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 3fms_1_A DATA FIRST_RESID 6 DATA SEQUENCE VDLVRTKVYN LLKEXILNHE LKLGEKLNVR ELSEKLGISF TPVRDALLQL DATA SEQUENCE ATEGLVKVVP RVGFFVTDVD EKFIRETIET RIXXEVFCLE NYFDKIAGSE DATA SEQUENCE ELLEIKGEID DVAASAAREI FDDSDERLHK LFIRASGNEL IISLYEKIWD DATA SEQUENCE RIDLVRHLNE RYVVSNREHK ELIERIISGD KEGAIEKLKE HLKNVEAETI DATA SEQUENCE KNLYTYERS 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 6 V HA 0.000 4.126 4.120 0.009 0.000 0.244 6 V C 0.000 176.102 176.094 0.013 0.000 1.182 6 V CA 0.000 62.306 62.300 0.010 0.000 1.235 6 V CB 0.000 31.829 31.823 0.009 0.000 1.184 7 D N 0.187 120.595 120.400 0.014 0.000 2.315 7 D HA -0.180 4.472 4.640 0.021 0.000 0.211 7 D C 1.850 178.165 176.300 0.026 0.000 0.977 7 D CA 3.232 57.243 54.000 0.019 0.000 0.894 7 D CB -0.234 40.575 40.800 0.016 0.000 0.910 7 D HN 0.211 8.588 8.370 0.011 0.000 0.490 8 L N -1.248 119.987 121.223 0.020 0.000 2.084 8 L HA -0.133 4.222 4.340 0.025 0.000 0.202 8 L C 2.242 179.127 176.870 0.024 0.000 1.074 8 L CA 2.955 57.807 54.840 0.021 0.000 0.757 8 L CB -0.397 41.669 42.059 0.012 0.000 0.918 8 L HN -0.512 7.728 8.230 0.015 -0.001 0.444 9 V N -1.195 118.729 119.914 0.017 0.000 2.407 9 V HA -0.530 3.597 4.120 0.012 0.000 0.248 9 V C 2.039 178.148 176.094 0.025 0.000 1.055 9 V CA 3.919 66.227 62.300 0.014 0.000 1.049 9 V CB -0.520 31.307 31.823 0.006 0.000 0.662 9 V HN -0.397 7.801 8.190 0.013 0.000 0.455 10 R N -1.042 119.477 120.500 0.031 0.000 2.092 10 R HA -0.353 4.009 4.340 0.035 0.000 0.231 10 R C 1.959 178.315 176.300 0.093 0.000 1.119 10 R CA 4.191 60.319 56.100 0.045 0.000 0.970 10 R CB -0.150 30.170 30.300 0.034 0.000 0.864 10 R HN -0.358 7.929 8.270 0.027 0.000 0.440 11 T N 1.714 116.322 114.554 0.091 0.000 2.821 11 T HA -0.311 4.166 4.350 0.212 0.000 0.267 11 T C 1.724 176.504 174.700 0.133 0.000 1.046 11 T CA 4.761 66.949 62.100 0.147 0.000 1.139 11 T CB -0.284 68.651 68.868 0.112 0.000 0.871 11 T HN -0.481 7.792 8.240 0.067 0.007 0.454 12 K N 2.012 122.452 120.400 0.066 0.000 2.057 12 K HA -0.284 4.048 4.320 0.020 0.000 0.206 12 K C 2.349 178.952 176.600 0.005 0.000 1.050 12 K CA 3.593 59.895 56.287 0.026 0.000 0.935 12 K CB -0.103 32.404 32.500 0.011 0.000 0.715 12 K HN -0.667 7.615 8.250 0.054 0.000 0.439 13 V N 0.155 120.080 119.914 0.019 0.000 2.295 13 V HA -0.545 3.556 4.120 -0.030 0.000 0.246 13 V C 1.574 177.660 176.094 -0.014 0.000 1.049 13 V CA 4.444 66.740 62.300 -0.007 0.000 1.024 13 V CB -0.075 31.742 31.823 -0.009 0.000 0.648 13 V HN -0.143 8.065 8.190 0.031 0.000 0.447 14 Y N -0.119 120.156 120.300 -0.041 0.000 2.128 14 Y HA -0.579 3.938 4.550 -0.054 0.000 0.284 14 Y C 1.539 177.405 175.900 -0.055 0.000 1.154 14 Y CA 3.934 62.007 58.100 -0.046 0.000 1.149 14 Y CB -0.152 38.290 38.460 -0.030 0.000 0.976 14 Y HN 0.439 8.826 8.280 0.178 0.000 0.505 15 N N -0.700 117.811 118.700 -0.316 0.000 2.104 15 N HA -0.371 4.030 4.740 -0.566 0.000 0.190 15 N C 2.111 177.429 175.510 -0.320 0.000 1.024 15 N CA 3.222 56.054 53.050 -0.364 0.000 0.853 15 N CB -0.492 37.938 38.487 -0.096 0.000 1.008 15 N HN 0.003 8.261 8.380 -0.026 0.107 0.424 16 L N 0.745 121.844 121.223 -0.207 0.000 2.046 16 L HA -0.182 4.072 4.340 -0.143 0.000 0.208 16 L C 1.020 177.770 176.870 -0.199 0.000 1.077 16 L CA 2.681 57.424 54.840 -0.162 0.000 0.747 16 L CB -0.159 41.838 42.059 -0.103 0.000 0.896 16 L HN -0.527 7.608 8.230 -0.158 0.000 0.432 17 L N -3.744 117.339 121.223 -0.233 0.000 2.046 17 L HA -0.424 3.823 4.340 -0.156 0.000 0.208 17 L C 2.251 178.957 176.870 -0.274 0.000 1.077 17 L CA 2.856 57.568 54.840 -0.213 0.000 0.747 17 L CB -0.352 41.607 42.059 -0.166 0.000 0.896 17 L HN -0.388 7.702 8.230 -0.235 0.000 0.432 18 K N -0.982 119.143 120.400 -0.459 0.000 2.026 18 K HA -0.390 3.717 4.320 -0.355 0.000 0.208 18 K C 0.428 176.846 176.600 -0.303 0.000 1.048 18 K CA 2.664 58.689 56.287 -0.438 0.000 0.929 18 K CB 0.096 32.204 32.500 -0.652 0.000 0.713 18 K HN -0.137 7.730 8.250 -0.637 0.000 0.439 22 L N 0.382 121.516 121.223 -0.148 0.000 2.201 22 L HA -0.282 4.056 4.340 -0.003 0.000 0.212 22 L C 0.686 177.457 176.870 -0.165 0.000 1.105 22 L CA 2.214 56.992 54.840 -0.102 0.000 0.775 22 L CB -0.075 41.934 42.059 -0.083 0.000 0.913 22 L HN -0.029 8.105 8.230 -0.161 0.000 0.440 23 N N -4.110 114.525 118.700 -0.109 0.000 2.461 23 N HA -0.034 4.727 4.740 0.035 0.000 0.188 23 N C -0.288 175.268 175.510 0.077 0.000 1.134 23 N CA 0.302 53.344 53.050 -0.013 0.000 0.878 23 N CB 0.035 38.520 38.487 -0.003 0.000 0.972 23 N HN -0.571 7.749 8.380 -0.100 0.000 0.456 24 H N -5.053 114.042 119.070 0.042 0.000 2.992 24 H HA -0.305 4.353 4.556 0.070 -0.061 0.266 24 H C -0.630 174.705 175.328 0.013 0.000 1.200 24 H CA 1.198 57.266 56.048 0.034 0.000 1.135 24 H CB -2.909 26.847 29.762 -0.010 0.000 1.282 24 H HN -0.250 7.702 8.280 -0.235 0.187 0.351 25 E N -3.119 117.123 120.200 0.070 0.000 2.208 25 E HA -0.215 4.163 4.350 0.046 0.000 0.193 25 E C -0.774 175.840 176.600 0.023 0.000 0.988 25 E CA 1.958 58.380 56.400 0.037 0.000 0.828 25 E CB 0.615 30.319 29.700 0.006 0.000 0.763 25 E HN 0.298 8.625 8.360 0.036 0.055 0.478 26 L N -2.132 119.099 121.223 0.013 0.000 2.362 26 L HA 0.166 4.636 4.340 0.008 -0.126 0.275 26 L C -1.177 175.709 176.870 0.027 0.000 0.998 26 L CA -1.048 53.795 54.840 0.005 0.000 0.820 26 L CB 2.411 44.453 42.059 -0.027 0.000 1.270 26 L HN -0.748 7.486 8.230 0.006 0.000 0.415 27 K N 1.743 122.166 120.400 0.040 0.000 2.126 27 K HA 0.135 4.503 4.320 0.080 0.000 0.257 27 K C -0.096 176.522 176.600 0.030 0.000 1.007 27 K CA -0.491 55.829 56.287 0.055 0.000 0.928 27 K CB 1.270 33.807 32.500 0.062 0.000 1.013 27 K HN 0.284 8.895 8.250 0.035 -0.340 0.473 28 L N 0.341 121.579 121.223 0.025 0.000 2.455 28 L HA -0.379 3.934 4.340 -0.045 0.000 0.272 28 L C 0.892 177.770 176.870 0.013 0.000 1.174 28 L CA 1.119 55.949 54.840 -0.017 0.000 0.869 28 L CB -0.689 41.347 42.059 -0.039 0.000 1.130 28 L HN -0.406 7.853 8.230 0.049 0.000 0.474 29 G N 1.440 110.254 108.800 0.024 0.000 2.217 29 G HA2 -0.392 3.711 3.960 0.073 0.000 0.246 29 G HA3 -0.392 3.601 3.960 0.055 0.000 0.246 29 G C -0.556 174.461 174.900 0.194 0.000 0.990 29 G CA -0.443 44.705 45.100 0.080 0.000 0.627 29 G HN 0.111 8.311 8.290 0.007 0.094 0.522 30 E N 1.079 121.359 120.200 0.134 0.000 2.373 30 E HA -0.006 4.430 4.350 0.143 0.000 0.267 30 E C -0.939 175.713 176.600 0.086 0.000 1.032 30 E CA -0.567 55.904 56.400 0.118 0.000 0.889 30 E CB 1.139 30.867 29.700 0.046 0.000 0.984 30 E HN -0.676 7.676 8.360 0.084 0.058 0.425 31 K N 5.269 125.642 120.400 -0.046 0.000 2.350 31 K HA -0.125 3.779 4.320 -0.880 -0.112 0.279 31 K C -0.304 176.133 176.600 -0.272 0.000 1.027 31 K CA 0.751 56.738 56.287 -0.500 0.000 0.969 31 K CB 0.379 32.491 32.500 -0.646 0.000 0.954 31 K HN 0.252 8.509 8.250 0.012 0.000 0.474 32 L N 4.852 125.919 121.223 -0.260 0.000 2.350 32 L HA 0.077 4.354 4.340 -0.104 0.000 0.275 32 L C -1.027 175.772 176.870 -0.117 0.000 1.099 32 L CA -0.608 54.156 54.840 -0.127 0.000 0.808 32 L CB 0.894 42.913 42.059 -0.068 0.000 1.149 32 L HN 0.339 8.260 8.230 -0.332 0.109 0.442 33 N N 2.383 121.029 118.700 -0.091 0.000 2.511 33 N HA 0.118 4.802 4.740 -0.093 0.000 0.249 33 N C 0.265 175.728 175.510 -0.079 0.000 