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 8dfr_1_A DATA FIRST_RESID 1 DATA SEQUENCE VRSLNSIVAV CQNMGIGKDG NLPWPPLRNE YKYFQRMTST SHVEGKQNAV DATA SEQUENCE IMGKKTWFSI PEKNRPLKDR INIVLSRELK EAPKGAHYLS KSLDDALALL DATA SEQUENCE DSPELKSKVD MVWIVGGTAV YKAAMEKPIN HRLFVTRILH EFESDTFFPE DATA SEQUENCE IDYKDFKLLT EYPGVPADIQ EEDGIQYKFE VYQKSV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1 V C 0.000 176.072 176.094 -0.037 0.000 1.182 1 V CA 0.000 62.275 62.300 -0.041 0.000 1.235 1 V CB 0.000 31.790 31.823 -0.054 0.000 1.184 2 R N 3.155 123.634 120.500 -0.034 0.000 2.090 2 R HA 0.357 4.490 4.340 -0.344 0.000 0.228 2 R C 0.840 177.120 176.300 -0.033 0.000 1.110 2 R CA 1.171 57.256 56.100 -0.026 0.000 0.973 2 R CB -0.277 30.013 30.300 -0.018 0.000 0.869 2 R HN 1.656 9.926 8.270 -0.000 0.000 0.440 3 S N -0.648 115.019 115.700 -0.054 0.000 2.565 3 S HA 0.555 4.818 4.470 -0.344 0.000 0.269 3 S C -0.951 173.563 174.600 -0.143 0.000 1.153 3 S CA -1.175 56.983 58.200 -0.070 0.000 0.835 3 S CB 1.711 64.889 63.200 -0.037 0.000 1.122 3 S HN 0.104 8.414 8.310 -0.000 0.000 0.462 4 L N 1.639 122.729 121.223 -0.222 0.000 2.323 4 L HA 0.678 4.812 4.340 -0.344 0.000 0.265 4 L C -0.484 176.174 176.870 -0.353 0.000 1.012 4 L CA -0.967 53.648 54.840 -0.376 0.000 0.820 4 L CB 1.910 43.561 42.059 -0.680 0.000 1.334 4 L HN 0.715 8.945 8.230 -0.000 0.000 0.427 5 N N 0.256 118.723 118.700 -0.388 0.000 2.225 5 N HA 0.493 5.027 4.740 -0.344 0.000 0.298 5 N C -1.534 174.017 175.510 0.068 0.000 1.076 5 N CA -0.475 52.395 53.050 -0.301 0.000 0.792 5 N CB 2.435 40.126 38.487 -1.326 0.000 1.498 5 N HN 0.437 8.817 8.380 -0.000 0.000 0.474 6 S N 1.012 117.014 115.700 0.504 0.000 2.542 6 S HA 0.625 4.888 4.470 -0.344 0.000 0.293 6 S C -0.653 174.421 174.600 0.790 0.000 1.089 6 S CA -0.623 57.996 58.200 0.699 0.000 0.961 6 S CB 1.851 65.506 63.200 0.759 0.000 1.062 6 S HN 0.513 8.823 8.310 -0.000 0.000 0.483 7 I N 2.539 123.588 120.570 0.798 0.000 2.582 7 I HA 0.816 4.780 4.170 -0.344 0.000 0.292 7 I C -1.372 175.073 176.117 0.545 0.000 1.066 7 I CA -0.596 61.102 61.300 0.664 0.000 1.053 7 I CB 1.547 39.888 38.000 0.568 0.000 1.241 7 I HN 0.496 8.706 8.210 -0.000 0.000 0.421 8 V N 6.227 126.338 119.914 0.329 0.000 3.178 8 V HA 0.898 4.812 4.120 -0.344 0.000 0.302 8 V C -1.453 174.721 176.094 0.134 0.000 1.262 8 V CA -0.209 62.201 62.300 0.182 0.000 1.030 8 V CB 2.244 33.905 31.823 -0.271 0.000 1.074 8 V HN 0.881 9.071 8.190 -0.000 0.000 0.438 9 A N 3.689 126.607 122.820 0.163 0.000 2.343 9 A HA 0.918 5.031 4.320 -0.344 0.000 0.316 9 A C -0.818 176.874 177.584 0.180 0.000 1.104 9 A CA -0.074 52.037 52.037 0.123 0.000 0.768 9 A CB 1.529 20.646 19.000 0.195 0.000 1.213 9 A HN 1.929 10.079 8.150 -0.000 0.000 0.456 10 V N -0.114 119.817 119.914 0.029 0.000 3.040 10 V HA 0.797 4.710 4.120 -0.344 0.000 0.312 10 V C 0.437 176.567 176.094 0.060 0.000 1.115 10 V CA -0.678 61.702 62.300 0.132 0.000 0.998 10 V CB 0.528 32.366 31.823 0.024 0.000 1.042 10 V HN 1.556 9.746 8.190 -0.000 0.000 0.433 11 C N 1.749 121.196 119.300 0.245 0.000 2.576 11 C HA 0.508 4.761 4.460 -0.344 0.000 0.394 11 C C 1.593 176.695 174.990 0.188 0.000 1.876 11 C CA -0.230 58.929 59.018 0.235 0.000 1.858 11 C CB 0.903 28.959 27.740 0.526 0.000 1.943 11 C HN 0.994 9.224 8.230 -0.000 0.000 0.479 12 Q N 0.642 120.545 119.800 0.173 0.000 2.291 12 Q HA -0.125 4.009 4.340 -0.344 0.000 0.205 12 Q C 1.424 177.514 176.000 0.149 0.000 0.970 12 Q CA 2.109 57.981 55.803 0.115 0.000 0.876 12 Q CB -0.319 28.450 28.738 0.052 0.000 0.935 12 Q HN 0.919 9.189 8.270 -0.000 0.000 0.455 13 N N -0.916 117.913 118.700 0.216 0.000 2.322 13 N HA 0.047 4.580 4.740 -0.344 0.000 0.194 13 N C -0.068 175.661 175.510 0.364 0.000 1.126 13 N CA 0.089 53.298 53.050 0.266 0.000 0.845 13 N CB 0.448 39.133 38.487 0.330 0.000 0.976 13 N HN -0.038 8.342 8.380 -0.000 0.000 0.475 14 M N -1.356 118.428 119.600 0.307 0.000 2.872 14 M HA -0.120 4.154 4.480 -0.344 0.000 0.200 14 M C 0.409 176.961 176.300 0.421 0.000 0.582 14 M CA 0.584 56.086 55.300 0.336 0.000 0.706 14 M CB -2.433 30.362 32.600 0.325 0.000 2.560 14 M HN 0.395 8.685 8.290 -0.000 0.000 0.476 15 G N 1.062 110.042 108.800 0.300 0.000 2.432 15 G HA2 0.520 4.274 3.960 -0.344 0.000 0.257 15 G HA3 0.520 4.274 3.960 -0.344 0.000 0.257 15 G C 1.048 175.966 174.900 0.030 0.000 1.238 15 G CA -0.042 44.987 45.100 -0.119 0.000 0.838 15 G HN 0.740 9.030 8.290 -0.000 0.000 0.547 16 I N -0.460 120.054 120.570 -0.093 0.000 4.403 16 I HA 0.542 4.506 4.170 -0.344 0.000 0.331 16 I C 0.662 176.641 176.117 -0.229 0.000 1.327 16 I CA -0.148 61.141 61.300 -0.018 0.000 1.175 16 I CB 0.891 38.983 38.000 0.153 0.000 1.165 16 I HN 0.568 8.778 8.210 -0.000 0.000 0.413 17 G N 1.286 109.907 108.800 -0.299 0.000 2.677 17 G HA2 0.605 4.358 3.960 -0.344 0.000 0.291 17 G HA3 0.605 4.358 3.960 -0.344 0.000 0.291 17 G C -2.071 172.659 174.900 -0.283 0.000 1.435 17 G CA -0.673 44.242 45.100 -0.307 0.000 0.826 17 G HN 0.105 8.395 8.290 -0.000 0.000 0.491 18 K N 0.744 120.994 120.400 -0.250 0.000 2.588 18 K HA 0.499 4.612 4.320 -0.344 0.000 0.250 18 K C -0.614 175.903 176.600 -0.138 0.000 0.972 18 K CA -0.374 55.809 56.287 -0.173 0.000 0.821 18 K CB 1.070 33.471 32.500 -0.165 0.000 1.249 18 K HN 0.413 8.663 8.250 -0.000 0.000 0.442 19 D N 3.883 124.229 120.400 -0.091 0.000 2.708 19 D HA -0.192 4.242 4.640 -0.344 0.000 0.236 19 D C 0.663 176.916 176.300 -0.078 0.000 1.146 19 D CA 2.165 56.123 54.000 -0.071 0.000 0.662 19 D CB -1.161 39.601 40.800 -0.063 0.000 1.059 19 D HN 1.133 9.503 8.370 -0.000 0.000 0.428 20 G N -0.955 107.798 108.800 -0.080 0.000 2.179 20 G HA2 -0.373 3.381 3.960 -0.344 0.000 0.260 20 G HA3 -0.373 3.381 3.960 -0.344 0.000 0.260 20 G C 0.330 175.168 174.900 -0.103 0.000 0.977 20 G CA 0.686 45.746 45.100 -0.068 0.000 0.641 20 G HN 0.692 8.982 8.290 -0.000 0.000 0.533 21 N N -1.355 117.253 118.700 -0.153 0.000 3.343 21 N HA 0.737 5.271 4.740 -0.344 0.000 0.330 21 N C 0.030 175.348 175.510 -0.320 0.000 1.560 21 N CA -0.818 52.106 53.050 -0.210 0.000 0.752 21 N CB 0.638 39.006 38.487 -0.200 0.000 1.863 21 N HN 0.104 8.484 8.380 -0.000 0.000 0.636 22 L N 1.267 122.222 121.223 -0.447 0.000 2.418 22 L HA 0.379 4.513 4.340 -0.344 0.000 0.265 22 L C -1.406 174.959 176.870 -0.841 0.000 1.143 22 L CA -1.419 52.945 54.840 -0.794 0.000 0.809 22 L CB 0.885 42.345 42.059 -0.999 0.000 1.124 22 L HN 0.588 8.818 8.230 -0.000 0.000 0.456 23 P HA -0.059 4.361 4.420 -0.000 0.000 0.222 23 P C -0.882 176.049 177.300 -0.616 0.000 1.153 