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 3n9s_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLVKGNEILL KAHKEGYGVG AFNFVNFEML NAIFEAGNEE NSPLFIQASE DATA SEQUENCE GAIKYMGIDM AVGMVKIMCE RYPHIPVALH LDHGTTFESC EKAVKAGFTS DATA SEQUENCE VMIDASHHAF EENLELTSKV VKMAHNAGVS VEAELGRLMX XXXXXXXXXX DATA SEQUENCE XAVLVNPKEA EQFVKESQVD YLAPAIGTSH GAFKFKGEPK LDFERLQEVK DATA SEQUENCE RLTNIPLVLH GASAIPDNVR KSYLDAGGDL KGSKGVPFEF LQESVKGGIN DATA SEQUENCE KVNTDTDLRI AFIAEVRKVA NEDKSQFDLR KFFSPAQLAL KNVVKERMKL DATA SEQUENCE LGSANKI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.509 4.480 0.049 0.000 0.227 1 M C 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.320 55.300 0.033 0.000 0.988 1 M CB 0.000 32.618 32.600 0.030 0.000 1.302 2 L N 2.933 124.164 121.223 0.013 0.000 2.433 2 L HA 0.319 4.839 4.340 -0.024 -0.194 0.275 2 L C -0.628 176.232 176.870 -0.016 0.000 1.128 2 L CA 0.480 55.314 54.840 -0.010 0.000 0.875 2 L CB -0.140 41.913 42.059 -0.010 0.000 1.171 2 L HN 0.048 8.289 8.230 0.019 0.000 0.463 3 V N 1.401 121.293 119.914 -0.037 0.000 3.040 3 V HA 0.523 4.641 4.120 -0.004 0.000 0.312 3 V C -1.661 174.417 176.094 -0.027 0.000 1.115 3 V CA -3.208 59.080 62.300 -0.020 0.000 0.998 3 V CB 3.875 35.693 31.823 -0.009 0.000 1.042 3 V HN 0.755 8.906 8.190 -0.065 0.000 0.433 4 K N 0.546 120.955 120.400 0.014 0.000 2.485 4 K HA -0.128 4.369 4.320 0.054 -0.144 0.277 4 K C 1.419 178.066 176.600 0.079 0.000 0.990 4 K CA 0.479 56.797 56.287 0.052 0.000 0.994 4 K CB -0.472 32.067 32.500 0.066 0.000 0.906 4 K HN 0.340 8.603 8.250 0.021 0.000 0.488 5 G N 2.265 111.165 108.800 0.166 0.000 2.462 5 G HA2 -0.376 3.599 3.960 0.024 0.000 0.220 5 G HA3 -0.376 3.947 3.960 0.604 0.000 0.220 5 G C 0.865 176.015 174.900 0.416 0.000 1.121 5 G CA 2.036 47.331 45.100 0.325 0.000 0.758 5 G HN 0.385 8.796 8.290 0.202 0.000 0.559 6 N N 0.874 119.788 118.700 0.356 0.000 2.270 6 N HA -0.174 4.789 4.740 0.371 0.000 0.181 6 N C 1.778 177.382 175.510 0.155 0.000 1.016 6 N CA 2.384 55.610 53.050 0.293 0.000 0.870 6 N CB -0.066 38.552 38.487 0.217 0.000 0.979 6 N HN -0.376 8.150 8.380 0.301 0.035 0.431 7 E N -0.117 120.155 120.200 0.119 0.000 2.097 7 E HA -0.323 4.070 4.350 0.072 0.000 0.196 7 E C 2.471 179.123 176.600 0.086 0.000 1.000 7 E CA 3.084 59.533 56.400 0.082 0.000 0.804 7 E CB -0.039 29.696 29.700 0.059 0.000 0.740 7 E HN -0.584 7.847 8.360 0.118 0.000 0.454 8 I N -1.403 119.236 120.570 0.115 0.000 2.277 8 I HA -0.379 3.856 4.170 0.108 0.000 0.243 8 I C 1.575 177.727 176.117 0.059 0.000 1.094 8 I CA 3.498 64.874 61.300 0.128 0.000 1.393 8 I CB 0.408 38.538 38.000 0.218 0.000 1.078 8 I HN -0.898 7.385 8.210 0.138 0.010 0.417 9 L N -1.130 120.105 121.223 0.020 0.000 2.156 9 L HA -0.294 3.914 4.340 -0.219 0.000 0.208 9 L C 2.446 179.266 176.870 -0.082 0.000 1.095 9 L CA 2.696 57.442 54.840 -0.156 0.000 0.770 9 L CB -0.565 41.257 42.059 -0.395 0.000 0.914 9 L HN -0.544 7.736 8.230 0.083 0.000 0.439 10 L N -1.784 119.443 121.223 0.007 0.000 2.093 10 L HA -0.451 3.940 4.340 0.084 0.000 0.208 10 L C 2.078 178.980 176.870 0.054 0.000 1.085 10 L CA 3.670 58.547 54.840 0.061 0.000 0.755 10 L CB -0.685 41.418 42.059 0.073 0.000 0.904 10 L HN -0.092 8.159 8.230 0.035 0.000 0.435 11 K N -0.460 119.949 120.400 0.015 0.000 2.026 11 K HA -0.416 3.928 4.320 0.039 0.000 0.208 11 K C 1.752 178.253 176.600 -0.164 0.000 1.048 11 K CA 3.328 59.622 56.287 0.012 0.000 0.929 11 K CB -0.346 32.210 32.500 0.093 0.000 0.713 11 K HN -0.420 7.845 8.250 0.025 0.000 0.439 12 A N -2.456 120.103 122.820 -0.436 0.000 1.908 12 A HA -0.296 2.640 4.320 -2.306 0.000 0.218 12 A C 2.198 179.461 177.584 -0.534 0.000 1.181 12 A CA 3.019 54.390 52.037 -1.111 0.000 0.627 12 A CB -0.992 17.471 19.000 -0.894 0.000 0.818 12 A HN -0.481 7.487 8.150 -0.302 0.000 0.445 13 H N 0.060 118.936 119.070 -0.322 0.000 2.293 13 H HA -0.275 4.287 4.556 -0.178 -0.113 0.300 13 H C 2.919 178.176 175.328 -0.118 0.000 1.082 13 H CA 3.327 59.268 56.048 -0.179 0.000 1.308 13 H CB -0.062 29.636 29.762 -0.107 0.000 1.375 13 H HN 0.039 8.269 8.280 -0.082 0.000 0.495 14 K N -0.871 119.410 120.400 -0.198 0.000 2.097 14 K HA -0.214 3.920 4.320 -0.310 0.000 0.206 14 K C 1.897 178.422 176.600 -0.124 0.000 1.049 14 K CA 2.643 58.815 56.287 -0.192 0.000 0.933 14 K CB 0.306 32.780 32.500 -0.043 0.000 0.717 14 K HN -0.226 7.994 8.250 -0.050 0.000 0.442 15 E N -4.366 115.795 120.200 -0.065 0.000 2.474 15 E HA 0.081 4.454 4.350 0.039 0.000 0.195 15 E C -0.064 176.581 176.600 0.075 0.000 1.039 15 E CA -0.516 55.921 56.400 0.061 0.000 0.881 15 E CB 0.430 30.285 29.700 0.257 0.000 0.970 15 E HN -0.467 7.833 8.360 -0.100 0.000 0.486 16 G N -0.260 108.501 108.800 -0.064 0.000 2.314 16 G HA2 -0.317 3.584 3.960 -0.098 0.000 0.292 16 G HA3 -0.317 3.631 3.960 -0.021 0.000 0.292 16 G C -0.960 173.975 174.900 0.058 0.000 1.059 16 G CA 0.810 45.885 45.100 -0.043 0.000 0.982 16 G HN -0.305 7.841 8.290 -0.154 0.051 0.505 17 Y N -4.912 115.370 120.300 -0.030 0.000 2.662 17 Y HA 0.391 4.924 4.550 -0.027 0.000 0.335 17 Y C -1.868 174.010 175.900 -0.036 0.000 1.066 17 Y CA -3.037 55.046 58.100 -0.028 0.000 1.116 17 Y CB 1.445 39.890 38.460 -0.025 0.000 1.308 17 Y HN -0.716 7.338 8.280 -0.376 0.000 0.502 18 G N -2.033 106.857 108.800 0.150 0.000 2.416 18 G HA2 0.426 4.461 3.960 -0.084 0.000 0.329 18 G HA3 0.426 4.394 3.960 0.012 0.000 0.329 18 G C -2.702 172.249 174.900 0.084 0.000 1.173 18 G CA -1.512 43.599 45.100 0.019 0.000 0.929 18 G HN 0.133 8.561 8.290 0.231 0.000 0.475 19 V N 2.176 122.058 119.914 -0.053 0.000 2.384 19 V HA 0.216 4.382 4.120 0.076 0.000 0.287 19 V C -0.353 175.631 176.094 -0.183 0.000 1.020 19 V CA -1.585 60.696 62.300 -0.031 0.000 0.850 19 V CB 2.622 34.425 31.823 -0.033 0.000 0.987 19 V HN 0.143 8.125 8.190 -0.156 0.114 0.436 20 G N 6.015 114.713 108.800 -0.169 0.000 2.380 20 G HA2 -0.019 3.751 3.960 -0.560 0.000 0.242 20 G HA3 -0.019 3.522 3.960 -0.699 0.000 0.242 20 G C -2.031 172.377 174.900 -0.821 0.000 1.298 20 G CA -0.192 44.550 45.100 -0.597 0.000 0.878 20 G HN 0.479 8.754 8.290 -0.024 0.000 0.542 21 A N 4.809 127.094 122.820 -0.892 0.000 2.285 21 A HA 0.831 5.192 4.320 -0.269 -0.203 0.310 21 A C -2.130 175.123 177.584 -0.551 0.000 1.266 21 A CA -1.855 49.872 52.037 -0.516 0.000 0.832 21 A CB 2.303 21.088 19.000 -0.358 0.000 1.163 21 A HN -0.007 7.545 8.150 -0.827 0.102 0.499 22 F N 2.797 122.792 119.950 0.075 0.000 2.444 22 F HA 0.767 5.551 4.527 0.053 -0.226 0.342 22 F C -0.157 175.729 175.800 0.143 0.000 1.121 22 F CA -2.264 55.779 58.000 0.071 0.000 0.997 22 F CB 2.666 41.687 39.000 0.035 0.000 1.130 22 F HN 0.424 8.779 8.300 0.092 0.000 0.454 23 N N 2.993 121.862 118.700 0.282 0.000 2.530 23 N HA 0.699 5.881 4.740 0.294 -0.266 0.277 23 N C -0.472 175.216 175.510 0.298 0.000 1.168 23 N CA 0.511 53.709 53.050 0.247 0.000 0.979 23 N CB 1.738 40.290 38.487 0.109 0.000 1.141 23 N HN -0.169 8.354 8.380 0.239 0.000 0.459 24 F N -2.054 117.935 119.950 0.066 0.000 2.603 24 F HA 0.504 5.011 4.527 -0.033 0.000 0.317 24 F C -1.580 174.226 175.800 0.010 0.000 1.066 24 F CA -2.070 55.939 58.000 0.015 0.000 0.941 24 F CB 3.300 42.324 39.000 0.040 0.000 1.291 24 F HN -0.183 8.286 8.300 0.283 0.000 0.472 25 V N -7.053 112.797 119.914 -0.107 0.000 3.382 25 V HA 0.174 4.116 4.120 -0.296 0.000 0.296 25 V C -2.022 174.127 176.094 0.091 0.000 1.529 25 V CA -0.349 61.847 62.300 -0.173 0.000 1.048 25 V CB 1.417 33.067 31.823 -0.289 0.000 0.878 25 V HN -0.285 7.912 8.190 0.012 0.000 0.442 26 N N -4.498 114.330 118.700 0.214 0.000 3.387 26 N HA -0.042 4.886 4.740 0.314 0.000 0.294 26 N C -1.303 174.379 175.510 0.286 0.000 1.519 26 N CA -0.995 52.217 53.050 0.270 0.000 0.875 26 N CB 0.820 39.417 38.487 0.184 0.000 1.657 26 N HN -1.171 7.370 8.380 0.268 0.000 0.527 27 F N 0.280 120.299 119.950 0.115 0.000 2.146 27 F HA -0.160 4.412 4.527 0.076 0.000 0.298 27 F C 1.090 176.929 175.800 0.066 0.000 1.096 27 F CA 3.778 61.825 58.000 0.078 0.000 1.275 27 F CB 0.343 39.378 39.000 0.058 0.000 1.008 27 F HN 0.342 8.862 8.300 0.366 0.000 0.480 28 E N -1.037 119.062 120.200 -0.169 0.000 2.077 28 E HA -0.357 3.752 4.350 -0.403 0.000 0.193 28 E C 2.615 179.109 176.600 -0.178 0.000 0.989 28 E CA 3.985 60.260 56.400 -0.207 0.000 0.800 28 E CB -0.627 29.142 29.700 0.114 0.000 0.746 28 E HN 0.216 8.668 8.360 0.051 -0.061 0.452 29 M N -1.207 118.289 119.600 -0.172 0.000 2.132 29 M HA -0.346 4.066 4.480 -0.115 0.000 0.263 29 M C 2.271 178.526 176.300 -0.075 0.000 1.065 29 M CA 4.064 59.290 55.300 -0.123 0.000 1.122 29 M CB 0.125 32.662 32.600 -0.104 0.000 1.365 29 M HN -0.646 7.788 8.290 -0.181 -0.253 0.411 30 L N -0.828 120.337 121.223 -0.097 0.000 2.056 30 L HA -0.386 3.876 4.340 -0.130 0.000 0.207 30 L C 1.524 178.319 176.870 -0.125 0.000 1.078 30 L CA 3.445 58.188 54.840 -0.161 0.000 0.749 30 L CB -0.270 41.600 42.059 -0.314 0.000 0.901 30 L HN -0.517 7.670 8.230 -0.072 0.000 0.433 31 N N -1.045 117.446 118.700 -0.349 0.000 2.142 31 N HA -0.357 4.282 4.740 -0.168 0.000 0.186 31 N C 1.647 177.096 175.510 -0.102 0.000 1.023 31 N CA 3.090 55.963 53.050 -0.295 0.000 0.852 31 N CB -0.076 38.006 38.487 -0.676 0.000 0.998 31 N HN -0.010 8.042 8.380 -0.545 0.000 0.424 32 A N -0.632 122.122 122.820 -0.111 0.000 1.930 32 A HA -0.184 4.108 4.320 -0.046 0.000 0.217 32 A C 2.117 179.642 177.584 -0.098 0.000 1.175 32 A CA 2.761 54.761 52.037 -0.061 0.000 0.627 32 A CB -0.391 18.603 19.000 -0.011 0.000 0.815 32 A HN -0.626 7.438 8.150 -0.143 0.000 0.443 33 I N -1.191 119.314 120.570 -0.107 0.000 2.179 33 I HA -0.575 3.406 4.170 -0.314 0.000 0.242 33 I C 1.684 177.678 176.117 -0.205 0.000 1.088 33 I CA 4.417 65.596 61.300 -0.201 0.000 1.357 33 I CB -0.077 37.836 38.000 -0.145 0.000 1.051 33 I HN -0.571 7.591 8.210 -0.079 0.000 0.409 34 F N -0.739 119.071 119.950 -0.233 0.000 2.171 34 F HA -0.465 3.889 4.527 -0.288 0.000 0.300 34 F C 2.242 177.763 175.800 -0.464 0.000 1.090 34 F CA 4.624 62.441 58.000 -0.305 0.000 1.293 34 F CB -0.108 38.772 39.000 -0.200 0.000 1.013 34 F HN -0.551 7.871 8.300 0.204 0.000 0.486 35 E N -1.430 118.677 120.200 -0.155 0.000 2.150 35 E HA -0.479 3.683 4.350 -0.315 0.000 0.193 35 E C 1.798 178.287 176.600 -0.185 0.000 0.985 35 E CA 2.779 59.063 56.400 -0.192 0.000 0.814 35 E CB -0.278 29.395 29.700 -0.046 0.000 0.752 35 E HN -0.236 8.091 8.360 -0.056 0.000 0.466 36 A N 0.019 122.728 122.820 -0.184 0.000 1.877 36 A HA -0.349 3.885 4.320 -0.144 0.000 0.216 