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 2pjh_1_B DATA FIRST_RESID 21 DATA SEQUENCE NRPNRLIVDE AINEDNSVVS LSQPKMDELQ LFRGDTVLLK GKKRREAVCI DATA SEQUENCE VLSDDTCSDE KIRMNRVVRN NLRVRLGDVI SIQPCPDVKY GKRIHVLPID DATA SEQUENCE DTVEGITGNL FEVYLKPYFL EAYRPIRKGD IFLVRGGMRA VEFKVVETDP DATA SEQUENCE SPYCIVAPDT VIHCEGEPIK REDEEESLNE VGYDDVGGCR KQL 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 21 N HA 0.000 4.738 4.740 -0.004 0.000 0.220 21 N C 0.000 175.507 175.510 -0.005 0.000 1.280 21 N CA 0.000 53.047 53.050 -0.005 0.000 0.885 21 N CB 0.000 38.484 38.487 -0.004 0.000 1.341 22 R N -0.738 119.759 120.500 -0.006 0.000 1.955 22 R HA -0.137 4.198 4.340 -0.008 0.000 0.380 22 R C -1.350 174.944 176.300 -0.010 0.000 1.164 22 R CA 0.211 56.307 56.100 -0.007 0.000 0.888 22 R CB -1.231 29.066 30.300 -0.005 0.000 2.758 22 R HN 0.124 8.391 8.270 -0.006 0.000 0.488 23 P HA -0.032 4.380 4.420 -0.014 0.000 0.233 23 P C -0.794 176.495 177.300 -0.017 0.000 1.167 23 P CA 1.215 64.306 63.100 -0.015 0.000 0.770 23 P CB 0.121 31.810 31.700 -0.018 0.000 0.837 24 N N -4.707 113.984 118.700 -0.016 0.000 2.467 24 N HA -0.161 4.566 4.740 -0.021 0.000 0.184 24 N C -0.690 174.812 175.510 -0.014 0.000 1.106 24 N CA 0.404 53.444 53.050 -0.017 0.000 0.892 24 N CB -0.687 37.791 38.487 -0.016 0.000 0.969 24 N HN 0.033 8.339 8.380 -0.014 0.065 0.454 25 R N -0.044 120.449 120.500 -0.011 0.000 2.229 25 R HA 0.712 5.300 4.340 -0.009 -0.253 0.332 25 R C -1.076 175.218 176.300 -0.010 0.000 0.989 25 R CA -0.363 55.731 56.100 -0.009 0.000 0.842 25 R CB 0.863 31.159 30.300 -0.006 0.000 1.119 25 R HN -0.737 7.457 8.270 -0.011 0.069 0.456 26 L N 2.808 124.025 121.223 -0.010 0.000 2.350 26 L HA 0.373 4.775 4.340 -0.010 -0.069 0.260 26 L C -1.460 175.404 176.870 -0.009 0.000 1.015 26 L CA -1.139 53.695 54.840 -0.010 0.000 0.821 26 L CB 4.938 46.989 42.059 -0.013 0.000 1.370 26 L HN 0.327 8.551 8.230 -0.010 0.000 0.416 27 I N -0.053 120.511 120.570 -0.009 0.000 2.371 27 I HA 0.345 4.727 4.170 -0.006 -0.216 0.290 27 I C -0.089 176.023 176.117 -0.010 0.000 1.028 27 I CA -0.440 60.855 61.300 -0.008 0.000 1.345 27 I CB 0.633 38.628 38.000 -0.009 0.000 1.407 27 I HN 0.715 8.809 8.210 -0.010 0.110 0.501 28 V N 7.441 127.350 119.914 -0.008 0.000 2.572 28 V HA 0.088 4.367 4.120 -0.010 -0.165 0.291 28 V C -1.874 174.212 176.094 -0.013 0.000 1.039 28 V CA 0.279 62.574 62.300 -0.008 0.000 1.055 28 V CB 1.193 33.014 31.823 -0.004 0.000 0.969 28 V HN 0.596 8.782 8.190 -0.006 0.000 0.482 29 D N 8.257 128.647 120.400 -0.017 0.000 2.714 29 D HA 0.261 4.883 4.640 -0.030 0.000 0.278 29 D C -1.581 174.699 176.300 -0.032 0.000 1.102 29 D CA -1.690 52.293 54.000 -0.027 0.000 1.108 29 D CB 3.919 44.702 40.800 -0.029 0.000 1.444 29 D HN 0.719 9.080 8.370 -0.015 0.000 0.568 30 E N -1.856 118.313 120.200 -0.052 0.000 2.374 30 E HA 0.080 4.404 4.350 -0.044 0.000 0.260 30 E C -0.668 175.909 176.600 -0.039 0.000 1.101 30 E CA 0.317 56.682 56.400 -0.058 0.000 0.907 30 E CB 1.164 30.796 29.700 -0.112 0.000 1.014 30 E HN 0.162 8.484 8.360 -0.062 0.000 0.427 31 A N 0.027 122.831 122.820 -0.027 0.000 2.356 31 A HA 0.324 4.633 4.320 -0.017 0.000 0.323 31 A C -0.377 177.200 177.584 -0.012 0.000 1.119 31 A CA -0.794 51.234 52.037 -0.015 0.000 0.790 31 A CB 1.883 20.881 19.000 -0.003 0.000 1.273 31 A HN 0.274 8.409 8.150 -0.025 0.000 0.452 32 I N -1.514 119.051 120.570 -0.009 0.000 3.226 32 I HA -0.020 4.146 4.170 -0.007 0.000 0.277 32 I C 0.104 176.224 176.117 0.005 0.000 1.243 32 I CA 0.304 61.601 61.300 -0.005 0.000 1.459 32 I CB -0.506 37.491 38.000 -0.006 0.000 1.093 32 I HN 0.321 8.526 8.210 -0.009 0.000 0.453 33 N N 1.256 119.960 118.700 0.006 0.000 2.479 33 N HA -0.020 4.727 4.740 0.013 0.000 0.285 33 N C -0.531 174.990 175.510 0.020 0.000 1.075 33 N CA -0.029 53.028 53.050 0.012 0.000 0.967 33 N CB 1.389 39.882 38.487 0.009 0.000 1.137 33 N HN -0.197 8.147 8.380 0.003 0.038 0.472 34 E N 1.366 121.582 120.200 0.026 0.000 2.403 34 E HA 0.001 4.374 4.350 0.038 0.000 0.188 34 E C -1.232 175.394 176.600 0.044 0.000 1.056 34 E CA -0.597 55.826 56.400 0.037 0.000 0.892 34 E CB -0.024 29.700 29.700 0.041 0.000 1.049 34 E HN 0.213 8.587 8.360 0.024 0.000 0.465 35 D N 0.720 121.141 120.400 0.035 0.000 2.383 35 D HA -0.083 4.583 4.640 0.043 0.000 0.252 35 D C 0.443 176.771 176.300 0.047 0.000 1.166 35 D CA 0.372 54.393 54.000 0.036 0.000 0.879 35 D CB 1.214 42.025 40.800 0.017 0.000 1.164 35 D HN -0.591 7.863 8.370 0.026 -0.068 0.462 36 N N 5.447 124.190 118.700 0.070 0.000 2.494 36 N HA -0.040 4.747 4.740 0.078 0.000 0.182 36 N C -0.303 175.247 175.510 0.067 0.000 1.076 36 N CA 1.539 54.642 53.050 0.088 0.000 0.908 36 N CB 0.407 38.983 38.487 0.148 0.000 0.967 36 N HN 0.410 8.839 8.380 0.081 0.000 0.449 37 S N -1.838 113.885 115.700 0.038 0.000 2.835 37 S HA 0.282 4.768 4.470 0.028 0.000 0.248 37 S C -2.111 172.493 174.600 0.007 0.000 1.070 37 S CA -0.433 57.778 58.200 0.019 0.000 1.090 37 S CB 0.806 64.005 63.200 -0.001 0.000 0.978 37 S HN 0.041 8.665 8.310 0.031 -0.296 0.510 38 V N 1.887 121.807 119.914 0.011 0.000 2.888 38 V HA 0.674 4.962 4.120 0.002 -0.167 0.309 38 V C -2.036 174.062 176.094 0.006 0.000 1.114 38 V CA -1.503 60.800 62.300 0.005 0.000 0.940 38 V CB 4.097 35.922 31.823 0.004 0.000 1.021 38 V HN -0.845 7.357 8.190 0.019 0.000 0.426 39 V N 1.297 121.212 119.914 0.001 0.000 2.960 39 V HA 0.724 4.916 4.120 0.001 -0.072 0.315 39 V C -1.933 174.160 176.094 -0.003 0.000 1.087 39 V CA -3.209 59.090 62.300 -0.001 0.000 0.982 39 V CB 3.181 35.001 31.823 -0.006 0.000 1.039 39 V HN 1.174 9.259 8.190 -0.000 0.105 0.437 40 S N 1.090 116.787 115.700 -0.005 0.000 2.482 40 S HA 0.936 5.614 4.470 -0.005 -0.211 0.303 40 S C -1.268 173.326 174.600 -0.010 0.000 1.091 40 S CA -1.478 56.719 58.200 -0.006 0.000 1.057 40 S CB 1.896 65.093 63.200 -0.006 0.000 1.031 40 S HN 0.755 8.941 8.310 -0.006 0.120 0.485 41 L N 2.301 123.518 121.223 -0.010 0.000 2.376 41 L HA 0.492 4.824 4.340 -0.014 0.000 0.258 41 L C -1.363 175.500 176.870 -0.013 0.000 1.013 41 L CA -1.452 53.380 54.840 -0.013 0.000 0.822 41 L CB 5.262 47.311 42.059 -0.017 0.000 1.388 41 L HN 0.982 9.207 8.230 -0.008 0.000 0.413 42 S N -0.185 115.506 115.700 -0.014 0.000 2.580 42 S HA 0.141 4.831 4.470 -0.011 -0.226 0.274 42 S C 1.075 175.667 174.600 -0.014 0.000 1.329 42 S CA -1.000 57.192 58.200 -0.013 0.000 1.036 42 S CB 1.240 64.432 63.200 -0.013 0.000 0.919 42 S HN 0.438 8.739 8.310 -0.015 0.000 0.515 43 Q N 5.330 125.123 119.800 -0.011 0.000 2.045 43 Q HA -0.189 4.144 4.340 -0.012 0.000 0.206 43 Q C -0.329 175.661 176.000 -0.016 0.000 0.991 43 Q CA 4.716 60.512 55.803 -0.011 0.000 0.851 43 Q CB -2.251 26.483 28.738 -0.007 0.000 0.911 43 Q HN 0.922 9.187 8.270 -0.009 0.000 0.418 44 P HA -0.235 4.175 4.420 -0.016 0.000 0.216 44 P C 1.534 