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 3lgv_1_G DATA FIRST_RESID 38 DATA SEQUENCE DSTDETPASY NLAVRRAAPA VVNVYNRXXX XXXXXXLEIR TLGSGVIMDQ DATA SEQUENCE RGYIITNKHV INDADQIIVA LQDGRVFEAL LVGSDSLTDL AVLKINATGG DATA SEQUENCE LPTIPINARR VPHIGDVVLA IGNPYNLGQT ITQGIISATG RIGLNPTGRQ DATA SEQUENCE NFLQTDASIN PGNSGGALVN SLGELMGINT LSFXXXXXGE TPEGIGFAIP DATA SEQUENCE FQLATKIMDK LIRD 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 38 D HA 0.000 4.638 4.640 -0.004 0.000 0.175 38 D C 0.000 176.297 176.300 -0.005 0.000 2.045 38 D CA 0.000 53.997 54.000 -0.005 0.000 0.868 38 D CB 0.000 40.797 40.800 -0.004 0.000 0.688 39 S N -0.471 115.226 115.700 -0.005 0.000 2.661 39 S HA 0.320 4.787 4.470 -0.005 0.000 0.285 39 S C -0.269 174.327 174.600 -0.006 0.000 1.138 39 S CA -0.339 57.858 58.200 -0.005 0.000 0.855 39 S CB 1.059 64.256 63.200 -0.005 0.000 1.136 39 S HN -0.109 8.197 8.310 -0.006 0.000 0.484 40 T N 0.679 115.229 114.554 -0.006 0.000 3.122 40 T HA 0.176 4.521 4.350 -0.008 0.000 0.250 40 T C 0.206 174.902 174.700 -0.007 0.000 1.067 40 T CA -0.137 61.959 62.100 -0.007 0.000 0.966 40 T CB -0.102 68.762 68.868 -0.006 0.000 1.002 40 T HN 0.359 8.596 8.240 -0.005 0.000 0.542 41 D N 0.571 120.967 120.400 -0.007 0.000 2.340 41 D HA 0.200 4.835 4.640 -0.007 0.000 0.217 41 D C -0.422 175.872 176.300 -0.009 0.000 1.081 41 D CA 0.399 54.395 54.000 -0.007 0.000 0.842 41 D CB 0.582 41.378 40.800 -0.006 0.000 0.934 41 D HN -0.194 8.116 8.370 -0.007 0.056 0.511 42 E N -0.160 120.034 120.200 -0.011 0.000 2.280 42 E HA 0.154 4.496 4.350 -0.013 0.000 0.264 42 E C -0.435 176.155 176.600 -0.017 0.000 1.064 42 E CA -0.061 56.330 56.400 -0.014 0.000 0.900 42 E CB 1.103 30.795 29.700 -0.014 0.000 1.123 42 E HN -0.214 8.081 8.360 -0.011 0.058 0.418 43 T N 4.062 118.604 114.554 -0.021 0.000 2.756 43 T HA 0.257 4.593 4.350 -0.025 0.000 0.290 43 T C -1.646 173.032 174.700 -0.037 0.000 0.985 43 T CA -2.141 59.943 62.100 -0.026 0.000 0.955 43 T CB 0.344 69.197 68.868 -0.026 0.000 0.930 43 T HN -0.121 8.107 8.240 -0.020 0.000 0.451 44 P HA 0.067 4.458 4.420 -0.048 0.000 0.271 44 P C -0.371 176.880 177.300 -0.082 0.000 1.220 44 P CA -0.620 62.449 63.100 -0.052 0.000 0.768 44 P CB 0.229 31.902 31.700 -0.044 0.000 0.848 45 A N 3.407 126.166 122.820 -0.101 0.000 2.584 45 A HA -0.087 4.133 4.320 -0.166 0.000 0.239 45 A C -0.378 177.061 177.584 -0.241 0.000 1.043 45 A CA 0.668 52.603 52.037 -0.170 0.000 0.756 45 A CB 0.154 19.054 19.000 -0.166 0.000 0.963 45 A HN 0.066 8.165 8.150 -0.084 0.000 0.511 46 S N 2.213 117.711 115.700 -0.338 0.000 2.547 46 S HA 0.090 4.360 4.470 -0.334 0.000 0.270 46 S C -1.085 173.262 174.600 -0.423 0.000 1.150 46 S CA -0.210 57.794 58.200 -0.326 0.000 0.850 46 S CB 0.874 63.993 63.200 -0.135 0.000 1.118 46 S HN -0.136 7.968 8.310 -0.344 0.000 0.461 47 Y N 2.277 122.578 120.300 0.002 0.000 2.720 47 Y HA 0.201 4.751 4.550 0.001 0.000 0.277 47 Y C 0.077 175.978 175.900 0.001 0.000 1.144 47 Y CA -0.742 57.359 58.100 0.002 0.000 1.221 47 Y CB -0.105 38.356 38.460 0.002 0.000 1.163 47 Y HN 0.206 8.433 8.280 -0.087 0.000 0.537 48 N N 1.533 120.281 118.700 0.081 0.000 2.104 48 N HA -0.380 4.398 4.740 0.064 0.000 0.190 48 N C 1.171 176.714 175.510 0.055 0.000 1.024 48 N CA 3.453 56.537 53.050 0.056 0.000 0.853 48 N CB 0.332 38.832 38.487 0.022 0.000 1.008 48 N HN -0.479 7.853 8.380 0.029 0.066 0.424 49 L N -0.024 121.231 121.223 0.053 0.000 1.997 49 L HA -0.351 4.007 4.340 0.031 0.000 0.216 49 L C 1.156 178.054 176.870 0.046 0.000 1.074 49 L CA 3.064 57.930 54.840 0.044 0.000 0.763 49 L CB -0.467 41.618 42.059 0.043 0.000 0.890 49 L HN -0.155 8.105 8.230 0.049 0.000 0.434 50 A N -3.495 119.365 122.820 0.068 0.000 1.940 50 A HA -0.402 3.934 4.320 0.028 0.000 0.219 50 A C 2.122 179.725 177.584 0.032 0.000 1.176 50 A CA 3.028 55.091 52.037 0.044 0.000 0.631 50 A CB -1.057 17.971 19.000 0.048 0.000 0.814 50 A HN 0.314 8.523 8.150 0.099 0.000 0.446 51 V N -1.702 118.239 119.914 0.046 0.000 2.453 51 V HA -0.524 3.613 4.120 0.027 0.000 0.247 51 V C 2.415 178.525 176.094 0.026 0.000 1.048 51 V CA 3.659 65.980 62.300 0.035 0.000 1.049 51 V CB -0.268 31.582 31.823 0.045 0.000 0.672 51 V HN -0.753 7.356 8.190 0.063 0.120 0.457 52 R N -0.966 119.550 120.500 0.026 0.000 2.148 52 R HA -0.254 4.098 4.340 0.020 0.000 0.227 52 R C 1.985 178.295 176.300 0.016 0.000 1.103 52 R CA 3.237 59.349 56.100 0.020 0.000 0.983 52 R CB -0.177 30.135 30.300 0.019 0.000 0.874 52 R HN -0.277 8.012 8.270 0.030 0.000 0.451 53 R N -3.320 117.188 120.500 0.013 0.000 2.080 53 R HA -0.097 4.248 4.340 0.007 0.000 0.222 53 R C 0.829 177.131 176.300 0.003 0.000 1.107 53 R CA 2.557 58.661 56.100 0.007 0.000 0.980 53 R CB 0.405 30.706 30.300 0.002 0.000 0.879 53 R HN -0.679 7.580 8.270 0.016 0.021 0.439 54 A N -2.811 120.010 122.820 0.002 0.000 1.909 54 A HA 0.155 4.471 4.320 -0.007 0.000 0.209 54 A C 1.206 178.793 177.584 0.005 0.000 1.247 54 A CA 1.488 53.523 52.037 -0.003 0.000 0.660 54 A CB 0.427 19.420 19.000 -0.013 0.000 0.910 54 A HN -0.376 7.777 8.150 0.005 0.000 0.465 55 A N -0.244 122.582 122.820 0.010 0.000 1.940 55 A HA -0.217 4.111 4.320 0.013 0.000 0.221 55 A C -0.982 176.613 177.584 0.019 0.000 1.190 55 A CA 4.279 56.325 52.037 0.015 0.000 0.647 55 A CB -2.467 16.545 19.000 0.019 0.000 0.821 55 A HN -0.157 7.999 8.150 0.011 0.000 0.457 56 P HA -0.215 4.223 4.420 0.030 0.000 0.223 56 P C -0.352 176.967 177.300 0.031 0.000 1.144 56 P CA 1.579 64.695 63.100 0.027 0.000 0.783 56 P CB -0.372 31.343 31.700 0.025 0.000 0.771 57 A N -5.053 117.781 122.820 0.024 0.000 2.147 57 A HA 0.159 4.497 4.320 0.031 0.000 0.211 57 A C -0.907 176.692 177.584 0.026 0.000 1.160 57 A CA -0.127 51.925 52.037 0.025 0.000 0.781 57 A CB 1.071 20.081 19.000 0.017 0.000 0.842 57 A HN -0.293 7.821 8.150 0.018 0.047 0.475 58 V N 0.771 120.698 119.914 0.022 0.000 2.432 58 V HA 0.242 4.561 4.120 0.017 -0.189 0.271 58 V C -0.272 175.834 176.094 0.022 0.000 1.046 58 V CA 0.386 62.696 62.300 0.018 0.000 0.945 58 V CB 0.359 32.187 31.823 0.009 0.000 0.992 58 V HN -0.811 7.391 8.190 0.020 0.000 0.471 59 V N 0.607 120.533 119.914 0.020 0.000 2.994 59 V HA 0.568 4.786 4.120 0.037 -0.076 0.318 59 V C -1.166 174.916 176.094 -0.019 0.000 1.085 59 V CA -3.515 58.800 62.300 0.025 0.000 0.998 59 V CB 2.814 34.669 31.823 0.054 0.000 1.063 59 V HN 0.095 8.188 8.190 0.016 0.107 0.447 60 N N 1.926 120.608 118.700 -0.031 0.000 2.419 60 N HA 0.234 4.849 4.740 -0.209 0.000 0.264 60 N C -0.435 174.896 175.510 -0.298 0.000 1.031 60 N CA -1.176 51.762 53.050 -0.187 0.000 0.951 60 N CB 0.369 38.766 38.487 -0.150 0.000 1.101 60 N HN -0.188 8.205 8.380 0.020 0.000 0.488 61 V N 3.502 123.195 119.914 -0.368 0.000 2.539 61 V HA 0.470 4.691 4.120 -0.115 -0.170 0.292 61 V C -0.909 174.896 176.094 -0.483 0.000 1.045 61 V CA -0.580 61.563 62.300 -0.261 0.000 0.945 61 V CB 1.478 33.235 31.823 -0.110 0.000 0.993 61 V HN -0.286 7.601 8.190 -0.332 0.104 0.464 62 Y N 