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 1nl4_1_A DATA FIRST_RESID 55 DATA SEQUENCE FLSLDSPTYV LYRDRAEWAD IDPVPQNDGP SPVVQIIYSE KFRDVYDYFR DATA SEQUENCE AVLQRDERSE RAFKLTRDAI ELNAANYTVW HFRRVLLRSL QKDLQEEMNY DATA SEQUENCE ITAIIEEQPK NYQVWHHRRV LVEWLKDPSQ ELEFIADILN QDAKNYHAWQ DATA SEQUENCE HRQWVIQEFR LWDNELQYVD QLLKEDVRNN SVWNQRHFVI SNTTGYSDRA DATA SEQUENCE VLEREVQYTL EMIKLVPHNE SAWNYLKGIL QDRGLSRYPN LLNQLLDLQP DATA SEQUENCE SHSSPYLIAF LVDIYEDMLE NQCDNKEDIL NKALELCEIL AKEKDTIRKE DATA SEQUENCE YWRYIGRSLQ SK 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 55 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 55 F C 0.000 175.797 175.800 -0.005 0.000 0.967 55 F CA 0.000 58.009 58.000 0.015 0.000 1.383 55 F CB 0.000 39.013 39.000 0.022 0.000 1.145 56 L N 1.814 123.039 121.223 0.002 0.000 2.404 56 L HA 0.540 4.881 4.340 0.002 0.000 0.272 56 L C -0.486 176.429 176.870 0.075 0.000 0.980 56 L CA -0.502 54.288 54.840 -0.084 0.000 0.836 56 L CB 1.663 43.606 42.059 -0.194 0.000 1.238 56 L HN -0.005 8.225 8.230 -0.000 0.000 0.408 57 S N 4.425 120.177 115.700 0.086 0.000 2.560 57 S HA 0.115 4.586 4.470 0.002 0.000 0.284 57 S C 1.310 176.057 174.600 0.245 0.000 1.327 57 S CA -0.450 57.826 58.200 0.127 0.000 1.055 57 S CB 1.284 64.522 63.200 0.063 0.000 0.868 57 S HN 0.642 8.952 8.310 -0.000 0.000 0.506 58 L N 1.575 122.854 121.223 0.093 0.000 2.187 58 L HA -0.159 4.182 4.340 0.002 0.000 0.213 58 L C 1.288 177.963 176.870 -0.325 0.000 1.100 58 L CA 1.321 56.021 54.840 -0.234 0.000 0.765 58 L CB -0.245 41.707 42.059 -0.178 0.000 0.904 58 L HN 0.695 8.925 8.230 -0.000 0.000 0.437 59 D N -1.446 118.903 120.400 -0.084 0.000 2.350 59 D HA -0.019 4.622 4.640 0.002 0.000 0.213 59 D C 1.050 177.360 176.300 0.017 0.000 1.031 59 D CA 0.134 54.105 54.000 -0.050 0.000 0.861 59 D CB 0.348 41.131 40.800 -0.029 0.000 0.926 59 D HN 0.088 8.458 8.370 -0.000 0.000 0.520 60 S N 2.528 118.277 115.700 0.082 0.000 2.558 60 S HA 0.017 4.488 4.470 0.002 0.000 0.288 60 S C -1.139 173.515 174.600 0.089 0.000 1.318 60 S CA -1.017 57.229 58.200 0.076 0.000 1.056 60 S CB 1.399 64.641 63.200 0.071 0.000 0.853 60 S HN -0.070 8.240 8.310 -0.000 0.000 0.505 61 P HA -0.025 4.395 4.420 -0.000 0.000 0.223 61 P C 0.686 178.015 177.300 0.048 0.000 1.151 61 P CA 1.057 64.180 63.100 0.038 0.000 0.787 61 P CB -0.389 31.321 31.700 0.017 0.000 0.788 62 T N -4.300 110.279 114.554 0.041 0.000 3.268 62 T HA 0.223 4.574 4.350 0.002 0.000 0.258 62 T C -0.171 174.526 174.700 -0.004 0.000 0.966 62 T CA -0.838 61.266 62.100 0.006 0.000 0.952 62 T CB -1.196 67.653 68.868 -0.031 0.000 1.132 62 T HN 0.029 8.269 8.240 -0.000 0.000 0.536 63 Y N 1.555 121.819 120.300 -0.060 0.000 2.534 63 Y HA 0.715 5.265 4.550 0.001 0.000 0.329 63 Y C -0.977 174.874 175.900 -0.081 0.000 1.154 63 Y CA -0.977 57.078 58.100 -0.075 0.000 1.192 63 Y CB 1.694 40.123 38.460 -0.052 0.000 1.275 63 Y HN 0.232 8.512 8.280 -0.000 0.000 0.491 64 V N 2.000 120.746 119.914 -1.948 0.000 3.225 64 V HA 0.249 4.370 4.120 0.002 0.000 0.293 64 V C -0.893 174.733 176.094 -0.779 0.000 1.405 64 V CA -1.668 60.021 62.300 -1.019 0.000 1.038 64 V CB 1.339 32.917 31.823 -0.409 0.000 1.123 64 V HN 0.917 9.107 8.190 -0.000 0.000 0.447 65 L N 2.008 123.130 121.223 -0.168 0.000 2.700 65 L HA -0.011 4.330 4.340 0.002 0.000 0.276 65 L C 1.275 178.019 176.870 -0.211 0.000 1.200 65 L CA 0.408 55.222 54.840 -0.043 0.000 0.951 65 L CB -0.514 41.581 42.059 0.059 0.000 1.226 65 L HN 0.806 9.036 8.230 -0.000 0.000 0.489 66 Y N 3.340 123.410 120.300 -0.383 0.000 2.114 66 Y HA -0.344 4.207 4.550 0.001 0.000 0.282 66 Y C 2.606 178.183 175.900 -0.537 0.000 1.165 66 Y CA 2.283 59.946 58.100 -0.729 0.000 1.148 66 Y CB -0.334 37.346 38.460 -1.299 0.000 0.972 66 Y HN 0.598 8.878 8.280 -0.000 0.000 0.504 67 R N 0.234 120.705 120.500 -0.047 0.000 2.113 67 R HA -0.219 4.122 4.340 0.002 0.000 0.244 67 R C 1.328 177.695 176.300 0.111 0.000 1.142 67 R CA 2.216 58.462 56.100 0.244 0.000 0.953 67 R CB -0.846 29.628 30.300 0.289 0.000 0.860 67 R HN 0.199 8.469 8.270 -0.000 0.000 0.438 68 D N 0.480 120.896 120.400 0.026 0.000 2.348 68 D HA -0.021 4.620 4.640 0.002 0.000 0.216 68 D C 0.168 176.455 176.300 -0.022 0.000 0.970 68 D CA 0.653 54.654 54.000 0.002 0.000 0.889 68 D CB -0.030 40.759 40.800 -0.018 0.000 0.912 68 D HN 0.302 8.672 8.370 -0.000 0.000 0.524 69 R N 0.310 120.780 120.500 -0.050 0.000 2.389 69 R HA 0.375 4.716 4.340 0.002 0.000 0.295 69 R C 1.213 177.561 176.300 0.079 0.000 1.075 69 R CA -0.198 55.895 56.100 -0.010 0.000 1.005 69 R CB 1.081 31.360 30.300 -0.035 0.000 0.987 69 R HN -0.101 8.169 8.270 -0.000 0.000 0.452 70 A N 3.474 126.322 122.820 0.047 0.000 1.908 70 A HA -0.191 4.130 4.320 0.002 0.000 0.218 70 A C 1.627 179.233 177.584 0.037 0.000 1.181 70 A CA 1.559 53.621 52.037 0.041 0.000 0.627 70 A CB -0.242 18.770 19.000 0.018 0.000 0.818 70 A HN 0.848 8.998 8.150 -0.000 0.000 0.445 71 E N -2.017 118.201 120.200 0.029 0.000 2.502 71 E HA -0.106 4.245 4.350 0.002 0.000 0.194 71 E C -0.030 176.448 176.600 -0.204 0.000 1.062 71 E CA 0.121 56.465 56.400 -0.095 0.000 0.867 71 E CB -0.330 29.282 29.700 -0.146 0.000 0.888 71 E HN 0.821 9.181 8.360 -0.000 0.000 0.510 72 W N 0.303 121.591 121.300 -0.020 0.000 2.145 72 W HA 0.544 5.205 4.660 0.001 0.000 0.370 72 W C 0.981 177.557 176.519 0.095 0.000 0.850 72 W CA -0.188 57.167 57.345 0.016 0.000 2.615 72 W CB 1.034 30.429 29.460 -0.109 0.000 1.376 72 W HN 0.145 8.325 8.180 -0.000 0.000 0.654 73 A N -0.286 122.665 122.820 0.217 0.000 2.197 73 A HA -0.033 4.288 4.320 0.002 0.000 0.210 73 A C 1.711 179.386 177.584 0.152 0.000 1.180 73 A CA 0.846 53.001 52.037 0.196 0.000 0.846 73 A CB -0.080 18.991 19.000 0.118 0.000 0.884 73 A HN 0.337 8.487 8.150 -0.000 0.000 0.487 74 D N -0.096 120.365 120.400 0.101 0.000 2.352 74 D HA 0.065 4.706 4.640 0.002 0.000 0.232 74 D C 0.233 176.589 176.300 0.094 0.000 1.055 74 D CA 0.351 54.387 54.000 0.060 0.000 0.891 74 D CB 0.077 40.876 40.800 -0.003 0.000 0.897 74 D HN 0.436 8.806 8.370 -0.000 0.000 0.529 75 I N 0.648 121.337 120.570 0.198 0.000 2.608 75 I HA 0.187 4.358 4.170 0.002 0.000 0.295 75 I C -0.571 175.649 176.117 0.171 0.000 1.049 75 I CA -0.942 60.482 61.300 0.208 0.000 1.063 75 I CB 2.430 40.648 38.000 0.362 0.000 1.248 75 I HN -0.291 7.919 8.210 -0.000 0.000 0.424 76 D N 7.087 127.501 120.400 0.025 0.000 2.317 76 D HA 0.246 4.887 4.640 0.002 0.000 0.234 76 D C -2.303 173.846 176.300 -0.251 0.000 1.112 76 D CA -1.022 52.934 54.000 -0.073 0.000 0.840 76 D CB 1.592 42.367 40.800 -0.042 0.000 1.078 76 D HN 0.203 8.573 8.370 -0.000 0.000 0.486 77 P HA -0.015 4.405 4.420 -0.000 0.000 0.264 77 P C -0.076 177.032 177.300 -0.320 0.000 1.229 77 P CA -0.180 62.485 63.100 -0.725 0.000 0.780 77 P CB 0.534 31.721 31.700 -0.855 0.000 0.808 78 V N 7.543 127.310 119.914 -0.245 0.000 2.455 78 V HA 0.169 4.290 4.120 0.002 0.000 0.273 78 V C -1.465 174.576 176.094 -0.089 0.000 1.045 78 V CA -1.357 60.865 62.300 -0.129 0.000 0.976 78 V CB 0.629 32.391 31.823 -0.103 0.000 0.993 78 V HN 0.558 8.748 8.190 -0.000 0.000 0.475 79 P HA 0.214 4.634 4.420 -0.000 0.000 0.279 79 P C -0.819 176.492 177.300 0.018 0.000 1.252 79 P CA -0.732 62.365 63.100 -0.005 0.000 0.811 79 P CB 0.920 32.623 31.700 0.005 0.000 1.035 80 Q N 1.362 121.193 119.800 0.051 0.000 2.332 80 Q HA 0.091 4.432 4.340 0.002 0.000 0.263 80 Q C -0.110 175.922 176.000 0.053 0.000 0.979 80 Q CA -0.116 55.724 55.803 0.060 0.000 0.885 80 Q CB 0.115 28.914 28.738 0.101 0.000 1.218 80 Q HN 0.250 8.520 8.270 -0.000 0.000 0.405 81 N N 3.257 121.981 118.700 0.039 0.000 2.955 81 N HA 0.102 4.842 4.740 0.002 0.000 0.242 81 N C -1.142 174.386 175.510 0.031 0.000 1.123 81 N CA -0.299 52.769 53.050 0.029 0.000 0.949 81 N CB 0.680 39.177 38.487 0.018 0.000 1.214 81 N HN 0.489 8.869 8.380 -0.000 0.000 0.504 82 D N 1.810 122.231 120.400 0.035 0.000 2.336 82 D HA 0.204 4.845 4.640 0.002 0.000 0.229 82 D C 0.695 177.004 176.300 0.014 0.000 1.061 82 D CA 0.704 54.721 54.000 0.027 0.000 0.875 82 D CB -0.369 40.446 40.800 0.025 0.000 0.904 82 D HN 0.717 9.087 8.370 -0.000 0.000 0.525 83 G N 1.612 110.420 108.800 0.013 0.000 2.716 83 G HA2 -0.180 3.781 3.960 0.002 0.000 0.686 83 G HA3 -0.180 3.781 3.960 0.002 0.000 0.686 83 G C -1.639 173.263 174.900 0.004 0.000 1.337 83 G CA -0.666 44.438 45.100 0.008 0.000 0.829 83 G HN -0.078 8.212 8.290 -0.000 0.000 0.599 84 P HA -0.025 4.395 4.420 -0.000 0.000 0.218 84 P C 0.720 178.019 177.300 -0.002 0.000 1.146 84 P CA 1.694 64.795 63.100 0.001 0.000 0.813 84 P CB 0.122 31.823 31.700 0.001 0.000 0.778 85 S N 0.200 115.898 115.700 -0.003 0.000 2.259 85 S HA 0.383 4.854 4.470 0.002 0.000 0.181 85 S C -2.430 172.164 174.600 -0.009 0.000 1.589 85 S CA -1.021 57.175 58.200 -0.007 0.000 1.234 85 S CB 0.643 63.840 63.200 -0.006 0.000 1.119 85 S HN 0.055 8.365 8.310 -0.000 0.000 0.458 86 P HA 0.365 4.785 4.420 -0.000 0.000 0.270 86 P C -0.562 176.724 177.300 -0.022 0.000 1.227 86 P CA -0.447 62.642 63.100 -0.018 0.000 0.788 86 P CB 0.452 32.136 31.700 -0.027 0.000 0.926 87 V N -2.803 117.096 119.914 -0.024 0.000 3.087 87 V HA 0.414 4.535 4.120 0.002 0.000 0.306 87 V C 0.239 176.313 176.094 -0.034 0.000 1.187 87 V CA -1.163 61.122 62.300 -0.026 0.000 0.999 87 V CB 1.348 33.162 31.823 -0.016 0.000 1.049 87 V HN 0.596 8.787 8.190 -0.000 0.000 0.431 88 V N -1.085 118.806 119.914 -0.039 0.000 5.404 88 V HA -0.228 3.893 4.120 0.002 0.000 0.249 88 V C 0.260 176.315 176.094 -0.066 0.000 0.682 88 V CA 1.678 63.950 62.300 -0.047 0.000 0.608 88 V CB -2.037 29.769 31.823 -0.030 0.000 0.311 88 V HN 1.584 9.774 8.190 -0.000 0.000 0.680 89 Q N 1.620 121.365 119.800 -0.091 0.000 2.303 89 Q HA 0.675 5.016 4.340 0.002 0.000 0.257 89 Q C -0.224 175.634 176.000 -0.237 0.000 0.941 89 Q CA -1.000 54.722 55.803 -0.136 0.000 0.931 89 Q CB 1.475 30.145 28.738 -0.112 0.000 1.215 89 Q HN 0.820 9.090 8.270 -0.000 0.000 0.437 90 I N 3.935 124.276 120.570 -0.382 0.000 2.428 90 I HA 0.156 4.327 4.170 0.002 0.000 0.289 90 I C 0.168 175.772 176.117 -0.856 0.000 1.019 90 I CA -0.732 60.235 61.300 -0.555 0.000 1.351 90 I CB 0.992 38.672 38.000 -0.534 0.000 1.412 90 I HN 0.564 8.774 8.210 -0.000 0.000 0.513 91 I N 7.375 127.633 120.570 -0.520 0.000 2.260 91 I HA 0.131 4.302 4.170 0.002 0.000 0.297 91 I C 0.018 175.923 176.117 -0.353 0.000 1.143 91 I CA -0.206 60.853 61.300 -0.402 0.000 1.271 91 I CB -1.231 36.646 38.000 -0.206 0.000 1.461 91 I HN 0.423 8.633 8.210 -0.000 0.000 0.530 92 Y N 3.170 123.389 120.300 -0.135 0.000 2.379 92 Y HA 0.154 4.705 4.550 0.001 0.000 0.337 92 Y C 1.548 177.427 175.900 -0.035 0.000 1.238 92 Y CA -0.642 57.355 58.100 -0.171 0.000 1.405 92 Y CB 0.479 38.900 38.460 -0.066 0.000 1.310 92 Y HN 0.538 8.818 8.280 -0.000 0.000 0.569 93 S N 0.030 115.841 115.700 0.185 0.000 2.585 93 S HA 0.014 4.485 4.470 0.002 0.000 0.273 93 S C 0.940 175.665 174.600 0.209 0.000 1.339 93 S CA -0.718 57.576 58.200 0.156 0.000 1.028 93 S CB 1.246 64.531 63.200 0.142 0.000 0.906 93 S HN 0.798 9.108 8.310 -0.000 0.000 0.528 94 E N 1.264 121.554 120.200 0.151 0.000 2.171 94 E HA -0.216 4.135 4.350 0.002 0.000 0.197 94 E