178.821 177.300 -0.022 0.000 1.153 44 P CA 2.897 65.987 63.100 -0.016 0.000 0.858 44 P CB -0.881 30.811 31.700 -0.013 0.000 0.789 45 K N -3.007 117.380 120.400 -0.022 0.000 2.097 45 K HA -0.182 4.122 4.320 -0.025 0.000 0.205 45 K C 2.281 178.860 176.600 -0.035 0.000 1.050 45 K CA 2.297 58.568 56.287 -0.026 0.000 0.938 45 K CB -1.163 31.323 32.500 -0.023 0.000 0.718 45 K HN 0.051 8.279 8.250 -0.019 0.011 0.442 46 M N -0.409 119.170 119.600 -0.036 0.000 2.213 46 M HA -0.377 4.069 4.480 -0.056 0.000 0.263 46 M C 1.987 178.247 176.300 -0.066 0.000 1.062 46 M CA 4.284 59.554 55.300 -0.050 0.000 1.105 46 M CB -0.244 32.333 32.600 -0.038 0.000 1.385 46 M HN 0.090 8.276 8.290 -0.028 0.086 0.417 47 D N -0.767 119.603 120.400 -0.050 0.000 2.149 47 D HA -0.106 4.495 4.640 -0.065 0.000 0.201 47 D C 2.421 178.688 176.300 -0.056 0.000 0.972 47 D CA 2.755 56.723 54.000 -0.052 0.000 0.835 47 D CB -0.189 40.592 40.800 -0.032 0.000 0.966 47 D HN -0.246 7.983 8.370 -0.037 0.118 0.476 48 E N -0.868 119.304 120.200 -0.046 0.000 2.106 48 E HA -0.232 4.095 4.350 -0.037 0.000 0.192 48 E C 1.916 178.484 176.600 -0.052 0.000 0.984 48 E CA 2.114 58.489 56.400 -0.041 0.000 0.806 48 E CB 0.241 29.922 29.700 -0.032 0.000 0.750 48 E HN -0.567 7.677 8.360 -0.040 0.092 0.458 49 L N -4.268 116.917 121.223 -0.064 0.000 2.567 49 L HA 0.045 4.348 4.340 -0.061 0.000 0.225 49 L C -0.780 176.021 176.870 -0.116 0.000 1.119 49 L CA -0.195 54.600 54.840 -0.075 0.000 0.871 49 L CB 0.515 42.534 42.059 -0.066 0.000 1.036 49 L HN -0.511 7.666 8.230 -0.062 0.016 0.459 50 Q N -2.590 117.126 119.800 -0.140 0.000 2.456 50 Q HA -0.371 3.845 4.340 -0.207 0.000 0.325 50 Q C -1.464 174.310 176.000 -0.377 0.000 1.453 50 Q CA 0.476 56.143 55.803 -0.227 0.000 0.848 50 Q CB -2.302 26.318 28.738 -0.197 0.000 1.123 50 Q HN -0.538 7.476 8.270 -0.110 0.190 0.374 51 L N -0.525 120.506 121.223 -0.319 0.000 2.331 51 L HA 0.159 4.240 4.340 -0.432 0.000 0.275 51 L C -0.374 176.295 176.870 -0.336 0.000 1.022 51 L CA -0.852 53.788 54.840 -0.333 0.000 0.812 51 L CB 1.126 43.100 42.059 -0.141 0.000 1.257 51 L HN -0.052 8.048 8.230 -0.216 0.000 0.435 52 F N 2.359 122.305 119.950 -0.006 0.000 2.364 52 F HA 0.086 4.609 4.527 -0.007 0.000 0.242 52 F C 0.820 176.615 175.800 -0.009 0.000 0.885 52 F CA 0.005 58.000 58.000 -0.008 0.000 1.095 52 F CB 0.335 39.330 39.000 -0.008 0.000 2.077 52 F HN -0.234 7.977 8.300 -0.149 0.000 0.628 53 R N -0.215 120.429 120.500 0.240 0.000 2.029 53 R HA -0.076 4.316 4.340 0.086 0.000 0.210 53 R C 1.995 178.344 176.300 0.081 0.000 1.272 53 R CA 1.179 57.344 56.100 0.108 0.000 0.998 53 R CB 0.290 30.629 30.300 0.064 0.000 0.823 53 R HN -0.030 8.418 8.270 0.297 0.000 0.481 54 G N 0.518 109.355 108.800 0.062 0.000 3.943 54 G HA2 0.078 4.059 3.960 0.035 0.000 0.275 54 G HA3 0.078 4.049 3.960 0.019 0.000 0.275 54 G C -1.605 173.330 174.900 0.058 0.000 1.234 54 G CA -1.062 44.062 45.100 0.040 0.000 1.522 54 G HN 0.064 8.385 8.290 0.051 0.000 0.636 55 D N 0.998 121.456 120.400 0.097 0.000 2.339 55 D HA 0.027 4.747 4.640 0.133 0.000 0.245 55 D C -0.922 175.417 176.300 0.066 0.000 1.115 55 D CA -0.358 53.715 54.000 0.121 0.000 0.917 55 D CB 2.196 43.101 40.800 0.175 0.000 1.192 55 D HN -0.766 7.587 8.370 0.102 0.079 0.428 56 T N 4.204 118.797 114.554 0.066 0.000 2.747 56 T HA 0.290 4.787 4.350 0.024 -0.133 0.301 56 T C -0.416 174.296 174.700 0.019 0.000 0.952 56 T CA -0.155 61.968 62.100 0.039 0.000 0.983 56 T CB -0.283 68.618 68.868 0.054 0.000 0.930 56 T HN 0.327 8.621 8.240 0.091 0.000 0.494 57 V N 3.476 123.387 119.914 -0.006 0.000 2.532 57 V HA 0.463 4.573 4.120 -0.017 0.000 0.295 57 V C -2.731 173.325 176.094 -0.062 0.000 1.041 57 V CA -2.618 59.667 62.300 -0.026 0.000 0.926 57 V CB 1.650 33.458 31.823 -0.025 0.000 0.992 57 V HN 0.919 9.105 8.190 -0.007 0.000 0.457 58 L N 5.536 126.714 121.223 -0.075 0.000 2.272 58 L HA 0.521 4.886 4.340 -0.183 -0.135 0.289 58 L C -1.793 175.028 176.870 -0.082 0.000 1.032 58 L CA -1.479 53.285 54.840 -0.127 0.000 0.810 58 L CB 1.961 43.936 42.059 -0.140 0.000 1.205 58 L HN 0.729 8.812 8.230 -0.050 0.117 0.422 59 L N 7.705 128.878 121.223 -0.084 0.000 2.276 59 L HA 0.633 5.156 4.340 -0.038 -0.205 0.286 59 L C -0.711 176.136 176.870 -0.039 0.000 1.024 59 L CA -1.395 53.416 54.840 -0.048 0.000 0.826 59 L CB 0.614 42.651 42.059 -0.036 0.000 1.211 59 L HN 1.304 9.354 8.230 -0.113 0.113 0.422 60 K N 3.521 123.908 120.400 -0.022 0.000 2.248 60 K HA 0.284 4.600 4.320 -0.007 0.000 0.281 60 K C -0.214 176.386 176.600 -0.001 0.000 1.054 60 K CA -0.410 55.873 56.287 -0.007 0.000 0.903 60 K CB 0.964 33.465 32.500 0.002 0.000 1.077 60 K HN 0.785 8.913 8.250 -0.021 0.109 0.474 61 G N 4.827 113.630 108.800 0.005 0.000 3.134 61 G HA2 0.606 4.568 3.960 0.005 0.000 0.158 61 G HA3 0.606 4.725 3.960 0.009 -0.154 0.158 61 G C -1.345 173.562 174.900 0.012 0.000 1.334 61 G CA -1.452 43.652 45.100 0.008 0.000 1.001 61 G HN 0.539 8.834 8.290 0.007 0.000 0.600 62 K N -0.920 119.488 120.400 0.014 0.000 2.177 62 K HA 0.197 4.525 4.320 0.014 0.000 0.238 62 K C 0.559 177.170 176.600 0.019 0.000 1.015 62 K CA -1.375 54.921 56.287 0.015 0.000 0.922 62 K CB 1.294 33.802 32.500 0.013 0.000 1.127 62 K HN -0.019 8.240 8.250 0.014 0.000 0.469 63 K N -2.598 117.813 120.400 0.018 0.000 3.088 63 K HA -0.364 3.967 4.320 0.019 0.000 0.273 63 K C -0.651 175.964 176.600 0.025 0.000 1.111 63 K CA 1.046 57.345 56.287 0.021 0.000 0.803 63 K CB -1.735 30.777 32.500 0.021 0.000 1.226 63 K HN 0.729 8.989 8.250 0.016 0.000 0.485 64 R N -4.849 115.666 120.500 0.025 0.000 3.770 64 R HA -0.373 3.984 4.340 0.029 0.000 0.305 64 R C -1.229 175.094 176.300 0.039 0.000 1.184 64 R CA 0.799 56.918 56.100 0.031 0.000 0.823 64 R CB -1.569 28.750 30.300 0.031 0.000 1.285 64 R HN 0.242 8.486 8.270 0.022 0.040 0.499 65 R N -0.312 120.210 120.500 0.036 0.000 2.460 65 R HA 0.227 4.601 4.340 0.056 0.000 0.303 65 R C -1.904 174.416 176.300 0.034 0.000 0.968 65 R CA -0.890 55.236 56.100 0.043 0.000 0.889 65 R CB 2.312 32.637 30.300 0.041 0.000 1.123 65 R HN -0.502 7.647 8.270 0.030 0.139 0.455 66 E N 3.785 124.008 120.200 0.038 0.000 2.256 66 E HA 0.893 5.386 4.350 -0.008 -0.148 0.267 66 E C -1.522 175.059 176.600 -0.031 0.000 0.892 66 E CA -1.482 54.916 56.400 -0.002 0.000 0.775 66 E CB 3.844 33.538 29.700 -0.010 0.000 1.207 66 E HN 0.322 8.719 8.360 0.063 0.000 0.420 67 A N 0.944 123.722 122.820 -0.069 0.000 2.423 67 A HA 0.486 4.766 4.320 -0.067 0.000 0.304 67 A C -2.720 174.774 177.584 -0.150 0.000 1.104 67 A CA -1.518 50.472 52.037 -0.078 0.000 0.757 67 A CB 3.454 22.443 19.000 -0.019 0.000 1.313 67 A HN 1.059 9.061 8.150 -0.065 0.109 0.423 68 V N -1.070 118.753 119.914 -0.151 0.000 2.495 68 V HA 0.960 5.156 4.120 -0.170 -0.179 0.298 68 V C -0.639 175.417 176.094 -0.062 0.000 1.031 68 V CA -1.915 60.290 