2.963 123.280 120.300 0.029 0.000 2.442 62 Y HA 0.281 4.844 4.550 0.022 0.000 0.344 62 Y C -0.717 175.198 175.900 0.025 0.000 0.976 62 Y CA -0.812 57.303 58.100 0.024 0.000 1.040 62 Y CB 3.686 42.158 38.460 0.021 0.000 1.228 62 Y HN 0.442 8.799 8.280 0.129 0.000 0.451 63 N N 2.697 121.501 118.700 0.173 0.000 2.376 63 N HA -0.121 4.674 4.740 0.092 0.000 0.177 63 N C -0.618 174.951 175.510 0.098 0.000 1.024 63 N CA 0.570 53.684 53.050 0.108 0.000 0.893 63 N CB 1.725 40.259 38.487 0.078 0.000 0.980 63 N HN -0.052 8.434 8.380 0.178 0.000 0.439 75 E N 1.600 121.801 120.200 0.002 0.000 2.281 75 E HA 0.320 4.673 4.350 0.006 0.000 0.266 75 E C -1.662 174.952 176.600 0.022 0.000 0.893 75 E CA -0.186 56.220 56.400 0.010 0.000 0.798 75 E CB 0.875 30.583 29.700 0.014 0.000 1.245 75 E HN -0.114 8.249 8.360 0.005 0.000 0.410 76 I N 4.835 125.422 120.570 0.028 0.000 2.357 76 I HA -0.161 4.051 4.170 0.070 0.000 0.300 76 I C 0.049 176.208 176.117 0.070 0.000 1.159 76 I CA 0.366 61.703 61.300 0.063 0.000 1.339 76 I CB -0.693 37.357 38.000 0.083 0.000 1.458 76 I HN 0.352 8.574 8.210 0.020 0.000 0.577 77 R N 6.174 126.713 120.500 0.064 0.000 2.096 77 R HA -0.252 4.115 4.340 0.046 0.000 0.229 77 R C -0.007 176.328 176.300 0.059 0.000 1.134 77 R CA 2.417 58.549 56.100 0.054 0.000 0.917 77 R CB 0.354 30.683 30.300 0.048 0.000 0.832 77 R HN 0.022 8.329 8.270 0.062 0.000 0.430 78 T N -3.979 110.615 114.554 0.067 0.000 2.864 78 T HA 0.206 4.585 4.350 0.048 0.000 0.289 78 T C -2.369 172.368 174.700 0.062 0.000 1.082 78 T CA -1.481 60.652 62.100 0.054 0.000 1.009 78 T CB 3.130 72.022 68.868 0.039 0.000 1.234 78 T HN -0.509 7.776 8.240 0.074 0.000 0.526 79 L N -4.453 116.777 121.223 0.012 0.000 2.630 79 L HA 0.709 5.094 4.340 -0.078 -0.092 0.258 79 L C -1.322 175.484 176.870 -0.106 0.000 1.072 79 L CA -1.186 53.614 54.840 -0.067 0.000 0.885 79 L CB 3.266 45.280 42.059 -0.074 0.000 1.502 79 L HN 0.044 8.274 8.230 0.000 0.000 0.406 80 G N -1.998 106.693 108.800 -0.181 0.000 2.529 80 G HA2 0.372 4.402 3.960 -0.118 0.000 0.238 80 G HA3 0.372 4.279 3.960 -0.089 0.000 0.238 80 G C -2.035 172.773 174.900 -0.154 0.000 1.207 80 G CA 0.979 46.001 45.100 -0.131 0.000 0.928 80 G HN -0.216 7.904 8.290 -0.282 0.000 0.495 81 S N -0.235 115.411 115.700 -0.091 0.000 2.627 81 S HA 0.981 5.548 4.470 -0.097 -0.156 0.283 81 S C -1.119 173.460 174.600 -0.035 0.000 1.127 81 S CA -1.563 56.594 58.200 -0.072 0.000 0.863 81 S CB 4.131 67.302 63.200 -0.049 0.000 1.121 81 S HN 0.268 8.540 8.310 -0.063 0.000 0.479 82 G N -1.457 107.331 108.800 -0.019 0.000 2.695 82 G HA2 0.872 5.111 3.960 0.011 0.000 0.290 82 G HA3 0.872 4.837 3.960 0.009 0.000 0.290 82 G C -2.956 171.954 174.900 0.016 0.000 1.410 82 G CA -0.491 44.612 45.100 0.006 0.000 0.844 82 G HN -0.012 8.265 8.290 -0.022 0.000 0.478 83 V N -0.284 119.647 119.914 0.027 0.000 2.612 83 V HA 0.331 4.620 4.120 0.026 -0.153 0.301 83 V C -1.005 175.111 176.094 0.038 0.000 1.059 83 V CA -1.143 61.175 62.300 0.030 0.000 0.886 83 V CB 3.712 35.554 31.823 0.031 0.000 1.007 83 V HN -0.106 8.104 8.190 0.032 0.000 0.426 84 I N 7.877 128.467 120.570 0.034 0.000 2.436 84 I HA -0.035 4.295 4.170 0.041 -0.136 0.289 84 I C 0.047 176.188 176.117 0.041 0.000 1.083 84 I CA 0.988 62.309 61.300 0.035 0.000 1.372 84 I CB -0.082 37.932 38.000 0.023 0.000 1.408 84 I HN 0.175 8.404 8.210 0.030 0.000 0.516 85 M N 7.750 127.386 119.600 0.061 0.000 2.357 85 M HA 0.029 4.537 4.480 0.047 0.000 0.266 85 M C -0.002 176.333 176.300 0.058 0.000 1.095 85 M CA -0.330 55.006 55.300 0.060 0.000 1.156 85 M CB 0.235 32.878 32.600 0.071 0.000 1.365 85 M HN 0.407 8.744 8.290 0.079 0.000 0.447 86 D N -3.995 116.452 120.400 0.078 0.000 2.626 86 D HA 0.288 4.955 4.640 0.046 0.000 0.278 86 D C -0.381 175.947 176.300 0.047 0.000 1.211 86 D CA -1.003 53.036 54.000 0.066 0.000 0.903 86 D CB 0.792 41.644 40.800 0.087 0.000 1.408 86 D HN -0.773 7.656 8.370 0.099 0.000 0.454 87 Q N -2.652 117.165 119.800 0.029 0.000 2.291 87 Q HA -0.303 4.030 4.340 -0.012 0.000 0.206 87 Q C 1.167 177.151 176.000 -0.027 0.000 0.976 87 Q CA 2.352 58.154 55.803 -0.002 0.000 0.875 87 Q CB -0.096 28.642 28.738 0.001 0.000 0.927 87 Q HN 0.364 8.653 8.270 0.032 0.000 0.450 88 R N -3.004 117.501 120.500 0.008 0.000 2.159 88 R HA -0.283 4.025 4.340 -0.054 0.000 0.237 88 R C 0.697 176.868 176.300 -0.216 0.000 1.131 88 R CA 1.573 57.647 56.100 -0.043 0.000 0.982 88 R CB 0.492 30.864 30.300 0.120 0.000 0.868 88 R HN -0.375 8.055 8.270 0.058 -0.125 0.453 89 G N -5.580 103.110 108.800 -0.184 0.000 2.159 89 G HA2 -0.315 3.530 3.960 -0.191 0.000 0.170 89 G HA3 -0.315 3.620 3.960 -0.335 -0.176 0.170 89 G C -0.713 174.024 174.900 -0.273 0.000 1.007 89 G CA -0.551 44.392 45.100 -0.261 0.000 0.672 89 G HN -0.508 7.851 8.290 -0.072 -0.113 0.507 90 Y N 1.219 121.495 120.300 -0.041 0.000 2.377 90 Y HA 0.290 5.019 4.550 -0.027 -0.195 0.330 90 Y C -0.753 175.137 175.900 -0.016 0.000 1.108 90 Y CA 1.165 59.249 58.100 -0.025 0.000 1.308 90 Y CB 0.596 39.046 38.460 -0.017 0.000 1.216 90 Y HN -1.062 7.400 8.280 0.034 -0.161 0.518 91 I N 1.162 121.813 120.570 0.135 0.000 2.689 91 I HA 0.654 5.061 4.170 0.074 -0.193 0.299 91 I C -0.813 175.352 176.117 0.080 0.000 1.059 91 I CA -1.953 59.395 61.300 0.080 0.000 1.055 91 I CB 4.441 42.467 38.000 0.044 0.000 1.243 91 I HN 0.358 8.655 8.210 0.144 0.000 0.425 92 I N 4.220 124.826 120.570 0.061 0.000 2.412 92 I HA 0.761 5.141 4.170 0.051 -0.179 0.296 92 I C -0.778 175.364 176.117 0.040 0.000 0.987 92 I CA -1.250 60.080 61.300 0.050 0.000 1.180 92 I CB 2.422 40.451 38.000 0.049 0.000 1.340 92 I HN 0.258 8.502 8.210 0.056 0.000 0.455 93 T N 4.364 118.940 114.554 0.036 0.000 2.681 93 T HA 0.438 4.804 4.350 0.027 0.000 0.296 93 T C -2.068 172.652 174.700 0.034 0.000 1.157 93 T CA -2.576 59.541 62.100 0.029 0.000 1.025 93 T CB 1.786 70.667 68.868 0.021 0.000 1.441 93 T HN 0.385 8.647 8.240 0.036 0.000 0.504 94 N N 0.377 119.100 118.700 0.037 0.000 2.419 94 N HA 0.196 4.974 4.740 0.063 0.000 0.264 94 N C 0.518 176.049 175.510 0.034 0.000 1.031 94 N CA -0.635 52.450 53.050 0.059 0.000 0.951 94 N CB 0.977 39.518 38.487 0.090 0.000 1.101 94 N HN 0.361 8.760 8.380 0.030 0.000 0.488 95 K N 7.398 127.787 120.400 -0.019 0.000 2.059 95 K HA -0.434 3.848 4.320 -0.063 0.000 0.212 95 K C 1.917 178.456 176.600 -0.103 0.000 1.050 95 K CA 3.687 59.912 56.287 -0.103 0.000 0.927 95 K CB 0.153 32.523 32.500 -0.216 0.000 0.714 95 K HN -0.350 7.890 8.250 -0.016 0.000 0.447 96 H N -1.915 117.165 119.070 0.016 0.000 2.352 96 H HA -0.211 4.354 4.556 0.014 0.000 0.299 96 H C 3.047 178.381 175.328 0.009 0.000 1.097 96 H CA 3.365 59.421 56.048 0.013 0.000 1.311 96 H CB -0.118 29.651 29.762 0.011 0.000 1.377 96 H HN -0.007 8.227 8.280 -0.070 0.004 0.504 97 V N -2.691 117.298 119.914 0.125 0.000 2.469 97 V HA -0.307 3.851 4.120 0.064 0.000 0.251 97 V C 0.651 176.774 176.094 0.047 0.000 1.064 97 V CA 2.837 65.175 62.300 0.065 0.000 1.066 97 V CB 0.238 