36 A C 1.693 179.163 177.584 -0.190 0.000 1.186 36 A CA 3.130 55.057 52.037 -0.184 0.000 0.620 36 A CB -0.792 18.062 19.000 -0.243 0.000 0.822 36 A HN -0.294 7.746 8.150 -0.183 0.000 0.443 37 G N -2.132 106.518 108.800 -0.250 0.000 2.440 37 G HA2 -0.451 3.402 3.960 -0.178 0.000 0.218 37 G HA3 -0.451 3.324 3.960 -0.307 0.000 0.218 37 G C 1.387 176.167 174.900 -0.200 0.000 1.154 37 G CA 1.972 46.928 45.100 -0.239 0.000 0.767 37 G HN -0.194 7.921 8.290 -0.292 0.000 0.552 38 N N 1.184 119.727 118.700 -0.261 0.000 2.188 38 N HA -0.193 4.528 4.740 -0.032 0.000 0.184 38 N C 1.966 177.463 175.510 -0.022 0.000 1.018 38 N CA 2.351 55.319 53.050 -0.136 0.000 0.858 38 N CB 0.326 38.639 38.487 -0.291 0.000 0.989 38 N HN -0.386 7.785 8.380 -0.349 0.000 0.426 39 E N -2.652 117.510 120.200 -0.063 0.000 2.299 39 E HA -0.062 4.284 4.350 -0.007 0.000 0.193 39 E C 0.815 177.394 176.600 -0.034 0.000 0.998 39 E CA 1.975 58.356 56.400 -0.032 0.000 0.851 39 E CB 0.520 30.197 29.700 -0.038 0.000 0.795 39 E HN -0.591 7.707 8.360 -0.103 0.000 0.492 40 E N -3.842 116.326 120.200 -0.052 0.000 2.501 40 E HA 0.188 4.512 4.350 -0.043 0.000 0.201 40 E C -1.004 175.571 176.600 -0.042 0.000 1.016 40 E CA -1.690 54.681 56.400 -0.049 0.000 0.920 40 E CB 0.689 30.352 29.700 -0.061 0.000 1.023 40 E HN -0.511 7.807 8.360 -0.070 0.000 0.474 41 N N -2.596 116.091 118.700 -0.023 0.000 2.714 41 N HA -0.430 4.361 4.740 0.040 -0.027 0.253 41 N C -2.156 173.336 175.510 -0.030 0.000 1.024 41 N CA 1.374 54.425 53.050 0.002 0.000 0.726 41 N CB -1.934 36.557 38.487 0.007 0.000 0.908 41 N HN -0.198 8.119 8.380 -0.017 0.053 0.542 42 S N -0.783 114.885 115.700 -0.053 0.000 2.513 42 S HA 0.697 5.269 4.470 -0.048 -0.130 0.299 42 S C -2.430 172.138 174.600 -0.052 0.000 1.087 42 S CA -3.447 54.723 58.200 -0.049 0.000 1.012 42 S CB 2.562 65.741 63.200 -0.035 0.000 1.044 42 S HN -0.545 7.723 8.310 -0.070 0.000 0.485 43 P HA 0.034 4.539 4.420 -0.045 -0.112 0.271 43 P C -1.349 175.957 177.300 0.009 0.000 1.233 43 P CA -0.411 62.690 63.100 0.001 0.000 0.789 43 P CB 0.828 32.579 31.700 0.085 0.000 0.951 44 L N -0.498 120.704 121.223 -0.034 0.000 2.438 44 L HA 0.235 4.617 4.340 0.071 0.000 0.270 44 L C -1.697 175.180 176.870 0.012 0.000 0.972 44 L CA -0.907 53.913 54.840 -0.033 0.000 0.831 44 L CB 3.867 45.751 42.059 -0.291 0.000 1.273 44 L HN 0.069 8.261 8.230 -0.063 0.000 0.405 45 F N 5.000 124.900 119.950 -0.082 0.000 2.391 45 F HA 0.323 4.964 4.527 -0.052 -0.144 0.359 45 F C -1.290 174.507 175.800 -0.005 0.000 1.122 45 F CA -0.641 57.312 58.000 -0.078 0.000 1.120 45 F CB 2.055 40.951 39.000 -0.174 0.000 1.142 45 F HN -0.161 8.296 8.300 0.261 0.000 0.483 46 I N 6.162 126.778 120.570 0.078 0.000 2.321 46 I HA 0.530 4.984 4.170 0.227 -0.147 0.291 46 I C -2.609 173.699 176.117 0.318 0.000 0.998 46 I CA -2.831 58.571 61.300 0.169 0.000 1.227 46 I CB 2.748 40.766 38.000 0.030 0.000 1.368 46 I HN 0.481 8.660 8.210 -0.052 0.000 0.466 47 Q N 7.302 127.354 119.800 0.420 0.000 2.387 47 Q HA 0.899 5.690 4.340 0.498 -0.152 0.273 47 Q C -1.700 174.534 176.000 0.389 0.000 1.089 47 Q CA -2.973 53.102 55.803 0.453 0.000 0.824 47 Q CB 3.918 32.916 28.738 0.434 0.000 1.367 47 Q HN 0.404 8.919 8.270 0.408 0.000 0.443 48 A N 1.461 124.474 122.820 0.322 0.000 2.374 48 A HA 0.680 4.964 4.320 -0.060 0.000 0.305 48 A C -1.184 176.462 177.584 0.104 0.000 1.053 48 A CA -1.361 50.722 52.037 0.077 0.000 0.726 48 A CB 3.014 22.002 19.000 -0.020 0.000 1.229 48 A HN 0.046 8.452 8.150 0.427 0.000 0.431 49 S N 4.032 119.752 115.700 0.034 0.000 2.634 49 S HA 0.285 5.019 4.470 0.082 -0.215 0.261 49 S C 1.235 175.837 174.600 0.003 0.000 1.271 49 S CA -1.204 57.022 58.200 0.042 0.000 0.985 49 S CB 1.503 64.716 63.200 0.021 0.000 0.968 49 S HN 0.262 8.567 8.310 -0.009 0.000 0.568 50 E N 1.003 121.205 120.200 0.002 0.000 2.077 50 E HA -0.409 3.919 4.350 -0.036 0.000 0.193 50 E C 2.674 179.269 176.600 -0.010 0.000 0.989 50 E CA 3.378 59.768 56.400 -0.017 0.000 0.800 50 E CB -0.285 29.408 29.700 -0.011 0.000 0.746 50 E HN 0.707 9.082 8.360 0.024 0.000 0.452 51 G N -1.108 107.684 108.800 -0.013 0.000 2.440 51 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.218 51 G HA3 -0.212 3.729 3.960 -0.031 0.000 0.218 51 G C 0.899 175.798 174.900 -0.001 0.000 1.154 51 G CA 1.595 46.687 45.100 -0.014 0.000 0.767 51 G HN 0.081 8.361 8.290 -0.016 0.000 0.552 52 A N 1.470 124.268 122.820 -0.036 0.000 1.930 52 A HA -0.264 4.034 4.320 -0.038 0.000 0.217 52 A C 1.763 179.354 177.584 0.012 0.000 1.175 52 A CA 2.597 54.603 52.037 -0.052 0.000 0.627 52 A CB -0.296 18.599 19.000 -0.175 0.000 0.815 52 A HN -0.371 7.751 8.150 -0.048 0.000 0.443 53 I N -1.216 119.356 120.570 0.004 0.000 2.286 53 I HA -0.572 3.626 4.170 0.047 0.000 0.248 53 I C 1.509 177.652 176.117 0.043 0.000 1.115 53 I CA 4.035 65.356 61.300 0.035 0.000 1.392 53 I CB -0.181 37.836 38.000 0.028 0.000 1.065 53 I HN -0.278 7.928 8.210 -0.008 0.000 0.418 54 K N 0.218 120.644 120.400 0.043 0.000 2.057 54 K HA -0.376 3.961 4.320 0.027 0.000 0.207 54 K C 1.643 178.286 176.600 0.071 0.000 1.049 54 K CA 3.067 59.381 56.287 0.046 0.000 0.931 54 K CB -0.351 32.174 32.500 0.042 0.000 0.714 54 K HN -0.452 7.819 8.250 0.035 0.000 0.440 55 Y N -1.814 118.466 120.300 -0.033 0.000 2.163 55 Y HA -0.272 4.265 4.550 -0.022 0.000 0.288 55 Y C 1.194 177.082 175.900 -0.020 0.000 1.136 55 Y CA 2.600 60.682 58.100 -0.031 0.000 1.147 55 Y CB 0.617 39.048 38.460 -0.049 0.000 0.987 55 Y HN -0.563 7.755 8.280 0.207 0.086 0.509 56 M N -4.340 115.271 119.600 0.018 0.000 2.486 56 M HA -0.001 4.390 4.480 -0.149 0.000 0.264 56 M C 0.017 176.300 176.300 -0.028 0.000 1.125 56 M CA 1.444 56.720 55.300 -0.041 0.000 1.144 56 M CB 1.530 34.167 32.600 0.061 0.000 1.353 56 M HN -0.429 7.926 8.290 0.109 0.000 0.466 57 G N -1.495 107.306 108.800 0.002 0.000 3.019 57 G HA2 -0.224 3.763 3.960 0.017 0.000 0.686 57 G HA3 -0.224 3.825 3.960 0.008 -0.085 0.686 57 G C -1.026 173.911 174.900 0.062 0.000 1.056 57 G CA -0.563 44.548 45.100 0.019 0.000 0.774 57 G HN -0.417 7.879 8.290 0.011 0.000 0.583 58 I N 2.071 122.687 120.570 0.077 0.000 2.361 58 I HA -0.365 3.916 4.170 0.184 0.000 0.251 58 I C 0.142 176.344 176.117 0.141 0.000 1.133 58 I CA 2.485 63.870 61.300 0.142 0.000 1.413 58 I CB -0.046 38.031 38.000 0.130 0.000 1.073 58 I HN 0.376 8.620 8.210 0.058 0.000 0.424 59 D N -2.047 118.405 120.400 0.088 0.000 2.144 59 D HA -0.304 4.380 4.640 0.074 0.000 0.199 59 D C 1.985 178.325 176.300 0.067 0.000 0.984 59 D CA 3.090 57.131 54.000 0.068 0.000 0.834 59 D CB -1.225 39.600 40.800 0.041 0.000 0.955 59 D HN 0.370 8.768 8.370 0.069 0.014 0.465 60 M N 0.369 120.011 119.600 0.070 0.000 2.236 60 M HA -0.135 4.382 4.480 0.061 0.000 0.266 60 M C 1.341 177.722 176.300 0.136 0.000 1.070 60 M CA 1.736 57.083 55.300 0.078 0.000 1.137 60 M CB -0.306 32.330 32.600 0.059 0.000 1.378 60 M HN -0.727 7.509 8.290 0.065 0.093 0.426 61 A N 0.495 123.417 122.820 0.170 0.000 1.865 61 A HA -0.244 4.321 4.320 0.408 0.000 0.217 61 A C 2.096 179.804 177.584 0.207 0.000 1.191 61 A CA 3.058 55.263 52.037 0.280 0.000 0.623 61 A CB -0.797 18.352 19.000 0.248 0.000 0.826 61 A HN -0.298 7.941 8.150 0.147 0.000 0.444 62 V N -2.466 117.501 119.914 0.090 0.000 2.295 62 V HA -0.579 3.471 4.120 -0.117 0.000 0.246 62 V C 1.967 178.060 176.094 -0.003 0.000 1.049 62 V CA 4.062 66.349 62.300 -0.023 0.000 1.024 62 V CB -0.351 31.470 31.823 -0.002 0.000 0.648 62 V HN -0.349 7.914 8.190 0.121 0.000 0.447 63 G N -1.448 107.368 108.800 0.027 0.000 2.469 63 G HA2 -0.404 3.554 3.960 -0.003 0.000 0.219 63 G HA3 -0.404 3.566 3.960 0.017 0.000 0.219 63 G C 1.188 176.085 174.900 -0.006 0.000 1.150 63 G CA 2.214 47.319 45.100 0.009 0.000 0.763 63 G HN -0.519 7.798 8.290 0.046 0.000 0.561 64 M N 1.382 120.996 119.600 0.023 0.000 2.132 64 M HA -0.400 4.077 4.480 -0.004 0.000 0.263 64 M C 2.153 178.392 176.300 -0.102 0.000 1.065 64 M CA 4.066 59.367 55.300 0.003 0.000 1.122 64 M CB 0.113 32.770 32.600 0.094 0.000 1.365 64 M HN -0.335 7.993 8.290 0.063 0.000 0.411 65 V N 0.207 120.057 119.914 -0.107 0.000 2.343 65 V HA -0.596 3.369 4.120 -0.257 0.000 0.247 65 V C 1.706 177.721 176.094 -0.132 0.000 1.051 65 V CA 4.544 66.747 62.300 -0.162 0.000 1.036 65 V CB -0.502 31.254 31.823 -0.111 0.000 0.654 65 V HN -0.570 7.592 8.190 -0.047 0.000 0.451 66 K N -0.307 120.042 120.400 -0.085 0.000 2.097 66 K HA -0.323 3.970 4.320 -0.045 0.000 0.206 66 K C 2.660 179.209 176.600 -0.085 0.000 1.049 66 K CA 3.434 59.684 56.287 -0.063 0.000 0.933 66 K CB -0.221 32.254 32.500 -0.041 0.000 0.717 66 K HN -0.437 7.771 8.250 -0.070 0.000 0.442 67 I N 0.273 120.781 120.570 -0.104 0.000 2.226 67 I HA -0.516 3.600 4.170 -0.090 0.000 0.245 67 I C 2.087 178.095 176.117 -0.182 0.000 1.100 67 I CA 3.775 65.007 61.300 -0.114 0.000 1.374 67 I CB -0.026 37.919 38.000 -0.091 0.000 1.057 67 I HN -0.468 7.685 8.210 -0.095 0.000 0.413 68 M N -0.978 118.431 119.600 -0.318 0.000 2.175 68 M HA -0.347 3.882 4.480 -0.420 0.000 0.264 68 M C 2.243 178.333 176.300 -0.350 0.000 1.063 68 M CA 1.867 56.822 55.300 -0.576 0.000 1.119 68 M CB -1.401 30.349 32.600 -1.417 0.000 1.377 68 M HN -0.538 7.556 8.290 -0.328 0.000 0.415 69 C N -0.674 118.536 119.300 -0.150 0.000 2.435 69 C HA -0.362 4.267 4.460 0.282 0.000 0.279 69 C C 1.636 176.650 174.990 0.040 0.000 1.321 69 C CA 4.517 63.594 59.018 0.098 0.000 1.752 69 C CB -1.042 26.753 27.740 0.092 0.000 1.959 69 C HN -0.064 8.062 8.230 -0.175 0.000 0.500 70 E N -1.418 118.761 120.200 -0.034 0.000 2.208 70 E HA -0.268 4.075 4.350 -0.011 0.000 0.193 70 E C 1.673 178.226 176.600 -0.079 0.000 0.988 70 E CA 2.266 58.643 56.400 -0.039 0.000 0.828 70 E CB -0.373 29.298 29.700 -0.050 0.000 0.763 70 E HN -0.639 7.673 8.360 -0.065 0.009 0.478 71 R N -1.555 118.849 120.500 -0.160 0.000 2.115 71 R HA -0.147 4.024 4.340 -0.282 0.000 0.226 71 R C 0.498 176.526 176.300 -0.453 0.000 1.100 71 R CA 2.221 58.115 56.100 -0.343 0.000 0.980 71 R CB 1.007 31.017 30.300 -0.483 0.000 0.875 71 R HN -0.712 7.356 8.270 -0.164 0.103 0.445 72 Y N -3.393 116.942 120.300 0.057 0.000 2.562 72 Y HA 0.469 5.126 4.550 0.178 0.000 0.363 72 Y C -1.859 174.054 175.900 0.021 0.000 0.991 72 Y CA -3.211 54.942 58.100 0.088 0.000 1.121 72 Y CB -0.231 38.283 38.460 0.090 0.000 1.159 72 Y HN -0.422 7.895 8.280 0.063 0.000 0.651 73 P HA 0.043 4.665 4.420 0.101 -0.142 0.226 73 P C -0.392 176.988 177.300 0.133 0.000 1.153 73 P CA 0.983 64.163 63.100 0.133 