62.300 -0.157 0.000 0.871 68 V CB 1.221 32.909 31.823 -0.225 0.000 0.988 68 V HN 0.467 8.599 8.190 -0.098 0.000 0.432 69 C N 2.251 121.523 119.300 -0.045 0.000 3.340 69 C HA 0.230 4.684 4.460 -0.011 0.000 0.333 69 C C -2.056 172.928 174.990 -0.011 0.000 1.464 69 C CA -2.157 56.850 59.018 -0.018 0.000 1.337 69 C CB 4.997 32.731 27.740 -0.011 0.000 1.740 69 C HN 0.699 8.895 8.230 -0.057 0.000 0.450 70 I N -0.150 120.419 120.570 -0.003 0.000 2.385 70 I HA 0.622 5.009 4.170 0.009 -0.211 0.294 70 I C -0.890 175.228 176.117 0.003 0.000 0.988 70 I CA -2.205 59.098 61.300 0.004 0.000 1.265 70 I CB 0.949 38.952 38.000 0.005 0.000 1.388 70 I HN 0.141 8.349 8.210 -0.003 0.000 0.480 71 V N 7.095 127.012 119.914 0.006 0.000 2.439 71 V HA 0.337 4.604 4.120 -0.002 -0.148 0.282 71 V C -2.034 174.063 176.094 0.006 0.000 1.039 71 V CA -1.689 60.612 62.300 0.001 0.000 0.913 71 V CB 1.527 33.347 31.823 -0.005 0.000 0.983 71 V HN -0.437 7.760 8.190 0.013 0.000 0.460 72 L N 7.758 128.982 121.223 0.002 0.000 2.362 72 L HA 0.461 4.806 4.340 0.008 0.000 0.271 72 L C -0.846 176.024 176.870 0.001 0.000 1.002 72 L CA -1.680 53.163 54.840 0.004 0.000 0.818 72 L CB 3.855 45.916 42.059 0.003 0.000 1.298 72 L HN 0.788 8.915 8.230 -0.001 0.103 0.420 73 S N 1.933 117.635 115.700 0.002 0.000 2.505 73 S HA 0.426 5.100 4.470 -0.004 -0.206 0.276 73 S C -1.027 173.572 174.600 -0.002 0.000 1.274 73 S CA 0.537 58.736 58.200 -0.001 0.000 1.053 73 S CB 0.786 63.987 63.200 0.002 0.000 0.919 73 S HN 0.327 8.640 8.310 0.006 0.000 0.490 74 D N 4.468 124.865 120.400 -0.005 0.000 2.896 74 D HA 0.197 4.835 4.640 -0.004 0.000 0.241 74 D C -0.188 176.108 176.300 -0.006 0.000 1.188 74 D CA -1.004 52.993 54.000 -0.005 0.000 0.879 74 D CB 3.143 43.940 40.800 -0.006 0.000 1.553 74 D HN 0.579 8.837 8.370 -0.006 0.108 0.515 75 D N 3.423 123.820 120.400 -0.006 0.000 2.323 75 D HA -0.095 4.541 4.640 -0.007 0.000 0.209 75 D C -0.245 176.051 176.300 -0.008 0.000 0.973 75 D CA 1.583 55.579 54.000 -0.006 0.000 0.874 75 D CB -0.453 40.344 40.800 -0.005 0.000 0.930 75 D HN 0.449 8.816 8.370 -0.005 0.000 0.521 76 T N -0.744 113.805 114.554 -0.009 0.000 3.129 76 T HA 0.026 4.370 4.350 -0.010 0.000 0.251 76 T C -0.338 174.355 174.700 -0.013 0.000 1.117 76 T CA 0.633 62.727 62.100 -0.011 0.000 1.034 76 T CB 0.040 68.901 68.868 -0.011 0.000 0.968 76 T HN -0.418 8.152 8.240 -0.008 -0.334 0.526 77 C N 2.624 121.917 119.300 -0.012 0.000 2.452 77 C HA 0.001 4.452 4.460 -0.015 0.000 0.379 77 C C -0.613 174.370 174.990 -0.013 0.000 1.275 77 C CA 0.194 59.204 59.018 -0.013 0.000 2.056 77 C CB 1.351 29.084 27.740 -0.013 0.000 2.506 77 C HN -0.769 7.270 8.230 -0.010 0.185 0.560 78 S N 5.253 120.945 115.700 -0.014 0.000 2.633 78 S HA 0.018 4.480 4.470 -0.012 0.000 0.257 78 S C -0.063 174.529 174.600 -0.013 0.000 1.265 78 S CA 0.221 58.414 58.200 -0.013 0.000 0.980 78 S CB 0.921 64.113 63.200 -0.013 0.000 1.017 78 S HN 0.012 8.313 8.310 -0.015 0.000 0.577 79 D N 0.172 120.564 120.400 -0.012 0.000 2.327 79 D HA 0.063 4.695 4.640 -0.013 0.000 0.205 79 D C 1.039 177.332 176.300 -0.012 0.000 0.989 79 D CA 2.286 56.279 54.000 -0.012 0.000 0.873 79 D CB 0.735 41.528 40.800 -0.011 0.000 0.955 79 D HN 0.398 8.761 8.370 -0.011 0.000 0.515 80 E N -3.609 116.584 120.200 -0.012 0.000 2.583 80 E HA 0.052 4.395 4.350 -0.012 0.000 0.213 80 E C -1.125 175.468 176.600 -0.012 0.000 0.989 80 E CA -0.441 55.952 56.400 -0.011 0.000 0.991 80 E CB 0.835 30.529 29.700 -0.010 0.000 1.040 80 E HN 0.004 8.357 8.360 -0.012 0.000 0.481 81 K N -1.508 118.885 120.400 -0.013 0.000 2.328 81 K HA 0.784 5.346 4.320 -0.013 -0.250 0.246 81 K C -2.152 174.439 176.600 -0.014 0.000 0.955 81 K CA -1.324 54.955 56.287 -0.014 0.000 0.817 81 K CB 3.906 36.397 32.500 -0.015 0.000 1.208 81 K HN -0.611 7.571 8.250 -0.013 0.059 0.432 82 I N 1.272 121.834 120.570 -0.014 0.000 2.498 82 I HA 0.557 4.719 4.170 -0.014 0.000 0.290 82 I C -2.572 173.537 176.117 -0.013 0.000 1.032 82 I CA -2.608 58.683 61.300 -0.014 0.000 1.073 82 I CB 4.249 42.241 38.000 -0.013 0.000 1.251 82 I HN 0.958 9.053 8.210 -0.014 0.107 0.426 83 R N 7.489 127.982 120.500 -0.013 0.000 2.312 83 R HA 0.267 4.753 4.340 -0.016 -0.155 0.311 83 R C -0.747 175.549 176.300 -0.008 0.000 1.004 83 R CA -1.038 55.054 56.100 -0.013 0.000 0.902 83 R CB 1.259 31.551 30.300 -0.014 0.000 1.073 83 R HN 0.593 8.855 8.270 -0.012 0.000 0.457 84 M N 0.576 120.173 119.600 -0.005 0.000 2.644 84 M HA 0.527 5.009 4.480 0.004 0.000 0.273 84 M C -2.533 173.773 176.300 0.009 0.000 1.253 84 M CA -0.830 54.472 55.300 0.003 0.000 0.852 84 M CB 4.469 37.071 32.600 0.004 0.000 1.708 84 M HN -0.115 8.170 8.290 -0.008 0.000 0.471 85 N N -0.282 118.430 118.700 0.019 0.000 2.347 85 N HA 0.098 4.854 4.740 0.027 0.000 0.253 85 N C 1.223 176.754 175.510 0.035 0.000 1.274 85 N CA -1.045 52.023 53.050 0.029 0.000 0.941 85 N CB 1.127 39.638 38.487 0.040 0.000 1.200 85 N HN 0.256 8.648 8.380 0.020 0.000 0.514 86 R N -0.067 120.461 120.500 0.046 0.000 2.092 86 R HA -0.316 4.053 4.340 0.049 0.000 0.231 86 R C 1.220 177.547 176.300 0.045 0.000 1.119 86 R CA 3.266 59.397 56.100 0.052 0.000 0.970 86 R CB 0.035 30.375 30.300 0.068 0.000 0.864 86 R HN 0.442 8.742 8.270 0.050 0.000 0.440 87 V N 0.076 120.019 119.914 0.048 0.000 2.233 87 V HA -0.387 3.758 4.120 0.043 0.000 0.247 87 V C 1.972 178.095 176.094 0.048 0.000 1.050 87 V CA 3.592 65.922 62.300 0.050 0.000 1.010 87 V CB -0.926 30.937 31.823 0.066 0.000 0.637 87 V HN -0.517 7.770 8.190 0.051 -0.066 0.444 88 V N -0.882 119.060 119.914 0.046 0.000 2.332 88 V HA -0.478 3.668 4.120 0.043 0.000 0.248 88 V C 2.102 178.214 176.094 0.029 0.000 1.055 88 V CA 3.905 66.228 62.300 0.038 0.000 1.038 88 V CB -0.942 30.898 31.823 0.029 0.000 0.651 88 V HN 0.352 8.999 8.190 0.048 -0.428 0.450 89 R N -0.171 120.345 120.500 0.027 0.000 2.080 89 R HA -0.400 3.950 4.340 0.018 0.000 0.236 89 R C 2.208 178.523 176.300 0.025 0.000 1.137 89 R CA 3.862 59.976 56.100 0.023 0.000 0.943 89 R CB -0.263 30.052 30.300 0.024 0.000 0.846 89 R HN -0.471 7.807 8.270 0.030 0.010 0.431 90 N N -1.605 117.113 118.700 0.029 0.000 2.188 90 N HA -0.239 4.516 4.740 0.025 0.000 0.184 90 N C 2.507 178.033 175.510 0.027 0.000 1.018 90 N CA 3.017 56.083 53.050 0.027 0.000 0.858 90 N CB -0.356 38.147 38.487 0.027 0.000 0.989 90 N HN 0.153 8.552 8.380 0.033 0.000 0.426 91 N N 0.165 118.885 118.700 0.032 0.000 2.459 91 N HA -0.113 4.648 4.740 0.035 0.000 0.181 91 N C 1.202 176.731 175.510 0.032 0.000 1.046 91 N CA 2.241 55.313 53.050 0.037 0.000 0.904 91 N CB -0.103 38.413 38.487 0.048 0.000 0.964 91 N HN 0.168 8.557 8.380 0.035 0.012 0.444 92 L N -2.003 119.236 121.223 0.026 0.000 2.592 92 L HA 0.125 4.478 4.340 0.021 0.000 0.227 92 L C -1.133 175.748 176.870 0.019 0.000 1.127 92 L CA 0.035 54.888 54.840 0.020 0.000 0.884 