32.079 31.823 0.029 0.000 0.667 97 V HN -0.552 7.715 8.190 0.127 0.000 0.461 98 I N -9.729 110.864 120.570 0.037 0.000 3.941 98 I HA 0.150 4.342 4.170 0.036 0.000 0.335 98 I C -1.002 175.129 176.117 0.024 0.000 1.402 98 I CA -2.116 59.202 61.300 0.030 0.000 1.112 98 I CB -0.630 37.384 38.000 0.024 0.000 1.043 98 I HN -0.845 7.363 8.210 0.033 0.022 0.395 99 N N 3.306 122.021 118.700 0.026 0.000 2.497 99 N HA -0.082 4.662 4.740 0.008 0.000 0.268 99 N C -0.409 175.118 175.510 0.029 0.000 1.171 99 N CA 1.140 54.202 53.050 0.020 0.000 0.948 99 N CB 0.189 38.690 38.487 0.023 0.000 1.069 99 N HN -0.739 7.554 8.380 0.036 0.109 0.460 100 D N -1.960 118.453 120.400 0.023 0.000 2.735 100 D HA -0.343 4.310 4.640 0.021 0.000 0.235 100 D C -1.699 174.618 176.300 0.029 0.000 1.175 100 D CA 1.158 55.173 54.000 0.024 0.000 0.683 100 D CB -1.522 39.294 40.800 0.026 0.000 1.008 100 D HN 0.245 8.625 8.370 0.017 0.000 0.416 101 A N -3.190 119.647 122.820 0.029 0.000 2.288 101 A HA 0.176 4.720 4.320 0.038 -0.201 0.320 101 A C -0.410 177.193 177.584 0.032 0.000 1.217 101 A CA -1.263 50.795 52.037 0.035 0.000 0.840 101 A CB 1.966 20.990 19.000 0.040 0.000 1.179 101 A HN -0.343 7.823 8.150 0.027 0.000 0.504 102 D N 3.578 123.998 120.400 0.033 0.000 2.137 102 D HA -0.083 4.572 4.640 0.025 0.000 0.202 102 D C 0.416 176.734 176.300 0.031 0.000 0.970 102 D CA 2.131 56.148 54.000 0.028 0.000 0.837 102 D CB 0.749 41.564 40.800 0.025 0.000 0.981 102 D HN 0.493 8.884 8.370 0.035 0.000 0.475 103 Q N -1.561 118.262 119.800 0.039 0.000 2.444 103 Q HA 0.172 4.536 4.340 0.040 0.000 0.251 103 Q C -1.774 174.263 176.000 0.062 0.000 0.939 103 Q CA -0.605 55.224 55.803 0.044 0.000 0.740 103 Q CB 1.662 30.422 28.738 0.036 0.000 1.308 103 Q HN -0.828 7.467 8.270 0.043 0.000 0.461 104 I N 6.906 127.514 120.570 0.063 0.000 2.436 104 I HA 0.014 4.430 4.170 0.090 -0.192 0.289 104 I C -0.835 175.342 176.117 0.100 0.000 1.083 104 I CA 0.533 61.881 61.300 0.079 0.000 1.372 104 I CB 0.194 38.231 38.000 0.062 0.000 1.408 104 I HN 0.427 8.669 8.210 0.054 0.000 0.516 105 I N 7.918 128.576 120.570 0.146 0.000 2.441 105 I HA 0.416 4.787 4.170 0.142 -0.116 0.295 105 I C -1.374 174.879 176.117 0.227 0.000 0.994 105 I CA -1.326 60.080 61.300 0.176 0.000 1.144 105 I CB 3.343 41.442 38.000 0.164 0.000 1.314 105 I HN 0.394 8.708 8.210 0.173 0.000 0.445 106 V N 6.091 126.128 119.914 0.204 0.000 2.604 106 V HA 0.513 4.888 4.120 0.167 -0.155 0.305 106 V C -2.167 174.052 176.094 0.209 0.000 1.043 106 V CA -1.996 60.422 62.300 0.195 0.000 0.888 106 V CB 3.660 35.589 31.823 0.178 0.000 0.995 106 V HN 0.112 8.418 8.190 0.195 0.000 0.429 107 A N 6.310 129.248 122.820 0.196 0.000 2.335 107 A HA 0.777 5.319 4.320 0.108 -0.157 0.304 107 A C -1.795 175.862 177.584 0.121 0.000 1.118 107 A CA -1.988 50.143 52.037 0.157 0.000 0.757 107 A CB 2.962 22.098 19.000 0.226 0.000 1.188 107 A HN 0.329 8.583 8.150 0.172 0.000 0.460 108 L N 2.544 123.829 121.223 0.103 0.000 2.439 108 L HA 0.150 4.544 4.340 0.090 0.000 0.259 108 L C 1.670 178.577 176.870 0.061 0.000 1.129 108 L CA -0.686 54.210 54.840 0.092 0.000 0.803 108 L CB 1.357 43.488 42.059 0.121 0.000 1.161 108 L HN 0.075 8.357 8.230 0.087 0.000 0.462 109 Q N 1.688 121.519 119.800 0.053 0.000 2.482 109 Q HA -0.222 4.143 4.340 0.041 0.000 0.209 109 Q C -0.096 175.924 176.000 0.032 0.000 0.961 109 Q CA 2.276 58.103 55.803 0.041 0.000 0.945 109 Q CB -0.650 28.109 28.738 0.036 0.000 1.012 109 Q HN 0.788 9.090 8.270 0.054 0.000 0.515 110 D N -4.922 115.498 120.400 0.034 0.000 2.340 110 D HA -0.020 4.633 4.640 0.021 0.000 0.217 110 D C 0.646 176.951 176.300 0.008 0.000 1.081 110 D CA -0.854 53.161 54.000 0.025 0.000 0.842 110 D CB -1.121 39.699 40.800 0.034 0.000 0.934 110 D HN -0.631 7.709 8.370 0.044 0.056 0.511 111 G N -0.047 108.754 108.800 0.001 0.000 2.213 111 G HA2 -0.464 3.486 3.960 -0.016 0.000 0.236 111 G HA3 -0.464 3.481 3.960 -0.024 0.000 0.236 111 G C -0.328 174.531 174.900 -0.069 0.000 0.991 111 G CA -0.106 44.979 45.100 -0.024 0.000 0.629 111 G HN -0.511 7.728 8.290 0.011 0.059 0.517 112 R N 0.952 121.398 120.500 -0.089 0.000 2.543 112 R HA 0.030 4.204 4.340 -0.276 0.000 0.277 112 R C -1.308 174.803 176.300 -0.315 0.000 1.074 112 R CA 0.389 56.340 56.100 -0.249 0.000 1.076 112 R CB 1.248 31.399 30.300 -0.248 0.000 0.993 112 R HN -0.399 8.054 8.270 -0.044 -0.209 0.459 113 V N 2.434 122.046 119.914 -0.503 0.000 2.482 113 V HA 0.661 4.836 4.120 -0.191 -0.170 0.295 113 V C -0.430 175.358 176.094 -0.511 0.000 1.026 113 V CA -1.209 60.886 62.300 -0.342 0.000 0.856 113 V CB 1.871 33.591 31.823 -0.171 0.000 1.001 113 V HN 0.075 7.916 8.190 -0.581 0.000 0.424 114 F N 6.124 126.090 119.950 0.026 0.000 2.594 114 F HA 0.388 4.920 4.527 0.008 0.000 0.335 114 F C -1.176 174.637 175.800 0.022 0.000 1.058 114 F CA -1.774 56.235 58.000 0.015 0.000 0.981 114 F CB 3.555 42.559 39.000 0.006 0.000 1.289 114 F HN 0.165 8.517 8.300 0.087 0.000 0.490 115 E N 0.652 120.992 120.200 0.233 0.000 2.191 115 E HA 0.400 4.938 4.350 0.123 -0.114 0.278 115 E C -1.708 174.957 176.600 0.108 0.000 0.972 115 E CA -0.997 55.483 56.400 0.134 0.000 0.804 115 E CB 2.182 31.934 29.700 0.087 0.000 1.110 115 E HN 0.249 8.763 8.360 0.256 0.000 0.394 116 A N 5.594 128.462 122.820 0.080 0.000 2.324 116 A HA 0.469 4.946 4.320 0.021 -0.144 0.330 116 A C -1.294 176.308 177.584 0.030 0.000 1.165 116 A CA -1.648 50.415 52.037 0.044 0.000 0.813 116 A CB 2.249 21.279 19.000 0.050 0.000 1.197 116 A HN 0.117 8.317 8.150 0.084 0.000 0.484 117 L N 1.346 122.574 121.223 0.009 0.000 2.295 117 L HA 0.349 4.701 4.340 0.020 0.000 0.285 117 L C -0.343 176.541 176.870 0.023 0.000 1.035 117 L CA -1.821 53.028 54.840 0.014 0.000 0.806 117 L CB 1.310 43.371 42.059 0.003 0.000 1.214 117 L HN -0.009 8.215 8.230 -0.009 0.000 0.426 118 L N 4.498 125.738 121.223 0.028 0.000 2.515 118 L HA -0.026 4.336 4.340 0.035 0.000 0.281 118 L C 0.081 176.973 176.870 0.038 0.000 1.131 118 L CA 0.582 55.441 54.840 0.032 0.000 0.905 118 L CB -0.688 41.385 42.059 0.025 0.000 1.246 118 L HN 0.414 8.660 8.230 0.026 0.000 0.463 119 V N 6.785 126.734 119.914 0.058 0.000 3.141 119 V HA -0.177 3.984 4.120 0.069 0.000 0.265 119 V C 0.101 176.221 176.094 0.043 0.000 1.126 119 V CA 0.937 63.281 62.300 0.073 0.000 1.141 119 V CB 0.205 32.113 31.823 0.142 0.000 0.743 119 V HN 0.273 8.503 8.190 0.066 0.000 0.492 120 G N -2.025 106.792 108.800 0.030 0.000 2.528 120 G HA2 -0.186 3.779 3.960 0.009 0.000 0.681 120 G HA3 -0.186 3.780 3.960 0.009 0.000 0.681 120 G C -2.046 172.856 174.900 0.004 0.000 1.340 120 G CA -0.844 44.263 45.100 0.012 0.000 0.855 120 G HN -0.740 7.524 8.290 0.032 0.045 0.649 121 S N -0.554 115.141 115.700 -0.008 0.000 2.758 121 S HA 0.348 4.898 4.470 -0.014 -0.089 0.292 121 S C -1.368 173.217 174.600 -0.025 0.000 1.131 121 S CA -1.275 56.913 58.200 -0.019 0.000 0.997 121 S CB 2.423 65.602 63.200 -0.035 0.000 1.111 121 S HN 0.033 8.337 8.310 -0.010 0.000 0.552 122 D N 