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 1l6n_1_A DATA FIRST_RESID 2 DATA SEQUENCE GARASVLSGG ELDKWEKIRL RPGGKKQYKL KHIVWASREL ERFAVNPGLL DATA SEQUENCE ETSEGCRQIL GQLQPSLQTG SEELRSLYNT IAVLYCVHQR IDVKDTKEAL DATA SEQUENCE DKIEEEQNKS KKKAQQAAAD TGNNSQVSQN YPIVQNLQGQ MVHQAISPRT DATA SEQUENCE LNAWVKVVEE KAFSPEVIPM FSALSEGATP QDLNTMLNTV GGHQAAMQML DATA SEQUENCE KETINEEAAE WDRLHPVHAG PIAPGQMREP RGSDIAGTTS TLQEQIGWMT DATA SEQUENCE HNPPIPVGEI YKRWIILGLN KIVRMYSPTS ILHHHHHH 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.966 3.960 0.011 0.000 0.244 2 G C 0.000 174.907 174.900 0.012 0.000 0.946 2 G CA 0.000 45.107 45.100 0.012 0.000 0.502 3 A N 0.378 123.206 122.820 0.013 0.000 6.848 3 A HA -0.293 4.035 4.320 0.014 0.000 0.247 3 A C -0.978 176.613 177.584 0.011 0.000 2.199 3 A CA 0.138 52.182 52.037 0.012 0.000 0.681 3 A CB 0.365 19.371 19.000 0.010 0.000 1.069 3 A HN -0.229 7.930 8.150 0.015 0.000 0.381 4 R N -3.476 117.030 120.500 0.009 0.000 1.324 4 R HA -0.318 4.026 4.340 0.006 0.000 0.410 4 R C -1.527 174.778 176.300 0.008 0.000 1.331 4 R CA 0.423 56.528 56.100 0.007 0.000 1.209 4 R CB -0.446 29.858 30.300 0.006 0.000 3.484 4 R HN 0.161 8.436 8.270 0.009 0.000 0.489 5 A N 1.653 124.476 122.820 0.006 0.000 2.483 5 A HA 0.226 4.548 4.320 0.003 0.000 0.294 5 A C -1.938 175.645 177.584 -0.002 0.000 1.077 5 A CA -0.266 51.773 52.037 0.004 0.000 0.633 5 A CB 1.832 20.838 19.000 0.009 0.000 1.318 5 A HN -0.188 7.964 8.150 0.004 0.000 0.455 6 S N -0.429 115.267 115.700 -0.008 0.000 2.305 6 S HA 0.090 4.554 4.470 -0.010 0.000 0.208 6 S C -2.287 172.298 174.600 -0.024 0.000 0.797 6 S CA -0.149 58.044 58.200 -0.013 0.000 1.007 6 S CB 1.281 64.475 63.200 -0.010 0.000 1.334 6 S HN -0.065 8.239 8.310 -0.010 0.000 0.380 7 V N 1.176 121.069 119.914 -0.034 0.000 4.655 7 V HA 0.085 4.176 4.120 -0.048 0.000 0.145 7 V C -1.555 174.498 176.094 -0.068 0.000 1.292 7 V CA 0.325 62.589 62.300 -0.061 0.000 1.119 7 V CB 1.212 32.978 31.823 -0.094 0.000 1.286 7 V HN 0.061 8.234 8.190 -0.028 0.000 0.626 8 L N -2.376 118.797 121.223 -0.083 0.000 2.352 8 L HA 0.203 4.491 4.340 -0.087 0.000 0.269 8 L C -0.229 176.626 176.870 -0.025 0.000 1.034 8 L CA -1.313 53.479 54.840 -0.080 0.000 0.806 8 L CB 1.435 43.423 42.059 -0.119 0.000 1.244 8 L HN -0.504 7.682 8.230 -0.074 0.000 0.447 9 S N 0.556 116.248 115.700 -0.013 0.000 2.686 9 S HA 0.099 4.571 4.470 0.003 0.000 0.270 9 S C 1.735 176.343 174.600 0.014 0.000 1.194 9 S CA -0.844 57.357 58.200 0.003 0.000 0.990 9 S CB 2.601 65.804 63.200 0.006 0.000 1.029 9 S HN 0.050 8.345 8.310 -0.023 0.000 0.560 10 G N 0.816 109.625 108.800 0.015 0.000 2.480 10 G HA2 -0.230 3.745 3.960 0.024 0.000 0.216 10 G HA3 -0.230 3.740 3.960 0.017 0.000 0.216 10 G C 1.230 176.145 174.900 0.026 0.000 1.200 10 G CA 1.912 47.025 45.100 0.021 0.000 0.782 10 G HN 0.382 8.679 8.290 0.011 0.000 0.554 11 G N 0.713 109.525 108.800 0.020 0.000 2.396 11 G HA2 -0.179 3.795 3.960 0.023 0.000 0.214 11 G HA3 -0.179 3.790 3.960 0.015 0.000 0.214 11 G C 1.174 176.090 174.900 0.027 0.000 1.166 11 G CA 0.893 46.006 45.100 0.021 0.000 0.793 11 G HN -0.454 7.845 8.290 0.015 0.000 0.533 12 E N 2.332 122.543 120.200 0.018 0.000 2.085 12 E HA -0.334 4.021 4.350 0.008 0.000 0.194 12 E C 2.032 178.661 176.600 0.049 0.000 0.994 12 E CA 2.797 59.202 56.400 0.009 0.000 0.801 12 E CB 0.088 29.774 29.700 -0.023 0.000 0.743 12 E HN -0.616 7.752 8.360 0.012 0.000 0.453 13 L N -0.566 120.693 121.223 0.060 0.000 2.056 13 L HA -0.267 4.177 4.340 0.173 0.000 0.207 13 L C 1.363 178.328 176.870 0.159 0.000 1.078 13 L CA 2.964 57.881 54.840 0.128 0.000 0.749 13 L CB -0.296 41.819 42.059 0.093 0.000 0.901 13 L HN 0.222 8.346 8.230 0.038 0.129 0.433 14 D N -2.053 118.402 120.400 0.093 0.000 2.182 14 D HA -0.321 4.362 4.640 0.072 0.000 0.201 14 D C 2.248 178.589 176.300 0.068 0.000 0.986 14 D CA 3.523 57.565 54.000 0.070 0.000 0.847 14 D CB -0.170 40.656 40.800 0.042 0.000 0.942 14 D HN -0.529 7.806 8.370 0.068 0.076 0.467 15 K N -1.441 119.008 120.400 0.081 0.000 2.044 15 K HA -0.169 4.177 4.320 0.045 0.000 0.204 15 K C 0.869 177.538 176.600 0.115 0.000 1.049 15 K CA 2.438 58.769 56.287 0.074 0.000 0.945 15 K CB 0.246 32.780 32.500 0.057 0.000 0.724 15 K HN -0.442 7.728 8.250 0.082 0.129 0.440 16 W N 0.358 121.643 121.300 -0.024 0.000 2.332 16 W HA -0.322 4.312 4.660 -0.042 0.000 0.321 16 W C 1.138 177.707 176.519 0.084 0.000 1.219 16 W CA 1.808 59.138 57.345 -0.025 0.000 1.277 16 W CB 0.473 29.875 29.460 -0.096 0.000 1.161 16 W HN -0.416 7.858 8.180 0.278 0.073 0.476 17 E N -2.545 117.637 120.200 -0.029 0.000 2.267 17 E HA -0.272 4.094 4.350 -0.275 -0.181 0.197 17 E C 2.123 178.662 176.600 -0.101 0.000 0.998 17 E CA 2.407 58.742 56.400 -0.109 0.000 0.830 17 E CB -0.154 29.576 29.700 0.049 0.000 0.751 17 E HN -0.030 8.358 8.360 0.217 0.102 0.491 18 K N -1.348 119.022 120.400 -0.051 0.000 3.226 18 K HA 0.052 4.340 4.320 -0.053 0.000 0.268 18 K C -1.936 174.625 176.600 -0.066 0.000 1.217 18 K CA -0.818 55.442 56.287 -0.045 0.000 1.242 18 K CB -1.789 30.706 32.500 -0.009 0.000 1.389 18 K HN -0.572 7.571 8.250 -0.003 0.105 0.406 19 I N -0.329 120.167 120.570 -0.124 0.000 2.571 19 I HA 0.365 4.702 4.170 -0.097 -0.225 0.286 19 I C -1.860 174.087 176.117 -0.282 0.000 1.134 19 I CA -1.268 59.953 61.300 -0.131 0.000 1.052 19 I CB 4.258 42.236 38.000 -0.037 0.000 1.237 19 I HN -0.325 7.686 8.210 -0.170 0.097 0.435 20 R N 5.716 126.065 120.500 -0.252 0.000 2.491 20 R HA 0.295 4.565 4.340 -0.339 -0.134 0.283 20 R C -0.520 175.496 176.300 -0.473 0.000 1.072 20 R CA 0.005 55.914 56.100 -0.319 0.000 1.048 20 R CB 0.625 30.805 30.300 -0.200 0.000 0.983 20 R HN 0.498 8.665 8.270 -0.170 0.000 0.450 21 L N 2.288 123.147 121.223 -0.606 0.000 2.483 21 L HA -0.034 3.711 4.340 -0.993 0.000 0.159 21 L C 1.046 177.702 176.870 -0.356 0.000 1.273 21 L CA 0.864 55.294 54.840 -0.684 0.000 2.526 21 L CB -0.229 41.423 42.059 -0.678 0.000 2.598 21 L HN 0.647 8.450 8.230 -0.531 0.108 0.766 22 R N -1.994 118.344 120.500 -0.269 0.000 2.679 22 R HA 0.002 4.261 4.340 -0.135 0.000 0.269 22 R C -1.860 174.358 176.300 -0.136 0.000 1.076 22 R CA -1.342 54.661 56.100 -0.160 0.000 1.160 22 R CB -1.334 28.891 30.300 -0.124 0.000 1.054 22 R HN 0.039 8.133 8.270 -0.293 0.000 0.507 23 P HA -0.017 4.351 4.420 -0.087 0.000 0.282 23 P C 0.232 177.490 177.300 -0.070 0.000 1.262 23 P CA 0.292 63.345 63.100 -0.079 0.000 0.773 23 P CB -0.604 31.060 31.700 -0.059 0.000 0.879 24 G N 4.948 113.707 108.800 -0.069 0.000 2.176 24 G HA2 -0.240 3.689 3.960 -0.052 0.000 0.232 24 G HA3 -0.240 3.690 3.960 -0.051 0.000 0.232 24 G C 0.030 174.891 174.900 -0.065 0.000 0.986 24 G CA -0.353 44.712 45.100 -0.059 0.000 0.643 24 G HN 0.503 8.749 8.290 -0.074 0.000 0.522 25 G N -0.440 108.309 108.800 -0.085 0.000 2.510 25 G HA2 0.009 3.924 3.960 -0.075 0.000 0.212 25 G HA3 0.009 3.901 3.960 -0.113 0.000 0.212 25 G C -0.281 174.565 174.900 -0.090 0.000 1.151 25 G CA -0.195 44.850 45.100 -0.092 0.000 0.817 25 G HN -0.419 7.754 8.290 -0.098 0.058 0.534 26 K N -2.784 117.555 120.400 -0.101 0.000 3.162 26 K HA -0.501 3.759 4.320 -0.099 0.000 0.268 26 K C -1.478 175.062 176.600 -0.101 0.000 1.062 26 K CA 0.416 56.647 56.287 -0.093 0.000 0.769 26 K CB -1.534 30.926 32.500 -0.067 0.000 1.274 26 K HN 0.150 8.334 8.250 -0.111 0.000 0.478 27 K N -1.238 119.077 120.400 -0.142 0.000 2.371 27 K HA 0.300 4.562 4.320 -0.097 0.000 0.251 27 K C -1.761 174.708 176.600 -0.218 0.000 0.934 27 K CA -0.995 55.206 56.287 -0.143 0.000 0.798 27 K CB 2.994 35.419 32.500 -0.125 0.000 1.204 27 K HN -0.125 8.020 8.250 -0.176 0.000 0.427 28 Q N 2.814 122.517 119.800 -0.161 0.000 2.274 28 Q HA 0.251 4.410 4.340 -0.302 0.000 0.260 28 Q C -0.340 175.564 176.000 -0.159 0.000 0.974 28 Q CA -0.774 54.910 55.803 -0.199 0.000 0.876 28 Q CB 2.291 30.961 28.738 -0.114 0.000 1.297 28 Q HN 0.311 8.526 8.270 -0.090 0.000 0.446 29 Y N 3.102 123.195 120.300 -0.345 0.000 2.578 29 Y HA -0.146 4.276 4.550 -0.212 0.000 0.339 29 Y C 0.464 176.300 175.900 -0.108 0.000 1.231 29 Y CA 1.389 59.230 58.100 -0.431 0.000 1.461 29 Y CB 0.341 37.949 38.460 -1.419 0.000 1.323 29 Y HN -0.217 7.819 8.280 -0.406 0.000 0.590 30 K N 0.112 120.830 120.400 0.530 0.000 2.495 30 K HA 0.258 4.784 4.320 0.344 0.000 0.268 30 K C 0.661 177.605 176.600 0.573 0.000 1.008 30 K CA -1.811 54.736 56.287 0.433 0.000 0.882 30 K CB 3.384 36.022 32.500 0.230 0.000 1.443 30 K HN -0.067 8.698 8.250 0.859 0.000 0.447 31 L N 4.042 125.467 121.223 0.337 0.000 2.191 31 L HA -0.225 4.229 4.340 0.189 0.000 0.212 31 L C 1.158 178.131 176.870 0.172 0.000 1.103 31 L CA 2.681 57.647 54.840 0.210 0.000 0.769 31 L CB -0.710 41.418 42.059 0.115 0.000 0.908 31 L HN 0.512 8.892 8.230 0.251 0.000 0.438 32 K N -1.732 118.754 120.400 0.143 0.000 2.057 32 K HA -0.287 4.081 4.320 0.080 0.000 0.207 32 K C 2.384 179.071 176.600 0.146 0.000 1.049 32 K CA 3.261 59.590 56.287 0.070 0.000 0.931 32 K CB -0.844 31.626 32.500 -0.049 0.000 0.714 32 K HN 0.471 8.781 8.250 0.135 0.021 0.440 33 H N 0.300 119.544 119.070 0.291 0.000 2.387 33 H HA -0.240 4.491 4.556 0.292 0.000 0.299 33 H C 2.737 178.289 175.328 0.372 0.000 1.090 33 H CA 3.328 59.597 56.048 0.368 0.000 1.332 33 H CB 0.001 30.065 29.762 0.504 0.000 1.386 33 H HN -0.639 7.718 8.280 0.276 0.088 0.516 34 I N 0.019 120.794 120.570 0.340 0.000 2.142 34 I HA -0.537 3.581 4.170 -0.086 0.000 0.240 34 I C 1.566 177.726 176.117 0.073 0.000 1.078 34 I CA 4.279 65.588 61.300 0.014 0.000 1.343 34 I CB -0.277 37.564 38.000 -0.265 0.000 1.046 34 I HN -0.443 7.889 8.210 0.377 0.105 0.405 35 V N -0.419 119.560 119.914 0.109 0.000 2.287 35 V HA -0.494 3.644 4.120 0.030 0.000 0.248 35 V C 1.979 178.158 176.094 0.141 0.000 1.053 35 V CA 4.753 67.107 62.300 0.090 0.000 1.027 35 V CB -0.610 31.264 31.823 0.086 0.000 0.646 35 V HN 0.102 8.366 8.190 0.123 0.000 0.447 36 W N 0.304 121.636 121.300 0.054 0.000 2.363 36 W HA -0.471 4.221 4.660 0.052 0.000 0.296 36 W C 1.196 177.758 176.519 0.071 0.000 1.212 36 W CA 4.363 61.752 57.345 0.073 0.000 1.260 36 W CB -0.152 29.375 29.460 0.112 0.000 1.131 36 W HN 0.203 8.628 8.180 0.409 0.000 0.530 37 A N -1.829 