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 1qze_1_A DATA FIRST_RESID 1 DATA SEQUENCE SAVTITLKTL QQQTFKIRME PDETVKVLKE KIEAEKGRDA FPVAGQKLIY DATA SEQUENCE AGKILSDDVP IRDYRIDEKN FVVVMVTXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXG SEYETMLTEI MSMGYERERV VAALRASYNN PHRAVEYLLT DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XLEFLRDQPQ FQNMRQVIQQ DATA SEQUENCE NPALLPALLQ QLGQENPQLL QQISRHQEQF IQMXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXTPQE KEAIERLKAL GFPESLVIQA YFACEKNENL DATA SEQUENCE AANFLLSQNF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 4.471 4.470 0.002 0.000 0.327 1 S C 0.000 174.602 174.600 0.003 0.000 1.055 1 S CA 0.000 58.201 58.200 0.002 0.000 1.107 1 S CB 0.000 63.200 63.200 0.001 0.000 0.593 2 A N 3.572 126.395 122.820 0.004 0.000 2.583 2 A HA 0.616 4.940 4.320 0.007 0.000 0.289 2 A C -2.627 174.961 177.584 0.006 0.000 1.151 2 A CA -0.846 51.195 52.037 0.006 0.000 0.695 2 A CB 3.139 22.143 19.000 0.007 0.000 1.290 2 A HN -0.174 7.979 8.150 0.004 0.000 0.419 3 V N -1.398 118.521 119.914 0.008 0.000 2.859 3 V HA 0.098 4.221 4.120 0.006 0.000 0.276 3 V C -1.856 174.244 176.094 0.009 0.000 1.496 3 V CA -0.262 62.042 62.300 0.006 0.000 0.929 3 V CB 3.209 35.032 31.823 0.001 0.000 1.147 3 V HN 0.470 8.666 8.190 0.010 0.000 0.449 4 T N 10.465 125.027 114.554 0.012 0.000 2.769 4 T HA 0.085 4.616 4.350 0.028 -0.164 0.293 4 T C -0.801 173.906 174.700 0.012 0.000 0.931 4 T CA 1.126 63.238 62.100 0.020 0.000 1.139 4 T CB -0.037 68.845 68.868 0.023 0.000 0.881 4 T HN 0.097 8.343 8.240 0.011 0.000 0.532 5 I N 8.933 129.513 120.570 0.017 0.000 2.321 5 I HA 0.153 4.304 4.170 -0.031 0.000 0.291 5 I C -0.553 175.565 176.117 0.001 0.000 0.998 5 I CA -3.634 57.662 61.300 -0.006 0.000 1.227 5 I CB -0.556 37.442 38.000 -0.005 0.000 1.368 5 I HN 0.901 9.001 8.210 0.033 0.129 0.466 6 T N 9.741 124.282 114.554 -0.022 0.000 2.814 6 T HA 0.057 4.536 4.350 -0.051 -0.159 0.297 6 T C -0.896 173.734 174.700 -0.117 0.000 0.956 6 T CA -0.338 61.735 62.100 -0.045 0.000 1.123 6 T CB 0.036 68.915 68.868 0.020 0.000 0.902 6 T HN 0.441 8.665 8.240 -0.028 0.000 0.528 7 L N 6.698 127.708 121.223 -0.356 0.000 2.319 7 L HA 0.228 4.465 4.340 -0.172 0.000 0.281 7 L C -1.763 174.621 176.870 -0.811 0.000 1.005 7 L CA -1.440 53.124 54.840 -0.460 0.000 0.828 7 L CB 1.781 43.683 42.059 -0.263 0.000 1.227 7 L HN -0.116 7.823 8.230 -0.485 0.000 0.415 8 K N 5.051 125.282 120.400 -0.282 0.000 2.138 8 K HA 0.334 4.417 4.320 -0.395 0.000 0.263 8 K C -1.453 175.129 176.600 -0.029 0.000 0.965 8 K CA -2.731 53.421 56.287 -0.225 0.000 0.868 8 K CB 2.853 35.307 32.500 -0.078 0.000 1.083 8 K HN 0.746 8.839 8.250 -0.058 0.122 0.443 9 T N -0.350 114.244 114.554 0.066 0.000 2.855 9 T HA 0.512 5.136 4.350 0.154 -0.182 0.281 9 T C 1.428 176.185 174.700 0.094 0.000 1.007 9 T CA -2.423 59.793 62.100 0.192 0.000 1.009 9 T CB 2.740 71.929 68.868 0.535 0.000 0.983 9 T HN -0.457 7.797 8.240 0.023 0.000 0.455 10 L N 3.333 124.581 121.223 0.041 0.000 2.197 10 L HA -0.434 3.918 4.340 0.021 0.000 0.215 10 L C 0.518 177.409 176.870 0.035 0.000 1.095 10 L CA 2.887 57.739 54.840 0.019 0.000 0.764 10 L CB -0.171 41.878 42.059 -0.016 0.000 0.897 10 L HN 0.092 8.326 8.230 0.008 0.000 0.436 11 Q N -3.602 116.246 119.800 0.079 0.000 2.541 11 Q HA -0.154 4.224 4.340 0.063 0.000 0.215 11 Q C -0.065 175.973 176.000 0.063 0.000 0.977 11 Q CA 1.095 56.953 55.803 0.091 0.000 0.934 11 Q CB -0.101 28.744 28.738 0.178 0.000 0.988 11 Q HN -0.175 8.123 8.270 0.111 0.039 0.521 12 Q N -4.966 114.857 119.800 0.038 0.000 2.488 12 Q HA -0.363 3.938 4.340 -0.064 0.000 0.279 12 Q C -1.571 174.429 176.000 -0.001 0.000 1.174 12 Q CA 1.213 57.007 55.803 -0.015 0.000 0.888 12 Q CB -1.697 27.032 28.738 -0.015 0.000 1.254 12 Q HN 0.384 8.465 8.270 0.045 0.216 0.475 13 Q N -2.027 117.808 119.800 0.058 0.000 2.464 13 Q HA 0.280 4.653 4.340 0.055 0.000 0.256 13 Q C -1.456 174.629 176.000 0.141 0.000 1.020 13 Q CA -0.680 55.186 55.803 0.105 0.000 0.716 13 Q CB 2.323 31.157 28.738 0.161 0.000 1.230 13 Q HN -0.465 7.861 8.270 0.094 0.000 0.494 14 T N 4.984 119.529 114.554 -0.013 0.000 2.910 14 T HA 0.705 4.859 4.350 -0.622 -0.177 0.279 14 T C -0.570 174.089 174.700 -0.068 0.000 0.989 14 T CA -1.529 60.395 62.100 -0.292 0.000 0.968 14 T CB 1.242 69.904 68.868 -0.343 0.000 1.135 14 T HN 0.220 8.434 8.240 -0.043 0.000 0.562 15 F N -2.465 117.487 119.950 0.002 0.000 3.811 15 F HA 0.435 4.956 4.527 -0.010 0.000 0.331 15 F C -2.448 173.362 175.800 0.017 0.000 1.135 15 F CA -1.131 56.868 58.000 -0.001 0.000 0.872 15 F CB 0.831 39.822 39.000 -0.014 0.000 1.682 15 F HN -0.298 7.339 8.300 -1.104 0.000 0.518 16 K N -0.346 120.239 120.400 0.308 0.000 2.731 16 K HA 0.322 4.823 4.320 0.083 -0.131 0.257 16 K C -1.183 175.531 176.600 0.190 0.000 1.032 16 K CA -0.421 55.962 56.287 0.160 0.000 0.983 16 K CB 2.197 34.751 32.500 0.091 0.000 1.248 16 K HN 0.039 8.544 8.250 0.425 0.000 0.484 17 I N 2.160 122.849 120.570 0.199 0.000 3.468 17 I HA 0.080 4.325 4.170 0.126 0.000 0.299 17 I C -0.246 175.918 176.117 0.079 0.000 1.141 17 I CA -0.945 60.441 61.300 0.143 0.000 0.950 17 I CB 1.497 39.601 38.000 0.174 0.000 1.522 17 I HN 0.595 8.920 8.210 0.191 0.000 0.699 18 R N -0.684 119.850 120.500 0.057 0.000 3.062 18 R HA 0.076 4.694 4.340 0.032 -0.259 0.161 18 R C -0.274 176.042 176.300 0.028 0.000 0.778 18 R CA 0.294 56.415 56.100 0.035 0.000 1.168 18 R CB 2.160 32.477 30.300 0.029 0.000 1.618 18 R HN 0.384 8.688 8.270 0.057 0.000 0.566 19 M N -4.152 115.465 119.600 0.028 0.000 7.319 19 M HA -0.393 4.099 4.480 0.020 0.000 0.081 19 M C -2.503 173.807 176.300 0.017 0.000 0.480 19 M CA 1.893 57.207 55.300 0.023 0.000 1.311 19 M CB -0.690 31.927 32.600 0.029 0.000 0.421 19 M HN -0.224 8.085 8.290 0.031 0.000 0.158 20 E N -2.124 118.084 120.200 0.015 0.000 2.227 20 E HA 0.458 4.813 4.350 0.008 0.000 0.268 20 E C -1.118 175.487 176.600 0.009 0.000 0.907 20 E CA -3.195 53.211 56.400 0.010 0.000 0.786 20 E CB 1.122 30.826 29.700 0.008 0.000 1.191 20 E HN 0.078 8.448 8.360 0.017 0.000 0.411 21 P HA -0.024 4.397 4.420 0.002 0.000 0.232 21 P C -1.931 175.369 177.300 0.001 0.000 1.738 21 P CA 0.366 63.468 63.100 0.002 0.000 0.948 21 P CB -1.599 30.102 31.700 0.000 0.000 1.943 22 D N -4.981 115.421 120.400 0.004 0.000 1.675 22 D HA -0.135 4.502 4.640 -0.005 0.000 0.756 22 D C -0.582 175.722 176.300 0.006 0.000 0.603 22 D CA 0.508 54.508 54.000 -0.000 0.000 1.278 22 D CB 0.461 41.260 40.800 -0.003 0.000 1.227 22 D HN 0.085 8.374 8.370 0.008 0.086 0.412 23 E N 2.594 122.801 120.200 0.011 0.000 2.652 23 E HA -0.233 4.125 4.350 0.012 0.000 0.255 23 E C -0.162 176.452 176.600 0.024 0.000 0.952 23 E CA 0.690 57.099 56.400 0.016 0.000 0.947 23 E CB 0.282 29.994 29.700 0.020 0.000 0.912 23 E HN -0.697 7.669 8.360 0.011 0.000 0.489 24 T N 2.743 117.310 114.554 0.022 0.000 2.923 24 T HA -0.326 4.139 4.350 0.029 -0.097 0.304 24 T C 0.879 175.608 174.700 0.048 0.000 1.044 24 T CA 0.775 62.894 62.100 0.031 0.000 1.141 24 T CB 0.391 69.274 68.868 0.026 0.000 1.023 24 T HN 0.273 8.523 8.240 0.017 0.000 0.533 25 V N 4.368 124.325 119.914 0.072 0.000 2.794 25 V HA -0.479 3.687 4.120 0.077 0.000 0.260 25 V C 1.584 177.717 176.094 0.065 0.000 1.103 25 V CA 4.022 66.372 62.300 0.084 0.000 1.125 25 V CB -1.174 30.729 31.823 0.133 0.000 0.702 25 V HN 1.380 9.476 8.190 0.081 0.143 0.494 