0.007 120.388 120.400 -0.032 0.000 2.391 122 D HA 0.339 4.961 4.640 -0.030 0.000 0.245 122 D C 0.665 176.941 176.300 -0.040 0.000 1.069 122 D CA -1.391 52.589 54.000 -0.033 0.000 0.831 122 D CB 2.452 43.234 40.800 -0.031 0.000 1.204 122 D HN -0.358 7.991 8.370 -0.034 0.000 0.503 123 S N 6.339 122.017 115.700 -0.036 0.000 2.368 123 S HA -0.271 4.171 4.470 -0.046 0.000 0.225 123 S C 0.985 175.568 174.600 -0.029 0.000 1.030 123 S CA 2.817 60.995 58.200 -0.036 0.000 0.999 123 S CB 0.111 63.296 63.200 -0.026 0.000 0.844 123 S HN 0.335 8.626 8.310 -0.032 0.000 0.459 124 L N 0.658 121.865 121.223 -0.027 0.000 2.127 124 L HA 0.011 4.341 4.340 -0.016 0.000 0.203 124 L C 1.124 177.981 176.870 -0.021 0.000 1.080 124 L CA 1.491 56.317 54.840 -0.023 0.000 0.768 124 L CB 0.687 42.726 42.059 -0.032 0.000 0.924 124 L HN -0.362 7.850 8.230 -0.029 0.000 0.444 125 T N -5.825 108.713 114.554 -0.028 0.000 3.107 125 T HA -0.113 4.213 4.350 -0.040 0.000 0.249 125 T C 0.553 175.262 174.700 0.016 0.000 1.096 125 T CA -0.088 61.996 62.100 -0.026 0.000 1.012 125 T CB 1.030 69.870 68.868 -0.046 0.000 0.977 125 T HN -0.547 7.911 8.240 -0.031 -0.237 0.527 126 D N -0.690 119.714 120.400 0.007 0.000 3.028 126 D HA -0.382 4.229 4.640 -0.048 0.000 0.207 126 D C -2.113 174.195 176.300 0.012 0.000 1.100 126 D CA 1.726 55.732 54.000 0.010 0.000 0.995 126 D CB -1.464 39.399 40.800 0.106 0.000 1.108 126 D HN -0.301 8.061 8.370 -0.013 0.000 0.421 127 L N -2.103 119.123 121.223 0.006 0.000 2.322 127 L HA 0.411 4.767 4.340 0.027 0.000 0.279 127 L C -1.545 175.323 176.870 -0.002 0.000 1.036 127 L CA -0.908 53.939 54.840 0.013 0.000 0.807 127 L CB 1.822 43.891 42.059 0.016 0.000 1.226 127 L HN -0.997 7.177 8.230 -0.002 0.054 0.433 128 A N 1.441 124.265 122.820 0.007 0.000 2.413 128 A HA 0.577 4.897 4.320 0.000 0.000 0.307 128 A C -2.261 175.337 177.584 0.025 0.000 1.087 128 A CA -1.839 50.202 52.037 0.007 0.000 0.750 128 A CB 3.814 22.815 19.000 0.001 0.000 1.296 128 A HN 0.220 8.380 8.150 0.016 0.000 0.423 129 V N 1.070 121.004 119.914 0.034 0.000 2.487 129 V HA 0.854 5.220 4.120 0.068 -0.205 0.298 129 V C -1.064 175.081 176.094 0.085 0.000 1.028 129 V CA -1.784 60.555 62.300 0.065 0.000 0.860 129 V CB 2.331 34.193 31.823 0.065 0.000 0.991 129 V HN -0.296 7.911 8.190 0.028 0.000 0.427 130 L N 5.424 126.701 121.223 0.090 0.000 2.332 130 L HA 0.724 5.243 4.340 0.059 -0.144 0.269 130 L C -1.203 175.699 176.870 0.052 0.000 1.016 130 L CA -1.897 52.982 54.840 0.065 0.000 0.809 130 L CB 2.851 44.934 42.059 0.040 0.000 1.280 130 L HN 0.517 8.801 8.230 0.090 0.000 0.447 131 K N 0.850 121.233 120.400 -0.028 0.000 2.541 131 K HA 0.513 4.831 4.320 -0.279 -0.166 0.250 131 K C -1.489 175.005 176.600 -0.177 0.000 0.950 131 K CA -1.424 54.750 56.287 -0.187 0.000 0.805 131 K CB 2.340 34.703 32.500 -0.229 0.000 1.166 131 K HN -0.077 8.163 8.250 -0.016 0.000 0.430 132 I N 1.875 122.298 120.570 -0.245 0.000 2.562 132 I HA 0.559 4.619 4.170 -0.184 0.000 0.301 132 I C -2.013 173.896 176.117 -0.347 0.000 1.003 132 I CA -1.819 59.318 61.300 -0.270 0.000 1.127 132 I CB 2.792 40.578 38.000 -0.357 0.000 1.304 132 I HN -0.017 8.021 8.210 -0.286 0.000 0.446 133 N N 4.597 123.118 118.700 -0.298 0.000 2.485 133 N HA 0.249 4.836 4.740 -0.256 0.000 0.243 133 N C -1.017 174.302 175.510 -0.318 0.000 0.987 133 N CA -0.814 52.085 53.050 -0.252 0.000 0.940 133 N CB -0.189 38.221 38.487 -0.128 0.000 1.122 133 N HN 0.371 8.613 8.380 -0.231 0.000 0.509 134 A N 2.919 125.519 122.820 -0.367 0.000 2.331 134 A HA 0.376 4.554 4.320 -0.236 0.000 0.320 134 A C -0.239 177.291 177.584 -0.091 0.000 1.138 134 A CA -0.778 51.066 52.037 -0.321 0.000 0.790 134 A CB 1.506 20.168 19.000 -0.563 0.000 1.206 134 A HN 0.129 8.082 8.150 -0.327 0.000 0.470 135 T N 3.294 117.861 114.554 0.022 0.000 2.708 135 T HA -0.171 4.184 4.350 0.008 0.000 0.266 135 T C 0.901 175.618 174.700 0.028 0.000 1.037 135 T CA 1.607 63.725 62.100 0.029 0.000 1.146 135 T CB 0.230 69.132 68.868 0.058 0.000 0.865 135 T HN 0.314 8.607 8.240 0.088 0.000 0.435 136 G N 0.457 109.294 108.800 0.062 0.000 2.616 136 G HA2 0.005 3.990 3.960 0.041 0.000 0.268 136 G HA3 0.005 4.011 3.960 0.077 0.000 0.268 136 G C -0.872 174.046 174.900 0.030 0.000 1.213 136 G CA -0.715 44.417 45.100 0.054 0.000 0.926 136 G HN -0.660 7.693 8.290 0.104 0.000 0.523 137 G N -1.509 107.308 108.800 0.027 0.000 2.554 137 G HA2 -0.075 3.887 3.960 0.004 0.000 0.238 137 G HA3 -0.075 3.895 3.960 0.018 0.000 0.238 137 G C -1.890 173.023 174.900 0.022 0.000 1.259 137 G CA -0.390 44.720 45.100 0.016 0.000 0.843 137 G HN 0.120 8.428 8.290 0.030 0.000 0.582 138 L N 2.095 123.322 121.223 0.006 0.000 2.365 138 L HA 0.378 4.737 4.340 0.033 0.000 0.273 138 L C -1.373 175.507 176.870 0.017 0.000 1.000 138 L CA -2.517 52.329 54.840 0.010 0.000 0.819 138 L CB 2.136 44.177 42.059 -0.030 0.000 1.284 138 L HN 0.186 8.415 8.230 -0.002 0.000 0.418 139 P HA 0.073 4.506 4.420 0.021 0.000 0.270 139 P C -1.613 175.698 177.300 0.019 0.000 1.223 139 P CA -0.402 62.713 63.100 0.024 0.000 0.785 139 P CB 0.507 32.226 31.700 0.032 0.000 0.923 140 T N -3.448 111.115 114.554 0.015 0.000 2.916 140 T HA 0.175 4.676 4.350 0.017 -0.141 0.305 140 T C -0.704 174.000 174.700 0.007 0.000 1.119 140 T CA -2.318 59.790 62.100 0.014 0.000 1.008 140 T CB 3.378 72.255 68.868 0.014 0.000 1.129 140 T HN -0.168 8.080 8.240 0.013 0.000 0.480 141 I N 2.980 123.553 120.570 0.006 0.000 2.517 141 I HA 0.157 4.321 4.170 -0.010 0.000 0.285 141 I C -2.088 174.014 176.117 -0.025 0.000 1.106 141 I CA -3.010 58.285 61.300 -0.009 0.000 1.402 141 I CB 1.411 39.407 38.000 -0.007 0.000 1.399 141 I HN -0.117 8.100 8.210 0.012 0.000 0.535 142 P HA 0.025 4.423 4.420 -0.038 0.000 0.265 142 P C -1.751 175.491 177.300 -0.097 0.000 1.222 142 P CA 0.023 63.091 63.100 -0.052 0.000 0.767 142 P CB -0.021 31.649 31.700 -0.050 0.000 0.801 143 I N 3.733 124.252 120.570 -0.086 0.000 2.378 143 I HA 0.120 4.143 4.170 -0.245 0.000 0.291 143 I C -1.081 174.968 176.117 -0.113 0.000 0.992 143 I CA -0.571 60.647 61.300 -0.136 0.000 1.154 143 I CB 2.350 40.325 38.000 -0.042 0.000 1.315 143 I HN -0.092 8.086 8.210 -0.053 0.000 0.448 144 N N 7.330 125.912 118.700 -0.196 0.000 2.626 144 N HA 0.134 4.852 4.740 -0.037 0.000 0.242 144 N C 0.103 175.623 175.510 0.017 0.000 1.005 144 N CA -1.512 51.485 53.050 -0.087 0.000 0.905 144 N CB 0.473 38.903 38.487 -0.096 0.000 1.128 144 N HN 0.275 8.441 8.380 -0.357 0.000 0.512 145 A N 6.361 129.251 122.820 0.117 0.000 1.940 145 A HA -0.302 4.282 4.320 0.439 0.000 0.219 145 A C 0.380 178.090 177.584 0.210 0.000 1.176 145 A CA 2.317 54.498 52.037 0.240 0.000 0.631 145 A CB 0.070 19.150 19.000 0.133 0.000 0.814 145 A HN 0.682 8.879 8.150 0.078 0.000 0.446 146 R N -2.511 118.061 120.500 0.120 0.000 2.359 146 R HA 0.177 4.567 4.340 0.083 0.000 0.231 146 R C -0.013 176.340 176.300 0.088 0.000 0.913 146 R CA -0.748 55.404 56.100 0.087 0.000 1.075 146 R CB -0.218 30.113 30.300 0.052 