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 2ws3_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRLEFSIYRY NPDVDDAPRM QDYTLEADEG RDMMLLDALI QLKEKDPSLS DATA SEQUENCE FRRSCREGVC GSDGLNMNGK NGLACITPIS ALNQPGKKIV IRPLPGLPVI DATA SEQUENCE RDLVVDMGQF YAQYEKIKPY LLNNGQNPPA REHLQMPEQR EKLDGLYECI DATA SEQUENCE LCACCSTSCP SFWWNPDKFI GPAGLLAAYR FLIDSRDTET DSRLDGLSDA DATA SEQUENCE FSVFRCHSIM NCVSVCPKGL NPTRAIGHIK SMLLQRNA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.299 176.300 -0.002 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.007 0.000 1.302 2 R N 2.088 122.581 120.500 -0.012 0.000 2.312 2 R HA 0.848 5.189 4.340 0.002 0.000 0.311 2 R C -1.682 174.586 176.300 -0.053 0.000 1.004 2 R CA -0.460 55.631 56.100 -0.015 0.000 0.902 2 R CB 1.144 31.437 30.300 -0.012 0.000 1.073 2 R HN 0.818 9.088 8.270 -0.000 0.000 0.457 3 L N 3.255 124.435 121.223 -0.071 0.000 2.346 3 L HA 0.472 4.813 4.340 0.002 0.000 0.276 3 L C -0.460 176.232 176.870 -0.296 0.000 1.006 3 L CA -0.679 54.025 54.840 -0.226 0.000 0.817 3 L CB 2.152 44.052 42.059 -0.266 0.000 1.272 3 L HN 0.582 8.812 8.230 -0.000 0.000 0.421 4 E N 2.360 122.320 120.200 -0.400 0.000 2.195 4 E HA 0.613 4.964 4.350 0.002 0.000 0.271 4 E C -1.559 174.753 176.600 -0.481 0.000 0.923 4 E CA -0.513 55.718 56.400 -0.282 0.000 0.790 4 E CB 2.209 31.844 29.700 -0.108 0.000 1.155 4 E HN 0.221 8.581 8.360 -0.000 0.000 0.402 5 F N 0.588 120.584 119.950 0.077 0.000 2.532 5 F HA 0.369 4.897 4.527 0.001 0.000 0.321 5 F C 0.243 176.113 175.800 0.116 0.000 1.089 5 F CA -0.914 57.129 58.000 0.071 0.000 0.926 5 F CB 2.231 41.253 39.000 0.036 0.000 1.168 5 F HN 0.228 8.528 8.300 -0.000 0.000 0.459 6 S N 3.800 119.655 115.700 0.259 0.000 2.498 6 S HA 0.719 5.190 4.470 0.002 0.000 0.324 6 S C -0.884 173.842 174.600 0.209 0.000 1.071 6 S CA -0.358 57.964 58.200 0.204 0.000 1.113 6 S CB -0.162 63.110 63.200 0.120 0.000 0.976 6 S HN 0.501 8.811 8.310 -0.000 0.000 0.462 7 I N 4.852 125.567 120.570 0.242 0.000 2.406 7 I HA 0.300 4.471 4.170 0.002 0.000 0.290 7 I C -0.533 175.709 176.117 0.210 0.000 0.999 7 I CA -1.010 60.401 61.300 0.185 0.000 1.124 7 I CB 1.390 39.425 38.000 0.059 0.000 1.289 7 I HN 0.625 8.835 8.210 -0.000 0.000 0.441 8 Y N 7.118 127.459 120.300 0.068 0.000 2.729 8 Y HA 0.051 4.602 4.550 0.002 0.000 0.331 8 Y C 0.088 176.046 175.900 0.096 0.000 1.208 8 Y CA 0.376 58.518 58.100 0.070 0.000 1.521 8 Y CB 0.125 38.609 38.460 0.040 0.000 1.233 8 Y HN 0.428 8.708 8.280 -0.000 0.000 0.539 9 R N 5.694 126.196 120.500 0.003 0.000 2.740 9 R HA 0.431 4.772 4.340 0.002 0.000 0.282 9 R C -1.979 174.374 176.300 0.089 0.000 0.969 9 R CA -1.216 54.945 56.100 0.103 0.000 0.918 9 R CB 1.862 32.211 30.300 0.081 0.000 1.175 9 R HN 0.788 9.058 8.270 -0.000 0.000 0.464 10 Y N 1.256 121.588 120.300 0.054 0.000 2.357 10 Y HA 0.282 4.833 4.550 0.001 0.000 0.319 10 Y C -1.772 174.167 175.900 0.065 0.000 1.225 10 Y CA -0.817 57.309 58.100 0.044 0.000 1.095 10 Y CB 1.675 40.199 38.460 0.107 0.000 1.302 10 Y HN 0.634 8.914 8.280 -0.000 0.000 0.429 11 N N 7.912 126.222 118.700 -0.650 0.000 2.480 11 N HA 0.461 5.202 4.740 0.002 0.000 0.289 11 N C -2.575 172.486 175.510 -0.748 0.000 1.073 11 N CA -2.514 50.224 53.050 -0.518 0.000 0.885 11 N CB 2.852 41.210 38.487 -0.215 0.000 1.421 11 N HN 0.366 8.746 8.380 -0.000 0.000 0.503 12 P HA 0.003 4.423 4.420 -0.000 0.000 0.223 12 P C 0.024 177.225 177.300 -0.165 0.000 1.151 12 P CA 0.879 63.769 63.100 -0.351 0.000 0.787 12 P CB 0.555 32.233 31.700 -0.037 0.000 0.788 13 D N -0.978 119.340 120.400 -0.136 0.000 2.363 13 D HA -0.004 4.637 4.640 0.002 0.000 0.220 13 D C 1.669 177.919 176.300 -0.083 0.000 0.994 13 D CA 0.554 54.506 54.000 -0.079 0.000 0.890 13 D CB 0.384 41.151 40.800 -0.054 0.000 0.906 13 D HN 0.109 8.479 8.370 -0.000 0.000 0.530 14 V N -0.309 119.529 119.914 -0.126 0.000 3.161 14 V HA 0.033 4.154 4.120 0.002 0.000 0.221 14 V C 0.355 176.387 176.094 -0.103 0.000 1.296 14 V CA 0.023 62.264 62.300 -0.098 0.000 1.306 14 V CB 0.628 32.398 31.823 -0.088 0.000 1.171 14 V HN -0.056 8.134 8.190 -0.000 0.000 0.513 15 D N 1.438 121.736 120.400 -0.170 0.000 2.345 15 D HA 0.096 4.737 4.640 0.002 0.000 0.247 15 D C 0.398 176.672 176.300 -0.043 0.000 1.108 15 D CA 0.132 54.061 54.000 -0.119 0.000 0.894 15 D CB 1.897 42.606 40.800 -0.152 0.000 1.203 15 D HN 0.166 8.536 8.370 -0.000 0.000 0.430 16 D N 0.966 121.380 120.400 0.022 0.000 2.149 16 D HA 0.009 4.650 4.640 0.002 0.000 0.206 16 D C 0.192 176.568 176.300 0.128 0.000 0.967 16 D CA 0.665 54.700 54.000 0.058 0.000 0.848 16 D CB 0.641 41.460 40.800 0.032 0.000 0.998 16 D HN 0.455 8.825 8.370 -0.000 0.000 0.474 17 A N -0.349 122.550 122.820 0.132 0.000 2.475 17 A HA 0.690 5.011 4.320 0.002 0.000 0.281 17 A C -2.632 175.073 177.584 0.201 0.000 1.263 17 A CA -1.024 51.109 52.037 0.160 0.000 0.776 17 A CB 0.937 19.972 19.000 0.058 0.000 1.347 17 A HN -0.084 8.066 8.150 -0.000 0.000 0.443 18 P HA 0.563 4.983 4.420 -0.000 0.000 0.276 18 P C -1.060 176.130 177.300 -0.182 0.000 1.244 18 P CA -0.252 62.803 63.100 -0.075 0.000 0.801 18 P CB 0.632 32.123 31.700 -0.347 0.000 1.006 19 R N 0.447 120.787 120.500 -0.265 0.000 2.707 19 R HA 0.705 5.046 4.340 0.002 0.000 0.272 19 R C -0.988 175.201 176.300 -0.185 0.000 1.011 19 R CA -0.985 55.011 56.100 -0.173 0.000 0.893 19 R CB 0.886 31.140 30.300 -0.078 0.000 1.233 19 R HN 0.150 8.420 8.270 -0.000 0.000 0.464 20 M N 1.966 121.512 119.600 -0.090 0.000 2.188 20 M HA 0.306 4.787 4.480 0.002 0.000 0.357 20 M C -0.386 175.924 176.300 0.017 0.000 1.204 20 M CA -0.118 55.173 55.300 -0.014 0.000 1.095 20 M CB 1.222 33.834 32.600 0.019 0.000 1.604 20 M HN 0.696 8.986 8.290 -0.000 0.000 0.464 21 Q N 1.428 121.273 119.800 0.074 0.000 2.345 21 Q HA 0.364 4.705 4.340 0.002 0.000 0.268 21 Q C -1.358 174.692 176.000 0.083 0.000 1.054 21 Q CA -0.723 55.102 55.803 0.037 0.000 0.835 21 Q CB 1.994 30.751 28.738 0.033 0.000 1.339 21 Q HN 0.534 8.804 8.270 -0.000 0.000 0.447 22 D N 1.697 122.068 120.400 -0.048 0.000 2.193 22 D HA 0.375 5.016 4.640 0.002 0.000 0.249 22 D C -1.229 174.997 176.300 -0.123 0.000 1.034 22 D CA 0.241 54.252 54.000 0.018 0.000 0.902 22 D CB 0.868 41.667 40.800 -0.002 0.000 1.182 22 D HN 0.378 8.748 8.370 -0.000 0.000 0.436 23 Y N -0.501 119.872 120.300 0.121 0.000 2.513 23 Y HA 0.348 4.900 4.550 0.002 0.000 0.340 23 Y C 0.119 176.137 175.900 0.196 0.000 1.055 23 Y CA -0.689 57.502 58.100 0.153 0.000 1.020 23 Y CB 2.569 41.135 38.460 0.176 0.000 1.301 23 Y HN 0.081 8.361 8.280 -0.000 0.000 0.453 24 T N 3.610 118.349 114.554 0.309 0.000 2.863 24 T HA 0.672 5.023 4.350 0.002 0.000 0.285 24 T C -1.915 172.929 174.700 0.241 0.000 1.009 24 T CA -0.533 61.695 62.100 0.212 0.000 0.989 24 T CB 1.206 70.134 68.868 0.100 0.000 1.004 24 T HN 0.415 8.655 8.240 -0.000 0.000 0.455 25 L N 3.024 124.378 121.223 0.219 0.000 2.470 25 L HA 0.511 4.852 4.340 0.002 0.000 0.268 25 L C -0.837 176.102 176.870 0.115 0.000 0.964 25 L CA -0.504 54.452 54.840 0.193 0.000 0.839 25 L CB 1.915 44.147 42.059 0.289 0.000 1.276 25 L HN 0.425 8.655 8.230 -0.000 0.000 0.403 26 E N 3.965 124.214 120.200 0.082 0.000 2.217 26 E HA 0.521 4.872 4.350 0.002 0.000 0.279 26 E C -0.518 176.114 176.600 0.053 0.000 1.068 26 E CA 0.022 56.455 56.400 0.053 0.000 0.882 26 E CB 1.317 31.041 29.700 0.042 0.000 1.039 26 E HN 0.660 9.020 8.360 -0.000 0.000 0.418 27 A N 3.180 126.026 122.820 0.044 0.000 2.354 27 A HA 0.317 4.638 4.320 0.002 0.000 0.321 27 A C -0.346 177.254 177.584 0.026 0.000 1.125 27 A CA -0.855 51.206 52.037 0.041 0.000 0.799 27 A CB 1.072 20.101 19.000 0.048 0.000 1.293 27 A HN 0.476 8.626 8.150 -0.000 0.000 0.452 28 D N 0.558 120.972 120.400 0.024 0.000 2.417 28 D HA 0.045 4.686 4.640 0.002 0.000 0.250 28 D C 1.054 177.362 176.300 0.013 0.000 1.166 28 D CA 0.482 54.492 54.000 0.017 0.000 0.881 28 D CB 0.714 41.523 40.800 0.016 0.000 1.164 28 D HN 0.598 8.968 8.370 -0.000 0.000 0.467 29 E N 2.462 122.668 120.200 0.010 0.000 2.017 29 E HA -0.156 4.195 4.350 0.002 0.000 0.193 29 E C 1.747 178.350 176.600 0.005 0.000 0.997 29 E CA 1.187 57.590 56.400 0.006 0.000 0.804 29 E CB -0.193 29.509 29.700 0.004 0.000 0.757 29 E HN 0.694 9.054 8.360 -0.000 0.000 0.448 30 G N 0.779 109.582 108.800 0.006 0.000 2.679 30 G HA2 -0.162 3.799 3.960 0.002 0.000 0.212 30 G HA3 -0.162 