121.219 122.820 0.379 0.000 1.865 37 A HA -0.501 3.946 4.320 0.213 0.000 0.217 37 A C 2.251 179.794 177.584 -0.070 0.000 1.191 37 A CA 3.195 55.340 52.037 0.180 0.000 0.623 37 A CB -1.070 18.042 19.000 0.187 0.000 0.826 37 A HN 0.378 8.599 8.150 0.464 0.207 0.444 38 S N -1.552 114.118 115.700 -0.049 0.000 2.399 38 S HA -0.459 3.965 4.470 -0.077 0.000 0.231 38 S C 2.101 176.633 174.600 -0.112 0.000 1.022 38 S CA 3.386 61.540 58.200 -0.076 0.000 0.983 38 S CB -0.118 63.049 63.200 -0.055 0.000 0.803 38 S HN 0.173 8.376 8.310 -0.006 0.104 0.480 39 R N 1.022 121.430 120.500 -0.153 0.000 2.081 39 R HA -0.328 3.938 4.340 -0.122 0.000 0.235 39 R C 2.348 178.484 176.300 -0.274 0.000 1.131 39 R CA 3.660 59.641 56.100 -0.198 0.000 0.960 39 R CB -0.026 30.136 30.300 -0.231 0.000 0.856 39 R HN 0.265 8.252 8.270 -0.122 0.210 0.436 40 E N -0.283 119.652 120.200 -0.442 0.000 2.150 40 E HA -0.233 3.879 4.350 -0.396 0.000 0.193 40 E C 2.395 178.896 176.600 -0.165 0.000 0.985 40 E CA 2.490 58.641 56.400 -0.414 0.000 0.814 40 E CB -0.661 28.660 29.700 -0.632 0.000 0.752 40 E HN -0.293 7.651 8.360 -0.542 0.090 0.466 41 L N -1.035 120.112 121.223 -0.127 0.000 2.017 41 L HA -0.395 3.948 4.340 0.004 0.000 0.208 41 L C 2.065 178.959 176.870 0.040 0.000 1.073 41 L CA 3.243 58.070 54.840 -0.022 0.000 0.745 41 L CB -0.395 41.640 42.059 -0.040 0.000 0.894 41 L HN -0.530 7.492 8.230 -0.162 0.111 0.432 42 E N -0.834 119.354 120.200 -0.019 0.000 2.160 42 E HA -0.308 4.278 4.350 0.003 -0.235 0.195 42 E C 3.374 179.972 176.600 -0.003 0.000 0.991 42 E CA 2.738 59.131 56.400 -0.012 0.000 0.810 42 E CB -0.323 29.355 29.700 -0.036 0.000 0.742 42 E HN -0.329 7.996 8.360 -0.059 0.000 0.466 43 R N -1.841 118.653 120.500 -0.010 0.000 2.115 43 R HA -0.189 4.141 4.340 -0.016 0.000 0.226 43 R C 1.457 177.794 176.300 0.062 0.000 1.100 43 R CA 2.415 58.516 56.100 0.001 0.000 0.980 43 R CB -0.034 30.247 30.300 -0.031 0.000 0.875 43 R HN -0.587 7.532 8.270 -0.045 0.124 0.445 44 F N 0.150 120.062 119.950 -0.063 0.000 2.802 44 F HA -0.098 4.409 4.527 -0.034 0.000 0.300 44 F C -0.610 175.170 175.800 -0.033 0.000 1.168 44 F CA -0.465 57.510 58.000 -0.041 0.000 1.433 44 F CB 0.410 39.387 39.000 -0.039 0.000 1.115 44 F HN -0.604 7.677 8.300 0.207 0.143 0.582 45 A N -3.092 119.704 122.820 -0.041 0.000 2.996 45 A HA -0.384 3.902 4.320 -0.057 0.000 0.257 45 A C -1.491 176.071 177.584 -0.036 0.000 1.394 45 A CA 0.757 52.739 52.037 -0.091 0.000 0.820 45 A CB -2.329 16.555 19.000 -0.194 0.000 1.054 45 A HN -0.504 7.449 8.150 0.016 0.206 0.619 46 V N -3.462 116.489 119.914 0.061 0.000 2.864 46 V HA 0.179 4.329 4.120 0.049 0.000 0.314 46 V C -1.941 174.177 176.094 0.040 0.000 1.073 46 V CA -2.604 59.747 62.300 0.086 0.000 0.956 46 V CB 3.893 35.845 31.823 0.215 0.000 1.023 46 V HN -0.659 7.584 8.190 0.090 0.000 0.435 47 N N 7.128 125.841 118.700 0.021 0.000 2.447 47 N HA 0.039 4.777 4.740 -0.004 0.000 0.263 47 N C -0.380 175.127 175.510 -0.005 0.000 1.226 47 N CA -0.450 52.601 53.050 0.001 0.000 0.906 47 N CB -0.123 38.361 38.487 -0.005 0.000 1.060 47 N HN 0.309 8.703 8.380 0.023 0.000 0.468 48 P HA 0.052 4.454 4.420 -0.030 0.000 0.231 48 P C 0.971 178.253 177.300 -0.031 0.000 1.168 48 P CA 1.371 64.455 63.100 -0.027 0.000 0.779 48 P CB 0.405 32.086 31.700 -0.032 0.000 0.844 49 G N -1.678 107.106 108.800 -0.026 0.000 2.679 49 G HA2 -0.094 3.847 3.960 -0.031 0.000 0.212 49 G HA3 -0.094 3.850 3.960 -0.026 0.000 0.212 49 G C 0.748 175.628 174.900 -0.034 0.000 1.137 49 G CA 0.907 45.989 45.100 -0.029 0.000 0.787 49 G HN 0.404 8.649 8.290 -0.021 0.033 0.534 50 L N -0.923 120.281 121.223 -0.032 0.000 2.291 50 L HA -0.164 4.151 4.340 -0.042 0.000 0.214 50 L C 0.761 177.604 176.870 -0.045 0.000 1.120 50 L CA 1.095 55.913 54.840 -0.037 0.000 0.799 50 L CB -0.152 41.892 42.059 -0.025 0.000 0.925 50 L HN -0.649 7.391 8.230 -0.026 0.174 0.446 51 L N -2.716 118.482 121.223 -0.042 0.000 2.313 51 L HA -0.140 4.186 4.340 -0.023 0.000 0.214 51 L C 1.706 178.561 176.870 -0.024 0.000 1.119 51 L CA 2.082 56.898 54.840 -0.039 0.000 0.809 51 L CB 0.141 42.161 42.059 -0.066 0.000 0.933 51 L HN -0.587 7.482 8.230 -0.041 0.136 0.449 52 E N -3.129 117.048 120.200 -0.037 0.000 2.268 52 E HA -0.199 4.137 4.350 -0.023 0.000 0.195 52 E C -0.151 176.431 176.600 -0.030 0.000 0.995 52 E CA 1.618 58.001 56.400 -0.027 0.000 0.836 52 E CB 0.290 29.970 29.700 -0.033 0.000 0.763 52 E HN -0.428 7.746 8.360 -0.042 0.161 0.491 53 T N -7.420 107.074 114.554 -0.099 0.000 2.907 53 T HA 0.331 4.538 4.350 -0.239 0.000 0.292 53 T C 0.128 174.550 174.700 -0.463 0.000 1.043 53 T CA -2.268 59.695 62.100 -0.229 0.000 1.003 53 T CB 2.551 71.333 68.868 -0.144 0.000 1.084 53 T HN -0.801 7.242 8.240 -0.086 0.145 0.483 54 S N 2.368 117.571 115.700 -0.828 0.000 2.423 54 S HA -0.263 3.595 4.470 -1.021 0.000 0.231 54 S C 2.032 176.499 174.600 -0.223 0.000 1.014 54 S CA 2.802 60.504 58.200 -0.829 0.000 0.965 54 S CB -0.234 62.507 63.200 -0.764 0.000 0.785 54 S HN 0.556 8.437 8.310 -0.715 0.000 0.495 55 E N 0.808 120.903 120.200 -0.176 0.000 2.047 55 E HA -0.211 4.131 4.350 -0.014 0.000 0.191 55 E C 2.080 178.658 176.600 -0.036 0.000 0.987 55 E CA 3.089 59.452 56.400 -0.062 0.000 0.799 55 E CB -0.156 29.506 29.700 -0.063 0.000 0.752 55 E HN 0.240 8.451 8.360 -0.221 0.016 0.449 56 G N -2.136 106.626 108.800 -0.063 0.000 2.408 56 G HA2 -0.249 3.693 3.960 -0.029 0.000 0.217 56 G HA3 -0.249 3.690 3.960 -0.048 -0.008 0.217 56 G C 0.973 175.853 174.900 -0.033 0.000 1.150 56 G CA 1.883 46.957 45.100 -0.042 0.000 0.776 56 G HN -0.206 8.026 8.290 -0.096 0.000 0.542 57 C N 0.875 120.157 119.300 -0.030 0.000 2.425 57 C HA -0.493 3.949 4.460 -0.030 0.000 0.277 57 C C 1.210 176.188 174.990 -0.020 0.000 1.280 57 C CA 4.759 63.778 59.018 0.002 0.000 1.744 57 C CB 0.117 27.916 27.740 0.099 0.000 1.989 57 C HN -0.129 7.974 8.230 -0.067 0.086 0.491 58 R N -0.514 120.010 120.500 0.041 0.000 2.083 58 R HA -0.416 3.757 4.340 -0.279 0.000 0.237 58 R C 2.515 178.762 176.300 -0.088 0.000 1.137 58 R CA 3.051 59.122 56.100 -0.048 0.000 0.951 58 R CB -0.661 29.715 30.300 0.127 0.000 0.851 58 R HN -0.143 8.091 8.270 0.091 0.091 0.434 59 Q N -1.192 118.586 119.800 -0.037 0.000 2.135 59 Q HA -0.285 4.042 4.340 -0.023 0.000 0.204 59 Q C 2.701 178.681 176.000 -0.034 0.000 0.981 59 Q CA 3.137 58.924 55.803 -0.026 0.000 0.856 59 Q CB -0.156 28.577 28.738 -0.008 0.000 0.902 59 Q HN -0.556 7.630 8.270 -0.017 0.073 0.425 60 I N 0.474 121.010 120.570 -0.056 0.000 2.094 60 I HA -0.425 3.728 4.170 -0.029 0.000 0.234 60 I C 2.324 178.365 176.117 -0.128 0.000 1.063 60 I CA 3.571 64.826 61.300 -0.075 0.000 1.328 60 I CB 0.006 37.953 38.000 -0.088 0.000 1.058 60 I HN -0.408 7.674 8.210 -0.056 0.094 0.400 61 L N -0.710 120.383 121.223 -0.217 0.000 2.151 61 L HA -0.427 3.659 4.340 -0.423 0.000 0.215 61 L C 2.098 178.877 176.870 -0.153 0.000 1.084 61 L CA 3.000 57.638 54.840 -0.337 0.000 0.764 61 L CB -0.415 41.330 42.059 -0.525 0.000 0.891 61 L HN 0.172 8.273 8.230 -0.216 0.000 0.435 62 G N -3.474 105.252 108.800 -0.122 0.000 2.404 62 G HA2 -0.331 3.599 3.960 -0.051 0.000 0.215 62 G HA3 -0.331 3.638 3.960 -0.053 -0.041 0.215 62 G C 0.905 175.808 174.900 0.006 0.000 1.174 62 G CA 1.565 46.633 45.100 -0.053 0.000 0.780 62 G HN -0.036 7.966 8.290 -0.140 0.205 0.537 63 Q N 0.117 119.924 119.800 0.013 0.000 2.228 63 Q HA 0.104 4.483 4.340 0.065 0.000 0.211 63 Q C -0.086 175.943 176.000 0.048 0.000 0.890 63 Q CA -0.342 55.499 55.803 0.063 0.000 0.953 63 Q CB 0.046 28.849 28.738 0.109 0.000 1.053 63 Q HN -0.279 7.905 8.270 -0.008 0.081 0.471 64 L N -1.080 120.155 121.223 0.021 0.000 2.609 64 L HA 0.126 4.384 4.340 -0.137 0.000 0.230 64 L C 0.983 177.935 176.870 0.137 0.000 1.064 64 L CA 1.239 56.088 54.840 0.015 0.000 0.873 64 L CB 1.310 43.374 42.059 0.008 0.000 1.139 64 L HN -0.650 7.390 8.230 0.037 0.212 0.490 65 Q N 0.429 120.343 119.800 0.190 0.000 2.077 65 Q HA -0.218 4.130 4.340 0.014 0.000 0.206 65 Q C -0.531 175.467 176.000 -0.003 0.000 0.989 65 Q CA 4.886 60.745 55.803 0.094 0.000 0.853 65 Q CB -2.215 26.584 28.738 0.103 0.000 0.907 65 Q HN -0.475 7.902 8.270 0.177 0.000 0.418 66 P HA 0.027 4.453 4.420 0.010 0.000 0.217 66 P C 1.732 179.054 177.300 0.037 0.000 1.154 66 P CA 2.140 65.257 63.100 0.028 0.000 0.841 66 P CB -0.462 31.267 31.700 0.048 0.000 0.788 67 S N -2.302 113.434 115.700 0.060 0.000 2.507 67 S HA -0.183 4.365 4.470 0.129 0.000 0.235 67 S C 1.479 176.088 174.600 0.015 0.000 0.988 67 S CA 2.609 60.858 58.200 0.082 0.000 0.944 67 S CB -0.418 62.831 63.200 0.083 0.000 0.762 67 S HN -0.157 8.123 8.310 0.063 0.068 0.526 68 L N 0.689 121.893 121.223 -0.032 0.000 2.072 68 L HA -0.296 4.005 4.340 -0.065 0.000 0.205 68 L C 1.053 177.889 176.870 -0.057 0.000 1.079 68 L CA 2.881 57.669 54.840 -0.086 0.000 0.752 68 L CB -0.217 41.699 42.059 -0.238 0.000 0.906 68 L HN -0.072 7.955 8.230 -0.032 0.183 0.436 69 Q N -3.205 116.569 119.800 -0.043 0.000 2.488 69 Q HA -0.187 4.130 4.340 -0.037 0.000 0.211 69 Q C 1.175 177.176 176.000 0.001 0.000 0.967 69 Q CA 2.189 57.976 55.803 -0.026 0.000 0.926 69 Q CB 0.203 28.926 28.738 -0.024 0.000 0.992 69 Q HN -0.642 7.604 8.270 -0.041 0.000 0.506 70 T N -3.307 111.259 114.554 0.019 0.000 3.004 70 T HA 0.153 4.522 4.350 0.031 0.000 0.266 70 T C 0.020 174.754 174.700 0.056 0.000 0.986 70 T CA -0.302 61.823 62.100 0.041 0.000 0.902 70 T CB 0.697 69.600 68.868 0.059 0.000 1.118 70 T HN -0.454 7.670 8.240 0.019 0.127 0.522 71 G N 1.977 110.805 108.800 0.045 0.000 2.535 71 G HA2 0.029 4.041 3.960 0.086 0.000 0.210 71 G HA3 0.029 4.031 3.960 0.039 -0.019 0.210 71 G C -1.622 173.306 174.900 0.047 0.000 1.593 71 G CA 0.290 45.423 45.100 0.055 0.000 0.948 71 G HN -0.006 8.102 8.290 0.023 0.195 0.476 72 S N -3.126 112.597 115.700 0.037 0.000 2.648 72 S HA -0.049 4.437 4.470 0.026 0.000 0.266 72 S C -0.406 174.218 174.600 0.040 0.000 1.046 72 S CA -0.494 57.729 58.200 0.038 0.000 0.913 72 S CB 0.635 63.866 63.200 0.053 0.000 1.179 72 S HN -0.774 7.553 8.310 0.028 0.000 0.476 73 E N 1.468 121.692 120.200 0.039 0.000 2.085 73 E HA -0.337 4.028 4.350 0.024 0.000 0.194 73 E C 1.676 178.317 176.600 0.069 