0.000 1.000 258 V CB 0.938 32.617 31.823 -0.240 0.000 1.015 258 V HN 0.579 8.769 8.190 -0.000 0.000 0.478 259 C N 3.864 123.166 119.300 0.003 0.000 2.533 259 C HA 0.529 4.988 4.460 -0.001 0.000 0.272 259 C C 1.439 176.525 174.990 0.159 0.000 1.371 259 C CA 0.566 59.652 59.018 0.113 0.000 1.758 259 C CB -1.332 26.489 27.740 0.135 0.000 1.972 259 C HN 1.176 9.406 8.230 -0.000 0.000 0.522 260 G N -0.473 108.454 108.800 0.211 0.000 2.302 260 G HA2 0.189 4.148 3.960 -0.001 0.000 0.264 260 G HA3 0.189 4.148 3.960 -0.001 0.000 0.264 260 G C -1.416 173.629 174.900 0.243 0.000 1.335 260 G CA -0.763 44.480 45.100 0.238 0.000 0.982 260 G HN 0.055 8.345 8.290 -0.000 0.000 0.473 261 M N 0.370 120.031 119.600 0.103 0.000 2.383 261 M HA 0.559 5.038 4.480 -0.001 0.000 0.325 261 M C -0.890 175.481 176.300 0.117 0.000 1.092 261 M CA -0.578 54.738 55.300 0.026 0.000 0.961 261 M CB 2.579 35.059 32.600 -0.201 0.000 1.672 261 M HN 0.498 8.788 8.290 -0.000 0.000 0.438 262 F N 1.618 121.590 119.950 0.038 0.000 2.404 262 F HA 0.415 4.941 4.527 -0.001 0.000 0.345 262 F C -0.367 175.448 175.800 0.025 0.000 1.110 262 F CA -0.176 57.870 58.000 0.075 0.000 1.130 262 F CB 0.976 40.113 39.000 0.228 0.000 1.129 262 F HN 0.408 8.708 8.300 -0.000 0.000 0.500 263 T N 6.278 120.377 114.554 -0.758 0.000 2.756 263 T HA 0.200 4.549 4.350 -0.001 0.000 0.290 263 T C -0.294 173.778 174.700 -1.046 0.000 0.985 263 T CA -0.813 60.881 62.100 -0.676 0.000 0.955 263 T CB 0.331 68.982 68.868 -0.361 0.000 0.930 263 T HN 0.693 8.933 8.240 -0.000 0.000 0.451 264 N N 2.585 120.838 118.700 -0.745 0.000 2.379 264 N HA 0.207 4.947 4.740 -0.001 0.000 0.260 264 N C 1.168 176.531 175.510 -0.244 0.000 1.254 264 N CA -0.762 52.007 53.050 -0.469 0.000 0.958 264 N CB 0.649 39.052 38.487 -0.140 0.000 1.208 264 N HN 0.325 8.705 8.380 -0.000 0.000 0.532 265 R N -0.928 119.499 120.500 -0.123 0.000 2.133 265 R HA -0.165 4.175 4.340 -0.001 0.000 0.247 265 R C 1.670 177.924 176.300 -0.077 0.000 1.151 265 R CA 2.018 58.070 56.100 -0.079 0.000 0.971 265 R CB -0.508 29.772 30.300 -0.034 0.000 0.866 265 R HN 0.847 9.117 8.270 -0.000 0.000 0.447 266 S N -1.444 114.210 115.700 -0.076 0.000 2.522 266 S HA 0.056 4.525 4.470 -0.001 0.000 0.227 266 S C 1.441 175.995 174.600 -0.077 0.000 0.986 266 S CA 0.724 58.886 58.200 -0.063 0.000 0.929 266 S CB 0.631 63.800 63.200 -0.051 0.000 0.769 266 S HN 0.553 8.863 8.310 -0.000 0.000 0.529 267 G N 1.112 109.846 108.800 -0.110 0.000 2.213 267 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.236 267 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.236 267 G C 0.258 175.081 174.900 -0.128 0.000 0.991 267 G CA 0.156 45.185 45.100 -0.117 0.000 0.629 267 G HN 1.443 9.733 8.290 -0.000 0.000 0.517 268 S N -0.039 115.590 115.700 -0.119 0.000 2.579 268 S HA 0.610 5.080 4.470 -0.001 0.000 0.275 268 S C -0.080 174.432 174.600 -0.147 0.000 1.345 268 S CA 0.235 58.369 58.200 -0.110 0.000 1.031 268 S CB 1.588 64.744 63.200 -0.074 0.000 0.892 268 S HN 0.578 8.888 8.310 -0.000 0.000 