0.000 0.777 73 P CB 0.380 32.147 31.700 0.113 0.000 0.794 74 H N -5.186 113.950 119.070 0.111 0.000 2.529 74 H HA -0.044 4.549 4.556 0.061 0.000 0.277 74 H C -0.182 175.188 175.328 0.069 0.000 0.999 74 H CA 0.009 56.104 56.048 0.079 0.000 1.256 74 H CB -0.436 29.370 29.762 0.073 0.000 1.402 74 H HN -0.411 8.075 8.280 0.406 0.038 0.566 75 I N 2.699 123.058 120.570 -0.352 0.000 2.352 75 I HA 0.103 4.144 4.170 -0.214 0.000 0.290 75 I C -2.251 173.802 176.117 -0.106 0.000 1.036 75 I CA -2.298 58.846 61.300 -0.259 0.000 1.336 75 I CB -0.042 37.757 38.000 -0.336 0.000 1.407 75 I HN -0.793 7.142 8.210 -0.391 0.039 0.497 76 P HA 0.035 4.577 4.420 -0.027 -0.139 0.271 76 P C -1.490 175.756 177.300 -0.091 0.000 1.226 76 P CA -0.419 62.656 63.100 -0.043 0.000 0.765 76 P CB 0.482 32.180 31.700 -0.004 0.000 0.835 77 V N 4.292 124.146 119.914 -0.100 0.000 2.577 77 V HA 0.648 4.855 4.120 -0.209 -0.212 0.303 77 V C -1.951 174.016 176.094 -0.212 0.000 1.042 77 V CA -1.803 60.398 62.300 -0.164 0.000 0.872 77 V CB 4.124 35.889 31.823 -0.096 0.000 0.998 77 V HN 0.219 8.366 8.190 -0.071 0.000 0.423 78 A N 6.833 129.405 122.820 -0.413 0.000 2.318 78 A HA 0.855 5.130 4.320 -0.340 -0.158 0.324 78 A C -2.612 174.722 177.584 -0.417 0.000 1.170 78 A CA -2.393 49.309 52.037 -0.557 0.000 0.810 78 A CB 3.177 21.425 19.000 -1.254 0.000 1.198 78 A HN 0.542 8.400 8.150 -0.487 0.000 0.484 79 L N 4.996 126.099 121.223 -0.200 0.000 2.280 79 L HA 0.723 5.202 4.340 -0.066 -0.179 0.287 79 L C -1.912 175.026 176.870 0.112 0.000 1.023 79 L CA -1.296 53.474 54.840 -0.118 0.000 0.819 79 L CB 2.276 44.163 42.059 -0.286 0.000 1.212 79 L HN -0.090 8.042 8.230 -0.163 0.000 0.420 80 H N 8.679 127.887 119.070 0.230 0.000 2.547 80 H HA 0.515 5.569 4.556 0.452 -0.227 0.342 80 H C -1.976 173.688 175.328 0.561 0.000 1.048 80 H CA -2.096 54.215 56.048 0.438 0.000 1.204 80 H CB 3.758 33.775 29.762 0.425 0.000 1.493 80 H HN 0.691 9.195 8.280 0.373 0.000 0.511 81 L N 8.521 129.705 121.223 -0.065 0.000 2.342 81 L HA 0.314 4.784 4.340 -0.030 -0.147 0.285 81 L C -1.873 174.824 176.870 -0.289 0.000 1.095 81 L CA -0.816 53.878 54.840 -0.243 0.000 0.843 81 L CB 0.784 42.524 42.059 -0.532 0.000 1.201 81 L HN 0.198 8.331 8.230 -0.162 0.000 0.445 82 D N 8.946 129.360 120.400 0.023 0.000 2.308 82 D HA 0.121 4.849 4.640 0.148 0.000 0.251 82 D C -0.179 176.193 176.300 0.121 0.000 1.127 82 D CA -0.661 53.413 54.000 0.124 0.000 0.876 82 D CB 0.650 41.584 40.800 0.224 0.000 1.176 82 D HN -0.134 8.303 8.370 0.112 0.000 0.446 83 H N 2.210 121.371 119.070 0.152 0.000 2.672 83 H HA -0.422 4.216 4.556 0.137 0.000 0.325 83 H C -0.621 174.729 175.328 0.038 0.000 1.158 83 H CA 1.158 57.274 56.048 0.113 0.000 1.134 83 H CB -2.704 27.126 29.762 0.113 0.000 1.553 83 H HN 0.082 8.284 8.280 -0.130 0.000 0.419 84 G N -2.979 105.858 108.800 0.062 0.000 2.380 84 G HA2 -0.021 4.091 3.960 -0.009 0.000 0.242 84 G HA3 -0.021 4.011 3.960 -0.039 -0.096 0.242 84 G C -0.704 174.241 174.900 0.075 0.000 1.298 84 G CA 0.064 45.171 45.100 0.011 0.000 0.878 84 G HN -0.560 7.739 8.290 0.014 0.000 0.542 85 T N -1.272 113.324 114.554 0.069 0.000 3.010 85 T HA 0.322 4.769 4.350 0.162 0.000 0.257 85 T C 0.377 175.141 174.700 0.107 0.000 1.020 85 T CA -0.908 61.263 62.100 0.118 0.000 0.938 85 T CB 1.637 70.573 68.868 0.112 0.000 1.049 85 T HN 0.094 8.636 8.240 0.039 -0.279 0.522 86 T N -2.944 111.646 114.554 0.061 0.000 2.843 86 T HA 0.254 4.657 4.350 0.089 0.000 0.302 86 T C -0.464 174.274 174.700 0.063 0.000 1.232 86 T CA -2.085 60.059 62.100 0.073 0.000 1.009 86 T CB 2.739 71.647 68.868 0.067 0.000 1.254 86 T HN -0.908 7.350 8.240 0.031 0.000 0.504 87 F N 3.071 122.999 119.950 -0.036 0.000 2.126 87 F HA -0.392 4.104 4.527 -0.052 0.000 0.299 87 F C 0.873 176.647 175.800 -0.044 0.000 1.096 87 F CA 4.214 62.185 58.000 -0.047 0.000 1.255 87 F CB 0.222 39.191 39.000 -0.052 0.000 0.997 87 F HN 0.570 9.018 8.300 0.248 0.000 0.479 88 E N -0.901 119.321 120.200 0.036 0.000 2.051 88 E HA -0.395 3.904 4.350 -0.085 0.000 0.192 88 E C 2.635 179.143 176.600 -0.153 0.000 0.991 88 E CA 3.504 59.874 56.400 -0.050 0.000 0.799 88 E CB -0.769 28.962 29.700 0.052 0.000 0.748 88 E HN 0.277 8.722 8.360 0.159 0.010 0.449 89 S N -0.073 115.559 115.700 -0.113 0.000 2.370 89 S HA -0.312 4.083 4.470 -0.126 0.000 0.226 89 S C 2.079 176.544 174.600 -0.225 0.000 1.033 89 S CA 3.003 61.120 58.200 -0.139 0.000 1.011 89 S CB -0.058 63.087 63.200 -0.093 0.000 0.852 89 S HN -0.469 7.802 8.310 -0.066 0.000 0.457 90 C N 0.841 119.984 119.300 -0.261 0.000 2.425 90 C HA -0.375 3.910 4.460 -0.291 0.000 0.277 90 C C 1.482 176.260 174.990 -0.354 0.000 1.280 90 C CA 4.852 63.686 59.018 -0.307 0.000 1.744 90 C CB -0.576 26.994 27.740 -0.282 0.000 1.989 90 C HN -0.514 7.573 8.230 -0.238 0.000 0.491 91 E N 1.298 121.216 120.200 -0.471 0.000 2.072 91 E HA -0.330 3.794 4.350 -0.377 0.000 0.191 91 E C 2.055 178.523 176.600 -0.219 0.000 0.985 91 E CA 2.928 59.084 56.400 -0.406 0.000 0.801 91 E CB -0.232 29.156 29.700 -0.519 0.000 0.750 91 E HN -0.198 7.825 8.360 -0.563 0.000 0.452 92 K N -1.309 118.976 120.400 -0.192 0.000 2.063 92 K HA -0.342 3.928 4.320 -0.083 0.000 0.208 92 K C 2.379 178.909 176.600 -0.117 0.000 1.048 92 K CA 3.045 59.260 56.287 -0.120 0.000 0.928 92 K CB -0.230 32.206 32.500 -0.105 0.000 0.713 92 K HN -0.361 7.763 8.250 -0.211 0.000 0.442 93 A N -0.893 121.792 122.820 -0.225 0.000 1.898 93 A HA -0.195 3.953 4.320 -0.287 0.000 0.216 93 A C 2.010 179.574 177.584 -0.032 0.000 1.181 93 A CA 2.948 54.792 52.037 -0.322 0.000 0.620 93 A CB -0.804 17.737 19.000 -0.765 0.000 0.819 93 A HN -0.651 7.328 8.150 -0.271 0.008 0.442 94 V N -1.628 118.247 119.914 -0.065 0.000 2.287 94 V HA -0.590 3.573 4.120 0.071 0.000 0.248 94 V C 1.958 178.078 176.094 0.043 0.000 1.053 94 V CA 3.804 66.112 62.300 0.013 0.000 1.027 94 V CB -0.057 31.743 31.823 -0.039 0.000 0.646 94 V HN -0.491 7.617 8.190 -0.138 0.000 0.447 95 K N -2.304 118.101 120.400 0.008 0.000 2.148 95 K HA -0.265 4.070 4.320 0.024 0.000 0.204 95 K C 1.366 178.000 176.600 0.057 0.000 1.050 95 K CA 2.395 58.696 56.287 0.023 0.000 0.942 95 K CB -0.146 32.354 32.500 -0.000 0.000 0.724 95 K HN -0.433 7.800 8.250 -0.028 0.000 0.446 96 A N -3.999 118.880 122.820 0.097 0.000 2.123 96 A HA 0.056 4.434 4.320 0.097 0.000 0.214 96 A C 0.218 177.897 177.584 0.158 0.000 1.152 96 A CA 0.708 52.829 52.037 0.139 0.000 0.728 96 A CB 0.666 19.784 19.000 0.197 0.000 0.814 96 A HN -0.443 7.644 8.150 0.097 0.121 0.464 97 G N -3.280 105.629 108.800 0.181 0.000 2.183 97 G HA2 -0.182 3.834 3.960 0.092 0.000 0.168 97 G HA3 -0.182 3.821 3.960 0.071 0.000 0.168 97 G C -0.289 174.682 174.900 0.118 0.000 1.008 97 G CA -0.550 44.620 45.100 0.116 0.000 0.677 97 G HN -0.632 7.777 8.290 0.199 0.000 0.498 98 F N 0.630 120.594 119.950 0.024 0.000 2.595 98 F HA -0.259 4.295 4.527 0.044 0.000 0.359 98 F C 0.668 176.483 175.800 0.026 0.000 1.147 98 F CA 1.741 59.759 58.000 0.029 0.000 1.341 98 F CB 0.624 39.632 39.000 0.013 0.000 1.104 98 F HN -0.689 7.984 8.300 0.623 0.000 0.603 99 T N -3.510 111.144 114.554 0.166 0.000 3.085 99 T HA 0.144 4.563 4.350 0.116 0.000 0.264 99 T C -0.422 174.385 174.700 0.178 0.000 1.019 99 T CA -0.401 61.770 62.100 0.118 0.000 0.910 99 T CB 0.831 69.718 68.868 0.031 0.000 1.059 99 T HN 0.397 8.713 8.240 0.127 0.000 0.542 100 S N 0.515 116.376 115.700 0.268 0.000 2.535 100 S HA 0.699 5.557 4.470 0.321 -0.196 0.272 100 S C -2.372 172.345 174.600 0.194 0.000 1.149 100 S CA -0.545 57.879 58.200 0.374 0.000 0.888 100 S CB 2.050 65.682 63.200 0.720 0.000 1.110 100 S HN -0.699 7.796 8.310 0.309 0.000 0.463 101 V N -0.071 119.879 119.914 0.059 0.000 2.733 101 V HA 0.467 4.347 4.120 -0.400 0.000 0.306 101 V C -2.542 173.484 176.094 -0.113 0.000 1.084 101 V CA -2.089 60.098 62.300 -0.188 0.000 0.905 101 V CB 3.640 35.371 31.823 -0.152 0.000 1.010 101 V HN 0.397 8.663 8.190 0.127 0.000 0.424 102 M N 6.273 125.754 119.600 -0.198 0.000 2.146 102 M HA 0.559 5.320 4.480 0.100 -0.222 0.357 102 M C -1.812 174.483 176.300 -0.009 0.000 1.261 102 M CA -0.404 54.908 55.300 0.020 0.000 1.106 102 M CB 2.480 35.144 32.600 0.106 0.000 1.612 102 M HN 0.435 8.482 8.290 -0.404 0.000 0.470 103 I N 7.412 127.998 120.570 0.028 0.000 2.328 103 I HA 0.278 4.587 4.170 0.034 -0.118 0.287 103 I C -2.974 173.197 176.117 0.090 0.000 1.012 103 I CA -1.862 59.464 61.300 0.044 0.000 1.195 103 I CB 2.064 40.084 38.000 0.033 0.000 1.350 103 I HN 0.506 8.741 8.210 0.042 0.000 0.464 104 D N 9.780 130.254 120.400 0.125 0.000 2.454 104 D HA 0.191 4.911 4.640 0.133 0.000 0.225 104 D C -1.747 174.695 176.300 0.237 0.000 1.081 104 D CA -1.259 52.844 54.000 0.172 0.000 0.864 104 D CB 1.639 42.587 40.800 0.247 0.000 1.040 104 D HN 0.365 8.812 8.370 0.127 0.000 0.517 105 A N 5.944 128.885 122.820 0.202 0.000 2.705 105 A HA 0.327 4.835 4.320 0.314 0.000 0.294 105 A C 0.323 178.013 177.584 0.177 0.000 1.039 105 A CA -0.789 51.389 52.037 0.235 0.000 1.005 105 A CB 0.230 19.298 19.000 0.114 0.000 1.192 105 A HN 0.348 8.591 8.150 0.154 0.000 0.513 106 S N 2.011 117.838 115.700 0.212 0.000 2.399 106 S HA -0.259 4.238 4.470 0.046 0.000 0.231 106 S C 0.696 175.375 174.600 0.132 0.000 1.022 106 S CA 2.578 60.850 58.200 0.118 0.000 0.983 106 S CB 0.124 63.365 63.200 0.070 0.000 0.803 106 S HN -0.529 8.203 8.310 0.260 -0.266 0.480 107 H N -1.762 117.300 119.070 -0.013 0.000 2.547 107 H HA 0.115 4.638 4.556 -0.056 0.000 0.272 107 H C 0.193 175.451 175.328 -0.116 0.000 0.989 107 H CA -0.013 55.984 56.048 -0.084 0.000 1.214 107 H CB -0.873 28.805 29.762 -0.141 0.000 1.389 107 H HN 0.144 8.772 8.280 0.619 0.023 0.577 108 H N 2.133 121.035 119.070 -0.279 0.000 2.597 108 H HA -0.021 4.427 4.556 -0.179 0.000 0.370 108 H C -0.534 174.766 175.328 -0.047 0.000 1.281 108 H CA 0.079 56.014 56.048 -0.189 0.000 1.422 108 H CB 0.823 30.455 29.762 -0.216 0.000 1.524 108 H HN -0.676 7.316 8.280 -0.231 0.149 0.607 109 A N -0.130 122.772 122.820 0.137 0.000 2.483 109 A HA -0.056 4.341 4.320 0.129 0.000 0.238 109 A C 0.645 178.325 177.584 0.160 0.000 1.070 109 A CA 0.222 52.338 52.037 0.132 0.000 0.770 109 A CB 0.697 19.762 19.000 0.109 0.000 1.008 109 A HN 0.108 8.346 8.150 0.146 0.000 0.497 110 F N 2.929 122.914 119.950 0.060 0.000 2.115 110 F HA -0.506 4.083 4.527 0.102 0.000 0.300 110 F C 1.024 176.883 175.800 0.098 0.000 1.092 110 F CA 4.014 62.066 58.000 0.087 0.000 1.245 110 F CB 0.188 39.232 39.000 0.074 0.000 0.995 110 F