0.000 1.087 146 R HN -0.578 7.888 8.270 0.089 -0.143 0.515 147 R N 0.899 121.467 120.500 0.113 0.000 2.490 147 R HA -0.083 4.291 4.340 0.057 0.000 0.280 147 R C -0.869 175.499 176.300 0.113 0.000 1.077 147 R CA 0.174 56.324 56.100 0.082 0.000 1.065 147 R CB 0.421 30.731 30.300 0.016 0.000 1.003 147 R HN -0.571 7.724 8.270 0.132 0.053 0.470 148 V N 5.652 125.571 119.914 0.008 0.000 2.326 148 V HA 0.284 4.380 4.120 -0.040 0.000 0.281 148 V C -1.635 174.275 176.094 -0.307 0.000 1.015 148 V CA -3.230 58.998 62.300 -0.119 0.000 0.823 148 V CB 0.990 32.701 31.823 -0.186 0.000 1.009 148 V HN 0.087 8.276 8.190 -0.002 0.000 0.436 149 P HA -0.012 4.376 4.420 -0.053 0.000 0.261 149 P C -1.649 175.502 177.300 -0.248 0.000 1.183 149 P CA -0.017 63.018 63.100 -0.108 0.000 0.761 149 P CB 0.259 31.974 31.700 0.024 0.000 0.785 150 H N 3.488 122.583 119.070 0.043 0.000 2.569 150 H HA 0.242 4.818 4.556 0.033 0.000 0.357 150 H C -0.116 175.227 175.328 0.026 0.000 1.153 150 H CA -1.511 54.556 56.048 0.032 0.000 1.193 150 H CB 3.561 33.338 29.762 0.025 0.000 1.602 150 H HN -0.067 8.521 8.280 0.062 -0.271 0.523 151 I N 1.788 122.458 120.570 0.166 0.000 2.668 151 I HA -0.568 3.777 4.170 0.077 -0.129 0.285 151 I C 1.256 177.419 176.117 0.077 0.000 1.168 151 I CA 2.143 63.499 61.300 0.094 0.000 1.424 151 I CB -0.614 37.430 38.000 0.074 0.000 1.377 151 I HN 0.606 8.928 8.210 0.185 0.000 0.560 152 G N 7.083 115.915 108.800 0.053 0.000 2.218 152 G HA2 -0.341 3.635 3.960 0.026 0.000 0.216 152 G HA3 -0.341 3.640 3.960 0.035 0.000 0.216 152 G C -0.317 174.603 174.900 0.033 0.000 0.994 152 G CA -0.645 44.476 45.100 0.036 0.000 0.637 152 G HN 0.405 8.723 8.290 0.046 0.000 0.505 153 D N 2.293 122.722 120.400 0.047 0.000 2.449 153 D HA -0.048 4.613 4.640 0.035 0.000 0.236 153 D C -0.196 176.096 176.300 -0.014 0.000 1.149 153 D CA 1.609 55.628 54.000 0.030 0.000 0.878 153 D CB 0.807 41.633 40.800 0.044 0.000 1.198 153 D HN -0.598 7.756 8.370 0.068 0.057 0.446 154 V N 0.376 120.261 119.914 -0.048 0.000 2.555 154 V HA -0.006 4.213 4.120 -0.113 -0.167 0.286 154 V C 0.031 176.022 176.094 -0.172 0.000 1.044 154 V CA 0.326 62.545 62.300 -0.135 0.000 1.026 154 V CB 0.231 31.916 31.823 -0.232 0.000 0.981 154 V HN 0.081 8.251 8.190 -0.033 0.000 0.480 155 V N 0.981 120.796 119.914 -0.166 0.000 3.001 155 V HA 0.961 5.151 4.120 -0.143 -0.156 0.314 155 V C -1.514 174.484 176.094 -0.160 0.000 1.099 155 V CA -3.369 58.848 62.300 -0.139 0.000 0.989 155 V CB 3.730 35.510 31.823 -0.071 0.000 1.040 155 V HN 0.092 8.083 8.190 -0.150 0.109 0.434 156 L N 0.317 121.465 121.223 -0.125 0.000 2.356 156 L HA 0.822 5.305 4.340 -0.092 -0.199 0.277 156 L C -1.166 175.675 176.870 -0.050 0.000 0.996 156 L CA -2.027 52.758 54.840 -0.092 0.000 0.822 156 L CB 3.021 45.030 42.059 -0.084 0.000 1.256 156 L HN 0.631 8.796 8.230 -0.109 0.000 0.413 157 A N 3.619 126.418 122.820 -0.035 0.000 2.289 157 A HA 0.618 5.066 4.320 -0.019 -0.139 0.298 157 A C -1.251 176.326 177.584 -0.012 0.000 1.208 157 A CA -1.540 50.484 52.037 -0.021 0.000 0.845 157 A CB 1.651 20.638 19.000 -0.021 0.000 1.125 157 A HN 0.433 8.562 8.150 -0.035 0.000 0.517 158 I N 2.949 123.513 120.570 -0.009 0.000 2.418 158 I HA 0.851 5.224 4.170 -0.001 -0.204 0.287 158 I C -0.563 175.549 176.117 -0.007 0.000 1.008 158 I CA -1.632 59.665 61.300 -0.004 0.000 1.104 158 I CB 1.753 39.752 38.000 -0.001 0.000 1.264 158 I HN 0.138 8.343 8.210 -0.008 0.000 0.438 159 G N 4.903 113.698 108.800 -0.009 0.000 2.490 159 G HA2 0.220 4.165 3.960 -0.024 0.000 0.308 159 G HA3 0.220 4.162 3.960 -0.029 0.000 0.308 159 G C -3.376 171.510 174.900 -0.023 0.000 1.286 159 G CA 0.551 45.637 45.100 -0.023 0.000 0.825 159 G HN -0.292 7.996 8.290 -0.004 0.000 0.479 160 N N 0.411 119.084 118.700 -0.045 0.000 2.844 160 N HA 0.719 5.609 4.740 -0.008 -0.154 0.268 160 N C -2.180 173.300 175.510 -0.051 0.000 1.574 160 N CA -3.580 49.449 53.050 -0.036 0.000 0.838 160 N CB 1.865 40.316 38.487 -0.061 0.000 1.177 160 N HN -0.255 8.088 8.380 -0.062 0.000 0.495 161 P HA 0.071 4.525 4.420 -0.239 -0.177 0.271 161 P C -0.189 177.117 177.300 0.011 0.000 1.220 161 P CA 0.174 63.205 63.100 -0.115 0.000 0.768 161 P CB 0.020 31.698 31.700 -0.038 0.000 0.848 162 Y N -0.008 120.294 120.300 0.003 0.000 4.324 162 Y HA -0.567 3.991 4.550 0.012 0.000 0.224 162 Y C -0.869 175.047 175.900 0.026 0.000 1.113 162 Y CA 0.999 59.106 58.100 0.012 0.000 1.887 162 Y CB -2.633 35.832 38.460 0.008 0.000 1.602 162 Y HN 0.189 8.214 8.280 -0.425 0.000 0.654 163 N N -3.620 115.151 118.700 0.119 0.000 2.714 163 N HA -0.358 4.550 4.740 0.104 -0.105 0.250 163 N C 0.432 176.015 175.510 0.122 0.000 1.117 163 N CA 1.144 54.268 53.050 0.124 0.000 0.719 163 N CB -0.726 37.852 38.487 0.153 0.000 1.081 163 N HN -0.427 7.941 8.380 0.058 0.047 0.557 164 L N -2.586 118.707 121.223 0.117 0.000 2.395 164 L HA -0.106 4.286 4.340 0.085 0.000 0.218 164 L C 1.062 177.976 176.870 0.074 0.000 1.130 164 L CA 1.085 55.981 54.840 0.093 0.000 0.826 164 L CB 0.129 42.246 42.059 0.097 0.000 0.941 164 L HN -0.565 7.717 8.230 0.126 0.024 0.451 165 G N -3.240 105.605 108.800 0.074 0.000 2.479 165 G HA2 -0.272 3.733 3.960 0.074 0.000 0.686 165 G HA3 -0.272 3.723 3.960 0.058 0.000 0.686 165 G C -2.292 172.636 174.900 0.046 0.000 1.295 165 G CA -0.914 44.224 45.100 0.063 0.000 0.922 165 G HN -0.466 8.125 8.290 0.078 -0.253 0.582 166 Q N 1.418 121.241 119.800 0.039 0.000 2.315 166 Q HA -0.032 4.507 4.340 0.019 -0.187 0.289 166 Q C -0.267 175.749 176.000 0.028 0.000 1.044 166 Q CA 1.326 57.145 55.803 0.027 0.000 0.920 166 Q CB 0.642 29.396 28.738 0.026 0.000 1.214 166 Q HN 0.328 8.623 8.270 0.042 0.000 0.392 167 T N 8.445 123.012 114.554 0.023 0.000 2.893 167 T HA 0.258 4.627 4.350 0.030 0.000 0.293 167 T C -1.901 172.811 174.700 0.020 0.000 1.027 167 T CA -0.865 61.251 62.100 0.027 0.000 0.988 167 T CB 2.205 71.093 68.868 0.033 0.000 1.043 167 T HN 0.424 8.674 8.240 0.016 0.000 0.461 168 I N 3.771 124.355 120.570 0.024 0.000 2.378 168 I HA 0.803 5.189 4.170 0.013 -0.208 0.291 168 I C 0.065 176.196 176.117 0.023 0.000 0.992 168 I CA -2.526 58.787 61.300 0.021 0.000 1.154 168 I CB 1.006 39.024 38.000 0.031 0.000 1.315 168 I HN 0.303 8.531 8.210 0.029 0.000 0.448 169 T N 4.474 119.034 114.554 0.011 0.000 2.924 169 T HA 0.365 4.727 4.350 0.020 0.000 0.291 169 T C -1.853 172.842 174.700 -0.007 0.000 1.045 169 T CA -1.999 60.106 62.100 0.009 0.000 1.015 169 T CB 2.355 71.226 68.868 0.004 0.000 1.103 169 T HN 0.084 8.326 8.240 0.002 0.000 0.496 170 Q N 4.159 123.957 119.800 -0.004 0.000 2.375 170 Q HA 0.774 5.242 4.340 -0.072 -0.171 0.271 170 Q C -1.093 174.887 176.000 -0.033 0.000 1.074 170 Q CA -1.160 54.623 55.803 -0.034 0.000 0.808 170 Q CB 3.641 32.383 28.738 0.007 0.000 1.327 170 Q HN 0.042 8.317 8.270 0.009 0.000 0.441 171 G N 3.629 112.391 108.800 -0.063 0.000 2.694 171 G HA2 0.693 4.637 3.960 -0.027 0.000 0.246 171 G HA3 0.693 4.714 3.960 -0.041 -0.085 0.246 171 G C -2.561 172.304 