26 K N 0.292 120.725 120.400 0.056 0.000 2.063 26 K HA -0.262 4.072 4.320 0.046 0.013 0.208 26 K C 2.575 179.200 176.600 0.041 0.000 1.048 26 K CA 3.325 59.639 56.287 0.045 0.000 0.928 26 K CB -0.671 31.851 32.500 0.037 0.000 0.713 26 K HN -0.372 7.852 8.250 0.055 0.059 0.442 27 V N -1.053 118.884 119.914 0.039 0.000 2.548 27 V HA -0.376 3.763 4.120 0.032 0.000 0.249 27 V C 1.612 177.732 176.094 0.044 0.000 1.055 27 V CA 3.803 66.124 62.300 0.035 0.000 1.065 27 V CB 0.008 31.848 31.823 0.029 0.000 0.681 27 V HN -0.204 7.907 8.190 0.038 0.102 0.462 28 L N 0.232 121.485 121.223 0.051 0.000 2.046 28 L HA -0.420 3.957 4.340 0.062 0.000 0.208 28 L C 1.322 178.238 176.870 0.076 0.000 1.077 28 L CA 3.590 58.468 54.840 0.063 0.000 0.747 28 L CB -0.309 41.788 42.059 0.063 0.000 0.896 28 L HN -0.773 7.383 8.230 0.050 0.104 0.432 29 K N -2.029 118.412 120.400 0.068 0.000 2.032 29 K HA -0.434 3.938 4.320 0.087 0.000 0.209 29 K C 2.661 179.307 176.600 0.077 0.000 1.048 29 K CA 3.556 59.887 56.287 0.074 0.000 0.927 29 K CB -0.547 31.986 32.500 0.055 0.000 0.712 29 K HN 0.329 8.424 8.250 0.061 0.192 0.441 30 E N -1.916 118.319 120.200 0.058 0.000 2.153 30 E HA -0.274 4.107 4.350 0.052 0.000 0.194 30 E C 2.358 178.987 176.600 0.048 0.000 0.988 30 E CA 2.583 59.013 56.400 0.049 0.000 0.811 30 E CB -0.345 29.376 29.700 0.035 0.000 0.746 30 E HN -0.678 7.643 8.360 0.051 0.070 0.466 31 K N -0.103 120.329 120.400 0.054 0.000 2.147 31 K HA -0.240 4.095 4.320 0.025 0.000 0.205 31 K C 2.459 179.090 176.600 0.052 0.000 1.049 31 K CA 2.440 58.756 56.287 0.047 0.000 0.936 31 K CB -0.557 31.982 32.500 0.064 0.000 0.722 31 K HN -0.058 7.993 8.250 0.058 0.234 0.446 32 I N -0.989 119.645 120.570 0.107 0.000 2.439 32 I HA -0.474 3.772 4.170 0.127 0.000 0.251 32 I C 1.449 177.629 176.117 0.105 0.000 1.139 32 I CA 4.146 65.543 61.300 0.160 0.000 1.438 32 I CB -0.045 38.125 38.000 0.283 0.000 1.085 32 I HN -0.256 7.891 8.210 0.115 0.133 0.427 33 E N 0.522 120.784 120.200 0.104 0.000 2.153 33 E HA -0.358 4.180 4.350 0.146 -0.100 0.194 33 E C 0.512 177.099 176.600 -0.021 0.000 0.988 33 E CA 2.913 59.359 56.400 0.077 0.000 0.811 33 E CB 0.121 29.862 29.700 0.070 0.000 0.746 33 E HN -0.617 7.689 8.360 0.101 0.114 0.466 34 A N -3.605 119.191 122.820 -0.041 0.000 2.063 34 A HA -0.001 4.273 4.320 -0.077 0.000 0.211 34 A C 1.770 179.264 177.584 -0.150 0.000 1.177 34 A CA 1.503 53.493 52.037 -0.078 0.000 0.759 34 A CB -0.205 18.768 19.000 -0.045 0.000 0.857 34 A HN -0.605 7.423 8.150 -0.014 0.114 0.468 35 E N -1.136 118.953 120.200 -0.186 0.000 2.028 35 E HA -0.192 4.004 4.350 -0.255 0.000 0.191 35 E C 1.827 178.100 176.600 -0.546 0.000 0.988 35 E CA 2.317 58.514 56.400 -0.338 0.000 0.799 35 E CB 0.081 29.572 29.700 -0.349 0.000 0.755 35 E HN -0.015 8.080 8.360 -0.121 0.193 0.447 36 K N -2.396 117.629 120.400 -0.625 0.000 2.284 36 K HA 0.027 3.901 4.320 -0.744 0.000 0.198 36 K C 0.297 176.578 176.600 -0.531 0.000 1.048 36 K CA -1.112 54.717 56.287 -0.763 0.000 0.987 36 K CB 1.686 33.456 32.500 -1.217 0.000 0.800 36 K HN -0.276 7.684 8.250 -0.483 0.000 0.486 37 G N -0.961 107.623 108.800 -0.361 0.000 2.373 37 G HA2 -0.177 3.692 3.960 -0.152 0.000 0.634 37 G HA3 -0.177 3.654 3.960 -0.215 0.000 0.634 37 G C -2.618 172.218 174.900 -0.107 0.000 1.267 37 G CA -0.669 44.307 45.100 -0.207 0.000 1.008 37 G HN -0.942 7.075 8.290 -0.316 0.084 0.497 38 R N -0.697 119.777 120.500 -0.042 0.000 2.629 38 R HA 0.351 4.745 4.340 0.090 0.000 0.386 38 R C -0.451 175.876 176.300 0.046 0.000 1.071 38 R CA -0.556 55.564 56.100 0.034 0.000 1.104 38 R CB 0.355 30.666 30.300 0.019 0.000 1.370 38 R HN 0.211 8.447 8.270 -0.057 0.000 0.574 39 D N 0.633 121.048 120.400 0.025 0.000 2.149 39 D HA -0.154 4.501 4.640 0.025 0.000 0.201 39 D C 0.417 176.773 176.300 0.093 0.000 0.972 39 D CA 2.081 56.103 54.000 0.037 0.000 0.835 39 D CB 0.245 41.047 40.800 0.004 0.000 0.966 39 D HN 0.037 8.333 8.370 -0.023 0.061 0.476 40 A N -4.378 118.556 122.820 0.190 0.000 2.504 40 A HA 0.039 4.438 4.320 0.132 0.000 0.263 40 A C -2.014 175.782 177.584 0.352 0.000 0.885 40 A CA 0.018 52.191 52.037 0.226 0.000 1.086 40 A CB 0.894 20.023 19.000 0.215 0.000 1.203 40 A HN -0.497 7.786 8.150 0.222 0.000 0.496 41 F N -0.208 119.744 119.950 0.002 0.000 2.366 41 F HA 0.418 4.957 4.527 0.020 0.000 0.357 41 F C -1.738 174.067 175.800 0.008 0.000 1.107 41 F CA -4.392 53.614 58.000 0.010 0.000 1.208 41 F CB 0.891 39.893 39.000 0.003 0.000 1.464 41 F HN -0.280 8.247 8.300 0.377 0.000 0.501 42 P HA 0.181 4.637 4.420 0.061 0.000 0.318 42 P C -0.790 176.523 177.300 0.022 0.000 1.309 42 P CA -0.956 62.168 63.100 0.039 0.000 0.736 42 P CB 1.160 32.866 31.700 0.011 0.000 1.440 43 V N -2.212 117.711 119.914 0.015 0.000 3.219 43 V HA -0.103 4.027 4.120 0.018 0.000 0.240 43 V C 1.897 177.990 176.094 -0.001 0.000 1.222 43 V CA 1.987 64.295 62.300 0.014 0.000 1.181 43 V CB 0.042 31.879 31.823 0.023 0.000 0.941 43 V HN 0.293 8.492 8.190 0.015 0.000 0.471 44 A N 2.212 125.031 122.820 -0.003 0.000 1.927 44 A HA -0.333 3.986 4.320 -0.001 0.000 0.220 44 A C 1.158 178.732 177.584 -0.017 0.000 1.185 44 A CA 2.763 54.797 52.037 -0.006 0.000 0.639 44 A CB -0.650 18.346 19.000 -0.006 0.000 0.820 44 A HN 0.167 8.317 8.150 0.001 0.000 0.451 45 G N -5.161 103.620 108.800 -0.032 0.000 3.702 45 G HA2 0.067 4.006 3.960 -0.035 0.000 0.288 45 G HA3 0.067 4.123 3.960 -0.059 -0.131 0.288 45 G C -1.289 173.574 174.900 -0.061 0.000 1.193 45 G CA -0.870 44.202 45.100 -0.047 0.000 0.952 45 G HN -0.436 7.827 8.290 -0.036 0.006 0.544 46 Q N 3.032 122.808 119.800 -0.039 0.000 2.472 46 Q HA 0.301 4.879 4.340 -0.059 -0.274 0.227 46 Q C -1.115 174.874 176.000 -0.018 0.000 1.156 46 Q CA -1.909 53.875 55.803 -0.032 0.000 0.924 46 Q CB -0.378 28.359 28.738 -0.001 0.000 1.354 46 Q HN 0.011 8.091 8.270 -0.024 0.175 0.525 47 K N 6.478 126.861 120.400 -0.028 0.000 2.450 47 K HA 0.278 4.588 4.320 -0.018 0.000 0.257 47 K C -1.543 175.045 176.600 -0.020 0.000 0.953 47 K CA -1.745 54.529 56.287 -0.023 0.000 0.844 47 K CB 1.895 34.379 32.500 -0.027 0.000 1.103 47 K HN -0.137 8.149 8.250 -0.045 -0.063 0.429 48 L N 5.205 126.412 121.223 -0.026 0.000 2.448 48 L HA 0.119 4.464 4.340 0.008 0.000 0.278 48 L C -1.099 175.755 176.870 -0.026 0.000 1.201 48 L CA -1.007 53.820 54.840 -0.021 0.000 1.036 48 L CB -1.894 40.138 42.059 -0.045 0.000 1.325 48 L HN 0.134 8.345 8.230 -0.032 0.000 0.441 49 I N 5.869 126.441 120.570 0.004 0.000 2.581 49 I HA -0.262 4.065 4.170 -0.021 -0.169 0.285 49 I C -0.848 175.310 176.117 0.069 0.000 1.129 49 I CA 0.630 61.937 61.300 0.012 0.000 1.397 49 I CB -2.438 35.576 38.000 0.024 0.000 1.399 49 I HN 0.053 8.271 8.210 0.013 0.000 0.537 50 Y N 9.288 129.507 120.300 -0.135 0.000 2.452 50 Y HA 0.126 4.585 4.550 -0.151 0.000 0.262 50 Y C -1.371 174.438 175.900 -0.152 0.000 1.089 50 Y CA -1.040 56.968 58.100 -0.152 0.000 1.262 50 Y CB 3.023 41.380 38.460 -0.172 0.000 1.236 50 Y HN -0.309 7.979 8.280 0.014 0.000 0.512 51 A N -1.234 121.386 122.820 -0.334 0.000 3.455 51 A HA 0.319 4.391 4.320 -0.414 0.000 0.225 51 A C -0.353 177.113 177.584 -0.197 0.000 1.052 51 A CA -0.169 51.636 52.037 -0.387 0.000 1.005 51 A CB 0.369 19.057 19.000 -0.520 0.000 1.318 51 A HN -0.432 7.616 8.150 -0.170 0.000 0.639 52 G N 0.713 109.432 108.800 -0.134 0.000 2.900 52 G HA2 -0.289 3.632 3.960 -0.064 0.000 0.223 52 G HA3 -0.289 3.622 3.960 -0.082 0.000 0.223 52 G C -0.530 174.333 174.900 -0.062 0.000 1.293 52 G CA 0.128 45.179 45.100 -0.082 0.000 0.792 52 G HN 0.175 8.387 8.290 -0.131 0.000 0.527 53 K N 2.921 123.279 120.400 -0.070 0.000 2.098 53 K HA 0.271 4.568 4.320 -0.039 0.000 0.258 53 K C -0.978 175.582 176.600 -0.067 0.000 0.973 53 K CA -0.922 55.334 56.287 -0.053 0.000 0.898 53 K CB 1.658 34.133 32.500 -0.040 0.000 1.057 53 K HN -0.301 7.809 8.250 -0.090 0.086 0.447 54 I N -1.695 118.841 120.570 -0.057 0.000 2.474 54 I HA -0.039 4.134 4.170 -0.066 -0.042 0.287 54 I C -0.879 175.159 176.117 -0.130 0.000 1.048 54 I CA -1.026 60.231 61.300 -0.071 0.000 1.383 54 I CB 0.582 38.557 38.000 -0.042 0.000 1.412 54 I HN 0.044 8.230 8.210 -0.040 0.000 0.531 55 L N 7.334 128.426 121.223 -0.219 0.000 2.410 55 L HA 0.031 3.970 4.340 -0.668 0.000 0.273 55 L C 0.652 177.436 176.870 -0.143 0.000 1.152 55 L CA -0.113 54.456 54.840 -0.452 0.000 0.855 55 L CB -0.340 41.339 42.059 -0.633 0.000 1.129 55 L HN 0.678 8.647 8.230 -0.166 0.161 0.463 56 S N 4.205 119.917 115.700 0.020 0.000 2.632 56 S HA -0.121 4.382 4.470 0.055 0.000 0.254 56 S C -0.289 174.378 174.600 0.112 0.000 1.291 56 S CA 1.257 59.518 58.200 0.102 0.000 0.974 56 S CB 0.547 63.853 63.200 0.177 0.000 1.016 56 S HN -0.153 8.214 8.310 0.096 0.000 0.579 57 D N -4.394 116.062 120.400 0.093 0.000 2.563 57 D HA 0.037 4.732 4.640 0.091 0.000 0.237 57 D C -1.105 175.239 176.300 0.072 0.000 1.282 57 D CA -0.091 53.957 54.000 0.080 0.000 0.816 57 D CB 0.769 41.600 40.800 0.053 0.000 1.066 57 D HN 0.014 8.433 8.370 0.081 0.000 0.501 58 D N -2.211 118.237 120.400 0.081 0.000 2.433 58 D HA 0.014 4.679 4.640 0.042 0.000 0.211 58 D C -1.231 175.095 176.300 0.044 0.000 1.114 58 D CA 0.622 54.654 54.000 0.053 0.000 0.837 58 D CB 0.631 41.458 40.800 0.045 0.000 0.984 58 D HN 0.124 8.499 8.370 0.106 0.058 0.505 59 V N -5.695 114.259 119.914 0.066 0.000 3.019 59 V HA 0.583 4.693 4.120 -0.016 0.000 0.317 59 V C -2.607 173.504 176.094 0.027 0.000 1.094 59 V CA -3.851 58.454 62.300 0.008 0.000 1.000 59 V CB 1.877 33.658 31.823 -0.069 0.000 1.060 59 V HN -0.739 7.472 8.190 0.118 0.050 0.443 60 P HA 0.118 4.704 4.420 0.022 -0.153 0.271 60 P C 0.317 177.636 177.300 0.032 0.000 1.218 60 P CA -0.712 62.390 63.100 0.004 0.000 0.780 60 P CB 0.679 32.366 31.700 -0.021 0.000 0.901 61 I N 2.159 122.763 120.570 0.057 0.000 2.530 61 I HA -0.391 3.874 4.170 0.158 0.000 0.257 61 I C 0.054 176.205 176.117 0.056 0.000 1.179 61 I CA 0.923 62.273 61.300 0.084 0.000 1.440 61 I CB 0.301 38.328 38.000 0.045 0.000 1.087 61 I HN -0.088 8.148 8.210 0.044 0.000 0.440 62 R N -5.462 115.047 120.500 0.014 0.000 2.356 62 R HA -0.138 4.205 4.340 0.004 0.000 0.234 62 R C -0.279 175.998 176.300 -0.038 0.000 0.929 62 R CA -0.004 56.093 56.100 -0.005 0.000 1.084 62 R CB -0.929 29.366 30.300 -0.010 0.000 1.105 62 R HN 0.123 8.348 8.270 0.006 0.048 0.515 63 D N -2.184 118.158 120.400 -0.097 0.000 2.277 63 D HA -0.046 4.493 4.640 -0.168 0.000 0.209 63 D C 0.815 176.930 176.300 -0.307 0.000 0.970 63 D CA 2.005 55.855 54.000 -0.250 0.000 0.874 63 D CB 0.748 41.300 40.800 -0.413 0.000 0.982 63 D HN -0.040 8.104 8.370 -0.060 0.190 0.504 64 Y N -3.511 116.804 120.300 0.024 0.000 2.523 64 Y HA 0.000 4.600 4.550 0.082 0.000 0.279 64 Y C -0.707 175.244 175.900 0.086 0.000 1.139 64 Y CA 0.254 58.397 58.100 0.072 0.000 1.296 64 Y CB 0.718 39.231 38.460 0.088 0.000 1.045 64 Y HN -0.782 7.518 8.280 0.034 0.000 0.538 65 R N -3.835 116.746 120.500 0.135 0.000 3.423 65 R HA -0.359 4.008 4.340 0.045 0.000 0.271 65 R C -0.461 175.893 176.300 0.090 0.000 1.093 65 R CA 0.562 56.717 56.100 0.091 0.000 0.730 65 R CB -2.256 28.105 30.300 0.101 0.000 1.190 65 R HN -0.159 8.108 8.270 0.081 0.051 0.437 66 I N -3.226 117.304 120.570 -0.067 0.000 3.292 66 I HA -0.262 3.517 4.170 -0.652 0.000 0.279 66 I C -1.044 174.996 176.117 -0.128 0.000 1.268 66 I CA 1.422 62.476 61.300 -0.410 0.000 1.342 66 I CB 0.736 38.337 38.000 -0.665 0.000 1.366 66 I HN -0.264 7.913 8.210 -0.054 0.000 0.615 67 D N 1.238 121.584 120.400 -0.089 0.000 2.896 67 D HA 0.213 4.849 4.640 -0.007 0.000 0.241 67 D C -0.264 176.030 176.300 -0.011 0.000 1.188 67 D CA -0.680 53.321 54.000 0.002 0.000 0.879 67 D CB 2.786 43.632 40.800 0.077 0.000 1.553 67 D HN -0.074 8.192 8.370 -0.173 0.000 0.515 68 E N 5.088 125.283 120.200 -0.008 0.000 2.219 68 E HA -0.439 3.907 4.350 -0.005 0.000 0.198 68 E C 1.447 178.065 176.600 0.030 0.000 0.998 68 E CA 3.219 59.622 56.400 0.006 0.000 0.818 68 E CB 0.233 29.940 29.700 0.011 0.000 0.741 68 E HN 0.585 8.940 8.360 -0.007 0.000 0.477 69 K N -3.688 116.731 120.400 0.032 0.000 2.360 69 K HA -0.226 4.121 4.320 0.045 0.000 0.201 69 K C 0.470 177.093 176.600 0.039 0.000 1.046 69 K CA 1.344 57.655 56.287 0.039 0.000 0.945 69 K CB 0.057 32.575 32.500 0.031 0.000 0.750 69 K HN -0.036 8.195 8.250 0.028 0.035 0.464 70 N N -1.583 117.135 118.700 0.030 0.000 2.272 70 N HA 0.194 4.843 4.740 -0.153 0.000 0.305 70 N C -1.553 173.934 175.510 -0.039 0.000 1.103 70 N CA -0.636 52.376 53.050 -0.062 0.000 0.791 70 N CB 2.557 41.063 38.487 0.031 0.000 1.356 70 N HN -0.051 8.172 8.380 0.041 0.182 0.486 71 F N -2.259 117.723 119.950 0.053 0.000 2.425 71 F HA 0.293 4.909 4.527 -0.053 -0.120 0.331 71 F C -0.868 174.954 175.800 0.038 0.000 1.085 71 F CA -2.257 55.736 58.000 -0.011 0.000 1.028 71 F CB 1.426 40.391 39.000 -0.058 0.000 1.177 71 F HN 0.160 7.825 8.300 -1.058 0.000 0.487 72 V N 2.082 122.112 119.914 0.194 0.000 2.348 72 V HA 0.194 4.550 4.120 0.176 -0.130 0.270 72 V C 0.065 176.272 176.094 0.188 0.000 1.037 72 V CA -1.265 61.128 62.300 0.155 0.000 0.872 72 V CB 0.126 31.966 31.823 0.029 0.000 1.002 72 V HN -0.039 8.223 8.190 0.120 0.000 0.464 73 V N 9.836 129.889 119.914 0.232 0.000 2.180 73 V HA -0.150 4.117 4.120 0.155 -0.054 0.238 73 V C -0.122 176.019 176.094 0.079 0.000 1.337 73 V CA -0.093 62.308 62.300 0.168 0.000 1.338 73 V CB -2.144 29.790 31.823 0.185 0.000 1.431 73 V HN 0.304 8.626 8.190 0.220 0.000 0.498 74 V N 6.256 126.211 119.914 0.069 0.000 2.763 74 V HA -0.051 4.375 4.120 0.024 -0.291 0.306 74 V C -1.229 174.857 176.094 -0.015 0.000 1.059 74 V CA 0.192 62.516 62.300 0.040 0.000 1.138 74 V CB 1.083 32.964 31.823 0.095 0.000 0.940 74 V HN 0.323 8.525 8.190 0.077 0.035 0.489 75 M N 6.997 126.566 119.600 -0.052 0.000 2.528 75 M HA 0.322 4.735 4.480 -0.111 0.000 0.318 75 M C -1.539 174.645 176.300 -0.194 0.000 1.195 75 M CA -0.333 54.904 55.300 -0.106 0.000 1.000 75 M CB 2.439 34.999 32.600 -0.066 0.000 1.615 75 M HN 0.627 8.831 8.290 -0.035 0.065 0.469 76 V N -4.771 114.981 119.914 -0.269 0.000 2.703 76 V HA 0.402 4.399 4.120 -0.244 -0.024 0.290 76 V C -1.770 174.196 176.094 -0.214 0.000 1.035 76 V CA -1.650 60.447 62.300 -0.339 0.000 1.185 76 V CB -0.170 31.158 31.823 -0.826 0.000 1.178 76 V HN 0.204 8.256 8.190 -0.229 0.000 0.562 161 S N 2.052 117.785 115.700 0.054 0.000 2.371 161 S HA -0.064 4.360 4.470 -0.077 0.000 0.221 161 S C 1.455 176.031 174.600 -0.041 0.000 1.036 161 S CA 1.956 60.141 58.200 -0.026 0.000 0.965 161 S CB 0.655 63.846 63.200 -0.016 0.000 0.845 161 S HN -0.035 8.307 8.310 0.053 0.000 0.475 162 E N 0.456 120.663 120.200 0.012 0.000 2.219 162 E HA -0.265 4.078 4.350 -0.013 0.000 0.198 162 E C 2.387 179.007 176.600 0.034 0.000 0.998 162 E CA 3.113 59.520 56.400 0.012 0.000 0.818 162 E CB -0.586 29.132 29.700 0.030 0.000 0.741 