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 1bwm_7_A DATA FIRST_RESID 3 DATA SEQUENCE AVTQSPRNKV AVTGGKVTLS cNQTNNHNNM YWYRQDTGHG LRLIHYSYGA DATA SEQUENCE GSTEKGDIPD GXYKASRPSQ ENFSLILELA TPSQTSVYFc ASGGQGRXXX DATA SEQUENCE XAEQFFGPGT RLTLXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXGS DATA SEQUENCE DYKDDDDKRS GGGGSGGGGS GGSGAXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXQQ DATA SEQUENCE VRQSPQSLTV WEGETTILNc SYEDSTFDYF PWYRQFPGKS PALLIAISLV DATA SEQUENCE SNKKEDGXRF TIFFNKREKK LSLHITDSQP GDSATYFcAA TXXXXXGSFN DATA SEQUENCE KLTFGAGTRL AVSPY 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 3 A HA 0.000 4.284 4.320 -0.059 0.000 0.244 3 A C 0.000 177.599 177.584 0.026 0.000 1.274 3 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 3 A CB 0.000 18.977 19.000 -0.038 0.000 0.831 4 V N 2.505 122.447 119.914 0.046 0.000 2.441 4 V HA 0.008 4.483 4.120 0.096 -0.298 0.279 4 V C -0.280 175.868 176.094 0.091 0.000 0.990 4 V CA 0.767 63.122 62.300 0.092 0.000 1.116 4 V CB -0.750 31.155 31.823 0.136 0.000 0.977 4 V HN 0.053 8.254 8.190 0.018 0.000 0.470 5 T N 6.340 120.947 114.554 0.089 0.000 2.693 5 T HA 0.370 4.772 4.350 0.087 0.000 0.278 5 T C -1.662 173.097 174.700 0.097 0.000 0.994 5 T CA -2.137 60.014 62.100 0.085 0.000 1.033 5 T CB 2.785 71.693 68.868 0.068 0.000 1.342 5 T HN -0.387 7.992 8.240 0.097 -0.081 0.538 6 Q N -1.680 118.171 119.800 0.085 0.000 2.522 6 Q HA 0.149 4.662 4.340 0.129 -0.096 0.285 6 Q C -2.051 173.985 176.000 0.059 0.000 0.982 6 Q CA -0.387 55.474 55.803 0.097 0.000 0.805 6 Q CB 4.451 33.247 28.738 0.097 0.000 1.457 6 Q HN 0.042 8.355 8.270 0.071 0.000 0.394 7 S N 1.544 117.271 115.700 0.044 0.000 2.328 7 S HA 0.385 4.865 4.470 0.016 0.000 0.204 7 S C -2.197 172.402 174.600 -0.001 0.000 1.475 7 S CA -2.346 55.862 58.200 0.013 0.000 1.148 7 S CB 0.288 63.484 63.200 -0.006 0.000 1.077 7 S HN 0.174 8.519 8.310 0.058 0.000 0.479 8 P HA 0.300 4.716 4.420 -0.006 0.000 0.269 8 P C 0.147 177.441 177.300 -0.009 0.000 1.209 8 P CA -0.233 62.865 63.100 -0.002 0.000 0.776 8 P CB 0.852 32.555 31.700 0.004 0.000 0.876 9 R N 3.368 123.860 120.500 -0.015 0.000 2.373 9 R HA 0.058 4.389 4.340 -0.015 0.000 0.221 9 R C -0.817 175.480 176.300 -0.004 0.000 0.893 9 R CA -0.513 55.578 56.100 -0.015 0.000 1.049 9 R CB 0.790 31.072 30.300 -0.030 0.000 1.119 9 R HN 0.540 8.801 8.270 -0.015 0.000 0.535 10 N N -1.784 116.918 118.700 0.003 0.000 2.641 10 N HA -0.355 4.394 4.740 0.015 0.000 0.267 10 N C -1.389 174.127 175.510 0.011 0.000 1.087 10 N CA 1.424 54.480 53.050 0.011 0.000 0.731 10 N CB -1.306 37.187 38.487 0.010 0.000 0.886 10 N HN 0.207 8.589 8.380 0.003 0.000 0.547 11 K N -0.984 119.425 120.400 0.014 0.000 2.625 11 K HA 0.163 4.492 4.320 0.014 0.000 0.284 11 K C -1.908 174.705 176.600 0.022 0.000 0.984 11 K CA -0.957 55.338 56.287 0.014 0.000 0.865 11 K CB 2.389 34.891 32.500 0.005 0.000 1.468 11 K HN -0.266 7.995 8.250 0.018 0.000 0.407 12 V N -0.137 119.791 119.914 0.023 0.000 2.966 12 V HA 0.030 4.175 4.120 0.041 0.000 0.317 12 V C -1.181 174.929 176.094 0.027 0.000 1.070 12 V CA -1.162 61.157 62.300 0.031 0.000 1.008 12 V CB 1.430 33.271 31.823 0.029 0.000 1.070 12 V HN 0.121 8.322 8.190 0.019 0.000 0.457 13 A N 3.411 126.251 122.820 0.034 0.000 2.350 13 A HA 0.459 4.791 4.320 0.019 0.000 0.318 13 A C -2.069 175.532 177.584 0.030 0.000 1.132 13 A CA -1.448 50.606 52.037 0.028 0.000 0.811 13 A CB 2.442 21.462 19.000 0.034 0.000 1.313 13 A HN -0.068 8.108 8.150 0.044 0.000 0.454 14 V N -5.087 114.842 119.914 0.025 0.000 3.369 14 V HA 0.324 4.526 4.120 0.028 -0.065 0.301 14 V C -1.129 174.981 176.094 0.027 0.000 1.184 14 V CA -2.702 59.614 62.300 0.026 0.000 1.013 14 V CB 2.542 34.378 31.823 0.022 0.000 1.230 14 V HN -0.022 8.180 8.190 0.021 0.000 0.464 15 T N 1.002 115.572 114.554 0.027 0.000 2.704 15 T HA -0.361 4.104 4.350 0.029 -0.098 0.271 15 T C 0.754 175.469 174.700 0.025 0.000 1.000 15 T CA 2.697 64.813 62.100 0.027 0.000 1.216 15 T CB -0.855 68.029 68.868 0.026 0.000 0.961 15 T HN -0.008 8.248 8.240 0.027 0.000 0.515 16 G N 6.195 115.012 108.800 0.028 0.000 2.314 16 G HA2 -0.409 3.645 3.960 0.030 0.000 0.292 16 G HA3 -0.409 3.563 3.960 0.021 0.000 0.292 16 G C -0.680 174.231 174.900 0.017 0.000 1.059 16 G CA 0.419 45.533 45.100 0.025 0.000 0.982 16 G HN -0.047 8.263 8.290 0.034 0.000 0.505 17 G N -0.688 108.124 108.800 0.019 0.000 2.629 17 G HA2 -0.118 3.847 3.960 0.008 0.000 0.213 17 G HA3 -0.118 3.850 3.960 0.014 0.000 0.213 17 G C -1.220 173.680 174.900 -0.000 0.000 1.425 17 G CA 0.140 45.247 45.100 0.011 0.000 0.929 17 G HN 0.086 8.393 8.290 0.027 0.000 0.527 18 K N -1.746 118.652 120.400 -0.004 0.000 2.818 18 K HA 0.422 4.924 4.320 -0.027 -0.198 0.287 18 K C -1.868 174.702 176.600 -0.049 0.000 1.061 18 K CA -0.709 55.561 56.287 -0.028 0.000 0.858 18 K CB 3.195 35.675 32.500 -0.034 0.000 1.456 18 K HN -0.225 8.028 8.250 0.005 0.000 0.364 19 V N 1.866 121.724 119.914 -0.094 0.000 2.532 19 V HA 0.195 4.224 4.120 -0.152 0.000 0.294 19 V C -1.744 174.214 176.094 -0.226 0.000 1.036 19 V CA -1.155 61.038 62.300 -0.178 0.000 0.876 19 V CB 2.522 34.203 31.823 -0.237 0.000 1.012 19 V HN 0.190 8.324 8.190 -0.093 0.000 0.432 20 T N 8.523 122.958 114.554 -0.198 0.000 2.770 20 T HA 0.171 4.401 4.350 -0.200 0.000 0.297 20 T C -1.202 173.374 174.700 -0.205 0.000 0.997 20 T CA 0.205 62.193 62.100 -0.186 0.000 0.949 20 T CB 0.704 69.499 68.868 -0.121 0.000 0.941 20 T HN 0.079 8.220 8.240 -0.165 0.000 0.457 21 L N 9.156 130.231 121.223 -0.246 0.000 2.439 21 L HA 0.423 4.693 4.340 -0.116 0.000 0.270 21 L C -1.736 175.049 176.870 -0.141 0.000 0.972 21 L CA -0.753 53.977 54.840 -0.184 0.000 0.836 21 L CB 3.803 45.693 42.059 -0.282 0.000 1.255 21 L HN -0.147 7.915 8.230 -0.281 0.000 0.404 22 S N 2.681 118.348 115.700 -0.055 0.000 2.566 22 S HA 0.301 4.708 4.470 -0.105 0.000 0.324 22 S C -1.519 173.118 174.600 0.061 0.000 1.081 22 S CA -0.447 57.730 58.200 -0.039 0.000 1.105 22 S CB 0.727 63.901 63.200 -0.042 0.000 0.981 22 S HN 0.137 8.429 8.310 -0.030 0.000 0.464 23 c N 7.000 125.676 118.600 0.127 0.000 2.456 23 c HA 0.579 5.323 4.570 0.165 -0.075 0.325 23 c C -1.842 172.367 174.090 0.199 0.000 1.217 23 c CA -2.003 54.456 56.329 0.217 0.000 1.687 23 c CB 1.927 44.694 42.510 0.428 0.000 2.270 23 c HN 0.270 8.540 8.230 0.068 0.000 0.499 24 N N 4.547 123.336 118.700 0.149 0.000 2.518 24 N HA 0.494 5.414 4.740 0.139 -0.097 0.284 24 N C -1.989 173.594 175.510 0.122 0.000 1.230 24 N CA -0.481 52.644 53.050 0.125 0.000 0.941 24 N CB 3.414 41.946 38.487 0.074 0.000 1.219 24 N HN -0.061 8.364 8.380 0.127 0.031 0.560 25 Q N -0.898 118.955 119.800 0.089 0.000 2.331 25 Q HA 0.283 4.668 4.340 0.076 0.000 0.249 25 Q C -2.295 173.715 176.000 0.016 0.000 0.913 25 Q CA 0.239 56.084 55.803 0.069 0.000 0.874 25 Q CB 3.845 32.635 28.738 0.086 0.000 1.384 25 Q HN 0.551 8.867 8.270 0.076 0.000 0.427 26 T N 4.297 118.830 114.554 -0.035 0.000 4.998 26 T HA 0.112 4.415 4.350 -0.079 0.000 0.217 26 T C -1.325 173.258 174.700 -0.194 0.000 0.911 26 T CA 0.932 62.979 62.100 -0.088 0.000 1.115 26 T CB -0.743 68.095 68.868 -0.051 0.000 0.734 26 T HN 0.176 8.392 8.240 -0.040 0.000 0.457 27 N N 3.171 121.652 118.700 -0.365 0.000 2.389 27 N HA 0.039 4.520 4.740 -0.432 0.000 0.260 27 N C -0.918 174.060 175.510 -0.887 0.000 1.191 27 N CA 0.067 52.733 53.050 -0.640 0.000 0.885 27 N CB 0.125 38.136 38.487 -0.794 0.000 1.162 27 N HN 0.359 8.539 8.380 -0.333 0.000 0.512 28 N N -2.295 116.105 118.700 -0.500 0.000 2.815 28 N HA -0.232 4.410 4.740 -0.163 0.000 0.248 28 N C -2.191 173.202 175.510 -0.194 0.000 1.110 28 N CA 0.798 53.668 53.050 -0.301 0.000 0.699 28 N CB -0.985 37.347 38.487 -0.260 0.000 1.040 28 N HN 0.089 8.186 8.380 -0.338 0.081 0.555 29 H N -1.841 117.210 119.070 -0.031 0.000 2.511 29 H HA 0.131 4.715 4.556 0.047 0.000 0.328 29 H C -1.308 174.038 175.328 0.029 0.000 1.044 29 H CA -0.973 55.087 56.048 0.021 0.000 1.212 29 H CB 0.853 30.632 29.762 0.029 0.000 1.428 29 H HN -0.340 7.836 8.280 -0.174 0.000 0.483 30 N N 2.597 121.402 118.700 0.176 0.000 2.461 30 N HA -0.072 4.723 4.740 0.091 0.000 0.188 30 N C -1.633 173.943 175.510 0.111 0.000 1.134 30 N CA 0.181 53.297 53.050 0.111 0.000 0.878 30 N CB 0.741 39.279 38.487 0.085 0.000 0.972 30 N HN 0.458 8.956 8.380 0.196 0.000 0.456 31 N N -3.477 115.286 