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 2wlm_1_C DATA FIRST_RESID 12 DATA SEQUENCE PRILNSDGSS NITRLGXXXX XWLDDHYHDL LTVSWPVFIT LITGLYLVTN DATA SEQUENCE ALFALAYLAC GDVIENARPG SFTDAFFFSV QTMATIGYGK LIPIGPLANT DATA SEQUENCE LVTLEALCGM LGLAVAASLI YARFTRPTAG VLFSSRMVIS DFEGKPTLMM DATA SEQUENCE RLANLRIEQI IEADVHLVLV RSEISQEGMV FRRFHDLTLT RSRSPIFSLS DATA SEQUENCE WTVMHPIDHH SPIYGETDET LRNSHSEFLV LFTGHHEAFA QNVHARHAYS DATA SEQUENCE CDEIIWGGHF VDVFTTLPDG RRALDLGKFH EIAQ 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 12 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 12 P C 0.000 177.400 177.300 0.167 0.000 1.155 12 P CA 0.000 63.156 63.100 0.094 0.000 0.800 12 P CB 0.000 31.777 31.700 0.128 0.000 0.726 13 R N 0.479 121.041 120.500 0.104 0.000 2.438 13 R HA 0.351 4.686 4.340 -0.008 0.000 0.287 13 R C 0.795 177.147 176.300 0.087 0.000 1.077 13 R CA -0.732 55.449 56.100 0.135 0.000 1.034 13 R CB 1.201 31.528 30.300 0.044 0.000 0.993 13 R HN -0.184 8.086 8.270 -0.000 0.000 0.459 14 I N 2.208 122.830 120.570 0.088 0.000 2.252 14 I HA -0.083 4.082 4.170 -0.008 0.000 0.245 14 I C 1.140 177.244 176.117 -0.023 0.000 1.102 14 I CA 0.930 62.221 61.300 -0.014 0.000 1.385 14 I CB -1.097 36.863 38.000 -0.065 0.000 1.064 14 I HN 0.566 8.776 8.210 -0.000 0.000 0.414 15 L N 1.337 122.541 121.223 -0.031 0.000 2.329 15 L HA 0.368 4.703 4.340 -0.008 0.000 0.279 15 L C 0.002 176.826 176.870 -0.076 0.000 1.014 15 L CA -0.583 54.220 54.840 -0.061 0.000 0.814 15 L CB 1.400 43.404 42.059 -0.092 0.000 1.257 15 L HN 0.063 8.293 8.230 -0.000 0.000 0.424 16 N N 0.360 119.008 118.700 -0.086 0.000 2.408 16 N HA 0.184 4.920 4.740 -0.008 0.000 0.260 16 N C 0.834 176.229 175.510 -0.191 0.000 1.242 16 N CA -0.349 52.637 53.050 -0.105 0.000 0.959 16 N CB 1.155 39.596 38.487 -0.076 0.000 1.201 16 N HN 0.499 8.879 8.380 -0.000 0.000 0.511 17 S N 0.192 115.757 115.700 -0.224 0.000 2.382 17 S HA -0.173 4.293 4.470 -0.008 0.000 0.228 17 S C 1.192 175.568 174.600 -0.373 0.000 1.027 17 S CA 1.284 59.236 58.200 -0.414 0.000 0.991 17 S CB -0.309 62.715 63.200 -0.294 0.000 0.823 17 S HN 0.763 9.073 8.310 -0.000 0.000 0.469 18 D N 0.919 121.209 120.400 -0.183 0.000 2.378 18 D HA -0.003 4.632 4.640 -0.008 0.000 0.222 18 D C 1.373 177.599 176.300 -0.124 0.000 0.980 18 D CA 1.004 54.936 54.000 -0.114 0.000 0.907 18 D CB -0.515 40.255 40.800 -0.050 0.000 0.899 18 D HN 0.523 8.893 8.370 -0.000 0.000 0.527 19 G N 0.491 109.191 108.800 -0.165 0.000 2.195 19 G HA2 -0.288 3.667 3.960 -0.008 0.000 0.246 19 G HA3 -0.288 3.667 3.960 -0.008 0.000 0.246 19 G C 0.337 175.194 174.900 -0.072 0.000 0.984 19 G CA 0.383 45.406 45.100 -0.129 0.000 0.633 19 G HN 0.780 9.070 8.290 -0.000 0.000 0.525 20 S N 0.738 116.402 115.700 -0.060 0.000 2.528 20 S HA 0.628 5.093 4.470 -0.008 0.000 0.277 20 S C 0.710 175.291 174.600 -0.032 0.000 1.297 20 S CA 0.567 58.747 58.200 -0.033 0.000 1.052 20 S CB 1.650 64.834 63.200 -0.025 0.000 0.917 20 S HN 1.906 10.216 8.310 -0.000 0.000 0.492 21 S N 1.971 117.663 115.700 -0.014 0.000 2.573 21 S HA 0.153 4.618 4.470 -0.008 0.000 0.277 21 S C 0.033 174.625 174.600 -0.014 0.000 1.346 21 S CA -0.588 57.606 58.200 -0.010 0.000 1.034 21 S CB 0.098 63.306 63.200 0.013 0.000 0.879 21 S HN 0.818 9.128 8.310 -0.000 0.000 0.528 22 N N 1.844 120.535 118.700 -0.015 0.000 2.990 22 N HA 0.341 5.077 4.740 -0.008 0.000 0.288 22 N C -1.556 173.947 175.510 -0.012 0.000 1.624 22 N CA -0.505 52.537 53.050 -0.014 0.000 0.961 22 N CB -0.457 38.022 38.487 -0.014 0.000 1.259 22 N HN 0.543 8.923 8.380 -0.000 0.000 0.489 23 I N 0.452 121.016 120.570 -0.009 0.000 2.689 23 I HA 0.337 4.502 4.170 -0.008 0.000 0.299 23 I C 0.209 176.322 176.117 -0.007 0.000 1.059 23 I CA -0.737 60.558 61.300 -0.009 0.000 1.055 23 I CB 1.574 39.569 38.000 -0.007 0.000 1.243 23 I HN 0.042 8.252 8.210 -0.000 0.000 0.425 24 T N 4.933 119.483 114.554 -0.007 0.000 2.749 24 T HA 0.547 4.893 4.350 -0.008 0.000 0.295 24 T C 0.527 175.224 174.700 -0.006 0.000 0.936 24 T CA -0.433 61.664 62.100 -0.006 0.000 1.060 24 T CB 0.360 69.225 68.868 -0.005 0.000 0.904 24 T HN 0.729 8.969 8.240 -0.000 0.000 0.500 25 R N 3.212 123.709 120.500 -0.006 0.000 2.297 25 R HA 0.658 4.993 4.340 -0.008 0.000 0.308 25 R C -0.507 175.789 176.300 -0.007 0.000 1.029 25 R CA -0.565 55.531 56.100 -0.007 0.000 0.929 25 R CB -0.083 30.212 30.300 -0.008 0.000 1.046 25 R HN 0.788 9.058 8.270 -0.000 0.000 0.461 26 L N 3.006 124.224 121.223 -0.007 0.000 2.324 26 L HA 0.695 5.030 4.340 -0.008 0.000 0.274 26 L C 0.548 177.413 176.870 -0.008 0.000 1.012 26 L CA -0.844 53.992 54.840 -0.007 0.000 0.859 26 L CB 1.663 43.718 42.059 -0.006 0.000 1.224 26 L HN 0.922 9.152 8.230 -0.000 0.000 0.429 34 L N 1.445 122.694 121.223 0.044 0.000 2.693 34 L HA 0.173 4.508 4.340 -0.008 0.000 0.235 34 L C 1.678 178.593 176.870 0.075 0.000 1.127 34 L CA 0.796 55.673 54.840 0.061 0.000 0.914 34 L CB 0.283 42.362 42.059 0.032 0.000 1.193 34 L HN 0.332 8.562 8.230 -0.000 0.000 0.502 35 D N 1.175 121.610 120.400 0.059 0.000 2.106 35 D HA -0.235 4.400 4.640 -0.008 0.000 0.191 35 D C 1.021 177.386 176.300 0.108 0.000 0.997 35 D CA 1.503 55.537 54.000 0.057 0.000 0.834 35 D CB 0.225 41.042 40.800 0.029 0.000 0.956 35 D HN 0.067 8.437 8.370 -0.000 0.000 0.448 36 D N -0.900 119.568 120.400 0.113 0.000 3.163 36 D HA -0.010 4.626 4.640 -0.008 0.000 0.284 36 D C 1.433 177.858 176.300 0.209 0.000 1.368 36 D CA -0.200 53.880 54.000 0.135 0.000 0.895 36 D CB -0.344 40.459 40.800 0.005 0.000 1.061 36 D HN 0.391 8.761 8.370 -0.000 0.000 0.496 37 H N -0.131 119.008 119.070 0.116 0.000 2.319 37 H HA -0.244 4.307 4.556 -0.008 0.000 0.297 37 H C 1.335 176.769 175.328 0.176 0.000 1.097 37 H CA 1.274 57.400 56.048 0.131 0.000 1.285 37 H CB -0.795 29.037 29.762 0.116 0.000 1.368 37 H HN 0.350 8.630 8.280 -0.000 0.000 0.495 38 Y N 2.228 122.091 120.300 -0.729 0.000 2.163 38 Y HA -0.183 4.363 4.550 -0.008 0.000 0.288 38 Y C 3.229 179.031 175.900 -0.164 0.000 1.136 38 Y CA 1.875 59.659 58.100 -0.526 0.000 1.147 38 Y CB -0.877 37.284 38.460 -0.499 0.000 0.987 38 Y HN 0.421 8.701 8.280 -0.000 0.000 0.509 39 H N 0.216 119.137 119.070 -0.247 0.000 2.289 39 H HA -0.178 4.374 4.556 -0.007 0.000 0.296 39 H C 1.438 176.625 175.328 -0.236 0.000 1.091 39 H CA 2.274 58.167 56.048 -0.259 0.000 1.274 39 H CB -0.452 29.252 29.762 -0.097 0.000 1.364 39 H HN 0.342 8.622 8.280 -0.000 0.000 0.490 40 D N 0.834 121.285 120.400 0.084 0.000 2.133 40 D HA -0.143 4.492 4.640 -0.008 0.000 0.195 40 D C 2.700 178.927 176.300 -0.121 0.000 0.997 40 D CA 0.935 54.956 54.000 0.036 0.000 0.840 40 D CB -0.453 40.420 40.800 0.122 0.000 0.947 40 D HN 0.392 8.762 8.370 -0.000 0.000 0.452 41 L N 0.036 121.182 121.223 -0.128 0.000 2.093 41 L HA -0.093 4.243 4.340 -0.008 0.000 0.208 41 L C 2.348 179.039 176.870 -0.299 0.000 1.085 41 L CA 0.601 55.388 54.840 -0.088 0.000 0.755 41 L CB -0.162 41.906 42.059 0.015 0.000 0.904 41 L HN 0.052 8.282 8.230 -0.000 0.000 0.435 42 L N -1.455 119.481 121.223 -0.478 0.000 2.418 42 L HA -0.055 4.280 4.340 -0.008 0.000 0.218 42 L C 2.123 178.669 176.870 -0.540 0.000 1.125 42 L CA 0.692 55.189 54.840 -0.572 0.000 0.835 42 L CB -0.439 41.247 42.059 -0.622 0.000 0.953 42 L HN 0.201 8.431 8.230 -0.000 0.000 0.454 43 T N -0.964 113.288 114.554 -0.503 0.000 3.044 43 T HA 0.083 4.428 4.350 -0.008 0.000 0.255 43 T C 0.970 175.492 174.700 -0.297 0.000 1.073 43 T CA -0.016 61.819 62.100 -0.440 0.000 1.125 43 T CB 0.300 68.833 68.868 -0.559 0.000 0.908 43 T HN -0.114 8.126 8.240 -0.000 0.000 0.480 44 V N 3.431 123.193 119.914 -0.253 0.000 2.999 44 V HA 0.143 4.258 4.120 -0.008 0.000 0.307 44 V C 0.842 176.810 176.094 -0.211 0.000 1.084 44 V CA -0.535 61.673 62.300 -0.154 0.000 1.155 44 V CB 0.960 32.751 31.823 -0.054 0.000 0.975 44 V HN 0.580 8.770 8.190 -0.000 0.000 0.490 45 S N 2.813 118.452 115.700 -0.101 0.000 2.576 45 S HA 0.062 4.527 4.470 -0.008 0.000 0.276 45 S C 0.621 175.224 174.600 0.004 0.000 1.339 45 S CA -0.263 57.898 58.200 -0.066 0.000 1.039 45 S CB 0.177 63.391 63.200 0.024 0.000 0.902 45 S HN 0.645 8.955 8.310 -0.000 0.000 0.516 46 W N 2.222 123.559 121.300 0.061 0.000 2.302 46 W HA -0.046 4.610 4.660 -0.007 0.000 0.320 46 W C -0.857 175.756 176.519 0.157 0.000 1.241 46 W CA 1.806 59.227 57.345 0.126 0.000 1.264 46 W CB -1.889 27.625 29.460 0.089 0.000 1.154 46 W HN 0.613 8.793 8.180 -0.000 0.000 0.483 47 P HA -0.267 4.153 4.420 -0.000 0.000 0.214 47 P C 1.640 179.046 177.300 0.177 0.000 1.172 47 P CA 2.536 65.761 63.100 0.209 0.000 0.925 47 P CB -0.478 31.308 31.700 0.143 0.000 0.793 48 V N -1.032 118.968 119.914 0.143 0.000 2.255 48 V HA -0.272 3.843 4.120 -0.008 0.000 0.247 48 V C 2.274 178.445 176.094 0.129 0.000 1.051 48 V CA 2.096 64.460 62.300 0.107 0.000 1.018 48 V CB -1.466 30.401 31.823 0.075 0.000 0.641 48 V HN 0.004 8.194 8.190 -0.000 0.000 0.445 49 F N 0.849 120.806 119.950 0.011 0.000 2.065 49 F HA -0.254 4.269 4.527 -0.008 0.000 0.298 49 F C 2.140 177.990 175.800 0.083 0.000 1.112 49 F CA 1.993 59.994 58.000 0.002 0.000 1.212 49 F CB -0.374 38.562 39.000 -0.106 0.000 0.975 49 F HN 0.087 8.387 8.300 -0.000 0.000 0.476 50 I N -0.462 120.167 120.570 0.100 0.000 2.226 50 I HA -0.329 3.837 4.170 -0.008 0.000 0.245 50 I C 2.263 178.349 176.117 -0.053 0.000 1.100 50 I CA 1.693 62.987 61.300 -0.011 0.000 1.374 50 I CB -1.175 36.916 38.000 0.151 0.000 1.057 50 I HN 0.174 8.384 8.210 -0.000 0.000 0.413 51 T N 1.738 116.300 114.554 0.013 0.000 2.607 51 T HA -0.190 4.155 4.350 -0.008 0.000 0.267 51 T C 2.005 176.697 174.700 -0.013 0.000 1.049 51 T CA 1.460 63.571 62.100 0.018 0.000 1.162 51 T CB -0.498 68.394 68.868 0.040 0.000 0.863 51 T HN 0.230 8.470 8.240 -0.000 0.000 0.424 52 L N 0.237 121.435 121.223 -0.041 0.000 1.997 52 L HA -0.169 4.166 4.340 -0.008 0.000 0.216 52 L C 2.582 179.406 176.870 -0.077 0.000 1.074 52 L CA 1.560 