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 3ho6_1_B DATA FIRST_RESID 6 DATA SEQUENCE VDFNKNTALD KNYLLNNKIP SNNXXXXXXX NYVHYIIQLQ GDDISYEATC DATA SEQUENCE NLFSKNPKNS IIIQRNMNES AKSYFLSDDG ESILELNKYR IPERLKNKEK DATA SEQUENCE VKVTFIGHXX XXXNTSEFAR LSVDSLSNEI SSFLDTIKLD ISPKNVEVNL DATA SEQUENCE LGCNMFSYDF NVEETYPGKL LLSIMDKITS TLPDVNKNSI TIGANQYEVR DATA SEQUENCE INSEGRKELL AHSGKWINKE EAIMSDLSSK EYIFFDSIDN KLKAKSKNIP DATA SEQUENCE GLASIS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 V HA 0.000 4.014 4.120 -0.177 0.000 0.244 6 V C 0.000 175.916 176.094 -0.297 0.000 1.182 6 V CA 0.000 62.145 62.300 -0.259 0.000 1.235 6 V CB 0.000 31.577 31.823 -0.411 0.000 1.184 7 D N 1.531 121.729 120.400 -0.337 0.000 2.462 7 D HA 0.373 4.928 4.640 -0.141 0.000 0.249 7 D C -0.862 175.290 176.300 -0.246 0.000 1.117 7 D CA -1.069 52.802 54.000 -0.215 0.000 0.900 7 D CB -0.143 40.583 40.800 -0.124 0.000 1.039 7 D HN -0.015 8.146 8.370 -0.348 0.000 0.516 8 F N 1.892 121.806 119.950 -0.062 0.000 2.748 8 F HA -0.099 4.451 4.527 -0.080 -0.071 0.299 8 F C 0.243 176.012 175.800 -0.052 0.000 1.154 8 F CA 0.821 58.775 58.000 -0.076 0.000 1.446 8 F CB 0.214 39.149 39.000 -0.109 0.000 1.112 8 F HN 0.361 8.670 8.300 0.014 0.000 0.584 9 N N -2.743 116.012 118.700 0.091 0.000 2.214 9 N HA 0.068 4.843 4.740 0.057 0.000 0.214 9 N C 0.270 175.781 175.510 0.002 0.000 1.132 9 N CA -0.024 53.054 53.050 0.046 0.000 0.856 9 N CB -0.157 38.351 38.487 0.035 0.000 1.020 9 N HN -0.517 8.073 8.380 0.060 -0.174 0.509 10 K N 1.650 122.037 120.400 -0.023 0.000 2.057 10 K HA -0.264 4.023 4.320 -0.055 0.000 0.207 10 K C 0.475 177.036 176.600 -0.065 0.000 1.049 10 K CA 1.715 57.968 56.287 -0.056 0.000 0.931 10 K CB 0.236 32.687 32.500 -0.082 0.000 0.714 10 K HN -0.717 7.460 8.250 -0.024 0.059 0.440 11 N N -3.144 115.526 118.700 -0.051 0.000 2.725 11 N HA -0.276 4.444 4.740 -0.033 0.000 0.251 11 N C -0.849 174.583 175.510 -0.130 0.000 1.031 11 N CA 1.069 54.085 53.050 -0.056 0.000 0.720 11 N CB -1.891 36.584 38.487 -0.021 0.000 0.930 11 N HN 0.064 8.322 8.380 -0.029 0.105 0.543 12 T N -0.136 114.272 114.554 -0.243 0.000 2.822 12 T HA -0.250 3.913 4.350 -0.312 0.000 0.288 12 T C -0.775 173.671 174.700 -0.422 0.000 0.991 12 T CA 2.040 63.889 62.100 -0.418 0.000 1.176 12 T CB 0.123 68.549 68.868 -0.736 0.000 0.951 12 T HN -0.109 7.988 8.240 -0.239 0.000 0.526 13 A N 6.920 129.589 122.820 -0.251 0.000 2.440 13 A HA -0.168 4.239 4.320 -0.063 -0.125 0.251 13 A C 0.006 177.516 177.584 -0.124 0.000 1.089 13 A CA -0.469 51.493 52.037 -0.125 0.000 0.779 13 A CB 0.944 19.912 19.000 -0.054 0.000 1.022 13 A HN -0.029 7.995 8.150 -0.210 0.000 0.492 14 L N 3.872 125.087 121.223 -0.014 0.000 2.578 14 L HA -0.305 4.258 4.340 0.371 0.000 0.279 14 L C 0.115 176.941 176.870 -0.073 0.000 1.227 14 L CA 0.760 55.609 54.840 0.014 0.000 0.900 14 L CB 0.492 42.286 42.059 -0.440 0.000 1.144 14 L HN -0.234 8.259 8.230 0.007 -0.259 0.496 15 D N 6.758 127.196 120.400 0.063 0.000 2.329 15 D HA 0.177 4.800 4.640 -0.028 0.000 0.232 15 D C -0.005 176.304 176.300 0.016 0.000 1.088 15 D CA -0.812 53.203 54.000 0.025 0.000 0.835 15 D CB 1.578 42.413 40.800 0.058 0.000 1.078 15 D HN -0.226 8.283 8.370 0.233 0.000 0.495 16 K N 4.349 124.714 120.400 -0.058 0.000 2.148 16 K HA -0.323 3.924 4.320 -0.122 0.000 0.204 16 K C 1.873 178.472 176.600 -0.002 0.000 1.050 16 K CA 3.029 59.274 56.287 -0.071 0.000 0.942 16 K CB 0.031 32.485 32.500 -0.075 0.000 0.724 16 K HN 0.520 8.729 8.250 -0.068 0.000 0.446 17 N N -0.648 118.071 118.700 0.033 0.000 2.354 17 N HA -0.157 4.602 4.740 0.032 0.000 0.179 17 N C 1.751 177.324 175.510 0.105 0.000 1.021 17 N CA 2.350 55.431 53.050 0.052 0.000 0.887 17 N CB -0.384 38.129 38.487 0.043 0.000 0.974 17 N HN -0.376 8.200 8.380 0.030 -0.179 0.437 18 Y N 2.599 122.889 120.300 -0.017 0.000 2.128 18 Y HA -0.376 4.172 4.550 -0.003 0.000 0.284 18 Y C 1.289 177.181 175.900 -0.014 0.000 1.154 18 Y CA 3.434 61.528 58.100 -0.009 0.000 1.149 18 Y CB -0.122 38.340 38.460 0.004 0.000 0.976 18 Y HN -0.580 8.078 8.280 0.238 -0.234 0.505 19 L N -2.662 118.531 121.223 -0.050 0.000 2.005 19 L HA -0.441 3.773 4.340 -0.209 0.000 0.207 19 L C 2.173 179.018 176.870 -0.042 0.000 1.072 19 L CA 3.327 58.103 54.840 -0.107 0.000 0.744 19 L CB -0.254 41.770 42.059 -0.057 0.000 0.895 19 L HN -0.756 7.492 8.230 0.030 0.000 0.433 20 L N -2.842 118.379 121.223 -0.004 0.000 2.109 20 L HA -0.282 4.069 4.340 0.019 0.000 0.207 20 L C 2.124 178.993 176.870 -0.001 0.000 1.086 20 L CA 2.990 57.836 54.840 0.009 0.000 0.760 20 L CB -0.135 41.932 42.059 0.014 0.000 0.910 20 L HN 0.094 8.325 8.230 0.002 0.000 0.437 21 N N -4.810 113.892 118.700 0.003 0.000 2.392 21 N HA 0.009 4.753 4.740 0.006 0.000 0.177 21 N C 0.254 175.763 175.510 -0.003 0.000 1.066 21 N CA 1.388 54.443 53.050 0.008 0.000 0.895 21 N CB 0.588 39.090 38.487 0.026 0.000 0.988 21 N HN 0.050 8.436 8.380 0.011 0.000 0.457 22 N N -1.999 116.682 118.700 -0.031 0.000 3.326 22 N HA 0.014 4.739 4.740 -0.026 0.000 0.234 22 N C 0.153 175.591 175.510 -0.120 0.000 1.050 22 N CA 1.458 54.474 53.050 -0.055 0.000 1.141 22 N CB 1.535 40.011 38.487 -0.019 0.000 1.551 22 N HN -0.807 7.501 8.380 -0.050 0.041 0.630 23 K N 1.074 121.330 120.400 -0.240 0.000 2.057 23 K HA -0.166 4.026 4.320 -0.213 0.000 0.206 23 K C 2.292 178.818 176.600 -0.123 0.000 1.050 23 K CA 2.078 58.219 56.287 -0.244 0.000 0.935 23 K CB -0.043 32.203 32.500 -0.423 0.000 0.715 23 K HN -0.368 7.690 8.250 -0.320 0.000 0.439 24 I N -0.012 120.509 120.570 -0.081 0.000 2.142 24 I HA -0.137 4.160 4.170 -0.048 -0.156 0.240 24 I C -0.952 175.138 176.117 -0.045 0.000 1.078 24 I CA 5.835 67.109 61.300 -0.043 0.000 1.343 24 I CB -2.261 35.736 38.000 -0.004 0.000 1.046 24 I HN 0.057 8.217 8.210 -0.083 0.000 0.405 25 P HA -0.126 4.278 4.420 -0.027 0.000 0.220 25 P C 0.612 177.892 177.300 -0.033 0.000 1.148 25 P CA 2.194 65.276 63.100 -0.030 0.000 0.803 25 P CB -0.330 31.357 31.700 -0.021 0.000 0.782 26 S N -1.546 114.128 115.700 -0.043 0.000 2.387 26 S HA -0.145 4.307 4.470 -0.030 0.000 0.226 26 S C 1.392 175.969 174.600 -0.039 0.000 1.026 26 S CA 2.881 61.057 58.200 -0.040 0.000 0.972 26 S CB 0.106 63.277 63.200 -0.047 0.000 0.814 26 S HN -0.309 7.954 8.310 -0.053 0.015 0.477 27 N N -1.184 117.487 118.700 -0.049 0.000 2.273 27 N HA 0.163 4.881 4.740 -0.037 0.000 0.192 27 N C -0.373 175.110 175.510 -0.045 0.000 1.132 27 N CA 0.075 53.098 53.050 -0.045 0.000 0.887 27 N CB 1.343 39.798 38.487 -0.053 0.000 1.048 