162 E HN 0.588 8.966 8.360 0.029 0.000 0.477 163 Y N -2.317 117.967 120.300 -0.025 0.000 2.286 163 Y HA -0.229 4.296 4.550 -0.042 0.000 0.293 163 Y C 1.091 176.977 175.900 -0.023 0.000 1.124 163 Y CA 2.320 60.402 58.100 -0.030 0.000 1.178 163 Y CB -0.525 37.922 38.460 -0.023 0.000 1.010 163 Y HN -0.144 8.210 8.280 0.178 0.033 0.536 164 E N -0.448 119.252 120.200 -0.834 0.000 2.046 164 E HA -0.321 3.389 4.350 -1.067 0.000 0.190 164 E C 2.422 178.828 176.600 -0.324 0.000 0.982 164 E CA 3.351 59.286 56.400 -0.776 0.000 0.800 164 E CB -0.415 28.952 29.700 -0.555 0.000 0.756 164 E HN -0.610 7.331 8.360 -0.539 0.096 0.449 165 T N 0.743 115.177 114.554 -0.200 0.000 2.822 165 T HA -0.297 3.993 4.350 -0.100 0.000 0.270 165 T C 1.768 176.417 174.700 -0.084 0.000 1.064 165 T CA 4.394 66.429 62.100 -0.109 0.000 1.131 165 T CB -0.487 68.338 68.868 -0.071 0.000 0.858 165 T HN 0.468 8.485 8.240 -0.193 0.107 0.483 166 M N 0.957 120.508 119.600 -0.082 0.000 2.287 166 M HA -0.122 4.338 4.480 -0.035 0.000 0.266 166 M C 1.503 177.785 176.300 -0.030 0.000 1.079 166 M CA 2.264 57.541 55.300 -0.037 0.000 1.146 166 M CB -0.386 32.216 32.600 0.004 0.000 1.374 166 M HN -0.688 7.387 8.290 -0.108 0.151 0.435 167 L N 0.165 121.347 121.223 -0.068 0.000 2.043 167 L HA -0.491 3.873 4.340 0.040 0.000 0.212 167 L C 2.302 179.160 176.870 -0.020 0.000 1.075 167 L CA 3.813 58.635 54.840 -0.030 0.000 0.752 167 L CB -0.542 41.441 42.059 -0.126 0.000 0.891 167 L HN 0.460 8.382 8.230 -0.159 0.213 0.432 168 T N -1.400 113.126 114.554 -0.048 0.000 2.985 168 T HA -0.270 4.073 4.350 -0.012 0.000 0.266 168 T C 2.436 177.130 174.700 -0.011 0.000 1.076 168 T CA 4.283 66.367 62.100 -0.026 0.000 1.135 168 T CB -0.701 68.142 68.868 -0.043 0.000 0.890 168 T HN -0.293 7.890 8.240 -0.082 0.008 0.480 169 E N 1.357 121.546 120.200 -0.019 0.000 2.153 169 E HA -0.170 4.171 4.350 -0.015 0.000 0.194 169 E C 1.134 177.736 176.600 0.003 0.000 0.988 169 E CA 2.677 59.068 56.400 -0.014 0.000 0.811 169 E CB -0.293 29.392 29.700 -0.025 0.000 0.746 169 E HN -0.669 7.534 8.360 -0.031 0.138 0.466 170 I N -1.326 119.255 120.570 0.019 0.000 2.900 170 I HA -0.160 4.043 4.170 0.055 0.000 0.251 170 I C 1.482 177.682 176.117 0.138 0.000 1.102 170 I CA 2.060 63.395 61.300 0.059 0.000 1.457 170 I CB 0.985 38.998 38.000 0.021 0.000 1.285 170 I HN -0.096 8.107 8.210 0.012 0.014 0.459 171 M N 2.285 121.958 119.600 0.121 0.000 2.103 171 M HA -0.597 4.034 4.480 0.252 0.000 0.255 171 M C 1.959 178.319 176.300 0.100 0.000 1.074 171 M CA 3.979 59.370 55.300 0.151 0.000 1.090 171 M CB -0.938 31.711 32.600 0.081 0.000 1.325 171 M HN 0.352 8.601 8.290 0.077 0.087 0.403 172 S N -0.630 115.100 115.700 0.050 0.000 2.421 172 S HA -0.423 4.049 4.470 0.003 0.000 0.239 172 S C 2.128 176.725 174.600 -0.004 0.000 1.054 172 S CA 2.670 60.878 58.200 0.014 0.000 1.035 172 S CB -0.340 62.864 63.200 0.007 0.000 0.840 172 S HN -0.503 7.829 8.310 0.043 0.004 0.475 173 M N -1.997 117.615 119.600 0.020 0.000 2.202 173 M HA -0.335 4.118 4.480 -0.045 0.000 0.262 173 M C 1.274 177.456 176.300 -0.196 0.000 1.063 173 M CA 2.582 57.850 55.300 -0.054 0.000 1.097 173 M CB 0.761 33.387 32.600 0.042 0.000 1.382 173 M HN -0.005 8.183 8.290 0.082 0.151 0.413 174 G N -5.020 103.652 108.800 -0.214 0.000 3.246 174 G HA2 -0.150 3.728 3.960 -0.136 0.000 0.218 174 G HA3 -0.150 3.613 3.960 -0.328 0.000 0.218 174 G C -0.459 174.300 174.900 -0.234 0.000 0.978 174 G CA -0.335 44.615 45.100 -0.251 0.000 0.825 174 G HN -0.005 8.100 8.290 -0.086 0.134 0.546 175 Y N -0.407 119.897 120.300 0.007 0.000 2.379 175 Y HA -0.159 4.401 4.550 0.016 0.000 0.354 175 Y C 0.206 176.115 175.900 0.014 0.000 1.269 175 Y CA 0.524 58.633 58.100 0.014 0.000 1.532 175 Y CB 0.371 38.843 38.460 0.019 0.000 1.371 175 Y HN -0.731 7.302 8.280 -0.411 0.000 0.666 176 E N -1.085 119.237 120.200 0.204 0.000 4.495 176 E HA -0.020 4.379 4.350 0.081 0.000 0.377 176 E C -0.387 176.276 176.600 0.105 0.000 1.395 176 E CA 0.318 56.786 56.400 0.113 0.000 2.229 176 E CB 1.091 30.847 29.700 0.094 0.000 1.608 176 E HN 0.175 8.686 8.360 0.252 0.000 0.797 177 R N -1.362 119.185 120.500 0.079 0.000 2.076 177 R HA -0.028 4.358 4.340 0.076 0.000 0.203 177 R C 2.234 178.589 176.300 0.092 0.000 1.229 177 R CA 3.099 59.245 56.100 0.076 0.000 1.094 177 R CB 0.559 30.892 30.300 0.055 0.000 0.991 177 R HN 0.198 8.509 8.270 0.069 0.000 0.471 178 E N 0.393 120.641 120.200 0.080 0.000 2.153 178 E HA -0.309 4.099 4.350 0.097 0.000 0.194 178 E C 2.379 179.017 176.600 0.063 0.000 0.988 178 E CA 3.495 59.940 56.400 0.076 0.000 0.811 178 E CB -0.465 29.268 29.700 0.056 0.000 0.746 178 E HN 0.454 8.855 8.360 0.068 0.000 0.466 179 R N -2.184 118.353 120.500 0.062 0.000 2.115 179 R HA -0.212 4.149 4.340 0.036 0.000 0.230 179 R C 2.131 178.450 176.300 0.031 0.000 1.111 179 R CA 2.805 58.933 56.100 0.047 0.000 0.976 179 R CB -0.324 30.016 30.300 0.066 0.000 0.870 179 R HN 0.320 8.612 8.270 0.070 0.020 0.445 180 V N 0.585 120.529 119.914 0.051 0.000 2.270 180 V HA -0.358 3.738 4.120 -0.040 0.000 0.245 180 V C 1.576 177.704 176.094 0.056 0.000 1.043 180 V CA 3.751 66.070 62.300 0.031 0.000 1.014 180 V CB -0.428 31.439 31.823 0.072 0.000 0.645 180 V HN -0.541 7.568 8.190 0.077 0.127 0.447 181 V N 0.109 120.092 119.914 0.115 0.000 2.392 181 V HA -0.582 3.607 4.120 0.116 0.000 0.249 181 V C 1.072 177.161 176.094 -0.008 0.000 1.059 181 V CA 3.603 65.955 62.300 0.086 0.000 1.051 181 V CB -0.127 31.767 31.823 0.119 0.000 0.658 181 V HN -0.617 7.658 8.190 0.142 0.000 0.455 182 A N -2.108 120.716 122.820 0.007 0.000 1.883 182 A HA -0.334 3.973 4.320 -0.022 0.000 0.217 182 A C 1.830 179.428 177.584 0.022 0.000 1.186 182 A CA 3.149 55.185 52.037 -0.001 0.000 0.624 182 A CB -0.769 18.236 19.000 0.008 0.000 0.822 182 A HN -0.348 7.810 8.150 0.028 0.008 0.444 183 A N -2.036 120.807 122.820 0.037 0.000 1.968 183 A HA -0.163 4.256 4.320 0.164 0.000 0.217 183 A C 1.900 179.538 177.584 0.089 0.000 1.169 183 A CA 2.587 54.684 52.037 0.100 0.000 0.638 183 A CB -0.350 18.678 19.000 0.047 0.000 0.812 183 A HN -0.474 7.689 8.150 0.021 0.000 0.446 184 L N -3.720 117.521 121.223 0.029 0.000 2.622 184 L HA -0.079 4.258 4.340 -0.005 0.000 0.233 184 L C 1.134 178.002 176.870 -0.004 0.000 1.156 184 L CA 1.795 56.638 54.840 0.006 0.000 0.866 184 L CB -0.746 41.324 42.059 0.019 0.000 0.980 184 L HN 0.403 8.432 8.230 0.021 0.213 0.448 185 R N -1.662 118.842 120.500 0.007 0.000 2.225 185 R HA 0.001 4.460 4.340 -0.032 -0.138 0.194 185 R C 0.249 176.579 176.300 0.051 0.000 0.957 185 R CA 1.440 57.535 56.100 -0.007 0.000 1.042 185 R CB 0.772 31.048 30.300 -0.040 0.000 1.004 185 R HN -0.574 7.494 8.270 0.025 0.217 0.509 186 A N -2.661 120.220 122.820 0.102 0.000 2.431 186 A HA 0.221 4.608 4.320 0.112 0.000 0.239 186 A C 0.057 177.843 177.584 0.336 0.000 1.230 186 A CA 0.463 52.591 52.037 0.153 0.000 0.928 186 A CB 1.206 20.252 19.000 0.076 0.000 1.006 186 A HN -0.735 7.377 8.150 0.107 0.102 0.520 187 S N -2.150 113.733 115.700 0.305 0.000 2.562 187 S HA 0.065 4.702 4.470 0.279 0.000 0.246 187 S C -0.402 174.307 174.600 0.182 0.000 1.056 187 S CA -1.342 56.972 58.200 0.190 0.000 1.042 187 S CB 0.233 63.400 63.200 -0.054 0.000 0.822 187 S HN -0.121 8.186 8.310 0.201 0.124 0.465 188 Y N 1.093 121.420 120.300 0.046 0.000 3.929 188 Y HA -0.371 4.196 4.550 0.028 0.000 0.225 188 Y C -1.613 174.302 175.900 