3.799 3.960 0.002 0.000 0.212 30 G C 0.817 175.721 174.900 0.007 0.000 1.137 30 G CA -0.181 44.922 45.100 0.005 0.000 0.787 30 G HN 0.070 8.360 8.290 -0.000 0.000 0.534 31 R N 0.443 120.948 120.500 0.009 0.000 2.407 31 R HA 0.370 4.711 4.340 0.002 0.000 0.303 31 R C -1.725 174.582 176.300 0.012 0.000 0.981 31 R CA -0.674 55.433 56.100 0.010 0.000 0.905 31 R CB 1.008 31.316 30.300 0.012 0.000 1.099 31 R HN -0.035 8.235 8.270 -0.000 0.000 0.459 32 D N 4.458 124.864 120.400 0.011 0.000 2.233 32 D HA 0.237 4.878 4.640 0.002 0.000 0.240 32 D C -0.067 176.243 176.300 0.016 0.000 1.074 32 D CA -0.412 53.596 54.000 0.013 0.000 0.838 32 D CB 1.062 41.868 40.800 0.009 0.000 1.124 32 D HN 0.491 8.861 8.370 -0.000 0.000 0.475 33 M N 0.928 120.541 119.600 0.022 0.000 2.753 33 M HA 0.566 5.047 4.480 0.002 0.000 0.299 33 M C -0.450 175.863 176.300 0.022 0.000 1.219 33 M CA -0.982 54.331 55.300 0.022 0.000 0.900 33 M CB 1.476 34.092 32.600 0.028 0.000 1.628 33 M HN -0.005 8.285 8.290 -0.000 0.000 0.502 34 M N 1.318 120.927 119.600 0.015 0.000 2.359 34 M HA 0.246 4.727 4.480 0.002 0.000 0.322 34 M C 0.817 177.121 176.300 0.006 0.000 1.166 34 M CA -0.580 54.726 55.300 0.010 0.000 1.067 34 M CB 1.011 33.613 32.600 0.002 0.000 1.523 34 M HN 0.969 9.259 8.290 -0.000 0.000 0.467 35 L N 2.184 123.407 121.223 -0.000 0.000 2.013 35 L HA -0.212 4.129 4.340 0.002 0.000 0.212 35 L C 1.955 178.764 176.870 -0.103 0.000 1.073 35 L CA 1.820 56.643 54.840 -0.028 0.000 0.753 35 L CB -0.737 41.304 42.059 -0.031 0.000 0.890 35 L HN 0.720 8.950 8.230 -0.000 0.000 0.432 36 L N -0.507 120.671 121.223 -0.074 0.000 2.127 36 L HA -0.247 4.094 4.340 0.002 0.000 0.211 36 L C 2.094 178.934 176.870 -0.049 0.000 1.089 36 L CA 1.888 56.689 54.840 -0.066 0.000 0.757 36 L CB -0.962 41.099 42.059 0.003 0.000 0.899 36 L HN 0.390 8.620 8.230 -0.000 0.000 0.434 37 D N -0.302 120.080 120.400 -0.030 0.000 2.117 37 D HA -0.182 4.459 4.640 0.002 0.000 0.197 37 D C 2.103 178.373 176.300 -0.049 0.000 0.987 37 D CA 1.520 55.510 54.000 -0.017 0.000 0.829 37 D CB 0.008 40.809 40.800 0.002 0.000 0.961 37 D HN 0.532 8.902 8.370 -0.000 0.000 0.460 38 A N 0.939 123.706 122.820 -0.089 0.000 1.898 38 A HA -0.081 4.240 4.320 0.002 0.000 0.216 38 A C 2.440 179.820 177.584 -0.339 0.000 1.181 38 A CA 0.686 52.626 52.037 -0.161 0.000 0.620 38 A CB -0.713 18.212 19.000 -0.125 0.000 0.819 38 A HN 0.147 8.297 8.150 -0.000 0.000 0.442 39 L N -0.569 120.395 121.223 -0.432 0.000 2.017 39 L HA -0.182 4.159 4.340 0.002 0.000 0.208 39 L C 2.504 179.191 176.870 -0.304 0.000 1.073 39 L CA 1.289 55.742 54.840 -0.644 0.000 0.745 39 L CB -0.557 40.870 42.059 -1.054 0.000 0.894 39 L HN 0.361 8.591 8.230 -0.000 0.000 0.432 40 I N -0.497 120.055 120.570 -0.031 0.000 2.208 40 I HA -0.354 3.817 4.170 0.002 0.000 0.245 40 I C 2.653 178.808 176.117 0.062 0.000 1.097 40 I CA 1.497 62.891 61.300 0.158 0.000 1.363 40 I CB -0.169 37.901 38.000 0.116 0.000 1.051 40 I HN 0.378 8.588 8.210 -0.000 0.000 0.413 41 Q N 0.137 119.930 119.800 -0.011 0.000 2.123 41 Q HA -0.127 4.214 4.340 0.002 0.000 0.199 41 Q C 2.356 178.348 176.000 -0.013 0.000 0.966 41 Q CA 1.109 56.910 55.803 -0.003 0.000 0.845 41 Q CB -0.014 28.722 28.738 -0.004 0.000 0.907 41 Q HN 0.509 8.779 8.270 -0.000 0.000 0.439 42 L N 0.696 121.861 121.223 -0.096 0.000 2.127 42 L HA -0.206 4.135 4.340 0.002 0.000 0.211 42 L C 2.353 179.217 176.870 -0.010 0.000 1.089 42 L CA 1.123 55.896 54.840 -0.112 0.000 0.757 42 L CB -0.262 41.553 42.059 -0.405 0.000 0.899 42 L HN 0.127 8.357 8.230 -0.000 0.000 0.434 43 K N 0.101 120.525 120.400 0.041 0.000 2.432 43 K HA -0.102 4.219 4.320 0.002 0.000 0.196 43 K C 1.661 178.307 176.600 0.076 0.000 1.038 43 K CA 0.543 56.895 56.287 0.109 0.000 0.986 43 K CB 0.246 32.870 32.500 0.207 0.000 0.782 43 K HN 0.385 8.635 8.250 -0.000 0.000 0.485 44 E N 0.310 120.545 120.200 0.059 0.000 2.076 44 E HA -0.173 4.178 4.350 0.002 0.000 0.190 44 E C 1.816 178.449 176.600 0.054 0.000 0.979 44 E CA 0.952 57.381 56.400 0.048 0.000 0.807 44 E CB 0.138 29.862 29.700 0.039 0.000 0.761 44 E HN 0.189 8.549 8.360 -0.000 0.000 0.454 45 K N 0.987 121.428 120.400 0.069 0.000 2.031 45 K HA -0.120 4.201 4.320 0.002 0.000 0.205 45 K C 0.328 176.988 176.600 0.100 0.000 1.049 45 K CA 1.430 57.768 56.287 0.084 0.000 0.939 45 K CB 0.336 32.900 32.500 0.108 0.000 0.717 45 K HN -0.105 8.145 8.250 -0.000 0.000 0.438 46 D N -0.021 120.458 120.400 0.132 0.000 2.408 46 D HA 0.232 4.873 4.640 0.002 0.000 0.261 46 D C -2.248 174.122 176.300 0.116 0.000 1.190 46 D CA -2.656 51.431 54.000 0.145 0.000 0.910 46 D CB 1.740 42.699 40.800 0.266 0.000 1.097 46 D HN -0.058 8.312 8.370 -0.000 0.000 0.522 47 P HA -0.097 4.323 4.420 -0.000 0.000 0.225 47 P C 1.213 178.549 177.300 0.061 0.000 1.148 47 P CA 0.740 63.876 63.100 0.060 0.000 0.779 47 P CB 0.197 31.919 31.700 0.037 0.000 0.780 48 S N -1.325 114.419 115.700 0.073 0.000 2.522 48 S HA -0.021 4.450 4.470 0.002 0.000 0.227 48 S C 0.795 175.451 174.600 0.093 0.000 0.986 48 S CA -0.170 58.069 58.200 0.066 0.000 0.929 48 S CB -1.122 62.112 63.200 0.058 0.000 0.769 48 S HN 0.001 8.311 8.310 -0.000 0.000 0.529 49 L N 3.200 124.502 121.223 0.132 0.000 2.433 49 L HA 0.399 4.740 4.340 0.002 0.000 0.275 49 L C -0.509 176.497 176.870 0.227 0.000 1.128 49 L CA 0.345 55.290 54.840 0.174 0.000 0.875 49 L CB 0.472 42.613 42.059 0.137 0.000 1.171 49 L HN 0.106 8.336 8.230 -0.000 0.000 0.463 50 S N 6.173 121.997 115.700 0.207 0.000 2.451 50 S HA 0.810 5.281 4.470 0.002 0.000 0.301 50 S C -0.859 173.896 174.600 0.258 0.000 1.116 50 S CA -0.340 57.935 58.200 0.125 0.000 1.093 50 S CB 0.663 63.897 63.200 0.058 0.000 1.017 50 S HN 0.497 8.807 8.310 -0.000 0.000 0.482 51 F N -0.165 119.773 119.950 -0.019 0.000 2.678 51 F HA 0.608 5.135 4.527 0.001 0.000 0.308 51 F C -0.719 175.065 175.800 -0.027 0.000 1.118 51 F CA -1.425 56.558 58.000 -0.029 0.000 0.959 51 F CB 1.059 40.026 39.000 -0.054 0.000 1.305 51 F HN 0.230 8.530 8.300 -0.000 0.000 0.443 52 R N 2.503 123.049 120.500 0.077 0.000 2.410 52 R HA 0.707 5.048 4.340 0.002 0.000 0.288 52 R C -0.550 175.782 176.300 0.053 0.000 1.051 52 R CA -0.897 55.204 56.100 0.001 0.000 1.021 52 R CB 1.295 31.606 30.300 0.019 0.000 1.032 52 R HN 0.867 9.137 8.270 -0.000 0.000 0.481 53 R N 0.329 120.826 120.500 -0.005 0.000 2.728 53 R HA 0.187 4.528 4.340 0.002 0.000 0.259 53 R C -1.351 174.946 176.300 -0.005 0.000 1.057 53 R CA -0.481 55.636 56.100 0.028 0.000 0.908 53 R CB 1.099 31.454 30.300 0.091 0.000 1.259 53 R HN 0.697 8.967 8.270 -0.000 0.000 0.472 54 S N 0.541 116.244 115.700 0.005 0.000 4.471 54 S HA -0.014 4.457 4.470 0.002 0.000 0.191 54 S C 1.528 176.130 174.600 0.003 0.000 1.128 54 S CA 0.647 58.845 58.200 -0.003 0.000 1.153 54 S CB -0.719 62.478 63.200 -0.004 0.000 1.583 54 S HN 0.902 9.212 8.310 -0.000 0.000 0.590 55 C N 3.882 123.185 119.300 0.005 0.000 2.448 55 C HA 0.400 4.861 4.460 0.002 0.000 0.280 55 C C 1.704 176.698 174.990 0.006 0.000 1.398 55 C CA 1.053 60.073 59.018 0.004 0.000 1.774 55 C CB -1.660 26.082 27.740 0.003 0.000 1.888 55 C HN 0.977 9.207 8.230 -0.000 0.000 0.519 56 R N 2.070 122.576 120.500 0.010 0.000 3.913 56 R HA -0.280 4.061 4.340 0.002 0.000 0.308 56 R C 0.280 176.584 176.300 0.007 0.000 1.225 56 R CA 2.211 58.319 56.100 0.012 0.000 0.869 56 R CB -3.278 27.032 30.300 0.016 0.000 1.266 56 R HN 0.871 9.141 8.270 -0.000 0.000 0.534 57 E N -1.427 118.775 120.200 0.003 0.000 2.759 57 E HA 0.272 4.623 4.350 0.002 0.000 0.220 57 E C 0.798 177.395 176.600 -0.004 0.000 0.974 57 E CA -0.376 56.024 56.400 -0.000 0.000 1.148 57 E CB 0.585 30.285 29.700 0.001 0.000 1.059 57 E HN 0.696 9.056 8.360 -0.000 0.000 0.493 58 G N 0.944 109.740 108.800 -0.006 0.000 2.212 58 G HA2 -0.245 3.716 3.960 0.002 0.000 0.255 58 G HA3 -0.245 3.716 3.960 0.002 0.000 0.255 58 G C 0.533 175.424 174.900 -0.016 0.000 1.062 58 G CA 0.407 45.500 45.100 -0.012 0.000 0.815 58 G HN 0.266 8.556 8.290 -0.000 0.000 0.497 59 V N -1.125 118.782 119.914 -0.012 0.000 3.350 59 V HA 0.003 4.124 4.120 0.002 0.000 0.246 59 V C 2.647 178.735 176.094 -0.008 0.000 1.363 59 V CA 1.524 63.816 62.300 -0.013 0.000 1.162 59 V CB 0.209 32.027 31.823 -0.007 0.000 0.947 59 V HN 1.122 9.312 8.190 -0.000 0.000 0.454 60 C N 0.529 119.827 119.300 -0.004 0.000 2.590 60 C HA 0.539 5.000 4.460 