27 N HN -0.331 8.016 8.380 -0.055 0.000 0.490 37 Y N -1.968 118.325 120.300 -0.010 0.000 2.605 37 Y HA 0.815 5.371 4.550 0.010 0.000 0.343 37 Y C -2.242 173.661 175.900 0.005 0.000 1.036 37 Y CA -2.325 55.776 58.100 0.002 0.000 1.065 37 Y CB 1.966 40.425 38.460 -0.002 0.000 1.288 37 Y HN -0.857 nan 8.280 nan 0.000 0.481 38 V N -0.089 120.004 119.914 0.299 0.000 2.481 38 V HA 0.321 4.695 4.120 0.154 -0.162 0.286 38 V C -1.921 174.319 176.094 0.244 0.000 1.042 38 V CA -2.052 60.348 62.300 0.167 0.000 0.928 38 V CB 2.086 33.888 31.823 -0.035 0.000 0.986 38 V HN 0.129 8.479 8.190 0.267 0.000 0.462 39 H N 9.517 128.633 119.070 0.076 0.000 2.638 39 H HA 0.609 5.411 4.556 0.058 -0.211 0.303 39 H C -1.220 174.127 175.328 0.031 0.000 1.034 39 H CA -3.278 52.813 56.048 0.072 0.000 1.225 39 H CB 2.348 32.194 29.762 0.140 0.000 1.394 39 H HN 0.310 8.723 8.280 0.222 0.000 0.477 40 Y N 6.517 126.957 120.300 0.234 0.000 2.404 40 Y HA -0.027 4.613 4.550 0.150 0.000 0.344 40 Y C -1.033 174.826 175.900 -0.069 0.000 0.995 40 Y CA -0.382 57.789 58.100 0.118 0.000 1.201 40 Y CB 0.121 38.695 38.460 0.191 0.000 1.151 40 Y HN 0.299 8.962 8.280 0.639 0.000 0.517 41 I N 4.052 124.642 120.570 0.033 0.000 2.330 41 I HA 0.219 4.443 4.170 -0.129 -0.131 0.286 41 I C -1.168 174.981 176.117 0.053 0.000 1.025 41 I CA -0.602 60.659 61.300 -0.065 0.000 1.197 41 I CB 0.761 38.694 38.000 -0.110 0.000 1.358 41 I HN 0.722 8.991 8.210 0.098 0.000 0.467 42 I N 7.755 128.321 120.570 -0.005 0.000 2.330 42 I HA 0.378 4.827 4.170 0.171 -0.176 0.286 42 I C -1.486 174.739 176.117 0.180 0.000 1.025 42 I CA -1.352 60.001 61.300 0.088 0.000 1.197 42 I CB 0.995 38.963 38.000 -0.052 0.000 1.358 42 I HN 0.825 8.976 8.210 -0.098 0.000 0.467 43 Q N 8.017 127.935 119.800 0.196 0.000 2.323 43 Q HA 0.036 4.500 4.340 0.207 0.000 0.257 43 Q C -0.917 175.215 176.000 0.220 0.000 1.022 43 Q CA -0.092 55.834 55.803 0.206 0.000 0.919 43 Q CB 0.709 29.564 28.738 0.194 0.000 1.220 43 Q HN 0.153 8.537 8.270 0.190 0.000 0.427 44 L N 5.469 126.827 121.223 0.226 0.000 2.249 44 L HA -0.077 4.389 4.340 0.210 0.000 0.207 44 L C 0.416 177.354 176.870 0.113 0.000 1.090 44 L CA 0.910 55.862 54.840 0.188 0.000 0.802 44 L CB 0.660 42.825 42.059 0.177 0.000 0.947 44 L HN -0.333 8.035 8.230 0.230 0.000 0.453 45 Q N -3.675 116.196 119.800 0.119 0.000 2.297 45 Q HA 0.107 4.485 4.340 0.064 0.000 0.268 45 Q C 0.182 176.287 176.000 0.174 0.000 1.045 45 Q CA -0.876 54.995 55.803 0.112 0.000 0.861 45 Q CB 1.975 30.765 28.738 0.087 0.000 1.344 45 Q HN -0.663 7.697 8.270 0.150 0.000 0.452 46 G N 1.018 109.925 108.800 0.179 0.000 3.314 46 G HA2 0.174 4.202 3.960 0.114 0.000 0.238 46 G HA3 0.174 4.466 3.960 0.099 -0.273 0.238 46 G C -1.518 173.436 174.900 0.090 0.000 1.184 46 G CA -0.517 44.659 45.100 0.126 0.000 0.806 46 G HN 0.212 8.620 8.290 0.196 0.000 0.536 47 D N -2.003 118.463 120.400 0.110 0.000 2.329 47 D HA 0.084 4.843 4.640 -0.102 -0.180 0.246 47 D C 0.355 176.687 176.300 0.052 0.000 1.111 47 D CA -1.023 52.954 54.000 -0.037 0.000 0.941 47 D CB 1.493 42.146 40.800 -0.245 0.000 1.169 47 D HN -0.756 7.676 8.370 0.202 0.059 0.441 48 D N -0.183 120.223 120.400 0.011 0.000 2.269 48 D HA -0.091 4.639 4.640 0.151 0.000 0.208 48 D C 2.129 178.511 176.300 0.137 0.000 0.963 48 D CA 3.157 57.212 54.000 0.090 0.000 0.864 48 D CB -0.165 40.651 40.800 0.026 0.000 0.936 48 D HN 0.456 8.797 8.370 -0.049 0.000 0.505 49 I N -0.514 120.115 120.570 0.099 0.000 2.252 49 I HA -0.488 3.722 4.170 0.067 0.000 0.245 49 I C 1.445 177.644 176.117 0.136 0.000 1.102 49 I CA 3.652 65.011 61.300 0.099 0.000 1.385 49 I CB -0.066 37.988 38.000 0.089 0.000 1.064 49 I HN -0.668 7.676 8.210 0.068 -0.093 0.414 50 S N 0.361 116.191 115.700 0.217 0.000 2.368 50 S HA -0.413 4.172 4.470 0.192 0.000 0.225 50 S C 1.769 176.484 174.600 0.193 0.000 1.030 50 S CA 3.394 61.727 58.200 0.222 0.000 0.999 50 S CB -0.069 63.297 63.200 0.277 0.000 0.844 50 S HN -0.514 8.219 8.310 0.254 -0.271 0.459 51 Y N 2.626 122.976 120.300 0.084 0.000 2.145 51 Y HA -0.372 4.365 4.550 0.069 -0.145 0.286 51 Y C 1.271 177.217 175.900 0.077 0.000 1.145 51 Y CA 2.822 60.962 58.100 0.066 0.000 1.148 51 Y CB -0.005 38.477 38.460 0.035 0.000 0.981 51 Y HN -0.524 7.944 8.280 0.313 0.000 0.507 52 E N -2.086 118.114 120.200 -0.000 0.000 2.110 52 E HA -0.459 3.786 4.350 -0.174 0.000 0.193 52 E C 2.355 178.915 176.600 -0.067 0.000 0.988 52 E CA 2.832 59.191 56.400 -0.069 0.000 0.804 52 E CB -0.618 29.113 29.700 0.051 0.000 0.745 52 E HN -0.250 8.200 8.360 0.150 0.000 0.458 53 A N -0.603 122.210 122.820 -0.012 0.000 1.902 53 A HA -0.291 4.027 4.320 -0.004 0.000 0.217 53 A C 1.969 179.551 177.584 -0.003 0.000 1.181 53 A CA 3.321 55.360 52.037 0.004 0.000 0.623 53 A CB -0.823 18.201 19.000 0.039 0.000 0.818 53 A HN -0.184 7.978 8.150 0.021 0.000 0.443 54 T N 1.606 116.149 114.554 -0.017 0.000 2.708 54 T HA -0.312 4.052 4.350 0.024 0.000 0.266 54 T C 1.806 176.473 174.700 -0.056 0.000 1.037 54 T CA 5.509 67.600 62.100 -0.015 0.000 1.146 54 T CB -0.383 68.487 68.868 0.002 0.000 0.865 54 T HN -0.444 7.787 8.240 -0.015 0.000 0.435 55 C N 0.804 119.992 119.300 -0.188 0.000 2.432 55 C HA -0.506 3.850 4.460 -0.173 0.000 0.277 55 C C 1.656 176.611 174.990 -0.059 0.000 1.249 55 C CA 5.022 63.928 59.018 -0.186 0.000 1.725 55 C CB -0.293 27.259 27.740 -0.312 0.000 2.028 55 C HN -0.260 7.799 8.230 -0.286 0.000 0.477 56 N N 0.011 118.672 118.700 -0.066 0.000 2.142 56 N HA -0.166 4.533 4.740 -0.068 0.000 0.186 56 N C 2.356 177.871 175.510 0.008 0.000 1.023 56 N CA 2.831 55.856 53.050 -0.041 0.000 0.852 56 N CB -0.227 38.237 38.487 -0.038 0.000 0.998 56 N HN -0.179 8.154 8.380 -0.078 0.000 0.424 57 L N 0.750 121.993 121.223 0.033 0.000 2.017 57 L HA -0.255 4.115 4.340 0.049 0.000 0.208 57 L C 2.247 179.156 176.870 0.066 0.000 1.073 57 L CA 2.855 57.728 54.840 0.054 0.000 0.745 57 L CB -0.274 41.822 42.059 0.061 0.000 0.894 57 L HN -0.263 7.982 8.230 0.025 0.000 0.432 58 F N 0.103 120.016 119.950 -0.060 0.000 2.095 58 F HA -0.418 4.084 4.527 -0.043 0.000 0.298 58 F C 1.323 177.100 175.800 -0.038 0.000 1.104 58 F CA 3.397 61.367 58.000 -0.050 0.000 1.232 58 F CB 0.125 39.091 39.000 -0.057 0.000 0.987 58 F HN -0.344 8.084 8.300 0.214 0.000 0.475 59 S N -1.865 113.886 115.700 0.085 0.000 2.474 59 S HA -0.313 4.141 4.470 -0.027 0.000 0.235 59 S C 1.950 176.485 174.600 -0.109 0.000 0.997 59 S CA 2.839 61.028 58.200 -0.019 0.000 0.949 59 S CB -0.908 62.288 63.200 -0.005 0.000 0.766 59 S HN -0.090 