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 3i5j_1_B DATA FIRST_RESID 2 DATA SEQUENCE SFESKKPMRT WSHLAEMRKK PSEYDIVSRK LHYSTNNPDS PWELSPDSPM DATA SEQUENCE NLWYKQYRNA SPLKHDNWDA FTDPDQLVYR TYNLMQDGQE SYVQSLFDQF DATA SEQUENCE NEREHDQMVR EGWEHTMARC YSPLRYLFHC LQMSSAYVQQ MAPASTISNC DATA SEQUENCE CILQTADSLR WLTHTAYRTH ELSLTYPDAG LGEHERELWE KEPGWQGLRE DATA SEQUENCE LMEKQLTAFD WGEAFVSLNL VVKPMIVESI FKPLQQQAWE NNDTLLPLLI DATA SEQUENCE DSQLKDAERH SRWSKALVKH ALENPDNHAV IEGWIEKWRP LADRAAEAYL DATA SEQUENCE SMLSS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 2 S C 0.000 174.428 174.600 -0.287 0.000 1.055 2 S CA 0.000 58.092 58.200 -0.181 0.000 1.107 2 S CB 0.000 63.179 63.200 -0.035 0.000 0.593 3 F N 2.181 122.134 119.950 0.004 0.000 2.427 3 F HA 0.526 5.054 4.527 0.002 0.000 0.346 3 F C 0.745 176.548 175.800 0.005 0.000 1.120 3 F CA -0.414 57.589 58.000 0.005 0.000 1.033 3 F CB 1.768 40.770 39.000 0.005 0.000 1.126 3 F HN 0.767 9.067 8.300 -0.000 0.000 0.462 4 E N 0.457 120.764 120.200 0.178 0.000 2.254 4 E HA 0.490 4.841 4.350 0.001 0.000 0.261 4 E C -0.797 175.866 176.600 0.106 0.000 1.051 4 E CA -1.084 55.381 56.400 0.108 0.000 0.902 4 E CB 1.517 31.254 29.700 0.062 0.000 1.168 4 E HN 0.375 8.735 8.360 -0.000 0.000 0.423 5 S N -0.068 115.672 115.700 0.067 0.000 2.562 5 S HA 0.258 4.728 4.470 0.001 0.000 0.275 5 S C -0.841 173.786 174.600 0.045 0.000 1.281 5 S CA -0.555 57.675 58.200 0.050 0.000 1.045 5 S CB 0.172 63.393 63.200 0.034 0.000 0.962 5 S HN 0.408 8.718 8.310 -0.000 0.000 0.503 6 K N 2.487 122.912 120.400 0.042 0.000 2.502 6 K HA 0.329 4.650 4.320 0.001 0.000 0.257 6 K C -1.034 175.582 176.600 0.027 0.000 0.938 6 K CA -1.018 55.290 56.287 0.036 0.000 0.819 6 K CB 1.961 34.489 32.500 0.046 0.000 1.333 6 K HN 0.688 8.938 8.250 -0.000 0.000 0.434 7 K N 0.976 121.388 120.400 0.021 0.000 2.168 7 K HA 0.343 4.663 4.320 0.001 0.000 0.258 7 K C -2.322 174.287 176.600 0.015 0.000 1.010 7 K CA -1.416 54.879 56.287 0.014 0.000 0.929 7 K CB -0.417 32.088 32.500 0.009 0.000 0.998 7 K HN 0.157 8.407 8.250 -0.000 0.000 0.479 8 P HA -0.042 4.378 4.420 -0.000 0.000 0.267 8 P C -0.813 176.488 177.300 0.002 0.000 1.201 8 P CA 0.312 63.416 63.100 0.008 0.000 0.775 8 P CB 0.394 32.093 31.700 -0.001 0.000 0.854 9 M N 1.451 121.053 119.600 0.003 0.000 2.528 9 M HA 0.328 4.809 4.480 0.001 0.000 0.318 9 M C 1.586 177.860 176.300 -0.044 0.000 1.195 9 M CA -0.518 54.776 55.300 -0.009 0.000 1.000 9 M CB 1.681 34.289 32.600 0.014 0.000 1.615 9 M HN 0.304 8.594 8.290 -0.000 0.000 0.469 10 R N -0.765 119.699 120.500 -0.060 0.000 2.307 10 R HA 0.154 4.495 4.340 0.001 0.000 0.199 10 R C 0.537 176.739 176.300 -0.163 0.000 1.000 10 R CA 0.479 56.522 56.100 -0.095 0.000 1.023 10 R CB -0.033 30.219 30.300 -0.079 0.000 0.908 10 R HN 0.661 8.931 8.270 -0.000 0.000 0.473 11 T N -1.376 113.073 114.554 -0.174 0.000 2.648 11 T HA 0.280 4.630 4.350 0.001 0.000 0.304 11 T C -1.475 173.116 174.700 -0.181 0.000 1.312 11 T CA -1.004 60.907 62.100 -0.314 0.000 1.023 11 T CB 0.224 68.924 68.868 -0.279 0.000 1.612 11 T HN 0.318 8.558 8.240 -0.000 0.000 0.487 12 W N 1.944 123.195 121.300 -0.083 0.000 2.209 12 W HA 0.202 4.862 4.660 -0.000 0.000 0.344 12 W C 2.111 178.591 176.519 -0.066 0.000 1.285 12 W CA -0.044 57.271 57.345 -0.050 0.000 1.267 12 W CB 0.300 29.745 29.460 -0.026 0.000 1.167 12 W HN 0.846 9.026 8.180 -0.000 0.000 0.574 13 S N 0.401 116.277 115.700 0.293 0.000 2.387 13 S HA -0.378 4.093 4.470 0.001 0.000 0.230 13 S C 1.408 176.105 174.600 0.162 0.000 1.035 13 S CA 1.891 60.196 58.200 0.175 0.000 1.014 13 S CB -0.914 62.382 63.200 0.158 0.000 0.836 13 S HN 0.767 9.077 8.310 -0.000 0.000 0.466 14 H N 0.730 119.884 119.070 0.140 0.000 2.529 14 H HA 0.312 4.869 4.556 0.001 0.000 0.277 14 H C 1.581 176.973 175.328 0.106 0.000 0.999 14 H CA 0.946 57.053 56.048 0.098 0.000 1.256 14 H CB -0.316 29.485 29.762 0.064 0.000 1.402 14 H HN 0.404 8.684 8.280 -0.000 0.000 0.566 15 L N 0.002 121.036 121.223 -0.315 0.000 2.616 15 L HA 0.398 4.739 4.340 0.001 0.000 0.229 15 L C 2.343 179.164 176.870 -0.082 0.000 1.110 15 L CA 0.361 55.073 54.840 -0.213 0.000 0.884 15 L CB 0.021 41.921 42.059 -0.265 0.000 1.115 15 L HN 0.440 8.670 8.230 -0.000 0.000 0.481 16 A N 0.010 122.806 122.820 -0.040 0.000 2.125 16 A HA -0.115 4.206 4.320 0.001 0.000 0.219 16 A C 1.876 179.455 177.584 -0.007 0.000 1.156 16 A CA 1.172 53.198 52.037 -0.020 0.000 0.671 16 A CB -0.142 18.864 19.000 0.009 0.000 0.794 16 A HN 0.270 8.420 8.150 -0.000 0.000 0.459 17 E N -0.959 119.243 120.200 0.004 0.000 2.474 17 E HA 0.138 4.489 4.350 0.001 0.000 0.195 17 E C 0.457 177.061 176.600 0.008 0.000 1.039 17 E CA -0.196 56.211 56.400 0.011 0.000 0.881 17 E CB -0.177 29.537 29.700 0.024 0.000 0.970 17 E HN 0.686 9.046 8.360 -0.000 0.000 0.486 18 M N 1.942 121.541 119.600 -0.002 0.000 2.250 18 M HA -0.062 4.419 4.480 0.001 0.000 0.337 18 M C 1.666 177.964 176.300 -0.002 0.000 1.161 18 M CA 0.256 55.556 55.300 -0.000 0.000 1.088 18 M CB 0.675 33.268 32.600 -0.011 0.000 1.639 18 M HN -0.087 8.203 8.290 -0.000 0.000 0.447 19 R N 3.581 124.083 120.500 0.003 0.000 2.075 19 R HA 0.061 4.402 4.340 0.001 0.000 0.226 19 R C -0.037 176.260 176.300 -0.005 0.000 1.114 19 R CA 0.930 57.030 56.100 0.000 0.000 0.972 19 R CB -0.648 29.654 30.300 0.005 0.000 0.869 19 R HN 0.555 8.825 8.270 -0.000 0.000 0.437 20 K N 2.085 122.483 120.400 -0.004 0.000 2.126 20 K HA 0.173 4.494 4.320 0.001 0.000 0.257 20 K C -0.116 176.474 176.600 -0.017 0.000 1.007 20 K CA -0.639 55.643 56.287 -0.008 0.000 0.928 20 K CB 1.233 33.731 32.500 -0.003 0.000 1.013 20 K HN -0.082 8.168 8.250 -0.000 0.000 0.473 21 K N 2.548 122.935 120.400 -0.022 0.000 2.447 21 K HA 0.048 4.369 4.320 0.001 0.000 0.281 21 K C -2.230 174.350 176.600 -0.033 0.000 1.031 21 K CA -1.190 55.077 56.287 -0.034 0.000 1.019 21 K CB 0.119 32.599 32.500 -0.033 0.000 0.918 21 K HN 0.210 8.460 8.250 -0.000 0.000 0.476 22 P HA -0.060 4.360 4.420 -0.000 0.000 0.266 22 P C -0.795 176.491 177.300 -0.023 0.000 1.195 22 P CA -0.077 62.999 63.100 -0.040 0.000 0.768 22 P CB 0.903 32.551 31.700 -0.088 0.000 0.838 23 S N 0.773 116.486 115.700 0.021 0.000 2.645 23 S HA 0.139 4.610 4.470 0.001 0.000 0.266 23 S C 1.329 175.961 174.600 0.053 0.000 1.258 23 S CA -0.515 57.711 58.200 0.043 0.000 0.990 23 S CB 0.842 64.091 63.200 0.081 0.000 0.967 23 S HN 0.580 8.890 8.310 -0.000 0.000 0.556 24 E N 0.138 120.374 120.200 0.060 0.000 2.086 24 E HA -0.300 4.051 4.350 0.001 0.000 0.200 24 E C 1.724 178.386 176.600 0.103 0.000 1.012 24 E CA 1.849 58.291 56.400 0.070 0.000 0.812 24 E CB -0.404 29.341 29.700 0.075 0.000 0.743 24 E HN 0.824 9.184 8.360 -0.000 0.000 0.453 25 Y N 1.902 122.215 120.300 0.021 0.000 2.114 25 Y HA -0.291 4.260 4.550 0.001 0.000 0.282 25 Y C 1.944 177.866 175.900 0.036 0.000 1.165 25 Y CA 2.358 60.471 58.100 0.021 0.000 1.148 25 Y CB -0.280 38.180 38.460 -0.000 0.000 0.972 25 Y HN 0.125 8.405 8.280 -0.000 0.000 0.504 26 D N 0.274 120.719 120.400 0.075 0.000 2.097 26 D HA -0.212 4.428 4.640 0.001 0.000 0.195 26 D C 2.357 178.677 176.300 0.034 0.000 0.989 26 D CA 2.025 56.034 54.000 0.016 0.000 0.827 26 D CB -0.426 40.418 40.800 0.072 0.000 0.966 26 D HN 0.474 8.844 8.370 -0.000 0.000 0.456 27 I N 0.888 121.499 120.570 0.067 0.000 2.226 27 I HA -0.205 3.966 4.170 0.001 0.000 0.245 27 I C 2.297 178.598 176.117 0.307 0.000 1.100 27 I CA 0.976 62.391 61.300 0.192 0.000 1.374 27 I CB -0.035 37.985 38.000 0.034 0.000 1.057 27 I HN -0.033 8.177 8.210 -0.000 0.000 0.413 28 V N -4.488 115.481 119.914 0.092 0.000 3.621 28 V HA 0.234 4.355 4.120 0.001 0.000 0.285 28 V C 1.399 177.445 176.094 -0.079 0.000 1.346 28 V CA 0.618 62.952 62.300 0.056 0.000 1.104 28 V CB 0.492 32.338 31.823 0.038 0.000 0.913 28 V HN 0.223 8.413 8.190 -0.000 0.000 0.432 29 S N -0.393 115.183 115.700 -0.206 0.000 2.575 29 S HA 0.384 4.855 4.470 0.001 0.000 0.230 29 S C 0.810 175.248 174.600 -0.271 0.000 1.062 29 S CA -0.331 57.663 58.200 -0.343 0.000 0.913 29 S CB 0.344 63.083 63.200 -0.770 0.000 0.837 29 S HN 0.530 8.840 8.310 -0.000 0.000 0.487 30 R N 2.089 122.496 120.500 -0.154 0.000 2.349 30 R HA 0.381 4.722 4.340 0.001 0.000 0.299 30 R C -0.388 175.834 176.300 -0.130 0.000 1.027 30 R CA -0.339 55.719 56.100 -0.071 0.000 0.958 30 R CB 0.395 30.767 30.300 0.121 0.000 1.047 30 R HN 0.113 8.383 8.270 -0.000 0.000 0.468 31 K N 2.394 122.682 120.400 -0.187 0.000 3.393 31 K HA -0.172 4.149 4.320 0.001 0.000 0.272 31 K C -0.144 176.283 176.600 -0.287 0.000 1.004 31 K CA 0.181 56.310 56.287 -0.264 0.000 0.764 31 K CB -0.785 31.469 32.500 -0.410 0.000 1.373 31 K HN 0.616 8.866 8.250 -0.000 0.000 0.458 32 L N 0.413 121.476 121.223 -0.265 0.000 2.664 32 L HA 0.135 4.476 4.340 0.001 0.000 0.233 32 L C 0.491 177.308 176.870 -0.088 0.000 1.113 32 L CA -0.547 54.179 54.840 -0.190 0.000 0.896 32 L CB 0.143 42.087 42.059 -0.192 0.000 1.163 32 L HN 0.257 8.487 8.230 -0.000 0.000 0.497 33 H N 0.817 119.786 119.070 -0.167 0.000 3.004 33 H HA 0.044 4.601 4.556 0.001 0.000 0.267 33 H C 0.565 175.722 175.328 -0.285 0.000 1.165 33 H CA -0.506 55.375 56.048 -0.278 0.000 1.450 33 H CB 0.133 29.721 29.762 -0.291 0.000 1.488 33 H HN 0.231 8.511 8.280 -0.000 0.000 0.478 34 Y N 0.661 120.926 120.300 -0.058 0.000 2.509 34 Y HA -0.088 4.462 4.550 0.001 0.000 0.293 34 Y C 1.910 177.674 175.900 -0.228 0.000 1.133 34 Y CA 0.446 58.474 58.100 -0.120 0.000 1.283 34 Y CB -0.303 38.101 38.460 -0.093 0.000 1.001 34 Y HN 0.368 8.648 8.280 -0.000 0.000 0.555 35 S N -0.216 114.950 115.700 -0.890 0.000 2.547 35 S HA -0.146 4.325 4.470 0.001 0.000 0.235 35 S C 1.481 175.725 174.600 -0.593 0.000 0.980 35 S CA 0.962 58.548 58.200 -1.023 0.000 0.941 35 S CB -1.224 60.823 63.200 -1.922 0.000 0.763 35 S HN 0.685 8.995 8.310 -0.000 0.000 0.532 36 T N -1.563 112.793 114.554 -0.331 0.000 3.086 36 T HA 0.238 4.589 4.350 0.001 0.000 0.250 36 T C 1.318 175.959 174.700 -0.098 0.000 1.074 36 T CA -0.171 61.824 62.100 -0.175 0.000 0.988 36 T CB -0.230 68.586 68.868 -0.087 0.000 0.988 36 T HN 0.227 8.467 8.240 -0.000 0.000 0.530 37 N N 2.464 121.108 118.700 -0.093 0.000 2.142 37 N HA -0.007 4.733 4.740 0.001 0.000 0.186 37 N C 0.494 175.984 175.510 -0.033 0.000 1.023 37 N CA 0.839 53.867 53.050 -0.038 0.000 0.852 37 N CB -0.316 38.165 38.487 -0.011 0.000 0.998 37 N HN 0.393 8.773 8.380 -0.000 0.000 0.424 38 N N 0.920 119.588 118.700 -0.054 0.000 2.558 38 N HA 0.229 4.970 4.740 0.001 0.000 0.242 38 N C -2.124 173.359 175.510 -0.045 0.000 0.979 38 N CA -2.024 51.004 53.050 -0.037 0.000 0.931 38 N CB 1.677 40.148 38.487 -0.028 0.000 1.122 38 N HN -0.130 8.250 8.380 -0.000 0.000 0.508 39 P HA -0.053 4.367 4.420 -0.000 0.000 0.218 39 P C 0.421 177.719 177.300 -0.003 0.000 1.148 39 P CA 1.066 64.161 