56.371 54.840 -0.049 0.000 0.763 52 L CB -0.653 41.370 42.059 -0.059 0.000 0.890 52 L HN 0.304 8.534 8.230 -0.000 0.000 0.434 53 I N -0.698 119.751 120.570 -0.203 0.000 2.099 53 I HA -0.340 3.825 4.170 -0.008 0.000 0.239 53 I C 2.545 178.648 176.117 -0.024 0.000 1.066 53 I CA 1.959 63.150 61.300 -0.182 0.000 1.324 53 I CB -0.630 37.157 38.000 -0.356 0.000 1.037 53 I HN 0.359 8.569 8.210 -0.000 0.000 0.401 54 T N 0.614 115.167 114.554 -0.003 0.000 2.597 54 T HA -0.221 4.124 4.350 -0.008 0.000 0.267 54 T C 1.889 176.685 174.700 0.159 0.000 1.053 54 T CA 1.728 63.901 62.100 0.122 0.000 1.165 54 T CB -1.186 67.739 68.868 0.095 0.000 0.863 54 T HN 0.606 8.846 8.240 -0.000 0.000 0.427 55 G N 2.030 110.883 108.800 0.087 0.000 2.599 55 G HA2 -0.261 3.695 3.960 -0.008 0.000 0.219 55 G HA3 -0.261 3.695 3.960 -0.008 0.000 0.219 55 G C 1.508 176.465 174.900 0.095 0.000 1.193 55 G CA 1.293 46.440 45.100 0.078 0.000 0.778 55 G HN 0.414 8.704 8.290 -0.000 0.000 0.589 56 L N -0.240 121.035 121.223 0.086 0.000 2.021 56 L HA -0.171 4.164 4.340 -0.008 0.000 0.215 56 L C 2.468 179.429 176.870 0.152 0.000 1.074 56 L CA 2.223 57.122 54.840 0.099 0.000 0.760 56 L CB -1.211 40.893 42.059 0.074 0.000 0.889 56 L HN 0.386 8.616 8.230 -0.000 0.000 0.433 57 Y N -0.124 120.191 120.300 0.024 0.000 2.030 57 Y HA -0.284 4.261 4.550 -0.008 0.000 0.274 57 Y C 2.372 178.314 175.900 0.070 0.000 1.153 57 Y CA 2.280 60.395 58.100 0.025 0.000 1.115 57 Y CB -0.781 37.682 38.460 0.006 0.000 0.969 57 Y HN 0.216 8.496 8.280 -0.000 0.000 0.488 58 L N -1.075 120.130 121.223 -0.029 0.000 1.971 58 L HA -0.290 4.045 4.340 -0.008 0.000 0.215 58 L C 2.428 179.369 176.870 0.118 0.000 1.072 58 L CA 1.728 56.571 54.840 0.006 0.000 0.758 58 L CB -1.428 40.685 42.059 0.089 0.000 0.889 58 L HN 0.147 8.377 8.230 -0.000 0.000 0.433 59 V N 0.513 120.490 119.914 0.105 0.000 2.223 59 V HA -0.417 3.698 4.120 -0.008 0.000 0.253 59 V C 2.841 179.018 176.094 0.138 0.000 1.061 59 V CA 2.979 65.347 62.300 0.114 0.000 1.035 59 V CB -1.342 30.532 31.823 0.084 0.000 0.653 59 V HN 0.780 8.970 8.190 -0.000 0.000 0.454 60 T N -1.438 113.189 114.554 0.122 0.000 2.737 60 T HA -0.282 4.063 4.350 -0.008 0.000 0.269 60 T C 1.743 176.573 174.700 0.218 0.000 1.040 60 T CA 1.997 64.199 62.100 0.169 0.000 1.142 60 T CB -0.636 68.339 68.868 0.179 0.000 0.861 60 T HN 0.478 8.718 8.240 -0.000 0.000 0.456 61 N N 1.940 120.679 118.700 0.065 0.000 2.120 61 N HA -0.023 4.712 4.740 -0.008 0.000 0.188 61 N C 2.367 177.983 175.510 0.176 0.000 1.024 61 N CA 1.564 54.581 53.050 -0.056 0.000 0.852 61 N CB -0.714 37.435 38.487 -0.563 0.000 1.003 61 N HN 0.655 9.035 8.380 -0.000 0.000 0.424 62 A N 1.871 124.928 122.820 0.395 0.000 1.865 62 A HA -0.128 4.188 4.320 -0.008 0.000 0.217 62 A C 2.459 180.291 177.584 0.414 0.000 1.191 62 A CA 1.098 53.485 52.037 0.584 0.000 0.623 62 A CB -0.954 18.349 19.000 0.505 0.000 0.826 62 A HN 0.218 8.368 8.150 -0.000 0.000 0.444 63 L N -2.223 119.150 121.223 0.250 0.000 1.997 63 L HA -0.254 4.081 4.340 -0.008 0.000 0.216 63 L C 2.581 179.500 176.870 0.082 0.000 1.074 63 L CA 1.957 56.870 54.840 0.122 0.000 0.763 63 L CB -0.663 41.422 42.059 0.043 0.000 0.890 63 L HN 0.423 8.653 8.230 -0.000 0.000 0.434 64 F N -0.299 119.682 119.950 0.052 0.000 2.095 64 F HA -0.283 4.239 4.527 -0.008 0.000 0.298 64 F C 2.585 178.442 175.800 0.095 0.000 1.104 64 F CA 1.430 59.428 58.000 -0.003 0.000 1.232 64 F CB -0.626 38.370 39.000 -0.008 0.000 0.987 64 F HN 0.052 8.352 8.300 -0.000 0.000 0.475 65 A N 0.129 123.186 122.820 0.395 0.000 1.884 65 A HA -0.254 4.062 4.320 -0.008 0.000 0.219 65 A C 2.070 179.874 177.584 0.367 0.000 1.197 65 A CA 2.033 54.303 52.037 0.388 0.000 0.637 65 A CB -1.213 17.869 19.000 0.137 0.000 0.827 65 A HN 0.282 8.432 8.150 -0.000 0.000 0.450 66 L N -0.416 121.010 121.223 0.339 0.000 2.013 66 L HA -0.228 4.108 4.340 -0.008 0.000 0.212 66 L C 3.063 179.998 176.870 0.108 0.000 1.073 66 L CA 2.152 57.127 54.840 0.225 0.000 0.753 66 L CB -1.167 40.980 42.059 0.148 0.000 0.890 66 L HN 0.445 8.675 8.230 -0.000 0.000 0.432 67 A N -1.571 121.247 122.820 -0.003 0.000 1.892 67 A HA -0.291 4.025 4.320 -0.008 0.000 0.218 67 A C 2.252 179.790 177.584 -0.077 0.000 1.188 67 A CA 2.071 54.027 52.037 -0.135 0.000 0.631 67 A CB -1.052 17.733 19.000 -0.358 0.000 0.822 67 A HN 0.468 8.618 8.150 -0.000 0.000 0.447 68 Y N -0.183 120.193 120.300 0.127 0.000 2.089 68 Y HA -0.181 4.364 4.550 -0.008 0.000 0.282 68 Y C 2.409 178.361 175.900 0.088 0.000 1.139 68 Y CA 1.456 59.632 58.100 0.128 0.000 1.123 68 Y CB -0.428 38.139 38.460 0.180 0.000 0.980 68 Y HN 0.159 8.439 8.280 -0.000 0.000 0.493 69 L N -0.414 120.972 121.223 0.272 0.000 2.021 69 L HA -0.363 3.972 4.340 -0.008 0.000 0.215 69 L C 2.747 179.689 176.870 0.119 0.000 1.074 69 L CA 1.248 56.194 54.840 0.177 0.000 0.760 69 L CB -1.118 41.055 42.059 0.191 0.000 0.889 69 L HN 0.318 8.548 8.230 -0.000 0.000 0.433 70 A N -0.598 122.280 122.820 0.097 0.000 1.927 70 A HA -0.294 4.022 4.320 -0.008 0.000 0.220 70 A C 2.399 180.011 177.584 0.047 0.000 1.185 70 A CA 2.284 54.352 52.037 0.051 0.000 0.639 70 A CB -1.244 17.767 19.000 0.018 0.000 0.820 70 A HN 0.601 8.751 8.150 -0.000 0.000 0.451 71 C N -1.877 117.460 119.300 0.063 0.000 2.440 71 C HA 0.388 4.844 4.460 -0.008 0.000 0.278 71 C C 1.577 176.604 174.990 0.061 0.000 1.295 71 C CA 0.527 59.581 59.018 0.061 0.000 1.738 71 C CB -1.611 26.181 27.740 0.086 0.000 1.987 71 C HN 1.497 9.727 8.230 -0.000 0.000 0.492 72 G N 1.126 109.971 108.800 0.076 0.000 3.436 72 G HA2 0.090 4.046 3.960 -0.008 0.000 0.685 72 G HA3 0.090 4.046 3.960 -0.008 0.000 0.685 72 G C -0.578 174.349 174.900 0.045 0.000 1.039 72 G CA -0.159 44.976 45.100 0.059 0.000 0.879 72 G HN 0.416 8.706 8.290 -0.000 0.000 0.478 73 D N -0.856 119.566 120.400 0.037 0.000 2.689 73 D HA -0.202 4.434 4.640 -0.008 0.000 0.237 73 D C 1.542 177.835 176.300 -0.011 0.000 1.148 73 D CA 1.755 55.759 54.000 0.006 0.000 0.656 73 D CB -1.417 39.386 40.800 0.005 0.000 1.050 73 D HN 1.567 9.937 8.370 -0.000 0.000 0.426 74 V N -2.220 117.688 119.914 -0.011 0.000 3.376 74 V HA 0.328 4.443 4.120 -0.008 0.000 0.313 74 V C 0.914 176.926 176.094 -0.136 0.000 1.393 74 V CA -0.203 62.084 62.300 -0.022 0.000 1.125 74 V CB 0.005 31.867 31.823 0.066 0.000 1.037 74 V HN 0.218 8.408 8.190 -0.000 0.000 0.440 75 I N 1.008 121.443 120.570 -0.225 0.000 2.418 75 I HA 0.459 4.624 4.170 -0.008 0.000 0.287 75 I C 0.120 176.071 176.117 -0.277 0.000 1.008 75 I CA -0.706 60.340 61.300 -0.422 0.000 1.104 75 I CB 1.959 39.497 38.000 -0.770 0.000 1.264 75 I HN 0.002 8.212 8.210 -0.000 0.000 0.438 76 E N 6.118 126.177 120.200 -0.235 0.000 2.534 76 E HA -0.094 4.251 4.350 -0.008 0.000 0.264 76 E C 0.426 176.948 176.600 -0.131 0.000 0.981 76 E CA 0.961 57.277 56.400 -0.140 0.000 0.948 76 E CB 0.151 29.790 29.700 -0.102 0.000 0.934 76 E HN 0.537 8.897 8.360 -0.000 0.000 0.459 77 N N 0.574 119.225 118.700 -0.081 0.000 2.714 77 N HA -0.250 4.486 4.740 -0.008 0.000 0.250 77 N C -1.303 174.171 175.510 -0.059 0.000 1.117 77 N CA 1.046 54.061 53.050 -0.058 0.000 0.719 77 N CB -1.218 37.242 38.487 -0.045 0.000 1.081 77 N HN 0.444 8.824 8.380 -0.000 0.000 0.557 78 A N 0.653 123.426 122.820 -0.077 0.000 2.276 78 A HA 0.495 4.810 4.320 -0.008 0.000 0.316 78 A C 0.600 178.170 177.584 -0.024 0.000 1.229 78 A CA -0.552 51.450 52.037 -0.058 0.000 0.851 78 A CB 0.819 19.756 19.000 -0.106 0.000 1.165 78 A HN 0.215 8.365 8.150 -0.000 0.000 0.513 79 R N 2.417 122.918 120.500 0.002 0.000 2.504 79 R HA 0.101 4.436 4.340 -0.008 0.000 0.291 79 R C -2.390 173.922 176.300 0.020 0.000 0.974 79 R CA -0.862 55.246 56.100 0.015 0.000 1.077 79 R CB -0.270 30.049 30.300 0.031 0.000 0.926 79 R HN 0.442 8.712 8.270 -0.000 0.000 0.407 80 P HA -0.081 4.339 4.420 -0.000 0.000 0.262 80 P C 0.380 177.704 177.300 0.040 0.000 1.182 80 P CA 0.831 63.943 63.100 0.021 0.000 0.761 80 P CB 0.498 32.208 31.700 0.017 0.000 0.795 81 G N 2.483 111.313 108.800 0.050 0.000 2.390 81 G HA2 -0.225 3.730 3.960 -0.008 0.000 0.299 81 G HA3 -0.225 3.730 3.960 -0.008 0.000 0.299 81 G C 0.174 175.132 174.900 0.097 0.000 1.002 81 G CA 0.476 45.620 45.100 0.073 0.000 0.979 81 G HN 0.781 9.071 8.290 -0.000 0.000 0.513 82 S N -0.964 114.799 115.700 0.104 0.000 2.456 82 S HA 0.613 5.079 4.470 -0.008 0.000 0.316 82 S C 0.857 175.568 174.600 0.186 0.000 1.089 82 S CA -0.100 58.181 58.200 0.136 0.000 1.101 82 S CB 1.465 64.728 63.200 0.105 0.000 0.995 82 S HN 0.855 9.165 8.310 -0.000 0.000 0.468 83 F N 4.745 124.744 119.950 0.082 0.000 2.134 83 F HA -0.039 4.484 4.527 -0.008 0.000 0.299 83 F C 2.164 178.048 175.800 0.141 0.000 1.097 83 F CA 2.312 60.372 58.000 0.100 0.000 1.264 83 F CB -1.002 38.029 39.000 0.051 0.000 1.001 83 F HN 0.690 8.990 8.300 -0.000 0.000 0.479 84 T N 0.555 115.165 114.554 0.093 0.000 2.570 84 T HA -0.272 4.073 4.350 -0.008 0.000 0.266 84 T C 1.398 176.202 174.700 0.174 0.000 1.071 84 T CA 1.975 64.121 62.100 0.077 0.000 1.172 84 T CB -0.726 68.290 68.868 0.245 0.000 0.864 84 T HN 0.247 8.487 8.240 -0.000 0.000 0.421 85 D N 1.445 121.960 120.400 0.192 0.000 2.126 85 D HA -0.119 4.517 4.640 -0.008 0.000 0.190 85 D C 2.343 178.731 176.300 0.146 0.000 1.001 85 D CA 1.551 55.661 54.000 0.183 0.000 0.841 85 D CB -0.702 40.154 40.800 0.094 0.000 0.949 85 D HN 0.445 8.815 8.370 -0.000 0.000 0.446 86 A N 0.035 122.891 122.820 0.060 0.000 1.883 86 A HA -0.176 4.139 4.320 -0.008 0.000 0.217 86 A C 2.155 179.758 177.584 0.032 0.000 1.186 86 A CA 1.448 53.526 52.037 0.068 0.000 0.624 86 A CB -1.122 17.937 19.000 0.099 0.000 0.822 86 A HN 0.289 8.439 8.150 -0.000 0.000 0.444 87 F N -0.313 119.394 119.950 -0.404 0.000 2.046 87 F HA -0.212 4.311 4.527 -0.008 0.000 0.297 87 F C 2.020 177.634 175.800 -0.309 0.000 1.123 87 F CA 2.102 59.781 58.000 -0.536 0.000 1.199 87 F CB -0.567 37.836 39.000 -0.995 0.000 0.972 