HN 0.510 9.010 8.300 0.333 0.000 0.481 111 E N -3.066 117.210 120.200 0.126 0.000 2.072 111 E HA -0.296 4.023 4.350 -0.051 0.000 0.191 111 E C 2.706 179.245 176.600 -0.102 0.000 0.985 111 E CA 3.688 60.090 56.400 0.004 0.000 0.801 111 E CB -1.023 28.732 29.700 0.090 0.000 0.750 111 E HN 0.484 8.971 8.360 0.238 0.016 0.452 112 E N -1.131 119.027 120.200 -0.070 0.000 2.072 112 E HA -0.312 3.949 4.350 -0.148 0.000 0.191 112 E C 2.191 178.677 176.600 -0.189 0.000 0.985 112 E CA 2.091 58.404 56.400 -0.143 0.000 0.801 112 E CB -0.652 28.950 29.700 -0.163 0.000 0.750 112 E HN -0.576 7.776 8.360 -0.014 0.000 0.452 113 N N 0.339 118.967 118.700 -0.120 0.000 2.043 113 N HA -0.275 4.432 4.740 -0.056 0.000 0.193 113 N C 2.089 177.571 175.510 -0.046 0.000 1.037 113 N CA 2.921 55.947 53.050 -0.040 0.000 0.851 113 N CB -0.180 38.339 38.487 0.053 0.000 1.027 113 N HN -0.406 7.932 8.380 -0.070 0.000 0.422 114 L N -0.632 120.461 121.223 -0.216 0.000 2.083 114 L HA -0.286 3.634 4.340 -0.700 0.000 0.209 114 L C 1.411 178.070 176.870 -0.352 0.000 1.083 114 L CA 3.361 57.916 54.840 -0.475 0.000 0.752 114 L CB -0.148 41.524 42.059 -0.644 0.000 0.899 114 L HN -0.192 7.848 8.230 -0.316 0.000 0.433 115 E N -0.444 119.608 120.200 -0.246 0.000 2.028 115 E HA -0.356 3.876 4.350 -0.197 0.000 0.191 115 E C 2.283 178.776 176.600 -0.178 0.000 0.988 115 E CA 3.177 59.459 56.400 -0.197 0.000 0.799 115 E CB 0.113 29.716 29.700 -0.162 0.000 0.755 115 E HN -0.657 7.470 8.360 -0.230 0.096 0.447 116 L N -1.339 119.785 121.223 -0.164 0.000 2.083 116 L HA -0.255 4.016 4.340 -0.114 0.000 0.209 116 L C 1.793 178.621 176.870 -0.070 0.000 1.083 116 L CA 2.979 57.749 54.840 -0.115 0.000 0.752 116 L CB -0.132 41.852 42.059 -0.125 0.000 0.899 116 L HN -0.042 8.082 8.230 -0.178 0.000 0.433 117 T N 1.811 116.307 114.554 -0.097 0.000 2.821 117 T HA -0.416 3.920 4.350 -0.024 0.000 0.267 117 T C 1.703 176.309 174.700 -0.157 0.000 1.046 117 T CA 5.406 67.454 62.100 -0.087 0.000 1.139 117 T CB -0.250 68.579 68.868 -0.065 0.000 0.871 117 T HN 0.059 8.227 8.240 -0.119 0.000 0.454 118 S N 1.406 116.972 115.700 -0.222 0.000 2.402 118 S HA -0.210 4.116 4.470 -0.239 0.000 0.229 118 S C 1.473 175.988 174.600 -0.141 0.000 1.021 118 S CA 3.166 61.238 58.200 -0.213 0.000 0.974 118 S CB -0.537 62.528 63.200 -0.225 0.000 0.800 118 S HN -0.346 7.815 8.310 -0.250 0.000 0.484 119 K N 2.658 122.995 120.400 -0.104 0.000 2.025 119 K HA -0.248 4.019 4.320 -0.089 0.000 0.207 119 K C 2.049 178.725 176.600 0.126 0.000 1.049 119 K CA 3.174 59.426 56.287 -0.058 0.000 0.933 119 K CB -0.127 32.277 32.500 -0.160 0.000 0.714 119 K HN -0.794 7.386 8.250 -0.116 0.000 0.438 120 V N -0.201 119.811 119.914 0.163 0.000 2.287 120 V HA -0.557 3.705 4.120 0.236 0.000 0.248 120 V C 1.659 177.744 176.094 -0.016 0.000 1.053 120 V CA 4.432 66.812 62.300 0.133 0.000 1.027 120 V CB 0.053 31.899 31.823 0.038 0.000 0.646 120 V HN -0.571 7.684 8.190 0.108 0.000 0.447 121 V N -0.740 119.097 119.914 -0.127 0.000 2.392 121 V HA -0.550 3.357 4.120 -0.354 0.000 0.249 121 V C 1.787 177.680 176.094 -0.334 0.000 1.059 121 V CA 4.647 66.745 62.300 -0.338 0.000 1.051 121 V CB -0.494 31.065 31.823 -0.441 0.000 0.658 121 V HN -0.218 7.898 8.190 -0.123 0.000 0.455 122 K N -0.481 119.827 120.400 -0.153 0.000 2.002 122 K HA -0.364 3.910 4.320 -0.078 0.000 0.209 122 K C 2.151 178.764 176.600 0.021 0.000 1.048 122 K CA 3.407 59.656 56.287 -0.062 0.000 0.930 122 K CB -0.170 32.308 32.500 -0.037 0.000 0.714 122 K HN -0.748 7.422 8.250 -0.115 0.011 0.438 123 M N 0.089 119.734 119.600 0.075 0.000 2.067 123 M HA -0.372 4.168 4.480 0.101 0.000 0.260 123 M C 1.577 177.910 176.300 0.055 0.000 1.069 123 M CA 2.729 58.088 55.300 0.098 0.000 1.117 123 M CB -0.527 32.177 32.600 0.173 0.000 1.334 123 M HN -0.803 7.553 8.290 0.110 0.000 0.407 124 A N -1.811 121.027 122.820 0.029 0.000 1.883 124 A HA -0.422 3.920 4.320 0.038 0.000 0.217 124 A C 2.053 179.733 177.584 0.161 0.000 1.186 124 A CA 2.977 55.050 52.037 0.060 0.000 0.624 124 A CB -0.612 18.413 19.000 0.041 0.000 0.822 124 A HN 0.055 8.208 8.150 0.004 0.000 0.444 125 H N -1.584 117.490 119.070 0.006 0.000 2.421 125 H HA -0.244 4.319 4.556 0.011 0.000 0.298 125 H C 3.247 178.583 175.328 0.014 0.000 1.087 125 H CA 2.070 58.123 56.048 0.009 0.000 1.330 125 H CB -0.000 29.763 29.762 0.002 0.000 1.388 125 H HN -0.121 8.267 8.280 0.180 0.000 0.526 126 N N 0.423 119.211 118.700 0.147 0.000 2.289 126 N HA -0.192 4.595 4.740 0.079 0.000 0.184 126 N C 0.128 175.676 175.510 0.064 0.000 1.016 126 N CA 2.059 55.160 53.050 0.085 0.000 0.872 126 N CB 0.026 38.554 38.487 0.068 0.000 0.973 126 N HN -0.241 8.128 8.380 0.141 0.096 0.433 127 A N -4.135 118.726 122.820 0.067 0.000 2.390 127 A HA 0.284 4.630 4.320 0.043 0.000 0.232 127 A C -0.039 177.574 177.584 0.049 0.000 1.233 127 A CA -0.556 51.511 52.037 0.050 0.000 0.907 127 A CB 0.722 19.748 19.000 0.044 0.000 0.967 127 A HN -0.597 7.441 8.150 0.082 0.161 0.512 128 G N -1.928 106.903 108.800 0.051 0.000 2.182 128 G HA2 -0.209 3.756 3.960 0.007 0.000 0.248 128 G HA3 -0.209 3.767 3.960 0.026 0.000 0.248 128 G C -0.677 174.251 174.900 0.047 0.000 1.042 128 G CA 0.168 45.286 45.100 0.030 0.000 0.775 128 G HN -0.505 7.697 8.290 0.063 0.126 0.501 129 V N -6.645 113.316 119.914 0.079 0.000 2.769 129 V HA 0.488 4.667 4.120 0.098 0.000 0.312 129 V C -1.752 174.427 176.094 0.143 0.000 1.061 129 V CA -2.869 59.493 62.300 0.105 0.000 0.931 129 V CB 3.059 34.947 31.823 0.108 0.000 1.010 129 V HN -0.571 7.676 8.190 0.096 0.000 0.433 130 S N 2.167 117.961 115.700 0.157 0.000 2.652 130 S HA 0.331 5.010 4.470 0.134 -0.129 0.270 130 S C -0.768 173.869 174.600 0.061 0.000 1.243 130 S CA -1.067 57.216 58.200 0.138 0.000 0.999 130 S CB 1.301 64.646 63.200 0.243 0.000 0.973 130 S HN -0.390 8.027 8.310 0.178 0.000 0.544 131 V N 0.125 119.964 119.914 -0.125 0.000 2.709 131 V HA 0.548 4.832 4.120 -0.061 -0.200 0.308 131 V C -1.943 173.918 176.094 -0.389 0.000 1.062 131 V CA -1.618 60.590 62.300 -0.153 0.000 0.901 131 V CB 4.040 35.808 31.823 -0.092 0.000 1.003 131 V HN 0.435 8.809 8.190 -0.184 -0.295 0.425 132 E N 6.472 126.583 120.200 -0.148 0.000 2.195 132 E HA 0.980 5.487 4.350 -0.145 -0.243 0.271 132 E C -2.053 174.593 176.600 0.078 0.000 0.923 132 E CA -2.979 53.410 56.400 -0.019 0.000 0.790 132 E CB 4.074 33.968 29.700 0.324 0.000 1.155 132 E HN 0.270 8.633 8.360 0.006 0.000 0.402 133 A N 3.386 126.271 122.820 0.110 0.000 2.486 133 A HA 0.903 5.475 4.320 0.111 -0.186 0.289 133 A C -2.451 175.144 177.584 0.019 0.000 1.176 133 A CA -2.144 49.968 52.037 0.125 0.000 0.757 133 A CB 4.432 23.622 19.000 0.317 0.000 1.337 133 A HN 0.022 8.240 8.150 0.112 0.000 0.423 134 E N -0.887 119.270 120.200 -0.072 0.000 2.272 134 E HA 0.608 5.019 4.350 -0.145 -0.147 0.269 134 E C -1.934 174.510 176.600 -0.259 0.000 0.877 134 E CA -1.443 54.867 56.400 -0.150 0.000 0.755 134 E CB 3.786 33.415 29.700 -0.118 0.000 1.192 134 E HN 0.269 8.604 8.360 -0.041 0.000 0.422 135 L N 3.803 124.872 121.223 -0.257 0.000 2.381 135 L HA 0.337 4.547 4.340 -0.217 0.000 0.274 135 L C -1.659 175.142 176.870 -0.114 0.000 0.988 135 L CA -0.943 53.760 54.840 -0.229 0.000 0.824 135 L CB 2.935 44.816 42.059 -0.296 0.000 1.263 135 L HN 0.002 8.105 8.230 -0.211 0.000 0.410 136 G N 0.178 108.940 108.800 -0.064 0.000 2.612 136 G HA2 -0.262 3.682 3.960 -0.025 0.000 0.686 136 G HA3 -0.262 3.667 3.960 -0.051 0.000 0.686 136 G C -1.214 173.660 174.900 -0.044 0.000 1.274 136 G CA -0.806 44.268 45.100 -0.043 0.000 0.849 136 G HN -0.097 8.164 8.290 -0.047 0.000 0.595 137 R N 0.313 120.790 120.500 -0.038 0.000 2.221 137 R HA 0.133 4.445 4.340 -0.046 0.000 0.327 137 R C -0.382 175.875 176.300 -0.071 0.000 1.033 137 R CA -1.214 54.858 56.100 -0.047 0.000 0.887 137 R CB 0.659 30.939 30.300 -0.033 0.000 1.057 137 R HN -0.098 8.153 8.270 -0.032 0.000 0.455 138 L N 8.197 129.356 121.223 -0.106 0.000 2.404 138 L HA 0.001 4.271 4.340 -0.117 0.000 0.277 138 L C -1.275 175.517 176.870 -0.131 0.000 1.184 138 L CA -0.275 54.481 54.840 -0.140 0.000 1.013 138 L CB -1.562 40.356 42.059 -0.235 0.000 1.318 138 L HN 0.503 8.666 8.230 -0.112 0.000 0.435 153 V N 0.034 119.940 119.914 -0.012 0.000 3.590 153 V HA 0.180 4.294 4.120 -0.010 0.000 0.265 153 V C -0.875 175.208 176.094 -0.019 0.000 1.239 153 V CA -0.421 61.871 62.300 -0.013 0.000 1.117 153 V CB 0.589 32.405 31.823 -0.013 0.000 0.818 153 V HN 0.037 8.220 8.190 -0.012 0.000 0.451 154 L N -2.618 118.593 121.223 -0.021 0.000 2.472 154 L HA 0.104 4.426 4.340 -0.031 0.000 0.256 154 L C 0.098 176.952 176.870 -0.027 0.000 1.111 154 L CA -1.581 53.243 54.840 -0.027 0.000 0.800 154 L CB 0.850 42.892 42.059 -0.029 0.000 1.286 154 L HN -0.734 7.485 8.230 -0.019 0.000 0.479 155 V N 0.363 120.258 119.914 -0.032 0.000 2.763 155 V HA -0.234 3.866 4.120 -0.033 0.000 0.306 155 V C -1.777 174.303 176.094 -0.023 0.000 1.059 155 V CA 0.435 62.717 62.300 -0.031 0.000 1.138 155 V CB 1.296 33.098 31.823 -0.035 0.000 0.940 155 V HN -0.151 8.018 8.190 -0.035 0.000 0.489 156 N N 8.224 126.912 118.700 -0.021 0.000 2.462 156 N HA 0.318 5.043 4.740 -0.025 0.000 0.242 156 N C -1.033 174.467 175.510 -0.016 0.000 1.010 156 N CA -3.817 49.217 53.050 -0.027 0.000 0.939 156 N CB -0.038 38.419 38.487 -0.049 0.000 1.127 156 N HN 0.362 8.731 8.380 -0.018 0.000 0.509 157 P HA -0.300 4.128 4.420 0.014 0.000 0.216 157 P C 0.836 178.144 177.300 0.014 0.000 1.150 157 P CA 2.205 65.309 63.100 0.007 0.000 0.843 157 P CB 0.339 32.043 31.700 0.007 0.000 0.787 158 K N -4.607 115.789 120.400 -0.007 0.000 2.155 158 K HA -0.127 4.197 4.320 0.008 0.000 0.203 158 K C 2.716 179.307 176.600 -0.015 0.000 1.052 158 K CA 1.622 57.903 56.287 -0.011 0.000 0.948 158 K CB -0.997 31.482 32.500 -0.035 0.000 0.728 158 K HN -0.468 7.946 8.250 -0.019 -0.176 0.448 159 E N 0.562 120.730 120.200 -0.053 0.000 2.051 159 E HA -0.341 3.885 4.350 -0.206 0.000 0.192 159 E C 2.166 178.894 176.600 0.213 0.000 0.991 159 E CA 3.186 59.552 56.400 -0.057 0.000 0.799 159 E CB -0.111 29.516 29.700 -0.122 0.000 0.748 159 E HN -0.511 7.973 8.360 -0.065 -0.163 0.449 160 A N -1.149 121.753 122.820 0.136 0.000 1.908 160 A HA -0.330 4.094 4.320 0.173 0.000 0.218 160 A C 1.720 179.423 177.584 0.198 0.000 1.181 160 A CA 3.414 55.542 52.037 0.151 0.000 0.627 160 A CB -1.017 18.018 19.000 0.058 0.000 0.818 160 A HN 0.019 8.212 8.150 0.071 0.000 0.445 161 E N -1.249 119.031 120.200 0.133 0.000 2.058 161 E HA -0.483 