0.000 0.994 73 E CA 3.995 60.419 56.400 0.038 0.000 0.801 73 E CB -0.104 29.614 29.700 0.029 0.000 0.743 73 E HN 0.402 8.784 8.360 0.037 0.000 0.453 74 E N -0.927 119.331 120.200 0.097 0.000 2.046 74 E HA -0.221 4.217 4.350 0.146 0.000 0.190 74 E C 2.263 178.991 176.600 0.214 0.000 0.982 74 E CA 2.173 58.671 56.400 0.163 0.000 0.800 74 E CB -0.232 29.582 29.700 0.190 0.000 0.756 74 E HN -0.243 8.168 8.360 0.088 0.001 0.449 75 L N -0.282 121.032 121.223 0.151 0.000 2.127 75 L HA -0.331 4.096 4.340 0.144 0.000 0.211 75 L C 1.600 178.545 176.870 0.126 0.000 1.089 75 L CA 2.560 57.474 54.840 0.123 0.000 0.757 75 L CB -0.025 42.074 42.059 0.067 0.000 0.899 75 L HN -0.715 7.585 8.230 0.116 0.000 0.434 76 R N -0.945 119.612 120.500 0.094 0.000 2.073 76 R HA -0.483 3.874 4.340 0.028 0.000 0.234 76 R C 1.988 178.383 176.300 0.159 0.000 1.134 76 R CA 3.919 60.061 56.100 0.069 0.000 0.952 76 R CB -0.348 29.959 30.300 0.011 0.000 0.850 76 R HN 0.496 8.609 8.270 0.078 0.204 0.433 77 S N -0.318 115.481 115.700 0.164 0.000 2.383 77 S HA -0.346 4.217 4.470 0.155 0.000 0.229 77 S C 1.805 176.584 174.600 0.298 0.000 1.030 77 S CA 3.459 61.772 58.200 0.189 0.000 1.002 77 S CB -0.205 63.070 63.200 0.125 0.000 0.829 77 S HN -0.578 7.746 8.310 0.141 0.071 0.467 78 L N 1.628 123.066 121.223 0.359 0.000 2.017 78 L HA -0.283 4.389 4.340 0.555 0.000 0.208 78 L C 0.899 177.922 176.870 0.255 0.000 1.073 78 L CA 3.285 58.353 54.840 0.380 0.000 0.745 78 L CB -0.770 41.440 42.059 0.251 0.000 0.894 78 L HN -0.671 7.644 8.230 0.328 0.112 0.432 79 Y N -0.107 120.238 120.300 0.074 0.000 2.181 79 Y HA -0.547 3.997 4.550 -0.010 0.000 0.288 79 Y C 1.848 177.791 175.900 0.071 0.000 1.146 79 Y CA 3.759 61.874 58.100 0.025 0.000 1.164 79 Y CB -0.313 38.139 38.460 -0.012 0.000 0.982 79 Y HN -0.229 8.165 8.280 0.322 0.079 0.515 80 N N -2.263 116.714 118.700 0.460 0.000 2.289 80 N HA -0.306 4.695 4.740 0.436 0.000 0.184 80 N C 2.283 177.969 175.510 0.293 0.000 1.016 80 N CA 3.037 56.305 53.050 0.364 0.000 0.872 80 N CB -0.542 38.111 38.487 0.276 0.000 0.973 80 N HN 0.137 8.693 8.380 0.421 0.076 0.433 81 T N 3.181 117.917 114.554 0.304 0.000 2.770 81 T HA -0.186 4.451 4.350 0.479 0.000 0.263 81 T C 2.123 176.916 174.700 0.155 0.000 1.039 81 T CA 4.246 66.550 62.100 0.340 0.000 1.142 81 T CB -0.211 68.889 68.868 0.386 0.000 0.868 81 T HN -0.345 7.940 8.240 0.301 0.136 0.435 82 I N 1.925 122.511 120.570 0.027 0.000 2.252 82 I HA -0.447 3.663 4.170 -0.099 0.000 0.245 82 I C 1.624 177.711 176.117 -0.051 0.000 1.102 82 I CA 4.325 65.578 61.300 -0.079 0.000 1.385 82 I CB -0.388 37.520 38.000 -0.154 0.000 1.064 82 I HN -0.284 7.876 8.210 0.035 0.071 0.414 83 A N 0.016 122.762 122.820 -0.123 0.000 1.884 83 A HA -0.356 3.874 4.320 -0.151 0.000 0.219 83 A C 2.187 179.851 177.584 0.134 0.000 1.197 83 A CA 3.542 55.540 52.037 -0.065 0.000 0.637 83 A CB -0.950 18.020 19.000 -0.051 0.000 0.827 83 A HN 0.485 8.409 8.150 -0.193 0.110 0.450 84 V N -1.175 118.854 119.914 0.193 0.000 2.332 84 V HA -0.418 3.832 4.120 0.217 0.000 0.248 84 V C 2.070 178.309 176.094 0.241 0.000 1.055 84 V CA 3.902 66.360 62.300 0.263 0.000 1.038 84 V CB -0.776 31.269 31.823 0.370 0.000 0.651 84 V HN -0.509 7.806 8.190 0.207 0.000 0.450 85 L N 0.393 121.704 121.223 0.147 0.000 2.042 85 L HA -0.371 3.869 4.340 -0.166 0.000 0.210 85 L C 2.230 179.074 176.870 -0.045 0.000 1.076 85 L CA 2.904 57.672 54.840 -0.120 0.000 0.749 85 L CB -1.486 40.376 42.059 -0.329 0.000 0.893 85 L HN -0.261 7.964 8.230 0.129 0.083 0.432 86 Y N -0.557 119.760 120.300 0.027 0.000 2.274 86 Y HA -0.254 4.504 4.550 0.347 0.000 0.290 86 Y C 2.407 178.357 175.900 0.082 0.000 1.145 86 Y CA 3.517 61.693 58.100 0.126 0.000 1.203 86 Y CB -0.313 38.169 38.460 0.037 0.000 0.984 86 Y HN 0.535 8.781 8.280 0.258 0.188 0.533 87 C N -1.581 117.803 119.300 0.140 0.000 2.440 87 C HA -0.368 4.121 4.460 0.049 0.000 0.278 87 C C 1.656 176.642 174.990 -0.007 0.000 1.295 87 C CA 3.016 62.075 59.018 0.068 0.000 1.738 87 C CB -0.986 26.823 27.740 0.115 0.000 1.987 87 C HN -0.508 7.708 8.230 0.199 0.134 0.492 88 V N -0.314 119.582 119.914 -0.030 0.000 2.490 88 V HA -0.425 3.684 4.120 -0.017 0.000 0.250 88 V C 1.947 177.957 176.094 -0.140 0.000 1.061 88 V CA 4.412 66.664 62.300 -0.081 0.000 1.064 88 V CB -0.552 31.220 31.823 -0.086 0.000 0.670 88 V HN -0.149 7.946 8.190 -0.005 0.092 0.461 89 H N -1.961 117.048 119.070 -0.101 0.000 2.357 89 H HA -0.120 4.584 4.556 -0.110 -0.214 0.301 89 H C 2.058 177.280 175.328 -0.177 0.000 1.082 89 H CA 2.275 58.229 56.048 -0.157 0.000 1.342 89 H CB 0.195 29.820 29.762 -0.228 0.000 1.389 89 H HN -0.396 7.649 8.280 -0.199 0.116 0.511 90 Q N -3.856 115.881 119.800 -0.105 0.000 2.354 90 Q HA 0.004 4.279 4.340 -0.110 0.000 0.203 90 Q C -0.123 175.846 176.000 -0.052 0.000 0.933 90 Q CA 0.534 56.268 55.803 -0.115 0.000 0.901 90 Q CB 1.222 29.858 28.738 -0.170 0.000 1.007 90 Q HN -0.577 7.516 8.270 -0.145 0.090 0.495 91 R N -2.481 117.998 120.500 -0.036 0.000 3.305 91 R HA -0.377 3.957 4.340 -0.010 0.000 0.268 91 R C -1.643 174.654 176.300 -0.005 0.000 1.087 91 R CA 0.608 56.699 56.100 -0.015 0.000 0.725 91 R CB -2.448 27.845 30.300 -0.012 0.000 1.233 91 R HN 0.198 8.198 8.270 -0.044 0.243 0.416 92 I N -1.446 119.126 120.570 0.002 0.000 2.440 92 I HA -0.061 4.114 4.170 0.009 0.000 0.294 92 I C -0.479 175.651 176.117 0.020 0.000 0.995 92 I CA -0.786 60.522 61.300 0.014 0.000 1.306 92 I CB 0.926 38.943 38.000 0.028 0.000 1.407 92 I HN -0.099 8.006 8.210 0.002 0.106 0.501 93 D N 7.268 127.677 120.400 0.016 0.000 2.368 93 D HA -0.111 4.536 4.640 0.011 0.000 0.268 93 D C -1.243 175.068 176.300 0.019 0.000 1.298 93 D CA 1.277 55.285 54.000 0.013 0.000 0.938 93 D CB -0.193 40.611 40.800 0.007 0.000 1.101 93 D HN 0.127 8.504 8.370 0.013 0.000 0.509 94 V N 1.085 121.012 119.914 0.021 0.000 3.158 94 V HA 0.378 4.512 4.120 0.022 0.000 0.311 94 V C -1.898 174.201 176.094 0.008 0.000 1.181 94 V CA -2.781 59.534 62.300 0.024 0.000 1.054 94 V CB 3.078 34.929 31.823 0.047 0.000 1.085 94 V HN -0.451 7.751 8.190 0.019 0.000 0.446 95 K N -3.431 116.969 120.400 -0.000 0.000 2.826 95 K HA 0.233 4.538 4.320 -0.025 0.000 0.195 95 K C -1.562 175.011 176.600 -0.045 0.000 1.516 95 K CA 0.833 57.106 56.287 -0.023 0.000 1.213 95 K CB 2.750 35.234 32.500 -0.026 0.000 1.762 95 K HN 0.072 8.326 8.250 0.007 0.000 0.583 96 D N -4.617 115.762 120.400 -0.034 0.000 2.497 96 D HA 0.553 5.273 4.640 -0.109 -0.145 0.243 96 D C 0.965 177.258 176.300 -0.011 0.000 1.039 96 D CA -1.667 52.297 54.000 -0.061 0.000 1.052 96 D CB 2.880 43.642 40.800 -0.064 0.000 1.344 96 D HN -0.645 7.716 8.370 -0.015 0.000 0.553 97 T N 0.386 114.924 114.554 -0.026 0.000 2.684 97 T HA -0.401 4.043 4.350 0.157 0.000 0.267 97 T C 1.710 176.456 174.700 0.076 0.000 1.036 97 T CA 4.276 66.418 62.100 0.070 0.000 1.148 97 T CB -0.173 68.721 68.868 0.043 0.000 0.863 97 T HN 0.015 8.191 8.240 -0.106 0.000 0.436 98 K N 0.330 120.750 120.400 0.033 0.000 2.147 98 K HA -0.343 4.011 4.320 0.057 0.000 0.205 98 K C 2.242 178.868 176.600 0.044 0.000 1.049 98 K CA 3.501 59.810 56.287 0.038 0.000 0.936 98 K CB -0.442 32.064 32.500 0.010 0.000 0.722 98 K HN 0.103 8.353 8.250 -0.001 0.000 0.446 99 E N -1.300 118.920 120.200 0.034 0.000 2.153 99 E HA -0.296 4.071 4.350 0.028 0.000 0.194 99 E C 1.663 178.299 176.600 0.060 0.000 0.988 99 E CA 2.906 59.327 56.400 0.035 0.000 0.811 99 E CB -0.345 29.367 29.700 0.020 0.000 0.746 99 E HN -0.473 7.906 8.360 0.021 -0.007 0.466 100 A N -0.241 122.630 122.820 0.085 0.000 1.930 100 A HA -0.259 4.125 4.320 0.106 0.000 0.217 100 A C 1.718 179.374 177.584 0.120 0.000 1.175 100 A CA 3.016 55.121 52.037 0.114 0.000 0.627 100 A CB -0.682 18.408 19.000 0.150 0.000 0.815 100 A HN -0.316 7.756 8.150 0.087 0.130 0.443 101 L N -1.235 120.060 121.223 0.119 0.000 2.012 101 L HA -0.438 3.995 4.340 0.156 0.000 0.210 101 L C 2.065 178.990 176.870 0.093 0.000 1.073 101 L CA 4.140 59.055 54.840 0.125 0.000 0.748 101 L CB -0.564 41.568 42.059 0.122 0.000 0.891 101 L HN -0.396 7.811 8.230 0.113 0.090 0.431 102 D N -1.804 118.638 120.400 0.070 0.000 2.123 102 D HA -0.286 4.489 4.640 0.049 -0.106 0.200 102 D C 2.199 178.535 176.300 0.059 0.000 0.976 102 D CA 3.642 57.674 54.000 0.053 0.000 0.831 102 D CB 0.279 41.101 40.800 0.036 0.000 0.974 102 D HN -0.534 7.875 8.370 0.065 0.000 0.469 103 K N -0.127 120.314 120.400 0.068 0.000 1.973 103 K HA -0.246 4.108 4.320 0.056 0.000 0.212 103 K C 2.569 179.229 176.600 0.099 0.000 1.047 103 K CA 2.703 59.033 56.287 0.072 0.000 0.937 103 K CB -0.211 32.331 32.500 0.070 0.000 0.721 103 K HN 0.059 8.169 8.250 0.069 0.181 0.440 104 I N -4.310 116.342 120.570 0.136 0.000 2.335 104 I HA -0.486 3.839 4.170 0.258 0.000 0.251 104 I C 1.148 177.346 176.117 0.136 0.000 1.129 104 I CA 3.869 65.288 61.300 0.198 0.000 1.402 104 I CB -0.599 37.538 38.000 0.230 0.000 1.069 104 I HN 0.697 8.853 8.210 0.133 0.134 0.424 105 E N 1.023 121.280 120.200 0.095 0.000 2.038 105 E HA -0.508 3.880 4.350 0.063 0.000 0.195 105 E C 2.164 178.802 176.600 0.063 0.000 1.000 105 E CA 3.975 60.417 56.400 0.069 0.000 0.803 105 E CB -0.361 29.373 29.700 0.057 0.000 0.750 105 E HN -0.257 7.946 8.360 0.094 0.213 0.448 106 E N -0.983 119.254 120.200 0.061 0.000 2.038 106 E HA -0.399 3.975 4.350 0.040 0.000 0.195 106 E C 2.548 179.186 176.600 0.063 0.000 1.000 106 E CA 3.282 59.712 56.400 0.051 0.000 0.803 106 E CB -0.088 29.637 29.700 0.041 0.000 0.750 106 E HN -0.516 7.881 8.360 0.062 0.000 0.448 107 E N -1.017 119.237 120.200 0.089 0.000 2.049 107 E HA -0.399 3.997 4.350 0.077 0.000 0.198 107 E C 2.467 179.140 176.600 0.122 0.000 1.007 107 E CA 2.958 59.425 56.400 0.111 0.000 0.809 107 E CB -0.264 29.533 29.700 0.162 0.000 0.749 107 E HN -0.651 7.767 8.360 0.098 0.000 0.450 108 Q N -0.799 119.079 119.800 0.130 0.000 2.030 108 Q HA -0.350 4.057 4.340 0.111 0.000 0.204 108 Q C 2.431 178.465 176.000 0.056 0.000 0.986 108 Q CA 3.324 59.178 55.803 0.085 0.000 0.843 108 Q CB -0.331 28.426 28.738 0.032 0.000 0.904 108 Q HN 0.319 8.562 8.270 0.137 0.109 0.420 109 N N -1.496 117.231 118.700 0.046 0.000 2.258 109 N HA -0.350 4.405 4.740 0.026 