0.971 33 N CA -1.255 51.744 53.050 -0.085 0.000 0.938 33 N CB 0.630 39.072 38.487 -0.075 0.000 1.131 33 N HN 0.211 8.542 8.380 -0.082 0.000 0.505 34 V N 6.454 126.313 119.914 -0.092 0.000 2.407 34 V HA -0.518 3.548 4.120 -0.090 0.000 0.248 34 V C 1.116 177.170 176.094 -0.066 0.000 1.055 34 V CA 3.487 65.728 62.300 -0.097 0.000 1.049 34 V CB 0.130 31.881 31.823 -0.121 0.000 0.662 34 V HN 0.693 8.829 8.190 -0.089 0.000 0.455 35 R N -0.747 119.667 120.500 -0.142 0.000 2.091 35 R HA -0.484 3.941 4.340 0.141 0.000 0.238 35 R C 1.526 177.869 176.300 0.072 0.000 1.136 35 R CA 3.804 59.895 56.100 -0.015 0.000 0.959 35 R CB -0.454 29.794 30.300 -0.086 0.000 0.856 35 R HN -0.285 7.958 8.270 -0.203 -0.094 0.437 36 E N -0.428 119.775 120.200 0.005 0.000 2.051 36 E HA -0.290 4.071 4.350 0.018 0.000 0.192 36 E C 2.232 178.840 176.600 0.014 0.000 0.991 36 E CA 2.960 59.364 56.400 0.007 0.000 0.799 36 E CB -0.262 29.427 29.700 -0.019 0.000 0.748 36 E HN -0.752 7.797 8.360 -0.028 -0.206 0.449 37 L N -1.931 119.293 121.223 0.002 0.000 2.083 37 L HA -0.356 3.972 4.340 -0.019 0.000 0.209 37 L C 2.439 179.324 176.870 0.025 0.000 1.083 37 L CA 2.841 57.677 54.840 -0.006 0.000 0.752 37 L CB -0.326 41.714 42.059 -0.032 0.000 0.899 37 L HN -0.491 7.652 8.230 -0.011 0.080 0.433 38 S N -0.781 114.969 115.700 0.083 0.000 2.383 38 S HA -0.290 4.302 4.470 0.070 -0.080 0.227 38 S C 2.157 176.795 174.600 0.063 0.000 1.026 38 S CA 3.022 61.290 58.200 0.113 0.000 0.981 38 S CB -0.400 62.983 63.200 0.305 0.000 0.818 38 S HN -0.158 8.206 8.310 0.107 0.010 0.472 39 E N 1.063 121.307 120.200 0.073 0.000 2.072 39 E HA -0.278 4.091 4.350 0.032 0.000 0.191 39 E C 2.716 179.324 176.600 0.014 0.000 0.985 39 E CA 2.625 59.048 56.400 0.040 0.000 0.801 39 E CB -0.140 29.585 29.700 0.042 0.000 0.750 39 E HN -0.405 8.010 8.360 0.091 0.000 0.452 40 K N -1.184 119.222 120.400 0.009 0.000 2.097 40 K HA -0.195 4.122 4.320 -0.006 0.000 0.205 40 K C 1.750 178.344 176.600 -0.010 0.000 1.050 40 K CA 2.528 58.812 56.287 -0.005 0.000 0.938 40 K CB 0.281 32.772 32.500 -0.014 0.000 0.718 40 K HN -0.479 7.779 8.250 0.014 0.000 0.442 41 L N -4.595 116.623 121.223 -0.008 0.000 2.554 41 L HA 0.104 4.434 4.340 -0.016 0.000 0.225 41 L C 0.280 177.141 176.870 -0.015 0.000 1.104 41 L CA -0.091 54.741 54.840 -0.013 0.000 0.866 41 L CB 0.732 42.784 42.059 -0.013 0.000 1.047 41 L HN -0.587 7.643 8.230 -0.001 0.000 0.468 42 G N -1.321 107.470 108.800 -0.016 0.000 2.283 42 G HA2 -0.351 3.590 3.960 -0.032 0.000 0.280 42 G HA3 -0.351 3.593 3.960 -0.027 0.000 0.280 42 G C -0.507 174.370 174.900 -0.038 0.000 1.029 42 G CA 0.485 45.568 45.100 -0.028 0.000 0.840 42 G HN -0.505 7.733 8.290 -0.011 0.046 0.505 43 I N -0.501 120.049 120.570 -0.032 0.000 2.433 43 I HA 0.097 4.238 4.170 -0.050 0.000 0.292 43 I C -0.451 175.628 176.117 -0.064 0.000 1.001 43 I CA -2.030 59.246 61.300 -0.040 0.000 1.119 43 I CB 2.221 40.210 38.000 -0.019 0.000 1.289 43 I HN -0.848 7.325 8.210 -0.019 0.025 0.438 44 S N 5.225 120.854 115.700 -0.118 0.000 2.540 44 S HA -0.218 4.010 4.470 -0.403 0.000 0.272 44 S C 1.470 176.041 174.600 -0.049 0.000 1.357 44 S CA 1.311 59.383 58.200 -0.212 0.000 1.011 44 S CB 0.712 63.807 63.200 -0.174 0.000 0.852 44 S HN 0.292 8.536 8.310 -0.110 0.000 0.535 45 F N 0.971 120.914 119.950 -0.013 0.000 2.095 45 F HA -0.270 4.245 4.527 -0.021 0.000 0.298 45 F C 2.074 177.867 175.800 -0.012 0.000 1.104 45 F CA 3.060 61.053 58.000 -0.012 0.000 1.232 45 F CB -1.343 37.658 39.000 0.001 0.000 0.987 45 F HN 0.583 8.601 8.300 -0.470 0.000 0.475 46 T N 0.361 115.026 114.554 0.185 0.000 2.708 46 T HA -0.192 4.237 4.350 0.131 0.000 0.266 46 T C -0.806 173.933 174.700 0.065 0.000 1.037 46 T CA 6.198 68.367 62.100 0.115 0.000 1.146 46 T CB -2.053 66.863 68.868 0.080 0.000 0.865 46 T HN 0.005 8.332 8.240 0.144 0.000 0.435 47 P HA -0.225 4.205 4.420 0.016 0.000 0.215 47 P C 1.390 178.693 177.300 0.006 0.000 1.153 47 P CA 3.079 66.189 63.100 0.018 0.000 0.853 47 P CB -0.328 31.375 31.700 0.005 0.000 0.788 48 V N -1.396 118.526 119.914 0.014 0.000 2.295 48 V HA -0.592 3.506 4.120 -0.036 0.000 0.246 48 V C 1.720 177.752 176.094 -0.104 0.000 1.049 48 V CA 4.560 66.844 62.300 -0.027 0.000 1.024 48 V CB -0.389 31.438 31.823 0.006 0.000 0.648 48 V HN -0.706 7.509 8.190 0.041 0.000 0.447 49 R N -0.468 119.988 120.500 -0.073 0.000 2.083 49 R HA -0.469 3.666 4.340 -0.342 0.000 0.237 49 R C 2.036 178.283 176.300 -0.089 0.000 1.137 49 R CA 4.020 60.043 56.100 -0.128 0.000 0.951 49 R CB -0.284 30.049 30.300 0.055 0.000 0.851 49 R HN -0.142 8.128 8.270 0.001 0.000 0.434 50 D N -1.503 118.889 120.400 -0.013 0.000 2.178 50 D HA -0.213 4.448 4.640 0.035 0.000 0.202 50 D C 1.999 178.291 176.300 -0.014 0.000 0.974 50 D CA 3.097 57.103 54.000 0.010 0.000 0.841 50 D CB -0.587 40.226 40.800 0.022 0.000 0.953 50 D HN -0.179 8.193 8.370 0.003 0.000 0.478 51 A N -0.034 122.761 122.820 -0.042 0.000 1.929 51 A HA -0.245 4.067 4.320 -0.012 0.000 0.216 51 A C 1.712 179.258 177.584 -0.064 0.000 1.176 51 A CA 3.140 55.156 52.037 -0.036 0.000 0.628 51 A CB -0.310 18.672 19.000 -0.030 0.000 0.816 51 A HN -0.383 7.638 8.150 -0.050 0.100 0.444 52 L N -1.797 119.324 121.223 -0.169 0.000 2.046 52 L HA -0.441 3.801 4.340 -0.164 0.000 0.208 52 L C 2.188 179.019 176.870 -0.065 0.000 1.077 52 L CA 2.912 57.604 54.840 -0.247 0.000 0.747 52 L CB -0.302 41.297 42.059 -0.767 0.000 0.896 52 L HN -0.129 7.892 8.230 -0.218 0.079 0.432 53 L N -2.100 119.127 121.223 0.006 0.000 2.042 53 L HA -0.548 3.927 4.340 0.226 0.000 0.210 53 L C 2.304 179.223 176.870 0.081 0.000 1.076 53 L CA 3.267 58.187 54.840 0.134 0.000 0.749 53 L CB -0.631 41.511 42.059 0.138 0.000 0.893 53 L HN -0.148 8.057 8.230 -0.041 0.000 0.432 54 Q N -2.012 117.813 119.800 0.042 0.000 2.096 54 Q HA -0.376 3.986 4.340 0.036 0.000 0.204 54 Q C 2.886 178.906 176.000 0.032 0.000 0.982 54 Q CA 3.064 58.886 55.803 0.032 0.000 0.850 54 Q CB -0.108 28.641 28.738 0.018 0.000 0.901 54 Q HN -0.622 7.664 8.270 0.027 0.000 0.422 55 L N -2.349 118.893 121.223 0.032 0.000 2.291 55 L HA -0.198 4.156 4.340 0.023 0.000 0.214 55 L C 1.865 178.775 176.870 0.066 0.000 1.120 55 L CA 2.046 56.910 54.840 0.040 0.000 0.799 55 L CB -0.382 41.708 42.059 0.051 0.000 0.925 55 L HN -0.284 7.865 8.230 0.023 0.094 0.446 56 A N -0.027 122.845 122.820 0.088 0.000 1.930 56 A HA -0.187 4.437 4.320 0.124 -0.230 0.217 56 A C 1.896 179.531 177.584 0.084 0.000 1.175 56 A CA 2.633 54.739 52.037 0.114 0.000 0.627 56 A CB -0.589 18.506 19.000 0.158 0.000 0.815 56 A HN -0.111 7.965 8.150 0.088 0.126 0.443 57 T N -1.197 113.396 114.554 0.064 0.000 2.803 57 T HA -0.323 4.052 4.350 0.042 0.000 0.269 57 T C 1.388 176.105 174.700 0.028 0.000 1.052 57 T CA 3.072 65.197 62.100 0.042 0.000 1.136 57 T CB 0.089 68.976 68.868 0.032 0.000 0.864 57 T HN -0.560 7.630 8.240 0.065 0.089 0.467 58 E N -1.859 118.358 120.200 0.027 0.000 2.474 58 E HA 0.115 4.458 4.350 -0.012 0.000 0.194 58 E C -0.158 176.473 176.600 0.051 0.000 1.041 58 E CA -0.297 56.108 56.400 0.008 0.000 0.874 58 E CB 0.369 30.054 29.700 -0.026 0.000 0.914 58 E HN -0.693 7.562 8.360 0.033 0.125 0.498 59 G N -2.528 106.333 108.800 0.102 0.000 2.131 59 G HA2 -0.370 3.751 3.960 0.154 0.000 0.223 59 G HA3 -0.370 3.717 3.960 0.211 0.000 0.223 59 G C 0.530 175.592 174.900 0.270 0.000 0.990 59 G CA 0.763 45.976 45.100 0.188 0.000 0.671 59 G HN -0.393 7.785 8.290 0.089 0.165 0.521 60 L N -0.771 120.557 121.223 0.174 0.000 2.270 60 L HA 0.045 4.446 4.340 0.101 0.000 0.210 60 L C -0.685 176.230 176.870 0.074 0.000 1.104 60 L CA 1.415 56.325 54.840 0.117 0.000 0.804 60 L CB 0.727 42.854 42.059 0.114 0.000 0.937 60 L HN -0.374 7.900 8.230 0.136 0.038 0.450 61 V N -3.020 116.959 119.914 0.107 0.000 2.588 61 V HA 0.367 4.730 4.120 0.131 -0.165 0.304 61 V C -1.320 174.875 176.094 0.168 0.000 1.042 61 V CA -1.962 60.422 62.300 0.140 0.000 0.877 61 V CB 3.315 35.225 31.823 0.144 0.000 0.996 61 V HN -0.897 7.363 8.190 0.116 0.000 0.425 62 K N 7.089 127.601 120.400 0.187 0.000 2.201 62 K HA 0.219 4.611 4.320 0.121 0.000 0.278 62 K C -1.622 175.111 176.600 0.222 0.000 1.027 62 K CA -0.778 55.603 56.287 0.157 0.000 0.909 62 K CB 1.451 33.992 32.500 0.069 0.000 1.062 62 K HN 0.095 8.468 8.250 0.204 0.000 0.465 63 V N 4.546 124.539 119.914 0.132 0.000 2.370 63 V HA 0.197 4.318 4.120 0.002 0.000 0.283 63 V C -0.276 175.805 176.094 -0.020 0.000 1.023 63 V CA -1.069 61.254 62.300 0.037 0.000 0.857 63 V CB 1.336 33.172 31.823 0.022 0.000 0.985 63 V HN 0.294 8.544 8.190 0.099 0.000 0.443 64 V N 8.424 128.317 119.914 -0.036 0.000 2.293 64 V HA 0.411 4.503 4.120 -0.046 0.000 0.275 64 V C -1.953 174.088 176.094 -0.088 0.000 1.021 64 V CA -3.280 59.001 62.300 -0.032 0.000 0.815 64 V CB 1.399 33.246 31.823 0.041 0.000 1.025 64 V HN 0.734 8.903 8.190 -0.035 0.000 0.448 65 P HA 0.061 4.397 4.420 -0.140 0.000 0.268 65 P C -1.128 176.128 177.300 -0.073 0.000 1.205 65 P CA 1.061 64.103 63.100 -0.097 0.000 0.771 65 P CB 0.452 32.116 31.700 -0.060 0.000 0.858 66 R N -0.834 119.617 120.500 -0.082 0.000 4.010 66 R HA -0.265 4.040 4.340 -0.058 0.000 0.409 66 R C -0.774 175.495 176.300 -0.053 0.000 1.120 66 R CA 1.184 57.249 56.100 -0.058 0.000 1.244 66 R CB -2.835 27.444 30.300 -0.035 0.000 1.799 66 R HN 0.650 8.861 8.270 -0.098 0.000 0.559 67 V N -3.476 116.402 119.914 -0.061 0.000 2.854 67 V HA 0.203 4.317 4.120 -0.009 0.000 0.236 67 V C -0.828 175.233 176.094 -0.054 0.000 1.157 67 V CA 1.427 63.720 62.300 -0.011 0.000 1.187 67 V CB 1.308 33.176 31.823 0.074 0.000 0.949 67 V HN 0.117 8.070 8.190 -0.085 0.187 0.488 68 G N -4.697 104.025 108.800 -0.131 0.000 2.352 68 G HA2 -0.017 3.736 3.960 -0.346 0.000 0.283 68 G HA3 -0.017 3.810 3.960 -0.222 0.000 0.283 68 G C -3.037 171.658 174.900 -0.342 0.000 1.308 68 G CA 0.102 45.041 45.100 -0.267 0.000 0.892 68 G HN -0.488 7.717 8.290 -0.141 0.000 0.504 69 F N -1.840 118.035 119.950 -0.125 0.000 2.508 69 F HA 0.958 5.746 4.527 0.153 -0.169 0.325 69 F C -0.944 174.724 175.800 -0.220 0.000 1.090 69 F CA -1.701 56.288 58.000 -0.019 0.000 0.945 69 F CB 3.819 42.799 39.000 -0.033 0.000 1.156 69 F HN 0.218 8.516 8.300 -0.004 0.000 0.463 70 F N -1.041 119.009 119.950 0.167 0.000 2.588 70 F HA 0.529 5.240 4.527 0.067 -0.145 0.314 70 F C -0.394 175.438 175.800 0.053 0.000 1.069 70 F CA -1.749 56.296 58.000 0.075 0.000 0.931 70 F CB 4.134 43.153 39.000 0.030 0.000 1.260 70 F HN 0.464 9.081 8.300 0.529 0.000 0.465 71 V N 2.749 122.772 119.914 0.181 0.000 2.572 71 V HA -0.123 4.031 4.120 0.058 0.000 0.291 71 V C 0.232 176.359 176.094 0.056 0.000 1.039 71 V CA 0.659 63.004 62.300 0.075 0.000 1.055 71 V CB 0.328 32.159 31.823 0.015 0.000 0.969 71 V HN 0.560 8.844 8.190 0.156 0.000 0.482 72 T N 9.401 123.947 114.554 -0.013 0.000 2.939 72 T HA -0.310 4.014 4.350 -0.042 0.000 0.319 72 T C -0.636 173.970 174.700 -0.156 0.000 1.082 72 T CA 2.190 64.232 62.100 -0.097 0.000 1.133 72 T CB 0.485 69.234 68.868 -0.198 0.000 1.019 72 T HN -0.202 8.031 8.240 -0.011 0.000 0.548 73 D N 4.858 125.177 120.400 -0.135 0.000 2.741 73 D HA -0.004 4.577 4.640 -0.099 0.000 0.233 73 D C -0.226 175.963 176.300 -0.185 0.000 1.160 73 D CA -1.403 52.528 54.000 -0.115 0.000 1.003 73 D CB -0.889 39.876 40.800 -0.059 0.000 1.064 73 D HN 0.263 8.568 8.370 -0.108 0.000 0.503 74 V N 3.410 123.122 119.914 -0.336 0.000 2.475 74 V HA -0.254 3.441 4.120 -0.708 0.000 0.292 74 V C -0.523 175.469 176.094 -0.170 0.000 1.003 74 V CA 1.351 63.364 62.300 -0.479 0.000 1.120 74 V CB 0.423 31.893 31.823 -0.588 0.000 0.937 74 V HN -0.642 7.293 8.190 -0.346 0.048 0.476 75 D N 5.399 125.776 120.400 -0.039 0.000 2.758 75 D HA 0.188 4.845 4.640 0.029 0.000 0.279 75 D C 0.630 176.992 176.300 0.103 0.000 1.111 75 D CA -1.801 52.223 54.000 0.040 0.000 1.109 75 D CB 2.167 42.992 40.800 0.041 0.000 1.428 75 D HN -0.370 8.006 8.370 0.011 0.000 0.586 76 E N -1.076 119.177 120.200 0.088 0.000 2.106 76 E HA -0.441 3.964 4.350 0.091 0.000 0.192 76 E C 1.545 178.202 176.600 0.096 0.000 0.984 76 E CA 3.706 60.159 56.400 0.088 0.000 0.806 76 E CB -0.268 29.473 29.700 0.069 0.000 0.750 76 E HN 0.453 8.858 8.360 0.074 0.000 0.458 77 K N -0.711 119.747 120.400 0.096 0.000 2.097 77 K HA -0.290 4.063 4.320 0.055 0.000 0.206 77 K C 1.311 177.974 176.600 0.104 0.000 1.049 77 K CA 3.090 59.425 56.287 0.081 0.000 0.933 77 K CB -0.160 32.382 32.500 0.069 0.000 0.717 77 K HN -0.589 7.869 8.250 0.092 -0.153 0.442 78 F N 0.007 119.951 119.950 -0.010 0.000 2.146 78 F HA -0.260 4.255 4.527 -0.020 0.000 0.298 78 F C 1.418 177.201 175.800 -0.028 0.000 1.096 78 F CA 3.253 61.241 58.000 -0.020 0.000 1.275 78 F CB 0.343 39.329 39.000 -0.023 0.000 1.008 78 F HN -0.893 7.660 8.300 0.288 -0.081 0.480 79 I N -0.448 120.276 120.570 0.256 0.000 2.142 79 I HA -0.685 3.565 4.170 0.133 0.000 0.240 79 I C 1.801 177.925 176.117 0.012 0.000 1.078 79 I CA 4.684 66.057 61.300 0.122 0.000 1.343 79 I CB -0.301 37.767 38.000 0.114 0.000 1.046 79 I HN -0.405 7.975 8.210 0.284 0.000 0.405 80 R N -0.825 119.688 120.500 0.022 0.000 2.096 80 R HA -0.370 4.184 4.340 0.005 -0.211 0.240 80 R C 2.896 179.175 176.300 -0.034 0.000 1.139 80 R CA 3.725 59.825 56.100 0.001 0.000 0.952 80 R CB -0.218 30.091 30.300 0.015 0.000 0.854 80 R HN 0.149 8.448 8.270 0.048 0.000 0.436 81 E N -1.987 118.174 120.200 -0.066 0.000 2.110 81 E HA -0.282 4.025 4.350 -0.071 0.000 0.193 81 E C 2.260 178.770 176.600 -0.152 0.000 0.988 81 E CA 2.944 59.280 56.400 -0.107 0.000 0.804 81 E CB -0.211 29.408 29.700 -0.135 0.000 0.745 81 E HN -0.212 8.114 8.360 -0.056 0.000 0.458 82 T N 2.552 116.974 114.554 -0.220 0.000 2.684 82 T HA -0.357 3.842 4.350 -0.251 0.000 0.267 82 T C 2.145 176.777 174.700 -0.114 0.000 1.036 82 T CA 4.641 66.609 62.100 -0.221 0.000 1.148 82 T CB -0.119 68.598 68.868 -0.252 0.000 0.863 82 T HN -0.617 7.475 8.240 -0.248 0.000 0.436 83 I N 0.323 120.850 120.570 -0.072 0.000 2.286 83 I HA -0.336 3.814 4.170 -0.033 0.000 0.245 83 I C 1.418 177.534 176.117 -0.001 0.000 1.104 83 I CA 1.960 63.241 61.300 -0.031 0.000 1.397 83 I CB -1.073 36.914 38.000 -0.021 0.000 1.072 83 I HN -0.228 7.941 8.210 -0.069 0.000 0.417 84 E N 0.241 120.437 120.200 -0.008 0.000 2.150 84 E HA -0.309 4.056 4.350 0.026 0.000 0.193 84 E C 2.089 178.702 176.600 0.021 0.000 0.985 84 E CA 2.876 59.282 56.400 0.011 0.000 0.814 84 E CB -0.103 29.598 29.700 0.001 0.000 0.752 84 E HN -0.014 8.333 8.360 -0.023 0.000 0.466 85 T N 0.222 114.776 114.554 -0.001 0.000 2.821 85 T HA -0.249 4.113 4.350 0.019 