63.100 -0.009 0.000 0.822 39 P CB 0.492 32.199 31.700 0.012 0.000 0.784 40 D N -1.743 118.657 120.400 -0.000 0.000 2.277 40 D HA 0.017 4.658 4.640 0.001 0.000 0.208 40 D C -0.048 176.259 176.300 0.012 0.000 0.962 40 D CA 0.850 54.856 54.000 0.010 0.000 0.865 40 D CB 0.088 40.895 40.800 0.013 0.000 0.939 40 D HN -0.055 8.315 8.370 -0.000 0.000 0.510 41 S N -0.301 115.394 115.700 -0.008 0.000 2.293 41 S HA 0.211 4.681 4.470 0.001 0.000 0.154 41 S C -2.090 172.463 174.600 -0.079 0.000 1.602 41 S CA -0.926 57.272 58.200 -0.004 0.000 1.260 41 S CB 1.612 64.823 63.200 0.019 0.000 1.270 41 S HN -0.036 8.274 8.310 -0.000 0.000 0.416 42 P HA -0.112 4.308 4.420 -0.000 0.000 0.215 42 P C -0.239 176.697 177.300 -0.606 0.000 1.163 42 P CA 1.411 64.204 63.100 -0.511 0.000 0.894 42 P CB 0.182 31.458 31.700 -0.705 0.000 0.791 43 W N -1.257 119.995 121.300 -0.080 0.000 2.512 43 W HA 0.357 5.018 4.660 0.000 0.000 0.335 43 W C 0.596 177.116 176.519 0.000 0.000 1.088 43 W CA -0.887 56.427 57.345 -0.052 0.000 1.236 43 W CB 0.467 29.852 29.460 -0.125 0.000 1.307 43 W HN -0.280 7.900 8.180 -0.000 0.000 0.567 44 E N 2.974 123.354 120.200 0.299 0.000 1.999 44 E HA 0.296 4.647 4.350 0.001 0.000 0.296 44 E C -1.054 175.611 176.600 0.109 0.000 1.187 44 E CA 0.414 56.904 56.400 0.150 0.000 1.229 44 E CB -0.686 29.080 29.700 0.109 0.000 1.131 44 E HN 0.384 8.744 8.360 -0.000 0.000 0.478 45 L N -0.120 121.167 121.223 0.106 0.000 2.656 45 L HA 0.391 4.731 4.340 0.001 0.000 0.252 45 L C -0.000 176.909 176.870 0.065 0.000 1.129 45 L CA -1.468 53.417 54.840 0.075 0.000 0.962 45 L CB 1.108 43.213 42.059 0.077 0.000 1.565 45 L HN -0.074 8.156 8.230 -0.000 0.000 0.389 46 S N 0.586 116.317 115.700 0.052 0.000 2.563 46 S HA 0.066 4.537 4.470 0.001 0.000 0.294 46 S C -1.753 172.886 174.600 0.064 0.000 1.279 46 S CA -0.686 57.543 58.200 0.048 0.000 1.069 46 S CB 0.707 63.931 63.200 0.040 0.000 0.828 46 S HN 0.308 8.618 8.310 -0.000 0.000 0.497 47 P HA -0.064 4.356 4.420 -0.000 0.000 0.219 47 P C 0.091 177.433 177.300 0.069 0.000 1.146 47 P CA 1.135 64.270 63.100 0.059 0.000 0.808 47 P CB 0.087 31.812 31.700 0.042 0.000 0.779 48 D N -1.133 119.304 120.400 0.063 0.000 2.491 48 D HA 0.057 4.698 4.640 0.001 0.000 0.228 48 D C 0.293 176.639 176.300 0.077 0.000 1.183 48 D CA 0.151 54.192 54.000 0.068 0.000 0.827 48 D CB 0.124 40.955 40.800 0.052 0.000 0.989 48 D HN 0.228 8.598 8.370 -0.000 0.000 0.494 49 S N 0.813 116.564 115.700 0.085 0.000 2.576 49 S HA 0.060 4.530 4.470 0.001 0.000 0.272 49 S C -1.603 173.063 174.600 0.111 0.000 1.352 49 S CA -0.814 57.435 58.200 0.081 0.000 1.021 49 S CB 1.499 64.743 63.200 0.074 0.000 0.887 49 S HN -0.178 8.132 8.310 -0.000 0.000 0.542 50 P HA -0.136 4.284 4.420 -0.000 0.000 0.215 50 P C 1.599 179.022 177.300 0.206 0.000 1.157 50 P CA 1.163 64.341 63.100 0.130 0.000 0.874 50 P CB -0.047 31.700 31.700 0.078 0.000 0.790 51 M N -1.172 118.523 119.600 0.159 0.000 2.254 51 M HA -0.066 4.415 4.480 0.001 0.000 0.265 51 M C 1.518 178.097 176.300 0.465 0.000 1.066 51 M CA 1.529 56.982 55.300 0.254 0.000 1.123 51 M CB -0.993 31.600 32.600 -0.012 0.000 1.388 51 M HN -0.205 8.085 8.290 -0.000 0.000 0.425 52 N N 0.086 119.000 118.700 0.355 0.000 2.120 52 N HA -0.101 4.640 4.740 0.001 0.000 0.188 52 N C 1.658 177.346 175.510 0.297 0.000 1.024 52 N CA 1.433 54.683 53.050 0.332 0.000 0.852 52 N CB -0.431 38.183 38.487 0.212 0.000 1.003 52 N HN 0.399 8.779 8.380 -0.000 0.000 0.424 53 L N -0.630 120.746 121.223 0.255 0.000 2.046 53 L HA -0.166 4.175 4.340 0.001 0.000 0.208 53 L C 2.454 179.465 176.870 0.234 0.000 1.077 53 L CA 0.974 55.930 54.840 0.193 0.000 0.747 53 L CB -0.448 41.700 42.059 0.149 0.000 0.896 53 L HN 0.369 8.599 8.230 -0.000 0.000 0.432 54 W N 0.500 121.917 121.300 0.194 0.000 2.335 54 W HA -0.274 4.386 4.660 0.001 0.000 0.311 54 W C 2.442 179.106 176.519 0.242 0.000 1.213 54 W CA 1.678 59.167 57.345 0.239 0.000 1.274 54 W CB -0.539 29.104 29.460 0.304 0.000 1.148 54 W HN 0.135 8.315 8.180 -0.000 0.000 0.498 55 Y N 0.860 121.432 120.300 0.452 0.000 2.242 55 Y HA -0.135 4.416 4.550 0.001 0.000 0.291 55 Y C 2.607 178.572 175.900 0.107 0.000 1.137 55 Y CA 1.999 60.277 58.100 0.297 0.000 1.181 55 Y CB -0.743 37.857 38.460 0.232 0.000 0.989 55 Y HN -0.099 8.181 8.280 -0.000 0.000 0.527 56 K N -0.218 120.306 120.400 0.207 0.000 2.148 56 K HA -0.226 4.095 4.320 0.001 0.000 0.204 56 K C 2.099 178.695 176.600 -0.005 0.000 1.050 56 K CA 1.404 57.742 56.287 0.085 0.000 0.942 56 K CB -0.076 32.464 32.500 0.066 0.000 0.724 56 K HN 0.400 8.650 8.250 -0.000 0.000 0.446 57 Q N -0.526 119.198 119.800 -0.126 0.000 2.089 57 Q HA -0.099 4.241 4.340 0.001 0.000 0.195 57 Q C 1.075 176.868 176.000 -0.345 0.000 0.963 57 Q CA 1.238 56.835 55.803 -0.343 0.000 0.834 57 Q CB 0.221 28.529 28.738 -0.716 0.000 0.906 57 Q HN 0.301 8.571 8.270 -0.000 0.000 0.452 58 Y N -0.807 119.405 120.300 -0.147 0.000 2.481 58 Y HA 0.232 4.783 4.550 0.001 0.000 0.258 58 Y C 2.040 177.962 175.900 0.037 0.000 1.103 58 Y CA 0.200 58.221 58.100 -0.131 0.000 1.287 58 Y CB 0.377 38.623 38.460 -0.358 0.000 1.108 58 Y HN 0.046 8.326 8.280 -0.000 0.000 0.529 59 R N -0.107 120.481 120.500 0.146 0.000 2.049 59 R HA 0.026 4.367 4.340 0.001 0.000 0.202 59 R C 1.392 177.825 176.300 0.221 0.000 1.306 59 R CA 0.745 56.963 56.100 0.196 0.000 1.107 59 R CB -0.103 30.194 30.300 -0.005 0.000 0.996 59 R HN 0.084 8.354 8.270 -0.000 0.000 0.469 60 N N 1.252 120.034 118.700 0.137 0.000 2.166 60 N HA -0.107 4.633 4.740 0.001 0.000 0.186 60 N C 1.182 176.787 175.510 0.159 0.000 1.019 60 N CA 1.644 54.775 53.050 0.136 0.000 0.856 60 N CB -0.213 38.326 38.487 0.086 0.000 0.993 60 N HN 0.338 8.718 8.380 -0.000 0.000 0.426 61 A N -0.162 122.731 122.820 0.122 0.000 2.302 61 A HA 0.144 4.465 4.320 0.001 0.000 0.219 61 A C 0.915 178.592 177.584 0.157 0.000 1.243 61 A CA -0.222 51.880 52.037 0.107 0.000 0.856 61 A CB -0.272 18.746 19.000 0.029 0.000 0.893 61 A HN 0.173 8.323 8.150 -0.000 0.000 0.491 62 S N 0.653 116.497 115.700 0.239 0.000 2.560 62 S HA 0.210 4.681 4.470 0.001 0.000 0.284 62 S C -1.197 173.561 174.600 0.263 0.000 1.327 62 S CA -0.869 57.498 58.200 0.277 0.000 1.055 62 S CB 0.675 64.062 63.200 0.312 0.000 0.868 62 S HN 0.247 8.557 8.310 -0.000 0.000 0.506 63 P HA 0.050 4.470 4.420 -0.000 0.000 0.226 63 P C 0.115 177.485 177.300 0.117 0.000 1.153 63 P CA 0.268 63.437 63.100 0.115 0.000 0.777 63 P CB -0.014 31.678 31.700 -0.013 0.000 0.794 64 L N 0.605 121.970 121.223 0.237 0.000 2.325 64 L HA 0.227 4.568 4.340 0.001 0.000 0.284 64 L C 0.029 177.249 176.870 0.584 0.000 1.089 64 L CA 0.250 55.282 54.840 0.319 0.000 0.836 64 L CB -0.249 41.989 42.059 0.298 0.000 1.184 64 L HN -0.242 7.988 8.230 -0.000 0.000 0.444 65 K N 4.095 124.795 120.400 0.500 0.000 2.378 65 K HA 0.504 4.825 4.320 0.001 0.000 0.252 65 K C -1.347 175.363 176.600 0.183 0.000 0.931 65 K CA -0.912 55.635 56.287 0.434 0.000 0.794 65 K CB 1.706 34.330 32.500 0.207 0.000 1.181 65 K HN 0.537 8.787 8.250 -0.000 0.000 0.425 66 H N 1.715 120.654 119.070 -0.218 0.000 2.996 66 H HA 0.052 4.609 4.556 0.002 0.000 0.368 66 H C -0.686 174.343 175.328 -0.497 0.000 1.185 66 H CA -0.534 55.070 56.048 -0.740 0.000 1.160 66 H CB 1.992 30.641 29.762 -1.855 0.000 1.820 66 H HN 0.785 9.065 8.280 -0.000 0.000 0.547 67 D N 1.228 121.416 120.400 -0.353 0.000 2.355 67 D HA -0.074 4.567 4.640 0.001 0.000 0.218 67 D C 0.211 176.530 176.300 0.031 0.000 1.004 67 D CA 0.362 54.293 54.000 -0.115 0.000 0.880 67 D CB 0.413 41.136 40.800 -0.128 0.000 0.911 67 D HN 0.211 8.581 8.370 -0.000 0.000 0.528 68 N N -0.541 118.290 118.700 0.219 0.000 2.697 68 N HA 0.105 4.846 4.740 0.001 0.000 0.253 68 N C -0.540 175.113 175.510 0.239 0.000 1.604 68 N CA -0.648 52.540 53.050 0.229 0.000 0.772 68 N CB -0.414 38.206 38.487 0.222 0.000 1.267 68 N HN 0.081 8.461 8.380 -0.000 0.000 0.510 69 W N 0.301 121.741 121.300 0.232 0.000 2.350 69 W HA -0.083 4.578 4.660 0.001 0.000 0.289 69 W C 1.492 178.043 176.519 0.054 0.000 1.215 69 W CA 0.311 57.723 57.345 0.112 0.000 1.236 69 W CB 0.311 29.777 29.460 0.010 0.000 1.130 69 W HN 0.343 8.523 8.180 -0.000 0.000 0.541 70 D N -0.233 120.325 120.400 0.263 0.000 2.310 70 D HA -0.074 4.567 4.640 0.001 0.000 0.212 70 D C 2.024 178.385 176.300 0.102 0.000 0.965 70 D CA 1.180 55.261 54.000 0.136 0.000 0.879 70 D CB -0.172 40.678 40.800 0.082 0.000 0.921 70 D HN 0.148 8.518 8.370 -0.000 0.000 0.510 71 A N 0.421 123.307 122.820 0.110 0.000 2.206 71 A HA -0.030 4.291 4.320 0.001 0.000 0.211 71 A C 0.798 178.282 177.584 -0.167 0.000 1.158 71 A CA -0.363 51.707 52.037 0.054 0.000 0.761 71 A CB -0.609 18.505 19.000 0.190 0.000 0.801 71 A HN 0.153 8.303 8.150 -0.000 0.000 0.473 72 F N 1.576 121.225 119.950 -0.502 0.000 2.629 72 F HA 0.287 4.815 4.527 0.001 0.000 0.369 72 F C -0.046 175.691 175.800 -0.104 0.000 1.125 72 F CA 0.844 58.557 58.000 -0.478 0.000 1.330 72 F CB 0.517 39.358 39.000 -0.266 0.000 1.071 72 F HN -0.054 8.246 8.300 -0.000 0.000 0.595 73 T N 5.812 119.657 114.554 -1.182 0.000 2.840 73 T HA 0.113 4.464 4.350 0.001 0.000 0.287 73 T C -1.164 172.848 174.700 -1.146 0.000 0.991 73 T CA -0.651 60.966 62.100 -0.805 0.000 0.964 73 T CB 0.855 69.513 68.868 -0.350 0.000 0.954 73 T HN 0.585 8.825 8.240 -0.000 0.000 0.438 74 D N 4.878 124.849 120.400 -0.715 0.000 2.502 74 D HA 0.024 4.664 4.640 0.001 0.000 0.249 74 D C -0.940 175.162 176.300 -0.330 0.000 1.188 74 D CA -1.665 52.129 54.000 -0.343 0.000 0.890 74 D CB 1.099 41.816 40.800 -0.139 0.000 1.140 74 D HN 0.128 8.498 8.370 -0.000 0.000 0.505 75 P HA -0.128 4.292 4.420 -0.000 0.000 0.219 75 P C 0.257 177.497 177.300 -0.101 0.000 1.146 75 P CA 1.078 64.130 63.100 -0.081 0.000 0.808 75 P CB 0.315 32.043 31.700 0.047 0.000 0.779 76 D N -1.136 119.221 120.400 -0.071 0.000 2.348 76 D HA 0.001 4.642 4.640 0.001 0.000 0.211 76 D C 0.478 176.679 176.300 -0.165 0.000 0.998 76 D CA 0.102 54.066 54.000 -0.060 0.000 0.873 76 D CB -0.301 40.521 40.800 0.038 0.000 0.925 76 D HN 0.088 8.458 8.370 -0.000 0.000 0.524 77 Q N -0.095 119.465 119.800 -0.400 0.000 2.434 77 Q HA -0.211 4.130 4.340 0.001 0.000 0.299 77 Q C -0.619 175.264 176.000 -0.195 0.000 1.286 77 Q CA 0.181 55.518 55.803 -0.776 0.000 0.872 77 Q CB -1.639 26.730 28.738 -0.615 0.000 1.193 77 Q HN 0.478 8.748 8.270 -0.000 0.000 0.466 78 L N 0.426 121.652 121.223 0.006 0.000 2.397 78 L HA 0.397 4.738 4.340 0.001 0.000 0.271 78 L C 0.781 177.823 176.870 0.286 0.000 1.148 78 L CA -0.458 54.477 54.840 0.157 0.000 0.825 78 L CB 0.787 42.945 42.059 0.165 0.000 1.117 78 L HN 0.090 8.320 8.230 -0.000 0.000 0.456 79 V N -0.044 120.011 119.914 0.235 0.000 3.113 79 V HA 0.272 4.393 4.120 0.001 0.000 0.316 79 V C 0.637 176.859 176.094 0.213 0.000 1.125 79 V CA -0.644 61.781 62.300 