0.000 0.187 109 N C 2.303 177.832 175.510 0.032 0.000 1.012 109 N CA 3.283 56.352 53.050 0.032 0.000 0.870 109 N CB -0.108 38.395 38.487 0.027 0.000 0.977 109 N HN 0.077 8.487 8.380 0.049 0.000 0.434 110 K N -0.051 120.373 120.400 0.041 0.000 2.007 110 K HA -0.220 4.117 4.320 0.027 0.000 0.206 110 K C 1.921 178.543 176.600 0.036 0.000 1.047 110 K CA 3.147 59.456 56.287 0.036 0.000 0.937 110 K CB 0.025 32.547 32.500 0.038 0.000 0.718 110 K HN -0.228 7.897 8.250 0.052 0.156 0.438 111 S N -0.251 115.479 115.700 0.051 0.000 2.354 111 S HA -0.302 4.193 4.470 0.041 0.000 0.219 111 S C 2.024 176.645 174.600 0.035 0.000 1.035 111 S CA 3.733 61.962 58.200 0.049 0.000 1.037 111 S CB -0.136 63.109 63.200 0.075 0.000 0.956 111 S HN 0.138 8.488 8.310 0.067 0.000 0.428 112 K N -0.169 120.251 120.400 0.033 0.000 2.144 112 K HA -0.368 3.964 4.320 0.021 0.000 0.209 112 K C 2.012 178.623 176.600 0.019 0.000 1.047 112 K CA 2.936 59.236 56.287 0.022 0.000 0.927 112 K CB -0.840 31.672 32.500 0.019 0.000 0.716 112 K HN 0.291 8.564 8.250 0.039 0.000 0.454 113 K N -0.836 119.576 120.400 0.020 0.000 2.001 113 K HA -0.326 4.002 4.320 0.013 0.000 0.214 113 K C 2.413 179.022 176.600 0.015 0.000 1.050 113 K CA 3.374 59.670 56.287 0.016 0.000 0.934 113 K CB -0.669 31.841 32.500 0.016 0.000 0.718 113 K HN -0.542 7.617 8.250 0.024 0.106 0.443 114 K N -1.300 119.110 120.400 0.017 0.000 2.059 114 K HA -0.360 3.968 4.320 0.013 0.000 0.212 114 K C 2.311 178.919 176.600 0.014 0.000 1.050 114 K CA 3.242 59.538 56.287 0.015 0.000 0.927 114 K CB -0.563 31.947 32.500 0.016 0.000 0.714 114 K HN -0.418 7.781 8.250 0.020 0.063 0.447 115 A N -1.697 121.132 122.820 0.015 0.000 1.859 115 A HA -0.386 3.941 4.320 0.012 0.000 0.217 115 A C 2.227 179.817 177.584 0.011 0.000 1.198 115 A CA 3.239 55.284 52.037 0.013 0.000 0.629 115 A CB -0.987 18.021 19.000 0.014 0.000 0.830 115 A HN -0.410 7.688 8.150 0.018 0.063 0.446 116 Q N -1.478 118.328 119.800 0.011 0.000 2.077 116 Q HA -0.487 3.859 4.340 0.009 0.000 0.206 116 Q C 2.408 178.414 176.000 0.010 0.000 0.989 116 Q CA 3.622 59.431 55.803 0.010 0.000 0.853 116 Q CB -0.246 28.497 28.738 0.009 0.000 0.907 116 Q HN 0.201 8.373 8.270 0.012 0.106 0.418 117 Q N -0.923 118.883 119.800 0.010 0.000 2.045 117 Q HA -0.408 3.938 4.340 0.010 0.000 0.206 117 Q C 2.117 178.123 176.000 0.010 0.000 0.991 117 Q CA 3.186 58.995 55.803 0.010 0.000 0.851 117 Q CB 0.008 28.753 28.738 0.011 0.000 0.911 117 Q HN 0.145 8.316 8.270 0.011 0.105 0.418 118 A N -0.419 122.407 122.820 0.010 0.000 1.841 118 A HA -0.344 3.982 4.320 0.009 0.000 0.216 118 A C 1.729 179.319 177.584 0.009 0.000 1.199 118 A CA 2.459 54.501 52.037 0.009 0.000 0.621 118 A CB -0.600 18.405 19.000 0.009 0.000 0.835 118 A HN 0.013 8.169 8.150 0.010 0.000 0.445 119 A N -1.902 120.923 122.820 0.009 0.000 1.971 119 A HA -0.360 3.964 4.320 0.008 0.000 0.222 119 A C 2.291 179.881 177.584 0.009 0.000 1.182 119 A CA 2.668 54.710 52.037 0.009 0.000 0.649 119 A CB -0.245 18.760 19.000 0.008 0.000 0.818 119 A HN 0.257 8.412 8.150 0.009 0.000 0.458 120 A N -0.889 121.937 122.820 0.009 0.000 1.835 120 A HA -0.232 4.094 4.320 0.010 0.000 0.215 120 A C 1.129 178.719 177.584 0.010 0.000 1.199 120 A CA 2.549 54.592 52.037 0.010 0.000 0.615 120 A CB -0.095 18.911 19.000 0.010 0.000 0.838 120 A HN -0.179 7.848 8.150 0.009 0.129 0.444 121 D N -2.809 117.597 120.400 0.010 0.000 2.690 121 D HA 0.156 4.802 4.640 0.010 0.000 0.236 121 D C -0.994 175.311 176.300 0.008 0.000 1.218 121 D CA -1.009 52.997 54.000 0.009 0.000 0.829 121 D CB -0.616 40.189 40.800 0.009 0.000 1.009 121 D HN -0.507 7.869 8.370 0.010 0.000 0.482 122 T N -1.062 113.497 114.554 0.008 0.000 2.882 122 T HA -0.309 4.074 4.350 0.007 -0.029 0.330 122 T C 0.465 175.169 174.700 0.007 0.000 1.075 122 T CA 2.535 64.639 62.100 0.007 0.000 1.129 122 T CB 0.609 69.481 68.868 0.008 0.000 1.071 122 T HN -0.781 7.275 8.240 0.009 0.189 0.531 123 G N 2.889 111.693 108.800 0.006 0.000 2.675 123 G HA2 -0.066 3.897 3.960 0.005 0.000 0.202 123 G HA3 -0.066 3.897 3.960 0.005 0.000 0.202 123 G C -0.780 174.123 174.900 0.005 0.000 1.252 123 G CA 0.535 45.639 45.100 0.005 0.000 0.627 123 G HN -0.125 8.168 8.290 0.006 0.000 0.921 124 N N 2.282 120.985 118.700 0.004 0.000 2.558 124 N HA 0.146 4.888 4.740 0.004 0.000 0.233 124 N C -1.438 174.075 175.510 0.004 0.000 1.038 124 N CA -0.011 53.041 53.050 0.004 0.000 0.934 124 N CB -0.014 38.475 38.487 0.003 0.000 1.175 124 N HN 0.044 8.427 8.380 0.005 0.000 0.512 125 N N 1.915 120.617 118.700 0.004 0.000 3.533 125 N HA 0.005 4.747 4.740 0.004 0.000 0.229 125 N C -1.888 173.625 175.510 0.005 0.000 1.418 125 N CA 0.068 53.120 53.050 0.005 0.000 0.880 125 N CB 2.092 40.582 38.487 0.006 0.000 1.415 125 N HN -0.179 8.204 8.380 0.004 0.000 0.491 126 S N 0.746 116.449 115.700 0.005 0.000 2.481 126 S HA 0.184 4.657 4.470 0.005 0.000 0.276 126 S C -0.499 174.105 174.600 0.007 0.000 1.247 126 S CA 0.703 58.906 58.200 0.006 0.000 1.053 126 S CB 0.426 63.629 63.200 0.005 0.000 0.925 126 S HN 0.129 8.442 8.310 0.005 0.000 0.491 127 Q N 3.769 123.573 119.800 0.007 0.000 2.306 127 Q HA 0.389 4.734 4.340 0.009 0.000 0.269 127 Q C -1.383 174.623 176.000 0.010 0.000 1.053 127 Q CA -0.479 55.329 55.803 0.009 0.000 0.879 127 Q CB 2.173 30.916 28.738 0.008 0.000 1.344 127 Q HN 0.365 8.639 8.270 0.007 0.000 0.464 128 V N 0.999 120.920 119.914 0.012 0.000 2.962 128 V HA 0.437 4.565 4.120 0.013 0.000 0.313 128 V C -1.612 174.492 176.094 0.018 0.000 1.099 128 V CA -1.228 61.080 62.300 0.014 0.000 0.971 128 V CB 2.474 34.305 31.823 0.014 0.000 1.028 128 V HN 0.654 8.851 8.190 0.013 0.000 0.430 129 S N 6.087 121.800 115.700 0.021 0.000 2.624 129 S HA 0.239 4.723 4.470 0.023 0.000 0.263 129 S C -1.488 173.133 174.600 0.035 0.000 1.287 129 S CA -0.403 57.813 58.200 0.027 0.000 0.990 129 S CB 1.742 64.960 63.200 0.030 0.000 0.950 129 S HN 0.208 8.530 8.310 0.019 0.000 0.561 130 Q N -0.019 119.810 119.800 0.048 0.000 2.456 130 Q HA 0.291 4.662 4.340 0.051 0.000 0.284 130 Q C -1.873 174.190 176.000 0.106 0.000 1.061 130 Q CA -0.913 54.927 55.803 0.062 0.000 0.799 130 Q CB 2.186 30.957 28.738 0.055 0.000 1.445 130 Q HN 0.487 8.786 8.270 0.049 0.000 0.411 131 N N 0.498 119.264 118.700 0.111 0.000 2.485 131 N HA 0.325 5.215 4.740 0.250 0.000 0.280 131 N C -2.018 173.624 175.510 0.219 0.000 1.205 131 N CA -0.071 53.076 53.050 0.161 0.000 0.959 131 N CB 1.280 39.794 38.487 0.045 0.000 1.206 131 N HN 0.259 8.686 8.380 0.077 0.000 0.545 132 Y N -3.366 116.939 120.300 0.009 0.000 2.594 132 Y HA 0.534 5.091 4.550 0.011 0.000 0.338 132 Y C -2.427 173.479 175.900 0.010 0.000 1.019 132 Y CA -2.907 55.199 58.100 0.010 0.000 1.306 132 Y CB -0.678 37.788 38.460 0.010 0.000 1.094 132 Y HN 0.081 8.397 8.280 0.061 0.000 0.534 133 P HA 0.512 4.795 4.420 -0.227 0.000 0.274 133 P C -1.837 175.429 177.300 -0.057 0.000 1.256 133 P CA -0.735 62.288 63.100 -0.128 0.000 0.795 133 P CB 2.383 34.044 31.700 -0.064 0.000 1.038 134 I N -1.327 119.208 120.570 -0.059 0.000 2.841 134 I HA 0.433 4.609 4.170 0.010 0.000 0.298 134 I C -2.057 174.051 176.117 -0.016 0.000 1.304 134 I CA -1.017 60.274 61.300 -0.014 0.000 1.019 134 I CB 3.064 41.065 38.000 0.002 0.000 1.282 134 I HN 0.086 8.248 8.210 -0.081 0.000 0.432 135 V N 5.485 125.398 119.914 -0.001 0.000 3.049 135 V HA 0.326 4.441 4.120 -0.008 0.000 0.309 135 V C -1.712 174.383 176.094 0.002 0.000 1.148 135 V CA -0.810 61.488 62.300 -0.003 0.000 0.990 135 V CB 2.125 33.946 31.823 -0.003 0.000 1.039 135 V HN 0.016 8.211 8.190 0.008 0.000 0.430 136 Q N 3.220 123.020 119.800 -0.000 0.000 2.315 136 Q HA -0.099 4.244 4.340 0.004 0.000 0.289 136 Q C -0.688 175.313 176.000 0.001 0.000 1.044 136 Q CA 0.677 56.481 55.803 0.001 0.000 0.920 136 Q CB 0.670 29.407 28.738 -0.001 0.000 1.214 136 Q HN -0.029 8.239 8.270 -0.003 0.000 0.392 137 N N 1.422 120.124 118.700 0.003 0.000 2.520 137 N HA -0.038 4.704 4.740 0.002 0.000 0.273 137 N C -0.454 175.054 175.510 -0.002 0.000 1.155 137 N CA 0.020 53.072 53.050 0.002 0.000 0.967 137 N CB 0.386 38.876 38.487 0.006 0.000 1.092 137 N HN 0.121 8.505 8.380 0.005 0.000 0.457 138 L N 2.385 123.604 121.223 -0.007 0.000 2.313 138 L HA 0.443 4.778 4.340 -0.008 0.000 0.268 138 L C -0.729 176.133 176.870 -0.012 0.000 1.010 138 L CA -0.972 53.862 54.840 -0.011 0.000 0.814 138 L CB 1.787 43.837 42.059 -0.015 0.000 1.304 138 L HN -0.110 8.115 8.230 -0.008 0.000 0.441 139 Q N 1.358 121.150 119.800 -0.014 0.000 2.325 139 Q HA 0.186 4.519 4.340 -0.012 0.000 0.262 139 Q C -0.636 175.351 176.000 -0.021 0.000 0.968 139 Q CA -0.363 55.431 55.803 -0.014 0.000 0.877 139 Q CB 2.204 30.935 28.738 -0.011 0.000 1.253 139 Q HN 0.332 8.594 8.270 -0.014 0.000 0.448 140 G N 2.880 111.666 108.800 -0.023 0.000 2.522 140 G HA2 -0.144 3.794 3.960 -0.036 0.000 0.223 140 G HA3 -0.144 3.798 3.960 -0.030 0.000 0.223 140 G C -1.588 173.291 174.900 -0.034 0.000 1.565 140 G CA 0.194 45.275 45.100 -0.031 0.000 1.053 140 G HN 0.330 8.609 8.290 -0.019 0.000 0.547 141 Q N -1.917 117.859 119.800 -0.040 0.000 2.416 141 Q HA 0.174 4.491 4.340 -0.038 0.000 0.281 141 Q C -0.618 175.363 176.000 -0.032 0.000 1.067 141 Q CA -0.241 55.532 55.803 -0.049 0.000 0.809 141 Q CB 3.133 31.817 28.738 -0.091 0.000 1.418 141 Q HN -0.054 8.195 8.270 -0.036 0.000 0.411 142 M N 0.334 119.920 119.600 -0.022 0.000 7.127 142 M HA -0.269 4.209 4.480 -0.003 0.000 0.157 142 M C -1.858 174.453 176.300 0.019 0.000 0.623 142 M CA 0.632 55.932 55.300 -0.001 0.000 1.296 142 M CB 0.544 33.145 32.600 0.002 0.000 0.547 142 M HN -0.072 8.202 8.290 -0.026 0.000 0.190 143 V N -1.173 118.759 119.914 0.030 0.000 2.445 143 V HA 0.353 4.505 4.120 0.052 0.000 0.283 143 V C -1.822 174.307 176.094 0.057 0.000 1.014 143 V CA -0.812 61.512 62.300 0.040 0.000 0.852 143 V CB 0.805 32.636 31.823 0.013 0.000 1.021 143 V HN -0.057 8.147 8.190 0.024 0.000 0.435 144 H N 6.231 125.299 119.070 -0.004 0.000 2.582 144 H HA 0.107 4.657 4.556 -0.010 0.000 0.345 144 H C -0.237 175.087 175.328 -0.006 0.000 1.104 144 H CA 0.161 56.206 56.048 -0.006 0.000 1.390 144 H CB 1.038 30.798 29.762 -0.003 0.000 1.461 144 H HN 0.057 8.448 8.280 0.184 0.000 