174.900 -0.058 0.000 1.205 171 G CA 0.552 45.625 45.100 -0.045 0.000 0.891 171 G HN 0.255 8.486 8.290 -0.097 0.000 0.515 172 I N -5.699 114.847 120.570 -0.040 0.000 3.279 172 I HA 0.978 5.293 4.170 -0.043 -0.171 0.315 172 I C -1.603 174.501 176.117 -0.020 0.000 1.187 172 I CA -2.587 58.694 61.300 -0.031 0.000 0.953 172 I CB 4.571 42.563 38.000 -0.012 0.000 1.279 172 I HN 0.581 9.088 8.210 -0.036 -0.319 0.465 173 I N 0.925 121.494 120.570 -0.002 0.000 2.363 173 I HA 0.159 4.474 4.170 0.007 -0.141 0.292 173 I C 0.523 176.651 176.117 0.018 0.000 1.075 173 I CA 0.226 61.534 61.300 0.014 0.000 1.333 173 I CB -0.578 37.443 38.000 0.034 0.000 1.415 173 I HN -0.180 8.032 8.210 0.003 0.000 0.502 174 S N 9.205 124.909 115.700 0.007 0.000 2.470 174 S HA -0.062 4.414 4.470 0.010 0.000 0.225 174 S C -0.843 173.776 174.600 0.032 0.000 1.006 174 S CA 1.329 59.534 58.200 0.009 0.000 0.934 174 S CB 0.421 63.610 63.200 -0.018 0.000 0.778 174 S HN 0.748 8.941 8.310 -0.005 0.115 0.517 175 A N -2.339 120.511 122.820 0.050 0.000 2.594 175 A HA 0.310 4.667 4.320 0.062 0.000 0.296 175 A C -1.867 175.767 177.584 0.084 0.000 1.056 175 A CA 0.071 52.150 52.037 0.070 0.000 0.693 175 A CB 1.751 20.803 19.000 0.088 0.000 1.278 175 A HN -0.876 7.273 8.150 0.049 0.030 0.408 176 T N -2.755 111.843 114.554 0.073 0.000 3.069 176 T HA -0.008 4.383 4.350 0.068 0.000 0.252 176 T C -0.143 174.593 174.700 0.061 0.000 1.053 176 T CA -0.304 61.834 62.100 0.062 0.000 0.964 176 T CB 0.788 69.680 68.868 0.039 0.000 1.005 176 T HN 0.284 8.564 8.240 0.066 0.000 0.532 177 G N 0.086 108.931 108.800 0.076 0.000 2.359 177 G HA2 -0.041 4.111 3.960 0.096 0.000 0.293 177 G HA3 -0.041 3.940 3.960 0.036 0.000 0.293 177 G C -2.202 172.732 174.900 0.057 0.000 1.300 177 G CA -0.334 44.806 45.100 0.066 0.000 0.888 177 G HN -0.641 7.654 8.290 0.083 0.045 0.541 178 R N -1.586 118.937 120.500 0.039 0.000 2.744 178 R HA 0.395 4.754 4.340 0.032 0.000 0.279 178 R C -0.808 175.498 176.300 0.008 0.000 0.977 178 R CA -1.937 54.181 56.100 0.028 0.000 0.906 178 R CB 2.442 32.761 30.300 0.032 0.000 1.197 178 R HN -0.146 8.141 8.270 0.028 0.000 0.463 179 I N 0.586 121.160 120.570 0.007 0.000 3.081 179 I HA 0.125 4.291 4.170 -0.006 0.000 0.274 179 I C 0.049 176.163 176.117 -0.004 0.000 1.178 179 I CA 0.113 61.412 61.300 -0.001 0.000 1.460 179 I CB 0.537 38.538 38.000 0.001 0.000 1.137 179 I HN -0.096 8.120 8.210 0.010 0.000 0.443 180 G N -1.485 107.314 108.800 -0.002 0.000 2.491 180 G HA2 0.200 4.156 3.960 -0.007 0.000 0.327 180 G HA3 0.200 4.158 3.960 -0.003 0.000 0.327 180 G C -1.558 173.337 174.900 -0.008 0.000 1.189 180 G CA -0.856 44.241 45.100 -0.005 0.000 0.956 180 G HN -0.598 7.693 8.290 0.002 0.000 0.491 181 L N -1.429 119.788 121.223 -0.011 0.000 2.483 181 L HA -0.127 4.203 4.340 -0.017 0.000 0.276 181 L C -0.235 176.624 176.870 -0.017 0.000 1.213 181 L CA 0.785 55.616 54.840 -0.015 0.000 0.843 181 L CB -0.061 41.989 42.059 -0.015 0.000 1.107 181 L HN 0.069 8.293 8.230 -0.010 0.000 0.487 182 N N 1.361 120.045 118.700 -0.026 0.000 2.927 182 N HA 0.244 4.963 4.740 -0.034 0.000 0.248 182 N C -1.864 173.607 175.510 -0.065 0.000 1.443 182 N CA -0.898 52.130 53.050 -0.037 0.000 0.870 182 N CB 0.114 38.585 38.487 -0.027 0.000 1.444 182 N HN -0.410 7.953 8.380 -0.028 0.000 0.519 183 P HA -0.129 4.227 4.420 -0.107 0.000 0.221 183 P C -0.116 177.073 177.300 -0.185 0.000 1.145 183 P CA 1.988 65.004 63.100 -0.140 0.000 0.795 183 P CB 0.119 31.698 31.700 -0.202 0.000 0.775 184 T N -7.253 107.172 114.554 -0.214 0.000 3.043 184 T HA -0.099 4.045 4.350 -0.344 0.000 0.263 184 T C 1.679 176.325 174.700 -0.090 0.000 1.094 184 T CA 0.322 62.257 62.100 -0.275 0.000 1.127 184 T CB 0.852 69.445 68.868 -0.458 0.000 0.905 184 T HN -0.201 8.231 8.240 -0.184 -0.303 0.490 185 G N 1.841 110.610 108.800 -0.051 0.000 2.225 185 G HA2 -0.419 3.526 3.960 -0.026 0.000 0.254 185 G HA3 -0.419 3.533 3.960 -0.014 0.000 0.254 185 G C -0.689 174.209 174.900 -0.003 0.000 0.988 185 G CA -0.123 44.965 45.100 -0.019 0.000 0.625 185 G HN -0.211 8.041 8.290 -0.063 0.000 0.527 186 R N -1.538 118.980 120.500 0.030 0.000 2.875 186 R HA 0.361 4.669 4.340 -0.054 0.000 0.251 186 R C -1.274 175.009 176.300 -0.028 0.000 1.123 186 R CA -2.211 53.874 56.100 -0.025 0.000 1.064 186 R CB 1.661 31.891 30.300 -0.117 0.000 1.205 186 R HN -0.704 7.527 8.270 0.069 0.080 0.503 187 Q N -2.877 116.869 119.800 -0.089 0.000 2.189 187 Q HA 0.175 4.503 4.340 -0.020 0.000 0.223 187 Q C 0.268 176.221 176.000 -0.079 0.000 0.828 187 Q CA 0.321 56.090 55.803 -0.057 0.000 0.967 187 Q CB 1.041 29.746 28.738 -0.055 0.000 1.139 187 Q HN 0.422 8.612 8.270 -0.134 0.000 0.497 188 N N -0.555 118.035 118.700 -0.183 0.000 2.250 188 N HA 0.025 4.689 4.740 -0.127 0.000 0.190 188 N C -1.089 174.333 175.510 -0.146 0.000 1.116 188 N CA -0.193 52.735 53.050 -0.203 0.000 0.881 188 N CB 0.352 38.660 38.487 -0.298 0.000 1.006 188 N HN -0.126 8.087 8.380 -0.277 0.000 0.491 189 F N -0.662 119.288 119.950 0.000 0.000 2.538 189 F HA -0.138 4.545 4.527 0.057 -0.121 0.371 189 F C 0.306 176.171 175.800 0.109 0.000 1.087 189 F CA 1.054 59.090 58.000 0.059 0.000 1.250 189 F CB -0.022 39.008 39.000 0.049 0.000 1.110 189 F HN -0.548 7.721 8.300 -0.052 0.000 0.570 190 L N 2.563 123.983 121.223 0.329 0.000 2.416 190 L HA 0.081 4.710 4.340 0.180 -0.180 0.272 190 L C -0.566 176.456 176.870 0.254 0.000 1.161 190 L CA -0.222 54.755 54.840 0.227 0.000 0.845 190 L CB 0.433 42.589 42.059 0.162 0.000 1.119 190 L HN 0.142 8.564 8.230 0.321 0.000 0.464 191 Q N 3.537 123.428 119.800 0.151 0.000 2.306 191 Q HA 0.893 5.382 4.340 -0.073 -0.192 0.265 191 Q C -1.061 174.907 176.000 -0.053 0.000 1.022 191 Q CA -1.714 54.093 55.803 0.005 0.000 0.853 191 Q CB 3.874 32.619 28.738 0.013 0.000 1.327 191 Q HN 0.151 8.498 8.270 0.129 0.000 0.449 192 T N 3.570 118.040 114.554 -0.141 0.000 2.932 192 T HA 0.634 5.102 4.350 -0.063 -0.156 0.318 192 T C -1.707 172.922 174.700 -0.119 0.000 1.265 192 T CA -2.398 59.646 62.100 -0.093 0.000 1.036 192 T CB 1.517 70.349 68.868 -0.059 0.000 1.209 192 T HN 0.395 8.488 8.240 -0.244 0.000 0.484 193 D N 4.372 124.726 120.400 -0.077 0.000 2.358 193 D HA 0.132 4.767 4.640 -0.084 -0.046 0.224 193 D C 0.060 176.330 176.300 -0.051 0.000 1.123 193 D CA -1.776 52.184 54.000 -0.067 0.000 0.833 193 D CB -0.513 40.261 40.800 -0.044 0.000 0.946 193 D HN 0.006 8.340 8.370 -0.059 0.000 0.505 194 A N 1.275 124.063 122.820 -0.054 0.000 2.491 194 A HA -0.146 4.154 4.320 -0.033 0.000 0.261 194 A C -0.559 177.002 177.584 -0.039 0.000 1.101 194 A CA 0.727 52.739 52.037 -0.042 0.000 0.772 194 A CB 0.312 19.285 19.000 -0.044 0.000 1.043 194 A HN -0.685 7.365 8.150 -0.060 0.064 0.501 195 S N 2.488 118.175 115.700 -0.023 0.000 2.596 195 S HA -0.163 4.295 4.470 -0.021 0.000 0.298 195 S C -0.889 173.699 174.600 -0.019 0.000 1.255 195 S CA 0.510 58.700 58.200 -0.015 0.000 1.083 195 S CB 0.229 63.432 63.200 0.005 0.000 0.837 195 S HN 0.244 8.545 