0.208 0.000 1.026 79 V CB 1.368 33.301 31.823 0.183 0.000 1.080 79 V HN 0.717 8.907 8.190 -0.000 0.000 0.444 80 Y N 0.953 121.291 120.300 0.063 0.000 2.114 80 Y HA -0.187 4.363 4.550 -0.000 0.000 0.282 80 Y C 2.864 178.839 175.900 0.124 0.000 1.165 80 Y CA 2.767 60.908 58.100 0.068 0.000 1.148 80 Y CB -0.079 38.394 38.460 0.022 0.000 0.972 80 Y HN 0.807 9.087 8.280 -0.000 0.000 0.504 81 R N -0.327 120.322 120.500 0.248 0.000 2.096 81 R HA -0.199 4.142 4.340 0.001 0.000 0.240 81 R C 2.144 178.468 176.300 0.039 0.000 1.139 81 R CA 2.478 58.655 56.100 0.129 0.000 0.952 81 R CB -0.633 29.754 30.300 0.145 0.000 0.854 81 R HN 0.586 8.856 8.270 -0.000 0.000 0.436 82 T N -2.638 111.960 114.554 0.075 0.000 3.043 82 T HA -0.109 4.242 4.350 0.001 0.000 0.263 82 T C 1.714 176.435 174.700 0.036 0.000 1.094 82 T CA 0.637 62.765 62.100 0.046 0.000 1.127 82 T CB -0.396 68.508 68.868 0.061 0.000 0.905 82 T HN 0.419 8.659 8.240 -0.000 0.000 0.490 83 Y N 2.754 123.018 120.300 -0.061 0.000 2.145 83 Y HA -0.056 4.494 4.550 0.000 0.000 0.286 83 Y C 2.017 177.837 175.900 -0.134 0.000 1.145 83 Y CA 1.676 59.725 58.100 -0.084 0.000 1.148 83 Y CB -0.685 37.719 38.460 -0.093 0.000 0.981 83 Y HN 0.251 8.531 8.280 -0.000 0.000 0.507 84 N N -0.049 118.586 118.700 -0.108 0.000 2.244 84 N HA -0.158 4.583 4.740 0.001 0.000 0.183 84 N C 1.779 177.187 175.510 -0.170 0.000 1.016 84 N CA 1.202 54.135 53.050 -0.195 0.000 0.866 84 N CB -0.162 38.183 38.487 -0.236 0.000 0.980 84 N HN 0.335 8.715 8.380 -0.000 0.000 0.430 85 L N 0.526 121.677 121.223 -0.119 0.000 2.027 85 L HA -0.145 4.196 4.340 0.001 0.000 0.206 85 L C 2.549 179.348 176.870 -0.119 0.000 1.074 85 L CA 1.045 55.831 54.840 -0.089 0.000 0.745 85 L CB -0.362 41.667 42.059 -0.051 0.000 0.898 85 L HN 0.328 8.558 8.230 -0.000 0.000 0.433 86 M N -0.809 118.702 119.600 -0.149 0.000 2.080 86 M HA -0.253 4.228 4.480 0.001 0.000 0.260 86 M C 2.297 178.468 176.300 -0.215 0.000 1.068 86 M CA 1.785 56.986 55.300 -0.165 0.000 1.109 86 M CB -0.050 32.449 32.600 -0.167 0.000 1.342 86 M HN 0.212 8.502 8.290 -0.000 0.000 0.405 87 Q N -0.180 119.406 119.800 -0.356 0.000 2.245 87 Q HA -0.134 4.207 4.340 0.001 0.000 0.201 87 Q C 1.568 177.462 176.000 -0.178 0.000 0.955 87 Q CA 1.497 57.103 55.803 -0.328 0.000 0.870 87 Q CB -0.517 27.875 28.738 -0.577 0.000 0.945 87 Q HN 0.628 8.898 8.270 -0.000 0.000 0.461 88 D N 0.238 120.545 120.400 -0.155 0.000 2.123 88 D HA -0.133 4.508 4.640 0.001 0.000 0.196 88 D C 1.855 178.120 176.300 -0.059 0.000 0.992 88 D CA 1.598 55.548 54.000 -0.084 0.000 0.833 88 D CB -0.283 40.477 40.800 -0.066 0.000 0.954 88 D HN 0.297 8.667 8.370 -0.000 0.000 0.455 89 G N -0.338 108.421 108.800 -0.068 0.000 2.433 89 G HA2 -0.268 3.693 3.960 0.001 0.000 0.216 89 G HA3 -0.268 3.693 3.960 0.001 0.000 0.216 89 G C 1.634 176.522 174.900 -0.019 0.000 1.186 89 G CA 0.544 45.615 45.100 -0.047 0.000 0.779 89 G HN 0.209 8.499 8.290 -0.000 0.000 0.543 90 Q N -0.048 119.731 119.800 -0.035 0.000 2.079 90 Q HA -0.067 4.274 4.340 0.001 0.000 0.200 90 Q C 2.412 178.451 176.000 0.065 0.000 0.974 90 Q CA 1.512 57.330 55.803 0.024 0.000 0.840 90 Q CB -0.183 28.551 28.738 -0.006 0.000 0.898 90 Q HN 0.572 8.842 8.270 -0.000 0.000 0.430 91 E N 0.033 120.237 120.200 0.006 0.000 2.158 91 E HA -0.061 4.290 4.350 0.001 0.000 0.191 91 E C 1.956 178.524 176.600 -0.054 0.000 0.982 91 E CA 0.958 57.355 56.400 -0.006 0.000 0.823 91 E CB -0.156 29.545 29.700 0.001 0.000 0.766 91 E HN 0.132 8.492 8.360 -0.000 0.000 0.468 92 S N -0.953 114.731 115.700 -0.026 0.000 2.370 92 S HA -0.232 4.238 4.470 0.001 0.000 0.226 92 S C 1.975 176.557 174.600 -0.029 0.000 1.033 92 S CA 1.394 59.577 58.200 -0.028 0.000 1.011 92 S CB -0.617 62.579 63.200 -0.006 0.000 0.852 92 S HN 0.572 8.882 8.310 -0.000 0.000 0.457 93 Y N 2.048 122.274 120.300 -0.123 0.000 2.145 93 Y HA -0.106 4.445 4.550 0.001 0.000 0.286 93 Y C 2.152 177.916 175.900 -0.226 0.000 1.145 93 Y CA 1.881 59.900 58.100 -0.136 0.000 1.148 93 Y CB -0.848 37.543 38.460 -0.116 0.000 0.981 93 Y HN 0.116 8.396 8.280 -0.000 0.000 0.507 94 V N 1.190 120.806 119.914 -0.498 0.000 2.332 94 V HA -0.328 3.793 4.120 0.001 0.000 0.248 94 V C 2.446 177.953 176.094 -0.978 0.000 1.055 94 V CA 2.243 64.025 62.300 -0.864 0.000 1.038 94 V CB -0.741 30.640 31.823 -0.737 0.000 0.651 94 V HN 0.477 8.667 8.190 -0.000 0.000 0.450 95 Q N -0.338 119.108 119.800 -0.590 0.000 2.124 95 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 95 Q C 2.501 178.359 176.000 -0.237 0.000 0.977 95 Q CA 1.812 57.371 55.803 -0.407 0.000 0.850 95 Q CB -0.585 28.042 28.738 -0.185 0.000 0.901 95 Q HN 0.617 8.887 8.270 -0.000 0.000 0.429 96 S N 1.056 116.629 115.700 -0.213 0.000 2.383 96 S HA -0.046 4.425 4.470 0.001 0.000 0.227 96 S C 2.118 176.663 174.600 -0.093 0.000 1.026 96 S CA 0.647 58.786 58.200 -0.101 0.000 0.981 96 S CB -0.176 62.988 63.200 -0.060 0.000 0.818 96 S HN 0.260 8.570 8.310 -0.000 0.000 0.472 97 L N 0.241 121.292 121.223 -0.287 0.000 2.017 97 L HA -0.123 4.218 4.340 0.001 0.000 0.208 97 L C 2.174 179.072 176.870 0.048 0.000 1.073 97 L CA 1.542 56.254 54.840 -0.212 0.000 0.745 97 L CB -0.701 40.985 42.059 -0.621 0.000 0.894 97 L HN 0.332 8.562 8.230 -0.000 0.000 0.432 98 F N 0.109 119.967 119.950 -0.153 0.000 2.091 98 F HA -0.327 4.201 4.527 0.002 0.000 0.299 98 F C 2.537 178.390 175.800 0.088 0.000 1.103 98 F CA 1.018 58.995 58.000 -0.040 0.000 1.228 98 F CB -0.347 38.592 39.000 -0.102 0.000 0.984 98 F HN 0.235 8.535 8.300 -0.000 0.000 0.477 99 D N 0.348 120.899 120.400 0.252 0.000 2.104 99 D HA -0.230 4.411 4.640 0.001 0.000 0.194 99 D C 2.016 178.424 176.300 0.180 0.000 0.994 99 D CA 1.421 55.535 54.000 0.190 0.000 0.830 99 D CB -0.279 40.591 40.800 0.117 0.000 0.959 99 D HN 0.120 8.490 8.370 -0.000 0.000 0.452 100 Q N -0.753 119.160 119.800 0.188 0.000 2.079 100 Q HA -0.021 4.320 4.340 0.001 0.000 0.200 100 Q C 2.049 178.137 176.000 0.147 0.000 0.974 100 Q CA 1.398 57.290 55.803 0.147 0.000 0.840 100 Q CB -0.726 28.093 28.738 0.135 0.000 0.898 100 Q HN 0.411 8.681 8.270 -0.000 0.000 0.430 101 F N -0.113 119.870 119.950 0.054 0.000 2.259 101 F HA -0.020 4.507 4.527 0.001 0.000 0.298 101 F C 2.097 177.962 175.800 0.108 0.000 1.088 101 F CA 1.023 59.061 58.000 0.064 0.000 1.358 101 F CB -0.224 38.761 39.000 -0.025 0.000 1.040 101 F HN 0.264 8.564 8.300 -0.000 0.000 0.505 102 N N 0.371 119.239 118.700 0.281 0.000 2.084 102 N HA -0.206 4.535 4.740 0.001 0.000 0.190 102 N C 1.791 177.370 175.510 0.116 0.000 1.030 102 N CA 1.530 54.690 53.050 0.184 0.000 0.849 102 N CB -0.074 38.519 38.487 0.177 0.000 1.012 102 N HN 0.035 8.415 8.380 -0.000 0.000 0.423 103 E N 0.322 120.581 120.200 0.099 0.000 2.118 103 E HA -0.177 4.173 4.350 0.001 0.000 0.195 103 E C 1.759 178.375 176.600 0.027 0.000 0.992 103 E CA 1.016 57.448 56.400 0.052 0.000 0.804 103 E CB -0.190 29.534 29.700 0.039 0.000 0.741 103 E HN 0.455 8.815 8.360 -0.000 0.000 0.458 104 R N 0.478 120.987 120.500 0.015 0.000 2.313 104 R HA 0.020 4.361 4.340 0.001 0.000 0.199 104 R C -0.002 176.309 176.300 0.018 0.000 0.958 104 R CA 0.103 56.191 56.100 -0.019 0.000 1.047 104 R CB 0.029 30.265 30.300 -0.107 0.000 0.955 104 R HN 0.168 8.438 8.270 -0.000 0.000 0.481 105 E N -0.648 119.586 120.200 0.056 0.000 2.389 105 E HA -0.314 4.037 4.350 0.001 0.000 0.243 105 E C 0.606 177.254 176.600 0.081 0.000 1.154 105 E CA 0.514 56.946 56.400 0.053 0.000 0.723 105 E CB -1.223 28.480 29.700 0.006 0.000 1.261 105 E HN 0.519 8.879 8.360 -0.000 0.000 0.390 106 H N 1.208 120.315 119.070 0.063 0.000 2.357 106 H HA -0.184 4.373 4.556 0.002 0.000 0.296 106 H C 1.341 176.745 175.328 0.126 0.000 1.108 106 H CA 2.308 58.423 56.048 0.111 0.000 1.273 106 H CB 0.356 30.282 29.762 0.274 0.000 1.367 106 H HN 0.279 8.559 8.280 -0.000 0.000 0.498 107 D N 0.651 121.156 120.400 0.176 0.000 2.264 107 D HA -0.116 4.525 4.640 0.001 0.000 0.208 107 D C 2.293 178.671 176.300 0.130 0.000 0.966 107 D CA 0.751 54.857 54.000 0.177 0.000 0.864 107 D CB -0.205 40.737 40.800 0.237 0.000 0.933 107 D HN 0.664 9.034 8.370 -0.000 0.000 0.499 108 Q N -0.367 119.445 119.800 0.020 0.000 2.369 108 Q HA 0.037 4.378 4.340 0.001 0.000 0.206 108 Q C 1.517 177.537 176.000 0.034 0.000 0.963 108 Q CA 0.604 56.416 55.803 0.014 0.000 0.894 108 Q CB 0.028 28.741 28.738 -0.042 0.000 0.965 108 Q HN 0.395 8.665 8.270 -0.000 0.000 0.475 109 M N 0.644 120.216 119.600 -0.046 0.000 2.333 109 M HA 0.169 4.649 4.480 0.001 0.000 0.257 109 M C 0.773 177.002 176.300 -0.118 0.000 1.078 109 M CA -0.040 55.212 55.300 -0.081 0.000 1.005 109 M CB -0.186 32.344 32.600 -0.116 0.000 1.444 109 M HN -0.071 8.219 8.290 -0.000 0.000 0.496 110 V N 0.522 120.368 119.914 -0.113 0.000 3.139 110 V HA 0.181 4.301 4.120 0.001 0.000 0.307 110 V C 0.681 176.728 176.094 -0.078 0.000 1.095 110 V CA -0.694 61.522 62.300 -0.140 0.000 1.160 110 V CB 0.288 32.097 31.823 -0.023 0.000 1.003 110 V HN 0.545 8.735 8.190 -0.000 0.000 0.489 111 R N 1.329 121.753 120.500 -0.126 0.000 2.623 111 R HA 0.091 4.432 4.340 0.001 0.000 0.271 111 R C 0.348 176.655 176.300 0.012 0.000 1.043 111 R CA -0.238 55.819 56.100 -0.070 0.000 1.083 111 R CB 0.306 30.539 30.300 -0.113 0.000 0.974 111 R HN 0.996 9.266 8.270 -0.000 0.000 0.436 112 E N 2.373 122.581 120.200 0.012 0.000 2.765 112 E HA -0.071 4.280 4.350 0.001 0.000 0.256 112 E C 0.746 177.381 176.600 0.058 0.000 0.935 112 E CA 1.917 58.335 56.400 0.031 0.000 0.954 112 E CB 0.036 29.754 29.700 0.031 0.000 0.908 112 E HN 0.744 9.104 8.360 -0.000 0.000 0.500 113 G N 4.837 113.660 108.800 0.039 0.000 2.241 113 G HA2 -0.320 3.641 3.960 0.001 0.000 0.244 113 G HA3 -0.320 3.641 3.960 0.001 0.000 0.244 113 G C 0.939 175.879 174.900 0.065 0.000 0.998 113 G CA 0.275 45.437 45.100 0.103 0.000 0.621 113 G HN 0.679 8.969 8.290 -0.000 0.000 0.519 114 W N 2.267 123.471 121.300 -0.160 0.000 2.350 114 W HA -0.147 4.514 4.660 0.001 0.000 0.289 114 W C 2.289 178.682 176.519 -0.210 0.000 1.215 114 W CA 2.006 59.264 57.345 -0.146 0.000 1.236 114 W CB 0.115 29.492 29.460 -0.138 0.000 1.130 114 W HN 0.591 8.771 8.180 -0.000 0.000 0.541 115 E N -0.291 119.628 120.200 -0.468 0.000 2.153 115 E HA -0.278 4.073 4.350 0.001 0.000 0.194 115 E C 1.621 177.947 176.600 -0.457 0.000 0.988 115 E CA 1.451 57.476 56.400 -0.625 0.000 0.811 115 E CB -1.300 27.799 29.700 -1.002 0.000 0.746 115 E HN 0.385 8.745 8.360 -0.000 0.000 0.466 116 H N 1.029 119.966 119.070 -0.222 0.000 2.389 116 H HA 0.024 4.581 4.556 0.001 0.000 0.299 116 H C 2.011 177.245 175.328 -0.157 0.000 1.081 116 H CA 1.943 57.913 56.048 -0.131 0.000 1.345 116 H CB -0.332 29.386 29.762 -0.074 0.000 1.393 116 H HN 0.259 8.539 8.280 -0.000 0.000 0.520 117 T N 1.649 116.117 114.554 -0.145 0.000 2.737 117 T HA -0.110 4.241 4.350 0.001 0.000 