0.002 0.000 0.272 60 C C 2.056 177.047 174.990 0.002 0.000 1.338 60 C CA 0.403 59.421 59.018 0.001 0.000 1.746 60 C CB -0.268 27.475 27.740 0.004 0.000 2.020 60 C HN 1.015 9.245 8.230 -0.000 0.000 0.531 61 G N 1.007 109.803 108.800 -0.006 0.000 2.143 61 G HA2 -0.275 3.686 3.960 0.002 0.000 0.249 61 G HA3 -0.275 3.686 3.960 0.002 0.000 0.249 61 G C 0.898 175.790 174.900 -0.013 0.000 0.981 61 G CA 0.726 45.817 45.100 -0.014 0.000 0.665 61 G HN 0.596 8.886 8.290 -0.000 0.000 0.528 62 S N 0.755 116.455 115.700 -0.000 0.000 2.368 62 S HA 0.003 4.474 4.470 0.002 0.000 0.224 62 S C 1.303 175.905 174.600 0.003 0.000 1.029 62 S CA 1.445 59.650 58.200 0.007 0.000 0.988 62 S CB -0.082 63.126 63.200 0.013 0.000 0.838 62 S HN 0.853 9.163 8.310 -0.000 0.000 0.462 63 D N 1.295 121.699 120.400 0.005 0.000 3.133 63 D HA 0.295 4.936 4.640 0.002 0.000 0.288 63 D C 0.154 176.442 176.300 -0.020 0.000 1.346 63 D CA -0.389 53.620 54.000 0.016 0.000 0.934 63 D CB -0.342 40.487 40.800 0.049 0.000 1.042 63 D HN 0.144 8.514 8.370 -0.000 0.000 0.506 64 G N 0.723 109.494 108.800 -0.049 0.000 2.364 64 G HA2 0.501 4.462 3.960 0.002 0.000 0.267 64 G HA3 0.501 4.462 3.960 0.002 0.000 0.267 64 G C -0.349 174.509 174.900 -0.070 0.000 1.233 64 G CA -0.368 44.688 45.100 -0.074 0.000 0.885 64 G HN 0.402 8.692 8.290 -0.000 0.000 0.490 65 L N 1.438 122.623 121.223 -0.063 0.000 2.415 65 L HA 0.402 4.743 4.340 0.002 0.000 0.256 65 L C -0.254 176.584 176.870 -0.054 0.000 1.010 65 L CA -1.122 53.678 54.840 -0.065 0.000 0.826 65 L CB 2.544 44.564 42.059 -0.065 0.000 1.405 65 L HN 0.494 8.724 8.230 -0.000 0.000 0.410 66 N N 2.428 121.095 118.700 -0.055 0.000 2.437 66 N HA 0.413 5.154 4.740 0.002 0.000 0.243 66 N C -1.469 174.032 175.510 -0.014 0.000 1.041 66 N CA -0.311 52.721 53.050 -0.031 0.000 0.940 66 N CB 0.721 39.186 38.487 -0.038 0.000 1.133 66 N HN 0.523 8.903 8.380 -0.000 0.000 0.506 67 M N 2.676 122.274 119.600 -0.003 0.000 2.167 67 M HA 0.209 4.690 4.480 0.002 0.000 0.333 67 M C 0.145 176.457 176.300 0.020 0.000 1.030 67 M CA -0.608 54.699 55.300 0.011 0.000 0.963 67 M CB 1.093 33.698 32.600 0.007 0.000 1.589 67 M HN 0.394 8.684 8.290 -0.000 0.000 0.431 68 N N 2.497 121.215 118.700 0.031 0.000 2.710 68 N HA -0.200 4.541 4.740 0.002 0.000 0.249 68 N C 0.702 176.227 175.510 0.026 0.000 1.059 68 N CA 1.671 54.738 53.050 0.028 0.000 0.720 68 N CB -1.031 37.469 38.487 0.021 0.000 0.983 68 N HN 1.188 9.568 8.380 -0.000 0.000 0.544 69 G N -1.682 107.135 108.800 0.028 0.000 2.234 69 G HA2 -0.341 3.620 3.960 0.002 0.000 0.235 69 G HA3 -0.341 3.620 3.960 0.002 0.000 0.235 69 G C 0.036 174.957 174.900 0.035 0.000 0.997 69 G CA 0.621 45.740 45.100 0.033 0.000 0.623 69 G HN 0.672 8.962 8.290 -0.000 0.000 0.514 70 K N 0.588 121.003 120.400 0.025 0.000 2.316 70 K HA 0.529 4.850 4.320 0.002 0.000 0.251 70 K C -0.544 176.061 176.600 0.008 0.000 0.934 70 K CA -0.901 55.399 56.287 0.022 0.000 0.802 70 K CB 0.667 33.177 32.500 0.016 0.000 1.171 70 K HN 0.059 8.309 8.250 -0.000 0.000 0.426 71 N N 0.742 119.445 118.700 0.005 0.000 2.508 71 N HA 0.417 5.158 4.740 0.002 0.000 0.264 71 N C -0.227 175.268 175.510 -0.025 0.000 1.216 71 N CA 0.291 53.331 53.050 -0.017 0.000 0.943 71 N CB 1.573 40.045 38.487 -0.024 0.000 1.113 71 N HN 0.821 9.201 8.380 -0.000 0.000 0.447 72 G N -0.321 108.458 108.800 -0.035 0.000 2.430 72 G HA2 0.402 4.363 3.960 0.002 0.000 0.300 72 G HA3 0.402 4.363 3.960 0.002 0.000 0.300 72 G C -1.703 173.174 174.900 -0.039 0.000 1.330 72 G CA -0.775 44.304 45.100 -0.034 0.000 0.813 72 G HN 0.368 8.658 8.290 -0.000 0.000 0.487 73 L N 1.005 122.208 121.223 -0.034 0.000 2.289 73 L HA 0.543 4.884 4.340 0.002 0.000 0.285 73 L C 1.718 178.573 176.870 -0.024 0.000 1.049 73 L CA -0.446 54.376 54.840 -0.030 0.000 0.804 73 L CB 1.730 43.773 42.059 -0.026 0.000 1.195 73 L HN 0.798 9.028 8.230 -0.000 0.000 0.428 74 A N 2.095 124.899 122.820 -0.027 0.000 1.933 74 A HA -0.183 4.138 4.320 0.002 0.000 0.218 74 A C 2.192 179.763 177.584 -0.021 0.000 1.175 74 A CA 1.769 53.785 52.037 -0.035 0.000 0.628 74 A CB -0.851 18.111 19.000 -0.063 0.000 0.814 74 A HN 1.021 9.171 8.150 -0.000 0.000 0.444 75 C N -0.812 118.483 119.300 -0.008 0.000 2.437 75 C HA 0.199 4.660 4.460 0.002 0.000 0.283 75 C C 1.889 176.877 174.990 -0.003 0.000 1.424 75 C CA 0.612 59.630 59.018 -0.001 0.000 1.782 75 C CB -1.630 26.113 27.740 0.006 0.000 1.833 75 C HN 0.716 8.946 8.230 -0.000 0.000 0.532 76 I N -2.073 118.493 120.570 -0.007 0.000 4.147 76 I HA 0.303 4.474 4.170 0.002 0.000 0.329 76 I C -0.233 175.880 176.117 -0.006 0.000 1.424 76 I CA -0.040 61.256 61.300 -0.007 0.000 1.127 76 I CB -0.146 37.849 38.000 -0.009 0.000 1.128 76 I HN -0.042 8.168 8.210 -0.000 0.000 0.417 77 T N 5.043 119.593 114.554 -0.006 0.000 2.738 77 T HA 0.421 4.772 4.350 0.002 0.000 0.298 77 T C -2.505 172.198 174.700 0.006 0.000 0.962 77 T CA -1.075 61.025 62.100 -0.002 0.000 0.972 77 T CB 0.970 69.837 68.868 -0.003 0.000 0.928 77 T HN 0.066 8.306 8.240 -0.000 0.000 0.474 78 P HA 0.235 4.655 4.420 -0.000 0.000 0.275 78 P C 1.034 178.347 177.300 0.021 0.000 1.228 78 P CA -0.640 62.468 63.100 0.013 0.000 0.786 78 P CB 0.601 32.305 31.700 0.008 0.000 0.927 79 I N 1.577 122.166 120.570 0.031 0.000 2.208 79 I HA -0.235 3.936 4.170 0.002 0.000 0.245 79 I C 2.161 178.288 176.117 0.016 0.000 1.097 79 I CA 2.313 63.638 61.300 0.041 0.000 1.363 79 I CB -1.593 36.441 38.000 0.056 0.000 1.051 79 I HN 0.410 8.620 8.210 -0.000 0.000 0.413 80 S N 1.221 116.927 115.700 0.009 0.000 2.399 80 S HA -0.104 4.367 4.470 0.002 0.000 0.231 80 S C 2.161 176.760 174.600 -0.001 0.000 1.022 80 S CA 1.009 59.209 58.200 -0.000 0.000 0.983 80 S CB -0.479 62.722 63.200 0.001 0.000 0.803 80 S HN 0.395 8.705 8.310 -0.000 0.000 0.480 81 A N 1.134 123.956 122.820 0.003 0.000 2.066 81 A HA 0.321 4.642 4.320 0.002 0.000 0.218 81 A C 2.188 179.773 177.584 0.002 0.000 1.157 81 A CA 0.954 52.992 52.037 0.002 0.000 0.670 81 A CB -0.479 18.523 19.000 0.003 0.000 0.804 81 A HN 0.581 8.731 8.150 -0.000 0.000 0.453 82 L N -1.209 120.017 121.223 0.004 0.000 2.286 82 L HA 0.090 4.431 4.340 0.002 0.000 0.203 82 L C 0.781 177.641 176.870 -0.016 0.000 1.068 82 L CA -0.115 54.727 54.840 0.003 0.000 0.811 82 L CB -0.513 41.560 42.059 0.023 0.000 0.989 82 L HN 0.254 8.484 8.230 -0.000 0.000 0.467 83 N N 1.749 120.431 118.700 -0.030 0.000 2.411 83 N HA 0.004 4.745 4.740 0.002 0.000 0.265 83 N C -0.789 174.695 175.510 -0.042 0.000 1.266 83 N CA 0.653 53.668 53.050 -0.057 0.000 0.889 83 N CB 0.370 38.818 38.487 -0.064 0.000 1.069 83 N HN 0.178 8.558 8.380 -0.000 0.000 0.476 84 Q N 2.761 122.532 119.800 -0.048 0.000 2.413 84 Q HA 0.500 4.841 4.340 0.002 0.000 0.276 84 Q C -2.285 173.692 176.000 -0.039 0.000 1.099 84 Q CA -1.904 53.879 55.803 -0.034 0.000 0.814 84 Q CB 1.760 30.483 28.738 -0.025 0.000 1.379 84 Q HN 0.521 8.791 8.270 -0.000 0.000 0.436 85 P HA -0.046 4.374 4.420 -0.000 0.000 0.262 85 P C 0.430 177.714 177.300 -0.027 0.000 1.199 85 P CA 0.922 64.006 63.100 -0.027 0.000 0.763 85 P CB 0.232 31.920 31.700 -0.019 0.000 0.790 86 G N 2.492 111.273 108.800 -0.032 0.000 2.187 86 G HA2 -0.298 3.663 3.960 0.002 0.000 0.261 86 G HA3 -0.298 3.663 3.960 0.002 0.000 0.261 86 G C 0.034 174.917 174.900 -0.028 0.000 1.000 86 G CA 0.435 45.518 45.100 -0.028 0.000 0.718 86 G HN 0.592 8.882 8.290 -0.000 0.000 0.519 87 K N -0.109 120.269 120.400 -0.036 0.000 2.324 87 K HA 0.523 4.844 4.320 0.002 0.000 0.253 87 K C 0.358 176.925 176.600 -0.054 0.000 0.932 87 K CA -0.886 55.382 56.287 -0.033 0.000 0.799 87 K CB 1.471 33.957 32.500 -0.023 0.000 1.154 87 K HN 0.211 8.461 8.250 -0.000 0.000 0.425 88 K N 1.583 121.957 120.400 -0.043 0.000 2.180 88 K HA 0.245 4.566 4.320 0.002 0.000 0.251 88 K C -0.117 176.447 176.600 -0.060 0.000 1.014 88 K CA -0.135 56.114 56.287 -0.063 0.000 0.913 88 K CB 0.457 32.950 32.500 -0.012 0.000 1.008 88 K HN 0.386 8.636 8.250 -0.000 0.000 0.490 89 I N 2.167 122.676 120.570 -0.102 0.000 2.301 89 I HA 0.064 4.235 4.170 0.002 0.000 0.292 89 I C -0.695 175.494 176.117 0.120 0.000 1.046 89 I CA -0.733 60.562 61.300 -0.008 0.000 1.282 89 I CB 0.922 38.891 38.000 -0.052 0.000 1.409 89 I HN 0.183 8.393 8.210 -0.000 0.000 0.484 90 V N 8.320 128.288 119.914 0.090 0.000 2.334 90 V HA 0.332 4.453 4.120 0.002 0.000 0.267 90 V C 0.153 176.302 176.094 