C 1.849 178.556 176.600 0.179 0.000 0.997 94 E CA 1.816 58.308 56.400 0.152 0.000 0.810 94 E CB -0.164 29.606 29.700 0.117 0.000 0.738 94 E HN 0.789 9.149 8.360 -0.000 0.000 0.467 95 K N -1.029 119.475 120.400 0.173 0.000 2.025 95 K HA -0.130 4.191 4.320 0.002 0.000 0.207 95 K C 2.026 178.738 176.600 0.187 0.000 1.049 95 K CA 1.316 57.702 56.287 0.165 0.000 0.933 95 K CB -0.444 32.103 32.500 0.078 0.000 0.714 95 K HN 0.193 8.443 8.250 -0.000 0.000 0.438 96 F N 1.550 121.540 119.950 0.066 0.000 2.095 96 F HA -0.161 4.367 4.527 0.001 0.000 0.298 96 F C 2.333 178.164 175.800 0.051 0.000 1.104 96 F CA 1.515 59.549 58.000 0.057 0.000 1.232 96 F CB -0.004 39.012 39.000 0.027 0.000 0.987 96 F HN -0.026 8.274 8.300 -0.000 0.000 0.475 97 R N 0.065 120.769 120.500 0.341 0.000 2.081 97 R HA -0.208 4.133 4.340 0.002 0.000 0.235 97 R C 1.970 178.353 176.300 0.137 0.000 1.131 97 R CA 1.857 58.085 56.100 0.213 0.000 0.960 97 R CB -0.718 29.735 30.300 0.255 0.000 0.856 97 R HN 0.378 8.648 8.270 -0.000 0.000 0.436 98 D N -0.164 120.326 120.400 0.150 0.000 2.108 98 D HA -0.164 4.477 4.640 0.002 0.000 0.190 98 D C 1.796 178.129 176.300 0.054 0.000 0.995 98 D CA 1.690 55.786 54.000 0.161 0.000 0.834 98 D CB -0.116 40.802 40.800 0.196 0.000 0.967 98 D HN -0.060 8.310 8.370 -0.000 0.000 0.446 99 V N -0.429 119.433 119.914 -0.087 0.000 2.282 99 V HA -0.286 3.835 4.120 0.002 0.000 0.249 99 V C 2.213 178.044 176.094 -0.438 0.000 1.057 99 V CA 1.945 63.990 62.300 -0.424 0.000 1.032 99 V CB -0.768 30.799 31.823 -0.427 0.000 0.645 99 V HN 0.344 8.534 8.190 -0.000 0.000 0.447 100 Y N -0.090 120.014 120.300 -0.326 0.000 2.314 100 Y HA -0.134 4.417 4.550 0.001 0.000 0.293 100 Y C 2.400 178.235 175.900 -0.109 0.000 1.129 100 Y CA 1.419 59.367 58.100 -0.253 0.000 1.201 100 Y CB -0.287 37.946 38.460 -0.377 0.000 0.999 100 Y HN 0.291 8.571 8.280 -0.000 0.000 0.541 101 D N -1.066 119.354 120.400 0.034 0.000 2.144 101 D HA -0.203 4.438 4.640 0.002 0.000 0.199 101 D C 1.702 177.907 176.300 -0.160 0.000 0.984 101 D CA 1.487 55.459 54.000 -0.046 0.000 0.834 101 D CB -0.368 40.392 40.800 -0.066 0.000 0.955 101 D HN 0.347 8.717 8.370 -0.000 0.000 0.465 102 Y N -0.854 119.337 120.300 -0.182 0.000 2.337 102 Y HA -0.056 4.495 4.550 0.002 0.000 0.293 102 Y C 2.041 177.810 175.900 -0.218 0.000 1.123 102 Y CA 0.482 58.433 58.100 -0.248 0.000 1.201 102 Y CB -0.276 37.848 38.460 -0.560 0.000 1.011 102 Y HN -0.063 8.217 8.280 -0.000 0.000 0.545 103 F N 0.760 120.546 119.950 -0.272 0.000 2.146 103 F HA -0.173 4.355 4.527 0.002 0.000 0.298 103 F C 2.250 177.920 175.800 -0.216 0.000 1.096 103 F CA 1.394 59.216 58.000 -0.298 0.000 1.275 103 F CB -0.267 38.449 39.000 -0.474 0.000 1.008 103 F HN -0.197 8.103 8.300 -0.000 0.000 0.480 104 R N 0.257 120.736 120.500 -0.035 0.000 2.103 104 R HA -0.220 4.121 4.340 0.002 0.000 0.242 104 R C 2.467 178.633 176.300 -0.223 0.000 1.142 104 R CA 1.640 57.677 56.100 -0.105 0.000 0.960 104 R CB -0.911 29.375 30.300 -0.022 0.000 0.858 104 R HN 0.434 8.704 8.270 -0.000 0.000 0.439 105 A N 0.174 122.882 122.820 -0.185 0.000 1.832 105 A HA -0.114 4.207 4.320 0.002 0.000 0.214 105 A C 2.324 179.811 177.584 -0.163 0.000 1.200 105 A CA 1.405 53.355 52.037 -0.146 0.000 0.610 105 A CB -0.899 18.039 19.000 -0.103 0.000 0.842 105 A HN 0.143 8.293 8.150 -0.000 0.000 0.444 106 V N -0.172 119.659 119.914 -0.140 0.000 2.324 106 V HA -0.265 3.855 4.120 0.002 0.000 0.250 106 V C 2.547 178.420 176.094 -0.369 0.000 1.060 106 V CA 2.289 64.516 62.300 -0.123 0.000 1.042 106 V CB -0.666 31.158 31.823 0.002 0.000 0.650 106 V HN 0.614 8.804 8.190 -0.000 0.000 0.450 107 L N -0.311 120.456 121.223 -0.760 0.000 2.005 107 L HA -0.186 4.155 4.340 0.002 0.000 0.207 107 L C 2.450 179.039 176.870 -0.469 0.000 1.072 107 L CA 2.365 56.605 54.840 -0.999 0.000 0.744 107 L CB -1.023 40.313 42.059 -1.205 0.000 0.895 107 L HN 0.375 8.605 8.230 -0.000 0.000 0.433 108 Q N -0.505 119.099 119.800 -0.328 0.000 2.096 108 Q HA -0.283 4.058 4.340 0.002 0.000 0.208 108 Q C 2.321 178.252 176.000 -0.115 0.000 0.993 108 Q CA 2.284 57.983 55.803 -0.175 0.000 0.862 108 Q CB -0.081 28.578 28.738 -0.132 0.000 0.915 108 Q HN 0.522 8.792 8.270 -0.000 0.000 0.416 109 R N -0.040 120.398 120.500 -0.104 0.000 2.189 109 R HA -0.085 4.256 4.340 0.002 0.000 0.218 109 R C 0.438 176.732 176.300 -0.011 0.000 1.074 109 R CA 0.816 56.890 56.100 -0.043 0.000 0.991 109 R CB 0.108 30.396 30.300 -0.021 0.000 0.883 109 R HN 0.278 8.548 8.270 -0.000 0.000 0.457 110 D N 1.060 121.444 120.400 -0.026 0.000 2.907 110 D HA -0.186 4.455 4.640 0.002 0.000 0.226 110 D C -0.688 175.713 176.300 0.168 0.000 1.141 110 D CA 0.611 54.674 54.000 0.104 0.000 0.779 110 D CB -1.116 39.745 40.800 0.101 0.000 1.095 110 D HN 0.398 8.768 8.370 -0.000 0.000 0.430 111 E N 0.804 121.083 120.200 0.132 0.000 2.161 111 E HA -0.017 4.334 4.350 0.002 0.000 0.263 111 E C 0.112 176.826 176.600 0.190 0.000 1.185 111 E CA 0.008 56.478 56.400 0.117 0.000 0.938 111 E CB 0.276 30.023 29.700 0.077 0.000 1.023 111 E HN 0.213 8.573 8.360 -0.000 0.000 0.433 112 R N 3.272 123.832 120.500 0.099 0.000 4.071 112 R HA 0.089 4.430 4.340 0.002 0.000 0.220 112 R C -0.100 176.191 176.300 -0.016 0.000 1.614 112 R CA -0.176 55.936 56.100 0.020 0.000 1.505 112 R CB 0.238 30.516 30.300 -0.035 0.000 1.384 112 R HN 0.365 8.635 8.270 -0.000 0.000 0.758 113 S N -1.079 114.634 115.700 0.022 0.000 2.664 113 S HA 0.179 4.650 4.470 0.002 0.000 0.304 113 S C 1.010 175.620 174.600 0.017 0.000 1.099 113 S CA -0.868 57.324 58.200 -0.014 0.000 1.003 113 S CB 2.241 65.415 63.200 -0.043 0.000 1.092 113 S HN 0.294 8.604 8.310 -0.000 0.000 0.525 114 E N 1.527 121.710 120.200 -0.028 0.000 2.085 114 E HA -0.205 4.146 4.350 0.002 0.000 0.194 114 E C 2.143 178.811 176.600 0.113 0.000 0.994 114 E CA 2.179 58.584 56.400 0.008 0.000 0.801 114 E CB -0.374 29.283 29.700 -0.072 0.000 0.743 114 E HN 0.801 9.161 8.360 -0.000 0.000 0.453 115 R N 0.033 120.555 120.500 0.036 0.000 2.096 115 R HA 0.030 4.371 4.340 0.002 0.000 0.235 115 R C 2.297 178.824 176.300 0.377 0.000 1.127 115 R CA 1.464 57.637 56.100 0.122 0.000 0.968 115 R CB -0.664 29.516 30.300 -0.200 0.000 0.861 115 R HN 0.133 8.403 8.270 -0.000 0.000 0.440 116 A N 1.312 124.314 122.820 0.303 0.000 1.855 116 A HA -0.126 4.194 4.320 0.002 0.000 0.215 116 A C 2.008 179.800 177.584 0.348 0.000 1.191 116 A CA 1.131 53.413 52.037 0.408 0.000 0.613 116 A CB -0.790 18.431 19.000 0.367 0.000 0.829 116 A HN 0.432 8.582 8.150 -0.000 0.000 0.442 117 F N 1.200 121.211 119.950 0.102 0.000 2.032 117 F HA -0.284 4.244 4.527 0.001 0.000 0.297 117 F C 2.200 178.018 175.800 0.031 0.000 1.125 117 F CA 2.505 60.518 58.000 0.022 0.000 1.202 117 F CB -0.420 38.556 39.000 -0.040 0.000 0.958 117 F HN 0.166 8.466 8.300 -0.000 0.000 0.491 118 K N -0.228 120.224 120.400 0.086 0.000 2.160 118 K HA -0.222 4.099 4.320 0.002 0.000 0.206 118 K C 1.941 178.536 176.600 -0.009 0.000 1.047 118 K CA 1.660 57.931 56.287 -0.026 0.000 0.930 118 K CB -0.642 31.947 32.500 0.149 0.000 0.720 118 K HN 0.361 8.611 8.250 -0.000 0.000 0.450 119 L N 1.303 122.593 121.223 0.110 0.000 2.156 119 L HA -0.123 4.218 4.340 0.002 0.000 0.208 119 L C 2.279 179.076 176.870 -0.122 0.000 1.095 119 L CA 1.962 56.826 54.840 0.039 0.000 0.770 119 L CB -0.819 41.273 42.059 0.054 0.000 0.914 119 L HN 0.239 8.469 8.230 -0.000 0.000 0.439 120 T N -3.469 111.023 114.554 -0.103 0.000 2.881 120 T HA -0.183 4.168 4.350 0.002 0.000 0.270 120 T C 2.138 176.608 174.700 -0.384 0.000 1.068 120 T CA 0.831 62.801 62.100 -0.218 0.000 1.131 120 T CB -0.521 68.262 68.868 -0.143 0.000 0.871 120 T HN 0.302 8.542 8.240 -0.000 0.000 0.479 121 R N 1.348 121.622 120.500 -0.375 0.000 2.080 121 R HA -0.128 4.213 4.340 0.002 0.000 0.236 121 R C 1.937 178.120 176.300 -0.197 0.000 1.137 121 R CA 2.079 57.987 56.100 -0.319 0.000 0.943 121 R CB -0.721 29.399 30.300 -0.300 0.000 0.846 121 R HN 0.436 8.706 8.270 -0.000 0.000 0.431 122 D N 0.027 120.333 120.400 -0.156 0.000 2.117 122 D HA -0.119 4.522 4.640 0.002 0.000 0.197 122 D C 1.701 177.840 176.300 -0.268 0.000 0.987 122 D CA 1.529 55.456 54.000 -0.122 0.000 0.829 122 D CB -0.300 40.502 40.800 0.003 0.000 0.961 122 D HN 0.292 8.662 8.370 -0.000 0.000 0.460 123 A N 0.329 122.877 122.820 -0.453 0.000 1.972 123 A HA -0.122 4.199 4.320 0.002 0.000 0.219 123 A C 2.336 179.639 177.584 -0.468 0.000 1.169 123 A CA 0.830 52.432 52.037 -0.725 0.000 0.635 123 A CB -0.567 17.767 19.000 -1.109 0.000 0.810 123 A HN 0.207 8.357 8.150 -0.000 0.000 0.446 124 I N -1.164 119.161 120.570 -0.409 0.000 2.333 124 I HA -0.166 4.004 4.170 0.002 0.000 0.246 124 I C 2.520 178.565 176.117 -0.119 0.000 1.106 124 I CA 1.286 62.385 61.300 -0.335 0.000 1.411 124 I CB -0.200 37.489 38.000 -0.520 0.000 1.082 124 I HN 0.470 8.680 8.210 -0.000 0.000 0.420 125 E N 1.242 121.384 120.200 -0.097 0.000 2.118 125 E HA -0.240 4.111 4.350 0.002 0.000 0.195 125 E C 2.329 178.930 176.600 0.001 0.000 0.992 125 E CA 1.255 57.639 56.400 -0.028 0.000 0.804 125 E CB 0.001 29.683 29.700 -0.029 0.000 0.741 125 E HN 0.461 8.821 8.360 -0.000 0.000 0.458 126 L N 0.048 121.253 121.223 -0.029 0.000 2.141 126 L HA -0.110 4.231 4.340 0.002 0.000 0.209 126 L C 1.032 178.027 176.870 0.210 0.000 1.094 126 L CA 0.735 55.613 54.840 0.064 0.000 0.763 126 L CB -0.049 41.935 42.059 -0.124 0.000 0.908 126 L HN 0.123 8.353 8.230 -0.000 0.000 0.437 127 N N -0.944 117.836 118.700 0.134 0.000 2.976 127 N HA 0.170 4.911 4.740 0.002 0.000 0.220 127 N C 0.227 175.823 175.510 0.142 0.000 1.428 127 N CA 0.317 53.475 53.050 0.180 0.000 0.748 127 N CB 0.856 39.479 38.487 0.227 0.000 1.484 127 N HN 0.013 8.393 8.380 -0.000 0.000 0.578 128 A N 1.639 124.559 122.820 0.166 0.000 2.131 128 A HA 0.051 4.372 4.320 0.002 0.000 0.220 128 A C 1.859 179.696 177.584 0.422 0.000 1.158 128 A CA 1.716 53.928 52.037 0.291 0.000 0.665 128 A CB -0.367 18.787 19.000 0.256 0.000 0.795 128 A HN 0.689 8.839 8.150 -0.000 0.000 0.460 129 A N -0.428 122.564 122.820 0.287 0.000 2.208 129 A HA 0.043 4.364 4.320 0.002 0.000 0.209 129 A C 1.133 178.928 177.584 0.352 0.000 1.161 129 A CA 0.068 52.284 52.037 0.299 0.000 0.782 129 A CB -0.404 18.725 19.000 0.215 0.000 0.816 129 A HN 0.419 8.569 8.150 -0.000 0.000 0.477 130 N N 1.125 119.989 118.700 0.273 0.000 2.498 130 N HA 0.004 4.745 4.740 0.002 0.000 0.277 130 N C 0.748 176.392 175.510 0.224 0.000 1.208 130 N CA 0.000 53.131 53.050 0.135 0.000 1.029 130 N CB -0.141 38.337 38.487 -0.014 0.000 1.403 130 N HN 0.612 8.992 8.380 -0.000 0.000 0.500 131 Y N 1.236 121.722 120.300 0.308 0.000 2.315 131 Y HA -0.115 4.436 4.550 0.001 0.000 0.288 131 Y C 1.792 177.900 175.900 0.346 0.000 1.154 131 Y CA 0.834 59.159 58.100 0.375 0.000 1.229 131 Y CB -0.726 37.872 38.460 0.229 0.000 0.980 131 Y HN 0.150 8.430 8.280 -0.000 0.000 0.540 132 T N 0.607 114.939 114.554 -0.370 0.000 2.737 132 T HA -0.148 4.203 4.350 0.002 0.000 0.265 132 T C 2.063 176.876 174.700 0.188 0.000 1.038 132 T CA 1.788 63.836 62.100 -0.088 0.000 1.144 132 T CB -0.696 68.047 68.868 -0.208 0.000 0.866 132 T HN 0.279 8.519 8.240 -0.000 0.000 0.434 133 V N -0.101 119.799 119.914 -0.024 0.000 2.287 133 V HA -0.200 3.921 4.120 0.002 0.000 0.248 133 V C 2.082 178.229 176.094 0.088 0.000 1.053 133 V CA 1.488 63.740 62.300 -0.081 0.000 1.027 133 V CB -0.857 30.574 31.823 -0.653 0.000 0.646 133 V HN 0.593 8.783 8.190 -0.000 0.000 0.447 134 W N -0.659 120.729 121.300 0.146 0.000 2.331 134 W HA -0.207 4.454 4.660 0.001 0.000 0.291 134 W C 2.583 179.287 176.519 0.308 0.000 1.214 134 W CA 1.913 59.368 57.345 0.184 0.000 1.228 134 W CB -0.307 29.274 29.460 0.202 0.000 1.135 134 W HN 0.360 8.540 8.180 -0.000 0.000 0.537 135 H N -1.256 118.104 119.070 0.483 0.000 2.284 135 H HA -0.190 4.367 4.556 0.002 0.000 0.304 135 H C 2.116 177.702 175.328 0.430 0.000 1.069 135 H CA 1.907 58.221 56.048 0.444 0.000 1.327 135 H CB -0.845 29.153 29.762 0.392 0.000 1.387 135 H HN 0.114 8.394 8.280 -0.000 0.000 0.498 136 F N 2.231 122.419 119.950 0.397 0.000 2.154 136 F HA -0.205 4.323 4.527 0.001 0.000 0.301 136 F C 2.932 178.867 175.800 0.224 0.000 1.087 136 F CA 1.724 59.897 58.000 0.287 0.000 1.274 136 F CB -0.401 38.780 39.000 0.302 0.000 1.009 136 F HN 0.061 8.361 8.300 -0.000 0.000 0.485 137 R N 0.145 120.811 120.500 0.276 0.000 2.096 137 R HA -0.137 4.203 4.340 0.002 0.000 0.235 137 R C 2.416 178.858 176.300 0.236 0.000 1.127 137 R CA 1.432 57.632 56.100 0.167 0.000 0.968 137 R CB -0.211 30.131 30.300 0.070 0.000 0.861 137 R HN 0.251 8.521 8.270 -0.000 0.000 0.440 138 R N -0.299 120.374 120.500 0.290 0.000 2.189 138 R HA -0.046 4.295 4.340 0.002 0.000 0.223 138 R C 2.119 178.555 176.300 0.228 0.000 1.092 138 R CA 0.995 57.307 56.100 0.352 0.000 0.989 138 R CB 0.048 30.518 30.300 0.284 0.000 0.876 138 R HN 0.134 8.404 8.270 -0.000 0.000 0.457 139 V N 1.298 121.231 119.914 0.031 0.000 2.379 139 V HA -0.189 3.932 4.120 0.002 0.000 0.245 139 V C 2.299 178.318 176.094 -0.125 0.000 1.044 139 V CA 1.410 63.677 62.300 -0.055 0.000 1.036 139 V CB -0.340 31.426 31.823 -0.095 0.000 0.664 139 V HN 0.286 8.476 8.190 -0.000 0.000 0.453 140 L N -0.694 120.405 121.223 -0.207 0.000 2.083 140 L HA -0.178 4.163 4.340 0.002 0.000 0.209 140 L C 2.459 179.242 176.870 -0.145 0.000 1.083 140 L CA 1.465 56.184 54.840 -0.201 0.000 0.752 140 L CB -0.583 41.404 42.059 -0.120 0.000 0.899 140 L HN 0.328 8.558 8.230 -0.000 0.000 0.433 141 L N -0.401 120.824 121.223 0.004 0.000 2.012 141 L HA -0.243 4.098 4.340 0.002 0.000 0.210 141 L C 2.917 179.705 176.870 -0.137 0.000 1.073 141 L CA 1.533 56.378 54.840 0.009 0.000 0.748 141 L CB -0.384 41.869 42.059 0.322 0.000 0.891 141 L HN 0.269 8.499 8.230 -0.000 0.000 0.431 142 R N -0.929 119.471 120.500 -0.167 0.000 2.055 142 R HA -0.132 4.209 4.340 0.002 0.000 0.228 142 R C 2.553 178.729 176.300 -0.206 0.000 1.143 142 R CA 1.463 57.393 56.100 -0.283 0.000 0.945 142 R CB -0.669 29.464 30.300 -0.278 0.000 0.841 142 R HN 0.227 8.497 8.270 -0.000 0.000 0.429 143 S N 1.291 116.893 115.700 -0.163 0.000 2.378 143 S HA -0.131 4.340 4.470 0.002 0.000 0.221 143 S C 1.874 176.378 174.600 -0.160 0.000 1.037 143 S CA 1.353 59.467 58.200 -0.143 0.000 1.069 143 S CB -0.336 62.785 63.200 -0.131 0.000 1.006 143 S HN 0.262 8.572 8.310 -0.000 0.000 0.423 144 L N 1.227 122.332 121.223 -0.197 0.000 2.633 144 L HA 0.063 4.404 4.340 0.002 0.000 0.235 144 L C 0.576 177.313 176.870 -0.220 0.000 1.163 144 L CA 0.478 55.185 54.840 -0.222 0.000 0.859 144 L CB -0.843 41.025 42.059 -0.320 0.000 0.973 144 L HN 0.498 8.728 8.230 -0.000 0.000 0.451 145 Q N 1.499 121.175 119.800 -0.207 0.000 2.443 145 Q HA -0.150 4.191 4.340 0.002 0.000 0.362 145 Q C -0.490 175.397 176.000 -0.189 0.000 1.423 145 Q CA 0.879 56.570 55.803 -0.187 0.000 1.037 145 Q CB -0.638 28.009 28.738 -0.151 0.000 1.208 145 Q HN 0.395 8.665 8.270 -0.000 0.000 0.334 146 K N 1.409 121.684 120.400 -0.209 0.000 2.110 146 K HA 0.204 4.525 4.320 0.002 0.000 0.263 146 K C 0.087 176.635 176.600 -0.087 0.000 0.975 146 K CA -0.695 55.473 56.287 -0.199 0.000 0.895 146 K CB 0.815 33.126 32.500 -0.315 0.000 1.060 146 K HN 0.225 8.475 8.250 -0.000 0.000 0.448 147 D N 3.417 123.782 120.400 -0.057 0.000 2.368 147 D HA -0.037 4.604 4.640 0.002 0.000 0.268 147 D C 1.024 177.353 176.300 0.047 0.000 1.298 147 D CA 0.153 54.150 54.000 -0.007 0.000 0.938 147 D CB 0.509 41.309 40.800 -0.000 0.000 1.101 147 D HN 0.386 8.756 8.370 -0.000 0.000 0.509 148 L N 3.123 124.389 121.223 0.071 0.000 2.083 148 L HA -0.213 4.128 4.340 0.002 0.000 0.209 148 L C 2.369 179.307 176.870 0.113 0.000 1.083 148 L CA 0.796 55.718 54.840 0.137 0.000 0.752 148 L CB -0.342 41.829 42.059 0.187 0.000 0.899 148 L HN 0.403 8.633 8.230 -0.000 0.000 0.433 149 Q N 0.410 120.254 119.800 0.073 0.000 2.124 149 Q HA -0.240 4.101 4.340 0.002 0.000 0.202 149 Q C 2.018 178.051 176.000 0.055 0.000 0.977 149 Q CA 1.621 57.452 55.803 0.048 0.000 0.850 149 Q CB -0.116 28.639 28.738 0.028 0.000 0.901 149 Q HN 0.431 8.701 8.270 -0.000 0.000 0.429 150 E N -0.357 119.883 120.200 0.068 0.000 2.051 150 E HA -0.256 4.095 4.350 0.002 0.000 0.192 150 E C 1.668 178.344 176.600 0.127 0.000 0.991 150 E CA 1.384 57.834 56.400 0.082 0.000 0.799 150 E CB -0.032 29.714 29.700 0.077 0.000 0.748 150 E HN 0.348 8.708 8.360 -0.000 0.000 0.449 151 E N 0.047 120.343 120.200 0.160 0.000 2.110 151 E HA -0.188 4.163 4.350 0.002 0.000 0.193 151 E C 2.000 178.736 176.600 0.227 0.000 0.988 151 E CA 1.130 57.674 56.400 0.240 0.000 0.804 151 E CB -0.089 29.783 29.700 0.286 0.000 0.745 151 E HN 0.210 8.570 8.360 -0.000 0.000 0.458 152 M N 0.729 120.400 119.600 0.117 0.000 2.080 152 M HA -0.170 4.311 4.480 0.002 0.000 0.260 152 M C 1.645 177.925 176.300 -0.034 0.000 1.068 152 M CA 1.415 56.724 55.300 0.016 0.000 1.109 152 M CB -1.110 31.471 32.600 -0.031 0.000 1.342 152 M HN 0.199 8.489 8.290 -0.000 0.000 0.405 153 N N -0.346 118.359 118.700 0.009 0.000 2.104 153 N HA -0.217 4.524 4.740 0.002 0.000 0.190 153 N C 1.659 177.185 175.510 0.027 0.000 1.024 153 N CA 1.360 54.403 53.050 -0.012 0.000 0.853 153 N CB -0.930 37.575 38.487 0.029 0.000 1.008 153 N HN 0.438 8.818 8.380 -0.000 0.000 0.424 154 Y N 1.637 121.932 120.300 -0.009 0.000 2.014 154 Y HA -0.217 4.334 4.550 0.002 0.000 0.270 154 Y C 2.424 178.315 175.900 -0.014 0.000 1.145 154 Y CA 1.376 59.481 58.100 0.008 0.000 1.106 154 Y CB -0.865 37.627 38.460 0.054 0.000 0.968 154 Y HN -0.074 8.206 8.280 -0.000 0.000 0.484 155 I N 0.470 121.050 120.570 0.016 0.000 2.236 155 I HA -0.340 3.830 4.170 0.002 0.000 0.249 155 I C 2.257 178.175 176.117 -0.331 0.000 1.102 155 I CA 2.313 63.509 61.300 -0.175 0.000 1.365 155 I CB -0.960 37.053 38.000 0.022 0.000 1.051 155 I HN 0.449 8.659 8.210 -0.000 0.000 0.420 156 T N 0.464 114.809 114.554 -0.348 0.000 2.684 156 T HA -0.197 4.154 4.350 0.002 0.000 0.267 156 T C 1.923 176.485 174.700 -0.229 0.000 1.036 156 T CA 1.615 63.418 62.100 -0.494 0.000 1.148 156 T CB -0.540 68.034 68.868 -0.490 0.000 0.863 156 T HN 0.533 8.773 8.240 -0.000 0.000 0.436 157 A N 1.281 123.982 122.820 -0.197 0.000 1.898 157 A HA 0.012 4.333 4.320 0.002 0.000 0.216 157 A C 2.249 179.724 177.584 -0.181 0.000 1.181 157 A CA 0.893 52.846 52.037 -0.140 0.000 0.620 157 A CB -0.550 18.378 19.000 -0.118 0.000 0.819 157 A HN 0.395 8.545 8.150 -0.000 0.000 0.442 158 I N 0.154 120.533 120.570 -0.317 0.000 2.179 158 I HA -0.252 3.919 4.170 0.002 0.000 0.242 158 I C 2.444 178.442 176.117 -0.200 0.000 1.088 158 I CA 1.442 62.572 61.300 -0.282 0.000 1.357 158 I CB -1.180 36.590 38.000 -0.384 0.000 1.051 158 I HN 0.310 8.520 8.210 -0.000 0.000 0.409 159 I N 0.669 121.089 120.570 -0.251 0.000 2.163 159 I HA -0.290 3.881 4.170 0.002 0.000 0.243 159 I C 2.505 178.542 176.117 -0.133 0.000 1.085 159 I CA 1.277 62.405 61.300 -0.287 0.000 1.347 159 I CB -0.483 37.253 38.000 -0.439 0.000 1.044 159 I HN 0.240 8.450 8.210 -0.000 0.000 0.408 160 E N 0.791 120.964 120.200 -0.046 0.000 2.187 160 E HA -0.271 4.079 4.350 0.002 0.000 0.199 160 E C 1.969 178.553 176.600 -0.026 0.000 1.004 160 E CA 1.527 57.917 56.400 -0.016 0.000 0.813 160 E CB -0.218 29.490 29.700 0.015 0.000 0.736 160 E HN 0.646 9.006 8.360 -0.000 0.000 0.468 161 E N 0.012 120.185 120.200 -0.045 0.000 2.190 161 E HA -0.026 4.325 4.350 0.002 0.000 0.191 161 E C 0.480 177.075 176.600 -0.009 0.000 0.978 161 E CA 0.427 56.812 56.400 -0.026 0.000 0.839 161 E CB 0.303 29.982 29.700 -0.035 0.000 0.787 161 E HN 0.180 8.540 8.360 -0.000 0.000 0.473 162 Q N 0.562 120.348 119.800 -0.023 0.000 3.230 162 Q HA 0.157 4.497 4.340 0.002 0.000 0.303 162 Q C -2.297 173.717 176.000 0.023 0.000 0.884 162 Q CA -1.285 54.526 55.803 0.013 0.000 0.859 162 Q CB 1.270 30.022 28.738 0.024 0.000 1.432 162 Q HN 0.115 8.385 8.270 -0.000 0.000 0.403 163 P HA -0.095 4.325 4.420 -0.000 0.000 0.236 163 P C 0.285 177.802 177.300 0.360 0.000 1.172 163 P CA 0.830 64.073 63.100 0.240 0.000 0.759 163 P CB 0.266 32.080 31.700 0.190 0.000 0.843 164 K N -0.584 119.922 120.400 0.177 0.000 2.506 164 K HA 0.123 4.444 4.320 0.002 0.000 0.204 164 K C 0.515 177.111 176.600 -0.007 0.000 1.045 164 K CA -0.328 56.032 56.287 0.123 0.000 1.074 164 K CB 0.377 32.974 32.500 0.161 0.000 0.842 164 K HN 0.055 8.305 8.250 -0.000 0.000 0.514 165 N N 0.133 118.823 118.700 -0.017 0.000 2.473 165 N HA 0.063 4.804 4.740 0.002 0.000 0.291 165 N C 0.312 175.790 175.510 -0.054 0.000 1.083 165 N CA 0.016 53.086 53.050 0.033 0.000 0.951 165 N CB 0.792 39.310 38.487 0.052 0.000 1.164 165 N HN -0.055 8.325 8.380 -0.000 0.000 0.480 166 Y N 1.758 122.005 120.300 -0.088 0.000 2.243 166 Y HA -0.070 4.481 4.550 0.002 0.000 0.293 166 Y C 2.138 178.004 175.900 -0.057 0.000 1.124 166 Y CA 1.097 59.157 58.100 -0.067 0.000 1.159 166 Y CB 0.149 38.622 38.460 0.022 0.000 1.008 166 Y HN 0.563 8.843 8.280 -0.000 0.000 0.527 167 Q N -0.060 119.760 119.800 0.033 0.000 2.084 167 Q HA -0.155 4.185 4.340 0.002 0.000 0.202 167 Q C 2.536 178.205 176.000 -0.551 0.000 0.978 167 Q CA 2.024 57.672 55.803 -0.258 0.000 0.844 167 Q CB -1.269 27.161 28.738 -0.512 0.000 0.898 167 Q HN 0.513 8.783 8.270 -0.000 0.000 0.426 168 V N -2.583 116.986 119.914 -0.575 0.000 2.282 168 V HA -0.259 3.862 4.120 0.002 0.000 0.249 168 V C 1.727 177.566 176.094 -0.426 0.000 1.057 168 V CA 1.878 63.784 62.300 -0.657 0.000 1.032 168 V CB -1.210 30.323 31.823 -0.483 0.000 0.645 168 V HN 0.356 8.546 8.190 -0.000 0.000 0.447 169 W N 0.224 121.362 121.300 -0.269 0.000 2.381 169 W HA -0.030 4.630 4.660 0.001 0.000 0.301 169 W C 2.737 179.162 176.519 -0.156 0.000 1.205 169 W CA 1.709 58.925 57.345 -0.215 0.000 1.285 169 W CB -0.659 28.696 29.460 -0.175 0.000 1.133 169 W HN 0.442 8.622 8.180 -0.000 0.000 0.521 170 H N -1.419 117.666 119.070 0.025 0.000 2.353 170 H HA -0.240 4.317 4.556 0.002 0.000 0.300 170 H C 2.084 177.328 175.328 -0.139 0.000 1.090 170 H CA 2.494 58.509 56.048 -0.055 0.000 1.327 170 H CB -0.616 29.125 29.762 -0.035 0.000 1.383 170 H HN 0.193 8.473 8.280 -0.000 0.000 0.508 171 H N 0.198 119.069 119.070 -0.331 0.000 2.319 171 H HA -0.143 4.414 4.556 0.001 0.000 0.297 171 H C 2.651 177.761 175.328 -0.362 0.000 1.097 171 H CA 2.261 58.068 56.048 -0.402 0.000 1.285 171 H CB -0.142 29.309 29.762 -0.518 0.000 1.368 171 H HN 0.321 8.601 8.280 -0.000 0.000 0.495 172 R N 0.234 120.588 