0.000 0.267 85 T C 1.334 176.083 174.700 0.082 0.000 1.046 85 T CA 3.649 65.758 62.100 0.015 0.000 1.139 85 T CB 0.101 68.951 68.868 -0.029 0.000 0.871 85 T HN -0.534 7.680 8.240 -0.029 0.009 0.454 86 R N -1.202 119.354 120.500 0.094 0.000 2.090 86 R HA -0.133 4.387 4.340 0.301 0.000 0.228 86 R C 0.641 177.062 176.300 0.202 0.000 1.110 86 R CA 2.396 58.617 56.100 0.200 0.000 0.973 86 R CB 0.433 30.828 30.300 0.159 0.000 0.869 86 R HN -0.825 7.384 8.270 0.050 0.092 0.440 91 V N 1.856 121.866 119.914 0.160 0.000 2.358 91 V HA -0.414 3.721 4.120 0.025 0.000 0.246 91 V C 0.835 176.996 176.094 0.111 0.000 1.047 91 V CA 4.238 66.594 62.300 0.093 0.000 1.035 91 V CB 0.314 32.195 31.823 0.096 0.000 0.658 91 V HN -0.190 8.109 8.190 0.182 0.000 0.452 92 F N 0.186 120.167 119.950 0.053 0.000 2.126 92 F HA -0.418 4.137 4.527 0.046 0.000 0.299 92 F C 1.111 176.975 175.800 0.105 0.000 1.096 92 F CA 4.255 62.294 58.000 0.064 0.000 1.255 92 F CB 0.084 39.128 39.000 0.073 0.000 0.997 92 F HN -0.253 8.255 8.300 0.346 0.000 0.479 93 C N -2.468 116.988 119.300 0.260 0.000 2.466 93 C HA -0.338 4.328 4.460 0.344 0.000 0.278 93 C C 1.254 176.325 174.990 0.135 0.000 1.288 93 C CA 4.070 63.232 59.018 0.240 0.000 1.722 93 C CB -0.583 27.283 27.740 0.211 0.000 2.017 93 C HN -0.297 8.027 8.230 0.303 0.088 0.488 94 L N 0.293 121.511 121.223 -0.008 0.000 2.056 94 L HA -0.372 3.912 4.340 -0.093 0.000 0.207 94 L C 1.139 178.015 176.870 0.011 0.000 1.078 94 L CA 3.223 58.002 54.840 -0.102 0.000 0.749 94 L CB -0.169 41.682 42.059 -0.347 0.000 0.901 94 L HN -0.193 8.023 8.230 -0.023 0.000 0.433 95 E N -1.861 118.293 120.200 -0.076 0.000 2.051 95 E HA -0.514 3.759 4.350 -0.128 0.000 0.192 95 E C 1.871 178.354 176.600 -0.194 0.000 0.991 95 E CA 3.272 59.589 56.400 -0.139 0.000 0.799 95 E CB -0.042 29.549 29.700 -0.182 0.000 0.748 95 E HN -0.301 8.005 8.360 -0.090 0.000 0.449 96 N N -3.347 115.167 118.700 -0.310 0.000 2.392 96 N HA -0.074 4.392 4.740 -0.457 0.000 0.177 96 N C 1.358 176.454 175.510 -0.690 0.000 1.066 96 N CA 1.801 54.532 53.050 -0.531 0.000 0.895 96 N CB 1.193 39.188 38.487 -0.820 0.000 0.988 96 N HN -0.716 7.482 8.380 -0.304 0.000 0.457 97 Y N -2.729 117.532 120.300 -0.065 0.000 2.716 97 Y HA 0.100 4.642 4.550 -0.013 0.000 0.260 97 Y C -0.986 174.927 175.900 0.023 0.000 1.141 97 Y CA -1.953 56.138 58.100 -0.015 0.000 1.168 97 Y CB -1.117 37.333 38.460 -0.016 0.000 1.189 97 Y HN -0.099 8.198 8.280 0.028 0.000 0.549 98 F N 1.884 121.802 119.950 -0.053 0.000 2.065 98 F HA -0.478 4.065 4.527 -0.051 -0.047 0.298 98 F C 1.099 176.890 175.800 -0.016 0.000 1.112 98 F CA 4.402 62.371 58.000 -0.051 0.000 1.212 98 F CB 0.442 39.388 39.000 -0.091 0.000 0.975 98 F HN -0.648 7.759 8.300 0.179 0.000 0.476 99 D N -2.393 118.042 120.400 0.058 0.000 2.149 99 D HA -0.367 4.228 4.640 -0.076 0.000 0.198 99 D C 2.025 178.281 176.300 -0.072 0.000 0.990 99 D CA 3.711 57.696 54.000 -0.025 0.000 0.839 99 D CB -0.748 40.083 40.800 0.051 0.000 0.948 99 D HN 0.393 8.873 8.370 0.183 0.000 0.460 100 K N -0.796 119.596 120.400 -0.014 0.000 2.103 100 K HA -0.195 4.123 4.320 -0.004 0.000 0.204 100 K C 1.373 177.949 176.600 -0.040 0.000 1.052 100 K CA 2.380 58.669 56.287 0.005 0.000 0.945 100 K CB -0.047 32.505 32.500 0.087 0.000 0.722 100 K HN -0.836 7.414 8.250 0.029 0.018 0.443 101 I N -2.348 118.181 120.570 -0.068 0.000 2.163 101 I HA -0.395 3.759 4.170 -0.027 0.000 0.240 101 I C 2.072 178.093 176.117 -0.159 0.000 1.081 101 I CA 3.553 64.808 61.300 -0.076 0.000 1.353 101 I CB 0.327 38.314 38.000 -0.022 0.000 1.054 101 I HN -0.672 7.500 8.210 -0.063 0.000 0.407 102 A N -1.217 121.413 122.820 -0.318 0.000 1.978 102 A HA -0.288 3.864 4.320 -0.280 0.000 0.220 102 A C 1.320 178.810 177.584 -0.156 0.000 1.170 102 A CA 2.413 54.266 52.037 -0.308 0.000 0.636 102 A CB -0.624 18.094 19.000 -0.470 0.000 0.810 102 A HN -0.069 7.816 8.150 -0.443 0.000 0.448 103 G N -4.724 104.004 108.800 -0.119 0.000 3.042 103 G HA2 0.148 4.069 3.960 -0.065 0.000 0.212 103 G HA3 0.148 4.072 3.960 -0.059 0.000 0.212 103 G C -0.674 174.192 174.900 -0.056 0.000 1.166 103 G CA -0.677 44.381 45.100 -0.071 0.000 0.767 103 G HN -0.500 7.684 8.290 -0.126 0.030 0.546 104 S N 0.496 116.159 115.700 -0.063 0.000 2.554 104 S HA 0.128 4.571 4.470 -0.046 0.000 0.278 104 S C 0.578 175.146 174.600 -0.052 0.000 1.242 104 S CA -1.198 56.970 58.200 -0.053 0.000 1.051 104 S CB 1.962 65.128 63.200 -0.056 0.000 0.986 104 S HN -0.621 7.596 8.310 -0.075 0.048 0.502 105 E N 4.796 124.969 120.200 -0.046 0.000 2.153 105 E HA -0.455 3.872 4.350 -0.039 0.000 0.194 105 E C 1.844 178.414 176.600 -0.049 0.000 0.988 105 E CA 3.471 59.846 56.400 -0.042 0.000 0.811 105 E CB -0.064 29.615 29.700 -0.035 0.000 0.746 105 E HN 0.776 9.111 8.360 -0.043 0.000 0.466 106 E N -1.031 119.134 120.200 -0.059 0.000 2.058 106 E HA -0.289 4.021 4.350 -0.067 0.000 0.194 106 E C 1.511 178.063 176.600 -0.080 0.000 0.997 106 E CA 2.758 59.114 56.400 -0.073 0.000 0.801 106 E CB -0.957 28.690 29.700 -0.087 0.000 0.746 106 E HN 0.203 8.502 8.360 -0.059 0.026 0.450 107 L N -1.692 119.484 121.223 -0.080 0.000 2.081 107 L HA -0.290 3.990 4.340 -0.099 0.000 0.212 107 L C 1.673 178.507 176.870 -0.060 0.000 1.080 107 L CA 2.862 57.655 54.840 -0.078 0.000 0.754 107 L CB -0.186 41.834 42.059 -0.064 0.000 0.893 107 L HN -0.571 7.614 8.230 -0.075 0.000 0.433 108 L N -4.231 116.963 121.223 -0.049 0.000 2.109 108 L HA -0.352 3.970 4.340 -0.030 0.000 0.207 108 L C 2.041 178.891 176.870 -0.033 0.000 1.086 108 L CA 2.930 57.749 54.840 -0.035 0.000 0.760 108 L CB -0.742 41.299 42.059 -0.030 0.000 0.910 108 L HN -0.403 7.667 8.230 -0.050 0.130 0.437 109 E N -0.455 119.720 120.200 -0.041 0.000 2.106 109 E HA -0.319 4.015 4.350 -0.027 0.000 0.192 109 E C 2.581 179.156 176.600 -0.041 0.000 0.984 109 E CA 2.866 59.244 56.400 -0.037 0.000 0.806 109 E CB -0.311 29.363 29.700 -0.043 0.000 0.750 109 E HN -0.803 7.443 8.360 -0.047 0.086 0.458 110 I N -0.198 120.335 120.570 -0.062 0.000 2.252 110 I HA -0.405 3.720 4.170 -0.075 0.000 0.245 110 I C 1.944 178.035 176.117 -0.044 0.000 1.102 110 I CA 3.844 65.098 61.300 -0.076 0.000 1.385 110 I CB 0.048 37.971 38.000 -0.128 0.000 1.064 110 I HN -0.051 8.116 8.210 -0.071 0.000 0.414 111 K N 0.068 120.448 120.400 -0.034 0.000 2.113 111 K HA -0.359 3.962 4.320 0.001 0.000 0.208 111 K C 1.996 178.600 176.600 0.007 0.000 1.047 111 K CA 2.860 59.142 56.287 -0.008 0.000 0.928 111 K CB -0.937 31.558 32.500 -0.008 0.000 0.716 111 K HN -0.465 7.759 8.250 -0.043 0.000 0.446 112 G N -2.219 106.581 108.800 -0.000 0.000 2.404 112 G HA2 -0.252 3.716 3.960 0.013 0.000 0.215 112 G HA3 -0.252 3.711 3.960 0.004 0.000 0.215 112 G C 1.344 176.257 174.900 0.021 0.000 1.174 112 G CA 1.876 46.981 45.100 0.009 0.000 0.780 112 G HN -0.547 7.631 8.290 -0.010 0.106 0.537 113 E N 2.451 122.661 120.200 0.017 0.000 2.118 113 E HA -0.388 3.986 4.350 0.041 0.000 0.195 113 E C 2.539 179.180 176.600 0.069 0.000 0.992 113 E CA 2.690 59.111 56.400 0.035 0.000 0.804 113 E CB -0.170 29.539 29.700 0.015 0.000 0.741 113 E HN -0.732 7.629 8.360 0.002 0.000 0.458 114 I N 0.284 120.893 120.570 0.066 0.000 2.142 114 I HA -0.451 3.968 4.170 0.156 -0.155 0.240 114 I C 1.890 178.068 176.117 0.101 0.000 