87 F HN 0.225 8.525 8.300 -0.000 0.000 0.474 88 F N -0.717 119.228 119.950 -0.009 0.000 2.126 88 F HA -0.227 4.295 4.527 -0.007 0.000 0.299 88 F C 2.314 178.057 175.800 -0.095 0.000 1.096 88 F CA 1.538 59.505 58.000 -0.056 0.000 1.255 88 F CB -0.915 38.146 39.000 0.102 0.000 0.997 88 F HN 0.135 8.435 8.300 -0.000 0.000 0.479 89 F N 0.635 120.591 119.950 0.010 0.000 2.095 89 F HA -0.286 4.237 4.527 -0.008 0.000 0.298 89 F C 2.693 178.388 175.800 -0.175 0.000 1.104 89 F CA 1.666 59.610 58.000 -0.093 0.000 1.232 89 F CB -1.088 37.807 39.000 -0.175 0.000 0.987 89 F HN -0.042 8.258 8.300 -0.000 0.000 0.475 90 S N 0.002 115.497 115.700 -0.342 0.000 2.370 90 S HA -0.188 4.278 4.470 -0.008 0.000 0.226 90 S C 2.313 176.611 174.600 -0.503 0.000 1.033 90 S CA 2.121 60.074 58.200 -0.411 0.000 1.011 90 S CB -1.238 61.854 63.200 -0.178 0.000 0.852 90 S HN 0.475 8.785 8.310 -0.000 0.000 0.457 91 V N 0.834 120.435 119.914 -0.522 0.000 2.270 91 V HA -0.152 3.963 4.120 -0.008 0.000 0.245 91 V C 2.355 178.278 176.094 -0.285 0.000 1.043 91 V CA 2.026 64.083 62.300 -0.405 0.000 1.014 91 V CB -1.464 30.127 31.823 -0.387 0.000 0.645 91 V HN 0.624 8.814 8.190 -0.000 0.000 0.447 92 Q N 0.102 119.745 119.800 -0.262 0.000 2.197 92 Q HA -0.210 4.125 4.340 -0.008 0.000 0.207 92 Q C 2.353 178.143 176.000 -0.351 0.000 0.984 92 Q CA 2.238 57.879 55.803 -0.270 0.000 0.869 92 Q CB -0.676 27.959 28.738 -0.171 0.000 0.906 92 Q HN 0.724 8.994 8.270 -0.000 0.000 0.426 93 T N 0.610 114.856 114.554 -0.513 0.000 2.809 93 T HA -0.026 4.320 4.350 -0.008 0.000 0.260 93 T C 1.670 176.163 174.700 -0.345 0.000 1.039 93 T CA 0.775 62.572 62.100 -0.505 0.000 1.141 93 T CB -0.051 68.345 68.868 -0.785 0.000 0.869 93 T HN 0.253 8.493 8.240 -0.000 0.000 0.437 94 M N 0.356 119.746 119.600 -0.351 0.000 2.254 94 M HA 0.131 4.607 4.480 -0.008 0.000 0.265 94 M C 1.994 178.192 176.300 -0.169 0.000 1.066 94 M CA 1.338 56.471 55.300 -0.277 0.000 1.123 94 M CB -0.137 32.277 32.600 -0.309 0.000 1.388 94 M HN 0.281 8.571 8.290 -0.000 0.000 0.425 95 A N 0.071 122.802 122.820 -0.148 0.000 2.251 95 A HA 0.063 4.379 4.320 -0.008 0.000 0.209 95 A C 1.158 178.659 177.584 -0.138 0.000 1.187 95 A CA 1.135 53.108 52.037 -0.108 0.000 0.823 95 A CB -0.923 18.033 19.000 -0.074 0.000 0.846 95 A HN 0.792 8.942 8.150 -0.000 0.000 0.486 96 T N -2.710 111.741 114.554 -0.171 0.000 4.146 96 T HA -0.238 4.108 4.350 -0.008 0.000 0.336 96 T C 0.780 175.374 174.700 -0.176 0.000 0.762 96 T CA 1.396 63.399 62.100 -0.161 0.000 1.914 96 T CB -2.944 65.853 68.868 -0.117 0.000 1.897 96 T HN 0.543 8.783 8.240 -0.000 0.000 0.862 97 I N 0.824 121.249 120.570 -0.242 0.000 2.353 97 I HA 0.193 4.358 4.170 -0.008 0.000 0.248 97 I C 2.345 178.272 176.117 -0.317 0.000 1.119 97 I CA 0.681 61.779 61.300 -0.337 0.000 1.417 97 I CB -0.980 36.675 38.000 -0.577 0.000 1.078 97 I HN 0.801 9.011 8.210 -0.000 0.000 0.421 98 G N 0.927 109.568 108.800 -0.266 0.000 2.395 98 G HA2 -0.298 3.658 3.960 -0.008 0.000 0.292 98 G HA3 -0.298 3.658 3.960 -0.008 0.000 0.292 98 G C 0.389 175.261 174.900 -0.047 0.000 0.953 98 G CA 0.411 45.432 45.100 -0.132 0.000 1.207 98 G HN 0.435 8.725 8.290 -0.000 0.000 0.503 99 Y N -0.320 119.979 120.300 -0.001 0.000 2.040 99 Y HA -0.023 4.522 4.550 -0.008 0.000 0.275 99 Y C 2.730 178.638 175.900 0.014 0.000 1.171 99 Y CA 1.740 59.843 58.100 0.005 0.000 1.123 99 Y CB 0.080 38.544 38.460 0.006 0.000 0.963 99 Y HN 1.054 9.334 8.280 -0.000 0.000 0.493 100 G N -2.217 106.709 108.800 0.210 0.000 2.318 100 G HA2 -0.175 3.780 3.960 -0.008 0.000 0.172 100 G HA3 -0.175 3.780 3.960 -0.008 0.000 0.172 100 G C 1.079 176.032 174.900 0.088 0.000 1.002 100 G CA 0.146 45.320 45.100 0.123 0.000 0.697 100 G HN 0.076 8.366 8.290 -0.000 0.000 0.483 101 K N 0.274 120.730 120.400 0.093 0.000 1.975 101 K HA 0.201 4.517 4.320 -0.008 0.000 0.210 101 K C 1.418 178.033 176.600 0.024 0.000 1.041 101 K CA 0.667 56.978 56.287 0.039 0.000 0.942 101 K CB -0.610 31.901 32.500 0.020 0.000 0.729 101 K HN 0.484 8.734 8.250 -0.000 0.000 0.439 102 L N 2.438 123.695 121.223 0.058 0.000 2.360 102 L HA 0.275 4.610 4.340 -0.008 0.000 0.276 102 L C 0.221 177.085 176.870 -0.010 0.000 1.121 102 L CA 0.022 54.835 54.840 -0.045 0.000 0.845 102 L CB 0.171 42.253 42.059 0.039 0.000 1.143 102 L HN 0.077 8.307 8.230 -0.000 0.000 0.452 103 I N 3.744 124.193 120.570 -0.201 0.000 2.894 103 I HA 0.420 4.586 4.170 -0.008 0.000 0.302 103 I C -2.358 173.630 176.117 -0.216 0.000 1.188 103 I CA -2.189 59.071 61.300 -0.067 0.000 1.014 103 I CB 2.882 40.873 38.000 -0.015 0.000 1.242 103 I HN 0.389 8.599 8.210 -0.000 0.000 0.430 104 P HA 0.285 4.705 4.420 -0.000 0.000 0.272 104 P C -0.981 176.302 177.300 -0.028 0.000 1.230 104 P CA 0.155 63.242 63.100 -0.023 0.000 0.788 104 P CB 1.058 32.840 31.700 0.137 0.000 0.949 105 I N 0.698 121.258 120.570 -0.016 0.000 2.500 105 I HA 0.507 4.672 4.170 -0.008 0.000 0.286 105 I C 0.388 176.521 176.117 0.028 0.000 1.063 105 I CA -0.203 61.095 61.300 -0.003 0.000 1.062 105 I CB 1.588 39.571 38.000 -0.028 0.000 1.223 105 I HN 0.671 8.881 8.210 -0.000 0.000 0.435 106 G N 6.631 115.450 108.800 0.032 0.000 2.781 106 G HA2 -0.139 3.816 3.960 -0.008 0.000 0.683 106 G HA3 -0.139 3.816 3.960 -0.008 0.000 0.683 106 G C -2.634 172.299 174.900 0.054 0.000 1.390 106 G CA -0.916 44.206 45.100 0.038 0.000 0.850 106 G HN 0.446 8.736 8.290 -0.000 0.000 0.557 107 P HA -0.064 4.356 4.420 -0.000 0.000 0.215 107 P C 2.411 179.750 177.300 0.066 0.000 1.157 107 P CA 1.641 64.771 63.100 0.051 0.000 0.868 107 P CB 0.001 31.723 31.700 0.037 0.000 0.788 108 L N -0.967 120.294 121.223 0.063 0.000 1.989 108 L HA -0.227 4.108 4.340 -0.008 0.000 0.211 108 L C 2.546 179.488 176.870 0.120 0.000 1.071 108 L CA 1.897 56.778 54.840 0.070 0.000 0.749 108 L CB -1.573 40.519 42.059 0.056 0.000 0.890 108 L HN -0.037 8.193 8.230 -0.000 0.000 0.431 109 A N 0.676 123.592 122.820 0.160 0.000 1.859 109 A HA -0.259 4.056 4.320 -0.008 0.000 0.217 109 A C 2.106 179.882 177.584 0.320 0.000 1.198 109 A CA 2.299 54.509 52.037 0.287 0.000 0.629 109 A CB -0.790 18.324 19.000 0.189 0.000 0.830 109 A HN 0.519 8.669 8.150 -0.000 0.000 0.446 110 N N -0.639 118.179 118.700 0.197 0.000 2.142 110 N HA -0.110 4.626 4.740 -0.008 0.000 0.186 110 N C 1.797 177.398 175.510 0.153 0.000 1.023 110 N CA 1.872 55.026 53.050 0.173 0.000 0.852 110 N CB -0.687 37.866 38.487 0.111 0.000 0.998 110 N HN 0.546 8.926 8.380 -0.000 0.000 0.424 111 T N 2.739 117.365 114.554 0.119 0.000 2.652 111 T HA -0.087 4.259 4.350 -0.008 0.000 0.267 111 T C 2.195 176.963 174.700 0.114 0.000 1.039 111 T CA 0.731 62.886 62.100 0.091 0.000 1.153 111 T CB -0.445 68.460 68.868 0.061 0.000 0.863 111 T HN 0.156 8.396 8.240 -0.000 0.000 0.428 112 L N 0.732 122.030 121.223 0.125 0.000 2.081 112 L HA -0.164 4.171 4.340 -0.008 0.000 0.212 112 L C 2.645 179.670 176.870 0.258 0.000 1.080 112 L CA 1.078 56.000 54.840 0.137 0.000 0.754 112 L CB -0.734 41.269 42.059 -0.093 0.000 0.893 112 L HN 0.191 8.421 8.230 -0.000 0.000 0.433 113 V N -0.349 119.739 119.914 0.290 0.000 2.237 113 V HA -0.319 3.796 4.120 -0.008 0.000 0.245 113 V C 2.695 178.841 176.094 0.086 0.000 1.046 113 V CA 2.463 64.893 62.300 0.216 0.000 1.007 113 V CB -1.022 30.925 31.823 0.207 0.000 0.638 113 V HN 0.680 8.870 8.190 -0.000 0.000 0.445 114 T N -1.529 113.076 114.554 0.085 0.000 2.977 114 T HA -0.156 4.189 4.350 -0.008 0.000 0.271 114 T C 1.754 176.482 174.700 0.047 0.000 1.105 114 T CA 1.675 63.803 62.100 0.047 0.000 1.116 114 T CB -0.264 68.632 68.868 0.048 0.000 0.878 114 T HN 0.264 8.504 8.240 -0.000 0.000 0.509 115 L N 0.471 121.747 121.223 0.089 0.000 2.102 115 L HA 0.278 4.613 4.340 -0.008 0.000 0.202 115 L C 2.705 179.637 176.870 0.103 0.000 1.076 115 L CA 1.673 56.588 54.840 0.125 0.000 0.761 115 L CB -0.500 41.677 42.059 0.196 0.000 0.921 115 L HN 0.305 8.535 8.230 -0.000 0.000 0.444 116 E N -0.454 119.742 120.200 -0.006 0.000 2.023 116 E HA -0.287 4.058 4.350 -0.008 0.000 0.196 116 E C 2.122 178.565 176.600 -0.261 0.000 1.003 116 E CA 1.477 57.594 56.400 -0.471 0.000 0.809 116 E CB -0.258 28.961 29.700 -0.801 0.000 0.755 116 E HN 0.544 8.904 8.360 -0.000 0.000 0.449 117 A N 1.192 123.912 122.820 -0.167 0.000 1.873 117 A HA -0.311 4.004 4.320 -0.008 0.000 0.219 117 A C 2.248 179.786 177.584 -0.077 0.000 1.269 117 A CA 2.224 54.192 52.037 -0.115 0.000 0.671 117 A CB -1.402 17.556 19.000 -0.070 0.000 0.842 117 A HN 0.456 8.606 8.150 -0.000 0.000 0.460 118 L N -0.372 120.829 121.223 -0.037 0.000 2.010 118 L HA -0.279 4.056 4.340 -0.008 0.000 0.219 118 L C 2.573 179.438 176.870 -0.009 0.000 1.077 118 L CA 2.718 57.551 54.840 -0.012 0.000 0.773 118 L CB -0.952 41.114 42.059 0.013 0.000 0.892 118 L HN 0.545 8.775 8.230 -0.000 0.000 0.436 119 C N 0.152 119.450 119.300 -0.003 0.000 2.393 119 C HA -0.170 4.285 4.460 -0.008 0.000 0.276 119 C C 2.824 177.803 174.990 -0.019 0.000 1.215 119 C CA 0.919 59.946 59.018 0.015 0.000 1.743 119 C CB -1.985 25.786 27.740 0.052 0.000 2.044 119 C HN 0.840 9.070 8.230 -0.000 0.000 0.464 120 G N 0.085 108.840 108.800 -0.076 0.000 2.514 120 G HA2 -0.280 3.676 3.960 -0.008 0.000 0.217 120 G HA3 -0.280 3.676 3.960 -0.008 0.000 0.217 120 G C 1.996 176.872 174.900 -0.039 0.000 1.198 120 G CA 2.745 47.805 45.100 -0.067 0.000 0.780 120 G HN 0.560 8.850 8.290 -0.000 0.000 0.565 121 M N 0.549 120.126 119.600 -0.039 0.000 2.117 121 M HA 0.271 4.746 4.480 -0.008 0.000 0.262 121 M C 2.753 179.047 176.300 -0.010 0.000 1.065 121 M CA 1.800 57.084 55.300 -0.027 0.000 1.114 121 M CB -1.485 31.099 32.600 -0.027 0.000 1.361 121 M HN 0.264 8.554 8.290 -0.000 0.000 0.408 122 L N 0.150 121.373 121.223 -0.000 0.000 2.013 122 L HA -0.161 4.174 4.340 -0.008 0.000 0.212 122 L C 2.962 179.846 176.870 0.022 0.000 1.073 122 L CA 1.669 56.517 54.840 0.014 0.000 0.753 122 L CB -1.571 40.502 42.059 0.024 0.000 0.890 122 L