92 L CB -0.233 41.834 42.059 0.013 0.000 1.065 92 L HN -0.126 7.957 8.230 0.026 0.162 0.457 93 R N -6.545 113.968 120.500 0.021 0.000 3.770 93 R HA -0.359 4.070 4.340 0.019 -0.078 0.305 93 R C -1.117 175.193 176.300 0.016 0.000 1.184 93 R CA 0.733 56.845 56.100 0.019 0.000 0.823 93 R CB -3.068 27.244 30.300 0.019 0.000 1.285 93 R HN -0.383 7.689 8.270 0.023 0.211 0.499 94 V N -7.913 112.010 119.914 0.016 0.000 2.919 94 V HA 0.393 4.643 4.120 0.012 -0.122 0.316 94 V C -1.107 174.997 176.094 0.015 0.000 1.077 94 V CA -3.018 59.290 62.300 0.013 0.000 0.977 94 V CB 2.435 34.264 31.823 0.010 0.000 1.039 94 V HN -0.323 7.850 8.190 0.017 0.027 0.441 95 R N -0.216 120.293 120.500 0.014 0.000 3.029 95 R HA 0.322 4.675 4.340 0.021 0.000 0.239 95 R C -0.862 175.446 176.300 0.012 0.000 1.351 95 R CA -3.645 52.465 56.100 0.017 0.000 1.052 95 R CB 2.098 32.409 30.300 0.019 0.000 1.354 95 R HN -0.360 8.079 8.270 0.012 -0.162 0.499 96 L N 0.174 121.405 121.223 0.013 0.000 2.534 96 L HA -0.424 3.914 4.340 -0.003 0.000 0.271 96 L C 1.835 178.706 176.870 0.001 0.000 1.178 96 L CA 1.550 56.392 54.840 0.003 0.000 0.907 96 L CB -1.052 41.007 42.059 0.000 0.000 1.164 96 L HN 0.073 8.315 8.230 0.021 0.000 0.482 97 G N 4.863 113.661 108.800 -0.004 0.000 2.159 97 G HA2 -0.424 3.532 3.960 -0.006 0.000 0.227 97 G HA3 -0.424 3.535 3.960 -0.002 0.000 0.227 97 G C -0.655 174.245 174.900 -0.001 0.000 0.986 97 G CA -0.305 44.793 45.100 -0.003 0.000 0.651 97 G HN 0.211 8.498 8.290 -0.006 0.000 0.523 98 D N 0.944 121.344 120.400 0.000 0.000 2.348 98 D HA 0.286 4.927 4.640 0.002 0.000 0.249 98 D C -1.415 174.884 176.300 -0.000 0.000 1.110 98 D CA -0.896 53.105 54.000 0.002 0.000 0.967 98 D CB 2.288 43.091 40.800 0.005 0.000 1.139 98 D HN -0.482 7.835 8.370 0.001 0.054 0.466 99 V N -3.142 116.772 119.914 0.000 0.000 2.459 99 V HA 0.752 5.059 4.120 -0.003 -0.188 0.295 99 V C -0.973 175.121 176.094 -0.001 0.000 1.029 99 V CA -2.039 60.260 62.300 -0.002 0.000 0.874 99 V CB 1.130 32.952 31.823 -0.002 0.000 0.985 99 V HN 0.026 8.217 8.190 0.002 0.000 0.438 100 I N -0.128 120.441 120.570 -0.003 0.000 3.067 100 I HA 0.714 4.950 4.170 -0.001 -0.067 0.312 100 I C -1.455 174.658 176.117 -0.006 0.000 1.073 100 I CA -2.413 58.885 61.300 -0.004 0.000 1.016 100 I CB 3.858 41.855 38.000 -0.005 0.000 1.227 100 I HN 0.801 9.008 8.210 -0.005 0.000 0.456 101 S N 0.326 116.022 115.700 -0.007 0.000 2.478 101 S HA 0.795 5.498 4.470 -0.010 -0.238 0.312 101 S C -1.396 173.195 174.600 -0.015 0.000 1.094 101 S CA -1.135 57.059 58.200 -0.009 0.000 1.081 101 S CB 1.619 64.817 63.200 -0.004 0.000 1.007 101 S HN 0.276 8.582 8.310 -0.006 0.000 0.475 102 I N 5.087 125.646 120.570 -0.018 0.000 2.404 102 I HA 0.661 5.013 4.170 -0.027 -0.198 0.293 102 I C -2.328 173.774 176.117 -0.024 0.000 0.992 102 I CA -2.013 59.273 61.300 -0.024 0.000 1.149 102 I CB 2.778 40.763 38.000 -0.025 0.000 1.315 102 I HN 0.723 8.812 8.210 -0.017 0.110 0.446 103 Q N 8.260 128.044 119.800 -0.026 0.000 2.263 103 Q HA 0.558 4.883 4.340 -0.024 0.000 0.262 103 Q C -2.633 173.356 176.000 -0.019 0.000 0.984 103 Q CA -3.603 52.188 55.803 -0.020 0.000 0.813 103 Q CB 4.067 32.800 28.738 -0.008 0.000 1.299 103 Q HN 0.559 8.811 8.270 -0.031 0.000 0.428 104 P HA 0.044 4.574 4.420 -0.005 -0.113 0.268 104 P C -0.660 176.653 177.300 0.022 0.000 1.204 104 P CA -0.148 62.948 63.100 -0.007 0.000 0.768 104 P CB 0.405 32.086 31.700 -0.031 0.000 0.842 105 C N 6.431 125.755 119.300 0.041 0.000 2.619 105 C HA 0.031 4.535 4.460 0.074 0.000 0.389 105 C C -0.889 174.152 174.990 0.085 0.000 1.314 105 C CA -1.251 57.810 59.018 0.073 0.000 1.678 105 C CB -0.426 27.370 27.740 0.093 0.000 2.398 105 C HN 0.100 8.352 8.230 0.036 0.000 0.582 106 P HA 0.003 4.471 4.420 0.079 0.000 0.220 106 P C -1.421 175.923 177.300 0.073 0.000 1.152 106 P CA 0.613 63.757 63.100 0.073 0.000 0.812 106 P CB 0.663 32.397 31.700 0.057 0.000 0.792 107 D N -0.815 119.634 120.400 0.082 0.000 2.620 107 D HA 0.212 4.890 4.640 0.063 0.000 0.252 107 D C -1.596 174.768 176.300 0.106 0.000 1.207 107 D CA -0.453 53.592 54.000 0.075 0.000 0.884 107 D CB 2.080 42.913 40.800 0.055 0.000 1.262 107 D HN -0.047 8.380 8.370 0.095 0.000 0.552 108 V N -1.112 118.867 119.914 0.108 0.000 3.074 108 V HA 0.249 4.473 4.120 0.173 0.000 0.314 108 V C -1.385 174.787 176.094 0.129 0.000 1.117 108 V CA -0.911 61.478 62.300 0.149 0.000 1.014 108 V CB 1.655 33.584 31.823 0.178 0.000 1.057 108 V HN 0.055 8.296 8.190 0.086 0.000 0.438 109 K N 0.844 121.342 120.400 0.162 0.000 2.512 109 K HA 0.235 4.642 4.320 0.146 0.000 0.263 109 K C -1.743 175.041 176.600 0.306 0.000 0.966 109 K CA -1.029 55.360 56.287 0.171 0.000 0.851 109 K CB 2.718 35.268 32.500 0.084 0.000 1.395 109 K HN -0.208 8.149 8.250 0.179 0.000 0.440 110 Y N 0.549 120.879 120.300 0.049 0.000 2.346 110 Y HA 0.091 4.814 4.550 0.088 -0.119 0.330 110 Y C 1.276 177.199 175.900 0.038 0.000 1.178 110 Y CA -1.299 56.839 58.100 0.063 0.000 1.331 110 Y CB 1.086 39.587 38.460 0.068 0.000 1.253 110 Y HN 0.263 8.726 8.280 0.303 0.000 0.529 111 G N 2.110 110.979 108.800 0.115 0.000 2.439 111 G HA2 -0.052 3.941 3.960 0.054 0.000 0.298 111 G HA3 -0.052 3.922 3.960 0.022 0.000 0.298 111 G C -0.461 174.455 174.900 0.027 0.000 1.044 111 G CA -0.094 45.037 45.100 0.051 0.000 1.168 111 G HN 0.568 8.879 8.290 0.036 0.000 0.433 112 K N 2.879 123.293 120.400 0.023 0.000 2.546 112 K HA -0.095 4.230 4.320 0.008 0.000 0.198 112 K C -0.767 175.785 176.600 -0.079 0.000 1.028 112 K CA -0.756 55.526 56.287 -0.008 0.000 1.150 112 K CB -0.330 32.170 32.500 0.001 0.000 0.876 112 K HN -0.338 7.931 8.250 0.033 0.000 0.508 113 R N -3.420 117.016 120.500 -0.108 0.000 2.808 113 R HA 0.065 4.239 4.340 -0.277 0.000 0.254 113 R C -2.825 173.351 176.300 -0.207 0.000 1.145 113 R CA -0.283 55.688 56.100 -0.214 0.000 1.066 113 R CB 2.164 32.336 30.300 -0.213 0.000 1.268 113 R HN -0.518 7.573 8.270 -0.070 0.137 0.447 114 I N 5.777 126.175 120.570 -0.286 0.000 2.439 114 I HA 0.243 4.356 4.170 -0.094 0.000 0.283 114 I C -2.288 173.714 176.117 -0.192 0.000 1.023 114 I CA -0.468 60.714 61.300 -0.195 0.000 1.100 114 I CB 2.285 40.140 38.000 -0.241 0.000 1.238 114 I HN 0.895 8.887 8.210 -0.363 0.000 0.445 115 H N 8.391 127.477 119.070 0.027 0.000 2.673 115 H HA 0.696 5.492 4.556 0.063 -0.201 0.293 115 H C -0.478 174.911 175.328 0.103 0.000 1.065 115 H CA -2.083 54.001 56.048 0.060 0.000 1.236 115 H CB 1.119 30.915 29.762 0.056 0.000 1.389 115 H HN 0.664 8.993 8.280 0.083 0.000 0.481 116 V N -0.784 119.275 119.914 0.243 0.000 2.769 116 V HA 0.794 5.188 4.120 0.266 -0.114 0.312 116 V C -2.136 174.083 176.094 0.208 0.000 1.061 116 V CA -2.559 59.895 62.300 0.257 0.000 0.931 116 V CB 3.060 35.099 31.823 0.361 0.000 1.010 116 V HN -0.226 8.092 8.190 0.212 0.000 0.433 117 L N 1.529 122.870 121.223 