1.078 114 I CA 4.060 65.425 61.300 0.110 0.000 1.343 114 I CB 0.086 38.146 38.000 0.100 0.000 1.046 114 I HN -0.146 7.990 8.210 0.041 0.098 0.405 115 D N -0.794 119.647 120.400 0.068 0.000 2.158 115 D HA -0.375 4.298 4.640 0.056 0.000 0.197 115 D C 2.497 178.833 176.300 0.061 0.000 0.995 115 D CA 3.229 57.262 54.000 0.056 0.000 0.846 115 D CB -0.980 39.843 40.800 0.038 0.000 0.941 115 D HN -0.420 7.983 8.370 0.055 0.000 0.456 116 D N -0.680 119.760 120.400 0.066 0.000 2.144 116 D HA -0.145 4.530 4.640 0.057 0.000 0.200 116 D C 2.410 178.766 176.300 0.092 0.000 0.978 116 D CA 3.021 57.063 54.000 0.069 0.000 0.833 116 D CB -0.075 40.765 40.800 0.066 0.000 0.961 116 D HN -0.705 7.591 8.370 0.065 0.113 0.470 117 V N 0.685 120.676 119.914 0.128 0.000 2.427 117 V HA -0.360 3.867 4.120 0.178 0.000 0.248 117 V C 2.493 178.660 176.094 0.121 0.000 1.051 117 V CA 3.726 66.130 62.300 0.173 0.000 1.048 117 V CB -0.106 31.887 31.823 0.285 0.000 0.666 117 V HN -0.383 7.887 8.190 0.132 0.000 0.456 118 A N -2.070 120.807 122.820 0.095 0.000 2.070 118 A HA -0.274 4.071 4.320 0.042 0.000 0.220 118 A C 0.322 177.929 177.584 0.039 0.000 1.159 118 A CA 2.430 54.500 52.037 0.055 0.000 0.656 118 A CB -0.588 18.442 19.000 0.049 0.000 0.800 118 A HN -0.250 7.961 8.150 0.101 0.000 0.453 119 A N -1.505 121.344 122.820 0.049 0.000 1.963 119 A HA 0.036 4.374 4.320 0.029 0.000 0.207 119 A C 1.379 178.990 177.584 0.044 0.000 1.243 119 A CA 1.473 53.534 52.037 0.039 0.000 0.728 119 A CB 0.834 19.857 19.000 0.038 0.000 0.895 119 A HN -0.309 7.714 8.150 0.061 0.163 0.467 120 S N -1.514 114.224 115.700 0.063 0.000 2.502 120 S HA -0.023 4.481 4.470 0.057 0.000 0.228 120 S C 0.620 175.276 174.600 0.094 0.000 1.061 120 S CA 0.119 58.361 58.200 0.071 0.000 0.935 120 S CB 2.125 65.371 63.200 0.077 0.000 0.809 120 S HN -0.129 8.226 8.310 0.074 0.000 0.510 121 A N 1.725 124.622 122.820 0.128 0.000 2.872 121 A HA -0.388 4.126 4.320 0.236 -0.053 0.273 121 A C -1.800 175.962 177.584 0.297 0.000 1.442 121 A CA 0.842 52.999 52.037 0.200 0.000 0.801 121 A CB -2.192 16.864 19.000 0.093 0.000 1.031 121 A HN -0.196 7.910 8.150 0.127 0.120 0.582 122 A N -2.325 120.627 122.820 0.220 0.000 2.347 122 A HA -0.002 4.401 4.320 0.138 0.000 0.287 122 A C 0.056 177.724 177.584 0.141 0.000 1.199 122 A CA -0.749 51.382 52.037 0.157 0.000 0.851 122 A CB 0.668 19.736 19.000 0.113 0.000 1.118 122 A HN -0.713 7.553 8.150 0.193 0.000 0.525 123 R N 4.451 124.953 120.500 0.003 0.000 2.152 123 R HA -0.381 3.688 4.340 -0.453 0.000 0.232 123 R C 0.801 177.110 176.300 0.014 0.000 1.117 123 R CA 3.211 59.179 56.100 -0.220 0.000 0.981 123 R CB -0.069 30.014 30.300 -0.361 0.000 0.870 123 R HN 0.608 8.883 8.270 0.009 0.000 0.451 124 E N -2.214 118.019 120.200 0.054 0.000 2.112 124 E HA -0.194 4.207 4.350 0.084 0.000 0.190 124 E C 1.763 178.415 176.600 0.086 0.000 0.979 124 E CA 3.529 59.973 56.400 0.074 0.000 0.814 124 E CB -0.835 28.899 29.700 0.056 0.000 0.762 124 E HN 0.071 8.428 8.360 0.049 0.032 0.460 125 I N -0.291 120.340 120.570 0.101 0.000 2.394 125 I HA -0.262 3.947 4.170 0.065 0.000 0.251 125 I C 1.827 178.020 176.117 0.127 0.000 1.136 125 I CA 0.644 62.004 61.300 0.099 0.000 1.425 125 I CB -1.156 36.909 38.000 0.108 0.000 1.079 125 I HN -0.811 7.462 8.210 0.104 0.000 0.425 126 F N 3.032 123.027 119.950 0.075 0.000 2.113 126 F HA -0.303 4.319 4.527 0.159 0.000 0.297 126 F C 1.349 177.215 175.800 0.110 0.000 1.103 126 F CA 3.582 61.655 58.000 0.122 0.000 1.248 126 F CB 0.182 39.280 39.000 0.163 0.000 0.999 126 F HN -0.521 7.869 8.300 0.305 0.093 0.475 127 D N -0.983 119.426 120.400 0.015 0.000 2.117 127 D HA -0.337 4.229 4.640 -0.124 0.000 0.197 127 D C 2.661 178.933 176.300 -0.048 0.000 0.987 127 D CA 3.511 57.498 54.000 -0.023 0.000 0.829 127 D CB -0.765 40.132 40.800 0.162 0.000 0.961 127 D HN -0.317 8.152 8.370 0.164 0.000 0.460 128 D N 0.016 120.407 120.400 -0.014 0.000 2.084 128 D HA -0.274 4.364 4.640 -0.003 0.000 0.194 128 D C 1.814 178.059 176.300 -0.092 0.000 0.990 128 D CA 3.309 57.294 54.000 -0.025 0.000 0.826 128 D CB 0.344 41.140 40.800 -0.006 0.000 0.971 128 D HN -0.382 7.997 8.370 0.014 0.000 0.453 129 S N -0.402 115.225 115.700 -0.122 0.000 2.368 129 S HA -0.284 4.185 4.470 -0.143 -0.085 0.225 129 S C 2.176 176.608 174.600 -0.280 0.000 1.030 129 S CA 2.978 61.079 58.200 -0.165 0.000 0.999 129 S CB -0.414 62.727 63.200 -0.100 0.000 0.844 129 S HN -0.414 7.838 8.310 -0.096 0.000 0.459 130 D N 3.100 123.269 120.400 -0.385 0.000 2.104 130 D HA -0.339 4.002 4.640 -0.498 0.000 0.194 130 D C 1.722 177.988 176.300 -0.056 0.000 0.994 130 D CA 3.459 57.249 54.000 -0.349 0.000 0.830 130 D CB -0.123 40.368 40.800 -0.515 0.000 0.959 130 D HN 0.076 8.163 8.370 -0.471 0.000 0.452 131 E N -0.299 119.896 120.200 -0.008 0.000 2.072 131 E HA -0.425 4.058 4.350 0.222 0.000 0.191 131 E C 2.548 179.060 176.600 -0.145 0.000 0.985 131 E CA 2.949 59.374 56.400 0.041 0.000 0.801 131 E CB -0.061 29.665 29.700 0.043 0.000 0.750 131 E HN -0.533 7.800 8.360 -0.045 0.000 0.452 132 R N -1.704 118.684 120.500 -0.187 0.000 2.092 132 R HA -0.288 3.912 4.340 -0.234 0.000 0.231 132 R C 2.475 178.576 176.300 -0.331 0.000 1.119 132 R CA 3.400 59.360 56.100 -0.234 0.000 0.970 132 R CB -0.041 30.143 30.300 -0.193 0.000 0.864 132 R HN -0.509 7.660 8.270 -0.168 0.000 0.440 133 L N -0.282 120.691 121.223 -0.418 0.000 2.027 133 L HA -0.301 3.660 4.340 -0.632 0.000 0.206 133 L C 1.709 177.969 176.870 -1.016 0.000 1.074 133 L CA 3.007 57.435 54.840 -0.686 0.000 0.745 133 L CB -0.361 41.246 42.059 -0.753 0.000 0.898 133 L HN -0.372 7.631 8.230 -0.378 0.000 0.433 134 H N -1.660 117.071 119.070 -0.564 0.000 2.357 134 H HA -0.250 3.965 4.556 -0.567 0.000 0.301 134 H C 2.692 177.796 175.328 -0.373 0.000 1.082 134 H CA 3.853 59.669 56.048 -0.387 0.000 1.342 134 H CB -0.049 29.765 29.762 0.086 0.000 1.389 134 H HN -0.645 7.445 8.280 -0.317 0.000 0.511 135 K N -0.954 119.326 120.400 -0.200 0.000 2.147 135 K HA -0.306 3.841 4.320 -0.288 0.000 0.205 135 K C 2.202 178.628 176.600 -0.289 0.000 1.049 135 K CA 3.021 59.151 56.287 -0.262 0.000 0.936 135 K CB -0.039 32.294 32.500 -0.278 0.000 0.722 135 K HN -0.450 7.701 8.250 -0.165 0.000 0.446 136 L N 0.086 121.099 121.223 -0.351 0.000 2.013 136 L HA -0.405 3.815 4.340 -0.201 0.000 0.212 136 L C 1.503 178.296 176.870 -0.127 0.000 1.073 136 L CA 3.354 58.033 54.840 -0.269 0.000 0.753 136 L CB -0.442 41.426 42.059 -0.318 0.000 0.890 136 L HN -0.206 7.776 8.230 -0.413 0.000 0.432 137 F N -3.358 116.516 119.950 -0.127 0.000 2.091 137 F HA -0.396 4.090 4.527 -0.068 0.000 0.299 137 F C 2.187 177.910 175.800 -0.129 0.000 1.103 137 F CA 2.108 60.052 58.000 -0.093 0.000 1.228 137 F CB -1.426 37.544 39.000 -0.049 0.000 0.984 137 F HN -0.924 7.015 8.300 -0.602 0.000 0.477 138 I N -2.756 117.784 120.570 -0.050 0.000 2.179 138 I HA -0.430 3.670 4.170 -0.117 0.000 0.242 138 I C 2.811 178.836 176.117 -0.155 0.000 1.088 138 I CA 2.076 63.267 61.300 -0.181 0.000 1.357 138 I CB -1.176 36.536 38.000 -0.480 0.000 1.051 138 I HN -0.876 7.258 8.210 -0.128 0.000 0.409 139 R N -1.124 119.283 120.500 -0.154 0.000 2.148 139 R HA -0.282 3.975 4.340 -0.139 0.000 0.227 139 R C 2.588 178.796 176.300 -0.152 0.000 1.103 139 R CA 3.385 