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 3mwo_1_A DATA FIRST_RESID 4 DATA SEQUENCE HWGYGKHNGP EHWHKDFPIA KGERQSPVDI DTHTAKYDPS LKPLSVSYDQ DATA SEQUENCE ATSLRILNNG HAFNVEFDDS QDKAVLKGGP LDGTYRLIQF HFHWGSLDGQ DATA SEQUENCE GSEHTVDKKK YAAELHLVHW NTXKYGDFGK AVQQPDGLAV LGIFLKVGSA DATA SEQUENCE KPGLQKVVDV LDSIKTKGKS ADFTNFDPRG LLPESLDYWT YPGSLTTPPL DATA SEQUENCE LECVTWIVLK EPISVSSEQV LKFRKLNFNG EGEPEELMVD NWRPAQPLKN DATA SEQUENCE RQIKASFK 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 4 H HA 0.000 4.580 4.556 0.040 0.000 0.296 4 H C 0.000 175.305 175.328 -0.038 0.000 0.993 4 H CA 0.000 56.026 56.048 -0.037 0.000 1.023 4 H CB 0.000 29.684 29.762 -0.130 0.000 1.292 5 W N 1.016 121.978 121.300 -0.563 0.000 2.150 5 W HA -0.067 4.504 4.660 -0.148 0.000 0.341 5 W C -1.622 174.697 176.519 -0.333 0.000 1.276 5 W CA -0.807 56.304 57.345 -0.390 0.000 1.238 5 W CB 0.931 30.005 29.460 -0.644 0.000 1.128 5 W HN 0.026 7.723 8.180 -0.805 0.000 0.581 6 G N -2.326 106.515 108.800 0.067 0.000 2.604 6 G HA2 0.211 3.874 3.960 -0.495 0.000 0.242 6 G HA3 0.211 3.998 3.960 -0.288 0.000 0.242 6 G C -2.506 172.317 174.900 -0.128 0.000 1.208 6 G CA 0.084 45.049 45.100 -0.225 0.000 0.912 6 G HN -0.244 8.297 8.290 0.419 0.000 0.502 7 Y N 0.557 120.820 120.300 -0.061 0.000 2.707 7 Y HA 0.350 4.921 4.550 0.035 0.000 0.249 7 Y C 0.150 175.970 175.900 -0.134 0.000 1.166 7 Y CA -0.939 57.126 58.100 -0.059 0.000 1.184 7 Y CB 1.255 39.669 38.460 -0.077 0.000 1.240 7 Y HN 0.152 8.328 8.280 -0.173 0.000 0.547 8 G N 0.208 108.989 108.800 -0.031 0.000 2.543 8 G HA2 0.229 4.181 3.960 -0.014 0.000 0.290 8 G HA3 0.229 4.173 3.960 -0.027 0.000 0.290 8 G C -1.057 173.815 174.900 -0.048 0.000 1.310 8 G CA -0.826 44.257 45.100 -0.029 0.000 1.025 8 G HN -0.193 8.330 8.290 -0.059 -0.268 0.502 9 K N -1.442 118.905 120.400 -0.090 0.000 2.097 9 K HA -0.284 3.942 4.320 -0.158 0.000 0.206 9 K C 1.215 177.636 176.600 -0.298 0.000 1.049 9 K CA 2.580 58.727 56.287 -0.233 0.000 0.933 9 K CB 0.015 32.282 32.500 -0.388 0.000 0.717 9 K HN 0.295 8.511 8.250 -0.057 0.000 0.442 10 H N -7.535 111.497 119.070 -0.065 0.000 2.622 10 H HA 0.183 4.576 4.556 -0.272 0.000 0.269 10 H C -0.249 174.676 175.328 -0.672 0.000 0.977 10 H CA 0.980 56.851 56.048 -0.294 0.000 1.179 10 H CB 0.433 30.093 29.762 -0.170 0.000 1.458 10 H HN 0.043 8.267 8.280 -0.065 0.018 0.531 11 N N -3.585 114.979 118.700 -0.227 0.000 2.167 11 N HA 0.073 4.686 4.740 -0.212 0.000 0.234 11 N C -0.286 175.319 175.510 0.159 0.000 1.312 11 N CA -0.655 52.339 53.050 -0.093 0.000 0.861 11 N CB 0.420 38.894 38.487 -0.021 0.000 1.217 11 N HN -0.883 7.439 8.380 -0.095 0.000 0.504 12 G N 1.646 110.504 108.800 0.097 0.000 2.553 12 G HA2 0.249 4.346 3.960 -0.032 0.000 0.278 12 G HA3 0.249 4.221 3.960 -0.133 -0.092 0.278 12 G C -1.674 172.850 174.900 -0.626 0.000 1.349 12 G CA -1.519 43.520 45.100 -0.101 0.000 1.037 12 G HN -0.330 8.028 8.290 0.113 0.000 0.508 13 P HA -0.239 2.178 4.420 -3.338 0.000 0.217 13 P C 1.176 177.978 177.300 -0.831 0.000 1.148 13 P CA 2.374 64.421 63.100 -1.755 0.000 0.834 13 P CB 0.040 31.067 31.700 -1.123 0.000 0.783 14 E N -4.839 115.077 120.200 -0.473 0.000 2.478 14 E HA -0.226 3.976 4.350 -0.246 0.000 0.198 14 E C 0.737 177.208 176.600 -0.214 0.000 1.046 14 E CA 1.865 58.081 56.400 -0.305 0.000 0.870 14 E CB -1.490 28.018 29.700 -0.320 0.000 0.818 14 E HN 0.402 8.485 8.360 -0.432 0.018 0.527 15 H N -3.519 115.504 119.070 -0.078 0.000 2.654 15 H HA 0.230 4.815 4.556 0.048 0.000 0.264 15 H C 1.766 177.178 175.328 0.139 0.000 0.954 15 H CA 1.313 57.388 56.048 0.046 0.000 1.199 15 H CB 1.361 31.159 29.762 0.060 0.000 1.446 15 H HN 0.027 8.077 8.280 -0.105 0.168 0.516 16 W N -0.660 120.710 121.300 0.118 0.000 2.350 16 W HA -0.293 4.445 4.660 0.129 0.000 0.289 16 W C 1.398 177.979 176.519 0.103 0.000 1.215 16 W CA 2.651 60.054 57.345 0.097 0.000 1.236 16 W CB -1.370 28.081 29.460 -0.014 0.000 1.130 16 W HN -0.759 7.520 8.180 0.165 0.000 0.541 17 H N -3.590 115.639 119.070 0.266 0.000 2.489 17 H HA -0.147 4.742 4.556 0.180 -0.225 0.295 17 H C 2.067 177.450 175.328 0.091 0.000 1.082 17 H CA 2.006 58.147 56.048 0.155 0.000 1.295 17 H CB -0.883 28.924 29.762 0.075 0.000 1.380 17 H HN 0.114 8.631 8.280 0.432 0.022 0.548 18 K N -0.775 119.295 120.400 -0.549 0.000 2.057 18 K HA -0.289 3.809 4.320 -0.370 0.000 0.206 18 K C 1.628 178.088 176.600 -0.235 0.000 1.050 18 K CA 2.720 58.776 56.287 -0.385 0.000 0.935 18 K CB -0.207 32.102 32.500 -0.318 0.000 0.715 18 K HN -0.527 7.336 8.250 -0.589 0.033 0.439 19 D N -3.488 116.747 120.400 -0.276 0.000 2.249 19 D HA -0.038 4.304 4.640 -0.497 0.000 0.205 19 D C 0.223 175.969 176.300 -0.923 0.000 0.962 19 D CA 1.892 55.511 54.000 -0.635 0.000 0.860 19 D CB 1.032 41.311 40.800 -0.868 0.000 0.955 19 D HN -0.609 7.654 8.370 -0.178 0.000 0.505 20 F N -2.226 117.696 119.950 -0.046 0.000 2.809 20 F HA 0.504 5.003 4.527 -0.048 0.000 0.369 20 F C -1.989 173.823 175.800 0.020 0.000 1.225 20 F CA -3.411 54.563 58.000 -0.044 0.000 1.201 20 F CB 0.252 39.178 39.000 -0.123 0.000 1.527 20 F HN -0.435 7.754 8.300 -0.035 0.090 0.565 21 P HA -0.157 4.505 4.420 0.166 -0.142 0.221 21 P C 1.284 178.661 177.300 0.128 0.000 1.145 21 P CA 1.764 64.940 63.100 0.126 0.000 0.795 21 P CB 0.118 31.860 31.700 0.070 0.000 0.775 22 I N -3.444 117.200 120.570 0.123 0.000 2.850 22 I HA -0.287 3.930 4.170 0.078 0.000 0.266 22 I C 0.564 176.744 176.117 0.106 0.000 1.257 22 I CA 0.795 62.153 61.300 0.096 0.000 1.465 22 I CB -0.400 37.648 38.000 0.080 0.000 1.091 22 I HN -0.345 7.908 8.210 0.133 0.037 0.467 23 A N 0.237 123.148 122.820 0.151 0.000 2.032 23 A HA -0.250 4.343 4.320 0.143 -0.187 0.221 23 A C 0.881 178.524 177.584 0.099 0.000 1.165 23 A CA 2.531 54.663 52.037 0.157 0.000 0.645 23 A CB -0.212 18.940 19.000 0.254 0.000 0.807 23 A HN -0.098 8.112 8.150 0.187 0.053 0.453 24 K N -3.766 116.680 120.400 0.078 0.000 2.493 24 K HA 0.160 4.484 4.320 0.007 0.000 0.207 24 K C -0.461 176.157 176.600 0.028 0.000 1.033 24 K CA -1.094 55.208 56.287 0.024 0.000 1.161 24 K CB -0.080 32.412 32.500 -0.014 0.000 0.873 24 K HN -0.647 7.634 8.250 0.096 0.027 0.491 25 G N -0.990 107.838 108.800 0.047 0.000 2.553 25 G HA2 -0.049 3.935 3.960 0.040 0.000 0.278 25 G HA3 -0.049 4.119 3.960 0.054 -0.175 0.278 25 G C 0.358 175.284 174.900 0.044 0.000 1.349 25 G CA -0.741 44.387 45.100 0.046 0.000 1.037 25 G HN -0.241 7.925 8.290 0.060 0.160 0.508 26 E N -1.436 118.793 120.200 0.048 0.000 2.474 26 E HA 0.021 4.396 4.350 0.041 0.000 0.194 26 E C -0.181 176.463 176.600 0.073 0.000 1.041 26 E CA 0.490 56.920 56.400 0.050 0.000 0.874 26 E CB 0.239 29.965 29.700 0.044 0.000 0.914 26 E HN 0.353 8.742 8.360 0.049 0.000 0.498 27 R N -2.670 117.885 120.500 0.092 0.000 2.688 27 R HA 0.300 4.731 4.340 0.153 0.000 0.396 27 R C -1.571 174.828 176.300 0.165 0.000 1.081 27 R CA -1.360 54.822 56.100 0.137 0.000 1.093 27 R CB 0.417 30.795 30.300 0.131 0.000 1.338 27 R HN -0.555 7.998 8.270 0.085 -0.231 0.613 28 Q N -0.287 119.592 119.800 0.132 0.000 2.260 28 Q HA 0.095 4.521 4.340 0.144 0.000 0.242 28 Q C -0.586 175.499 176.000 0.142 0.000 0.932 28 Q CA -0.596 55.285 55.803 0.129 0.000 0.891 28 Q CB 1.908 30.695 28.738 0.083 0.000 1.222 28 Q HN -0.044 8.289 8.270 0.104 0.000 0.453 29 S N 1.006 116.784 115.700 0.131 0.000 2.599 29 S HA 0.563 5.029 4.470 -0.007 0.000 0.294 29 S C -2.522 172.039 174.600 -0.066 0.000 1.094 29 S CA -2.713 55.499 58.200 0.019 0.000 0.931 29 S CB 1.993 65.203 63.200 0.017 0.000 1.093 29 S HN 0.149 8.547 8.310 0.146 0.000 0.488 30 P HA 0.341 4.262 4.420 -0.830 0.000 0.289 30 P C -1.153 175.944 177.300 -0.338 0.000 1.299 30 P CA -1.007 61.710 63.100 -0.639 0.000 0.766 30 P CB 1.331 32.484 31.700 -0.911 0.000 1.226 31 V N -8.959 110.748 119.914 -0.345 0.000 3.130 31 V HA 0.437 4.447 4.120 -0.182 0.000 0.310 31 V C -1.527 174.482 176.094 -0.142 0.000 1.158 31 V CA -3.316 58.846 62.300 -0.229 0.000 1.029 31 V CB 3.361 34.957 31.823 -0.379 0.000 1.057 31 V HN -0.522 7.423 8.190 -0.409 0.000 0.436 32 D N 0.826 121.147 120.400 -0.132 0.000 2.351 32 D HA 0.072 4.792 4.640 -0.081 -0.128 0.251 32 D C 0.258 176.451 176.300 -0.179 0.000 1.137 32 D CA 0.392 54.323 54.000 -0.116 0.000 0.879 32 D CB 0.701 41.441 40.800 -0.100 0.000 1.181 32 D HN 0.203 8.494 8.370 -0.131 0.000 0.448 33 I N 6.648 127.092 120.570 -0.211 0.000 2.287 33 I HA -0.029 3.929 4.170 -0.353 0.000 0.290 33 I C -1.364 174.547 176.117 -0.343 0.000 1.069 33 I CA -0.653 60.423 61.300 -0.372 0.000 1.237 33 I CB 0.529 38.151 38.000 -0.631 0.000 1.418 33 I HN 0.483 8.591 8.210 -0.169 0.000 0.481 34 D N 8.012 128.267 120.400 -0.243 0.000 2.374 34 D HA 0.287 5.024 4.640 -0.128 -0.174 0.240 34 D C 1.331 177.534 176.300 -0.162 0.000 1.229 34 D CA -1.520 52.391 54.000 -0.148 0.000 0.895 34 D CB 0.396 41.151 40.800 -0.075 0.000 1.046 34 D HN 0.317 8.554 8.370 -0.221 0.000 0.498 35 T N 4.604 119.045 114.554 -0.189 0.000 2.915 35 T HA -0.204 4.070 4.350 -0.126 0.000 0.269 35 T