23 P CA 0.715 63.438 63.100 -0.628 0.000 0.798 23 P CB 0.114 31.591 31.700 -0.373 0.000 0.796 24 W N -0.910 120.025 121.300 -0.608 0.000 2.647 24 W HA 0.692 5.146 4.660 -0.344 0.000 0.353 24 W C -2.768 173.509 176.519 -0.403 0.000 1.080 24 W CA -2.959 53.880 57.345 -0.843 0.000 1.208 24 W CB -1.211 27.520 29.460 -1.216 0.000 1.396 24 W HN -0.323 7.857 8.180 -0.000 0.000 0.573 25 P HA 0.227 4.647 4.420 -0.000 0.000 0.275 25 P C -2.261 175.067 177.300 0.047 0.000 1.266 25 P CA -1.153 61.930 63.100 -0.027 0.000 0.793 25 P CB -0.267 31.439 31.700 0.010 0.000 1.074 26 P HA 0.102 4.522 4.420 -0.000 0.000 0.267 26 P C -0.891 176.426 177.300 0.028 0.000 1.205 26 P CA 0.654 63.755 63.100 0.001 0.000 0.765 26 P CB 0.249 31.912 31.700 -0.061 0.000 0.828 27 L N 3.880 125.127 121.223 0.040 0.000 2.318 27 L HA 0.383 4.516 4.340 -0.344 0.000 0.277 27 L C 1.981 178.895 176.870 0.074 0.000 1.008 27 L CA -0.639 54.212 54.840 0.018 0.000 0.846 27 L CB 1.617 43.612 42.059 -0.107 0.000 1.220 27 L HN 0.380 8.610 8.230 -0.000 0.000 0.423 28 R N 2.387 122.943 120.500 0.094 0.000 2.080 28 R HA -0.164 3.970 4.340 -0.344 0.000 0.236 28 R C 1.445 177.874 176.300 0.215 0.000 1.137 28 R CA 1.812 58.005 56.100 0.155 0.000 0.943 28 R CB 0.112 30.483 30.300 0.119 0.000 0.846 28 R HN 0.703 8.973 8.270 -0.000 0.000 0.431 29 N N 0.352 119.171 118.700 0.198 0.000 2.244 29 N HA -0.163 4.370 4.740 -0.344 0.000 0.183 29 N C 1.640 177.326 175.510 0.293 0.000 1.016 29 N CA 0.794 53.993 53.050 0.249 0.000 0.866 29 N CB -0.073 38.581 38.487 0.278 0.000 0.980 29 N HN 0.338 8.718 8.380 -0.000 0.000 0.430 30 E N 0.877 121.190 120.200 0.189 0.000 2.047 30 E HA -0.156 3.987 4.350 -0.344 0.000 0.191 30 E C 1.750 178.544 176.600 0.323 0.000 0.987 30 E CA 0.748 57.242 56.400 0.158 0.000 0.799 30 E CB -0.300 29.311 29.700 -0.149 0.000 0.752 30 E HN 0.454 8.814 8.360 -0.000 0.000 0.449 31 Y N 1.574 121.958 120.300 0.139 0.000 2.128 31 Y HA -0.243 4.104 4.550 -0.339 0.000 0.284 31 Y C 2.324 178.350 175.900 0.211 0.000 1.154 31 Y CA 1.928 60.124 58.100 0.159 0.000 1.149 31 Y CB 0.098 38.612 38.460 0.090 0.000 0.976 31 Y HN -0.038 8.242 8.280 -0.000 0.000 0.505 32 K N -0.678 119.798 120.400 0.127 0.000 2.103 32 K HA -0.280 3.834 4.320 -0.344 0.000 0.207 32 K C 1.928 178.523 176.600 -0.008 0.000 1.048 32 K CA 1.916 58.187 56.287 -0.027 0.000 0.930 32 K CB -0.599 31.950 32.500 0.082 0.000 0.716 32 K HN 0.496 8.746 8.250 -0.000 0.000 0.444 33 Y N 0.625 120.923 120.300 -0.004 0.000 2.145 33 Y HA -0.293 4.045 4.550 -0.353 0.000 0.286 33 Y C 2.175 177.996 175.900 -0.133 0.000 1.145 33 Y CA 1.572 59.632 58.100 -0.066 0.000 1.148 33 Y CB -0.334 38.130 38.460 0.007 0.000 0.981 33 Y HN 0.034 8.314 8.280 -0.000 0.000 0.507 34 F N 1.091 120.983 119.950 -0.097 0.000 2.069 34 F HA -0.277 4.047 4.527 -0.338 0.000 0.298 34 F C 2.312 177.854 175.800 -0.430 0.000 1.113 34 F CA 2.054 59.899 58.000 -0.259 0.000 1.214 34 F CB -0.668 38.298 39.000 -0.058 0.000 0.978 34 F HN 0.085 8.385 8.300 -0.000 0.000 0.474 35 Q N 0.511 120.056 119.800 -0.425 0.000 2.061 35 Q HA -0.266 3.868 4.340 -0.344 0.000 0.204 35 Q C 2.470 178.130 176.000 -0.567 0.000 0.984 35 Q CA 2.074 57.541 55.803 -0.560 0.000 0.846 35 Q CB -0.723 27.725 28.738 -0.484 0.000 0.902 35 Q HN 0.530 8.800 8.270 -0.000 0.000 0.421 36 R N -0.152 120.068 120.500 -0.467 0.000 2.075 36 R HA -0.086 4.047 4.340 -0.344 0.000 0.232 36 R C 2.203 178.178 176.300 -0.541 0.000 1.126 36 R CA 1.133 56.988 56.100 -0.408 0.000 0.963 36 R CB 0.019 30.151 30.300 -0.280 0.000 0.858 36 R HN 0.151 8.421 8.270 -0.000 0.000 0.435 37 M N 0.680 119.813 119.600 -0.779 0.000 2.099 37 M HA -0.101 4.173 4.480 -0.344 0.000 0.262 37 M C 2.429 177.984 176.300 -1.242 0.000 1.067 37 M CA 2.260 56.986 55.300 -0.956 0.000 1.124 37 M CB -1.211 30.623 32.600 -1.277 0.000 1.353 37 M HN 0.322 8.612 8.290 -0.000 0.000 0.410 38 T N -2.519 111.161 114.554 -1.458 0.000 2.951 38 T HA 0.009 4.153 4.350 -0.344 0.000 0.268 38 T C 1.896 176.109 174.700 -0.811 0.000 1.073 38 T CA 1.541 62.705 62.100 -1.561 0.000 1.134 38 T CB -0.328 67.679 68.868 -1.435 0.000 0.884 38 T HN 0.231 8.471 8.240 -0.000 0.000 0.479 39 S N 1.009 116.353 115.700 -0.593 0.000 2.458 39 S HA 0.094 4.357 4.470 -0.344 0.000 0.223 39 S C 0.915 175.356 174.600 -0.264 0.000 1.019 39 S CA 0.175 58.169 58.200 -0.343 0.000 0.937 39 S CB -0.192 62.832 63.200 -0.293 0.000 0.788 39 S HN 0.588 8.898 8.310 -0.000 0.000 0.511 40 T N 2.937 117.310 114.554 -0.301 0.000 2.751 40 T HA 0.222 4.365 4.350 -0.344 0.000 0.290 40 T C -0.021 174.487 174.700 -0.320 0.000 0.919 40 T CA 0.059 62.009 62.100 -0.251 0.000 1.136 40 T CB 0.654 69.399 68.868 -0.206 0.000 0.875 40 T HN 0.120 8.360 8.240 -0.000 0.000 0.532 41 S N 2.228 117.767 115.700 -0.268 0.000 2.541 41 S HA 0.244 4.507 4.470 -0.344 0.000 0.283 41 S C 0.250 174.643 174.600 -0.345 0.000 1.196 41 S CA -0.773 57.254 58.200 -0.287 0.000 1.062 41 S CB 0.343 63.471 63.200 -0.121 0.000 1.009 41 S HN 0.799 9.109 8.310 -0.000 0.000 0.502 42 H N 2.225 121.309 119.070 0.022 0.000 2.640 42 H HA 0.507 4.881 4.556 -0.304 0.000 0.312 42 H C -0.800 174.533 175.328 0.008 0.000 1.110 42 H CA -0.321 55.736 56.048 0.015 0.000 1.098 42 H CB 0.207 29.983 29.762 0.023 0.000 1.485 42 H HN 0.154 8.434 8.280 -0.000 0.000 0.526 43 V N 1.341 121.290 119.914 0.058 0.000 2.882 43 V HA 0.027 3.940 4.120 -0.344 0.000 0.295 43 V C -0.461 175.642 176.094 0.015 0.000 1.273 43 V CA -1.272 61.054 62.300 0.043 0.000 0.949 43 V CB 2.481 34.329 31.823 0.042 0.000 1.071 43 V HN 0.473 8.663 8.190 -0.000 0.000 0.432 44 E N 2.797 123.005 120.200 0.014 0.000 2.354 44 E HA 0.556 4.699 4.350 -0.344 0.000 0.269 44 E C 0.899 177.499 176.600 -0.001 0.000 1.036 44 E CA 0.293 56.695 56.400 0.003 0.000 0.876 44 E CB 1.286 30.988 29.700 0.004 0.000 1.009 44 E HN 1.394 9.754 8.360 -0.000 0.000 0.416 45 G N 2.689 111.485 108.800 -0.007 0.000 2.195 45 G HA2 -0.259 3.494 3.960 -0.344 0.000 0.246 45 G HA3 -0.259 3.494 3.960 -0.344 0.000 0.246 45 G C -0.052 174.841 174.900 -0.012 0.000 0.984 45 G CA 0.356 45.451 45.100 -0.008 0.000 0.633 45 G HN 0.521 8.811 8.290 -0.000 0.000 0.525 46 K N -0.314 120.077 120.400 -0.014 0.000 2.350 46 K HA 0.751 4.864 4.320 -0.344 0.000 0.241 46 K C -0.184 176.400 176.600 -0.026 0.000 0.994 46 K CA -0.720 55.556 56.287 -0.017 0.000 0.839 46 K CB 1.801 34.294 32.500 -0.011 0.000 1.244 46 K HN 0.212 8.462 8.250 -0.000 0.000 0.443 47 Q N 0.439 120.224 119.800 -0.025 0.000 2.484 47 Q HA 0.341 4.475 4.340 -0.344 0.000 0.285 47 Q C -1.116 