0.024 0.000 1.200 188 Y CA 0.442 58.557 58.100 0.025 0.000 1.791 188 Y CB -1.968 36.498 38.460 0.010 0.000 1.561 188 Y HN 0.187 8.539 8.280 0.244 0.074 0.657 189 N N -4.767 113.865 118.700 -0.112 0.000 2.677 189 N HA -0.395 4.303 4.740 -0.075 -0.003 0.249 189 N C -1.472 173.880 175.510 -0.264 0.000 1.073 189 N CA 1.763 54.714 53.050 -0.165 0.000 0.737 189 N CB -1.848 36.540 38.487 -0.165 0.000 0.999 189 N HN -0.278 8.024 8.380 0.006 0.082 0.543 190 N N -2.425 116.135 118.700 -0.233 0.000 2.380 190 N HA 0.539 5.169 4.740 -0.182 0.000 0.290 190 N C -2.127 173.342 175.510 -0.068 0.000 1.236 190 N CA -1.791 51.161 53.050 -0.163 0.000 0.780 190 N CB 2.662 41.087 38.487 -0.104 0.000 1.438 190 N HN -0.807 7.462 8.380 -0.136 0.030 0.491 191 P HA -0.022 4.335 4.420 -0.105 0.000 0.233 191 P C 0.867 178.067 177.300 -0.168 0.000 1.167 191 P CA 1.551 64.571 63.100 -0.134 0.000 0.770 191 P CB 0.332 31.934 31.700 -0.162 0.000 0.837 192 H N 0.465 119.513 119.070 -0.035 0.000 2.368 192 H HA -0.261 4.272 4.556 -0.037 0.000 0.303 192 H C 2.029 177.260 175.328 -0.162 0.000 1.043 192 H CA 4.253 60.273 56.048 -0.047 0.000 1.238 192 H CB -0.052 29.726 29.762 0.026 0.000 1.417 192 H HN -0.079 8.170 8.280 0.058 0.065 0.548 193 R N -0.847 119.607 120.500 -0.077 0.000 2.120 193 R HA -0.346 3.636 4.340 -0.597 0.000 0.234 193 R C 1.967 177.825 176.300 -0.737 0.000 1.123 193 R CA 2.820 58.569 56.100 -0.586 0.000 0.975 193 R CB -0.321 29.621 30.300 -0.597 0.000 0.866 193 R HN 0.214 8.541 8.270 0.095 0.000 0.446 194 A N -0.178 122.436 122.820 -0.344 0.000 1.849 194 A HA -0.362 3.862 4.320 -0.159 0.000 0.217 194 A C 1.259 178.687 177.584 -0.260 0.000 1.202 194 A CA 3.411 55.309 52.037 -0.231 0.000 0.629 194 A CB -0.749 18.165 19.000 -0.144 0.000 0.834 194 A HN -0.407 7.606 8.150 -0.202 0.015 0.447 195 V N -2.380 117.399 119.914 -0.226 0.000 2.370 195 V HA -0.532 3.381 4.120 -0.344 0.000 0.252 195 V C 2.503 178.522 176.094 -0.125 0.000 1.068 195 V CA 4.014 66.201 62.300 -0.188 0.000 1.061 195 V CB -0.790 31.000 31.823 -0.054 0.000 0.656 195 V HN -0.681 7.402 8.190 -0.179 0.000 0.455 196 E N -0.771 119.340 120.200 -0.148 0.000 2.072 196 E HA -0.264 4.106 4.350 0.033 0.000 0.190 196 E C 2.350 179.059 176.600 0.182 0.000 0.982 196 E CA 2.828 59.208 56.400 -0.035 0.000 0.803 196 E CB 0.095 29.694 29.700 -0.168 0.000 0.755 196 E HN -0.662 7.437 8.360 -0.234 0.121 0.453 197 Y N -3.619 116.646 120.300 -0.058 0.000 2.471 197 Y HA 0.006 4.534 4.550 -0.037 0.000 0.286 197 Y C 1.189 177.013 175.900 -0.127 0.000 1.188 197 Y CA -0.886 57.175 58.100 -0.064 0.000 1.286 197 Y CB -0.586 37.846 38.460 -0.045 0.000 1.072 197 Y HN 0.421 8.316 8.280 -0.272 0.221 0.517 198 L N -2.669 118.498 121.223 -0.093 0.000 2.470 198 L HA -0.028 4.149 4.340 -0.272 0.000 0.219 198 L C 1.024 177.819 176.870 -0.123 0.000 1.071 198 L CA 0.547 55.156 54.840 -0.385 0.000 0.850 198 L CB 0.427 41.795 42.059 -1.152 0.000 1.040 198 L HN 0.046 7.994 8.230 -0.097 0.223 0.475 199 L N -1.690 119.557 121.223 0.040 0.000 1.994 199 L HA -0.240 4.296 4.340 0.326 0.000 0.208 199 L C 0.806 177.755 176.870 0.131 0.000 1.071 199 L CA 2.610 57.559 54.840 0.182 0.000 0.745 199 L CB 0.388 42.531 42.059 0.140 0.000 0.892 199 L HN -0.684 7.551 8.230 0.009 0.000 0.431 233 E N 0.767 121.017 120.200 0.085 0.000 2.086 233 E HA -0.137 4.108 4.350 -0.174 0.000 0.190 233 E C 1.356 177.920 176.600 -0.060 0.000 0.975 233 E CA 2.295 58.668 56.400 -0.045 0.000 0.813 233 E CB 0.048 29.762 29.700 0.023 0.000 0.768 233 E HN 0.223 8.709 8.360 0.209 0.000 0.457 234 F N -1.519 118.393 119.950 -0.062 0.000 2.192 234 F HA -0.236 4.269 4.527 -0.037 0.000 0.301 234 F C 0.806 176.589 175.800 -0.029 0.000 1.079 234 F CA 2.249 60.227 58.000 -0.037 0.000 1.303 234 F CB -0.719 38.271 39.000 -0.016 0.000 1.024 234 F HN -0.367 8.296 8.300 0.604 0.000 0.494 235 L N -1.761 118.595 121.223 -1.445 0.000 2.168 235 L HA -0.073 3.827 4.340 -0.734 0.000 0.203 235 L C 1.587 178.142 176.870 -0.526 0.000 1.078 235 L CA 1.609 55.858 54.840 -0.985 0.000 0.780 235 L CB 0.047 41.447 42.059 -1.097 0.000 0.939 235 L HN -0.694 6.558 8.230 -1.590 0.023 0.451 236 R N -1.820 118.234 120.500 -0.744 0.000 2.200 236 R HA -0.355 2.534 4.340 -2.419 0.000 0.234 236 R C 0.359 176.342 176.300 -0.528 0.000 1.127 236 R CA 2.738 58.141 56.100 -1.162 0.000 0.989 236 R CB -0.367 29.348 30.300 -0.975 0.000 0.869 236 R HN -0.715 7.144 8.270 -0.685 0.000 0.459 237 D N -5.349 114.866 120.400 -0.307 0.000 2.392 237 D HA 0.083 4.649 4.640 -0.124 0.000 0.206 237 D C -0.153 176.105 176.300 -0.071 0.000 1.046 237 D CA 0.119 54.034 54.000 -0.142 0.000 0.865 237 D CB 1.574 42.314 40.800 -0.100 0.000 0.969 237 D HN -0.512 7.612 8.370 -0.333 0.047 0.509 238 Q N -0.779 118.970 119.800 -0.085 0.000 2.471 238 Q HA 0.096 4.434 4.340 -0.003 0.000 0.223 238 Q C -0.631 175.388 176.000 0.031 0.000 1.045 238 Q CA -0.575 55.216 55.803 -0.020 0.000 0.956 238 Q CB 0.408 29.118 28.738 -0.047 0.000 1.249 238 Q HN -0.597 7.433 8.270 -0.171 0.137 0.549 239 P HA -0.138 4.311 4.420 0.047 0.000 0.222 239 P C 1.151 178.484 177.300 0.055 0.000 1.153 239 P CA 2.412 65.538 63.100 0.044 0.000 0.798 239 P CB 0.261 31.980 31.700 0.033 0.000 0.796 240 Q N -1.181 118.654 119.800 0.059 0.000 1.993 240 Q HA -0.313 4.049 4.340 0.038 0.000 0.202 240 Q C 2.303 178.353 176.000 0.083 0.000 0.984 240 Q CA 3.334 59.172 55.803 0.059 0.000 0.837 240 Q CB -0.804 27.970 28.738 0.060 0.000 0.902 240 Q HN -0.011 8.260 8.270 0.050 0.029 0.423 241 F N 0.312 120.241 119.950 -0.035 0.000 2.171 241 F HA -0.397 4.147 4.527 0.028 0.000 0.300 241 F C 1.685 177.462 175.800 -0.039 0.000 1.090 241 F CA 2.932 60.913 58.000 -0.031 0.000 1.293 241 F CB 0.025 38.963 39.000 -0.102 0.000 1.013 241 F HN -0.336 8.095 8.300 0.218 0.000 0.486 242 Q N -2.100 117.849 119.800 0.248 0.000 2.152 242 Q HA -0.481 3.989 4.340 0.216 0.000 0.206 242 Q C 2.493 178.507 176.000 0.023 0.000 0.985 242 Q CA 3.740 59.630 55.803 0.145 0.000 0.863 242 Q CB -0.503 28.293 28.738 0.097 0.000 0.904 242 Q HN -0.391 8.013 8.270 0.237 0.008 0.422 243 N N -1.097 117.601 118.700 -0.003 0.000 2.396 243 N HA -0.164 4.565 4.740 -0.018 0.000 0.180 243 N C 2.110 177.569 175.510 -0.085 0.000 1.028 243 N CA 2.637 55.669 53.050 -0.031 0.000 0.893 243 N CB -0.002 38.475 38.487 -0.016 0.000 0.967 243 N HN -0.462 7.828 8.380 0.021 0.102 0.440 244 M N -1.047 118.449 119.600 -0.173 0.000 2.476 244 M HA -0.128 4.259 4.480 -0.155 0.000 0.262 244 M C 0.521 176.633 176.300 -0.314 0.000 1.111 244 M CA 2.771 57.917 55.300 -0.256 0.000 1.127 244 M CB 0.352 32.725 32.600 -0.377 0.000 1.376 244 M HN -0.206 7.809 8.290 -0.179 0.168 0.465 245 R N -3.624 116.688 120.500 -0.313 0.000 2.397 245 R HA 0.113 4.338 4.340 -0.191 0.000 0.241 245 R C 0.389 176.655 176.300 -0.056 0.000 0.914 245 R CA 0.569 56.561 56.100 -0.180 0.000 1.071 245 R CB 0.803 31.071 30.300 -0.053 0.000 1.116 245 R HN -0.210 7.749 8.270 -0.265 0.152 0.524 246 Q N -1.761 118.010 119.800 -0.048 0.000 2.471 246 Q HA 0.030 4.366 4.340 -0.006 0.000 0.241 246 Q C 0.687 176.674 176.000 -0.022 0.000 0.886 246 Q CA 1.829 57.622 55.803 -0.017 0.000 0.953 246 Q CB 0.922 29.659 28.738 -0.002 0.000 1.108 246 Q HN -0.325 7.739 8.270 -0.072 0.162 0.575 247 V N -0.515 119.379 119.914 -0.033 0.000 2.649 247 V HA -0.172 3.937 4.120 -0.017 0.000 0.248 247 V C 1.467 177.543 176.094 -0.029 0.000 1.054 247 V CA 