C 1.573 176.187 174.700 -0.143 0.000 1.071 35 T CA 2.707 64.714 62.100 -0.155 0.000 1.132 35 T CB 0.098 68.899 68.868 -0.110 0.000 0.878 35 T HN 0.363 8.808 8.240 -0.178 -0.312 0.479 36 H N -0.883 118.205 119.070 0.029 0.000 2.470 36 H HA 0.100 4.686 4.556 0.050 0.000 0.289 36 H C 1.093 176.432 175.328 0.018 0.000 1.033 36 H CA 2.259 58.325 56.048 0.031 0.000 1.331 36 H CB 0.224 29.997 29.762 0.018 0.000 1.414 36 H HN -0.643 7.739 8.280 -0.027 -0.118 0.545 37 T N -1.725 112.884 114.554 0.091 0.000 3.057 37 T HA -0.053 4.334 4.350 0.061 0.000 0.254 37 T C -0.641 174.077 174.700 0.030 0.000 1.094 37 T CA 0.884 63.014 62.100 0.049 0.000 1.088 37 T CB 1.106 69.987 68.868 0.021 0.000 0.934 37 T HN -0.790 7.673 8.240 0.063 -0.185 0.497 38 A N 2.007 124.840 122.820 0.021 0.000 2.511 38 A HA -0.117 4.393 4.320 0.042 -0.164 0.242 38 A C -1.320 176.299 177.584 0.058 0.000 1.069 38 A CA 0.322 52.388 52.037 0.049 0.000 0.763 38 A CB 0.833 19.895 19.000 0.103 0.000 1.001 38 A HN -0.729 7.424 8.150 0.005 0.000 0.498 39 K N 4.750 125.182 120.400 0.054 0.000 2.213 39 K HA 0.277 4.628 4.320 0.052 0.000 0.270 39 K C -0.425 176.194 176.600 0.031 0.000 1.002 39 K CA -1.568 54.744 56.287 0.043 0.000 0.868 39 K CB 2.094 34.611 32.500 0.027 0.000 1.093 39 K HN -0.336 7.950 8.250 0.059 0.000 0.454 40 Y N 8.980 129.215 120.300 -0.109 0.000 2.721 40 Y HA -0.162 4.439 4.550 -0.233 -0.190 0.329 40 Y C -0.600 175.245 175.900 -0.091 0.000 1.211 40 Y CA -0.192 57.813 58.100 -0.157 0.000 1.512 40 Y CB 0.292 38.662 38.460 -0.151 0.000 1.249 40 Y HN 0.465 8.833 8.280 0.147 0.000 0.549 41 D N 8.480 128.525 120.400 -0.592 0.000 2.461 41 D HA 0.459 4.830 4.640 -0.448 0.000 0.240 41 D C -1.641 174.220 176.300 -0.732 0.000 1.094 41 D CA -3.285 50.403 54.000 -0.521 0.000 0.868 41 D CB 1.038 41.705 40.800 -0.221 0.000 1.062 41 D HN 0.043 8.128 8.370 -0.476 0.000 0.530 42 P HA -0.009 4.048 4.420 -0.606 0.000 0.226 42 P C -0.088 177.076 177.300 -0.225 0.000 1.153 42 P CA 0.921 63.698 63.100 -0.538 0.000 0.777 42 P CB 0.280 31.800 31.700 -0.301 0.000 0.794 43 S N -2.714 112.872 115.700 -0.190 0.000 2.527 43 S HA -0.104 4.324 4.470 -0.071 0.000 0.222 43 S C 0.101 174.666 174.600 -0.058 0.000 0.985 43 S CA 0.549 58.693 58.200 -0.093 0.000 0.921 43 S CB 0.239 63.397 63.200 -0.070 0.000 0.772 43 S HN -0.332 8.064 8.310 -0.223 -0.219 0.529 44 L N 2.445 123.623 121.223 -0.074 0.000 2.453 44 L HA -0.241 4.120 4.340 0.036 0.000 0.272 44 L C -0.171 176.722 176.870 0.038 0.000 1.182 44 L CA 0.616 55.461 54.840 0.008 0.000 0.858 44 L CB 0.117 42.186 42.059 0.016 0.000 1.120 44 L HN -0.767 7.346 8.230 -0.137 0.035 0.474 45 K N 4.824 125.268 120.400 0.074 0.000 2.098 45 K HA 0.291 4.638 4.320 0.045 0.000 0.257 45 K C -1.758 174.916 176.600 0.124 0.000 0.999 45 K CA -2.511 53.815 56.287 0.066 0.000 0.924 45 K CB -0.727 31.792 32.500 0.032 0.000 1.028 45 K HN -0.188 8.109 8.250 0.078 0.000 0.466 46 P HA -0.085 4.430 4.420 0.158 0.000 0.266 46 P C -0.975 176.364 177.300 0.065 0.000 1.195 46 P CA -0.002 63.159 63.100 0.101 0.000 0.768 46 P CB 0.256 31.980 31.700 0.039 0.000 0.838 47 L N 3.107 124.371 121.223 0.067 0.000 2.453 47 L HA 0.026 4.272 4.340 -0.157 0.000 0.272 47 L C -0.177 176.623 176.870 -0.116 0.000 1.182 47 L CA 0.474 55.251 54.840 -0.106 0.000 0.858 47 L CB 0.833 42.772 42.059 -0.200 0.000 1.120 47 L HN 0.335 8.662 8.230 0.162 0.000 0.474 48 S N 6.216 121.823 115.700 -0.156 0.000 2.448 48 S HA 0.290 4.678 4.470 -0.136 0.000 0.320 48 S C -1.407 173.054 174.600 -0.233 0.000 1.071 48 S CA -1.252 56.855 58.200 -0.155 0.000 1.113 48 S CB 0.420 63.551 63.200 -0.116 0.000 0.972 48 S HN 0.434 8.641 8.310 -0.173 0.000 0.465 49 V N 8.927 128.672 119.914 -0.282 0.000 2.334 49 V HA 0.206 4.022 4.120 -0.507 0.000 0.281 49 V C -0.738 175.113 176.094 -0.404 0.000 1.016 49 V CA -0.751 61.265 62.300 -0.473 0.000 0.832 49 V CB 1.217 32.678 31.823 -0.603 0.000 0.999 49 V HN 0.621 8.666 8.190 -0.241 0.000 0.439 50 S N 8.834 124.353 115.700 -0.301 0.000 2.516 50 S HA 0.344 4.749 4.470 -0.108 0.000 0.268 50 S C -1.301 173.349 174.600 0.084 0.000 1.251 50 S CA -0.898 57.238 58.200 -0.106 0.000 1.153 50 S CB 0.664 63.834 63.200 -0.051 0.000 1.009 50 S HN 0.465 8.609 8.310 -0.276 0.000 0.479 51 Y N 3.468 123.752 120.300 -0.027 0.000 2.507 51 Y HA 0.121 4.656 4.550 -0.024 0.000 0.254 51 Y C 0.697 176.595 175.900 -0.003 0.000 1.171 51 Y CA -1.675 56.413 58.100 -0.020 0.000 1.238 51 Y CB 0.089 38.535 38.460 -0.024 0.000 1.148 51 Y HN 0.580 8.899 8.280 0.065 0.000 0.525 52 D N -0.983 119.498 120.400 0.135 0.000 2.182 52 D HA -0.287 4.397 4.640 0.074 0.000 0.201 52 D C 0.620 176.963 176.300 0.071 0.000 0.986 52 D CA 2.490 56.536 54.000 0.078 0.000 0.847 52 D CB -0.801 40.024 40.800 0.042 0.000 0.942 52 D HN 0.006 8.440 8.370 0.107 0.000 0.467 53 Q N -2.707 117.142 119.800 0.080 0.000 2.198 53 Q HA 0.176 4.553 4.340 0.061 0.000 0.209 53 Q C -0.640 175.416 176.000 0.093 0.000 0.848 53 Q CA -1.066 54.780 55.803 0.071 0.000 0.974 53 Q CB 0.157 28.929 28.738 0.057 0.000 1.115 53 Q HN -0.604 7.697 8.270 0.091 0.023 0.494 54 A N 0.814 123.699 122.820 0.108 0.000 2.540 54 A HA -0.094 4.302 4.320 0.127 0.000 0.239 54 A C -0.447 177.284 177.584 0.245 0.000 1.061 54 A CA 0.872 52.998 52.037 0.149 0.000 0.758 54 A CB 0.351 19.382 19.000 0.050 0.000 0.991 54 A HN -0.772 7.286 8.150 0.106 0.155 0.502 55 T N 5.338 120.092 114.554 0.333 0.000 2.934 55 T HA 0.213 4.648 4.350 0.142 0.000 0.328 55 T C -0.977 173.804 174.700 0.134 0.000 1.068 55 T CA -1.305 60.917 62.100 0.204 0.000 1.018 55 T CB 0.822 69.765 68.868 0.124 0.000 1.009 55 T HN 0.265 8.743 8.240 0.398 0.000 0.471 56 S N 5.966 121.581 115.700 -0.142 0.000 2.592 56 S HA -0.037 3.765 4.470 -1.113 0.000 0.271 56 S C -0.115 174.329 174.600 -0.259 0.000 1.326 56 S CA -0.002 57.829 58.200 -0.616 0.000 1.024 56 S CB 1.061 63.889 63.200 -0.619 0.000 0.921 56 S HN 0.455 8.734 8.310 -0.052 0.000 0.527 57 L N 0.188 121.268 121.223 -0.238 0.000 2.588 57 L HA 0.348 4.645 4.340 -0.072 0.000 0.194 57 L C 0.116 176.958 176.870 -0.046 0.000 1.070 57 L CA 1.002 55.784 54.840 -0.097 0.000 0.852 57 L CB 1.737 43.760 42.059 -0.060 0.000 1.199 57 L HN 0.812 8.844 8.230 -0.330 0.000 0.486 58 R N -5.391 115.074 120.500 -0.057 0.000 2.710 58 R HA 0.566 5.121 4.340 0.029 -0.197 0.270 58 R C -2.544 173.703 176.300 -0.088 0.000 1.021 58 R CA -0.963 55.122 56.100 -0.026 0.000 0.889 58 R CB 5.003 35.276 30.300 -0.046 0.000 1.243 58 R HN -0.689 7.512 8.270 -0.115 0.000 0.464 59 I N 0.542 121.027 120.570 -0.142 0.000 2.509 59 I HA 0.965 5.208 4.170 -0.256 -0.227 0.293 59 I C -2.819 173.194 176.117 -0.174 0.000 1.020 59 I CA -2.679 58.458 61.300 -0.272 0.000 1.088 59 I CB 3.979 41.602 38.000 -0.628 0.000 1.267 59 I HN 0.314 8.461 8.210 -0.105 0.000 0.430 60 L N 7.129 128.280 121.223 -0.121 0.000 2.431 60 L HA 0.626 5.062 4.340 -0.085 -0.148 0.266 60 L C -2.903 173.945 176.870 -0.037 0.000 0.978 60 L CA -1.070 53.721 54.840 -0.080 0.000 0.822 60 L CB 4.578 46.591 42.059 -0.076 0.000 1.310 60 L HN 0.121 8.289 8.230 -0.103 0.000 0.409 61 N N 4.263 122.942 118.700 -0.034 0.000 2.420 61 N HA 0.316 5.241 4.740 0.036 -0.164 0.249 61 N C -0.427 175.055 175.510 -0.047 0.000 1.033 61 N CA -1.211 51.836 53.050 -0.005 0.000 0.944 61 N CB 1.130 39.618 38.487 0.003 0.000 1.113 61 N HN 0.223 8.573 8.380 -0.049 0.000 0.502 62 N N 7.448 126.078 118.700 -0.117 0.000 2.270 62 N HA 0.083 4.769 4.740 -0.091 0.000 0.198 62 N C 0.933 176.369 175.510 -0.123 0.000 1.117 62 N CA -0.900 52.053 53.050 -0.162 0.000 0.845 62 N CB -0.455 37.862 38.487 -0.283 0.000 0.980 62 N HN -0.129 8.160 8.380 -0.152 0.000 0.486 63 G N -0.728 108.054 108.800 -0.031 0.000 2.217 63 G HA2 -0.352 3.698 3.960 0.151 0.000 0.246 63 G HA3 -0.352 3.655 3.960 0.077 0.000 0.246 63 G C -0.420 174.638 174.900 0.264 0.000 0.990 63 G CA 0.973 46.136 45.100 0.106 0.000 0.627 63 G HN 0.321 8.859 8.290 -0.016 -0.258 0.522 64 H N -3.069 116.104 119.070 0.172 0.000 3.457 64 H HA 0.436 5.279 4.556 0.478 0.000 0.255 64 H C -1.534 173.911 175.328 0.195 0.000 1.082 64 H CA -1.257 54.967 56.048 0.294 0.000 1.189 64 H CB 2.176 32.105 29.762 0.279 0.000 1.511 64 H HN -0.075 8.294 8.280 -0.252 -0.240 0.527 65 A N -2.613 120.161 122.820 -0.078 0.000 2.506 65 A HA 0.316 4.647 4.320 0.018 0.000 0.305 65 A C -3.039 174.555 177.584 0.016 0.000 1.166 65 A CA -0.777 51.231 52.037 -0.048 0.000 0.638 65 A CB 2.197 21.107 19.000 -0.149 0.000 1.336 65 A HN -0.421 7.844 8.150 -0.270 -0.276 0.493 66 F N -4.577 115.412 119.950 0.065 0.000 2.458 66 F HA 1.099 5.773 4.527 -0.107 -0.211 0.336 66 F C -1.733 174.038 175.800 -0.049 0.000 1.114 66 F CA -2.764 55.202 58.000 -0.057 0.000 0.987 66 F CB 2.315 41.237 39.000 -0.129 0.000 1.130 66 F HN 0.148 8.301 8.300 -0.245 0.000 0.458 67 N N 1.599 120.300 118.700 0.002 0.000 2.400 67 N HA 0.500 5.367 4.740 -0.093 -0.183 0.288 67 N C -0.730 174.678 175.510 -0.170 0.000 1.024 67 N CA -1.401 51.597 53.050 -0.086 0.000 0.894 67 N CB 2.709 41.143 