0.265 117 T C 2.260 176.743 174.700 -0.362 0.000 1.038 117 T CA 0.905 62.852 62.100 -0.254 0.000 1.144 117 T CB -0.049 68.611 68.868 -0.347 0.000 0.866 117 T HN 0.125 8.365 8.240 -0.000 0.000 0.434 118 M N 1.479 120.701 119.600 -0.630 0.000 2.082 118 M HA -0.055 4.426 4.480 0.001 0.000 0.258 118 M C 2.813 179.107 176.300 -0.009 0.000 1.069 118 M CA 1.663 56.748 55.300 -0.358 0.000 1.102 118 M CB -1.563 30.744 32.600 -0.488 0.000 1.336 118 M HN 0.331 8.621 8.290 -0.000 0.000 0.404 119 A N -0.576 122.228 122.820 -0.027 0.000 1.972 119 A HA -0.170 4.151 4.320 0.001 0.000 0.219 119 A C 2.417 180.091 177.584 0.150 0.000 1.169 119 A CA 1.618 53.702 52.037 0.078 0.000 0.635 119 A CB -0.624 18.425 19.000 0.081 0.000 0.810 119 A HN 0.472 8.622 8.150 -0.000 0.000 0.446 120 R N -1.223 119.364 120.500 0.145 0.000 2.080 120 R HA -0.043 4.298 4.340 0.001 0.000 0.222 120 R C 1.370 177.939 176.300 0.449 0.000 1.107 120 R CA 1.762 58.008 56.100 0.244 0.000 0.980 120 R CB -0.171 30.207 30.300 0.129 0.000 0.879 120 R HN 0.553 8.823 8.270 -0.000 0.000 0.439 121 C N -1.390 118.103 119.300 0.321 0.000 3.230 121 C HA 0.227 4.688 4.460 0.001 0.000 0.300 121 C C 1.516 176.869 174.990 0.604 0.000 1.292 121 C CA -0.684 58.567 59.018 0.389 0.000 1.707 121 C CB -0.483 27.276 27.740 0.032 0.000 2.181 121 C HN 0.566 8.796 8.230 -0.000 0.000 0.655 122 Y N 1.906 122.381 120.300 0.291 0.000 2.576 122 Y HA 0.057 4.608 4.550 0.001 0.000 0.282 122 Y C 2.472 178.469 175.900 0.161 0.000 1.139 122 Y CA 1.496 59.733 58.100 0.228 0.000 1.265 122 Y CB -0.353 38.171 38.460 0.106 0.000 1.376 122 Y HN 0.151 8.431 8.280 -0.000 0.000 0.511 123 S N 0.462 116.232 115.700 0.118 0.000 2.402 123 S HA -0.008 4.463 4.470 0.001 0.000 0.229 123 S C -0.993 173.495 174.600 -0.187 0.000 1.021 123 S CA 0.788 58.957 58.200 -0.052 0.000 0.974 123 S CB -1.577 61.677 63.200 0.090 0.000 0.800 123 S HN 0.370 8.680 8.310 -0.000 0.000 0.484 124 P HA 0.181 4.601 4.420 -0.000 0.000 0.242 124 P C 1.073 177.960 177.300 -0.688 0.000 1.197 124 P CA 0.331 63.153 63.100 -0.463 0.000 0.765 124 P CB -0.249 30.891 31.700 -0.934 0.000 0.936 125 L N 0.017 120.910 121.223 -0.550 0.000 2.263 125 L HA -0.201 4.140 4.340 0.001 0.000 0.216 125 L C 2.654 179.007 176.870 -0.861 0.000 1.111 125 L CA 1.317 55.709 54.840 -0.746 0.000 0.773 125 L CB -0.675 40.858 42.059 -0.877 0.000 0.906 125 L HN 0.107 8.337 8.230 -0.000 0.000 0.439 126 R N -0.783 119.365 120.500 -0.586 0.000 2.127 126 R HA -0.223 4.118 4.340 0.001 0.000 0.238 126 R C 1.971 177.901 176.300 -0.617 0.000 1.134 126 R CA 1.713 57.536 56.100 -0.461 0.000 0.975 126 R CB -0.840 29.199 30.300 -0.435 0.000 0.865 126 R HN 0.231 8.501 8.270 -0.000 0.000 0.447 127 Y N 0.909 120.763 120.300 -0.744 0.000 2.163 127 Y HA -0.131 4.420 4.550 0.002 0.000 0.288 127 Y C 2.284 177.644 175.900 -0.900 0.000 1.136 127 Y CA 1.149 58.632 58.100 -1.030 0.000 1.147 127 Y CB -0.456 36.758 38.460 -2.077 0.000 0.987 127 Y HN 0.047 8.327 8.280 -0.000 0.000 0.509 128 L N -0.502 120.232 121.223 -0.815 0.000 2.012 128 L HA -0.212 4.129 4.340 0.001 0.000 0.210 128 L C 2.012 178.855 176.870 -0.045 0.000 1.073 128 L CA 1.822 56.453 54.840 -0.347 0.000 0.748 128 L CB -1.037 40.888 42.059 -0.223 0.000 0.891 128 L HN 0.234 8.464 8.230 -0.000 0.000 0.431 129 F N -1.661 118.269 119.950 -0.032 0.000 2.234 129 F HA -0.224 4.304 4.527 0.002 0.000 0.299 129 F C 2.508 178.322 175.800 0.024 0.000 1.087 129 F CA 0.879 58.929 58.000 0.083 0.000 1.340 129 F CB -0.380 38.733 39.000 0.188 0.000 1.031 129 F HN 0.308 8.608 8.300 -0.000 0.000 0.500 130 H N -0.402 118.685 119.070 0.028 0.000 2.423 130 H HA -0.123 4.434 4.556 0.001 0.000 0.297 130 H C 2.079 177.408 175.328 0.001 0.000 1.075 130 H CA 1.285 57.318 56.048 -0.026 0.000 1.342 130 H CB -0.427 29.258 29.762 -0.128 0.000 1.395 130 H HN 0.211 8.491 8.280 -0.000 0.000 0.530 131 C N 0.012 119.307 119.300 -0.010 0.000 2.429 131 C HA -0.106 4.355 4.460 0.001 0.000 0.277 131 C C 2.868 177.842 174.990 -0.027 0.000 1.262 131 C CA 0.893 59.906 59.018 -0.010 0.000 1.733 131 C CB -1.113 26.698 27.740 0.118 0.000 2.010 131 C HN 0.563 8.793 8.230 -0.000 0.000 0.483 132 L N 0.370 121.615 121.223 0.037 0.000 2.042 132 L HA -0.263 4.078 4.340 0.001 0.000 0.210 132 L C 2.751 179.578 176.870 -0.071 0.000 1.076 132 L CA 1.810 56.661 54.840 0.019 0.000 0.749 132 L CB -0.963 41.162 42.059 0.109 0.000 0.893 132 L HN 0.508 8.738 8.230 -0.000 0.000 0.432 133 Q N 0.258 119.992 119.800 -0.111 0.000 1.993 133 Q HA -0.251 4.090 4.340 0.001 0.000 0.202 133 Q C 2.378 178.272 176.000 -0.176 0.000 0.984 133 Q CA 1.881 57.586 55.803 -0.163 0.000 0.837 133 Q CB -0.079 28.558 28.738 -0.169 0.000 0.902 133 Q HN 0.441 8.711 8.270 -0.000 0.000 0.423 134 M N -0.310 119.127 119.600 -0.271 0.000 2.108 134 M HA -0.195 4.286 4.480 0.001 0.000 0.261 134 M C 2.511 178.788 176.300 -0.039 0.000 1.066 134 M CA 1.687 56.884 55.300 -0.171 0.000 1.107 134 M CB -0.312 32.173 32.600 -0.193 0.000 1.356 134 M HN 0.184 8.475 8.290 -0.000 0.000 0.406 135 S N -0.320 115.357 115.700 -0.040 0.000 2.368 135 S HA -0.107 4.364 4.470 0.001 0.000 0.224 135 S C 1.950 176.586 174.600 0.060 0.000 1.029 135 S CA 1.637 59.847 58.200 0.017 0.000 0.988 135 S CB -0.125 63.056 63.200 -0.032 0.000 0.838 135 S HN 0.446 8.756 8.310 -0.000 0.000 0.462 136 S N 1.658 117.361 115.700 0.005 0.000 2.383 136 S HA -0.046 4.424 4.470 0.001 0.000 0.229 136 S C 2.183 176.797 174.600 0.023 0.000 1.030 136 S CA 1.112 59.321 58.200 0.016 0.000 1.002 136 S CB -0.669 62.497 63.200 -0.057 0.000 0.829 136 S HN 0.696 9.006 8.310 -0.000 0.000 0.467 137 A N 0.227 123.053 122.820 0.009 0.000 1.972 137 A HA -0.097 4.224 4.320 0.001 0.000 0.219 137 A C 1.909 179.526 177.584 0.056 0.000 1.169 137 A CA 1.315 53.359 52.037 0.011 0.000 0.635 137 A CB -0.792 18.206 19.000 -0.002 0.000 0.810 137 A HN 0.609 8.759 8.150 -0.000 0.000 0.446 138 Y N 0.419 120.721 120.300 0.003 0.000 2.184 138 Y HA -0.155 4.396 4.550 0.002 0.000 0.290 138 Y C 2.335 178.276 175.900 0.067 0.000 1.129 138 Y CA 1.908 60.034 58.100 0.042 0.000 1.144 138 Y CB -0.079 38.420 38.460 0.066 0.000 0.995 138 Y HN 0.082 8.362 8.280 -0.000 0.000 0.513 139 V N 1.243 121.192 119.914 0.057 0.000 2.392 139 V HA -0.348 3.773 4.120 0.001 0.000 0.249 139 V C 2.466 178.527 176.094 -0.055 0.000 1.059 139 V CA 2.141 64.468 62.300 0.045 0.000 1.051 139 V CB -0.961 31.003 31.823 0.234 0.000 0.658 139 V HN 0.500 8.690 8.190 -0.000 0.000 0.455 140 Q N 1.334 121.103 119.800 -0.052 0.000 2.062 140 Q HA -0.306 4.034 4.340 0.001 0.000 0.209 140 Q C 2.325 178.266 176.000 -0.098 0.000 0.996 140 Q CA 2.822 58.578 55.803 -0.079 0.000 0.859 140 Q CB -0.346 28.353 28.738 -0.064 0.000 0.920 140 Q HN 0.906 9.176 8.270 -0.000 0.000 0.415 141 Q N -1.796 117.923 119.800 -0.135 0.000 2.311 141 Q HA -0.045 4.296 4.340 0.001 0.000 0.203 141 Q C 1.566 177.483 176.000 -0.139 0.000 0.954 141 Q CA 0.788 56.534 55.803 -0.094 0.000 0.885 141 Q CB 0.020 28.722 28.738 -0.059 0.000 0.963 141 Q HN 0.290 8.560 8.270 -0.000 0.000 0.471 142 M N 0.568 119.974 119.600 -0.324 0.000 2.492 142 M HA 0.324 4.805 4.480 0.001 0.000 0.255 142 M C 0.740 176.810 176.300 -0.383 0.000 1.139 142 M CA -0.080 54.999 55.300 -0.368 0.000 1.096 142 M CB -0.172 32.160 32.600 -0.447 0.000 1.360 142 M HN 0.177 8.467 8.290 -0.000 0.000 0.480 143 A N 2.998 125.582 122.820 -0.393 0.000 2.498 143 A HA 0.247 4.567 4.320 0.001 0.000 0.239 143 A C -1.490 175.623 177.584 -0.785 0.000 1.068 143 A CA -0.610 50.952 52.037 -0.792 0.000 0.766 143 A CB -0.452 18.218 19.000 -0.551 0.000 1.003 143 A HN 0.204 8.354 8.150 -0.000 0.000 0.497 144 P HA 0.285 4.705 4.420 -0.000 0.000 0.256 144 P C -0.229 176.938 177.300 -0.221 0.000 1.384 144 P CA 0.877 63.589 63.100 -0.647 0.000 0.879 144 P CB 0.092 31.307 31.700 -0.808 0.000 1.403 145 A N -0.128 122.579 122.820 -0.187 0.000 2.520 145 A HA 0.472 4.792 4.320 0.001 0.000 0.298 145 A C 1.150 178.531 177.584 -0.340 0.000 1.051 145 A CA -0.203 51.758 52.037 -0.128 0.000 0.690 145 A CB 0.911 19.896 19.000 -0.025 0.000 1.281 145 A HN -0.039 8.111 8.150 -0.000 0.000 0.402 146 S N 0.709 116.030 115.700 -0.632 0.000 2.402 146 S HA -0.177 4.294 4.470 0.001 0.000 0.229 146 S C 1.676 176.088 174.600 -0.313 0.000 1.021 146 S CA 2.162 59.934 58.200 -0.714 0.000 0.974 146 S CB -0.983 61.822 63.200 -0.659 0.000 0.800 146 S HN 1.425 9.735 8.310 -0.000 0.000 0.484 147 T N 1.111 115.574 114.554 -0.151 0.000 2.867 147 T HA 0.109 4.460 4.350 0.001 0.000 0.268 147 T C 1.795 176.580 174.700 0.141 0.000 1.057 147 T CA 1.014 63.133 62.100 0.033 0.000 1.136 147 T CB -0.791 68.173 68.868 0.159 0.000 0.874 147 T HN 0.461 8.701 8.240 -0.000 0.000 0.466 148 I N 1.494 122.066 120.570 0.003 0.000 2.202 148 I HA -0.133 4.038 4.170 0.001 0.000 0.242 148 I C 2.944 178.845 176.117 -0.361 0.000 1.091 148 I CA 1.155 62.271 61.300 -0.305 0.000 1.368 148 I CB -0.559 37.156 38.000 -0.475 0.000 1.058 148 I HN 0.228 8.438 8.210 -0.000 0.000 0.410 149 S N 0.672 116.222 115.700 -0.249 0.000 2.383 149 S HA -0.178 4.293 4.470 0.001 0.000 0.229 149 S C 1.700 176.171 174.600 -0.216 0.000 1.030 149 S CA 1.512 59.600 58.200 -0.186 0.000 1.002 149 S CB -0.626 62.552 63.200 -0.038 0.000 0.829 149 S HN 0.472 8.782 8.310 -0.000 0.000 0.467 150 N N 0.300 118.874 118.700 -0.209 0.000 2.120 150 N HA -0.119 4.622 4.740 0.001 0.000 0.188 150 N C 1.790 177.146 175.510 -0.258 0.000 1.024 150 N CA 1.401 54.343 53.050 -0.180 0.000 0.852 150 N CB -0.279 38.138 38.487 -0.117 0.000 1.003 150 N HN 0.363 8.743 8.380 -0.000 0.000 0.424 151 C N 0.524 119.577 119.300 -0.411 0.000 2.413 151 C HA -0.135 4.326 4.460 0.001 0.000 0.276 151 C C 3.038 177.626 174.990 -0.670 0.000 1.248 151 C CA 0.287 58.846 59.018 -0.764 0.000 1.742 151 C CB -1.076 25.642 27.740 -1.703 0.000 2.017 151 C HN 0.618 8.848 8.230 -0.000 0.000 0.481 152 C N 0.473 119.450 119.300 -0.539 0.000 2.440 152 C HA -0.067 4.394 4.460 0.001 0.000 0.278 152 C C 2.439 177.327 174.990 -0.169 0.000 1.295 152 C CA 0.730 59.621 59.018 -0.212 0.000 1.738 152 C CB -1.371 26.305 27.740 -0.107 0.000 1.987 152 C HN 0.581 8.810 8.230 -0.000 0.000 0.492 153 I N 1.010 121.467 120.570 -0.188 0.000 2.163 153 I HA -0.241 3.930 4.170 0.001 0.000 0.243 153 I C 2.375 178.361 176.117 -0.219 0.000 1.085 153 I CA 1.702 62.903 61.300 -0.165 0.000 1.347 153 I CB -0.455 37.458 38.000 -0.144 0.000 1.044 153 I HN 0.308 8.518 8.210 -0.000 0.000 0.408 154 L N -0.051 121.006 121.223 -0.277 0.000 2.141 154 L HA -0.220 4.121 4.340 0.001 0.000 0.209 154 L C 2.626 179.386 176.870 -0.183 0.000 1.094 154 L CA 1.182 55.786 54.840 -0.394 0.000 0.763 154 L CB -0.613 41.235 42.059 -0.351 0.000 0.908 154 L HN 0.385 8.615 8.230 -0.000 0.000 0.437 155 Q N -0.135 119.579 119.800 -0.145 0.000 2.119 155 Q