8.226 8.310 0.152 0.085 0.517 60 K N 1.151 121.498 120.400 -0.088 0.000 2.228 60 K HA -0.159 4.307 4.320 -0.061 -0.182 0.202 60 K C -0.235 176.307 176.600 -0.097 0.000 1.051 60 K CA 1.953 58.199 56.287 -0.068 0.000 0.960 60 K CB 0.481 32.969 32.500 -0.021 0.000 0.743 60 K HN -0.765 7.410 8.250 -0.063 0.038 0.458 61 N N -2.958 115.647 118.700 -0.159 0.000 2.711 61 N HA 0.495 5.151 4.740 -0.140 0.000 0.263 61 N C -2.026 173.285 175.510 -0.332 0.000 1.667 61 N CA -2.536 50.416 53.050 -0.163 0.000 0.785 61 N CB 0.233 38.688 38.487 -0.053 0.000 1.231 61 N HN -0.706 7.553 8.380 -0.202 0.000 0.503 62 P HA 0.032 3.616 4.420 -1.553 -0.095 0.223 62 P C 1.313 178.375 177.300 -0.396 0.000 1.151 62 P CA 1.442 64.061 63.100 -0.801 0.000 0.787 62 P CB 0.699 32.089 31.700 -0.517 0.000 0.788 63 K N -2.427 117.859 120.400 -0.191 0.000 2.155 63 K HA -0.178 4.125 4.320 -0.027 0.000 0.203 63 K C 0.543 177.114 176.600 -0.047 0.000 1.052 63 K CA 3.099 59.343 56.287 -0.072 0.000 0.948 63 K CB -0.094 32.372 32.500 -0.057 0.000 0.728 63 K HN 0.160 8.270 8.250 -0.182 0.031 0.448 64 N N -2.495 116.163 118.700 -0.071 0.000 2.234 64 N HA 0.196 4.922 4.740 -0.022 0.000 0.227 64 N C -1.563 173.960 175.510 0.022 0.000 1.151 64 N CA -0.717 52.319 53.050 -0.023 0.000 0.865 64 N CB 1.443 39.914 38.487 -0.028 0.000 1.066 64 N HN -0.587 7.730 8.380 -0.105 0.000 0.515 65 S N 0.308 115.999 115.700 -0.014 0.000 2.607 65 S HA 0.717 5.417 4.470 0.086 -0.178 0.303 65 S C -1.735 173.032 174.600 0.277 0.000 1.086 65 S CA -0.944 57.294 58.200 0.063 0.000 0.995 65 S CB 2.879 66.033 63.200 -0.076 0.000 1.084 65 S HN -0.944 7.317 8.310 -0.083 0.000 0.507 66 I N -0.110 120.607 120.570 0.245 0.000 2.545 66 I HA 0.447 5.036 4.170 0.437 -0.157 0.292 66 I C -1.523 174.767 176.117 0.288 0.000 1.040 66 I CA -2.086 59.393 61.300 0.297 0.000 1.068 66 I CB 3.099 41.160 38.000 0.102 0.000 1.251 66 I HN 0.455 8.749 8.210 0.139 0.000 0.424 67 I N 5.638 126.346 120.570 0.230 0.000 2.359 67 I HA 0.413 4.837 4.170 0.158 -0.159 0.294 67 I C -1.153 175.118 176.117 0.258 0.000 0.987 67 I CA -0.807 60.591 61.300 0.163 0.000 1.225 67 I CB 2.214 40.196 38.000 -0.030 0.000 1.366 67 I HN 0.368 8.710 8.210 0.220 0.000 0.466 68 I N 6.736 127.454 120.570 0.247 0.000 2.439 68 I HA 0.450 4.926 4.170 0.192 -0.191 0.285 68 I C -1.416 174.826 176.117 0.207 0.000 1.021 68 I CA -1.330 60.104 61.300 0.223 0.000 1.091 68 I CB 2.929 41.083 38.000 0.256 0.000 1.242 68 I HN 0.623 8.970 8.210 0.229 0.000 0.439 69 Q N 7.825 127.748 119.800 0.204 0.000 2.678 69 Q HA 0.271 4.763 4.340 0.194 -0.036 0.222 69 Q C 0.194 176.276 176.000 0.136 0.000 1.281 69 Q CA -0.410 55.506 55.803 0.189 0.000 0.994 69 Q CB -0.874 27.993 28.738 0.215 0.000 1.452 69 Q HN 0.773 9.178 8.270 0.225 0.000 0.570 70 R N 6.043 126.633 120.500 0.150 0.000 2.193 70 R HA -0.331 4.057 4.340 0.081 0.000 0.229 70 R C 1.204 177.568 176.300 0.107 0.000 1.110 70 R CA 2.467 58.645 56.100 0.130 0.000 0.988 70 R CB -0.448 29.983 30.300 0.219 0.000 0.871 70 R HN -0.114 8.267 8.270 0.185 0.000 0.458 71 N N -1.624 117.144 118.700 0.113 0.000 2.443 71 N HA -0.216 4.571 4.740 0.078 0.000 0.184 71 N C 0.584 176.132 175.510 0.063 0.000 1.037 71 N CA 2.160 55.262 53.050 0.087 0.000 0.896 71 N CB -0.837 37.709 38.487 0.099 0.000 0.959 71 N HN -0.483 7.949 8.380 0.133 0.028 0.442 72 M N -2.018 117.619 119.600 0.063 0.000 2.618 72 M HA 0.108 4.611 4.480 0.037 0.000 0.240 72 M C -0.318 175.998 176.300 0.027 0.000 1.123 72 M CA -1.026 54.300 55.300 0.043 0.000 1.060 72 M CB -0.945 31.686 32.600 0.053 0.000 1.535 72 M HN -0.509 7.778 8.290 0.075 0.049 0.507 73 N N -1.746 116.971 118.700 0.029 0.000 1.347 73 N HA -0.523 4.232 4.740 0.024 0.000 0.141 73 N C 1.596 177.108 175.510 0.002 0.000 0.677 73 N CA 3.265 56.327 53.050 0.019 0.000 1.016 73 N CB -2.418 36.081 38.487 0.019 0.000 1.268 73 N HN -0.236 8.116 8.380 0.039 0.052 0.487 74 E N 2.044 122.246 120.200 0.002 0.000 2.267 74 E HA -0.190 nan 4.350 nan 0.000 0.197 74 E C 0.533 177.125 176.600 -0.014 0.000 0.998 74 E CA 2.097 58.493 56.400 -0.006 0.000 0.830 74 E CB -0.873 28.826 29.700 -0.001 0.000 0.751 74 E HN 0.235 8.599 8.360 0.006 0.000 0.491 75 S N -1.095 114.600 115.700 -0.008 0.000 2.577 75 S HA -0.051 4.408 4.470 -0.018 0.000 0.219 75 S C 0.007 174.594 174.600 -0.021 0.000 0.962 75 S CA -0.681 57.512 58.200 -0.011 0.000 0.921 75 S CB 0.310 63.513 63.200 0.005 0.000 0.789 75 S HN -0.533 7.743 8.310 -0.001 0.034 0.497 76 A N 2.542 125.343 122.820 -0.032 0.000 2.462 76 A HA -0.094 4.216 4.320 -0.016 0.000 0.243 76 A C -1.465 176.046 177.584 -0.122 0.000 1.076 76 A CA 1.128 53.133 52.037 -0.054 0.000 0.773 76 A CB 0.945 19.905 19.000 -0.066 0.000 1.010 76 A HN -0.404 7.567 8.150 -0.029 0.162 0.493 77 K N -1.198 119.098 120.400 -0.173 0.000 2.555 77 K HA 0.091 4.377 4.320 -0.192 -0.081 0.279 77 K C -1.602 174.831 176.600 -0.278 0.000 0.986 77 K CA -1.351 54.782 56.287 -0.257 0.000 0.880 77 K CB 2.810 35.099 32.500 -0.352 0.000 1.474 77 K HN -0.405 7.759 8.250 -0.145 0.000 0.433 78 S N 1.179 116.789 115.700 -0.151 0.000 2.499 78 S HA 0.438 5.124 4.470 0.094 -0.161 0.275 78 S C -0.730 173.841 174.600 -0.050 0.000 1.257 78 S CA 0.051 58.269 58.200 0.031 0.000 1.050 78 S CB 0.798 64.133 63.200 0.225 0.000 0.937 78 S HN -0.084 8.167 8.310 -0.098 0.000 0.490 79 Y N 4.311 124.701 120.300 0.149 0.000 2.377 79 Y HA 0.890 5.572 4.550 -0.142 -0.217 0.339 79 Y C -0.410 175.563 175.900 0.122 0.000 1.011 79 Y CA -1.896 56.191 58.100 -0.021 0.000 1.093 79 Y CB 2.306 40.669 38.460 -0.162 0.000 1.201 79 Y HN 0.234 8.671 8.280 0.262 0.000 0.455 80 F N -2.830 117.234 119.950 0.191 0.000 2.741 80 F HA 0.440 5.208 4.527 0.401 0.000 0.313 80 F C -2.756 173.193 175.800 0.249 0.000 1.153 80 F CA -1.932 56.225 58.000 0.262 0.000 0.931 80 F CB 2.383 41.499 39.000 0.192 0.000 1.335 80 F HN 0.311 8.293 8.300 -0.529 0.000 0.460 81 L N 0.877 122.392 121.223 0.486 0.000 2.349 81 L HA 0.390 4.978 4.340 0.194 -0.132 0.275 81 L C 0.130 177.157 176.870 0.262 0.000 1.115 81 L CA -1.077 53.933 54.840 0.283 0.000 0.820 81 L CB 2.000 44.202 42.059 0.237 0.000 1.135 81 L HN 0.501 9.089 8.230 0.596 0.000 0.445 82 S N 5.557 121.334 115.700 0.129 0.000 2.589 82 S HA -0.059 4.525 4.470 0.189 0.000 0.265 82 S C 1.131 175.809 174.600 0.129 0.000 1.342 82 S CA 0.008 58.288 58.200 0.133 0.000 1.005 82 S CB 0.797 64.034 63.200 0.062 0.000 0.909 82 S HN 0.419 8.775 8.310 0.078 0.000 0.555 83 D N 1.286 121.756 120.400 0.117 0.000 2.149 83 D HA -0.204 4.483 