38.487 -0.088 0.000 1.173 67 N HN 0.151 8.534 8.380 0.004 0.000 0.487 68 V N 5.070 124.737 119.914 -0.411 0.000 2.368 68 V HA 0.090 4.116 4.120 -0.412 -0.153 0.266 68 V C -1.061 174.816 176.094 -0.361 0.000 1.045 68 V CA -0.113 61.853 62.300 -0.557 0.000 0.899 68 V CB 0.048 31.222 31.823 -1.082 0.000 1.006 68 V HN 0.384 8.239 8.190 -0.559 0.000 0.470 69 E N 7.005 127.055 120.200 -0.251 0.000 2.216 69 E HA 0.471 4.967 4.350 0.015 -0.137 0.279 69 E C -0.823 175.658 176.600 -0.199 0.000 0.997 69 E CA -1.344 54.993 56.400 -0.105 0.000 0.817 69 E CB 2.214 31.864 29.700 -0.083 0.000 1.096 69 E HN 0.342 8.555 8.360 -0.245 0.000 0.393 70 F N 2.668 122.608 119.950 -0.017 0.000 2.507 70 F HA 0.341 4.997 4.527 0.034 -0.108 0.327 70 F C 0.137 175.963 175.800 0.043 0.000 1.068 70 F CA -0.815 57.199 58.000 0.023 0.000 0.965 70 F CB 2.874 41.886 39.000 0.020 0.000 1.192 70 F HN 0.516 9.021 8.300 0.342 0.000 0.476 71 D N 2.032 122.557 120.400 0.209 0.000 2.342 71 D HA -0.134 4.590 4.640 0.141 0.000 0.260 71 D C 0.019 176.445 176.300 0.209 0.000 1.278 71 D CA -0.113 53.987 54.000 0.166 0.000 0.910 71 D CB 0.405 41.274 40.800 0.114 0.000 1.079 71 D HN 0.069 8.547 8.370 0.180 0.000 0.496 72 D N 5.337 125.879 120.400 0.236 0.000 2.615 72 D HA 0.056 4.823 4.640 0.213 0.000 0.236 72 D C 0.118 176.600 176.300 0.303 0.000 1.233 72 D CA -1.348 52.823 54.000 0.285 0.000 0.829 72 D CB -0.963 40.122 40.800 0.475 0.000 1.024 72 D HN -0.066 8.442 8.370 0.231 0.000 0.490 73 S N 0.401 116.224 115.700 0.204 0.000 2.548 73 S HA -0.061 4.540 4.470 0.217 0.000 0.215 73 S C -0.031 174.653 174.600 0.140 0.000 0.976 73 S CA 0.569 58.874 58.200 0.176 0.000 0.908 73 S CB 0.578 63.851 63.200 0.121 0.000 0.781 73 S HN -0.369 8.248 8.310 0.170 -0.206 0.519 74 Q N -0.462 119.408 119.800 0.117 0.000 2.528 74 Q HA 0.122 4.507 4.340 0.075 0.000 0.289 74 Q C -1.908 174.122 176.000 0.049 0.000 1.091 74 Q CA -0.887 54.962 55.803 0.077 0.000 0.797 74 Q CB 3.619 32.394 28.738 0.062 0.000 1.466 74 Q HN -0.700 7.601 8.270 0.122 0.042 0.436 75 D N 0.284 120.697 120.400 0.022 0.000 2.435 75 D HA -0.042 4.575 4.640 -0.039 0.000 0.230 75 D C -0.937 175.368 176.300 0.007 0.000 1.215 75 D CA 0.392 54.385 54.000 -0.011 0.000 0.947 75 D CB -0.653 40.134 40.800 -0.022 0.000 1.048 75 D HN 0.020 8.405 8.370 0.025 0.000 0.512 76 K N 3.485 123.895 120.400 0.017 0.000 2.548 76 K HA 0.112 4.456 4.320 0.039 0.000 0.209 76 K C -1.978 174.659 176.600 0.061 0.000 1.420 76 K CA -0.025 56.287 56.287 0.042 0.000 0.985 76 K CB 2.330 34.867 32.500 0.061 0.000 1.249 76 K HN -0.251 8.003 8.250 0.007 0.000 0.557 77 A N -0.322 122.530 122.820 0.054 0.000 2.702 77 A HA 0.771 5.429 4.320 0.218 -0.208 0.305 77 A C -2.398 175.289 177.584 0.172 0.000 1.213 77 A CA -1.195 50.917 52.037 0.125 0.000 0.745 77 A CB 1.121 20.077 19.000 -0.073 0.000 1.161 77 A HN -0.203 7.962 8.150 0.025 0.000 0.445 78 V N -0.966 119.042 119.914 0.157 0.000 2.769 78 V HA 1.116 5.458 4.120 0.093 -0.166 0.312 78 V C -2.605 173.480 176.094 -0.014 0.000 1.061 78 V CA -3.569 58.771 62.300 0.067 0.000 0.931 78 V CB 3.536 35.348 31.823 -0.019 0.000 1.010 78 V HN -0.016 8.259 8.190 0.141 0.000 0.433 79 L N 4.549 125.711 121.223 -0.101 0.000 2.313 79 L HA 1.041 5.397 4.340 -0.301 -0.197 0.283 79 L C -2.161 174.598 176.870 -0.184 0.000 1.013 79 L CA -1.687 52.976 54.840 -0.295 0.000 0.816 79 L CB 2.903 44.537 42.059 -0.708 0.000 1.236 79 L HN 0.505 8.703 8.230 -0.054 0.000 0.419 80 K N 3.046 123.338 120.400 -0.180 0.000 2.428 80 K HA 0.513 4.786 4.320 -0.078 0.000 0.279 80 K C -0.935 175.583 176.600 -0.137 0.000 1.041 80 K CA -1.952 54.269 56.287 -0.110 0.000 0.887 80 K CB 3.258 35.724 32.500 -0.057 0.000 1.535 80 K HN 0.262 8.388 8.250 -0.206 0.000 0.417 81 G N -1.041 107.706 108.800 -0.088 0.000 2.598 81 G HA2 -0.511 3.421 3.960 -0.046 0.000 0.244 81 G HA3 -0.511 3.405 3.960 -0.073 0.000 0.244 81 G C 0.031 174.869 174.900 -0.104 0.000 1.302 81 G CA -0.330 44.725 45.100 -0.075 0.000 0.903 81 G HN 0.400 8.654 8.290 -0.059 0.000 0.575 82 G N -0.436 108.330 108.800 -0.057 0.000 2.611 82 G HA2 -0.372 3.964 3.960 0.160 0.000 0.301 82 G HA3 -0.372 3.450 3.960 -0.229 0.000 0.301 82 G C -1.628 173.278 174.900 0.011 0.000 1.233 82 G CA 0.698 45.781 45.100 -0.027 0.000 0.993 82 G HN -0.416 7.864 8.290 -0.017 0.000 0.553 83 P HA 0.052 4.497 4.420 0.041 0.000 0.249 83 P C -1.133 176.140 177.300 -0.044 0.000 1.229 83 P CA 0.315 63.413 63.100 -0.004 0.000 0.788 83 P CB 0.212 31.918 31.700 0.009 0.000 1.072 84 L N -0.238 120.928 121.223 -0.095 0.000 2.350 84 L HA -0.028 4.282 4.340 -0.050 0.000 0.275 84 L C -0.701 176.185 176.870 0.027 0.000 1.099 84 L CA -0.432 54.370 54.840 -0.063 0.000 0.808 84 L CB 0.323 42.277 42.059 -0.176 0.000 1.149 84 L HN -0.552 7.537 8.230 -0.125 0.066 0.442 85 D N 2.432 122.887 120.400 0.092 0.000 2.233 85 D HA 0.148 4.809 4.640 0.036 0.000 0.240 85 D C 0.137 176.488 176.300 0.086 0.000 1.074 85 D CA 0.176 54.216 54.000 0.065 0.000 0.838 85 D CB 0.954 41.780 40.800 0.044 0.000 1.124 85 D HN 0.187 8.634 8.370 0.129 0.000 0.475 86 G N 2.737 111.552 108.800 0.025 0.000 2.584 86 G HA2 -0.313 3.620 3.960 -0.046 0.000 0.229 86 G HA3 -0.313 3.599 3.960 -0.080 0.000 0.229 86 G C -1.852 173.057 174.900 0.014 0.000 1.320 86 G CA -0.337 44.747 45.100 -0.027 0.000 0.891 86 G HN 0.212 8.508 8.290 0.010 0.000 0.573 87 T N -1.406 113.097 114.554 -0.084 0.000 2.861 87 T HA 0.530 4.908 4.350 0.046 0.000 0.287 87 T C -1.580 173.020 174.700 -0.166 0.000 1.003 87 T CA -1.593 60.476 62.100 -0.052 0.000 0.977 87 T CB 2.575 71.383 68.868 -0.101 0.000 0.996 87 T HN 0.018 8.150 8.240 -0.181 0.000 0.448 88 Y N 2.692 122.878 120.300 -0.191 0.000 2.376 88 Y HA 0.509 5.102 4.550 -0.239 -0.187 0.340 88 Y C -1.642 174.119 175.900 -0.232 0.000 0.965 88 Y CA -1.486 56.490 58.100 -0.207 0.000 1.078 88 Y CB 3.585 41.962 38.460 -0.139 0.000 1.193 88 Y HN 0.534 8.913 8.280 0.166 0.000 0.452 89 R N 2.729 123.010 120.500 -0.365 0.000 2.393 89 R HA 0.476 4.852 4.340 -0.171 -0.138 0.310 89 R C -1.352 174.808 176.300 -0.233 0.000 0.968 89 R CA -1.996 53.865 56.100 -0.399 0.000 0.867 89 R CB 3.295 33.090 30.300 -0.841 0.000 1.124 89 R HN 0.563 8.437 8.270 -0.659 0.000 0.450 90 L N 5.324 126.506 121.223 -0.069 0.000 2.462 90 L HA -0.130 4.050 4.340 -0.513 -0.148 0.272 90 L C -2.080 174.716 176.870 -0.122 0.000 1.166 90 L CA 1.316 55.980 54.840 -0.292 0.000 0.880 90 L CB 0.330 42.083 42.059 -0.510 0.000 1.142 90 L HN 0.301 8.531 8.230 0.000 0.000 0.473 91 I N 3.277 123.841 120.570 -0.011 0.000 3.718 91 I HA 0.179 4.494 4.170 0.243 0.000 0.297 91 I C -2.004 174.212 176.117 0.166 0.000 1.220 91 I CA -0.578 60.827 61.300 0.175 0.000 1.381 91 I CB 2.233 40.407 38.000 0.291 0.000 1.238 91 I HN 0.499 8.664 8.210 -0.075 0.000 0.448 92 Q N -4.605 115.248 119.800 0.090 0.000 2.633 92 Q HA 0.765 5.478 4.340 0.343 -0.167 0.289 92 Q C -2.069 174.024 176.000 0.154 0.000 0.940 92 Q CA -1.503 54.397 55.803 0.162 0.000 0.785 92 Q CB 3.076 31.845 28.738 0.052 0.000 1.467 92 Q HN -0.713 7.558 8.270 0.003 0.000 0.401 93 F N -4.830 115.206 119.950 0.143 0.000 2.603 93 F HA 1.122 5.766 4.527 -0.078 -0.164 0.317 93 F C -1.936 173.835 175.800 -0.049 0.000 1.066 93 F CA -2.374 55.608 58.000 -0.030 0.000 0.941 93 F CB 3.830 42.765 39.000 -0.108 0.000 1.291 93 F HN 0.127 8.335 8.300 -0.154 0.000 0.472 94 H N -4.857 114.253 119.070 0.066 0.000 2.948 94 H HA 0.579 5.070 4.556 -0.272 -0.098 0.315 94 H C -2.688 172.420 175.328 -0.367 0.000 1.360 94 H CA -1.383 54.548 56.048 -0.196 0.000 1.125 94 H CB 3.061 32.718 29.762 -0.175 0.000 1.844 94 H HN 0.126 8.166 8.280 -0.399 0.000 0.529 95 F N -3.958 115.880 119.950 -0.187 0.000 2.611 95 F HA 0.832 5.526 4.527 -0.031 -0.186 0.324 95 F C -0.533 175.240 175.800 -0.046 0.000 1.061 95 F CA -1.794 56.193 58.000 -0.021 0.000 0.954 95 F CB 4.151 43.223 39.000 0.120 0.000 1.301 95 F HN 0.246 8.543 8.300 -0.006 0.000 0.482 96 H N -2.555 116.817 119.070 0.504 0.000 2.538 96 H HA 0.396 5.152 4.556 0.097 -0.142 0.353 96 H C -1.673 173.979 175.328 0.541 0.000 1.109 96 H CA -1.010 55.237 56.048 0.332 0.000 1.192 96 H CB 2.641 32.560 29.762 0.262 0.000 1.555 96 H HN 0.186 8.808 8.280 0.570 0.000 0.518 97 W N -0.869 120.672 121.300 0.401 0.000 3.025 97 W HA 0.544 5.505 4.660 0.292 -0.126 0.343 97 W C -2.837 173.895 176.519 0.355 0.000 1.246 97 W CA -1.490 56.059 57.345 0.340 0.000 1.178 97 W CB 1.889 31.576 29.460 0.379 0.000 1.463 97 W HN 0.769 9.193 8.180 -0.134 -0.325 0.578 98 G N -3.252 105.838 108.800 0.483 0.000 2.601 98 G HA2 0.348 4.757 3.960 0.468 0.000 0.317 98 G HA3 0.348 4.672 3.960 0.310 -0.178 0.317 98 G C -0.386 174.746 174.900 0.386 0.000 1.246 98 G CA -1.980 43.357 45.100 0.395 0.000 1.012 98 G HN -0.395 8.199 8.290 0.506 0.000 0.494 99 S N -0.824 115.059 115.700 0.304 0.000 2.527 99 S HA -0.104 4.516 4.470 0.249 0.000 0.222 99 S C -0.150 174.559 174.600 0.183 0.000 0.985 99 S CA 1.643 59.984 58.200 0.235 0.000 0.921 99 S CB 0.543 63.859 63.200 0.194 0.000 