118.700 0.106 0.000 2.367 31 N HA 0.123 4.893 4.740 0.051 0.000 0.278 31 N C -2.701 172.708 175.510 -0.169 0.000 1.117 31 N CA -0.264 52.779 53.050 -0.012 0.000 0.867 31 N CB 3.544 42.036 38.487 0.008 0.000 1.649 31 N HN -0.578 7.814 8.380 0.156 0.081 0.479 32 M N 0.970 120.371 119.600 -0.332 0.000 2.465 32 M HA 0.368 4.784 4.480 -0.108 0.000 0.316 32 M C -2.161 173.857 176.300 -0.470 0.000 1.121 32 M CA -1.555 53.584 55.300 -0.269 0.000 0.934 32 M CB 3.884 36.420 32.600 -0.106 0.000 1.692 32 M HN 0.402 8.424 8.290 -0.279 0.101 0.444 33 Y N 2.332 122.696 120.300 0.105 0.000 2.562 33 Y HA 0.207 4.900 4.550 0.237 0.000 0.343 33 Y C -2.042 173.933 175.900 0.125 0.000 1.025 33 Y CA -1.158 57.035 58.100 0.155 0.000 1.082 33 Y CB 3.741 42.321 38.460 0.199 0.000 1.264 33 Y HN 0.485 8.875 8.280 0.182 0.000 0.478 34 W N -0.987 120.391 121.300 0.129 0.000 2.756 34 W HA 0.358 5.198 4.660 0.300 0.000 0.333 34 W C -2.156 174.298 176.519 -0.107 0.000 1.025 34 W CA -0.985 56.457 57.345 0.163 0.000 1.246 34 W CB 3.727 33.351 29.460 0.273 0.000 1.358 34 W HN 0.265 8.587 8.180 0.236 0.000 0.444 35 Y N 3.562 124.135 120.300 0.455 0.000 2.650 35 Y HA 0.351 5.100 4.550 0.172 -0.096 0.331 35 Y C -1.594 174.480 175.900 0.289 0.000 1.082 35 Y CA -1.483 56.754 58.100 0.228 0.000 1.171 35 Y CB 4.995 43.444 38.460 -0.020 0.000 1.326 35 Y HN 0.110 8.712 8.280 0.538 0.000 0.513 36 R N -2.309 118.338 120.500 0.245 0.000 2.740 36 R HA 0.616 5.279 4.340 0.244 -0.176 0.273 36 R C -2.275 174.067 176.300 0.071 0.000 0.998 36 R CA -1.711 54.478 56.100 0.149 0.000 0.900 36 R CB 4.598 34.911 30.300 0.021 0.000 1.223 36 R HN -0.233 8.030 8.270 0.131 0.086 0.466 37 Q N 1.677 121.536 119.800 0.097 0.000 2.381 37 Q HA 0.529 5.182 4.340 0.073 -0.270 0.263 37 Q C -1.216 174.832 176.000 0.080 0.000 1.030 37 Q CA -0.920 54.935 55.803 0.088 0.000 0.772 37 Q CB 2.154 30.955 28.738 0.106 0.000 1.232 37 Q HN -0.126 8.206 8.270 0.103 0.000 0.476 38 D N 4.006 124.472 120.400 0.111 0.000 2.650 38 D HA 0.262 4.899 4.640 -0.005 0.000 0.265 38 D C -0.383 175.791 176.300 -0.211 0.000 1.339 38 D CA -1.583 52.411 54.000 -0.009 0.000 0.816 38 D CB 1.242 42.104 40.800 0.103 0.000 1.091 38 D HN -0.085 8.419 8.370 0.225 0.000 0.483 39 T N -2.270 112.191 114.554 -0.154 0.000 0.541 39 T HA -0.434 3.868 4.350 -0.080 0.000 0.774 39 T C 0.943 175.422 174.700 -0.368 0.000 0.992 39 T CA 1.856 63.854 62.100 -0.169 0.000 4.077 39 T CB -0.390 68.416 68.868 -0.104 0.000 2.303 39 T HN -0.401 7.812 8.240 -0.044 0.000 0.398 40 G N 1.734 110.411 108.800 -0.205 0.000 4.236 40 G HA2 -0.362 3.546 3.960 -0.087 0.000 0.222 40 G HA3 -0.362 3.453 3.960 -0.242 0.000 0.222 40 G C -0.805 174.045 174.900 -0.083 0.000 1.354 40 G CA 1.398 46.393 45.100 -0.175 0.000 0.966 40 G HN 0.454 8.673 8.290 -0.119 0.000 0.624 41 H N -0.459 118.669 119.070 0.096 0.000 2.893 41 H HA 0.174 4.812 4.556 0.137 0.000 0.270 41 H C 1.132 176.578 175.328 0.197 0.000 1.095 41 H CA -1.062 55.082 56.048 0.160 0.000 1.186 41 H CB 1.504 31.392 29.762 0.209 0.000 1.562 41 H HN 0.421 8.031 8.280 -0.978 0.083 0.536 42 G N 2.044 110.979 108.800 0.226 0.000 3.581 42 G HA2 -0.464 3.589 3.960 0.154 0.000 0.336 42 G HA3 -0.464 3.846 3.960 0.324 -0.156 0.336 42 G C -1.284 173.793 174.900 0.294 0.000 1.259 42 G CA 1.366 46.628 45.100 0.269 0.000 1.001 42 G HN 0.055 8.156 8.290 -0.081 0.140 0.662 43 L N 2.744 124.049 121.223 0.137 0.000 2.466 43 L HA 0.071 4.259 4.340 -0.422 -0.101 0.257 43 L C -0.520 175.907 176.870 -0.738 0.000 1.189 43 L CA 0.250 54.780 54.840 -0.517 0.000 0.813 43 L CB 1.009 42.448 42.059 -1.033 0.000 1.118 43 L HN -0.252 8.166 8.230 0.314 0.000 0.471 44 R N 0.089 120.118 120.500 -0.786 0.000 3.009 44 R HA 0.114 4.351 4.340 -0.172 0.000 0.278 44 R C -2.087 174.138 176.300 -0.124 0.000 1.515 44 R CA -1.190 54.675 56.100 -0.393 0.000 1.055 44 R CB 1.513 31.672 30.300 -0.234 0.000 1.345 44 R HN -0.197 7.715 8.270 -0.597 0.000 0.421 45 L N 6.520 127.774 121.223 0.052 0.000 2.453 45 L HA 0.077 4.405 4.340 -0.260 -0.144 0.272 45 L C -0.535 176.349 176.870 0.023 0.000 1.182 45 L CA 0.849 55.679 54.840 -0.016 0.000 0.858 45 L CB 1.726 43.855 42.059 0.117 0.000 1.120 45 L HN 0.312 8.756 8.230 0.358 0.000 0.474 46 I N -0.057 120.538 120.570 0.042 0.000 4.866 46 I HA 0.404 4.514 4.170 -0.100 0.000 0.325 46 I C -1.297 174.769 176.117 -0.085 0.000 1.240 46 I CA 0.233 61.521 61.300 -0.020 0.000 1.355 46 I CB 2.683 40.703 38.000 0.034 0.000 1.395 46 I HN 0.030 8.279 8.210 0.066 0.000 0.479 47 H N -0.451 118.726 119.070 0.177 0.000 2.990 47 H HA 0.618 5.349 4.556 0.038 -0.151 0.343 47 H C -2.250 173.314 175.328 0.392 0.000 1.270 47 H CA -0.452 55.699 56.048 0.171 0.000 1.118 47 H CB 5.019 34.804 29.762 0.038 0.000 1.861 47 H HN -0.912 7.566 8.280 0.330 0.000 0.544 48 Y N -6.686 113.755 120.300 0.234 0.000 2.318 48 Y HA 0.048 4.732 4.550 0.117 -0.063 0.317 48 Y C -3.173 172.638 175.900 -0.148 0.000 1.290 48 Y CA -0.540 57.596 58.100 0.060 0.000 1.177 48 Y CB 0.716 39.209 38.460 0.054 0.000 1.307 48 Y HN 0.200 8.355 8.280 -0.208 0.000 0.428 49 S N 0.978 116.492 115.700 -0.310 0.000 2.536 49 S HA 0.513 4.606 4.470 -0.627 0.000 0.287 49 S C -0.695 173.676 174.600 -0.381 0.000 1.101 49 S CA -2.522 55.344 58.200 -0.557 0.000 0.950 49 S CB 3.044 65.689 63.200 -0.925 0.000 1.056 49 S HN -0.226 7.948 8.310 -0.226 0.000 0.481 50 Y N 0.841 121.024 120.300 -0.196 0.000 2.432 50 Y HA 0.243 4.694 4.550 -0.165 0.000 0.252 50 Y C -1.767 174.067 175.900 -0.109 0.000 1.097 50 Y CA -2.143 55.867 58.100 -0.149 0.000 1.250 50 Y CB 1.290 39.680 38.460 -0.117 0.000 1.245 50 Y HN 0.365 7.816 8.280 -1.382 0.000 0.522 51 G N -2.427 106.145 108.800 -0.380 0.000 3.176 51 G HA2 0.140 4.101 3.960 0.001 0.000 0.272 51 G HA3 0.140 4.076 3.960 -0.040 0.000 0.272 51 G C -2.669 172.106 174.900 -0.209 0.000 1.349 51 G CA -1.731 43.291 45.100 -0.129 0.000 0.953 51 G HN -0.717 6.995 8.290 -0.965 0.000 0.559 52 A N -1.528 121.223 122.820 -0.115 0.000 2.306 52 A HA 0.016 4.275 4.320 -0.102 0.000 0.314 52 A C 0.494 178.019 177.584 -0.099 0.000 1.164 52 A CA -0.883 51.097 52.037 -0.094 0.000 0.822 52 A CB 0.421 19.396 19.000 -0.041 0.000 1.130 52 A HN 0.043 8.156 8.150 -0.062 0.000 0.496 53 G N 2.543 111.294 108.800 -0.081 0.000 2.314 53 G HA2 -0.425 3.565 3.960 -0.042 0.000 0.292 53 G HA3 -0.425 3.506 3.960 -0.048 0.000 0.292 53 G C -1.039 173.796 174.900 -0.109 0.000 1.059 53 G CA 0.414 45.474 45.100 -0.066 0.000 0.982 53 G HN 0.153 8.405 8.290 -0.062 0.000 0.505 54 S N -0.561 115.026 115.700 -0.187 0.000 2.383 54 S HA 0.209 4.577 4.470 -0.169 0.000 0.196 54 S C -1.198 173.223 174.600 -0.298 0.000 1.364 54 S CA -0.305 57.737 58.200 -0.263 0.000 1.212 54 S CB 0.222 63.142 63.200 -0.467 0.000 1.171 54 S HN -0.037 8.153 8.310 -0.200 0.000 0.456 55 T N 0.846 115.306 114.554 -0.156 0.000 2.902 55 T HA 0.264 4.515 4.350 -0.166 0.000 0.283 55 T C -0.663 173.961 174.700 -0.127 0.000 1.009 55 T CA -1.237 60.806 62.100 -0.095 0.000 1.051 55 T CB 1.466 70.375 68.868 0.068 0.000 0.999 55 T HN -0.167 8.014 8.240 -0.098 0.000 0.474 56 E N 3.514 123.576 120.200 -0.230 0.000 2.413 56 E HA 0.332 4.620 4.350 -0.102 0.000 0.277 56 E C -1.457 174.936 176.600 -0.345 0.000 0.958 56 E CA -1.238 54.990 56.400 -0.287 0.000 0.779 56 E CB 4.561 33.946 29.700 -0.525 0.000 1.278 56 E HN 0.240 8.469 8.360 -0.217 0.000 0.456 57 K N 0.562 120.878 120.400 -0.139 0.000 2.249 57 K HA 0.166 4.168 4.320 -0.531 0.000 0.280 57 K C -0.189 176.396 176.600 -0.024 0.000 1.033 57 K CA -0.464 55.698 56.287 -0.208 0.000 0.946 57 K CB 0.173 32.667 32.500 -0.011 0.000 1.005 57 K HN 0.163 8.402 8.250 -0.018 0.000 0.469 58 G N 3.831 112.551 108.800 -0.133 0.000 2.707 58 G HA2 -0.204 3.979 3.960 0.373 0.000 0.192 58 G HA3 -0.204 3.939 3.960 0.020 -0.171 0.192 58 G C -1.015 173.922 174.900 0.061 0.000 1.471 58 G CA 1.065 46.226 45.100 0.100 0.000 0.865 58 G HN 0.404 8.383 8.290 -0.438 0.048 0.529 59 D N -0.210 120.197 120.400 0.011 0.000 2.735 59 D HA 0.114 4.768 4.640 0.025 0.000 0.267 59 D C 0.430 176.723 176.300 -0.010 0.000 1.081 59 D CA 2.149 56.157 54.000 0.014 0.000 0.980 59 D CB 2.667 43.487 40.800 0.032 0.000 1.129 59 D HN -0.502 7.860 8.370 -0.012 0.000 0.459 60 I N -5.433 115.116 120.570 -0.035 0.000 2.884 60 I HA 0.543 4.703 4.170 -0.018 0.000 0.317 60 I C -2.539 173.535 176.117 -0.071 0.000 1.498 