2.347 64.632 62.300 -0.026 0.000 1.073 247 V CB 0.537 32.343 31.823 -0.028 0.000 0.699 247 V HN -0.548 7.508 8.190 -0.047 0.106 0.463 248 I N -0.215 120.329 120.570 -0.043 0.000 2.454 248 I HA -0.353 4.069 4.170 -0.029 -0.269 0.254 248 I C 2.277 178.380 176.117 -0.022 0.000 1.156 248 I CA 2.324 63.603 61.300 -0.036 0.000 1.433 248 I CB -0.423 37.545 38.000 -0.053 0.000 1.082 248 I HN -0.222 7.952 8.210 -0.060 0.000 0.432 249 Q N -1.248 118.540 119.800 -0.021 0.000 2.297 249 Q HA -0.289 4.046 4.340 -0.009 0.000 0.208 249 Q C 0.712 176.708 176.000 -0.007 0.000 0.981 249 Q CA 2.723 58.520 55.803 -0.011 0.000 0.876 249 Q CB -0.257 28.477 28.738 -0.008 0.000 0.921 249 Q HN -0.065 8.161 8.270 -0.026 0.028 0.446 250 Q N -4.159 115.635 119.800 -0.009 0.000 2.164 250 Q HA 0.104 4.442 4.340 -0.004 0.000 0.226 250 Q C -1.234 174.762 176.000 -0.007 0.000 0.813 250 Q CA -0.294 55.505 55.803 -0.006 0.000 0.978 250 Q CB 1.625 30.360 28.738 -0.005 0.000 1.149 250 Q HN -0.591 7.517 8.270 -0.012 0.155 0.489 251 N N -0.159 118.535 118.700 -0.010 0.000 2.664 251 N HA 0.326 5.062 4.740 -0.007 0.000 0.268 251 N C -2.012 173.491 175.510 -0.011 0.000 1.222 251 N CA -1.479 51.565 53.050 -0.010 0.000 0.805 251 N CB 1.902 40.382 38.487 -0.011 0.000 1.399 251 N HN -0.646 7.576 8.380 -0.012 0.150 0.547 252 P HA 0.016 4.432 4.420 -0.007 0.000 0.237 252 P C -0.567 176.728 177.300 -0.008 0.000 1.178 252 P CA 1.049 64.145 63.100 -0.006 0.000 0.766 252 P CB 0.153 31.852 31.700 -0.002 0.000 0.876 253 A N -2.721 120.094 122.820 -0.009 0.000 2.123 253 A HA 0.068 4.383 4.320 -0.009 0.000 0.214 253 A C 1.344 178.920 177.584 -0.014 0.000 1.152 253 A CA 1.078 53.109 52.037 -0.010 0.000 0.728 253 A CB -0.295 18.700 19.000 -0.008 0.000 0.814 253 A HN 0.014 8.091 8.150 -0.009 0.068 0.464 254 L N -1.098 120.115 121.223 -0.017 0.000 2.240 254 L HA -0.195 4.133 4.340 -0.020 0.000 0.211 254 L C 1.255 178.109 176.870 -0.027 0.000 1.106 254 L CA 2.233 57.060 54.840 -0.022 0.000 0.793 254 L CB -0.126 41.918 42.059 -0.025 0.000 0.927 254 L HN -0.560 7.517 8.230 -0.016 0.144 0.446 255 L N 0.291 121.499 121.223 -0.024 0.000 1.990 255 L HA -0.280 4.043 4.340 -0.029 0.000 0.213 255 L C -0.903 175.950 176.870 -0.028 0.000 1.072 255 L CA 6.203 61.031 54.840 -0.021 0.000 0.755 255 L CB -2.423 39.634 42.059 -0.004 0.000 0.889 255 L HN -0.115 8.078 8.230 -0.020 0.025 0.432 256 P HA -0.187 4.209 4.420 -0.040 0.000 0.217 256 P C 1.014 178.296 177.300 -0.030 0.000 1.154 256 P CA 2.478 65.560 63.100 -0.030 0.000 0.841 256 P CB -0.896 30.792 31.700 -0.021 0.000 0.788 257 A N -2.049 120.757 122.820 -0.024 0.000 1.908 257 A HA -0.260 4.048 4.320 -0.019 0.000 0.218 257 A C 2.604 180.173 177.584 -0.025 0.000 1.181 257 A CA 2.930 54.954 52.037 -0.021 0.000 0.627 257 A CB -0.625 18.365 19.000 -0.018 0.000 0.818 257 A HN -0.566 7.571 8.150 -0.021 0.000 0.445 258 L N -2.127 119.078 121.223 -0.030 0.000 2.095 258 L HA -0.180 4.146 4.340 -0.024 0.000 0.204 258 L C 2.591 179.437 176.870 -0.040 0.000 1.080 258 L CA 2.653 57.474 54.840 -0.031 0.000 0.759 258 L CB -0.228 41.808 42.059 -0.039 0.000 0.914 258 L HN 0.220 8.313 8.230 -0.031 0.118 0.439 259 L N -0.820 120.368 121.223 -0.059 0.000 2.263 259 L HA -0.363 3.904 4.340 -0.121 0.000 0.216 259 L C 0.855 177.684 176.870 -0.069 0.000 1.111 259 L CA 2.352 57.135 54.840 -0.095 0.000 0.773 259 L CB 0.003 41.991 42.059 -0.117 0.000 0.906 259 L HN 0.146 8.235 8.230 -0.054 0.109 0.439 260 Q N -7.074 112.699 119.800 -0.046 0.000 2.396 260 Q HA -0.065 4.253 4.340 -0.036 0.000 0.209 260 Q C 0.425 176.412 176.000 -0.022 0.000 0.906 260 Q CA 0.858 56.641 55.803 -0.033 0.000 0.927 260 Q CB 0.909 29.631 28.738 -0.027 0.000 1.069 260 Q HN -0.514 7.586 8.270 -0.042 0.145 0.523 261 Q N -2.889 116.899 119.800 -0.020 0.000 2.527 261 Q HA -0.102 4.234 4.340 -0.007 0.000 0.194 261 Q C 0.708 176.706 176.000 -0.004 0.000 0.963 261 Q CA 1.623 57.420 55.803 -0.010 0.000 0.861 261 Q CB 0.594 29.327 28.738 -0.010 0.000 1.051 261 Q HN -0.345 7.765 8.270 -0.025 0.145 0.605 262 L N -0.707 120.514 121.223 -0.005 0.000 2.007 262 L HA 0.090 4.439 4.340 0.015 0.000 0.205 262 L C 2.083 178.962 176.870 0.014 0.000 1.073 262 L CA 2.651 57.496 54.840 0.008 0.000 0.744 262 L CB 0.724 42.785 42.059 0.003 0.000 0.898 262 L HN -0.146 8.020 8.230 -0.011 0.058 0.435 263 G N -2.885 105.913 108.800 -0.003 0.000 2.479 263 G HA2 -0.329 3.652 3.960 0.035 0.000 0.220 263 G HA3 -0.329 3.592 3.960 -0.065 0.000 0.220 263 G C 0.576 175.465 174.900 -0.018 0.000 1.115 263 G CA 1.537 46.629 45.100 -0.013 0.000 0.757 263 G HN -0.055 8.099 8.290 -0.017 0.127 0.560 264 Q N -1.667 118.124 119.800 -0.016 0.000 2.212 264 Q HA 0.042 4.373 4.340 -0.015 0.000 0.213 264 Q C -0.370 175.636 176.000 0.010 0.000 0.874 264 Q CA 0.216 56.013 55.803 -0.010 0.000 0.965 264 Q CB -0.188 28.539 28.738 -0.019 0.000 1.074 264 Q HN -0.509 7.603 8.270 -0.016 0.149 0.473 265 E N -0.508 119.707 120.200 0.025 0.000 2.434 265 E HA 0.042 4.408 4.350 0.027 0.000 0.207 265 E C -0.397 176.238 176.600 0.058 0.000 0.929 265 E CA -0.068 56.353 56.400 0.036 0.000 1.001 265 E CB 1.715 31.436 29.700 0.035 0.000 1.016 265 E HN -0.081 8.122 8.360 0.029 0.174 0.502 266 N N 1.047 119.797 118.700 0.083 0.000 2.457 266 N HA 0.441 5.257 4.740 0.127 0.000 0.250 266 N C -1.260 174.326 175.510 0.126 0.000 0.982 266 N CA -3.000 50.132 53.050 0.137 0.000 0.941 266 N CB 0.436 39.047 38.487 0.206 0.000 1.120 266 N HN -0.522 7.902 8.380 0.074 0.000 0.505 267 P HA -0.079 4.368 4.420 0.044 0.000 0.225 267 P C 1.121 178.456 177.300 0.058 0.000 1.156 267 P CA 1.661 64.793 63.100 0.053 0.000 0.787 267 P CB 0.554 32.268 31.700 0.024 0.000 0.802 268 Q N -2.790 117.060 119.800 0.083 0.000 2.135 268 Q HA -0.229 4.051 4.340 -0.100 0.000 0.204 268 Q C 1.422 177.512 176.000 0.150 0.000 0.981 268 Q CA 3.120 58.919 55.803 -0.007 0.000 0.856 268 Q CB -0.675 27.911 28.738 -0.253 0.000 0.902 268 Q HN 0.465 8.769 8.270 0.119 0.038 0.425 269 L N -2.650 118.782 121.223 0.347 0.000 2.357 269 L HA 0.002 4.521 4.340 0.298 0.000 0.211 269 L C 1.035 177.976 176.870 0.119 0.000 1.075 269 L CA 1.522 56.538 54.840 0.294 0.000 0.830 269 L CB 0.725 42.991 42.059 0.344 0.000 0.996 269 L HN -0.759 7.693 8.230 0.386 0.009 0.467 270 L N -0.089 121.184 121.223 0.083 0.000 2.081 270 L HA -0.441 3.892 4.340 -0.011 0.000 0.212 270 L C 2.222 179.096 176.870 0.006 0.000 1.080 270 L CA 3.428 58.280 54.840 0.019 0.000 0.754 270 L CB -0.941 41.130 42.059 0.019 0.000 0.893 270 L HN -0.296 8.003 8.230 0.115 0.000 0.433 271 Q N -3.756 116.048 119.800 0.007 0.000 2.224 271 Q HA -0.367 3.966 4.340 -0.012 0.000 0.203 271 Q C 1.437 177.415 176.000 -0.035 0.000 0.970 271 Q CA 2.284 58.078 55.803 -0.015 0.000 0.865 271 Q CB -0.427 28.297 28.738 -0.024 0.000 0.922 271 Q HN -0.406 7.865 8.270 0.022 0.013 0.445 272 Q N -1.763 118.007 119.800 -0.050 0.000 2.388 272 Q HA -0.071 4.144 4.340 -0.208 0.000 0.204 272 Q C 1.960 177.948 176.000 -0.020 0.000 0.946 272 Q CA 1.201 56.908 55.803 -0.160 0.000 0.880 272 Q CB 1.086 29.668 28.738 -0.260 0.000 0.997 272 Q HN -0.506 7.600 8.270 -0.010 0.158 0.552 273 I N 1.530 122.124 120.570 0.040 0.000 2.229 273 I HA -0.589 3.678 4.170 0.161 0.000 0.250 273 I C 0.981 177.117 176.117 0.032 0.000 1.096 273 I CA 3.596 64.926 61.300 0.050 0.000 1.358 273 I CB 0.085 38.023 38.000 -0.103 0.000 1.047 273 I HN 0.593 8.721 8.210 0.041 