HN 0.605 8.835 8.230 -0.000 0.000 0.432 123 G N 0.330 109.143 108.800 0.022 0.000 2.476 123 G HA2 -0.324 3.631 3.960 -0.008 0.000 0.218 123 G HA3 -0.324 3.631 3.960 -0.008 0.000 0.218 123 G C 1.600 176.510 174.900 0.017 0.000 1.164 123 G CA 0.995 46.112 45.100 0.028 0.000 0.768 123 G HN 0.243 8.533 8.290 -0.000 0.000 0.560 124 L N 1.331 122.552 121.223 -0.003 0.000 2.012 124 L HA 0.010 4.345 4.340 -0.008 0.000 0.210 124 L C 3.157 180.037 176.870 0.016 0.000 1.073 124 L CA 2.356 57.191 54.840 -0.008 0.000 0.748 124 L CB -0.629 41.415 42.059 -0.024 0.000 0.891 124 L HN 0.259 8.489 8.230 -0.000 0.000 0.431 125 A N -1.355 121.475 122.820 0.016 0.000 1.908 125 A HA -0.175 4.140 4.320 -0.008 0.000 0.218 125 A C 2.251 179.863 177.584 0.046 0.000 1.181 125 A CA 2.167 54.218 52.037 0.023 0.000 0.627 125 A CB -1.087 17.922 19.000 0.015 0.000 0.818 125 A HN 0.328 8.478 8.150 -0.000 0.000 0.445 126 V N -0.430 119.518 119.914 0.057 0.000 2.379 126 V HA -0.163 3.952 4.120 -0.008 0.000 0.245 126 V C 3.037 179.205 176.094 0.123 0.000 1.044 126 V CA 1.723 64.076 62.300 0.087 0.000 1.036 126 V CB -1.175 30.700 31.823 0.087 0.000 0.664 126 V HN 0.619 8.809 8.190 -0.000 0.000 0.453 127 A N 0.256 123.138 122.820 0.104 0.000 1.858 127 A HA -0.161 4.154 4.320 -0.008 0.000 0.216 127 A C 2.466 180.161 177.584 0.186 0.000 1.190 127 A CA 2.275 54.397 52.037 0.141 0.000 0.617 127 A CB -0.983 18.054 19.000 0.062 0.000 0.827 127 A HN 0.562 8.712 8.150 -0.000 0.000 0.443 128 A N -0.024 122.869 122.820 0.122 0.000 1.869 128 A HA -0.196 4.119 4.320 -0.008 0.000 0.218 128 A C 2.466 180.155 177.584 0.175 0.000 1.203 128 A CA 2.693 54.804 52.037 0.124 0.000 0.638 128 A CB -1.279 17.762 19.000 0.069 0.000 0.831 128 A HN 0.591 8.741 8.150 -0.000 0.000 0.450 129 S N 0.237 116.023 115.700 0.144 0.000 2.359 129 S HA -0.210 4.255 4.470 -0.008 0.000 0.223 129 S C 1.861 176.604 174.600 0.238 0.000 1.039 129 S CA 1.704 60.000 58.200 0.160 0.000 1.042 129 S CB -0.765 62.503 63.200 0.112 0.000 0.915 129 S HN 0.469 8.779 8.310 -0.000 0.000 0.439 130 L N 1.351 122.717 121.223 0.237 0.000 1.956 130 L HA -0.172 4.163 4.340 -0.008 0.000 0.216 130 L C 2.459 179.417 176.870 0.147 0.000 1.073 130 L CA 1.177 56.145 54.840 0.213 0.000 0.762 130 L CB -0.849 41.416 42.059 0.343 0.000 0.889 130 L HN 0.272 8.502 8.230 -0.000 0.000 0.433 131 I N -0.553 120.181 120.570 0.274 0.000 2.074 131 I HA -0.432 3.733 4.170 -0.008 0.000 0.238 131 I C 2.581 178.873 176.117 0.291 0.000 1.037 131 I CA 2.247 63.728 61.300 0.302 0.000 1.301 131 I CB -1.343 36.822 38.000 0.274 0.000 1.016 131 I HN 0.332 8.542 8.210 -0.000 0.000 0.400 132 Y N 1.798 122.192 120.300 0.156 0.000 2.165 132 Y HA -0.266 4.280 4.550 -0.008 0.000 0.286 132 Y C 2.645 178.636 175.900 0.152 0.000 1.155 132 Y CA 2.278 60.479 58.100 0.169 0.000 1.164 132 Y CB -0.254 38.276 38.460 0.116 0.000 0.978 132 Y HN 0.158 8.438 8.280 -0.000 0.000 0.513 133 A N 1.431 124.467 122.820 0.360 0.000 1.883 133 A HA -0.248 4.067 4.320 -0.008 0.000 0.217 133 A C 2.253 179.822 177.584 -0.024 0.000 1.186 133 A CA 2.227 54.385 52.037 0.201 0.000 0.624 133 A CB -0.716 18.404 19.000 0.200 0.000 0.822 133 A HN 0.679 8.829 8.150 -0.000 0.000 0.444 134 R N -2.513 117.937 120.500 -0.083 0.000 2.153 134 R HA 0.068 4.403 4.340 -0.008 0.000 0.218 134 R C 1.939 178.259 176.300 0.033 0.000 1.072 134 R CA 1.235 57.221 56.100 -0.189 0.000 0.990 134 R CB -0.550 29.412 30.300 -0.565 0.000 0.889 134 R HN 0.418 8.688 8.270 -0.000 0.000 0.452 135 F N 3.393 123.345 119.950 0.005 0.000 2.206 135 F HA -0.038 4.484 4.527 -0.008 0.000 0.298 135 F C 1.153 176.856 175.800 -0.163 0.000 1.090 135 F CA 1.333 59.352 58.000 0.031 0.000 1.323 135 F CB -0.020 38.988 39.000 0.014 0.000 1.028 135 F HN -0.038 8.262 8.300 -0.000 0.000 0.492 136 T N 0.376 114.754 114.554 -0.293 0.000 4.058 136 T HA 0.335 4.680 4.350 -0.008 0.000 0.252 136 T C -0.059 174.433 174.700 -0.347 0.000 1.264 136 T CA -0.459 61.383 62.100 -0.429 0.000 1.094 136 T CB -0.918 67.534 68.868 -0.694 0.000 1.316 136 T HN 0.122 8.362 8.240 -0.000 0.000 0.872 137 R N 1.804 122.086 120.500 -0.363 0.000 2.439 137 R HA 0.562 4.897 4.340 -0.008 0.000 0.310 137 R C -2.731 173.286 176.300 -0.472 0.000 0.955 137 R CA -1.628 54.265 56.100 -0.346 0.000 0.853 137 R CB 1.325 31.471 30.300 -0.257 0.000 1.171 137 R HN 0.308 8.578 8.270 -0.000 0.000 0.449 138 P HA 0.367 4.787 4.420 -0.000 0.000 0.284 138 P C -0.988 175.930 177.300 -0.638 0.000 1.287 138 P CA -0.678 61.740 63.100 -1.137 0.000 0.824 138 P CB 1.128 31.979 31.700 -1.416 0.000 1.180 139 T N -2.776 111.469 114.554 -0.514 0.000 2.937 139 T HA 0.687 5.032 4.350 -0.008 0.000 0.297 139 T C -0.300 174.421 174.700 0.035 0.000 0.991 139 T CA -0.899 61.099 62.100 -0.171 0.000 0.990 139 T CB 0.993 69.796 68.868 -0.107 0.000 0.991 139 T HN 0.477 8.717 8.240 -0.000 0.000 0.440 140 A N 2.111 125.016 122.820 0.142 0.000 2.580 140 A HA 0.477 4.793 4.320 -0.008 0.000 0.244 140 A C 1.464 179.166 177.584 0.197 0.000 1.045 140 A CA 0.124 52.345 52.037 0.307 0.000 0.761 140 A CB -0.423 18.794 19.000 0.361 0.000 0.962 140 A HN 1.369 9.519 8.150 -0.000 0.000 0.512 141 G N 2.244 111.183 108.800 0.231 0.000 3.318 141 G HA2 0.355 4.311 3.960 -0.008 0.000 0.230 141 G HA3 0.355 4.311 3.960 -0.008 0.000 0.230 141 G C 0.178 175.076 174.900 -0.004 0.000 1.317 141 G CA 0.026 45.188 45.100 0.104 0.000 1.197 141 G HN 0.638 8.928 8.290 -0.000 0.000 0.514 142 V N 0.760 120.651 119.914 -0.038 0.000 2.465 142 V HA 0.405 4.520 4.120 -0.008 0.000 0.279 142 V C -0.028 175.940 176.094 -0.210 0.000 1.045 142 V CA -0.872 61.295 62.300 -0.220 0.000 0.938 142 V CB 1.557 33.083 31.823 -0.495 0.000 0.986 142 V HN 0.240 8.430 8.190 -0.000 0.000 0.467 143 L N 5.602 126.644 121.223 -0.301 0.000 2.322 143 L HA 0.674 5.010 4.340 -0.008 0.000 0.281 143 L C -0.950 175.797 176.870 -0.206 0.000 1.014 143 L CA 0.109 54.846 54.840 -0.172 0.000 0.815 143 L CB 1.237 43.156 42.059 -0.233 0.000 1.247 143 L HN 0.436 8.666 8.230 -0.000 0.000 0.421 144 F N 2.497 122.452 119.950 0.007 0.000 2.420 144 F HA 0.446 4.968 4.527 -0.007 0.000 0.342 144 F C 0.802 176.726 175.800 0.206 0.000 1.113 144 F CA -0.519 57.475 58.000 -0.010 0.000 1.059 144 F CB 1.444 40.155 39.000 -0.481 0.000 1.128 144 F HN 0.601 8.901 8.300 -0.000 0.000 0.475 145 S N 0.568 116.433 115.700 0.276 0.000 2.575 145 S HA -0.034 4.431 4.470 -0.008 0.000 0.295 145 S C 1.196 176.065 174.600 0.449 0.000 1.267 145 S CA -0.134 58.096 58.200 0.050 0.000 1.074 145 S CB 0.651 63.625 63.200 -0.375 0.000 0.829 145 S HN 0.802 9.112 8.310 -0.000 0.000 0.497 146 S N 2.637 118.706 115.700 0.614 0.000 2.442 146 S HA -0.035 4.431 4.470 -0.008 0.000 0.236 146 S C 0.747 175.612 174.600 0.440 0.000 1.007 146 S CA 0.311 58.768 58.200 0.428 0.000 0.965 146 S CB -0.313 62.950 63.200 0.105 0.000 0.773 146 S HN 0.720 9.030 8.310 -0.000 0.000 0.504 147 R N 0.033 120.690 120.500 0.261 0.000 2.888 147 R HA 0.648 4.983 4.340 -0.008 0.000 0.266 147 R C -0.383 175.757 176.300 -0.266 0.000 1.020 147 R CA -0.650 55.434 56.100 -0.026 0.000 0.963 147 R CB 1.271 31.527 30.300 -0.073 0.000 1.197 147 R HN 0.313 8.583 8.270 -0.000 0.000 0.481 148 M N 0.624 119.904 119.600 -0.533 0.000 2.706 148 M HA 0.605 5.080 4.480 -0.008 0.000 0.304 148 M C 0.027 176.039 176.300 -0.479 0.000 1.217 148 M CA -1.244 53.759 55.300 -0.495 0.000 0.922 148 M CB 1.975 34.160 32.600 -0.691 0.000 1.637 148 M HN 0.393 8.683 8.290 -0.000 0.000 0.492 149 V N -0.497 119.138 119.914 -0.465 0.000 2.971 149 V HA 0.668 4.784 4.120 -0.008 0.000 0.309 149 V C -1.367 174.441 176.094 -0.478 0.000 1.130 149 V CA -0.759 61.228 62.300 -0.522 0.000 0.964 149 V CB 2.227 33.685 31.823 -0.608 0.000 1.029 149 V HN 0.829 9.019 8.190 -0.000 0.000 0.427 150 I N 4.552 124.795 120.570 -0.544 0.000 2.355 150 I HA 0.750 4.915 4.170 -0.008 0.000 0.288 150 I C 0.041 175.998 176.117 -0.266 0.000 0.999 150 I CA -0.063 60.964 61.300 -0.456 0.000 1.163 150 I CB 1.657 39.203 38.000 -0.756 0.000 1.316 150 I HN 1.064 9.274 8.210 -0.000 0.000 0.454 151 S N 3.419 119.020 115.700 -0.165 0.000 2.596 151 S HA 0.425 4.890 4.470 -0.008 0.000 0.270 151 S C -1.357 173.275 174.600 0.053 0.000 1.155 151 S CA -1.047 57.091 58.200 -0.104 0.000 0.827 151 S CB 2.050 65.063 63.200 -0.312 0.000 1.130 151 S HN 0.408 8.718 8.310 -0.000 0.000 0.467 152 D N 1.388 121.862 120.400 0.123 0.000 2.371 152 D HA 0.485 5.120 4.640 -0.008 0.000 0.256 152 D C -0.936 175.504 176.300 0.234 0.000 1.193 152 D CA 0.595 54.684 54.000 0.150 0.000 0.881 152 D CB 0.189 41.057 40.800 0.113 0.000 1.143 152 D HN 0.455 8.825 8.370 -0.000 0.000 0.473 153 F N 1.149 121.130 119.950 0.052 0.000 2.540 153 F HA 0.264 4.786 4.527 -0.008 0.000 0.317 153 F C 0.462 176.279 175.800 0.027 0.000 1.104 153 F CA -0.960 57.070 58.000 0.050 0.000 0.913 153 F CB 1.435 40.468 39.000 0.055 0.000 1.170 153 F HN 0.333 8.633 8.300 -0.000 0.000 0.450 154 E N 4.210 123.953 120.200 -0.761 0.000 2.238 154 E HA -0.199 4.146 4.350 -0.008 0.000 0.219 154 E C 0.951 177.450 176.600 -0.169 0.000 1.275 154 E CA 1.375 57.457 56.400 -0.530 0.000 0.714 154 E CB -1.179 28.123 29.700 -0.664 0.000 1.154 154 E HN 1.359 9.719 8.360 -0.000 0.000 0.363 155 G N -2.066 106.676 108.800 -0.098 0.000 2.148 155 G HA2 -0.263 3.692 3.960 -0.008 0.000 0.254 155 G HA3 -0.263 3.692 3.960 -0.008 0.000 0.254 155 G C 0.105 175.007 174.900 0.004 0.000 0.981 155 G CA 0.830 45.909 45.100 -0.035 0.000 0.670 155 G HN 0.883 9.173 8.290 -0.000 0.000 0.528 156 K N -0.302 120.118 120.400 0.033 0.000 2.501 156 K HA 0.846 5.161 4.320 -0.008 0.000 0.252 156 K C -3.137 173.505 176.600 0.070 0.000 0.934 156 K CA -1.234 55.079 56.287 0.043 0.000 0.797 156 K CB 1.677 34.188 32.500 0.018 0.000 1.270 156 K HN 0.073 8.323 8.250 -0.000 0.000 0.431 157 P HA 0.222 4.642 4.420 -0.000 0.000 0.265 157 P C -0.594 176.725 177.300 0.032 0.000 1.193 157 P CA 