3.933 4.350 0.111 0.000 0.194 161 E C 1.921 178.611 176.600 0.150 0.000 0.997 161 E CA 3.178 59.648 56.400 0.117 0.000 0.801 161 E CB -0.237 29.506 29.700 0.073 0.000 0.746 161 E HN -0.429 7.990 8.360 0.099 0.000 0.450 162 Q N -0.920 118.988 119.800 0.181 0.000 2.083 162 Q HA -0.279 4.143 4.340 0.137 0.000 0.198 162 Q C 2.171 178.329 176.000 0.263 0.000 0.969 162 Q CA 2.733 58.656 55.803 0.201 0.000 0.838 162 Q CB 0.014 28.878 28.738 0.210 0.000 0.900 162 Q HN -0.796 7.577 8.270 0.171 0.000 0.436 163 F N 1.107 121.194 119.950 0.230 0.000 2.095 163 F HA -0.485 4.089 4.527 0.078 0.000 0.298 163 F C 1.656 177.481 175.800 0.043 0.000 1.104 163 F CA 3.905 61.983 58.000 0.130 0.000 1.232 163 F CB 0.234 39.325 39.000 0.152 0.000 0.987 163 F HN 0.116 8.759 8.300 0.572 0.000 0.475 164 V N -0.816 119.281 119.914 0.305 0.000 2.358 164 V HA -0.576 3.653 4.120 0.180 0.000 0.246 164 V C 2.219 178.342 176.094 0.049 0.000 1.047 164 V CA 3.813 66.217 62.300 0.173 0.000 1.035 164 V CB -0.107 31.819 31.823 0.172 0.000 0.658 164 V HN -0.151 8.250 8.190 0.352 0.000 0.452 165 K N -0.777 119.657 120.400 0.056 0.000 2.057 165 K HA -0.236 4.100 4.320 0.026 0.000 0.206 165 K C 2.075 178.664 176.600 -0.018 0.000 1.050 165 K CA 3.013 59.315 56.287 0.025 0.000 0.935 165 K CB -0.052 32.472 32.500 0.040 0.000 0.715 165 K HN -0.783 7.520 8.250 0.089 0.000 0.439 166 E N -1.734 118.437 120.200 -0.048 0.000 2.076 166 E HA -0.162 4.150 4.350 -0.063 0.000 0.190 166 E C 1.851 178.350 176.600 -0.168 0.000 0.979 166 E CA 2.097 58.442 56.400 -0.093 0.000 0.807 166 E CB 0.334 29.980 29.700 -0.090 0.000 0.761 166 E HN -0.407 7.932 8.360 -0.035 0.000 0.454 167 S N -1.941 113.593 115.700 -0.276 0.000 2.436 167 S HA -0.100 4.174 4.470 -0.327 0.000 0.228 167 S C 0.561 175.030 174.600 -0.219 0.000 1.014 167 S CA 1.648 59.639 58.200 -0.348 0.000 0.950 167 S CB 1.532 64.334 63.200 -0.664 0.000 0.784 167 S HN -0.463 7.664 8.310 -0.305 0.000 0.504 168 Q N -4.390 115.335 119.800 -0.125 0.000 2.460 168 Q HA -0.385 4.017 4.340 0.002 -0.061 0.248 168 Q C -0.681 175.309 176.000 -0.016 0.000 0.847 168 Q CA 1.188 56.969 55.803 -0.037 0.000 1.214 168 Q CB -2.613 26.116 28.738 -0.015 0.000 1.523 168 Q HN -0.409 7.795 8.270 -0.110 0.000 0.602 169 V N -7.599 112.280 119.914 -0.059 0.000 2.928 169 V HA -0.299 3.775 4.120 -0.076 0.000 0.307 169 V C -0.256 175.847 176.094 0.015 0.000 1.105 169 V CA 0.737 63.018 62.300 -0.031 0.000 1.223 169 V CB 0.024 31.868 31.823 0.036 0.000 0.930 169 V HN -0.804 7.284 8.190 -0.093 0.046 0.499 170 D N 4.385 124.750 120.400 -0.059 0.000 2.183 170 D HA -0.045 4.626 4.640 0.052 0.000 0.205 170 D C -0.152 176.167 176.300 0.031 0.000 0.962 170 D CA 2.699 56.672 54.000 -0.045 0.000 0.849 170 D CB 1.401 42.136 40.800 -0.109 0.000 0.978 170 D HN -0.188 8.100 8.370 -0.136 0.000 0.488 171 Y N -6.975 113.369 120.300 0.074 0.000 2.588 171 Y HA 0.377 5.019 4.550 0.005 -0.089 0.343 171 Y C -2.094 173.842 175.900 0.060 0.000 1.065 171 Y CA -2.113 56.004 58.100 0.029 0.000 1.038 171 Y CB 2.462 40.907 38.460 -0.025 0.000 1.297 171 Y HN -0.476 7.495 8.280 -0.514 0.000 0.467 172 L N 0.514 121.855 121.223 0.197 0.000 2.370 172 L HA 0.687 5.242 4.340 0.107 -0.151 0.266 172 L C -2.084 174.840 176.870 0.091 0.000 1.002 172 L CA -2.019 52.889 54.840 0.113 0.000 0.818 172 L CB 5.028 47.133 42.059 0.076 0.000 1.325 172 L HN -0.286 8.058 8.230 0.190 0.000 0.418 173 A N 3.318 126.169 122.820 0.052 0.000 2.322 173 A HA 0.849 5.410 4.320 0.092 -0.186 0.327 173 A C -3.036 174.533 177.584 -0.025 0.000 1.394 173 A CA -3.925 48.145 52.037 0.055 0.000 0.921 173 A CB 0.671 19.712 19.000 0.069 0.000 1.153 173 A HN 0.515 8.676 8.150 0.017 0.000 0.523 174 P HA 0.469 4.983 4.420 -0.062 -0.131 0.301 174 P C -1.562 175.718 177.300 -0.033 0.000 1.338 174 P CA -1.874 61.205 63.100 -0.034 0.000 0.834 174 P CB 1.433 33.125 31.700 -0.013 0.000 0.967 175 A N 3.882 126.669 122.820 -0.054 0.000 2.492 175 A HA 0.034 4.322 4.320 -0.053 0.000 0.254 175 A C -0.335 177.223 177.584 -0.044 0.000 1.091 175 A CA 0.235 52.240 52.037 -0.053 0.000 0.768 175 A CB 0.830 19.792 19.000 -0.063 0.000 1.028 175 A HN -0.060 8.051 8.150 -0.065 0.000 0.498 176 I N -4.459 116.085 120.570 -0.044 0.000 4.219 176 I HA 0.262 4.394 4.170 -0.062 0.000 0.329 176 I C -0.284 175.794 176.117 -0.066 0.000 1.427 176 I CA -1.121 60.139 61.300 -0.066 0.000 1.151 176 I CB 0.845 38.789 38.000 -0.092 0.000 1.369 176 I HN 0.540 8.728 8.210 -0.037 0.000 0.521 177 G N -0.313 108.473 108.800 -0.022 0.000 2.485 177 G HA2 -0.279 3.703 3.960 0.037 0.000 0.181 177 G HA3 -0.279 3.712 3.960 0.052 0.000 0.181 177 G C -0.715 174.231 174.900 0.077 0.000 0.999 177 G CA -0.117 45.006 45.100 0.039 0.000 0.721 177 G HN 0.318 8.593 8.290 -0.026 0.000 0.486 178 T N -3.005 111.563 114.554 0.024 0.000 2.788 178 T HA 0.009 4.325 4.350 -0.056 0.000 0.280 178 T C -1.770 172.859 174.700 -0.118 0.000 0.984 178 T CA -1.569 60.512 62.100 -0.031 0.000 0.972 178 T CB 1.956 70.832 68.868 0.013 0.000 1.039 178 T HN -0.651 7.595 8.240 0.010 0.000 0.530 179 S N -2.301 113.296 115.700 -0.171 0.000 2.587 179 S HA 0.259 4.576 4.470 -0.255 0.000 0.269 179 S C -1.464 173.062 174.600 -0.123 0.000 1.154 179 S CA -1.078 57.004 58.200 -0.196 0.000 0.824 179 S CB 2.263 65.361 63.200 -0.169 0.000 1.118 179 S HN 0.016 8.217 8.310 -0.182 0.000 0.462 180 H N 2.309 121.360 119.070 -0.032 0.000 2.790 180 H HA -0.117 4.439 4.556 0.001 0.000 0.358 180 H C 0.827 176.133 175.328 -0.037 0.000 1.103 180 H CA 1.886 57.923 56.048 -0.017 0.000 1.426 180 H CB 0.704 30.458 29.762 -0.014 0.000 1.424 180 H HN 0.427 8.597 8.280 -0.184 0.000 0.599 181 G N 0.394 109.258 108.800 0.106 0.000 2.685 181 G HA2 -0.282 3.682 3.960 0.007 0.000 0.387 181 G HA3 -0.282 3.722 3.960 0.072 0.000 0.387 181 G C -1.128 173.725 174.900 -0.077 0.000 1.324 181 G CA -0.677 44.440 45.100 0.029 0.000 0.878 181 G HN -0.047 8.311 8.290 0.114 0.000 0.527 182 A N -1.117 121.592 122.820 -0.186 0.000 2.208 182 A HA 0.032 4.123 4.320 -0.383 0.000 0.209 182 A C -0.935 176.189 177.584 -0.767 0.000 1.161 182 A CA 1.369 53.087 52.037 -0.532 0.000 0.782 182 A CB 0.587 19.118 19.000 -0.782 0.000 0.816 182 A HN 0.119 8.208 8.150 -0.102 0.000 0.477 183 F N -3.840 116.054 119.950 -0.094 0.000 2.438 183 F HA 0.236 4.714 4.527 -0.082 0.000 0.315 183 F C 0.020 175.713 175.800 -0.179 0.000 1.258 183 F CA -1.275 56.665 58.000 -0.100 0.000 1.180 183 F CB -1.313 37.648 39.000 -0.065 0.000 1.412 183 F HN -0.607 7.656 8.300 0.026 0.052 0.544 184 K N -0.639 119.616 120.400 -0.242 0.000 2.243 184 K HA 0.026 4.074 4.320 -0.453 0.000 0.201 184 K C -0.419 175.668 176.600 -0.855 0.000 1.051 184 K CA 1.759 57.665 56.287 -0.635 0.000 0.970 184 K CB 1.095 32.994 32.500 -1.002 0.000 0.755 184 K HN -0.411 7.683 8.250 -0.260 0.000 0.465 185 F N -2.989 116.975 119.950 0.024 0.000 2.557 185 F HA 0.086 4.623 4.527 0.017 0.000 0.316 185 F C 0.342 176.160 175.800 0.030 0.000 1.141 185 F CA -1.254 56.755 58.000 0.015 0.000 0.922 185 F CB 1.805 40.797 39.000 -0.013 0.000 1.194 185 F HN -0.682 7.559 8.300 -0.098 0.000 0.443 186 K N 1.881 122.396 120.400 0.193 0.000 2.057 186 K HA -0.078 4.311 4.320 0.114 0.000 0.206 186 K C 0.788 177.456 176.600 0.113 0.000 1.050 186 K CA 1.373 57.735 56.287 0.124 0.000 0.935 186 K CB 0.201 32.750 32.500 0.083 0.000 0.715 186 K HN 0.445 8.806 8.250 0.186 0.000 0.439 187 G N -1.135 107.736 108.800 0.119 0.000 3.414 187 G HA2 0.212 4.203 3.960 0.052 0.000 0.189 187 G HA3 0.212 4.199 3.960 0.045 0.000 0.189 187 G C -1.584 173.331 174.900 0.026 0.000 1.329 187 G CA -0.679 44.458 45.100 0.062 0.000 0.851 187 G HN -0.685 7.694 8.290 0.149 0.000 0.671 188 E N 2.109 122.286 120.200 -0.039 0.000 2.354 188 E HA 0.145 4.406 4.350 -0.149 0.000 0.269 188 E C -1.926 174.469 176.600 -0.341 0.000 1.036 188 E CA -2.002 54.314 56.400 -0.139 0.000 0.876 188 E CB 0.331 29.978 29.700 -0.087 0.000 1.009 188 E HN 0.109 8.455 8.360 -0.022 0.000 0.416 189 P HA 0.006 2.853 4.420 -2.621 0.000 0.268 189 P C -1.398 175.622 177.300 -0.467 0.000 1.204 189 P CA 0.091 62.390 63.100 -1.334 0.000 0.768 189 P CB 0.473 31.399 31.700 -1.290 0.000 0.842 190 K N 1.001 121.179 120.400 -0.371 0.000 2.525 190 K HA 0.201 4.631 4.320 0.183 0.000 0.254 190 K C -2.167 174.430 176.600 -0.006 0.000 0.934 190 K CA -0.605 55.689 56.287 0.013 0.000 0.802 190 K CB 3.290 35.780 32.500 -0.018 0.000 1.295 190 K HN -0.225 7.632 8.250 -0.655 0.000 0.433 191 L N 1.476 122.563 121.223 -0.226 0.000 2.370 191 L HA 0.462 4.802 4.340 -0.218 -0.131 0.266 191 L C -0.658 175.856 176.870 -0.594 0.000 1.002 191 L CA -1.575 52.991 54.840 -0.456 0.000 0.818 191 L CB 3.204 44.798 42.059 -0.775 0.000 1.325 191 L HN 0.111 8.143 8.230 -0.330 0.000 0.418 192 D N 2.666 122.840 120.400 -0.376 0.000 2.558 192 D HA 0.095 4.622 4.640 -0.187 0.000 0.221 192 D C 0.518 176.684 176.300 -0.223 0.000 1.143 192 D CA -1.246 52.614 54.000 -0.234 0.000 1.010 192 D CB -0.906 39.828 40.800 -0.111 0.000 1.068 192 D HN 0.187 8.386 8.370 -0.284 0.000 0.511 193 F N 3.087 122.999 119.950 -0.062 0.000 2.269 193 F HA -0.334 4.162 4.527 -0.052 0.000 0.301 193 F C 1.727 177.501 175.800 -0.043 0.000 1.082 193 F CA 2.883 60.844 58.000 -0.065 0.000 1.360 193 F CB -0.069 38.865 39.000 -0.109 0.000 1.041 193 F HN -0.392 7.701 8.300 -0.298 0.029 0.512 194 E N 0.281 120.552 120.200 0.117 0.000 2.051 194 E HA -0.386 4.005 4.350 0.068 0.000 0.192 194 E C 2.330 178.954 176.600 0.040 0.000 0.991 194 E CA 3.221 59.659 56.400 0.063 0.000 0.799 194 E CB -0.345 29.376 29.700 0.035 0.000 0.748 194 E HN -0.281 8.196 8.360 0.096 -0.059 0.449 195 R N -0.951 119.559 120.500 0.017 0.000 2.083 195 R HA -0.322 4.023 4.340 0.008 0.000 0.237 195 R C 2.498 178.810 176.300 0.021 0.000 1.137 195 R CA 3.039 59.143 56.100 0.006 0.000 0.951 195 R CB -0.091 30.199 30.300 -0.016 0.000 0.851 195 R HN -0.552 8.019 8.270 0.004 -0.299 0.434 196 L N -0.771 120.472 121.223 0.033 0.000 1.990 196 L HA -0.411 3.952 4.340 0.039 0.000 0.213 196 L C 1.648 178.555 176.870 0.062 0.000 1.072 196 L CA 3.423 58.297 54.840 0.056 0.000 0.755 196 L CB -0.305 41.819 42.059 0.108 0.000 0.889 196 L HN -0.385 7.861 8.230 0.027 0.000 0.432 197 Q N -2.384 117.457 119.800 0.068 0.000 2.167 197 Q HA -0.348 4.023 4.340 0.053 0.000 0.202 197 Q C 2.838 178.862 176.000 0.040 0.000 0.970 197 Q CA 3.027 58.862 55.803 0.052 0.000 0.855 197 Q CB -0.164 28.601 28.738 0.045 0.000 0.911 197 Q HN -0.339 7.979 8.270 0.080 0.000 0.438 