174.878 176.000 -0.010 0.000 1.097 47 Q CA -1.052 54.733 55.803 -0.030 0.000 0.802 47 Q CB 1.981 30.699 28.738 -0.033 0.000 1.444 47 Q HN 0.417 8.687 8.270 -0.000 0.000 0.429 48 N N 0.011 118.711 118.700 -0.000 0.000 2.493 48 N HA 0.565 5.098 4.740 -0.344 0.000 0.275 48 N C -1.203 174.355 175.510 0.080 0.000 1.186 48 N CA -0.127 52.964 53.050 0.068 0.000 0.978 48 N CB 1.352 39.921 38.487 0.137 0.000 1.184 48 N HN 0.590 8.970 8.380 -0.000 0.000 0.487 49 A N 0.233 123.125 122.820 0.119 0.000 2.337 49 A HA 0.659 4.772 4.320 -0.344 0.000 0.329 49 A C -0.376 177.318 177.584 0.182 0.000 1.146 49 A CA -0.663 51.445 52.037 0.119 0.000 0.800 49 A CB 0.676 19.719 19.000 0.072 0.000 1.220 49 A HN 0.440 8.590 8.150 -0.000 0.000 0.472 50 V N 0.143 120.162 119.914 0.176 0.000 2.604 50 V HA 0.784 4.697 4.120 -0.344 0.000 0.305 50 V C -0.573 175.622 176.094 0.168 0.000 1.043 50 V CA -0.646 61.778 62.300 0.206 0.000 0.888 50 V CB 1.162 33.099 31.823 0.191 0.000 0.995 50 V HN 0.674 8.864 8.190 -0.000 0.000 0.429 51 I N 5.992 126.655 120.570 0.155 0.000 2.433 51 I HA 0.712 4.676 4.170 -0.344 0.000 0.292 51 I C -0.046 176.126 176.117 0.091 0.000 1.001 51 I CA -0.543 60.817 61.300 0.101 0.000 1.119 51 I CB 1.880 39.920 38.000 0.068 0.000 1.289 51 I HN 0.906 9.116 8.210 -0.000 0.000 0.438 52 M N 3.869 123.512 119.600 0.071 0.000 2.622 52 M HA 0.762 5.035 4.480 -0.344 0.000 0.276 52 M C -0.520 175.801 176.300 0.035 0.000 1.265 52 M CA -0.682 54.653 55.300 0.057 0.000 0.850 52 M CB 1.966 34.643 32.600 0.128 0.000 1.720 52 M HN 0.474 8.764 8.290 -0.000 0.000 0.465 53 G N 0.712 109.527 108.800 0.025 0.000 2.580 53 G HA2 0.277 4.030 3.960 -0.344 0.000 0.278 53 G HA3 0.277 4.030 3.960 -0.344 0.000 0.278 53 G C 0.056 175.010 174.900 0.090 0.000 1.212 53 G CA -0.538 44.584 45.100 0.037 0.000 0.939 53 G HN 0.998 9.288 8.290 -0.000 0.000 0.513 54 K N -0.403 120.063 120.400 0.111 0.000 2.097 54 K HA -0.053 4.060 4.320 -0.344 0.000 0.205 54 K C 2.222 179.019 176.600 0.329 0.000 1.050 54 K CA 1.330 57.741 56.287 0.207 0.000 0.938 54 K CB -0.080 32.546 32.500 0.209 0.000 0.718 54 K HN 0.476 8.726 8.250 -0.000 0.000 0.442 55 K N -0.253 120.280 120.400 0.222 0.000 2.155 55 K HA -0.060 4.054 4.320 -0.344 0.000 0.203 55 K C 1.644 178.341 176.600 0.162 0.000 1.052 55 K CA 1.451 57.864 56.287 0.210 0.000 0.948 55 K CB 0.131 32.700 32.500 0.115 0.000 0.728 55 K HN 0.062 8.312 8.250 -0.000 0.000 0.448 56 T N 0.761 115.388 114.554 0.122 0.000 2.737 56 T HA -0.180 3.963 4.350 -0.344 0.000 0.265 56 T C 1.170 175.917 174.700 0.078 0.000 1.038 56 T CA 1.169 63.313 62.100 0.074 0.000 1.144 56 T CB -0.333 68.570 68.868 0.059 0.000 0.866 56 T HN 0.476 8.716 8.240 -0.000 0.000 0.434 57 W N 1.222 122.468 121.300 -0.089 0.000 2.318 57 W HA -0.210 4.242 4.660 -0.347 0.000 0.313 57 W C 1.330 177.690 176.519 -0.265 0.000 1.221 57 W CA 1.090 58.299 57.345 -0.228 0.000 1.266 57 W CB -0.554 28.668 29.460 -0.397 0.000 1.150 57 W HN 0.253 8.433 8.180 -0.000 0.000 0.496 58 F N 1.557 121.514 119.950 0.011 0.000 2.604 58 F HA -0.135 4.187 4.527 -0.343 0.000 0.298 58 F C 2.847 178.563 175.800 -0.140 0.000 1.131 58 F CA 1.569 59.512 58.000 -0.096 0.000 1.457 58 F CB -0.882 38.144 39.000 0.043 0.000 1.095 58 F HN -0.117 8.183 8.300 -0.000 0.000 0.574 59 S N -0.266 115.439 115.700 0.009 0.000 2.489 59 S HA 0.044 4.308 4.470 -0.344 0.000 0.228 59 S C 0.707 175.227 174.600 -0.132 0.000 0.995 59 S CA 0.037 58.206 58.200 -0.052 0.000 0.934 59 S CB -0.762 62.408 63.200 -0.050 0.000 0.771 59 S HN 0.196 8.506 8.310 -0.000 0.000 0.522 60 I N 2.849 123.283 120.570 -0.226 0.000 2.441 60 I HA 0.322 4.285 4.170 -0.344 0.000 0.287 60 I C -2.448 173.515 176.117 -0.257 0.000 1.049 60 I CA -2.725 58.417 61.300 -0.263 0.000 1.381 60 I CB 0.785 38.555 38.000 -0.383 0.000 1.409 60 I HN -0.016 8.194 8.210 -0.000 0.000 0.523 61 P HA -0.066 4.354 4.420 -0.000 0.000 0.264 61 P C 0.638 177.832 177.300 -0.178 0.000 1.183 61 P CA 0.156 63.167 63.100 -0.148 0.000 0.763 61 P CB 0.553 32.182 31.700 -0.118 0.000 0.807 62 E N 3.181 123.298 120.200 -0.139 0.000 2.097 62 E HA -0.283 3.861 4.350 -0.344 0.000 0.196 62 E C 0.968 177.496 176.600 -0.120 0.000 1.000 62 E CA 1.368 57.685 56.400 -0.138 0.000 0.804 62 E CB 0.059 29.725 29.700 -0.056 0.000 0.740 62 E HN 0.202 8.562 8.360 -0.000 0.000 0.454 63 K N 0.610 120.960 120.400 -0.084 0.000 2.439 63 K HA -0.033 4.080 4.320 -0.344 0.000 0.197 63 K C 0.995 177.555 176.600 -0.066 0.000 1.041 63 K CA 0.447 56.699 56.287 -0.060 0.000 0.970 63 K CB -0.147 32.330 32.500 -0.039 0.000 0.773 63 K HN 0.125 8.375 8.250 -0.000 0.000 0.479 64 N N 0.586 119.228 118.700 -0.097 0.000 2.270 64 N HA 0.030 4.563 4.740 -0.344 0.000 0.198 64 N C -0.193 175.242 175.510 -0.126 0.000 1.117 64 N CA 0.117 53.118 53.050 -0.080 0.000 0.845 64 N CB 0.498 38.943 38.487 -0.070 0.000 0.980 64 N HN 0.082 8.462 8.380 -0.000 0.000 0.486 65 R N 1.021 121.404 120.500 -0.195 0.000 2.540 65 R HA 0.397 4.531 4.340 -0.344 0.000 0.287 65 R C -2.093 174.159 176.300 -0.079 0.000 0.980 65 R CA -1.435 54.492 56.100 -0.288 0.000 0.966 65 R CB 1.027 30.958 30.300 -0.615 0.000 1.106 65 R HN 0.056 8.326 8.270 -0.000 0.000 0.480 66 P HA 0.077 4.497 4.420 -0.000 0.000 0.274 66 P C -0.465 176.875 177.300 0.067 0.000 1.256 66 P CA -0.386 62.777 63.100 0.105 0.000 0.795 66 P CB 0.691 32.471 31.700 0.134 0.000 1.038 67 L N 0.709 121.998 121.223 0.109 0.000 2.562 67 L HA 0.057 4.191 4.340 -0.344 0.000 0.271 67 L C 1.448 178.374 176.870 0.093 0.000 1.167 67 L CA 0.060 54.957 54.840 0.095 0.000 0.917 67 L CB -0.460 41.677 42.059 0.129 0.000 1.187 67 L HN 0.481 8.711 8.230 -0.000 0.000 0.482 68 K N 4.768 125.202 120.400 0.056 0.000 2.485 68 K HA -0.089 4.024 4.320 -0.344 0.000 0.277 68 K C 0.228 176.839 176.600 0.018 0.000 0.990 68 K CA 0.026 56.340 56.287 0.044 0.000 0.994 68 K CB 0.387 32.901 32.500 0.022 0.000 0.906 68 K HN 0.687 8.937 8.250 -0.000 0.000 0.488 69 D N 1.114 121.527 120.400 0.021 0.000 3.076 69 D HA -0.176 4.257 4.640 -0.344 0.000 0.218 69 D C -0.659 175.630 176.300 -0.017 0.000 1.156 69 D CA 1.180 55.173 54.000 -0.012 0.000 0.921 69 D CB -0.484 40.290 40.800 -0.044 0.000 1.113 69 D HN 0.597 8.967 8.370 -0.000 0.000 0.418 70 R N -0.565 119.953 120.500 0.030 0.000 2.795 70 R HA 0.674 4.808 4.340 -0.344 0.000 0.275 70 R C -0.113 176.251 176.300 0.107 0.000 0.981 70 R CA -0.774 55.351 56.100 0.042 0.000 0.917 70 R CB 1.632 31.953 30.300 0.036 0.000 1.202 70 R HN -0.094 8.176 8.270 -0.000 0.000 0.469 71 I N 1.941 122.557 120.570 0.078 0.000 2.352 71 