0.092 0.000 1.040 90 V CA -0.279 62.080 62.300 0.099 0.000 0.866 90 V CB 0.693 32.558 31.823 0.070 0.000 1.019 90 V HN 0.471 8.661 8.190 -0.000 0.000 0.468 91 I N 6.261 126.892 120.570 0.102 0.000 2.339 91 I HA 0.593 4.764 4.170 0.002 0.000 0.290 91 I C 0.302 176.455 176.117 0.060 0.000 0.994 91 I CA -0.139 61.189 61.300 0.047 0.000 1.191 91 I CB 1.139 39.130 38.000 -0.015 0.000 1.343 91 I HN 0.546 8.756 8.210 -0.000 0.000 0.458 92 R N 5.715 126.221 120.500 0.010 0.000 2.808 92 R HA 0.561 4.902 4.340 0.002 0.000 0.272 92 R C -2.742 173.448 176.300 -0.183 0.000 0.995 92 R CA -1.895 54.174 56.100 -0.052 0.000 0.917 92 R CB 1.599 31.893 30.300 -0.010 0.000 1.217 92 R HN 0.207 8.477 8.270 -0.000 0.000 0.471 93 P HA 0.033 4.453 4.420 -0.000 0.000 0.271 93 P C -0.455 176.715 177.300 -0.216 0.000 1.244 93 P CA -0.291 62.625 63.100 -0.307 0.000 0.793 93 P CB 0.461 31.882 31.700 -0.465 0.000 0.984 94 L N 2.130 123.259 121.223 -0.157 0.000 2.490 94 L HA 0.138 4.479 4.340 0.002 0.000 0.274 94 L C -1.896 174.910 176.870 -0.106 0.000 1.201 94 L CA -1.519 53.255 54.840 -0.111 0.000 0.869 94 L CB -0.411 41.578 42.059 -0.116 0.000 1.123 94 L HN 0.236 8.466 8.230 -0.000 0.000 0.484 95 P HA 0.096 4.516 4.420 -0.000 0.000 0.271 95 P C 0.719 177.968 177.300 -0.084 0.000 1.218 95 P CA 0.404 63.430 63.100 -0.123 0.000 0.780 95 P CB 0.939 32.587 31.700 -0.086 0.000 0.901 96 G N 1.072 109.721 108.800 -0.251 0.000 2.205 96 G HA2 -0.232 3.729 3.960 0.002 0.000 0.261 96 G HA3 -0.232 3.729 3.960 0.002 0.000 0.261 96 G C -0.121 174.772 174.900 -0.012 0.000 0.980 96 G CA -0.192 44.814 45.100 -0.156 0.000 0.632 96 G HN 0.446 8.736 8.290 -0.000 0.000 0.533 97 L N 1.032 122.243 121.223 -0.020 0.000 2.334 97 L HA 0.520 4.861 4.340 0.002 0.000 0.272 97 L C -1.927 174.915 176.870 -0.046 0.000 1.020 97 L CA -2.391 52.447 54.840 -0.003 0.000 0.812 97 L CB 1.466 43.527 42.059 0.003 0.000 1.264 97 L HN -0.158 8.072 8.230 -0.000 0.000 0.439 98 P HA 0.025 4.445 4.420 -0.000 0.000 0.263 98 P C -0.723 176.554 177.300 -0.039 0.000 1.195 98 P CA -0.173 62.908 63.100 -0.032 0.000 0.762 98 P CB 0.402 32.101 31.700 -0.002 0.000 0.799 99 V N 5.663 125.538 119.914 -0.066 0.000 2.470 99 V HA 0.052 4.173 4.120 0.002 0.000 0.276 99 V C 1.844 177.970 176.094 0.055 0.000 1.040 99 V CA 0.299 62.577 62.300 -0.035 0.000 1.008 99 V CB 0.408 32.191 31.823 -0.068 0.000 0.990 99 V HN 0.551 8.741 8.190 -0.000 0.000 0.477 100 I N 3.240 123.866 120.570 0.093 0.000 2.339 100 I HA 0.089 4.260 4.170 0.002 0.000 0.245 100 I C 1.116 177.367 176.117 0.224 0.000 1.096 100 I CA 0.793 62.173 61.300 0.134 0.000 1.408 100 I CB 0.186 38.240 38.000 0.090 0.000 1.092 100 I HN 0.674 8.884 8.210 -0.000 0.000 0.423 101 R N 0.450 121.083 120.500 0.221 0.000 2.764 101 R HA 0.132 4.473 4.340 0.002 0.000 0.250 101 R C -0.602 175.835 176.300 0.228 0.000 1.122 101 R CA -0.315 55.929 56.100 0.239 0.000 1.022 101 R CB 0.565 30.942 30.300 0.127 0.000 1.266 101 R HN 0.071 8.341 8.270 -0.000 0.000 0.454 102 D N 2.340 122.917 120.400 0.294 0.000 4.056 102 D HA -0.326 4.315 4.640 0.002 0.000 0.169 102 D C 0.618 177.070 176.300 0.253 0.000 0.744 102 D CA 2.474 56.650 54.000 0.294 0.000 1.006 102 D CB -0.517 40.408 40.800 0.209 0.000 0.448 102 D HN 0.557 8.927 8.370 -0.000 0.000 0.412 103 L N 0.665 121.985 121.223 0.161 0.000 2.741 103 L HA 0.239 4.580 4.340 0.002 0.000 0.237 103 L C -0.029 176.862 176.870 0.035 0.000 1.178 103 L CA -0.204 54.673 54.840 0.061 0.000 0.973 103 L CB 0.645 42.736 42.059 0.054 0.000 1.255 103 L HN -0.046 8.184 8.230 -0.000 0.000 0.498 104 V N 1.185 121.134 119.914 0.059 0.000 2.370 104 V HA 0.286 4.407 4.120 0.002 0.000 0.279 104 V C 0.244 176.346 176.094 0.013 0.000 1.029 104 V CA -0.767 61.556 62.300 0.039 0.000 0.870 104 V CB 1.724 33.582 31.823 0.058 0.000 0.984 104 V HN 0.044 8.234 8.190 -0.000 0.000 0.451 105 V N 1.136 121.037 119.914 -0.022 0.000 2.713 105 V HA 0.586 4.707 4.120 0.002 0.000 0.307 105 V C 0.005 176.089 176.094 -0.018 0.000 1.052 105 V CA -0.832 61.446 62.300 -0.037 0.000 0.967 105 V CB 1.881 33.656 31.823 -0.079 0.000 1.019 105 V HN 0.725 8.915 8.190 -0.000 0.000 0.459 106 D N 3.780 124.178 120.400 -0.004 0.000 2.344 106 D HA 0.187 4.829 4.640 0.002 0.000 0.253 106 D C 0.853 177.140 176.300 -0.021 0.000 1.255 106 D CA -0.103 53.905 54.000 0.014 0.000 0.894 106 D CB 1.083 41.903 40.800 0.033 0.000 1.067 106 D HN 0.574 8.944 8.370 -0.000 0.000 0.492 107 M N 2.617 122.174 119.600 -0.072 0.000 2.618 107 M HA 0.063 4.544 4.480 0.002 0.000 0.240 107 M C 1.924 178.064 176.300 -0.268 0.000 1.123 107 M CA 0.002 55.142 55.300 -0.268 0.000 1.060 107 M CB -0.464 31.797 32.600 -0.565 0.000 1.535 107 M HN 0.445 8.735 8.290 -0.000 0.000 0.507 108 G N 1.361 110.157 108.800 -0.006 0.000 2.808 108 G HA2 -0.335 3.626 3.960 0.002 0.000 0.225 108 G HA3 -0.335 3.626 3.960 0.002 0.000 0.225 108 G C 1.343 176.311 174.900 0.112 0.000 1.210 108 G CA 1.249 46.417 45.100 0.115 0.000 0.777 108 G HN 0.473 8.763 8.290 -0.000 0.000 0.640 109 Q N -0.853 119.011 119.800 0.107 0.000 2.181 109 Q HA -0.078 4.263 4.340 0.002 0.000 0.205 109 Q C 2.247 178.384 176.000 0.229 0.000 0.980 109 Q CA 1.316 57.207 55.803 0.147 0.000 0.862 109 Q CB -0.247 28.566 28.738 0.126 0.000 0.905 109 Q HN 0.575 8.845 8.270 -0.000 0.000 0.429 110 F N -0.503 119.470 119.950 0.038 0.000 2.186 110 F HA -0.229 4.299 4.527 0.001 0.000 0.299 110 F C 1.340 177.147 175.800 0.010 0.000 1.090 110 F CA 1.222 59.206 58.000 -0.027 0.000 1.307 110 F CB -0.056 38.785 39.000 -0.265 0.000 1.019 110 F HN 0.045 8.345 8.300 -0.000 0.000 0.489 111 Y N 0.117 120.465 120.300 0.080 0.000 2.337 111 Y HA 0.120 4.671 4.550 0.001 0.000 0.293 111 Y C 2.547 178.481 175.900 0.057 0.000 1.123 111 Y CA 0.444 58.557 58.100 0.022 0.000 1.201 111 Y CB -1.537 36.995 38.460 0.119 0.000 1.011 111 Y HN 0.145 8.425 8.280 -0.000 0.000 0.545 112 A N -0.187 122.756 122.820 0.205 0.000 1.968 112 A HA -0.135 4.186 4.320 0.002 0.000 0.217 112 A C 2.083 179.718 177.584 0.084 0.000 1.169 112 A CA 1.160 53.281 52.037 0.141 0.000 0.638 112 A CB -0.300 18.770 19.000 0.116 0.000 0.812 112 A HN 0.294 8.444 8.150 -0.000 0.000 0.446 113 Q N -1.651 118.186 119.800 0.062 0.000 2.172 113 Q HA -0.127 4.215 4.340 0.002 0.000 0.200 113 Q C 1.874 177.869 176.000 -0.007 0.000 0.964 113 Q CA 1.424 57.239 55.803 0.020 0.000 0.855 113 Q CB -0.626 28.133 28.738 0.035 0.000 0.918 113 Q HN 0.837 9.107 8.270 -0.000 0.000 0.444 114 Y N 2.419 122.617 120.300 -0.171 0.000 2.145 114 Y HA -0.188 4.364 4.550 0.002 0.000 0.286 114 Y C 1.932 177.784 175.900 -0.081 0.000 1.145 114 Y CA 1.758 59.762 58.100 -0.160 0.000 1.148 114 Y CB -0.025 38.318 38.460 -0.194 0.000 0.981 114 Y HN 0.135 8.415 8.280 -0.000 0.000 0.507 115 E N 0.056 120.233 120.200 -0.038 0.000 2.110 115 E HA -0.230 4.121 4.350 0.002 0.000 0.193 115 E C 2.098 178.630 176.600 -0.113 0.000 0.988 115 E CA 1.298 57.643 56.400 -0.092 0.000 0.804 115 E CB -0.170 29.553 29.700 0.038 0.000 0.745 115 E HN 0.488 8.848 8.360 -0.000 0.000 0.458 116 K N 0.637 120.994 120.400 -0.072 0.000 2.211 116 K HA -0.158 4.163 4.320 0.002 0.000 0.204 116 K C 1.848 178.376 176.600 -0.120 0.000 1.047 116 K CA 1.118 57.365 56.287 -0.067 0.000 0.935 116 K CB -0.167 32.316 32.500 -0.028 0.000 0.728 116 K HN 0.207 8.457 8.250 -0.000 0.000 0.452 117 I N -1.511 118.948 120.570 -0.184 0.000 3.810 117 I HA 0.112 4.283 4.170 0.002 0.000 0.322 117 I C -0.771 175.126 176.117 -0.367 0.000 1.288 117 I CA -0.152 61.023 61.300 -0.208 0.000 1.143 117 I CB -0.296 37.617 38.000 -0.145 0.000 1.012 117 I HN -0.094 8.116 8.210 -0.000 0.000 0.423 118 K N 1.085 121.191 120.400 -0.489 0.000 3.974 118 K HA -0.109 4.212 4.320 0.002 0.000 0.280 118 K C -2.114 173.668 176.600 -1.364 0.000 0.949 118 K CA 0.486 56.202 56.287 -0.953 0.000 0.817 118 K CB -0.963 31.103 32.500 -0.723 0.000 1.535 118 K HN 0.379 8.629 8.250 -0.000 0.000 0.444 119 P HA 0.016 4.436 4.420 -0.000 0.000 0.218 119 P C -1.248 175.455 177.300 -0.996 0.000 1.793 119 P CA 0.182 62.683 63.100 -0.999 0.000 0.941 119 P CB -0.448 30.748 31.700 -0.839 0.000 1.919 120 Y N -1.943 117.684 120.300 -1.121 0.000 2.562 120 Y HA 0.510 5.061 4.550 0.001 0.000 0.345 120 Y C -0.210 175.280 175.900 -0.684 0.000 1.045 120 Y CA -2.295 55.392 58.100 -0.689 0.000 1.028 120 Y CB 0.471 38.744 38.460 -0.312 