60 I CA -2.629 58.652 61.300 -0.031 0.000 0.796 60 I CB -2.410 35.589 38.000 -0.002 0.000 2.162 60 I HN 0.029 8.215 8.210 -0.040 0.000 0.603 61 P HA 0.297 4.573 4.420 -0.240 0.000 0.273 61 P C -1.791 175.440 177.300 -0.114 0.000 1.258 61 P CA 0.215 63.113 63.100 -0.337 0.000 0.802 61 P CB 0.892 31.993 31.700 -0.999 0.000 1.040 62 D N -1.199 119.205 120.400 0.007 0.000 2.726 62 D HA 0.040 4.848 4.640 0.281 0.000 0.203 62 D C -0.714 175.775 176.300 0.314 0.000 1.297 62 D CA 0.258 54.388 54.000 0.217 0.000 0.863 62 D CB 1.938 42.801 40.800 0.106 0.000 1.669 62 D HN -0.012 8.306 8.370 -0.087 0.000 0.561 66 K N 1.520 121.861 120.400 -0.098 0.000 2.565 66 K HA 0.362 4.502 4.320 -0.301 0.000 0.251 66 K C -2.309 174.184 176.600 -0.178 0.000 0.956 66 K CA 0.657 56.825 56.287 -0.198 0.000 0.809 66 K CB 3.859 36.253 32.500 -0.176 0.000 1.267 66 K HN 0.477 8.735 8.250 0.013 0.000 0.438 67 A N 4.199 126.918 122.820 -0.169 0.000 2.435 67 A HA 0.676 4.847 4.320 -0.428 -0.107 0.296 67 A C -1.599 175.890 177.584 -0.160 0.000 1.147 67 A CA -1.355 50.501 52.037 -0.302 0.000 0.775 67 A CB 2.609 21.337 19.000 -0.454 0.000 1.340 67 A HN 0.225 8.311 8.150 -0.107 0.000 0.427 68 S N -1.713 113.876 115.700 -0.184 0.000 2.537 68 S HA 0.193 4.674 4.470 0.019 0.000 0.270 68 S C -1.882 172.792 174.600 0.123 0.000 1.142 68 S CA 0.490 58.675 58.200 -0.026 0.000 0.870 68 S CB 3.255 66.404 63.200 -0.085 0.000 1.112 68 S HN 0.112 8.167 8.310 -0.425 0.000 0.466 69 R N 4.564 125.165 120.500 0.168 0.000 2.564 69 R HA 0.722 5.290 4.340 0.380 0.000 0.282 69 R C -1.294 175.049 176.300 0.072 0.000 1.573 69 R CA -3.854 52.376 56.100 0.217 0.000 1.588 69 R CB 0.263 30.627 30.300 0.107 0.000 1.154 69 R HN 0.385 8.708 8.270 0.089 0.000 0.606 70 P HA -0.138 4.285 4.420 0.006 0.000 0.215 70 P C 0.018 177.328 177.300 0.016 0.000 1.153 70 P CA 1.290 64.400 63.100 0.018 0.000 0.853 70 P CB 0.284 31.989 31.700 0.009 0.000 0.788 71 S N -2.475 113.243 115.700 0.030 0.000 2.599 71 S HA 0.183 4.655 4.470 0.004 0.000 0.287 71 S C -0.507 174.100 174.600 0.013 0.000 1.105 71 S CA -1.449 56.761 58.200 0.016 0.000 0.899 71 S CB 2.866 66.077 63.200 0.019 0.000 1.100 71 S HN -0.701 7.633 8.310 0.054 0.008 0.482 72 Q N 2.910 122.705 119.800 -0.007 0.000 2.291 72 Q HA -0.294 4.172 4.340 -0.061 -0.163 0.206 72 Q C 0.406 176.402 176.000 -0.006 0.000 0.976 72 Q CA 2.959 58.747 55.803 -0.026 0.000 0.875 72 Q CB 0.151 28.878 28.738 -0.018 0.000 0.927 72 Q HN 0.572 8.838 8.270 -0.007 0.000 0.450 73 E N -5.389 114.820 120.200 0.016 0.000 2.364 73 E HA -0.044 4.453 4.350 0.028 -0.130 0.196 73 E C -0.825 175.818 176.600 0.072 0.000 0.990 73 E CA 0.086 56.505 56.400 0.032 0.000 0.886 73 E CB 0.661 30.370 29.700 0.016 0.000 0.866 73 E HN -0.113 8.221 8.360 0.014 0.035 0.493 74 N N -1.499 117.248 118.700 0.079 0.000 2.426 74 N HA 0.017 4.821 4.740 0.107 0.000 0.275 74 N C -2.092 173.545 175.510 0.212 0.000 1.019 74 N CA 0.154 53.269 53.050 0.109 0.000 0.941 74 N CB 0.883 39.405 38.487 0.059 0.000 1.123 74 N HN -0.532 7.779 8.380 0.056 0.103 0.486 75 F N 7.878 127.836 119.950 0.014 0.000 2.588 75 F HA 0.521 5.167 4.527 -0.033 -0.139 0.314 75 F C -2.997 172.806 175.800 0.006 0.000 1.134 75 F CA -1.565 56.437 58.000 0.003 0.000 0.961 75 F CB 4.132 43.159 39.000 0.046 0.000 1.239 75 F HN -0.268 8.165 8.300 0.221 0.000 0.448 76 S N 5.854 121.121 115.700 -0.722 0.000 2.556 76 S HA 0.681 4.904 4.470 -0.556 -0.086 0.271 76 S C -2.363 171.779 174.600 -0.764 0.000 1.135 76 S CA -0.806 57.020 58.200 -0.623 0.000 0.858 76 S CB 3.205 66.232 63.200 -0.289 0.000 1.114 76 S HN 0.205 8.109 8.310 -0.678 0.000 0.468 77 L N -5.082 115.748 121.223 -0.656 0.000 2.600 77 L HA 0.860 4.994 4.340 -0.456 -0.067 0.257 77 L C -2.614 174.009 176.870 -0.412 0.000 1.048 77 L CA -0.353 54.151 54.840 -0.561 0.000 0.869 77 L CB 4.401 45.990 42.059 -0.783 0.000 1.482 77 L HN 0.163 8.053 8.230 -0.565 0.000 0.408 78 I N -7.688 112.701 120.570 -0.302 0.000 3.352 78 I HA 1.007 5.127 4.170 -0.307 -0.134 0.316 78 I C -2.770 173.264 176.117 -0.139 0.000 1.214 78 I CA -2.772 58.384 61.300 -0.240 0.000 0.934 78 I CB 4.402 42.289 38.000 -0.188 0.000 1.310 78 I HN 0.924 8.868 8.210 -0.264 0.107 0.475 79 L N -1.056 120.104 121.223 -0.104 0.000 2.464 79 L HA 0.388 4.748 4.340 0.032 0.000 0.266 79 L C -1.260 175.604 176.870 -0.010 0.000 0.965 79 L CA 0.482 55.319 54.840 -0.006 0.000 0.833 79 L CB 4.066 46.152 42.059 0.045 0.000 1.296 79 L HN -0.356 7.791 8.230 -0.138 0.000 0.405 80 E N 3.100 123.302 120.200 0.004 0.000 3.157 80 E HA 0.235 4.582 4.350 -0.005 0.000 0.203 80 E C -1.422 175.189 176.600 0.018 0.000 0.982 80 E CA -0.442 55.957 56.400 -0.001 0.000 1.217 80 E CB 0.097 29.785 29.700 -0.020 0.000 1.123 80 E HN 0.366 8.735 8.360 0.016 0.000 0.457 81 L N -1.561 119.686 121.223 0.041 0.000 2.408 81 L HA 0.113 4.475 4.340 0.036 0.000 0.260 81 L C -2.464 174.445 176.870 0.064 0.000 1.305 81 L CA 0.905 55.773 54.840 0.047 0.000 0.850 81 L CB 0.754 42.842 42.059 0.048 0.000 1.004 81 L HN -0.285 7.920 8.230 0.052 0.057 0.506 82 A N 2.321 125.177 122.820 0.060 0.000 2.354 82 A HA 0.603 4.969 4.320 0.077 0.000 0.321 82 A C -1.544 176.072 177.584 0.053 0.000 1.125 82 A CA -1.532 50.546 52.037 0.068 0.000 0.799 82 A CB 3.034 22.083 19.000 0.081 0.000 1.293 82 A HN 0.164 8.344 8.150 0.050 0.000 0.452 83 T N -3.418 111.166 114.554 0.051 0.000 2.940 83 T HA 0.582 4.952 4.350 0.034 0.000 0.288 83 T C -1.508 173.212 174.700 0.034 0.000 1.045 83 T CA -3.886 58.237 62.100 0.038 0.000 1.018 83 T CB 0.929 69.819 68.868 0.036 0.000 1.151 83 T HN 0.008 8.282 8.240 0.057 0.000 0.529 84 P HA 0.002 4.599 4.420 0.021 -0.165 0.262 84 P C -1.350 175.959 177.300 0.015 0.000 1.647 84 P CA 0.699 63.809 63.100 0.017 0.000 0.865 84 P CB -2.081 29.622 31.700 0.006 0.000 1.834 85 S N -3.687 112.027 115.700 0.024 0.000 3.868 85 S HA 0.048 4.526 4.470 0.013 0.000 0.115 85 S C -0.702 173.922 174.600 0.041 0.000 0.838 85 S CA 0.756 58.970 58.200 0.023 0.000 0.958 85 S CB 0.332 63.544 63.200 0.020 0.000 1.035 85 S HN 0.320 8.537 8.310 0.032 0.112 0.700 86 Q N -0.491 119.337 119.800 0.047 0.000 2.286 86 Q HA 0.218 4.606 4.340 0.079 0.000 0.243 86 Q C -0.076 175.955 176.000 0.052 0.000 0.752 86 Q CA 0.727 56.567 55.803 0.062 0.000 0.950 86 Q CB 3.475 32.251 28.738 0.065 0.000 1.253 86 Q HN -0.413 7.882 8.270 0.042 0.000 0.492 87 T N 1.241 115.826 114.554 0.052 0.000 2.560 87 T HA -0.332 4.069 4.350 0.084 0.000 0.354 87 T C -0.332 174.361 174.700 -0.013 0.000 1.051 87 T CA 2.805 64.936 62.100 0.051 0.000 1.032 87 T CB 0.511 69.422 68.868 0.072 0.000 1.057 87 T HN -0.656 7.616 8.240 0.053 0.000 0.529 88 S N -4.170 111.494 115.700 -0.061 0.000 2.636 88 S HA 0.059 4.516 4.470 -0.023 0.000 0.277 88 S C -2.247 172.263 174.600 -0.150 0.000 1.154 88 S CA -0.160 57.983 58.200 -0.095 0.000 1.069 88 S CB 0.842 63.974 63.200 -0.114 0.000 1.226 88 S HN -0.304 8.003 8.310 -0.006 0.000 0.457 89 V N 2.037 121.893 119.914 -0.095 0.000 2.370 89 V HA 0.488 4.796 4.120 0.014 -0.180 0.279 89 V C -0.395 175.648 176.094 -0.085 0.000 1.029 89 V CA -0.903 61.377 62.300 -0.033 0.000 0.870 89 V CB 0.389 32.294 31.823 0.137 0.000 0.984 89 V HN -0.243 7.929 8.190 -0.029 0.000 0.451 90 Y N 7.028 127.364 120.300 0.060 0.000 2.359 90 Y HA -0.038 4.830 4.550 0.530 0.000 0.334 90 Y C -0.735 175.215 175.900 0.083 0.000 1.058 90 Y CA 0.186 58.489 58.100 0.339 0.000 1.244 90 Y CB 0.699 39.367 38.460 0.347 0.000 1.187 90 Y HN 0.838 9.237 8.280 0.358 0.095 0.510 91 F N 3.327 123.512 119.950 0.391 0.000 2.507 91 F HA 0.447 5.067 4.527 0.021 -0.080 0.328 91 F C -1.566 173.809 175.800 -0.708 0.000 1.136 91 F CA -1.032 56.949 58.000 -0.032 0.000 0.930 91 F CB 3.713 42.754 39.000 0.068 0.000 1.166 91 F HN 0.092 8.870 8.300 0.797 0.000 0.436 92 c N 6.243 124.427 118.600 -0.694 0.000 2.255 92 c HA 0.437 3.774 4.570 -2.055 0.000 0.326 92 c C -2.145 171.735 174.090 -0.349 0.000 1.258 92 c CA -1.692 53.978 56.329 -1.098 0.000 1.676 92 c CB -0.071 42.017 42.510 -0.704 0.000 2.314 92 c HN 0.275 8.497 8.230 -0.283 -0.162 0.509 93 A N 7.436 130.048 122.820 -0.347 0.000 2.423 93 A HA 0.538 4.636 4.320 -0.369 0.000 0.304 93 A C -2.429 175.060 177.584 -0.159 0.000 1.104 93 A CA -1.859 49.923 52.037 -0.424 0.000 0.757 93 A CB 3.482 21.791 19.000 -1.151 0.000 1.313 93 A HN 0.186 8.100 8.150 -0.394 0.000 0.423 94 S