0.193 63.328 63.100 0.057 0.000 0.765 157 P CB 0.747 32.485 31.700 0.063 0.000 0.823 158 T N 3.704 118.271 114.554 0.023 0.000 2.841 158 T HA 0.354 4.700 4.350 -0.008 0.000 0.285 158 T C -0.417 174.237 174.700 -0.077 0.000 0.991 158 T CA -0.557 61.534 62.100 -0.016 0.000 0.966 158 T CB 0.787 69.669 68.868 0.023 0.000 0.962 158 T HN 0.145 8.385 8.240 -0.000 0.000 0.438 159 L N 5.744 126.919 121.223 -0.079 0.000 2.360 159 L HA 0.626 4.961 4.340 -0.008 0.000 0.276 159 L C -0.293 176.510 176.870 -0.110 0.000 1.121 159 L CA 0.422 55.166 54.840 -0.159 0.000 0.845 159 L CB -0.147 41.825 42.059 -0.144 0.000 1.143 159 L HN 0.705 8.935 8.230 -0.000 0.000 0.452 160 M N 4.756 124.275 119.600 -0.135 0.000 2.575 160 M HA 0.736 5.212 4.480 -0.008 0.000 0.284 160 M C -1.162 175.145 176.300 0.012 0.000 1.253 160 M CA -0.887 54.379 55.300 -0.057 0.000 0.861 160 M CB 2.342 34.934 32.600 -0.012 0.000 1.733 160 M HN 0.578 8.868 8.290 -0.000 0.000 0.462 161 M N 0.414 119.991 119.600 -0.039 0.000 2.843 161 M HA 0.852 5.327 4.480 -0.008 0.000 0.273 161 M C -1.461 174.632 176.300 -0.346 0.000 1.286 161 M CA -0.589 54.656 55.300 -0.092 0.000 0.807 161 M CB 2.008 34.581 32.600 -0.045 0.000 1.684 161 M HN 0.758 9.048 8.290 -0.000 0.000 0.458 162 R N 0.142 120.347 120.500 -0.492 0.000 2.668 162 R HA 0.893 5.228 4.340 -0.008 0.000 0.272 162 R C -1.986 174.263 176.300 -0.084 0.000 1.019 162 R CA -0.928 54.936 56.100 -0.394 0.000 0.894 162 R CB 1.274 31.228 30.300 -0.577 0.000 1.228 162 R HN 0.775 9.045 8.270 -0.000 0.000 0.460 163 L N 1.483 122.668 121.223 -0.064 0.000 2.325 163 L HA 0.813 5.148 4.340 -0.008 0.000 0.278 163 L C -0.271 176.644 176.870 0.076 0.000 1.023 163 L CA -0.962 53.802 54.840 -0.127 0.000 0.811 163 L CB 2.036 43.794 42.059 -0.502 0.000 1.249 163 L HN 0.884 9.114 8.230 -0.000 0.000 0.431 164 A N 1.881 124.545 122.820 -0.261 0.000 2.330 164 A HA 0.512 4.827 4.320 -0.008 0.000 0.313 164 A C -0.738 176.693 177.584 -0.255 0.000 1.124 164 A CA -0.623 51.196 52.037 -0.363 0.000 0.774 164 A CB 1.081 19.430 19.000 -1.086 0.000 1.198 164 A HN 0.665 8.815 8.150 -0.000 0.000 0.465 165 N N 2.351 120.889 118.700 -0.269 0.000 2.475 165 N HA 0.146 4.882 4.740 -0.008 0.000 0.267 165 N C 0.296 175.642 175.510 -0.274 0.000 1.169 165 N CA -0.136 52.693 53.050 -0.369 0.000 0.947 165 N CB 0.502 38.541 38.487 -0.746 0.000 1.061 165 N HN 0.607 8.987 8.380 -0.000 0.000 0.466 166 L N 2.257 123.373 121.223 -0.179 0.000 2.592 166 L HA 0.204 4.539 4.340 -0.008 0.000 0.227 166 L C 0.672 177.485 176.870 -0.095 0.000 1.127 166 L CA 0.269 55.024 54.840 -0.140 0.000 0.884 166 L CB 0.026 42.026 42.059 -0.099 0.000 1.065 166 L HN 0.406 8.636 8.230 -0.000 0.000 0.457 167 R N -1.174 119.278 120.500 -0.081 0.000 2.892 167 R HA 0.342 4.678 4.340 -0.008 0.000 0.265 167 R C 0.690 176.938 176.300 -0.088 0.000 1.025 167 R CA -0.840 55.228 56.100 -0.054 0.000 0.982 167 R CB 1.475 31.785 30.300 0.017 0.000 1.185 167 R HN -0.196 8.074 8.270 -0.000 0.000 0.484 168 I N 0.269 120.795 120.570 -0.074 0.000 2.394 168 I HA -0.097 4.068 4.170 -0.008 0.000 0.251 168 I C 0.324 176.387 176.117 -0.090 0.000 1.136 168 I CA 1.050 62.301 61.300 -0.082 0.000 1.425 168 I CB -0.558 37.403 38.000 -0.064 0.000 1.079 168 I HN 0.471 8.681 8.210 -0.000 0.000 0.425 169 E N 1.746 121.908 120.200 -0.063 0.000 2.408 169 E HA 0.166 4.511 4.350 -0.008 0.000 0.259 169 E C -0.049 176.444 176.600 -0.178 0.000 1.110 169 E CA 0.055 56.417 56.400 -0.063 0.000 0.929 169 E CB 0.194 29.920 29.700 0.043 0.000 0.971 169 E HN 0.308 8.668 8.360 -0.000 0.000 0.438 170 Q N 1.159 120.845 119.800 -0.189 0.000 2.215 170 Q HA 0.548 4.883 4.340 -0.008 0.000 0.256 170 Q C -0.283 175.562 176.000 -0.258 0.000 0.972 170 Q CA -0.668 55.001 55.803 -0.223 0.000 0.889 170 Q CB 1.688 30.353 28.738 -0.123 0.000 1.281 170 Q HN 0.441 8.711 8.270 -0.000 0.000 0.456 171 I N 2.653 123.129 120.570 -0.158 0.000 2.378 171 I HA 0.380 4.546 4.170 -0.008 0.000 0.291 171 I C -0.034 176.165 176.117 0.137 0.000 0.992 171 I CA -0.955 60.354 61.300 0.015 0.000 1.154 171 I CB 1.085 39.235 38.000 0.251 0.000 1.315 171 I HN 0.549 8.759 8.210 -0.000 0.000 0.448 172 I N 2.718 123.378 120.570 0.149 0.000 2.498 172 I HA 0.367 4.533 4.170 -0.008 0.000 0.301 172 I C 0.570 176.751 176.117 0.107 0.000 0.984 172 I CA -0.511 60.856 61.300 0.112 0.000 1.204 172 I CB 1.386 39.435 38.000 0.081 0.000 1.362 172 I HN 0.856 9.066 8.210 -0.000 0.000 0.471 173 E N 2.350 122.584 120.200 0.056 0.000 2.199 173 E HA -0.275 4.071 4.350 -0.008 0.000 0.208 173 E C -0.405 176.221 176.600 0.043 0.000 1.310 173 E CA 0.443 56.864 56.400 0.035 0.000 0.709 173 E CB -1.821 27.894 29.700 0.025 0.000 1.127 173 E HN 0.938 9.298 8.360 -0.000 0.000 0.354 174 A N 1.848 124.712 122.820 0.073 0.000 2.407 174 A HA 0.490 4.805 4.320 -0.008 0.000 0.248 174 A C 0.146 177.770 177.584 0.066 0.000 1.082 174 A CA 0.439 52.497 52.037 0.036 0.000 0.785 174 A CB 0.584 19.769 19.000 0.308 0.000 1.020 174 A HN 0.629 8.779 8.150 -0.000 0.000 0.489 175 D N -1.141 119.218 120.400 -0.067 0.000 2.609 175 D HA 0.520 5.156 4.640 -0.008 0.000 0.239 175 D C -1.345 174.905 176.300 -0.083 0.000 1.229 175 D CA -0.517 53.530 54.000 0.078 0.000 0.808 175 D CB 1.379 42.192 40.800 0.023 0.000 1.448 175 D HN 0.688 9.058 8.370 -0.000 0.000 0.433 176 V N 0.130 119.984 119.914 -0.101 0.000 2.925 176 V HA 0.504 4.619 4.120 -0.008 0.000 0.311 176 V C -1.634 174.337 176.094 -0.204 0.000 1.104 176 V CA -0.448 61.776 62.300 -0.127 0.000 0.954 176 V CB 2.091 33.743 31.823 -0.285 0.000 1.022 176 V HN 0.736 8.926 8.190 -0.000 0.000 0.427 177 H N 5.551 124.638 119.070 0.028 0.000 2.489 177 H HA 0.480 5.032 4.556 -0.007 0.000 0.343 177 H C -1.244 174.123 175.328 0.064 0.000 1.086 177 H CA -0.604 55.472 56.048 0.048 0.000 1.198 177 H CB 2.210 32.006 29.762 0.056 0.000 1.490 177 H HN 0.388 8.668 8.280 -0.000 0.000 0.504 178 L N 4.948 126.265 121.223 0.158 0.000 2.301 178 L HA 0.257 4.593 4.340 -0.008 0.000 0.278 178 L C -0.947 176.009 176.870 0.144 0.000 1.022 178 L CA -0.628 54.297 54.840 0.141 0.000 0.854 178 L CB 0.728 42.836 42.059 0.083 0.000 1.226 178 L HN 0.305 8.535 8.230 -0.000 0.000 0.429 179 V N 5.890 125.893 119.914 0.148 0.000 2.384 179 V HA 0.356 4.472 4.120 -0.008 0.000 0.287 179 V C -0.127 175.968 176.094 0.002 0.000 1.020 179 V CA -0.823 61.535 62.300 0.097 0.000 0.850 179 V CB 1.666 33.554 31.823 0.109 0.000 0.987 179 V HN 0.630 8.820 8.190 -0.000 0.000 0.436 180 L N 7.645 128.842 121.223 -0.044 0.000 2.319 180 L HA 0.596 4.931 4.340 -0.008 0.000 0.280 180 L C -0.395 176.293 176.870 -0.302 0.000 1.099 180 L CA 0.581 55.235 54.840 -0.310 0.000 0.828 180 L CB 1.211 43.134 42.059 -0.228 0.000 1.150 180 L HN 0.415 8.645 8.230 -0.000 0.000 0.442 181 V N 6.474 126.108 119.914 -0.466 0.000 2.448 181 V HA 0.757 4.873 4.120 -0.008 0.000 0.295 181 V C -0.127 175.783 176.094 -0.307 0.000 1.025 181 V CA -0.560 61.459 62.300 -0.467 0.000 0.859 181 V CB 1.333 32.727 31.823 -0.715 0.000 0.988 181 V HN 1.009 9.199 8.190 -0.000 0.000 0.431 182 R N 2.172 122.568 120.500 -0.173 0.000 2.716 182 R HA 0.683 5.018 4.340 -0.008 0.000 0.271 182 R C -1.127 175.119 176.300 -0.091 0.000 1.028 182 R CA -0.686 55.347 56.100 -0.111 0.000 0.883 182 R CB 1.580 31.818 30.300 -0.102 0.000 1.250 182 R HN 0.439 8.709 8.270 -0.000 0.000 0.465 183 S N 0.511 116.154 115.700 -0.094 0.000 2.584 183 S HA 0.346 4.811 4.470 -0.008 0.000 0.273 183 S C -0.669 173.803 174.600 -0.214 0.000 1.311 183 S CA -0.677 57.433 58.200 -0.151 0.000 1.034 183 S CB 0.881 64.019 63.200 -0.103 0.000 0.939 183 S HN 0.531 8.841 8.310 -0.000 0.000 0.513 184 E N 0.606 120.561 120.200 -0.408 0.000 2.449 184 E HA 0.466 4.812 4.350 -0.008 0.000 0.278 184 E C -1.351 174.987 176.600 -0.436 0.000 0.992 184 E CA -0.873 55.270 56.400 -0.429 0.000 0.807 184 E CB 1.175 30.569 29.700 -0.511 0.000 1.350 184 E HN 0.252 8.612 8.360 -0.000 0.000 0.462 185 I N 1.456 121.889 120.570 -0.227 0.000 2.406 185 I HA 0.216 4.381 4.170 -0.008 0.000 0.290 185 I C 0.383 176.517 176.117 0.029 0.000 0.999 185 I CA -0.433 60.818 61.300 -0.082 0.000 1.124 185 I CB 1.357 39.342 38.000 -0.025 0.000 1.289 185 I HN 0.405 8.615 8.210 -0.000 0.000 0.441 186 S N 4.266 120.077 115.700 0.185 0.000 2.614 186 S HA 0.145 4.610 4.470 -0.008 0.000 0.265 186 S C 1.195 175.873 174.600 0.130 0.000 1.303 186 S CA -0.016 58.337 58.200 0.254 0.000 1.000 186 S CB 0.892 64.285 63.200 0.321 0.000 0.935 186 S HN 0.612 8.922 8.310 -0.000 0.000 0.551 187 Q N 0.979 120.844 119.800 0.107 0.000 2.112 187 Q HA -0.181 4.155 4.340 -0.008 0.000 0.206 187 Q C 1.487 177.524 176.000 0.061 0.000 0.987 187 Q CA 2.011 57.856 55.803 0.071 0.000 0.858 187 Q CB -0.235 28.538 28.738 0.059 0.000 0.905 187 Q HN 0.719 8.989 8.270 -0.000 0.000 0.420 188 E N -0.493 119.747 120.200 0.066 0.000 2.472 188 E HA -0.006 4.340 4.350 -0.008 0.000 0.200 188 E C 0.820 177.456 176.600 0.059 0.000 1.046 188 E CA 0.701 57.133 56.400 0.053 0.000 0.871 188 E CB -0.113 29.613 29.700 0.044 0.000 0.806 188 E HN 0.510 8.870 8.360 -0.000 0.000 0.533 189 G N -0.835 108.011 108.800 0.076 0.000 2.160 189 G HA2 -0.302 3.653 3.960 -0.008 0.000 0.244 189 G HA3 -0.302 3.653 3.960 -0.008 0.000 0.244 189 G C 0.251 175.204 174.900 0.088 0.000 1.022 189 G CA 0.260 45.401 45.100 0.069 0.000 0.741 189 G HN 0.437 8.727 8.290 -0.000 0.000 0.508 190 M N -0.370 119.315 119.600 0.143 0.000 2.162 190 M HA 0.776 5.251 4.480 -0.008 0.000 0.356 190 M C 0.666 177.114 176.300 0.246 0.000 1.303 190 M CA -0.129 55.286 55.300 0.192 0.000 1.116 190 M CB 1.357 34.084 32.600 0.212 0.000 1.632 190 M HN 1.346 9.636 8.290 -0.000 0.000 0.469 191 V N 7.660 127.662 119.914 0.147 0.000 2.284 191 V HA 0.693 4.808 4.120 -0.008 0.000 0.260 191 V C -0.681 175.459 176.094 0.077 0.000 1.084 191 V CA -0.474 61.850 62.300 0.041 0.000 0.894 191 V CB -1.132 30.691 31.823 -0.000 0.000 1.119 191 