198 E N 0.637 120.858 120.200 0.035 0.000 2.072 198 E HA -0.241 4.125 4.350 0.027 0.000 0.191 198 E C 2.337 178.956 176.600 0.033 0.000 0.985 198 E CA 2.743 59.160 56.400 0.028 0.000 0.801 198 E CB -0.352 29.361 29.700 0.020 0.000 0.750 198 E HN -0.629 7.752 8.360 0.035 0.000 0.452 199 V N 0.037 119.971 119.914 0.034 0.000 2.295 199 V HA -0.535 3.607 4.120 0.037 0.000 0.246 199 V C 2.306 178.429 176.094 0.048 0.000 1.049 199 V CA 4.372 66.695 62.300 0.037 0.000 1.024 199 V CB -0.207 31.634 31.823 0.031 0.000 0.648 199 V HN -0.172 8.037 8.190 0.032 0.000 0.447 200 K N 0.139 120.570 120.400 0.052 0.000 2.032 200 K HA -0.269 4.094 4.320 0.071 0.000 0.209 200 K C 1.829 178.469 176.600 0.067 0.000 1.048 200 K CA 2.603 58.929 56.287 0.066 0.000 0.927 200 K CB -0.490 32.051 32.500 0.067 0.000 0.712 200 K HN -0.196 8.084 8.250 0.050 0.000 0.441 201 R N -0.867 119.665 120.500 0.052 0.000 2.091 201 R HA -0.234 4.135 4.340 0.049 0.000 0.238 201 R C 2.177 178.506 176.300 0.048 0.000 1.136 201 R CA 2.950 59.078 56.100 0.046 0.000 0.959 201 R CB -0.170 30.151 30.300 0.034 0.000 0.856 201 R HN -0.438 7.860 8.270 0.046 0.000 0.437 202 L N -5.144 116.107 121.223 0.047 0.000 2.270 202 L HA -0.034 4.332 4.340 0.043 0.000 0.210 202 L C 1.577 178.482 176.870 0.057 0.000 1.104 202 L CA 1.863 56.731 54.840 0.048 0.000 0.804 202 L CB 0.450 42.535 42.059 0.044 0.000 0.937 202 L HN -0.439 7.818 8.230 0.045 0.000 0.450 203 T N -6.690 107.901 114.554 0.063 0.000 3.021 203 T HA -0.067 4.325 4.350 0.070 0.000 0.245 203 T C 0.979 175.713 174.700 0.056 0.000 1.028 203 T CA 0.323 62.462 62.100 0.066 0.000 1.139 203 T CB 1.623 70.534 68.868 0.071 0.000 0.884 203 T HN -0.280 7.997 8.240 0.062 0.000 0.457 204 N N 1.228 119.970 118.700 0.069 0.000 2.725 204 N HA -0.419 4.474 4.740 0.164 -0.055 0.249 204 N C -1.720 173.780 175.510 -0.017 0.000 1.103 204 N CA 1.417 54.526 53.050 0.099 0.000 0.707 204 N CB -1.460 37.088 38.487 0.101 0.000 1.043 204 N HN -0.103 8.323 8.380 0.077 0.000 0.553 205 I N -8.833 111.680 120.570 -0.095 0.000 3.108 205 I HA 0.647 4.512 4.170 -0.510 0.000 0.312 205 I C -2.187 173.753 176.117 -0.294 0.000 1.095 205 I CA -3.824 57.307 61.300 -0.281 0.000 1.000 205 I CB 1.162 39.120 38.000 -0.070 0.000 1.229 205 I HN -1.003 7.172 8.210 -0.021 0.023 0.454 206 P HA 0.196 4.813 4.420 -0.085 -0.247 0.268 206 P C -1.112 176.175 177.300 -0.022 0.000 1.205 206 P CA -0.171 62.848 63.100 -0.134 0.000 0.771 206 P CB 0.293 31.893 31.700 -0.166 0.000 0.858 207 L N 0.183 121.391 121.223 -0.027 0.000 2.319 207 L HA 0.751 5.277 4.340 0.041 -0.161 0.267 207 L C -0.568 176.274 176.870 -0.046 0.000 1.011 207 L CA -1.529 53.314 54.840 0.004 0.000 0.818 207 L CB 4.270 46.344 42.059 0.026 0.000 1.316 207 L HN -0.516 7.831 8.230 -0.036 -0.139 0.432 208 V N -0.323 119.589 119.914 -0.003 0.000 2.487 208 V HA 0.520 4.753 4.120 -0.131 -0.192 0.298 208 V C -1.373 174.746 176.094 0.043 0.000 1.028 208 V CA -1.451 60.829 62.300 -0.034 0.000 0.860 208 V CB 2.494 34.331 31.823 0.023 0.000 0.991 208 V HN 0.360 8.574 8.190 0.040 0.000 0.427 209 L N 7.926 129.144 121.223 -0.008 0.000 2.255 209 L HA 0.433 4.828 4.340 0.092 0.000 0.289 209 L C -1.919 174.976 176.870 0.042 0.000 1.046 209 L CA -1.722 53.147 54.840 0.049 0.000 0.816 209 L CB 1.846 43.926 42.059 0.035 0.000 1.197 209 L HN 0.311 8.498 8.230 -0.072 0.000 0.427 210 H N 5.298 124.370 119.070 0.003 0.000 2.509 210 H HA 0.068 4.676 4.556 0.087 0.000 0.359 210 H C 0.461 175.811 175.328 0.037 0.000 1.253 210 H CA 0.756 56.837 56.048 0.056 0.000 1.373 210 H CB 2.219 32.027 29.762 0.077 0.000 1.555 210 H HN 0.504 8.984 8.280 0.334 0.000 0.586 211 G N -1.778 107.164 108.800 0.237 0.000 2.323 211 G HA2 -0.478 3.614 3.960 0.221 0.000 0.292 211 G HA3 -0.478 3.548 3.960 0.051 -0.036 0.292 211 G C -0.913 174.037 174.900 0.082 0.000 1.040 211 G CA 0.577 45.762 45.100 0.142 0.000 0.942 211 G HN 0.820 9.336 8.290 0.378 0.000 0.506 212 A N -3.059 119.811 122.820 0.083 0.000 2.308 212 A HA 0.131 4.509 4.320 0.096 0.000 0.217 212 A C -0.791 176.844 177.584 0.084 0.000 1.216 212 A CA -0.471 51.613 52.037 0.077 0.000 0.864 212 A CB 0.835 19.860 19.000 0.042 0.000 0.902 212 A HN -0.714 7.486 8.150 0.083 0.000 0.499 213 S N -2.405 113.334 115.700 0.066 0.000 2.568 213 S HA -0.237 4.288 4.470 0.092 0.000 0.282 213 S C 0.196 174.821 174.600 0.042 0.000 1.338 213 S CA 0.525 58.762 58.200 0.061 0.000 1.045 213 S CB 0.491 63.706 63.200 0.026 0.000 0.873 213 S HN -0.645 7.701 8.310 0.060 0.000 0.516 214 A N 3.575 126.420 122.820 0.042 0.000 2.197 214 A HA 0.440 4.984 4.320 -0.048 -0.254 0.210 214 A C -0.309 177.196 177.584 -0.132 0.000 1.180 214 A CA -0.855 51.151 52.037 -0.051 0.000 0.846 214 A CB 1.456 20.420 19.000 -0.060 0.000 0.884 214 A HN 0.225 8.861 8.150 0.076 -0.440 0.487 215 I N -2.029 118.493 120.570 -0.080 0.000 4.936 215 I HA -0.449 3.768 4.170 -0.069 -0.088 0.126 215 I C -2.964 173.082 176.117 -0.119 0.000 1.225 215 I CA -0.324 60.916 61.300 -0.099 0.000 2.654 215 I CB -2.093 35.820 38.000 -0.145 0.000 2.044 215 I HN -0.341 8.233 8.210 -0.042 -0.389 0.324 216 P HA 0.031 4.306 4.420 -0.241 0.000 0.269 216 P C -0.186 177.102 177.300 -0.020 0.000 1.217 216 P CA -0.309 62.758 63.100 -0.054 0.000 0.783 216 P CB 0.724 32.551 31.700 0.212 0.000 0.898 217 D N 1.224 121.614 120.400 -0.016 0.000 2.104 217 D HA -0.374 4.256 4.640 -0.017 0.000 0.194 217 D C 1.634 177.955 176.300 0.035 0.000 0.994 217 D CA 4.233 58.235 54.000 0.003 0.000 0.830 217 D CB -0.290 40.517 40.800 0.012 0.000 0.959 217 D HN 0.434 8.790 8.370 -0.023 0.000 0.452 218 N N -0.605 118.131 118.700 0.061 0.000 2.166 218 N HA -0.244 4.526 4.740 0.051 0.000 0.186 218 N C 2.108 177.656 175.510 0.064 0.000 1.019 218 N CA 2.931 56.017 53.050 0.060 0.000 0.856 218 N CB -1.092 37.434 38.487 0.066 0.000 0.993 218 N HN 0.454 8.883 8.380 0.081 0.000 0.426 219 V N 1.878 121.833 119.914 0.069 0.000 2.358 219 V HA -0.481 3.691 4.120 0.086 0.000 0.246 219 V C 1.756 177.899 176.094 0.083 0.000 1.047 219 V CA 3.753 66.098 62.300 0.075 0.000 1.035 219 V CB -0.233 31.627 31.823 0.063 0.000 0.658 219 V HN -0.856 7.377 8.190 0.072 0.000 0.452 220 R N -0.602 119.927 120.500 0.049 0.000 2.081 220 R HA -0.369 4.005 4.340 0.056 0.000 0.235 220 R C 1.640 178.001 176.300 0.101 0.000 1.131 220 R CA 3.692 59.825 56.100 0.055 0.000 0.960 220 R CB -0.253 30.052 30.300 0.007 0.000 0.856 220 R HN -0.234 8.054 8.270 0.030 0.000 0.436 221 K N -0.831 119.612 120.400 0.071 0.000 2.097 221 K HA -0.272 4.084 4.320 0.060 0.000 0.205 221 K C 2.159 178.801 176.600 0.071 0.000 1.050 221 K CA 3.398 59.723 56.287 0.063 0.000 0.938 221 K CB -0.359 32.167 32.500 0.043 0.000 0.718 221 K HN -0.326 7.958 8.250 0.057 0.000 0.442 222 S N -0.146 115.604 115.700 0.084 0.000 2.383 222 S HA -0.297 4.200 4.470 0.046 0.000 0.227 222 S C 1.801 176.460 174.600 0.097 0.000 1.026 222 S CA 3.551 61.796 58.200 0.076 0.000 0.981 222 S CB 0.064 63.312 63.200 0.080 0.000 0.818 222 S HN -0.419 7.943 8.310 0.087 0.000 0.472 223 Y N 3.067 123.381 120.300 0.023 0.000 2.163 223 Y HA -0.377 4.195 4.550 0.036 0.000 0.288 223 Y C 1.525 177.441 175.900 0.028 0.000 1.136 223 Y CA 3.989 62.107 58.100 0.030 0.000 1.147 223 Y CB 0.183 38.660 38.460 0.030 0.000 0.987 223 Y HN -0.537 7.900 8.280 0.263 0.000 0.509 224 L N -1.724 119.573 121.223 0.124 0.000 2.056 224 L HA -0.321 4.205 4.340 0.034 -0.166 0.207 224 L C 2.907 179.768 176.870 -0.015 0.000 1.078 224 L CA 2.454 57.322 54.840 0.047 0.000 0.749 224 L CB -0.506 41.600 42.059 0.078 0.000 0.901 224 L HN -0.169 8.169 8.230 0.181 0.000 0.433 225 D N 0.217 120.614 120.400 -0.005 0.000 2.182 225 D HA -0.235 4.397 4.640 -0.012 0.000 0.201 225 D C 1.164 177.434 176.300 -0.049 0.000 0.986 225 D CA 2.695 56.684 54.000 -0.018 0.000 0.847 225 D CB -0.575 40.222 40.800 -0.005 0.000 0.942 225 D HN 0.048 8.428 8.370 0.017 0.000 0.467 226 A N -3.740 119.027 122.820 -0.089 0.000 2.259 226 A HA -0.033 4.238 4.320 -0.083 0.000 0.208 226 A C -0.114 177.378 177.584 -0.154 0.000 1.201 226 A CA -0.085 51.879 52.037 -0.121 0.000 0.824 226 A CB 0.054 18.965 19.000 -0.149 0.000 0.838 226 A HN -0.584 7.393 8.150 -0.097 0.115 0.485 227 G N -3.392 105.324 108.800 -0.140 0.000 2.194 227 G HA2 -0.253 3.666 3.960 -0.069 0.000 0.236 227 G HA3 -0.253 3.650 3.960 -0.096 0.000 0.236 227 G C 0.470 175.280 174.900 -0.150 0.000 0.987 227 G CA -0.433 44.600 45.100 -0.111 0.000 0.635 227 G HN -0.493 7.546 8.290 -0.119 0.179 0.520 228 G N 1.286 109.882 108.800 -0.340 0.000 2.667 228 G HA2 -0.137 3.654 3.960 -0.282 0.000 0.250 228 G HA3 -0.137 3.217 3.960 -1.102 -0.055 0.250 228 G C -2.047 172.881 174.900 0.046 0.000 1.212 228 G CA -0.507 44.349 45.100 -0.406 0.000 0.874 228 G HN -0.454 7.514 8.290 -0.445 0.055 0.561 229 D N -1.608 118.959 120.400 0.279 0.000 2.492 229 D HA 0.189 4.940 4.640 0.186 0.000 0.248 229 D C -0.803 175.683 176.300 0.311 0.000 1.101 229 D CA -0.755 53.390 54.000 0.242 0.000 0.840 229 D CB 0.968 41.869 40.800 0.168 0.000 1.209 229 D HN 0.063 8.671 8.370 0.397 0.000 0.524 230 L N 3.802 125.163 121.223 0.229 0.000 3.358 230 L HA 0.116 4.543 4.340 0.145 0.000 0.301 230 L C -0.824 176.135 176.870 0.149 0.000 1.276 230 L CA -0.965 53.959 54.840 0.141 0.000 1.028 230 L CB 0.954 43.037 42.059 0.041 0.000 1.421 230 L HN 0.267 8.615 8.230 0.198 0.000 0.604 231 K N 1.296 121.807 120.400 0.185 0.000 2.473 231 K HA -0.355 4.039 4.320 0.122 0.000 0.277 231 K C 0.715 177.467 176.600 0.254 0.000 1.052 231 K CA 2.386 58.772 56.287 0.165 0.000 1.114 231 K CB 0.104 32.680 32.500 0.126 0.000 0.869 231 K HN -0.430 8.233 8.250 0.181 -0.303 0.481 232 G N 4.746 113.656 108.800 0.183 0.000 2.199 232 G HA2 -0.340 3.709 3.960 0.148 0.000 0.254 232 G HA3 -0.340 3.779 3.960 0.265 0.000 0.254 232 G C -0.478 174.564 174.900 0.237 0.000 0.982 232 G CA -0.084 45.148 45.100 0.221 0.000 0.632 232 G HN 0.465 8.830 8.290 0.124 0.000 0.529 233 S N 1.809 117.541 115.700 0.053 0.000 2.562 233 S HA -0.028 4.183 4.470 -0.585 -0.092 0.281 233 S C -0.550 173.949 174.600 -0.168 0.000 1.333 233 S CA 0.036 58.016 58.200 -0.368 0.000 1.052 233 S CB 1.091 63.906 63.200 -0.641 0.000 0.884 233 S HN -0.425 7.860 8.310 0.065 0.065 0.506 234 K N 3.934 124.231 120.400 -0.172 0.000 2.550 234 K HA 0.287 4.569 4.320 -0.063 0.000 0.252 234 K C -1.677 174.889 176.600 -0.057 0.000 0.943 234 K CA -0.419 55.840 56.287 -0.047 0.000 0.806 234 K CB 3.807 36.367 32.500 0.101 0.000 1.289 234 K HN 0.200 8.299 