I HA 0.134 4.098 4.170 -0.344 0.000 0.290 71 I C -0.124 176.197 176.117 0.340 0.000 1.036 71 I CA 0.059 61.431 61.300 0.120 0.000 1.336 71 I CB 0.667 38.703 38.000 0.060 0.000 1.407 71 I HN 0.332 8.542 8.210 -0.000 0.000 0.497 72 N N 8.060 127.137 118.700 0.630 0.000 2.422 72 N HA 0.481 5.014 4.740 -0.344 0.000 0.266 72 N C -0.814 174.795 175.510 0.167 0.000 1.007 72 N CA -0.413 52.815 53.050 0.298 0.000 0.941 72 N CB 1.733 40.355 38.487 0.225 0.000 1.115 72 N HN 0.399 8.779 8.380 -0.000 0.000 0.492 73 I N 2.513 123.154 120.570 0.118 0.000 2.406 73 I HA 0.297 4.261 4.170 -0.344 0.000 0.290 73 I C -0.283 175.813 176.117 -0.035 0.000 0.999 73 I CA -0.903 60.433 61.300 0.060 0.000 1.124 73 I CB 1.968 40.021 38.000 0.087 0.000 1.289 73 I HN 0.060 8.270 8.210 -0.000 0.000 0.441 74 V N 6.968 126.792 119.914 -0.151 0.000 2.547 74 V HA 0.449 4.362 4.120 -0.344 0.000 0.299 74 V C 0.049 176.087 176.094 -0.093 0.000 1.040 74 V CA -0.658 61.535 62.300 -0.178 0.000 0.913 74 V CB 2.023 33.579 31.823 -0.445 0.000 0.992 74 V HN 0.466 8.656 8.190 -0.000 0.000 0.449 75 L N 3.533 124.729 121.223 -0.045 0.000 2.295 75 L HA 0.761 4.894 4.340 -0.344 0.000 0.285 75 L C 0.007 176.872 176.870 -0.008 0.000 1.035 75 L CA 0.053 54.882 54.840 -0.019 0.000 0.806 75 L CB 1.687 43.744 42.059 -0.004 0.000 1.214 75 L HN 0.745 8.975 8.230 -0.000 0.000 0.426 76 S N 1.710 117.408 115.700 -0.004 0.000 2.560 76 S HA 0.392 4.655 4.470 -0.344 0.000 0.283 76 S C -0.056 174.550 174.600 0.010 0.000 1.141 76 S CA -0.687 57.522 58.200 0.014 0.000 0.902 76 S CB 1.551 64.762 63.200 0.019 0.000 1.104 76 S HN 0.709 9.019 8.310 -0.000 0.000 0.454 77 R N 1.812 122.321 120.500 0.015 0.000 2.280 77 R HA 0.275 4.409 4.340 -0.344 0.000 0.195 77 R C 1.371 177.679 176.300 0.013 0.000 0.935 77 R CA 0.624 56.731 56.100 0.012 0.000 1.033 77 R CB 0.213 30.520 30.300 0.013 0.000 0.964 77 R HN 0.661 8.931 8.270 -0.000 0.000 0.489 78 E N 0.149 120.360 120.200 0.018 0.000 2.201 78 E HA 0.094 4.237 4.350 -0.344 0.000 0.193 78 E C -0.037 176.574 176.600 0.018 0.000 0.957 78 E CA 0.061 56.472 56.400 0.017 0.000 0.858 78 E CB 0.347 30.059 29.700 0.020 0.000 0.816 78 E HN 0.135 8.495 8.360 -0.000 0.000 0.475 79 L N 1.830 123.067 121.223 0.022 0.000 2.439 79 L HA 0.108 4.242 4.340 -0.344 0.000 0.269 79 L C 1.252 178.126 176.870 0.006 0.000 1.179 79 L CA -0.158 54.694 54.840 0.020 0.000 0.828 79 L CB 0.523 42.597 42.059 0.026 0.000 1.106 79 L HN -0.045 8.185 8.230 -0.000 0.000 0.467 80 K N 1.107 121.510 120.400 0.006 0.000 2.202 80 K HA 0.160 4.273 4.320 -0.344 0.000 0.201 80 K C 0.321 176.918 176.600 -0.005 0.000 1.051 80 K CA 0.832 57.120 56.287 0.002 0.000 0.977 80 K CB 0.497 32.999 32.500 0.004 0.000 0.792 80 K HN 0.602 8.852 8.250 -0.000 0.000 0.469 81 E N -0.758 119.437 120.200 -0.009 0.000 2.393 81 E HA 0.502 4.645 4.350 -0.344 0.000 0.273 81 E C -1.552 175.015 176.600 -0.054 0.000 0.918 81 E CA -0.984 55.401 56.400 -0.025 0.000 0.773 81 E CB 1.907 31.596 29.700 -0.018 0.000 1.275 81 E HN 0.221 8.581 8.360 -0.000 0.000 0.451 82 A N 3.200 125.965 122.820 -0.091 0.000 2.540 82 A HA 0.256 4.369 4.320 -0.344 0.000 0.239 82 A C -2.218 175.261 177.584 -0.174 0.000 1.061 82 A CA -0.715 51.214 52.037 -0.181 0.000 0.758 82 A CB -0.510 18.353 19.000 -0.229 0.000 0.991 82 A HN 0.235 8.385 8.150 -0.000 0.000 0.502 83 P HA 0.121 4.541 4.420 -0.000 0.000 0.269 83 P C -0.261 176.988 177.300 -0.085 0.000 1.215 83 P CA -0.416 62.612 63.100 -0.120 0.000 0.780 83 P CB 0.372 31.905 31.700 -0.278 0.000 0.898 84 K N 1.849 122.300 120.400 0.085 0.000 2.466 84 K HA 0.182 4.295 4.320 -0.344 0.000 0.278 84 K C 1.275 177.979 176.600 0.173 0.000 1.048 84 K CA 1.486 57.831 56.287 0.095 0.000 1.088 84 K CB -1.281 31.293 32.500 0.123 0.000 0.884 84 K HN 0.744 8.994 8.250 -0.000 0.000 0.478 85 G N 2.198 111.039 108.800 0.068 0.000 2.258 85 G HA2 -0.235 3.518 3.960 -0.344 0.000 0.233 85 G HA3 -0.235 3.518 3.960 -0.344 0.000 0.233 85 G C 0.249 175.119 174.900 -0.050 0.000 1.006 85 G CA 0.089 45.249 45.100 0.100 0.000 0.620 85 G HN 1.006 9.296 8.290 -0.000 0.000 0.511 86 A N -0.283 122.346 122.820 -0.318 0.000 2.371 86 A HA 0.697 4.810 4.320 -0.344 0.000 0.257 86 A C 0.815 178.052 177.584 -0.579 0.000 1.089 86 A CA 0.913 52.514 52.037 -0.726 0.000 0.794 86 A CB 0.256 18.561 19.000 -1.158 0.000 1.029 86 A HN 0.565 8.715 8.150 -0.000 0.000 0.488 87 H N -0.231 118.681 119.070 -0.264 0.000 2.415 87 H HA 0.167 4.516 4.556 -0.345 0.000 0.297 87 H C -0.721 174.155 175.328 -0.753 0.000 1.048 87 H CA 1.806 57.593 56.048 -0.436 0.000 1.365 87 H CB 0.079 29.679 29.762 -0.270 0.000 1.421 87 H HN 0.674 8.954 8.280 -0.000 0.000 0.533 88 Y N -0.725 119.541 120.300 -0.057 0.000 2.581 88 Y HA 0.321 4.664 4.550 -0.345 0.000 0.337 88 Y C -1.290 174.528 175.900 -0.136 0.000 1.108 88 Y CA -1.393 56.667 58.100 -0.068 0.000 1.033 88 Y CB 1.914 40.360 38.460 -0.023 0.000 1.318 88 Y HN -0.122 8.158 8.280 -0.000 0.000 0.459 89 L N 1.330 122.585 121.223 0.054 0.000 2.346 89 L HA 0.912 5.046 4.340 -0.344 0.000 0.276 89 L C -0.963 175.913 176.870 0.010 0.000 1.006 89 L CA -0.132 54.687 54.840 -0.034 0.000 0.817 89 L CB 1.959 43.979 42.059 -0.066 0.000 1.272 89 L HN 0.565 8.794 8.230 -0.000 0.000 0.421 90 S N 2.844 118.539 115.700 -0.009 0.000 2.569 90 S HA 0.520 4.783 4.470 -0.344 0.000 0.280 90 S C 0.086 174.682 174.600 -0.007 0.000 1.111 90 S CA -0.695 57.502 58.200 -0.004 0.000 0.887 90 S CB 1.996 65.191 63.200 -0.008 0.000 1.095 90 S HN 0.636 8.946 8.310 -0.000 0.000 0.476 91 K N 1.018 121.416 120.400 -0.004 0.000 2.374 91 K HA 0.288 4.402 4.320 -0.344 0.000 0.196 91 K C 0.211 176.811 176.600 0.001 0.000 1.023 91 K CA 0.058 56.344 56.287 -0.001 0.000 1.103 91 K CB 0.465 32.966 32.500 0.001 0.000 0.848 91 K HN 0.643 8.893 8.250 -0.000 0.000 0.528 92 S N -1.626 114.074 115.700 -0.000 0.000 2.611 92 S HA 0.207 4.470 4.470 -0.344 0.000 0.268 92 S C 0.160 174.761 174.600 0.001 0.000 1.156 92 S CA -0.956 57.246 58.200 0.003 0.000 0.817 92 S CB 0.640 63.842 63.200 0.004 0.000 1.122 92 S HN -0.052 8.258 8.310 -0.000 0.000 0.466 93 L N 1.426 122.653 121.223 0.007 0.000 2.046 93 L HA 0.046 4.179 4.340 -0.344 0.000 0.208 93 L C 1.585 178.455 176.870 -0.000 0.000 1.077 93 L CA 2.368 57.213 54.840 0.007 0.000 0.747 93 L CB -1.341 40.730 42.059 0.020 0.000 0.896 93 L HN 0.874 9.104 8.230 -0.000 0.000 0.432 94 D N -0.486 119.915 120.400 0.001 0.000 2.116 94 D HA -0.217 4.217 4.640 -0.344 0.000 0.193 94 D C 1.744 178.036 176.300 -0.014 0.000 0.998 94 D CA 1.591 55.588 54.000 -0.004 