59.399 56.100 -0.143 0.000 0.983 139 R CB -0.299 29.920 30.300 -0.135 0.000 0.874 139 R HN -0.038 8.135 8.270 -0.161 0.000 0.451 140 A N -0.862 121.879 122.820 -0.132 0.000 2.119 140 A HA -0.056 4.195 4.320 -0.115 0.000 0.217 140 A C 1.478 178.832 177.584 -0.383 0.000 1.153 140 A CA 2.565 54.519 52.037 -0.138 0.000 0.692 140 A CB -0.944 18.046 19.000 -0.017 0.000 0.799 140 A HN -0.089 7.982 8.150 -0.092 0.024 0.458 141 S N -0.570 114.773 115.700 -0.595 0.000 2.400 141 S HA -0.266 2.477 4.470 -2.879 0.000 0.232 141 S C 1.675 175.828 174.600 -0.746 0.000 1.025 141 S CA 1.583 59.029 58.200 -1.256 0.000 0.993 141 S CB 0.032 62.876 63.200 -0.594 0.000 0.808 141 S HN -0.503 7.550 8.310 -0.386 0.026 0.478 142 G N 1.792 110.378 108.800 -0.357 0.000 2.180 142 G HA2 -0.474 3.403 3.960 -0.138 0.000 0.263 142 G HA3 -0.474 3.395 3.960 -0.152 0.000 0.263 142 G C -1.433 173.396 174.900 -0.118 0.000 0.989 142 G CA 0.371 45.363 45.100 -0.181 0.000 0.692 142 G HN -0.267 7.805 8.290 -0.305 0.035 0.526 143 N N 0.756 119.381 118.700 -0.126 0.000 2.485 143 N HA 0.147 4.873 4.740 -0.024 0.000 0.243 143 N C -0.190 175.299 175.510 -0.036 0.000 0.987 143 N CA -1.538 51.484 53.050 -0.047 0.000 0.940 143 N CB 0.778 39.260 38.487 -0.009 0.000 1.122 143 N HN -0.563 7.678 8.380 -0.172 0.036 0.509 144 E N 6.376 126.562 120.200 -0.023 0.000 2.268 144 E HA -0.297 4.038 4.350 -0.025 0.000 0.195 144 E C 1.418 178.015 176.600 -0.004 0.000 0.995 144 E CA 2.759 59.148 56.400 -0.018 0.000 0.836 144 E CB 0.090 29.782 29.700 -0.014 0.000 0.763 144 E HN 0.718 9.068 8.360 -0.018 0.000 0.491 145 L N 0.320 121.543 121.223 0.000 0.000 2.023 145 L HA -0.202 4.142 4.340 0.007 0.000 0.205 145 L C 2.188 179.065 176.870 0.012 0.000 1.073 145 L CA 2.829 57.673 54.840 0.006 0.000 0.745 145 L CB 0.200 42.261 42.059 0.003 0.000 0.900 145 L HN -0.449 7.929 8.230 0.000 -0.148 0.435 146 I N -0.139 120.436 120.570 0.008 0.000 2.163 146 I HA -0.606 3.577 4.170 0.022 0.000 0.243 146 I C 1.830 177.973 176.117 0.043 0.000 1.085 146 I CA 4.423 65.734 61.300 0.019 0.000 1.347 146 I CB 0.076 38.085 38.000 0.014 0.000 1.044 146 I HN -0.627 7.867 8.210 0.003 -0.282 0.408 147 I N -1.577 119.001 120.570 0.013 0.000 2.286 147 I HA -0.569 3.611 4.170 0.018 0.000 0.248 147 I C 1.797 177.954 176.117 0.067 0.000 1.115 147 I CA 4.417 65.728 61.300 0.019 0.000 1.392 147 I CB -0.231 37.753 38.000 -0.027 0.000 1.065 147 I HN -0.043 8.163 8.210 -0.006 0.000 0.418 148 S N 0.723 116.450 115.700 0.045 0.000 2.428 148 S HA -0.219 4.278 4.470 0.045 0.000 0.230 148 S C 2.018 176.658 174.600 0.066 0.000 1.014 148 S CA 3.350 61.578 58.200 0.046 0.000 0.957 148 S CB -0.765 62.449 63.200 0.024 0.000 0.784 148 S HN -0.432 7.895 8.310 0.028 0.000 0.499 149 L N 2.239 123.508 121.223 0.076 0.000 2.056 149 L HA -0.366 4.005 4.340 0.051 0.000 0.207 149 L C 1.744 178.691 176.870 0.128 0.000 1.078 149 L CA 3.125 58.013 54.840 0.079 0.000 0.749 149 L CB -0.413 41.686 42.059 0.065 0.000 0.901 149 L HN -0.363 7.817 8.230 0.068 0.091 0.433 150 Y N -1.115 119.208 120.300 0.038 0.000 2.220 150 Y HA -0.476 4.126 4.550 0.087 0.000 0.291 150 Y C 2.661 178.632 175.900 0.118 0.000 1.129 150 Y CA 3.490 61.639 58.100 0.080 0.000 1.161 150 Y CB 0.142 38.649 38.460 0.079 0.000 0.997 150 Y HN -0.614 7.833 8.280 0.279 0.000 0.522 151 E N -0.365 119.962 120.200 0.213 0.000 2.085 151 E HA -0.369 4.072 4.350 0.150 0.000 0.194 151 E C 2.500 179.154 176.600 0.089 0.000 0.994 151 E CA 2.617 59.093 56.400 0.127 0.000 0.801 151 E CB -0.387 29.352 29.700 0.065 0.000 0.743 151 E HN -0.362 8.133 8.360 0.227 0.000 0.453 152 K N -2.882 117.550 120.400 0.054 0.000 2.211 152 K HA -0.189 4.141 4.320 0.017 0.000 0.204 152 K C 0.884 177.472 176.600 -0.019 0.000 1.047 152 K CA 2.619 58.917 56.287 0.018 0.000 0.935 152 K CB 0.288 32.797 32.500 0.014 0.000 0.728 152 K HN -0.277 8.011 8.250 0.063 0.000 0.452 153 I N -9.192 111.351 120.570 -0.046 0.000 3.974 153 I HA 0.467 4.709 4.170 -0.119 -0.144 0.334 153 I C -0.253 175.747 176.117 -0.194 0.000 1.437 153 I CA -1.540 59.684 61.300 -0.126 0.000 1.113 153 I CB 0.123 38.031 38.000 -0.154 0.000 1.063 153 I HN -0.732 7.320 8.210 -0.034 0.138 0.400 154 W N 3.943 125.074 121.300 -0.281 0.000 2.358 154 W HA -0.415 4.003 4.660 -0.404 0.000 0.303 154 W C 0.578 176.925 176.519 -0.287 0.000 1.208 154 W CA 4.841 62.002 57.345 -0.307 0.000 1.274 154 W CB 0.573 29.907 29.460 -0.211 0.000 1.138 154 W HN -0.550 7.510 8.180 0.073 0.164 0.515 155 D N -1.637 118.455 120.400 -0.513 0.000 2.123 155 D HA -0.450 3.524 4.640 -1.111 0.000 0.196 155 D C 2.412 178.342 176.300 -0.617 0.000 0.992 155 D CA 4.079 57.562 54.000 -0.861 0.000 0.833 155 D CB -1.007 39.265 40.800 -0.880 0.000 0.954 155 D HN 0.102 8.368 8.370 -0.290 -0.070 0.455 156 R N 0.188 120.466 120.500 -0.370 0.000 2.073 156 R HA -0.283 4.033 4.340 -0.041 0.000 0.234 156 R C 2.324 178.455 176.300 -0.282 0.000 1.134 156 R CA 3.223 59.211 56.100 -0.187 0.000 0.952 156 R CB -0.150 30.058 30.300 -0.154 0.000 0.850 156 R HN -0.772 7.503 8.270 -0.331 -0.204 0.433 157 I N -1.038 119.242 120.570 -0.483 0.000 2.208 157 I HA -0.585 3.352 4.170 -0.388 0.000 0.245 157 I C 1.577 177.306 176.117 -0.647 0.000 1.097 157 I CA 4.137 65.090 61.300 -0.578 0.000 1.363 157 I CB -0.375 37.191 38.000 -0.722 0.000 1.051 157 I HN -0.096 7.808 8.210 -0.511 0.000 0.413 158 D N -0.567 119.296 120.400 -0.895 0.000 2.123 158 D HA -0.267 4.035 4.640 -0.564 0.000 0.200 158 D C 2.176 178.455 176.300 -0.034 0.000 0.976 158 D CA 3.477 57.145 54.000 -0.554 0.000 0.831 158 D CB 0.260 40.720 40.800 -0.567 0.000 0.974 158 D HN -0.050 7.579 8.370 -1.065 0.102 0.469 159 L N 0.269 121.486 121.223 -0.009 0.000 2.027 159 L HA -0.210 4.207 4.340 0.128 0.000 0.206 159 L C 1.910 178.800 176.870 0.035 0.000 1.074 159 L CA 2.838 57.730 54.840 0.088 0.000 0.745 159 L CB -0.070 42.053 42.059 0.107 0.000 0.898 159 L HN -0.446 7.724 8.230 -0.100 0.000 0.433 160 V N -0.632 119.280 119.914 -0.004 0.000 2.287 160 V HA -0.635 3.493 4.120 0.013 0.000 0.248 160 V C 2.148 178.230 176.094 -0.019 0.000 1.053 160 V CA 4.268 66.567 62.300 -0.002 0.000 1.027 160 V CB -0.363 31.462 31.823 0.003 0.000 0.646 160 V HN -0.350 7.824 8.190 -0.027 0.000 0.447 161 R N -2.211 118.252 120.500 -0.063 0.000 2.119 161 R HA -0.398 3.914 4.340 -0.048 0.000 0.246 161 R C 2.392 178.639 176.300 -0.088 0.000 1.146 161 R CA 3.536 59.586 56.100 -0.082 0.000 0.962 161 R CB -0.171 30.022 30.300 -0.178 0.000 0.863 161 R HN -0.308 7.895 8.270 -0.111 0.000 0.442 162 H N -3.789 115.288 119.070 0.012 0.000 2.547 162 H HA -0.017 4.580 4.556 0.068 0.000 0.266 162 H C 1.043 176.378 175.328 0.012 0.000 0.988 162 H CA 1.716 57.778 56.048 0.024 0.000 1.147 162 H CB -0.182 29.575 29.762 -0.007 0.000 1.365 162 H HN -0.731 7.526 8.280 0.147 0.111 0.589 163 L N -3.475 117.784 121.223 0.060 0.000 2.592 163 L HA 0.024 4.348 4.340 -0.026 0.000 0.227 163 L C -0.934 176.013 176.870 0.128 0.000 1.127 163 L CA -0.498 54.344 54.840 0.003 0.000 0.884 163 L CB -0.479 41.496 42.059 -0.141 0.000 1.065 163 L HN -0.594 7.501 8.230 0.037 0.157 0.457 164 N N -3.190 115.577 118.700 0.111 0.000 2.402 164 N HA 0.078 4.894 4.740 0.127 0.000 0.294 164 N C -0.644 174.940 175.510 0.123 0.000 1.203 164 N CA -1.255 51.862 53.050 0.113 0.000 0.838 164 N CB 2.826 41.361 38.487 0.080 0.000 1.306 164 N HN -0.982 7.413 8.380 0.088 0.038 0.510 165 E N -2.172 118.091 120.200 0.105 0.000 2.538 165 E HA 0.123 4.580 4.350 0.177 0.000 0.207 165 E C 0.099 176.740 176.600 0.069 0.000 1.002 165 E CA -0.183 56.290 56.400 0.122 0.000 0.952 165 E CB 0.095 29.847 29.700 0.087 0.000 1.031 165 E HN 0.526 8.937 8.360 0.084 0.000 0.476 166 R N 0.958 121.466 120.500 0.014 0.000 3.863 166 R HA 0.303 4.551 4.340 -0.152 0.000 0.304 166 R C 0.031 176.215 176.300 -0.194 0.000 1.485 166 R CA -1.002 55.041 56.100 -0.096 0.000 1.355 166 R CB -2.258 28.013 30.300 -0.049 0.000 1.457 166 R HN -0.513 8.016 8.270 0.036 -0.237 0.669 167 Y N -1.325 118.773 120.300 -0.337 0.000 2.373 167 Y HA -0.205 3.871 4.550 -0.789 0.000 0.293 167 Y C 0.480 175.954 175.900 -0.709 0.000 1.129 167 Y CA 2.260 59.874 58.100 -0.809 0.000 1.226 167 Y CB -0.701 37.068 38.460 -1.152 0.000 1.000 167 Y HN -0.765 7.349 8.280 -0.187 0.054 0.549 168 V N 0.299 119.701 119.914 -0.853 0.000 2.427 168 V HA -0.446 3.453 4.120 -0.368 0.000 0.248 168 V C 1.782 177.734 176.094 -0.236 0.000 1.051 168 V CA 3.645 65.656 62.300 -0.481 0.000 1.048 168 V CB -0.509 31.033 31.823 -0.468 0.000 0.666 168 V HN -0.235 7.284 8.190 -1.098 0.012 0.456 169 V N -0.091 119.699 119.914 -0.206 0.000 2.343 169 V HA -0.543 3.528 4.120 -0.081 0.000 0.247 169 V C 1.706 177.762 176.094 -0.062 0.000 1.051 169 V CA 4.113 66.352 62.300 -0.100 0.000 1.036 169 V CB -0.456 31.325 31.823 -0.070 0.000 0.654 169 V HN -0.765 7.279 8.190 -0.244 0.000 0.451 170 S N 0.392 116.052 115.700 -0.067 0.000 2.382 170 S HA -0.373 4.120 4.470 0.039 0.000 0.228 170 S C 1.903 176.394 174.600 -0.182 0.000 1.027 170 S CA 3.288 61.477 58.200 -0.019 0.000 0.991 170 S CB -0.252 63.062 63.200 0.189 0.000 0.823 170 S HN -0.296 7.949 8.310 -0.108 0.000 0.469 171 N N 1.604 120.324 118.700 0.034 0.000 2.104 171 N HA -0.305 4.650 4.740 0.359 0.000 0.190 171 N C 1.629 177.172 175.510 0.055 0.000 1.024 171 N CA 3.114 56.278 53.050 0.190 0.000 0.853 171 N CB 0.169 38.817 38.487 0.269 0.000 1.008 171 N HN 0.024 8.195 8.380 -0.040 0.185 0.424 172 R N -0.471 120.027 120.500 -0.004 0.000 2.075 172 R HA -0.313 4.044 4.340 0.028 0.000 0.232 172 R C 1.997 178.291 176.300 -0.009 0.000 1.126 172 R CA 3.511 59.614 56.100 0.005 0.000 0.963 172 R CB -0.142 30.155 30.300 -0.005 0.000 0.858 172 R HN -0.554 7.605 8.270 -0.026 0.095 0.435 173 E N -0.730 119.434 120.200 -0.060 0.000 2.085 173 E HA -0.368 3.972 4.350 -0.016 0.000 0.194 173 E C 2.431 178.970 176.600 -0.101 0.000 0.994 173 E CA 3.192 59.543 56.400 -0.081 0.000 0.801 173 E CB -0.257 29.401 29.700 -0.069 0.000 0.743 173 E HN -0.401 7.916 8.360 -0.071 0.000 0.453 174 H N -0.949 118.035 119.070 -0.142 0.000 2.352 174 H HA -0.340 4.096 4.556 -0.200 0.000 0.299 174 H C 1.947 177.251 175.328 -0.040 0.000 1.097 174 H CA 2.715 58.684 56.048 -0.131 0.000 1.311 174 H CB 0.046 29.764 29.762 -0.073 0.000 1.377 174 H HN -0.202 7.882 8.280 -0.327 0.000 0.504 175 K N -0.071 120.402 120.400 0.121 0.000 2.009 175 K HA -0.497 3.870 4.320 0.078 0.000 0.210 175 K C 2.244 178.879 176.600 0.058 0.000 1.049 175 K CA 3.977 60.310 56.287 0.078 0.000 0.929 175 K CB -0.151 32.387 32.500 0.063 0.000 0.714 175 K HN -0.391 7.851 8.250 0.113 0.076 0.440 176 E N -1.202 119.027 120.200 0.048 0.000 2.110 176 E HA -0.312 4.219 4.350 0.043 -0.155 0.193 176 E C 2.538 179.171 176.600 0.057 0.000 0.988 176 E CA 2.789 59.217 56.400 0.046 0.000 0.804 176 E CB -0.264 29.460 29.700 0.039 0.000 0.745 176 E HN -0.522 7.863 8.360 0.042 0.000 0.458 177 L N 0.138 121.401 121.223 0.066 0.000 1.994 177 L HA -0.387 4.003 4.340 0.083 0.000 0.208 177 L C 1.900 178.822 176.870 0.087 0.000 1.071 177 L CA 3.291 58.182 54.840 0.085 0.000 0.745 177 L CB 0.084 42.210 42.059 0.112 0.000 0.892 177 L HN -0.575 7.607 8.230 0.063 0.085 0.431 178 I N -1.971 118.645 120.570 0.078 0.000 2.264 178 I HA -0.663 3.547 4.170 0.065 0.000 0.248 178 I C 1.867 178.011 176.117 0.045 0.000 1.111 178 I CA 4.302 65.636 61.300 0.057 0.000 1.382 178 I CB -0.377 37.643 38.000 0.034 0.000 1.060 178 I HN -0.213 8.043 8.210 0.076 0.000 0.418 179 E N -0.412 119.816 120.200 0.047 0.000 2.051 179 E HA -0.466 3.904 4.350 0.034 0.000 0.192 179 E C 2.589 179.221 176.600 0.054 0.000 0.991 179 E CA 3.746 60.171 56.400 0.042 0.000 0.799 179 E CB -0.331 29.391 29.700 0.038 0.000 0.748 179 E HN -0.243 8.064 8.360 0.049 0.082 0.449 180 R N -1.610 118.930 120.500 0.067 0.000 2.091 180 R HA -0.324 4.061 4.340 0.077 0.000 0.238 180 R C 2.564 178.950 176.300 0.144 0.000 1.136 180 R CA 3.544 59.697 56.100 0.089 0.000 0.959 180 R CB -0.048 30.300 30.300 0.080 0.000 0.856 180 R HN -0.443 7.866 8.270 0.065 0.000 0.437 181 I N -0.325 120.323 120.570 0.129 0.000 2.202 181 I HA -0.452 3.892 4.170 0.291 0.000 0.242 181 I C 2.592 178.720 176.117 0.018 0.000 1.091 181 I CA 3.870 65.233 61.300 0.104 0.000 1.368 181 I CB -0.086 37.895 38.000 -0.031 0.000 1.058 181 I HN -0.315 7.871 8.210 0.098 0.083 0.410 182 I N 0.422 120.995 120.570 0.005 0.000 2.335 182 I HA -0.444 3.703 4.170 -0.037 0.000 0.251 182 I C 1.560 177.698 176.117 0.034 0.000 1.129 182 I CA 3.401 64.700 61.300 -0.003 0.000 1.402 182 I CB -0.110 37.890 38.000 -0.000 0.000 1.069 182 I HN 0.073 8.291 8.210 0.013 0.000 0.424 183 S N -2.874 112.864 115.700 0.064 0.000 2.603 183 S HA -0.014 4.488 4.470 0.052 0.000 0.229 183 S C 0.905 175.572 174.600 0.111 0.000 0.972 183 S CA 0.369 58.612 58.200 0.071 0.000 0.935 183 S CB 0.074 63.311 63.200 0.061 0.000 0.769 183 S HN -0.493 7.847 8.310 0.068 0.011 0.536 184 G N 1.050 109.971 108.800 0.201 0.000 2.168 184 G HA2 -0.345 3.960 3.960 0.576 0.000 0.257 184 G HA3 -0.345 3.744 3.960 0.215 0.000 0.257 184 G C -0.226 174.774 174.900 0.166 0.000 0.997 184 G CA 0.617 45.903 45.100 0.310 0.000 0.708 184 G HN -0.468 7.772 8.290 0.206 0.173 0.520 185 D N 0.731 121.217 120.400 0.143 0.000 2.551 185 D HA 0.114 4.728 4.640 -0.044 0.000 0.223 185 D C -0.269 175.969 176.300 -0.103 0.000 1.144 185 D CA -2.046 51.959 54.000 0.008 0.000 1.025 185 D CB -0.551 40.267 40.800 0.030 0.000 1.085 185 D HN -0.556 7.872 8.370 0.181 0.051 0.506 186 K N 4.339 124.458 120.400 -0.467 0.000 2.097 186 K HA -0.372 3.182 4.320 -1.278 0.000 0.206 186 K C 1.558 177.920 176.600 -0.396 0.000 1.049 186 K CA 3.311 59.030 56.287 -0.946 0.000 0.933 186 K CB 0.169 31.887 32.500 -1.303 0.000 0.717 186 K HN -0.378 7.570 8.250 -0.464 0.023 0.442 187 E N -2.321 117.728 120.200 -0.253 0.000 2.112 187 E HA -0.130 4.122 4.350 -0.163 0.000 0.190 187 E C 2.580 179.131 176.600 -0.083 0.000 0.979 187 E CA 1.812 58.120 56.400 -0.152 0.000 0.814 187 E CB -0.490 29.139 29.700 -0.118 0.000 0.762 187 E HN -0.346 7.860 8.360 -0.237 0.012 0.460 188 G N -0.846 107.918 108.800 -0.060 0.000 2.440 188 G HA2 -0.272 3.683 3.960 -0.009 0.000 0.218 188 G HA3 -0.272 3.966 3.960 -0.004 -0.281 0.218 188 G C 1.271 176.177 174.900 0.011 0.000 1.154 188 G CA 1.986 47.078 45.100 -0.014 0.000 0.767 188 G HN -0.102 8.460 8.290 -0.072 -0.315 0.552 189 A N 2.287 125.118 122.820 0.018 0.000 1.877 189 A HA -0.304 4.057 4.320 0.068 0.000 0.216 189 A C 1.673 179.268 177.584 0.018 0.000 1.186 189 A CA 2.842 54.913 52.037 