120.500 -0.243 0.000 2.083 172 R HA -0.179 4.162 4.340 0.002 0.000 0.237 172 R C 2.580 178.777 176.300 -0.172 0.000 1.137 172 R CA 1.869 57.834 56.100 -0.225 0.000 0.951 172 R CB -0.241 29.899 30.300 -0.267 0.000 0.851 172 R HN 0.365 8.635 8.270 -0.000 0.000 0.434 173 R N 0.002 120.411 120.500 -0.151 0.000 2.127 173 R HA -0.098 4.243 4.340 0.002 0.000 0.238 173 R C 1.893 178.001 176.300 -0.320 0.000 1.134 173 R CA 1.643 57.628 56.100 -0.192 0.000 0.975 173 R CB -0.279 29.692 30.300 -0.549 0.000 0.865 173 R HN 0.159 8.429 8.270 -0.000 0.000 0.447 174 V N 1.337 120.901 119.914 -0.584 0.000 2.261 174 V HA -0.254 3.866 4.120 0.002 0.000 0.246 174 V C 2.436 178.080 176.094 -0.750 0.000 1.047 174 V CA 1.880 63.722 62.300 -0.763 0.000 1.015 174 V CB -0.435 30.758 31.823 -1.051 0.000 0.642 174 V HN 0.343 8.533 8.190 -0.000 0.000 0.446 175 L N -0.411 120.429 121.223 -0.638 0.000 1.956 175 L HA -0.219 4.122 4.340 0.002 0.000 0.216 175 L C 2.534 179.400 176.870 -0.008 0.000 1.073 175 L CA 1.773 56.436 54.840 -0.294 0.000 0.762 175 L CB -1.001 40.948 42.059 -0.183 0.000 0.889 175 L HN 0.206 8.436 8.230 -0.000 0.000 0.433 176 V N -0.033 119.913 119.914 0.054 0.000 2.278 176 V HA -0.353 3.768 4.120 0.002 0.000 0.251 176 V C 2.452 178.729 176.094 0.306 0.000 1.062 176 V CA 2.123 64.546 62.300 0.204 0.000 1.038 176 V CB -0.639 31.398 31.823 0.356 0.000 0.646 176 V HN 0.475 8.665 8.190 -0.000 0.000 0.447 177 E N -1.178 119.215 120.200 0.321 0.000 2.038 177 E HA -0.262 4.088 4.350 0.002 0.000 0.195 177 E C 2.104 178.904 176.600 0.333 0.000 1.000 177 E CA 1.840 58.443 56.400 0.339 0.000 0.803 177 E CB -0.244 29.594 29.700 0.230 0.000 0.750 177 E HN 0.665 9.025 8.360 -0.000 0.000 0.448 178 W N 0.760 122.124 121.300 0.107 0.000 2.318 178 W HA -0.168 4.493 4.660 0.001 0.000 0.313 178 W C 2.102 178.661 176.519 0.068 0.000 1.221 178 W CA 0.973 58.355 57.345 0.062 0.000 1.266 178 W CB -0.887 28.586 29.460 0.022 0.000 1.150 178 W HN 0.127 8.307 8.180 -0.000 0.000 0.496 179 L N -0.218 121.196 121.223 0.319 0.000 2.492 179 L HA -0.004 4.337 4.340 0.002 0.000 0.223 179 L C 0.990 177.969 176.870 0.182 0.000 1.132 179 L CA 0.496 55.456 54.840 0.199 0.000 0.850 179 L CB -0.702 41.445 42.059 0.145 0.000 0.966 179 L HN -0.142 8.088 8.230 -0.000 0.000 0.454 180 K N 0.543 121.093 120.400 0.251 0.000 3.035 180 K HA -0.231 4.090 4.320 0.002 0.000 0.262 180 K C -0.333 176.402 176.600 0.224 0.000 1.024 180 K CA 0.855 57.326 56.287 0.306 0.000 0.748 180 K CB -1.314 31.314 32.500 0.213 0.000 1.247 180 K HN 0.241 8.491 8.250 -0.000 0.000 0.482 181 D N -0.629 119.825 120.400 0.089 0.000 2.389 181 D HA 0.229 4.870 4.640 0.002 0.000 0.256 181 D C -2.102 174.029 176.300 -0.281 0.000 1.239 181 D CA -2.230 51.722 54.000 -0.081 0.000 0.925 181 D CB 1.252 42.040 40.800 -0.021 0.000 1.145 181 D HN -0.105 8.265 8.370 -0.000 0.000 0.542 182 P HA 0.045 4.465 4.420 -0.000 0.000 0.261 182 P C 1.077 178.156 177.300 -0.368 0.000 1.268 182 P CA 0.068 62.730 63.100 -0.729 0.000 0.833 182 P CB 0.202 30.953 31.700 -1.583 0.000 1.231 183 S N 0.137 115.687 115.700 -0.251 0.000 2.440 183 S HA -0.234 4.237 4.470 0.002 0.000 0.240 183 S C 1.733 176.271 174.600 -0.103 0.000 1.014 183 S CA 1.244 59.355 58.200 -0.149 0.000 0.980 183 S CB -0.914 62.226 63.200 -0.100 0.000 0.775 183 S HN 0.268 8.578 8.310 -0.000 0.000 0.499 184 Q N -0.151 119.595 119.800 -0.090 0.000 2.392 184 Q HA 0.162 4.503 4.340 0.002 0.000 0.219 184 Q C 1.841 177.848 176.000 0.012 0.000 0.895 184 Q CA 0.208 55.984 55.803 -0.044 0.000 0.929 184 Q CB 0.055 28.758 28.738 -0.057 0.000 1.077 184 Q HN 0.403 8.673 8.270 -0.000 0.000 0.532 185 E N 1.739 121.949 120.200 0.017 0.000 2.037 185 E HA -0.237 4.114 4.350 0.002 0.000 0.214 185 E C 2.003 178.669 176.600 0.109 0.000 1.041 185 E CA 1.307 57.787 56.400 0.132 0.000 0.872 185 E CB -0.664 29.098 29.700 0.104 0.000 0.785 185 E HN 0.346 8.706 8.360 -0.000 0.000 0.476 186 L N 0.617 121.829 121.223 -0.018 0.000 2.197 186 L HA -0.222 4.119 4.340 0.002 0.000 0.215 186 L C 2.606 179.401 176.870 -0.125 0.000 1.095 186 L CA 1.559 56.335 54.840 -0.108 0.000 0.764 186 L CB -0.520 41.436 42.059 -0.171 0.000 0.897 186 L HN 0.262 8.492 8.230 -0.000 0.000 0.436 187 E N 0.023 120.194 120.200 -0.047 0.000 2.076 187 E HA -0.204 4.147 4.350 0.002 0.000 0.190 187 E C 2.128 178.748 176.600 0.034 0.000 0.979 187 E CA 0.639 57.020 56.400 -0.033 0.000 0.807 187 E CB -0.037 29.660 29.700 -0.006 0.000 0.761 187 E HN 0.337 8.697 8.360 -0.000 0.000 0.454 188 F N 1.780 121.691 119.950 -0.063 0.000 2.051 188 F HA -0.166 4.362 4.527 0.001 0.000 0.296 188 F C 1.891 177.673 175.800 -0.030 0.000 1.122 188 F CA 1.552 59.522 58.000 -0.050 0.000 1.201 188 F CB -0.555 38.413 39.000 -0.054 0.000 0.978 188 F HN -0.009 8.291 8.300 -0.000 0.000 0.472 189 I N 0.811 121.279 120.570 -0.171 0.000 2.087 189 I HA -0.422 3.749 4.170 0.002 0.000 0.240 189 I C 2.767 178.713 176.117 -0.284 0.000 1.054 189 I CA 1.719 62.860 61.300 -0.266 0.000 1.311 189 I CB -1.303 36.640 38.000 -0.095 0.000 1.024 189 I HN 0.297 8.507 8.210 -0.000 0.000 0.402 190 A N 0.469 123.160 122.820 -0.216 0.000 1.940 190 A HA -0.396 3.925 4.320 0.002 0.000 0.221 190 A C 1.950 179.477 177.584 -0.096 0.000 1.190 190 A CA 2.739 54.700 52.037 -0.126 0.000 0.647 190 A CB -1.046 17.859 19.000 -0.158 0.000 0.821 190 A HN 0.589 8.739 8.150 -0.000 0.000 0.457 191 D N -0.499 119.821 120.400 -0.134 0.000 2.092 191 D HA -0.156 4.485 4.640 0.002 0.000 0.193 191 D C 1.797 178.009 176.300 -0.148 0.000 0.994 191 D CA 1.645 55.579 54.000 -0.110 0.000 0.828 191 D CB -0.139 40.609 40.800 -0.086 0.000 0.963 191 D HN 0.344 8.714 8.370 -0.000 0.000 0.450 192 I N 0.502 120.908 120.570 -0.274 0.000 2.179 192 I HA -0.215 3.956 4.170 0.002 0.000 0.242 192 I C 2.433 178.472 176.117 -0.130 0.000 1.088 192 I CA 0.908 62.079 61.300 -0.214 0.000 1.357 192 I CB -1.069 36.773 38.000 -0.264 0.000 1.051 192 I HN 0.233 8.443 8.210 -0.000 0.000 0.409 193 L N 0.590 121.707 121.223 -0.176 0.000 2.353 193 L HA -0.181 4.160 4.340 0.002 0.000 0.220 193 L C 2.255 179.097 176.870 -0.047 0.000 1.133 193 L CA 0.815 55.567 54.840 -0.147 0.000 0.798 193 L CB -0.736 41.157 42.059 -0.277 0.000 0.922 193 L HN 0.436 8.666 8.230 -0.000 0.000 0.445 194 N N 0.173 118.847 118.700 -0.043 0.000 2.409 194 N HA -0.159 4.582 4.740 0.002 0.000 0.179 194 N C 1.590 177.099 175.510 -0.001 0.000 1.032 194 N CA 0.770 53.816 53.050 -0.007 0.000 0.898 194 N CB 0.270 38.755 38.487 -0.003 0.000 0.971 194 N HN 0.504 8.884 8.380 -0.000 0.000 0.441 195 Q N -0.664 119.129 119.800 -0.012 0.000 2.402 195 Q HA 0.050 4.391 4.340 0.002 0.000 0.206 195 Q C -0.658 175.353 176.000 0.019 0.000 0.919 195 Q CA 0.395 56.200 55.803 0.003 0.000 0.923 195 Q CB 0.703 29.438 28.738 -0.004 0.000 1.048 195 Q HN 0.133 8.403 8.270 -0.000 0.000 0.515 196 D N -0.846 119.566 120.400 0.021 0.000 2.634 196 D HA 0.152 4.793 4.640 0.002 0.000 0.236 196 D C -0.294 176.046 176.300 0.067 0.000 1.323 196 D CA -0.160 53.868 54.000 0.048 0.000 0.884 196 D CB 0.341 41.175 40.800 0.057 0.000 1.496 196 D HN 0.034 8.404 8.370 -0.000 0.000 0.525 197 A N 2.806 125.680 122.820 0.089 0.000 2.309 197 A HA -0.115 4.206 4.320 0.002 0.000 0.210 197 A C 1.227 178.999 177.584 0.313 0.000 1.216 197 A CA 1.003 53.138 52.037 0.163 0.000 0.731 197 A CB -0.107 18.976 19.000 0.138 0.000 0.762 197 A HN 0.433 8.583 8.150 -0.000 0.000 0.497 198 K N -0.459 120.087 120.400 0.242 0.000 2.589 198 K HA 0.082 4.403 4.320 0.002 0.000 0.198 198 K C -0.110 176.652 176.600 0.270 0.000 1.114 198 K CA -0.399 56.068 56.287 0.300 0.000 1.070 198 K CB 0.265 32.871 32.500 0.177 0.000 0.860 198 K HN 0.298 8.548 8.250 -0.000 0.000 0.536 199 N N 1.698 120.510 118.700 0.187 0.000 2.412 199 N HA -0.099 4.642 4.740 0.002 0.000 0.279 199 N C 0.663 176.235 175.510 0.104 0.000 1.287 199 N CA 0.433 53.551 53.050 0.114 0.000 0.948 199 N CB 0.185 38.692 38.487 0.034 0.000 1.255 199 N HN 0.204 8.584 8.380 -0.000 0.000 0.485 200 Y N 4.702 124.970 120.300 -0.053 0.000 2.096 200 Y HA -0.341 4.210 4.550 0.001 0.000 0.278 200 Y C 2.124 177.815 175.900 -0.349 0.000 1.192 200 Y CA 2.041 60.035 58.100 -0.177 0.000 1.143 200 Y CB -0.124 38.135 38.460 -0.336 0.000 0.963 200 Y HN 0.700 8.980 8.280 -0.000 0.000 0.505 201 H N -1.221 117.664 119.070 -0.308 0.000 2.352 201 H HA -0.153 4.403 4.556 0.001 0.000 0.299 201 H C 2.353 177.004 175.328 -1.128 0.000 1.097 201 H CA 1.265 56.835 56.048 -0.797 0.000 1.311 201 H CB -0.817 28.198 29.762 -1.245 0.000 1.377 201 H HN 0.494 8.774 8.280 -0.000 0.000 0.504 202 A N 1.064 123.311 122.820 -0.954 0.000 1.865 202 A HA -0.203 4.118 4.320 0.002 0.000 0.217 202 A C 2.386 179.671 177.584 -0.498 0.000 1.191 202 A CA 1.615 53.128 52.037 -0.873 0.000 0.623 202 A CB -1.339 17.364 19.000 -0.494 0.000 0.826 202 A HN 0.461 8.611 8.150 -0.000 0.000 0.444 203 W N -0.373 120.726 121.300 -0.336 0.000 2.335 203 W HA -0.227 4.433 4.660 0.001 0.000 0.311 203 W C 2.735 179.046 176.519 -0.346 0.000 1.213 203 W CA 1.757 58.925 57.345 -0.295 0.000 1.274 203 W CB -0.354 28.904 29.460 -0.335 0.000 1.148 203 W HN 0.557 8.737 8.180 -0.000 0.000 0.498 204 Q N -0.425 119.237 119.800 -0.230 0.000 2.045 204 Q HA -0.344 3.996 4.340 0.002 0.000 0.206 204 Q C 2.108 178.055 176.000 -0.089 0.000 0.991 204 Q CA 2.275 57.939 55.803 -0.233 0.000 0.851 204 Q CB -0.553 28.015 28.738 -0.283 0.000 0.911 204 Q HN 0.402 8.672 8.270 -0.000 0.000 0.418 205 H N -0.020 118.935 119.070 -0.193 0.000 2.352 205 H HA -0.090 4.467 4.556 0.001 0.000 0.299 205 H C 2.137 177.552 175.328 0.146 0.000 1.097 205 H CA 2.139 58.200 56.048 0.021 0.000 1.311 205 H CB 0.058 29.853 29.762 0.056 0.000 1.377 205 H HN 0.147 8.427 8.280 -0.000 0.000 0.504 206 R N 0.073 120.598 120.500 0.041 0.000 2.083 206 R HA -0.159 4.182 4.340 0.002 0.000 0.237 206 R C 2.351 178.634 176.300 -0.028 0.000 1.137 206 R CA 1.956 58.057 56.100 0.002 0.000 0.951 206 R CB -0.072 30.198 30.300 -0.050 0.000 0.851 206 R HN 0.552 8.822 8.270 -0.000 0.000 0.434 207 Q N -1.175 118.582 119.800 -0.073 0.000 2.181 207 Q HA -0.238 4.103 4.340 0.002 0.000 0.205 207 Q C 1.672 177.688 176.000 0.026 0.000 0.980 207 Q CA 1.674 57.369 55.803 -0.179 0.000 0.862 207 Q CB -0.193 28.215 28.738 -0.550 0.000 0.905 207 Q HN 0.480 8.750 8.270 -0.000 0.000 0.429 208 W N 0.487 121.699 121.300 -0.147 0.000 2.407 208 W HA -0.148 4.513 4.660 0.001 0.000 0.305 208 W C 1.804 178.287 176.519 -0.061 0.000 1.196 208 W CA 1.108 58.397 57.345 -0.094 0.000 1.311 208 W CB -0.276 29.100 29.460 -0.139 0.000 1.135 208 W HN -0.193 7.987 8.180 -0.000 0.000 0.514 209 V N 1.539 121.376 119.914 -0.128 0.000 2.332 209 V HA -0.337 3.784 4.120 0.002 0.000 0.248 209 V C 2.237 178.202 176.094 -0.214 0.000 1.055 209 V CA 2.140 64.300 62.300 -0.234 0.000 1.038 209 V CB -0.970 30.783 31.823 -0.117 0.000 0.651 209 V HN 0.234 8.424 8.190 -0.000 0.000 0.450 210 I N -0.617 119.801 120.570 -0.254 0.000 2.252 210 I HA -0.279 3.892 4.170 0.002 0.000 0.245 210 I C 2.651 178.350 176.117 -0.697 0.000 1.102 210 I CA 1.639 62.642 61.300 -0.496 0.000 1.385 210 I CB -0.277 37.377 38.000 -0.577 0.000 1.064 210 I HN 0.362 8.572 8.210 -0.000 0.000 