V HN 0.991 9.181 8.190 -0.000 0.000 0.484 192 F N 5.074 125.033 119.950 0.015 0.000 2.594 192 F HA 0.789 5.312 4.527 -0.007 0.000 0.335 192 F C -0.039 175.777 175.800 0.028 0.000 1.058 192 F CA -1.456 56.554 58.000 0.017 0.000 0.981 192 F CB 1.012 40.023 39.000 0.018 0.000 1.289 192 F HN 0.039 8.339 8.300 -0.000 0.000 0.490 193 R N 2.208 122.860 120.500 0.253 0.000 2.221 193 R HA 0.391 4.726 4.340 -0.008 0.000 0.327 193 R C -0.765 175.784 176.300 0.416 0.000 1.033 193 R CA -0.490 55.719 56.100 0.182 0.000 0.887 193 R CB 1.332 31.725 30.300 0.155 0.000 1.057 193 R HN 0.812 9.082 8.270 -0.000 0.000 0.455 194 R N 2.916 123.594 120.500 0.296 0.000 2.637 194 R HA 0.411 4.746 4.340 -0.008 0.000 0.291 194 R C -0.826 175.653 176.300 0.299 0.000 0.963 194 R CA -0.514 55.827 56.100 0.402 0.000 0.901 194 R CB 1.115 31.642 30.300 0.379 0.000 1.160 194 R HN 0.392 8.662 8.270 -0.000 0.000 0.457 195 F N 2.452 122.361 119.950 -0.067 0.000 2.408 195 F HA 0.295 4.817 4.527 -0.008 0.000 0.344 195 F C 0.006 175.691 175.800 -0.192 0.000 1.112 195 F CA -0.753 57.202 58.000 -0.075 0.000 1.096 195 F CB 1.360 40.327 39.000 -0.056 0.000 1.129 195 F HN 0.485 8.785 8.300 -0.000 0.000 0.486 196 H N 1.338 120.479 119.070 0.118 0.000 2.638 196 H HA 0.141 4.693 4.556 -0.007 0.000 0.317 196 H C -0.705 174.669 175.328 0.076 0.000 1.006 196 H CA -0.760 55.343 56.048 0.091 0.000 1.222 196 H CB 0.897 30.689 29.762 0.050 0.000 1.419 196 H HN 0.433 8.713 8.280 -0.000 0.000 0.489 197 D N 3.357 123.869 120.400 0.188 0.000 2.390 197 D HA 0.075 4.710 4.640 -0.008 0.000 0.249 197 D C -0.427 175.957 176.300 0.140 0.000 1.144 197 D CA -0.061 54.039 54.000 0.166 0.000 0.880 197 D CB 0.861 41.768 40.800 0.178 0.000 1.182 197 D HN 0.469 8.839 8.370 -0.000 0.000 0.451 198 L N 3.335 124.599 121.223 0.069 0.000 2.272 198 L HA 0.224 4.559 4.340 -0.008 0.000 0.289 198 L C 0.712 177.669 176.870 0.145 0.000 1.032 198 L CA -0.790 54.017 54.840 -0.055 0.000 0.810 198 L CB 1.404 43.137 42.059 -0.543 0.000 1.205 198 L HN 0.224 8.454 8.230 -0.000 0.000 0.422 199 T N 4.692 119.421 114.554 0.293 0.000 2.822 199 T HA 0.160 4.505 4.350 -0.008 0.000 0.288 199 T C 0.201 175.081 174.700 0.300 0.000 0.991 199 T CA 0.105 62.360 62.100 0.258 0.000 1.176 199 T CB -0.054 68.941 68.868 0.212 0.000 0.951 199 T HN 0.281 8.521 8.240 -0.000 0.000 0.526 200 L N 3.394 124.718 121.223 0.170 0.000 2.322 200 L HA 0.324 4.659 4.340 -0.008 0.000 0.279 200 L C 2.214 179.145 176.870 0.101 0.000 1.036 200 L CA -0.874 54.044 54.840 0.131 0.000 0.807 200 L CB 1.352 43.457 42.059 0.077 0.000 1.226 200 L HN 0.821 9.051 8.230 -0.000 0.000 0.433 201 T N -0.340 114.262 114.554 0.080 0.000 2.849 201 T HA -0.173 4.173 4.350 -0.008 0.000 0.270 201 T C 0.885 175.646 174.700 0.101 0.000 1.066 201 T CA 0.978 63.124 62.100 0.077 0.000 1.130 201 T CB -0.003 68.900 68.868 0.059 0.000 0.864 201 T HN 0.583 8.823 8.240 -0.000 0.000 0.481 202 R N -0.196 120.390 120.500 0.144 0.000 2.531 202 R HA 0.445 4.780 4.340 -0.008 0.000 0.293 202 R C 0.235 176.731 176.300 0.327 0.000 1.124 202 R CA 0.071 56.297 56.100 0.210 0.000 0.945 202 R CB 1.473 31.914 30.300 0.234 0.000 1.195 202 R HN 0.122 8.392 8.270 -0.000 0.000 0.433 203 S N 2.724 118.561 115.700 0.229 0.000 2.514 203 S HA 0.295 4.761 4.470 -0.008 0.000 0.223 203 S C 0.336 175.096 174.600 0.267 0.000 1.046 203 S CA 0.009 58.318 58.200 0.181 0.000 0.914 203 S CB 0.380 63.599 63.200 0.032 0.000 0.807 203 S HN 0.431 8.741 8.310 -0.000 0.000 0.497 204 R N 1.762 122.377 120.500 0.192 0.000 2.532 204 R HA 0.513 4.848 4.340 -0.008 0.000 0.295 204 R C -1.236 175.010 176.300 -0.090 0.000 0.968 204 R CA -0.173 55.986 56.100 0.099 0.000 0.916 204 R CB 1.517 31.832 30.300 0.026 0.000 1.124 204 R HN 0.238 8.508 8.270 -0.000 0.000 0.463 205 S N 4.102 119.662 115.700 -0.232 0.000 2.652 205 S HA 0.370 4.835 4.470 -0.008 0.000 0.252 205 S C -2.077 172.420 174.600 -0.173 0.000 1.219 205 S CA -1.430 56.502 58.200 -0.448 0.000 1.151 205 S CB 1.260 63.807 63.200 -1.088 0.000 1.080 205 S HN 0.288 8.598 8.310 -0.000 0.000 0.481 206 P HA 0.103 4.523 4.420 -0.000 0.000 0.219 206 P C -0.141 177.148 177.300 -0.019 0.000 1.146 206 P CA 1.021 64.094 63.100 -0.045 0.000 0.808 206 P CB 0.100 31.773 31.700 -0.045 0.000 0.779 207 I N -1.452 119.095 120.570 -0.037 0.000 2.563 207 I HA 0.195 4.361 4.170 -0.008 0.000 0.276 207 I C -0.726 175.413 176.117 0.038 0.000 1.074 207 I CA -1.011 60.288 61.300 -0.002 0.000 1.124 207 I CB 0.943 38.925 38.000 -0.031 0.000 1.225 207 I HN -0.220 7.990 8.210 -0.000 0.000 0.482 208 F N 5.763 125.676 119.950 -0.062 0.000 2.411 208 F HA 0.404 4.926 4.527 -0.007 0.000 0.355 208 F C 0.948 176.733 175.800 -0.025 0.000 1.117 208 F CA -0.321 57.663 58.000 -0.026 0.000 1.139 208 F CB 1.132 40.219 39.000 0.145 0.000 1.120 208 F HN 0.444 8.744 8.300 -0.000 0.000 0.493 209 S N 4.226 119.655 115.700 -0.451 0.000 2.648 209 S HA 0.265 4.730 4.470 -0.008 0.000 0.270 209 S C 0.655 174.969 174.600 -0.476 0.000 1.082 209 S CA -0.049 57.879 58.200 -0.453 0.000 1.116 209 S CB 0.248 63.324 63.200 -0.207 0.000 1.040 209 S HN 0.572 8.882 8.310 -0.000 0.000 0.572 210 L N -0.020 120.981 121.223 -0.371 0.000 3.383 210 L HA 0.565 4.900 4.340 -0.008 0.000 0.169 210 L C 0.470 177.315 176.870 -0.042 0.000 1.161 210 L CA -0.042 54.701 54.840 -0.161 0.000 0.847 210 L CB -0.133 41.981 42.059 0.092 0.000 1.514 210 L HN 0.230 8.460 8.230 -0.000 0.000 0.582 211 S N -1.148 114.715 115.700 0.271 0.000 2.549 211 S HA 0.583 5.049 4.470 -0.008 0.000 0.280 211 S C -2.486 172.465 174.600 0.584 0.000 1.109 211 S CA -0.363 58.080 58.200 0.406 0.000 0.905 211 S CB 1.916 65.273 63.200 0.262 0.000 1.081 211 S HN 0.231 8.541 8.310 -0.000 0.000 0.477 212 W N 3.548 125.005 121.300 0.263 0.000 2.830 212 W HA 0.510 5.166 4.660 -0.007 0.000 0.335 212 W C -1.431 175.067 176.519 -0.034 0.000 1.043 212 W CA -0.754 56.636 57.345 0.075 0.000 1.239 212 W CB 1.129 30.504 29.460 -0.143 0.000 1.378 212 W HN 0.529 8.709 8.180 -0.000 0.000 0.456 213 T N 5.692 120.445 114.554 0.331 0.000 2.762 213 T HA 0.384 4.729 4.350 -0.008 0.000 0.303 213 T C -0.098 174.564 174.700 -0.063 0.000 0.977 213 T CA -0.300 61.797 62.100 -0.006 0.000 0.961 213 T CB 0.572 69.429 68.868 -0.019 0.000 0.944 213 T HN 0.166 8.406 8.240 -0.000 0.000 0.481 214 V N 5.281 125.009 119.914 -0.309 0.000 2.607 214 V HA 0.513 4.628 4.120 -0.008 0.000 0.289 214 V C 0.147 176.154 176.094 -0.145 0.000 1.053 214 V CA -0.587 61.526 62.300 -0.312 0.000 0.996 214 V CB 0.861 32.395 31.823 -0.481 0.000 0.995 214 V HN 0.843 9.033 8.190 -0.000 0.000 0.476 215 M N 3.715 123.267 119.600 -0.079 0.000 2.393 215 M HA 0.430 4.906 4.480 -0.008 0.000 0.299 215 M C -1.116 175.203 176.300 0.032 0.000 1.103 215 M CA -0.528 54.734 55.300 -0.063 0.000 0.910 215 M CB 2.250 34.751 32.600 -0.164 0.000 1.659 215 M HN 0.817 9.107 8.290 -0.000 0.000 0.445 216 H N 3.877 122.916 119.070 -0.051 0.000 2.725 216 H HA 0.467 5.019 4.556 -0.007 0.000 0.283 216 H C -2.675 172.655 175.328 0.003 0.000 1.110 216 H CA -1.719 54.325 56.048 -0.007 0.000 1.289 216 H CB 1.104 30.870 29.762 0.007 0.000 1.400 216 H HN 0.229 8.509 8.280 -0.000 0.000 0.493 217 P HA -0.027 4.393 4.420 -0.000 0.000 0.265 217 P C -0.268 176.741 177.300 -0.485 0.000 1.187 217 P CA 0.414 63.359 63.100 -0.257 0.000 0.766 217 P CB 1.281 32.900 31.700 -0.135 0.000 0.820 218 I N 3.307 123.749 120.570 -0.214 0.000 2.328 218 I HA 0.258 4.424 4.170 -0.008 0.000 0.287 218 I C 0.579 176.703 176.117 0.013 0.000 1.012 218 I CA -0.324 60.927 61.300 -0.080 0.000 1.195 218 I CB 1.147 39.193 38.000 0.077 0.000 1.350 218 I HN 0.404 8.614 8.210 -0.000 0.000 0.464 219 D N 3.434 123.791 120.400 -0.073 0.000 2.837 219 D HA 0.152 4.787 4.640 -0.008 0.000 0.294 219 D C 0.862 176.738 176.300 -0.707 0.000 1.158 219 D CA -0.559 53.240 54.000 -0.335 0.000 1.073 219 D CB 0.281 40.759 40.800 -0.536 0.000 1.419 219 D HN 0.506 8.876 8.370 -0.000 0.000 0.584 220 H N -1.425 117.122 119.070 -0.871 0.000 2.557 220 H HA -0.021 4.530 4.556 -0.008 0.000 0.287 220 H C 0.490 175.604 175.328 -0.357 0.000 1.043 220 H CA 1.107 56.549 56.048 -1.010 0.000 1.226 220 H CB -0.413 28.939 29.762 -0.684 0.000 1.361 220 H HN 0.501 8.781 8.280 -0.000 0.000 0.592 221 H N 0.214 119.199 119.070 -0.141 0.000 2.654 221 H HA 0.123 4.675 4.556 -0.007 0.000 0.264 221 H C 0.797 176.171 175.328 0.077 0.000 0.954 221 H CA -0.083 55.973 56.048 0.013 0.000 1.199 221 H CB 0.729 30.516 29.762 0.041 0.000 1.446 221 H HN 0.095 8.375 8.280 -0.000 0.000 0.516 222 S N 1.867 117.685 115.700 0.198 0.000 2.510 222 S HA 0.019 4.485 4.470 -0.008 0.000 0.279 222 S C -1.683 173.070 174.600 0.254 0.000 1.284 222 S CA -1.420 56.970 58.200 0.317 0.000 1.059 222 S CB 0.721 64.146 63.200 0.375 0.000 0.901 222 S HN 0.095 8.405 8.310 -0.000 0.000 0.491 223 P HA -0.005 4.415 4.420 -0.000 0.000 0.231 223 P C 0.618 177.945 177.300 0.045 0.000 1.158 223 P CA 0.806 63.886 63.100 -0.033 0.000 0.763 223 P CB -0.221 31.256 31.700 -0.372 0.000 0.805 224 I N -6.801 113.877 120.570 0.180 0.000 3.889 224 I HA 0.265 4.430 4.170 -0.008 0.000 0.332 224 I C 0.010 176.271 176.117 0.241 0.000 1.493 224 I CA -1.012 60.412 61.300 0.206 0.000 1.158 224 I CB -0.591 37.562 38.000 0.256 0.000 1.117 224 I HN -0.254 7.956 8.210 -0.000 0.000 0.411 225 Y N 3.152 123.524 120.300 0.119 0.000 2.511 225 Y HA 0.391 4.936 4.550 -0.008 0.000 0.332 225 Y C 1.483 177.441 175.900 0.096 0.000 1.177 225 Y CA 0.621 58.782 58.100 0.102 0.000 1.422 225 Y CB 0.619 39.136 38.460 0.094 0.000 1.271 225 Y HN 0.480 8.760 8.280 -0.000 0.000 0.550 226 G N 4.391 112.815 108.800 -0.627 0.000 2.395 226 G HA2 -0.319 3.636 3.960 -0.008 0.000 0.300 226 G HA3 -0.319 3.636 3.960 -0.008 0.000 0.300 226 G C -0.307 174.501 174.900 -0.152 0.000 0.998 226 G CA 0.568 45.376 45.100 -0.487 0.000 1.046 226 G HN 0.754 9.044 8.290 -0.000 0.000 0.513 227 E N 0.114 