0.000 0.836 94 D CB -0.182 40.618 40.800 -0.000 0.000 0.951 94 D HN 0.393 8.763 8.370 -0.000 0.000 0.449 95 D N -0.038 120.354 120.400 -0.013 0.000 2.117 95 D HA -0.104 4.329 4.640 -0.344 0.000 0.197 95 D C 2.102 178.382 176.300 -0.035 0.000 0.987 95 D CA 1.211 55.198 54.000 -0.021 0.000 0.829 95 D CB -0.346 40.446 40.800 -0.014 0.000 0.961 95 D HN 0.199 8.569 8.370 -0.000 0.000 0.460 96 A N 0.524 123.326 122.820 -0.030 0.000 1.930 96 A HA -0.092 4.021 4.320 -0.344 0.000 0.217 96 A C 2.416 179.968 177.584 -0.054 0.000 1.175 96 A CA 0.752 52.763 52.037 -0.043 0.000 0.627 96 A CB -0.651 18.335 19.000 -0.022 0.000 0.815 96 A HN 0.202 8.352 8.150 -0.000 0.000 0.443 97 L N -0.823 120.377 121.223 -0.039 0.000 2.046 97 L HA -0.196 3.937 4.340 -0.344 0.000 0.208 97 L C 3.138 179.976 176.870 -0.052 0.000 1.077 97 L CA 1.052 55.866 54.840 -0.043 0.000 0.747 97 L CB -0.663 41.378 42.059 -0.030 0.000 0.896 97 L HN 0.447 8.677 8.230 -0.000 0.000 0.432 98 A N 0.368 123.159 122.820 -0.047 0.000 1.865 98 A HA -0.267 3.846 4.320 -0.344 0.000 0.217 98 A C 2.223 179.765 177.584 -0.071 0.000 1.191 98 A CA 1.977 53.985 52.037 -0.049 0.000 0.623 98 A CB -0.865 18.113 19.000 -0.037 0.000 0.826 98 A HN 0.341 8.491 8.150 -0.000 0.000 0.444 99 L N -0.114 121.054 121.223 -0.092 0.000 1.997 99 L HA -0.209 3.925 4.340 -0.344 0.000 0.216 99 L C 2.308 179.078 176.870 -0.167 0.000 1.074 99 L CA 2.118 56.869 54.840 -0.149 0.000 0.763 99 L CB -0.630 41.314 42.059 -0.191 0.000 0.890 99 L HN 0.423 8.653 8.230 -0.000 0.000 0.434 100 L N -0.602 120.536 121.223 -0.141 0.000 2.079 100 L HA -0.219 3.914 4.340 -0.344 0.000 0.210 100 L C 2.098 178.914 176.870 -0.091 0.000 1.081 100 L CA 1.373 56.139 54.840 -0.123 0.000 0.752 100 L CB -0.793 41.213 42.059 -0.088 0.000 0.896 100 L HN 0.356 8.586 8.230 -0.000 0.000 0.433 101 D N -0.256 120.100 120.400 -0.074 0.000 2.312 101 D HA -0.056 4.378 4.640 -0.344 0.000 0.211 101 D C 1.351 177.619 176.300 -0.055 0.000 0.964 101 D CA 0.528 54.495 54.000 -0.055 0.000 0.877 101 D CB -0.077 40.697 40.800 -0.043 0.000 0.924 101 D HN 0.315 8.685 8.370 -0.000 0.000 0.515 102 S N 0.736 116.394 115.700 -0.070 0.000 2.580 102 S HA 0.048 4.311 4.470 -0.344 0.000 0.266 102 S C -1.595 172.975 174.600 -0.051 0.000 1.354 102 S CA -1.006 57.158 58.200 -0.061 0.000 1.008 102 S CB 1.703 64.861 63.200 -0.070 0.000 0.898 102 S HN -0.214 8.096 8.310 -0.000 0.000 0.555 103 P HA -0.214 4.206 4.420 -0.000 0.000 0.213 103 P C 1.608 178.894 177.300 -0.024 0.000 1.176 103 P CA 1.937 65.022 63.100 -0.025 0.000 0.919 103 P CB -0.152 31.538 31.700 -0.016 0.000 0.791 104 E N -0.491 119.696 120.200 -0.022 0.000 2.049 104 E HA -0.203 3.940 4.350 -0.344 0.000 0.198 104 E C 2.001 178.587 176.600 -0.023 0.000 1.007 104 E CA 1.348 57.742 56.400 -0.011 0.000 0.809 104 E CB -0.675 29.029 29.700 0.007 0.000 0.749 104 E HN 0.066 8.426 8.360 -0.000 0.000 0.450 105 L N 0.303 121.490 121.223 -0.059 0.000 2.007 105 L HA -0.140 3.993 4.340 -0.344 0.000 0.205 105 L C 2.817 179.655 176.870 -0.053 0.000 1.073 105 L CA 1.618 56.411 54.840 -0.078 0.000 0.744 105 L CB -0.780 41.183 42.059 -0.161 0.000 0.898 105 L HN 0.181 8.411 8.230 -0.000 0.000 0.435 106 K N 0.989 121.357 120.400 -0.052 0.000 2.071 106 K HA -0.270 3.843 4.320 -0.344 0.000 0.217 106 K C 2.135 178.719 176.600 -0.026 0.000 1.054 106 K CA 2.432 58.696 56.287 -0.038 0.000 0.937 106 K CB -0.463 32.017 32.500 -0.034 0.000 0.719 106 K HN 0.387 8.637 8.250 -0.000 0.000 0.454 107 S N -0.868 114.819 115.700 -0.021 0.000 2.522 107 S HA -0.014 4.250 4.470 -0.344 0.000 0.227 107 S C 1.846 176.438 174.600 -0.013 0.000 0.986 107 S CA 0.782 58.974 58.200 -0.014 0.000 0.929 107 S CB -0.032 63.162 63.200 -0.011 0.000 0.769 107 S HN 0.380 8.690 8.310 -0.000 0.000 0.529 108 K N 0.534 120.924 120.400 -0.017 0.000 2.356 108 K HA 0.266 4.380 4.320 -0.344 0.000 0.195 108 K C -0.463 176.127 176.600 -0.017 0.000 1.037 108 K CA 0.157 56.435 56.287 -0.015 0.000 1.014 108 K CB 0.453 32.945 32.500 -0.013 0.000 0.815 108 K HN 0.265 8.515 8.250 -0.000 0.000 0.507 109 V N 1.761 121.664 119.914 -0.019 0.000 2.435 109 V HA 0.048 3.961 4.120 -0.344 0.000 0.290 109 V C 0.290 176.377 176.094 -0.011 0.000 1.030 109 V CA -0.471 61.820 62.300 -0.015 0.000 0.881 109 V CB 1.593 33.403 31.823 -0.022 0.000 0.983 109 V HN 0.170 8.360 8.190 -0.000 0.000 0.445 110 D N 3.600 123.997 120.400 -0.005 0.000 2.541 110 D HA 0.232 4.665 4.640 -0.344 0.000 0.261 110 D C 0.547 176.846 176.300 -0.002 0.000 1.415 110 D CA 0.754 54.754 54.000 -0.000 0.000 1.059 110 D CB 0.301 41.096 40.800 -0.008 0.000 0.971 110 D HN 0.426 8.796 8.370 -0.000 0.000 0.308 111 M N 0.423 120.029 119.600 0.009 0.000 2.528 111 M HA 0.426 4.700 4.480 -0.344 0.000 0.318 111 M C -0.813 175.462 176.300 -0.042 0.000 1.195 111 M CA -0.998 54.277 55.300 -0.042 0.000 1.000 111 M CB 2.732 35.326 32.600 -0.009 0.000 1.615 111 M HN -0.170 8.120 8.290 -0.000 0.000 0.469 112 V N 1.090 120.894 119.914 -0.182 0.000 2.417 112 V HA 0.389 4.302 4.120 -0.344 0.000 0.291 112 V C -1.484 174.440 176.094 -0.283 0.000 1.024 112 V CA -0.493 61.739 62.300 -0.113 0.000 0.861 112 V CB 1.303 33.068 31.823 -0.096 0.000 0.985 112 V HN 0.772 8.962 8.190 -0.000 0.000 0.436 113 W N 4.661 125.965 121.300 0.006 0.000 2.656 113 W HA 0.672 5.105 4.660 -0.378 0.000 0.327 113 W C -0.599 175.972 176.519 0.087 0.000 1.041 113 W CA -0.633 56.737 57.345 0.042 0.000 1.229 113 W CB 1.623 31.074 29.460 -0.014 0.000 1.397 113 W HN 0.253 8.433 8.180 -0.000 0.000 0.479 114 I N 4.696 125.482 120.570 0.360 0.000 2.331 114 I HA 0.137 4.101 4.170 -0.344 0.000 0.292 114 I C 0.716 177.068 176.117 0.393 0.000 0.998 114 I CA -0.753 60.722 61.300 0.293 0.000 1.267 114 I CB 0.941 39.116 38.000 0.292 0.000 1.386 114 I HN 0.464 8.674 8.210 -0.000 0.000 0.476 115 V N 3.010 123.066 119.914 0.237 0.000 3.159 115 V HA 0.757 4.671 4.120 -0.344 0.000 0.333 115 V C 0.488 176.593 176.094 0.019 0.000 1.424 115 V CA 0.265 62.739 62.300 0.291 0.000 1.125 115 V CB -0.178 31.883 31.823 0.398 0.000 1.075 115 V HN 1.076 9.266 8.190 -0.000 0.000 0.482 116 G N -0.470 108.045 108.800 -0.476 0.000 2.592 116 G HA2 0.322 4.075 3.960 -0.344 0.000 0.684 116 G HA3 0.322 4.075 3.960 -0.344 0.000 0.684 116 G C 0.131 174.857 174.900 -0.291 0.000 1.291 116 G CA -0.152 44.467 45.100 -0.802 0.000 0.891 116 G HN 1.260 9.550 8.290 -0.000 0.000 0.544 117 G N -1.689 107.010 108.800 -0.168 0.000 2.582 117 G HA2 0.551 4.304 3.960 -0.344 0.000 0.232 117 G HA3 0.551 4.304 3.960 -0.344 0.000 0.232 117 G C 1.547 