N -0.876 114.761 115.700 -0.106 0.000 2.543 94 S HA 0.204 4.761 4.470 0.145 0.000 0.273 94 S C -1.754 172.665 174.600 -0.300 0.000 1.152 94 S CA -0.107 58.102 58.200 0.015 0.000 0.910 94 S CB 1.824 65.109 63.200 0.141 0.000 1.105 94 S HN 0.111 8.319 8.310 -0.171 0.000 0.465 95 G N 2.415 111.049 108.800 -0.276 0.000 2.720 95 G HA2 0.462 3.477 3.960 -1.574 0.000 0.295 95 G HA3 0.462 4.314 3.960 -0.180 0.000 0.295 95 G C -2.680 172.185 174.900 -0.059 0.000 1.437 95 G CA 0.265 45.053 45.100 -0.519 0.000 0.886 95 G HN -0.369 7.981 8.290 0.101 0.000 0.509 96 G N -1.362 107.487 108.800 0.081 0.000 2.537 96 G HA2 0.307 4.384 3.960 0.196 0.000 0.323 96 G HA3 0.307 4.411 3.960 0.241 0.000 0.323 96 G C -1.871 173.125 174.900 0.160 0.000 1.207 96 G CA -0.407 44.810 45.100 0.195 0.000 0.976 96 G HN -0.035 8.321 8.290 0.111 0.000 0.487 97 Q N -2.440 117.442 119.800 0.136 0.000 0.987 97 Q HA -0.248 4.142 4.340 0.083 0.000 0.105 97 Q C -0.021 176.033 176.000 0.090 0.000 1.161 97 Q CA -0.055 55.807 55.803 0.098 0.000 0.193 97 Q CB -0.128 28.664 28.738 0.089 0.000 5.423 97 Q HN 0.146 8.498 8.270 0.138 0.000 0.292 98 G N -0.240 108.589 108.800 0.049 0.000 2.396 98 G HA2 -0.136 3.868 3.960 0.074 0.000 0.214 98 G HA3 -0.136 3.801 3.960 -0.038 0.000 0.214 98 G C 0.145 175.035 174.900 -0.016 0.000 1.166 98 G CA 0.696 45.806 45.100 0.017 0.000 0.793 98 G HN 0.311 8.621 8.290 0.033 0.000 0.533 105 E N 1.567 121.713 120.200 -0.091 0.000 2.265 105 E HA -0.121 4.123 4.350 -0.177 0.000 0.272 105 E C -0.732 175.664 176.600 -0.339 0.000 1.067 105 E CA -0.246 56.012 56.400 -0.236 0.000 0.900 105 E CB 0.514 30.009 29.700 -0.342 0.000 1.017 105 E HN 0.215 8.547 8.360 -0.047 0.000 0.431 106 Q N 4.739 124.461 119.800 -0.130 0.000 2.244 106 Q HA -0.200 4.065 4.340 -0.125 0.000 0.278 106 Q C 0.306 176.141 176.000 -0.275 0.000 1.093 106 Q CA 0.655 56.355 55.803 -0.173 0.000 0.916 106 Q CB 0.225 28.873 28.738 -0.149 0.000 1.159 106 Q HN 0.370 8.639 8.270 -0.000 0.000 0.384 107 F N 7.105 126.981 119.950 -0.122 0.000 2.679 107 F HA -0.005 4.576 4.527 0.090 0.000 0.351 107 F C -0.669 175.115 175.800 -0.027 0.000 1.279 107 F CA -0.045 57.970 58.000 0.025 0.000 1.227 107 F CB -1.429 37.669 39.000 0.164 0.000 1.623 107 F HN -0.230 8.263 8.300 0.321 0.000 0.666 108 F N 3.276 123.300 119.950 0.124 0.000 2.578 108 F HA -0.164 4.419 4.527 0.094 0.000 0.381 108 F C 0.962 176.846 175.800 0.140 0.000 1.069 108 F CA 1.317 59.378 58.000 0.103 0.000 1.231 108 F CB 0.204 39.222 39.000 0.031 0.000 1.086 108 F HN -0.382 8.036 8.300 0.248 0.031 0.564 109 G N 4.550 113.531 108.800 0.301 0.000 2.736 109 G HA2 0.400 4.488 3.960 0.213 0.000 0.229 109 G HA3 0.400 4.457 3.960 0.162 0.000 0.229 109 G C -2.801 172.230 174.900 0.219 0.000 1.380 109 G CA -1.209 44.022 45.100 0.218 0.000 1.040 109 G HN -0.177 8.267 8.290 0.256 0.000 0.568 110 P HA -0.039 4.447 4.420 0.109 0.000 0.271 110 P C -1.026 176.286 177.300 0.019 0.000 1.233 110 P CA -0.193 62.962 63.100 0.092 0.000 0.789 110 P CB 0.988 32.727 31.700 0.065 0.000 0.951 111 G N -3.457 105.275 108.800 -0.113 0.000 2.695 111 G HA2 0.523 4.642 3.960 -0.219 0.000 0.290 111 G HA3 0.523 3.904 3.960 -1.006 -0.024 0.290 111 G C -2.000 172.757 174.900 -0.240 0.000 1.410 111 G CA -0.675 44.193 45.100 -0.387 0.000 0.844 111 G HN -0.147 8.104 8.290 -0.065 0.000 0.478 112 T N 2.186 116.653 114.554 -0.146 0.000 2.885 112 T HA 0.318 4.655 4.350 -0.021 0.000 0.285 112 T C -1.461 173.273 174.700 0.057 0.000 1.019 112 T CA -0.797 61.306 62.100 0.005 0.000 1.010 112 T CB 2.180 71.096 68.868 0.081 0.000 1.022 112 T HN 0.196 8.369 8.240 -0.112 0.000 0.466 113 R N 4.100 124.636 120.500 0.061 0.000 2.473 113 R HA 0.413 4.947 4.340 0.093 -0.138 0.303 113 R C -1.571 174.786 176.300 0.095 0.000 1.002 113 R CA -1.039 55.108 56.100 0.078 0.000 0.884 113 R CB 0.871 31.199 30.300 0.046 0.000 1.173 113 R HN 0.284 8.580 8.270 0.043 0.000 0.464 114 L N 0.800 122.101 121.223 0.131 0.000 2.465 114 L HA 0.684 5.069 4.340 0.075 0.000 0.257 114 L C -2.431 174.499 176.870 0.100 0.000 0.988 114 L CA -0.257 54.647 54.840 0.106 0.000 0.827 114 L CB 3.038 45.166 42.059 0.115 0.000 1.397 114 L HN 0.021 8.350 8.230 0.165 0.000 0.410 115 T N -2.004 112.593 114.554 0.071 0.000 2.586 115 T HA 0.235 4.623 4.350 0.063 0.000 0.224 115 T C -1.533 173.200 174.700 0.055 0.000 0.878 115 T CA -0.752 61.383 62.100 0.059 0.000 1.153 115 T CB 1.377 70.269 68.868 0.040 0.000 1.777 115 T HN -0.177 8.099 8.240 0.060 0.000 0.522 202 S N 1.108 116.811 115.700 0.006 0.000 2.439 202 S HA 0.008 4.441 4.470 -0.061 0.000 0.282 202 S C -0.121 174.462 174.600 -0.028 0.000 1.170 202 S CA 0.084 58.263 58.200 -0.035 0.000 1.054 202 S CB 0.567 63.750 63.200 -0.028 0.000 0.956 202 S HN -0.170 8.153 8.310 0.023 0.000 0.490 203 D N 6.266 126.624 120.400 -0.070 0.000 2.388 203 D HA 0.202 4.873 4.640 0.053 0.000 0.254 203 D C -1.121 175.112 176.300 -0.112 0.000 1.111 203 D CA 0.314 54.300 54.000 -0.022 0.000 0.993 203 D CB 0.912 41.700 40.800 -0.019 0.000 1.118 203 D HN 0.172 8.488 8.370 -0.090 0.000 0.502 204 Y N -0.846 119.458 120.300 0.007 0.000 3.087 204 Y HA -0.032 4.522 4.550 0.006 0.000 0.227 204 Y C -0.795 175.109 175.900 0.006 0.000 1.015 204 Y CA 1.158 59.261 58.100 0.006 0.000 1.399 204 Y CB 1.774 40.238 38.460 0.006 0.000 1.483 204 Y HN 0.262 8.638 8.280 0.161 0.000 0.420 205 K N 1.009 121.530 120.400 0.202 0.000 2.211 205 K HA 0.083 4.467 4.320 0.107 0.000 0.275 205 K C -0.718 175.923 176.600 0.068 0.000 1.024 205 K CA 0.153 56.505 56.287 0.110 0.000 0.887 205 K CB 0.342 32.892 32.500 0.082 0.000 1.084 205 K HN -0.241 8.140 8.250 0.217 0.000 0.463 206 D N 4.357 124.786 120.400 0.049 0.000 2.502 206 D HA 0.201 4.985 4.640 0.031 -0.125 0.301 206 D C -1.974 174.341 176.300 0.026 0.000 1.202 206 D CA 0.011 54.029 54.000 0.032 0.000 0.878 206 D CB 1.491 42.305 40.800 0.023 0.000 1.062 206 D HN 0.223 8.623 8.370 0.050 0.000 0.499 207 D N 0.833 121.248 120.400 0.025 0.000 2.381 207 D HA 0.092 4.742 4.640 0.018 0.000 0.235 207 D C -0.286 176.024 176.300 0.016 0.000 1.068 207 D CA -0.379 53.632 54.000 0.020 0.000 0.832 207 D CB 1.441 42.253 40.800 0.020 0.000 1.101 207 D HN -0.156 8.231 8.370 0.028 0.000 0.515 208 D N 1.056 121.464 120.400 0.014 0.000 2.882 208 D HA -0.261 4.385 4.640 0.011 0.000 0.229 208 D C -1.065 175.243 176.300 0.013 0.000 1.167 208 D CA 1.652 55.660 54.000 0.012 0.000 0.759 208 D CB 0.139 40.946 40.800 0.011 0.000 1.088 208 D HN 0.265 8.643 8.370 0.013 0.000 0.425 209 D N -5.749 114.660 120.400 0.015 0.000 2.324 209 D HA -0.140 4.508 4.640 0.015 0.000 0.212 209 D C 0.659 176.967 176.300 0.014 0.000 0.984 209 D CA 1.310 55.319 54.000 0.015 0.000 0.885 209 D CB 0.185 40.996 40.800 0.019 0.000 0.996 209 D HN 0.051 8.401 8.370 0.015 0.030 0.505 210 K N 1.170 121.577 120.400 0.013 0.000 2.199 210 K HA -0.118 4.209 4.320 0.012 0.000 0.226 210 K C -0.051 176.555 176.600 0.011 0.000 1.237 210 K CA 0.422 56.716 56.287 0.011 0.000 1.170 210 K CB -2.021 30.486 32.500 0.010 0.000 1.418 210 K HN 0.017 8.275 8.250 0.013 0.000 0.255 211 R N 1.488 121.994 120.500 0.011 0.000 3.311 211 R HA 0.175 4.521 4.340 0.009 0.000 0.332 211 R C 0.053 176.359 176.300 0.010 0.000 1.317 211 R CA -0.511 55.595 56.100 0.010 0.000 1.192 211 R CB -0.576 29.730 30.300 0.010 0.000 1.454 211 R HN -0.016 8.220 8.270 0.012 0.041 0.605 212 S N 2.012 117.719 115.700 0.011 0.000 3.489 212 S HA 0.148 4.625 4.470 0.012 0.000 0.227 212 S C 0.373 174.979 174.600 0.011 0.000 1.360 212 S CA -0.269 57.938 58.200 0.011 0.000 0.934 212 S CB -0.165 63.042 63.200 0.013 0.000 1.410 212 S HN 0.065 8.310 8.310 0.011 0.072 0.483 213 G N 1.918 110.724 108.800 0.010 0.000 3.943 213 G HA2 0.133 4.099 3.960 0.009 0.000 0.275 213 G HA3 0.133 4.098 3.960 0.008 0.000 0.275 213 G C -0.411 174.495 174.900 0.009 0.000 1.234 213 G CA -0.268 44.838 45.100 0.009 0.000 1.522 213 G HN 0.080 8.376 8.290 0.009 0.000 0.636 214 G N -0.810 107.997 108.800 0.011 0.000 2.164 214 G HA2 -0.243 3.725 3.960 0.012 0.000 0.212 214 G HA3 -0.243 3.723 3.960 0.010 0.000 0.212 214 G C -0.207 174.699 174.900 0.011 0.000 1.031 214 G CA -0.612 44.494 45.100 0.011 0.000 0.730 214 G HN -0.486 7.734 8.290 0.011 0.077 0.501 215 G N -1.019 107.788 108.800 0.011 0.000 2.955 215 G HA2 0.256 4.221 3.960 0.010 0.000 0.336 215 G HA3 0.256 4.222 3.960 0.010 0.000 0.336 