0.198 0.000 2.422 117 L HA 0.741 5.183 4.340 0.169 0.000 0.264 117 L C -2.364 174.630 176.870 0.206 0.000 0.984 117 L CA -3.158 51.782 54.840 0.167 0.000 0.819 117 L CB 4.163 46.281 42.059 0.098 0.000 1.330 117 L HN 0.428 8.780 8.230 0.203 0.000 0.410 118 P HA 0.312 4.843 4.420 0.185 0.000 0.277 118 P C -0.544 176.754 177.300 -0.004 0.000 1.240 118 P CA -1.090 62.108 63.100 0.164 0.000 0.798 118 P CB 0.791 32.617 31.700 0.210 0.000 0.979 119 I N 0.288 120.786 120.570 -0.120 0.000 2.581 119 I HA 0.180 4.496 4.170 -0.065 -0.185 0.288 119 I C 2.036 178.097 176.117 -0.093 0.000 1.047 119 I CA -0.455 60.780 61.300 -0.107 0.000 1.374 119 I CB 0.549 38.459 38.000 -0.149 0.000 1.423 119 I HN -0.326 7.741 8.210 -0.238 0.000 0.549 120 D N 5.499 125.862 120.400 -0.063 0.000 2.149 120 D HA -0.373 4.243 4.640 -0.041 0.000 0.198 120 D C 1.221 177.483 176.300 -0.065 0.000 0.990 120 D CA 3.745 57.715 54.000 -0.051 0.000 0.839 120 D CB -0.514 40.264 40.800 -0.037 0.000 0.948 120 D HN 0.771 9.015 8.370 -0.053 0.093 0.460 121 D N -2.476 117.877 120.400 -0.079 0.000 2.317 121 D HA -0.112 4.759 4.640 -0.067 -0.271 0.211 121 D C 1.057 177.291 176.300 -0.110 0.000 0.966 121 D CA 1.961 55.911 54.000 -0.083 0.000 0.876 121 D CB -0.452 40.301 40.800 -0.079 0.000 0.927 121 D HN 0.455 8.761 8.370 -0.082 0.015 0.519 122 T N -2.790 111.674 114.554 -0.150 0.000 3.107 122 T HA -0.029 4.208 4.350 -0.187 0.000 0.249 122 T C 0.316 174.910 174.700 -0.177 0.000 1.096 122 T CA 0.985 62.961 62.100 -0.206 0.000 1.012 122 T CB 0.311 68.977 68.868 -0.338 0.000 0.977 122 T HN -0.352 7.638 8.240 -0.148 0.162 0.527 123 V N -4.465 115.380 119.914 -0.114 0.000 3.276 123 V HA 0.345 4.418 4.120 -0.079 0.000 0.319 123 V C -0.943 175.124 176.094 -0.046 0.000 1.427 123 V CA -2.221 60.037 62.300 -0.071 0.000 1.102 123 V CB 0.317 32.118 31.823 -0.037 0.000 1.020 123 V HN -0.869 7.090 8.190 -0.102 0.169 0.456 124 E N 2.732 122.900 120.200 -0.053 0.000 2.265 124 E HA -0.162 4.171 4.350 -0.029 0.000 0.272 124 E C 0.566 177.148 176.600 -0.029 0.000 1.067 124 E CA 1.063 57.440 56.400 -0.037 0.000 0.900 124 E CB -0.779 28.896 29.700 -0.041 0.000 1.017 124 E HN -0.776 7.476 8.360 -0.071 0.065 0.431 125 G N 3.311 112.100 108.800 -0.017 0.000 2.213 125 G HA2 -0.273 3.683 3.960 -0.006 0.000 0.236 125 G HA3 -0.273 3.679 3.960 -0.012 0.000 0.236 125 G C -0.671 174.229 174.900 -0.000 0.000 0.991 125 G CA -0.408 44.687 45.100 -0.009 0.000 0.629 125 G HN 0.373 8.654 8.290 -0.014 0.000 0.517 126 I N -2.876 117.695 120.570 0.001 0.000 2.863 126 I HA 0.420 4.603 4.170 0.023 0.000 0.311 126 I C -1.660 174.471 176.117 0.024 0.000 1.026 126 I CA -0.652 60.658 61.300 0.017 0.000 1.077 126 I CB 1.560 39.573 38.000 0.022 0.000 1.262 126 I HN -0.603 7.529 8.210 -0.008 0.073 0.461 127 T N 1.430 116.007 114.554 0.038 0.000 2.886 127 T HA 0.217 4.591 4.350 0.040 0.000 0.330 127 T C -0.057 174.675 174.700 0.054 0.000 1.488 127 T CA -0.357 61.767 62.100 0.040 0.000 1.054 127 T CB 1.466 70.351 68.868 0.027 0.000 1.348 127 T HN -0.092 8.175 8.240 0.046 0.000 0.489 128 G N 5.853 114.687 108.800 0.056 0.000 2.348 128 G HA2 -0.142 3.847 3.960 0.049 0.000 0.199 128 G HA3 -0.142 3.858 3.960 0.067 0.000 0.199 128 G C -1.507 173.442 174.900 0.081 0.000 1.235 128 G CA -0.418 44.720 45.100 0.062 0.000 1.264 128 G HN 0.107 8.427 8.290 0.049 0.000 0.543 129 N N 2.357 121.118 118.700 0.101 0.000 2.443 129 N HA 0.193 5.011 4.740 0.131 0.000 0.269 129 N C -0.266 175.352 175.510 0.180 0.000 0.985 129 N CA -0.362 52.769 53.050 0.134 0.000 0.921 129 N CB 0.172 38.735 38.487 0.127 0.000 1.195 129 N HN 0.074 8.511 8.380 0.095 0.000 0.492 130 L N 3.658 125.016 121.223 0.226 0.000 2.664 130 L HA 0.028 4.578 4.340 0.351 0.000 0.233 130 L C 0.615 177.651 176.870 0.278 0.000 1.113 130 L CA 0.433 55.457 54.840 0.306 0.000 0.896 130 L CB 0.462 42.715 42.059 0.324 0.000 1.163 130 L HN 0.382 8.738 8.230 0.210 0.000 0.497 131 F N 2.641 122.646 119.950 0.091 0.000 2.075 131 F HA -0.416 4.134 4.527 0.038 0.000 0.297 131 F C 0.532 176.359 175.800 0.045 0.000 1.113 131 F CA 2.400 60.428 58.000 0.047 0.000 1.218 131 F CB -0.008 38.998 39.000 0.010 0.000 0.984 131 F HN -0.399 8.129 8.300 0.350 -0.017 0.472 132 E N -1.699 118.448 120.200 -0.089 0.000 2.482 132 E HA -0.117 3.946 4.350 -0.478 0.000 0.196 132 E C 0.752 177.257 176.600 -0.157 0.000 1.047 132 E CA 1.299 57.572 56.400 -0.212 0.000 0.869 132 E CB 0.042 29.736 29.700 -0.008 0.000 0.836 132 E HN 0.163 9.070 8.360 0.195 -0.430 0.520 133 V N -3.074 116.781 119.914 -0.098 0.000 3.212 133 V HA -0.094 3.890 4.120 -0.227 0.000 0.244 133 V C -0.036 175.820 176.094 -0.397 0.000 1.151 133 V CA 1.566 63.737 62.300 -0.215 0.000 1.119 133 V CB 0.871 32.604 31.823 -0.150 0.000 0.838 133 V HN -0.478 7.523 8.190 -0.006 0.185 0.470 134 Y N -5.941 114.355 120.300 -0.006 0.000 2.784 134 Y HA 0.095 4.675 4.550 0.050 0.000 0.267 134 Y C 0.903 176.756 175.900 -0.077 0.000 1.117 134 Y CA 0.891 58.989 58.100 -0.003 0.000 1.231 134 Y CB 2.174 40.688 38.460 0.090 0.000 1.441 134 Y HN -0.200 8.036 8.280 0.109 0.110 0.469 135 L N -0.779 120.460 121.223 0.027 0.000 2.912 135 L HA -0.089 4.484 4.340 0.388 0.000 0.246 135 L C -0.375 176.501 176.870 0.010 0.000 1.371 135 L CA 0.587 55.498 54.840 0.118 0.000 1.196 135 L CB -2.874 39.238 42.059 0.087 0.000 1.596 135 L HN -0.219 8.043 8.230 0.053 0.000 0.429 136 K N -0.187 120.262 120.400 0.082 0.000 3.164 136 K HA 0.293 4.604 4.320 -0.016 0.000 0.214 136 K C -1.600 175.031 176.600 0.051 0.000 1.957 136 K CA 1.917 58.171 56.287 -0.055 0.000 1.446 136 K CB 0.633 32.895 32.500 -0.395 0.000 2.272 136 K HN 0.346 8.568 8.250 0.137 0.110 0.592 137 P HA -0.151 4.241 4.420 -0.046 0.000 0.226 137 P C -0.362 176.938 177.300 -0.000 0.000 1.153 137 P CA 1.835 64.926 63.100 -0.015 0.000 0.777 137 P CB 0.022 31.702 31.700 -0.034 0.000 0.794 138 Y N -5.069 115.155 120.300 -0.126 0.000 2.511 138 Y HA -0.179 4.231 4.550 -0.233 0.000 0.279 138 Y C -0.950 174.597 175.900 -0.589 0.000 1.157 138 Y CA 1.411 59.314 58.100 -0.328 0.000 1.300 138 Y CB 0.693 38.931 38.460 -0.369 0.000 1.052 138 Y HN -0.864 7.474 8.280 0.174 0.047 0.529 139 F N -3.710 116.174 119.950 -0.110 0.000 2.557 139 F HA 0.073 4.463 4.527 -0.228 0.000 0.278 139 F C -0.034 175.622 175.800 -0.241 0.000 1.051 139 F CA 0.911 58.800 58.000 -0.186 0.000 1.357 139 F CB 1.968 40.886 39.000 -0.136 0.000 1.104 139 F HN -0.557 7.615 8.300 0.112 0.195 0.654 140 L N 0.740 121.954 121.223 -0.015 0.000 2.534 140 L HA -0.256 4.003 4.340 -0.135 0.000 0.271 140 L C -0.403 176.363 176.870 -0.174 0.000 1.178 140 L CA 0.797 55.572 54.840 -0.108 0.000 0.907 140 L CB 0.262 42.275 42.059 -0.077 0.000 1.164 140 L HN 0.066 8.219 8.230 0.051 0.108 0.482 141 E N -0.211 119.834 120.200 -0.257 0.000 3.547 141 E HA -0.461 3.707 4.350 -0.303 0.000 