120.305 120.200 -0.015 0.000 2.187 227 E HA 0.653 4.999 4.350 -0.008 0.000 0.268 227 E C 0.952 177.599 176.600 0.079 0.000 0.896 227 E CA -0.007 56.432 56.400 0.065 0.000 0.766 227 E CB 1.074 30.868 29.700 0.157 0.000 1.142 227 E HN 0.382 8.742 8.360 -0.000 0.000 0.408 228 T N 0.569 115.086 114.554 -0.062 0.000 2.867 228 T HA 0.171 4.516 4.350 -0.008 0.000 0.286 228 T C 0.924 175.460 174.700 -0.275 0.000 1.022 228 T CA -0.437 61.478 62.100 -0.308 0.000 0.933 228 T CB 0.583 69.269 68.868 -0.303 0.000 1.280 228 T HN 0.417 8.657 8.240 -0.000 0.000 0.566 229 D N 0.431 120.486 120.400 -0.575 0.000 2.084 229 D HA -0.091 4.544 4.640 -0.008 0.000 0.196 229 D C 2.592 178.845 176.300 -0.078 0.000 0.985 229 D CA 2.002 55.854 54.000 -0.247 0.000 0.826 229 D CB -0.741 39.805 40.800 -0.423 0.000 0.978 229 D HN 0.819 9.189 8.370 -0.000 0.000 0.456 230 E N -0.024 120.095 120.200 -0.135 0.000 2.086 230 E HA -0.264 4.082 4.350 -0.008 0.000 0.200 230 E C 2.085 178.665 176.600 -0.033 0.000 1.012 230 E CA 2.839 59.194 56.400 -0.076 0.000 0.812 230 E CB -1.938 27.708 29.700 -0.089 0.000 0.743 230 E HN 0.631 8.991 8.360 -0.000 0.000 0.453 231 T N -0.818 113.719 114.554 -0.027 0.000 2.833 231 T HA -0.001 4.345 4.350 -0.008 0.000 0.269 231 T C 2.179 176.902 174.700 0.039 0.000 1.054 231 T CA 1.268 63.370 62.100 0.004 0.000 1.135 231 T CB -0.253 68.619 68.868 0.007 0.000 0.869 231 T HN 0.350 8.590 8.240 -0.000 0.000 0.466 232 L N 0.262 121.536 121.223 0.085 0.000 2.023 232 L HA 0.019 4.355 4.340 -0.008 0.000 0.205 232 L C 3.322 180.229 176.870 0.061 0.000 1.073 232 L CA 1.291 56.204 54.840 0.122 0.000 0.745 232 L CB -0.411 41.801 42.059 0.255 0.000 0.900 232 L HN 0.176 8.406 8.230 -0.000 0.000 0.435 233 R N -0.040 120.484 120.500 0.040 0.000 2.117 233 R HA -0.188 4.148 4.340 -0.008 0.000 0.243 233 R C 1.969 178.261 176.300 -0.015 0.000 1.143 233 R CA 1.556 57.647 56.100 -0.014 0.000 0.968 233 R CB -0.555 29.733 30.300 -0.020 0.000 0.863 233 R HN 0.407 8.677 8.270 -0.000 0.000 0.444 234 N N 0.325 119.027 118.700 0.003 0.000 2.223 234 N HA -0.093 4.642 4.740 -0.008 0.000 0.185 234 N C 1.331 176.854 175.510 0.021 0.000 1.016 234 N CA 1.579 54.633 53.050 0.008 0.000 0.863 234 N CB -0.061 38.426 38.487 0.000 0.000 0.983 234 N HN 0.214 8.594 8.380 -0.000 0.000 0.429 235 S N -0.614 115.099 115.700 0.021 0.000 2.605 235 S HA 0.018 4.483 4.470 -0.008 0.000 0.217 235 S C 0.293 174.936 174.600 0.072 0.000 0.958 235 S CA -0.323 57.888 58.200 0.017 0.000 0.919 235 S CB -0.360 62.833 63.200 -0.012 0.000 0.780 235 S HN 0.347 8.657 8.310 -0.000 0.000 0.507 236 H N 2.699 121.746 119.070 -0.039 0.000 2.604 236 H HA -0.167 4.386 4.556 -0.006 0.000 0.321 236 H C -0.462 174.820 175.328 -0.076 0.000 1.132 236 H CA 0.735 56.757 56.048 -0.043 0.000 1.129 236 H CB -1.690 28.046 29.762 -0.044 0.000 1.526 236 H HN 0.696 8.976 8.280 -0.000 0.000 0.415 237 S N 0.833 116.535 115.700 0.003 0.000 2.508 237 S HA 0.660 5.126 4.470 -0.008 0.000 0.284 237 S C 0.176 174.669 174.600 -0.178 0.000 1.192 237 S CA -0.833 57.298 58.200 -0.115 0.000 1.070 237 S CB 2.751 65.848 63.200 -0.173 0.000 1.004 237 S HN 0.468 8.778 8.310 -0.000 0.000 0.493 238 E N 0.777 120.796 120.200 -0.301 0.000 2.355 238 E HA 0.607 4.952 4.350 -0.008 0.000 0.261 238 E C -1.521 174.749 176.600 -0.550 0.000 0.943 238 E CA -0.858 55.405 56.400 -0.230 0.000 0.806 238 E CB 1.234 30.878 29.700 -0.094 0.000 1.286 238 E HN 0.605 8.965 8.360 -0.000 0.000 0.424 239 F N 1.160 121.117 119.950 0.010 0.000 2.507 239 F HA 0.339 4.862 4.527 -0.006 0.000 0.328 239 F C -0.795 175.018 175.800 0.021 0.000 1.136 239 F CA -0.903 57.117 58.000 0.034 0.000 0.930 239 F CB 1.221 40.282 39.000 0.102 0.000 1.166 239 F HN 0.142 8.442 8.300 -0.000 0.000 0.436 240 L N 4.791 126.075 121.223 0.102 0.000 2.296 240 L HA 0.751 5.086 4.340 -0.008 0.000 0.286 240 L C -1.032 175.896 176.870 0.097 0.000 1.023 240 L CA -0.770 54.084 54.840 0.023 0.000 0.812 240 L CB 1.492 43.526 42.059 -0.041 0.000 1.223 240 L HN 0.366 8.596 8.230 -0.000 0.000 0.421 241 V N 6.131 126.090 119.914 0.075 0.000 2.384 241 V HA 0.453 4.569 4.120 -0.008 0.000 0.287 241 V C -0.560 175.640 176.094 0.177 0.000 1.020 241 V CA -0.670 61.734 62.300 0.174 0.000 0.850 241 V CB 1.547 33.544 31.823 0.290 0.000 0.987 241 V HN 0.630 8.820 8.190 -0.000 0.000 0.436 242 L N 6.393 127.751 121.223 0.226 0.000 2.305 242 L HA 0.663 4.998 4.340 -0.008 0.000 0.284 242 L C -1.044 176.022 176.870 0.327 0.000 1.013 242 L CA -0.225 54.761 54.840 0.243 0.000 0.819 242 L CB 1.125 43.268 42.059 0.139 0.000 1.227 242 L HN 0.553 8.783 8.230 -0.000 0.000 0.417 243 F N 4.809 124.912 119.950 0.255 0.000 2.450 243 F HA 0.819 5.342 4.527 -0.008 0.000 0.332 243 F C -0.218 175.723 175.800 0.235 0.000 1.093 243 F CA 0.190 58.304 58.000 0.190 0.000 1.003 243 F CB 1.742 40.818 39.000 0.127 0.000 1.151 243 F HN 0.743 9.043 8.300 -0.000 0.000 0.474 244 T N 2.054 116.139 114.554 -0.782 0.000 2.894 244 T HA 0.889 5.234 4.350 -0.008 0.000 0.309 244 T C -0.731 173.576 174.700 -0.656 0.000 1.208 244 T CA -0.330 61.505 62.100 -0.441 0.000 1.016 244 T CB 1.363 70.214 68.868 -0.027 0.000 1.192 244 T HN 1.344 9.584 8.240 -0.000 0.000 0.491 245 G N 0.215 108.903 108.800 -0.186 0.000 2.451 245 G HA2 0.466 4.421 3.960 -0.008 0.000 0.292 245 G HA3 0.466 4.421 3.960 -0.008 0.000 0.292 245 G C -2.044 172.961 174.900 0.175 0.000 1.427 245 G CA -0.924 44.172 45.100 -0.006 0.000 0.792 245 G HN 1.176 9.466 8.290 -0.000 0.000 0.498 246 H N 0.262 119.399 119.070 0.113 0.000 2.640 246 H HA 0.499 5.051 4.556 -0.008 0.000 0.297 246 H C -0.304 175.126 175.328 0.170 0.000 1.073 246 H CA -0.519 55.614 56.048 0.142 0.000 1.305 246 H CB 0.479 30.300 29.762 0.097 0.000 1.404 246 H HN 0.445 8.725 8.280 -0.000 0.000 0.459 247 H N 4.597 123.609 119.070 -0.097 0.000 2.742 247 H HA 0.030 4.581 4.556 -0.008 0.000 0.302 247 H C 0.696 175.980 175.328 -0.073 0.000 1.069 247 H CA 0.335 56.391 56.048 0.014 0.000 1.446 247 H CB 0.733 30.590 29.762 0.159 0.000 1.462 247 H HN 0.916 9.196 8.280 -0.000 0.000 0.499 248 E N 3.361 123.652 120.200 0.151 0.000 2.110 248 E HA -0.165 4.180 4.350 -0.008 0.000 0.193 248 E C 2.009 178.644 176.600 0.060 0.000 0.988 248 E CA 1.079 57.558 56.400 0.131 0.000 0.804 248 E CB 0.233 29.970 29.700 0.061 0.000 0.745 248 E HN 0.766 9.126 8.360 -0.000 0.000 0.458 249 A N 0.775 123.635 122.820 0.067 0.000 1.884 249 A HA -0.211 4.104 4.320 -0.008 0.000 0.219 249 A C 1.784 179.063 177.584 -0.508 0.000 1.197 249 A CA 1.664 53.447 52.037 -0.424 0.000 0.637 249 A CB -0.811 17.553 19.000 -1.060 0.000 0.827 249 A HN 0.290 8.440 8.150 -0.000 0.000 0.450 250 F N -1.670 118.243 119.950 -0.061 0.000 2.749 250 F HA 0.477 5.000 4.527 -0.007 0.000 0.300 250 F C 1.494 177.263 175.800 -0.051 0.000 1.103 250 F CA 0.416 58.360 58.000 -0.093 0.000 1.342 250 F CB 0.076 38.978 39.000 -0.164 0.000 1.098 250 F HN 0.326 8.626 8.300 -0.000 0.000 0.586 251 A N 1.214 124.078 122.820 0.074 0.000 2.745 251 A HA -0.255 4.060 4.320 -0.008 0.000 0.296 251 A C 0.225 177.813 177.584 0.007 0.000 1.500 251 A CA 1.323 53.429 52.037 0.114 0.000 0.766 251 A CB -2.066 17.036 19.000 0.170 0.000 1.030 251 A HN 0.597 8.747 8.150 -0.000 0.000 0.489 252 Q N -0.577 119.041 119.800 -0.304 0.000 2.522 252 Q HA 0.367 4.703 4.340 -0.008 0.000 0.285 252 Q C -0.863 174.995 176.000 -0.236 0.000 0.982 252 Q CA -0.846 54.868 55.803 -0.148 0.000 0.805 252 Q CB 0.933 29.675 28.738 0.007 0.000 1.457 252 Q HN 0.616 8.886 8.270 -0.000 0.000 0.394 253 N N 0.549 119.227 118.700 -0.038 0.000 2.525 253 N HA 0.361 5.096 4.740 -0.008 0.000 0.271 253 N C -0.597 174.928 175.510 0.025 0.000 1.194 253 N CA 0.288 53.363 53.050 0.041 0.000 0.964 253 N CB 1.299 39.859 38.487 0.122 0.000 1.126 253 N HN 0.391 8.771 8.380 -0.000 0.000 0.452 254 V N -0.778 119.191 119.914 0.092 0.000 3.130 254 V HA 0.673 4.789 4.120 -0.008 0.000 0.310 254 V C -0.535 175.643 176.094 0.141 0.000 1.158 254 V CA -0.845 61.487 62.300 0.053 0.000 1.029 254 V CB 2.255 34.220 31.823 0.237 0.000 1.057 254 V HN 0.894 9.084 8.190 -0.000 0.000 0.436 255 H N 0.627 119.837 119.070 0.232 0.000 2.948 255 H HA 0.923 5.475 4.556 -0.007 0.000 0.315 255 H C -0.980 174.554 175.328 0.343 0.000 1.360 255 H CA -0.675 55.559 56.048 0.308 0.000 1.125 255 H CB 1.804 31.675 29.762 0.180 0.000 1.844 255 H HN 1.401 9.681 8.280 -0.000 0.000 0.529 256 A N 1.436 124.663 122.820 0.677 0.000 2.566 256 A HA 0.610 4.925 4.320 -0.008 0.000 0.297 256 A C -1.024 176.877 177.584 0.529 0.000 1.059 256 A CA -0.977 51.406 52.037 0.576 0.000 0.691 256 A CB 2.024 21.389 19.000 0.607 0.000 1.282 256 A HN 0.861 9.011 8.150 -0.000 0.000 0.401 257 R N 0.965 121.617 120.500 0.252 0.000 2.837 257 R HA 0.904 5.240 4.340 -0.008 0.000 0.271 257 R C -0.959 175.118 176.300 -0.372 0.000 0.993 257 R CA -0.842 55.264 56.100 0.011 0.000 0.931 257 R CB 1.657 31.961 30.300 0.006 0.000 1.206 257 R HN 0.815 9.085 8.270 -0.000 0.000 0.474 258 H N -0.413 118.259 119.070 -0.662 0.000 3.037 258 H HA 0.724 5.276 4.556 -0.007 0.000 0.355 258 H C -1.903 173.094 175.328 -0.552 0.000 1.263 258 H CA -0.189 55.352 56.048 -0.845 0.000 1.129 258 H CB 2.463 31.259 29.762 -1.610 0.000 1.861 258 H HN 0.956 9.236 8.280 -0.000 0.000 0.546 259 A N 2.510 124.714 122.820 -1.027 0.000 2.475 259 A HA 0.648 4.964 4.320 -0.008 0.000 0.301 259 A C -1.947 175.189 177.584 -0.745 0.000 1.059 259 A CA -0.515 51.147 52.037 -0.626 0.000 0.710 259 A CB 1.012 19.796 19.000 -0.359 0.000 1.288 259 A HN 0.553 8.703 8.150 -0.000 0.000 0.408 260 Y N 0.720 120.992 120.300 -0.047 0.000 2.499 260 Y HA 0.558 5.103 4.550 -0.008 0.000 0.347 260 Y C 0.870 176.825 175.900 0.091 0.000 0.987 260 Y CA -0.483 57.639 58.100 0.035 0.000 1.044 260 Y CB 2.517 41.041 38.460 0.106 0.000 1.245 260 Y HN 0.794 9.074 8.280 -0.000 0.000 0.461 261 S N -0.588 115.248 115.700 0.227 0.000 2.687 261 S HA 0.203 4.668 