0.772 99 S HN -0.104 8.735 8.310 0.318 -0.338 0.529 100 L N -1.957 119.368 121.223 0.171 0.000 2.415 100 L HA 0.265 4.665 4.340 0.100 0.000 0.256 100 L C -0.468 176.461 176.870 0.098 0.000 1.010 100 L CA -1.037 53.871 54.840 0.114 0.000 0.826 100 L CB 3.820 45.934 42.059 0.093 0.000 1.405 100 L HN -0.948 7.355 8.230 0.194 0.043 0.410 101 D N 0.854 121.291 120.400 0.062 0.000 2.263 101 D HA -0.174 4.502 4.640 0.061 0.000 0.208 101 D C 1.835 178.146 176.300 0.018 0.000 0.971 101 D CA 3.132 57.158 54.000 0.044 0.000 0.867 101 D CB -0.067 40.747 40.800 0.023 0.000 0.929 101 D HN 0.395 8.796 8.370 0.051 0.000 0.492 102 G N -3.988 104.815 108.800 0.006 0.000 2.776 102 G HA2 -0.153 3.772 3.960 -0.058 0.000 0.209 102 G HA3 -0.153 3.792 3.960 -0.026 0.000 0.209 102 G C -1.235 173.621 174.900 -0.073 0.000 1.145 102 G CA 0.156 45.235 45.100 -0.035 0.000 0.791 102 G HN 0.022 8.295 8.290 0.021 0.029 0.530 103 Q N -3.800 115.963 119.800 -0.063 0.000 2.590 103 Q HA 0.189 4.338 4.340 -0.317 0.000 0.295 103 Q C -1.555 174.311 176.000 -0.223 0.000 0.973 103 Q CA -0.844 54.826 55.803 -0.221 0.000 0.768 103 Q CB 2.692 31.343 28.738 -0.146 0.000 1.479 103 Q HN -0.771 7.436 8.270 -0.007 0.059 0.419 104 G N -1.686 106.722 108.800 -0.653 0.000 3.211 104 G HA2 -0.171 3.524 3.960 -0.393 0.000 0.202 104 G HA3 -0.171 4.029 3.960 0.002 -0.239 0.202 104 G C -0.864 173.870 174.900 -0.276 0.000 1.035 104 G CA -0.009 44.864 45.100 -0.378 0.000 0.846 104 G HN 0.380 7.984 8.290 -1.143 0.000 0.464 105 S N 1.513 117.101 115.700 -0.186 0.000 2.603 105 S HA -0.060 4.551 4.470 0.235 0.000 0.268 105 S C -0.063 174.534 174.600 -0.005 0.000 1.317 105 S CA 0.285 58.546 58.200 0.100 0.000 1.012 105 S CB 1.808 65.221 63.200 0.355 0.000 0.926 105 S HN -0.516 7.667 8.310 -0.213 0.000 0.539 106 E N 0.792 121.091 120.200 0.165 0.000 2.065 106 E HA 0.155 4.717 4.350 0.158 -0.118 0.191 106 E C 0.417 177.010 176.600 -0.011 0.000 0.960 106 E CA 1.184 57.636 56.400 0.087 0.000 0.824 106 E CB 1.318 31.017 29.700 -0.002 0.000 0.793 106 E HN -0.245 8.510 8.360 0.248 -0.246 0.459 107 H N -0.965 118.210 119.070 0.175 0.000 2.771 107 H HA -0.049 4.704 4.556 0.063 -0.159 0.364 107 H C -0.169 175.308 175.328 0.249 0.000 1.133 107 H CA 1.936 58.101 56.048 0.194 0.000 1.423 107 H CB 0.808 30.724 29.762 0.258 0.000 1.425 107 H HN -0.562 8.086 8.280 0.255 -0.215 0.606 108 T N -4.758 109.910 114.554 0.191 0.000 2.916 108 T HA 0.601 5.054 4.350 -0.003 -0.105 0.292 108 T C -1.376 173.299 174.700 -0.042 0.000 1.055 108 T CA -2.251 59.861 62.100 0.021 0.000 1.009 108 T CB 3.443 72.277 68.868 -0.057 0.000 1.118 108 T HN -0.431 7.893 8.240 0.139 0.000 0.497 109 V N 1.584 121.417 119.914 -0.135 0.000 2.376 109 V HA 0.276 4.409 4.120 -0.233 -0.153 0.287 109 V C -0.426 175.583 176.094 -0.142 0.000 1.015 109 V CA -1.022 61.176 62.300 -0.170 0.000 0.834 109 V CB 1.953 33.712 31.823 -0.106 0.000 1.001 109 V HN -0.175 7.915 8.190 -0.166 0.000 0.428 110 D N 10.033 130.350 120.400 -0.137 0.000 2.701 110 D HA -0.405 4.192 4.640 -0.073 0.000 0.235 110 D C -0.537 175.713 176.300 -0.083 0.000 1.155 110 D CA 1.507 55.457 54.000 -0.083 0.000 0.649 110 D CB -1.926 38.848 40.800 -0.042 0.000 1.050 110 D HN 0.666 8.934 8.370 -0.170 0.000 0.425 111 K N -11.319 109.024 120.400 -0.095 0.000 3.547 111 K HA -0.618 3.719 4.320 -0.085 -0.067 0.309 111 K C -1.284 175.241 176.600 -0.125 0.000 1.324 111 K CA 1.658 57.891 56.287 -0.091 0.000 0.988 111 K CB -2.391 30.070 32.500 -0.066 0.000 1.261 111 K HN 0.281 8.790 8.250 -0.101 -0.320 0.444 112 K N 1.337 121.637 120.400 -0.167 0.000 2.379 112 K HA -0.101 4.082 4.320 -0.229 0.000 0.284 112 K C -0.819 175.600 176.600 -0.302 0.000 1.044 112 K CA 0.124 56.257 56.287 -0.257 0.000 0.974 112 K CB 0.869 33.162 32.500 -0.344 0.000 0.962 112 K HN -0.467 7.500 8.250 -0.159 0.187 0.474 113 K N 6.089 126.310 120.400 -0.298 0.000 2.201 113 K HA 0.266 4.455 4.320 -0.218 0.000 0.278 113 K C -0.406 175.996 176.600 -0.330 0.000 1.027 113 K CA -0.799 55.321 56.287 -0.278 0.000 0.909 113 K CB 1.115 33.440 32.500 -0.293 0.000 1.062 113 K HN 0.222 8.311 8.250 -0.267 0.000 0.465 114 Y N 1.196 121.385 120.300 -0.185 0.000 2.334 114 Y HA -0.080 4.416 4.550 -0.091 0.000 0.325 114 Y C 1.149 177.034 175.900 -0.026 0.000 1.308 114 Y CA 0.314 58.363 58.100 -0.085 0.000 1.389 114 Y CB 1.264 39.714 38.460 -0.017 0.000 1.328 114 Y HN -0.200 8.135 8.280 0.092 0.000 0.532 115 A N -0.833 122.110 122.820 0.204 0.000 2.015 115 A HA -0.116 4.510 4.320 0.099 -0.246 0.219 115 A C -0.886 176.843 177.584 0.242 0.000 1.163 115 A CA 2.036 54.167 52.037 0.158 0.000 0.646 115 A CB 0.455 19.532 19.000 0.127 0.000 0.806 115 A HN 0.292 8.591 8.150 0.249 0.000 0.448 116 A N -6.193 116.822 122.820 0.324 0.000 2.564 116 A HA 0.463 5.159 4.320 0.438 -0.114 0.291 116 A C -2.777 175.075 177.584 0.446 0.000 1.102 116 A CA -0.347 51.948 52.037 0.431 0.000 0.660 116 A CB 3.162 22.467 19.000 0.508 0.000 1.283 116 A HN -0.770 7.570 8.150 0.350 0.021 0.430 117 E N -1.162 119.317 120.200 0.465 0.000 2.291 117 E HA 0.667 5.356 4.350 0.285 -0.168 0.276 117 E C -2.339 174.367 176.600 0.176 0.000 0.896 117 E CA -1.184 55.400 56.400 0.307 0.000 0.774 117 E CB 4.758 34.618 29.700 0.267 0.000 1.227 117 E HN 0.097 8.782 8.360 0.540 0.000 0.413 118 L N 6.803 128.049 121.223 0.040 0.000 2.289 118 L HA 0.507 4.622 4.340 -0.625 -0.150 0.285 118 L C -1.996 174.785 176.870 -0.149 0.000 1.049 118 L CA -1.094 53.558 54.840 -0.314 0.000 0.804 118 L CB 2.315 44.184 42.059 -0.316 0.000 1.195 118 L HN 0.553 8.833 8.230 0.083 0.000 0.428 119 H N 6.903 125.799 119.070 -0.289 0.000 2.587 119 H HA 0.380 5.100 4.556 0.001 -0.164 0.325 119 H C -0.974 174.228 175.328 -0.209 0.000 1.012 119 H CA -2.297 53.647 56.048 -0.173 0.000 1.213 119 H CB 2.210 31.873 29.762 -0.165 0.000 1.431 119 H HN 0.730 8.702 8.280 -0.514 0.000 0.492 120 L N 5.265 126.521 121.223 0.055 0.000 2.255 120 L HA 0.174 4.528 4.340 0.022 0.000 0.289 120 L C -1.331 175.505 176.870 -0.056 0.000 1.046 120 L CA -0.214 54.634 54.840 0.014 0.000 0.816 120 L CB 0.696 42.812 42.059 0.095 0.000 1.197 120 L HN 0.498 8.786 8.230 0.097 0.000 0.427 121 V N 5.095 124.936 119.914 -0.123 0.000 2.383 121 V HA 0.099 4.246 4.120 0.045 0.000 0.275 121 V C -1.366 174.631 176.094 -0.162 0.000 1.036 121 V CA -0.326 61.964 62.300 -0.017 0.000 0.889 121 V CB 0.697 32.614 31.823 0.157 0.000 0.985 121 V HN 0.604 8.742 8.190 -0.086 0.000 0.459 122 H N 6.534 125.688 119.070 0.141 0.000 2.690 122 H HA 0.803 5.641 4.556 0.125 -0.208 0.368 122 H C -0.520 175.016 175.328 0.347 0.000 1.150 122 H CA -1.820 54.323 56.048 0.158 0.000 1.174 122 H CB 3.378 33.182 29.762 0.069 0.000 1.684 122 H HN 0.248 8.708 8.280 0.301 0.000 0.538 123 W N -0.686 120.842 121.300 0.380 0.000 2.689 123 W HA 0.603 5.599 4.660 0.310 -0.150 0.340 123 W C -1.705 174.853 176.519 0.065 0.000 1.060 123 W CA -2.930 54.584 57.345 0.280 0.000 1.218 123 W CB 2.339 31.954 29.460 0.260 0.000 1.410 123 W HN 0.509 8.664 8.180 -0.041 0.000 0.528 124 N N 4.423 123.154 118.700 0.053 0.000 2.431 124 N HA 0.181 4.324 4.740 -1.239 -0.146 0.265 124 N C 0.776 176.203 175.510 -0.138 0.000 1.184 124 N CA -0.291 52.406 53.050 -0.590 0.000 0.943 124 N CB 1.052 39.206 38.487 -0.555 0.000 1.080 124 N HN 0.166 8.700 8.380 0.257 0.000 0.477 128 Y N 1.044 121.390 120.300 0.076 0.000 2.467 128 Y HA 0.091 4.652 4.550 0.018 0.000 0.250 128 Y C 0.309 176.237 175.900 0.047 0.000 1.155 128 Y CA -1.148 56.981 58.100 0.048 0.000 1.249 128 Y CB 0.477 38.947 38.460 0.017 0.000 1.146 128 Y HN -0.332 7.869 8.280 -0.048 0.051 0.524 129 G N 0.316 109.272 108.800 0.260 0.000 2.550 129 G HA2 -0.462 3.638 3.960 0.233 0.000 0.233 129 G HA3 -0.462 3.552 3.960 0.089 0.000 0.233 129 G C -1.068 173.762 174.900 -0.117 0.000 1.170 129 G CA 0.657 45.854 45.100 0.161 0.000 0.693 129 G HN -0.223 8.162 8.290 0.339 0.108 0.512 130 D N -2.874 117.259 120.400 -0.446 0.000 2.665 130 D HA 0.179 3.515 4.640 -2.173 0.000 0.287 130 D C -0.885 174.854 176.300 -0.935 0.000 1.266 130 D CA -2.403 50.937 54.000 -1.100 0.000 0.830 130 D CB 1.741 42.225 40.800 -0.526 0.000 1.356 130 D HN -0.684 7.474 8.370 -0.245 0.065 0.437 131 F N -0.054 119.187 119.950 -1.181 0.000 2.134 131 F HA -0.294 3.910 4.527 -0.539 0.000 0.299 131 F C 1.213 176.845 175.800 -0.279 0.000 1.097 131 F CA 3.593 61.210 58.000 -0.638 0.000 1.264 131 F CB 0.571 39.299 39.000 -0.452 0.000 1.001 131 F HN 0.512 8.236 8.300 -0.961 0.000 0.479 132 G N -2.992 105.720 108.800 -0.146 0.000 2.422 132 G HA2 -0.321 3.561 3.960 -0.130 0.000 0.218 132 G HA3 -0.321 3.603 3.960 -0.059 0.000 0.218 132 G C 0.903 175.674 174.900 -0.215 0.000 1.146 132 G CA 1.742 46.759 45.100 -0.139 0.000 0.769 132 G HN 0.114 8.349 8.290 -0.092 0.000 0.547 133 K N -0.124 120.154 120.400 -0.202 0.000 2.116 133 K HA -0.044 4.175 4.320 -0.168 0.000 0.203 133 K C 2.372 178.817 176.600 -0.258 0.000 1.052 133 K CA 1.437 57.616 56.287 -0.180 0.000 0.952 133 K CB -0.129 32.313 32.500 -0.097 0.000 0.729 