0.107 0.422 274 S N -1.471 114.238 115.700 0.015 0.000 2.387 274 S HA -0.313 4.151 4.470 -0.009 0.000 0.230 274 S C 1.734 176.370 174.600 0.060 0.000 1.035 274 S CA 2.637 60.847 58.200 0.016 0.000 1.014 274 S CB -0.079 63.127 63.200 0.009 0.000 0.836 274 S HN -0.569 7.720 8.310 0.005 0.023 0.466 275 R N -3.486 117.088 120.500 0.123 0.000 2.365 275 R HA 0.134 4.535 4.340 0.101 0.000 0.223 275 R C 0.623 177.077 176.300 0.256 0.000 0.899 275 R CA 0.558 56.762 56.100 0.173 0.000 1.059 275 R CB 1.627 32.047 30.300 0.200 0.000 1.086 275 R HN -0.184 8.044 8.270 0.124 0.117 0.522 276 H N 0.221 119.323 119.070 0.054 0.000 2.505 276 H HA 0.448 5.217 4.556 0.080 -0.165 0.286 276 H C 0.392 175.795 175.328 0.124 0.000 1.072 276 H CA -0.703 55.400 56.048 0.092 0.000 1.141 276 H CB 0.658 30.491 29.762 0.120 0.000 1.550 276 H HN 0.184 8.438 8.280 0.324 0.220 0.547 277 Q N 0.592 120.491 119.800 0.165 0.000 2.248 277 Q HA -0.426 3.974 4.340 0.100 0.000 0.208 277 Q C 1.521 177.615 176.000 0.157 0.000 0.984 277 Q CA 4.460 60.333 55.803 0.118 0.000 0.875 277 Q CB -0.273 28.487 28.738 0.037 0.000 0.910 277 Q HN -0.157 8.123 8.270 0.135 0.071 0.433 278 E N -1.569 118.695 120.200 0.107 0.000 2.046 278 E HA -0.310 4.087 4.350 0.079 0.000 0.190 278 E C 2.587 179.247 176.600 0.101 0.000 0.982 278 E CA 3.307 59.754 56.400 0.078 0.000 0.800 278 E CB -0.539 29.174 29.700 0.022 0.000 0.756 278 E HN 0.296 8.665 8.360 0.081 0.039 0.449 279 Q N -0.436 119.424 119.800 0.100 0.000 2.123 279 Q HA -0.217 4.159 4.340 0.060 0.000 0.199 279 Q C 2.411 178.519 176.000 0.181 0.000 0.966 279 Q CA 2.919 58.784 55.803 0.103 0.000 0.845 279 Q CB -0.151 28.629 28.738 0.071 0.000 0.907 279 Q HN -0.579 7.659 8.270 0.074 0.077 0.439 280 F N 1.058 121.079 119.950 0.118 0.000 2.102 280 F HA -0.322 4.316 4.527 0.184 0.000 0.298 280 F C 1.992 177.883 175.800 0.151 0.000 1.105 280 F CA 3.454 61.552 58.000 0.163 0.000 1.239 280 F CB 0.275 39.376 39.000 0.168 0.000 0.991 280 F HN 0.230 8.774 8.300 0.407 0.000 0.474 281 I N -1.632 119.198 120.570 0.433 0.000 2.315 281 I HA -0.483 3.862 4.170 0.292 0.000 0.248 281 I C 1.361 177.545 176.117 0.112 0.000 1.117 281 I CA 2.713 64.170 61.300 0.262 0.000 1.404 281 I CB -0.288 37.840 38.000 0.213 0.000 1.071 281 I HN -0.461 8.014 8.210 0.443 0.000 0.419 282 Q N -1.382 118.474 119.800 0.094 0.000 2.291 282 Q HA -0.208 4.158 4.340 0.043 0.000 0.206 282 Q C 0.072 176.086 176.000 0.024 0.000 0.976 282 Q CA 2.173 58.005 55.803 0.049 0.000 0.875 282 Q CB 0.374 29.137 28.738 0.042 0.000 0.927 282 Q HN -0.607 7.737 8.270 0.124 0.000 0.450 318 P HA 0.042 4.485 4.420 0.038 0.000 0.237 318 P C -0.433 176.898 177.300 0.051 0.000 1.178 318 P CA 1.200 64.328 63.100 0.046 0.000 0.766 318 P CB 0.657 32.379 31.700 0.035 0.000 0.876 319 Q N -2.946 116.898 119.800 0.073 0.000 2.274 319 Q HA 0.019 4.396 4.340 0.061 0.000 0.198 319 Q C 1.922 177.987 176.000 0.109 0.000 0.955 319 Q CA 2.659 58.511 55.803 0.083 0.000 0.859 319 Q CB 0.442 29.237 28.738 0.095 0.000 0.956 319 Q HN 0.127 8.371 8.270 0.086 0.077 0.516 320 E N 0.288 120.589 120.200 0.168 0.000 2.208 320 E HA -0.225 4.315 4.350 0.317 0.000 0.193 320 E C 1.851 178.483 176.600 0.053 0.000 0.988 320 E CA 2.420 58.966 56.400 0.244 0.000 0.828 320 E CB -0.368 29.572 29.700 0.399 0.000 0.763 320 E HN 0.015 8.478 8.360 0.172 0.000 0.478 321 K N 0.280 120.710 120.400 0.050 0.000 2.218 321 K HA -0.394 3.923 4.320 -0.005 0.000 0.205 321 K C 1.609 178.180 176.600 -0.049 0.000 1.046 321 K CA 3.283 59.570 56.287 -0.000 0.000 0.933 321 K CB -0.170 32.342 32.500 0.021 0.000 0.728 321 K HN -0.094 8.183 8.250 0.082 0.023 0.454 322 E N -1.300 118.873 120.200 -0.045 0.000 2.110 322 E HA -0.300 4.019 4.350 -0.051 0.000 0.193 322 E C 2.120 178.640 176.600 -0.133 0.000 0.988 322 E CA 2.896 59.257 56.400 -0.065 0.000 0.804 322 E CB -0.279 29.399 29.700 -0.036 0.000 0.745 322 E HN -0.589 7.732 8.360 -0.012 0.032 0.458 323 A N -1.537 121.138 122.820 -0.242 0.000 2.067 323 A HA -0.175 3.969 4.320 -0.294 0.000 0.217 323 A C 1.597 178.966 177.584 -0.359 0.000 1.156 323 A CA 2.807 54.594 52.037 -0.417 0.000 0.683 323 A CB -0.465 17.953 19.000 -0.970 0.000 0.808 323 A HN -0.164 7.738 8.150 -0.223 0.115 0.455 324 I N -1.743 118.665 120.570 -0.270 0.000 2.429 324 I HA -0.282 3.790 4.170 -0.163 0.000 0.247 324 I C 1.645 177.710 176.117 -0.086 0.000 1.099 324 I CA 0.750 61.956 61.300 -0.157 0.000 1.422 324 I CB -1.066 36.871 38.000 -0.104 0.000 1.112 324 I HN -0.616 7.308 8.210 -0.239 0.143 0.430 325 E N 0.477 120.632 120.200 -0.075 0.000 2.160 325 E HA -0.384 3.942 4.350 -0.041 0.000 0.195 325 E C 2.771 179.334 176.600 -0.062 0.000 0.991 325 E CA 3.074 59.442 56.400 -0.053 0.000 0.810 325 E CB -0.965 28.709 29.700 -0.044 0.000 0.742 325 E HN 0.480 8.680 8.360 -0.082 0.110 0.466 326 R N -1.396 119.058 120.500 -0.076 0.000 2.057 326 R HA -0.216 4.080 4.340 -0.074 0.000 0.229 326 R C 2.134 178.391 176.300 -0.071 0.000 1.136 326 R CA 2.806 58.861 56.100 -0.076 0.000 0.952 326 R CB 0.150 30.403 30.300 -0.079 0.000 0.848 326 R HN -0.773 7.426 8.270 -0.092 0.016 0.430 327 L N -0.345 120.859 121.223 -0.031 0.000 1.989 327 L HA -0.364 4.065 4.340 0.149 0.000 0.211 327 L C 1.924 178.813 176.870 0.032 0.000 1.071 327 L CA 3.438 58.343 54.840 0.108 0.000 0.749 327 L CB -0.332 41.822 42.059 0.158 0.000 0.890 327 L HN -0.569 7.623 8.230 -0.064 0.000 0.431 328 K N -1.803 118.607 120.400 0.016 0.000 2.281 328 K HA -0.348 4.345 4.320 0.038 -0.349 0.203 328 K C 1.127 177.685 176.600 -0.071 0.000 1.046 328 K CA 2.530 58.815 56.287 -0.004 0.000 0.938 328 K CB 0.128 32.624 32.500 -0.007 0.000 0.737 328 K HN 0.146 8.289 8.250 0.002 0.109 0.458 329 A N -3.008 119.753 122.820 -0.099 0.000 2.044 329 A HA -0.004 4.257 4.320 -0.099 0.000 0.213 329 A C 1.577 179.042 177.584 -0.198 0.000 1.169 329 A CA 1.574 53.539 52.037 -0.120 0.000 0.724 329 A CB -0.145 18.800 19.000 -0.092 0.000 0.840 329 A HN -0.865 7.056 8.150 -0.085 0.177 0.463 330 L N -3.433 117.614 121.223 -0.294 0.000 2.275 330 L HA -0.280 3.864 4.340 -0.326 0.000 0.215 330 L C 1.117 177.610 176.870 -0.630 0.000 1.119 330 L CA 1.717 56.277 54.840 -0.467 0.000 0.790 330 L CB 0.363 42.056 42.059 -0.610 0.000 0.919 330 L HN 0.036 7.902 8.230 -0.247 0.216 0.443 331 G N -3.754 104.693 108.800 -0.588 0.000 2.425 331 G HA2 -0.233 3.584 3.960 -0.238 0.000 0.177 331 G HA3 -0.233 3.445 3.960 -0.469 0.000 0.177 331 G C -0.120 174.598 174.900 -0.302 0.000 0.999 331 G CA -0.551 44.291 45.100 -0.430 0.000 0.723 331 G HN -0.647 7.329 8.290 -0.462 0.037 0.491 332 F N 1.763 121.666 119.950 -0.079 0.000 2.378 332 F HA 0.376 4.866 4.527 -0.062 0.000 0.319 332 F C -0.871 174.904 175.800 -0.042 0.000 1.155 332 F CA -3.495 54.464 58.000 -0.069 0.000 1.157 332 F CB -1.383 37.560 39.000 -0.095 0.000 1.252 332 F HN -0.749 7.127 8.300 -0.707 0.000 0.550 333 P HA 0.030 4.494 4.420 0.074 0.000 0.323 333 P C -0.637 176.708 177.300 0.076 0.000 1.319 333 P CA -0.339 62.818 63.100 0.096 0.000 0.741 333 P CB 1.445 33.191 31.700 0.077 0.000 1.545 334 E N -1.926 118.304 120.200 0.051 0.000 2.592 334 E HA -0.077 4.294 4.350 0.037 0.000 0.184 334 E C 1.969 178.592 176.600 0.039 0.000 1.056 334 E CA 1.859 58.282 56.400 0.039 0.000 1.151 334 E CB 0.580 30.298 29.700 0.031 0.000 1.435 334 E HN 0.225 8.614 8.360 0.047 0.000 0.496 335 S N 0.972 116.696 115.700 0.041 0.000 2.380 335 S HA -0.292 