4.470 -0.008 0.000 0.283 261 S C 1.106 175.824 174.600 0.197 0.000 1.170 261 S CA -0.607 57.685 58.200 0.153 0.000 1.008 261 S CB 0.866 64.100 63.200 0.057 0.000 1.026 261 S HN 0.969 9.279 8.310 -0.000 0.000 0.541 262 C N 0.191 119.589 119.300 0.164 0.000 2.392 262 C HA -0.151 4.304 4.460 -0.008 0.000 0.276 262 C C 1.984 177.065 174.990 0.152 0.000 1.212 262 C CA 1.117 60.256 59.018 0.202 0.000 1.791 262 C CB -1.642 26.178 27.740 0.133 0.000 2.063 262 C HN 0.951 9.181 8.230 -0.000 0.000 0.481 263 D N 1.145 121.603 120.400 0.097 0.000 2.349 263 D HA -0.084 4.552 4.640 -0.008 0.000 0.224 263 D C 1.210 177.546 176.300 0.059 0.000 1.029 263 D CA 0.586 54.634 54.000 0.080 0.000 0.879 263 D CB -0.583 40.245 40.800 0.046 0.000 0.906 263 D HN 0.733 9.103 8.370 -0.000 0.000 0.528 264 E N 0.633 120.867 120.200 0.055 0.000 2.476 264 E HA 0.197 4.543 4.350 -0.008 0.000 0.196 264 E C 0.484 177.013 176.600 -0.120 0.000 1.029 264 E CA -0.199 56.215 56.400 0.022 0.000 0.896 264 E CB 0.796 30.582 29.700 0.143 0.000 1.012 264 E HN 0.400 8.760 8.360 -0.000 0.000 0.475 265 I N 2.262 122.744 120.570 -0.147 0.000 2.301 265 I HA 0.190 4.355 4.170 -0.008 0.000 0.292 265 I C 0.174 176.118 176.117 -0.289 0.000 1.046 265 I CA -0.443 60.643 61.300 -0.357 0.000 1.282 265 I CB 0.825 38.522 38.000 -0.505 0.000 1.409 265 I HN -0.103 8.107 8.210 -0.000 0.000 0.484 266 I N 6.392 126.763 120.570 -0.331 0.000 2.269 266 I HA 0.107 4.272 4.170 -0.008 0.000 0.293 266 I C -0.535 175.441 176.117 -0.234 0.000 1.106 266 I CA -0.358 60.819 61.300 -0.205 0.000 1.248 266 I CB 0.140 37.998 38.000 -0.237 0.000 1.444 266 I HN 0.490 8.700 8.210 -0.000 0.000 0.497 267 W N 5.653 126.854 121.300 -0.166 0.000 2.251 267 W HA 0.362 5.017 4.660 -0.009 0.000 0.327 267 W C 1.501 177.915 176.519 -0.176 0.000 1.361 267 W CA 0.890 58.141 57.345 -0.157 0.000 1.234 267 W CB 0.292 29.685 29.460 -0.112 0.000 1.212 267 W HN 0.765 8.945 8.180 -0.000 0.000 0.557 268 G N 1.660 110.446 108.800 -0.023 0.000 2.234 268 G HA2 -0.245 3.710 3.960 -0.008 0.000 0.260 268 G HA3 -0.245 3.710 3.960 -0.008 0.000 0.260 268 G C 0.678 175.359 174.900 -0.366 0.000 0.987 268 G CA -0.178 44.843 45.100 -0.132 0.000 0.625 268 G HN 1.014 9.304 8.290 -0.000 0.000 0.532 269 G N -0.651 107.935 108.800 -0.357 0.000 2.594 269 G HA2 0.509 4.464 3.960 -0.008 0.000 0.243 269 G HA3 0.509 4.464 3.960 -0.008 0.000 0.243 269 G C -0.532 173.977 174.900 -0.651 0.000 1.229 269 G CA 0.130 44.982 45.100 -0.414 0.000 0.843 269 G HN 0.685 8.975 8.290 -0.000 0.000 0.578 270 H N -0.906 118.046 119.070 -0.197 0.000 2.782 270 H HA 0.285 4.837 4.556 -0.007 0.000 0.347 270 H C -0.786 174.435 175.328 -0.178 0.000 1.038 270 H CA -0.623 55.339 56.048 -0.144 0.000 1.255 270 H CB 1.511 31.255 29.762 -0.030 0.000 1.623 270 H HN 0.400 8.680 8.280 -0.000 0.000 0.525 271 F N 2.141 122.113 119.950 0.036 0.000 2.578 271 F HA 0.016 4.538 4.527 -0.008 0.000 0.376 271 F C 0.797 176.604 175.800 0.011 0.000 1.085 271 F CA -0.050 57.931 58.000 -0.033 0.000 1.260 271 F CB 0.334 39.275 39.000 -0.098 0.000 1.095 271 F HN 0.239 8.539 8.300 -0.000 0.000 0.573 272 V N 2.630 122.649 119.914 0.176 0.000 3.432 272 V HA -0.098 4.017 4.120 -0.008 0.000 0.304 272 V C 0.142 176.303 176.094 0.112 0.000 1.107 272 V CA 0.018 62.388 62.300 0.116 0.000 1.153 272 V CB 0.920 32.789 31.823 0.077 0.000 1.072 272 V HN 0.613 8.803 8.190 -0.000 0.000 0.485 273 D N -0.170 120.282 120.400 0.086 0.000 2.193 273 D HA 0.396 5.031 4.640 -0.008 0.000 0.249 273 D C 0.320 176.629 176.300 0.015 0.000 1.034 273 D CA -0.218 53.831 54.000 0.083 0.000 0.902 273 D CB 1.876 42.750 40.800 0.124 0.000 1.182 273 D HN 0.258 8.628 8.370 -0.000 0.000 0.436 274 V N 0.137 119.992 119.914 -0.099 0.000 3.477 274 V HA 0.461 4.577 4.120 -0.008 0.000 0.297 274 V C 0.120 176.001 176.094 -0.354 0.000 1.433 274 V CA -0.366 61.795 62.300 -0.231 0.000 1.052 274 V CB -1.010 30.624 31.823 -0.315 0.000 0.895 274 V HN 0.246 8.436 8.190 -0.000 0.000 0.438 275 F N 1.127 121.103 119.950 0.042 0.000 2.415 275 F HA 0.742 5.264 4.527 -0.008 0.000 0.348 275 F C 0.677 176.490 175.800 0.023 0.000 1.119 275 F CA -0.264 57.752 58.000 0.028 0.000 1.069 275 F CB 1.955 40.971 39.000 0.027 0.000 1.124 275 F HN -0.090 8.210 8.300 -0.000 0.000 0.472 276 T N 0.991 115.665 114.554 0.200 0.000 2.916 276 T HA 0.485 4.830 4.350 -0.008 0.000 0.292 276 T C -0.663 174.092 174.700 0.092 0.000 1.064 276 T CA -0.839 61.327 62.100 0.109 0.000 1.011 276 T CB 1.840 70.747 68.868 0.065 0.000 1.152 276 T HN 0.374 8.614 8.240 -0.000 0.000 0.510 277 T N 2.412 117.003 114.554 0.061 0.000 2.770 277 T HA 0.529 4.874 4.350 -0.008 0.000 0.283 277 T C 0.364 175.083 174.700 0.032 0.000 0.988 277 T CA -0.646 61.479 62.100 0.043 0.000 0.957 277 T CB 0.421 69.308 68.868 0.032 0.000 0.930 277 T HN 0.311 8.551 8.240 -0.000 0.000 0.443 278 L N 4.661 125.900 121.223 0.027 0.000 2.474 278 L HA 0.185 4.520 4.340 -0.008 0.000 0.259 278 L C -0.533 176.346 176.870 0.015 0.000 1.232 278 L CA -1.737 53.115 54.840 0.020 0.000 0.821 278 L CB 0.288 42.357 42.059 0.016 0.000 1.108 278 L HN 0.417 8.647 8.230 -0.000 0.000 0.495 279 P HA -0.210 4.210 4.420 -0.000 0.000 0.216 279 P C 0.854 178.158 177.300 0.008 0.000 1.150 279 P CA 1.305 64.411 63.100 0.010 0.000 0.837 279 P CB 0.106 31.810 31.700 0.008 0.000 0.786 280 D N -0.298 120.107 120.400 0.007 0.000 2.263 280 D HA -0.078 4.558 4.640 -0.008 0.000 0.208 280 D C 1.472 177.775 176.300 0.005 0.000 0.971 280 D CA 1.586 55.589 54.000 0.005 0.000 0.867 280 D CB -0.784 40.019 40.800 0.005 0.000 0.929 280 D HN 0.261 8.631 8.370 -0.000 0.000 0.492 281 G N 0.284 109.089 108.800 0.008 0.000 2.141 281 G HA2 -0.288 3.668 3.960 -0.008 0.000 0.242 281 G HA3 -0.288 3.668 3.960 -0.008 0.000 0.242 281 G C 0.029 174.934 174.900 0.007 0.000 0.982 281 G CA 0.165 45.270 45.100 0.007 0.000 0.662 281 G HN 0.591 8.881 8.290 -0.000 0.000 0.527 282 R N 0.353 120.859 120.500 0.010 0.000 2.346 282 R HA 0.736 5.071 4.340 -0.008 0.000 0.311 282 R C 0.414 176.726 176.300 0.021 0.000 0.983 282 R CA -1.034 55.072 56.100 0.010 0.000 0.880 282 R CB 1.472 31.777 30.300 0.007 0.000 1.100 282 R HN 0.092 8.362 8.270 -0.000 0.000 0.453 283 R N 1.188 121.702 120.500 0.023 0.000 2.784 283 R HA 0.380 4.715 4.340 -0.008 0.000 0.266 283 R C -0.216 176.123 176.300 0.064 0.000 1.044 283 R CA 0.202 56.330 56.100 0.047 0.000 1.151 283 R CB 1.062 31.382 30.300 0.032 0.000 1.037 283 R HN 0.853 9.123 8.270 -0.000 0.000 0.478 284 A N 1.207 124.092 122.820 0.108 0.000 2.602 284 A HA 0.567 4.882 4.320 -0.008 0.000 0.290 284 A C -1.826 175.830 177.584 0.119 0.000 1.114 284 A CA -0.675 51.415 52.037 0.088 0.000 0.683 284 A CB 1.647 20.675 19.000 0.046 0.000 1.281 284 A HN 0.443 8.593 8.150 -0.000 0.000 0.416 285 L N 0.975 122.215 121.223 0.027 0.000 2.372 285 L HA 0.645 4.981 4.340 -0.008 0.000 0.274 285 L C -1.386 175.423 176.870 -0.102 0.000 0.988 285 L CA -0.138 54.647 54.840 -0.092 0.000 0.833 285 L CB 1.636 43.627 42.059 -0.113 0.000 1.236 285 L HN 0.655 8.885 8.230 -0.000 0.000 0.410 286 D N 4.714 125.044 120.400 -0.118 0.000 2.412 286 D HA 0.238 4.874 4.640 -0.008 0.000 0.224 286 D C 0.539 176.796 176.300 -0.073 0.000 1.093 286 D CA -0.084 53.875 54.000 -0.069 0.000 0.850 286 D CB 0.911 41.690 40.800 -0.035 0.000 1.046 286 D HN 0.655 9.025 8.370 -0.000 0.000 0.507 287 L N 2.965 124.150 121.223 -0.064 0.000 2.645 287 L HA 0.215 4.550 4.340 -0.008 0.000 0.235 287 L C 2.058 178.947 176.870 0.031 0.000 1.150 287 L CA -0.001 54.812 54.840 -0.046 0.000 0.911 287 L CB 0.193 42.190 42.059 -0.103 0.000 1.077 287 L HN 0.454 8.684 8.230 -0.000 0.000 0.438 288 G N 0.335 109.153 108.800 0.031 0.000 2.408 288 G HA2 -0.149 3.807 3.960 -0.008 0.000 0.215 288 G HA3 -0.149 3.807 3.960 -0.008 0.000 0.215 288 G C 1.606 176.560 174.900 0.090 0.000 1.156 288 G CA 0.040 45.178 45.100 0.064 0.000 0.793 288 G HN 0.324 8.614 8.290 -0.000 0.000 0.535 289 K N -0.267 120.171 120.400 0.063 0.000 2.365 289 K HA 0.095 4.411 4.320 -0.008 0.000 0.199 289 K C 1.933 178.582 176.600 0.081 0.000 1.045 289 K CA 0.115 56.440 56.287 0.063 0.000 0.962 289 K CB -0.187 32.330 32.500 0.029 0.000 0.759 289 K HN 0.258 8.508 8.250 -0.000 0.000 0.469 290 F N 2.054 121.946 119.950 -0.097 0.000 2.147 290 F HA -0.274 4.249 4.527 -0.008 0.000 0.301 290 F C 1.876 177.567 175.800 -0.181 0.000 1.084 290 F CA 1.734 59.608 58.000 -0.209 0.000 1.268 290 F CB -0.022 38.772 39.000 -0.344 0.000 1.009 290 F HN 0.182 8.482 8.300 -0.000 0.000 0.486 291 H N -0.412 118.688 119.070 0.048 0.000 2.539 291 H HA 0.218 4.769 4.556 -0.008 0.000 0.269 291 H C 0.043 175.400 175.328 0.050 0.000 0.980 291 H CA 0.050 56.109 56.048 0.019 0.000 1.152 291 H CB -0.218 29.602 29.762 0.097 0.000 1.407 291 H HN 0.351 8.631 8.280 -0.000 0.000 0.564 292 E N 1.383 121.665 120.200 0.137 0.000 2.229 292 E HA 0.282 4.628 4.350 -0.008 0.000 0.283 292 E C -0.242 176.391 176.600 0.055 0.000 1.030 292 E CA -0.228 56.226 56.400 0.090 0.000 0.836 292 E CB 1.359 31.104 29.700 0.075 0.000 1.068 292 E HN 0.204 8.564 8.360 -0.000 0.000 0.401 293 I N 3.028 123.578 120.570 -0.034 0.000 2.382 293 I HA 0.310 4.475 4.170 -0.008 0.000 0.285 293 I C 0.256 176.323 176.117 -0.084 0.000 1.007 293 I CA -0.826 60.380 61.300 -0.157 0.000 1.142 293 I CB 1.528 39.324 38.000 -0.340 0.000 1.289 293 I HN 0.497 8.707 8.210 -0.000 0.000 0.453 294 A N 5.831 128.633 122.820 -0.031 0.000 2.466 294 A HA 0.429 4.745 4.320 -0.008 0.000 0.238 294 A C -0.175 177.411 177.584 0.003 0.000 1.074 294 A CA 0.387 52.434 52.037 0.016 0.000 0.774 294 A CB 0.932 19.974 19.000 0.070 0.000 1.015 294 A HN 0.811 8.961 8.150 -0.000 0.000 0.498 295 Q N 0.000 119.811 119.800 0.018 0.000 2.315 295 Q HA 0.000 4.335 4.340 -0.008 0.000 0.214 295 Q CA 0.000 55.806 55.803 0.005 0.000 1.022 295 Q CB 0.000 28.722 28.738 -0.027 0.000 1.108 295 Q HN 0.000 8.270 8.270 -0.000 0.000 0.481