176.418 174.900 -0.048 0.000 1.458 117 G CA 1.390 46.443 45.100 -0.079 0.000 1.062 117 G HN 1.445 9.735 8.290 -0.000 0.000 0.566 118 T N 1.191 115.835 114.554 0.150 0.000 2.592 118 T HA -0.250 3.893 4.350 -0.344 0.000 0.267 118 T C 2.680 177.433 174.700 0.089 0.000 1.060 118 T CA 2.572 64.779 62.100 0.179 0.000 1.167 118 T CB -0.682 68.261 68.868 0.125 0.000 0.863 118 T HN 0.614 8.854 8.240 -0.000 0.000 0.431 119 A N 0.541 123.387 122.820 0.043 0.000 2.015 119 A HA 0.025 4.138 4.320 -0.344 0.000 0.219 119 A C 2.573 180.168 177.584 0.017 0.000 1.163 119 A CA 1.151 53.203 52.037 0.025 0.000 0.646 119 A CB -0.745 18.268 19.000 0.022 0.000 0.806 119 A HN 0.393 8.543 8.150 -0.000 0.000 0.448 120 V N -1.520 118.380 119.914 -0.023 0.000 2.379 120 V HA -0.230 3.683 4.120 -0.344 0.000 0.245 120 V C 2.312 178.417 176.094 0.019 0.000 1.044 120 V CA 1.664 63.935 62.300 -0.048 0.000 1.036 120 V CB -1.132 30.612 31.823 -0.132 0.000 0.664 120 V HN 0.608 8.798 8.190 -0.000 0.000 0.453 121 Y N 0.802 121.139 120.300 0.061 0.000 2.145 121 Y HA -0.199 4.143 4.550 -0.347 0.000 0.286 121 Y C 2.573 178.452 175.900 -0.036 0.000 1.145 121 Y CA 1.592 59.715 58.100 0.038 0.000 1.148 121 Y CB -0.581 37.828 38.460 -0.086 0.000 0.981 121 Y HN 0.147 8.427 8.280 -0.000 0.000 0.507 122 K N 0.114 120.565 120.400 0.086 0.000 2.026 122 K HA -0.195 3.919 4.320 -0.344 0.000 0.208 122 K C 2.282 178.915 176.600 0.055 0.000 1.048 122 K CA 1.261 57.550 56.287 0.003 0.000 0.929 122 K CB -0.296 32.193 32.500 -0.017 0.000 0.713 122 K HN 0.275 8.525 8.250 -0.000 0.000 0.439 123 A N 0.994 123.855 122.820 0.068 0.000 1.902 123 A HA -0.096 4.018 4.320 -0.344 0.000 0.217 123 A C 2.298 179.952 177.584 0.115 0.000 1.181 123 A CA 1.874 53.954 52.037 0.072 0.000 0.623 123 A CB -0.677 18.354 19.000 0.052 0.000 0.818 123 A HN 0.472 8.622 8.150 -0.000 0.000 0.443 124 A N -0.503 122.417 122.820 0.166 0.000 1.933 124 A HA -0.098 4.016 4.320 -0.344 0.000 0.218 124 A C 2.235 180.048 177.584 0.381 0.000 1.175 124 A CA 1.739 53.928 52.037 0.252 0.000 0.628 124 A CB -0.538 18.647 19.000 0.308 0.000 0.814 124 A HN 0.534 8.684 8.150 -0.000 0.000 0.444 125 M N -0.822 118.969 119.600 0.318 0.000 2.229 125 M HA -0.130 4.144 4.480 -0.344 0.000 0.264 125 M C 1.774 178.233 176.300 0.266 0.000 1.063 125 M CA 1.348 56.826 55.300 0.297 0.000 1.114 125 M CB -0.408 32.227 32.600 0.058 0.000 1.387 125 M HN 0.472 8.762 8.290 -0.000 0.000 0.420 126 E N 0.129 120.431 120.200 0.171 0.000 2.285 126 E HA -0.032 4.111 4.350 -0.344 0.000 0.194 126 E C 0.173 176.841 176.600 0.115 0.000 0.997 126 E CA 0.378 56.850 56.400 0.120 0.000 0.845 126 E CB 0.206 29.951 29.700 0.075 0.000 0.782 126 E HN 0.248 8.608 8.360 -0.000 0.000 0.491 127 K N 2.133 122.612 120.400 0.133 0.000 2.401 127 K HA 0.050 4.163 4.320 -0.344 0.000 0.278 127 K C -2.130 174.524 176.600 0.090 0.000 1.018 127 K CA -1.684 54.660 56.287 0.095 0.000 0.981 127 K CB 0.114 32.662 32.500 0.080 0.000 0.933 127 K HN -0.015 8.235 8.250 -0.000 0.000 0.477 128 P HA 0.182 4.602 4.420 -0.000 0.000 0.225 128 P C -0.471 176.841 177.300 0.020 0.000 1.813 128 P CA -0.100 63.017 63.100 0.029 0.000 1.013 128 P CB -0.353 31.358 31.700 0.018 0.000 1.961 129 I N -0.763 119.827 120.570 0.034 0.000 2.802 129 I HA 0.472 4.435 4.170 -0.344 0.000 0.298 129 I C -0.998 175.138 176.117 0.031 0.000 1.176 129 I CA -1.224 60.088 61.300 0.019 0.000 1.025 129 I CB 2.150 40.153 38.000 0.004 0.000 1.243 129 I HN -0.277 7.933 8.210 -0.000 0.000 0.424 130 N N 4.349 123.055 118.700 0.011 0.000 2.357 130 N HA 0.146 4.679 4.740 -0.344 0.000 0.257 130 N C -1.219 174.341 175.510 0.083 0.000 1.250 130 N CA 0.757 53.819 53.050 0.019 0.000 0.862 130 N CB -0.073 38.419 38.487 0.007 0.000 1.066 130 N HN 0.699 9.079 8.380 -0.000 0.000 0.468 131 H N 0.644 119.697 119.070 -0.028 0.000 3.029 131 H HA 0.365 4.712 4.556 -0.349 0.000 0.358 131 H C -0.980 174.422 175.328 0.123 0.000 1.129 131 H CA -0.866 55.225 56.048 0.071 0.000 1.230 131 H CB 1.114 30.966 29.762 0.150 0.000 1.827 131 H HN 0.382 8.662 8.280 -0.000 0.000 0.530 132 R N 3.505 124.273 120.500 0.447 0.000 2.387 132 R HA 0.302 4.436 4.340 -0.344 0.000 0.314 132 R C -1.447 175.055 176.300 0.337 0.000 0.958 132 R CA -1.137 55.108 56.100 0.242 0.000 0.846 132 R CB 1.851 32.192 30.300 0.068 0.000 1.147 132 R HN 0.301 8.571 8.270 -0.000 0.000 0.447 133 L N 4.000 125.317 121.223 0.156 0.000 2.325 133 L HA 0.488 4.621 4.340 -0.344 0.000 0.281 133 L C -1.515 175.365 176.870 0.016 0.000 1.004 133 L CA -0.322 54.633 54.840 0.191 0.000 0.823 133 L CB 1.000 43.077 42.059 0.031 0.000 1.236 133 L HN 0.414 8.644 8.230 -0.000 0.000 0.415 134 F N 5.375 125.491 119.950 0.277 0.000 2.334 134 F HA 0.542 4.831 4.527 -0.398 0.000 0.367 134 F C -0.012 175.949 175.800 0.268 0.000 1.115 134 F CA -0.561 57.619 58.000 0.300 0.000 1.116 134 F CB 1.466 40.701 39.000 0.391 0.000 1.230 134 F HN 0.138 8.438 8.300 -0.000 0.000 0.484 135 V N 2.522 122.633 119.914 0.330 0.000 2.459 135 V HA 0.427 4.340 4.120 -0.344 0.000 0.295 135 V C -0.076 176.170 176.094 0.253 0.000 1.029 135 V CA -0.732 61.682 62.300 0.190 0.000 0.874 135 V CB 2.014 33.892 31.823 0.092 0.000 0.985 135 V HN 0.664 8.854 8.190 -0.000 0.000 0.438 136 T N 5.584 120.250 114.554 0.187 0.000 2.743 136 T HA 0.398 4.541 4.350 -0.344 0.000 0.292 136 T C 0.031 174.699 174.700 -0.053 0.000 0.972 136 T CA -0.501 61.647 62.100 0.079 0.000 0.967 136 T CB 0.245 69.118 68.868 0.009 0.000 0.926 136 T HN 0.454 8.694 8.240 -0.000 0.000 0.459 137 R N 3.452 123.924 120.500 -0.047 0.000 2.198 137 R HA 0.402 4.535 4.340 -0.344 0.000 0.339 137 R C -0.326 175.935 176.300 -0.065 0.000 1.020 137 R CA -0.451 55.621 56.100 -0.046 0.000 0.864 137 R CB 1.036 31.336 30.300 -0.001 0.000 1.105 137 R HN 0.594 8.864 8.270 -0.000 0.000 0.463 138 I N 4.755 125.253 120.570 -0.120 0.000 2.325 138 I HA 0.087 4.051 4.170 -0.344 0.000 0.291 138 I C 0.907 177.070 176.117 0.077 0.000 1.019 138 I CA -0.327 60.926 61.300 -0.079 0.000 1.302 138 I CB 1.075 38.832 38.000 -0.404 0.000 1.401 138 I HN 0.427 8.637 8.210 -0.000 0.000 0.485 139 L N 7.508 128.823 121.223 0.154 0.000 2.873 139 L HA 0.273 4.406 4.340 -0.344 0.000 0.236 139 L C -0.010 176.630 176.870 -0.383 0.000 1.375 139 L CA 0.102 54.909 54.840 -0.054 0.000 1.239 139 L CB -1.255 40.731 42.059 -0.121 0.000 1.603 139 L HN 0.628 8.858 8.230 -0.000 0.000 0.430 140 H N -0.813 118.257 119.070 -0.000 0.000 2.981 140 H HA 0.397 4.746 4.556 -0.345 0.000 0.327 140 H C -0.985 174.270 175.328 -0.121 0.000 1.342 140 H CA -0.804 55.181 