4.640 0.080 0.000 0.198 83 D C 0.590 176.922 176.300 0.054 0.000 0.990 83 D CA 2.760 56.808 54.000 0.079 0.000 0.839 83 D CB -0.631 40.208 40.800 0.064 0.000 0.948 83 D HN 0.468 8.913 8.370 0.125 0.000 0.460 84 D N -5.041 115.388 120.400 0.049 0.000 2.340 84 D HA -0.076 4.581 4.640 0.028 0.000 0.220 84 D C 0.298 176.616 176.300 0.031 0.000 1.039 84 D CA -0.471 53.548 54.000 0.033 0.000 0.866 84 D CB -0.823 39.994 40.800 0.027 0.000 0.913 84 D HN -0.108 8.280 8.370 0.053 0.014 0.523 85 G N 0.234 109.059 108.800 0.041 0.000 2.189 85 G HA2 -0.448 3.541 3.960 0.050 0.000 0.267 85 G HA3 -0.448 3.528 3.960 0.028 0.000 0.267 85 G C -0.057 174.862 174.900 0.033 0.000 0.975 85 G CA 1.004 46.127 45.100 0.038 0.000 0.644 85 G HN -0.377 7.773 8.290 0.053 0.172 0.537 86 E N -1.605 118.612 120.200 0.028 0.000 2.476 86 E HA 0.125 4.487 4.350 0.019 0.000 0.199 86 E C -0.793 175.817 176.600 0.017 0.000 1.021 86 E CA -0.056 56.356 56.400 0.020 0.000 0.907 86 E CB 1.039 30.749 29.700 0.016 0.000 0.974 86 E HN -0.276 8.354 8.360 0.029 -0.253 0.489 87 S N -1.768 113.942 115.700 0.017 0.000 2.569 87 S HA 0.257 4.725 4.470 -0.003 0.000 0.280 87 S C -1.965 172.628 174.600 -0.013 0.000 1.111 87 S CA -1.576 56.623 58.200 -0.001 0.000 0.887 87 S CB 3.319 66.513 63.200 -0.010 0.000 1.095 87 S HN -0.504 7.821 8.310 0.026 0.000 0.476 88 I N 4.009 124.555 120.570 -0.040 0.000 2.307 88 I HA 0.400 4.691 4.170 -0.085 -0.172 0.289 88 I C -0.671 175.349 176.117 -0.162 0.000 1.021 88 I CA -1.523 59.724 61.300 -0.089 0.000 1.224 88 I CB -0.621 37.327 38.000 -0.087 0.000 1.376 88 I HN 0.531 8.720 8.210 -0.035 0.000 0.470 89 L N 7.456 128.440 121.223 -0.398 0.000 2.400 89 L HA 0.351 4.536 4.340 -0.259 0.000 0.264 89 L C -0.735 175.749 176.870 -0.644 0.000 1.061 89 L CA -1.418 53.121 54.840 -0.501 0.000 0.799 89 L CB 1.249 42.971 42.059 -0.561 0.000 1.240 89 L HN 0.474 8.385 8.230 -0.531 0.000 0.461 90 E N -0.697 119.299 120.200 -0.341 0.000 2.238 90 E HA 0.933 5.362 4.350 -0.258 -0.234 0.267 90 E C -0.870 175.753 176.600 0.038 0.000 0.887 90 E CA -1.406 54.876 56.400 -0.197 0.000 0.769 90 E CB 2.689 32.288 29.700 -0.167 0.000 1.187 90 E HN 0.062 8.289 8.360 -0.223 0.000 0.416 91 L N 1.067 122.388 121.223 0.162 0.000 2.277 91 L HA 0.433 4.841 4.340 0.112 0.000 0.254 91 L C -0.734 176.158 176.870 0.036 0.000 1.044 91 L CA -1.895 53.038 54.840 0.155 0.000 0.842 91 L CB 4.055 46.262 42.059 0.247 0.000 1.422 91 L HN 0.141 8.462 8.230 0.152 0.000 0.422 92 N N -0.044 118.672 118.700 0.026 0.000 2.374 92 N HA -0.148 4.568 4.740 -0.041 0.000 0.241 92 N C 0.076 175.575 175.510 -0.017 0.000 1.262 92 N CA 0.049 53.092 53.050 -0.012 0.000 0.880 92 N CB 0.237 38.724 38.487 -0.000 0.000 1.105 92 N HN 0.172 8.576 8.380 0.039 0.000 0.438 93 K N 2.409 122.755 120.400 -0.090 0.000 2.504 93 K HA -0.433 3.770 4.320 -0.195 0.000 0.278 93 K C -0.336 176.212 176.600 -0.086 0.000 1.025 93 K CA 2.273 58.436 56.287 -0.206 0.000 1.093 93 K CB -0.168 32.108 32.500 -0.374 0.000 0.873 93 K HN 0.491 8.680 8.250 -0.102 0.000 0.483 94 Y N -1.491 118.902 120.300 0.156 0.000 4.841 94 Y HA -0.391 4.365 4.550 0.343 0.000 0.242 94 Y C -1.272 174.722 175.900 0.157 0.000 1.002 94 Y CA 1.417 59.633 58.100 0.194 0.000 2.011 94 Y CB -2.646 35.855 38.460 0.067 0.000 1.554 94 Y HN -0.089 8.255 8.280 0.107 0.000 0.618 95 R N -3.284 117.355 120.500 0.231 0.000 2.500 95 R HA 0.668 5.240 4.340 0.123 -0.157 0.277 95 R C 0.099 176.434 176.300 0.058 0.000 1.026 95 R CA -2.167 54.011 56.100 0.129 0.000 1.058 95 R CB 1.868 32.210 30.300 0.070 0.000 1.078 95 R HN -0.568 7.759 8.270 0.184 0.054 0.509 96 I N -3.316 117.217 120.570 -0.061 0.000 2.892 96 I HA 0.689 4.583 4.170 -0.461 0.000 0.306 96 I C -2.568 173.311 176.117 -0.397 0.000 1.078 96 I CA -3.999 57.124 61.300 -0.296 0.000 1.032 96 I CB 2.077 39.949 38.000 -0.212 0.000 1.229 96 I HN -0.001 8.451 8.210 -0.034 -0.262 0.435 97 P HA 0.103 4.343 4.420 -0.300 0.000 0.274 97 P C 0.225 177.413 177.300 -0.187 0.000 1.237 97 P CA -0.825 62.026 63.100 -0.416 0.000 0.793 97 P CB 0.887 32.302 31.700 -0.475 0.000 0.977 98 E N 3.463 123.610 120.200 -0.089 0.000 2.114 98 E HA -0.402 3.921 4.350 -0.046 0.000 0.199 98 E C 1.784 178.357 176.600 -0.045 0.000 1.008 98 E CA 3.510 59.881 56.400 -0.047 0.000 0.810 98 E CB -0.278 29.413 29.700 -0.015 0.000 0.739 98 E HN 0.618 8.941 8.360 -0.062 0.000 0.456 99 R N -3.641 116.834 120.500 -0.042 0.000 2.241 99 R HA -0.191 4.137 4.340 -0.019 0.000 0.224 99 R C 1.026 177.301 176.300 -0.040 0.000 1.101 99 R CA 2.224 58.306 56.100 -0.029 0.000 0.995 99 R CB -0.812 29.482 30.300 -0.011 0.000 0.870 99 R HN 0.366 8.596 8.270 -0.041 0.015 0.463 100 L N -3.024 118.159 121.223 -0.067 0.000 2.640 100 L HA 0.329 4.643 4.340 -0.045 0.000 0.230 100 L C 0.299 177.146 176.870 -0.039 0.000 1.123 100 L CA -0.527 54.276 54.840 -0.062 0.000 0.900 100 L CB 0.387 42.383 42.059 -0.105 0.000 1.146 100 L HN -0.335 7.792 8.230 -0.091 0.048 0.484 101 K N -0.499 119.880 120.400 -0.035 0.000 2.486 101 K HA -0.183 4.131 4.320 -0.010 0.000 0.194 101 K C -0.159 176.439 176.600 -0.002 0.000 1.033 101 K CA 2.861 59.138 56.287 -0.016 0.000 1.004 101 K CB 0.116 32.603 32.500 -0.021 0.000 0.798 101 K HN -0.606 7.620 8.250 -0.040 0.000 0.495 102 N N -3.628 115.070 118.700 -0.004 0.000 2.204 102 N HA 0.082 4.824 4.740 0.003 0.000 0.219 102 N C -0.372 175.143 175.510 0.007 0.000 1.151 102 N CA -0.343 52.707 53.050 0.001 0.000 0.867 102 N CB 0.477 38.961 38.487 -0.004 0.000 1.043 102 N HN -0.170 8.155 8.380 -0.009 0.050 0.516 103 K N -0.168 120.242 120.400 0.016 0.000 2.414 103 K HA -0.071 4.259 4.320 0.017 0.000 0.272 103 K C 0.036 176.663 176.600 0.044 0.000 0.993 103 K CA -0.218 56.087 56.287 0.031 0.000 0.964 103 K CB 0.261 32.793 32.500 0.054 0.000 0.925 103 K HN -0.991 7.268 8.250 0.015 0.000 0.487 104 E N 0.480 120.706 120.200 0.043 0.000 2.285 104 E HA -0.180 4.189 4.350 0.030 0.000 0.194 104 E C -0.207 176.430 176.600 0.062 0.000 0.997 104 E CA 2.066 58.490 56.400 0.040 0.000 0.845 104 E CB 0.973 30.689 29.700 0.027 0.000 0.782 104 E HN 0.166 8.548 8.360 0.037 0.000 0.491 105 K N -1.599 118.864 120.400 0.105 0.000 2.422 105 K HA 0.585 5.137 4.320 0.084 -0.182 0.251 105 K C -2.464 174.233 176.600 0.162 0.000 0.933 105 K CA -1.437 54.923 56.287 0.122 0.000 0.798 105 K CB 4.037 36.630 32.500 0.156 0.000 1.238 105 K HN -0.768 7.521 8.250 0.122 0.035 0.428 106 V N 5.101 125.090 119.914 0.124 0.000 2.398 106 V HA 0.327 4.731 4.120 0.241 -0.140 0.286 106 V C -2.073 174.050 