4.209 4.470 0.052 0.000 0.229 335 S C 1.889 176.519 174.600 0.050 0.000 1.043 335 S CA 2.889 61.117 58.200 0.047 0.000 1.038 335 S CB -0.526 62.700 63.200 0.044 0.000 0.872 335 S HN 0.028 8.361 8.310 0.039 0.000 0.456 336 L N -1.800 119.448 121.223 0.043 0.000 2.395 336 L HA -0.124 4.247 4.340 0.053 0.000 0.218 336 L C 1.570 178.452 176.870 0.021 0.000 1.130 336 L CA 2.063 56.925 54.840 0.037 0.000 0.826 336 L CB -0.177 41.895 42.059 0.021 0.000 0.941 336 L HN -0.066 8.181 8.230 0.041 0.007 0.451 337 V N 0.339 120.263 119.914 0.017 0.000 2.391 337 V HA -0.275 3.821 4.120 -0.039 0.000 0.237 337 V C 1.652 177.744 176.094 -0.002 0.000 1.046 337 V CA 3.376 65.673 62.300 -0.005 0.000 1.053 337 V CB -0.116 31.721 31.823 0.024 0.000 0.704 337 V HN 0.007 8.035 8.190 0.030 0.180 0.475 338 I N -0.611 119.961 120.570 0.004 0.000 2.315 338 I HA -0.492 3.654 4.170 -0.041 0.000 0.251 338 I C 1.367 177.486 176.117 0.004 0.000 1.125 338 I CA 3.153 64.453 61.300 -0.002 0.000 1.392 338 I CB -0.660 37.360 38.000 0.033 0.000 1.065 338 I HN 0.102 8.221 8.210 0.015 0.101 0.424 339 Q N -1.435 118.401 119.800 0.060 0.000 1.984 339 Q HA -0.190 4.279 4.340 0.213 0.000 0.196 339 Q C 2.142 178.208 176.000 0.111 0.000 0.975 339 Q CA 2.760 58.639 55.803 0.127 0.000 0.827 339 Q CB 0.265 29.077 28.738 0.124 0.000 0.894 339 Q HN -0.616 7.671 8.270 0.059 0.018 0.438 340 A N -0.542 122.344 122.820 0.110 0.000 2.042 340 A HA -0.289 4.147 4.320 0.193 0.000 0.222 340 A C 1.346 179.013 177.584 0.139 0.000 1.167 340 A CA 2.366 54.500 52.037 0.163 0.000 0.649 340 A CB -1.062 18.039 19.000 0.169 0.000 0.809 340 A HN -0.443 7.763 8.150 0.094 0.000 0.457 341 Y N -1.317 118.886 120.300 -0.162 0.000 2.139 341 Y HA -0.379 4.075 4.550 -0.161 0.000 0.282 341 Y C 1.360 177.106 175.900 -0.257 0.000 1.179 341 Y CA 1.300 59.227 58.100 -0.289 0.000 1.161 341 Y CB 0.141 38.277 38.460 -0.541 0.000 0.970 341 Y HN -0.424 7.853 8.280 0.061 0.039 0.511 342 F N -2.708 117.171 119.950 -0.119 0.000 2.626 342 F HA -0.136 4.144 4.527 -0.412 0.000 0.374 342 F C -0.261 175.473 175.800 -0.109 0.000 1.184 342 F CA -0.270 57.592 58.000 -0.231 0.000 1.339 342 F CB -2.652 36.254 39.000 -0.157 0.000 1.730 342 F HN -0.463 7.585 8.300 -0.409 0.006 0.650 343 A N 1.794 124.643 122.820 0.048 0.000 1.832 343 A HA -0.122 4.182 4.320 -0.026 0.000 0.214 343 A C -0.163 177.406 177.584 -0.025 0.000 1.242 343 A CA 1.986 54.027 52.037 0.007 0.000 0.603 343 A CB 0.647 19.680 19.000 0.056 0.000 0.902 343 A HN 0.661 8.741 8.150 0.011 0.077 0.455 344 C N -3.843 115.451 119.300 -0.009 0.000 2.857 344 C HA 0.023 4.464 4.460 -0.032 0.000 0.328 344 C C -0.075 174.910 174.990 -0.007 0.000 1.957 344 C CA 0.331 59.338 59.018 -0.018 0.000 2.134 344 C CB 0.812 28.543 27.740 -0.016 0.000 1.814 344 C HN 0.128 8.366 8.230 0.014 0.000 0.703 345 E N -0.426 119.777 120.200 0.006 0.000 2.685 345 E HA 0.046 4.395 4.350 -0.001 0.000 0.208 345 E C -1.472 175.134 176.600 0.009 0.000 0.996 345 E CA -0.441 55.964 56.400 0.008 0.000 1.054 345 E CB 0.365 30.076 29.700 0.018 0.000 1.075 345 E HN -0.201 8.170 8.360 0.018 0.000 0.460 346 K N -2.658 117.722 120.400 -0.034 0.000 3.209 346 K HA -0.418 3.592 4.320 -0.517 0.000 0.289 346 K C -1.695 174.988 176.600 0.138 0.000 1.191 346 K CA 0.910 57.099 56.287 -0.162 0.000 0.851 346 K CB -1.557 30.876 32.500 -0.111 0.000 1.242 346 K HN 0.190 8.355 8.250 -0.031 0.066 0.480 347 N N -3.336 115.451 118.700 0.145 0.000 2.381 347 N HA 0.034 4.871 4.740 0.161 0.000 0.289 347 N C -0.235 175.410 175.510 0.225 0.000 1.288 347 N CA 0.706 53.858 53.050 0.169 0.000 0.960 347 N CB 0.909 39.454 38.487 0.097 0.000 1.116 347 N HN -0.176 8.218 8.380 0.084 0.037 0.557 348 E N -2.620 117.655 120.200 0.125 0.000 2.538 348 E HA 0.149 4.543 4.350 0.075 0.000 0.207 348 E C -0.783 175.851 176.600 0.057 0.000 1.002 348 E CA 0.591 57.035 56.400 0.073 0.000 0.952 348 E CB 0.740 30.456 29.700 0.027 0.000 1.031 348 E HN 0.561 8.978 8.360 0.095 0.000 0.476 349 N N -1.532 117.212 118.700 0.074 0.000 2.594 349 N HA 0.023 4.837 4.740 0.039 -0.051 0.237 349 N C 0.822 176.393 175.510 0.102 0.000 1.057 349 N CA 0.917 54.004 53.050 0.062 0.000 0.883 349 N CB 0.304 38.821 38.487 0.050 0.000 1.538 349 N HN -0.184 8.191 8.380 0.089 0.058 0.451 350 L N -0.520 120.766 121.223 0.105 0.000 2.010 350 L HA -0.332 4.071 4.340 0.105 0.000 0.219 350 L C 2.068 179.083 176.870 0.240 0.000 1.077 350 L CA 3.690 58.601 54.840 0.118 0.000 0.773 350 L CB -0.926 41.173 42.059 0.066 0.000 0.892 350 L HN 0.120 8.403 8.230 0.088 0.000 0.436 351 A N -2.780 120.185 122.820 0.241 0.000 1.874 351 A HA -0.272 4.410 4.320 0.604 0.000 0.214 351 A C 1.383 179.104 177.584 0.229 0.000 1.189 351 A CA 2.763 55.027 52.037 0.379 0.000 0.615 351 A CB -0.540 18.607 19.000 0.245 0.000 0.830 351 A HN 0.384 8.646 8.150 0.178 -0.005 0.443 352 A N -2.151 120.695 122.820 0.045 0.000 1.855 352 A HA -0.245 3.876 4.320 -0.331 0.000 0.213 352 A C 1.688 179.182 177.584 -0.151 0.000 1.195 352 A CA 2.586 54.526 52.037 -0.162 0.000 0.610 352 A CB -0.842 18.090 19.000 -0.113 0.000 0.837 352 A HN -0.084 8.115 8.150 0.082 0.000 0.444 353 N N 0.105 118.793 118.700 -0.019 0.000 2.060 353 N HA -0.305 4.421 4.740 -0.023 0.000 0.195 353 N C 1.869 177.389 175.510 0.016 0.000 1.028 353 N CA 3.114 56.167 53.050 0.006 0.000 0.861 353 N CB -0.523 38.001 38.487 0.061 0.000 1.029 353 N HN 0.046 8.310 8.380 0.023 0.130 0.428 354 F N -2.023 117.905 119.950 -0.037 0.000 2.407 354 F HA -0.084 4.434 4.527 -0.015 0.000 0.299 354 F C 1.175 176.949 175.800 -0.043 0.000 1.097 354 F CA 2.168 60.152 58.000 -0.027 0.000 1.422 354 F CB -0.099 38.890 39.000 -0.018 0.000 1.067 354 F HN -0.629 7.856 8.300 0.305 -0.002 0.539 355 L N -0.119 120.467 121.223 -1.061 0.000 2.270 355 L HA -0.172 3.353 4.340 -1.359 0.000 0.210 355 L C 1.146 177.708 176.870 -0.514 0.000 1.104 355 L CA 2.616 56.830 54.840 -1.043 0.000 0.804 355 L CB -0.026 41.527 42.059 -0.843 0.000 0.937 355 L HN -0.372 7.332 8.230 -0.608 0.161 0.450 356 L N -2.467 118.542 121.223 -0.357 0.000 2.307 356 L HA -0.176 4.050 4.340 -0.190 0.000 0.211 356 L C 1.419 178.267 176.870 -0.037 0.000 1.099 356 L CA 2.764 57.494 54.840 -0.184 0.000 0.816 356 L CB 0.097 42.055 42.059 -0.169 0.000 0.952 356 L HN 0.476 8.288 8.230 -0.340 0.214 0.455 357 S N -2.095 113.570 115.700 -0.057 0.000 2.446 357 S HA -0.063 4.430 4.470 0.038 0.000 0.225 357 S C 1.098 175.703 174.600 0.009 0.000 1.016 357 S CA 2.584 60.790 58.200 0.009 0.000 0.943 357 S CB 0.563 63.779 63.200 0.026 0.000 0.786 357 S HN -0.472 7.773 8.310 -0.108 0.000 0.508 358 Q N -0.563 119.211 119.800 -0.044 0.000 2.250 358 Q HA -0.033 4.321 4.340 0.024 0.000 0.200 358 Q C 0.805 176.792 176.000 -0.021 0.000 0.941 358 Q CA 1.770 57.562 55.803 -0.019 0.000 0.872 358 Q CB 0.555 29.271 28.738 -0.036 0.000 0.965 358 Q HN -0.532 7.660 8.270 -0.130 0.000 0.480 359 N N -1.721 116.963 118.700 -0.027 0.000 2.413 359 N HA -0.076 4.672 4.740 0.013 0.000 0.193 359 N C 0.013 175.595 175.510 0.121 0.000 1.043 359 N CA 0.831 53.910 53.050 0.049 0.000 0.910 359 N CB 1.025 39.552 38.487 0.068 0.000 1.111 359 N HN -0.731 7.601 8.380 -0.079 0.000 0.452 360 F N 0.000 119.914 119.950 -0.060 0.000 2.286 360 F HA 0.000 4.520 4.527 -0.012 0.000 0.279 360 F CA 0.000 57.986 58.000 -0.023 0.000 1.383 360 F CB 0.000 38.996 39.000 -0.006 0.000 1.145 360 F HN 0.000 8.527 8.300 0.379 0.000 0.574