0.000 1.297 120 Y HN -0.244 8.036 8.280 -0.000 0.000 0.463 121 L N 2.986 124.209 121.223 0.000 0.000 2.490 121 L HA 0.261 4.602 4.340 0.002 0.000 0.274 121 L C -0.871 176.030 176.870 0.052 0.000 1.201 121 L CA 0.431 55.337 54.840 0.109 0.000 0.869 121 L CB 0.158 42.323 42.059 0.177 0.000 1.123 121 L HN 0.685 8.915 8.230 -0.000 0.000 0.484 122 L N 6.282 127.517 121.223 0.020 0.000 2.366 122 L HA 0.429 4.770 4.340 0.002 0.000 0.266 122 L C -0.374 176.507 176.870 0.018 0.000 1.010 122 L CA -0.252 54.602 54.840 0.023 0.000 0.879 122 L CB 0.788 42.840 42.059 -0.011 0.000 1.228 122 L HN 0.634 8.864 8.230 -0.000 0.000 0.439 123 N N 2.187 120.906 118.700 0.032 0.000 2.407 123 N HA 0.076 4.817 4.740 0.002 0.000 0.277 123 N C 0.531 176.066 175.510 0.041 0.000 0.995 123 N CA -0.431 52.637 53.050 0.030 0.000 0.903 123 N CB 1.533 40.053 38.487 0.055 0.000 1.218 123 N HN 0.581 8.961 8.380 -0.000 0.000 0.487 124 N N 3.421 122.140 118.700 0.030 0.000 2.585 124 N HA -0.019 4.722 4.740 0.002 0.000 0.188 124 N C 1.198 176.728 175.510 0.033 0.000 1.102 124 N CA 1.212 54.278 53.050 0.027 0.000 0.920 124 N CB -0.216 38.282 38.487 0.019 0.000 0.963 124 N HN 0.802 9.182 8.380 -0.000 0.000 0.447 125 G N -1.338 107.493 108.800 0.052 0.000 2.199 125 G HA2 -0.332 3.629 3.960 0.002 0.000 0.254 125 G HA3 -0.332 3.629 3.960 0.002 0.000 0.254 125 G C -0.244 174.680 174.900 0.040 0.000 0.982 125 G CA 0.287 45.416 45.100 0.049 0.000 0.632 125 G HN 0.540 8.830 8.290 -0.000 0.000 0.529 126 Q N 0.259 120.082 119.800 0.038 0.000 2.340 126 Q HA 0.456 4.797 4.340 0.002 0.000 0.249 126 Q C 0.590 176.613 176.000 0.037 0.000 0.957 126 Q CA -0.282 55.538 55.803 0.029 0.000 0.882 126 Q CB 0.334 29.085 28.738 0.022 0.000 1.235 126 Q HN 0.323 8.593 8.270 -0.000 0.000 0.439 127 N N 1.431 120.146 118.700 0.026 0.000 2.667 127 N HA -0.121 4.620 4.740 0.002 0.000 0.263 127 N C -2.475 173.054 175.510 0.032 0.000 1.038 127 N CA 0.288 53.353 53.050 0.026 0.000 0.749 127 N CB -1.007 37.496 38.487 0.028 0.000 0.892 127 N HN 0.462 8.842 8.380 -0.000 0.000 0.546 128 P HA 0.279 4.699 4.420 -0.000 0.000 0.271 128 P C -2.090 175.183 177.300 -0.044 0.000 1.218 128 P CA -0.741 62.350 63.100 -0.014 0.000 0.780 128 P CB 0.206 31.889 31.700 -0.029 0.000 0.901 129 P HA 0.187 4.607 4.420 -0.000 0.000 0.276 129 P C 0.462 177.708 177.300 -0.090 0.000 1.244 129 P CA -0.435 62.606 63.100 -0.098 0.000 0.801 129 P CB 0.796 32.390 31.700 -0.178 0.000 1.006 130 A N 2.524 125.310 122.820 -0.058 0.000 1.902 130 A HA -0.126 4.195 4.320 0.002 0.000 0.217 130 A C 1.756 179.306 177.584 -0.057 0.000 1.181 130 A CA 1.325 53.334 52.037 -0.047 0.000 0.623 130 A CB -0.387 18.595 19.000 -0.031 0.000 0.818 130 A HN 0.604 8.754 8.150 -0.000 0.000 0.443 131 R N -1.130 119.332 120.500 -0.064 0.000 2.642 131 R HA 0.239 4.580 4.340 0.002 0.000 0.103 131 R C -0.228 176.016 176.300 -0.093 0.000 1.144 131 R CA -0.220 55.842 56.100 -0.063 0.000 0.955 131 R CB -0.172 30.104 30.300 -0.039 0.000 0.817 131 R HN 0.491 8.761 8.270 -0.000 0.000 0.381 132 E N 2.873 123.035 120.200 -0.064 0.000 2.408 132 E HA 0.000 4.351 4.350 0.002 0.000 0.259 132 E C -0.617 175.947 176.600 -0.061 0.000 1.110 132 E CA 0.081 56.446 56.400 -0.057 0.000 0.929 132 E CB 0.347 30.041 29.700 -0.011 0.000 0.971 132 E HN 0.312 8.672 8.360 -0.000 0.000 0.438 133 H N 0.920 119.982 119.070 -0.014 0.000 2.815 133 H HA 0.120 4.677 4.556 0.001 0.000 0.350 133 H C -0.073 175.243 175.328 -0.020 0.000 1.080 133 H CA 0.121 56.161 56.048 -0.014 0.000 1.433 133 H CB 0.473 30.227 29.762 -0.014 0.000 1.432 133 H HN 0.303 8.583 8.280 -0.000 0.000 0.592 134 L N 3.439 124.728 121.223 0.111 0.000 2.265 134 L HA 0.233 4.574 4.340 0.002 0.000 0.288 134 L C 0.505 177.393 176.870 0.029 0.000 1.058 134 L CA 0.038 54.907 54.840 0.048 0.000 0.809 134 L CB 0.673 42.748 42.059 0.028 0.000 1.179 134 L HN 0.422 8.652 8.230 -0.000 0.000 0.429 135 Q N 3.782 123.586 119.800 0.006 0.000 2.320 135 Q HA 0.386 4.727 4.340 0.002 0.000 0.268 135 Q C -0.865 175.121 176.000 -0.024 0.000 1.023 135 Q CA -0.894 54.897 55.803 -0.019 0.000 0.744 135 Q CB 1.503 30.218 28.738 -0.038 0.000 1.246 135 Q HN 0.467 8.737 8.270 -0.000 0.000 0.462 136 M N 4.362 123.948 119.600 -0.024 0.000 2.249 136 M HA 0.105 4.586 4.480 0.002 0.000 0.340 136 M C -1.737 174.546 176.300 -0.029 0.000 1.166 136 M CA -2.015 53.272 55.300 -0.022 0.000 1.115 136 M CB -0.183 32.406 32.600 -0.019 0.000 1.606 136 M HN 0.426 8.716 8.290 -0.000 0.000 0.448 137 P HA -0.225 4.195 4.420 -0.000 0.000 0.217 137 P C 1.202 178.485 177.300 -0.028 0.000 1.148 137 P CA 1.443 64.527 63.100 -0.027 0.000 0.834 137 P CB 0.043 31.732 31.700 -0.018 0.000 0.783 138 E N 0.016 120.201 120.200 -0.025 0.000 2.130 138 E HA -0.273 4.078 4.350 0.002 0.000 0.196 138 E C 1.904 178.481 176.600 -0.038 0.000 0.998 138 E CA 1.496 57.880 56.400 -0.026 0.000 0.806 138 E CB -0.421 29.265 29.700 -0.022 0.000 0.738 138 E HN 0.304 8.664 8.360 -0.000 0.000 0.459 139 Q N -0.662 119.111 119.800 -0.046 0.000 2.163 139 Q HA -0.049 4.292 4.340 0.002 0.000 0.198 139 Q C 2.226 178.177 176.000 -0.081 0.000 0.954 139 Q CA 0.984 56.748 55.803 -0.064 0.000 0.851 139 Q CB -0.018 28.682 28.738 -0.063 0.000 0.928 139 Q HN 0.043 8.313 8.270 -0.000 0.000 0.459 140 R N 1.712 122.167 120.500 -0.075 0.000 2.096 140 R HA -0.161 4.180 4.340 0.002 0.000 0.235 140 R C 1.511 177.767 176.300 -0.074 0.000 1.127 140 R CA 1.658 57.704 56.100 -0.091 0.000 0.968 140 R CB -0.241 30.008 30.300 -0.085 0.000 0.861 140 R HN 0.211 8.481 8.270 -0.000 0.000 0.440 141 E N 0.195 120.367 120.200 -0.047 0.000 2.187 141 E HA -0.221 4.130 4.350 0.002 0.000 0.199 141 E C 1.582 178.165 176.600 -0.029 0.000 1.004 141 E CA 1.867 58.253 56.400 -0.024 0.000 0.813 141 E CB 0.037 29.727 29.700 -0.017 0.000 0.736 141 E HN 0.340 8.700 8.360 -0.000 0.000 0.468 142 K N -0.113 120.249 120.400 -0.064 0.000 2.283 142 K HA -0.089 4.232 4.320 0.002 0.000 0.202 142 K C 1.887 178.425 176.600 -0.104 0.000 1.048 142 K CA 0.707 56.939 56.287 -0.091 0.000 0.948 142 K CB 0.032 32.448 32.500 -0.140 0.000 0.742 142 K HN 0.251 8.501 8.250 -0.000 0.000 0.458 143 L N 0.883 122.052 121.223 -0.091 0.000 2.418 143 L HA -0.007 4.334 4.340 0.002 0.000 0.218 143 L C 0.183 177.125 176.870 0.119 0.000 1.125 143 L CA 0.188 54.991 54.840 -0.061 0.000 0.835 143 L CB -0.230 41.745 42.059 -0.139 0.000 0.953 143 L HN 0.046 8.276 8.230 -0.000 0.000 0.454 144 D N 1.178 121.651 120.400 0.121 0.000 2.450 144 D HA 0.232 4.873 4.640 0.002 0.000 0.247 144 D C 1.173 177.522 176.300 0.081 0.000 1.162 144 D CA 1.293 55.394 54.000 0.168 0.000 0.879 144 D CB 1.255 42.121 40.800 0.110 0.000 1.163 144 D HN 0.293 8.663 8.370 -0.000 0.000 0.472 145 G N 1.706 110.522 108.800 0.027 0.000 2.176 145 G HA2 -0.240 3.721 3.960 0.002 0.000 0.232 145 G HA3 -0.240 3.721 3.960 0.002 0.000 0.232 145 G C 0.763 175.668 174.900 0.008 0.000 0.986 145 G CA 0.244 45.346 45.100 0.002 0.000 0.643 145 G HN 0.500 8.790 8.290 -0.000 0.000 0.522 146 L N -1.592 119.641 121.223 0.016 0.000 2.713 146 L HA 0.234 4.575 4.340 0.002 0.000 0.223 146 L C 2.217 179.095 176.870 0.013 0.000 1.040 146 L CA 0.648 55.503 54.840 0.026 0.000 0.894 146 L CB -0.483 41.592 42.059 0.026 0.000 1.361 146 L HN 0.297 8.527 8.230 -0.000 0.000 0.490 147 Y N 0.548 120.809 120.300 -0.065 0.000 2.516 147 Y HA 0.081 4.632 4.550 0.001 0.000 0.291 147 Y C 1.733 177.620 175.900 -0.021 0.000 1.131 147 Y CA 0.498 58.561 58.100 -0.063 0.000 1.281 147 Y CB -0.534 37.874 38.460 -0.087 0.000 1.013 147 Y HN 0.058 8.338 8.280 -0.000 0.000 0.554 148 E N 0.558 120.399 120.200 -0.599 0.000 2.478 148 E HA -0.032 4.319 4.350 0.002 0.000 0.198 148 E C 0.697 177.174 176.600 -0.204 0.000 1.046 148 E CA 0.380 56.473 56.400 -0.513 0.000 0.870 148 E CB -0.330 29.093 29.700 -0.461 0.000 0.818 148 E HN 0.472 8.832 8.360 -0.000 0.000 0.527 149 C N 1.330 120.563 119.300 -0.112 0.000 2.596 149 C HA 0.036 4.497 4.460 0.002 0.000 0.414 149 C C 1.700 176.673 174.990 -0.029 0.000 1.396 149 C CA -0.372 58.619 59.018 -0.046 0.000 1.698 149 C CB -0.777 26.962 27.740 -0.003 0.000 2.572 149 C HN 0.602 8.832 8.230 -0.000 0.000 0.604 150 I N 4.145 124.701 120.570 -0.024 0.000 3.875 150 I HA 0.275 4.446 4.170 0.002 0.000 0.329 150 I C 0.639 176.762 176.117 0.010 0.000 1.295 150 I CA -0.123 61.169 61.300 -0.013 0.000 