176.094 0.049 0.000 1.026 106 V CA -1.127 61.279 62.300 0.177 0.000 0.868 106 V CB 2.344 34.301 31.823 0.225 0.000 0.982 106 V HN 0.373 8.618 8.190 0.091 0.000 0.443 107 K N 8.385 128.761 120.400 -0.040 0.000 2.307 107 K HA 0.596 4.955 4.320 -0.205 -0.162 0.263 107 K C -2.373 174.269 176.600 0.070 0.000 0.973 107 K CA -1.734 54.413 56.287 -0.233 0.000 0.846 107 K CB 3.057 35.025 32.500 -0.886 0.000 1.100 107 K HN 0.417 8.682 8.250 0.024 0.000 0.438 108 V N 8.008 127.917 119.914 -0.007 0.000 2.407 108 V HA 0.694 5.026 4.120 0.058 -0.176 0.291 108 V C -2.497 173.484 176.094 -0.187 0.000 1.018 108 V CA -2.631 59.594 62.300 -0.126 0.000 0.842 108 V CB 2.848 34.318 31.823 -0.588 0.000 0.996 108 V HN 0.687 8.838 8.190 -0.065 0.000 0.426 109 T N 11.624 126.119 114.554 -0.098 0.000 2.770 109 T HA 0.497 5.030 4.350 0.022 -0.169 0.283 109 T C -1.270 173.336 174.700 -0.156 0.000 0.988 109 T CA -0.234 61.861 62.100 -0.009 0.000 0.957 109 T CB 1.086 70.096 68.868 0.236 0.000 0.930 109 T HN 0.604 8.824 8.240 -0.035 0.000 0.443 110 F N 7.839 127.855 119.950 0.110 0.000 2.405 110 F HA 0.395 5.184 4.527 0.170 -0.160 0.355 110 F C -0.947 175.053 175.800 0.332 0.000 1.121 110 F CA -0.709 57.414 58.000 0.206 0.000 1.112 110 F CB 1.386 40.538 39.000 0.253 0.000 1.126 110 F HN 0.549 9.000 8.300 0.252 0.000 0.481 111 I N 3.160 123.975 120.570 0.408 0.000 2.331 111 I HA 0.604 5.148 4.170 0.343 -0.168 0.292 111 I C -0.398 175.873 176.117 0.257 0.000 0.998 111 I CA -1.402 60.090 61.300 0.320 0.000 1.267 111 I CB -0.358 37.770 38.000 0.213 0.000 1.386 111 I HN 0.235 8.651 8.210 0.344 0.000 0.476 112 G N 6.706 115.592 108.800 0.142 0.000 2.793 112 G HA2 0.473 4.574 3.960 0.121 0.000 0.248 112 G HA3 0.473 4.150 3.960 -0.471 0.000 0.248 112 G C -1.974 172.974 174.900 0.079 0.000 1.198 112 G CA 0.330 45.394 45.100 -0.061 0.000 0.865 112 G HN -0.056 8.359 8.290 0.208 0.000 0.534 120 T N 1.840 116.348 114.554 -0.076 0.000 3.132 120 T HA 0.370 4.743 4.350 0.039 0.000 0.274 120 T C 0.042 174.819 174.700 0.129 0.000 1.011 120 T CA 0.147 62.239 62.100 -0.013 0.000 0.899 120 T CB 0.755 69.533 68.868 -0.150 0.000 1.089 120 T HN 0.212 8.404 8.240 -0.081 0.000 0.543 121 S N 1.606 117.384 115.700 0.130 0.000 2.665 121 S HA 0.213 4.782 4.470 0.166 0.000 0.240 121 S C -0.162 174.600 174.600 0.269 0.000 1.081 121 S CA 0.693 58.992 58.200 0.163 0.000 0.887 121 S CB 2.024 65.259 63.200 0.057 0.000 0.805 121 S HN -0.045 8.614 8.310 0.063 -0.311 0.486 122 E N 1.157 121.410 120.200 0.089 0.000 2.331 122 E HA 0.686 5.348 4.350 0.170 -0.210 0.275 122 E C -1.948 174.462 176.600 -0.317 0.000 0.895 122 E CA -0.792 55.598 56.400 -0.018 0.000 0.753 122 E CB 4.516 34.203 29.700 -0.021 0.000 1.216 122 E HN -0.781 7.815 8.360 0.004 -0.233 0.434 123 F N 4.070 123.687 119.950 -0.555 0.000 2.518 123 F HA 0.331 4.626 4.527 -0.387 0.000 0.323 123 F C -0.727 174.956 175.800 -0.195 0.000 1.129 123 F CA -1.451 56.270 58.000 -0.465 0.000 0.920 123 F CB 3.764 42.365 39.000 -0.665 0.000 1.160 123 F HN 0.044 8.253 8.300 -0.152 0.000 0.440 124 A N 8.036 130.370 122.820 -0.809 0.000 2.799 124 A HA -0.388 3.746 4.320 -0.505 -0.118 0.287 124 A C -1.337 176.047 177.584 -0.334 0.000 1.484 124 A CA 1.269 52.961 52.037 -0.575 0.000 0.813 124 A CB -1.496 17.148 19.000 -0.594 0.000 1.009 124 A HN 1.005 8.641 8.150 -0.855 0.000 0.545 125 R N -8.043 112.296 120.500 -0.268 0.000 3.936 125 R HA -0.382 3.859 4.340 -0.165 0.000 0.366 125 R C -1.221 175.017 176.300 -0.102 0.000 1.158 125 R CA 0.850 56.835 56.100 -0.193 0.000 0.969 125 R CB -1.943 28.198 30.300 -0.265 0.000 1.504 125 R HN 0.044 8.124 8.270 -0.266 0.030 0.538 126 L N -1.636 119.556 121.223 -0.052 0.000 2.325 126 L HA 0.331 4.675 4.340 0.006 0.000 0.278 126 L C -0.381 176.571 176.870 0.136 0.000 1.023 126 L CA -2.006 52.851 54.840 0.029 0.000 0.811 126 L CB 2.605 44.688 42.059 0.041 0.000 1.249 126 L HN -0.408 7.615 8.230 -0.069 0.165 0.431 127 S N 0.427 116.192 115.700 0.108 0.000 2.624 127 S HA 0.341 5.125 4.470 0.214 -0.186 0.263 127 S C 1.710 176.382 174.600 0.119 0.000 1.287 127 S CA -1.480 56.804 58.200 0.140 0.000 0.990 127 S CB 1.838 65.068 63.200 0.050 0.000 0.950 127 S HN -0.085 8.261 8.310 0.060 0.000 0.561 128 V N 1.041 120.938 119.914 -0.027 0.000 2.392 128 V HA -0.441 3.405 4.120 -0.455 0.000 0.249 128 V C 1.323 177.332 176.094 -0.141 0.000 1.059 128 V CA 4.513 66.646 62.300 -0.278 0.000 1.051 128 V CB -0.300 31.303 31.823 -0.367 0.000 0.658 128 V HN 0.595 8.779 8.190 -0.011 0.000 0.455 129 D N -2.406 117.949 120.400 -0.075 0.000 2.149 129 D HA -0.204 4.398 4.640 -0.064 0.000 0.201 129 D C 2.334 178.615 176.300 -0.032 0.000 0.972 129 D CA 3.347 57.316 54.000 -0.052 0.000 0.835 129 D CB -0.720 40.060 40.800 -0.034 0.000 0.966 129 D HN 0.060 8.386 8.370 -0.056 0.011 0.476 130 S N 0.792 116.484 115.700 -0.014 0.000 2.368 130 S HA -0.176 4.293 4.470 -0.002 0.000 0.224 130 S C 2.093 176.681 174.600 -0.019 0.000 1.029 130 S CA 3.262 61.460 58.200 -0.004 0.000 0.988 130 S CB -0.153 63.052 63.200 0.008 0.000 0.838 130 S HN -0.478 7.829 8.310 -0.005 0.000 0.462 131 L N 1.134 122.336 121.223 -0.035 0.000 2.109 131 L HA -0.150 4.106 4.340 -0.140 0.000 0.207 131 L C 1.176 177.972 176.870 -0.123 0.000 1.086 131 L CA 2.246 57.019 54.840 -0.112 0.000 0.760 131 L CB -0.234 41.765 42.059 -0.099 0.000 0.910 131 L HN -0.281 7.941 8.230 -0.013 0.000 0.437 132 S N -0.771 114.873 115.700 -0.093 0.000 2.382 132 S HA -0.460 3.966 4.470 -0.073 0.000 0.228 132 S C 1.909 176.495 174.600 -0.024 0.000 1.027 132 S CA 3.654 61.813 58.200 -0.068 0.000 0.991 132 S CB -0.325 62.830 63.200 -0.075 0.000 0.823 132 S HN -0.073 8.180 8.310 -0.094 0.000 0.469 133 N N 0.901 119.593 118.700 -0.013 0.000 2.120 133 N HA -0.321 4.430 4.740 0.018 0.000 0.188 133 N C 1.912 177.454 175.510 0.053 0.000 1.024 133 N CA 3.119 56.179 53.050 0.017 0.000 0.852 133 N CB 0.003 38.500 38.487 0.016 0.000 1.003 133 N HN -0.478 7.889 8.380 -0.022 0.000 0.424 134 E N 0.402 120.633 120.200 0.052 0.000 2.085 134 E HA -0.274 4.173 4.350 0.163 0.000 0.194 134 E C 2.492 179.192 176.600 0.166 0.000 0.994 134 E CA 2.537 59.011 56.400 0.123 0.000 0.801 134 E CB -0.387 29.370 29.700 0.095 0.000 0.743 134 E HN -0.526 7.845 8.360 0.019 0.000 0.453 135 I N -1.036 119.592 120.570 0.096 0.000 2.493 135 I HA -0.447 3.844 4.170 0.202 0.000 0.254 135 I C 1.985 178.195 176.117 0.156 0.000 1.160 135 I CA 3.532 64.917 61.300 0.142 0.000 1.445 135 I CB -0.304 37.736 38.000 0.067 0.000 1.086 135 I HN -0.094 