HA -0.162 4.179 4.340 0.001 0.000 0.201 155 Q C 2.021 177.859 176.000 -0.271 0.000 0.972 155 Q CA 1.878 57.533 55.803 -0.246 0.000 0.847 155 Q CB 0.096 28.689 28.738 -0.242 0.000 0.903 155 Q HN 0.432 8.702 8.270 -0.000 0.000 0.433 156 T N 0.589 115.029 114.554 -0.191 0.000 2.708 156 T HA -0.136 4.214 4.350 0.001 0.000 0.266 156 T C 1.810 176.412 174.700 -0.163 0.000 1.037 156 T CA 1.284 63.286 62.100 -0.163 0.000 1.146 156 T CB -0.402 68.397 68.868 -0.115 0.000 0.865 156 T HN 0.459 8.699 8.240 -0.000 0.000 0.435 157 A N 2.111 124.839 122.820 -0.152 0.000 1.902 157 A HA -0.166 4.155 4.320 0.001 0.000 0.217 157 A C 2.119 179.650 177.584 -0.088 0.000 1.181 157 A CA 1.769 53.749 52.037 -0.095 0.000 0.623 157 A CB -0.721 18.212 19.000 -0.112 0.000 0.818 157 A HN 0.346 8.496 8.150 -0.000 0.000 0.443 158 D N 0.050 120.389 120.400 -0.101 0.000 2.123 158 D HA -0.096 4.545 4.640 0.001 0.000 0.196 158 D C 2.285 178.155 176.300 -0.716 0.000 0.992 158 D CA 1.559 55.402 54.000 -0.263 0.000 0.833 158 D CB -0.416 40.330 40.800 -0.089 0.000 0.954 158 D HN 0.390 8.760 8.370 -0.000 0.000 0.455 159 S N 0.515 115.837 115.700 -0.630 0.000 2.370 159 S HA -0.160 4.310 4.470 0.001 0.000 0.226 159 S C 1.840 176.293 174.600 -0.245 0.000 1.033 159 S CA 0.530 58.390 58.200 -0.567 0.000 1.011 159 S CB -0.297 62.717 63.200 -0.310 0.000 0.852 159 S HN 0.181 8.491 8.310 -0.000 0.000 0.457 160 L N 2.241 123.376 121.223 -0.148 0.000 2.093 160 L HA 0.021 4.362 4.340 0.001 0.000 0.208 160 L C 2.294 179.130 176.870 -0.056 0.000 1.085 160 L CA 1.634 56.452 54.840 -0.037 0.000 0.755 160 L CB -0.670 41.378 42.059 -0.018 0.000 0.904 160 L HN 0.178 8.408 8.230 -0.000 0.000 0.435 161 R N -1.338 119.082 120.500 -0.135 0.000 2.091 161 R HA -0.223 4.117 4.340 0.001 0.000 0.238 161 R C 2.065 178.233 176.300 -0.220 0.000 1.136 161 R CA 2.154 58.147 56.100 -0.178 0.000 0.959 161 R CB -0.465 29.753 30.300 -0.137 0.000 0.856 161 R HN 0.463 8.733 8.270 -0.000 0.000 0.437 162 W N 0.864 122.006 121.300 -0.263 0.000 2.418 162 W HA -0.064 4.597 4.660 0.002 0.000 0.292 162 W C 2.091 178.622 176.519 0.020 0.000 1.213 162 W CA 0.010 57.214 57.345 -0.235 0.000 1.283 162 W CB -1.148 27.952 29.460 -0.601 0.000 1.119 162 W HN 0.170 8.350 8.180 -0.000 0.000 0.542 163 L N 0.400 121.811 121.223 0.313 0.000 2.013 163 L HA -0.269 4.072 4.340 0.001 0.000 0.212 163 L C 2.127 179.120 176.870 0.205 0.000 1.073 163 L CA 2.196 57.225 54.840 0.315 0.000 0.753 163 L CB -0.710 41.463 42.059 0.190 0.000 0.890 163 L HN -0.072 8.158 8.230 -0.000 0.000 0.432 164 T N -1.716 112.916 114.554 0.130 0.000 2.777 164 T HA -0.159 4.191 4.350 0.001 0.000 0.266 164 T C 1.720 176.599 174.700 0.298 0.000 1.040 164 T CA 1.070 63.257 62.100 0.145 0.000 1.141 164 T CB -0.419 68.493 68.868 0.075 0.000 0.868 164 T HN 0.432 8.672 8.240 -0.000 0.000 0.444 165 H N 1.498 120.761 119.070 0.322 0.000 2.325 165 H HA -0.089 4.468 4.556 0.001 0.000 0.293 165 H C 2.570 178.137 175.328 0.398 0.000 1.106 165 H CA 1.869 58.170 56.048 0.421 0.000 1.247 165 H CB -1.094 28.927 29.762 0.433 0.000 1.359 165 H HN 0.327 8.607 8.280 -0.000 0.000 0.488 166 T N 0.775 115.612 114.554 0.472 0.000 2.777 166 T HA -0.016 4.335 4.350 0.001 0.000 0.266 166 T C 2.336 177.161 174.700 0.209 0.000 1.040 166 T CA 1.204 63.474 62.100 0.284 0.000 1.141 166 T CB -0.426 68.500 68.868 0.098 0.000 0.868 166 T HN 0.484 8.724 8.240 -0.000 0.000 0.444 167 A N 0.658 123.583 122.820 0.175 0.000 1.883 167 A HA -0.130 4.191 4.320 0.001 0.000 0.217 167 A C 2.091 179.775 177.584 0.166 0.000 1.186 167 A CA 1.642 53.748 52.037 0.116 0.000 0.624 167 A CB -1.109 17.931 19.000 0.067 0.000 0.822 167 A HN 0.589 8.739 8.150 -0.000 0.000 0.444 168 Y N 0.186 120.560 120.300 0.123 0.000 2.145 168 Y HA -0.210 4.341 4.550 0.002 0.000 0.286 168 Y C 2.563 178.468 175.900 0.010 0.000 1.145 168 Y CA 2.127 60.276 58.100 0.082 0.000 1.148 168 Y CB -0.054 38.467 38.460 0.102 0.000 0.981 168 Y HN 0.140 8.420 8.280 -0.000 0.000 0.507 169 R N -0.486 120.116 120.500 0.169 0.000 2.115 169 R HA -0.073 4.268 4.340 0.001 0.000 0.226 169 R C 2.129 178.479 176.300 0.084 0.000 1.100 169 R CA 1.461 57.591 56.100 0.049 0.000 0.980 169 R CB -1.126 29.257 30.300 0.139 0.000 0.875 169 R HN 0.364 8.634 8.270 -0.000 0.000 0.445 170 T N 0.022 114.678 114.554 0.170 0.000 2.674 170 T HA -0.184 4.167 4.350 0.001 0.000 0.265 170 T C 1.687 176.403 174.700 0.027 0.000 1.039 170 T CA 1.933 64.110 62.100 0.128 0.000 1.150 170 T CB -0.417 68.517 68.868 0.109 0.000 0.864 170 T HN 0.428 8.668 8.240 -0.000 0.000 0.427 171 H N 1.101 120.126 119.070 -0.075 0.000 2.321 171 H HA -0.036 4.520 4.556 0.001 0.000 0.300 171 H C 2.331 177.559 175.328 -0.166 0.000 1.087 171 H CA 2.237 58.207 56.048 -0.130 0.000 1.319 171 H CB -0.223 29.428 29.762 -0.186 0.000 1.379 171 H HN 0.498 8.778 8.280 -0.000 0.000 0.501 172 E N -0.526 119.438 120.200 -0.394 0.000 2.051 172 E HA -0.169 4.182 4.350 0.001 0.000 0.192 172 E C 2.210 178.672 176.600 -0.231 0.000 0.991 172 E CA 1.076 57.244 56.400 -0.387 0.000 0.799 172 E CB -0.234 29.269 29.700 -0.329 0.000 0.748 172 E HN 0.409 8.769 8.360 -0.000 0.000 0.449 173 L N 1.214 122.374 121.223 -0.105 0.000 2.043 173 L HA -0.214 4.127 4.340 0.001 0.000 0.212 173 L C 2.478 179.348 176.870 0.000 0.000 1.075 173 L CA 2.390 57.242 54.840 0.019 0.000 0.752 173 L CB -0.816 41.284 42.059 0.069 0.000 0.891 173 L HN 0.301 8.531 8.230 -0.000 0.000 0.432 174 S N -1.612 114.032 115.700 -0.093 0.000 2.469 174 S HA -0.156 4.314 4.470 0.001 0.000 0.238 174 S C 1.946 176.456 174.600 -0.150 0.000 0.998 174 S CA 1.210 59.357 58.200 -0.089 0.000 0.957 174 S CB -0.716 62.419 63.200 -0.109 0.000 0.764 174 S HN 0.522 8.832 8.310 -0.000 0.000 0.514 175 L N 0.769 121.850 121.223 -0.237 0.000 2.095 175 L HA -0.011 4.330 4.340 0.001 0.000 0.204 175 L C 2.844 179.585 176.870 -0.216 0.000 1.080 175 L CA 1.461 56.166 54.840 -0.223 0.000 0.759 175 L CB -1.054 40.857 42.059 -0.248 0.000 0.914 175 L HN 0.352 8.582 8.230 -0.000 0.000 0.439 176 T N -1.854 112.530 114.554 -0.283 0.000 2.942 176 T HA -0.074 4.277 4.350 0.001 0.000 0.265 176 T C 0.064 174.309 174.700 -0.759 0.000 1.062 176 T CA 0.950 62.731 62.100 -0.531 0.000 1.139 176 T CB -0.117 68.343 68.868 -0.680 0.000 0.883 176 T HN 0.143 8.383 8.240 -0.000 0.000 0.468 177 Y N 1.575 121.831 120.300 -0.074 0.000 2.837 177 Y HA 0.303 4.854 4.550 0.001 0.000 0.356 177 Y C -1.946 173.912 175.900 -0.070 0.000 1.035 177 Y CA -2.451 55.603 58.100 -0.077 0.000 1.165 177 Y CB 1.321 39.716 38.460 -0.108 0.000 1.147 177 Y HN 0.062 8.342 8.280 -0.000 0.000 0.628 178 P HA 0.020 4.440 4.420 -0.000 0.000 0.249 178 P C -0.145 177.179 177.300 0.040 0.000 1.229 178 P CA 0.791 63.897 63.100 0.010 0.000 0.788 178 P CB 0.603 32.292 31.700 -0.018 0.000 1.072 179 D N -0.202 120.245 120.400 0.078 0.000 2.696 179 D HA 0.283 4.923 4.640 0.001 0.000 0.269 179 D C 0.907 177.299 176.300 0.153 0.000 1.319 179 D CA -0.146 53.915 54.000 0.101 0.000 0.826 179 D CB 0.741 41.603 40.800 0.102 0.000 1.086 179 D HN 0.104 8.474 8.370 -0.000 0.000 0.481 180 A N -0.364 122.531 122.820 0.125 0.000 2.431 180 A HA 0.504 4.825 4.320 0.001 0.000 0.239 180 A C 1.577 179.264 177.584 0.172 0.000 1.230 180 A CA 0.411 52.550 52.037 0.169 0.000 0.928 180 A CB 0.300 19.289 19.000 -0.018 0.000 1.006 180 A HN 0.189 8.339 8.150 -0.000 0.000 0.520 181 G N -0.174 108.698 108.800 0.119 0.000 2.160 181 G HA2 -0.228 3.733 3.960 0.001 0.000 0.251 181 G HA3 -0.228 3.733 3.960 0.001 0.000 0.251 181 G C 0.081 174.982 174.900 0.001 0.000 1.008 181 G CA 0.322 45.453 45.100 0.051 0.000 0.724 181 G HN 0.482 8.772 8.290 -0.000 0.000 0.514 182 L N -0.109 121.126 121.223 0.019 0.000 2.477 182 L HA 0.424 4.765 4.340 0.001 0.000 0.272 182 L C 1.781 178.646 176.870 -0.008 0.000 1.157 182 L CA 1.334 56.186 54.840 0.020 0.000 0.889 182 L CB 0.568 42.643 42.059 0.026 0.000 1.158 182 L HN 0.997 9.227 8.230 -0.000 0.000 0.473 183 G N 2.163 110.963 108.800 -0.001 0.000 2.176 183 G HA2 -0.252 3.708 3.960 0.001 0.000 0.253 183 G HA3 -0.252 3.708 3.960 0.001 0.000 0.253 183 G C 0.680 175.550 174.900 -0.050 0.000 0.979 183 G CA 0.457 45.552 45.100 -0.009 0.000 0.641 183 G HN 0.710 9.000 8.290 -0.000 0.000 0.530 184 E N -1.468 118.659 120.200 -0.121 0.000 2.367 184 E HA 0.176 4.526 4.350 0.001 0.000 0.204 184 E C 1.243 177.722 176.600 -0.200 0.000 0.840 184 E CA 0.139 56.384 56.400 -0.258 0.000 1.051 184 E CB 0.253 29.630 29.700 -0.538 0.000 1.051 184 E HN 0.476 8.836 8.360 -0.000 0.000 0.509 185 H N 0.224 119.318 119.070 0.040 0.000 2.784 185 H HA 0.236 4.793 4.556 0.001 0.000 0.273 185 H C 0.839 176.183 175.328 0.026 0.000 1.112 185 H CA 0.130 56.198 56.048 0.034 0.000 1.162 185 H CB 0.794 30.579 29.762 0.039 0.000 1.586 185 H HN 0.068 8.348 8.280 -0.000 0.000 0.548 186 E N 1.077 121.353 120.200 0.127 0.000 2.077 186 E HA -0.124 4.227 4.350 0.001 0.000 0.193 186 E C 2.298 178.899 176.600 0.002 0.000 0.989 186 E CA 0.796 57.244 56.400 0.081 0.000 0.800 186 E CB 0.195 29.965 29.700 0.116 0.000 0.746 186 E HN 0.284 8.644 8.360 -0.000 0.000 0.452 187 R N 0.812 121.322 120.500 0.016 0.000 2.081 187 R HA -0.222 4.119 4.340 0.001 0.000 0.235 187 R C 2.163 178.389 176.300 -0.124 0.000 1.131 187 R CA 1.796 57.751 56.100 -0.242 0.000 0.960 187 R CB -0.096 30.167 30.300 -0.061 0.000 0.856 187 R HN 0.118 8.388 8.270 -0.000 0.000 0.436 188 E N 0.553 120.744 120.200 -0.015 0.000 2.085 188 E HA -0.180 4.171 4.350 0.001 0.000 0.194 188 E C 1.993 178.586 176.600 -0.012 0.000 0.994 188 E CA 1.403 57.798 56.400 -0.009 0.000 0.801 188 E CB -0.204 29.500 29.700 0.007 0.000 0.743 188 E HN 0.420 8.780 8.360 -0.000 0.000 0.453 189 L N -0.091 121.134 121.223 0.003 0.000 1.994 189 L HA -0.162 4.179 4.340 0.001 0.000 0.208 189 L C 2.511 179.385 176.870 0.005 0.000 1.071 189 L CA 1.600 56.465 54.840 0.043 0.000 0.745 189 L CB -0.728 41.361 42.059 0.050 0.000 0.892 189 L HN 0.468 8.698 8.230 -0.000 0.000 0.431 190 W N 1.497 122.537 121.300 -0.433 0.000 2.342 190 W HA -0.222 4.439 4.660 0.002 0.000 0.297 190 W C 2.001 178.401 176.519 -0.199 0.000 1.213 190 W CA 1.819 58.893 57.345 -0.452 0.000 1.251 190 W CB 0.060 29.062 29.460 -0.762 0.000 1.136 190 W HN 0.280 8.460 8.180 -0.000 0.000 0.526 191 E N -0.374 119.737 120.200 -0.148 0.000 2.170 191 E HA -0.117 4.234 4.350 0.001 0.000 0.191 191 E C 1.960 178.488 176.600 -0.121 0.000 0.981 191 E CA 0.913 57.201 56.400 -0.188 0.000 0.830 191 E CB 0.060 29.698 29.700 -0.104 0.000 0.775 191 E HN 0.272 8.632 8.360 -0.000 0.000 0.470 192 K N 0.305 120.675 120.400 -0.051 0.000 2.474 192 K HA 0.086 4.407 4.320 0.001 0.000 0.202 192 K C 0.327 176.936 176.600 0.015 0.000 1.248 192 K CA -0.107 56.164 56.287 -0.027 0.000 0.946 192 K CB 0.684 33.170 32.500 -0.024 0.000 1.102 192 K HN -0.124 8.126 8.250 -0.000 0.000 0.541 193 E N 2.955 123.205 120.200 0.084 0.000 2.366 193 E HA 0.010 4.361 4.350 0.001 0.000 0.266 193 E C -2.086 174.571 176.600 0.094 0.000 1.015 193 E CA -1.762 54.716 56.400 0.129 0.000 0.906 193 E CB 1.153 31.022 29.700 0.282 0.000 0.979 193 E HN -0.153 8.207 8.360 -0.000 0.000 0.443 194 P HA -0.097 4.323 4.420 -0.000 0.000 0.218 194 P C 1.000 178.278 177.300 -0.038 0.000 1.148 194 P CA 1.596 64.689 63.100 -0.012 0.000 0.822 194 P CB 0.180 31.861 31.700 -0.030 0.000 0.784 195 G N -2.027 106.720 108.800 -0.089 0.000 2.470 195 G HA2 -0.213 3.747 3.960 0.001 0.000 0.220 195 G HA3 -0.213 3.747 3.960 0.001 0.000 0.220 195 G C 0.913 175.656 174.900 -0.262 0.000 1.121 195 G CA 0.305 45.268 45.100 -0.229 0.000 0.766 195 G HN 0.316 8.606 8.290 -0.000 0.000 0.553 196 W N -0.379 120.944 121.300 0.039 0.000 2.996 196 W HA 0.241 4.902 4.660 0.001 0.000 0.270 196 W C 2.454 178.872 176.519 -0.168 0.000 1.280 196 W CA -0.241 57.122 57.345 0.030 0.000 1.549 196 W CB 0.446 29.952 29.460 0.077 0.000 1.079 196 W HN 0.038 8.218 8.180 -0.000 0.000 0.629 197 Q N 0.012 119.822 119.800 0.017 0.000 2.167 197 Q HA -0.036 4.305 4.340 0.001 0.000 0.202 197 Q C 2.321 178.263 176.000 -0.096 0.000 0.970 197 Q CA 1.624 57.365 55.803 -0.102 0.000 0.855 197 Q CB -1.229 27.462 28.738 -0.078 0.000 0.911 197 Q HN 0.400 8.670 8.270 -0.000 0.000 0.438 198 G N 0.721 109.496 108.800 -0.042 0.000 2.433 198 G HA2 -0.210 3.751 3.960 0.001 0.000 0.216 198 G HA3 -0.210 3.751 3.960 0.001 0.000 0.216 198 G C 1.537 176.435 174.900 -0.004 0.000 1.186 198 G CA 0.625 45.712 45.100 -0.021 0.000 0.779 198 G HN 0.305 8.595 8.290 -0.000 0.000 0.543 199 L N -0.188 121.054 121.223 0.032 0.000 2.042 199 L HA -0.049 4.292 4.340 0.001 0.000 0.210 199 L C 2.926 179.794 176.870 -0.002 0.000 1.076 199 L CA 1.537 56.439 54.840 0.103 0.000 0.749 199 L CB -0.332 41.900 42.059 0.288 0.000 0.893 199 L HN 0.177 8.407 8.230 -0.000 0.000 0.432 200 R N 0.082 120.386 120.500 -0.326 0.000 2.092 200 R HA -0.200 4.141 4.340 0.001 0.000 0.231 200 R C 2.266 178.434 176.300 -0.221 0.000 1.119 200 R CA 1.554 57.269 56.100 -0.642 0.000 0.970 200 R CB -0.108 29.454 30.300 -1.230 0.000 0.864 200 R HN 0.383 8.653 8.270 -0.000 0.000 0.440 201 E N 0.307 120.418 120.200 -0.148 0.000 2.051 201 E HA -0.229 4.122 4.350 0.001 0.000 0.192 201 E C 1.980 178.593 176.600 0.022 0.000 0.991 201 E CA 1.248 57.612 56.400 -0.060 0.000 0.799 201 E CB -0.103 29.564 29.700 -0.055 0.000 0.748 201 E HN 0.273 8.633 8.360 -0.000 0.000 0.449 202 L N 0.674 121.930 121.223 0.055 0.000 1.990 202 L HA -0.239 4.102 4.340 0.001 0.000 0.213 202 L C 2.271 179.231 176.870 0.150 0.000 1.072 202 L CA 1.969 56.895 54.840 0.143 0.000 0.755 202 L CB -0.429 41.710 42.059 0.133 0.000 0.889 202 L HN 0.243 8.473 8.230 -0.000 0.000 0.432 203 M N -0.867 118.811 119.600 0.129 0.000 2.200 203 M HA -0.110 4.371 4.480 0.001 0.000 0.265 203 M C 2.191 178.544 176.300 0.089 0.000 1.066 203 M CA 1.311 56.686 55.300 0.125 0.000 1.127 203 M CB -1.206 31.539 32.600 0.241 0.000 1.379 203 M HN 0.379 8.669 8.290 -0.000 0.000 0.420 204 E N 0.353 120.606 120.200 0.089 0.000 2.077 204 E HA -0.188 4.163 4.350 0.001 0.000 0.193 204 E C 2.054 178.672 176.600 0.030 0.000 0.989 204 E CA 1.152 57.585 56.400 0.056 0.000 0.800 204 E CB -0.044 29.676 29.700 0.033 0.000 0.746 204 E HN 0.499 8.859 8.360 -0.000 0.000 0.452 205 K N 0.505 120.950 120.400 0.075 0.000 2.097 205 K HA -0.136 4.185 4.320 0.001 0.000 0.205 205 K C 2.317 179.030 176.600 0.189 0.000 1.050 205 K CA 0.795 57.163 56.287 0.135 0.000 0.938 205 K CB -0.005 32.600 32.500 0.176 0.000 0.718 205 K HN 0.008 8.258 8.250 -0.000 0.000 0.442 206 Q N 1.237 121.083 119.800 0.075 0.000 2.124 206 Q HA -0.105 4.236 4.340 0.001 0.000 0.202 206 Q C 1.907 177.718 176.000 -0.315 0.000 0.977 206 Q CA 1.356 56.953 55.803 -0.343 0.000 0.850 206 Q CB -0.062 28.411 28.738 -0.442 0.000 0.901 206 Q HN 0.353 8.623 8.270 -0.000 0.000 0.429 207 L N 0.745 121.850 121.223 -0.197 0.000 2.456 207 L HA -0.098 4.243 4.340 0.001 0.000 0.224 207 L C 1.698 178.314 176.870 -0.424 0.000 1.148 207 L CA 1.459 56.163 54.840 -0.227 0.000 0.825 207 L CB -0.165 41.842 42.059 -0.087 0.000 0.937 207 L HN 0.260 8.490 8.230 -0.000 0.000 0.450 208 T N -4.058 110.193 114.554 -0.505 0.000 3.174 208 T HA 0.409 4.759 4.350 0.001 0.000 0.269 208 T C 0.511 174.480 174.700 -1.219 0.000 1.017 208 T CA -0.101 61.414 62.100 -0.976 0.000 0.899 208 T CB 0.282 68.894 68.868 -0.427 0.000 1.077 208 T HN 0.117 8.357 8.240 -0.000 0.000 0.552 209 A N 0.878 123.203 122.820 -0.825 0.000 2.391 209 A HA 0.688 5.009 4.320 0.001 0.000 0.316 209 A C 0.304 177.520 177.584 -0.613 0.000 1.381 209 A CA -0.739 50.956 52.037 -0.570 0.000 0.998 209 A CB -0.534 18.261 19.000 -0.341 0.000 1.147 209 A HN 0.537 8.687 8.150 -0.000 0.000 0.545 210 F N 0.697 120.433 119.950 -0.356 0.000 2.698 210 F HA 0.038 4.566 4.527 0.001 0.000 0.295 210 F C 1.329 177.002 175.800 -0.211 0.000 1.124 210 F CA -0.287 57.397 58.000 -0.527 0.000 1.426 210 F CB 0.396 38.567 39.000 -1.381 0.000 1.120 210 F HN 0.526 8.826 8.300 -0.000 0.000 0.583 211 D N 1.758 122.203 120.400 0.074 0.000 2.493 211 D HA -0.158 4.483 4.640 0.001 0.000 0.240 211 D C 1.094 177.420 176.300 0.043 0.000 1.142 211 D CA 0.105 54.205 54.000 0.165 0.000 0.872 211 D CB 0.617 41.462 40.800 0.074 0.000 1.173 211 D HN 0.456 8.826 8.370 -0.000 0.000 0.467 212 W N 4.481 125.798 121.300 0.027 0.000 2.363 212 W HA -0.077 4.584 4.660 0.002 0.000 0.296 212 W C 1.177 177.650 176.519 -0.077 0.000 1.212 212 W CA 0.925 58.234 57.345 -0.058 0.000 1.260 212 W CB -1.115 28.252 29.460 -0.154 0.000 1.131 212 W HN 0.448 8.628 8.180 -0.000 0.000 0.530 213 G N 1.141 109.185 108.800 -1.260 0.000 2.404 213 G HA2 -0.338 3.623 3.960 0.001 0.000 0.215 213 G HA3 -0.338 3.623 3.960 0.001 0.000 0.215 213 G C 1.565 175.842 174.900 -1.038 0.000 1.174 213 G CA 1.197 45.524 45.100 -1.289 0.000 0.780 213 G HN 0.488 8.778 8.290 -0.000 0.000 0.537 214 E N 0.350 119.630 120.200 -1.534 0.000 2.106 214 E HA 0.029 4.380 4.350 0.001 0.000 0.192 214 E C 2.749 178.844 176.600 -0.843 0.000 0.984 214 E CA 0.800 56.177 56.400 -1.705 0.000 0.806 214 E CB -0.171 28.591 29.700 -1.563 0.000 0.750 214 E HN 0.333 8.693 8.360 -0.000 0.000 0.458 215 A N 0.946 123.463 122.820 -0.504 0.000 1.858 215 A HA -0.196 4.124 4.320 0.001 0.000 0.216 215 A C 2.010 179.461 177.584 -0.222 0.000 1.190 215 A CA 1.476 53.350 52.037 -0.272 0.000 0.617 215 A CB -1.004 18.046 19.000 0.083 0.000 0.827 215 A HN 0.533 8.683 8.150 -0.000 0.000 0.443 216 F N 0.868 120.662 119.950 -0.259 0.000 2.095 216 F HA -0.159 4.369 4.527 0.001 0.000 0.298 216 F C 2.130 177.794 175.800 -0.225 0.000 1.104 216 F CA 2.085 59.993 58.000 -0.155 0.000 1.232 216 F CB -0.497 38.450 39.000 -0.089 0.000 0.987 216 F HN 0.018 8.318 8.300 -0.000 0.000 0.475 217 V N 0.670 120.260 119.914 -0.540 0.000 2.307 217 V HA -0.280 3.841 4.120 0.001 0.000 0.245 217 V C 2.704 178.487 176.094 -0.519 0.000 1.045 217 V CA 2.064 64.034 62.300 -0.550 0.000 1.024 217 V CB -1.096 30.675 31.823 -0.087 0.000 0.651 217 V HN 0.606 8.796 8.190 -0.000 0.000 0.449 218 S N 0.195 115.530 115.700 -0.608 0.000 2.368 218 S HA -0.156 4.315 4.470 0.001 0.000 0.224 218 S C 1.937 176.211 174.600 -0.544 0.000 1.029 218 S CA 1.512 59.261 58.200 -0.751 0.000 0.988 218 S CB -0.549 61.690 63.200 -1.600 0.000 0.838 218 S HN 0.376 8.686 8.310 -0.000 0.000 0.462 219 L N 2.291 123.223 121.223 -0.485 0.000 1.988 219 L HA 0.127 4.468 4.340 0.001 0.000 0.207 219 L C 1.777 178.477 176.870 -0.283 0.000 1.071 219 L CA 2.003 56.656 54.840 -0.312 0.000 0.744 219 L CB -1.100 40.839 42.059 -0.200 0.000 0.893 219 L HN 0.180 8.410 8.230 -0.000 0.000 0.433 220 N N -1.388 117.048 118.700 -0.440 0.000 2.395 220 N HA 0.082 4.823 4.740 0.001 0.000 0.175 220 N C 1.528 176.799 175.510 -0.398 0.000 1.029 220 N CA 0.970 53.755 53.050 -0.443 0.000 0.897 220 N CB 0.060 38.139 38.487 -0.680 0.000 0.991 220 N HN 0.320 8.700 8.380 -0.000 0.000 0.441 221 L N -1.047 119.908 121.223 -0.447 0.000 2.513 221 L HA 0.231 4.572 4.340 0.001 0.000 0.222 221 L C 1.111 177.898 176.870 -0.139 0.000 1.096 221 L CA 0.188 54.867 54.840 -0.267 0.000 0.857 221 L CB 0.322 42.228 42.059 -0.255 0.000 1.026 221 L HN -0.030 8.200 8.230 -0.000 0.000 0.469 222 V N -1.832 117.996 119.914 -0.144 0.000 2.840 222 V HA 0.030 4.151 4.120 0.001 0.000 0.234 222 V C 2.084 178.161 176.094 -0.028 0.000 1.159 222 V CA 0.417 62.688 62.300 -0.049 0.000 1.194 222 V CB 0.661 32.486 31.823 0.004 0.000 0.971 222 V HN -0.013 8.177 8.190 -0.000 0.000 0.494 223 V N 0.424 120.300 119.914 -0.064 0.000 2.244 223 V HA -0.226 3.894 4.120 0.001 0.000 0.244 223 V C 2.420 178.528 176.094 0.024 0.000 1.042 223 V CA 2.226 64.516 62.300 -0.016 0.000 1.006 223 V CB -0.667 31.130 31.823 -0.043 0.000 0.641 223 V HN 0.471 8.661 8.190 -0.000 0.000 0.446 224 K N -0.279 120.133 120.400 0.019 0.000 2.097 224 K HA -0.110 4.211 4.320 0.001 0.000 0.205 224 K C -0.179 176.494 176.600 0.120 0.000 1.050 224 K CA 1.561 57.915 56.287 0.111 0.000 0.938 224 K CB -1.095 31.488 32.500 0.139 0.000 0.718 224 K HN 0.432 8.682 8.250 -0.000 0.000 0.442 225 P HA -0.165 4.255 4.420 -0.000 0.000 0.220 225 P C 1.257 178.599 177.300 0.069 0.000 1.148 225 P CA 0.964 64.106 63.100 0.069 0.000 0.803 225 P CB 0.079 31.798 31.700 0.032 0.000 0.782 226 M N -0.927 118.704 119.600 0.051 0.000 2.254 226 M HA -0.089 4.391 4.480 0.001 0.000 0.265 226 M C 1.741 178.057 176.300 0.026 0.000 1.066 226 M CA 1.760 57.084 55.300 0.041 0.000 1.123 226 M CB -0.978 31.643 32.600 0.036 0.000 1.388 226 M HN -0.080 8.210 8.290 -0.000 0.000 0.425 227 I N -0.319 120.266 120.570 0.026 0.000 2.315 227 I HA -0.258 3.912 4.170 0.001 0.000 0.248 227 I C 2.299 178.393 176.117 -0.037 0.000 1.117 227 I CA 0.781 62.043 61.300 -0.063 0.000 1.404 227 I CB -0.437 37.543 38.000 -0.033 0.000 1.071 227 I HN 0.064 8.274 8.210 -0.000 0.000 0.419 228 V N 1.666 121.670 119.914 0.151 0.000 2.270 228 V HA -0.265 3.855 4.120 0.001 0.000 0.245 228 V C 2.460 178.668 176.094 0.190 0.000 1.043 228 V CA 2.402 64.880 62.300 0.297 0.000 1.014 228 V CB -0.752 31.217 31.823 0.243 0.000 0.645 228 V HN 0.597 8.787 8.190 -0.000 0.000 0.447 229 E N -0.717 119.553 120.200 0.116 0.000 2.230 229 E HA -0.075 4.275 4.350 0.001 0.000 0.192 229 E C 1.928 178.582 176.600 0.089 0.000 0.987 229 E CA 1.333 57.790 56.400 0.096 0.000 0.841 229 E CB -0.115 29.628 29.700 0.072 0.000 0.783 229 E HN 0.456 8.816 8.360 -0.000 0.000 0.481 230 S N -0.324 115.414 115.700 0.065 0.000 2.512 230 S HA 0.306 4.777 4.470 0.001 0.000 0.216 230 S C 1.544 176.181 174.600 0.062 0.000 1.006 230 S CA -0.238 58.002 58.200 0.067 0.000 0.915 230 S CB 0.343 63.569 63.200 0.044 0.000 0.824 230 S