0.300 141 E C -1.019 175.456 176.600 -0.208 0.000 0.857 141 E CA 1.452 57.715 56.400 -0.229 0.000 1.039 141 E CB -1.317 28.324 29.700 -0.099 0.000 1.524 141 E HN 0.241 8.413 8.360 -0.314 0.000 0.457 142 A N -0.648 122.002 122.820 -0.284 0.000 1.855 142 A HA -0.204 3.980 4.320 -0.226 0.000 0.213 142 A C 0.118 177.632 177.584 -0.117 0.000 1.195 142 A CA 1.368 53.253 52.037 -0.254 0.000 0.610 142 A CB 0.996 19.769 19.000 -0.379 0.000 0.837 142 A HN -0.595 7.180 8.150 -0.316 0.185 0.444 143 Y N -3.339 116.866 120.300 -0.159 0.000 3.018 143 Y HA -0.381 4.226 4.550 -0.196 -0.174 0.181 143 Y C -0.930 174.885 175.900 -0.141 0.000 1.542 143 Y CA 0.491 58.499 58.100 -0.154 0.000 0.975 143 Y CB -2.915 35.481 38.460 -0.107 0.000 1.379 143 Y HN -0.280 7.769 8.280 -0.384 0.000 0.423 144 R N 0.193 120.673 120.500 -0.033 0.000 2.740 144 R HA 0.475 4.801 4.340 -0.023 0.000 0.282 144 R C -2.285 174.000 176.300 -0.025 0.000 0.969 144 R CA -3.557 52.511 56.100 -0.055 0.000 0.918 144 R CB 2.913 33.126 30.300 -0.146 0.000 1.175 144 R HN -0.410 7.806 8.270 -0.090 0.000 0.464 145 P HA 0.373 4.962 4.420 0.055 -0.136 0.285 145 P C -1.131 176.194 177.300 0.042 0.000 1.259 145 P CA -0.666 62.455 63.100 0.033 0.000 0.794 145 P CB 0.677 32.393 31.700 0.026 0.000 0.940 146 I N -4.474 116.149 120.570 0.088 0.000 2.865 146 I HA 0.447 4.679 4.170 0.103 0.000 0.302 146 I C -2.279 173.943 176.117 0.176 0.000 1.140 146 I CA -1.699 59.673 61.300 0.120 0.000 1.021 146 I CB 4.373 42.453 38.000 0.133 0.000 1.233 146 I HN 0.833 9.111 8.210 0.112 0.000 0.427 147 R N 1.689 122.295 120.500 0.177 0.000 2.778 147 R HA 0.427 5.024 4.340 0.281 -0.089 0.277 147 R C -1.137 175.275 176.300 0.187 0.000 0.977 147 R CA -2.496 53.731 56.100 0.212 0.000 0.950 147 R CB 4.418 34.822 30.300 0.174 0.000 1.165 147 R HN 0.168 8.730 8.270 0.160 -0.196 0.474 148 K N 2.640 123.146 120.400 0.176 0.000 2.436 148 K HA -0.403 4.010 4.320 0.156 0.000 0.282 148 K C 0.404 177.082 176.600 0.130 0.000 1.044 148 K CA 1.885 58.259 56.287 0.146 0.000 1.028 148 K CB 0.055 32.626 32.500 0.119 0.000 0.919 148 K HN 0.491 8.856 8.250 0.192 0.000 0.474 149 G N 7.627 116.506 108.800 0.130 0.000 2.176 149 G HA2 -0.400 3.650 3.960 0.096 0.000 0.232 149 G HA3 -0.400 3.614 3.960 0.090 0.000 0.232 149 G C -0.678 174.288 174.900 0.111 0.000 0.986 149 G CA -0.207 44.957 45.100 0.106 0.000 0.643 149 G HN 0.832 9.211 8.290 0.148 0.000 0.522 150 D N 1.403 121.892 120.400 0.149 0.000 2.313 150 D HA 0.163 4.875 4.640 0.121 0.000 0.247 150 D C -1.125 175.285 176.300 0.183 0.000 1.094 150 D CA 0.187 54.284 54.000 0.161 0.000 0.925 150 D CB 1.420 42.333 40.800 0.187 0.000 1.188 150 D HN -0.321 8.096 8.370 0.170 0.055 0.430 151 I N -0.627 120.028 120.570 0.141 0.000 2.406 151 I HA 0.596 4.941 4.170 0.007 -0.171 0.290 151 I C -0.540 175.654 176.117 0.128 0.000 0.999 151 I CA -1.172 60.163 61.300 0.059 0.000 1.124 151 I CB 2.418 40.406 38.000 -0.021 0.000 1.289 151 I HN -0.051 8.234 8.210 0.126 0.000 0.441 152 F N 4.424 124.417 119.950 0.072 0.000 2.546 152 F HA 0.473 5.033 4.527 0.056 0.000 0.320 152 F C -2.510 173.276 175.800 -0.023 0.000 1.076 152 F CA -2.287 55.743 58.000 0.051 0.000 0.928 152 F CB 2.198 41.257 39.000 0.098 0.000 1.189 152 F HN 0.793 8.796 8.300 -0.495 0.000 0.465 153 L N 2.041 123.333 121.223 0.115 0.000 2.296 153 L HA 0.605 5.008 4.340 -0.164 -0.161 0.286 153 L C -1.290 175.568 176.870 -0.021 0.000 1.023 153 L CA -1.289 53.534 54.840 -0.028 0.000 0.812 153 L CB 2.512 44.565 42.059 -0.010 0.000 1.223 153 L HN 0.427 8.791 8.230 0.223 0.000 0.421 154 V N 7.512 127.364 119.914 -0.105 0.000 2.320 154 V HA 0.162 4.167 4.120 -0.192 0.000 0.265 154 V C -0.363 175.783 176.094 0.087 0.000 1.048 154 V CA 0.002 62.249 62.300 -0.087 0.000 0.865 154 V CB -0.402 31.436 31.823 0.026 0.000 1.043 154 V HN 0.971 9.079 8.190 -0.136 0.000 0.474 155 R N 8.234 128.822 120.500 0.146 0.000 2.156 155 R HA -0.007 4.385 4.340 0.087 0.000 0.207 155 R C 0.975 177.364 176.300 0.148 0.000 1.040 155 R CA 1.907 58.081 56.100 0.123 0.000 1.013 155 R CB 0.409 30.771 30.300 0.104 0.000 0.931 155 R HN 0.009 8.404 8.270 0.208 0.000 0.465 156 G N -1.908 107.009 108.800 0.195 0.000 3.213 156 G HA2 0.062 4.092 3.960 0.116 0.000 0.263 156 G HA3 0.062 4.116 3.960 0.157 0.000 0.263 156 G C -0.607 174.392 174.900 0.166 0.000 0.829 156 G CA -0.305 44.891 45.100 0.160 0.000 1.983 156 G HN 0.112 8.557 8.290 0.260 0.000 0.616 157 G N 0.947 109.852 108.800 0.174 0.000 5.312 157 G HA2 0.236 4.227 3.960 0.051 0.000 0.204 157 G HA3 0.236 4.361 3.960 0.274 0.000 0.204 157 G C -0.778 174.253 174.900 0.219 0.000 1.097 157 G CA 0.068 45.271 45.100 0.173 0.000 0.621 157 G HN -0.206 8.119 8.290 0.164 0.062 0.290 158 M N -3.031 116.648 119.600 0.132 0.000 2.813 158 M HA -0.557 3.970 4.480 0.077 0.000 0.143 158 M C -0.715 175.653 176.300 0.112 0.000 0.703 158 M CA 3.139 58.506 55.300 0.112 0.000 0.548 158 M CB -0.546 32.124 32.600 0.117 0.000 2.012 158 M HN 0.241 8.591 8.290 0.100 0.000 0.256 159 R N -0.904 119.688 120.500 0.154 0.000 2.664 159 R HA 0.294 4.661 4.340 0.045 0.000 0.286 159 R C -1.605 174.720 176.300 0.041 0.000 0.967 159 R CA -1.369 54.773 56.100 0.071 0.000 0.933 159 R CB 1.559 31.878 30.300 0.031 0.000 1.146 159 R HN -0.208 8.151 8.270 0.259 0.066 0.468 160 A N 2.676 125.486 122.820 -0.018 0.000 2.437 160 A HA 0.434 4.980 4.320 -0.011 -0.233 0.303 160 A C -0.576 176.903 177.584 -0.175 0.000 1.324 160 A CA -0.832 51.173 52.037 -0.055 0.000 0.983 160 A CB -0.089 18.888 19.000 -0.039 0.000 1.142 160 A HN 0.227 8.365 8.150 -0.020 0.000 0.541 161 V N 4.096 123.843 119.914 -0.277 0.000 2.532 161 V HA 0.123 3.951 4.120 -0.486 0.000 0.295 161 V C -0.755 174.911 176.094 -0.714 0.000 1.041 161 V CA -1.167 60.791 62.300 -0.570 0.000 0.926 161 V CB 1.806 33.109 31.823 -0.867 0.000 0.992 161 V HN -0.313 7.769 8.190 -0.179 0.000 0.457 162 E N 4.217 123.958 120.200 -0.766 0.000 2.174 162 E HA 0.434 4.612 4.350 -0.533 -0.147 0.282 162 E C -0.998 175.030 176.600 -0.952 0.000 0.992 162 E CA -0.701 55.301 56.400 -0.663 0.000 0.803 162 E CB 1.441 30.907 29.700 -0.390 0.000 1.090 162 E HN 0.441 8.394 8.360 -0.679 0.000 0.396 163 F N 3.337 122.903 119.950 -0.640 0.000 2.540 163 F HA 0.335 4.629 4.527 -0.387 0.000 0.317 163 F C -1.500 173.890 175.800 -0.684 0.000 1.104 163 F CA -1.305 56.274 58.000 -0.701 0.000 0.913 163 F CB 3.686 42.135 39.000 -0.919 0.000 1.170 163 F HN 0.734 8.579 8.300 -0.757 0.000 0.450 164 K N 2.446 122.787 120.400 -0.098 0.000 2.206 164 K HA 0.537 4.983 4.320 -0.024 -0.139 0.264 164 K C -1.077 175.617 176.600 0.155 0.000 0.967 164 K CA -1.641 54.647 56.287 0.003 0.000 0.844 164 K CB 3.305 35.810 32.500 0.008 0.000 1.099 164 K HN 0.172 8.431 8.250 0.014 0.000 0.441 165 V N 7.599 127.660 119.914 0.245 0.000 2.387 165 V HA -0.111 4.219 4.120 0.351 