133 K HN -0.632 7.760 8.250 -0.201 -0.263 0.446 134 A N 0.118 122.798 122.820 -0.233 0.000 1.933 134 A HA -0.261 3.915 4.320 -0.239 0.000 0.218 134 A C 1.981 179.378 177.584 -0.313 0.000 1.175 134 A CA 3.067 54.990 52.037 -0.191 0.000 0.628 134 A CB -0.568 18.468 19.000 0.061 0.000 0.814 134 A HN -0.334 7.598 8.150 -0.233 0.078 0.444 135 V N -7.670 111.985 119.914 -0.432 0.000 3.078 135 V HA -0.295 3.637 4.120 -0.314 0.000 0.265 135 V C 0.796 176.741 176.094 -0.248 0.000 1.122 135 V CA 1.869 63.945 62.300 -0.373 0.000 1.141 135 V CB -0.414 31.129 31.823 -0.467 0.000 0.735 135 V HN -0.724 7.140 8.190 -0.543 0.000 0.498 136 Q N -2.260 117.384 119.800 -0.259 0.000 2.403 136 Q HA -0.018 4.227 4.340 -0.158 0.000 0.203 136 Q C 0.158 176.016 176.000 -0.236 0.000 0.932 136 Q CA 0.289 55.968 55.803 -0.206 0.000 0.945 136 Q CB 0.208 28.836 28.738 -0.183 0.000 1.045 136 Q HN -0.643 7.406 8.270 -0.292 0.045 0.511 137 Q N -1.294 118.320 119.800 -0.310 0.000 2.345 137 Q HA 0.446 4.627 4.340 -0.266 0.000 0.268 137 Q C -1.533 174.381 176.000 -0.143 0.000 1.054 137 Q CA -3.577 52.031 55.803 -0.326 0.000 0.835 137 Q CB -0.497 27.781 28.738 -0.767 0.000 1.339 137 Q HN -0.471 7.446 8.270 -0.317 0.163 0.447 138 P HA -0.033 4.546 4.420 -0.007 -0.164 0.221 138 P C -1.657 175.671 177.300 0.047 0.000 1.150 138 P CA 1.392 64.493 63.100 0.001 0.000 0.800 138 P CB 0.635 32.347 31.700 0.020 0.000 0.787 139 D N -7.794 112.668 120.400 0.104 0.000 2.772 139 D HA 0.061 4.796 4.640 0.158 0.000 0.272 139 D C 0.554 177.044 176.300 0.317 0.000 1.314 139 D CA -2.057 52.063 54.000 0.199 0.000 0.835 139 D CB -1.330 39.603 40.800 0.223 0.000 1.080 139 D HN -0.423 7.990 8.370 0.105 0.021 0.482 140 G N -0.407 108.507 108.800 0.190 0.000 2.408 140 G HA2 -0.028 4.158 3.960 0.377 0.000 0.215 140 G HA3 -0.028 4.140 3.960 0.028 -0.191 0.215 140 G C -1.372 173.713 174.900 0.309 0.000 1.156 140 G CA 1.209 46.434 45.100 0.209 0.000 0.793 140 G HN -0.427 7.856 8.290 0.082 0.057 0.535 141 L N -2.116 119.257 121.223 0.250 0.000 2.341 141 L HA 0.864 5.622 4.340 0.422 -0.165 0.267 141 L C -2.508 174.414 176.870 0.086 0.000 1.009 141 L CA -1.713 53.281 54.840 0.256 0.000 0.819 141 L CB 4.180 46.288 42.059 0.081 0.000 1.323 141 L HN -0.229 8.093 8.230 0.153 0.000 0.425 142 A N 0.606 123.404 122.820 -0.036 0.000 2.335 142 A HA 0.857 5.099 4.320 -0.469 -0.203 0.304 142 A C -1.835 175.604 177.584 -0.241 0.000 1.118 142 A CA -1.685 50.108 52.037 -0.407 0.000 0.757 142 A CB 2.822 21.293 19.000 -0.880 0.000 1.188 142 A HN 0.517 8.776 8.150 0.181 0.000 0.460 143 V N 4.883 124.498 119.914 -0.498 0.000 2.384 143 V HA 0.600 4.824 4.120 -0.157 -0.198 0.287 143 V C -1.619 174.285 176.094 -0.317 0.000 1.020 143 V CA -1.601 60.408 62.300 -0.484 0.000 0.850 143 V CB 2.534 33.684 31.823 -1.121 0.000 0.987 143 V HN -0.081 7.691 8.190 -0.695 0.000 0.436 144 L N 8.940 130.133 121.223 -0.049 0.000 2.260 144 L HA 0.687 5.202 4.340 -0.043 -0.201 0.289 144 L C -1.342 175.598 176.870 0.116 0.000 1.057 144 L CA -1.674 53.172 54.840 0.009 0.000 0.811 144 L CB 1.697 43.782 42.059 0.044 0.000 1.184 144 L HN 0.158 8.437 8.230 0.082 0.000 0.429 145 G N 6.806 115.705 108.800 0.166 0.000 2.372 145 G HA2 0.735 5.149 3.960 0.375 0.000 0.323 145 G HA3 0.735 4.860 3.960 0.275 0.000 0.323 145 G C -2.514 172.349 174.900 -0.061 0.000 1.152 145 G CA -1.365 43.866 45.100 0.217 0.000 0.906 145 G HN 0.746 9.118 8.290 0.138 0.000 0.460 146 I N 3.276 123.785 120.570 -0.101 0.000 2.499 146 I HA 0.288 4.328 4.170 -0.215 0.000 0.288 146 I C -1.614 174.403 176.117 -0.167 0.000 1.048 146 I CA -1.007 60.199 61.300 -0.157 0.000 1.062 146 I CB 3.595 41.576 38.000 -0.031 0.000 1.238 146 I HN 0.289 8.488 8.210 -0.018 0.000 0.426 147 F N 5.889 125.808 119.950 -0.052 0.000 2.418 147 F HA 0.147 4.751 4.527 -0.072 -0.120 0.341 147 F C -0.506 175.236 175.800 -0.095 0.000 1.120 147 F CA 0.051 57.930 58.000 -0.202 0.000 1.232 147 F CB 0.852 39.341 39.000 -0.851 0.000 1.175 147 F HN 0.658 8.810 8.300 -0.247 0.000 0.569 148 L N 1.144 122.516 121.223 0.249 0.000 2.333 148 L HA 0.726 5.375 4.340 0.182 -0.200 0.280 148 L C -1.038 175.994 176.870 0.271 0.000 1.004 148 L CA -1.095 53.881 54.840 0.227 0.000 0.820 148 L CB 2.483 44.691 42.059 0.250 0.000 1.247 148 L HN 0.201 8.627 8.230 0.327 0.000 0.416 149 K N 1.914 122.451 120.400 0.228 0.000 2.281 149 K HA 0.433 4.896 4.320 0.239 0.000 0.242 149 K C -2.050 174.612 176.600 0.104 0.000 0.971 149 K CA -2.316 54.102 56.287 0.217 0.000 0.834 149 K CB 2.885 35.536 32.500 0.251 0.000 1.181 149 K HN 0.335 8.694 8.250 0.182 0.000 0.435 150 V N 2.699 122.653 119.914 0.066 0.000 2.406 150 V HA 0.597 4.951 4.120 0.003 -0.232 0.272 150 V C 0.162 176.267 176.094 0.019 0.000 1.043 150 V CA 0.359 62.671 62.300 0.020 0.000 0.915 150 V CB 0.373 32.198 31.823 0.002 0.000 0.988 150 V HN 0.320 8.552 8.190 0.071 0.000 0.466 151 G N 7.811 116.616 108.800 0.009 0.000 3.074 151 G HA2 0.280 4.243 3.960 0.005 0.000 0.127 151 G HA3 0.280 4.251 3.960 0.017 0.000 0.127 151 G C -1.795 173.105 174.900 0.001 0.000 1.216 151 G CA 0.984 46.089 45.100 0.009 0.000 1.390 151 G HN 0.795 9.085 8.290 0.000 0.000 0.676 152 S N 1.957 117.661 115.700 0.007 0.000 2.585 152 S HA 0.075 4.544 4.470 -0.001 0.000 0.273 152 S C 0.078 174.678 174.600 -0.000 0.000 1.339 152 S CA -0.970 57.232 58.200 0.003 0.000 1.028 152 S CB 1.059 64.264 63.200 0.009 0.000 0.906 152 S HN -0.352 7.965 8.310 0.013 0.000 0.528 153 A N 0.422 123.240 122.820 -0.004 0.000 2.425 153 A HA -0.191 4.333 4.320 -0.021 -0.216 0.242 153 A C 0.027 177.618 177.584 0.011 0.000 1.077 153 A CA 0.307 52.339 52.037 -0.008 0.000 0.781 153 A CB 0.523 19.518 19.000 -0.008 0.000 1.020 153 A HN 0.045 8.193 8.150 -0.004 0.000 0.494 154 K N 3.258 123.670 120.400 0.019 0.000 2.266 154 K HA 0.429 4.776 4.320 0.046 0.000 0.274 154 K C -0.239 176.399 176.600 0.063 0.000 1.090 154 K CA -3.585 52.731 56.287 0.048 0.000 0.925 154 K CB 0.055 32.598 32.500 0.073 0.000 1.225 154 K HN -0.145 8.389 8.250 0.006 -0.280 0.458 155 P HA -0.144 4.308 4.420 0.054 0.000 0.218 155 P C 1.064 178.422 177.300 0.096 0.000 1.148 155 P CA 1.990 65.126 63.100 0.059 0.000 0.822 155 P CB 0.234 31.958 31.700 0.040 0.000 0.784 156 G N -2.834 106.030 108.800 0.106 0.000 2.559 156 G HA2 -0.134 3.890 3.960 0.106 0.000 0.216 156 G HA3 -0.134 4.048 3.960 0.108 -0.157 0.216 156 G C 0.403 175.495 174.900 0.320 0.000 1.126 156 G CA 0.967 46.152 45.100 0.142 0.000 0.778 156 G HN 0.275 8.605 8.290 0.089 0.014 0.543 157 L N -0.731 120.661 121.223 0.282 0.000 2.446 157 L HA 0.201 4.828 4.340 0.479 0.000 0.219 157 L C 0.899 177.932 176.870 0.272 0.000 1.116 157 L CA 0.631 55.672 54.840 0.335 0.000 0.844 157 L CB 0.258 42.443 42.059 0.211 0.000 0.970 157 L HN -0.537 7.661 8.230 0.200 0.152 0.457 158 Q N -0.373 119.549 119.800 0.203 0.000 2.124 158 Q HA -0.353 4.043 4.340 0.093 0.000 0.202 158 Q C 1.796 177.900 176.000 0.174 0.000 0.977 158 Q CA 3.270 59.155 55.803 0.137 0.000 0.850 158 Q CB -0.706 28.087 28.738 0.091 0.000 0.901 158 Q HN -0.484 7.899 8.270 0.188 0.000 0.429 159 K N -2.219 118.350 120.400 0.282 0.000 2.147 159 K HA -0.316 4.145 4.320 0.234 0.000 0.205 159 K C 2.203 179.013 176.600 0.351 0.000 1.049 159 K CA 2.987 59.470 56.287 0.326 0.000 0.936 159 K CB -0.556 32.195 32.500 0.419 0.000 0.722 159 K HN 0.106 8.557 8.250 0.335 0.000 0.446 160 V N -0.207 119.877 119.914 0.284 0.000 2.270 160 V HA -0.437 3.590 4.120 -0.156 0.000 0.245 160 V C 2.124 178.134 176.094 -0.139 0.000 1.043 160 V CA 3.663 65.958 62.300 -0.009 0.000 1.014 160 V CB -0.042 31.803 31.823 0.038 0.000 0.645 160 V HN -0.667 7.729 8.190 0.344 0.000 0.447 161 V N 0.518 120.421 119.914 -0.017 0.000 2.324 161 V HA -0.553 3.513 4.120 -0.090 0.000 0.250 161 V C 2.206 178.248 176.094 -0.087 0.000 1.060 161 V CA 4.375 66.641 62.300 -0.056 0.000 1.042 161 V CB -0.365 31.449 31.823 -0.015 0.000 0.650 161 V HN -0.622 7.609 8.190 0.067 0.000 0.450 162 D N -2.383 118.001 120.400 -0.026 0.000 2.312 162 D HA -0.088 4.532 4.640 -0.034 0.000 0.211 162 D C 1.501 177.774 176.300 -0.044 0.000 0.964 162 D CA 2.539 56.527 54.000 -0.019 0.000 0.877 162 D CB -0.058 40.759 40.800 0.028 0.000 0.924 162 D HN -0.296 8.074 8.370 0.020 0.012 0.515 163 V N -7.852 112.009 119.914 -0.088 0.000 3.608 163 V HA 0.190 4.267 4.120 -0.071 0.000 0.269 163 V C 1.113 177.067 176.094 -0.233 0.000 1.245 163 V CA 0.783 63.005 62.300 -0.130 0.000 1.138 163 V CB 0.333 32.073 31.823 -0.138 0.000 0.841 163 V HN -0.795 7.306 8.190 -0.105 0.026 0.451 164 L N 0.459 121.507 121.223 -0.292 0.000 2.131 164 L HA -0.331 3.747 4.340 -0.437 0.000 0.210 164 L C 1.616 178.364 176.870 -0.204 0.000 1.092 164 L CA 2.526 57.159 54.840 -0.345 0.000 0.759 164 L CB -0.783 41.035 42.059 -0.402 0.000 0.903 164 L HN -0.840 7.184 8.230 -0.271 0.043 0.435 165 D N -3.940 116.376 120.400 -0.139 0.000 2.310 165 D HA -0.258 4.330 4.640 -0.086 0.000 0.212 165 D C 1.287 177.538 176.300 -0.082 0.000 0.965 165 D CA 2.153 56.098 54.000 -0.091 