0.529 269 Q N 1.217 120.932 119.800 -0.141 0.000 2.356 269 Q HA 0.444 4.783 4.340 -0.001 0.000 0.270 269 Q C -1.112 174.804 176.000 -0.140 0.000 1.058 269 Q CA -0.590 55.112 55.803 -0.168 0.000 0.802 269 Q CB 2.297 30.901 28.738 -0.222 0.000 1.303 269 Q HN 0.751 9.021 8.270 -0.000 0.000 0.444 270 Q N 1.048 120.828 119.800 -0.034 0.000 2.375 270 Q HA 0.371 4.710 4.340 -0.001 0.000 0.271 270 Q C -1.320 174.731 176.000 0.086 0.000 1.074 270 Q CA -0.741 55.097 55.803 0.059 0.000 0.808 270 Q CB 1.969 30.892 28.738 0.308 0.000 1.327 270 Q HN 0.476 8.746 8.270 -0.000 0.000 0.441 271 W N 1.404 122.787 121.300 0.138 0.000 2.193 271 W HA 0.255 4.915 4.660 -0.001 0.000 0.338 271 W C 0.534 177.080 176.519 0.044 0.000 1.310 271 W CA -0.001 57.391 57.345 0.079 0.000 1.243 271 W CB 0.425 29.912 29.460 0.044 0.000 1.165 271 W HN 0.343 8.523 8.180 -0.000 0.000 0.566 272 R N 2.012 122.641 120.500 0.215 0.000 2.513 272 R HA 0.646 4.985 4.340 -0.001 0.000 0.301 272 R C -0.364 175.904 176.300 -0.053 0.000 0.968 272 R CA -0.560 55.469 56.100 -0.117 0.000 0.872 272 R CB 1.042 31.200 30.300 -0.236 0.000 1.177 272 R HN 0.564 8.834 8.270 -0.000 0.000 0.444 273 G N 3.072 111.805 108.800 -0.113 0.000 2.511 273 G HA2 0.704 4.663 3.960 -0.001 0.000 0.318 273 G HA3 0.704 4.663 3.960 -0.001 0.000 0.318 273 G C -1.362 173.505 174.900 -0.055 0.000 1.210 273 G CA -0.645 44.427 45.100 -0.047 0.000 0.969 273 G HN 0.444 8.734 8.290 -0.000 0.000 0.484 274 L N -0.093 121.135 121.223 0.008 0.000 2.350 274 L HA 0.473 4.812 4.340 -0.001 0.000 0.260 274 L C 0.342 177.250 176.870 0.063 0.000 1.015 274 L CA -0.932 53.917 54.840 0.016 0.000 0.821 274 L CB 2.375 44.444 42.059 0.017 0.000 1.370 274 L HN 0.477 8.707 8.230 -0.000 0.000 0.416 275 S N 0.552 116.290 115.700 0.063 0.000 2.593 275 S HA 0.384 4.854 4.470 -0.001 0.000 0.269 275 S C -0.280 174.402 174.600 0.136 0.000 1.334 275 S CA -0.382 57.895 58.200 0.129 0.000 1.015 275 S CB 0.907 64.175 63.200 0.115 0.000 0.912 275 S HN 0.463 8.773 8.310 -0.000 0.000 0.541 276 R N 0.965 121.593 120.500 0.213 0.000 2.513 276 R HA 0.328 4.668 4.340 -0.001 0.000 0.301 276 R C -1.595 174.845 176.300 0.234 0.000 0.968 276 R CA -0.652 55.532 56.100 0.140 0.000 0.872 276 R CB 0.840 31.189 30.300 0.082 0.000 1.177 276 R HN 0.752 9.022 8.270 -0.000 0.000 0.444 277 Y N 4.643 124.927 120.300 -0.027 0.000 2.319 277 Y HA 0.384 4.933 4.550 -0.001 0.000 0.328 277 Y C -1.522 174.282 175.900 -0.161 0.000 1.133 277 Y CA 0.038 58.155 58.100 0.027 0.000 1.265 277 Y CB 0.635 39.077 38.460 -0.030 0.000 1.218 277 Y HN 0.488 8.768 8.280 -0.000 0.000 0.508 278 F N 5.407 124.953 119.950 -0.674 0.000 2.529 278 F HA 0.464 4.990 4.527 -0.001 0.000 0.320 278 F C -0.518 174.745 175.800 -0.895 0.000 1.118 278 F CA -1.038 56.582 58.000 -0.633 0.000 0.915 278 F CB 1.998 40.811 39.000 -0.312 0.000 1.161 278 F HN 0.339 8.639 8.300 -0.000 0.000 0.445 279 K N 3.442 123.539 120.400 -0.505 0.000 2.545 279 K HA 0.687 5.007 4.320 -0.001 0.000 0.252 279 K C -1.990 174.543 176.600 -0.111 0.000 0.948 279 K CA -0.436 55.681 56.287 -0.284 0.000 0.827 279 K CB 1.820 34.218 32.500 -0.171 0.000 1.128 279 K HN 0.518 8.768 8.250 -0.000 0.000 0.429 280 V N 4.445 124.315 119.914 -0.073 0.000 2.448 280 V HA 0.292 4.411 4.120 -0.001 0.000 0.295 280 V C -0.436 175.631 176.094 -0.044 0.000 1.025 280 V CA -0.945 61.335 62.300 -0.033 0.000 0.859 280 V CB 1.688 33.500 31.823 -0.018 0.000 0.988 280 V HN 0.688 8.878 8.190 -0.000 0.000 0.431 281 Q N 4.394 124.185 119.800 -0.015 0.000 2.256 281 Q HA 0.682 5.021 4.340 -0.001 0.000 0.254 281 Q C -1.127 174.883 176.000 0.018 0.000 0.916 281 Q CA -0.382 55.416 55.803 -0.007 0.000 0.932 281 Q CB 2.275 31.021 28.738 0.014 0.000 1.207 281 Q HN 0.537 8.807 8.270 -0.000 0.000 0.426 282 L N 2.086 123.318 121.223 0.016 0.000 2.371 282 L HA 0.631 4.970 4.340 -0.001 0.000 0.262 282 L C -0.095 176.938 176.870 0.272 0.000 1.006 282 L CA -0.751 54.157 54.840 0.113 0.000 0.818 282 L CB 1.938 44.017 42.059 0.034 0.000 1.354 282 L HN 0.560 8.790 8.230 -0.000 0.000 0.415 283 R N 0.026 120.745 120.500 0.365 0.000 2.837 283 R HA 0.664 5.003 4.340 -0.001 0.000 0.271 283 R C -1.336 175.101 176.300 0.228 0.000 0.993 283 R CA -1.063 55.235 56.100 0.330 0.000 0.931 283 R CB 1.714 32.109 30.300 0.159 0.000 1.206 283 R HN 0.369 8.639 8.270 -0.000 0.000 0.474 284 K N 1.683 122.059 120.400 -0.040 0.000 2.276 284 K HA 0.223 4.543 4.320 -0.001 0.000 0.283 284 K C -0.421 176.094 176.600 -0.143 0.000 1.044 284 K CA -0.382 55.715 56.287 -0.316 0.000 0.944 284 K CB 1.239 33.450 32.500 -0.482 0.000 1.012 284 K HN 0.439 8.689 8.250 -0.000 0.000 0.472 285 R N 2.207 122.625 120.500 -0.137 0.000 2.561 285 R HA 0.198 4.537 4.340 -0.001 0.000 0.297 285 R C -0.957 175.289 176.300 -0.089 0.000 0.969 285 R CA -0.775 55.282 56.100 -0.073 0.000 0.879 285 R CB 1.349 31.636 30.300 -0.021 0.000 1.178 285 R HN 0.519 8.789 8.270 -0.000 0.000 0.445 286 R N 2.991 123.449 120.500 -0.070 0.000 2.438 286 R HA 0.392 4.731 4.340 -0.001 0.000 0.287 286 R C -1.106 175.166 176.300 -0.047 0.000 1.077 286 R CA -0.227 55.834 56.100 -0.065 0.000 1.034 286 R CB 0.883 31.150 30.300 -0.055 0.000 0.993 286 R HN 0.367 8.637 8.270 -0.000 0.000 0.459 287 V N 3.666 123.552 119.914 -0.047 0.000 2.962 287 V HA 0.426 4.545 4.120 -0.001 0.000 0.313 287 V C -0.759 175.314 176.094 -0.035 0.000 1.099 287 V CA -0.915 61.363 62.300 -0.037 0.000 0.971 287 V CB 2.212 34.015 31.823 -0.033 0.000 1.028 287 V HN 0.731 8.921 8.190 -0.000 0.000 0.430 288 K N 2.222 122.603 120.400 -0.031 0.000 2.316 288 K HA 0.706 5.026 4.320 -0.001 0.000 0.251 288 K C 0.185 176.769 176.600 -0.027 0.000 0.934 288 K CA 0.736 57.006 56.287 -0.029 0.000 0.802 288 K CB 1.568 34.052 32.500 -0.027 0.000 1.171 288 K HN 1.323 9.573 8.250 -0.000 0.000 0.426 289 N N 0.000 118.685 118.700 -0.025 0.000 1.763 289 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 289 N CA 0.000 53.036 53.050 -0.023 0.000 0.885 289 N CB 0.000 38.474 38.487 -0.022 0.000 1.341 289 N HN 0.000 8.380 8.380 -0.000 0.000 0.667