0.000 0.260 165 V C 0.140 176.353 176.094 0.199 0.000 1.054 165 V CA 0.707 63.187 62.300 0.299 0.000 0.967 165 V CB -0.890 31.139 31.823 0.342 0.000 1.036 165 V HN 0.910 9.132 8.190 0.232 0.107 0.481 166 V N 9.694 129.718 119.914 0.184 0.000 2.270 166 V HA -0.375 3.809 4.120 0.107 0.000 0.245 166 V C -0.602 175.574 176.094 0.137 0.000 1.043 166 V CA 3.789 66.170 62.300 0.135 0.000 1.014 166 V CB 0.419 32.308 31.823 0.110 0.000 0.645 166 V HN 0.288 8.606 8.190 0.213 0.000 0.447 167 E N -7.751 112.555 120.200 0.176 0.000 2.417 167 E HA 0.251 4.683 4.350 0.136 0.000 0.280 167 E C -2.415 174.280 176.600 0.157 0.000 1.112 167 E CA -0.302 56.192 56.400 0.157 0.000 0.863 167 E CB 2.165 31.949 29.700 0.140 0.000 1.346 167 E HN -0.452 8.037 8.360 0.216 0.000 0.443 168 T N -5.182 109.437 114.554 0.107 0.000 2.742 168 T HA 0.592 5.090 4.350 0.023 -0.134 0.282 168 T C -1.023 173.693 174.700 0.028 0.000 1.025 168 T CA -2.483 59.650 62.100 0.055 0.000 1.020 168 T CB 3.348 72.255 68.868 0.064 0.000 1.317 168 T HN -0.107 8.192 8.240 0.098 0.000 0.538 169 D N 0.736 121.132 120.400 -0.007 0.000 2.078 169 D HA -0.024 4.610 4.640 -0.011 0.000 0.193 169 D C -1.234 175.065 176.300 -0.002 0.000 0.990 169 D CA 2.918 56.912 54.000 -0.011 0.000 0.827 169 D CB -0.608 40.179 40.800 -0.023 0.000 0.975 169 D HN -0.133 8.227 8.370 -0.018 0.000 0.451 170 P HA 0.231 4.629 4.420 -0.036 0.000 0.296 170 P C -1.444 175.820 177.300 -0.060 0.000 1.306 170 P CA -0.647 62.432 63.100 -0.035 0.000 0.818 170 P CB 0.861 32.539 31.700 -0.037 0.000 0.969 171 S N 4.213 119.867 115.700 -0.076 0.000 2.578 171 S HA 0.300 4.743 4.470 -0.044 0.000 0.283 171 S C -0.367 174.117 174.600 -0.194 0.000 1.195 171 S CA -2.386 55.767 58.200 -0.079 0.000 1.050 171 S CB 0.536 63.719 63.200 -0.028 0.000 1.012 171 S HN 0.185 8.455 8.310 -0.066 0.000 0.511 172 P HA 0.322 4.750 4.420 0.013 0.000 0.268 172 P C -2.564 174.795 177.300 0.098 0.000 1.329 172 P CA 0.017 63.112 63.100 -0.008 0.000 0.899 172 P CB 0.770 32.526 31.700 0.092 0.000 1.378 173 Y N -6.584 113.751 120.300 0.058 0.000 2.670 173 Y HA 0.623 5.286 4.550 0.070 -0.071 0.334 173 Y C -1.720 174.218 175.900 0.063 0.000 1.185 173 Y CA -2.377 55.761 58.100 0.063 0.000 1.053 173 Y CB 3.079 41.575 38.460 0.060 0.000 1.298 173 Y HN -0.739 7.156 8.280 -0.523 0.071 0.459 174 C N -3.473 116.011 119.300 0.306 0.000 3.211 174 C HA 0.278 4.891 4.460 0.255 0.000 0.350 174 C C -2.422 172.670 174.990 0.171 0.000 1.413 174 C CA -1.710 57.435 59.018 0.212 0.000 1.203 174 C CB 2.842 30.649 27.740 0.112 0.000 1.506 174 C HN 0.791 9.215 8.230 0.323 0.000 0.448 175 I N -0.925 119.716 120.570 0.118 0.000 2.392 175 I HA 0.134 4.442 4.170 0.051 -0.107 0.295 175 I C -0.437 175.637 176.117 -0.072 0.000 0.985 175 I CA -1.181 60.137 61.300 0.029 0.000 1.221 175 I CB 1.796 39.806 38.000 0.017 0.000 1.366 175 I HN -0.155 8.141 8.210 0.143 0.000 0.467 176 V N 7.142 127.023 119.914 -0.055 0.000 2.452 176 V HA -0.177 3.942 4.120 -0.002 0.000 0.286 176 V C -1.373 174.582 176.094 -0.231 0.000 0.995 176 V CA 1.100 63.364 62.300 -0.060 0.000 1.116 176 V CB -0.922 30.902 31.823 0.002 0.000 0.954 176 V HN 0.597 8.662 8.190 -0.023 0.111 0.473 177 A N 9.006 131.691 122.820 -0.225 0.000 2.260 177 A HA 0.400 4.430 4.320 -0.482 0.000 0.312 177 A C -0.961 176.508 177.584 -0.191 0.000 1.321 177 A CA -2.788 49.081 52.037 -0.280 0.000 0.928 177 A CB 0.328 19.277 19.000 -0.084 0.000 1.158 177 A HN 0.333 8.409 8.150 -0.124 0.000 0.542 178 P HA -0.063 4.268 4.420 -0.148 0.000 0.230 178 P C -0.872 176.367 177.300 -0.102 0.000 1.158 178 P CA 0.998 63.968 63.100 -0.217 0.000 0.769 178 P CB 0.390 31.871 31.700 -0.365 0.000 0.807 179 D N -2.980 117.392 120.400 -0.047 0.000 2.348 179 D HA 0.020 4.661 4.640 0.001 0.000 0.211 179 D C -0.139 176.165 176.300 0.007 0.000 0.998 179 D CA 0.752 54.759 54.000 0.012 0.000 0.873 179 D CB -0.034 40.813 40.800 0.077 0.000 0.925 179 D HN -0.082 8.194 8.370 -0.046 0.066 0.524 180 T N 1.535 116.080 114.554 -0.015 0.000 2.882 180 T HA 0.054 4.390 4.350 -0.022 0.000 0.287 180 T C -0.603 174.070 174.700 -0.046 0.000 0.992 180 T CA 0.262 62.342 62.100 -0.034 0.000 1.076 180 T CB 0.963 69.800 68.868 -0.051 0.000 0.961 180 T HN -0.538 7.509 8.240 -0.033 0.173 0.490 181 V N 5.015 124.905 119.914 -0.041 0.000 2.405 181 V HA -0.083 4.081 4.120 0.074 0.000 0.264 181 V C -0.277 175.819 176.094 0.004 0.000 1.048 181 V CA -0.332 61.982 62.300 0.024 0.000 0.966 181 V CB -0.714 31.141 31.823 0.053 0.000 1.015 181 V HN 0.283 8.437 8.190 -0.059 0.000 0.477 182 I N 8.539 129.148 120.570 0.065 0.000 2.692 182 I HA -0.239 3.837 4.170 -0.157 0.000 0.284 182 I C -0.578 175.686 176.117 0.245 0.000 1.159 182 I CA 0.576 61.881 61.300 0.008 0.000 1.423 182 I CB 0.391 38.276 38.000 -0.191 0.000 1.380 182 I HN 0.149 8.416 8.210 0.096 0.000 0.580 183 H N 6.883 125.898 119.070 -0.093 0.000 2.589 183 H HA 0.251 4.679 4.556 -0.213 0.000 0.335 183 H C -1.883 173.472 175.328 0.045 0.000 1.019 183 H CA -1.291 54.710 56.048 -0.078 0.000 1.213 183 H CB 2.787 32.524 29.762 -0.043 0.000 1.472 183 H HN 0.542 8.837 8.280 0.026 0.000 0.508 184 C N 5.642 124.946 119.300 0.007 0.000 2.356 184 C HA 0.348 5.047 4.460 0.134 -0.158 0.324 184 C C -0.638 174.342 174.990 -0.017 0.000 1.167 184 C CA -1.906 57.153 59.018 0.068 0.000 1.420 184 C CB 0.882 28.713 27.740 0.152 0.000 2.036 184 C HN 0.447 8.531 8.230 -0.244 0.000 0.435 185 E N 6.010 126.216 120.200 0.010 0.000 2.404 185 E HA -0.067 4.241 4.350 -0.069 0.000 0.261 185 E C 1.091 177.689 176.600 -0.005 0.000 1.074 185 E CA 0.036 56.420 56.400 -0.026 0.000 0.917 185 E CB 0.771 30.456 29.700 -0.025 0.000 0.965 185 E HN 0.151 8.543 8.360 0.055 0.000 0.433 186 G N 1.497 110.287 108.800 -0.018 0.000 3.581 186 G HA2 -0.089 3.883 3.960 0.021 0.000 0.255 186 G HA3 -0.089 3.867 3.960 -0.007 0.000 0.255 186 G C -1.158 173.745 174.900 0.006 0.000 1.121 186 G CA 0.309 45.410 45.100 0.002 0.000 1.739 186 G HN 0.345 8.613 8.290 -0.037 0.000 0.646 187 E N 0.997 121.204 120.200 0.012 0.000 2.432 187 E HA 0.224 4.577 4.350 0.006 0.000 0.272 187 E C -2.644 173.966 176.600 0.016 0.000 0.937 187 E CA -3.237 53.168 56.400 0.008 0.000 0.812 187 E CB 2.160 31.858 29.700 -0.004 0.000 1.377 187 E HN -0.628 7.653 8.360 0.020 0.091 0.399 188 P HA 0.077 4.671 4.420 0.029 -0.157 0.269 188 P C -0.818 176.483 177.300 0.003 0.000 1.209 188 P CA -0.439 62.669 63.100 0.013 0.000 0.776 188 P CB 0.737 32.437 31.700 -0.000 0.000 0.876 189 I N -2.652 117.918 120.570 0.001 0.000 2.607 189 I HA 0.471 4.638 4.170 -0.004 0.000 0.305 189 I C -0.935 175.171 176.117 -0.018 0.000 0.995 189 I CA -1.986 59.311 61.300 -0.005 0.000 1.148 189 I CB 2.700 40.702 38.000 0.005 0.000 1.323 189 I HN 0.754 8.966 8.210 0.004 0.000 0.461 190 K N 1.636 122.026 120.400 -0.017 0.000 2.154 190 K HA 0.303 