8.310 -0.016 0.000 0.499 196 I N 5.676 126.227 120.570 -0.030 0.000 2.465 196 I HA 0.162 4.460 4.170 -0.039 -0.151 0.291 196 I C -0.989 175.098 176.117 -0.050 0.000 1.014 196 I CA -1.360 59.916 61.300 -0.041 0.000 1.093 196 I CB 2.176 40.146 38.000 -0.050 0.000 1.267 196 I HN 0.022 8.211 8.210 -0.034 0.000 0.431 197 N N 6.763 125.411 118.700 -0.087 0.000 2.509 197 N HA 0.489 5.156 4.740 -0.122 0.000 0.280 197 N C -3.174 172.165 175.510 -0.284 0.000 1.306 197 N CA -2.278 50.669 53.050 -0.173 0.000 0.782 197 N CB 2.209 40.587 38.487 -0.182 0.000 1.493 197 N HN 0.428 9.077 8.380 -0.092 -0.324 0.498 198 P HA -0.148 4.139 4.420 -0.222 0.000 0.260 198 P C -0.493 176.583 177.300 -0.373 0.000 1.185 198 P CA 1.473 64.362 63.100 -0.351 0.000 0.763 198 P CB -0.244 31.238 31.700 -0.363 0.000 0.776 199 G N 3.245 111.918 108.800 -0.211 0.000 2.278 199 G HA2 -0.385 3.492 3.960 -0.137 0.000 0.210 199 G HA3 -0.385 3.592 3.960 -0.189 -0.131 0.210 199 G C 1.043 175.869 174.900 -0.124 0.000 1.000 199 G CA 0.738 45.738 45.100 -0.166 0.000 0.635 199 G HN 0.469 8.661 8.290 -0.163 0.000 0.495 200 N N 0.917 119.546 118.700 -0.118 0.000 2.459 200 N HA -0.154 4.548 4.740 -0.064 0.000 0.181 200 N C 0.059 175.543 175.510 -0.044 0.000 1.046 200 N CA 1.575 54.581 53.050 -0.072 0.000 0.904 200 N CB 0.783 39.230 38.487 -0.065 0.000 0.964 200 N HN 0.012 8.245 8.380 -0.145 0.060 0.444 201 S N -1.530 114.144 115.700 -0.042 0.000 2.552 201 S HA -0.469 4.007 4.470 0.010 0.000 0.289 201 S C 0.574 175.175 174.600 0.002 0.000 1.304 201 S CA 2.753 60.950 58.200 -0.005 0.000 1.063 201 S CB 0.045 63.247 63.200 0.004 0.000 0.848 201 S HN -0.479 7.753 8.310 -0.061 0.042 0.499 202 G N 4.306 113.122 108.800 0.027 0.000 2.225 202 G HA2 -0.449 3.536 3.960 0.042 0.000 0.254 202 G HA3 -0.449 3.696 3.960 0.017 -0.175 0.254 202 G C -0.091 174.821 174.900 0.019 0.000 0.988 202 G CA 0.078 45.194 45.100 0.027 0.000 0.625 202 G HN 0.644 8.959 8.290 0.042 0.000 0.527 203 G N 0.566 109.371 108.800 0.009 0.000 2.611 203 G HA2 0.172 4.133 3.960 0.002 0.000 0.273 203 G HA3 0.172 4.271 3.960 -0.004 -0.141 0.273 203 G C -2.141 172.770 174.900 0.018 0.000 1.305 203 G CA -1.018 44.085 45.100 0.005 0.000 1.010 203 G HN -0.463 7.755 8.290 0.004 0.075 0.509 204 A N -2.249 120.578 122.820 0.012 0.000 2.303 204 A HA 0.406 4.740 4.320 0.025 0.000 0.317 204 A C -2.166 175.423 177.584 0.008 0.000 1.149 204 A CA -1.325 50.720 52.037 0.014 0.000 0.822 204 A CB 2.628 21.630 19.000 0.004 0.000 1.131 204 A HN -0.244 7.909 8.150 0.006 0.000 0.493 205 L N 3.795 125.025 121.223 0.013 0.000 2.342 205 L HA 0.824 5.333 4.340 -0.009 -0.175 0.276 205 L C -1.886 174.974 176.870 -0.018 0.000 0.997 205 L CA -1.084 53.757 54.840 0.002 0.000 0.838 205 L CB 2.959 45.032 42.059 0.024 0.000 1.224 205 L HN 0.038 8.282 8.230 0.023 0.000 0.416 206 V N 1.923 121.813 119.914 -0.040 0.000 3.019 206 V HA 0.997 5.239 4.120 -0.073 -0.166 0.317 206 V C -1.498 174.550 176.094 -0.076 0.000 1.094 206 V CA -3.830 58.432 62.300 -0.062 0.000 1.000 206 V CB 3.526 35.315 31.823 -0.058 0.000 1.060 206 V HN 0.377 8.543 8.190 -0.041 0.000 0.443 207 N N 0.461 119.112 118.700 -0.081 0.000 2.495 207 N HA 0.576 5.426 4.740 -0.104 -0.172 0.294 207 N C 1.895 177.353 175.510 -0.087 0.000 1.276 207 N CA -1.910 51.088 53.050 -0.086 0.000 0.973 207 N CB 1.192 39.644 38.487 -0.059 0.000 1.143 207 N HN -0.172 8.156 8.380 -0.086 0.000 0.589 208 S N -0.804 114.847 115.700 -0.082 0.000 2.493 208 S HA -0.209 4.221 4.470 -0.066 0.000 0.243 208 S C 0.737 175.354 174.600 0.029 0.000 0.991 208 S CA 2.606 60.791 58.200 -0.026 0.000 0.957 208 S CB -0.698 62.533 63.200 0.052 0.000 0.756 208 S HN 0.413 8.677 8.310 -0.077 0.000 0.521 209 L N -2.763 118.459 121.223 -0.001 0.000 2.640 209 L HA 0.212 4.564 4.340 0.020 0.000 0.230 209 L C 0.517 177.379 176.870 -0.013 0.000 1.123 209 L CA -0.286 54.555 54.840 0.002 0.000 0.900 209 L CB 0.137 42.191 42.059 -0.007 0.000 1.146 209 L HN -0.606 7.829 8.230 -0.021 -0.218 0.484 210 G N -1.716 107.069 108.800 -0.026 0.000 2.157 210 G HA2 -0.479 3.463 3.960 -0.030 0.000 0.248 210 G HA3 -0.479 3.468 3.960 -0.022 0.000 0.248 210 G C -0.578 174.284 174.900 -0.063 0.000 0.979 210 G CA 0.038 45.119 45.100 -0.033 0.000 0.650 210 G HN -0.128 8.094 8.290 -0.030 0.049 0.529 211 E N -0.038 120.109 120.200 -0.089 0.000 2.289 211 E HA 0.007 4.451 4.350 -0.150 -0.184 0.278 211 E C -0.599 175.882 176.600 -0.198 0.000 1.032 211 E CA -0.714 55.593 56.400 -0.154 0.000 0.854 211 E CB 1.177 30.773 29.700 -0.173 0.000 1.046 211 E HN -0.779 7.687 8.360 -0.079 -0.153 0.409 212 L N 5.123 126.193 121.223 -0.256 0.000 2.462 212 L HA -0.209 4.049 4.340 -0.137 0.000 0.272 212 L C -0.970 175.681 176.870 -0.366 0.000 1.166 212 L CA 1.337 56.036 54.840 -0.236 0.000 0.880 212 L CB 0.317 42.266 42.059 -0.183 0.000 1.142 212 L HN -0.067 8.007 8.230 -0.260 0.000 0.473 213 M N 3.997 123.529 119.600 -0.114 0.000 2.615 213 M HA 0.181 4.682 4.480 0.034 0.000 0.262 213 M C 0.043 176.494 176.300 0.251 0.000 1.198 213 M CA 0.102 55.433 55.300 0.050 0.000 1.165 213 M CB 1.730 34.352 32.600 0.037 0.000 1.310 213 M HN 0.761 8.908 8.290 -0.061 0.106 0.494 214 G N -3.898 104.996 108.800 0.157 0.000 2.451 214 G HA2 0.276 4.419 3.960 0.224 0.000 0.292 214 G HA3 0.276 4.375 3.960 0.167 -0.039 0.292 214 G C -3.015 171.956 174.900 0.120 0.000 1.427 214 G CA 0.367 45.572 45.100 0.175 0.000 0.792 214 G HN -0.580 7.765 8.290 0.091 0.000 0.498 215 I N -1.042 119.602 120.570 0.123 0.000 2.315 215 I HA 0.461 4.824 4.170 0.079 -0.146 0.291 215 I C -0.587 175.596 176.117 0.110 0.000 1.006 215 I CA -3.433 57.927 61.300 0.099 0.000 1.265 215 I CB -0.218 37.837 38.000 0.093 0.000 1.387 215 I HN 0.036 8.326 8.210 0.134 0.000 0.475 216 N N 8.340 127.088 118.700 0.080 0.000 2.492 216 N HA 0.095 5.017 4.740 0.092 -0.128 0.262 216 N C 0.302 175.861 175.510 0.083 0.000 1.202 216 N CA 0.878 53.973 53.050 0.075 0.000 0.926 216 N CB 0.899 39.406 38.487 0.034 0.000 1.078 216 N HN -0.037 8.380 8.380 0.061 0.000 0.454 217 T N 0.210 114.823 114.554 0.098 0.000 2.735 217 T HA 0.359 4.763 4.350 0.089 0.000 0.262 217 T C -0.417 174.316 174.700 0.054 0.000 0.955 217 T CA -2.085 60.071 62.100 0.092 0.000 1.022 217 T CB 2.049 70.993 68.868 0.128 0.000 1.455 217 T HN -0.099 8.206 8.240 0.108 0.000 0.583 218 L N 1.048 122.296 121.223 0.040 0.000 2.453 218 L HA 0.035 4.372 4.340 -0.004 0.000 0.272 218 L C 1.093 178.004 176.870 0.068 0.000 1.182 218 L CA 0.713 55.562 54.840 0.015 0.000 0.858 218 L CB 0.074 42.117 42.059 -0.027 0.000 1.120 218 L HN 0.366 8.625 8.230 0.048 0.000 0.474 219 S N 2.745 118.476 115.700 0.051 0.000 2.632 219 S HA -0.000 4.546 4.470 0.127 0.000 0.267 219 S C -0.881 173.837 174.600 0.196 0.000 1.193 219 S CA -0.765 57.488 58.200 0.089 0.000 1.003 219 S CB 0.875 64.066 63.200 -0.015 0.000 1.073 219 S HN -0.338 7.979 8.310 0.011 0.000 0.553 227 E N 2.990 123.149 120.200 -0.068 0.000 2.081 227 E HA 0.089 4.388 4.350 -0.085 