215 G C -0.166 174.742 174.900 0.012 0.000 1.264 215 G CA -0.626 44.480 45.100 0.010 0.000 1.096 215 G HN -0.320 7.977 8.290 0.012 0.000 0.486 216 G N 2.399 111.207 108.800 0.013 0.000 2.645 216 G HA2 -0.324 3.646 3.960 0.016 0.000 0.239 216 G HA3 -0.324 3.645 3.960 0.015 0.000 0.239 216 G C -1.078 173.834 174.900 0.020 0.000 1.331 216 G CA -0.598 44.512 45.100 0.016 0.000 0.890 216 G HN -0.022 8.275 8.290 0.012 0.000 0.572 217 S N 0.718 116.432 115.700 0.024 0.000 2.541 217 S HA 0.170 4.656 4.470 0.027 0.000 0.283 217 S C 0.470 175.085 174.600 0.025 0.000 1.196 217 S CA -0.248 57.969 58.200 0.028 0.000 1.062 217 S CB 0.835 64.057 63.200 0.036 0.000 1.009 217 S HN -0.011 8.314 8.310 0.025 0.000 0.502 218 G N 3.128 111.942 108.800 0.023 0.000 2.524 218 G HA2 0.067 4.038 3.960 0.019 0.000 0.210 218 G HA3 0.067 4.038 3.960 0.019 0.000 0.210 218 G C -0.471 174.443 174.900 0.022 0.000 1.187 218 G CA 0.065 45.178 45.100 0.021 0.000 0.825 218 G HN 0.540 8.845 8.290 0.024 0.000 0.558 219 G N -0.170 108.645 108.800 0.024 0.000 2.526 219 G HA2 -0.199 3.779 3.960 0.029 0.000 0.225 219 G HA3 -0.199 3.777 3.960 0.026 0.000 0.225 219 G C -0.220 174.693 174.900 0.020 0.000 1.120 219 G CA -0.260 44.856 45.100 0.026 0.000 0.904 219 G HN -0.174 8.131 8.290 0.024 0.000 0.498 220 G N -0.136 108.675 108.800 0.019 0.000 3.251 220 G HA2 0.367 4.335 3.960 0.012 0.000 0.248 220 G HA3 0.367 4.335 3.960 0.013 0.000 0.248 220 G C -1.537 173.372 174.900 0.015 0.000 1.320 220 G CA -0.474 44.635 45.100 0.014 0.000 0.982 220 G HN -0.064 8.238 8.290 0.020 0.000 0.575 221 G N -0.460 108.347 108.800 0.012 0.000 2.509 221 G HA2 0.157 4.126 3.960 0.014 0.000 0.216 221 G HA3 0.157 4.127 3.960 0.015 0.000 0.216 221 G C -0.414 174.491 174.900 0.009 0.000 3.092 221 G CA 0.072 45.180 45.100 0.013 0.000 0.700 221 G HN -0.283 8.013 8.290 0.010 0.000 0.451 222 S N 1.446 117.151 115.700 0.008 0.000 2.452 222 S HA 0.136 4.608 4.470 0.004 0.000 0.225 222 S C 1.722 176.325 174.600 0.005 0.000 1.057 222 S CA 0.378 58.581 58.200 0.005 0.000 0.949 222 S CB 0.997 64.200 63.200 0.005 0.000 0.836 222 S HN 0.116 8.431 8.310 0.009 0.000 0.518 223 G N 3.635 112.439 108.800 0.006 0.000 3.316 223 G HA2 -0.016 3.946 3.960 0.004 0.000 0.255 223 G HA3 -0.016 3.947 3.960 0.006 0.000 0.255 223 G C -0.593 174.311 174.900 0.007 0.000 0.880 223 G CA -0.772 44.332 45.100 0.006 0.000 1.956 223 G HN -0.046 8.248 8.290 0.007 0.000 0.634 224 G N 1.947 110.751 108.800 0.007 0.000 2.527 224 G HA2 -0.362 3.603 3.960 0.008 0.000 0.268 224 G HA3 -0.362 3.603 3.960 0.008 0.000 0.268 224 G C -2.000 172.908 174.900 0.014 0.000 1.175 224 G CA -0.200 44.906 45.100 0.009 0.000 0.962 224 G HN -0.097 8.127 8.290 0.006 0.069 0.560 225 S N -0.166 115.544 115.700 0.017 0.000 2.535 225 S HA 0.138 4.621 4.470 0.022 0.000 0.272 225 S C -0.077 174.536 174.600 0.023 0.000 1.149 225 S CA -0.437 57.777 58.200 0.023 0.000 0.888 225 S CB 1.345 64.564 63.200 0.032 0.000 1.110 225 S HN -0.214 8.105 8.310 0.015 0.000 0.463 226 G N 5.355 114.169 108.800 0.023 0.000 3.213 226 G HA2 0.153 4.122 3.960 0.015 0.000 0.263 226 G HA3 0.153 4.123 3.960 0.018 0.000 0.263 226 G C -1.274 173.639 174.900 0.022 0.000 0.829 226 G CA -0.366 44.745 45.100 0.019 0.000 1.983 226 G HN 0.470 8.774 8.290 0.024 0.000 0.616 302 Q N 0.015 119.770 119.800 -0.075 0.000 2.652 302 Q HA 0.282 4.600 4.340 -0.037 0.000 0.211 302 Q C 0.286 176.256 176.000 -0.051 0.000 0.858 302 Q CA 0.412 56.187 55.803 -0.047 0.000 0.895 302 Q CB 1.050 29.771 28.738 -0.029 0.000 1.194 302 Q HN 0.483 8.685 8.270 -0.114 0.000 0.645 303 V N 3.120 122.994 119.914 -0.067 0.000 2.540 303 V HA -0.166 4.207 4.120 -0.083 -0.302 0.297 303 V C -0.755 175.302 176.094 -0.061 0.000 1.024 303 V CA 0.748 63.004 62.300 -0.074 0.000 1.105 303 V CB 0.057 31.836 31.823 -0.073 0.000 0.938 303 V HN -0.089 8.044 8.190 -0.096 0.000 0.482 304 R N 6.661 127.116 120.500 -0.075 0.000 2.510 304 R HA 0.296 4.611 4.340 -0.042 0.000 0.294 304 R C -1.642 174.619 176.300 -0.065 0.000 1.056 304 R CA -1.272 54.792 56.100 -0.060 0.000 0.918 304 R CB 3.404 33.666 30.300 -0.063 0.000 1.187 304 R HN -0.429 7.767 8.270 -0.093 0.018 0.437 305 Q N 3.620 123.386 119.800 -0.057 0.000 2.261 305 Q HA 0.166 4.680 4.340 -0.047 -0.202 0.252 305 Q C -0.292 175.684 176.000 -0.039 0.000 0.915 305 Q CA 0.569 56.342 55.803 -0.050 0.000 0.915 305 Q CB 0.715 29.419 28.738 -0.058 0.000 1.204 305 Q HN 0.342 8.583 8.270 -0.049 0.000 0.421 306 S N 6.456 122.136 115.700 -0.033 0.000 2.348 306 S HA 0.050 4.497 4.470 -0.038 0.000 0.219 306 S C -0.518 174.061 174.600 -0.035 0.000 1.033 306 S CA 2.554 60.733 58.200 -0.036 0.000 0.974 306 S CB -0.807 62.371 63.200 -0.037 0.000 0.868 306 S HN 0.118 8.414 8.310 -0.023 0.000 0.459 307 P HA -0.028 4.370 4.420 -0.037 0.000 0.216 307 P C -1.511 175.770 177.300 -0.031 0.000 1.153 307 P CA 0.474 63.554 63.100 -0.034 0.000 0.848 307 P CB 0.197 31.876 31.700 -0.035 0.000 0.787 308 Q N -3.113 116.666 119.800 -0.034 0.000 2.398 308 Q HA -0.363 3.948 4.340 -0.049 0.000 0.355 308 Q C -1.761 174.217 176.000 -0.037 0.000 1.334 308 Q CA -0.274 55.505 55.803 -0.039 0.000 0.993 308 Q CB -0.489 28.229 28.738 -0.034 0.000 1.112 308 Q HN 0.111 8.361 8.270 -0.033 0.000 0.305 309 S N -4.067 111.608 115.700 -0.043 0.000 3.465 309 S HA -0.468 4.138 4.470 -0.043 -0.162 0.849 309 S C -1.624 172.963 174.600 -0.021 0.000 1.200 309 S CA 1.273 59.451 58.200 -0.037 0.000 0.947 309 S CB 0.365 63.542 63.200 -0.039 0.000 0.609 309 S HN -0.057 8.221 8.310 -0.052 0.000 0.300 310 L N 2.153 123.368 121.223 -0.013 0.000 2.866 310 L HA 0.303 4.644 4.340 0.000 0.000 0.262 310 L C -2.107 174.770 176.870 0.013 0.000 0.986 310 L CA 1.381 56.221 54.840 0.001 0.000 0.925 310 L CB 4.030 46.089 42.059 0.000 0.000 1.484 310 L HN 0.138 8.358 8.230 -0.017 0.000 0.414 311 T N 5.647 120.220 114.554 0.032 0.000 3.331 311 T HA 0.330 4.872 4.350 0.029 -0.175 0.381 311 T C -0.968 173.797 174.700 0.108 0.000 1.656 311 T CA -0.860 61.268 62.100 0.046 0.000 1.453 311 T CB 0.119 69.007 68.868 0.033 0.000 1.066 311 T HN 0.105 8.367 8.240 0.036 0.000 0.655 312 V N 4.836 124.815 119.914 0.110 0.000 3.376 312 V HA -0.153 4.087 4.120 0.200 0.000 0.303 312 V C -1.079 175.190 176.094 0.292 0.000 1.100 312 V CA -0.576 61.834 62.300 0.183 0.000 1.126 312 V CB 1.176 33.064 31.823 0.109 0.000 1.085 312 V HN -0.397 7.836 8.190 0.072 0.000 0.480 313 W N 1.638 122.931 121.300 -0.011 0.000 1.779 313 W HA -0.090 4.562 4.660 -0.013 0.000 0.409 313 W C -0.976 175.553 176.519 0.016 0.000 1.812 313 W CA -0.091 57.249 57.345 -0.007 0.000 1.994 313 W CB 0.292 29.739 29.460 -0.021 0.000 1.415 313 W HN -0.417 8.206 8.180 0.455 -0.171 0.745 314 E N -0.772 119.566 120.200 0.230 0.000 2.227 314 E HA -0.014 4.409 4.350 0.122 0.000 0.282 314 E C 0.344 177.053 176.600 0.183 0.000 1.015 314 E CA 0.139 56.634 56.400 0.158 0.000 0.823 314 E CB 0.017 29.791 29.700 0.123 0.000 1.081 314 E HN 0.194 8.682 8.360 0.212 0.000 0.396 315 G N 2.565 111.446 108.800 0.135 0.000 2.198 315 G HA2 -0.469 3.548 3.960 0.096 0.000 0.257 315 G HA3 -0.469 3.564 3.960 0.123 0.000 0.257 315 G C -0.847 174.123 174.900 0.117 0.000 1.042 315 G CA 0.236 45.407 45.100 0.118 0.000 0.791 315 G HN 0.439 8.798 8.290 0.114 0.000 0.502 316 E N -1.201 119.072 120.200 0.121 0.000 2.370 316 E HA 0.339 4.731 4.350 0.071 0.000 0.259 316 E C -1.472 175.169 176.600 0.069 0.000 0.947 316 E CA -1.714 54.740 56.400 0.091 0.000 0.809 316 E CB 2.895 32.664 29.700 0.116 0.000 1.300 316 E HN -0.312 8.107 8.360 0.129 0.018 0.419 317 T N -1.382 113.199 114.554 0.045 0.000 2.922 317 T HA 0.330 4.817 4.350 0.054 -0.104 0.281 317 T C -0.607 174.109 174.700 0.027 0.000 1.005 317 T CA -1.697 60.430 62.100 0.045 0.000 0.982 317 T CB 1.302 70.199 68.868 0.049 0.000 1.158 317 T HN 0.088 8.345 8.240 0.028 0.000 0.566 318 T N -0.497 114.067 114.554 0.016 0.000 2.648 318 T HA 0.346 4.678 4.350 -0.031 0.000 0.304 318 T C -2.116 172.527 174.700 -0.096 0.000 1.312 318 T CA -0.830 61.252 62.100 -0.029 0.000 1.023 318 T CB 2.774 71.629 68.868 -0.022 0.000 1.612 318 T HN 0.024 8.181 8.240 0.030 0.101 0.487 319 I N -4.166 116.304 120.570 -0.167 0.000 3.006 319 I HA 0.550 4.623 4.170 -0.345 -0.111 0.306 319 I C -2.197 173.790 176.117 -0.217 0.000 1.250 319 I CA -1.529 59.583 61.300 -0.313 0.000 0.996 319 I CB 3.972 41.663 