0.551 145 Q N 3.841 123.363 119.800 -0.464 0.000 2.299 145 Q HA 0.042 4.309 4.340 -0.121 0.000 0.246 145 Q C -0.846 175.062 176.000 -0.153 0.000 0.935 145 Q CA -0.300 55.348 55.803 -0.258 0.000 0.887 145 Q CB 1.486 30.073 28.738 -0.252 0.000 1.223 145 Q HN 0.180 7.930 8.270 -0.866 0.000 0.439 146 A N 1.724 124.520 122.820 -0.041 0.000 2.262 146 A HA 0.107 4.468 4.320 0.069 0.000 0.273 146 A C -0.758 176.820 177.584 -0.009 0.000 1.202 146 A CA -0.362 51.684 52.037 0.014 0.000 0.811 146 A CB 0.935 19.945 19.000 0.018 0.000 1.159 146 A HN 0.079 8.205 8.150 -0.040 0.000 0.505 147 I N -0.754 119.819 120.570 0.005 0.000 2.472 147 I HA 0.113 4.273 4.170 -0.018 0.000 0.290 147 I C -0.254 175.857 176.117 -0.009 0.000 1.016 147 I CA -0.092 61.203 61.300 -0.009 0.000 1.348 147 I CB 1.009 38.999 38.000 -0.017 0.000 1.417 147 I HN 0.111 8.331 8.210 0.016 0.000 0.521 148 S N 7.973 123.665 115.700 -0.013 0.000 2.632 148 S HA 0.377 4.842 4.470 -0.007 0.000 0.271 148 S C -0.695 173.909 174.600 0.006 0.000 1.260 148 S CA -2.655 55.541 58.200 -0.007 0.000 1.010 148 S CB 1.454 64.646 63.200 -0.013 0.000 0.965 148 S HN -0.011 8.287 8.310 -0.020 0.000 0.534 149 P HA -0.010 4.426 4.420 0.026 0.000 0.225 149 P C 1.255 178.568 177.300 0.020 0.000 1.156 149 P CA 1.513 64.624 63.100 0.018 0.000 0.787 149 P CB 0.296 32.005 31.700 0.014 0.000 0.802 150 R N -1.589 118.919 120.500 0.012 0.000 2.092 150 R HA -0.235 4.112 4.340 0.012 0.000 0.231 150 R C 2.296 178.609 176.300 0.022 0.000 1.119 150 R CA 4.022 60.129 56.100 0.012 0.000 0.970 150 R CB -0.386 29.916 30.300 0.004 0.000 0.864 150 R HN 0.199 8.447 8.270 0.006 0.026 0.440 151 T N 1.908 116.475 114.554 0.022 0.000 2.812 151 T HA -0.231 4.141 4.350 0.036 0.000 0.264 151 T C 1.495 176.244 174.700 0.082 0.000 1.042 151 T CA 3.975 66.096 62.100 0.034 0.000 1.140 151 T CB -0.266 68.604 68.868 0.003 0.000 0.870 151 T HN -0.704 7.544 8.240 0.013 0.000 0.445 152 L N 0.176 121.446 121.223 0.078 0.000 2.042 152 L HA -0.502 3.954 4.340 0.193 0.000 0.210 152 L C 1.776 178.726 176.870 0.134 0.000 1.076 152 L CA 3.805 58.724 54.840 0.132 0.000 0.749 152 L CB -0.451 41.664 42.059 0.094 0.000 0.893 152 L HN -0.512 7.676 8.230 0.050 0.072 0.432 153 N N -1.524 117.218 118.700 0.070 0.000 2.120 153 N HA -0.332 4.420 4.740 0.021 0.000 0.188 153 N C 1.709 177.238 175.510 0.032 0.000 1.024 153 N CA 2.958 56.028 53.050 0.034 0.000 0.852 153 N CB -0.393 38.104 38.487 0.016 0.000 1.003 153 N HN -0.320 8.095 8.380 0.054 -0.003 0.424 154 A N 0.433 123.289 122.820 0.060 0.000 1.883 154 A HA -0.254 4.082 4.320 0.027 0.000 0.217 154 A C 2.031 179.678 177.584 0.106 0.000 1.186 154 A CA 3.071 55.147 52.037 0.064 0.000 0.624 154 A CB -0.828 18.212 19.000 0.068 0.000 0.822 154 A HN -0.432 7.670 8.150 0.064 0.087 0.444 155 W N -0.849 120.437 121.300 -0.024 0.000 2.355 155 W HA -0.386 4.267 4.660 -0.011 0.000 0.309 155 W C 1.371 177.883 176.519 -0.012 0.000 1.206 155 W CA 2.616 59.953 57.345 -0.012 0.000 1.284 155 W CB 0.320 29.776 29.460 -0.008 0.000 1.145 155 W HN 0.236 8.591 8.180 0.292 0.000 0.502 156 V N 0.448 120.245 119.914 -0.196 0.000 2.317 156 V HA -0.731 3.087 4.120 -0.504 0.000 0.251 156 V C 2.170 178.058 176.094 -0.344 0.000 1.065 156 V CA 5.138 67.243 62.300 -0.325 0.000 1.049 156 V CB -0.449 31.301 31.823 -0.121 0.000 0.651 156 V HN 0.434 8.480 8.190 0.047 0.172 0.450 157 K N -1.785 118.488 120.400 -0.212 0.000 2.097 157 K HA -0.302 3.914 4.320 -0.173 0.000 0.205 157 K C 2.235 178.693 176.600 -0.237 0.000 1.050 157 K CA 3.182 59.363 56.287 -0.177 0.000 0.938 157 K CB -0.118 32.327 32.500 -0.092 0.000 0.718 157 K HN -0.357 7.724 8.250 -0.127 0.093 0.442 158 V N 0.132 119.877 119.914 -0.282 0.000 2.343 158 V HA -0.403 3.622 4.120 -0.159 0.000 0.247 158 V C 2.098 177.873 176.094 -0.532 0.000 1.051 158 V CA 3.940 66.064 62.300 -0.294 0.000 1.036 158 V CB -0.605 31.173 31.823 -0.075 0.000 0.654 158 V HN -0.262 7.660 8.190 -0.238 0.126 0.451 159 V N 0.755 120.113 119.914 -0.926 0.000 2.295 159 V HA -0.554 3.049 4.120 -0.861 0.000 0.246 159 V C 1.921 177.703 176.094 -0.520 0.000 1.049 159 V CA 5.460 67.239 62.300 -0.868 0.000 1.024 159 V CB -0.311 30.916 31.823 -0.995 0.000 0.648 159 V HN 0.418 7.750 8.190 -1.138 0.175 0.447 160 E N -3.323 116.632 120.200 -0.407 0.000 2.338 160 E HA -0.273 3.909 4.350 -0.280 0.000 0.197 160 E C 1.052 177.517 176.600 -0.225 0.000 1.007 160 E CA 2.161 58.395 56.400 -0.277 0.000 0.849 160 E CB -0.044 29.530 29.700 -0.210 0.000 0.774 160 E HN -0.402 7.705 8.360 -0.423 0.000 0.506 161 E N -2.148 117.913 120.200 -0.233 0.000 2.042 161 E HA -0.098 4.173 4.350 -0.131 0.000 0.189 161 E C 0.603 177.108 176.600 -0.159 0.000 0.974 161 E CA 1.746 58.048 56.400 -0.162 0.000 0.806 161 E CB 1.040 30.663 29.700 -0.129 0.000 0.769 161 E HN -0.807 7.184 8.360 -0.288 0.197 0.451 162 K N -3.509 116.770 120.400 -0.203 0.000 3.438 162 K HA 0.077 4.283 4.320 -0.190 0.000 0.171 162 K C -1.300 175.150 176.600 -0.251 0.000 1.154 162 K CA -0.293 55.886 56.287 -0.180 0.000 0.728 162 K CB 0.128 32.576 32.500 -0.086 0.000 0.956 162 K HN -0.143 7.954 8.250 -0.254 0.000 0.529 163 A N 0.434 122.984 122.820 -0.451 0.000 1.929 163 A HA -0.342 3.661 4.320 -0.528 0.000 0.221 163 A C -0.031 177.231 177.584 -0.536 0.000 1.211 163 A CA 2.489 54.131 52.037 -0.659 0.000 0.657 163 A CB 0.121 18.489 19.000 -1.053 0.000 0.827 163 A HN 0.288 8.108 8.150 -0.464 0.053 0.462 164 F N -3.079 116.787 119.950 -0.140 0.000 2.332 164 F HA 0.136 4.643 4.527 -0.033 0.000 0.368 164 F C -1.519 174.232 175.800 -0.082 0.000 1.110 164 F CA -1.422 56.515 58.000 -0.105 0.000 1.087 164 F CB -0.039 38.832 39.000 -0.216 0.000 1.235 164 F HN -0.297 7.725 8.300 -0.472 -0.005 0.470 165 S N 1.256 117.036 115.700 0.134 0.000 2.686 165 S HA 0.183 4.715 4.470 0.104 0.000 0.273 165 S C -2.309 172.343 174.600 0.087 0.000 1.060 165 S CA -1.413 56.841 58.200 0.090 0.000 0.845 165 S CB 0.530 63.755 63.200 0.041 0.000 1.086 165 S HN -0.462 7.937 8.310 0.149 0.000 0.461 166 P HA 0.125 4.588 4.420 0.072 0.000 0.229 166 P C -0.482 176.856 177.300 0.063 0.000 1.160 166 P CA 1.926 65.065 63.100 0.065 0.000 0.777 166 P CB 0.210 31.941 31.700 0.052 0.000 0.814 167 E N -3.805 116.430 120.200 0.058 0.000 2.465 167 E HA 0.088 4.472 4.350 0.056 0.000 0.191 167 E C -0.323 176.324 176.600 0.079 0.000 1.053 167 E CA 0.497 56.931 56.400 0.056 0.000 0.869 167 E CB -0.387 29.335 29.700 0.038 0.000 0.977 167 E HN -0.094 8.262 8.360 0.053 0.036 0.483 168 V N -1.805 118.169 119.914 0.100 0.000 3.307 168 V HA -0.057 4.168 4.120 0.175 0.000 0.244 168 V C 0.531 176.762 176.094 0.228 0.000 1.196 168 V CA 1.311 63.706 62.300 0.160 0.000 1.132 168 V CB 1.292 33.176 31.823 0.102 0.000 0.875 168 V HN -0.557 7.499 8.190 0.091 0.188 0.468 169 I N 0.629 121.293 120.570 0.156 0.000 2.208 169 I HA -0.232 4.015 4.170 0.129 0.000 0.245 169 I C -0.785 175.437 176.117 0.175 0.000 1.097 169 I CA 4.863 66.249 61.300 0.142 0.000 1.363 169 I CB -3.500 34.556 38.000 0.092 0.000 1.051 169 I HN -0.389 7.894 8.210 0.120 0.000 0.413 170 P HA -0.007 4.465 4.420 0.087 0.000 0.218 170 P C 1.785 179.149 177.300 0.106 0.000 1.152 170 P CA 2.306 65.465 63.100 0.098 0.000 0.826 170 P CB -0.283 31.457 31.700 0.067 0.000 0.790 171 M N -2.595 117.096 119.600 0.150 0.000 2.159 171 M HA -0.308 4.233 4.480 0.102 0.000 0.263 171 M C 1.881 178.292 176.300 0.185 0.000 1.063 171 M CA 3.868 59.268 55.300 0.168 0.000 1.110 171 M CB -0.359 32.368 32.600 0.213 0.000 1.374 171 M HN -0.637 7.671 8.290 0.160 0.077 0.411 172 F N 0.439 120.425 119.950 0.059 0.000 2.163 172 F HA -0.344 3.924 4.527 -0.431 0.000 0.297 172 F C 1.293 176.921 175.800 -0.287 0.000 1.094 172 F CA 3.516 61.351 58.000 -0.276 0.000 1.290 172 F CB 0.620 39.415 39.000 -0.341 0.000 1.017 172 F HN 0.508 8.944 8.300 0.407 0.109 0.483 173 S N -0.625 115.055 115.700 -0.034 0.000 2.419 173 S HA -0.430 3.856 4.470 -0.306 0.000 0.233 173 S C 1.612 176.081 174.600 -0.219 0.000 1.016 173 S CA 2.781 60.893 58.200 -0.147 0.000 0.974 173 S CB 0.234 63.447 63.200 0.023 0.000 0.786 173 S HN -0.282 8.156 8.310 0.214 0.000 0.492 174 A N 1.958 124.690 122.820 -0.147 0.000 1.872 174 A HA -0.181 4.078 4.320 -0.102 0.000 0.214 174 A C 2.678 180.156 177.584 -0.177 0.000 1.187 174 A CA 2.629 54.596 52.037 -0.117 0.000 0.614 174 A CB -0.462 18.512 19.000 -0.043 0.000 0.826 174 A HN -0.326 7.647 8.150 -0.079 0.129 0.442 175 L N -4.385 116.692 121.223 -0.243 0.000 2.478 175 L HA -0.141 4.099 4.340 -0.166 0.000 0.223 175 L C 0.076 176.690 176.870 -0.426 0.000 1.140 175 L CA 1.486 56.165 54.840 -0.268 0.000 0.842 175 L CB 0.570 42.513 42.059 -0.194 0.000 0.953 175 L HN -0.537 7.471 8.230 -0.245 0.075 0.452 176 S N -4.108 111.244 115.700 -0.580 0.000 2.650 176 S HA 0.037 4.201 4.470 -0.510 0.000 0.240 176 S C -0.879 173.490 174.600 -0.385 0.000 1.007 176 S CA -1.580 56.246 58.200 -0.622 0.000 0.984 176 S CB 0.495 63.017 63.200 -1.129 0.000 0.910 176 S HN -0.520 7.342 8.310 -0.565 0.109 0.509 177 E N 2.660 122.695 120.200 -0.275 0.000 2.868 177 E HA -0.244 4.059 4.350 -0.177 -0.059 0.246 177 E C 0.584 177.083 176.600 -0.167 0.000 0.962 177 E CA 0.960 57.250 56.400 -0.183 0.000 0.955 177 E CB -0.767 28.857 29.700 -0.127 0.000 0.903 177 E HN -0.992 7.030 8.360 -0.265 0.179 0.524 178 G N 1.668 110.370 108.800 -0.165 0.000 2.306 178 G HA2 -0.419 3.440 3.960 -0.169 0.000 0.274 178 G HA3 -0.419 3.461 3.960 -0.134 0.000 0.274 178 G C -1.022 173.774 174.900 -0.172 0.000 0.890 178 G CA 0.252 45.256 45.100 -0.159 0.000 1.298 178 G HN 0.465 8.658 8.290 -0.162 0.000 0.445 179 A N 0.085 122.784 122.820 -0.202 0.000 2.261 179 A HA 0.311 4.535 4.320 -0.159 0.000 0.323 179 A C -1.500 175.983 177.584 -0.168 0.000 1.107 179 A CA -1.628 50.295 52.037 -0.190 0.000 0.883 179 A CB 2.778 21.635 19.000 -0.237 0.000 1.251 179 A HN -0.494 7.517 8.150 -0.231 0.000 0.502 180 T N -5.238 109.244 114.554 -0.120 0.000 2.852 180 T HA 0.412 4.740 4.350 -0.037 0.000 0.281 180 T C -0.327 174.376 174.700 0.006 0.000 0.993 180 T CA -2.582 59.490 62.100 -0.045 0.000 0.933 180 T CB 0.603 69.456 68.868 -0.026 0.000 1.187 180 T HN -0.169 8.011 8.240 -0.100 0.000 0.559 181 P HA -0.081 