4.825 4.320 -0.030 -0.219 0.264 190 K C -0.209 176.376 176.600 -0.025 0.000 1.008 190 K CA -0.903 55.370 56.287 -0.023 0.000 0.937 190 K CB 1.137 33.626 32.500 -0.018 0.000 1.002 190 K HN 0.068 8.311 8.250 -0.011 0.000 0.469 191 R N 2.197 122.678 120.500 -0.032 0.000 2.410 191 R HA -0.040 4.280 4.340 -0.032 0.000 0.288 191 R C -0.065 176.221 176.300 -0.022 0.000 1.051 191 R CA -0.074 56.007 56.100 -0.033 0.000 1.021 191 R CB 1.137 31.410 30.300 -0.045 0.000 1.032 191 R HN 0.203 8.452 8.270 -0.035 0.000 0.481 192 E N 4.027 124.218 120.200 -0.016 0.000 2.342 192 E HA 0.063 4.408 4.350 -0.009 0.000 0.257 192 E C 0.090 176.683 176.600 -0.011 0.000 1.150 192 E CA -0.810 55.584 56.400 -0.010 0.000 0.926 192 E CB 0.663 30.361 29.700 -0.002 0.000 1.074 192 E HN 0.005 8.531 8.360 -0.017 -0.176 0.449 193 D N -0.493 119.902 120.400 -0.008 0.000 2.149 193 D HA -0.202 4.431 4.640 -0.012 0.000 0.201 193 D C 0.250 176.547 176.300 -0.006 0.000 0.972 193 D CA 2.514 56.509 54.000 -0.008 0.000 0.835 193 D CB 0.314 41.110 40.800 -0.006 0.000 0.966 193 D HN 0.418 8.785 8.370 -0.005 0.000 0.476 194 E N -3.491 116.708 120.200 -0.002 0.000 2.482 194 E HA -0.127 4.224 4.350 0.001 0.000 0.196 194 E C -0.661 175.940 176.600 0.001 0.000 1.047 194 E CA 0.379 56.780 56.400 0.001 0.000 0.869 194 E CB -0.749 28.955 29.700 0.006 0.000 0.836 194 E HN 0.441 8.801 8.360 -0.001 0.000 0.520 195 E N 0.773 120.970 120.200 -0.004 0.000 2.055 195 E HA 0.091 4.440 4.350 -0.002 0.000 0.274 195 E C -0.692 175.897 176.600 -0.018 0.000 0.949 195 E CA -0.972 55.423 56.400 -0.008 0.000 0.775 195 E CB 0.354 30.048 29.700 -0.010 0.000 1.097 195 E HN -0.804 7.363 8.360 -0.006 0.190 0.404 196 E N 5.012 125.202 120.200 -0.017 0.000 2.369 196 E HA -0.047 4.288 4.350 -0.026 0.000 0.255 196 E C -0.234 176.344 176.600 -0.038 0.000 1.172 196 E CA -0.595 55.791 56.400 -0.024 0.000 0.932 196 E CB 0.752 30.442 29.700 -0.018 0.000 1.040 196 E HN 0.185 8.539 8.360 -0.009 0.000 0.454 197 S N -1.180 114.493 115.700 -0.046 0.000 2.508 197 S HA 0.215 4.789 4.470 -0.074 -0.148 0.284 197 S C 0.882 175.447 174.600 -0.057 0.000 1.192 197 S CA -1.371 56.791 58.200 -0.062 0.000 1.070 197 S CB 0.790 63.949 63.200 -0.068 0.000 1.004 197 S HN 0.221 8.506 8.310 -0.041 0.000 0.493 198 L N 6.733 127.915 121.223 -0.069 0.000 2.622 198 L HA -0.070 4.248 4.340 -0.036 0.000 0.233 198 L C -0.245 176.592 176.870 -0.056 0.000 1.156 198 L CA 0.902 55.709 54.840 -0.055 0.000 0.866 198 L CB -0.593 41.428 42.059 -0.062 0.000 0.980 198 L HN 0.759 9.440 8.230 -0.091 -0.505 0.448 199 N N -3.309 115.352 118.700 -0.066 0.000 2.412 199 N HA -0.042 4.664 4.740 -0.057 0.000 0.184 199 N C 0.117 175.597 175.510 -0.050 0.000 1.101 199 N CA 0.255 53.269 53.050 -0.060 0.000 0.881 199 N CB 0.837 39.282 38.487 -0.071 0.000 0.969 199 N HN -0.719 7.520 8.380 -0.073 0.097 0.459 200 E N -0.364 119.807 120.200 -0.048 0.000 2.404 200 E HA -0.118 4.203 4.350 -0.049 0.000 0.261 200 E C -0.125 176.445 176.600 -0.050 0.000 1.074 200 E CA 0.126 56.498 56.400 -0.048 0.000 0.917 200 E CB 0.914 30.586 29.700 -0.046 0.000 0.965 200 E HN -0.535 7.616 8.360 -0.049 0.180 0.433 201 V N 2.388 122.266 119.914 -0.061 0.000 2.387 201 V HA -0.157 4.130 4.120 -0.056 -0.200 0.260 201 V C 0.287 176.315 176.094 -0.111 0.000 1.054 201 V CA 0.645 62.901 62.300 -0.072 0.000 0.967 201 V CB -0.457 31.322 31.823 -0.073 0.000 1.036 201 V HN 0.309 8.462 8.190 -0.061 0.000 0.481 202 G N 6.732 115.475 108.800 -0.094 0.000 2.736 202 G HA2 0.235 4.056 3.960 -0.233 0.000 0.229 202 G HA3 0.235 4.169 3.960 -0.044 0.000 0.229 202 G C 0.203 175.002 174.900 -0.167 0.000 1.380 202 G CA -1.263 43.755 45.100 -0.137 0.000 1.040 202 G HN 0.325 9.050 8.290 -0.055 -0.469 0.568 203 Y N -0.973 119.327 120.300 0.000 0.000 2.457 203 Y HA -0.242 4.308 4.550 0.000 0.000 0.292 203 Y C 1.808 177.710 175.900 0.002 0.000 1.125 203 Y CA 2.356 60.457 58.100 0.001 0.000 1.254 203 Y CB 0.120 38.581 38.460 0.002 0.000 1.012 203 Y HN 0.239 8.606 8.280 0.146 0.000 0.555 204 D N -2.850 117.633 120.400 0.138 0.000 2.363 204 D HA -0.186 4.506 4.640 0.088 0.000 0.220 204 D C -0.093 176.234 176.300 0.046 0.000 0.994 204 D CA 1.512 55.562 54.000 0.083 0.000 0.890 204 D CB -1.308 39.534 40.800 0.069 0.000 0.906 204 D HN 0.431 8.851 8.370 0.136 0.032 0.530 205 D N -0.765 119.650 120.400 0.025 0.000 2.339 205 D HA 0.083 4.728 4.640 0.008 0.000 0.217 205 D C -0.859 175.444 176.300 0.004 0.000 1.050 205 D CA 0.927 54.929 54.000 0.003 0.000 0.856 205 D CB 0.882 41.670 40.800 -0.021 0.000 0.922 205 D HN -0.534 7.664 8.370 0.021 0.185 0.518 206 V N 0.890 120.817 119.914 0.021 0.000 2.370 206 V HA 0.063 4.189 4.120 0.010 0.000 0.283 206 V C -0.569 175.545 176.094 0.033 0.000 1.023 206 V CA -0.492 61.822 62.300 0.024 0.000 0.857 206 V CB 0.834 32.679 31.823 0.037 0.000 0.985 206 V HN -0.843 7.190 8.190 0.040 0.181 0.443 207 G N 4.398 113.211 108.800 0.022 0.000 2.416 207 G HA2 0.358 4.334 3.960 0.026 0.000 0.329 207 G HA3 0.358 4.329 3.960 0.018 0.000 0.329 207 G C 0.047 174.959 174.900 0.020 0.000 1.173 207 G CA -0.819 44.294 45.100 0.022 0.000 0.929 207 G HN 0.088 8.387 8.290 0.016 0.000 0.475 208 G N 3.179 111.991 108.800 0.020 0.000 3.444 208 G HA2 -0.362 3.606 3.960 0.015 0.000 0.222 208 G HA3 -0.362 3.606 3.960 0.014 0.000 0.222 208 G C 0.316 175.227 174.900 0.019 0.000 1.358 208 G CA 0.663 45.773 45.100 0.017 0.000 0.880 208 G HN 0.423 8.726 8.290 0.021 0.000 0.555 209 C N 4.753 124.067 119.300 0.023 0.000 2.663 209 C HA -0.086 4.387 4.460 0.022 0.000 0.379 209 C C 0.125 175.136 174.990 0.036 0.000 1.255 209 C CA 0.717 59.751 59.018 0.027 0.000 1.503 209 C CB -1.957 25.799 27.740 0.027 0.000 2.187 209 C HN -0.243 7.911 8.230 0.022 0.089 0.580 210 R N 5.174 125.691 120.500 0.028 0.000 2.098 210 R HA -0.034 4.328 4.340 0.037 0.000 0.203 210 R C 1.482 177.796 176.300 0.023 0.000 1.166 210 R CA 1.404 57.520 56.100 0.027 0.000 1.090 210 R CB 0.680 30.990 30.300 0.017 0.000 0.992 210 R HN -0.041 8.242 8.270 0.022 0.000 0.477 211 K N -0.646 119.764 120.400 0.017 0.000 2.525 211 K HA -0.087 4.239 4.320 0.010 0.000 0.192 211 K C 0.444 177.055 176.600 0.018 0.000 1.029 211 K CA 1.595 57.890 56.287 0.013 0.000 1.029 211 K CB -1.149 31.356 32.500 0.009 0.000 0.814 211 K HN 0.200 8.460 8.250 0.015 0.000 0.503 212 Q N -3.286 116.528 119.800 0.024 0.000 2.360 212 Q HA -0.008 4.345 4.340 0.021 0.000 0.202 212 Q C -0.363 175.661 176.000 0.039 0.000 0.915 212 Q CA -0.179 55.639 55.803 0.026 0.000 0.943 212 Q CB -0.561 28.191 28.738 0.024 0.000 1.064 212 Q HN 0.025 8.308 8.270 0.026 0.003 0.511 213 L N 0.000 121.253 121.223 0.049 0.000 2.949 213 L HA 0.000 4.392 4.340 0.087 0.000 0.249 213 L CA 0.000 54.887 54.840 0.079 0.000 0.813 213 L CB 0.000 42.133 42.059 0.123 0.000 0.961 213 L HN 0.000 8.166 8.230 0.040 0.088 0.502