38.000 -0.514 0.000 1.261 319 I HN 0.013 8.148 8.210 -0.125 0.000 0.442 320 L N 2.089 123.183 121.223 -0.214 0.000 2.438 320 L HA 0.298 4.609 4.340 -0.048 0.000 0.270 320 L C -2.076 174.807 176.870 0.022 0.000 0.972 320 L CA -0.116 54.683 54.840 -0.068 0.000 0.831 320 L CB 4.222 46.249 42.059 -0.052 0.000 1.273 320 L HN 0.184 8.142 8.230 -0.279 0.105 0.405 321 N N 2.672 121.396 118.700 0.040 0.000 2.417 321 N HA 0.658 5.695 4.740 0.095 -0.240 0.300 321 N C -1.304 174.257 175.510 0.084 0.000 1.102 321 N CA -1.193 51.896 53.050 0.065 0.000 0.886 321 N CB 2.407 40.893 38.487 -0.003 0.000 1.203 321 N HN 0.070 8.456 8.380 0.010 0.000 0.496 322 c N 4.051 122.704 118.600 0.088 0.000 2.971 322 c HA 0.665 5.317 4.570 -0.054 -0.114 0.310 322 c C -2.059 172.006 174.090 -0.042 0.000 1.285 322 c CA -2.322 53.994 56.329 -0.022 0.000 1.593 322 c CB 2.925 45.383 42.510 -0.087 0.000 2.076 322 c HN 0.664 8.859 8.230 0.121 0.108 0.472 323 S N 1.361 117.012 115.700 -0.082 0.000 2.697 323 S HA 0.362 4.812 4.470 -0.032 0.000 0.289 323 S C -2.290 172.288 174.600 -0.038 0.000 1.149 323 S CA -1.288 56.865 58.200 -0.078 0.000 0.850 323 S CB 2.978 66.101 63.200 -0.127 0.000 1.151 323 S HN -0.508 7.735 8.310 -0.112 0.000 0.491 324 Y N -5.976 114.205 120.300 -0.198 0.000 2.565 324 Y HA 0.232 4.735 4.550 -0.158 -0.048 0.330 324 Y C -2.684 173.186 175.900 -0.050 0.000 1.150 324 Y CA -0.547 57.450 58.100 -0.172 0.000 1.055 324 Y CB 2.122 40.386 38.460 -0.327 0.000 1.337 324 Y HN 0.393 8.280 8.280 -0.655 0.000 0.457 325 E N 0.186 120.406 120.200 0.033 0.000 2.789 325 E HA 0.149 4.453 4.350 -0.075 0.000 0.208 325 E C -1.295 175.397 176.600 0.155 0.000 0.988 325 E CA -1.547 54.862 56.400 0.016 0.000 1.092 325 E CB 0.512 30.198 29.700 -0.023 0.000 1.066 325 E HN 0.366 8.777 8.360 0.085 0.000 0.465 326 D N -0.599 120.005 120.400 0.340 0.000 2.326 326 D HA 0.143 4.908 4.640 0.207 0.000 0.251 326 D C -1.336 175.241 176.300 0.461 0.000 1.023 326 D CA -0.314 53.897 54.000 0.351 0.000 0.966 326 D CB 2.193 43.222 40.800 0.382 0.000 1.156 326 D HN -0.472 8.127 8.370 0.486 0.063 0.494 327 S N -0.174 115.678 115.700 0.253 0.000 2.902 327 S HA 0.258 4.833 4.470 0.174 0.000 0.250 327 S C -0.853 173.706 174.600 -0.069 0.000 1.046 327 S CA 0.678 58.949 58.200 0.117 0.000 1.069 327 S CB 0.616 63.866 63.200 0.084 0.000 0.967 327 S HN 0.296 8.712 8.310 0.176 0.000 0.530 328 T N -0.617 113.871 114.554 -0.111 0.000 4.168 328 T HA 0.095 4.279 4.350 -0.277 0.000 0.322 328 T C -2.103 172.459 174.700 -0.231 0.000 0.896 328 T CA -0.038 61.937 62.100 -0.207 0.000 0.949 328 T CB 0.182 68.993 68.868 -0.095 0.000 1.125 328 T HN -0.278 8.005 8.240 0.073 0.000 0.504 329 F N -1.940 117.932 119.950 -0.131 0.000 2.379 329 F HA 0.499 4.940 4.527 -0.260 -0.069 0.332 329 F C -0.729 174.882 175.800 -0.315 0.000 1.096 329 F CA -2.154 55.683 58.000 -0.272 0.000 1.105 329 F CB 1.261 40.050 39.000 -0.352 0.000 1.189 329 F HN -0.626 7.206 8.300 -0.781 0.000 0.515 330 D N 1.136 121.463 120.400 -0.122 0.000 2.202 330 D HA -0.060 4.516 4.640 -0.106 0.000 0.214 330 D C -0.481 175.856 176.300 0.061 0.000 0.967 330 D CA 2.548 56.534 54.000 -0.023 0.000 0.871 330 D CB 1.684 42.574 40.800 0.149 0.000 1.020 330 D HN 0.228 8.507 8.370 -0.151 0.000 0.474 331 Y N -5.929 114.203 120.300 -0.280 0.000 2.744 331 Y HA 0.293 4.596 4.550 -0.412 0.000 0.330 331 Y C -2.778 172.695 175.900 -0.711 0.000 1.263 331 Y CA -1.829 56.029 58.100 -0.404 0.000 1.065 331 Y CB 1.834 40.219 38.460 -0.125 0.000 1.306 331 Y HN -0.709 7.245 8.280 -0.543 0.000 0.459 332 F N -1.673 118.300 119.950 0.040 0.000 2.443 332 F HA 0.633 5.138 4.527 -0.310 -0.164 0.369 332 F C -1.935 173.912 175.800 0.079 0.000 1.090 332 F CA -4.080 53.843 58.000 -0.128 0.000 1.129 332 F CB 0.498 39.405 39.000 -0.155 0.000 1.367 332 F HN 0.145 8.597 8.300 0.253 0.000 0.465 333 P HA -0.078 4.758 4.420 0.394 -0.179 0.263 333 P C -0.665 176.779 177.300 0.240 0.000 1.276 333 P CA -0.474 62.810 63.100 0.307 0.000 0.986 333 P CB -0.470 31.422 31.700 0.319 0.000 1.105 334 W N 4.962 126.354 121.300 0.153 0.000 1.872 334 W HA -0.142 4.755 4.660 0.175 -0.133 0.503 334 W C -0.277 176.314 176.519 0.121 0.000 0.794 334 W CA 0.274 57.698 57.345 0.131 0.000 1.972 334 W CB -1.577 27.910 29.460 0.046 0.000 1.730 334 W HN -0.094 8.410 8.180 0.540 0.000 0.253 335 Y N 3.600 124.039 120.300 0.233 0.000 2.223 335 Y HA -0.278 4.376 4.550 0.174 0.000 0.352 335 Y C -0.109 175.956 175.900 0.274 0.000 1.293 335 Y CA 2.738 60.954 58.100 0.194 0.000 1.601 335 Y CB 1.645 40.143 38.460 0.062 0.000 1.407 335 Y HN 0.482 8.974 8.280 0.401 0.029 0.639 336 R N -2.352 118.402 120.500 0.423 0.000 2.680 336 R HA 0.473 5.088 4.340 0.245 -0.129 0.269 336 R C -2.403 174.002 176.300 0.175 0.000 1.026 336 R CA -1.198 55.054 56.100 0.253 0.000 0.889 336 R CB 4.487 34.879 30.300 0.154 0.000 1.241 336 R HN -0.109 8.466 8.270 0.508 0.000 0.463 337 Q N 2.584 122.461 119.800 0.129 0.000 2.315 337 Q HA 0.315 4.617 4.340 -0.064 0.000 0.273 337 Q C -2.535 173.535 176.000 0.117 0.000 1.053 337 Q CA -0.947 54.882 55.803 0.045 0.000 0.817 337 Q CB 4.218 32.985 28.738 0.049 0.000 1.326 337 Q HN 0.655 8.944 8.270 0.032 0.000 0.423 338 F N 4.032 123.887 119.950 -0.159 0.000 2.408 338 F HA 0.347 4.802 4.527 -0.121 0.000 0.325 338 F C -0.703 175.047 175.800 -0.084 0.000 1.082 338 F CA -2.519 55.414 58.000 -0.112 0.000 1.032 338 F CB 0.483 39.435 39.000 -0.081 0.000 1.259 338 F HN 0.403 8.824 8.300 0.202 0.000 0.503 339 P HA -0.099 4.311 4.420 -0.016 0.000 0.220 339 P C -0.110 177.235 177.300 0.076 0.000 1.148 339 P CA 0.808 63.910 63.100 0.003 0.000 0.803 339 P CB 0.374 32.050 31.700 -0.040 0.000 0.782 340 G N -0.547 108.335 108.800 0.137 0.000 2.632 340 G HA2 -0.144 3.882 3.960 0.109 0.000 0.183 340 G HA3 -0.144 3.902 3.960 0.142 0.000 0.183 340 G C -1.065 173.918 174.900 0.137 0.000 1.592 340 G CA 0.051 45.229 45.100 0.131 0.000 0.880 340 G HN 0.082 8.469 8.290 0.205 0.026 0.399 341 K N -0.261 120.219 120.400 0.134 0.000 3.302 341 K HA 0.231 4.659 4.320 0.181 0.000 0.186 341 K C -2.100 174.576 176.600 0.128 0.000 1.232 341 K CA 0.141 56.539 56.287 0.184 0.000 0.756 341 K CB 0.684 33.334 32.500 0.249 0.000 1.076 341 K HN -0.035 8.285 8.250 0.118 0.000 0.544 342 S N -1.007 114.693 115.700 0.001 0.000 2.835 342 S HA 0.333 4.863 4.470 0.098 0.000 0.140 342 S C -2.647 171.889 174.600 -0.107 0.000 1.131 342 S CA -1.333 56.868 58.200 0.002 0.000 1.110 342 S CB -0.086 63.128 63.200 0.024 0.000 1.683 342 S HN -0.017 8.271 8.310 -0.038 0.000 0.473 343 P HA 0.012 4.373 4.420 -0.151 -0.032 0.272 343 P C -2.126 175.211 177.300 0.062 0.000 1.254 343 P CA 0.103 63.014 63.100 -0.316 0.000 0.795 343 P CB 0.612 31.739 31.700 -0.955 0.000 1.022 344 A N -3.835 119.081 122.820 0.159 0.000 2.577 344 A HA 0.357 4.847 4.320 0.283 0.000 0.297 344 A C -1.912 175.738 177.584 0.109 0.000 1.060 344 A CA -0.860 51.286 52.037 0.181 0.000 0.697 344 A CB 2.606 21.607 19.000 0.002 0.000 1.281 344 A HN 0.026 8.150 8.150 0.136 0.107 0.402 345 L N 1.213 122.347 121.223 -0.149 0.000 2.416 345 L HA -0.112 3.504 4.340 -1.208 0.000 0.272 345 L C -0.582 176.136 176.870 -0.253 0.000 1.161 345 L CA 0.840 55.238 54.840 -0.737 0.000 0.845 345 L CB 0.471 41.946 42.059 -0.974 0.000 1.119 345 L HN 0.354 8.561 8.230 -0.039 0.000 0.464 346 L N 4.723 125.869 121.223 -0.130 0.000 2.208 346 L HA 0.123 4.497 4.340 0.056 0.000 0.196 346 L C 0.329 177.242 176.870 0.073 0.000 1.130 346 L CA 0.950 55.817 54.840 0.046 0.000 0.791 346 L CB 1.189 43.322 42.059 0.123 0.000 0.969 346 L HN -0.093 8.038 8.230 -0.165 0.000 0.468 347 I N -9.794 110.850 120.570 0.124 0.000 3.560 347 I HA 0.263 4.479 4.170 0.076 0.000 0.308 347 I C -2.456 173.771 176.117 0.183 0.000 1.202 347 I CA -2.053 59.332 61.300 0.142 0.000 1.023 347 I CB 1.940 40.075 38.000 0.225 0.000 1.347 347 I HN -0.764 7.546 8.210 0.165 0.000 0.467 348 A N -1.001 121.930 122.820 0.184 0.000 2.466 348 A HA 0.456 5.027 4.320 0.418 0.000 0.284 348 A C -0.750 176.976 177.584 0.237 0.000 1.049 348 A CA -0.564 51.630 52.037 0.262 0.000 0.760 348 A CB 1.340 20.367 19.000 0.046 0.000 1.274 348 A HN -0.050 8.183 8.150 0.139 0.000 0.412 349 I N -0.891 119.893 120.570 0.357 0.000 4.062 349 I HA 0.151 4.431 4.170 0.184 0.000 0.202 349 I C -0.682 175.584 176.117 0.250 0.000 1.549 349 I CA -1.034 60.433 61.300 0.279 