0.056 0.000 0.620 189 A CB -0.411 18.692 19.000 0.171 0.000 0.822 189 A HN -0.251 7.900 8.150 0.001 0.000 0.443 190 I N -1.441 119.117 120.570 -0.020 0.000 2.179 190 I HA -0.593 3.557 4.170 -0.033 0.000 0.242 190 I C 1.506 177.632 176.117 0.016 0.000 1.088 190 I CA 4.390 65.675 61.300 -0.025 0.000 1.357 190 I CB 0.030 37.995 38.000 -0.058 0.000 1.051 190 I HN -0.515 7.667 8.210 -0.047 0.000 0.409 191 E N -0.163 120.046 120.200 0.014 0.000 2.106 191 E HA -0.410 3.960 4.350 0.035 0.000 0.192 191 E C 2.119 178.756 176.600 0.062 0.000 0.984 191 E CA 3.415 59.835 56.400 0.033 0.000 0.806 191 E CB -0.248 29.462 29.700 0.017 0.000 0.750 191 E HN -0.520 7.839 8.360 -0.001 0.000 0.458 192 K N 0.058 120.497 120.400 0.066 0.000 2.097 192 K HA -0.228 4.150 4.320 0.097 0.000 0.206 192 K C 2.374 179.070 176.600 0.160 0.000 1.049 192 K CA 2.127 58.472 56.287 0.098 0.000 0.933 192 K CB -0.567 31.983 32.500 0.083 0.000 0.717 192 K HN -0.437 7.844 8.250 0.051 0.000 0.442 193 L N -0.227 121.087 121.223 0.152 0.000 2.056 193 L HA -0.263 4.284 4.340 0.345 0.000 0.207 193 L C 1.187 178.203 176.870 0.243 0.000 1.078 193 L CA 3.176 58.161 54.840 0.242 0.000 0.749 193 L CB -0.363 41.792 42.059 0.162 0.000 0.901 193 L HN -0.188 8.014 8.230 0.103 0.090 0.433 194 K N -1.321 119.171 120.400 0.152 0.000 2.032 194 K HA -0.478 3.917 4.320 0.125 0.000 0.209 194 K C 2.038 178.713 176.600 0.126 0.000 1.048 194 K CA 4.204 60.564 56.287 0.122 0.000 0.927 194 K CB -0.427 32.123 32.500 0.082 0.000 0.712 194 K HN -0.335 7.986 8.250 0.119 0.000 0.441 195 E N -1.187 119.092 120.200 0.132 0.000 2.077 195 E HA -0.402 4.006 4.350 0.096 0.000 0.193 195 E C 2.013 178.715 176.600 0.170 0.000 0.989 195 E CA 3.122 59.597 56.400 0.125 0.000 0.800 195 E CB 0.059 29.825 29.700 0.111 0.000 0.746 195 E HN -0.375 8.061 8.360 0.127 0.000 0.452 196 H N 0.699 119.842 119.070 0.122 0.000 2.321 196 H HA -0.208 4.551 4.556 0.117 -0.133 0.300 196 H C 2.229 177.651 175.328 0.156 0.000 1.087 196 H CA 3.061 59.197 56.048 0.147 0.000 1.319 196 H CB -0.094 29.796 29.762 0.214 0.000 1.379 196 H HN -0.285 8.200 8.280 0.341 0.000 0.501 197 L N -1.601 119.594 121.223 -0.046 0.000 2.093 197 L HA -0.408 3.750 4.340 -0.304 0.000 0.208 197 L C 2.316 179.158 176.870 -0.048 0.000 1.085 197 L CA 3.035 57.798 54.840 -0.127 0.000 0.755 197 L CB -0.273 41.800 42.059 0.023 0.000 0.904 197 L HN -0.213 8.096 8.230 0.132 0.000 0.435 198 K N -0.691 119.718 120.400 0.016 0.000 2.097 198 K HA -0.246 4.085 4.320 0.019 0.000 0.205 198 K C 2.566 179.179 176.600 0.022 0.000 1.050 198 K CA 3.367 59.669 56.287 0.025 0.000 0.938 198 K CB -0.249 32.276 32.500 0.042 0.000 0.718 198 K HN 0.010 8.287 8.250 0.045 0.000 0.442 199 N N 0.125 118.844 118.700 0.031 0.000 2.058 199 N HA -0.251 4.513 4.740 0.041 0.000 0.191 199 N C 2.101 177.622 175.510 0.019 0.000 1.037 199 N CA 2.849 55.922 53.050 0.038 0.000 0.848 199 N CB -0.346 38.184 38.487 0.072 0.000 1.021 199 N HN -0.460 7.946 8.380 0.043 0.000 0.422 200 V N 0.429 120.330 119.914 -0.022 0.000 2.324 200 V HA -0.594 3.531 4.120 0.008 0.000 0.250 200 V C 1.840 177.932 176.094 -0.003 0.000 1.060 200 V CA 4.588 66.872 62.300 -0.026 0.000 1.042 200 V CB -0.142 31.614 31.823 -0.112 0.000 0.650 200 V HN 0.078 8.230 8.190 -0.062 0.000 0.450 201 E N -0.206 119.989 120.200 -0.008 0.000 2.051 201 E HA -0.389 3.967 4.350 0.011 0.000 0.192 201 E C 1.895 178.513 176.600 0.030 0.000 0.991 201 E CA 3.339 59.745 56.400 0.010 0.000 0.799 201 E CB -0.146 29.559 29.700 0.008 0.000 0.748 201 E HN -0.353 7.995 8.360 -0.020 0.000 0.449 202 A N -1.005 121.834 122.820 0.031 0.000 1.933 202 A HA -0.249 4.098 4.320 0.044 0.000 0.218 202 A C 2.508 180.122 177.584 0.051 0.000 1.175 202 A CA 3.182 55.244 52.037 0.041 0.000 0.628 202 A CB -0.899 18.124 19.000 0.038 0.000 0.814 202 A HN -0.295 7.871 8.150 0.027 0.000 0.444 203 E N -2.428 117.800 120.200 0.047 0.000 2.158 203 E HA -0.206 4.181 4.350 0.061 0.000 0.191 203 E C 2.631 179.273 176.600 0.069 0.000 0.982 203 E CA 2.607 59.041 56.400 0.056 0.000 0.823 203 E CB -0.190 29.538 29.700 0.046 0.000 0.766 203 E HN -0.433 7.848 8.360 0.039 0.102 0.468 204 T N 2.113 116.704 114.554 0.062 0.000 2.777 204 T HA -0.302 4.096 4.350 0.080 0.000 0.266 204 T C 1.217 175.970 174.700 0.088 0.000 1.040 204 T CA 4.337 66.480 62.100 0.071 0.000 1.141 204 T CB 0.039 68.937 68.868 0.051 0.000 0.868 204 T HN -0.140 8.130 8.240 0.051 0.000 0.444 205 I N -0.923 119.696 120.570 0.083 0.000 2.208 205 I HA -0.373 3.855 4.170 0.096 0.000 0.245 205 I C 2.186 178.383 176.117 0.132 0.000 1.097 205 I CA 2.740 64.097 61.300 0.096 0.000 1.363 205 I CB -0.616 37.431 38.000 0.078 0.000 1.051 205 I HN -0.563 7.690 8.210 0.071 0.000 0.413 206 K N -1.840 118.639 120.400 0.131 0.000 2.097 206 K HA -0.332 4.112 4.320 0.206 0.000 0.206 206 K C 1.954 178.702 176.600 0.246 0.000 1.049 206 K CA 3.299 59.698 56.287 0.187 0.000 0.933 206 K CB -0.423 32.164 32.500 0.145 0.000 0.717 206 K HN -0.644 7.671 8.250 0.107 0.000 0.442 207 N N -1.779 117.004 118.700 0.138 0.000 2.515 207 N HA -0.096 4.618 4.740 -0.044 0.000 0.185 207 N C 0.661 176.149 175.510 -0.037 0.000 1.109 207 N CA 0.996 54.063 53.050 0.027 0.000 0.903 207 N CB 0.199 38.733 38.487 0.079 0.000 0.969 207 N HN -0.626 7.723 8.380 0.123 0.104 0.450 208 L N -0.602 120.691 121.223 0.117 0.000 2.156 208 L HA -0.195 4.304 4.340 0.266 0.000 0.208 208 L C 0.864 177.825 176.870 0.151 0.000 1.095 208 L CA 2.317 57.265 54.840 0.180 0.000 0.770 208 L CB -0.163 41.986 42.059 0.151 0.000 0.914 208 L HN -0.800 7.457 8.230 0.168 0.074 0.439 209 Y N -6.668 113.705 120.300 0.122 0.000 2.574 209 Y HA -0.206 4.395 4.550 0.085 0.000 0.294 209 Y C 0.610 176.540 175.900 0.050 0.000 1.142 209 Y CA 0.629 58.776 58.100 0.079 0.000 1.314 209 Y CB -1.174 37.313 38.460 0.044 0.000 0.991 209 Y HN -0.295 8.169 8.280 0.306 0.000 0.555 210 T N -2.925 111.151 114.554 -0.796 0.000 3.118 210 T HA -0.189 3.823 4.350 -0.564 0.000 0.260 210 T C 0.237 174.689 174.700 -0.414 0.000 1.139 210 T CA 0.999 62.696 62.100 -0.671 0.000 1.085 210 T CB 0.592 69.007 68.868 -0.754 0.000 0.934 210 T HN -0.655 7.041 8.240 -0.819 0.052 0.518 211 Y N 1.086 121.371 120.300 -0.026 0.000 2.326 211 Y HA 0.112 4.787 4.550 0.207 0.000 0.337 211 Y C -0.560 175.382 175.900 0.069 0.000 1.023 211 Y CA -1.050 57.096 58.100 0.076 0.000 1.143 211 Y CB 1.450 39.911 38.460 0.001 0.000 1.183 211 Y HN -0.535 7.627 8.280 0.075 0.163 0.485 212 E N 4.375 124.712 120.200 0.227 0.000 2.606 212 E HA -0.181 4.228 4.350 0.099 0.000 0.248 212 E C -0.265 176.404 176.600 0.115 0.000 1.005 212 E CA 1.640 58.122 56.400 0.135 0.000 0.946 212 E CB -0.459 29.316 29.700 0.126 0.000 0.928 212 E HN 0.369 8.910 8.360 0.302 0.000 0.494 213 R N -0.173 120.380 120.500 0.088 0.000 4.180 213 R HA -0.347 4.028 4.340 0.059 0.000 0.279 213 R C -0.426 175.916 176.300 0.069 0.000 0.241 213 R CA 0.141 56.281 56.100 0.067 0.000 0.955 213 R CB -1.345 28.986 30.300 0.052 0.000 1.154 213 R HN 0.271 8.590 8.270 0.083 0.000 0.480 214 S N 0.000 115.725 115.700 0.041 0.000 2.498 214 S HA 0.000 4.695 4.470 0.014 -0.217 0.327 214 S CA 0.000 58.219 58.200 0.032 0.000 1.107 214 S CB 0.000 63.212 63.200 0.020 0.000 0.593 214 S HN 0.000 8.401 8.310 0.030 -0.073 0.517