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 1cee_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQTIKCVVVG DGAVGKTCLL ISYTTNKFPS EYVPTVFDNY AVTVMIGGEP DATA SEQUENCE YTLGLFDTAG QEDYDRLRPL SYPQTDVFLV CFSVVSPSSF ENVKEKWVPE DATA SEQUENCE ITHHCPKTPF LLVGTQIDLR DDPSTIEKLA KNKQKPITPE TAEKLARDLK DATA SEQUENCE AVKYVECSAL TQKGLKNVFD EAILAALEP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.358 4.480 -0.203 0.000 0.227 1 M C 0.000 176.170 176.300 -0.216 0.000 1.140 1 M CA 0.000 55.201 55.300 -0.165 0.000 0.988 1 M CB 0.000 32.544 32.600 -0.092 0.000 1.302 2 Q N 3.459 123.009 119.800 -0.417 0.000 2.230 2 Q HA 0.268 4.480 4.340 -0.213 0.000 0.248 2 Q C -1.213 174.643 176.000 -0.241 0.000 0.915 2 Q CA -0.570 55.001 55.803 -0.388 0.000 0.900 2 Q CB 1.837 30.169 28.738 -0.677 0.000 1.229 2 Q HN 0.018 7.920 8.270 -0.613 0.000 0.439 3 T N 2.613 117.121 114.554 -0.077 0.000 2.952 3 T HA 0.579 5.205 4.350 0.022 -0.263 0.305 3 T C -1.018 173.723 174.700 0.068 0.000 1.064 3 T CA -0.889 61.218 62.100 0.011 0.000 1.008 3 T CB 2.809 71.689 68.868 0.019 0.000 1.078 3 T HN 0.120 8.326 8.240 -0.057 0.000 0.459 4 I N 4.572 125.205 120.570 0.106 0.000 2.577 4 I HA 0.122 4.349 4.170 0.096 0.000 0.300 4 I C -1.133 175.066 176.117 0.136 0.000 0.990 4 I CA -1.324 60.045 61.300 0.114 0.000 1.283 4 I CB 2.047 40.124 38.000 0.129 0.000 1.411 4 I HN 0.230 8.506 8.210 0.112 0.000 0.515 5 K N 3.306 123.775 120.400 0.115 0.000 2.526 5 K HA 0.213 4.733 4.320 0.333 0.000 0.214 5 K C -0.817 175.843 176.600 0.101 0.000 1.088 5 K CA -0.786 55.599 56.287 0.163 0.000 1.058 5 K CB -1.212 31.322 32.500 0.057 0.000 1.653 5 K HN 0.123 8.414 8.250 0.069 0.000 0.521 6 C N 3.871 123.273 119.300 0.169 0.000 2.322 6 C HA -0.085 4.382 4.460 0.012 0.000 0.343 6 C C -1.930 173.171 174.990 0.185 0.000 1.190 6 C CA 0.642 59.730 59.018 0.117 0.000 1.704 6 C CB 0.427 28.262 27.740 0.158 0.000 2.293 6 C HN 0.574 8.926 8.230 0.202 0.000 0.523 7 V N 7.234 127.185 119.914 0.063 0.000 2.459 7 V HA 0.528 4.994 4.120 0.267 -0.186 0.295 7 V C -0.771 175.420 176.094 0.162 0.000 1.029 7 V CA -2.021 60.365 62.300 0.144 0.000 0.874 7 V CB 1.830 33.694 31.823 0.068 0.000 0.985 7 V HN -0.235 7.890 8.190 -0.109 0.000 0.438 8 V N 7.862 127.895 119.914 0.198 0.000 2.408 8 V HA 0.007 4.357 4.120 0.189 -0.117 0.267 8 V C -0.733 175.511 176.094 0.249 0.000 1.047 8 V CA 0.712 63.133 62.300 0.202 0.000 0.937 8 V CB -0.507 31.421 31.823 0.175 0.000 0.999 8 V HN 0.594 8.902 8.190 0.197 0.000 0.472 9 V N 1.057 121.151 119.914 0.301 0.000 2.667 9 V HA 0.476 4.750 4.120 0.256 0.000 0.308 9 V C -1.018 175.223 176.094 0.246 0.000 1.048 9 V CA -2.709 59.763 62.300 0.288 0.000 0.928 9 V CB 1.880 33.911 31.823 0.347 0.000 1.004 9 V HN 0.373 8.635 8.190 0.310 0.113 0.444 10 G N 0.597 109.393 108.800 -0.006 0.000 2.343 10 G HA2 -0.181 3.093 3.960 -1.142 0.000 0.298 10 G HA3 -0.181 3.851 3.960 0.121 0.000 0.298 10 G C -3.383 171.138 174.900 -0.630 0.000 1.644 10 G CA 0.028 44.846 45.100 -0.469 0.000 0.958 10 G HN -0.018 8.252 8.290 -0.032 0.000 0.702 11 D N 1.375 121.058 120.400 -1.195 0.000 2.446 11 D HA 0.211 4.817 4.640 -0.291 -0.140 0.251 11 D C -0.886 175.298 176.300 -0.193 0.000 1.137 11 D CA -0.805 52.882 54.000 -0.522 0.000 0.890 11 D CB 1.395 41.907 40.800 -0.480 0.000 1.071 11 D HN 0.143 6.940 8.370 -2.622 0.000 0.528 12 G N 1.242 110.051 108.800 0.016 0.000 2.352 12 G HA2 -0.136 3.891 3.960 0.112 0.000 0.283 12 G HA3 -0.136 3.993 3.960 0.282 0.000 0.283 12 G C -2.967 172.033 174.900 0.166 0.000 1.308 12 G CA 0.163 45.358 45.100 0.158 0.000 0.892 12 G HN -0.567 7.716 8.290 -0.013 0.000 0.504 13 A N 1.070 123.992 122.820 0.170 0.000 2.801 13 A HA 0.348 4.749 4.320 0.134 0.000 0.344 13 A C -0.599 177.068 177.584 0.138 0.000 1.322 13 A CA -1.083 51.037 52.037 0.139 0.000 0.913 13 A CB -0.978 18.087 19.000 0.107 0.000 1.140 13 A HN 0.143 8.398 8.150 0.176 0.000 0.487 14 V N 0.447 120.458 119.914 0.161 0.000 2.940 14 V HA 0.536 4.702 4.120 0.076 0.000 0.366 14 V C 0.322 176.477 176.094 0.102 0.000 1.353 14 V CA -1.734 60.638 62.300 0.121 0.000 1.232 14 V CB 0.616 32.531 31.823 0.154 0.000 1.278 14 V HN -0.169 8.134 8.190 0.187 0.000 0.546 15 G N 0.459 109.322 108.800 0.104 0.000 2.422 15 G HA2 -0.294 3.730 3.960 0.108 0.000 0.301 15 G HA3 -0.294 3.723 3.960 0.096 0.000 0.301 15 G C 0.456 175.422 174.900 0.110 0.000 0.981 15 G CA 1.181 46.343 45.100 0.104 0.000 0.994 15 G HN 0.005 8.288 8.290 0.107 0.071 0.514 16 K N -2.697 117.778 120.400 0.126 0.000 2.296 16 K HA -0.237 4.164 4.320 0.135 0.000 0.200 16 K C 1.033 177.712 176.600 0.132 0.000 1.048 16 K CA 1.806 58.176 56.287 0.138 0.000 0.966 16 K CB -0.459 32.138 32.500 0.162 0.000 0.754 16 K HN 0.069 8.388 8.250 0.132 0.009 0.466 17 T N 2.080 116.699 114.554 0.108 0.000 2.809 17 T HA -0.178 4.240 4.350 0.113 0.000 0.260 17 T C 1.373 176.105 174.700 0.054 0.000 1.039 17 T CA 4.370 66.523 62.100 0.090 0.000 1.141 17 T CB -0.209 68.700 68.868 0.069 0.000 0.869 17 T HN -0.213 8.063 8.240 0.105 0.027 0.437 18 C N 1.372 120.691 119.300 0.030 0.000 2.435 18 C HA -0.182 4.204 4.460 -0.123 0.000 0.279 18 C C 1.276 176.278 174.990 0.020 0.000 1.321 18 C CA 3.066 62.058 59.018 -0.042 0.000 1.752 18 C CB -0.770 26.935 27.740 -0.058 0.000 1.959 18 C HN 0.144 8.407 8.230 0.055 0.000 0.500 19 L N -0.263 121.018 121.223 0.096 0.000 2.141 19 L HA -0.080 4.346 4.340 0.144 0.000 0.209 19 L C 1.300 178.289 176.870 0.199 0.000 1.094 19 L CA 3.233 58.165 54.840 0.153 0.000 0.763 19 L CB -1.156 41.001 42.059 0.163 0.000 0.908 19 L HN -0.787 7.486 8.230 0.102 0.018 0.437 20 L N -1.367 119.970 121.223 0.189 0.000 2.056 20 L HA -0.368 4.204 4.340 0.387 0.000 0.207 20 L C 2.488 179.336 176.870 -0.036 0.000 1.078 20 L CA 2.844 57.804 54.840 0.200 0.000 0.749 20 L CB -0.321 41.871 42.059 0.222 0.000 0.901 20 L HN -0.879 7.340 8.230 0.158 0.105 0.433 21 I N -0.463 120.036 120.570 -0.119 0.000 2.094 21 I HA -0.383 3.523 4.170 -0.441 0.000 0.234 21 I C 2.522 178.531 176.117 -0.179 0.000 1.063 21 I CA 1.852 63.001 61.300 -0.252 0.000 1.328 21 I CB -1.357 36.509 38.000 -0.223 0.000 1.058 21 I HN -0.603 7.574 8.210 -0.056 0.000 0.400 22 S N 0.323 115.971 115.700 -0.085 0.000 2.428 22 S HA -0.422 4.278 4.470 -0.050 -0.261 0.240 22 S C 2.193 176.771 