0.414 211 Q N 0.543 120.104 119.800 -0.398 0.000 1.965 211 Q HA -0.201 4.140 4.340 0.002 0.000 0.200 211 Q C 2.260 178.181 176.000 -0.133 0.000 0.981 211 Q CA 1.368 57.114 55.803 -0.096 0.000 0.834 211 Q CB 0.101 28.928 28.738 0.148 0.000 0.900 211 Q HN 0.274 8.544 8.270 -0.000 0.000 0.426 212 E N -0.017 119.976 120.200 -0.346 0.000 2.065 212 E HA -0.199 4.152 4.350 0.002 0.000 0.201 212 E C 1.469 177.719 176.600 -0.584 0.000 1.016 212 E CA 1.355 57.416 56.400 -0.564 0.000 0.818 212 E CB -0.195 28.845 29.700 -1.099 0.000 0.749 212 E HN 0.362 8.722 8.360 -0.000 0.000 0.453 213 F N -0.126 119.624 119.950 -0.332 0.000 2.660 213 F HA 0.239 4.767 4.527 0.002 0.000 0.302 213 F C 0.380 176.092 175.800 -0.146 0.000 1.103 213 F CA -0.318 57.551 58.000 -0.217 0.000 1.340 213 F CB 0.038 38.895 39.000 -0.238 0.000 1.048 213 F HN -0.239 8.061 8.300 -0.000 0.000 0.551 214 R N 1.063 121.559 120.500 -0.006 0.000 3.158 214 R HA -0.190 4.151 4.340 0.002 0.000 0.244 214 R C -0.627 175.692 176.300 0.033 0.000 0.900 214 R CA 0.247 56.411 56.100 0.106 0.000 0.618 214 R CB -2.018 28.415 30.300 0.221 0.000 1.061 214 R HN 0.379 8.649 8.270 -0.000 0.000 0.471 215 L N -0.524 120.552 121.223 -0.245 0.000 3.084 215 L HA 0.159 4.499 4.340 0.002 0.000 0.238 215 L C 0.876 177.649 176.870 -0.163 0.000 1.327 215 L CA -0.372 54.380 54.840 -0.147 0.000 1.094 215 L CB -0.145 41.821 42.059 -0.155 0.000 1.477 215 L HN 0.378 8.608 8.230 -0.000 0.000 0.514 216 W N -0.361 120.944 121.300 0.009 0.000 2.518 216 W HA -0.044 4.617 4.660 0.001 0.000 0.273 216 W C 1.871 178.389 176.519 -0.002 0.000 1.247 216 W CA -0.022 57.324 57.345 0.002 0.000 1.288 216 W CB -0.152 29.286 29.460 -0.036 0.000 1.107 216 W HN 0.300 8.480 8.180 -0.000 0.000 0.586 217 D N 0.651 121.175 120.400 0.207 0.000 2.170 217 D HA -0.231 4.410 4.640 0.002 0.000 0.193 217 D C 0.922 177.272 176.300 0.083 0.000 1.004 217 D CA 1.733 55.802 54.000 0.115 0.000 0.860 217 D CB -0.617 40.226 40.800 0.072 0.000 0.931 217 D HN 0.358 8.728 8.370 -0.000 0.000 0.448 218 N N -0.757 117.984 118.700 0.068 0.000 2.184 218 N HA 0.018 4.759 4.740 0.002 0.000 0.206 218 N C 1.095 176.661 175.510 0.094 0.000 1.151 218 N CA -0.095 52.990 53.050 0.058 0.000 0.878 218 N CB 0.706 39.208 38.487 0.024 0.000 1.014 218 N HN -0.032 8.348 8.380 -0.000 0.000 0.512 219 E N 1.081 121.357 120.200 0.127 0.000 2.110 219 E HA -0.113 4.238 4.350 0.002 0.000 0.193 219 E C 1.584 178.316 176.600 0.219 0.000 0.988 219 E CA 0.807 57.328 56.400 0.202 0.000 0.804 219 E CB -0.123 29.716 29.700 0.233 0.000 0.745 219 E HN 0.228 8.588 8.360 -0.000 0.000 0.458 220 L N 0.624 121.932 121.223 0.142 0.000 2.083 220 L HA -0.169 4.172 4.340 0.002 0.000 0.209 220 L C 1.980 178.872 176.870 0.036 0.000 1.083 220 L CA 1.833 56.712 54.840 0.066 0.000 0.752 220 L CB -0.704 41.360 42.059 0.009 0.000 0.899 220 L HN 0.146 8.376 8.230 -0.000 0.000 0.433 221 Q N -2.010 117.828 119.800 0.062 0.000 2.084 221 Q HA -0.260 4.081 4.340 0.002 0.000 0.202 221 Q C 2.078 178.138 176.000 0.102 0.000 0.978 221 Q CA 2.204 58.036 55.803 0.049 0.000 0.844 221 Q CB -0.552 28.218 28.738 0.055 0.000 0.898 221 Q HN 0.599 8.869 8.270 -0.000 0.000 0.426 222 Y N 0.457 120.762 120.300 0.008 0.000 2.097 222 Y HA -0.255 4.296 4.550 0.001 0.000 0.282 222 Y C 2.056 177.973 175.900 0.029 0.000 1.152 222 Y CA 1.139 59.253 58.100 0.024 0.000 1.136 222 Y CB -0.597 37.893 38.460 0.050 0.000 0.975 222 Y HN -0.104 8.176 8.280 -0.000 0.000 0.498 223 V N 0.797 120.722 119.914 0.018 0.000 2.252 223 V HA -0.374 3.747 4.120 0.002 0.000 0.249 223 V C 2.223 178.188 176.094 -0.216 0.000 1.056 223 V CA 2.383 64.604 62.300 -0.131 0.000 1.022 223 V CB -0.742 31.035 31.823 -0.076 0.000 0.641 223 V HN 0.411 8.601 8.190 -0.000 0.000 0.445 224 D N -0.890 119.407 120.400 -0.172 0.000 2.182 224 D HA -0.230 4.411 4.640 0.002 0.000 0.201 224 D C 2.150 178.366 176.300 -0.140 0.000 0.986 224 D CA 1.637 55.525 54.000 -0.187 0.000 0.847 224 D CB -0.149 40.554 40.800 -0.161 0.000 0.942 224 D HN 0.618 8.988 8.370 -0.000 0.000 0.467 225 Q N 0.288 120.017 119.800 -0.119 0.000 2.020 225 Q HA -0.123 4.218 4.340 0.002 0.000 0.202 225 Q C 2.489 178.404 176.000 -0.142 0.000 0.982 225 Q CA 0.876 56.621 55.803 -0.096 0.000 0.838 225 Q CB -0.094 28.617 28.738 -0.045 0.000 0.899 225 Q HN 0.264 8.534 8.270 -0.000 0.000 0.423 226 L N 0.538 121.612 121.223 -0.248 0.000 2.046 226 L HA -0.205 4.136 4.340 0.002 0.000 0.208 226 L C 2.545 179.326 176.870 -0.149 0.000 1.077 226 L CA 0.879 55.596 54.840 -0.206 0.000 0.747 226 L CB -0.484 41.423 42.059 -0.255 0.000 0.896 226 L HN 0.376 8.606 8.230 -0.000 0.000 0.432 227 L N -0.221 120.880 121.223 -0.203 0.000 2.131 227 L HA -0.231 4.110 4.340 0.002 0.000 0.210 227 L C 2.732 179.548 176.870 -0.090 0.000 1.092 227 L CA 1.156 55.872 54.840 -0.207 0.000 0.759 227 L CB -0.425 41.431 42.059 -0.338 0.000 0.903 227 L HN 0.265 8.495 8.230 -0.000 0.000 0.435 228 K N 0.269 120.627 120.400 -0.071 0.000 2.211 228 K HA -0.163 4.158 4.320 0.002 0.000 0.203 228 K C 1.722 178.313 176.600 -0.015 0.000 1.050 228 K CA 1.179 57.450 56.287 -0.026 0.000 0.945 228 K CB 0.157 32.643 32.500 -0.022 0.000 0.732 228 K HN 0.443 8.693 8.250 -0.000 0.000 0.451 229 E N -0.249 119.934 120.200 -0.027 0.000 2.230 229 E HA -0.087 4.264 4.350 0.002 0.000 0.192 229 E C -0.053 176.552 176.600 0.008 0.000 0.987 229 E CA 0.489 56.884 56.400 -0.008 0.000 0.841 229 E CB 0.340 30.032 29.700 -0.014 0.000 0.783 229 E HN 0.090 8.450 8.360 -0.000 0.000 0.481 230 D N -0.176 120.228 120.400 0.008 0.000 2.668 230 D HA -0.037 4.604 4.640 0.002 0.000 0.234 230 D C 0.177 176.511 176.300 0.056 0.000 1.349 230 D CA -0.117 53.905 54.000 0.037 0.000 0.889 230 D CB 0.733 41.560 40.800 0.044 0.000 1.520 230 D HN -0.114 8.256 8.370 -0.000 0.000 0.521 231 V N 3.664 123.623 119.914 0.075 0.000 2.944 231 V HA -0.139 3.982 4.120 0.002 0.000 0.265 231 V C 1.683 177.966 176.094 0.315 0.000 1.125 231 V CA 1.720 64.115 62.300 0.158 0.000 1.145 231 V CB -0.338 31.573 31.823 0.145 0.000 0.725 231 V HN 0.364 8.554 8.190 -0.000 0.000 0.510 232 R N 0.340 120.955 120.500 0.193 0.000 2.356 232 R HA 0.126 4.467 4.340 0.002 0.000 0.234 232 R C 0.654 177.061 176.300 0.178 0.000 0.929 232 R CA -0.133 56.072 56.100 0.174 0.000 1.084 232 R CB -0.209 30.152 30.300 0.102 0.000 1.105 232 R HN 0.333 8.603 8.270 -0.000 0.000 0.515 233 N N 1.566 120.380 118.700 0.190 0.000 2.605 233 N HA -0.035 4.706 4.740 0.002 0.000 0.258 233 N C 0.442 176.050 175.510 0.164 0.000 1.156 233 N CA 0.092 53.218 53.050 0.126 0.000 1.008 233 N CB 0.346 38.867 38.487 0.056 0.000 1.354 233 N HN 0.020 8.400 8.380 -0.000 0.000 0.509 234 N N 1.215 120.004 118.700 0.150 0.000 2.133 234 N HA -0.183 4.558 4.740 0.002 0.000 0.193 234 N C 1.119 176.625 175.510 -0.006 0.000 1.012 234 N CA 1.630 54.757 53.050 0.127 0.000 0.871 234 N CB 0.189 38.705 38.487 0.047 0.000 1.011 234 N HN 0.369 8.749 8.380 -0.000 0.000 0.435 235 S N -1.002 114.595 115.700 -0.172 0.000 2.368 235 S HA -0.092 4.379 4.470 0.002 0.000 0.225 235 S C 2.060 176.219 174.600 -0.736 0.000 1.030 235 S CA 1.180 59.049 58.200 -0.552 0.000 0.999 235 S CB -0.329 62.369 63.200 -0.837 0.000 0.844 235 S HN 0.197 8.507 8.310 -0.000 0.000 0.459 236 V N 0.028 119.632 119.914 -0.517 0.000 2.343 236 V HA -0.173 3.948 4.120 0.002 0.000 0.247 236 V C 1.934 177.826 176.094 -0.336 0.000 1.051 236 V CA 1.431 63.441 62.300 -0.485 0.000 1.036 236 V CB -0.947 30.667 31.823 -0.349 0.000 0.654 236 V HN 0.545 8.735 8.190 -0.000 0.000 0.451 237 W N 0.632 121.810 121.300 -0.204 0.000 2.338 237 W HA -0.218 4.442 4.660 0.002 0.000 0.304 237 W C 2.606 179.108 176.519 -0.028 0.000 1.212 237 W CA 1.993 59.245 57.345 -0.156 0.000 1.264 237 W CB -0.555 28.835 29.460 -0.117 0.000 1.142 237 W HN 0.305 8.485 8.180 -0.000 0.000 0.512 238 N N 0.195 118.982 118.700 0.144 0.000 2.058 238 N HA -0.273 4.468 4.740 0.002 0.000 0.191 238 N C 1.744 177.334 175.510 0.134 0.000 1.037 238 N CA 2.038 55.160 53.050 0.120 0.000 0.848 238 N CB -0.610 37.842 38.487 -0.059 0.000 1.021 238 N HN 0.045 8.425 8.380 -0.000 0.000 0.422 239 Q N 0.858 120.595 119.800 -0.105 0.000 2.112 239 Q HA -0.182 4.159 4.340 0.002 0.000 0.206 239 Q C 2.114 178.256 176.000 0.237 0.000 0.987 239 Q CA 1.752 57.566 55.803 0.018 0.000 0.858 239 Q CB -0.340 28.265 28.738 -0.222 0.000 0.905 239 Q HN 0.413 8.683 8.270 -0.000 0.000 0.420 240 R N -1.160 119.409 120.500 0.116 0.000 2.091 240 R HA -0.228 4.112 4.340 0.002 0.000 0.238 240 R C 2.330 178.842 176.300 0.353 0.000 1.136 240 R CA 1.722 57.904 56.100 0.138 0.000 0.959 240 R CB -0.465 29.790 30.300 -0.076 0.000 0.856 240 R HN 0.503 8.773 8.270 -0.000 0.000 0.437 241 H N -0.340 118.988 119.070 0.430 0.000 2.395 241 H HA -0.146 4.411 4.556 0.001 0.000 0.299 241 H C 1.719 177.294 175.328 0.413 0.000 1.070 241 H CA 1.697 58.060 56.048 0.525 0.000 1.356 241 H CB -0.248 29.792 29.762 0.463 0.000 1.401 241 H HN 0.254 8.534 8.280 -0.000 0.000 0.524 242 F N 1.198 121.399 119.950 0.418 0.000 2.046 242 F HA -0.228 4.300 4.527 0.001 0.000 0.297 242 F C 2.392 178.393 175.800 0.335 0.000 1.123 242 F CA 1.720 59.932 58.000 0.354 0.000 1.199 242 F CB -0.913 38.251 39.000 0.272 0.000 0.972 242 F HN -0.064 8.236 8.300 -0.000 0.000 0.474 243 V N 1.448 121.534 119.914 0.287 0.000 2.219 243 V HA -0.368 3.753 4.120 0.002 0.000 0.248 243 V C 2.520 178.557 176.094 -0.095 0.000 1.053 243 V CA 2.562 64.954 62.300 0.153 0.000 1.009 243 V CB -0.879 31.100 31.823 0.260 0.000 0.636 243 V HN 0.447 8.637 8.190 -0.000 0.000 0.445 244 I N 1.169 121.680 120.570 -0.097 0.000 2.194 244 I HA -0.272 3.899 4.170 0.002 0.000 0.246 244 I C 2.632 178.498 176.117 -0.418 0.000 1.093 244 I CA 2.056 63.169 61.300 -0.313 0.000 1.355 244 I CB -0.584 37.130 38.000 -0.477 0.000 1.046 244 I HN 0.520 8.730 8.210 -0.000 0.000 0.413 245 S N 0.110 115.640 115.700 -0.284 0.000 2.474 245 S HA -0.123 4.348 4.470 0.002 0.000 0.235 245 S C 1.408 175.872 174.600 -0.226 0.000 0.997 245 S CA 1.436 59.538 58.200 -0.163 0.000 0.949 245 S CB -0.557 62.715 63.200 0.120 0.000 0.766 245 S HN 0.500 8.810 8.310 -0.000 0.000 0.517 246 N N 0.190 118.647 118.700 -0.405 0.000 2.220 246 N HA 0.150 4.890 4.740 0.002 0.000 0.195 246 N C 1.418 176.435 175.510 -0.820 0.000 1.123 246 N CA 0.773 53.437 53.050 -0.643 0.000 0.874 246 N CB 0.747 38.648 38.487 -0.978 0.000 0.995 246 N HN 0.702 9.082 8.380 -0.000 0.000 0.498 247 T N -4.027 110.151 114.554 -0.627 0.000 3.286 247 T HA 0.022 4.372 4.350 0.002 0.000 0.237 247 T C 1.925 176.418 174.700 -0.345 0.000 0.969 247 T CA 1.012 62.794 62.100 -0.529 0.000 1.298 247 T CB -0.542 68.081 68.868 -0.408 0.000 1.053 247 T HN 0.058 8.298 8.240 -0.000 0.000 0.402 248 T N -1.208 113.162 114.554 -0.308 0.000 3.018 248 T HA 0.529 4.880 4.350 0.002 0.000 0.246 248 T C 1.329 175.880 174.700 -0.248 0.000 1.026 248 T CA 0.800 62.752 62.100 -0.247 0.000 1.081 248 T CB -0.438 68.295 68.868 -0.225 0.000 0.970 248 T HN 1.482 9.722 8.240 -0.000 0.000 0.475 249 G N 0.434 109.033 108.800 -0.334 0.000 2.746 249 G HA2 -0.132 3.829 3.960 0.002 0.000 0.685 249 G HA3 -0.132 3.829 3.960 0.002 0.000 0.685 249 G C -0.329 174.350 174.900 -0.370 0.000 1.350 249 G CA -0.269 44.662 45.100 -0.282 0.000 0.837 249 G HN 0.331 8.621 8.290 -0.000 0.000 0.564 250 Y N 0.711 120.959 120.300 -0.087 0.000 2.468 250 Y HA 0.224 4.775 4.550 0.001 0.000 0.268 250 Y C 2.704 178.583 175.900 -0.036 0.000 1.177 250 Y CA 0.919 58.977 58.100 -0.070 0.000 1.265 250 Y CB 0.545 38.954 38.460 -0.084 0.000 1.103 250 Y HN 0.625 8.905 8.280 -0.000 0.000 0.522 251 S N -1.618 114.120 115.700 0.063 0.000 2.453 251 S HA -0.116 4.355 4.470 0.002 0.000 0.231 251 S C 0.709 175.323 174.600 0.023 0.000 1.005 251 S CA 0.328 58.558 58.200 0.050 0.000 0.949 251 S CB -0.099 63.116 63.200 0.024 0.000 0.774 251 S HN 0.292 8.602 8.310 -0.000 0.000 0.510 252 D N 2.245 122.636 120.400 -0.014 0.000 2.346 252 D HA 0.133 4.774 4.640 0.002 0.000 0.267 252 D C 1.098 177.394 176.300 -0.007 0.000 1.320 252 D CA -0.055 53.931 54.000 -0.024 0.000 0.951 252 D CB 0.331 41.096 40.800 -0.059 0.000 1.079 252 D HN 0.214 8.584 8.370 -0.000 0.000 0.509 253 R N 2.749 123.253 120.500 0.006 0.000 2.196 253 R HA -0.315 4.026 4.340 0.002 0.000 0.244 253 R C 2.036 178.336 176.300 -0.000 0.000 1.121 253 R CA 2.326 58.432 56.100 0.010 0.000 0.930 253 R CB -0.619 29.688 30.300 0.011 0.000 0.890 253 R HN 0.515 8.785 8.270 -0.000 0.000 0.435 254 A N 0.643 123.458 122.820 -0.009 0.000 1.892 254 A HA -0.182 4.139 4.320 0.002 0.000 0.218 254 A C 2.490 180.065 177.584 -0.016 0.000 1.188 254 A CA 2.147 54.176 52.037 -0.014 0.000 0.631 254 A CB -0.755 18.233 19.000 -0.021 0.000 0.822 254 A HN 0.188 8.338 8.150 -0.000 0.000 0.447 255 V N -0.389 119.508 119.914 -0.029 0.000 2.261 255 V HA -0.241 3.880 4.120 0.002 0.000 0.246 255 V C 2.427 178.530 176.094 0.014 0.000 1.047 255 V CA 1.869 64.145 62.300 -0.040 0.000 1.015 255 V CB -1.003 30.759 31.823 -0.101 0.000 0.642 255 V HN 0.520 8.710 8.190 -0.000 0.000 0.446 256 L N 0.654 121.900 121.223 0.038 0.000 1.976 256 L HA -0.271 4.070 4.340 0.002 0.000 0.223 256 L C 2.623 179.519 176.870 0.044 0.000 1.081 256 L CA 2.742 57.632 54.840 0.083 0.000 0.784 256 L CB -1.079 41.007 42.059 0.045 0.000 0.896 256 L HN 0.607 8.837 8.230 -0.000 0.000 0.438 257 E N -0.448 119.756 120.200 0.007 0.000 2.070 257 E HA -0.286 4.065 4.350 0.002 0.000 0.197 257 E C 2.421 179.035 176.600 0.024 0.000 1.004 257 E CA 1.922 58.318 56.400 -0.006 0.000 0.805 257 E CB -0.439 29.254 29.700 -0.012 0.000 0.744 257 E HN 0.413 8.773 8.360 -0.000 0.000 0.451 258 R N 0.102 120.619 120.500 0.029 0.000 2.094 258 R HA -0.211 4.130 4.340 0.002 0.000 0.239 258 R C 2.116 178.479 176.300 0.104 0.000 1.137 258 R CA 1.893 58.018 56.100 0.042 0.000 0.943 258 R CB -0.286 30.019 30.300 0.008 0.000 0.850 258 R HN 0.200 8.470 8.270 -0.000 0.000 0.433 259 E N 0.162 120.446 120.200 0.140 0.000 2.023 259 E HA -0.168 4.183 4.350 0.002 0.000 0.196 259 E C 2.122 178.903 176.600 0.301 0.000 1.003 259 E CA 1.591 58.160 56.400 0.280 0.000 0.809 259 E CB -0.471 29.454 29.700 0.376 0.000 0.755 259 E HN 0.247 8.607 8.360 -0.000 0.000 0.449 260 V N 1.221 121.228 119.914 0.155 0.000 2.295 260 V HA -0.271 3.850 4.120 0.002 0.000 0.246 260 V C 2.544 178.667 176.094 0.049 0.000 1.049 260 V CA 1.904 64.247 62.300 0.073 0.000 1.024 260 V CB -0.633 31.164 31.823 -0.043 0.000 0.648 260 V HN 0.189 8.379 8.190 -0.000 0.000 0.447 261 Q N -0.184 119.644 119.800 0.046 0.000 2.047 261 Q HA -0.302 4.039 4.340 0.002 0.000 0.211 261 Q C 2.109 178.144 176.000 0.058 0.000 1.005 261 Q CA 2.686 58.504 55.803 0.025 0.000 0.866 261 Q CB -0.884 27.876 28.738 0.037 0.000 0.938 261 Q HN 0.741 9.011 8.270 -0.000 0.000 0.414 262 Y N 0.259 120.562 120.300 0.005 0.000 2.151 262 Y HA -0.269 4.282 4.550 0.001 0.000 0.284 262 Y C 2.085 178.008 175.900 0.039 0.000 1.166 262 Y CA 2.382 60.492 58.100 0.017 0.000 1.163 262 Y CB -0.645 37.835 38.460 0.033 0.000 0.974 262 Y HN 0.198 8.478 8.280 -0.000 0.000 0.511 263 T N 1.067 115.640 114.554 0.032 0.000 2.821 263 T HA -0.136 4.215 4.350 0.002 0.000 0.267 263 T C 2.044 176.568 174.700 -0.293 0.000 1.046 263 T CA 1.504 63.551 62.100 -0.087 0.000 1.139 263 T CB -0.498 68.457 68.868 0.146 0.000 0.871 263 T HN 0.333 8.573 8.240 -0.000 0.000 0.454 264 L N 0.402 121.473 121.223 -0.253 0.000 2.131 264 L HA -0.092 4.249 4.340 0.002 0.000 0.210 264 L C 2.699 179.373 176.870 -0.327 0.000 1.092 264 L CA 1.133 55.769 54.840 -0.339 0.000 0.759 264 L CB -0.336 41.572 42.059 -0.251 0.000 0.903 264 L HN 0.209 8.438 8.230 -0.000 0.000 0.435 265 E N -0.381 119.660 120.200 -0.265 0.000 2.006 265 E HA -0.211 4.140 4.350 0.002 0.000 0.192 265 E C 2.178 178.613 176.600 -0.275 0.000 0.993 265 E CA 1.311 57.567 56.400 -0.239 0.000 0.808 265 E CB -0.103 29.487 29.700 -0.183 0.000 0.764 265 E HN 0.167 8.527 8.360 -0.000 0.000 0.449 266 M N 0.093 119.483 119.600 -0.350 0.000 2.143 266 M HA -0.187 4.294 4.480 0.002 0.000 0.258 266 M C 2.302 178.452 176.300 -0.251 0.000 1.071 266 M CA 1.461 56.602 55.300 -0.266 0.000 1.088 266 M CB -1.073 31.389 32.600 -0.230 0.000 1.360 266 M HN 0.182 8.472 8.290 -0.000 0.000 0.404 267 I N 0.018 120.356 120.570 -0.386 0.000 2.113 267 I HA -0.272 3.899 4.170 0.002 0.000 0.238 267 I C 1.299 177.246 176.117 -0.283 0.000 1.070 267 I CA 1.223 62.253 61.300 -0.450 0.000 1.332 267 I CB -0.458 37.055 38.000 -0.812 0.000 1.044 267 I HN 0.277 8.487 8.210 -0.000 0.000 0.402 268 K N 1.285 121.461 120.400 -0.373 0.000 3.277 268 K HA 0.060 4.381 4.320 0.002 0.000 0.291 268 K C 0.812 177.276 176.600 -0.227 0.000 0.994 268 K CA 0.174 56.151 56.287 -0.516 0.000 1.147 268 K CB 0.156 32.304 32.500 -0.588 0.000 1.185 268 K HN 0.395 8.645 8.250 -0.000 0.000 0.422 269 L N -1.153 120.020 121.223 -0.082 0.000 2.824 269 L HA 0.097 4.438 4.340 0.002 0.000 0.284 269 L C -0.640 176.266 176.870 0.060 0.000 1.031 269 L CA 0.364 55.204 54.840 0.000 0.000 1.226 269 L CB 1.458 43.487 42.059 -0.049 0.000 2.283 269 L HN -0.125 8.105 8.230 -0.000 0.000 0.569 270 V N 2.231 122.175 119.914 0.050 0.000 2.666 270 V HA 0.226 4.347 4.120 0.002 0.000 0.269 270 V C -1.699 174.473 176.094 0.131 0.000 0.926 270 V CA -0.533 61.829 62.300 0.103 0.000 1.035 270 V CB 0.843 32.711 31.823 0.076 0.000 1.099 270 V HN 0.055 8.245 8.190 -0.000 0.000 0.519 271 P HA -0.172 4.248 4.420 -0.000 0.000 0.219 271 P C 0.736 178.133 177.300 0.162 0.000 1.144 271 P CA 1.547 64.779 63.100 0.220 0.000 0.806 271 P CB 0.192 32.031 31.700 0.232 0.000 0.771 272 H N -2.240 117.007 119.070 0.296 0.000 2.520 272 H HA 0.169 4.726 4.556 0.001 0.000 0.284 272 H C 0.473 175.927 175.328 0.210 0.000 1.037 272 H CA -0.368 55.895 56.048 0.359 0.000 1.168 272 H CB -0.453 29.469 29.762 0.267 0.000 1.497 272 H HN 0.023 8.303 8.280 -0.000 0.000 0.547 273 N N 1.236 120.032 118.700 0.160 0.000 2.414 273 N HA -0.046 4.695 4.740 0.002 0.000 0.256 273 N C 1.075 176.506 175.510 -0.132 0.000 1.029 273 N CA 0.044 53.108 53.050 0.024 0.000 0.948 273 N CB 0.964 39.461 38.487 0.017 0.000 1.102 273 N HN 0.375 8.755 8.380 -0.000 0.000 0.496 274 E N 2.392 122.409 120.200 -0.305 0.000 2.150 274 E HA -0.134 4.217 4.350 0.002 0.000 0.193 274 E C 0.885 177.317 176.600 -0.280 0.000 0.985 274 E CA 0.776 56.881 56.400 -0.491 0.000 0.814 274 E CB 0.202 29.645 29.700 -0.427 0.000 0.752 274 E HN 0.661 9.021 8.360 -0.000 0.000 0.466 275 S N 0.814 116.331 115.700 -0.306 0.000 2.365 275 S HA -0.270 4.201 4.470 0.002 0.000 0.221 275 S C 2.117 176.248 174.600 -0.782 0.000 1.037 275 S CA 1.359 59.265 58.200 -0.490 0.000 1.060 275 S CB -0.582 62.265 63.200 -0.589 0.000 0.974 275 S HN 0.533 8.843 8.310 -0.000 0.000 0.427 276 A N 0.580 122.779 122.820 -1.036 0.000 1.915 276 A HA -0.228 4.093 4.320 0.002 0.000 0.220 276 A C 1.898 179.138 177.584 -0.574 0.000 1.198 276 A CA 2.000 53.359 52.037 -1.130 0.000 0.647 276 A CB -1.300 17.238 19.000 -0.770 0.000 0.825 276 A HN 0.703 8.853 8.150 -0.000 0.000 0.456 277 W N 0.169 121.233 121.300 -0.392 0.000 2.355 277 W HA -0.155 4.506 4.660 0.002 0.000 0.309 277 W C 2.217 178.691 176.519 -0.075 0.000 1.206 277 W CA 1.205 58.440 57.345 -0.183 0.000 1.284 277 W CB -0.342 28.995 29.460 -0.206 0.000 1.145 277 W HN 0.370 8.550 8.180 -0.000 0.000 0.502 278 N N -0.873 117.882 118.700 0.091 0.000 2.223 278 N HA -0.228 4.513 4.740 0.002 0.000 0.185 278 N C 1.263 176.808 175.510 0.059 0.000 1.016 278 N CA 1.487 54.574 53.050 0.060 0.000 0.863 278 N CB -1.167 37.312 38.487 -0.013 0.000 0.983 278 N HN 0.244 8.624 8.380 -0.000 0.000 0.429 279 Y N 1.491 121.697 120.300 -0.156 0.000 2.092 279 Y HA -0.137 4.414 4.550 0.002 0.000 0.282 279 Y C 2.340 178.238 175.900 -0.004 0.000 1.126 279 Y CA 1.144 59.203 58.100 -0.068 0.000 1.111 279 Y CB -0.796 37.573 38.460 -0.153 0.000 0.987 279 Y HN -0.004 8.276 8.280 -0.000 0.000 0.489 280 L N 1.324 122.588 121.223 0.068 0.000 2.034 280 L HA -0.307 4.033 4.340 0.002 0.000 0.217 280 L C 2.448 179.394 176.870 0.126 0.000 1.077 280 L CA 2.793 57.649 54.840 0.026 0.000 0.769 280 L CB -0.898 41.120 42.059 -0.069 0.000 0.890 280 L HN 0.362 8.592 8.230 -0.000 0.000 0.435 281 K N -0.872 119.703 120.400 0.292 0.000 2.063 281 K HA -0.124 4.197 4.320 0.002 0.000 0.208 281 K C 2.007 178.610 176.600 0.004 0.000 1.048 281 K CA 1.552 57.955 56.287 0.194 0.000 0.928 281 K CB -0.781 31.772 32.500 0.089 0.000 0.713 281 K HN 0.494 8.744 8.250 -0.000 0.000 0.442 282 G N 2.076 110.839 108.800 -0.061 0.000 2.459 282 G HA2 -0.274 3.687 3.960 0.002 0.000 0.217 282 G HA3 -0.274 3.687 3.960 0.002 0.000 0.217 282 G C 1.531 176.311 174.900 -0.199 0.000 1.183 282 G CA 1.306 46.330 45.100 -0.127 0.000 0.776 282 G HN 0.558 8.848 8.290 -0.000 0.000 0.552 283 I N -1.851 118.481 120.570 -0.397 0.000 2.614 283 I HA 0.104 4.275 4.170 0.002 0.000 0.258 283 I C 2.334 178.319 176.117 -0.221 0.000 1.189 283 I CA 0.841 61.818 61.300 -0.540 0.000 1.462 283 I CB -0.165 37.326 38.000 -0.849 0.000 1.092 283 I HN 0.132 8.342 8.210 -0.000 0.000 0.442 284 L N 1.117 122.298 121.223 -0.070 0.000 2.130 284 L HA -0.082 4.259 4.340 0.002 0.000 0.200 284 L C 2.866 179.853 176.870 0.196 0.000 1.075 284 L CA 1.147 56.066 54.840 0.131 0.000 0.768 284 L CB -0.536 41.644 42.059 0.202 0.000 0.933 284 L HN 0.363 8.593 8.230 -0.000 0.000 0.451 285 Q N -0.319 119.526 119.800 0.075 0.000 2.515 285 Q HA -0.228 4.113 4.340 0.002 0.000 0.215 285 Q C 0.032 176.043 176.000 0.018 0.000 0.983 285 Q CA 1.288 57.106 55.803 0.025 0.000 0.905 285 Q CB -0.396 28.320 28.738 -0.035 0.000 0.961 285 Q HN 0.255 8.525 8.270 -0.000 0.000 0.503 286 D N 0.217 120.635 120.400 0.031 0.000 2.973 286 D HA 0.183 4.824 4.640 0.002 0.000 0.263 286 D C -0.044 176.283 176.300 0.045 0.000 1.266 286 D CA -0.235 53.781 54.000 0.025 0.000 0.975 286 D CB 0.185 40.997 40.800 0.021 0.000 1.032 286 D HN 0.134 8.504 8.370 -0.000 0.000 0.510 287 R N 1.083 121.596 120.500 0.022 0.000 2.421 287 R HA 0.052 4.393 4.340 0.002 0.000 0.036 287 R C -0.242 175.984 176.300 -0.123 0.000 0.531 287 R CA 0.690 56.789 56.100 -0.001 0.000 1.148 287 R CB -0.777 29.585 30.300 0.103 0.000 0.845 287 R HN 0.376 8.646 8.270 -0.000 0.000 0.571 288 G N 2.647 111.383 108.800 -0.107 0.000 3.436 288 G HA2 -0.178 3.783 3.960 0.002 0.000 0.685 288 G HA3 -0.178 3.783 3.960 0.002 0.000 0.685 288 G C 0.336 175.041 174.900 -0.325 