0.000 0.281 227 E C -0.228 176.318 176.600 -0.089 0.000 0.986 227 E CA -0.445 55.912 56.400 -0.072 0.000 0.796 227 E CB 0.674 30.358 29.700 -0.026 0.000 1.085 227 E HN 0.088 8.438 8.360 -0.015 0.000 0.398 228 T N 5.266 119.749 114.554 -0.119 0.000 3.782 228 T HA -0.162 4.129 4.350 -0.098 0.000 0.383 228 T C -1.644 173.004 174.700 -0.087 0.000 0.762 228 T CA -0.216 61.828 62.100 -0.092 0.000 2.005 228 T CB -1.145 67.694 68.868 -0.049 0.000 1.765 228 T HN 0.265 8.422 8.240 -0.138 0.000 0.774 229 P HA -0.033 4.380 4.420 -0.010 0.000 0.272 229 P C -1.438 175.837 177.300 -0.042 0.000 1.223 229 P CA 0.226 63.280 63.100 -0.077 0.000 0.784 229 P CB 0.876 32.474 31.700 -0.170 0.000 0.923 230 E N 0.949 121.146 120.200 -0.005 0.000 2.263 230 E HA 0.052 4.390 4.350 -0.020 0.000 0.268 230 E C -0.074 176.519 176.600 -0.012 0.000 0.884 230 E CA -0.282 56.111 56.400 -0.011 0.000 0.766 230 E CB 1.238 30.934 29.700 -0.007 0.000 1.196 230 E HN 0.096 8.467 8.360 0.017 0.000 0.416 231 G N 3.500 112.285 108.800 -0.026 0.000 2.314 231 G HA2 -0.368 3.564 3.960 -0.045 0.000 0.292 231 G HA3 -0.368 3.572 3.960 -0.032 0.000 0.292 231 G C -1.383 173.475 174.900 -0.071 0.000 1.059 231 G CA 0.535 45.611 45.100 -0.041 0.000 0.982 231 G HN 0.490 8.765 8.290 -0.026 0.000 0.505 232 I N -0.532 119.982 120.570 -0.094 0.000 2.497 232 I HA 0.039 4.063 4.170 -0.244 0.000 0.284 232 I C -1.762 174.163 176.117 -0.319 0.000 1.060 232 I CA -0.670 60.513 61.300 -0.195 0.000 1.071 232 I CB 2.079 40.039 38.000 -0.066 0.000 1.216 232 I HN -0.609 7.557 8.210 -0.073 0.000 0.442 233 G N 4.715 113.216 108.800 -0.497 0.000 2.660 233 G HA2 0.392 4.113 3.960 -0.398 0.000 0.294 233 G HA3 0.392 4.197 3.960 -0.258 0.000 0.294 233 G C -2.610 171.889 174.900 -0.669 0.000 1.369 233 G CA -1.115 43.709 45.100 -0.461 0.000 0.912 233 G HN -0.051 7.944 8.290 -0.492 0.000 0.479 234 F N -1.714 118.187 119.950 -0.082 0.000 2.546 234 F HA 0.967 5.657 4.527 -0.057 -0.197 0.320 234 F C -1.401 174.390 175.800 -0.015 0.000 1.076 234 F CA -2.021 55.907 58.000 -0.119 0.000 0.928 234 F CB 4.719 43.455 39.000 -0.441 0.000 1.189 234 F HN -0.036 8.233 8.300 -0.052 0.000 0.465 235 A N -0.102 122.905 122.820 0.312 0.000 2.486 235 A HA 0.735 5.340 4.320 0.250 -0.135 0.300 235 A C -2.051 175.761 177.584 0.379 0.000 1.048 235 A CA -1.764 50.440 52.037 0.279 0.000 0.696 235 A CB 3.823 22.922 19.000 0.166 0.000 1.278 235 A HN 0.701 9.078 8.150 0.378 0.000 0.405 236 I N 1.021 121.772 120.570 0.301 0.000 2.556 236 I HA 0.111 4.355 4.170 0.124 0.000 0.284 236 I C -1.761 174.421 176.117 0.108 0.000 1.114 236 I CA -3.629 57.771 61.300 0.167 0.000 1.418 236 I CB -0.446 37.619 38.000 0.108 0.000 1.394 236 I HN 0.084 8.454 8.210 0.267 0.000 0.552 237 P HA 0.131 4.752 4.420 0.100 -0.141 0.268 237 P C 1.068 178.359 177.300 -0.015 0.000 1.205 237 P CA -0.305 62.804 63.100 0.015 0.000 0.771 237 P CB 0.185 31.827 31.700 -0.098 0.000 0.858 238 F N 3.179 123.126 119.950 -0.005 0.000 2.216 238 F HA -0.361 4.165 4.527 -0.002 0.000 0.300 238 F C 1.134 176.923 175.800 -0.018 0.000 1.085 238 F CA 3.968 61.964 58.000 -0.008 0.000 1.326 238 F CB -0.728 38.269 39.000 -0.007 0.000 1.027 238 F HN -0.405 8.115 8.300 0.368 0.000 0.497 239 Q N 0.347 119.596 119.800 -0.919 0.000 2.030 239 Q HA -0.415 3.615 4.340 -0.516 0.000 0.204 239 Q C 2.201 178.042 176.000 -0.266 0.000 0.986 239 Q CA 3.320 58.759 55.803 -0.607 0.000 0.843 239 Q CB -1.182 27.182 28.738 -0.623 0.000 0.904 239 Q HN 0.083 7.542 8.270 -1.328 0.014 0.420 240 L N -1.165 119.920 121.223 -0.230 0.000 2.017 240 L HA -0.332 3.925 4.340 -0.139 0.000 0.208 240 L C 1.302 178.117 176.870 -0.090 0.000 1.073 240 L CA 2.812 57.565 54.840 -0.145 0.000 0.745 240 L CB -0.606 41.365 42.059 -0.147 0.000 0.894 240 L HN -0.676 7.392 8.230 -0.269 0.000 0.432 241 A N -2.647 120.140 122.820 -0.056 0.000 1.933 241 A HA -0.372 3.939 4.320 -0.014 0.000 0.218 241 A C 2.120 179.702 177.584 -0.003 0.000 1.175 241 A CA 3.264 55.296 52.037 -0.007 0.000 0.628 241 A CB -0.923 18.103 19.000 0.043 0.000 0.814 241 A HN -0.159 7.955 8.150 -0.059 0.000 0.444 242 T N 0.487 115.043 114.554 0.003 0.000 2.777 242 T HA -0.441 3.920 4.350 0.018 0.000 0.266 242 T C 1.991 176.674 174.700 -0.029 0.000 1.040 242 T CA 5.169 67.273 62.100 0.007 0.000 1.141 242 T CB -0.114 68.776 68.868 0.037 0.000 0.868 242 T HN -0.090 8.149 8.240 -0.001 0.000 0.444 243 K N 1.678 122.048 120.400 -0.050 0.000 2.032 243 K HA -0.337 3.950 4.320 -0.055 0.000 0.209 243 K C 2.396 178.962 176.600 -0.056 0.000 1.048 243 K CA 3.610 59.862 56.287 -0.058 0.000 0.927 243 K CB -0.254 32.204 32.500 -0.071 0.000 0.712 243 K HN -0.712 7.501 8.250 -0.062 0.000 0.441 244 I N -0.620 119.919 120.570 -0.052 0.000 2.163 244 I HA -0.431 3.709 4.170 -0.050 0.000 0.243 244 I C 1.936 178.025 176.117 -0.048 0.000 1.085 244 I CA 2.069 63.341 61.300 -0.047 0.000 1.347 244 I CB -1.057 36.920 38.000 -0.040 0.000 1.044 244 I HN -0.243 7.935 8.210 -0.053 0.000 0.408 245 M N 1.394 120.968 119.600 -0.044 0.000 2.108 245 M HA -0.546 3.906 4.480 -0.047 0.000 0.261 245 M C 1.581 177.819 176.300 -0.103 0.000 1.066 245 M CA 4.665 59.931 55.300 -0.057 0.000 1.107 245 M CB -0.261 32.316 32.600 -0.040 0.000 1.356 245 M HN -0.220 8.049 8.290 -0.035 0.000 0.406 246 D N -0.471 119.871 120.400 -0.097 0.000 2.117 246 D HA -0.318 4.227 4.640 -0.158 0.000 0.197 246 D C 2.258 178.497 176.300 -0.102 0.000 0.987 246 D CA 3.605 57.535 54.000 -0.115 0.000 0.829 246 D CB -0.739 40.010 40.800 -0.084 0.000 0.961 246 D HN -0.401 7.923 8.370 -0.076 0.000 0.460 247 K N 0.696 121.050 120.400 -0.075 0.000 2.097 247 K HA -0.276 4.008 4.320 -0.060 0.000 0.206 247 K C 2.237 178.800 176.600 -0.061 0.000 1.049 247 K CA 3.067 59.317 56.287 -0.062 0.000 0.933 247 K CB -0.134 32.335 32.500 -0.051 0.000 0.717 247 K HN -0.639 7.570 8.250 -0.069 0.000 0.442 248 L N -3.128 118.056 121.223 -0.064 0.000 2.046 248 L HA -0.267 4.050 4.340 -0.038 0.000 0.208 248 L C 2.007 178.839 176.870 -0.064 0.000 1.077 248 L CA 2.486 57.296 54.840 -0.051 0.000 0.747 248 L CB -0.141 41.894 42.059 -0.039 0.000 0.896 248 L HN -0.460 7.730 8.230 -0.066 0.000 0.432 249 I N -2.778 117.719 120.570 -0.122 0.000 2.163 249 I HA -0.419 3.667 4.170 -0.141 0.000 0.243 249 I C 1.689 177.749 176.117 -0.094 0.000 1.085 249 I CA 2.589 63.788 61.300 -0.168 0.000 1.347 249 I CB 0.046 37.842 38.000 -0.341 0.000 1.044 249 I HN -0.448 7.675 8.210 -0.145 0.000 0.408 250 R N -0.742 119.707 120.500 -0.085 0.000 2.105 250 R HA -0.253 4.057 4.340 -0.051 0.000 0.239 250 R C 0.645 176.924 176.300 -0.035 0.000 1.135 250 R CA 2.482 58.549 56.100 -0.055 0.000 0.967 250 R CB 0.453 30.722 30.300 -0.052 0.000 0.861 250 R HN -0.424 7.788 8.270 -0.096 0.000 0.442 251 D N 0.000 120.380 120.400 -0.033 0.000 6.856 251 D HA 0.000 4.629 4.640 -0.018 0.000 0.175 251 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 251 D CB 0.000 40.787 40.800 -0.022 0.000 0.688 251 D HN 0.000 8.249 8.370 -0.040 0.097 0.683