1.129 150 I CB -0.418 37.569 38.000 -0.022 0.000 1.008 150 I HN 0.760 8.970 8.210 -0.000 0.000 0.413 151 L N 1.517 122.761 121.223 0.035 0.000 3.762 151 L HA -0.267 4.074 4.340 0.002 0.000 0.460 151 L C 1.480 178.397 176.870 0.078 0.000 1.255 151 L CA 0.266 55.200 54.840 0.156 0.000 0.783 151 L CB -1.996 40.138 42.059 0.125 0.000 1.600 151 L HN 0.814 9.044 8.230 -0.000 0.000 0.862 152 C N -2.421 116.847 119.300 -0.053 0.000 2.634 152 C HA 0.674 5.135 4.460 0.002 0.000 0.268 152 C C 2.108 176.887 174.990 -0.353 0.000 1.322 152 C CA 0.340 59.270 59.018 -0.147 0.000 1.737 152 C CB 0.380 28.060 27.740 -0.099 0.000 1.976 152 C HN 1.484 9.714 8.230 -0.000 0.000 0.547 153 A N -0.757 121.729 122.820 -0.558 0.000 3.601 153 A HA -0.288 4.033 4.320 0.002 0.000 0.266 153 A C 1.535 178.848 177.584 -0.451 0.000 1.077 153 A CA 1.204 52.674 52.037 -0.945 0.000 1.228 153 A CB -2.699 15.507 19.000 -1.324 0.000 1.099 153 A HN 0.803 8.953 8.150 -0.000 0.000 0.916 154 C N -0.218 118.924 119.300 -0.263 0.000 2.398 154 C HA -0.278 4.183 4.460 0.002 0.000 0.276 154 C C 3.002 177.911 174.990 -0.135 0.000 1.222 154 C CA 1.842 60.764 59.018 -0.159 0.000 1.746 154 C CB -2.009 25.667 27.740 -0.107 0.000 2.039 154 C HN 1.265 9.495 8.230 -0.000 0.000 0.470 155 C N -0.017 119.204 119.300 -0.132 0.000 2.462 155 C HA -0.047 4.414 4.460 0.002 0.000 0.278 155 C C 2.842 177.732 174.990 -0.167 0.000 1.253 155 C CA 1.330 60.279 59.018 -0.115 0.000 1.713 155 C CB -1.566 26.123 27.740 -0.085 0.000 2.049 155 C HN 0.549 8.779 8.230 -0.000 0.000 0.477 156 S N 1.685 117.243 115.700 -0.237 0.000 2.370 156 S HA -0.141 4.330 4.470 0.002 0.000 0.226 156 S C 1.909 176.301 174.600 -0.347 0.000 1.033 156 S CA 2.179 60.105 58.200 -0.456 0.000 1.011 156 S CB -0.843 61.913 63.200 -0.741 0.000 0.852 156 S HN 0.925 9.235 8.310 -0.000 0.000 0.457 157 T N -0.131 114.319 114.554 -0.174 0.000 3.284 157 T HA 0.120 4.471 4.350 0.002 0.000 0.252 157 T C 1.178 176.032 174.700 0.255 0.000 1.144 157 T CA 0.719 62.899 62.100 0.134 0.000 1.021 157 T CB -0.186 68.711 68.868 0.048 0.000 0.984 157 T HN 0.378 8.618 8.240 -0.000 0.000 0.545 158 S N -0.900 114.802 115.700 0.003 0.000 2.666 158 S HA 0.261 4.732 4.470 0.002 0.000 0.239 158 S C 0.487 174.837 174.600 -0.418 0.000 1.031 158 S CA -0.653 57.526 58.200 -0.035 0.000 1.015 158 S CB -0.517 62.669 63.200 -0.023 0.000 0.981 158 S HN 0.551 8.861 8.310 -0.000 0.000 0.547 159 C N 3.298 122.273 119.300 -0.542 0.000 2.255 159 C HA 0.644 5.105 4.460 0.002 0.000 0.326 159 C C -1.362 172.966 174.990 -1.102 0.000 1.258 159 C CA -1.841 56.829 59.018 -0.580 0.000 1.676 159 C CB 0.845 28.483 27.740 -0.169 0.000 2.314 159 C HN 0.278 8.508 8.230 -0.000 0.000 0.509 160 P HA -0.124 4.296 4.420 -0.000 0.000 0.215 160 P C 1.867 178.631 177.300 -0.893 0.000 1.157 160 P CA 1.704 64.086 63.100 -1.196 0.000 0.874 160 P CB 0.151 31.591 31.700 -0.433 0.000 0.790 161 S N -2.041 113.456 115.700 -0.338 0.000 2.400 161 S HA -0.157 4.314 4.470 0.002 0.000 0.232 161 S C 1.585 176.254 174.600 0.114 0.000 1.025 161 S CA 0.867 59.002 58.200 -0.109 0.000 0.993 161 S CB -0.998 61.998 63.200 -0.339 0.000 0.808 161 S HN 0.095 8.405 8.310 -0.000 0.000 0.478 162 F N 0.736 120.701 119.950 0.024 0.000 2.234 162 F HA -0.008 4.520 4.527 0.002 0.000 0.296 162 F C 1.645 177.476 175.800 0.052 0.000 1.089 162 F CA 0.860 58.943 58.000 0.137 0.000 1.343 162 F CB -0.199 38.826 39.000 0.042 0.000 1.040 162 F HN 0.253 8.553 8.300 -0.000 0.000 0.498 163 W N 0.089 121.240 121.300 -0.248 0.000 2.335 163 W HA -0.209 4.452 4.660 0.001 0.000 0.311 163 W C 2.227 178.588 176.519 -0.263 0.000 1.213 163 W CA 1.079 58.152 57.345 -0.455 0.000 1.274 163 W CB -1.868 27.010 29.460 -0.970 0.000 1.148 163 W HN 0.200 8.380 8.180 -0.000 0.000 0.498 164 W N -0.490 120.971 121.300 0.268 0.000 2.436 164 W HA -0.057 4.604 4.660 0.002 0.000 0.284 164 W C 0.670 177.240 176.519 0.085 0.000 1.225 164 W CA 0.436 57.878 57.345 0.162 0.000 1.271 164 W CB -0.530 29.024 29.460 0.157 0.000 1.114 164 W HN -0.256 7.924 8.180 -0.000 0.000 0.559 165 N N 0.120 118.951 118.700 0.218 0.000 2.711 165 N HA 0.089 4.830 4.740 0.002 0.000 0.263 165 N C -2.317 173.158 175.510 -0.058 0.000 1.667 165 N CA -0.681 52.437 53.050 0.113 0.000 0.785 165 N CB 0.990 39.612 38.487 0.224 0.000 1.231 165 N HN -0.085 8.295 8.380 -0.000 0.000 0.503 166 P HA -0.050 4.370 4.420 -0.000 0.000 0.230 166 P C 0.338 177.429 177.300 -0.350 0.000 1.158 166 P CA 1.186 63.822 63.100 -0.773 0.000 0.769 166 P CB 0.334 31.611 31.700 -0.706 0.000 0.807 167 D N -1.628 118.683 120.400 -0.148 0.000 2.433 167 D HA 0.067 4.708 4.640 0.002 0.000 0.211 167 D C 1.351 177.624 176.300 -0.045 0.000 1.114 167 D CA 0.075 54.037 54.000 -0.064 0.000 0.837 167 D CB 0.020 40.787 40.800 -0.056 0.000 0.984 167 D HN 0.133 8.503 8.370 -0.000 0.000 0.505 168 K N -1.001 119.381 120.400 -0.031 0.000 2.443 168 K HA 0.152 4.473 4.320 0.002 0.000 0.200 168 K C -0.232 176.497 176.600 0.215 0.000 1.278 168 K CA -0.335 55.933 56.287 -0.031 0.000 0.925 168 K CB 0.960 33.231 32.500 -0.382 0.000 1.225 168 K HN -0.001 8.249 8.250 -0.000 0.000 0.514 169 F N 2.316 122.340 119.950 0.124 0.000 2.411 169 F HA 0.172 4.700 4.527 0.002 0.000 0.350 169 F C 1.082 177.005 175.800 0.204 0.000 1.114 169 F CA -1.098 57.020 58.000 0.196 0.000 1.135 169 F CB 0.519 39.648 39.000 0.215 0.000 1.120 169 F HN -0.144 8.156 8.300 -0.000 0.000 0.495 170 I N 4.159 124.585 120.570 -0.239 0.000 2.226 170 I HA -0.006 4.165 4.170 0.002 0.000 0.245 170 I C 1.405 177.221 176.117 -0.501 0.000 1.100 170 I CA 1.716 62.846 61.300 -0.284 0.000 1.374 170 I CB -1.810 36.080 38.000 -0.183 0.000 1.057 170 I HN 0.801 9.011 8.210 -0.000 0.000 0.413 171 G N 0.450 108.479 108.800 -1.285 0.000 2.663 171 G HA2 -0.117 3.844 3.960 0.002 0.000 0.686 171 G HA3 -0.117 3.844 3.960 0.002 0.000 0.686 171 G C -1.843 172.765 174.900 -0.486 0.000 1.246 171 G CA -0.244 44.304 45.100 -0.919 0.000 0.795 171 G HN 0.020 8.310 8.290 -0.000 0.000 0.627 172 P HA -0.167 4.253 4.420 -0.000 0.000 0.215 172 P C 2.100 179.338 177.300 -0.102 0.000 1.157 172 P CA 2.972 65.998 63.100 -0.124 0.000 0.874 172 P CB -0.119 31.529 31.700 -0.087 0.000 0.790 173 A N 0.135 122.894 122.820 -0.101 0.000 1.902 173 A HA -0.047 4.274 4.320 0.002 0.000 0.217 173 A C 2.649 180.202 177.584 -0.052 0.000 1.181 173 A CA 2.123 54.143 52.037 -0.029 0.000 0.623 173 A CB -1.883 17.180 19.000 0.106 0.000 0.818 173 A HN 0.306 8.456 8.150 -0.000 0.000 0.443 174 G N -0.235 108.483 108.800 -0.137 0.000 2.421 174 G HA2 -0.143 3.818 3.960 0.002 0.000 0.216 174 G HA3 -0.143 3.818 3.960 0.002 0.000 0.216 174 G C 1.556 176.439 174.900 -0.029 0.000 1.171 174 G CA 0.992 46.049 45.100 -0.072 0.000 0.775 174 G HN 0.418 8.708 8.290 -0.000 0.000 0.543 175 L N -0.371 120.807 121.223 -0.075 0.000 2.093 175 L HA 0.003 4.344 4.340 0.002 0.000 0.208 175 L C 2.728 179.624 176.870 0.043 0.000 1.085 175 L CA 0.334 55.156 54.840 -0.031 0.000 0.755 175 L CB -0.406 41.614 42.059 -0.065 0.000 0.904 175 L HN 0.205 8.435 8.230 -0.000 0.000 0.435 176 L N 0.267 121.515 121.223 0.042 0.000 1.990 176 L HA -0.257 4.084 4.340 0.002 0.000 0.213 176 L C 2.727 179.673 176.870 0.128 0.000 1.072 176 L CA 2.116 57.012 54.840 0.093 0.000 0.755 176 L CB -0.547 41.548 42.059 0.059 0.000 0.889 176 L HN 0.194 8.424 8.230 -0.000 0.000 0.432 177 A N -0.761 122.141 122.820 0.137 0.000 1.908 177 A HA -0.209 4.112 4.320 0.002 0.000 0.218 177 A C 2.439 180.148 177.584 0.208 0.000 1.181 177 A CA 2.090 54.248 52.037 0.201 0.000 0.627 177 A CB -1.253 17.934 19.000 0.312 0.000 0.818 177 A HN 0.603 8.753 8.150 -0.000 0.000 0.445 178 A N -1.554 121.354 122.820 0.148 0.000 1.883 178 A HA -0.167 4.154 4.320 0.002 0.000 0.217 178 A C 2.173 179.872 177.584 0.192 0.000 1.186 178 A CA 1.812 53.931 52.037 0.136 0.000 0.624 178 A CB -0.891 18.147 19.000 0.064 0.000 0.822 178 A HN 0.692 8.842 8.150 -0.000 0.000 0.444 179 Y N 1.120 121.439 120.300 0.033 0.000 2.274 179 Y HA -0.219 4.332 4.550 0.002 0.000 0.290 179 Y C 2.417 178.303 175.900 -0.023 0.000 1.145 179 Y CA 1.866 59.975 58.100 0.016 0.000 1.203 179 Y CB -0.431 38.044 38.460 0.025 0.000 0.984 179 Y HN 0.464 8.744 8.280 -0.000 0.000 0.533 180 R N -0.910 119.523 120.500 -0.112 0.000 2.193 180 R HA -0.141 4.200 4.340 0.002 0.000 0.229 180 R C 1.008 176.957 176.300 -0.586 0.000 1.110 180 R CA 1.967 57.851 56.100 -0.361 0.000 0.988 180 R CB -0.908 29.189 30.300 -0.339 0.000 0.871 180 R HN 0.285 8.555 8.270 -0.000 0.000 0.458 181 F N -0.592 119.288 119.950 -0.117 0.000 2.717 181 F HA 0.282 4.810 4.527 0.002 0.000 0.295 181 F C 1.590 177.313 175.800 -0.127 0.000 1.117 181 F CA -0.136 57.790 58.000 -0.123 0.000 1.361 181 F CB 0.131 39.056 39.000 -0.125 0.000 1.112 181 F HN -0.099 8.201 8.300 -0.000 0.000 0.594 182 L N 0.181 121.416 121.223 0.021 0.000 2.093 182 L HA -0.149 4.192 4.340 0.002 0.000 0.208 182 L C 1.759 178.563 176.870 -0.110 0.000 1.085 182 L CA 1.206 56.050 54.840 0.007 0.000 0.755 182 L CB -0.360 41.780 42.059 0.136 0.000 0.904 182 L HN 0.174 8.404 8.230 -0.000 0.000 0.435 183 I N -4.165 116.211 120.570 -0.324 0.000 3.928 183 I HA 0.166 4.337 4.170 0.002 0.000 0.335 183 I C 0.466 176.438 176.117 -0.242 0.000 1.325 183 I CA -0.388 60.721 61.300 -0.318 0.000 1.107 183 I CB -0.592 37.103 38.000 -0.509 0.000 1.014 183 I HN -0.084 8.126 8.210 -0.000 0.000 0.400 184 D N 1.851 122.126 120.400 -0.209 0.000 2.371 184 D HA 0.018 4.659 4.640 0.002 0.000 0.256 184 D C 1.471 177.696 176.300 -0.126 0.000 1.193 184 D CA 0.627 54.521 54.000 -0.177 0.000 0.881 184 D CB 1.377 42.075 40.800 -0.171 0.000 1.143 184 D HN 0.316 8.686 8.370 -0.000 0.000 0.473 185 S N 3.979 119.603 115.700 -0.126 0.000 2.500 185 S HA -0.118 4.353 4.470 0.002 0.000 0.239 185 S C 1.425 175.948 174.600 -0.129 0.000 0.989 185 S CA 0.594 58.731 58.200 -0.105 0.000 0.951 185 S CB 0.020 63.168 63.200 -0.087 0.000 0.759 185 S HN 0.524 8.834 8.310 -0.000 0.000 0.523 186 R N 0.568 120.965 120.500 -0.172 0.000 2.280 186 R HA 0.262 4.603 4.340 0.002 0.000 0.195 186 R C -0.141 176.034 176.300 -0.209 0.000 0.935 186 R CA 0.489 56.406 56.100 -0.305 0.000 1.033 186 R CB -0.094 29.965 30.300 -0.402 0.000 0.964 186 R HN 0.473 8.743 8.270 -0.000 0.000 0.489 187 D N 0.280 120.624 120.400 -0.095 0.000 2.280 187 D HA 0.014 4.655 4.640 0.002 0.000 0.243 187 D C 0.904 177.185 176.300 -0.032 0.000 1.129 187 D CA -0.090 53.893 54.000 -0.028 0.000 0.848 187 D CB 1.327 42.157 40.800 0.049 0.000 1.107 187 D HN 0.040 8.410 8.370 -0.000 0.000 0.471 188 T N 0.260 114.800 114.554 -0.023 0.000 3.022 188 T HA 0.072 4.423 4.350 0.002 0.000 0.250 188 T C 0.772 175.469 174.700 -0.006 0.000 1.060 188 T CA -0.169 61.922 62.100 -0.015 0.000 1.013 188 T CB 0.172 69.035 68.868 -0.008 0.000 0.982 188 T HN 0.225 8.465 8.240 -0.000 0.000 0.508 189 E N 1.877 122.073 120.200 -0.006 0.000 2.296 189 E HA 0.177 4.528 4.350 0.002 0.000 0.196 189 E C 1.200 177.797 176.600 -0.005 0.000 1.143 189 E CA -0.048 56.348 56.400 -0.007 0.000 1.145 189 E CB -0.336 29.354 29.700 -0.016 0.000 1.215 189 E HN 0.493 8.853 8.360 -0.000 0.000 0.447 190 T N 0.957 115.513 114.554 0.002 0.000 2.684 190 T HA -0.149 4.202 4.350 0.002 0.000 0.267 190 T C 1.181 175.890 174.700 0.015 0.000 1.036 190 T CA 1.347 63.453 62.100 0.011 0.000 1.148 190 T CB 0.041 68.917 68.868 0.013 0.000 0.863 190 T HN 0.180 8.420 8.240 -0.000 0.000 0.436 191 D N 0.683 121.091 120.400 0.013 0.000 2.084 191 D HA -0.072 4.569 4.640 0.002 0.000 0.194 191 D C 2.383 178.691 176.300 0.014 0.000 0.990 191 D CA 1.151 55.161 54.000 0.017 0.000 0.826 191 D CB -0.711 40.098 40.800 0.015 0.000 0.971 191 D HN 0.253 8.623 8.370 -0.000 0.000 0.453 192 S N 0.004 115.708 115.700 0.007 0.000 2.372 192 S HA -0.239 4.232 4.470 0.002 0.000 0.227 192 S C 1.931 176.529 174.600 -0.003 0.000 1.044 192 S CA 1.359 59.560 58.200 0.001 0.000 1.050 192 S CB 0.015 63.212 63.200 -0.005 0.000 0.901 192 S HN 0.182 8.492 8.310 -0.000 0.000 0.447 193 R N 0.141 120.635 120.500 -0.010 0.000 2.070 193 R HA 0.013 4.354 4.340 0.002 0.000 0.233 193 R C 2.492 178.794 176.300 0.004 0.000 1.137 193 R CA 1.677 57.767 56.100 -0.017 0.000 0.945 193 R CB -0.688 29.601 30.300 -0.019 0.000 0.845 193 R HN 0.416 8.686 8.270 -0.000 0.000 0.430 194 L N 0.939 122.174 121.223 0.019 0.000 2.079 194 L HA -0.215 4.126 4.340 0.002 0.000 0.210 194 L C 1.624 178.516 176.870 0.037 0.000 1.081 194 L CA 1.121 55.980 54.840 0.032 0.000 0.752 194 L CB -0.468 41.615 42.059 0.041 0.000 0.896 194 L HN 0.165 8.395 8.230 -0.000 0.000 0.433 195 D N -0.078 120.340 120.400 0.031 0.000 2.310 195 D HA -0.102 4.539 4.640 0.002 0.000 0.212 195 D C 1.916 178.238 176.300 0.037 0.000 0.965 195 D CA 1.222 55.243 54.000 0.035 0.000 0.879 195 D CB -0.111 40.705 40.800 0.027 0.000 0.921 195 D HN 0.360 8.730 8.370 -0.000 0.000 0.510 196 G N -0.529 108.288 108.800 0.027 0.000 3.189 196 G HA2 0.141 4.102 3.960 0.002 0.000 0.225 196 G HA3 0.141 4.102 3.960 0.002 0.000 0.225 196 G C 1.012 175.936 174.900 0.039 0.000 1.159 196 G CA -0.158 44.958 45.100 0.027 0.000 0.763 196 G HN 0.234 8.524 8.290 -0.000 0.000 0.549 197 L N 0.110 121.361 121.223 0.047 0.000 2.959 197 L HA 0.234 4.575 4.340 0.002 0.000 0.259 197 L C 1.773 178.702 176.870 0.098 0.000 1.185 197 L CA -0.046 54.827 54.840 0.054 0.000 0.998 197 L CB 0.875 42.944 42.059 0.017 0.000 1.337 197 L HN 0.015 8.245 8.230 -0.000 0.000 0.555 198 S N -0.380 115.391 115.700 0.119 0.000 2.562 198 S HA -0.016 4.455 4.470 0.002 0.000 0.221 198 S C 0.735 175.448 174.600 0.188 0.000 0.975 198 S CA 0.005 58.304 58.200 0.164 0.000 0.918 198 S CB -0.286 62.982 63.200 0.112 0.000 0.772 198 S HN 0.530 8.840 8.310 -0.000 0.000 0.531 199 D N 1.058 121.566 120.400 0.180 0.000 2.414 199 D HA 0.268 4.909 4.640 0.002 0.000 0.259 199 D C 1.179 177.605 176.300 0.209 0.000 1.269 199 D CA -0.112 53.995 54.000 0.178 0.000 1.028 199 D CB 0.853 41.772 40.800 0.199 0.000 1.093 199 D HN 0.044 8.414 8.370 -0.000 0.000 0.545 200 A N -0.955 121.944 122.820 0.132 0.000 2.119 200 A HA 0.014 4.335 4.320 0.002 0.000 0.217 200 A C 1.535 179.020 177.584 -0.166 0.000 1.153 200 A CA 0.719 52.715 52.037 -0.068 0.000 0.692 200 A CB -0.570 18.268 19.000 -0.270 0.000 0.799 200 A HN 0.492 8.642 8.150 -0.000 0.000 0.458 201 F N -1.713 118.334 119.950 0.161 0.000 2.537 201 F HA 0.095 4.623 4.527 0.002 0.000 0.277 201 F C 2.574 178.521 175.800 0.244 0.000 1.013 201 F CA 0.765 58.866 58.000 0.169 0.000 1.332 201 F CB -0.475 38.616 39.000 0.152 0.000 1.108 201 F HN 0.039 8.339 8.300 -0.000 0.000 0.679 202 S N 0.475 116.409 115.700 0.391 0.000 2.389 202 S HA -0.200 4.271 4.470 0.002 0.000 0.229 202 S C 1.986 176.746 174.600 0.267 0.000 1.048 202 S CA 2.170 60.532 58.200 0.269 0.000 1.117 202 S CB -0.572 62.721 63.200 0.154 0.000 1.020 202 S HN 0.123 8.433 8.310 -0.000 0.000 0.430 203 V N -0.835 119.148 119.914 0.115 0.000 2.908 203 V HA 0.199 4.320 4.120 0.002 0.000 0.240 203 V C 1.305 177.328 176.094 -0.118 0.000 1.117 203 V CA 0.646 62.917 62.300 -0.048 0.000 1.133 203 V CB -0.526 31.076 31.823 -0.369 0.000 0.857 203 V HN 0.381 8.571 8.190 -0.000 0.000 0.478 204 F N 0.485 120.435 119.950 0.001 0.000 2.805 204 F HA 0.123 4.651 4.527 0.002 0.000 0.301 204 F C 2.130 177.716 175.800 -0.356 0.000 1.196 204 F CA 0.444 58.353 58.000 -0.151 0.000 1.439 204 F CB -0.211 38.711 39.000 -0.129 0.000 1.117 204 F HN -0.038 8.262 8.300 -0.000 0.000 0.581 205 R N -0.604 119.704 120.500 -0.320 0.000 2.297 205 R HA 0.050 4.391 4.340 0.002 0.000 0.197 205 R C 0.368 176.045 176.300 -1.039 0.000 0.943 205 R CA 0.050 55.734 56.100 -0.693 0.000 1.038 205 R CB -0.763 29.093 30.300 -0.740 0.000 0.957 205 R HN 0.237 8.507 8.270 -0.000 0.000 0.484 206 C N 1.863 120.725 119.300 -0.730 0.000 2.576 206 C HA 0.165 4.626 4.460 0.002 0.000 0.401 206 C C 1.130 175.853 174.990 -0.444 0.000 1.314 206 C CA -0.357 58.406 59.018 -0.424 0.000 1.855 206 C CB -0.320 27.390 27.740 -0.050 0.000 2.537 206 C HN 0.441 8.671 8.230 -0.000 0.000 0.578 207 H N 2.989 122.004 119.070 -0.090 0.000 2.581 207 H HA 0.168 4.725 4.556 0.002 0.000 0.275 207 H C 1.158 176.464 175.328 -0.036 0.000 1.126 207 H CA 0.568 56.584 56.048 -0.053 0.000 1.097 207 H CB 0.209 29.940 29.762 -0.052 0.000 1.626 207 H HN 0.900 9.180 8.280 -0.000 0.000 0.565 208 S N 0.645 116.365 115.700 0.033 0.000 3.641 208 S HA -0.169 4.302 4.470 0.002 0.000 0.346 208 S C 1.565 176.175 174.600 0.016 0.000 1.074 208 S CA 0.531 58.738 58.200 0.013 0.000 1.026 208 S CB -1.983 61.221 63.200 0.008 0.000 0.908 208 S HN 0.450 8.760 8.310 -0.000 0.000 0.479 209 I N -0.188 120.393 120.570 0.017 0.000 2.286 209 I HA -0.139 4.032 4.170 0.002 0.000 0.248 209 I C 