174.600 -0.035 0.000 1.036 22 S CA 3.404 61.587 58.200 -0.029 0.000 1.009 22 S CB -0.351 62.889 63.200 0.067 0.000 0.803 22 S HN -0.336 7.929 8.310 -0.076 0.000 0.486 23 Y N 1.268 121.453 120.300 -0.192 0.000 2.145 23 Y HA -0.217 4.207 4.550 -0.210 0.000 0.286 23 Y C 1.574 177.278 175.900 -0.327 0.000 1.145 23 Y CA 2.992 60.904 58.100 -0.312 0.000 1.148 23 Y CB -0.029 38.036 38.460 -0.658 0.000 0.981 23 Y HN -0.686 7.582 8.280 0.045 0.039 0.507 24 T N -4.369 109.829 114.554 -0.594 0.000 3.009 24 T HA -0.032 3.817 4.350 -0.835 0.000 0.258 24 T C 1.382 175.859 174.700 -0.371 0.000 1.063 24 T CA 1.749 63.477 62.100 -0.619 0.000 1.139 24 T CB 1.166 69.723 68.868 -0.518 0.000 0.890 24 T HN -0.382 7.544 8.240 -0.384 0.084 0.471 25 T N -3.898 110.488 114.554 -0.281 0.000 3.060 25 T HA 0.029 4.270 4.350 -0.181 0.000 0.249 25 T C 0.856 175.478 174.700 -0.131 0.000 1.079 25 T CA -0.496 61.491 62.100 -0.188 0.000 1.013 25 T CB 1.491 70.257 68.868 -0.169 0.000 0.975 25 T HN 0.024 7.982 8.240 -0.283 0.112 0.518 26 N N -0.983 117.639 118.700 -0.130 0.000 2.681 26 N HA -0.469 4.550 4.740 -0.052 -0.310 0.250 26 N C -1.515 173.981 175.510 -0.023 0.000 1.133 26 N CA 1.798 54.806 53.050 -0.069 0.000 0.732 26 N CB -0.617 37.825 38.487 -0.074 0.000 1.107 26 N HN -0.037 8.112 8.380 -0.173 0.128 0.559 27 K N -3.021 117.369 120.400 -0.017 0.000 2.508 27 K HA 0.238 4.594 4.320 0.060 0.000 0.260 27 K C -2.458 174.184 176.600 0.070 0.000 0.949 27 K CA -1.851 54.455 56.287 0.032 0.000 0.834 27 K CB 3.444 35.947 32.500 0.006 0.000 1.365 27 K HN -0.978 7.195 8.250 -0.051 0.047 0.437 28 F N 4.476 124.415 119.950 -0.020 0.000 2.411 28 F HA 0.282 4.804 4.527 -0.007 0.000 0.350 28 F C -1.564 174.233 175.800 -0.005 0.000 1.114 28 F CA -3.024 54.971 58.000 -0.009 0.000 1.135 28 F CB 1.020 40.019 39.000 -0.002 0.000 1.120 28 F HN 0.251 8.697 8.300 0.243 0.000 0.495 29 P HA 0.008 4.342 4.420 -0.143 0.000 0.291 29 P C -1.355 175.840 177.300 -0.175 0.000 1.287 29 P CA -0.213 62.702 63.100 -0.308 0.000 0.767 29 P CB 0.887 32.378 31.700 -0.348 0.000 1.290 30 S N -3.446 112.216 115.700 -0.063 0.000 3.364 30 S HA 0.061 4.611 4.470 0.133 0.000 0.257 30 S C -0.160 174.475 174.600 0.059 0.000 1.098 30 S CA 0.114 58.347 58.200 0.056 0.000 0.888 30 S CB 0.602 63.848 63.200 0.077 0.000 0.925 30 S HN -0.043 8.222 8.310 -0.075 0.000 0.442 31 E N 1.308 121.532 120.200 0.040 0.000 2.408 31 E HA -0.066 4.338 4.350 0.091 0.000 0.259 31 E C -1.172 175.505 176.600 0.128 0.000 1.110 31 E CA 0.509 56.952 56.400 0.072 0.000 0.929 31 E CB 0.519 30.241 29.700 0.038 0.000 0.971 31 E HN -0.243 8.125 8.360 0.014 0.000 0.438 32 Y N 2.679 122.979 120.300 -0.000 0.000 2.526 32 Y HA 0.239 4.782 4.550 -0.013 0.000 0.328 32 Y C -1.478 174.427 175.900 0.009 0.000 0.995 32 Y CA -0.878 57.223 58.100 0.002 0.000 1.304 32 Y CB 0.127 38.596 38.460 0.016 0.000 1.096 32 Y HN 0.094 8.481 8.280 0.177 0.000 0.499 33 V N 4.424 124.146 119.914 -0.321 0.000 5.608 33 V HA 0.164 3.954 4.120 -0.551 0.000 0.408 33 V C -2.363 173.631 176.094 -0.166 0.000 1.310 33 V CA -0.149 61.948 62.300 -0.339 0.000 2.246 33 V CB 0.028 31.734 31.823 -0.194 0.000 0.162 33 V HN -0.004 8.095 8.190 -0.151 0.000 0.471 34 P HA 0.333 4.740 4.420 -0.021 0.000 0.300 34 P C -1.148 176.125 177.300 -0.045 0.000 1.349 34 P CA -0.199 62.872 63.100 -0.048 0.000 1.054 34 P CB 0.813 32.505 31.700 -0.012 0.000 1.548 35 T N 2.322 116.817 114.554 -0.099 0.000 2.997 35 T HA -0.042 4.262 4.350 -0.077 0.000 0.311 35 T C -0.943 173.654 174.700 -0.172 0.000 1.079 35 T CA 1.099 63.129 62.100 -0.118 0.000 0.982 35 T CB -0.164 68.622 68.868 -0.137 0.000 1.032 35 T HN -0.116 8.035 8.240 -0.149 0.000 0.581 36 V N 4.123 123.982 119.914 -0.092 0.000 5.258 36 V HA 0.027 4.017 4.120 -0.216 0.000 0.122 36 V C -1.959 174.233 176.094 0.162 0.000 1.199 36 V CA -0.291 61.993 62.300 -0.028 0.000 1.018 36 V CB 1.984 33.855 31.823 0.080 0.000 1.289 36 V HN -0.259 7.903 8.190 -0.047 0.000 0.656 37 F N -0.427 119.512 119.950 -0.019 0.000 2.656 37 F HA 0.168 4.894 4.527 -0.003 -0.200 0.326 37 F C -2.421 173.344 175.800 -0.057 0.000 1.109 37 F CA 0.011 58.004 58.000 -0.011 0.000 1.086 37 F CB 2.839 41.850 39.000 0.019 0.000 1.324 37 F HN -0.421 7.956 8.300 0.128 0.000 0.511 38 D N 7.840 127.906 120.400 -0.557 0.000 2.616 38 D HA 0.244 4.680 4.640 -0.340 0.000 0.238 38 D C -2.196 173.425 176.300 -1.133 0.000 1.354 38 D CA -0.061 53.562 54.000 -0.629 0.000 0.970 38 D CB 3.143 43.684 40.800 -0.433 0.000 1.369 38 D HN -0.109 7.748 8.370 -0.855 0.000 0.585 39 N N 3.426 121.624 118.700 -0.836 0.000 2.437 39 N HA 0.400 4.767 4.740 -0.934 -0.188 0.259 39 N C -1.193 173.876 175.510 -0.736 0.000 0.983 39 N CA -0.451 52.123 53.050 -0.794 0.000 0.937 39 N CB 1.518 39.789 38.487 -0.360 0.000 1.122 39 N HN 0.191 8.291 8.380 -0.465 0.000 0.499 40 Y N 4.718 124.840 120.300 -0.296 0.000 2.409 40 Y HA 0.207 4.663 4.550 -0.157 0.000 0.339 40 Y C -1.731 174.040 175.900 -0.214 0.000 1.033 40 Y CA -1.810 56.171 58.100 -0.199 0.000 1.094 40 Y CB 2.869 41.244 38.460 -0.142 0.000 1.210 40 Y HN 0.789 8.578 8.280 -0.639 0.108 0.456 41 A N 2.210 125.026 122.820 -0.007 0.000 2.311 41 A HA 0.846 5.374 4.320 -0.053 -0.239 0.306 41 A C -1.315 176.252 177.584 -0.028 0.000 1.189 41 A CA -1.535 50.478 52.037 -0.040 0.000 0.791 41 A CB 1.880 20.848 19.000 -0.052 0.000 1.172 41 A HN 0.358 8.526 8.150 0.030 0.000 0.481 42 V N 4.304 124.203 119.914 -0.026 0.000 2.834 42 V HA 0.247 4.314 4.120 -0.089 0.000 0.313 42 V C -0.639 175.443 176.094 -0.019 0.000 1.060 42 V CA -1.565 60.698 62.300 -0.061 0.000 0.989 42 V CB 3.493 35.242 31.823 -0.123 0.000 1.041 42 V HN 0.230 8.421 8.190 0.000 0.000 0.459 43 T N 6.780 121.315 114.554 -0.031 0.000 3.053 43 T HA 0.557 5.167 4.350 0.035 -0.238 0.363 43 T C -1.219 173.487 174.700 0.012 0.000 1.239 43 T CA -0.682 61.422 62.100 0.006 0.000 1.071 43 T CB 0.313 69.178 68.868 -0.004 0.000 1.089 43 T HN 0.106 8.305 8.240 -0.068 0.000 0.527 44 V N 5.709 125.654 119.914 0.052 0.000 2.834 44 V HA 0.167 4.295 4.120 0.013 0.000 0.313 44 V C -0.831 175.300 176.094 0.062 0.000 1.060 44 V CA -2.601 59.726 62.300 0.045 0.000 0.989 44 V CB 2.462 34.322 31.823 0.061 0.000 1.041 44 V HN -0.015 8.228 8.190 0.087 0.000 0.459 45 M N 2.472 122.087 119.600 