8.250 -0.253 0.000 0.435 235 G N 2.542 111.320 108.800 -0.037 0.000 2.820 235 G HA2 0.613 4.536 3.960 -0.061 0.000 0.291 235 G HA3 0.613 4.547 3.960 -0.062 -0.012 0.291 235 G C -1.248 173.732 174.900 0.135 0.000 1.323 235 G CA -2.016 43.073 45.100 -0.018 0.000 1.055 235 G HN -0.158 8.096 8.290 -0.060 0.000 0.520 236 V N 1.654 121.651 119.914 0.137 0.000 2.479 236 V HA 0.031 4.306 4.120 0.259 0.000 0.281 236 V C -1.302 174.775 176.094 -0.028 0.000 1.031 236 V CA -1.826 60.576 62.300 0.169 0.000 1.038 236 V CB 0.096 32.054 31.823 0.225 0.000 0.981 236 V HN -0.041 8.202 8.190 0.089 0.000 0.478 237 P HA 0.001 4.211 4.420 -0.349 0.000 0.267 237 P C 0.114 177.418 177.300 0.006 0.000 1.200 237 P CA -0.042 62.896 63.100 -0.269 0.000 0.772 237 P CB 0.693 32.102 31.700 -0.486 0.000 0.855 238 F N 2.516 122.491 119.950 0.042 0.000 2.120 238 F HA -0.440 4.137 4.527 0.084 0.000 0.300 238 F C 1.871 177.745 175.800 0.124 0.000 1.095 238 F CA 3.786 61.833 58.000 0.077 0.000 1.249 238 F CB -0.743 38.288 39.000 0.050 0.000 0.995 238 F HN 0.455 8.593 8.300 -0.269 0.000 0.480 239 E N -1.361 119.037 120.200 0.329 0.000 2.110 239 E HA -0.270 4.214 4.350 0.223 0.000 0.193 239 E C 2.560 179.388 176.600 0.380 0.000 0.988 239 E CA 3.502 60.079 56.400 0.295 0.000 0.804 239 E CB -0.838 29.027 29.700 0.275 0.000 0.745 239 E HN 0.431 8.949 8.360 0.273 0.006 0.458 240 F N -0.854 119.181 119.950 0.143 0.000 2.186 240 F HA -0.200 4.484 4.527 0.262 0.000 0.299 240 F C 2.004 177.955 175.800 0.252 0.000 1.090 240 F CA 1.680 59.829 58.000 0.249 0.000 1.307 240 F CB -0.482 38.684 39.000 0.277 0.000 1.019 240 F HN -0.818 7.785 8.300 0.651 0.088 0.489 241 L N -1.121 120.342 121.223 0.400 0.000 2.012 241 L HA -0.558 3.948 4.340 0.276 0.000 0.210 241 L C 2.215 179.197 176.870 0.187 0.000 1.073 241 L CA 3.634 58.640 54.840 0.277 0.000 0.748 241 L CB -0.821 41.393 42.059 0.258 0.000 0.891 241 L HN -0.429 8.042 8.230 0.402 0.000 0.431 242 Q N -2.135 117.760 119.800 0.157 0.000 2.096 242 Q HA -0.445 3.934 4.340 0.066 0.000 0.204 242 Q C 2.813 178.816 176.000 0.005 0.000 0.982 242 Q CA 3.426 59.273 55.803 0.073 0.000 0.850 242 Q CB -0.263 28.512 28.738 0.061 0.000 0.901 242 Q HN -0.307 8.079 8.270 0.193 0.000 0.422 243 E N -0.825 119.339 120.200 -0.059 0.000 2.110 243 E HA -0.291 3.883 4.350 -0.292 0.000 0.193 243 E C 2.710 179.198 176.600 -0.187 0.000 0.988 243 E CA 2.949 59.161 56.400 -0.314 0.000 0.804 243 E CB -0.335 28.867 29.700 -0.829 0.000 0.745 243 E HN -0.401 7.954 8.360 -0.008 0.000 0.458 244 S N 0.594 116.362 115.700 0.113 0.000 2.368 244 S HA -0.240 4.432 4.470 0.338 0.000 0.225 244 S C 2.376 177.033 174.600 0.096 0.000 1.030 244 S CA 3.606 61.944 58.200 0.230 0.000 0.999 244 S CB -0.587 62.770 63.200 0.262 0.000 0.844 244 S HN -0.154 8.175 8.310 0.182 0.091 0.459 245 V N 2.334 122.284 119.914 0.059 0.000 2.343 245 V HA -0.419 3.921 4.120 0.023 -0.206 0.247 245 V C 2.810 178.908 176.094 0.008 0.000 1.051 245 V CA 3.921 66.239 62.300 0.029 0.000 1.036 245 V CB -0.278 31.567 31.823 0.036 0.000 0.654 245 V HN -0.370 7.860 8.190 0.068 0.000 0.451 246 K N -1.308 119.083 120.400 -0.015 0.000 2.147 246 K HA -0.253 4.051 4.320 -0.027 0.000 0.205 246 K C 1.956 178.538 176.600 -0.031 0.000 1.049 246 K CA 2.681 58.946 56.287 -0.038 0.000 0.936 246 K CB -0.294 32.159 32.500 -0.078 0.000 0.722 246 K HN -0.427 7.809 8.250 -0.024 0.000 0.446 247 G N -5.346 103.446 108.800 -0.013 0.000 2.744 247 G HA2 0.045 4.009 3.960 0.007 0.000 0.211 247 G HA3 0.045 4.044 3.960 0.065 0.000 0.211 247 G C -0.651 174.275 174.900 0.043 0.000 1.143 247 G CA -0.138 44.978 45.100 0.026 0.000 0.788 247 G HN -0.450 7.713 8.290 -0.008 0.122 0.534 248 G N -2.525 106.295 108.800 0.034 0.000 2.227 248 G HA2 -0.216 3.763 3.960 0.032 0.000 0.168 248 G HA3 -0.216 3.777 3.960 0.056 0.000 0.168 248 G C -0.739 174.182 174.900 0.034 0.000 1.006 248 G CA -0.579 44.545 45.100 0.041 0.000 0.684 248 G HN -0.653 7.492 8.290 0.025 0.160 0.489 249 I N 2.016 122.602 120.570 0.027 0.000 2.618 249 I HA -0.327 3.952 4.170 -0.010 -0.115 0.284 249 I C -0.887 175.197 176.117 -0.054 0.000 1.146 249 I CA 0.005 61.303 61.300 -0.004 0.000 1.425 249 I CB -1.717 36.296 38.000 0.021 0.000 1.383 249 I HN -0.271 7.965 8.210 0.042 0.000 0.562 250 N N 6.091 124.720 118.700 -0.119 0.000 2.193 250 N HA 0.286 5.084 4.740 -0.181 -0.166 0.210 250 N C -0.895 174.435 175.510 -0.300 0.000 1.215 250 N CA 0.329 53.259 53.050 -0.200 0.000 0.901 250 N CB 3.506 41.868 38.487 -0.209 0.000 1.060 250 N HN 0.700 9.003 8.380 -0.128 0.000 0.508 251 K N 1.382 121.580 120.400 -0.336 0.000 2.426 251 K HA 0.620 4.825 4.320 -0.510 -0.191 0.254 251 K C -2.602 173.792 176.600 -0.343 0.000 0.936 251 K CA -1.088 54.911 56.287 -0.481 0.000 0.801 251 K CB 3.495 35.551 32.500 -0.740 0.000 1.139 251 K HN -0.570 7.517 8.250 -0.271 0.000 0.424 252 V N 7.383 127.095 119.914 -0.338 0.000 2.340 252 V HA 0.314 4.442 4.120 -0.188 -0.121 0.277 252 V C -1.327 174.580 176.094 -0.311 0.000 1.017 252 V CA -1.496 60.658 62.300 -0.243 0.000 0.820 252 V CB 1.177 32.911 31.823 -0.148 0.000 1.028 252 V HN 0.249 8.206 8.190 -0.388 0.000 0.436 253 N N 9.145 127.671 118.700 -0.291 0.000 2.452 253 N HA 0.113 4.837 4.740 -0.319 -0.176 0.266 253 N C -0.984 174.443 175.510 -0.139 0.000 1.209 253 N CA 0.611 53.498 53.050 -0.271 0.000 0.929 253 N CB 0.332 38.624 38.487 -0.325 0.000 1.063 253 N HN 0.183 8.394 8.380 -0.282 0.000 0.472 254 T N 5.323 119.793 114.554 -0.140 0.000 2.937 254 T HA 0.288 4.663 4.350 0.041 0.000 0.297 254 T C -2.305 172.469 174.700 0.124 0.000 0.991 254 T CA 0.226 62.336 62.100 0.017 0.000 0.990 254 T CB 2.456 71.366 68.868 0.071 0.000 0.991 254 T HN 0.306 8.421 8.240 -0.208 0.000 0.440 255 D N 5.903 126.362 120.400 0.098 0.000 2.846 255 D HA 0.211 4.918 4.640 0.113 0.000 0.200 255 D C 0.655 176.981 176.300 0.044 0.000 1.421 255 D CA 1.687 55.733 54.000 0.076 0.000 1.400 255 D CB 1.041 41.853 40.800 0.021 0.000 1.461 255 D HN -0.303 8.115 8.370 0.080 0.000 0.352 256 T N 3.243 117.806 114.554 0.015 0.000 2.624 256 T HA -0.465 3.865 4.350 -0.034 0.000 0.268 256 T C 1.818 176.511 174.700 -0.012 0.000 1.041 256 T CA 5.260 67.349 62.100 -0.019 0.000 1.159 256 T CB -0.256 68.585 68.868 -0.045 0.000 0.863 256 T HN -0.073 8.176 8.240 0.015 0.000 0.434 257 D N 0.716 121.130 120.400 0.023 0.000 2.133 257 D HA -0.233 4.412 4.640 0.007 0.000 0.195 257 D C 2.251 178.588 176.300 0.061 0.000 0.997 257 D CA 3.355 57.379 54.000 0.041 0.000 0.840 257 D CB -0.419 40.437 40.800 0.092 0.000 0.947 257 D HN -0.474 7.920 8.370 0.040 0.000 0.452 258 L N -1.438 119.833 121.223 0.080 0.000 2.056 258 L HA -0.282 4.110 4.340 0.087 0.000 0.207 258 L C 2.090 179.019 176.870 0.099 0.000 1.078 258 L CA 3.239 58.129 54.840 0.084 0.000 0.749 258 L CB -0.502 41.602 42.059 0.074 0.000 0.901 258 L HN -0.641 7.645 8.230 0.093 0.000 0.433 259 R N -0.906 119.626 120.500 0.053 0.000 2.075 259 R HA -0.288 4.093 4.340 0.069 0.000 0.232 259 R C 2.756 179.127 176.300 0.118 0.000 1.126 259 R CA 3.513 59.650 56.100 0.061 0.000 0.963 259 R CB -0.316 29.980 30.300 -0.006 0.000 0.858 259 R HN -0.686 7.602 8.270 0.031 0.000 0.435 260 I N -0.447 120.138 120.570 0.024 0.000 2.226 260 I HA -0.506 3.610 4.170 -0.091 0.000 0.245 260 I C 1.474 177.680 176.117 0.148 0.000 1.100 260 I CA 3.977 65.254 61.300 -0.037 0.000 1.374 260 I CB -0.275 37.599 38.000 -0.211 0.000 1.057 260 I HN -0.275 7.929 8.210 -0.010 0.000 0.413 261 A N 0.066 122.971 122.820 0.141 0.000 1.877 261 A HA -0.325 4.084 4.320 0.148 0.000 0.216 261 A C 1.639 179.347 177.584 0.206 0.000 1.186 261 A CA 3.063 55.196 52.037 0.159 0.000 0.620 261 A CB -0.816 18.258 19.000 0.124 0.000 0.822 261 A HN -0.520 7.696 8.150 0.110 0.000 0.443 262 F N -0.004 120.001 119.950 0.093 0.000 2.075 262 F HA -0.298 4.440 4.527 0.108 -0.147 0.297 262 F C 1.563 177.462 175.800 0.164 0.000 1.113 262 F CA 3.371 61.437 58.000 0.111 0.000 1.218 262 F CB 0.889 39.935 39.000 0.076 0.000 0.984 262 F HN -0.531 7.992 8.300 0.372 0.000 0.472 263 I N -2.402 118.434 120.570 0.443 0.000 2.493 263 I HA -0.468 3.931 4.170 0.381 0.000 0.254 263 I C 1.868 178.151 176.117 0.277 0.000 1.160 263 I CA 1.115 62.646 61.300 0.384 0.000 1.445 263 I CB -1.670 36.580 38.000 0.417 0.000 1.086 263 I HN 0.037 8.521 8.210 0.458 0.000 0.433 264 A N 0.064 123.071 122.820 0.310 0.000 1.908 264 A HA -0.376 4.002 4.320 0.095 0.000 0.218 264 A C 1.838 179.458 177.584 0.059 0.000 1.181 264 A CA 3.674 55.824 52.037 0.187 0.000 0.627 264 A CB -0.855 18.291 19.000 0.243 0.000 0.818 264 A HN 0.076 8.426 8.150 0.358 0.015 0.445 265 E N -2.143 118.078 120.200 0.035 0.000 2.152 265 E HA -0.207 4.127 4.350 -0.026 0.000 0.192 265 E C 2.484 179.077 176.600 -0.013 0.000 0.983 265 E CA 2.234 58.618 56.400 -0.027 0.000 0.818 265 E CB -0.415 29.238 29.700 -0.079 0.000 0.758 265 E HN -0.603 7.782 8.360 0.042 0.000 0.467 266 V N 0.637 120.579 119.914 0.045 0.000 2.343 266 V HA -0.520 3.756 4.120 0.261 0.000 0.247 266 V C 2.041 178.254 176.094 0.198 0.000 1.051 266 V CA 4.591 67.012 62.300 0.201 0.000 1.036 266 V CB -0.335 31.661 31.823 0.289 0.000 0.654 266 V HN -0.703 7.504 8.190 0.029 0.000 0.451 267 R N -1.687 118.877 120.500 0.107 0.000 2.081 267 R HA -0.369 4.024 4.340 0.089 0.000 0.235 267 R C 2.016 178.324 176.300 0.014 0.000 1.131 267 R CA 3.894 60.025 56.100 0.051 0.000 0.960 267 R CB -0.313 29.956 30.300 -0.052 0.000 0.856 267 R HN -0.142 8.183 8.270 0.092 0.000 0.436 268 K N 0.143 120.531 120.400 -0.020 0.000 2.026 268 K HA -0.298 3.992 4.320 -0.050 0.000 0.208 268 K C 2.129 178.679 176.600 -0.083 0.000 1.048 268 K CA 3.378 59.635 56.287 -0.051 0.000 0.929 268 K CB -0.240 32.226 32.500 -0.056 0.000 0.713 268 K HN -0.624 7.616 8.250 -0.017 0.000 0.439 269 V N -0.875 118.957 119.914 -0.136 0.000 2.332 269 V HA -0.509 3.436 4.120 -0.290 0.000 0.248 269 V C 1.684 177.628 176.094 -0.250 0.000 1.055 269 V CA 3.981 66.090 62.300 -0.318 0.000 1.038 269 V CB -0.118 31.305 31.823 -0.668 0.000 0.651 269 V HN -0.471 7.652 8.190 -0.112 0.000 0.450 270 A N -1.352 121.467 122.820 -0.001 0.000 1.902 270 A HA -0.304 4.155 4.320 0.233 0.000 0.217 270 A C 2.492 180.108 177.584 0.052 0.000 1.181 270 A CA 3.015 55.151 52.037 0.165 0.000 0.623 270 A CB -0.538 18.624 19.000 0.270 0.000 0.818 270 A HN -0.388 7.811 8.150 0.082 0.000 0.443 271 N N -2.020 116.687 118.700 0.012 0.000 2.120 271 N HA -0.260 4.484 4.740 0.007 0.000 0.188 271 N C 1.872 177.368 175.510 -0.025 