8.132 8.210 0.027 0.000 0.433 136 S N 0.220 115.978 115.700 0.097 0.000 2.368 136 S HA -0.305 4.200 4.470 0.059 0.000 0.224 136 S C 1.910 176.564 174.600 0.089 0.000 1.029 136 S CA 3.497 61.740 58.200 0.072 0.000 0.988 136 S CB -0.868 62.358 63.200 0.044 0.000 0.838 136 S HN -0.333 7.906 8.310 0.075 0.117 0.462 137 S N 2.710 118.489 115.700 0.132 0.000 2.368 137 S HA -0.307 4.235 4.470 0.120 0.000 0.225 137 S C 1.783 176.493 174.600 0.183 0.000 1.030 137 S CA 3.007 61.306 58.200 0.166 0.000 0.999 137 S CB -0.308 63.028 63.200 0.226 0.000 0.844 137 S HN -0.702 7.691 8.310 0.139 0.000 0.459 138 F N 3.388 123.326 119.950 -0.021 0.000 2.069 138 F HA -0.382 3.876 4.527 -0.449 0.000 0.298 138 F C 1.187 176.857 175.800 -0.217 0.000 1.113 138 F CA 3.734 61.541 58.000 -0.322 0.000 1.214 138 F CB 0.109 38.806 39.000 -0.506 0.000 0.978 138 F HN -0.387 8.010 8.300 0.289 0.076 0.474 139 L N -2.636 118.522 121.223 -0.108 0.000 2.093 139 L HA -0.484 3.636 4.340 -0.366 0.000 0.208 139 L C 2.151 178.918 176.870 -0.172 0.000 1.085 139 L CA 3.144 57.868 54.840 -0.192 0.000 0.755 139 L CB -0.661 41.387 42.059 -0.019 0.000 0.904 139 L HN -0.101 8.186 8.230 0.095 0.000 0.435 140 D N -2.463 117.888 120.400 -0.081 0.000 2.219 140 D HA -0.194 4.417 4.640 -0.048 0.000 0.205 140 D C 1.625 177.886 176.300 -0.064 0.000 0.970 140 D CA 3.557 57.528 54.000 -0.048 0.000 0.851 140 D CB -0.340 40.459 40.800 -0.000 0.000 0.943 140 D HN -0.307 8.027 8.370 -0.038 0.013 0.488 141 T N 0.631 115.130 114.554 -0.092 0.000 2.939 141 T HA -0.107 4.229 4.350 -0.023 0.000 0.254 141 T C 2.217 176.832 174.700 -0.142 0.000 1.041 141 T CA 3.717 65.781 62.100 -0.060 0.000 1.142 141 T CB 0.536 69.441 68.868 0.063 0.000 0.874 141 T HN -0.751 7.286 8.240 -0.119 0.131 0.452 142 I N -0.771 119.593 120.570 -0.344 0.000 2.676 142 I HA -0.098 3.951 4.170 -0.202 0.000 0.259 142 I C 0.948 176.959 176.117 -0.177 0.000 1.194 142 I CA 2.938 64.040 61.300 -0.331 0.000 1.473 142 I CB -0.312 37.278 38.000 -0.683 0.000 1.096 142 I HN -0.112 7.793 8.210 -0.508 0.000 0.443 143 K N -0.280 120.024 120.400 -0.159 0.000 2.280 143 K HA -0.127 4.311 4.320 -0.083 -0.167 0.202 143 K C 0.998 177.565 176.600 -0.055 0.000 1.047 143 K CA 2.269 58.502 56.287 -0.090 0.000 0.942 143 K CB -0.510 31.946 32.500 -0.074 0.000 0.739 143 K HN -0.446 7.671 8.250 -0.185 0.022 0.457 144 L N -2.911 118.281 121.223 -0.052 0.000 2.376 144 L HA -0.180 4.146 4.340 -0.024 0.000 0.219 144 L C 0.891 177.748 176.870 -0.020 0.000 1.133 144 L CA 1.497 56.321 54.840 -0.028 0.000 0.816 144 L CB -0.008 42.040 42.059 -0.019 0.000 0.933 144 L HN -0.611 7.542 8.230 -0.064 0.039 0.449 145 D N -3.857 116.529 120.400 -0.023 0.000 2.482 145 D HA 0.158 4.791 4.640 -0.012 0.000 0.251 145 D C -0.526 175.770 176.300 -0.007 0.000 1.073 145 D CA 0.976 54.969 54.000 -0.011 0.000 0.892 145 D CB 3.791 44.593 40.800 0.002 0.000 1.202 145 D HN -0.383 7.796 8.370 -0.035 0.169 0.496 146 I N -1.139 119.425 120.570 -0.010 0.000 2.752 146 I HA 0.146 4.319 4.170 0.004 0.000 0.295 146 I C -2.691 173.420 176.117 -0.009 0.000 1.219 146 I CA -0.725 60.577 61.300 0.003 0.000 1.030 146 I CB 3.481 41.503 38.000 0.037 0.000 1.259 146 I HN -0.411 7.785 8.210 -0.024 0.000 0.423 147 S N 6.949 122.649 115.700 -0.001 0.000 2.259 147 S HA 0.448 4.911 4.470 -0.011 0.000 0.181 147 S C -2.101 172.502 174.600 0.006 0.000 1.589 147 S CA -3.822 54.375 58.200 -0.004 0.000 1.234 147 S CB -0.101 63.095 63.200 -0.007 0.000 1.119 147 S HN 0.539 8.851 8.310 0.004 0.000 0.458 148 P HA 0.336 4.773 4.420 0.028 0.000 0.279 148 P C -1.279 176.031 177.300 0.016 0.000 1.276 148 P CA -0.637 62.478 63.100 0.025 0.000 0.801 148 P CB 1.458 33.185 31.700 0.045 0.000 1.127 149 K N -5.469 114.941 120.400 0.017 0.000 2.354 149 K HA 0.205 4.709 4.320 0.004 -0.182 0.194 149 K C 0.153 176.756 176.600 0.005 0.000 1.038 149 K CA 0.123 56.415 56.287 0.008 0.000 1.052 149 K CB 1.779 34.282 32.500 0.005 0.000 0.861 149 K HN 0.147 8.410 8.250 0.023 0.000 0.535 150 N N -1.260 117.448 118.700 0.013 0.000 2.264 150 N HA 0.512 5.409 4.740 -0.008 -0.162 0.288 150 N C -2.575 172.943 175.510 0.013 0.000 1.094 150 N CA -0.149 52.902 53.050 0.003 0.000 0.817 150 N CB 4.920 43.404 38.487 -0.004 0.000 1.604 150 N HN -0.758 7.636 8.380 0.025 0.000 0.473 151 V N 1.518 121.432 119.914 0.001 0.000 2.577 151 V HA 0.564 4.895 4.120 0.023 -0.197 0.303 151 V C -2.389 173.696 176.094 -0.015 0.000 1.042 151 V CA -1.477 60.830 62.300 0.011 0.000 0.872 151 V CB 3.700 35.541 31.823 0.030 0.000 0.998 151 V HN 0.537 8.721 8.190 -0.010 0.000 0.423 152 E N 7.332 127.513 120.200 -0.033 0.000 2.199 152 E HA 0.653 5.182 4.350 -0.020 -0.191 0.265 152 E C -1.845 174.740 176.600 -0.026 0.000 0.882 152 E CA -2.311 54.067 56.400 -0.037 0.000 0.759 152 E CB 3.894 33.550 29.700 -0.074 0.000 1.148 152 E HN 0.322 8.657 8.360 -0.041 0.000 0.412 153 V N 6.693 126.611 119.914 0.007 0.000 2.350 153 V HA 0.425 4.692 4.120 -0.005 -0.151 0.276 153 V C -1.389 174.731 176.094 0.042 0.000 1.028 153 V CA -1.891 60.425 62.300 0.027 0.000 0.860 153 V CB -0.019 31.844 31.823 0.066 0.000 0.990 153 V HN 0.189 8.391 8.190 0.020 0.000 0.453 154 N N 7.744 126.470 118.700 0.044 0.000 2.392 154 N HA 0.374 5.274 4.740 0.024 -0.146 0.283 154 N C -1.756 173.784 175.510 0.049 0.000 1.003 154 N CA -1.189 51.885 53.050 0.040 0.000 0.892 154 N CB 3.161 41.671 38.487 0.039 0.000 1.193 154 N HN 0.786 9.183 8.380 0.029 0.000 0.487 155 L N 5.157 126.334 121.223 -0.077 0.000 2.272 155 L HA 0.239 4.390 4.340 -0.315 0.000 0.284 155 L C -1.327 175.513 176.870 -0.050 0.000 1.045 155 L CA -0.648 53.990 54.840 -0.335 0.000 0.842 155 L CB 0.225 41.807 42.059 -0.794 0.000 1.224 155 L HN 0.444 8.624 8.230 -0.083 0.000 0.430 156 L N 6.034 127.395 121.223 0.230 0.000 2.272 156 L HA 0.447 4.911 4.340 0.206 0.000 0.284 156 L C -1.420 175.696 176.870 0.411 0.000 1.045 156 L CA -1.073 53.931 54.840 0.275 0.000 0.842 156 L CB 1.195 43.392 42.059 0.231 0.000 1.224 156 L HN -0.015 8.416 8.230 0.335 0.000 0.430 157 G N 4.336 113.357 108.800 0.367 0.000 4.357 157 G HA2 -0.061 4.256 3.960 0.232 0.000 0.234 157 G HA3 -0.061 4.028 3.960 0.215 0.000 0.234 157 G C -1.427 173.617 174.900 0.240 0.000 3.600 157 G CA 0.040 45.296 45.100 0.260 0.000 0.615 157 G HN 0.170 8.670 8.290 0.350 0.000 0.209 158 C N -1.393 118.069 119.300 0.270 0.000 2.757 158 C HA 0.026 4.593 4.460 0.180 0.000 0.303 158 C C 0.280 175.365 174.990 0.158 0.000 1.745 158 C CA -2.115 57.020 59.018 0.194 0.000 2.052 158 C CB 