4.571 4.420 0.387 0.000 0.219 181 P C 1.465 178.868 177.300 0.171 0.000 1.154 181 P CA 2.645 65.941 63.100 0.326 0.000 0.826 181 P CB 0.221 32.150 31.700 0.382 0.000 0.795 182 Q N -1.998 117.868 119.800 0.110 0.000 2.167 182 Q HA -0.293 4.105 4.340 0.096 0.000 0.202 182 Q C 1.874 177.900 176.000 0.043 0.000 0.970 182 Q CA 3.194 59.046 55.803 0.081 0.000 0.855 182 Q CB -0.495 28.288 28.738 0.074 0.000 0.911 182 Q HN -0.413 7.919 8.270 0.103 0.000 0.438 183 D N 0.569 120.975 120.400 0.011 0.000 2.149 183 D HA -0.112 4.521 4.640 -0.011 0.000 0.206 183 D C 1.920 178.167 176.300 -0.090 0.000 0.967 183 D CA 2.508 56.488 54.000 -0.034 0.000 0.848 183 D CB 0.121 40.891 40.800 -0.050 0.000 0.998 183 D HN -0.536 7.734 8.370 0.013 0.108 0.474 184 L N -1.004 120.135 121.223 -0.140 0.000 2.083 184 L HA -0.480 3.702 4.340 -0.263 0.000 0.209 184 L C 2.184 179.000 176.870 -0.089 0.000 1.083 184 L CA 3.623 58.334 54.840 -0.214 0.000 0.752 184 L CB -0.307 41.501 42.059 -0.419 0.000 0.899 184 L HN 0.405 8.436 8.230 -0.129 0.121 0.433 185 N N -1.929 116.765 118.700 -0.010 0.000 2.120 185 N HA -0.206 4.588 4.740 0.090 0.000 0.188 185 N C 2.330 177.880 175.510 0.067 0.000 1.024 185 N CA 3.114 56.208 53.050 0.073 0.000 0.852 185 N CB -0.687 37.873 38.487 0.122 0.000 1.003 185 N HN 0.416 8.675 8.380 0.008 0.126 0.424 186 T N 3.300 117.880 114.554 0.044 0.000 2.708 186 T HA -0.300 4.090 4.350 0.067 0.000 0.266 186 T C 1.637 176.381 174.700 0.073 0.000 1.037 186 T CA 4.104 66.236 62.100 0.052 0.000 1.146 186 T CB -0.080 68.808 68.868 0.033 0.000 0.865 186 T HN -0.585 7.587 8.240 0.026 0.083 0.435 187 M N 1.670 121.285 119.600 0.025 0.000 2.117 187 M HA -0.327 4.236 4.480 0.138 0.000 0.262 187 M C 1.975 178.403 176.300 0.212 0.000 1.065 187 M CA 4.062 59.385 55.300 0.038 0.000 1.114 187 M CB -0.003 32.430 32.600 -0.278 0.000 1.361 187 M HN 0.038 8.307 8.290 -0.035 0.000 0.408 188 L N -3.808 117.512 121.223 0.162 0.000 2.275 188 L HA -0.275 4.257 4.340 0.320 0.000 0.215 188 L C 0.783 177.772 176.870 0.199 0.000 1.119 188 L CA 2.467 57.437 54.840 0.218 0.000 0.790 188 L CB -0.499 41.646 42.059 0.144 0.000 0.919 188 L HN 0.293 8.463 8.230 0.084 0.110 0.443 189 N N -3.405 115.391 118.700 0.161 0.000 2.173 189 N HA -0.093 4.719 4.740 0.121 0.000 0.184 189 N C 0.927 176.518 175.510 0.135 0.000 1.025 189 N CA 2.430 55.558 53.050 0.130 0.000 0.852 189 N CB 0.589 39.137 38.487 0.101 0.000 0.998 189 N HN -0.452 7.840 8.380 0.142 0.173 0.427 190 T N -0.646 114.008 114.554 0.167 0.000 3.007 190 T HA -0.229 4.177 4.350 0.093 0.000 0.270 190 T C 0.861 175.640 174.700 0.132 0.000 1.107 190 T CA 1.824 64.012 62.100 0.146 0.000 1.118 190 T CB 0.475 69.450 68.868 0.177 0.000 0.889 190 T HN -0.283 8.068 8.240 0.185 0.000 0.506 191 V N 0.348 120.404 119.914 0.236 0.000 3.996 191 V HA -0.201 3.939 4.120 0.033 0.000 0.296 191 V C -0.599 175.502 176.094 0.012 0.000 1.074 191 V CA 1.928 64.326 62.300 0.164 0.000 1.132 191 V CB 0.624 32.645 31.823 0.329 0.000 1.161 191 V HN -0.722 7.506 8.190 0.315 0.152 0.475 192 G N -0.924 107.833 108.800 -0.071 0.000 2.312 192 G HA2 0.026 3.978 3.960 -0.013 0.000 0.279 192 G HA3 0.026 3.932 3.960 -0.090 0.000 0.279 192 G C -1.855 172.941 174.900 -0.172 0.000 2.698 192 G CA -0.062 44.988 45.100 -0.082 0.000 0.764 192 G HN 0.104 8.319 8.290 -0.126 0.000 0.465 193 G N 0.558 109.301 108.800 -0.095 0.000 2.570 193 G HA2 0.201 4.006 3.960 -0.258 0.000 0.213 193 G HA3 0.201 3.847 3.960 -0.523 0.000 0.213 193 G C -1.699 173.341 174.900 0.234 0.000 1.391 193 G CA 0.549 45.568 45.100 -0.136 0.000 0.533 193 G HN -0.139 8.173 8.290 0.038 0.000 1.072 194 H N -0.105 119.232 119.070 0.445 0.000 3.174 194 H HA 0.122 4.808 4.556 0.216 0.000 0.307 194 H C -0.778 174.675 175.328 0.209 0.000 1.116 194 H CA -1.160 55.075 56.048 0.311 0.000 1.489 194 H CB 2.432 32.363 29.762 0.282 0.000 2.104 194 H HN -0.651 7.914 8.280 0.474 0.000 0.414 195 Q N 4.903 124.879 119.800 0.294 0.000 2.135 195 Q HA -0.322 4.121 4.340 0.171 0.000 0.204 195 Q C 1.094 177.174 176.000 0.135 0.000 0.981 195 Q CA 3.287 59.198 55.803 0.180 0.000 0.856 195 Q CB -0.124 28.695 28.738 0.135 0.000 0.902 195 Q HN 0.521 8.972 8.270 0.302 0.000 0.425 196 A N 0.704 123.586 122.820 0.103 0.000 1.883 196 A HA -0.334 3.995 4.320 0.016 0.000 0.217 196 A C 1.354 178.947 177.584 0.015 0.000 1.186 196 A CA 2.936 54.980 52.037 0.012 0.000 0.624 196 A CB -1.015 17.930 19.000 -0.093 0.000 0.822 196 A HN 0.250 8.477 8.150 0.136 0.005 0.444 197 A N -2.162 120.679 122.820 0.036 0.000 1.883 197 A HA -0.445 3.851 4.320 -0.041 0.000 0.217 197 A C 1.671 179.316 177.584 0.102 0.000 1.186 197 A CA 2.831 54.885 52.037 0.028 0.000 0.624 197 A CB -0.817 18.170 19.000 -0.021 0.000 0.822 197 A HN -0.096 8.031 8.150 0.080 0.071 0.444 198 M N -1.420 118.278 119.600 0.162 0.000 2.202 198 M HA -0.389 4.178 4.480 0.146 0.000 0.262 198 M C 2.025 178.382 176.300 0.096 0.000 1.063 198 M CA 2.770 58.155 55.300 0.142 0.000 1.097 198 M CB -0.532 32.160 32.600 0.155 0.000 1.382 198 M HN -0.016 8.401 8.290 0.211 0.000 0.413 199 Q N -0.054 119.792 119.800 0.077 0.000 2.020 199 Q HA -0.361 4.014 4.340 0.059 0.000 0.202 199 Q C 2.560 178.583 176.000 0.038 0.000 0.982 199 Q CA 3.526 59.360 55.803 0.052 0.000 0.838 199 Q CB -0.061 28.700 28.738 0.037 0.000 0.899 199 Q HN 0.222 8.322 8.270 0.081 0.219 0.423 200 M N -1.138 118.478 119.600 0.026 0.000 2.149 200 M HA -0.405 4.079 4.480 0.006 0.000 0.261 200 M C 2.417 178.733 176.300 0.026 0.000 1.064 200 M CA 4.023 59.331 55.300 0.013 0.000 1.102 200 M CB 0.030 32.628 32.600 -0.003 0.000 1.369 200 M HN -0.401 7.902 8.290 0.022 0.000 0.408 201 L N 0.124 121.374 121.223 0.045 0.000 2.042 201 L HA -0.409 3.961 4.340 0.049 0.000 0.210 201 L C 1.021 177.930 176.870 0.064 0.000 1.076 201 L CA 4.296 59.171 54.840 0.058 0.000 0.749 201 L CB -0.447 41.654 42.059 0.071 0.000 0.893 201 L HN 0.280 8.468 8.230 0.054 0.075 0.432 202 K N -1.188 119.252 120.400 0.067 0.000 2.147 202 K HA -0.447 3.934 4.320 0.102 0.000 0.205 202 K C 1.942 178.557 176.600 0.025 0.000 1.049 202 K CA 3.621 59.949 56.287 0.068 0.000 0.936 202 K CB -0.485 32.057 32.500 0.070 0.000 0.722 202 K HN -0.204 8.000 8.250 0.067 0.086 0.446 203 E N -0.928 119.279 120.200 0.012 0.000 2.047 203 E HA -0.268 4.069 4.350 -0.021 0.000 0.191 203 E C 2.429 179.006 176.600 -0.038 0.000 0.987 203 E CA 3.264 59.655 56.400 -0.015 0.000 0.799 203 E CB -0.164 29.531 29.700 -0.010 0.000 0.752 203 E HN -0.509 7.739 8.360 0.021 0.125 0.449 204 T N 1.568 116.110 114.554 -0.021 0.000 2.777 204 T HA -0.234 4.086 4.350 -0.050 0.000 0.266 204 T C 2.056 176.702 174.700 -0.090 0.000 1.040 204 T CA 4.864 66.943 62.100 -0.036 0.000 1.141 204 T CB -0.209 68.662 68.868 0.005 0.000 0.868 204 T HN -0.044 8.126 8.240 0.002 0.071 0.444 205 I N 1.632 122.179 120.570 -0.038 0.000 2.113 205 I HA -0.675 3.457 4.170 -0.064 0.000 0.238 205 I C 1.390 177.303 176.117 -0.340 0.000 1.070 205 I CA 4.806 66.070 61.300 -0.061 0.000 1.332 205 I CB -0.394 37.727 38.000 0.202 0.000 1.044 205 I HN 0.547 8.657 8.210 0.019 0.111 0.402 206 N N -0.971 117.613 118.700 -0.192 0.000 2.104 206 N HA -0.386 4.188 4.740 -0.276 0.000 0.190 206 N C 2.333 177.672 175.510 -0.284 0.000 1.024 206 N CA 3.841 56.754 53.050 -0.228 0.000 0.853 206 N CB -0.033 38.390 38.487 -0.107 0.000 1.008 206 N HN 0.190 8.403 8.380 -0.083 0.118 0.424 207 E N -0.738 119.330 120.200 -0.221 0.000 2.204 207 E HA -0.293 3.967 4.350 -0.149 0.000 0.194 207 E C 2.417 178.860 176.600 -0.262 0.000 0.989 207 E CA 3.096 59.385 56.400 -0.184 0.000 0.824 207 E CB -0.205 29.428 29.700 -0.111 0.000 0.756 207 E HN 0.261 8.334 8.360 -0.169 0.186 0.477 208 E N -0.190 119.739 120.200 -0.451 0.000 2.077 208 E HA -0.264 3.915 4.350 -0.286 0.000 0.193 208 E C 2.137 178.356 176.600 -0.635 0.000 0.989 208 E CA 2.799 58.831 56.400 -0.613 0.000 0.800 208 E CB -0.765 28.257 29.700 -1.129 0.000 0.746 208 E HN -0.018 7.822 8.360 -0.477 0.234 0.452 209 A N -0.862 121.408 122.820 -0.916 0.000 1.855 209 A HA -0.230 3.912 4.320 -0.298 0.000 0.215 209 A C 1.837 179.355 177.584 -0.109 0.000 1.191 209 A CA 3.162 54.895 52.037 -0.505 0.000 0.613 209 A CB -1.004 17.674 19.000 -0.538 0.000 0.829 209 A HN -0.468 6.971 8.150 -1.038 0.089 0.442 210 A N -1.319 121.407 122.820 -0.158 0.000 1.883 210 A HA -0.406 3.878 4.320 -0.060 0.000 0.217 210 A C 2.322 179.882 177.584 -0.039 0.000 1.186 210 A CA 3.113 55.102 52.037 -0.080 0.000 0.624 210 A CB -0.703 18.244 19.000 -0.089 0.000 0.822 210 A HN -0.206 7.802 8.150 -0.236 0.000 0.444 211 E N -1.177 119.001 120.200 -0.036 0.000 2.110 211 E HA -0.337 4.011 4.350 -0.003 0.000 0.193 211 E C 1.722 178.381 176.600 0.097 0.000 0.988 211 E CA 4.043 60.453 56.400 0.017 0.000 0.804 211 E CB -0.143 29.567 29.700 0.017 0.000 0.745 211 E HN 0.125 8.320 8.360 -0.088 0.112 0.458 212 W N 0.591 121.863 121.300 -0.048 0.000 2.332 212 W HA -0.469 4.217 4.660 0.044 0.000 0.321 212 W C 1.551 178.097 176.519 0.044 0.000 1.219 212 W CA 2.202 59.558 57.345 0.019 0.000 1.277 212 W CB 0.343 29.847 29.460 0.073 0.000 1.161 212 W HN 0.241 8.344 8.180 0.205 0.200 0.476 213 D N -1.400 118.916 120.400 -0.140 0.000 2.182 213 D HA -0.427 3.975 4.640 -0.396 0.000 0.201 213 D C 1.596 177.784 176.300 -0.187 0.000 0.986 213 D CA 3.035 56.898 54.000 -0.229 0.000 0.847 213 D CB -0.076 40.674 40.800 -0.084 0.000 0.942 213 D HN 0.032 8.450 8.370 0.080 0.000 0.467 214 R N -2.482 117.951 120.500 -0.112 0.000 2.081 214 R HA -0.209 4.075 4.340 -0.092 0.000 0.235 214 R C 1.968 178.203 176.300 -0.109 0.000 1.131 214 R CA 2.350 58.397 56.100 -0.089 0.000 0.960 214 R CB 0.242 30.515 30.300 -0.045 0.000 0.856 214 R HN -0.236 7.782 8.270 -0.065 0.213 0.436 215 L N -7.902 113.248 121.223 -0.120 0.000 2.592 215 L HA 0.215 4.502 4.340 -0.087 0.000 0.227 215 L C -0.534 176.196 176.870 -0.233 0.000 1.127 215 L CA 0.537 55.307 54.840 -0.117 0.000 0.884 215 L CB -0.265 41.783 42.059 -0.017 0.000 1.065 215 L HN -0.490 7.576 8.230 -0.108 0.099 0.457 216 H N 1.956 120.711 119.070 -0.524 0.000 2.691 216 H HA 0.424 4.634 4.556 -0.577 0.000 0.281 216 H C -2.326 172.768 175.328 -0.391 0.000 1.121 216 H CA -3.333 52.323 