0.000 1.039 288 G CA -0.129 44.860 45.100 -0.185 0.000 0.879 288 G HN 0.007 8.297 8.290 -0.000 0.000 0.478 289 L N 2.716 123.897 121.223 -0.070 0.000 2.042 289 L HA -0.084 4.257 4.340 0.002 0.000 0.210 289 L C 3.204 180.074 176.870 0.001 0.000 1.076 289 L CA 3.039 57.948 54.840 0.115 0.000 0.749 289 L CB -1.165 40.967 42.059 0.121 0.000 0.893 289 L HN 1.289 9.519 8.230 -0.000 0.000 0.432 290 S N -1.207 114.456 115.700 -0.062 0.000 2.537 290 S HA -0.180 4.291 4.470 0.002 0.000 0.240 290 S C 1.955 176.476 174.600 -0.132 0.000 0.981 290 S CA 0.658 58.834 58.200 -0.042 0.000 0.948 290 S CB -0.497 62.687 63.200 -0.027 0.000 0.759 290 S HN 0.431 8.741 8.310 -0.000 0.000 0.531 291 R N -0.243 120.015 120.500 -0.403 0.000 2.275 291 R HA 0.167 4.508 4.340 0.002 0.000 0.199 291 R C -0.234 175.946 176.300 -0.199 0.000 0.989 291 R CA 0.391 56.245 56.100 -0.411 0.000 1.016 291 R CB -0.034 29.891 30.300 -0.625 0.000 0.918 291 R HN 0.611 8.881 8.270 -0.000 0.000 0.473 292 Y N 1.294 121.624 120.300 0.049 0.000 2.907 292 Y HA 0.178 4.729 4.550 0.002 0.000 0.332 292 Y C -1.425 174.508 175.900 0.055 0.000 1.211 292 Y CA -2.639 55.492 58.100 0.052 0.000 1.387 292 Y CB 0.517 39.017 38.460 0.066 0.000 1.396 292 Y HN 0.010 8.290 8.280 -0.000 0.000 0.519 293 P HA -0.244 4.176 4.420 -0.000 0.000 0.213 293 P C 0.394 177.758 177.300 0.108 0.000 1.176 293 P CA 1.811 64.984 63.100 0.122 0.000 0.919 293 P CB 0.373 32.129 31.700 0.093 0.000 0.791 294 N N -0.257 118.497 118.700 0.090 0.000 2.364 294 N HA -0.110 4.631 4.740 0.002 0.000 0.183 294 N C 1.758 177.299 175.510 0.051 0.000 1.022 294 N CA 0.347 53.432 53.050 0.058 0.000 0.883 294 N CB -1.344 37.164 38.487 0.034 0.000 0.965 294 N HN 0.064 8.444 8.380 -0.000 0.000 0.438 295 L N 0.758 122.029 121.223 0.081 0.000 1.957 295 L HA -0.200 4.141 4.340 0.002 0.000 0.228 295 L C 2.073 178.974 176.870 0.052 0.000 1.086 295 L CA 1.485 56.367 54.840 0.069 0.000 0.796 295 L CB -1.174 40.993 42.059 0.180 0.000 0.900 295 L HN 0.205 8.435 8.230 -0.000 0.000 0.439 296 L N 0.143 121.420 121.223 0.091 0.000 2.030 296 L HA -0.335 4.006 4.340 0.002 0.000 0.222 296 L C 2.312 179.211 176.870 0.049 0.000 1.082 296 L CA 2.171 57.052 54.840 0.068 0.000 0.785 296 L CB -1.236 40.881 42.059 0.096 0.000 0.895 296 L HN 0.498 8.728 8.230 -0.000 0.000 0.439 297 N N -0.342 118.389 118.700 0.052 0.000 2.006 297 N HA -0.207 4.533 4.740 0.002 0.000 0.196 297 N C 1.692 177.215 175.510 0.021 0.000 1.057 297 N CA 1.921 54.995 53.050 0.041 0.000 0.853 297 N CB -0.675 37.835 38.487 0.039 0.000 1.051 297 N HN 0.545 8.925 8.380 -0.000 0.000 0.423 298 Q N 0.868 120.669 119.800 0.002 0.000 2.133 298 Q HA -0.145 4.196 4.340 0.002 0.000 0.208 298 Q C 2.343 178.328 176.000 -0.024 0.000 0.991 298 Q CA 1.024 56.814 55.803 -0.022 0.000 0.867 298 Q CB -0.711 27.994 28.738 -0.055 0.000 0.911 298 Q HN 0.435 8.705 8.270 -0.000 0.000 0.417 299 L N 0.097 121.302 121.223 -0.031 0.000 1.989 299 L HA -0.207 4.134 4.340 0.002 0.000 0.211 299 L C 2.421 179.310 176.870 0.033 0.000 1.071 299 L CA 0.913 55.746 54.840 -0.011 0.000 0.749 299 L CB -0.627 41.419 42.059 -0.022 0.000 0.890 299 L HN 0.236 8.466 8.230 -0.000 0.000 0.431 300 L N 0.144 121.386 121.223 0.033 0.000 2.189 300 L HA -0.261 4.080 4.340 0.002 0.000 0.214 300 L C 2.108 179.006 176.870 0.047 0.000 1.097 300 L CA 1.688 56.555 54.840 0.045 0.000 0.764 300 L CB -1.056 41.035 42.059 0.053 0.000 0.900 300 L HN 0.288 8.518 8.230 -0.000 0.000 0.436 301 D N -1.123 119.302 120.400 0.042 0.000 2.183 301 D HA -0.096 4.545 4.640 0.002 0.000 0.203 301 D C 2.162 178.510 176.300 0.080 0.000 0.969 301 D CA 0.782 54.812 54.000 0.050 0.000 0.842 301 D CB -0.019 40.804 40.800 0.037 0.000 0.957 301 D HN 0.319 8.689 8.370 -0.000 0.000 0.484 302 L N 0.730 122.012 121.223 0.098 0.000 2.610 302 L HA -0.031 4.310 4.340 0.002 0.000 0.232 302 L C 2.198 179.147 176.870 0.132 0.000 1.149 302 L CA 0.151 55.096 54.840 0.175 0.000 0.872 302 L CB -0.236 41.932 42.059 0.183 0.000 0.992 302 L HN -0.081 8.149 8.230 -0.000 0.000 0.447 303 Q N 1.042 120.890 119.800 0.080 0.000 2.082 303 Q HA -0.196 4.145 4.340 0.002 0.000 0.211 303 Q C -0.276 175.745 176.000 0.034 0.000 1.002 303 Q CA 2.177 58.010 55.803 0.049 0.000 0.868 303 Q CB -1.153 27.605 28.738 0.034 0.000 0.931 303 Q HN 0.468 8.738 8.270 -0.000 0.000 0.414 304 P HA 0.165 4.585 4.420 -0.000 0.000 0.252 304 P C 0.885 178.167 177.300 -0.030 0.000 1.211 304 P CA 0.631 63.732 63.100 0.003 0.000 0.824 304 P CB 0.457 32.158 31.700 0.002 0.000 1.077 305 S N -1.248 114.431 115.700 -0.035 0.000 2.470 305 S HA 0.073 4.544 4.470 0.002 0.000 0.222 305 S C 0.704 174.976 174.600 -0.548 0.000 1.024 305 S CA 0.416 58.489 58.200 -0.212 0.000 0.931 305 S CB -0.357 62.779 63.200 -0.106 0.000 0.791 305 S HN 0.310 8.620 8.310 -0.000 0.000 0.513 306 H N -0.050 119.051 119.070 0.053 0.000 3.237 306 H HA 0.293 4.849 4.556 0.001 0.000 0.224 306 H C -0.612 174.754 175.328 0.064 0.000 1.370 306 H CA -0.242 55.847 56.048 0.069 0.000 1.112 306 H CB 0.118 29.920 29.762 0.066 0.000 2.482 306 H HN 0.113 8.393 8.280 -0.000 0.000 0.561 307 S N 1.813 117.572 115.700 0.098 0.000 2.584 307 S HA 0.515 4.986 4.470 0.002 0.000 0.273 307 S C 0.361 174.940 174.600 -0.036 0.000 1.311 307 S CA -0.029 58.195 58.200 0.040 0.000 1.034 307 S CB 0.729 63.943 63.200 0.023 0.000 0.939 307 S HN 0.641 8.951 8.310 -0.000 0.000 0.513 308 S N 2.957 118.573 115.700 -0.141 0.000 2.615 308 S HA 0.490 4.961 4.470 0.002 0.000 0.268 308 S C -2.796 171.590 174.600 -0.356 0.000 1.146 308 S CA -0.988 57.057 58.200 -0.258 0.000 0.818 308 S CB 1.108 63.931 63.200 -0.627 0.000 1.111 308 S HN 0.430 8.740 8.310 -0.000 0.000 0.465 309 P HA -0.021 4.399 4.420 -0.000 0.000 0.228 309 P C 0.784 177.800 177.300 -0.474 0.000 1.151 309 P CA 1.090 63.920 63.100 -0.450 0.000 0.770 309 P CB -0.424 31.026 31.700 -0.415 0.000 0.786 310 Y N -0.665 119.376 120.300 -0.431 0.000 2.220 310 Y HA -0.104 4.447 4.550 0.001 0.000 0.291 310 Y C 2.507 177.833 175.900 -0.957 0.000 1.129 310 Y CA -0.071 57.563 58.100 -0.776 0.000 1.161 310 Y CB -1.148 36.509 38.460 -1.339 0.000 0.997 310 Y HN -0.132 8.148 8.280 -0.000 0.000 0.522 311 L N 0.693 121.502 121.223 -0.691 0.000 2.012 311 L HA -0.216 4.124 4.340 0.002 0.000 0.210 311 L C 2.059 178.817 176.870 -0.186 0.000 1.073 311 L CA 1.673 56.275 54.840 -0.396 0.000 0.748 311 L CB -0.758 41.236 42.059 -0.109 0.000 0.891 311 L HN 0.223 8.453 8.230 -0.000 0.000 0.431 312 I N -0.769 119.680 120.570 -0.202 0.000 2.179 312 I HA -0.302 3.869 4.170 0.002 0.000 0.242 312 I C 2.590 178.613 176.117 -0.156 0.000 1.088 312 I CA 1.207 62.402 61.300 -0.175 0.000 1.357 312 I CB -0.831 37.027 38.000 -0.237 0.000 1.051 312 I HN 0.328 8.538 8.210 -0.000 0.000 0.409 313 A N 0.776 123.520 122.820 -0.127 0.000 1.877 313 A HA -0.254 4.067 4.320 0.002 0.000 0.216 313 A C 2.291 179.931 177.584 0.094 0.000 1.186 313 A CA 1.501 53.577 52.037 0.064 0.000 0.620 313 A CB -1.108 18.067 19.000 0.293 0.000 0.822 313 A HN 0.411 8.561 8.150 -0.000 0.000 0.443 314 F N 0.544 120.453 119.950 -0.069 0.000 2.095 314 F HA -0.214 4.314 4.527 0.002 0.000 0.298 314 F C 2.083 177.848 175.800 -0.059 0.000 1.104 314 F CA 1.920 59.923 58.000 0.005 0.000 1.232 314 F CB -0.178 38.881 39.000 0.098 0.000 0.987 314 F HN 0.152 8.452 8.300 -0.000 0.000 0.475 315 L N -0.767 120.521 121.223 0.110 0.000 2.012 315 L HA -0.274 4.067 4.340 0.002 0.000 0.210 315 L C 2.297 178.937 176.870 -0.384 0.000 1.073 315 L CA 1.158 55.863 54.840 -0.225 0.000 0.748 315 L CB -1.089 40.798 42.059 -0.287 0.000 0.891 315 L HN 0.015 8.245 8.230 -0.000 0.000 0.431 316 V N -0.251 119.588 119.914 -0.125 0.000 2.392 316 V HA -0.289 3.832 4.120 0.002 0.000 0.249 316 V C 2.139 178.259 176.094 0.045 0.000 1.059 316 V CA 1.853 64.174 62.300 0.034 0.000 1.051 316 V CB -0.576 31.285 31.823 0.064 0.000 0.658 316 V HN 0.445 8.635 8.190 -0.000 0.000 0.455 317 D N 0.048 120.436 120.400 -0.021 0.000 2.097 317 D HA -0.090 4.551 4.640 0.002 0.000 0.197 317 D C 2.152 178.409 176.300 -0.072 0.000 0.984 317 D CA 1.269 55.228 54.000 -0.069 0.000 0.826 317 D CB -0.164 40.495 40.800 -0.235 0.000 0.973 317 D HN 0.369 8.739 8.370 -0.000 0.000 0.460 318 I N 0.422 120.931 120.570 -0.101 0.000 2.069 318 I HA -0.350 3.821 4.170 0.002 0.000 0.237 318 I C 2.393 178.546 176.117 0.060 0.000 1.053 318 I CA 1.342 62.629 61.300 -0.022 0.000 1.311 318 I CB -0.681 37.303 38.000 -0.027 0.000 1.030 318 I HN 0.094 8.304 8.210 -0.000 0.000 0.398 319 Y N 1.043 121.373 120.300 0.050 0.000 2.096 319 Y HA -0.363 4.188 4.550 0.002 0.000 0.278 319 Y C 2.708 178.615 175.900 0.011 0.000 1.192 319 Y CA 1.367 59.484 58.100 0.028 0.000 1.143 319 Y CB -0.462 38.010 38.460 0.020 0.000 0.963 319 Y HN 0.285 8.565 8.280 -0.000 0.000 0.505 320 E N -0.084 120.214 120.200 0.163 0.000 2.070 320 E HA -0.275 4.076 4.350 0.002 0.000 0.197 320 E C 1.705 178.337 176.600 0.054 0.000 1.004 320 E CA 1.677 58.128 56.400 0.084 0.000 0.805 320 E CB -0.208 29.525 29.700 0.055 0.000 0.744 320 E HN 0.387 8.747 8.360 -0.000 0.000 0.451 321 D N -0.037 120.388 120.400 0.043 0.000 2.144 321 D HA -0.078 4.563 4.640 0.002 0.000 0.200 321 D C 1.769 178.084 176.300 0.027 0.000 0.978 321 D CA 0.876 54.886 54.000 0.017 0.000 0.833 321 D CB 0.075 40.873 40.800 -0.004 0.000 0.961 321 D HN 0.080 8.450 8.370 -0.000 0.000 0.470 322 M N -0.524 119.115 119.600 0.065 0.000 2.460 322 M HA -0.104 4.377 4.480 0.002 0.000 0.263 322 M C 1.033 177.360 176.300 0.045 0.000 1.071 322 M CA 0.477 55.819 55.300 0.070 0.000 1.096 322 M CB 0.195 32.879 32.600 0.140 0.000 1.408 322 M HN 0.135 8.425 8.290 -0.000 0.000 0.463 323 L N -0.367 120.881 121.223 0.041 0.000 2.269 323 L HA 0.032 4.373 4.340 0.002 0.000 0.200 323 L C 2.039 178.913 176.870 0.006 0.000 1.069 323 L CA 1.500 56.350 54.840 0.017 0.000 0.804 323 L CB -0.769 41.300 42.059 0.016 0.000 0.987 323 L HN 0.180 8.410 8.230 -0.000 0.000 0.468 324 E N -0.060 120.144 120.200 0.007 0.000 2.097 324 E HA -0.227 4.124 4.350 0.002 0.000 0.196 324 E C 1.332 177.928 176.600 -0.006 0.000 1.000 324 E CA 1.597 57.996 56.400 -0.002 0.000 0.804 324 E CB -0.211 29.486 29.700 -0.004 0.000 0.740 324 E HN 0.587 8.947 8.360 -0.000 0.000 0.454 325 N N 0.372 119.068 118.700 -0.005 0.000 2.398 325 N HA -0.026 4.715 4.740 0.002 0.000 0.188 325 N C -0.753 174.753 175.510 -0.006 0.000 1.122 325 N CA -0.263 52.781 53.050 -0.010 0.000 0.866 325 N CB 0.350 38.827 38.487 -0.017 0.000 0.970 325 N HN -0.058 8.322 8.380 -0.000 0.000 0.462 326 Q N -0.037 119.762 119.800 -0.002 0.000 3.120 326 Q HA -0.161 4.179 4.340 0.002 0.000 0.056 326 Q C -1.448 174.552 176.000 -0.000 0.000 1.648 326 Q CA 0.378 56.179 55.803 -0.003 0.000 0.302 326 Q CB -1.125 27.609 28.738 -0.006 0.000 0.588 326 Q HN 0.426 8.696 8.270 -0.000 0.000 0.322 327 C N 3.227 122.526 119.300 -0.000 0.000 3.082 327 C HA 0.576 5.037 4.460 0.002 0.000 0.324 327 C C -0.530 174.458 174.990 -0.004 0.000 1.210 327 C CA -0.769 58.251 59.018 0.003 0.000 1.366 327 C CB 1.733 29.482 27.740 0.015 0.000 1.756 327 C HN 0.874 9.104 8.230 -0.000 0.000 0.485 328 D N 2.753 123.151 120.400 -0.002 0.000 2.478 328 D HA 0.094 4.735 4.640 