1.960 178.066 176.117 -0.017 0.000 1.115 209 I CA 1.769 63.068 61.300 -0.001 0.000 1.392 209 I CB -0.159 37.827 38.000 -0.023 0.000 1.065 209 I HN 0.528 8.738 8.210 -0.000 0.000 0.418 210 M N -0.728 118.858 119.600 -0.024 0.000 2.976 210 M HA -0.272 4.209 4.480 0.002 0.000 0.206 210 M C 0.941 177.220 176.300 -0.035 0.000 0.591 210 M CA 0.164 55.447 55.300 -0.027 0.000 0.777 210 M CB -1.341 31.247 32.600 -0.019 0.000 2.782 210 M HN 0.246 8.536 8.290 -0.000 0.000 0.331 211 N N 0.330 118.998 118.700 -0.053 0.000 2.149 211 N HA -0.139 4.602 4.740 0.002 0.000 0.188 211 N C 1.512 176.988 175.510 -0.057 0.000 1.019 211 N CA 2.121 55.135 53.050 -0.060 0.000 0.857 211 N CB -0.255 38.169 38.487 -0.105 0.000 0.997 211 N HN 0.855 9.235 8.380 -0.000 0.000 0.426 212 C N -0.209 119.054 119.300 -0.062 0.000 2.393 212 C HA -0.075 4.386 4.460 0.002 0.000 0.276 212 C C 2.773 177.737 174.990 -0.044 0.000 1.215 212 C CA 0.398 59.381 59.018 -0.058 0.000 1.743 212 C CB -1.401 26.309 27.740 -0.050 0.000 2.044 212 C HN 0.155 8.385 8.230 -0.000 0.000 0.464 213 V N 2.965 122.858 119.914 -0.035 0.000 2.295 213 V HA -0.194 3.927 4.120 0.002 0.000 0.246 213 V C 2.935 179.014 176.094 -0.025 0.000 1.049 213 V CA 2.629 64.912 62.300 -0.028 0.000 1.024 213 V CB -1.310 30.499 31.823 -0.023 0.000 0.648 213 V HN 0.817 9.007 8.190 -0.000 0.000 0.447 214 S N 0.783 116.469 115.700 -0.023 0.000 2.507 214 S HA -0.092 4.379 4.470 0.002 0.000 0.235 214 S C 1.681 176.269 174.600 -0.019 0.000 0.988 214 S CA 1.373 59.562 58.200 -0.018 0.000 0.944 214 S CB -0.230 62.963 63.200 -0.012 0.000 0.762 214 S HN 0.716 9.026 8.310 -0.000 0.000 0.526 215 V N -2.306 117.592 119.914 -0.026 0.000 3.635 215 V HA 0.386 4.507 4.120 0.002 0.000 0.266 215 V C 1.103 177.176 176.094 -0.035 0.000 1.316 215 V CA -0.308 61.975 62.300 -0.028 0.000 1.060 215 V CB -0.941 30.863 31.823 -0.031 0.000 0.820 215 V HN 0.538 8.728 8.190 -0.000 0.000 0.447 216 C N 5.371 124.649 119.300 -0.036 0.000 2.616 216 C HA 0.288 4.749 4.460 0.002 0.000 0.402 216 C C 0.323 175.292 174.990 -0.036 0.000 1.436 216 C CA -0.226 58.768 59.018 -0.039 0.000 1.521 216 C CB 0.294 28.013 27.740 -0.035 0.000 2.413 216 C HN 0.598 8.828 8.230 -0.000 0.000 0.617 217 P HA -0.069 4.351 4.420 -0.000 0.000 0.228 217 P C 0.526 177.804 177.300 -0.036 0.000 1.151 217 P CA 1.393 64.472 63.100 -0.035 0.000 0.770 217 P CB 0.039 31.717 31.700 -0.037 0.000 0.786 218 K N -0.834 119.541 120.400 -0.041 0.000 2.455 218 K HA 0.277 4.598 4.320 0.002 0.000 0.206 218 K C 1.187 177.761 176.600 -0.044 0.000 1.027 218 K CA 0.136 56.395 56.287 -0.047 0.000 1.113 218 K CB -0.307 32.156 32.500 -0.063 0.000 0.850 218 K HN 0.150 8.400 8.250 -0.000 0.000 0.503 219 G N 2.113 110.892 108.800 -0.034 0.000 2.258 219 G HA2 -0.292 3.669 3.960 0.002 0.000 0.274 219 G HA3 -0.292 3.669 3.960 0.002 0.000 0.274 219 G C 0.253 175.138 174.900 -0.025 0.000 1.021 219 G CA 0.454 45.538 45.100 -0.026 0.000 0.798 219 G HN 0.263 8.553 8.290 -0.000 0.000 0.507 220 L N -0.903 120.303 121.223 -0.029 0.000 2.479 220 L HA 0.494 4.835 4.340 0.002 0.000 0.248 220 L C 0.802 177.665 176.870 -0.011 0.000 1.205 220 L CA -0.750 54.078 54.840 -0.020 0.000 0.817 220 L CB 0.478 42.522 42.059 -0.025 0.000 1.162 220 L HN 0.163 8.393 8.230 -0.000 0.000 0.486 221 N N -0.180 118.521 118.700 0.001 0.000 2.690 221 N HA 0.276 5.017 4.740 0.002 0.000 0.255 221 N C -2.296 173.213 175.510 -0.003 0.000 1.195 221 N CA -1.778 51.269 53.050 -0.004 0.000 0.790 221 N CB 1.405 39.892 38.487 -0.001 0.000 1.216 221 N HN 0.103 8.483 8.380 -0.000 0.000 0.528 222 P HA -0.044 4.376 4.420 -0.000 0.000 0.218 222 P C 1.085 178.362 177.300 -0.040 0.000 1.149 222 P CA 1.167 64.258 63.100 -0.016 0.000 0.817 222 P CB 0.381 32.067 31.700 -0.024 0.000 0.785 223 T N -0.377 114.150 114.554 -0.045 0.000 2.607 223 T HA -0.230 4.121 4.350 0.002 0.000 0.267 223 T C 1.898 176.526 174.700 -0.121 0.000 1.049 223 T CA 1.425 63.485 62.100 -0.067 0.000 1.162 223 T CB -0.584 68.251 68.868 -0.055 0.000 0.863 223 T HN 0.126 8.366 8.240 -0.000 0.000 0.424 224 R N 0.731 121.160 120.500 -0.119 0.000 2.096 224 R HA -0.067 4.274 4.340 0.002 0.000 0.235 224 R C 2.665 178.789 176.300 -0.294 0.000 1.127 224 R CA 1.390 57.364 56.100 -0.210 0.000 0.968 224 R CB -0.484 29.756 30.300 -0.100 0.000 0.861 224 R HN 0.415 8.685 8.270 -0.000 0.000 0.440 225 A N 1.101 123.845 122.820 -0.127 0.000 1.877 225 A HA -0.160 4.161 4.320 0.002 0.000 0.216 225 A C 2.143 179.527 177.584 -0.334 0.000 1.186 225 A CA 1.406 53.345 52.037 -0.163 0.000 0.620 225 A CB -0.498 18.526 19.000 0.041 0.000 0.822 225 A HN 0.322 8.472 8.150 -0.000 0.000 0.443 226 I N -0.301 120.144 120.570 -0.208 0.000 2.226 226 I HA -0.205 3.966 4.170 0.002 0.000 0.245 226 I C 2.737 178.702 176.117 -0.253 0.000 1.100 226 I CA 1.003 62.186 61.300 -0.195 0.000 1.374 226 I CB -0.805 37.127 38.000 -0.113 0.000 1.057 226 I HN 0.409 8.619 8.210 -0.000 0.000 0.413 227 G N 0.626 109.255 108.800 -0.285 0.000 2.513 227 G HA2 -0.300 3.661 3.960 0.002 0.000 0.219 227 G HA3 -0.300 3.661 3.960 0.002 0.000 0.219 227 G C 1.499 176.201 174.900 -0.329 0.000 1.160 227 G CA 1.076 45.988 45.100 -0.313 0.000 0.767 227 G HN 0.384 8.674 8.290 -0.000 0.000 0.571 228 H N 0.379 119.248 119.070 -0.335 0.000 2.389 228 H HA 0.059 4.616 4.556 0.002 0.000 0.299 228 H C 2.768 177.899 175.328 -0.329 0.000 1.081 228 H CA 1.017 56.830 56.048 -0.392 0.000 1.345 228 H CB -0.220 29.082 29.762 -0.767 0.000 1.393 228 H HN 0.366 8.646 8.280 -0.000 0.000 0.520 229 I N 0.832 121.238 120.570 -0.274 0.000 2.179 229 I HA -0.264 3.907 4.170 0.002 0.000 0.242 229 I C 2.441 178.487 176.117 -0.118 0.000 1.088 229 I CA 1.237 62.450 61.300 -0.146 0.000 1.357 229 I CB -0.200 37.710 38.000 -0.149 0.000 1.051 229 I HN 0.138 8.348 8.210 -0.000 0.000 0.409 230 K N 0.462 120.760 120.400 -0.171 0.000 2.009 230 K HA -0.165 4.156 4.320 0.002 0.000 0.210 230 K C 2.380 178.987 176.600 0.011 0.000 1.049 230 K CA 1.710 57.924 56.287 -0.122 0.000 0.929 230 K CB -0.269 32.170 32.500 -0.102 0.000 0.714 230 K HN 0.112 8.362 8.250 -0.000 0.000 0.440 231 S N 1.019 116.718 115.700 -0.001 0.000 2.380 231 S HA -0.219 4.252 4.470 0.002 0.000 0.229 231 S C 1.912 176.545 174.600 0.054 0.000 1.050 231 S CA 1.781 60.003 58.200 0.038 0.000 1.100 231 S CB -0.201 63.031 63.200 0.053 0.000 0.984 231 S HN 0.253 8.563 8.310 -0.000 0.000 0.434 232 M N 0.232 119.863 119.600 0.053 0.000 2.213 232 M HA -0.081 4.400 4.480 0.002 0.000 0.263 232 M C 1.976 178.314 176.300 0.064 0.000 1.062 232 M CA 1.190 56.528 55.300 0.063 0.000 1.105 232 M CB -0.479 32.168 32.600 0.080 0.000 1.385 232 M HN 0.275 8.565 8.290 -0.000 0.000 0.417 233 L N -0.199 121.065 121.223 0.068 0.000 2.109 233 L HA -0.156 4.185 4.340 0.002 0.000 0.207 233 L C 2.266 179.210 176.870 0.122 0.000 1.086 233 L CA 0.866 55.769 54.840 0.105 0.000 0.760 233 L CB -0.398 41.747 42.059 0.143 0.000 0.910 233 L HN 0.304 8.534 8.230 -0.000 0.000 0.437 234 L N -1.007 120.288 121.223 0.120 0.000 2.027 234 L HA -0.204 4.137 4.340 0.002 0.000 0.206 234 L C 2.627 179.533 176.870 0.060 0.000 1.074 234 L CA 0.829 55.722 54.840 0.088 0.000 0.745 234 L CB -0.503 41.604 42.059 0.080 0.000 0.898 234 L HN 0.234 8.464 8.230 -0.000 0.000 0.433 235 Q N 0.473 120.307 119.800 0.057 0.000 2.197 235 Q HA -0.261 4.080 4.340 0.002 0.000 0.207 235 Q C 2.202 178.227 176.000 0.042 0.000 0.984 235 Q CA 1.897 57.727 55.803 0.045 0.000 0.869 235 Q CB -0.104 28.662 28.738 0.047 0.000 0.906 235 Q HN 0.316 8.586 8.270 -0.000 0.000 0.426 236 R N -1.348 119.181 120.500 0.049 0.000 2.123 236 R HA 0.149 4.490 4.340 0.002 0.000 0.209 236 R C 0.606 176.931 176.300 0.041 0.000 1.078 236 R CA 1.146 57.272 56.100 0.043 0.000 1.028 236 R CB 0.230 30.558 30.300 0.046 0.000 0.939 236 R HN 0.271 8.541 8.270 -0.000 0.000 0.463 237 N N -0.371 118.358 118.700 0.049 0.000 2.204 237 N HA 0.232 4.973 4.740 0.002 0.000 0.219 237 N C -0.866 174.661 175.510 0.028 0.000 1.151 237 N CA -0.243 52.832 53.050 0.042 0.000 0.867 237 N CB 1.733 40.254 38.487 0.056 0.000 1.043 237 N HN 0.147 8.527 8.380 -0.000 0.000 0.516 238 A N 0.000 122.836 122.820 0.027 0.000 2.254 238 A HA 0.000 4.321 4.320 0.002 0.000 0.244 238 A CA 0.000 52.046 52.037 0.015 0.000 0.836 238 A CB 0.000 19.009 19.000 0.015 0.000 0.831 238 A HN 0.000 8.150 8.150 -0.000 0.000 0.486