1.561 29.403 27.740 0.169 0.000 1.970 158 C HN -0.162 8.294 8.230 0.376 0.000 0.586 159 N N 2.359 121.129 118.700 0.117 0.000 2.892 159 N HA -0.108 4.677 4.740 0.074 0.000 0.300 159 N C -0.438 175.107 175.510 0.057 0.000 1.211 159 N CA 0.525 53.620 53.050 0.075 0.000 1.158 159 N CB -1.795 36.722 38.487 0.050 0.000 1.455 159 N HN 0.396 8.842 8.380 0.110 0.000 0.524 160 M N -1.512 118.138 119.600 0.083 0.000 2.509 160 M HA 0.108 4.604 4.480 0.027 0.000 0.250 160 M C -1.182 175.185 176.300 0.112 0.000 1.132 160 M CA -1.315 54.023 55.300 0.063 0.000 1.080 160 M CB 0.006 32.624 32.600 0.031 0.000 1.408 160 M HN -0.552 7.767 8.290 0.103 0.033 0.484 161 F N -1.235 118.669 119.950 -0.077 0.000 2.588 161 F HA 0.237 4.697 4.527 -0.112 0.000 0.310 161 F C -2.592 173.137 175.800 -0.119 0.000 1.082 161 F CA -0.865 57.063 58.000 -0.119 0.000 0.929 161 F CB 3.347 42.247 39.000 -0.166 0.000 1.254 161 F HN -0.821 7.519 8.300 0.135 0.041 0.455 162 S N 3.866 118.868 115.700 -1.163 0.000 2.546 162 S HA 0.108 4.269 4.470 -0.515 0.000 0.272 162 S C -0.107 173.893 174.600 -1.000 0.000 1.140 162 S CA -1.958 55.815 58.200 -0.713 0.000 0.920 162 S CB 1.459 64.627 63.200 -0.054 0.000 1.083 162 S HN -0.050 7.293 8.310 -1.611 0.000 0.476 163 Y N 4.058 124.099 120.300 -0.432 0.000 2.578 163 Y HA -0.117 4.309 4.550 -0.207 0.000 0.297 163 Y C 0.315 176.113 175.900 -0.170 0.000 1.176 163 Y CA 1.253 59.232 58.100 -0.201 0.000 1.315 163 Y CB -0.186 38.266 38.460 -0.014 0.000 1.031 163 Y HN 0.624 8.794 8.280 -0.183 0.000 0.524 164 D N -1.627 118.698 120.400 -0.126 0.000 2.349 164 D HA -0.058 4.441 4.640 -0.235 0.000 0.224 164 D C -0.285 175.653 176.300 -0.603 0.000 1.029 164 D CA 1.639 55.428 54.000 -0.352 0.000 0.879 164 D CB 0.227 40.726 40.800 -0.502 0.000 0.906 164 D HN -0.448 7.784 8.370 -0.126 0.063 0.528 165 F N -1.956 117.908 119.950 -0.144 0.000 2.598 165 F HA 0.169 4.651 4.527 -0.075 0.000 0.327 165 F C -1.192 174.564 175.800 -0.074 0.000 1.057 165 F CA -1.665 56.268 58.000 -0.112 0.000 0.957 165 F CB 3.173 42.085 39.000 -0.146 0.000 1.278 165 F HN -0.982 7.242 8.300 -0.011 0.069 0.484 166 N N 2.482 121.277 118.700 0.159 0.000 2.454 166 N HA -0.112 4.678 4.740 0.083 0.000 0.260 166 N C 1.204 176.778 175.510 0.107 0.000 1.218 166 N CA 0.278 53.389 53.050 0.101 0.000 0.904 166 N CB 0.579 39.110 38.487 0.073 0.000 1.065 166 N HN 0.158 8.645 8.380 0.178 0.000 0.462 167 V N 2.412 122.391 119.914 0.108 0.000 2.380 167 V HA -0.435 3.817 4.120 0.220 0.000 0.251 167 V C 1.270 177.417 176.094 0.089 0.000 1.063 167 V CA 3.225 65.611 62.300 0.143 0.000 1.055 167 V CB -0.462 31.427 31.823 0.111 0.000 0.657 167 V HN 0.492 8.741 8.190 0.099 0.000 0.455 168 E N -3.323 116.907 120.200 0.051 0.000 2.338 168 E HA -0.291 4.074 4.350 0.026 0.000 0.197 168 E C 0.149 176.761 176.600 0.020 0.000 1.007 168 E CA 2.150 58.567 56.400 0.030 0.000 0.849 168 E CB -1.571 28.143 29.700 0.023 0.000 0.774 168 E HN 0.444 8.816 8.360 0.046 0.015 0.506 169 E N -2.927 117.291 120.200 0.029 0.000 2.474 169 E HA 0.098 4.444 4.350 -0.006 0.000 0.194 169 E C -0.242 176.331 176.600 -0.045 0.000 1.041 169 E CA -0.185 56.216 56.400 0.001 0.000 0.874 169 E CB 0.681 30.400 29.700 0.031 0.000 0.914 169 E HN -0.355 7.882 8.360 0.049 0.152 0.498 170 T N -3.055 111.490 114.554 -0.014 0.000 2.874 170 T HA 0.134 4.422 4.350 -0.103 0.000 0.281 170 T C -0.117 174.615 174.700 0.052 0.000 0.994 170 T CA -1.317 60.776 62.100 -0.012 0.000 1.015 170 T CB 2.515 71.435 68.868 0.087 0.000 1.028 170 T HN -0.673 7.475 8.240 0.028 0.109 0.523 171 Y N 4.076 124.351 120.300 -0.042 0.000 2.145 171 Y HA -0.141 4.387 4.550 -0.038 0.000 0.286 171 Y C -0.915 174.969 175.900 -0.027 0.000 1.145 171 Y CA 5.757 63.837 58.100 -0.033 0.000 1.148 171 Y CB -1.947 36.497 38.460 -0.026 0.000 0.981 171 Y HN 0.796 9.188 8.280 0.187 0.000 0.507 172 P HA -0.359 4.092 4.420 0.053 0.000 0.215 172 P C 1.449 178.746 177.300 -0.006 0.000 1.153 172 P CA 2.627 65.766 63.100 0.066 0.000 0.853 172 P CB -0.787 30.949 31.700 0.060 0.000 0.788 173 G N -2.171 106.645 108.800 0.026 0.000 2.421 173 G HA2 -0.338 3.627 3.960 0.007 0.000 0.216 173 G HA3 -0.338 3.835 3.960 0.030 -0.195 0.216 173 G C 1.200 176.078 174.900 -0.036 0.000 1.171 173 G CA 1.849 46.953 45.100 0.008 0.000 0.775 173 G HN -0.461 7.874 8.290 0.075 0.000 0.543 174 K N 1.974 122.327 120.400 -0.078 0.000 2.063 174 K HA -0.367 3.903 4.320 -0.082 0.000 0.208 174 K C 2.267 178.765 176.600 -0.170 0.000 1.048 174 K CA 3.069 59.281 56.287 -0.124 0.000 0.928 174 K CB -0.176 32.226 32.500 -0.163 0.000 0.713 174 K HN -0.521 7.686 8.250 -0.073 0.000 0.442 175 L N -0.103 120.974 121.223 -0.243 0.000 2.017 175 L HA -0.291 3.893 4.340 -0.261 0.000 0.208 175 L C 1.405 178.204 176.870 -0.118 0.000 1.073 175 L CA 3.001 57.701 54.840 -0.233 0.000 0.745 175 L CB -0.174 41.724 42.059 -0.268 0.000 0.894 175 L HN -0.158 7.907 8.230 -0.274 0.000 0.432 176 L N -1.416 119.763 121.223 -0.072 0.000 2.046 176 L HA -0.363 3.959 4.340 -0.029 0.000 0.208 176 L C 1.780 178.625 176.870 -0.042 0.000 1.077 176 L CA 3.098 57.919 54.840 -0.031 0.000 0.747 176 L CB -0.458 41.609 42.059 0.013 0.000 0.896 176 L HN -0.507 7.683 8.230 -0.068 0.000 0.432 177 L N -4.174 117.025 121.223 -0.039 0.000 2.079 177 L HA -0.316 3.995 4.340 -0.050 0.000 0.210 177 L C 2.350 179.180 176.870 -0.067 0.000 1.081 177 L CA 2.775 57.588 54.840 -0.045 0.000 0.752 177 L CB -0.754 41.290 42.059 -0.025 0.000 0.896 177 L HN -0.550 7.658 8.230 -0.036 0.000 0.433 178 S N -1.896 113.759 115.700 -0.075 0.000 2.436 178 S HA -0.127 4.303 4.470 -0.067 0.000 0.228 178 S C 1.556 176.117 174.600 -0.064 0.000 1.014 178 S CA 2.592 60.747 58.200 -0.075 0.000 0.950 178 S CB 0.420 63.561 63.200 -0.098 0.000 0.784 178 S HN -0.470 7.674 8.310 -0.085 0.115 0.504 179 I N -5.456 115.077 120.570 -0.062 0.000 4.181 179 I HA 0.208 4.356 4.170 -0.037 0.000 0.331 179 I C 0.544 176.634 176.117 -0.046 0.000 1.312 179 I CA 0.524 61.798 61.300 -0.043 0.000 1.146 179 I CB 0.175 38.158 38.000 -0.028 0.000 1.074 179 I HN -0.671 7.398 8.210 -0.065 0.102 0.402 180 M N 2.457 122.016 119.600 -0.069 0.000 2.110 180 M HA -0.587 3.847 4.480 -0.076 0.000 0.257 180 M C 1.162 177.407 176.300 -0.091 0.000 1.071 180 M CA 5.212 60.455 55.300 -0.095 0.000 1.096 180 M CB -0.058 32.441 32.600 -0.168 0.000 1.300 180 M HN -0.135 8.110 8.290 -0.074 0.000 0.411 181 D N -4.020 116.324 120.400 -0.094 0.000 2.224 181 D HA -0.153 4.434 4.640 -0.088 0.000 0.205 181 D C 2.378 178.647 176.300 -0.051 