56.048 -0.653 0.000 1.254 216 H CB 0.823 29.842 29.762 -1.239 0.000 1.390 216 H HN -0.780 7.163 8.280 -0.311 0.151 0.491 217 P HA 0.056 4.281 4.420 -0.325 0.000 0.274 217 P C -1.241 175.819 177.300 -0.400 0.000 1.291 217 P CA -0.327 62.559 63.100 -0.357 0.000 0.815 217 P CB 0.363 31.923 31.700 -0.233 0.000 0.897 218 V N 6.454 126.157 119.914 -0.352 0.000 2.338 218 V HA -0.030 3.950 4.120 -0.233 0.000 0.255 218 V C -0.230 175.722 176.094 -0.237 0.000 1.082 218 V CA 0.439 62.591 62.300 -0.247 0.000 0.951 218 V CB -0.111 31.618 31.823 -0.156 0.000 1.102 218 V HN 0.256 8.249 8.190 -0.328 0.000 0.489 219 H N 8.926 127.933 119.070 -0.105 0.000 2.336 219 H HA 0.188 4.711 4.556 -0.055 0.000 0.230 219 H C -1.112 174.189 175.328 -0.046 0.000 1.426 219 H CA -0.740 55.267 56.048 -0.068 0.000 1.359 219 H CB -0.024 29.694 29.762 -0.073 0.000 1.555 219 H HN 0.160 8.416 8.280 -0.039 0.000 0.512 220 A N 1.928 124.802 122.820 0.089 0.000 2.258 220 A HA 0.303 4.655 4.320 0.054 0.000 0.316 220 A C 0.464 178.082 177.584 0.056 0.000 1.279 220 A CA -0.621 51.452 52.037 0.060 0.000 0.876 220 A CB 0.803 19.833 19.000 0.049 0.000 1.170 220 A HN -0.109 8.079 8.150 0.063 0.000 0.520 221 G N 2.189 111.014 108.800 0.042 0.000 2.522 221 G HA2 0.165 4.145 3.960 0.034 0.000 0.223 221 G HA3 0.165 4.136 3.960 0.018 0.000 0.223 221 G C -1.933 172.985 174.900 0.031 0.000 1.565 221 G CA -0.670 44.448 45.100 0.030 0.000 1.053 221 G HN 0.317 8.627 8.290 0.034 0.000 0.547 222 P HA -0.009 4.426 4.420 0.025 0.000 0.244 222 P C -1.373 175.943 177.300 0.027 0.000 1.769 222 P CA -0.376 62.738 63.100 0.023 0.000 1.102 222 P CB -1.923 29.787 31.700 0.017 0.000 1.937 223 I N 1.875 122.465 120.570 0.035 0.000 3.205 223 I HA -0.328 3.866 4.170 0.040 0.000 0.287 223 I C -0.604 175.533 176.117 0.034 0.000 1.266 223 I CA -0.085 61.240 61.300 0.040 0.000 1.378 223 I CB 1.326 39.358 38.000 0.054 0.000 1.347 223 I HN -0.428 7.780 8.210 0.038 0.026 0.603 224 A N 5.293 128.134 122.820 0.035 0.000 2.429 224 A HA 0.057 4.391 4.320 0.023 0.000 0.242 224 A C -1.641 175.958 177.584 0.024 0.000 1.088 224 A CA -0.916 51.138 52.037 0.028 0.000 0.784 224 A CB -0.609 18.408 19.000 0.030 0.000 1.038 224 A HN 0.160 8.334 8.150 0.041 0.000 0.501 225 P HA -0.098 4.330 4.420 0.014 0.000 0.273 225 P C -0.062 177.244 177.300 0.009 0.000 1.319 225 P CA 0.383 63.491 63.100 0.013 0.000 0.885 225 P CB -1.578 30.128 31.700 0.010 0.000 1.015 226 G N 5.101 113.905 108.800 0.007 0.000 2.232 226 G HA2 -0.357 3.596 3.960 -0.011 0.000 0.226 226 G HA3 -0.357 3.599 3.960 -0.006 0.000 0.226 226 G C -0.440 174.455 174.900 -0.008 0.000 0.996 226 G CA -0.443 44.654 45.100 -0.005 0.000 0.626 226 G HN 0.219 8.516 8.290 0.012 0.000 0.509 227 Q N 0.040 119.848 119.800 0.012 0.000 2.498 227 Q HA -0.196 4.161 4.340 0.029 0.000 0.299 227 Q C -0.009 175.992 176.000 0.002 0.000 1.178 227 Q CA 0.814 56.631 55.803 0.024 0.000 0.997 227 Q CB 0.572 29.338 28.738 0.046 0.000 1.306 227 Q HN -0.663 7.426 8.270 0.019 0.192 0.468 228 M N 3.016 122.610 119.600 -0.009 0.000 2.497 228 M HA 0.098 4.470 4.480 -0.179 0.000 0.336 228 M C 0.591 177.047 176.300 0.259 0.000 1.378 228 M CA -1.008 54.257 55.300 -0.058 0.000 1.375 228 M CB -2.048 30.320 32.600 -0.387 0.000 1.337 228 M HN 0.309 8.614 8.290 0.024 0.000 0.461 229 R N 4.690 125.370 120.500 0.300 0.000 3.157 229 R HA -0.247 4.206 4.340 0.189 0.000 0.290 229 R C -1.136 175.367 176.300 0.338 0.000 1.050 229 R CA 1.030 57.303 56.100 0.288 0.000 1.189 229 R CB 1.025 31.467 30.300 0.236 0.000 1.179 229 R HN 0.034 8.434 8.270 0.217 0.000 0.536 230 E N -0.929 119.359 120.200 0.147 0.000 2.046 230 E HA 0.215 4.556 4.350 -0.015 0.000 0.279 230 E C -1.796 174.747 176.600 -0.095 0.000 0.989 230 E CA -2.179 54.238 56.400 0.028 0.000 0.798 230 E CB 0.581 30.330 29.700 0.081 0.000 1.086 230 E HN 0.174 8.606 8.360 0.121 0.000 0.399 231 P HA 0.063 4.472 4.420 -0.275 -0.154 0.275 231 P C -0.827 176.393 177.300 -0.133 0.000 1.227 231 P CA -0.713 62.119 63.100 -0.446 0.000 0.781 231 P CB 0.772 31.834 31.700 -1.064 0.000 0.906 232 R N 0.068 120.554 120.500 -0.023 0.000 2.606 232 R HA 0.107 4.548 4.340 0.167 0.000 0.249 232 R C 1.966 178.400 176.300 0.223 0.000 1.127 232 R CA -1.306 54.862 56.100 0.112 0.000 1.133 232 R CB 1.145 31.475 30.300 0.049 0.000 1.243 232 R HN -0.357 8.146 8.270 -0.043 -0.260 0.558 233 G N -0.455 108.591 108.800 0.410 0.000 2.503 233 G HA2 -0.355 4.033 3.960 0.713 0.000 0.221 233 G HA3 -0.355 3.837 3.960 0.286 -0.060 0.221 233 G C 0.964 175.988 174.900 0.207 0.000 1.131 233 G CA 2.465 47.822 45.100 0.429 0.000 0.756 233 G HN 0.677 9.214 8.290 0.411 0.000 0.572 234 S N 1.507 117.254 115.700 0.078 0.000 2.368 234 S HA -0.357 4.102 4.470 -0.018 0.000 0.224 234 S C 1.529 176.146 174.600 0.029 0.000 1.029 234 S CA 3.445 61.657 58.200 0.019 0.000 0.988 234 S CB -0.403 62.799 63.200 0.002 0.000 0.838 234 S HN -0.008 8.337 8.310 0.072 0.008 0.462 235 D N 3.143 123.559 120.400 0.027 0.000 2.104 235 D HA -0.208 4.535 4.640 0.023 -0.088 0.194 235 D C 2.743 179.031 176.300 -0.020 0.000 0.994 235 D CA 3.370 57.365 54.000 -0.007 0.000 0.830 235 D CB -0.269 40.469 40.800 -0.102 0.000 0.959 235 D HN -0.391 7.906 8.370 0.033 0.093 0.452 236 I N -1.980 118.581 120.570 -0.015 0.000 2.567 236 I HA -0.488 3.613 4.170 -0.115 0.000 0.257 236 I C 0.720 176.762 176.117 -0.126 0.000 1.184 236 I CA 2.844 64.098 61.300 -0.077 0.000 1.451 236 I CB -0.053 37.866 38.000 -0.135 0.000 1.089 236 I HN 0.064 8.300 8.210 0.044 0.000 0.441 237 A N -3.492 119.300 122.820 -0.047 0.000 2.066 237 A HA -0.088 3.873 4.320 -0.599 0.000 0.218 237 A C 0.387 177.873 177.584 -0.163 0.000 1.157 237 A CA 0.972 52.875 52.037 -0.224 0.000 0.670 237 A CB 0.306 19.245 19.000 -0.101 0.000 0.804 237 A HN -0.711 7.291 8.150 0.046 0.176 0.453 238 G N -3.734 105.039 108.800 -0.045 0.000 2.134 238 G HA2 -0.272 3.937 3.960 0.054 0.000 0.209 238 G HA3 -0.272 3.707 3.960 0.032 0.000 0.209 238 G C 0.649 175.571 174.900 0.037 0.000 0.993 238 G CA -0.087 45.026 45.100 0.022 0.000 0.669 238 G HN -0.145 7.952 8.290 -0.024 0.178 0.519 239 T N 0.311 114.879 114.554 0.025 0.000 2.976 239 T HA -0.034 4.337 4.350 0.035 0.000 0.257 239 T C 0.741 175.470 174.700 0.048 0.000 1.051 239 T CA 3.070 65.189 62.100 0.031 0.000 1.141 239 T CB 0.542 69.418 68.868 0.014 0.000 0.881 239 T HN -0.179 8.067 8.240 0.010 0.000 0.461 240 T N 0.086 114.675 114.554 0.058 0.000 3.085 240 T HA 0.067 4.463 4.350 0.077 0.000 0.264 240 T C -1.538 173.246 174.700 0.140 0.000 1.019 240 T CA 0.684 62.833 62.100 0.083 0.000 0.910 240 T CB 0.767 69.675 68.868 0.067 0.000 1.059 240 T HN -0.371 7.899 8.240 0.049 0.000 0.542 241 S N -0.374 115.412 115.700 0.142 0.000 2.536 241 S HA 0.187 4.801 4.470 0.240 0.000 0.271 241 S C -2.006 172.684 174.600 0.150 0.000 1.134 241 S CA -0.964 57.367 58.200 0.219 0.000 0.897 241 S CB 1.083 64.492 63.200 0.348 0.000 1.094 241 S HN -0.629 7.579 8.310 0.102 0.163 0.473 242 T N 6.637 121.273 114.554 0.137 0.000 2.862 242 T HA 0.230 4.634 4.350 0.091 0.000 0.276 242 T C 0.872 175.636 174.700 0.107 0.000 0.974 242 T CA -1.153 61.007 62.100 0.100 0.000 0.966 242 T CB 1.754 70.665 68.868 0.072 0.000 1.072 242 T HN 0.384 8.708 8.240 0.141 0.000 0.538 243 L N 4.010 125.286 121.223 0.088 0.000 1.989 243 L HA -0.347 4.051 4.340 0.096 0.000 0.211 243 L C 1.435 178.354 176.870 0.081 0.000 1.071 243 L CA 4.425 59.317 54.840 0.087 0.000 0.749 243 L CB -0.287 41.819 42.059 0.077 0.000 0.890 243 L HN 0.395 8.672 8.230 0.078 0.000 0.431 244 Q N -0.948 118.891 119.800 0.065 0.000 2.045 244 Q HA -0.369 4.005 4.340 0.055 0.000 0.206 244 Q C 2.123 178.151 176.000 0.046 0.000 0.991 244 Q CA 3.855 59.688 55.803 0.050 0.000 0.851 244 Q CB -0.775 27.981 28.738 0.030 0.000 0.911 244 Q HN 0.254 8.560 8.270 0.059 0.000 0.418 245 E N -1.784 118.442 120.200 0.043 0.000 2.153 245 E HA -0.353 3.938 4.350 -0.099 0.000 0.194 245 E C 2.352 179.060 176.600 0.181 0.000 0.988 245 E CA 3.613 60.019 56.400 0.010 0.000 0.811 245 E CB -0.543 29.157 29.700 -0.000 0.000 0.746 245 E HN 0.382 8.773 8.360 0.051 0.000 0.466 246 Q N 0.584 120.507 119.800 0.206 0.000 1.941 246 Q HA -0.275 4.270 4.340 0.341 0.000 0.201 246 Q C 2.481 178.577 176.000 0.161 0.000 0.982 246 Q CA 3.267 59.203 55.803 0.221 0.000 0.839 246 Q CB -0.283 28.537 28.738 0.136 0.000 0.904 246 Q HN 0.045 8.176 8.270 0.153 0.230 0.427 247 I N -0.733 119.885 120.570 0.080 0.000 2.185 247 I HA -0.567 3.577 4.170 -0.044 0.000 0.246 247 I C 2.022 178.182 176.117 0.071 0.000 1.088 247 I CA 4.378 65.689 61.300 0.018 0.000 1.347 247 I CB -0.210 37.790 38.000 0.000 0.000 1.041 247 I HN 0.181 8.435 8.210 0.074 0.000 0.415 248 G N -0.851 108.012 108.800 0.104 0.000 2.433 248 G HA2 -0.310 3.703 3.960 0.088 0.000 0.216 248 G HA3 -0.310 3.718 3.960 0.113 0.000 0.216 248 G C 0.896 175.987 174.900 0.318 0.000 1.186 248 G CA 1.795 46.983 45.100 0.145 0.000 0.779 248 G HN -0.055 8.289 8.290 0.090 -0.001 0.543 249 W N 1.600 122.985 121.300 0.143 0.000 2.350 249 W HA -0.176 4.477 4.660 -0.012 0.000 0.289 249 W C 1.575 178.132 176.519 0.064 0.000 1.215 249 W CA 1.830 59.204 57.345 0.049 0.000 1.236 249 W CB 0.051 29.484 29.460 -0.045 0.000 1.130 249 W HN -0.026 8.156 8.180 0.306 0.182 0.541 250 M N -3.600 116.145 119.600 0.242 0.000 2.132 250 M HA 0.058 4.870 4.480 0.078 -0.286 0.263 250 M C 1.588 177.940 176.300 0.087 0.000 1.065 250 M CA 3.687 59.046 55.300 0.098 0.000 1.122 250 M CB 0.437 33.038 32.600 0.002 0.000 1.365 250 M HN -0.135 8.070 8.290 0.219 0.216 0.411 251 T N -3.597 111.013 114.554 0.094 0.000 3.223 251 T HA 0.049 4.421 4.350 0.037 0.000 0.259 251 T C -0.832 173.903 174.700 0.059 0.000 1.015 251 T CA -0.822 61.309 62.100 0.051 0.000 0.908 251 T CB 0.181 69.058 68.868 0.014 0.000 1.054 251 T HN -0.246 7.868 8.240 0.110 0.192 0.567 252 H N 1.882 120.988 119.070 0.060 0.000 2.544 252 H HA 0.067 4.637 4.556 0.024 0.000 0.365 252 H C -1.521 173.844 175.328 0.062 0.000 1.268 252 H CA 0.619 56.704 56.048 0.062 0.000 1.400 252 H CB 1.863 31.696 29.762 0.119 0.000 1.538 252 H HN -0.722 7.542 8.280 0.298 0.195 0.597 253 N N 0.544 119.339 118.700 0.158 0.000 2.483 253 N HA 0.313 