HN 0.242 8.552 8.310 -0.000 0.000 0.497 231 I N -0.941 119.613 120.570 -0.028 0.000 3.518 231 I HA 0.156 4.327 4.170 0.001 0.000 0.260 231 I C 1.341 177.507 176.117 0.083 0.000 1.148 231 I CA 0.385 61.610 61.300 -0.125 0.000 1.440 231 I CB -0.322 37.387 38.000 -0.484 0.000 1.485 231 I HN 0.186 8.396 8.210 -0.000 0.000 0.456 232 F N 2.103 122.097 119.950 0.073 0.000 2.051 232 F HA -0.215 4.313 4.527 0.001 0.000 0.296 232 F C 2.579 178.433 175.800 0.090 0.000 1.122 232 F CA 1.528 59.571 58.000 0.072 0.000 1.201 232 F CB -0.103 38.894 39.000 -0.004 0.000 0.978 232 F HN -0.085 8.215 8.300 -0.000 0.000 0.472 233 K N -0.565 120.003 120.400 0.280 0.000 2.103 233 K HA -0.094 4.227 4.320 0.001 0.000 0.204 233 K C -0.824 175.882 176.600 0.176 0.000 1.052 233 K CA 1.162 57.558 56.287 0.181 0.000 0.945 233 K CB -1.203 31.373 32.500 0.126 0.000 0.722 233 K HN 0.169 8.419 8.250 -0.000 0.000 0.443 234 P HA -0.122 4.298 4.420 -0.000 0.000 0.218 234 P C 1.086 178.531 177.300 0.241 0.000 1.149 234 P CA 0.988 64.203 63.100 0.192 0.000 0.817 234 P CB 0.138 31.955 31.700 0.195 0.000 0.785 235 L N -0.865 120.536 121.223 0.298 0.000 2.083 235 L HA -0.225 4.116 4.340 0.001 0.000 0.209 235 L C 2.539 179.602 176.870 0.322 0.000 1.083 235 L CA 1.589 56.642 54.840 0.356 0.000 0.752 235 L CB -0.698 41.610 42.059 0.415 0.000 0.899 235 L HN 0.044 8.274 8.230 -0.000 0.000 0.433 236 Q N -0.833 119.118 119.800 0.253 0.000 2.084 236 Q HA -0.290 4.051 4.340 0.001 0.000 0.202 236 Q C 2.150 178.264 176.000 0.191 0.000 0.978 236 Q CA 1.661 57.581 55.803 0.195 0.000 0.844 236 Q CB -0.095 28.721 28.738 0.129 0.000 0.898 236 Q HN 0.370 8.640 8.270 -0.000 0.000 0.426 237 Q N 0.504 120.411 119.800 0.178 0.000 2.084 237 Q HA -0.200 4.141 4.340 0.001 0.000 0.202 237 Q C 1.990 178.126 176.000 0.225 0.000 0.978 237 Q CA 1.496 57.410 55.803 0.186 0.000 0.844 237 Q CB 0.033 28.854 28.738 0.139 0.000 0.898 237 Q HN 0.232 8.502 8.270 -0.000 0.000 0.426 238 Q N -0.335 119.598 119.800 0.223 0.000 2.079 238 Q HA -0.054 4.287 4.340 0.001 0.000 0.200 238 Q C 2.072 178.058 176.000 -0.025 0.000 0.974 238 Q CA 1.519 57.450 55.803 0.213 0.000 0.840 238 Q CB -0.616 28.356 28.738 0.391 0.000 0.898 238 Q HN 0.529 8.799 8.270 -0.000 0.000 0.430 239 A N -0.047 122.787 122.820 0.024 0.000 1.940 239 A HA -0.202 4.119 4.320 0.001 0.000 0.219 239 A C 1.859 179.315 177.584 -0.214 0.000 1.176 239 A CA 1.450 53.317 52.037 -0.284 0.000 0.631 239 A CB -1.075 17.961 19.000 0.060 0.000 0.814 239 A HN 0.555 8.705 8.150 -0.000 0.000 0.446 240 W N 1.151 122.365 121.300 -0.144 0.000 2.363 240 W HA -0.118 4.543 4.660 0.001 0.000 0.296 240 W C 1.743 178.179 176.519 -0.139 0.000 1.212 240 W CA 1.728 59.011 57.345 -0.103 0.000 1.260 240 W CB 0.008 29.445 29.460 -0.039 0.000 1.131 240 W HN 0.496 8.676 8.180 -0.000 0.000 0.530 241 E N -0.962 119.157 120.200 -0.135 0.000 2.478 241 E HA -0.038 4.313 4.350 0.001 0.000 0.194 241 E C 0.536 176.928 176.600 -0.346 0.000 1.045 241 E CA 0.498 56.734 56.400 -0.272 0.000 0.868 241 E CB -0.219 29.457 29.700 -0.040 0.000 0.885 241 E HN 0.375 8.735 8.360 -0.000 0.000 0.505 242 N N 0.998 119.412 118.700 -0.477 0.000 2.282 242 N HA 0.030 4.771 4.740 0.001 0.000 0.240 242 N C -0.418 174.733 175.510 -0.597 0.000 1.182 242 N CA -0.130 52.577 53.050 -0.572 0.000 0.874 242 N CB 0.514 38.457 38.487 -0.906 0.000 1.126 242 N HN -0.038 8.342 8.380 -0.000 0.000 0.516 243 N N 1.233 119.649 118.700 -0.473 0.000 2.725 243 N HA -0.230 4.510 4.740 0.001 0.000 0.249 243 N C -1.471 173.871 175.510 -0.281 0.000 1.103 243 N CA 0.545 53.392 53.050 -0.338 0.000 0.707 243 N CB -0.915 37.408 38.487 -0.273 0.000 1.043 243 N HN 0.313 8.693 8.380 -0.000 0.000 0.553 244 D N -0.468 119.738 120.400 -0.324 0.000 2.443 244 D HA 0.290 4.930 4.640 0.001 0.000 0.221 244 D C 1.161 177.556 176.300 0.159 0.000 1.097 244 D CA 0.280 54.260 54.000 -0.033 0.000 0.865 244 D CB 0.407 41.070 40.800 -0.228 0.000 1.034 244 D HN 0.351 8.721 8.370 -0.000 0.000 0.511 245 T N 0.870 115.661 114.554 0.395 0.000 3.060 245 T HA -0.028 4.323 4.350 0.001 0.000 0.249 245 T C 1.694 176.467 174.700 0.122 0.000 1.079 245 T CA -0.168 62.103 62.100 0.286 0.000 1.013 245 T CB 0.177 69.265 68.868 0.367 0.000 0.975 245 T HN 0.247 8.487 8.240 -0.000 0.000 0.518 246 L N 0.782 121.929 121.223 -0.127 0.000 2.068 246 L HA 0.338 4.679 4.340 0.001 0.000 0.204 246 L C 2.149 178.865 176.870 -0.258 0.000 1.076 246 L CA 1.194 55.680 54.840 -0.590 0.000 0.753 246 L CB -1.039 40.505 42.059 -0.857 0.000 0.910 246 L HN 0.235 8.465 8.230 -0.000 0.000 0.439 247 L N 0.528 121.711 121.223 -0.067 0.000 2.043 247 L HA -0.128 4.213 4.340 0.001 0.000 0.212 247 L C -0.573 176.319 176.870 0.036 0.000 1.075 247 L CA 2.215 57.070 54.840 0.025 0.000 0.752 247 L CB -1.830 40.309 42.059 0.134 0.000 0.891 247 L HN 0.196 8.426 8.230 -0.000 0.000 0.432 248 P HA -0.152 4.268 4.420 -0.000 0.000 0.216 248 P C 2.118 179.410 177.300 -0.014 0.000 1.150 248 P CA 1.476 64.603 63.100 0.045 0.000 0.837 248 P CB -0.020 31.727 31.700 0.079 0.000 0.786 249 L N -1.671 119.516 121.223 -0.061 0.000 2.056 249 L HA -0.144 4.197 4.340 0.001 0.000 0.207 249 L C 2.374 179.164 176.870 -0.132 0.000 1.078 249 L CA 0.924 55.710 54.840 -0.090 0.000 0.749 249 L CB -0.990 40.968 42.059 -0.169 0.000 0.901 249 L HN -0.006 8.224 8.230 -0.000 0.000 0.433 250 L N 0.092 121.213 121.223 -0.170 0.000 2.027 250 L HA -0.160 4.181 4.340 0.001 0.000 0.206 250 L C 2.291 179.071 176.870 -0.151 0.000 1.074 250 L CA 1.733 56.462 54.840 -0.185 0.000 0.745 250 L CB -0.331 41.679 42.059 -0.083 0.000 0.898 250 L HN 0.083 8.313 8.230 -0.000 0.000 0.433 251 I N -0.332 120.181 120.570 -0.095 0.000 2.394 251 I HA -0.245 3.925 4.170 0.001 0.000 0.251 251 I C 1.872 177.820 176.117 -0.282 0.000 1.136 251 I CA 1.049 62.230 61.300 -0.198 0.000 1.425 251 I CB -0.504 37.468 38.000 -0.047 0.000 1.079 251 I HN 0.296 8.506 8.210 -0.000 0.000 0.425 252 D N 0.086 120.396 120.400 -0.151 0.000 2.144 252 D HA -0.170 4.471 4.640 0.001 0.000 0.199 252 D C 2.305 178.530 176.300 -0.125 0.000 0.984 252 D CA 1.224 55.147 54.000 -0.128 0.000 0.834 252 D CB -0.082 40.685 40.800 -0.055 0.000 0.955 252 D HN 0.130 8.500 8.370 -0.000 0.000 0.465 253 S N 0.065 115.712 115.700 -0.088 0.000 2.368 253 S HA -0.180 4.290 4.470 0.001 0.000 0.225 253 S C 1.836 176.390 174.600 -0.077 0.000 1.030 253 S CA 1.203 59.379 58.200 -0.039 0.000 0.999 253 S CB -0.039 63.170 63.200 0.015 0.000 0.844 253 S HN 0.255 8.565 8.310 -0.000 0.000 0.459 254 Q N 0.238 119.902 119.800 -0.226 0.000 2.170 254 Q HA 0.001 4.342 4.340 0.001 0.000 0.203 254 Q C 2.183 177.901 176.000 -0.470 0.000 0.976 254 Q CA 1.225 56.776 55.803 -0.420 0.000 0.858 254 Q CB -0.257 27.837 28.738 -1.074 0.000 0.907 254 Q HN 0.504 8.774 8.270 -0.000 0.000 0.433 255 L N 0.491 121.409 121.223 -0.509 0.000 2.141 255 L HA -0.175 4.166 4.340 0.001 0.000 0.209 255 L C 2.106 178.889 176.870 -0.144 0.000 1.094 255 L CA 1.032 55.654 54.840 -0.364 0.000 0.763 255 L CB -0.222 41.656 42.059 -0.301 0.000 0.908 255 L HN 0.172 8.402 8.230 -0.000 0.000 0.437 256 K N 0.015 120.354 120.400 -0.102 0.000 2.032 256 K HA -0.195 4.125 4.320 0.001 0.000 0.209 256 K C 1.694 178.276 176.600 -0.029 0.000 1.048 256 K CA 1.715 57.973 56.287 -0.048 0.000 0.927 256 K CB -0.262 32.216 32.500 -0.038 0.000 0.712 256 K HN 0.246 8.496 8.250 -0.000 0.000 0.441 257 D N 0.833 121.252 120.400 0.032 0.000 2.106 257 D HA -0.191 4.450 4.640 0.001 0.000 0.191 257 D C 1.915 178.014 176.300 -0.335 0.000 0.997 257 D CA 1.674 55.669 54.000 -0.009 0.000 0.834 257 D CB -0.374 40.644 40.800 0.364 0.000 0.956 257 D HN 0.259 8.629 8.370 -0.000 0.000 0.448 258 A N 1.024 123.856 122.820 0.020 0.000 1.933 258 A HA -0.172 4.149 4.320 0.001 0.000 0.218 258 A C 2.031 179.616 177.584 0.000 0.000 1.175 258 A CA 1.308 53.401 52.037 0.094 0.000 0.628 258 A CB -0.253 18.912 19.000 0.275 0.000 0.814 258 A HN 0.015 8.165 8.150 -0.000 0.000 0.444 259 E N -0.584 119.605 120.200 -0.018 0.000 2.285 259 E HA -0.098 4.253 4.350 0.001 0.000 0.194 259 E C 2.048 178.665 176.600 0.029 0.000 0.997 259 E CA 0.604 57.013 56.400 0.014 0.000 0.845 259 E CB -0.265 29.439 29.700 0.006 0.000 0.782 259 E HN 0.704 9.064 8.360 -0.000 0.000 0.491 260 R N 0.079 120.577 120.500 -0.004 0.000 2.075 260 R HA -0.110 4.231 4.340 0.001 0.000 0.232 260 R C 2.022 178.487 176.300 0.275 0.000 1.126 260 R CA 1.411 57.576 56.100 0.108 0.000 0.963 260 R CB -0.161 30.200 30.300 0.102 0.000 0.858 260 R HN 0.349 8.619 8.270 -0.000 0.000 0.435 261 H N -1.051 118.180 119.070 0.268 0.000 2.352 261 H HA -0.111 4.446 4.556 0.001 0.000 0.299 261 H C 2.327 177.553 175.328 -0.170 0.000 1.097 261 H CA 1.278 57.421 56.048 0.158 0.000 1.311 261 H CB -0.075 29.791 29.762 0.174 0.000 1.377 261 H HN 0.238 8.518 8.280 -0.000 0.000 0.504 262 S N 0.671 116.412 115.700 0.069 0.000 2.399 262 S HA -0.158 4.313 4.470 0.001 0.000 0.231 262 S C 2.118 176.716 174.600 -0.003 0.000 1.022 262 S CA 0.961 59.152 58.200 -0.016 0.000 0.983 262 S CB -0.023 63.197 63.200 0.034 0.000 0.803 262 S HN 0.315 8.625 8.310 -0.000 0.000 0.480 263 R N 0.284 120.836 120.500 0.086 0.000 2.066 263 R HA -0.050 4.291 4.340 0.001 0.000 0.232 263 R C 2.489 178.936 176.300 0.245 0.000 1.131 263 R CA 1.711 57.901 56.100 0.150 0.000 0.955 263 R CB -0.545 29.855 30.300 0.167 0.000 0.851 263 R HN 0.815 9.085 8.270 -0.000 0.000 0.432 264 W N 0.468 121.924 121.300 0.260 0.000 2.418 264 W HA 0.009 4.671 4.660 0.003 0.000 0.292 264 W C 1.369 178.125 176.519 0.395 0.000 1.213 264 W CA 0.472 58.034 57.345 0.363 0.000 1.283 264 W CB -0.854 28.838 29.460 0.386 0.000 1.119 264 W HN -0.086 8.094 8.180 -0.000 0.000 0.542 265 S N 1.713 117.146 115.700 -0.445 0.000 2.365 265 S HA -0.207 4.264 4.470 0.001 0.000 0.225 265 S C 1.897 176.582 174.600 0.142 0.000 1.039 265 S CA 1.949 59.962 58.200 -0.311 0.000 1.033 265 S CB -0.335 62.600 63.200 -0.442 0.000 0.887 265 S HN 0.164 8.474 8.310 -0.000 0.000 0.447 266 K N 1.498 121.969 120.400 0.118 0.000 2.097 266 K HA 0.129 4.450 4.320 0.001 0.000 0.205 266 K C 2.307 179.064 176.600 0.262 0.000 1.050 266 K CA 1.111 57.502 56.287 0.173 0.000 0.938 266 K CB -0.697 31.879 32.500 0.127 0.000 0.718 266 K HN 0.370 8.620 8.250 -0.000 0.000 0.442 267 A N 1.327 124.350 122.820 0.337 0.000 1.969 267 A HA -0.132 4.188 4.320 0.001 0.000 0.218 267 A C 2.158 180.097 177.584 0.592 0.000 1.169 267 A CA 1.044 53.345 52.037 0.439 0.000 0.635 267 A CB -0.410 18.872 19.000 0.470 0.000 0.810 267 A HN 0.198 8.348 8.150 -0.000 0.000 0.445 268 L N -0.151 121.397 121.223 0.543 0.000 2.072 268 L HA -0.061 4.280 4.340 0.001 0.000 0.205 268 L C 2.379 179.461 176.870 0.353 0.000 1.079 268 L CA 1.676 56.685 54.840 0.281 0.000 0.752 268 L CB -0.602 41.347 42.059 -0.184 0.000 0.906 268 