0.000 0.826 349 I CB 0.930 39.150 38.000 0.367 0.000 1.835 349 I HN -0.292 8.212 8.210 0.490 0.000 0.851 350 S N -2.285 113.555 115.700 0.232 0.000 2.284 350 S HA -0.082 4.498 4.470 0.184 0.000 0.213 350 S C -1.094 173.604 174.600 0.163 0.000 0.861 350 S CA 0.253 58.558 58.200 0.174 0.000 1.663 350 S CB 1.301 64.550 63.200 0.083 0.000 1.253 350 S HN 0.080 8.533 8.310 0.238 0.000 0.584 351 L N 0.638 121.945 121.223 0.139 0.000 3.550 351 L HA -0.203 4.094 4.340 -0.073 0.000 0.523 351 L C -1.109 175.663 176.870 -0.163 0.000 1.312 351 L CA 0.517 55.346 54.840 -0.018 0.000 0.864 351 L CB -0.119 42.014 42.059 0.124 0.000 1.592 351 L HN -0.252 8.078 8.230 0.167 0.000 0.859 352 V N -2.062 117.774 119.914 -0.129 0.000 3.330 352 V HA 0.243 4.267 4.120 -0.160 0.000 0.309 352 V C -1.004 175.015 176.094 -0.126 0.000 1.481 352 V CA -0.067 62.155 62.300 -0.129 0.000 1.068 352 V CB 0.476 32.262 31.823 -0.061 0.000 0.935 352 V HN -0.072 8.073 8.190 -0.076 0.000 0.453 353 S N 0.400 116.017 115.700 -0.139 0.000 2.546 353 S HA 0.252 4.680 4.470 -0.070 0.000 0.274 353 S C -0.398 174.162 174.600 -0.067 0.000 1.121 353 S CA -0.649 57.498 58.200 -0.088 0.000 0.887 353 S CB 2.024 65.184 63.200 -0.067 0.000 1.094 353 S HN -0.574 7.637 8.310 -0.165 0.000 0.474 354 N N 1.650 120.347 118.700 -0.005 0.000 2.192 354 N HA -0.267 4.609 4.740 0.227 0.000 0.188 354 N C -1.307 174.209 175.510 0.009 0.000 1.013 354 N CA 1.900 55.003 53.050 0.089 0.000 0.863 354 N CB 0.687 39.217 38.487 0.072 0.000 0.990 354 N HN 0.285 8.660 8.380 -0.009 0.000 0.430 355 K N -9.374 110.957 120.400 -0.115 0.000 2.607 355 K HA 0.496 4.800 4.320 -0.288 -0.156 0.287 355 K C -1.546 174.926 176.600 -0.214 0.000 0.996 355 K CA -1.132 54.978 56.287 -0.295 0.000 0.876 355 K CB 2.932 35.085 32.500 -0.578 0.000 1.496 355 K HN -0.781 7.385 8.250 -0.092 0.029 0.415 356 K N -1.811 118.457 120.400 -0.219 0.000 2.495 356 K HA 0.345 4.583 4.320 -0.136 0.000 0.268 356 K C -2.407 174.091 176.600 -0.170 0.000 1.008 356 K CA -1.158 55.043 56.287 -0.143 0.000 0.882 356 K CB 4.929 37.393 32.500 -0.061 0.000 1.443 356 K HN 0.203 8.285 8.250 -0.280 0.000 0.447 357 E N -0.570 119.521 120.200 -0.183 0.000 2.406 357 E HA 0.523 4.856 4.350 -0.350 -0.193 0.297 357 E C -2.138 174.228 176.600 -0.391 0.000 0.917 357 E CA -0.593 55.624 56.400 -0.304 0.000 0.795 357 E CB 2.786 32.336 29.700 -0.250 0.000 1.285 357 E HN 0.073 8.342 8.360 -0.152 0.000 0.400 358 D N 5.095 125.056 120.400 -0.732 0.000 2.454 358 D HA 0.258 4.709 4.640 -0.314 0.000 0.247 358 D C -0.561 175.293 176.300 -0.743 0.000 1.129 358 D CA -0.199 53.470 54.000 -0.552 0.000 0.877 358 D CB 1.536 42.203 40.800 -0.221 0.000 1.082 358 D HN -0.250 7.373 8.370 -1.246 0.000 0.537 362 F N 0.993 120.913 119.950 -0.049 0.000 2.506 362 F HA 0.329 4.974 4.527 -0.033 -0.138 0.351 362 F C -0.600 175.152 175.800 -0.081 0.000 1.136 362 F CA -1.034 56.922 58.000 -0.073 0.000 1.298 362 F CB 0.204 39.110 39.000 -0.155 0.000 1.145 362 F HN -0.288 7.873 8.300 -0.230 0.000 0.593 363 T N 1.584 116.227 114.554 0.148 0.000 2.930 363 T HA 0.711 5.148 4.350 -0.093 -0.143 0.290 363 T C -1.195 173.588 174.700 0.137 0.000 1.052 363 T CA -2.787 59.334 62.100 0.034 0.000 1.017 363 T CB 2.571 71.423 68.868 -0.025 0.000 1.137 363 T HN -0.209 8.176 8.240 0.241 0.000 0.511 364 I N -0.414 120.142 120.570 -0.023 0.000 2.740 364 I HA 0.437 4.833 4.170 0.215 -0.096 0.303 364 I C -1.834 174.229 176.117 -0.091 0.000 1.044 364 I CA -2.700 58.639 61.300 0.066 0.000 1.064 364 I CB 1.919 39.934 38.000 0.025 0.000 1.249 364 I HN 0.693 8.700 8.210 -0.141 0.118 0.433 365 F N 0.701 120.738 119.950 0.145 0.000 2.593 365 F HA 0.453 5.210 4.527 0.161 -0.133 0.320 365 F C -0.993 174.959 175.800 0.254 0.000 1.060 365 F CA -1.543 56.561 58.000 0.174 0.000 0.940 365 F CB 4.958 44.055 39.000 0.162 0.000 1.268 365 F HN 0.697 9.159 8.300 0.455 0.111 0.475 366 F N 2.203 122.293 119.950 0.234 0.000 2.375 366 F HA 0.317 4.943 4.527 0.165 0.000 0.361 366 F C -1.890 174.009 175.800 0.164 0.000 1.117 366 F CA -1.908 56.194 58.000 0.170 0.000 1.037 366 F CB 1.516 40.590 39.000 0.123 0.000 1.192 366 F HN -0.196 8.394 8.300 0.483 0.000 0.452 367 N N 9.372 127.929 118.700 -0.239 0.000 2.462 367 N HA 0.187 4.791 4.740 -0.228 0.000 0.242 367 N C 0.119 175.286 175.510 -0.572 0.000 1.010 367 N CA 0.021 52.886 53.050 -0.308 0.000 0.939 367 N CB 1.191 39.616 38.487 -0.103 0.000 1.127 367 N HN 0.058 8.433 8.380 -0.008 0.000 0.509 368 K N 4.507 124.532 120.400 -0.625 0.000 2.044 368 K HA -0.208 3.763 4.320 -0.583 0.000 0.204 368 K C 1.467 177.942 176.600 -0.208 0.000 1.049 368 K CA 2.757 58.759 56.287 -0.475 0.000 0.945 368 K CB -0.136 32.172 32.500 -0.320 0.000 0.724 368 K HN 0.313 8.263 8.250 -0.501 0.000 0.440 369 R N -0.470 119.937 120.500 -0.155 0.000 2.159 369 R HA -0.253 4.044 4.340 -0.071 0.000 0.237 369 R C 0.714 176.960 176.300 -0.089 0.000 1.131 369 R CA 2.425 58.469 56.100 -0.093 0.000 0.982 369 R CB -0.388 29.867 30.300 -0.075 0.000 0.868 369 R HN 0.142 8.313 8.270 -0.167 0.000 0.453 370 E N -4.467 115.667 120.200 -0.109 0.000 2.465 370 E HA 0.016 4.318 4.350 -0.080 0.000 0.209 370 E C -1.297 175.245 176.600 -0.097 0.000 0.951 370 E CA -0.527 55.819 56.400 -0.091 0.000 0.997 370 E CB 0.509 30.162 29.700 -0.079 0.000 1.025 370 E HN -0.182 8.060 8.360 -0.142 0.033 0.500 371 K N -1.857 118.477 120.400 -0.111 0.000 3.096 371 K HA -0.394 3.957 4.320 -0.001 -0.032 0.266 371 K C -2.034 174.572 176.600 0.009 0.000 1.043 371 K CA 1.105 57.367 56.287 -0.042 0.000 0.758 371 K CB -1.858 30.595 32.500 -0.079 0.000 1.260 371 K HN -0.033 7.912 8.250 -0.163 0.207 0.481 372 K N -4.918 115.503 120.400 0.034 0.000 2.480 372 K HA 0.439 4.883 4.320 0.134 -0.044 0.258 372 K C -1.925 174.771 176.600 0.161 0.000 0.990 372 K CA -1.808 54.532 56.287 0.089 0.000 0.857 372 K CB 4.411 36.912 32.500 0.001 0.000 1.384 372 K HN -0.732 7.499 8.250 -0.032 0.000 0.446 373 L N 0.873 122.196 121.223 0.167 0.000 2.265 373 L HA 0.457 5.122 4.340 0.291 -0.150 0.289 373 L C -0.700 176.292 176.870 0.202 0.000 1.033 373 L CA -0.671 54.306 54.840 0.228 0.000 0.814 373 L CB 1.234 43.426 42.059 0.221 0.000 1.203 373 L HN 0.089 8.390 8.230 0.118 0.000 0.423 374 S N 4.655 120.475 115.700 0.199 0.000 2.449 374 S HA 0.623 5.315 4.470 0.063 -0.184 0.310 374 S C -1.097 173.601 174.600 0.165 0.000 1.096 374 S CA -0.383 57.883 58.200 0.110 0.000 1.095 374 S CB 1.491 64.719 63.200 0.046 0.000 1.007 374 S HN -0.160 8.304 8.310 0.258 0.000 0.474 375 L N 1.151 122.369 121.223 -0.008 0.000 2.271 375 L HA 0.871 5.537 4.340 0.403 -0.084 0.265 375 L C -1.440 175.332 176.870 -0.164 0.000 1.013 375 L CA -1.882 52.990 54.840 0.054 0.000 0.820 375 L CB 3.393 45.315 42.059 -0.228 0.000 1.352 375 L HN 0.692 8.759 8.230 -0.090 0.109 0.443 376 H N -0.810 118.293 119.070 0.055 0.000 2.727 376 H HA 0.365 5.047 4.556 -0.034 -0.147 0.330 376 H C -1.638 173.691 175.328 0.001 0.000 0.986 376 H CA -0.821 55.236 56.048 0.016 0.000 1.251 376 H CB 2.503 32.312 29.762 0.078 0.000 1.493 376 H HN 0.379 8.866 8.280 0.344 0.000 0.515 377 I N 6.197 126.763 120.570 -0.006 0.000 2.282 377 I HA 0.161 4.359 4.170 0.048 0.000 0.290 377 I C -1.595 174.554 176.117 0.052 0.000 1.090 377 I CA -2.178 59.115 61.300 -0.011 0.000 1.231 377 I CB 0.581 38.482 38.000 -0.164 0.000 1.434 377 I HN 0.249 8.301 8.210 -0.082 0.109 0.487 378 T N 8.985 123.594 114.554 0.092 0.000 2.912 378 T HA 0.102 4.493 4.350 0.069 0.000 0.280 378 T C -0.586 174.162 174.700 0.080 0.000 0.989 378 T CA -0.809 61.338 62.100 0.078 0.000 0.995 378 T CB 1.168 70.080 68.868 0.073 0.000 1.077 378 T HN -0.036 8.275 8.240 0.119 0.000 0.531 379 D N 1.663 122.105 120.400 0.070 0.000 3.133 379 D HA -0.315 4.365 4.640 0.067 0.000 0.239 379 D C -0.954 175.399 176.300 0.087 0.000 1.136 379 D CA 1.298 55.342 54.000 0.073 0.000 0.898 379 D CB -0.411 40.430 40.800 0.068 0.000 0.959 379 D HN 0.198 8.606 8.370 0.063 0.000 0.415 380 S N 1.442 117.193 115.700 0.086 0.000 2.745 380 S HA 0.217 4.752 4.470 0.108 0.000 0.292 380 S C -1.616 173.034 174.600 0.084 0.000 1.133 380 S CA 0.575 58.830 58.200 0.093 0.000 0.998 380 S CB 2.819 66.071 63.200 0.087 0.000 1.087 380 S HN -0.405 7.954 8.310 0.081 0.000 0.551 381 Q N -0.023 119.824 119.800 0.078 0.000 2.484 381 Q HA 0.596 4.975 4.340 0.065 0.000 0.285 381 Q C -2.356 173.669 176.000 0.042 