0.000 0.879 165 D CB -0.686 40.075 40.800 -0.064 0.000 0.921 165 D HN 0.444 8.720 8.370 -0.131 0.015 0.510 166 S N -0.821 114.821 115.700 -0.097 0.000 2.558 166 S HA -0.043 4.391 4.470 -0.060 0.000 0.217 166 S C 0.707 175.253 174.600 -0.090 0.000 0.975 166 S CA 0.963 59.115 58.200 -0.079 0.000 0.912 166 S CB 0.690 63.849 63.200 -0.069 0.000 0.776 166 S HN -0.304 7.792 8.310 -0.117 0.143 0.526 167 I N -5.722 114.776 120.570 -0.120 0.000 3.176 167 I HA 0.396 4.517 4.170 -0.083 0.000 0.339 167 I C -0.735 175.331 176.117 -0.085 0.000 1.505 167 I CA -1.820 59.415 61.300 -0.109 0.000 0.969 167 I CB -0.045 37.865 38.000 -0.150 0.000 1.636 167 I HN -0.684 7.288 8.210 -0.143 0.152 0.523 168 K N 1.591 121.952 120.400 -0.065 0.000 2.103 168 K HA -0.255 4.032 4.320 -0.055 0.000 0.207 168 K C -0.772 175.818 176.600 -0.016 0.000 1.048 168 K CA 2.731 58.992 56.287 -0.044 0.000 0.930 168 K CB 0.536 33.017 32.500 -0.032 0.000 0.716 168 K HN 0.283 8.496 8.250 -0.062 0.000 0.444 169 T N -8.841 105.707 114.554 -0.011 0.000 2.932 169 T HA 0.324 4.688 4.350 0.022 0.000 0.289 169 T C -1.182 173.523 174.700 0.010 0.000 1.039 169 T CA -2.820 59.285 62.100 0.009 0.000 1.024 169 T CB 3.034 71.908 68.868 0.010 0.000 1.090 169 T HN -0.764 7.443 8.240 -0.020 0.021 0.496 170 K N 2.958 123.376 120.400 0.029 0.000 2.511 170 K HA -0.610 4.007 4.320 0.018 -0.286 0.280 170 K C 1.417 178.015 176.600 -0.002 0.000 1.008 170 K CA 1.605 57.905 56.287 0.021 0.000 1.050 170 K CB 0.063 32.586 32.500 0.037 0.000 0.889 170 K HN -0.127 8.150 8.250 0.045 0.000 0.484 171 G N 7.450 116.241 108.800 -0.016 0.000 2.234 171 G HA2 -0.415 3.529 3.960 -0.026 0.000 0.235 171 G HA3 -0.415 3.533 3.960 -0.020 0.000 0.235 171 G C -0.489 174.394 174.900 -0.028 0.000 0.997 171 G CA -0.054 45.032 45.100 -0.023 0.000 0.623 171 G HN 0.714 8.992 8.290 -0.019 0.000 0.514 172 K N 2.337 122.719 120.400 -0.030 0.000 2.270 172 K HA 0.146 4.445 4.320 -0.035 0.000 0.276 172 K C -1.313 175.255 176.600 -0.052 0.000 1.023 172 K CA 0.334 56.598 56.287 -0.039 0.000 0.955 172 K CB 0.975 33.450 32.500 -0.041 0.000 0.975 172 K HN -0.409 7.764 8.250 -0.026 0.061 0.471 173 S N -0.031 115.637 115.700 -0.054 0.000 2.618 173 S HA 0.919 5.491 4.470 -0.083 -0.152 0.277 173 S C -1.414 173.150 174.600 -0.060 0.000 1.138 173 S CA -1.765 56.396 58.200 -0.065 0.000 0.844 173 S CB 3.487 66.654 63.200 -0.055 0.000 1.127 173 S HN 0.052 8.335 8.310 -0.046 0.000 0.474 174 A N -0.568 122.213 122.820 -0.065 0.000 2.572 174 A HA 0.340 4.645 4.320 -0.026 0.000 0.295 174 A C -2.376 175.207 177.584 -0.001 0.000 1.072 174 A CA -0.833 51.183 52.037 -0.035 0.000 0.691 174 A CB 3.224 22.198 19.000 -0.044 0.000 1.291 174 A HN 0.456 8.557 8.150 -0.082 0.000 0.404 175 D N -0.623 119.790 120.400 0.023 0.000 2.423 175 D HA -0.159 4.614 4.640 0.034 -0.113 0.238 175 D C -1.306 175.081 176.300 0.144 0.000 1.142 175 D CA 0.613 54.642 54.000 0.047 0.000 0.884 175 D CB 0.806 41.619 40.800 0.021 0.000 1.199 175 D HN -0.016 8.363 8.370 0.014 0.000 0.438 176 F N 3.063 122.960 119.950 -0.088 0.000 3.282 176 F HA 0.241 4.730 4.527 -0.063 0.000 0.398 176 F C -2.247 173.502 175.800 -0.084 0.000 1.205 176 F CA -0.129 57.816 58.000 -0.091 0.000 1.273 176 F CB 1.914 40.826 39.000 -0.146 0.000 2.153 176 F HN 0.135 8.404 8.300 0.105 0.094 0.680 177 T N 0.640 115.057 114.554 -0.228 0.000 2.944 177 T HA 0.342 4.782 4.350 -0.168 -0.191 0.284 177 T C 0.037 174.595 174.700 -0.236 0.000 1.010 177 T CA -1.880 60.106 62.100 -0.189 0.000 1.025 177 T CB 2.596 71.407 68.868 -0.095 0.000 1.079 177 T HN -0.111 8.014 8.240 -0.192 0.000 0.516 178 N N -3.416 115.205 118.700 -0.132 0.000 2.741 178 N HA -0.432 4.282 4.740 -0.045 0.000 0.251 178 N C -1.510 173.949 175.510 -0.085 0.000 1.112 178 N CA 1.769 54.768 53.050 -0.086 0.000 0.750 178 N CB -0.920 37.518 38.487 -0.081 0.000 1.119 178 N HN 0.445 8.766 8.380 -0.098 0.000 0.561 179 F N 1.940 121.752 119.950 -0.231 0.000 2.438 179 F HA -0.113 4.350 4.527 -0.107 0.000 0.356 179 F C -1.414 174.460 175.800 0.122 0.000 1.099 179 F CA 0.581 58.519 58.000 -0.103 0.000 1.185 179 F CB 0.631 39.560 39.000 -0.120 0.000 1.115 179 F HN -0.716 7.511 8.300 -0.056 0.040 0.526 180 D N 7.869 127.842 120.400 -0.711 0.000 2.412 180 D HA 0.337 4.914 4.640 -0.106 0.000 0.224 180 D C -0.760 175.264 176.300 -0.460 0.000 1.093 180 D CA -4.047 49.728 54.000 -0.375 0.000 0.850 180 D CB 1.405 42.053 40.800 -0.253 0.000 1.046 180 D HN 0.162 7.937 8.370 -0.991 0.000 0.507 181 P HA 0.045 4.589 4.420 0.207 0.000 0.237 181 P C 1.301 178.661 177.300 0.100 0.000 1.178 181 P CA 0.851 64.005 63.100 0.090 0.000 0.766 181 P CB 0.384 32.093 31.700 0.015 0.000 0.876 182 R N -0.235 120.333 120.500 0.113 0.000 2.159 182 R HA -0.235 4.218 4.340 0.188 0.000 0.237 182 R C 2.470 178.795 176.300 0.041 0.000 1.131 182 R CA 3.076 59.247 56.100 0.118 0.000 0.982 182 R CB -0.575 29.771 30.300 0.078 0.000 0.868 182 R HN -0.003 8.560 8.270 0.077 -0.247 0.453 183 G N -2.734 106.056 108.800 -0.017 0.000 2.776 183 G HA2 -0.088 3.876 3.960 0.007 0.000 0.209 183 G HA3 -0.088 3.852 3.960 -0.034 0.000 0.209 183 G C 0.042 174.985 174.900 0.071 0.000 1.145 183 G CA 0.727 45.828 45.100 0.001 0.000 0.791 183 G HN -0.421 7.791 8.290 -0.081 0.029 0.530 184 L N -1.523 119.752 121.223 0.088 0.000 2.693 184 L HA 0.183 4.607 4.340 0.140 0.000 0.235 184 L C -0.693 176.219 176.870 0.070 0.000 1.127 184 L CA -0.858 54.046 54.840 0.106 0.000 0.914 184 L CB 0.460 42.561 42.059 0.070 0.000 1.193 184 L HN -0.712 7.395 8.230 0.076 0.169 0.502 185 L N -1.544 119.712 121.223 0.055 0.000 2.357 185 L HA 0.314 4.671 4.340 0.029 0.000 0.273 185 L C -1.450 175.433 176.870 0.021 0.000 1.080 185 L CA -2.384 52.475 54.840 0.031 0.000 0.803 185 L CB -0.048 42.020 42.059 0.015 0.000 1.174 185 L HN -1.011 7.252 8.230 0.055 0.000 0.443 186 P HA 0.130 4.557 4.420 0.012 0.000 0.279 186 P C -0.758 176.533 177.300 -0.015 0.000 1.282 186 P CA -0.917 62.185 63.100 0.002 0.000 0.788 186 P CB 0.677 32.375 31.700 -0.003 0.000 1.139 187 E N -1.381 118.807 120.200 -0.020 0.000 2.031 187 E HA -0.234 4.101 4.350 -0.025 0.000 0.193 187 E C 0.339 176.912 176.600 -0.044 0.000 0.994 187 E CA 2.188 58.571 56.400 -0.030 0.000 0.800 187 E CB 0.351 30.033 29.700 -0.029 0.000 0.752 187 E HN 0.150 8.693 8.360 -0.017 -0.194 0.447 188 S N -1.427 114.237 115.700 -0.060 0.000 2.554 188 S HA 0.026 4.452 4.470 -0.073 0.000 0.278 188 S C 0.093 174.649 174.600 -0.074 0.000 1.242 188 S CA -0.691 57.460 58.200 -0.082 0.000 1.051 188 S CB 0.735 63.857 63.200 -0.130 0.000 0.986 188 S HN -0.488 8.082 8.310 -0.061 -0.297 0.502 189 L N 4.109 125.299 121.223 -0.056 0.000 2.791 189 L HA 0.213 4.541 4.340 -0.020 0.000 0.239 189 L C -0.454 176.447 176.870 0.052 0.000 1.203 189 L CA -1.282 53.551 54.840 -0.011 0.000 1.002 189 L CB -0.452 41.602 42.059 -0.009 0.000 1.295 189 L HN 0.263 8.462 8.230 -0.053 0.000 0.504 190 D N 0.345 120.692 120.400 -0.088 0.000 2.443 190 D HA 0.001 4.580 4.640 -0.102 0.000 0.239 190 D C -0.465 175.754 176.300 -0.135 0.000 1.136 190 D CA 1.445 55.332 54.000 -0.187 0.000 0.879 190 D CB 0.509 40.970 40.800 -0.566 0.000 1.195 190 D HN -0.714 7.511 8.370 -0.146 0.057 0.443 191 Y N -2.765 117.498 120.300 -0.062 0.000 2.625 191 Y HA 0.633 5.204 4.550 -0.180 -0.129 0.338 191 Y C -2.299 173.584 175.900 -0.028 0.000 1.123 191 Y CA -2.383 55.671 58.100 -0.077 0.000 1.046 191 Y CB 2.862 41.321 38.460 -0.002 0.000 1.299 191 Y HN 0.254 8.335 8.280 -0.331 0.000 0.464 192 W N -1.691 119.867 121.300 0.429 0.000 2.578 192 W HA 0.835 5.824 4.660 0.217 -0.199 0.346 192 W C -0.275 176.500 176.519 0.426 0.000 1.075 192 W CA -1.503 56.039 57.345 0.328 0.000 1.233 192 W CB 3.404 33.021 29.460 0.262 0.000 1.358 192 W HN 0.525 9.023 8.180 0.530 0.000 0.574 193 T N 0.947 115.859 114.554 0.595 0.000 2.933 193 T HA 0.911 5.704 4.350 0.414 -0.196 0.305 193 T C -2.041 172.919 174.700 0.433 0.000 1.092 193 T CA -1.965 60.401 62.100 0.443 0.000 1.008 193 T CB 2.030 71.107 68.868 0.348 0.000 1.102 193 T HN 0.628 9.188 8.240 0.532 0.000 0.469 194 Y N 1.696 122.136 120.300 0.233 0.000 2.677 194 Y HA 0.690 5.335 4.550 0.158 0.000 0.334 194 Y C -3.417 172.619 175.900 0.226 0.000 1.196 194 Y CA -2.368 55.847 58.100 0.193 0.000 1.059 194 Y CB 0.899 39.456 38.460 0.163 0.000 1.315 194 Y HN -0.062 8.289 8.280 0.118 0.000 0.455 195 P HA 0.404 4.933 4.420 -0.017 -0.119 0.292 195 P C -1.195 176.190 177.300 0.142 0.000 1.287 195 P CA -0.791 62.344 63.100 0.059 0.000 0.800 195 P CB 1.187 32.958 31.700 0.118 0.000 0.945 196 G N 2.425 111.313 108.800 0.146 0.000 2.827 196 G HA2 0.497 4.970 3.960 0.314 0.000 0.202 196 G HA3 0.497 4.717 3.960 0.434 0.000 0.202 196 G C -2.597 172.482 174.900 0.300 0.000 1.185 196 G CA 0.294 45.588 45.100 0.324 0.000 0.920 196 G HN 0.715 9.066 8.290 0.102 0.000 0.550 197 S N -0.926 115.036 115.700 0.436 0.000 2.661 197 S HA 0.686 5.402 4.470 0.191 -0.132 0.285 197 S C -0.097 174.735 174.600 0.387 0.000 1.138 197 S CA -2.257 56.118 58.200 0.292 0.000 