5.178 4.740 0.101 -0.064 0.267 253 N C -1.582 174.030 175.510 0.169 0.000 0.998 253 N CA -2.387 50.732 53.050 0.116 0.000 0.918 253 N CB 1.043 39.552 38.487 0.036 0.000 1.215 253 N HN 0.116 8.584 8.380 0.147 0.000 0.500 254 P HA 0.271 4.747 4.420 0.094 0.000 0.274 254 P C -2.759 174.632 177.300 0.152 0.000 1.237 254 P CA -1.837 61.334 63.100 0.118 0.000 0.793 254 P CB -0.296 31.460 31.700 0.093 0.000 0.977 255 P HA -0.015 4.571 4.420 0.162 -0.069 0.282 255 P C -1.359 175.990 177.300 0.082 0.000 1.262 255 P CA -0.286 62.879 63.100 0.109 0.000 0.773 255 P CB 0.605 32.340 31.700 0.059 0.000 0.879 256 I N 5.094 125.720 120.570 0.094 0.000 2.392 256 I HA 0.330 4.505 4.170 0.008 0.000 0.295 256 I C -0.693 175.394 176.117 -0.050 0.000 0.985 256 I CA -3.150 58.160 61.300 0.017 0.000 1.221 256 I CB 1.433 39.433 38.000 0.000 0.000 1.366 256 I HN 0.089 8.393 8.210 0.156 0.000 0.467 257 P HA 0.154 4.486 4.420 -0.147 0.000 0.225 257 P C -0.515 176.622 177.300 -0.271 0.000 1.768 257 P CA -0.477 62.514 63.100 -0.182 0.000 0.943 257 P CB -1.966 29.611 31.700 -0.204 0.000 1.936 258 V N 3.097 122.885 119.914 -0.210 0.000 2.223 258 V HA -0.469 3.445 4.120 -0.343 0.000 0.244 258 V C 1.540 177.469 176.094 -0.274 0.000 1.045 258 V CA 4.921 67.071 62.300 -0.250 0.000 1.000 258 V CB -0.166 31.580 31.823 -0.128 0.000 0.635 258 V HN 0.381 8.411 8.190 -0.127 0.084 0.445 259 G N -2.967 105.731 108.800 -0.170 0.000 2.422 259 G HA2 -0.390 3.534 3.960 -0.060 0.000 0.218 259 G HA3 -0.390 3.593 3.960 -0.125 -0.098 0.218 259 G C 1.130 175.893 174.900 -0.228 0.000 1.146 259 G CA 2.279 47.293 45.100 -0.144 0.000 0.769 259 G HN 0.545 8.760 8.290 -0.124 0.000 0.547 260 E N 0.898 120.949 120.200 -0.248 0.000 2.110 260 E HA -0.335 3.879 4.350 -0.227 0.000 0.193 260 E C 2.066 178.434 176.600 -0.387 0.000 0.988 260 E CA 2.846 59.088 56.400 -0.264 0.000 0.804 260 E CB -0.266 29.306 29.700 -0.214 0.000 0.745 260 E HN -0.037 8.192 8.360 -0.218 0.000 0.458 261 I N 0.236 120.474 120.570 -0.554 0.000 2.179 261 I HA -0.473 3.259 4.170 -0.731 0.000 0.242 261 I C 1.854 177.106 176.117 -1.441 0.000 1.088 261 I CA 3.955 64.697 61.300 -0.931 0.000 1.357 261 I CB 0.063 37.447 38.000 -1.028 0.000 1.051 261 I HN 0.185 7.890 8.210 -0.496 0.208 0.409 262 Y N -0.038 119.477 120.300 -1.308 0.000 2.242 262 Y HA -0.438 3.276 4.550 -1.394 0.000 0.291 262 Y C 1.507 177.191 175.900 -0.359 0.000 1.137 262 Y CA 0.722 58.259 58.100 -0.938 0.000 1.181 262 Y CB -0.474 37.714 38.460 -0.454 0.000 0.989 262 Y HN -0.359 7.432 8.280 -0.697 0.072 0.527 263 K N -0.674 119.562 120.400 -0.272 0.000 2.057 263 K HA -0.467 3.724 4.320 -0.216 0.000 0.207 263 K C 2.396 178.955 176.600 -0.067 0.000 1.049 263 K CA 3.851 60.022 56.287 -0.194 0.000 0.931 263 K CB -0.341 32.034 32.500 -0.208 0.000 0.714 263 K HN 0.434 8.321 8.250 -0.300 0.183 0.440 264 R N -1.350 119.065 120.500 -0.142 0.000 2.120 264 R HA -0.296 4.043 4.340 -0.001 0.000 0.234 264 R C 2.565 178.951 176.300 0.142 0.000 1.123 264 R CA 3.402 59.480 56.100 -0.036 0.000 0.975 264 R CB -0.253 29.986 30.300 -0.102 0.000 0.866 264 R HN -0.073 8.030 8.270 -0.278 0.000 0.446 265 W N -1.296 120.031 121.300 0.044 0.000 2.355 265 W HA -0.156 4.528 4.660 0.041 0.000 0.309 265 W C 2.261 178.813 176.519 0.055 0.000 1.206 265 W CA 2.029 59.417 57.345 0.071 0.000 1.284 265 W CB -0.952 28.599 29.460 0.152 0.000 1.145 265 W HN -0.322 7.714 8.180 -0.027 0.127 0.502 266 I N -1.063 119.664 120.570 0.261 0.000 2.163 266 I HA -0.620 3.613 4.170 0.106 0.000 0.243 266 I C 2.204 178.329 176.117 0.014 0.000 1.085 266 I CA 4.543 65.897 61.300 0.091 0.000 1.347 266 I CB -0.516 37.498 38.000 0.023 0.000 1.044 266 I HN -0.412 7.869 8.210 0.239 0.073 0.408 267 I N -0.784 119.822 120.570 0.060 0.000 2.264 267 I HA -0.528 3.634 4.170 -0.013 0.000 0.248 267 I C 1.979 178.130 176.117 0.058 0.000 1.111 267 I CA 4.490 65.817 61.300 0.045 0.000 1.382 267 I CB -0.168 37.879 38.000 0.078 0.000 1.060 267 I HN -0.435 7.769 8.210 0.104 0.068 0.418 268 L N -0.735 120.548 121.223 0.100 0.000 1.989 268 L HA -0.453 3.937 4.340 0.084 0.000 0.211 268 L C 2.035 178.947 176.870 0.069 0.000 1.071 268 L CA 4.131 59.030 54.840 0.097 0.000 0.749 268 L CB -0.350 41.792 42.059 0.138 0.000 0.890 268 L HN 0.090 8.193 8.230 0.142 0.212 0.431 269 G N -1.983 106.858 108.800 0.069 0.000 2.484 269 G HA2 -0.366 3.621 3.960 0.045 0.000 0.215 269 G HA3 -0.366 3.626 3.960 0.054 0.000 0.215 269 G C 1.244 176.170 174.900 0.044 0.000 1.219 269 G CA 1.999 47.129 45.100 0.051 0.000 0.791 269 G HN -0.262 8.084 8.290 0.093 0.000 0.550 270 L N 0.286 121.521 121.223 0.021 0.000 2.137 270 L HA -0.517 3.874 4.340 0.086 0.000 0.213 270 L C 2.461 179.371 176.870 0.066 0.000 1.085 270 L CA 3.200 58.060 54.840 0.033 0.000 0.760 270 L CB -0.745 41.267 42.059 -0.078 0.000 0.893 270 L HN 0.479 8.702 8.230 -0.012 0.000 0.434 271 N N -1.455 117.276 118.700 0.051 0.000 2.084 271 N HA -0.363 4.415 4.740 0.064 0.000 0.190 271 N C 2.038 177.582 175.510 0.056 0.000 1.030 271 N CA 4.161 57.246 53.050 0.058 0.000 0.849 271 N CB -0.158 38.362 38.487 0.054 0.000 1.012 271 N HN 0.134 8.323 8.380 0.043 0.217 0.423 272 K N 0.375 120.803 120.400 0.047 0.000 2.097 272 K HA -0.226 4.113 4.320 0.033 0.000 0.205 272 K C 2.432 179.047 176.600 0.026 0.000 1.050 272 K CA 2.762 59.069 56.287 0.032 0.000 0.938 272 K CB -0.175 32.338 32.500 0.023 0.000 0.718 272 K HN -0.219 7.965 8.250 0.046 0.094 0.442 273 I N -0.384 120.208 120.570 0.037 0.000 2.179 273 I HA -0.466 3.679 4.170 -0.042 0.000 0.242 273 I C 2.091 178.237 176.117 0.048 0.000 1.088 273 I CA 4.151 65.459 61.300 0.014 0.000 1.357 273 I CB 0.032 38.071 38.000 0.064 0.000 1.051 273 I HN 0.253 8.307 8.210 0.051 0.187 0.409 274 V N 0.201 120.185 119.914 0.116 0.000 2.307 274 V HA -0.596 3.647 4.120 0.205 0.000 0.245 274 V C 1.603 177.762 176.094 0.109 0.000 1.045 274 V CA 4.214 66.603 62.300 0.149 0.000 1.024 274 V CB -0.232 31.676 31.823 0.142 0.000 0.651 274 V HN 0.227 8.375 8.190 0.114 0.111 0.449 275 R N -2.649 117.894 120.500 0.072 0.000 2.249 275 R HA -0.295 4.079 4.340 0.058 0.000 0.230 275 R C 2.743 179.064 176.300 0.035 0.000 1.121 275 R CA 3.060 59.191 56.100 0.052 0.000 0.997 275 R CB -0.113 30.211 30.300 0.041 0.000 0.867 275 R HN 0.062 8.256 8.270 0.067 0.117 0.465 276 M N -2.550 117.064 119.600 0.024 0.000 2.447 276 M HA -0.175 4.284 4.480 -0.034 0.000 0.266 276 M C 0.693 176.971 176.300 -0.035 0.000 1.120 276 M CA 2.762 58.044 55.300 -0.029 0.000 1.166 276 M CB 1.029 33.583 32.600 -0.076 0.000 1.349 276 M HN -0.704 7.418 8.290 0.036 0.190 0.463 277 Y N -1.751 118.505 120.300 -0.072 0.000 2.532 277 Y HA 0.059 4.576 4.550 -0.055 0.000 0.283 277 Y C -0.865 175.042 175.900 0.012 0.000 1.181 277 Y CA -0.801 57.270 58.100 -0.048 0.000 1.256 277 Y CB 0.501 38.910 38.460 -0.084 0.000 1.112 277 Y HN -0.489 7.792 8.280 0.156 0.093 0.521 278 S N 0.732 116.533 115.700 0.169 0.000 2.585 278 S HA 0.175 4.732 4.470 0.145 0.000 0.273 278 S C -1.962 172.701 174.600 0.105 0.000 1.339 278 S CA -1.529 56.747 58.200 0.126 0.000 1.028 278 S CB -0.257 62.990 63.200 0.079 0.000 0.906 278 S HN -0.536 7.754 8.310 0.108 0.085 0.528 279 P HA -0.066 4.402 4.420 0.079 0.000 0.277 279 P C -0.781 176.547 177.300 0.046 0.000 1.354 279 P CA -0.236 62.908 63.100 0.072 0.000 0.891 279 P CB -0.145 31.594 31.700 0.065 0.000 1.058 280 T N 5.093 119.668 114.554 0.036 0.000 2.835 280 T HA -0.379 3.981 4.350 0.016 0.000 0.469 280 T C -0.614 174.101 174.700 0.025 0.000 0.780 280 T CA 0.636 62.751 62.100 0.024 0.000 2.422 280 T CB -0.554 68.327 68.868 0.021 0.000 1.640 280 T HN 0.127 8.388 8.240 0.035 0.000 0.525 281 S N 4.034 119.748 115.700 0.025 0.000 2.600 281 S HA -0.088 4.398 4.470 0.027 0.000 0.265 281 S C 0.071 174.687 174.600 0.027 0.000 1.325 281 S CA 0.045 58.261 58.200 0.026 0.000 1.002 281 S CB 1.194 64.411 63.200 0.028 0.000 0.921 281 S HN 0.064 8.386 8.310 0.021 0.000 0.554 282 I N 1.673 122.261 120.570 0.031 0.000 2.793 282 I HA 0.227 4.421 4.170 0.040 0.000 0.313 282 I C -1.088 175.071 176.117 0.070 0.000 0.998 282 I CA -0.990 60.336 61.300 0.043 0.000 1.140 282 I CB 1.121 39.143 38.000 0.036 0.000 1.327 282 I HN 0.048 8.272 8.210 0.025 0.000 0.491 283 L N 2.336 123.615 121.223 0.094 0.000 2.421 283 L HA 0.335 4.742 4.340 0.112 0.000 0.263 283 L C -1.218 175.801 176.870 0.249 0.000 1.122 283 L CA -0.214 54.703 54.840 0.129 0.000 0.804 283 L CB 0.577 42.690 42.059 0.090 0.000 1.150 283 L HN -0.137 8.143 8.230 0.084 0.000 0.457 284 H N 0.468 119.600 119.070 0.104 0.000 3.043 284 H HA 0.309 4.950 4.556 0.141 0.000 0.317 284 H C -2.001 173.457 175.328 0.216 0.000 1.321 284 H CA -0.335 55.793 56.048 0.134 0.000 1.243 284 H CB 2.262 32.076 29.762 0.086 0.000 1.924 284 H HN 0.870 9.279 8.280 0.216 0.000 0.527 285 H N 2.731 121.669 119.070 -0.220 0.000 3.114 285 H HA 0.193 4.763 4.556 0.023 0.000 0.325 285 H C -2.573 172.723 175.328 -0.054 0.000 1.206 285 H CA -0.400 55.607 56.048 -0.068 0.000 1.316 285 H CB 2.216 31.956 29.762 -0.037 0.000 1.981 285 H HN 0.579 8.451 8.280 -0.680 0.000 0.527 286 H N 5.761 124.750 119.070 -0.135 0.000 3.163 286 H HA 0.215 4.600 4.556 -0.284 0.000 0.322 286 H C -1.950 173.446 175.328 0.113 0.000 1.047 286 H CA 0.488 56.451 56.048 -0.140 0.000 1.418 286 H CB 0.963 30.614 29.762 -0.185 0.000 2.016 286 H HN 0.583 8.979 8.280 0.194 0.000 0.454 287 H N 7.105 126.254 119.070 0.131 0.000 2.960 287 H HA 0.180 4.879 4.556 0.238 0.000 0.323 287 H C -1.531 173.855 175.328 0.096 0.000 1.326 287 H CA -0.906 55.240 56.048 0.163 0.000 1.124 287 H CB 1.189 31.012 29.762 0.101 0.000 1.853 287 H HN 0.199 8.418 8.280 -0.102 0.000 0.536 288 H N 1.798 120.863 119.070 -0.008 0.000 2.690 288 H HA 0.133 4.570 4.556 -0.199 0.000 0.280 288 H C -0.121 175.209 175.328 0.003 0.000 1.138 288 H CA 0.047 56.057 56.048 -0.064 0.000 1.241 288 H CB -0.783 29.017 29.762 0.065 0.000 1.394 288 H HN 0.248 8.731 8.280 0.338 0.000 0.489 289 H N 0.000 118.943 119.070 -0.211 0.000 2.539 289 H HA 0.000 4.489 4.556 -0.112 0.000 0.296 289 H CA 0.000 56.018 56.048 -0.050 0.000 1.023 289 H CB 0.000 29.758 29.762 -0.006 0.000 1.292 289 H HN 0.000 7.792 8.280 -0.813 0.000 0.496