0.000 1.097 381 Q CA -2.781 53.061 55.803 0.065 0.000 0.802 381 Q CB 2.419 31.204 28.738 0.078 0.000 1.444 381 Q HN 0.255 8.573 8.270 0.080 0.000 0.429 382 P HA -0.026 4.401 4.420 0.012 0.000 0.310 382 P C -0.205 177.092 177.300 -0.005 0.000 1.309 382 P CA -0.010 63.099 63.100 0.015 0.000 0.753 382 P CB 0.400 32.111 31.700 0.019 0.000 1.491 383 G N -2.293 106.497 108.800 -0.016 0.000 2.289 383 G HA2 -0.379 3.567 3.960 -0.023 0.000 0.280 383 G HA3 -0.379 3.568 3.960 -0.021 0.000 0.280 383 G C -0.404 174.434 174.900 -0.104 0.000 1.089 383 G CA 0.195 45.273 45.100 -0.038 0.000 0.939 383 G HN 0.278 8.562 8.290 -0.010 0.000 0.499 384 D N -2.854 117.495 120.400 -0.085 0.000 2.955 384 D HA -0.474 4.120 4.640 -0.078 0.000 0.226 384 D C 0.198 176.402 176.300 -0.160 0.000 1.178 384 D CA 1.372 55.305 54.000 -0.112 0.000 0.808 384 D CB 0.145 40.867 40.800 -0.130 0.000 1.099 384 D HN 0.002 8.340 8.370 -0.054 0.000 0.421 385 S N -3.823 111.797 115.700 -0.133 0.000 4.158 385 S HA -0.548 4.031 4.470 -0.070 -0.151 0.538 385 S C -1.570 172.830 174.600 -0.333 0.000 1.794 385 S CA 2.604 60.727 58.200 -0.128 0.000 4.172 385 S CB -0.119 63.059 63.200 -0.036 0.000 0.768 385 S HN -0.065 8.039 8.310 -0.090 0.151 0.455 386 A N -0.472 122.143 122.820 -0.343 0.000 2.549 386 A HA 0.111 3.948 4.320 -0.805 0.000 0.297 386 A C -2.515 174.748 177.584 -0.535 0.000 0.983 386 A CA -0.194 51.466 52.037 -0.629 0.000 0.654 386 A CB 2.219 20.803 19.000 -0.694 0.000 1.319 386 A HN -0.523 7.512 8.150 -0.192 0.000 0.428 387 T N -1.304 112.922 114.554 -0.548 0.000 2.770 387 T HA 0.818 5.135 4.350 -0.289 -0.140 0.283 387 T C -0.801 173.589 174.700 -0.517 0.000 0.988 387 T CA -1.736 60.111 62.100 -0.422 0.000 0.957 387 T CB 1.565 70.265 68.868 -0.280 0.000 0.930 387 T HN -0.055 7.880 8.240 -0.509 0.000 0.443 388 Y N 4.383 124.593 120.300 -0.150 0.000 2.387 388 Y HA 0.182 4.931 4.550 0.160 -0.103 0.330 388 Y C -1.111 174.633 175.900 -0.259 0.000 1.133 388 Y CA -1.500 56.609 58.100 0.015 0.000 1.152 388 Y CB 2.685 41.282 38.460 0.229 0.000 1.215 388 Y HN -0.027 8.297 8.280 0.073 0.000 0.466 389 F N 0.059 120.086 119.950 0.130 0.000 2.467 389 F HA 0.358 4.838 4.527 -0.078 0.000 0.336 389 F C -1.530 174.105 175.800 -0.274 0.000 1.123 389 F CA -0.989 56.976 58.000 -0.059 0.000 0.964 389 F CB 3.449 42.417 39.000 -0.054 0.000 1.136 389 F HN 0.255 8.728 8.300 0.484 0.118 0.447 390 c N 6.484 124.865 118.600 -0.366 0.000 2.146 390 c HA 0.157 4.053 4.570 -1.123 0.000 0.338 390 c C -1.497 172.424 174.090 -0.281 0.000 1.074 390 c CA -2.136 53.744 56.329 -0.748 0.000 1.527 390 c CB -1.825 40.089 42.510 -0.992 0.000 1.915 390 c HN 0.656 8.723 8.230 -0.271 0.000 0.453 391 A N 6.673 129.428 122.820 -0.108 0.000 2.284 391 A HA 0.917 5.399 4.320 0.024 -0.148 0.317 391 A C -2.272 175.338 177.584 0.043 0.000 1.120 391 A CA -1.876 50.172 52.037 0.018 0.000 0.900 391 A CB 3.031 22.081 19.000 0.083 0.000 1.319 391 A HN -0.453 7.637 8.150 -0.099 0.000 0.494 392 A N -4.255 118.555 122.820 -0.018 0.000 2.594 392 A HA 0.987 5.252 4.320 -0.389 -0.178 0.291 392 A C -1.592 175.819 177.584 -0.288 0.000 1.105 392 A CA -1.316 50.598 52.037 -0.204 0.000 0.694 392 A CB 3.407 22.382 19.000 -0.041 0.000 1.291 392 A HN 0.430 8.516 8.150 -0.020 0.052 0.410 400 S N 0.306 115.868 115.700 -0.231 0.000 2.874 400 S HA 0.092 4.301 4.470 -0.436 0.000 0.318 400 S C -1.607 172.778 174.600 -0.358 0.000 1.109 400 S CA -0.544 57.468 58.200 -0.313 0.000 0.878 400 S CB 1.856 64.976 63.200 -0.134 0.000 1.307 400 S HN -0.581 7.559 8.310 -0.170 0.069 0.592 401 F N 0.712 120.656 119.950 -0.011 0.000 2.421 401 F HA 0.067 4.609 4.527 0.024 0.000 0.337 401 F C -0.278 175.468 175.800 -0.090 0.000 1.105 401 F CA -0.547 57.449 58.000 -0.007 0.000 1.049 401 F CB 1.035 40.043 39.000 0.014 0.000 1.139 401 F HN -0.064 8.222 8.300 -0.023 0.000 0.479 402 N N 0.194 118.999 118.700 0.175 0.000 2.708 402 N HA -0.432 4.447 4.740 0.231 0.000 0.251 402 N C -0.761 174.610 175.510 -0.232 0.000 1.017 402 N CA 1.423 54.407 53.050 -0.109 0.000 0.742 402 N CB -0.895 37.100 38.487 -0.820 0.000 0.943 402 N HN 0.465 9.060 8.380 0.358 0.000 0.539 403 K N -3.351 117.024 120.400 -0.041 0.000 2.312 403 K HA 0.092 4.378 4.320 -0.057 0.000 0.206 403 K C -0.387 176.264 176.600 0.086 0.000 1.121 403 K CA -0.613 55.660 56.287 -0.023 0.000 0.923 403 K CB 1.403 33.879 32.500 -0.041 0.000 1.162 403 K HN -0.116 8.138 8.250 0.022 0.009 0.478 404 L N -0.182 121.077 121.223 0.061 0.000 3.592 404 L HA -0.342 4.175 4.340 -0.014 -0.186 0.633 404 L C -0.821 176.109 176.870 0.100 0.000 1.071 404 L CA 0.466 55.359 54.840 0.089 0.000 1.090 404 L CB -0.987 41.205 42.059 0.220 0.000 1.328 404 L HN -0.042 8.196 8.230 0.013 0.000 0.786 405 T N 5.193 119.719 114.554 -0.047 0.000 2.736 405 T HA -0.169 3.963 4.350 -0.364 0.000 0.275 405 T C -0.391 174.222 174.700 -0.144 0.000 0.962 405 T CA 2.559 64.546 62.100 -0.189 0.000 1.214 405 T CB -0.248 68.549 68.868 -0.117 0.000 0.904 405 T HN 0.150 8.285 8.240 -0.064 0.066 0.529 406 F N 5.889 125.844 119.950 0.008 0.000 2.544 406 F HA 0.322 4.836 4.527 -0.021 0.000 0.378 406 F C -1.218 174.599 175.800 0.028 0.000 1.112 406 F CA -2.640 55.360 58.000 0.001 0.000 1.115 406 F CB 1.555 40.543 39.000 -0.021 0.000 1.436 406 F HN -0.570 6.980 8.300 -1.250 0.000 0.496 407 G N -5.182 103.902 108.800 0.473 0.000 2.827 407 G HA2 0.199 4.309 3.960 0.250 0.000 0.296 407 G HA3 0.199 4.240 3.960 0.135 0.000 0.296 407 G C -1.146 173.991 174.900 0.395 0.000 1.362 407 G CA -0.978 44.306 45.100 0.307 0.000 0.809 407 G HN -0.373 8.252 8.290 0.559 0.000 0.522 408 A N 0.485 123.444 122.820 0.231 0.000 2.125 408 A HA -0.066 4.589 4.320 0.279 -0.167 0.219 408 A C 0.637 178.248 177.584 0.045 0.000 1.156 408 A CA 1.123 53.272 52.037 0.186 0.000 0.671 408 A CB 0.245 19.293 19.000 0.079 0.000 0.794 408 A HN 0.564 8.806 8.150 0.154 0.000 0.459 409 G N -2.268 106.468 108.800 -0.106 0.000 2.787 409 G HA2 -0.323 3.426 3.960 -0.532 0.000 0.685 409 G HA3 -0.323 2.648 3.960 -1.649 0.000 0.685 409 G C -0.935 173.695 174.900 -0.450 0.000 1.437 409 G CA -0.490 44.212 45.100 -0.663 0.000 0.872 409 G HN -0.607 7.632 8.290 0.004 0.054 0.566 410 T N 2.112 116.424 114.554 -0.404 0.000 2.867 410 T HA 0.069 4.333 4.350 -0.143 0.000 0.282 410 T C -1.250 173.343 174.700 -0.177 0.000 1.000 410 T CA -0.368 61.627 62.100 -0.174 0.000 1.042 410 T CB 1.745 70.603 68.868 -0.016 0.000 0.973 410 T HN 0.450 8.406 8.240 -0.473 0.000 0.465 411 R N 5.053 125.481 120.500 -0.119 0.000 2.423 411 R HA 0.147 4.396 4.340 -0.152 0.000 0.293 411 R C -1.712 174.556 176.300 -0.052 0.000 1.196 411 R CA -0.613 55.422 56.100 -0.109 0.000 1.262 411 R CB 0.156 30.397 30.300 -0.098 0.000 1.116 411 R HN 0.470 8.774 8.270 -0.094 -0.090 0.566 412 L N 3.923 125.136 121.223 -0.016 0.000 2.349 412 L HA 0.249 4.707 4.340 0.015 -0.109 0.275 412 L C -1.288 175.569 176.870 -0.021 0.000 1.115 412 L CA -0.675 54.177 54.840 0.020 0.000 0.820 412 L CB 0.540 42.672 42.059 0.122 0.000 1.135 412 L HN -0.391 7.833 8.230 -0.011 0.000 0.445 413 A N 3.656 126.470 122.820 -0.011 0.000 2.498 413 A HA 0.401 4.749 4.320 -0.051 -0.058 0.298 413 A C -2.358 175.227 177.584 0.002 0.000 1.075 413 A CA -1.329 50.693 52.037 -0.026 0.000 0.714 413 A CB 3.879 22.860 19.000 -0.033 0.000 1.299 413 A HN 0.469 8.622 8.150 0.005 0.000 0.407 414 V N 0.314 120.226 119.914 -0.005 0.000 2.581 414 V HA 0.608 4.965 4.120 0.043 -0.211 0.303 414 V C -0.029 176.056 176.094 -0.014 0.000 1.041 414 V CA -2.583 59.726 62.300 0.016 0.000 0.907 414 V CB 2.897 34.735 31.823 0.026 0.000 0.994 414 V HN 0.222 8.398 8.190 -0.024 0.000 0.442 415 S N 6.055 121.732 115.700 -0.038 0.000 2.672 415 S HA 0.262 4.687 4.470 -0.075 0.000 0.276 415 S C -0.781 173.771 174.600 -0.080 0.000 1.207 415 S CA -1.705 56.436 58.200 -0.098 0.000 1.002 415 S CB 0.304 63.374 63.200 -0.216 0.000 0.998 415 S HN -0.355 7.943 8.310 -0.019 0.000 0.542 416 P HA -0.039 4.381 4.420 -0.001 0.000 0.212 416 P C -1.083 176.249 177.300 0.054 0.000 1.180 416 P CA 1.489 64.581 63.100 -0.013 0.000 0.906 416 P CB 0.367 32.058 31.700 -0.014 0.000 0.782 417 Y N 0.000 120.166 120.300 -0.224 0.000 2.660 417 Y HA 0.000 4.395 4.550 -0.258 0.000 0.201 417 Y CA 0.000 57.935 58.100 -0.274 0.000 1.940 417 Y CB 0.000 38.368 38.460 -0.154 0.000 1.050 417 Y HN 0.000 8.230 8.280 -0.083 0.000 0.758