56.048 -0.106 0.000 1.123 140 H CB 1.852 31.504 29.762 -0.184 0.000 1.851 140 H HN 0.130 8.410 8.280 -0.000 0.000 0.531 141 E N 0.936 121.042 120.200 -0.156 0.000 2.183 141 E HA 0.457 4.600 4.350 -0.344 0.000 0.271 141 E C -1.155 175.265 176.600 -0.300 0.000 0.919 141 E CA -0.446 55.911 56.400 -0.071 0.000 0.781 141 E CB 1.929 31.622 29.700 -0.010 0.000 1.140 141 E HN 0.171 8.531 8.360 -0.000 0.000 0.402 142 F N 0.639 120.696 119.950 0.179 0.000 2.593 142 F HA 0.227 4.547 4.527 -0.345 0.000 0.320 142 F C 0.144 176.011 175.800 0.112 0.000 1.060 142 F CA -1.223 56.871 58.000 0.157 0.000 0.940 142 F CB 1.491 40.621 39.000 0.217 0.000 1.268 142 F HN 0.352 8.652 8.300 -0.000 0.000 0.475 143 E N 0.745 121.103 120.200 0.262 0.000 2.316 143 E HA 0.544 4.687 4.350 -0.344 0.000 0.275 143 E C -1.103 175.556 176.600 0.099 0.000 1.029 143 E CA -0.346 56.148 56.400 0.157 0.000 0.871 143 E CB 1.095 30.860 29.700 0.109 0.000 1.022 143 E HN 0.427 8.787 8.360 -0.000 0.000 0.418 144 S N 1.776 117.511 115.700 0.059 0.000 2.599 144 S HA 0.239 4.502 4.470 -0.344 0.000 0.287 144 S C -0.691 173.825 174.600 -0.141 0.000 1.105 144 S CA -0.739 57.371 58.200 -0.150 0.000 0.899 144 S CB 1.421 64.381 63.200 -0.401 0.000 1.100 144 S HN 0.797 9.107 8.310 -0.000 0.000 0.482 145 D N -0.812 119.456 120.400 -0.220 0.000 2.527 145 D HA 0.186 4.619 4.640 -0.344 0.000 0.224 145 D C -0.317 175.931 176.300 -0.088 0.000 1.217 145 D CA -0.007 53.972 54.000 -0.035 0.000 0.819 145 D CB 0.312 41.115 40.800 0.006 0.000 1.061 145 D HN 0.335 8.705 8.370 -0.000 0.000 0.515 146 T N 0.122 114.411 114.554 -0.441 0.000 2.971 146 T HA 0.553 4.696 4.350 -0.344 0.000 0.304 146 T C -1.264 173.117 174.700 -0.533 0.000 1.038 146 T CA -0.489 61.474 62.100 -0.229 0.000 1.007 146 T CB 1.318 70.118 68.868 -0.113 0.000 1.055 146 T HN -0.088 8.152 8.240 -0.000 0.000 0.451 147 F N 1.098 121.109 119.950 0.102 0.000 2.593 147 F HA 0.687 5.007 4.527 -0.345 0.000 0.320 147 F C -0.290 175.610 175.800 0.167 0.000 1.060 147 F CA -1.424 56.658 58.000 0.136 0.000 0.940 147 F CB 1.193 40.249 39.000 0.094 0.000 1.268 147 F HN 0.495 8.795 8.300 -0.000 0.000 0.475 148 F N 4.666 124.747 119.950 0.219 0.000 2.429 148 F HA 0.458 4.779 4.527 -0.343 0.000 0.348 148 F C -1.930 173.912 175.800 0.070 0.000 1.109 148 F CA -2.506 55.543 58.000 0.082 0.000 1.232 148 F CB 0.325 39.308 39.000 -0.027 0.000 1.157 148 F HN 0.170 8.470 8.300 -0.000 0.000 0.564 149 P HA 0.035 4.455 4.420 -0.000 0.000 0.271 149 P C -1.111 175.990 177.300 -0.330 0.000 1.233 149 P CA -0.207 62.670 63.100 -0.371 0.000 0.789 149 P CB 0.434 31.887 31.700 -0.412 0.000 0.951 150 E N 0.197 120.276 120.200 -0.202 0.000 2.344 150 E HA 0.176 4.319 4.350 -0.344 0.000 0.270 150 E C 0.127 176.575 176.600 -0.253 0.000 1.021 150 E CA -0.398 55.888 56.400 -0.190 0.000 0.887 150 E CB 0.313 29.916 29.700 -0.162 0.000 0.997 150 E HN 0.372 8.732 8.360 -0.000 0.000 0.429 151 I N 1.166 121.551 120.570 -0.307 0.000 2.365 151 I HA 0.147 4.111 4.170 -0.344 0.000 0.291 151 I C -0.101 175.814 176.117 -0.337 0.000 1.004 151 I CA -0.397 60.687 61.300 -0.360 0.000 1.311 151 I CB 1.155 38.905 38.000 -0.416 0.000 1.401 151 I HN 0.202 8.412 8.210 -0.000 0.000 0.491 152 D N 5.896 126.252 120.400 -0.073 0.000 2.402 152 D HA 0.034 4.467 4.640 -0.344 0.000 0.235 152 D C 0.368 176.797 176.300 0.215 0.000 1.226 152 D CA 0.083 54.105 54.000 0.038 0.000 0.918 152 D CB 0.229 41.097 40.800 0.113 0.000 1.043 152 D HN 0.572 8.942 8.370 -0.000 0.000 0.506 153 Y N 2.541 122.908 120.300 0.111 0.000 2.651 153 Y HA -0.070 4.273 4.550 -0.345 0.000 0.296 153 Y C 1.974 177.950 175.900 0.127 0.000 1.150 153 Y CA 0.609 58.791 58.100 0.137 0.000 1.348 153 Y CB -0.133 38.392 38.460 0.108 0.000 0.983 153 Y HN 0.395 8.675 8.280 -0.000 0.000 0.555 154 K N -0.744 119.802 120.400 0.243 0.000 2.305 154 K HA -0.056 4.057 4.320 -0.344 0.000 0.199 154 K C 0.998 177.673 176.600 0.124 0.000 1.047 154 K CA 1.049 57.428 56.287 0.153 0.000 0.976 154 K CB 0.209 32.768 32.500 0.099 0.000 0.765 154 K HN 0.142 8.392 8.250 -0.000 0.000 0.474 155 D N -0.206 120.281 120.400 0.146 0.000 2.338 155 D HA 0.056 4.490 4.640 -0.344 0.000 0.224 155 D C -0.240 176.039 176.300 -0.034 0.000 0.967 155 D CA 0.563 54.579 54.000 0.027 0.000 0.896 155 D CB 0.261 41.066 40.800 0.008 0.000 1.028 155 D HN -0.057 8.313 8.370 -0.000 0.000 0.493 156 F N 2.163 122.190 119.950 0.127 0.000 2.390 156 F HA 0.241 4.558 4.527 -0.351 0.000 0.361 156 F C 0.672 176.627 175.800 0.259 0.000 1.124 156 F CA -0.512 57.589 58.000 0.170 0.000 1.149 156 F CB 0.764 39.847 39.000 0.137 0.000 1.160 156 F HN -0.528 7.772 8.300 -0.000 0.000 0.501 157 K N 4.205 124.771 120.400 0.275 0.000 2.156 157 K HA 0.336 4.449 4.320 -0.344 0.000 0.271 157 K C -0.677 175.975 176.600 0.086 0.000 0.995 157 K CA -1.042 55.347 56.287 0.170 0.000 0.890 157 K CB 2.019 34.557 32.500 0.064 0.000 1.073 157 K HN 0.450 8.700 8.250 -0.000 0.000 0.454 158 L N 3.999 125.177 121.223 -0.076 0.000 2.410 158 L HA 0.146 4.280 4.340 -0.344 0.000 0.273 158 L C -0.480 176.247 176.870 -0.239 0.000 1.144 158 L CA 0.197 54.770 54.840 -0.445 0.000 0.863 158 L CB -0.019 41.762 42.059 -0.463 0.000 1.140 158 L HN 0.462 8.692 8.230 -0.000 0.000 0.463 159 L N 4.551 125.632 121.223 -0.238 0.000 2.395 159 L HA 0.287 4.420 4.340 -0.344 0.000 0.269 159 L C 1.486 178.299 176.870 -0.094 0.000 1.133 159 L CA 0.009 54.789 54.840 -0.101 0.000 0.812 159 L CB 1.108 43.146 42.059 -0.035 0.000 1.125 159 L HN 0.826 9.056 8.230 -0.000 0.000 0.452 160 T N -2.189 112.341 114.554 -0.040 0.000 3.067 160 T HA 0.054 4.198 4.350 -0.344 0.000 0.257 160 T C 0.352 175.058 174.700 0.010 0.000 1.105 160 T CA 0.101 62.184 62.100 -0.029 0.000 1.104 160 T CB 0.181 69.035 68.868 -0.023 0.000 0.925 160 T HN 0.698 8.938 8.240 -0.000 0.000 0.498 161 E N -0.906 119.320 120.200 0.044 0.000 2.372 161 E HA 0.483 4.627 4.350 -0.344 0.000 0.279 161 E C -2.293 174.412 176.600 0.176 0.000 0.946 161 E CA -1.091 55.361 56.400 0.087 0.000 0.769 161 E CB 2.035 31.764 29.700 0.048 0.000 1.230 161 E HN 0.234 8.594 8.360 -0.000 0.000 0.442 162 Y N 2.666 122.993 120.300 0.045 0.000 2.442 162 Y HA 0.351 4.927 4.550 0.043 0.000 0.330 162 Y C -2.542 173.415 175.900 0.095 0.000 1.100 162 Y CA -1.916 56.227 58.100 0.073 0.000 1.034 162 Y CB 1.914 40.434 38.460 0.100 0.000 1.285 162 Y HN 0.382 8.662 8.280 -0.000 0.000 0.440 163 P HA 0.145 4.565 4.420 -0.000 0.000 0.256 163 P C 0.656 177.947 177.300 -0.015 0.000 1.173 163 P CA 2.058 65.036 63.100 -0.203 0.000 0.768 163 P CB 0.170 