0.002 0.000 0.234 328 D C 0.873 177.165 176.300 -0.013 0.000 1.154 328 D CA 1.573 55.569 54.000 -0.007 0.000 0.874 328 D CB 0.431 41.230 40.800 -0.002 0.000 1.198 328 D HN 0.762 9.132 8.370 -0.000 0.000 0.455 329 N N 1.136 119.824 118.700 -0.020 0.000 2.909 329 N HA -0.297 4.444 4.740 0.002 0.000 0.242 329 N C 1.229 176.710 175.510 -0.049 0.000 0.975 329 N CA 1.116 54.147 53.050 -0.032 0.000 0.921 329 N CB -1.053 37.417 38.487 -0.029 0.000 1.112 329 N HN 0.661 9.041 8.380 -0.000 0.000 0.581 330 K N 1.315 121.691 120.400 -0.040 0.000 2.052 330 K HA -0.268 4.053 4.320 0.002 0.000 0.215 330 K C 1.661 178.220 176.600 -0.069 0.000 1.053 330 K CA 2.126 58.383 56.287 -0.050 0.000 0.934 330 K CB -0.294 32.186 32.500 -0.033 0.000 0.717 330 K HN 0.115 8.365 8.250 -0.000 0.000 0.450 331 E N 1.386 121.552 120.200 -0.056 0.000 2.055 331 E HA -0.280 4.071 4.350 0.002 0.000 0.209 331 E C 1.819 178.370 176.600 -0.081 0.000 1.036 331 E CA 2.286 58.651 56.400 -0.059 0.000 0.849 331 E CB -0.924 28.748 29.700 -0.046 0.000 0.767 331 E HN 0.551 8.911 8.360 -0.000 0.000 0.461 332 D N -0.638 119.712 120.400 -0.083 0.000 2.104 332 D HA -0.149 4.492 4.640 0.002 0.000 0.194 332 D C 2.172 178.370 176.300 -0.170 0.000 0.994 332 D CA 1.748 55.686 54.000 -0.103 0.000 0.830 332 D CB -0.337 40.411 40.800 -0.087 0.000 0.959 332 D HN 0.329 8.699 8.370 -0.000 0.000 0.452 333 I N -0.167 120.284 120.570 -0.200 0.000 2.118 333 I HA -0.281 3.890 4.170 0.002 0.000 0.241 333 I C 2.384 178.295 176.117 -0.343 0.000 1.070 333 I CA 0.777 61.865 61.300 -0.354 0.000 1.327 333 I CB -0.355 37.498 38.000 -0.244 0.000 1.034 333 I HN 0.189 8.399 8.210 -0.000 0.000 0.405 334 L N 1.272 122.383 121.223 -0.187 0.000 2.042 334 L HA -0.252 4.089 4.340 0.002 0.000 0.210 334 L C 2.170 178.962 176.870 -0.130 0.000 1.076 334 L CA 1.958 56.719 54.840 -0.131 0.000 0.749 334 L CB -0.981 41.028 42.059 -0.084 0.000 0.893 334 L HN 0.261 8.491 8.230 -0.000 0.000 0.432 335 N N 0.007 118.630 118.700 -0.129 0.000 2.058 335 N HA -0.218 4.523 4.740 0.002 0.000 0.191 335 N C 1.843 177.282 175.510 -0.119 0.000 1.037 335 N CA 1.438 54.426 53.050 -0.103 0.000 0.848 335 N CB -0.503 37.932 38.487 -0.087 0.000 1.021 335 N HN 0.242 8.622 8.380 -0.000 0.000 0.422 336 K N 1.653 121.944 120.400 -0.181 0.000 2.059 336 K HA -0.056 4.265 4.320 0.002 0.000 0.212 336 K C 1.808 178.341 176.600 -0.111 0.000 1.050 336 K CA 1.697 57.879 56.287 -0.176 0.000 0.927 336 K CB -0.884 31.421 32.500 -0.325 0.000 0.714 336 K HN 0.149 8.399 8.250 -0.000 0.000 0.447 337 A N 0.643 123.355 122.820 -0.180 0.000 1.865 337 A HA -0.119 4.202 4.320 0.002 0.000 0.217 337 A C 2.379 179.966 177.584 0.004 0.000 1.191 337 A CA 1.881 53.938 52.037 0.032 0.000 0.623 337 A CB -0.838 18.183 19.000 0.034 0.000 0.826 337 A HN 0.342 8.492 8.150 -0.000 0.000 0.444 338 L N -0.462 120.738 121.223 -0.039 0.000 2.127 338 L HA -0.215 4.126 4.340 0.002 0.000 0.211 338 L C 2.698 179.542 176.870 -0.044 0.000 1.089 338 L CA 1.739 56.556 54.840 -0.038 0.000 0.757 338 L CB -0.492 41.539 42.059 -0.045 0.000 0.899 338 L HN 0.623 8.853 8.230 -0.000 0.000 0.434 339 E N 0.832 121.004 120.200 -0.047 0.000 2.106 339 E HA -0.201 4.150 4.350 0.002 0.000 0.192 339 E C 2.279 178.838 176.600 -0.069 0.000 0.984 339 E CA 1.028 57.398 56.400 -0.050 0.000 0.806 339 E CB 0.016 29.690 29.700 -0.043 0.000 0.750 339 E HN 0.532 8.892 8.360 -0.000 0.000 0.458 340 L N 0.379 121.562 121.223 -0.065 0.000 2.056 340 L HA -0.208 4.133 4.340 0.002 0.000 0.207 340 L C 2.928 179.655 176.870 -0.238 0.000 1.078 340 L CA 1.017 55.782 54.840 -0.125 0.000 0.749 340 L CB -0.621 41.396 42.059 -0.069 0.000 0.901 340 L HN 0.313 8.543 8.230 -0.000 0.000 0.433 341 C N -0.042 119.149 119.300 -0.181 0.000 2.398 341 C HA -0.176 4.285 4.460 0.002 0.000 0.276 341 C C 2.829 177.729 174.990 -0.150 0.000 1.222 341 C CA 0.843 59.753 59.018 -0.180 0.000 1.746 341 C CB -0.659 27.067 27.740 -0.022 0.000 2.039 341 C HN 0.493 8.723 8.230 -0.000 0.000 0.470 342 E N 0.478 120.621 120.200 -0.095 0.000 2.072 342 E HA -0.054 4.297 4.350 0.002 0.000 0.191 342 E C 1.940 178.485 176.600 -0.091 0.000 0.985 342 E CA 1.002 57.366 56.400 -0.061 0.000 0.801 342 E CB -0.430 29.245 29.700 -0.042 0.000 0.750 342 E HN 0.629 8.989 8.360 -0.000 0.000 0.452 343 I N 0.583 121.076 120.570 -0.129 0.000 2.163 343 I HA -0.297 3.874 4.170 0.002 0.000 0.243 343 I C 2.405 178.415 176.117 -0.177 0.000 1.085 343 I CA 0.939 62.160 61.300 -0.132 0.000 1.347 343 I CB -0.331 37.586 38.000 -0.137 0.000 1.044 343 I HN 0.061 8.271 8.210 -0.000 0.000 0.408 344 L N 0.446 121.472 121.223 -0.329 0.000 2.046 344 L HA -0.227 4.114 4.340 0.002 0.000 0.208 344 L C 2.842 179.592 176.870 -0.200 0.000 1.077 344 L CA 1.481 56.039 54.840 -0.470 0.000 0.747 344 L CB -0.728 40.571 42.059 -1.267 0.000 0.896 344 L HN 0.274 8.504 8.230 -0.000 0.000 0.432 345 A N -0.057 122.701 122.820 -0.104 0.000 1.873 345 A HA -0.179 4.142 4.320 0.002 0.000 0.215 345 A C 2.319 179.941 177.584 0.062 0.000 1.186 345 A CA 1.602 53.709 52.037 0.117 0.000 0.616 345 A CB -0.215 18.870 19.000 0.142 0.000 0.823 345 A HN 0.319 8.469 8.150 -0.000 0.000 0.442 346 K N -1.334 119.069 120.400 0.005 0.000 2.128 346 K HA 0.012 4.333 4.320 0.002 0.000 0.202 346 K C 2.099 178.695 176.600 -0.006 0.000 1.050 346 K CA 1.315 57.605 56.287 0.004 0.000 0.966 346 K CB 0.098 32.593 32.500 -0.008 0.000 0.759 346 K HN 0.682 8.932 8.250 -0.000 0.000 0.454 347 E N 0.451 120.633 120.200 -0.031 0.000 2.419 347 E HA -0.026 4.325 4.350 0.002 0.000 0.197 347 E C 1.737 178.312 176.600 -0.042 0.000 0.920 347 E CA 0.133 56.514 56.400 -0.033 0.000 1.085 347 E CB 0.296 29.973 29.700 -0.039 0.000 1.084 347 E HN -0.145 8.215 8.360 -0.000 0.000 0.490 348 K N 0.738 121.091 120.400 -0.077 0.000 2.057 348 K HA -0.119 4.202 4.320 0.002 0.000 0.207 348 K C -0.006 176.553 176.600 -0.068 0.000 1.049 348 K CA 1.767 57.997 56.287 -0.095 0.000 0.931 348 K CB 0.126 32.531 32.500 -0.157 0.000 0.714 348 K HN 0.063 8.313 8.250 -0.000 0.000 0.440 349 D N -1.507 118.879 120.400 -0.024 0.000 2.846 349 D HA 0.036 4.677 4.640 0.002 0.000 0.279 349 D C 0.223 176.632 176.300 0.181 0.000 1.222 349 D CA 0.004 54.054 54.000 0.083 0.000 0.769 349 D CB 0.228 41.133 40.800 0.175 0.000 1.299 349 D HN 0.097 8.467 8.370 -0.000 0.000 0.537 350 T N -0.862 113.755 114.554 0.106 0.000 3.007 350 T HA -0.137 4.214 4.350 0.002 0.000 0.270 350 T C 1.935 176.700 174.700 0.109 0.000 1.107 350 T CA 0.444 62.614 62.100 0.116 0.000 1.118 350 T CB -0.251 68.655 68.868 0.064 0.000 0.889 350 T HN 0.278 8.518 8.240 -0.000 0.000 0.506 351 I N 2.698 123.320 120.570 0.087 0.000 2.315 351 I HA -0.084 4.087 4.170 0.002 0.000 0.251 351 I C 1.500 177.649 176.117 0.054 0.000 1.125 351 I CA 1.016 62.349 61.300 0.055 0.000 1.392 351 I CB -0.246 37.775 38.000 0.035 0.000 1.065 351 I HN 0.411 8.621 8.210 -0.000 0.000 0.424 352 R N 0.782 121.337 120.500 0.091 0.000 3.220 352 R HA 0.204 4.545 4.340 0.002 0.000 0.324 352 R C 0.943 177.335 176.300 0.155 0.000 1.283 352 R CA -0.265 55.860 56.100 0.041 0.000 1.387 352 R CB -0.379 29.848 30.300 -0.122 0.000 1.413 352 R HN 0.341 8.611 8.270 -0.000 0.000 0.610 353 K N 0.056 120.557 120.400 0.169 0.000 2.217 353 K HA -0.034 4.287 4.320 0.002 0.000 0.202 353 K C 0.854 177.557 176.600 0.172 0.000 1.051 353 K CA 0.496 56.909 56.287 0.211 0.000 0.952 353 K CB 0.224 32.807 32.500 0.138 0.000 0.736 353 K HN 0.065 8.315 8.250 -0.000 0.000 0.453 354 E N 1.130 121.399 120.200 0.115 0.000 2.058 354 E HA -0.207 4.144 4.350 0.002 0.000 0.194 354 E C 1.910 178.587 176.600 0.128 0.000 0.997 354 E CA 1.323 57.781 56.400 0.097 0.000 0.801 354 E CB -0.528 29.204 29.700 0.052 0.000 0.746 354 E HN 0.476 8.836 8.360 -0.000 0.000 0.450 355 Y N -0.342 119.925 120.300 -0.055 0.000 2.114 355 Y HA -0.223 4.328 4.550 0.002 0.000 0.284 355 Y C 2.248 178.144 175.900 -0.007 0.000 1.143 355 Y CA 1.830 59.853 58.100 -0.127 0.000 1.135 355 Y CB -0.753 37.477 38.460 -0.383 0.000 0.980 355 Y HN 0.046 8.326 8.280 -0.000 0.000 0.499 356 W N 0.622 122.002 121.300 0.134 0.000 2.350 356 W HA -0.166 4.495 4.660 0.001 0.000 0.289 356 W C 2.458 178.943 176.519 -0.057 0.000 1.215 356 W CA 1.029 58.373 57.345 -0.002 0.000 1.236 356 W CB -0.074 29.434 29.460 0.080 0.000 1.130 356 W HN -0.040 8.140 8.180 -0.000 0.000 0.541 357 R N -1.188 119.442 120.500 0.216 0.000 2.161 357 R HA -0.118 4.223 4.340 0.002 0.000 0.213 357 R C 1.977 178.307 176.300 0.050 0.000 1.055 357 R CA 1.164 57.334 56.100 0.116 0.000 0.996 357 R CB -0.735 29.626 30.300 0.101 0.000 0.901 357 R HN 0.313 8.583 8.270 -0.000 0.000 0.456 358 Y N 1.459 121.717 120.300 -0.070 0.000 2.200 358 Y HA -0.156 4.395 4.550 0.001 0.000 0.290 358 Y C 1.904 177.713 175.900 -0.152 0.000 1.137 358 Y CA 1.235 59.269 58.100 -0.111 0.000 1.163 358 Y CB -0.022 38.352 38.460 -0.143 0.000 0.988 358 Y HN -0.140 8.140 8.280 -0.000 0.000 0.518 359 I N 0.743 121.152 120.570 -0.267 0.000 2.454 359 I HA -0.187 3.984 4.170 0.002 0.000 0.254 359 I C 2.570 178.571 176.117 -0.194 0.000 1.156 359 I CA 1.454 62.573 61.300 -0.301 0.000 1.433 359 I CB -1.966 35.942 38.000 -0.152 0.000 1.082 359 I HN 0.467 8.677 8.210 -0.000 0.000 0.432 360 G N 0.867 109.605 108.800 -0.103 0.000 2.402 360 G HA2 -0.197 3.764 3.960 0.002 0.000 0.216 360 G HA3 -0.197 3.764 3.960 0.002 0.000 0.216 360 G C 1.883 176.705 174.900 -0.129 0.000 1.162 360 G CA 0.147 45.204 45.100 -0.072 0.000 0.777 360 G HN 0.306 8.596 8.290 -0.000 0.000 0.539 361 R N 0.402 120.791 120.500 -0.185 0.000 2.075 361 R HA 0.021 4.362 4.340 0.002 0.000 0.232 361 R C 2.947 179.100 176.300 -0.245 0.000 1.126 361 R CA 1.279 57.266 56.100 -0.188 0.000 0.963 361 R CB -0.505 29.693 30.300 -0.171 0.000 0.858 361 R HN 0.269 8.539 8.270 -0.000 0.000 0.435 362 S N 1.294 116.740 115.700 -0.423 0.000 2.356 362 S HA -0.102 4.369 4.470 0.002 0.000 0.223 362 S C 1.743 176.224 174.600 -0.199 0.000 1.032 362 S CA 0.865 58.847 58.200 -0.364 0.000 1.005 362 S CB -0.227 62.656 63.200 -0.529 0.000 0.867 362 S HN 0.093 8.403 8.310 -0.000 0.000 0.449 363 L N 1.800 122.918 121.223 -0.175 0.000 2.450 363 L HA -0.111 4.230 4.340 0.002 0.000 0.225 363 L C 2.169 178.991 176.870 -0.081 0.000 1.145 363 L CA 1.465 56.247 54.840 -0.097 0.000 0.801 363 L CB -0.792 41.226 42.059 -0.068 0.000 0.924 363 L HN 0.244 8.474 8.230 -0.000 0.000 0.447 364 Q N -1.683 118.060 119.800 -0.095 0.000 2.061 364 Q HA 0.017 4.358 4.340 0.002 0.000 0.195 364 Q C 2.346 178.308 176.000 -0.062 0.000 0.967 364 Q CA 1.490 57.250 55.803 -0.072 0.000 0.829 364 Q CB -0.483 28.211 28.738 -0.072 0.000 0.900 364 Q HN 0.427 8.697 8.270 -0.000 0.000 0.450 365 S N 1.721 117.379 115.700 -0.071 0.000 2.335 365 S HA -0.063 4.407 4.470 0.002 0.000 0.216 365 S C 0.990 175.563 174.600 -0.045 0.000 1.032 365 S CA 1.106 59.274 58.200 -0.054 0.000 1.000 365 S CB -0.102 63.065 63.200 -0.055 0.000 0.928 365 S HN 0.223 8.533 8.310 -0.000 0.000 0.434 366 K N 0.000 120.370 120.400 -0.049 0.000 2.780 366 K HA 0.000 4.321 4.320 0.002 0.000 0.191 366 K CA 0.000 56.265 56.287 -0.036 0.000 0.838 366 K CB 0.000 32.480 32.500 -0.033 0.000 1.064 366 K HN 0.000 8.250 8.250 -0.000 0.000 0.543