0.855 197 S CB 3.511 66.826 63.200 0.192 0.000 1.136 197 S HN -0.067 8.595 8.310 0.586 0.000 0.484 198 L N -0.489 120.858 121.223 0.207 0.000 2.483 198 L HA -0.041 4.471 4.340 0.287 0.000 0.276 198 L C 1.352 178.354 176.870 0.220 0.000 1.213 198 L CA 0.960 55.927 54.840 0.211 0.000 0.843 198 L CB -0.249 41.851 42.059 0.069 0.000 1.107 198 L HN 0.027 8.330 8.230 0.123 0.000 0.487 199 T N -4.523 110.207 114.554 0.293 0.000 3.086 199 T HA 0.088 4.564 4.350 0.211 0.000 0.250 199 T C -0.427 174.374 174.700 0.168 0.000 1.074 199 T CA -0.273 61.976 62.100 0.249 0.000 0.988 199 T CB 0.345 69.380 68.868 0.279 0.000 0.988 199 T HN 0.140 8.608 8.240 0.380 0.000 0.530 200 T N -2.184 112.328 114.554 -0.070 0.000 2.908 200 T HA 0.397 4.188 4.350 -0.931 0.000 0.290 200 T C -2.754 171.365 174.700 -0.968 0.000 1.034 200 T CA -3.797 57.918 62.100 -0.641 0.000 1.010 200 T CB 1.399 70.006 68.868 -0.435 0.000 1.068 200 T HN -0.797 7.395 8.240 -0.008 0.043 0.481 201 P HA 0.055 3.567 4.420 -1.607 -0.056 0.264 201 P C -1.408 175.253 177.300 -1.064 0.000 1.183 201 P CA -0.432 61.559 63.100 -1.849 0.000 0.763 201 P CB -0.303 29.593 31.700 -3.007 0.000 0.807 202 P HA 0.066 3.718 4.420 -1.278 0.000 0.257 202 P C -0.819 176.236 177.300 -0.408 0.000 1.325 202 P CA -0.278 62.412 63.100 -0.684 0.000 0.850 202 P CB 0.318 31.900 31.700 -0.197 0.000 1.324 203 L N -5.296 115.702 121.223 -0.375 0.000 4.040 203 L HA -0.513 3.939 4.340 -0.125 -0.186 0.410 203 L C -1.203 175.639 176.870 -0.046 0.000 1.187 203 L CA 0.367 55.106 54.840 -0.168 0.000 0.956 203 L CB -2.572 39.407 42.059 -0.133 0.000 2.022 203 L HN -0.361 7.556 8.230 -0.425 0.058 0.897 204 L N -3.473 117.718 121.223 -0.054 0.000 2.485 204 L HA -0.120 4.212 4.340 -0.012 0.000 0.275 204 L C 0.139 177.017 176.870 0.013 0.000 1.207 204 L CA 0.357 55.183 54.840 -0.023 0.000 0.855 204 L CB 0.323 42.350 42.059 -0.054 0.000 1.114 204 L HN -0.436 7.721 8.230 -0.086 0.021 0.485 205 E N 2.657 122.870 120.200 0.022 0.000 2.122 205 E HA 0.105 4.619 4.350 0.079 -0.116 0.288 205 E C -0.192 176.423 176.600 0.025 0.000 1.260 205 E CA -0.117 56.313 56.400 0.049 0.000 1.344 205 E CB -1.449 28.285 29.700 0.057 0.000 1.337 205 E HN 0.650 9.018 8.360 0.013 0.000 0.484 206 C N -3.309 115.996 119.300 0.008 0.000 3.386 206 C HA 0.485 5.156 4.460 -0.014 -0.219 0.279 206 C C -1.633 173.344 174.990 -0.023 0.000 1.508 206 C CA -2.214 56.791 59.018 -0.020 0.000 1.801 206 C CB 1.401 29.099 27.740 -0.070 0.000 2.798 206 C HN -0.128 8.076 8.230 0.018 0.037 0.605 207 V N 2.310 122.198 119.914 -0.043 0.000 2.417 207 V HA 0.310 4.483 4.120 -0.194 -0.169 0.291 207 V C -1.116 174.850 176.094 -0.215 0.000 1.024 207 V CA -1.580 60.602 62.300 -0.196 0.000 0.861 207 V CB 1.963 33.546 31.823 -0.399 0.000 0.985 207 V HN -0.564 7.627 8.190 0.002 0.000 0.436 208 T N 9.047 123.444 114.554 -0.260 0.000 2.723 208 T HA 0.144 4.383 4.350 -0.184 0.000 0.297 208 T C -0.814 173.637 174.700 -0.414 0.000 0.925 208 T CA 1.069 63.012 62.100 -0.261 0.000 1.030 208 T CB 0.399 69.128 68.868 -0.233 0.000 0.905 208 T HN 0.333 8.431 8.240 -0.236 0.000 0.502 209 W N 8.539 129.621 121.300 -0.364 0.000 2.316 209 W HA 0.123 4.764 4.660 -0.259 -0.136 0.311 209 W C -0.789 175.596 176.519 -0.223 0.000 1.217 209 W CA -0.306 56.830 57.345 -0.349 0.000 1.199 209 W CB 1.413 30.511 29.460 -0.602 0.000 1.202 209 W HN 0.482 8.533 8.180 -0.215 0.000 0.528 210 I N 3.577 124.176 120.570 0.048 0.000 2.448 210 I HA 0.488 4.881 4.170 0.089 -0.170 0.281 210 I C -1.357 174.826 176.117 0.111 0.000 1.027 210 I CA -0.679 60.623 61.300 0.002 0.000 1.111 210 I CB 1.992 39.818 38.000 -0.290 0.000 1.236 210 I HN 0.678 8.896 8.210 0.014 0.000 0.452 211 V N 7.587 127.644 119.914 0.238 0.000 2.357 211 V HA 0.396 4.727 4.120 0.060 -0.175 0.284 211 V C -0.779 175.466 176.094 0.253 0.000 1.018 211 V CA -1.609 60.797 62.300 0.178 0.000 0.841 211 V CB 1.642 33.546 31.823 0.135 0.000 0.991 211 V HN 0.747 9.149 8.190 0.353 0.000 0.437 212 L N 6.825 128.098 121.223 0.084 0.000 2.416 212 L HA 0.014 4.547 4.340 0.057 -0.159 0.272 212 L C 0.341 177.255 176.870 0.072 0.000 1.161 212 L CA 0.385 55.253 54.840 0.047 0.000 0.845 212 L CB -0.148 41.906 42.059 -0.009 0.000 1.119 212 L HN 0.267 8.497 8.230 -0.000 0.000 0.464 213 K N 3.773 124.061 120.400 -0.187 0.000 2.103 213 K HA -0.221 4.060 4.320 -0.065 0.000 0.204 213 K C 0.023 176.624 176.600 0.003 0.000 1.052 213 K CA 1.772 57.897 56.287 -0.269 0.000 0.945 213 K CB 0.435 32.417 32.500 -0.864 0.000 0.722 213 K HN -0.021 8.048 8.250 -0.303 0.000 0.443 214 E N -0.961 119.203 120.200 -0.059 0.000 2.152 214 E HA 0.206 4.560 4.350 0.006 0.000 0.285 214 E C -1.826 174.799 176.600 0.041 0.000 1.043 214 E CA -3.355 53.038 56.400 -0.013 0.000 0.839 214 E CB 0.691 30.356 29.700 -0.059 0.000 1.069 214 E HN -0.102 8.194 8.360 -0.108 0.000 0.399 215 P HA 0.040 4.601 4.420 0.053 -0.109 0.274 215 P C -1.035 176.301 177.300 0.061 0.000 1.237 215 P CA -0.589 62.539 63.100 0.048 0.000 0.793 215 P CB 1.118 32.826 31.700 0.014 0.000 0.977 216 I N -5.009 115.606 120.570 0.074 0.000 2.577 216 I HA 0.348 4.555 4.170 0.063 0.000 0.300 216 I C -0.938 175.232 176.117 0.089 0.000 0.990 216 I CA -0.957 60.390 61.300 0.078 0.000 1.283 216 I CB 1.785 39.839 38.000 0.090 0.000 1.411 216 I HN 0.211 8.471 8.210 0.083 0.000 0.515 217 S N 2.712 118.454 115.700 0.070 0.000 2.480 217 S HA 0.658 5.372 4.470 0.071 -0.202 0.286 217 S C -0.425 174.198 174.600 0.039 0.000 1.180 217 S CA -1.464 56.772 58.200 0.059 0.000 1.075 217 S CB 0.552 63.779 63.200 0.045 0.000 0.996 217 S HN 0.020 8.366 8.310 0.060 0.000 0.487 218 V N 0.019 119.942 119.914 0.015 0.000 2.960 218 V HA 0.749 5.035 4.120 -0.023 -0.180 0.315 218 V C -1.030 175.031 176.094 -0.056 0.000 1.087 218 V CA -3.273 59.005 62.300 -0.036 0.000 0.982 218 V CB 3.355 35.117 31.823 -0.101 0.000 1.039 218 V HN 0.425 8.627 8.190 0.021 0.000 0.437 219 S N 0.729 116.383 115.700 -0.077 0.000 2.617 219 S HA 0.412 5.060 4.470 -0.047 -0.206 0.269 219 S C 1.144 175.683 174.600 -0.102 0.000 1.292 219 S CA -1.540 56.618 58.200 -0.069 0.000 1.010 219 S CB 2.135 65.301 63.200 -0.057 0.000 0.944 219 S HN -0.063 8.459 8.310 -0.084 -0.262 0.536 220 S N 2.191 117.847 115.700 -0.073 0.000 2.383 220 S HA -0.408 4.012 4.470 -0.083 0.000 0.229 220 S C 1.784 176.323 174.600 -0.102 0.000 1.030 220 S CA 3.842 61.996 58.200 -0.077 0.000 1.002 220 S CB -0.347 62.827 63.200 -0.044 0.000 0.829 220 S HN 0.742 9.020 8.310 -0.053 0.000 0.467 221 E N 0.178 120.324 120.200 -0.091 0.000 2.106 221 E HA -0.329 3.972 4.350 -0.081 0.000 0.192 221 E C 2.484 178.997 176.600 -0.144 0.000 0.984 221 E CA 3.464 59.808 56.400 -0.093 0.000 0.806 221 E CB -0.811 28.851 29.700 -0.065 0.000 0.750 221 E HN 0.152 8.458 8.360 -0.076 0.009 0.458 222 Q N -0.447 119.240 119.800 -0.188 0.000 2.050 222 Q HA -0.297 3.903 4.340 -0.234 0.000 0.202 222 Q C 2.600 178.276 176.000 -0.540 0.000 0.980 222 Q CA 3.063 58.688 55.803 -0.297 0.000 0.840 222 Q CB 0.179 28.750 28.738 -0.279 0.000 0.898 222 Q HN -0.623 7.464 8.270 -0.164 0.085 0.424 223 V N 0.120 119.713 119.914 -0.536 0.000 2.548 223 V HA -0.377 2.996 4.120 -1.245 0.000 0.249 223 V C 1.323 177.199 176.094 -0.364 0.000 1.055 223 V CA 2.881 64.774 62.300 -0.678 0.000 1.065 223 V CB -0.052 31.521 31.823 -0.417 0.000 0.681 223 V HN -0.660 7.297 8.190 -0.390 0.000 0.462 224 L N -1.637 119.461 121.223 -0.208 0.000 2.127 224 L HA -0.434 3.871 4.340 -0.058 0.000 0.211 224 L C 1.580 178.397 176.870 -0.088 0.000 1.089 224 L CA 2.886 57.666 54.840 -0.100 0.000 0.757 224 L CB -0.404 41.616 42.059 -0.066 0.000 0.899 224 L HN -0.175 7.936 8.230 -0.198 0.000 0.434 225 K N -2.244 118.079 120.400 -0.127 0.000 2.155 225 K HA -0.249 4.036 4.320 -0.058 0.000 0.203 225 K C 3.066 179.649 176.600 -0.028 0.000 1.052 225 K CA 2.871 59.112 56.287 -0.077 0.000 0.948 225 K CB -0.289 32.161 32.500 -0.084 0.000 0.728 225 K HN -0.811 7.327 8.250 -0.175 0.008 0.448 226 F N -0.981 118.728 119.950 -0.401 0.000 2.126 226 F HA -0.240 3.918 4.527 -0.614 0.000 0.299 226 F C 1.907 177.514 175.800 -0.323 0.000 1.096 226 F CA 1.222 58.823 58.000 -0.665 0.000 1.255 226 F CB -1.067 37.082 39.000 -1.419 0.000 0.997 226 F HN -0.840 7.306 8.300 -0.122 0.082 0.479 227 R N -5.530 115.001 120.500 0.053 0.000 2.339 227 R HA -0.083 4.519 4.340 0.436 0.000 0.199 227 R C 0.551 176.927 176.300 0.127 0.000 1.018 227 R CA 1.166 57.398 56.100 0.220 0.000 1.036 227 R CB -0.522 29.888 30.300 0.183 0.000 0.899 227 R HN -0.736 7.427 8.270 -0.011 0.101 0.473 228 K N -2.836 117.599 120.400 0.059 0.000 2.400 228 K HA -0.068 4.273 4.320 0.035 0.000 0.194 228 K C 0.684 177.297 176.600 0.022 0.000 1.033 228 K CA 0.208 56.512 56.287 0.028 0.000 1.021 228 K CB 0.593 33.090 32.500 -0.004 0.000 0.808 228 K HN -0.716 7.384 8.250 0.033 0.170 0.505 229 L N -0.692 120.557 121.223 0.042 0.000 2.479 229 L HA -0.187 4.154 4.340 0.003 0.000 0.270 229 L C -0.582 176.288 176.870 0.001 0.000 1.236 229 L CA 0.748 55.610 54.840 0.036 0.000 