0.025 0.000 2.725 45 M HA 0.125 4.797 4.480 0.041 -0.168 0.322 45 M C -0.241 176.026 176.300 -0.054 0.000 1.393 45 M CA -0.981 54.324 55.300 0.009 0.000 1.452 45 M CB -2.315 30.286 32.600 0.002 0.000 1.242 45 M HN 0.350 8.648 8.290 0.014 0.000 0.487 46 I N 2.873 123.355 120.570 -0.146 0.000 2.377 46 I HA 0.191 4.227 4.170 -0.223 0.000 0.293 46 I C 0.796 176.626 176.117 -0.479 0.000 0.987 46 I CA -0.664 60.415 61.300 -0.368 0.000 1.185 46 I CB 1.199 38.833 38.000 -0.610 0.000 1.341 46 I HN 0.464 8.631 8.210 -0.071 0.000 0.455 47 G N 7.856 116.478 108.800 -0.296 0.000 2.203 47 G HA2 -0.377 3.503 3.960 -0.133 0.000 0.263 47 G HA3 -0.377 3.434 3.960 -0.249 0.000 0.263 47 G C 0.405 175.248 174.900 -0.095 0.000 1.012 47 G CA 0.357 45.339 45.100 -0.197 0.000 0.749 47 G HN 0.763 8.918 8.290 -0.224 0.000 0.512 48 G N -3.642 105.115 108.800 -0.072 0.000 2.137 48 G HA2 -0.386 3.564 3.960 -0.016 0.000 0.237 48 G HA3 -0.386 3.569 3.960 -0.009 0.000 0.237 48 G C -1.120 173.793 174.900 0.022 0.000 1.002 48 G CA -0.199 44.891 45.100 -0.017 0.000 0.702 48 G HN 0.201 8.396 8.290 -0.095 0.038 0.515 49 E N -1.449 118.776 120.200 0.041 0.000 2.366 49 E HA 0.380 4.789 4.350 0.099 0.000 0.278 49 E C -2.836 173.888 176.600 0.207 0.000 0.923 49 E CA -2.809 53.676 56.400 0.142 0.000 0.761 49 E CB 3.075 32.927 29.700 0.254 0.000 1.231 49 E HN -0.543 7.657 8.360 -0.025 0.145 0.443 50 P HA 0.108 4.737 4.420 0.121 -0.136 0.264 50 P C -1.468 175.965 177.300 0.223 0.000 1.537 50 P CA -0.051 63.138 63.100 0.148 0.000 1.189 50 P CB -0.942 30.802 31.700 0.073 0.000 1.687 51 Y N 4.694 125.000 120.300 0.010 0.000 2.289 51 Y HA -0.065 4.494 4.550 0.014 0.000 0.332 51 Y C -0.052 175.857 175.900 0.014 0.000 1.324 51 Y CA -0.182 57.927 58.100 0.015 0.000 1.478 51 Y CB 1.824 40.299 38.460 0.024 0.000 1.378 51 Y HN 0.837 9.254 8.280 0.359 0.079 0.558 52 T N 1.217 115.835 114.554 0.107 0.000 2.829 52 T HA 0.627 5.243 4.350 0.061 -0.230 0.280 52 T C -1.615 173.143 174.700 0.096 0.000 0.999 52 T CA -0.569 61.569 62.100 0.063 0.000 0.983 52 T CB 1.783 70.653 68.868 0.004 0.000 0.968 52 T HN 0.076 8.337 8.240 0.034 0.000 0.446 53 L N 5.918 127.192 121.223 0.086 0.000 2.295 53 L HA 0.363 4.783 4.340 0.134 0.000 0.281 53 L C -1.937 174.972 176.870 0.065 0.000 1.018 53 L CA -1.346 53.562 54.840 0.113 0.000 0.841 53 L CB 2.346 44.502 42.059 0.161 0.000 1.218 53 L HN 0.981 9.128 8.230 0.059 0.117 0.424 54 G N 6.620 115.456 108.800 0.060 0.000 2.439 54 G HA2 0.191 4.052 3.960 -0.163 0.000 0.298 54 G HA3 0.191 4.276 3.960 0.053 -0.094 0.298 54 G C -1.713 173.123 174.900 -0.106 0.000 1.044 54 G CA -0.263 44.806 45.100 -0.053 0.000 1.168 54 G HN 0.503 8.758 8.290 0.100 0.095 0.433 55 L N 5.795 126.890 121.223 -0.212 0.000 2.264 55 L HA 0.485 5.069 4.340 0.100 -0.184 0.289 55 L C -1.181 175.438 176.870 -0.419 0.000 1.044 55 L CA -0.589 54.208 54.840 -0.072 0.000 0.807 55 L CB 1.132 43.304 42.059 0.189 0.000 1.192 55 L HN 1.013 9.014 8.230 -0.216 0.099 0.425 56 F N 3.893 123.830 119.950 -0.021 0.000 2.427 56 F HA 0.280 4.584 4.527 -0.372 0.000 0.348 56 F C -1.839 173.846 175.800 -0.191 0.000 1.125 56 F CA -1.232 56.651 58.000 -0.194 0.000 0.989 56 F CB 2.861 41.804 39.000 -0.095 0.000 1.165 56 F HN 1.124 9.545 8.300 0.202 0.000 0.442 57 D N 3.789 124.040 120.400 -0.249 0.000 2.232 57 D HA 0.529 5.186 4.640 0.029 0.000 0.242 57 D C -0.714 175.479 176.300 -0.178 0.000 1.093 57 D CA -1.803 52.117 54.000 -0.133 0.000 0.845 57 D CB 2.495 43.239 40.800 -0.094 0.000 1.124 57 D HN -0.060 7.978 8.370 -0.554 0.000 0.467 58 T N 2.094 116.654 114.554 0.009 0.000 2.867 58 T HA 0.272 4.690 4.350 0.114 0.000 0.286 58 T C -0.137 174.574 174.700 0.019 0.000 1.022 58 T CA -1.881 60.259 62.100 0.067 0.000 0.933 58 T CB 2.218 71.162 68.868 0.127 0.000 1.280 58 T HN -0.442 7.836 8.240 0.062 0.000 0.566 59 A N 0.541 123.357 122.820 -0.007 0.000 2.115 59 A HA 0.075 4.296 4.320 -0.165 0.000 0.211 59 A C 0.348 177.859 177.584 -0.123 0.000 1.169 59 A CA 0.535 52.483 52.037 -0.148 0.000 0.787 59 A CB -0.046 18.749 19.000 -0.342 0.000 0.858 59 A HN 0.468 8.639 8.150 0.035 0.000 0.474 60 G N -2.245 106.521 108.800 -0.057 0.000 2.295 60 G HA2 -0.297 3.763 3.960 -0.084 0.000 0.287 60 G HA3 -0.297 3.627 3.960 -0.050 0.005 0.287 60 G C -1.091 173.762 174.900 -0.079 0.000 1.055 60 G CA 0.371 45.430 45.100 -0.068 0.000 0.922 60 G HN 0.109 8.387 8.290 -0.020 0.000 0.503 61 Q N -3.913 115.852 119.800 -0.059 0.000 2.943 61 Q HA 0.292 4.698 4.340 -0.026 -0.082 0.328 61 Q C -0.561 175.455 176.000 0.027 0.000 0.934 61 Q CA -0.731 55.063 55.803 -0.014 0.000 0.782 61 Q CB 3.023 31.764 28.738 0.005 0.000 1.470 61 Q HN -0.432 7.811 8.270 -0.046 0.000 0.503 62 E N 0.496 120.731 120.200 0.058 0.000 2.372 62 E HA -0.020 4.344 4.350 0.022 0.000 0.201 62 E C 1.021 177.667 176.600 0.077 0.000 0.938 62 E CA 1.661 58.087 56.400 0.043 0.000 0.944 62 E CB 0.220 29.928 29.700 0.013 0.000 0.937 62 E HN 0.306 8.707 8.360 0.069 0.000 0.495 63 D N 0.985 121.470 120.400 0.142 0.000 2.264 63 D HA -0.192 4.454 4.640 0.010 0.000 0.208 63 D C 0.523 176.829 176.300 0.011 0.000 0.966 63 D CA 2.618 56.670 54.000 0.086 0.000 0.864 63 D CB 0.202 41.072 40.800 0.115 0.000 0.933 63 D HN -0.401 8.072 8.370 0.172 0.000 0.499 64 Y N -4.475 115.811 120.300 -0.022 0.000 2.683 64 Y HA 0.120 4.654 4.550 -0.027 0.000 0.297 64 Y C -0.801 175.074 175.900 -0.042 0.000 1.147 64 Y CA -1.829 56.257 58.100 -0.024 0.000 1.274 64 Y CB -0.717 37.740 38.460 -0.005 0.000 1.143 64 Y HN -0.395 8.121 8.280 0.457 0.038 0.527 65 D N -1.026 119.410 120.400 0.060 0.000 2.264 65 D HA -0.164 4.474 4.640 -0.004 0.000 0.208 65 D C 1.594 177.876 176.300 -0.030 0.000 0.966 65 D CA 1.863 55.863 54.000 0.001 0.000 0.864 65 D CB 0.096 40.888 40.800 -0.014 0.000 0.933 65 D HN -0.629 7.681 8.370 0.048 0.089 0.499 66 R N -1.777 118.701 120.500 -0.037 0.000 2.064 66 R HA -0.174 4.137 4.340 -0.049 0.000 0.228 66 R C 0.894 177.158 176.300 -0.060 0.000 1.144 66 R CA 2.295 58.362 56.100 -0.054 0.000 0.932 66 R CB -0.160 30.095 30.300 -0.074 0.000 0.833 66 R HN 0.151 8.356 8.270 -0.040 0.041 0.429 67 L N -8.453 112.739 121.223 -0.052 0.000 2.688 67 L HA 0.298 4.580 4.340 -0.096 0.000 0.234 67 L C 0.236 177.071 176.870 -0.057 0.000 1.192 67 L CA -0.183 54.614 54.840 -0.073 0.000 0.984 67 L CB -1.039 40.971 42.059 -0.083 0.000 1.232 67 L HN -0.248 7.959 8.230 -0.038 0.000 0.465 68 R N 0.121 120.585 120.500 -0.061 0.000 2.051 68 R HA 0.003 4.339 4.340 -0.006 0.000 0.225 68 R C -0.280 175.829 176.300 -0.320 0.000 1.155 68 R CA 3.924 59.959 56.100 -0.108 0.000 0.945 68 R CB -1.644 28.592 30.300 -0.106 0.000 0.840 68 R HN -0.723 7.301 8.270 -0.057 0.212 0.432 69 P HA -0.121 3.367 4.420 -1.553 0.000 0.222 69 P C 1.606 178.750 177.300 -0.259 0.000 1.142 69 P CA 2.219 64.957 63.100 -0.604 0.000 0.788 69 P CB -0.984 30.606 31.700 -0.184 0.000 0.767 70 L N -4.209 116.917 121.223 -0.162 0.000 2.197 70 L HA -0.316 3.980 4.340 -0.073 0.000 0.215 70 L C 0.840 177.672 176.870 -0.064 0.000 1.095 70 L CA 2.600 57.380 54.840 -0.100 0.000 0.764 70 L CB -0.634 41.335 42.059 -0.150 0.000 0.897 70 L HN 0.116 8.181 8.230 -0.169 0.063 0.436 71 S N -4.287 111.397 115.700 -0.028 0.000 2.597 71 S HA 0.029 4.388 4.470 -0.184 0.000 0.224 71 S C 0.133 174.818 174.600 0.142 0.000 0.955 71 S CA 1.139 59.330 58.200 -0.016 0.000 0.933 71 S CB 0.054 63.342 63.200 0.145 0.000 0.788 71 S HN -0.493 7.722 8.310 -0.086 0.043 0.488 72 Y N 2.223 122.547 120.300 0.041 0.000 2.301 72 Y HA 0.352 5.013 4.550 0.184 0.000 0.295 72 Y C 0.452 176.392 175.900 0.066 0.000 1.126 72 Y CA 0.648 58.836 58.100 0.147 0.000 1.154 72 Y CB -2.375 36.261 38.460 0.293 0.000 1.075 72 Y HN 0.554 8.720 8.280 0.155 0.207 0.534 73 P HA -0.295 4.161 4.420 0.061 0.000 0.214 73 P C 0.312 177.621 177.300 0.016 0.000 1.172 73 P CA 2.479 65.619 63.100 0.067 0.000 0.925 73 P CB -0.219 31.495 31.700 0.024 0.000 0.793 74 Q N -2.098 117.677 119.800 -0.042 0.000 3.181 74 Q HA 0.109 4.429 4.340 -0.032 0.000 0.293 74 Q C -1.225 174.709 176.000 -0.111 0.000 1.406 74 Q CA -0.760 55.001 55.803 -0.070 0.000 1.026 74 Q CB -1.012 27.675 28.738 -0.085 0.000 1.630 74 Q HN 0.346 8.577 8.270 -0.065 0.000 0.553 75 T N 0.728 115.232 114.554 -0.083 0.000 2.907 75 T HA 0.172 4.417 4.350 -0.175 0.000 0.292 75 T C -1.499 173.118 174.700 -0.137 0.000 1.043 75 T CA -1.089 60.904 62.100 -0.178 0.000 1.003 75 T CB 2.644 71.307 68.868 -0.342 0.000 1.084 75 T HN -0.479 7.680 8.240 -0.032 0.062 0.483 76 D N 3.203 123.496 120.400 -0.178 0.000 3.099 76 D HA 0.280 4.883 4.640 -0.062 0.000 0.291 76 D C -1.628 174.587 176.300 -0.142 0.000 1.209 76 D CA 0.585 54.522 54.000 -0.105 0.000 1.032 76 D CB 2.661 43.433 40.800 -0.047 0.000 1.324 76 D HN 0.110 8.339 8.370 -0.234 0.000 0.440 77 V N -2.566 117.230 119.914 -0.196 0.000 3.166 77 V HA 0.248 4.488 4.120 -0.066 -0.160 0.317 77 V C -2.139 173.784 176.094 -0.285 0.000 1.136 77 V CA -2.622 59.597 62.300 -0.134 0.000 1.035 77 V CB 3.133 34.924 31.823 -0.054 0.000 1.110 77 V HN -0.781 7.294 8.190 -0.191 0.000 0.450 78 F N 0.103 120.090 119.950 0.062 0.000 2.556 78 F HA 0.322 5.044 4.527 0.108 -0.130 0.314 78 F C -1.147 174.720 175.800 0.113 0.000 1.106 78 F CA -1.285 56.788 58.000 0.122 0.000 0.911 78 F CB 3.980 43.101 39.000 0.203 0.000 1.190 78 F HN -0.525 7.932 8.300 0.261 0.000 0.448 79 L N 2.748 124.121 121.223 0.251 0.000 2.287 79 L HA 0.137 4.537 4.340 0.100 0.000 0.280 79 L C -1.108 175.903 176.870 0.236 0.000 1.055 79 L CA -0.223 54.705 54.840 0.147 0.000 0.863 79 L CB 0.488 42.558 42.059 0.017 0.000 1.245 79 L HN 0.814 9.192 8.230 0.246 0.000 0.432 80 V N 5.851 125.914 119.914 0.249 0.000 2.267 80 V HA 0.228 4.847 4.120 0.459 -0.223 0.254 80 V C -0.293 175.968 176.094 0.279 0.000 1.144 80 V CA -2.176 60.320 62.300 0.327 0.000 0.992 80 V CB -1.636 30.335 31.823 0.246 0.000 1.199 80 V HN 0.372 8.688 8.190 0.210 0.000 0.493 81 C N 6.860 126.362 119.300 0.336 0.000 2.442 81 C HA 0.076 4.813 4.460 0.201 -0.157 0.362 81 C C -0.606 174.513 174.990 0.216 0.000 1.242 81 C CA 0.390 59.559 59.018 0.253 0.000 1.741 81 C CB -0.725 27.140 27.740 0.209 0.000 2.378 81 C HN -0.210 8.257 8.230 0.395 0.000 0.549 82 F N 5.243 125.081 119.950 -0.186 0.000 2.508 82 F HA 0.438 4.633 4.527 -0.554 0.000 0.325 82 F C -1.785 173.947 175.800 -0.113 0.000 1.090 82 F CA -2.764 54.991 58.000 -0.407 0.000 0.945 82 F CB 2.870 41.463 39.000 -0.679 0.000 1.156 82 F HN 0.302 8.819 8.300 0.361 0.000 0.463 83 S N 2.693 118.211 115.700 -0.303 0.000 2.498 83 S HA 0.004 4.451 4.470 -0.289 -0.151 0.281 83 S C 1.039 175.317 174.600 -0.537 0.000 1.265 83 S CA 0.308 58.321 58.200 -0.312 0.000 1.071 83 S CB -0.092 63.067 63.200 -0.068 0.000 0.894 83 S HN 0.422 8.683 8.310 -0.081 0.000 0.491 84 V N 6.602 126.175 119.914 -0.568 0.000 2.515 84 V HA -0.320 3.430 4.120 -0.616 0.000 0.250 84 V C 0.108 176.092 176.094 -0.184 0.000 1.058 84 V CA 3.543 65.580 62.300 -0.439 0.000 1.064 84 V CB -0.006 31.655 31.823 -0.269 0.000 0.675 84 V HN -0.186 7.733 8.190 -0.453 0.000 0.461 85 V N -7.831 112.003 119.914 -0.134 0.000 3.272 85 V HA 0.120 4.201 4.120 -0.065 0.000 0.361 85 V C -0.860 175.212 176.094 -0.036 0.000 1.288 85 V CA -1.826 60.433 62.300 -0.068 0.000 1.315 85 V CB -2.198 29.595 31.823 -0.049 0.000 1.235 85 V HN -0.348 7.730 8.190 -0.152 0.021 0.465 86 S N 0.849 116.534 115.700 -0.025 0.000 2.387 86 S HA 0.428 4.914 4.470 0.026 0.000 0.211 86 S C -2.078 172.573 174.600 0.086 0.000 1.055 86 S CA -1.798 56.421 58.200 0.031 0.000 1.133 86 S CB 2.146 65.376 63.200 0.051 0.000 1.235 86 S HN -0.799 7.374 8.310 -0.052 0.105 0.425 87 P HA -0.248 4.233 4.420 0.103 0.000 0.217 87 P C 1.219 178.631 177.300 0.187 0.000 1.148 87 P CA 1.988 65.151 63.100 0.105 0.000 0.828 87 P CB 0.271 31.993 31.700 0.036 0.000 0.783 88 S N -1.925 113.863 115.700 0.147 0.000 2.368 88 S HA -0.408 4.148 4.470 0.144 0.000 0.226 88 S C 1.868 176.593 174.600 0.209 0.000 1.044 88 S CA 4.065 62.361 58.200 0.161 0.000 1.062 88 S CB -0.546 62.739 63.200 0.143 0.000 0.931 88 S HN 0.305 8.657 8.310 0.113 0.026 0.440 89 S N 1.856 117.693 115.700 0.229 0.000 2.359 89 S HA -0.309 4.380 4.470 0.365 0.000 0.224 89 S C 1.532 176.147 174.600 0.026 0.000 1.035 89 S CA 3.178 61.495 58.200 0.195 0.000 1.018 89 S CB -0.530 62.758 63.200 0.147 0.000 0.876 89 S HN -0.578 7.855 8.310 0.206 0.000 0.448 90 F N 3.247 123.229 119.950 0.053 0.000 2.091 90 F HA -0.435 3.892 4.527 -0.333 0.000 0.299 90 F C 1.388 177.098 175.800 -0.150 0.000 1.103 90 F CA 3.696 61.644 58.000 -0.085 0.000 1.228 90 F CB 0.181 