31.679 31.700 -0.318 0.000 0.758 164 G N 1.763 110.601 108.800 0.064 0.000 2.141 164 G HA2 -0.182 3.572 3.960 -0.344 0.000 0.242 164 G HA3 -0.182 3.572 3.960 -0.344 0.000 0.242 164 G C -0.144 174.873 174.900 0.194 0.000 0.982 164 G CA -0.215 44.953 45.100 0.114 0.000 0.662 164 G HN 0.547 8.837 8.290 -0.000 0.000 0.527 165 V N 1.863 121.923 119.914 0.244 0.000 2.378 165 V HA 0.474 4.388 4.120 -0.344 0.000 0.288 165 V C -1.660 174.551 176.094 0.195 0.000 1.016 165 V CA -1.648 60.803 62.300 0.251 0.000 0.840 165 V CB 1.748 33.805 31.823 0.390 0.000 0.994 165 V HN 0.152 8.342 8.190 -0.000 0.000 0.431 166 P HA 0.151 4.571 4.420 -0.000 0.000 0.266 166 P C 0.501 177.915 177.300 0.191 0.000 1.195 166 P CA 0.109 63.319 63.100 0.184 0.000 0.768 166 P CB 0.977 32.824 31.700 0.245 0.000 0.838 167 A N 2.607 125.495 122.820 0.114 0.000 1.911 167 A HA 0.017 4.130 4.320 -0.344 0.000 0.212 167 A C 0.594 178.200 177.584 0.038 0.000 1.189 167 A CA 0.658 52.743 52.037 0.079 0.000 0.639 167 A CB -0.564 18.466 19.000 0.050 0.000 0.839 167 A HN 0.494 8.644 8.150 -0.000 0.000 0.449 168 D N -0.148 120.263 120.400 0.018 0.000 2.378 168 D HA 0.245 4.679 4.640 -0.344 0.000 0.238 168 D C 0.155 176.405 176.300 -0.085 0.000 1.180 168 D CA 0.007 53.990 54.000 -0.028 0.000 0.895 168 D CB 0.379 41.162 40.800 -0.028 0.000 1.192 168 D HN 0.271 8.641 8.370 -0.000 0.000 0.438 169 I N 1.869 122.369 120.570 -0.117 0.000 2.618 169 I HA -0.082 3.881 4.170 -0.344 0.000 0.284 169 I C 0.908 176.859 176.117 -0.277 0.000 1.146 169 I CA -0.022 61.160 61.300 -0.197 0.000 1.425 169 I CB 0.247 38.160 38.000 -0.146 0.000 1.383 169 I HN 0.009 8.219 8.210 -0.000 0.000 0.562 170 Q N 6.061 125.552 119.800 -0.515 0.000 2.193 170 Q HA 0.508 4.641 4.340 -0.344 0.000 0.246 170 Q C -0.647 174.967 176.000 -0.644 0.000 0.959 170 Q CA -0.524 54.883 55.803 -0.661 0.000 0.904 170 Q CB 2.332 30.329 28.738 -1.235 0.000 1.238 170 Q HN 0.568 8.838 8.270 -0.000 0.000 0.469 171 E N 0.406 120.363 120.200 -0.406 0.000 2.331 171 E HA 0.415 4.558 4.350 -0.344 0.000 0.275 171 E C -1.723 174.843 176.600 -0.057 0.000 0.895 171 E CA -0.223 56.058 56.400 -0.198 0.000 0.753 171 E CB 1.991 31.632 29.700 -0.098 0.000 1.216 171 E HN 0.594 8.954 8.360 -0.000 0.000 0.434 172 E N 3.471 123.705 120.200 0.056 0.000 2.354 172 E HA 0.149 4.293 4.350 -0.344 0.000 0.283 172 E C -1.219 175.420 176.600 0.065 0.000 0.938 172 E CA -0.453 56.005 56.400 0.097 0.000 0.777 172 E CB 0.931 30.759 29.700 0.214 0.000 1.222 172 E HN 0.596 8.956 8.360 -0.000 0.000 0.423 173 D N 3.227 123.652 120.400 0.041 0.000 2.708 173 D HA -0.228 4.205 4.640 -0.344 0.000 0.236 173 D C 0.727 177.031 176.300 0.006 0.000 1.146 173 D CA 1.697 55.712 54.000 0.025 0.000 0.662 173 D CB -1.242 39.575 40.800 0.029 0.000 1.059 173 D HN 1.035 9.405 8.370 -0.000 0.000 0.428 174 G N -1.135 107.666 108.800 0.001 0.000 2.189 174 G HA2 -0.323 3.430 3.960 -0.344 0.000 0.267 174 G HA3 -0.323 3.430 3.960 -0.344 0.000 0.267 174 G C 0.285 175.149 174.900 -0.060 0.000 0.975 174 G CA 0.496 45.587 45.100 -0.014 0.000 0.644 174 G HN 0.468 8.758 8.290 -0.000 0.000 0.537 175 I N 0.698 121.218 120.570 -0.083 0.000 2.412 175 I HA 0.453 4.416 4.170 -0.344 0.000 0.296 175 I C 0.494 176.635 176.117 0.041 0.000 0.987 175 I CA -1.002 60.174 61.300 -0.206 0.000 1.180 175 I CB 1.470 39.380 38.000 -0.149 0.000 1.340 175 I HN 0.202 8.412 8.210 -0.000 0.000 0.455 176 Q N 5.077 125.020 119.800 0.238 0.000 2.257 176 Q HA 0.635 4.768 4.340 -0.344 0.000 0.262 176 Q C -1.549 174.539 176.000 0.145 0.000 0.997 176 Q CA -0.654 55.212 55.803 0.104 0.000 0.873 176 Q CB 2.775 31.568 28.738 0.093 0.000 1.312 176 Q HN 0.578 8.848 8.270 -0.000 0.000 0.450 177 Y N -1.899 118.317 120.300 -0.139 0.000 2.638 177 Y HA 0.625 4.965 4.550 -0.349 0.000 0.335 177 Y C -1.688 174.002 175.900 -0.348 0.000 1.155 177 Y CA -1.461 56.489 58.100 -0.250 0.000 1.046 177 Y CB 1.148 39.395 38.460 -0.355 0.000 1.303 177 Y HN 0.468 8.748 8.280 -0.000 0.000 0.460 178 K N 1.024 121.319 120.400 -0.175 0.000 2.426 178 K HA 0.698 4.811 4.320 -0.344 0.000 0.251 178 K C -2.014 174.446 176.600 -0.234 0.000 0.941 178 K CA -0.737 55.396 56.287 -0.258 0.000 0.808 178 K CB 2.270 34.698 32.500 -0.121 0.000 1.265 178 K HN 0.433 8.683 8.250 -0.000 0.000 0.432 179 F N 1.405 121.365 119.950 0.017 0.000 2.408 179 F HA 0.353 4.686 4.527 -0.324 0.000 0.344 179 F C 0.170 175.987 175.800 0.028 0.000 1.112 179 F CA -0.351 57.657 58.000 0.014 0.000 1.096 179 F CB 1.349 40.316 39.000 -0.056 0.000 1.129 179 F HN 0.492 8.792 8.300 -0.000 0.000 0.486 180 E N 1.561 121.902 120.200 0.235 0.000 2.343 180 E HA 0.718 4.862 4.350 -0.344 0.000 0.270 180 E C -1.514 175.087 176.600 0.002 0.000 0.895 180 E CA -1.057 55.373 56.400 0.050 0.000 0.767 180 E CB 3.104 32.808 29.700 0.007 0.000 1.248 180 E HN 0.262 8.622 8.360 -0.000 0.000 0.440 181 V N 2.389 122.167 119.914 -0.227 0.000 2.577 181 V HA 0.383 4.296 4.120 -0.344 0.000 0.303 181 V C -1.380 174.479 176.094 -0.393 0.000 1.042 181 V CA -0.837 61.231 62.300 -0.386 0.000 0.872 181 V CB 0.757 32.196 31.823 -0.641 0.000 0.998 181 V HN 0.585 8.775 8.190 -0.000 0.000 0.423 182 Y N 2.509 122.711 120.300 -0.164 0.000 2.468 182 Y HA 0.702 5.047 4.550 -0.342 0.000 0.342 182 Y C 0.136 176.077 175.900 0.068 0.000 1.021 182 Y CA -0.541 57.571 58.100 0.021 0.000 1.079 182 Y CB 2.130 40.670 38.460 0.133 0.000 1.226 182 Y HN 0.612 8.892 8.280 -0.000 0.000 0.460 183 Q N 2.869 122.804 119.800 0.225 0.000 2.305 183 Q HA 0.373 4.506 4.340 -0.344 0.000 0.271 183 Q C -1.647 174.320 176.000 -0.054 0.000 1.046 183 Q CA -1.046 54.813 55.803 0.093 0.000 0.798 183 Q CB 1.806 30.562 28.738 0.031 0.000 1.286 183 Q HN 0.667 8.937 8.270 -0.000 0.000 0.435 184 K N 2.201 122.443 120.400 -0.264 0.000 2.274 184 K HA 0.508 4.621 4.320 -0.344 0.000 0.262 184 K C -1.346 175.137 176.600 -0.195 0.000 0.961 184 K CA -0.410 55.597 56.287 -0.466 0.000 0.833 184 K CB 1.556 33.416 32.500 -1.067 0.000 1.102 184 K HN 0.563 8.813 8.250 -0.000 0.000 0.436 185 S N 2.658 118.278 115.700 -0.133 0.000 2.437 185 S HA 0.407 4.671 4.470 -0.344 0.000 0.305 185 S C -0.469 174.094 174.600 -0.062 0.000 1.109 185 S CA -0.780 57.382 58.200 -0.064 0.000 1.099 185 S CB 1.510 64.689 63.200 -0.035 0.000 1.004 185 S HN 0.410 8.720 8.310 -0.000 0.000 0.475 186 V N 0.000 119.889 119.914 -0.041 0.000 2.409 186 V HA 0.000 3.913 4.120 -0.344 0.000 0.244 186 V CA 0.000 62.282 62.300 -0.029 0.000 1.235 186 V CB 0.000 31.811 31.823 -0.020 0.000 1.184 186 V HN 0.000 8.190 8.190 -0.000 0.000 0.556