0.823 229 L CB 0.529 42.659 42.059 0.117 0.000 1.098 229 L HN -0.810 7.459 8.230 0.065 0.000 0.500 230 N N -1.940 116.752 118.700 -0.012 0.000 2.269 230 N HA 0.373 5.232 4.740 -0.047 -0.148 0.304 230 N C 0.590 176.104 175.510 0.006 0.000 1.072 230 N CA -0.794 52.246 53.050 -0.018 0.000 0.802 230 N CB 3.066 41.572 38.487 0.032 0.000 1.348 230 N HN -0.013 8.370 8.380 0.005 0.000 0.484 231 F N 0.358 120.354 119.950 0.077 0.000 2.206 231 F HA -0.152 4.411 4.527 0.061 0.000 0.298 231 F C 0.592 176.412 175.800 0.033 0.000 1.090 231 F CA 2.246 60.282 58.000 0.059 0.000 1.323 231 F CB 0.320 39.360 39.000 0.066 0.000 1.028 231 F HN 0.283 8.617 8.300 0.057 0.000 0.492 232 N N -2.608 116.230 118.700 0.229 0.000 2.399 232 N HA -0.088 4.720 4.740 0.113 0.000 0.250 232 N C 0.279 175.836 175.510 0.077 0.000 1.272 232 N CA -0.014 53.111 53.050 0.125 0.000 0.928 232 N CB 0.721 39.268 38.487 0.101 0.000 1.158 232 N HN -0.832 7.685 8.380 0.229 0.000 0.463 233 G N -2.696 106.132 108.800 0.046 0.000 2.572 233 G HA2 0.007 3.981 3.960 0.024 0.000 0.261 233 G HA3 0.007 3.976 3.960 0.015 0.000 0.261 233 G C -1.866 173.047 174.900 0.020 0.000 1.197 233 G CA -1.333 43.782 45.100 0.025 0.000 0.870 233 G HN -0.220 8.342 8.290 0.041 -0.248 0.548 234 E N 1.791 121.997 120.200 0.010 0.000 2.465 234 E HA -0.301 4.054 4.350 0.009 0.000 0.260 234 E C 1.001 177.605 176.600 0.007 0.000 0.980 234 E CA 1.375 57.779 56.400 0.006 0.000 0.927 234 E CB 0.172 29.872 29.700 -0.001 0.000 0.934 234 E HN 0.109 8.473 8.360 0.006 0.000 0.459 235 G N 4.210 113.015 108.800 0.008 0.000 2.160 235 G HA2 -0.458 3.507 3.960 0.008 0.000 0.244 235 G HA3 -0.458 3.505 3.960 0.005 0.000 0.244 235 G C -0.889 174.018 174.900 0.011 0.000 1.022 235 G CA 0.145 45.250 45.100 0.008 0.000 0.741 235 G HN 0.512 8.807 8.290 0.009 0.000 0.508 236 E N -0.515 119.696 120.200 0.018 0.000 2.320 236 E HA 0.300 4.660 4.350 0.018 0.000 0.264 236 E C -2.598 174.020 176.600 0.030 0.000 0.923 236 E CA -3.213 53.200 56.400 0.023 0.000 0.796 236 E CB 1.486 31.203 29.700 0.027 0.000 1.262 236 E HN -0.637 7.735 8.360 0.020 0.000 0.428 237 P HA -0.074 4.367 4.420 0.034 0.000 0.264 237 P C -1.637 175.695 177.300 0.054 0.000 1.193 237 P CA 0.072 63.195 63.100 0.039 0.000 0.763 237 P CB 0.562 32.285 31.700 0.037 0.000 0.810 238 E N 4.084 124.315 120.200 0.052 0.000 2.299 238 E HA -0.230 4.323 4.350 0.065 -0.163 0.272 238 E C -0.582 176.069 176.600 0.085 0.000 1.043 238 E CA 0.265 56.703 56.400 0.062 0.000 0.895 238 E CB 0.441 30.169 29.700 0.047 0.000 1.011 238 E HN 0.095 8.482 8.360 0.045 0.000 0.432 239 E N 7.848 128.119 120.200 0.119 0.000 2.182 239 E HA 0.316 4.756 4.350 0.151 0.000 0.258 239 E C -1.303 175.382 176.600 0.142 0.000 0.879 239 E CA -1.698 54.807 56.400 0.174 0.000 0.754 239 E CB 2.387 32.245 29.700 0.263 0.000 1.162 239 E HN 0.382 9.181 8.360 0.122 -0.365 0.419 240 L N 4.346 125.618 121.223 0.082 0.000 2.490 240 L HA -0.070 4.398 4.340 -0.030 -0.146 0.274 240 L C 0.625 177.322 176.870 -0.289 0.000 1.201 240 L CA -0.015 54.813 54.840 -0.020 0.000 0.869 240 L CB 0.589 42.672 42.059 0.041 0.000 1.123 240 L HN 0.535 8.825 8.230 0.100 0.000 0.484 241 M N 5.405 124.701 119.600 -0.508 0.000 2.618 241 M HA -0.007 2.817 4.480 -2.760 0.000 0.322 241 M C -1.959 174.093 176.300 -0.413 0.000 1.471 241 M CA 0.263 54.871 55.300 -1.153 0.000 1.450 241 M CB -1.419 30.820 32.600 -0.601 0.000 1.444 241 M HN 0.156 8.161 8.290 -0.275 0.120 0.471 242 V N -1.755 117.935 119.914 -0.374 0.000 3.114 242 V HA 0.269 4.284 4.120 -0.174 0.000 0.308 242 V C -1.438 174.645 176.094 -0.019 0.000 1.168 242 V CA -2.200 60.055 62.300 -0.075 0.000 1.015 242 V CB 3.653 35.572 31.823 0.160 0.000 1.050 242 V HN -0.456 7.484 8.190 -0.418 0.000 0.433 243 D N -1.465 118.955 120.400 0.032 0.000 2.723 243 D HA -0.326 4.657 4.640 0.445 -0.076 0.236 243 D C -0.301 175.832 176.300 -0.278 0.000 1.138 243 D CA 1.852 55.906 54.000 0.089 0.000 0.676 243 D CB -1.734 39.122 40.800 0.094 0.000 1.069 243 D HN 0.020 8.434 8.370 0.074 0.000 0.430 244 N N -3.502 114.956 118.700 -0.403 0.000 2.802 244 N HA 0.057 3.644 4.740 -1.921 0.000 0.288 244 N C -1.289 173.903 175.510 -0.531 0.000 1.268 244 N CA -1.005 51.419 53.050 -1.043 0.000 1.035 244 N CB -1.512 36.527 38.487 -0.746 0.000 1.353 244 N HN -0.309 7.828 8.380 -0.406 0.000 0.522 245 W N -5.640 115.524 121.300 -0.226 0.000 2.632 245 W HA 0.509 5.415 4.660 0.139 -0.162 0.328 245 W C -1.025 175.627 176.519 0.221 0.000 1.044 245 W CA -3.105 54.291 57.345 0.084 0.000 1.225 245 W CB 1.875 31.377 29.460 0.069 0.000 1.396 245 W HN -0.792 6.999 8.180 -0.508 0.084 0.499 246 R N 4.150 124.895 120.500 0.408 0.000 2.357 246 R HA 0.425 4.767 4.340 0.004 0.000 0.296 246 R C -1.890 174.562 176.300 0.253 0.000 1.052 246 R CA -3.012 53.200 56.100 0.188 0.000 0.988 246 R CB 1.921 32.347 30.300 0.209 0.000 1.025 246 R HN 0.444 9.310 8.270 0.400 -0.356 0.469 247 P HA 0.046 4.756 4.420 0.484 0.000 0.274 247 P C -0.741 176.605 177.300 0.076 0.000 1.256 247 P CA -0.848 62.399 63.100 0.246 0.000 0.795 247 P CB 0.664 32.447 31.700 0.139 0.000 1.038 248 A N -0.226 122.622 122.820 0.048 0.000 2.540 248 A HA -0.216 4.187 4.320 -0.084 -0.133 0.239 248 A C -0.785 176.773 177.584 -0.044 0.000 1.061 248 A CA 0.841 52.855 52.037 -0.039 0.000 0.758 248 A CB -0.006 18.966 19.000 -0.045 0.000 0.991 248 A HN 0.039 8.239 8.150 0.084 0.000 0.502 249 Q N 1.344 121.106 119.800 -0.064 0.000 2.297 249 Q HA 0.452 4.765 4.340 -0.044 0.000 0.269 249 Q C -1.953 174.016 176.000 -0.051 0.000 1.051 249 Q CA -3.301 52.474 55.803 -0.047 0.000 0.869 249 Q CB -0.003 28.721 28.738 -0.024 0.000 1.346 249 Q HN 0.049 8.267 8.270 -0.087 0.000 0.457 250 P HA -0.039 4.355 4.420 -0.044 0.000 0.267 250 P C 0.029 177.309 177.300 -0.034 0.000 1.205 250 P CA -0.098 62.980 63.100 -0.037 0.000 0.765 250 P CB 0.518 32.201 31.700 -0.027 0.000 0.828 251 L N 5.523 126.717 121.223 -0.049 0.000 2.141 251 L HA -0.243 4.058 4.340 -0.065 0.000 0.209 251 L C 0.940 177.805 176.870 -0.009 0.000 1.094 251 L CA 1.995 56.804 54.840 -0.052 0.000 0.763 251 L CB -0.425 41.587 42.059 -0.079 0.000 0.908 251 L HN 0.252 8.449 8.230 -0.055 0.000 0.437 252 K N -3.976 116.419 120.400 -0.007 0.000 1.867 252 K HA -0.495 3.825 4.320 0.001 0.000 0.140 252 K C 0.852 177.460 176.600 0.014 0.000 1.408 252 K CA 1.900 58.191 56.287 0.006 0.000 0.461 252 K CB -1.515 30.995 32.500 0.017 0.000 0.594 252 K HN -0.152 8.088 8.250 -0.016 0.000 0.888 253 N N 3.558 122.274 118.700 0.028 0.000 3.331 253 N HA 0.086 4.840 4.740 0.024 0.000 0.303 253 N C -1.170 174.369 175.510 0.048 0.000 1.326 253 N CA -0.277 52.792 53.050 0.032 0.000 1.207 253 N CB -1.081 37.425 38.487 0.032 0.000 1.477 253 N HN 0.160 8.559 8.380 0.032 0.000 0.541 254 R N -0.877 119.652 120.500 0.047 0.000 2.725 254 R HA 0.246 4.638 4.340 0.085 0.000 0.277 254 R C -1.421 174.912 176.300 0.055 0.000 0.987 254 R CA -0.979 55.165 56.100 0.074 0.000 0.901 254 R CB 3.165 33.534 30.300 0.116 0.000 1.207 254 R HN -0.655 7.581 8.270 0.031 0.052 0.463 255 Q N 0.798 120.646 119.800 0.082 0.000 2.333 255 Q HA 0.196 4.562 4.340 0.044 0.000 0.267 255 Q C -1.221 174.849 176.000 0.116 0.000 1.012 255 Q CA -1.075 54.770 55.803 0.071 0.000 0.824 255 Q CB 2.249 31.024 28.738 0.063 0.000 1.290 255 Q HN 0.211 8.543 8.270 0.103 0.000 0.449 256 I N 4.745 125.368 120.570 0.087 0.000 2.342 256 I HA 0.200 4.672 4.170 0.239 -0.158 0.291 256 I C -0.436 175.774 176.117 0.154 0.000 1.010 256 I CA -0.684 60.703 61.300 0.144 0.000 1.308 256 I CB 0.753 38.774 38.000 0.034 0.000 1.400 256 I HN 0.362 8.598 8.210 0.042 0.000 0.488 257 K N 6.429 126.954 120.400 0.208 0.000 2.164 257 K HA 0.677 5.213 4.320 0.098 -0.157 0.258 257 K C -1.490 175.213 176.600 0.172 0.000 0.951 257 K CA -1.830 54.543 56.287 0.143 0.000 0.844 257 K CB 3.147 35.707 32.500 0.101 0.000 1.099 257 K HN 0.106 8.512 8.250 0.260 0.000 0.435 258 A N 2.912 125.743 122.820 0.017 0.000 2.324 258 A HA 0.764 5.110 4.320 -0.210 -0.152 0.330 258 A C -0.249 177.141 177.584 -0.324 0.000 1.165 258 A CA -2.391 49.495 52.037 -0.251 0.000 0.813 258 A CB 2.873 21.525 19.000 -0.581 0.000 1.197 258 A HN 0.478 8.512 8.150 -0.011 0.109 0.484 259 S N 1.543 116.948 115.700 -0.492 0.000 2.593 259 S HA 0.022 4.306 4.470 -0.310 0.000 0.217 259 S C -0.732 173.887 174.600 0.031 0.000 0.966 259 S CA 0.792 58.754 58.200 -0.397 0.000 0.914 259 S CB 0.953 63.528 63.200 -1.040 0.000 0.776 259 S HN 0.130 8.098 8.310 -0.571 0.000 0.523 260 F N -4.025 115.896 119.950 -0.048 0.000 2.626 260 F HA 0.302 4.744 4.527 -0.143 0.000 0.311 260 F C -2.816 172.815 175.800 -0.282 0.000 1.088 260 F CA -2.046 55.859 58.000 -0.157 0.000 0.949 260 F CB 2.115 40.972 39.000 -0.238 0.000 1.322 260 F HN -0.862 7.016 8.300 -0.577 0.075 0.461 261 K N 0.000 120.136 120.400 -0.441 0.000 2.780 261 K HA 0.000 4.035 4.320 -0.475 0.000 0.191 261 K CA 0.000 56.002 56.287 -0.475 0.000 0.838 261 K CB 0.000 32.046 32.500 -0.756 0.000 1.064 261 K HN 0.000 8.038 8.250 -0.353 0.000 0.543