39.218 39.000 0.062 0.000 0.984 90 F HN -0.798 7.692 8.300 0.419 0.061 0.477 91 E N -1.671 118.604 120.200 0.126 0.000 2.031 91 E HA -0.479 3.880 4.350 0.014 0.000 0.193 91 E C 2.704 179.271 176.600 -0.055 0.000 0.994 91 E CA 3.494 59.917 56.400 0.038 0.000 0.800 91 E CB -0.194 29.575 29.700 0.115 0.000 0.752 91 E HN 0.057 8.573 8.360 0.261 0.000 0.447 92 N N -0.760 117.968 118.700 0.047 0.000 2.188 92 N HA -0.200 4.751 4.740 0.108 -0.146 0.184 92 N C 2.922 178.501 175.510 0.115 0.000 1.018 92 N CA 2.281 55.432 53.050 0.168 0.000 0.858 92 N CB -0.094 38.649 38.487 0.427 0.000 0.989 92 N HN -0.551 7.893 8.380 0.106 0.000 0.426 93 V N 0.631 120.353 119.914 -0.320 0.000 2.277 93 V HA -0.577 3.017 4.120 -0.876 0.000 0.255 93 V C 0.903 176.764 176.094 -0.388 0.000 1.074 93 V CA 4.706 66.601 62.300 -0.675 0.000 1.058 93 V CB -0.178 31.019 31.823 -1.044 0.000 0.656 93 V HN 0.820 8.673 8.190 -0.359 0.122 0.449 94 K N -5.814 114.332 120.400 -0.424 0.000 2.262 94 K HA -0.107 4.007 4.320 -0.343 0.000 0.200 94 K C 0.133 176.619 176.600 -0.191 0.000 1.049 94 K CA 1.970 58.052 56.287 -0.342 0.000 0.979 94 K CB 0.433 32.686 32.500 -0.412 0.000 0.773 94 K HN -0.844 7.105 8.250 -0.492 0.005 0.474 95 E N -0.835 119.294 120.200 -0.118 0.000 3.898 95 E HA 0.189 4.492 4.350 -0.077 0.000 0.219 95 E C -1.256 175.348 176.600 0.006 0.000 1.207 95 E CA -0.445 55.919 56.400 -0.060 0.000 1.240 95 E CB 0.414 30.081 29.700 -0.055 0.000 1.239 95 E HN -0.614 7.555 8.360 -0.121 0.118 0.422 96 K N -0.872 119.552 120.400 0.042 0.000 1.934 96 K HA -0.006 4.308 4.320 -0.010 0.000 0.141 96 K C -0.321 176.319 176.600 0.066 0.000 2.505 96 K CA 2.116 58.443 56.287 0.067 0.000 1.204 96 K CB 0.164 32.753 32.500 0.148 0.000 2.779 96 K HN 0.046 8.304 8.250 0.013 0.000 0.384 97 W N -0.147 121.079 121.300 -0.123 0.000 2.413 97 W HA -0.176 4.440 4.660 -0.073 0.000 0.315 97 W C 1.718 178.124 176.519 -0.189 0.000 1.186 97 W CA 4.177 61.453 57.345 -0.115 0.000 1.326 97 W CB 0.224 29.631 29.460 -0.090 0.000 1.153 97 W HN -0.159 8.246 8.180 0.558 0.109 0.489 98 V N -2.117 117.790 119.914 -0.011 0.000 2.323 98 V HA -0.310 3.624 4.120 -0.309 0.000 0.244 98 V C -0.960 174.952 176.094 -0.305 0.000 1.041 98 V CA 5.550 67.690 62.300 -0.267 0.000 1.025 98 V CB -2.149 29.441 31.823 -0.389 0.000 0.656 98 V HN -0.951 7.254 8.190 0.026 0.000 0.451 99 P HA -0.227 4.094 4.420 -0.165 0.000 0.216 99 P C 2.371 179.585 177.300 -0.144 0.000 1.154 99 P CA 3.006 66.012 63.100 -0.157 0.000 0.865 99 P CB -0.474 31.162 31.700 -0.106 0.000 0.789 100 E N -3.206 116.903 120.200 -0.151 0.000 2.219 100 E HA -0.249 4.015 4.350 -0.143 0.000 0.198 100 E C 1.041 177.519 176.600 -0.204 0.000 0.998 100 E CA 2.285 58.591 56.400 -0.156 0.000 0.818 100 E CB -0.472 29.142 29.700 -0.144 0.000 0.741 100 E HN -0.573 7.698 8.360 -0.134 0.009 0.477 101 I N -3.193 117.196 120.570 -0.302 0.000 2.628 101 I HA -0.079 3.803 4.170 -0.480 0.000 0.255 101 I C 1.904 177.889 176.117 -0.220 0.000 1.119 101 I CA 2.636 63.672 61.300 -0.440 0.000 1.448 101 I CB 0.244 37.771 38.000 -0.790 0.000 1.133 101 I HN -0.004 7.856 8.210 -0.302 0.168 0.438 102 T N 1.504 115.930 114.554 -0.213 0.000 2.737 102 T HA -0.422 3.908 4.350 -0.033 0.000 0.269 102 T C 1.211 175.922 174.700 0.019 0.000 1.040 102 T CA 4.064 66.108 62.100 -0.093 0.000 1.142 102 T CB -0.250 68.533 68.868 -0.142 0.000 0.861 102 T HN 0.180 8.171 8.240 -0.301 0.069 0.456 103 H N -0.505 118.529 119.070 -0.061 0.000 2.489 103 H HA -0.222 4.338 4.556 0.007 0.000 0.293 103 H C 1.070 176.473 175.328 0.126 0.000 1.066 103 H CA 1.970 58.019 56.048 0.001 0.000 1.305 103 H CB 0.387 30.123 29.762 -0.043 0.000 1.386 103 H HN -0.412 7.893 8.280 0.069 0.017 0.551 104 H N -3.535 115.535 119.070 -0.001 0.000 2.430 104 H HA 0.126 4.674 4.556 -0.013 0.000 0.297 104 H C -0.448 174.880 175.328 -0.001 0.000 1.016 104 H CA 0.845 56.890 56.048 -0.004 0.000 1.294 104 H CB 3.549 33.323 29.762 0.021 0.000 1.465 104 H HN 0.005 8.181 8.280 0.144 0.191 0.547 105 C N -1.761 117.619 119.300 0.132 0.000 3.233 105 C HA 0.435 4.949 4.460 0.090 0.000 0.299 105 C C -2.592 172.528 174.990 0.216 0.000 1.060 105 C CA -3.193 55.906 59.018 0.134 0.000 1.382 105 C CB 0.935 28.783 27.740 0.180 0.000 1.828 105 C HN 0.511 8.683 8.230 0.102 0.119 0.530 106 P HA -0.017 4.592 4.420 0.316 0.000 0.253 106 P C -0.317 177.143 177.300 0.267 0.000 1.260 106 P CA 0.605 63.847 63.100 0.237 0.000 0.800 106 P CB 0.461 32.216 31.700 0.092 0.000 1.162 107 K N -2.186 118.309 120.400 0.159 0.000 2.387 107 K HA 0.013 4.374 4.320 0.069 0.000 0.197 107 K C -1.132 175.398 176.600 -0.116 0.000 1.127 107 K CA 0.049 56.362 56.287 0.044 0.000 0.950 107 K CB -0.490 32.023 32.500 0.022 0.000 1.017 107 K HN -0.013 8.230 8.250 0.144 0.094 0.519 108 T N 0.077 114.540 114.554 -0.152 0.000 2.937 108 T HA -0.023 4.215 4.350 -0.187 0.000 0.316 108 T C -1.275 172.903 174.700 -0.870 0.000 1.079 108 T CA -2.029 59.896 62.100 -0.292 0.000 1.131 108 T CB -0.414 68.436 68.868 -0.029 0.000 1.000 108 T HN -0.400 7.838 8.240 -0.003 0.000 0.549 109 P HA -0.120 3.996 4.420 -0.508 0.000 0.269 109 P C -1.436 175.448 177.300 -0.692 0.000 1.217 109 P CA 0.227 63.001 63.100 -0.543 0.000 0.783 109 P CB 0.650 32.230 31.700 -0.200 0.000 0.898 110 F N -2.342 117.666 119.950 0.098 0.000 2.716 110 F HA 0.191 4.832 4.527 0.190 0.000 0.354 110 F C -0.588 175.256 175.800 0.074 0.000 1.168 110 F CA -1.460 56.605 58.000 0.108 0.000 1.045 110 F CB 1.677 40.706 39.000 0.050 0.000 1.311 110 F HN 0.151 8.395 8.300 -0.092 0.000 0.477 111 L N 3.514 124.867 121.223 0.217 0.000 2.380 111 L HA 0.142 4.540 4.340 0.095 0.000 0.273 111 L C -1.863 175.086 176.870 0.133 0.000 1.138 111 L CA -0.309 54.602 54.840 0.118 0.000 0.832 111 L CB 1.657 43.736 42.059 0.033 0.000 1.124 111 L HN 0.723 9.094 8.230 0.236 0.000 0.454 112 L N 8.023 129.318 121.223 0.119 0.000 2.321 112 L HA 0.346 4.765 4.340 0.132 0.000 0.272 112 L C -2.338 174.641 176.870 0.180 0.000 1.050 112 L CA -1.595 53.341 54.840 0.160 0.000 0.893 112 L CB 0.921 43.099 42.059 0.198 0.000 1.272 112 L HN 0.190 8.483 8.230 0.105 0.000 0.435 113 V N 7.122 127.119 119.914 0.137 0.000 2.498 113 V HA 0.583 4.901 4.120 -0.029 -0.216 0.279 113 V C -0.301 175.903 176.094 0.184 0.000 1.048 113 V CA -1.614 60.726 