0.000 1.024 271 N CA 2.475 55.521 53.050 -0.007 0.000 0.852 271 N CB -0.236 38.238 38.487 -0.022 0.000 1.003 271 N HN -0.118 8.267 8.380 0.007 0.000 0.424 272 E N -3.128 117.039 120.200 -0.054 0.000 2.385 272 E HA -0.001 4.322 4.350 -0.046 0.000 0.194 272 E C -0.359 176.201 176.600 -0.066 0.000 1.013 272 E CA 1.108 57.471 56.400 -0.062 0.000 0.866 272 E CB 1.091 30.744 29.700 -0.079 0.000 0.832 272 E HN -0.504 7.813 8.360 -0.072 0.000 0.500 273 D N -0.885 119.469 120.400 -0.076 0.000 2.323 273 D HA 0.146 4.759 4.640 -0.046 0.000 0.242 273 D C -0.311 175.980 176.300 -0.016 0.000 1.347 273 D CA -0.958 53.004 54.000 -0.064 0.000 0.988 273 D CB 0.506 41.238 40.800 -0.113 0.000 1.314 273 D HN -0.636 7.683 8.370 -0.085 0.000 0.564 274 K N 4.441 124.852 120.400 0.018 0.000 2.362 274 K HA -0.112 4.256 4.320 0.080 0.000 0.200 274 K C 0.709 177.371 176.600 0.104 0.000 1.046 274 K CA 1.426 57.751 56.287 0.063 0.000 0.952 274 K CB -0.696 31.834 32.500 0.050 0.000 0.753 274 K HN 0.503 8.758 8.250 0.009 0.000 0.466 275 S N -2.488 113.257 115.700 0.076 0.000 2.556 275 S HA 0.046 4.633 4.470 0.195 0.000 0.216 275 S C -0.069 174.579 174.600 0.080 0.000 0.970 275 S CA -0.329 57.942 58.200 0.117 0.000 0.912 275 S CB 0.345 63.579 63.200 0.056 0.000 0.790 275 S HN -0.488 8.060 8.310 0.034 -0.217 0.504 276 Q N 3.316 123.144 119.800 0.047 0.000 2.295 276 Q HA -0.073 4.143 4.340 -0.207 0.000 0.259 276 Q C -0.787 175.355 176.000 0.237 0.000 0.976 276 Q CA 0.184 55.959 55.803 -0.046 0.000 0.923 276 Q CB 0.019 28.643 28.738 -0.190 0.000 1.185 276 Q HN -0.812 7.437 8.270 0.057 0.055 0.410 277 F N 1.108 121.165 119.950 0.179 0.000 2.837 277 F HA 0.342 5.053 4.527 0.307 0.000 0.328 277 F C -1.529 174.353 175.800 0.135 0.000 1.173 277 F CA -2.309 55.807 58.000 0.192 0.000 1.160 277 F CB 0.720 39.769 39.000 0.082 0.000 1.115 277 F HN -0.037 7.907 8.300 -0.592 0.000 0.512 278 D N 3.205 123.633 120.400 0.047 0.000 2.336 278 D HA 0.031 4.720 4.640 0.082 0.000 0.249 278 D C 0.664 177.046 176.300 0.136 0.000 1.213 278 D CA -0.590 53.442 54.000 0.054 0.000 0.870 278 D CB 1.064 41.831 40.800 -0.054 0.000 1.076 278 D HN -0.580 8.021 8.370 -0.065 -0.270 0.483 279 L N 5.610 126.883 121.223 0.083 0.000 2.081 279 L HA -0.413 3.751 4.340 -0.293 0.000 0.212 279 L C 1.553 178.367 176.870 -0.093 0.000 1.080 279 L CA 3.107 57.897 54.840 -0.084 0.000 0.754 279 L CB 0.047 42.175 42.059 0.115 0.000 0.893 279 L HN 0.564 8.856 8.230 0.102 0.000 0.433 280 R N -2.590 117.954 120.500 0.074 0.000 2.120 280 R HA -0.399 4.065 4.340 0.206 0.000 0.234 280 R C 2.335 178.655 176.300 0.034 0.000 1.123 280 R CA 3.698 59.866 56.100 0.113 0.000 0.975 280 R CB -0.484 29.881 30.300 0.109 0.000 0.866 280 R HN -0.244 8.322 8.270 0.088 -0.243 0.446 281 K N -1.585 118.799 120.400 -0.028 0.000 2.211 281 K HA -0.225 4.028 4.320 -0.111 0.000 0.203 281 K C 1.464 177.916 176.600 -0.246 0.000 1.050 281 K CA 2.304 58.508 56.287 -0.137 0.000 0.945 281 K CB -0.489 31.888 32.500 -0.205 0.000 0.732 281 K HN -0.598 7.635 8.250 -0.009 0.012 0.451 282 F N -2.674 117.082 119.950 -0.324 0.000 2.219 282 F HA -0.202 4.172 4.527 -0.255 0.000 0.294 282 F C 1.733 177.384 175.800 -0.249 0.000 1.086 282 F CA 3.680 61.444 58.000 -0.395 0.000 1.330 282 F CB 0.669 39.219 39.000 -0.750 0.000 1.047 282 F HN -0.724 7.465 8.300 0.015 0.121 0.495 283 F N -3.351 116.694 119.950 0.158 0.000 2.698 283 F HA -0.025 4.432 4.527 -0.118 0.000 0.295 283 F C 1.846 177.651 175.800 0.009 0.000 1.124 283 F CA -0.525 57.505 58.000 0.050 0.000 1.426 283 F CB -0.858 38.270 39.000 0.214 0.000 1.120 283 F HN -0.200 8.054 8.300 -0.076 0.000 0.583 284 S N 1.055 116.858 115.700 0.171 0.000 2.348 284 S HA -0.084 4.465 4.470 0.133 0.000 0.221 284 S C -0.768 173.851 174.600 0.032 0.000 1.033 284 S CA 5.280 63.540 58.200 0.100 0.000 1.010 284 S CB -2.719 60.520 63.200 0.065 0.000 0.891 284 S HN 0.014 8.408 8.310 0.140 0.000 0.442 285 P HA -0.124 4.277 4.420 -0.032 0.000 0.217 285 P C 0.582 177.835 177.300 -0.078 0.000 1.150 285 P CA 2.324 65.396 63.100 -0.048 0.000 0.832 285 P CB -0.609 31.044 31.700 -0.078 0.000 0.787 286 A N -2.661 120.058 122.820 -0.168 0.000 1.902 286 A HA -0.292 3.837 4.320 -0.318 0.000 0.217 286 A C 2.133 179.603 177.584 -0.189 0.000 1.181 286 A CA 2.991 54.774 52.037 -0.424 0.000 0.623 286 A CB -0.718 17.560 19.000 -1.203 0.000 0.818 286 A HN -0.641 7.423 8.150 -0.144 0.000 0.443 287 Q N -1.279 118.514 119.800 -0.011 0.000 2.096 287 Q HA -0.356 4.140 4.340 0.259 0.000 0.204 287 Q C 2.446 178.488 176.000 0.070 0.000 0.982 287 Q CA 3.173 59.059 55.803 0.138 0.000 0.850 287 Q CB -0.032 28.781 28.738 0.125 0.000 0.901 287 Q HN -0.239 8.026 8.270 -0.008 0.000 0.422 288 L N -0.569 120.672 121.223 0.030 0.000 2.046 288 L HA -0.298 4.052 4.340 0.016 0.000 0.208 288 L C 1.074 177.954 176.870 0.015 0.000 1.077 288 L CA 3.002 57.852 54.840 0.016 0.000 0.747 288 L CB -0.419 41.644 42.059 0.007 0.000 0.896 288 L HN -0.549 7.611 8.230 0.019 0.082 0.432 289 A N -1.397 121.434 122.820 0.018 0.000 1.933 289 A HA -0.334 4.000 4.320 0.024 0.000 0.218 289 A C 1.788 179.404 177.584 0.052 0.000 1.175 289 A CA 3.110 55.166 52.037 0.032 0.000 0.628 289 A CB -0.750 18.270 19.000 0.034 0.000 0.814 289 A HN -0.387 7.767 8.150 0.006 0.000 0.444 290 L N -1.072 120.205 121.223 0.090 0.000 2.027 290 L HA -0.404 3.991 4.340 0.092 0.000 0.206 290 L C 1.470 178.335 176.870 -0.008 0.000 1.074 290 L CA 2.864 57.759 54.840 0.092 0.000 0.745 290 L CB -0.148 42.033 42.059 0.202 0.000 0.898 290 L HN -0.427 7.868 8.230 0.109 0.000 0.433 291 K N -0.950 119.440 120.400 -0.016 0.000 2.074 291 K HA -0.448 3.799 4.320 -0.120 0.000 0.209 291 K C 2.100 178.653 176.600 -0.077 0.000 1.048 291 K CA 3.454 59.698 56.287 -0.072 0.000 0.926 291 K CB -0.353 32.119 32.500 -0.046 0.000 0.713 291 K HN 0.166 8.425 8.250 0.015 0.000 0.444 292 N N -1.496 117.182 118.700 -0.036 0.000 2.270 292 N HA -0.161 4.554 4.740 -0.041 0.000 0.181 292 N C 2.404 177.897 175.510 -0.028 0.000 1.016 292 N CA 2.520 55.552 53.050 -0.030 0.000 0.870 292 N CB -0.245 38.238 38.487 -0.008 0.000 0.979 292 N HN -0.539 7.733 8.380 -0.016 0.098 0.431 293 V N 1.169 121.075 119.914 -0.013 0.000 2.343 293 V HA -0.485 3.655 4.120 0.034 0.000 0.247 293 V C 1.399 177.471 176.094 -0.038 0.000 1.051 293 V CA 4.600 66.905 62.300 0.008 0.000 1.036 293 V CB 0.008 31.854 31.823 0.039 0.000 0.654 293 V HN -0.464 7.724 8.190 -0.005 0.000 0.451 294 V N -0.201 119.625 119.914 -0.147 0.000 2.379 294 V HA -0.569 3.378 4.120 -0.289 0.000 0.245 294 V C 1.632 177.618 176.094 -0.181 0.000 1.044 294 V CA 4.550 66.659 62.300 -0.317 0.000 1.036 294 V CB -0.378 31.044 31.823 -0.668 0.000 0.664 294 V HN -0.528 7.570 8.190 -0.154 0.000 0.453 295 K N -0.023 120.293 120.400 -0.140 0.000 2.009 295 K HA -0.357 3.903 4.320 -0.099 0.000 0.210 295 K C 2.534 179.094 176.600 -0.067 0.000 1.049 295 K CA 3.727 59.957 56.287 -0.095 0.000 0.929 295 K CB -0.302 32.150 32.500 -0.079 0.000 0.714 295 K HN -0.111 8.056 8.250 -0.139 0.000 0.440 296 E N -1.842 118.319 120.200 -0.065 0.000 2.077 296 E HA -0.292 4.001 4.350 -0.095 0.000 0.193 296 E C 2.707 179.251 176.600 -0.094 0.000 0.989 296 E CA 2.627 58.973 56.400 -0.089 0.000 0.800 296 E CB -0.482 29.161 29.700 -0.096 0.000 0.746 296 E HN -0.637 7.687 8.360 -0.060 0.000 0.452 297 R N -0.221 120.264 120.500 -0.024 0.000 2.092 297 R HA -0.189 4.144 4.340 -0.010 0.000 0.231 297 R C 2.503 178.843 176.300 0.066 0.000 1.119 297 R CA 2.056 58.184 56.100 0.047 0.000 0.970 297 R CB -0.577 29.843 30.300 0.201 0.000 0.864 297 R HN -0.560 7.707 8.270 -0.006 0.000 0.440 298 M N -0.684 118.957 119.600 0.069 0.000 2.108 298 M HA -0.403 4.139 4.480 0.105 0.000 0.261 298 M C 2.632 178.930 176.300 -0.004 0.000 1.066 298 M CA 4.218 59.552 55.300 0.056 0.000 1.107 298 M CB -0.059 32.553 32.600 0.020 0.000 1.356 298 M HN -0.024 8.295 8.290 0.048 0.000 0.406 299 K N -1.657 118.719 120.400 -0.040 0.000 2.057 299 K HA -0.352 3.932 4.320 -0.060 0.000 0.207 299 K C 2.605 179.167 176.600 -0.064 0.000 1.049 299 K CA 2.902 59.152 56.287 -0.062 0.000 0.931 299 K CB -0.141 32.312 32.500 -0.078 0.000 0.714 299 K HN -0.597 7.625 8.250 -0.046 0.000 0.440 300 L N -0.890 120.283 121.223 -0.085 0.000 2.046 300 L HA -0.292 3.986 4.340 -0.103 0.000 0.208 300 L C 1.079 177.938 176.870 -0.018 0.000 1.077 300 L CA 2.798 57.584 54.840 -0.090 0.000 0.747 300 L CB 0.080 42.040 42.059 -0.166 0.000 0.896 300 L HN -0.433 7.739 8.230 -0.097 0.000 0.432 301 L N -6.613 114.618 121.223 0.014 0.000 2.492 301 L HA -0.083 4.289 4.340 0.052 0.000 0.223 301 L C 0.420 177.332 176.870 0.070 0.000 1.132 301 L CA 0.428 55.298 54.840 0.050 0.000 0.850 301 L CB 0.347 42.443 42.059 0.062 0.000 0.966 301 L HN -0.336 7.903 8.230 0.014 0.000 0.454 302 G N -3.429 105.384 108.800 0.021 0.000 2.157 302 G HA2 -0.460 3.465 3.960 -0.058 0.000 0.239 302 G HA3 -0.460 3.514 3.960 0.023 0.000 0.239 302 G C 0.090 174.900 174.900 -0.150 0.000 0.982 302 G CA 0.785 45.870 45.100 -0.024 0.000 0.650 302 G HN -0.290 7.963 8.290 -0.002 0.036 0.527 303 S N -0.086 115.574 115.700 -0.066 0.000 2.501 303 S HA -0.066 4.130 4.470 -0.458 0.000 0.220 303 S C 0.357 174.854 174.600 -0.172 0.000 0.997 303 S CA 0.232 58.342 58.200 -0.151 0.000 0.919 303 S CB 0.077 63.333 63.200 0.094 0.000 0.778 303 S HN -0.568 7.748 8.310 0.011 0.000 0.523 304 A N 1.933 124.683 122.820 -0.116 0.000 2.531 304 A HA -0.305 4.081 4.320 -0.079 -0.114 0.236 304 A C -0.182 177.324 177.584 -0.131 0.000 1.062 304 A CA 1.009 52.986 52.037 -0.099 0.000 0.760 304 A CB -0.113 18.841 19.000 -0.075 0.000 0.995 304 A HN -0.861 7.207 8.150 -0.091 0.028 0.501 305 N N -0.260 118.383 118.700 -0.095 0.000 2.740 305 N HA -0.339 4.401 4.740 -0.058 -0.035 0.248 305 N C -0.422 175.016 175.510 -0.119 0.000 1.062 305 N CA 1.835 54.834 53.050 -0.086 0.000 0.704 305 N CB -2.039 36.402 38.487 -0.077 0.000 0.968 305 N HN 0.308 8.643 8.380 -0.074 0.000 0.547 306 K N -4.415 115.903 120.400 -0.137 0.000 2.414 306 K HA 0.233 4.456 4.320 -0.161 0.000 0.204 306 K C -0.789 175.781 176.600 -0.050 0.000 1.026 306 K CA -1.716 54.476 56.287 -0.158 0.000 1.108 306 K CB 0.143 32.446 32.500 -0.329 0.000 0.855 306 K HN -0.343 7.836 8.250 -0.118 0.000 0.517 307 I N 0.000 120.559 120.570 -0.019 0.000 2.984 307 I HA 0.000 4.189 4.170 0.031 0.000 0.288 307 I CA 0.000 61.316 61.300 0.026 0.000 1.566 307 I CB 0.000 38.037 38.000 0.062 0.000 1.214 307 I HN 0.000 8.138 8.210 -0.026 0.056 0.494