L HN 0.145 8.375 8.230 -0.000 0.000 0.436 269 V N 0.189 120.321 119.914 0.364 0.000 2.282 269 V HA -0.385 3.736 4.120 0.001 0.000 0.249 269 V C 2.677 178.958 176.094 0.311 0.000 1.057 269 V CA 2.307 64.814 62.300 0.345 0.000 1.032 269 V CB -0.792 31.204 31.823 0.289 0.000 0.645 269 V HN 0.542 8.732 8.190 -0.000 0.000 0.447 270 K N -0.756 119.823 120.400 0.299 0.000 2.063 270 K HA -0.295 4.026 4.320 0.001 0.000 0.208 270 K C 2.228 179.000 176.600 0.286 0.000 1.048 270 K CA 2.214 58.658 56.287 0.261 0.000 0.928 270 K CB -0.269 32.373 32.500 0.237 0.000 0.713 270 K HN 0.655 8.905 8.250 -0.000 0.000 0.442 271 H N -0.166 119.061 119.070 0.262 0.000 2.321 271 H HA -0.012 4.545 4.556 0.002 0.000 0.300 271 H C 1.667 177.112 175.328 0.194 0.000 1.087 271 H CA 2.084 58.264 56.048 0.220 0.000 1.319 271 H CB -0.237 29.695 29.762 0.284 0.000 1.379 271 H HN 0.317 8.597 8.280 -0.000 0.000 0.501 272 A N 0.434 123.422 122.820 0.281 0.000 1.972 272 A HA -0.089 4.232 4.320 0.001 0.000 0.219 272 A C 2.272 179.977 177.584 0.202 0.000 1.169 272 A CA 1.417 53.618 52.037 0.275 0.000 0.635 272 A CB -0.758 18.538 19.000 0.494 0.000 0.810 272 A HN 0.493 8.643 8.150 -0.000 0.000 0.446 273 L N -0.610 120.726 121.223 0.187 0.000 2.610 273 L HA -0.052 4.289 4.340 0.001 0.000 0.232 273 L C 1.986 178.899 176.870 0.072 0.000 1.149 273 L CA 0.332 55.257 54.840 0.141 0.000 0.872 273 L CB -0.419 41.735 42.059 0.159 0.000 0.992 273 L HN 0.475 8.705 8.230 -0.000 0.000 0.447 274 E N 0.212 120.441 120.200 0.049 0.000 2.160 274 E HA -0.183 4.168 4.350 0.001 0.000 0.195 274 E C 0.823 177.368 176.600 -0.093 0.000 0.991 274 E CA 0.607 56.996 56.400 -0.019 0.000 0.810 274 E CB -0.016 29.672 29.700 -0.020 0.000 0.742 274 E HN 0.286 8.646 8.360 -0.000 0.000 0.466 275 N N 0.670 119.301 118.700 -0.116 0.000 2.406 275 N HA 0.034 4.774 4.740 0.001 0.000 0.251 275 N C -2.148 173.348 175.510 -0.024 0.000 1.069 275 N CA -2.074 50.904 53.050 -0.120 0.000 0.947 275 N CB 1.221 39.600 38.487 -0.180 0.000 1.111 275 N HN -0.258 8.122 8.380 -0.000 0.000 0.497 276 P HA -0.096 4.324 4.420 -0.000 0.000 0.218 276 P C 0.305 177.625 177.300 0.033 0.000 1.148 276 P CA 1.071 64.176 63.100 0.007 0.000 0.822 276 P CB 0.338 32.030 31.700 -0.013 0.000 0.784 277 D N -1.216 119.192 120.400 0.012 0.000 2.263 277 D HA -0.114 4.527 4.640 0.001 0.000 0.208 277 D C 1.436 177.751 176.300 0.025 0.000 0.971 277 D CA 0.798 54.806 54.000 0.013 0.000 0.867 277 D CB -0.687 40.111 40.800 -0.003 0.000 0.929 277 D HN 0.164 8.534 8.370 -0.000 0.000 0.492 278 N N 0.073 118.807 118.700 0.056 0.000 2.459 278 N HA -0.122 4.618 4.740 0.001 0.000 0.181 278 N C 1.541 177.090 175.510 0.064 0.000 1.046 278 N CA 0.396 53.487 53.050 0.069 0.000 0.904 278 N CB -0.201 38.373 38.487 0.146 0.000 0.964 278 N HN 0.394 8.774 8.380 -0.000 0.000 0.444 279 H N 1.125 120.201 119.070 0.011 0.000 2.267 279 H HA 0.009 4.565 4.556 0.001 0.000 0.297 279 H C 1.862 177.174 175.328 -0.026 0.000 1.080 279 H CA 2.320 58.374 56.048 0.010 0.000 1.278 279 H CB -0.233 29.536 29.762 0.012 0.000 1.365 279 H HN 0.171 8.451 8.280 -0.000 0.000 0.489 280 A N -0.106 122.671 122.820 -0.072 0.000 1.933 280 A HA -0.123 4.198 4.320 0.001 0.000 0.218 280 A C 2.709 180.149 177.584 -0.240 0.000 1.175 280 A CA 1.695 53.642 52.037 -0.150 0.000 0.628 280 A CB -0.907 18.050 19.000 -0.072 0.000 0.814 280 A HN 0.343 8.493 8.150 -0.000 0.000 0.444 281 V N 0.160 119.917 119.914 -0.261 0.000 2.295 281 V HA -0.268 3.853 4.120 0.001 0.000 0.246 281 V C 2.414 178.184 176.094 -0.540 0.000 1.049 281 V CA 2.089 64.085 62.300 -0.505 0.000 1.024 281 V CB -0.650 30.889 31.823 -0.474 0.000 0.648 281 V HN 0.580 8.770 8.190 -0.000 0.000 0.447 282 I N -0.042 120.390 120.570 -0.229 0.000 2.252 282 I HA -0.215 3.956 4.170 0.001 0.000 0.245 282 I C 2.649 178.747 176.117 -0.032 0.000 1.102 282 I CA 1.850 63.144 61.300 -0.010 0.000 1.385 282 I CB -0.386 37.659 38.000 0.075 0.000 1.064 282 I HN 0.439 8.649 8.210 -0.000 0.000 0.414 283 E N 1.442 121.540 120.200 -0.170 0.000 2.106 283 E HA -0.180 4.170 4.350 0.001 0.000 0.192 283 E C 2.251 178.802 176.600 -0.082 0.000 0.984 283 E CA 1.356 57.663 56.400 -0.155 0.000 0.806 283 E CB -0.207 29.303 29.700 -0.316 0.000 0.750 283 E HN 0.472 8.832 8.360 -0.000 0.000 0.458 284 G N 0.947 109.660 108.800 -0.144 0.000 2.446 284 G HA2 -0.259 3.702 3.960 0.001 0.000 0.217 284 G HA3 -0.259 3.702 3.960 0.001 0.000 0.217 284 G C 1.145 176.073 174.900 0.046 0.000 1.168 284 G CA 0.826 45.857 45.100 -0.114 0.000 0.771 284 G HN 0.329 8.619 8.290 -0.000 0.000 0.551 285 W N 0.768 122.092 121.300 0.041 0.000 2.388 285 W HA 0.136 4.797 4.660 0.001 0.000 0.294 285 W C 2.567 179.189 176.519 0.171 0.000 1.212 285 W CA 0.079 57.505 57.345 0.135 0.000 1.271 285 W CB -0.891 28.634 29.460 0.108 0.000 1.126 285 W HN 0.193 8.373 8.180 -0.000 0.000 0.535 286 I N 0.232 120.972 120.570 0.284 0.000 2.226 286 I HA -0.262 3.909 4.170 0.001 0.000 0.245 286 I C 2.315 178.525 176.117 0.154 0.000 1.100 286 I CA 1.282 62.694 61.300 0.187 0.000 1.374 286 I CB -0.457 37.597 38.000 0.091 0.000 1.057 286 I HN -0.176 8.034 8.210 -0.000 0.000 0.413 287 E N 0.861 121.121 120.200 0.100 0.000 2.204 287 E HA -0.230 4.121 4.350 0.001 0.000 0.194 287 E C 1.998 178.616 176.600 0.031 0.000 0.989 287 E CA 0.948 57.379 56.400 0.051 0.000 0.824 287 E CB -0.182 29.527 29.700 0.015 0.000 0.756 287 E HN 0.466 8.826 8.360 -0.000 0.000 0.477 288 K N -0.573 119.858 120.400 0.052 0.000 2.057 288 K HA -0.140 4.181 4.320 0.001 0.000 0.206 288 K C 1.695 178.140 176.600 -0.259 0.000 1.050 288 K CA 1.208 57.429 56.287 -0.110 0.000 0.935 288 K CB -0.134 32.314 32.500 -0.088 0.000 0.715 288 K HN 0.063 8.313 8.250 -0.000 0.000 0.439 289 W N 0.767 122.077 121.300 0.016 0.000 2.812 289 W HA 0.212 4.873 4.660 0.002 0.000 0.263 289 W C 2.146 178.657 176.519 -0.014 0.000 1.284 289 W CA -0.266 57.070 57.345 -0.014 0.000 1.430 289 W CB 0.256 29.694 29.460 -0.037 0.000 1.088 289 W HN -0.023 8.157 8.180 -0.000 0.000 0.623 290 R N 0.294 120.889 120.500 0.158 0.000 2.091 290 R HA -0.172 4.169 4.340 0.001 0.000 0.238 290 R C -0.628 175.706 176.300 0.056 0.000 1.136 290 R CA 1.712 57.871 56.100 0.099 0.000 0.959 290 R CB -1.863 28.477 30.300 0.066 0.000 0.856 290 R HN 0.133 8.403 8.270 -0.000 0.000 0.437 291 P HA -0.106 4.314 4.420 -0.000 0.000 0.217 291 P C 1.326 178.629 177.300 0.004 0.000 1.150 291 P CA 1.052 64.150 63.100 -0.003 0.000 0.832 291 P CB -0.057 31.622 31.700 -0.035 0.000 0.787 292 L N -0.730 120.497 121.223 0.006 0.000 1.989 292 L HA -0.230 4.111 4.340 0.001 0.000 0.211 292 L C 2.522 179.433 176.870 0.069 0.000 1.071 292 L CA 1.863 56.723 54.840 0.034 0.000 0.749 292 L CB -1.290 40.809 42.059 0.067 0.000 0.890 292 L HN -0.042 8.188 8.230 -0.000 0.000 0.431 293 A N -0.128 122.754 122.820 0.104 0.000 1.883 293 A HA -0.272 4.049 4.320 0.001 0.000 0.217 293 A C 1.936 179.554 177.584 0.056 0.000 1.186 293 A CA 2.227 54.316 52.037 0.088 0.000 0.624 293 A CB -0.660 18.398 19.000 0.097 0.000 0.822 293 A HN 0.412 8.562 8.150 -0.000 0.000 0.444 294 D N -0.771 119.657 120.400 0.046 0.000 2.117 294 D HA -0.128 4.513 4.640 0.001 0.000 0.197 294 D C 2.157 178.472 176.300 0.025 0.000 0.987 294 D CA 1.181 55.201 54.000 0.033 0.000 0.829 294 D CB -0.369 40.446 40.800 0.025 0.000 0.961 294 D HN 0.436 8.806 8.370 -0.000 0.000 0.460 295 R N 0.488 120.999 120.500 0.018 0.000 2.091 295 R HA -0.085 4.256 4.340 0.001 0.000 0.238 295 R C 2.293 178.601 176.300 0.014 0.000 1.136 295 R CA 1.305 57.410 56.100 0.008 0.000 0.959 295 R CB -0.237 30.061 30.300 -0.003 0.000 0.856 295 R HN 0.112 8.382 8.270 -0.000 0.000 0.437 296 A N 0.984 123.819 122.820 0.026 0.000 1.865 296 A HA -0.199 4.121 4.320 0.001 0.000 0.217 296 A C 2.355 179.965 177.584 0.042 0.000 1.191 296 A CA 1.941 53.998 52.037 0.033 0.000 0.623 296 A CB -0.909 18.121 19.000 0.050 0.000 0.826 296 A HN 0.451 8.601 8.150 -0.000 0.000 0.444 297 A N -0.415 122.430 122.820 0.042 0.000 1.865 297 A HA -0.234 4.087 4.320 0.001 0.000 0.217 297 A C 1.942 179.567 177.584 0.068 0.000 1.191 297 A CA 2.004 54.075 52.037 0.058 0.000 0.623 297 A CB -0.685 18.343 19.000 0.046 0.000 0.826 297 A HN 0.638 8.788 8.150 -0.000 0.000 0.444 298 E N -0.494 119.728 120.200 0.036 0.000 2.051 298 E HA -0.083 4.268 4.350 0.001 0.000 0.192 298 E C 2.318 178.916 176.600 -0.005 0.000 0.991 298 E CA 1.137 57.547 56.400 0.016 0.000 0.799 298 E CB -0.302 29.401 29.700 0.006 0.000 0.748 298 E HN 0.616 8.976 8.360 -0.000 0.000 0.449 299 A N 0.352 123.166 122.820 -0.010 0.000 1.933 299 A HA -0.212 4.109 4.320 0.001 0.000 0.218 299 A C 2.025 179.551 177.584 -0.097 0.000 1.175 299 A CA 1.353 53.361 52.037 -0.049 0.000 0.628 299 A CB -0.744 18.229 19.000 -0.044 0.000 0.814 299 A HN 0.410 8.560 8.150 -0.000 0.000 0.444 300 Y N 0.524 120.713 120.300 -0.185 0.000 2.114 300 Y HA -0.186 4.365 4.550 0.002 0.000 0.284 300 Y C 1.988 177.767 175.900 -0.201 0.000 1.143 300 Y CA 2.020 59.948 58.100 -0.287 0.000 1.135 300 Y CB -0.401 37.891 38.460 -0.280 0.000 0.980 300 Y HN 0.209 8.489 8.280 -0.000 0.000 0.499 301 L N -0.131 121.043 121.223 -0.082 0.000 2.127 301 L HA -0.243 4.098 4.340 0.001 0.000 0.211 301 L C 2.710 179.490 176.870 -0.150 0.000 1.089 301 L CA 1.713 56.489 54.840 -0.106 0.000 0.757 301 L CB -0.785 41.287 42.059 0.021 0.000 0.899 301 L HN 0.411 8.641 8.230 -0.000 0.000 0.434 302 S N -0.664 114.957 115.700 -0.132 0.000 2.414 302 S HA -0.212 4.259 4.470 0.001 0.000 0.227 302 S C 2.021 176.525 174.600 -0.161 0.000 1.022 302 S CA 0.821 58.955 58.200 -0.110 0.000 0.958 302 S CB -0.357 62.800 63.200 -0.073 0.000 0.797 302 S HN 0.414 8.724 8.310 -0.000 0.000 0.493 303 M N 0.618 120.071 119.600 -0.246 0.000 2.086 303 M HA -0.036 4.445 4.480 0.001 0.000 0.261 303 M C 2.126 178.233 176.300 -0.320 0.000 1.067 303 M CA 1.617 56.741 55.300 -0.292 0.000 1.116 303 M CB -0.313 32.044 32.600 -0.404 0.000 1.348 303 M HN 0.448 8.738 8.290 -0.000 0.000 0.407 304 L N 0.435 121.381 121.223 -0.462 0.000 2.046 304 L HA -0.109 4.232 4.340 0.001 0.000 0.208 304 L C 2.319 179.110 176.870 -0.131 0.000 1.077 304 L CA 2.264 56.900 54.840 -0.341 0.000 0.747 304 L CB -0.644 41.172 42.059 -0.404 0.000 0.896 304 L HN 0.552 8.782 8.230 -0.000 0.000 0.432 305 S N -1.663 113.973 115.700 -0.106 0.000 2.710 305 S HA 0.240 4.711 4.470 0.001 0.000 0.224 305 S C 0.506 175.089 174.600 -0.028 0.000 0.948 305 S CA -0.043 58.138 58.200 -0.032 0.000 0.949 305 S CB -0.817 62.372 63.200 -0.018 0.000 0.778 305 S HN 0.616 8.926 8.310 -0.000 0.000 0.498 306 S N 0.000 115.671 115.700 -0.049 0.000 2.498 306 S HA 0.000 4.471 4.470 0.001 0.000 0.327 306 S CA 0.000 58.180 58.200 -0.034 0.000 1.107 306 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 306 S HN 0.000 8.310 8.310 -0.000 0.000 0.517