62.300 0.066 0.000 0.967 113 V CB 0.516 32.328 31.823 -0.019 0.000 0.988 113 V HN -0.339 7.932 8.190 0.136 0.000 0.473 114 G N 6.491 115.333 108.800 0.069 0.000 2.468 114 G HA2 0.526 4.611 3.960 -0.031 0.000 0.315 114 G HA3 0.526 4.526 3.960 0.067 0.000 0.315 114 G C -1.917 172.934 174.900 -0.082 0.000 1.203 114 G CA -0.982 44.129 45.100 0.018 0.000 0.962 114 G HN 0.426 8.588 8.290 -0.055 0.095 0.476 115 T N 6.383 120.866 114.554 -0.118 0.000 2.938 115 T HA 0.735 5.252 4.350 -0.035 -0.188 0.285 115 T C -0.373 174.274 174.700 -0.089 0.000 1.028 115 T CA -2.122 59.942 62.100 -0.061 0.000 1.005 115 T CB 3.491 72.361 68.868 0.002 0.000 1.157 115 T HN -0.429 7.701 8.240 -0.184 0.000 0.550 116 Q N -1.833 117.948 119.800 -0.032 0.000 2.434 116 Q HA -0.300 4.041 4.340 0.002 0.000 0.288 116 Q C -0.338 175.639 176.000 -0.038 0.000 1.372 116 Q CA 1.048 56.834 55.803 -0.029 0.000 0.731 116 Q CB -1.441 27.266 28.738 -0.052 0.000 1.126 116 Q HN 0.831 9.102 8.270 0.001 0.000 0.398 117 I N -2.530 118.027 120.570 -0.022 0.000 2.339 117 I HA -0.371 3.779 4.170 -0.033 0.000 0.245 117 I C 1.087 177.194 176.117 -0.016 0.000 1.096 117 I CA 3.091 64.377 61.300 -0.022 0.000 1.408 117 I CB -0.169 37.823 38.000 -0.014 0.000 1.092 117 I HN 0.111 8.317 8.210 -0.007 0.000 0.423 118 D N -1.658 118.737 120.400 -0.008 0.000 2.170 118 D HA -0.359 4.270 4.640 -0.018 0.000 0.193 118 D C 1.358 177.648 176.300 -0.017 0.000 1.004 118 D CA 3.808 57.800 54.000 -0.014 0.000 0.860 118 D CB -0.487 40.306 40.800 -0.011 0.000 0.931 118 D HN -0.025 8.346 8.370 0.002 0.000 0.448 119 L N -2.240 118.974 121.223 -0.015 0.000 2.131 119 L HA -0.098 4.233 4.340 -0.017 0.000 0.206 119 L C 1.707 178.563 176.870 -0.022 0.000 1.087 119 L CA 2.093 56.923 54.840 -0.017 0.000 0.767 119 L CB -0.465 41.585 42.059 -0.014 0.000 0.917 119 L HN -0.544 7.671 8.230 -0.012 0.008 0.441 120 R N -1.370 119.113 120.500 -0.028 0.000 2.159 120 R HA -0.331 3.989 4.340 -0.034 0.000 0.237 120 R C 1.081 177.367 176.300 -0.023 0.000 1.131 120 R CA 3.009 59.091 56.100 -0.031 0.000 0.982 120 R CB -0.318 29.960 30.300 -0.037 0.000 0.868 120 R HN -0.700 7.470 8.270 -0.029 0.083 0.453 121 D N -3.966 116.422 120.400 -0.020 0.000 2.358 121 D HA 0.100 4.730 4.640 -0.016 0.000 0.224 121 D C -0.786 175.503 176.300 -0.018 0.000 1.123 121 D CA 0.363 54.353 54.000 -0.017 0.000 0.833 121 D CB 0.795 41.585 40.800 -0.016 0.000 0.946 121 D HN -0.351 7.864 8.370 -0.020 0.143 0.505 122 D N 0.665 121.054 120.400 -0.018 0.000 2.514 122 D HA 0.442 5.072 4.640 -0.017 0.000 0.267 122 D C -1.246 175.045 176.300 -0.016 0.000 1.165 122 D CA -3.188 50.802 54.000 -0.017 0.000 0.958 122 D CB 0.586 41.376 40.800 -0.018 0.000 0.992 122 D HN -0.089 8.063 8.370 -0.019 0.206 0.506 123 P HA -0.315 4.096 4.420 -0.015 0.000 0.218 123 P C 1.419 178.711 177.300 -0.013 0.000 1.147 123 P CA 2.139 65.230 63.100 -0.014 0.000 0.827 123 P CB 0.184 31.877 31.700 -0.013 0.000 0.778 124 S N -3.472 112.220 115.700 -0.013 0.000 2.374 124 S HA -0.264 4.200 4.470 -0.011 0.000 0.227 124 S C 1.419 176.013 174.600 -0.011 0.000 1.037 124 S CA 3.171 61.364 58.200 -0.011 0.000 1.024 124 S CB -0.125 63.068 63.200 -0.012 0.000 0.861 124 S HN -0.248 8.159 8.310 -0.014 -0.105 0.456 125 T N -0.894 113.653 114.554 -0.012 0.000 2.983 125 T HA 0.034 4.379 4.350 -0.008 0.000 0.250 125 T C 1.423 176.115 174.700 -0.012 0.000 1.037 125 T CA 2.613 64.707 62.100 -0.010 0.000 1.142 125 T CB 0.730 69.592 68.868 -0.010 0.000 0.876 125 T HN -0.183 8.054 8.240 -0.013 -0.004 0.455 126 I N 2.309 122.870 120.570 -0.015 0.000 2.118 126 I HA -0.647 3.511 4.170 -0.020 0.000 0.241 126 I C 2.042 178.149 176.117 -0.016 0.000 1.070 126 I CA 4.476 65.765 61.300 -0.018 0.000 1.327 126 I CB -0.191 37.797 38.000 -0.020 0.000 1.034 126 I HN -0.229 7.972 8.210 -0.015 0.000 0.405 127 E N -2.351 117.840 120.200 -0.014 0.000 2.208 127 E HA -0.315 4.026 4.350 -0.014 0.000 0.193 127 E C 2.118 178.712 176.600 -0.010 0.000 0.988 127 E CA 2.688 59.081 56.400 -0.013 0.000 0.828 127 E CB -0.490 29.203 29.700 -0.012 0.000 0.763 127 E HN 0.128 8.356 8.360 -0.014 0.124 0.478 128 K N -0.215 120.180 120.400 -0.009 0.000 2.026 128 K HA -0.199 4.117 4.320 -0.006 0.000 0.208 128 K C 1.750 178.347 176.600 -0.006 0.000 1.048 128 K CA 2.707 58.989 56.287 -0.007 0.000 0.929 128 K CB -0.119 32.378 32.500 -0.006 0.000 0.713 128 K HN -0.470 7.640 8.250 -0.010 0.133 0.439 129 L N -6.489 114.730 121.223 -0.007 0.000 2.463 129 L HA 0.351 4.690 4.340 -0.003 0.000 0.219 129 L C 1.529 178.394 176.870 -0.009 0.000 1.088 129 L CA 0.820 55.657 54.840 -0.005 0.000 0.849 129 L CB -0.275 41.782 42.059 -0.003 0.000 1.012 129 L HN -0.309 7.916 8.230 -0.008 0.000 0.468 130 A N 0.617 123.429 122.820 -0.013 0.000 2.042 130 A HA -0.228 4.244 4.320 -0.021 -0.165 0.222 130 A C 0.517 178.092 177.584 -0.015 0.000 1.167 130 A CA 2.703 54.729 52.037 -0.017 0.000 0.649 130 A CB -0.410 18.578 19.000 -0.019 0.000 0.809 130 A HN -0.065 7.984 8.150 -0.013 0.093 0.457 131 K N -5.339 115.055 120.400 -0.011 0.000 2.506 131 K HA 0.164 4.478 4.320 -0.010 0.000 0.204 131 K C -0.562 176.034 176.600 -0.005 0.000 1.045 131 K CA -0.649 55.633 56.287 -0.009 0.000 1.074 131 K CB 0.049 32.544 32.500 -0.008 0.000 0.842 131 K HN -0.370 7.830 8.250 -0.009 0.044 0.514 132 N N -0.878 117.820 118.700 -0.004 0.000 2.460 132 N HA 0.003 4.743 4.740 -0.000 0.000 0.193 132 N C 0.023 175.535 175.510 0.002 0.000 1.080 132 N CA 1.486 54.535 53.050 -0.000 0.000 0.869 132 N CB 2.175 40.662 38.487 0.001 0.000 1.201 132 N HN 0.206 8.438 8.380 -0.005 0.145 0.457 133 K N -6.496 113.904 120.400 0.001 0.000 1.429 133 K HA 0.014 4.336 4.320 0.004 0.000 0.089 133 K C -0.958 175.644 176.600 0.004 0.000 2.304 133 K CA 1.012 57.302 56.287 0.005 0.000 1.024 133 K CB 0.396 32.902 32.500 0.010 0.000 2.538 133 K HN -0.215 8.034 8.250 -0.002 0.000 0.354 134 Q N 0.744 120.545 119.800 0.002 0.000 2.194 134 Q HA 0.298 4.640 4.340 0.004 0.000 0.245 134 Q C -2.088 173.904 176.000 -0.015 0.000 0.993 134 Q CA -0.549 55.254 55.803 -0.001 0.000 0.930 134 Q CB 3.125 31.866 28.738 0.005 0.000 1.238 134 Q HN -0.484 7.787 8.270 0.001 0.000 0.486 135 K N -4.173 116.212 120.400 -0.025 0.000 2.610 135 K HA 0.261 4.559 4.320 -0.036 0.000 0.267 135 K C -2.993 173.571 176.600 -0.061 0.000 0.943 135 K CA -2.295 53.966 56.287 -0.043 0.000 0.862 135 K CB 0.640 33.108 32.500 -0.054 0.000 1.376 135 K HN -0.042 8.196 8.250 -0.020 0.000 0.412 136 P HA 0.241 4.802 4.420 -0.070 -0.183 0.272 136 P C -0.919 176.317 177.300 -0.107 0.000 1.240 136 P CA -1.105 61.952 63.100 -0.072 0.000 0.791 136 P CB 0.746 32.413 31.700 -0.055 0.000 0.978 137 I N 0.484 120.992 120.570 -0.103 0.000 2.377 137 I HA 0.107 4.128 4.170 -0.248 0.000 0.293 137 I C -0.180 175.903 176.117 -0.056 0.000 0.987 137 I CA -3.017 58.200 61.300 -0.139 0.000 1.185 137 I CB -0.287 37.684 38.000 -0.049 0.000 1.341 137 I HN 0.301 8.361 8.210 -0.084 0.099 0.455 138 T N 4.971 119.475 114.554 -0.083 0.000 2.910 138 T HA 0.350 4.702 4.350 0.004 0.000 0.293 138 T C -0.306 174.402 174.700 0.013 0.000 1.015 138 T CA -2.717 59.369 62.100 -0.023 0.000 1.094 138 T CB 0.617 69.460 68.868 -0.041 0.000 0.968 138 T HN -0.116 8.031 8.240 -0.156 0.000 0.521 139 P HA -0.260 4.353 4.420 0.323 0.000 0.216 139 P C 1.524 178.830 177.300 0.011 0.000 1.150 139 P CA 2.699 65.903 63.100 0.175 0.000 0.843 139 P CB -0.007 31.833 31.700 0.232 0.000 0.787 140 E N -3.427 116.777 120.200 0.007 0.000 2.150 140 E HA -0.266 4.084 4.350 -0.001 0.000 0.193 140 E C 2.267 178.839 176.600 -0.047 0.000 0.985 140 E CA 3.367 59.759 56.400 -0.014 0.000 0.814 140 E CB -0.610 29.088 29.700 -0.003 0.000 0.752 140 E HN 0.455 8.808 8.360 0.020 0.019 0.466 141 T N 2.567 117.088 114.554 -0.054 0.000 2.857 141 T HA -0.281 4.081 4.350 0.021 0.000 0.266 141 T C 1.490 176.227 174.700 0.063 0.000 1.048 141 T CA 4.494 66.588 62.100 -0.011 0.000 1.139 141 T CB -0.176 68.603 68.868 -0.148 0.000 0.874 141 T HN -0.535 7.541 8.240 -0.057 0.130 0.455 142 A N 0.901 123.638 122.820 -0.138 0.000 1.897 142 A HA -0.192 4.032 4.320 -0.160 0.000 0.215 142 A C 1.546 178.765 177.584 -0.609 0.000 1.181 142 A CA 2.884 54.642 52.037 -0.465 0.000 0.620 142 A CB -1.022 17.311 19.000 -1.112 0.000 0.821 142 A HN 0.018 7.982 8.150 -0.176 0.080 0.443 143 E N -1.190 118.710 120.200 -0.500 0.000 2.033 143 E HA -0.420 3.857 4.350 -0.121 0.000 0.199 143 E C 1.949 178.477 176.600 -0.120 0.000 1.011 143 E CA 3.412 59.699 56.400 -0.189 0.000 0.815 143 E CB -0.165 29.514 29.700 -0.035 0.000 0.755 143 E HN -0.043 7.937 8.360 -0.455 0.107 0.451 144 K N -1.267 119.077 120.400 -0.093 0.000 2.052 144 K HA -0.356 3.937 4.320 -0.046 0.000 0.215 144 K C 2.607 179.140 176.600 -0.112 0.000 1.053 144 K CA 3.180 59.427 56.287 -0.068 0.000 0.934 144 K CB -0.259 32.221 32.500 -0.032 0.000 0.717 144 K HN -0.705 7.494 8.250 -0.085 0.000 0.450 145 L N -1.833 119.278 121.223 -0.188 0.000 2.042 145 L HA -0.358 3.823 4.340 -0.264 0.000 0.210 145 L C 1.893 178.637 176.870 -0.210 0.000 1.076 145 L CA 3.105 57.774 54.840 -0.286 0.000 0.749 145 L CB -0.635 41.107 42.059 -0.529 0.000 0.893 145 L HN -0.712 7.412 8.230 -0.180 -0.001 0.432 146 A N -2.854 119.868 122.820 -0.164 0.000 2.032 146 A HA -0.379 3.914 4.320 -0.044 0.000 0.221 146 A C 1.640 179.213 177.584 -0.018 0.000 1.165 146 A CA 3.085 55.091 52.037 -0.051 0.000 0.645 146 A CB -0.647 18.377 19.000 0.039 0.000 0.807 146 A HN 0.213 8.142 8.150 -0.204 0.099 0.453 147 R N -4.849 115.628 120.500 -0.039 0.000 2.206 147 R HA -0.064 4.281 4.340 0.008 0.000 0.198 147 R C 2.603 178.881 176.300 -0.036 0.000 0.986 147 R CA 1.980 58.070 56.100 -0.018 0.000 1.029 147 R CB 0.271 30.563 30.300 -0.013 0.000 0.966 147 R HN -0.335 7.725 8.270 -0.066 0.170 0.487 148 D N 1.301 121.655 120.400 -0.076 0.000 2.219 148 D HA -0.164 4.436 4.640 -0.067 0.000 0.205 148 D C 1.025 177.264 176.300 -0.101 0.000 0.970 148 D CA 2.835 56.779 54.000 -0.092 0.000 0.851 148 D CB 0.321 41.042 40.800 -0.132 0.000 0.943 148 D HN 0.267 8.360 8.370 -0.097 0.219 0.488 149 L N -3.579 117.575 121.223 -0.115 0.000 2.872 149 L HA 0.175 4.417 4.340 -0.163 0.000 0.245 149 L C -1.052 175.798 176.870 -0.032 0.000 1.211 149 L CA -1.245 53.509 54.840 -0.143 0.000 1.013 149 L CB -0.500 41.424 42.059 -0.225 0.000 1.326 149 L HN -0.106 8.032 8.230 -0.114 0.024 0.525 150 K N -6.105 114.317 120.400 0.037 0.000 3.088 150 K HA -0.483 3.887 4.320 0.084 0.000 0.273 150 K C -0.890 175.844 176.600 0.224 0.000 1.111 150 K CA 0.837 57.204 56.287 0.133 0.000 0.803 150 K CB -3.277 29.341 32.500 0.197 0.000 1.226 150 K HN -0.571 7.490 8.250 -0.002 0.187 0.485 151 A N -1.983 120.934 122.820 0.162 0.000 2.520 151 A HA -0.100 4.542 4.320 0.332 -0.123 0.245 151 A C 1.466 179.127 177.584 0.130 0.000 1.072 151 A CA -0.134 52.017 52.037 0.190 0.000 0.761 151 A CB 0.814 19.878 19.000 0.107 0.000 1.004 151 A HN -0.345 7.744 8.150 0.075 0.106 0.499 152 V N -1.861 118.122 119.914 0.115 0.000 2.380 152 V HA -0.333 3.815 4.120 0.046 0.000 0.251 152 V C 0.424 176.555 176.094 0.061 0.000 1.063 152 V CA 2.252 64.588 62.300 0.060 0.000 1.055 152 V CB 0.226 32.067 31.823 0.029 0.000 0.657 152 V HN 0.111 8.283 8.190 0.146 0.106 0.455 153 K N -4.910 115.538 120.400 0.081 0.000 2.736 153 K HA 0.095 4.475 4.320 0.100 0.000 0.290 153 K C -2.806 173.878 176.600 0.139 0.000 1.033 153 K CA -0.084 56.257 56.287 0.091 0.000 0.852 153 K CB 2.703 35.234 32.500 0.052 0.000 1.494 153 K HN -0.863 7.430 8.250 0.096 0.014 0.378 154 Y N 2.136 122.449 120.300 0.023 0.000 2.331 154 Y HA 0.526 5.265 4.550 0.036 -0.167 0.338 154 Y C -0.782 175.140 175.900 0.037 0.000 0.976 154 Y CA -1.572 56.549 58.100 0.035 0.000 1.137 154 Y CB 0.596 39.082 38.460 0.044 0.000 1.172 154 Y HN 0.066 8.473 8.280 0.212 0.000 0.478 155 V N 4.032 123.646 119.914 -0.499 0.000 2.777 155 V HA 0.465 4.244 4.120 -0.569 0.000 0.306 155 V C -1.851 173.981 176.094 -0.438 0.000 1.112 155 V CA -1.679 60.333 62.300 -0.479 0.000 0.917 155 V CB 3.579 35.276 31.823 -0.211 0.000 1.018 155 V HN 0.642 8.666 8.190 -0.277 0.000 0.426 156 E N 5.052 125.009 120.200 -0.405 0.000 2.280 156 E HA 0.569 4.953 4.350 -0.183 -0.143 0.264 156 E C -0.526 176.005 176.600 -0.114 0.000 1.064 156 E CA 0.048 56.318 56.400 -0.218 0.000 0.900 156 E CB 2.239 31.840 29.700 -0.165 0.000 1.123 156 E HN 0.225 8.332 8.360 -0.421 0.000 0.418 157 C N -4.944 114.322 119.300 -0.057 0.000 3.312 157 C HA 0.844 5.519 4.460 0.002 -0.214 0.332 157 C C -1.913 173.094 174.990 0.028 0.000 1.340 157 C CA -1.981 57.036 59.018 -0.001 0.000 1.265 157 C CB 3.865 31.620 27.740 0.025 0.000 1.563 157 C HN 0.781 8.977 8.230 -0.057 0.000 0.471 158 S N -1.111 114.625 115.700 0.061 0.000 2.911 158 S HA 0.273 4.787 4.470 0.073 0.000 0.319 158 S C -0.912 173.758 174.600 0.118 0.000 1.154 158 S CA -2.301 55.945 58.200 0.077 0.000 0.857 158 S CB 1.213 64.446 63.200 0.054 0.000 1.279 158 S HN -0.301 8.052 8.310 0.072 0.000 0.593 159 A N 0.240 123.147 122.820 0.145 0.000 1.780 159 A HA 0.237 4.650 4.320 0.155 0.000 0.208 159 A C 0.235 177.967 177.584 0.245 0.000 1.761 159 A CA 0.822 52.974 52.037 0.191 0.000 1.183 159 A CB 0.797 19.920 19.000 0.205 0.000 1.162 159 A HN 0.481 8.714 8.150 0.138 0.000 0.472 160 L N -1.156 120.226 121.223 0.265 0.000 1.990 160 L HA -0.278 4.162 4.340 0.167 0.000 0.213 160 L C 1.104 177.987 176.870 0.023 0.000 1.072 160 L CA 2.661 57.546 54.840 0.076 0.000 0.755 160 L CB -0.430 41.510 42.059 -0.199 0.000 0.889 160 L HN 0.184 8.566 8.230 0.254 0.000 0.432 161 T N -6.009 108.558 114.554 0.022 0.000 3.015 161 T HA 0.036 4.385 4.350 -0.002 0.000 0.250 161 T C -0.433 174.287 174.700 0.034 0.000 1.057 161 T CA 0.768 62.874 62.100 0.011 0.000 1.066 161 T CB 1.470 70.335 68.868 -0.005 0.000 0.959 161 T HN -0.588 7.672 8.240 0.033 0.000 0.488 162 Q N -4.043 115.792 119.800 0.059 0.000 2.493 162 Q HA -0.402 3.993 4.340 0.091 0.000 0.260 162 Q C -0.884 175.148 176.000 0.054 0.000 0.873 162 Q CA 0.251 56.095 55.803 0.069 0.000 1.150 162 Q CB -2.024 26.750 28.738 0.060 0.000 1.393 162 Q HN -0.358 7.885 8.270 0.072 0.071 0.607 163 K N 2.099 122.522 120.400 0.039 0.000 2.319 163 K HA -0.233 4.099 4.320 0.020 0.000 0.277 163 K C 0.643 177.258 176.600 0.025 0.000 1.111 163 K CA 1.339 57.640 56.287 0.024 0.000 1.093 163 K CB -0.720 31.787 32.500 0.011 0.000 0.910 163 K HN -0.103 8.140 8.250 0.038 0.030 0.452 164 G N 5.407 114.224 108.800 0.027 0.000 2.233 164 G HA2 -0.408 3.569 3.960 0.030 0.000 0.270 164 G HA3 -0.408 3.552 3.960 0.001 0.000 0.270 164 G C 0.383 175.313 174.900 0.050 0.000 1.011 164 G CA 1.034 46.149 45.100 0.025 0.000 0.762 164 G HN 0.424 8.731 8.290 0.028 0.000 0.511 165 L N 0.484 121.759 121.223 0.087 0.000 1.924 165 L HA -0.311 4.108 4.340 0.133 0.000 0.222 165 L C 1.240 178.236 176.870 0.210 0.000 1.081 165 L CA 2.724 57.652 54.840 0.146 0.000 0.780 165 L CB -0.374 41.782 42.059 0.162 0.000 0.891 165 L HN -0.335 7.781 8.230 0.077 0.160 0.434 166 K N -1.790 118.766 120.400 0.260 0.000 2.113 166 K HA -0.511 3.996 4.320 0.311 0.000 0.208 166 K C 1.803 178.543 176.600 0.232 0.000 1.047 166 K CA 3.440 59.940 56.287 0.356 0.000 0.928 166 K CB -1.103 31.623 32.500 0.377 0.000 0.716 166 K HN 0.329 8.715 8.250 0.226 0.000 0.446 167 N N -0.868 117.915 118.700 0.140 0.000 2.182 167 N HA -0.301 4.488 4.740 0.081 0.000 0.192 167 N C 2.166 177.700 175.510 0.040 0.000 1.007 167 N CA 2.828 55.923 53.050 0.076 0.000 0.873 167 N CB -0.795 37.715 38.487 0.038 0.000 0.998 167 N HN -0.104 8.343 8.380 0.129 0.011 0.436 168 V N -0.962 118.964 119.914 0.021 0.000 2.323 168 V HA -0.422 3.637 4.120 -0.102 0.000 0.244 168 V C 1.600 177.602 176.094 -0.154 0.000 1.041 168 V CA 4.511 66.750 62.300 -0.101 0.000 1.025 168 V CB -0.261 31.448 31.823 -0.190 0.000 0.656 168 V HN -0.225 7.859 8.190 0.067 0.146 0.451 169 F N -0.277 119.519 119.950 -0.256 0.000 2.269 169 F HA -0.344 4.053 4.527 -0.216 0.000 0.301 169 F C 2.048 177.807 175.800 -0.068 0.000 1.082 169 F CA 3.910 61.750 58.000 -0.266 0.000 1.360 169 F CB -1.100 37.481 39.000 -0.699 0.000 1.041 169 F HN -0.444 7.896 8.300 0.190 0.074 0.512 170 D N -2.254 118.234 120.400 0.146 0.000 2.218 170 D HA -0.265 4.453 4.640 0.129 0.000 0.204 170 D C 2.369 178.696 176.300 0.046 0.000 0.976 170 D CA 3.476 57.539 54.000 0.104 0.000 0.853 170 D CB -0.391 40.461 40.800 0.087 0.000 0.939 170 D HN 0.005 8.341 8.370 0.149 0.123 0.481 171 E N -0.424 119.782 120.200 0.010 0.000 2.122 171 E HA -0.123 4.229 4.350 0.002 0.000 0.190 171 E C 1.483 178.075 176.600 -0.013 0.000 0.977 171 E CA 2.188 58.582 56.400 -0.009 0.000 0.820 171 E CB -0.046 29.637 29.700 -0.029 0.000 0.770 171 E HN -0.404 7.798 8.360 -0.002 0.156 0.462 172 A N 0.567 123.364 122.820 -0.038 0.000 1.834 172 A HA -0.332 3.967 4.320 -0.035 0.000 0.216 172 A C 1.872 179.463 177.584 0.011 0.000 1.203 172 A CA 3.281 55.296 52.037 -0.037 0.000 0.621 172 A CB -0.594 18.343 19.000 -0.105 0.000 0.841 172 A HN -0.393 7.625 8.150 -0.064 0.093 0.446 173 I N -0.945 119.657 120.570 0.053 0.000 2.113 173 I HA -0.471 3.743 4.170 0.074 0.000 0.242 173 I C 2.077 178.218 176.117 0.041 0.000 1.064 173 I CA 4.458 65.800 61.300 0.071 0.000 1.320 173 I CB -0.268 37.798 38.000 0.110 0.000 1.028 173 I HN -0.370 7.885 8.210 0.076 0.000 0.406 174 L N -1.611 119.628 121.223 0.028 0.000 2.197 174 L HA -0.426 3.915 4.340 0.002 0.000 0.215 174 L C 0.354 177.227 176.870 0.005 0.000 1.095 174 L CA 2.892 57.737 54.840 0.009 0.000 0.764 174 L CB -0.522 41.541 42.059 0.006 0.000 0.897 174 L HN -0.678 7.574 8.230 0.036 0.000 0.436 175 A N -2.540 120.281 122.820 0.003 0.000 1.887 175 A HA -0.097 4.216 4.320 -0.011 0.000 0.212 175 A C 1.265 178.837 177.584 -0.020 0.000 1.198 175 A CA 1.470 53.500 52.037 -0.011 0.000 0.628 175 A CB 0.206 19.199 19.000 -0.012 0.000 0.847 175 A HN -0.242 7.738 8.150 0.007 0.174 0.449 176 A N -0.227 122.586 122.820 -0.011 0.000 1.948 176 A HA -0.237 4.058 4.320 -0.043 0.000 0.220 176 A C 0.746 178.331 177.584 0.003 0.000 1.177 176 A CA 2.147 54.176 52.037 -0.014 0.000 0.636 176 A CB 0.418 19.421 19.000 0.006 0.000 0.815 176 A HN 0.017 8.000 8.150 -0.000 0.167 0.449 177 L N -4.408 116.829 121.223 0.023 0.000 2.600 177 L HA -0.101 4.266 4.340 0.046 0.000 0.221 177 L C -1.255 175.625 176.870 0.017 0.000 1.197 177 L CA 0.121 54.983 54.840 0.037 0.000 0.838 177 L CB 1.052 43.145 42.059 0.057 0.000 1.474 177 L HN -0.336 7.896 8.230 0.025 0.014 0.514 178 E N -4.460 115.754 120.200 0.023 0.000 2.409 178 E HA 0.187 4.540 4.350 0.005 0.000 0.280 178 E C -2.490 174.121 176.600 0.017 0.000 1.079 178 E CA -2.236 54.171 56.400 0.012 0.000 0.840 178 E CB 0.700 30.403 29.700 0.006 0.000 1.309 178 E HN -0.315 8.068 8.360 0.039 0.000 0.447 179 P HA 0.000 4.426 4.420 0.010 0.000 0.216 179 P CA 0.000 63.107 63.100 0.012 0.000 0.800 179 P CB 0.000 31.705 31.700 0.008 0.000 0.726