0.000 0.965 181 D CA 2.596 56.549 54.000 -0.080 0.000 0.852 181 D CB -0.486 40.266 40.800 -0.079 0.000 0.947 181 D HN 0.222 8.534 8.370 -0.095 0.000 0.494 182 K N 0.734 121.110 120.400 -0.040 0.000 2.097 182 K HA -0.174 4.132 4.320 -0.024 0.000 0.205 182 K C 1.960 178.548 176.600 -0.020 0.000 1.050 182 K CA 1.910 58.183 56.287 -0.024 0.000 0.938 182 K CB -0.487 32.005 32.500 -0.014 0.000 0.718 182 K HN -0.850 7.374 8.250 -0.043 0.000 0.442 183 I N -1.493 119.065 120.570 -0.019 0.000 2.202 183 I HA -0.497 3.671 4.170 -0.004 0.000 0.242 183 I C 1.461 177.566 176.117 -0.021 0.000 1.091 183 I CA 4.549 65.842 61.300 -0.012 0.000 1.368 183 I CB -0.167 37.830 38.000 -0.004 0.000 1.058 183 I HN -0.128 8.067 8.210 -0.024 0.000 0.410 184 T N -1.822 112.713 114.554 -0.032 0.000 2.995 184 T HA -0.175 4.159 4.350 -0.025 0.000 0.269 184 T C 1.735 176.419 174.700 -0.028 0.000 1.091 184 T CA 3.509 65.591 62.100 -0.032 0.000 1.128 184 T CB -0.230 68.611 68.868 -0.044 0.000 0.891 184 T HN -0.333 7.883 8.240 -0.040 0.000 0.492 185 S N 1.326 117.009 115.700 -0.029 0.000 2.458 185 S HA 0.034 4.489 4.470 -0.024 0.000 0.223 185 S C 1.474 176.061 174.600 -0.022 0.000 1.019 185 S CA 2.672 60.857 58.200 -0.025 0.000 0.937 185 S CB -0.278 62.907 63.200 -0.025 0.000 0.788 185 S HN -0.432 7.830 8.310 -0.031 0.030 0.511 186 T N 2.588 117.128 114.554 -0.024 0.000 2.939 186 T HA -0.058 4.276 4.350 -0.026 0.000 0.254 186 T C 0.040 174.721 174.700 -0.030 0.000 1.041 186 T CA 2.798 64.881 62.100 -0.028 0.000 1.142 186 T CB 0.993 69.842 68.868 -0.032 0.000 0.874 186 T HN -0.561 7.665 8.240 -0.024 0.000 0.452 187 L N 1.486 122.692 121.223 -0.027 0.000 2.371 187 L HA 0.632 4.956 4.340 -0.026 0.000 0.262 187 L C -1.947 174.913 176.870 -0.017 0.000 1.054 187 L CA -2.686 52.140 54.840 -0.024 0.000 0.924 187 L CB -0.419 41.627 42.059 -0.022 0.000 1.295 187 L HN -0.200 8.015 8.230 -0.025 0.000 0.441 188 P HA 0.079 4.643 4.420 -0.015 -0.153 0.230 188 P C -0.134 177.160 177.300 -0.010 0.000 1.158 188 P CA 0.844 63.936 63.100 -0.014 0.000 0.769 188 P CB 0.076 31.768 31.700 -0.013 0.000 0.807 189 D N -3.465 116.930 120.400 -0.008 0.000 2.349 189 D HA 0.165 4.802 4.640 -0.005 0.000 0.214 189 D C -0.535 175.762 176.300 -0.004 0.000 1.063 189 D CA 0.310 54.307 54.000 -0.005 0.000 0.847 189 D CB 0.520 41.318 40.800 -0.003 0.000 0.933 189 D HN 0.347 8.662 8.370 -0.009 0.050 0.513 190 V N 2.451 122.362 119.914 -0.006 0.000 2.364 190 V HA 0.078 4.368 4.120 -0.003 -0.172 0.272 190 V C -1.185 174.904 176.094 -0.007 0.000 1.036 190 V CA -1.561 60.736 62.300 -0.005 0.000 0.880 190 V CB -0.781 31.039 31.823 -0.004 0.000 0.991 190 V HN -0.646 7.489 8.190 -0.008 0.051 0.460 191 N N 8.258 126.955 118.700 -0.004 0.000 2.491 191 N HA 0.089 4.827 4.740 -0.003 0.000 0.279 191 N C 0.850 176.364 175.510 0.008 0.000 1.236 191 N CA -1.042 52.008 53.050 0.000 0.000 0.982 191 N CB 1.106 39.595 38.487 0.004 0.000 1.194 191 N HN 0.110 8.488 8.380 -0.004 0.000 0.582 192 K N -2.774 117.639 120.400 0.021 0.000 2.211 192 K HA -0.285 4.047 4.320 0.020 0.000 0.203 192 K C 1.473 178.128 176.600 0.092 0.000 1.050 192 K CA 3.280 59.596 56.287 0.050 0.000 0.945 192 K CB -0.267 32.282 32.500 0.081 0.000 0.732 192 K HN 0.302 8.566 8.250 0.023 0.000 0.451 193 N N -2.827 115.908 118.700 0.059 0.000 2.398 193 N HA -0.006 4.772 4.740 0.063 0.000 0.188 193 N C 0.332 175.831 175.510 -0.019 0.000 1.122 193 N CA 1.109 54.178 53.050 0.032 0.000 0.866 193 N CB 0.623 39.115 38.487 0.009 0.000 0.970 193 N HN -0.362 8.196 8.380 0.043 -0.152 0.462 194 S N -1.047 114.647 115.700 -0.011 0.000 2.741 194 S HA 0.234 4.666 4.470 -0.063 0.000 0.247 194 S C -2.069 172.513 174.600 -0.029 0.000 1.050 194 S CA -0.118 58.061 58.200 -0.035 0.000 1.025 194 S CB 0.750 63.936 63.200 -0.024 0.000 0.897 194 S HN -0.506 7.769 8.310 0.007 0.039 0.508 195 I N 0.871 121.436 120.570 -0.008 0.000 2.498 195 I HA 0.724 5.108 4.170 -0.007 -0.218 0.290 195 I C -1.495 174.637 176.117 0.025 0.000 1.032 195 I CA -1.025 60.278 61.300 0.006 0.000 1.073 195 I CB 3.541 41.554 38.000 0.022 0.000 1.251 195 I HN -0.773 7.443 8.210 0.009 0.000 0.426 196 T N 2.685 117.244 114.554 0.007 0.000 2.900 196 T HA 0.600 5.150 4.350 0.112 -0.133 0.303 196 T C -1.362 173.376 174.700 0.064 0.000 1.142 196 T CA -2.101 60.027 62.100 0.047 0.000 1.007 196 T CB 3.262 72.093 68.868 -0.063 0.000 1.156 196 T HN 0.082 8.318 8.240 -0.007 0.000 0.490 197 I N 1.081 121.705 120.570 0.091 0.000 2.359 197 I HA 0.624 5.029 4.170 0.049 -0.206 0.294 197 I C -0.098 176.073 176.117 0.090 0.000 0.987 197 I CA -2.655 58.681 61.300 0.060 0.000 1.225 197 I CB 1.190 39.202 38.000 0.018 0.000 1.366 197 I HN 0.414 8.691 8.210 0.111 0.000 0.466 198 G N 4.471 113.314 108.800 0.071 0.000 2.332 198 G HA2 0.565 4.738 3.960 0.066 0.000 0.310 198 G HA3 0.565 4.671 3.960 0.057 -0.112 0.310 198 G C -2.678 172.197 174.900 -0.042 0.000 1.123 198 G CA -1.482 43.645 45.100 0.044 0.000 0.873 198 G HN 0.670 8.883 8.290 0.054 0.110 0.460 199 A N 3.741 126.500 122.820 -0.102 0.000 2.566 199 A HA 0.655 4.946 4.320 -0.047 0.000 0.292 199 A C -2.557 175.003 177.584 -0.041 0.000 1.112 199 A CA -1.186 50.805 52.037 -0.077 0.000 0.707 199 A CB 3.992 22.940 19.000 -0.086 0.000 1.302 199 A HN 0.307 8.368 8.150 -0.148 0.000 0.409 200 N N -0.835 117.896 118.700 0.051 0.000 2.314 200 N HA 0.342 5.138 4.740 0.092 0.000 0.304 200 N C 0.544 176.118 175.510 0.106 0.000 1.073 200 N CA -0.457 52.656 53.050 0.104 0.000 0.822 200 N CB 3.101 41.685 38.487 0.161 0.000 1.280 200 N HN 0.454 8.874 8.380 0.067 0.000 0.489 201 Q N 0.340 120.153 119.800 0.022 0.000 2.435 201 Q HA -0.041 4.489 4.340 -0.081 -0.238 0.207 201 Q C -0.541 175.236 176.000 -0.371 0.000 0.956 201 Q CA 1.783 57.454 55.803 -0.219 0.000 0.917 201 Q CB 0.839 29.279 28.738 -0.497 0.000 0.997 201 Q HN 0.607 8.906 8.270 0.048 0.000 0.497 202 Y N -2.899 117.466 120.300 0.108 0.000 2.562 202 Y HA 0.310 5.024 4.550 0.114 -0.096 0.343 202 Y C 0.680 176.632 175.900 0.087 0.000 1.025 202 Y CA -1.818 56.337 58.100 0.091 0.000 1.082 202 Y CB 1.603 40.095 38.460 0.053 0.000 1.264 202 Y HN -0.780 7.537 8.280 0.163 0.062 0.478 203 E N 3.212 123.545 120.200 0.221 0.000 2.413 203 E HA -0.004 4.471 4.350 0.208 0.000 0.263 203 E C -1.520 175.255 176.600 0.292 0.000 1.015 203 E CA 0.042 56.564 56.400 0.204 0.000 0.916 203 E CB 0.522 30.316 29.700 0.156 0.000 0.947 203 E HN 0.172 nan 8.360 nan 0.000 0.440 204 V N 3.191 123.319 119.914 0.356 0.000 2.876 204 V HA 0.719 5.337 4.120 0.507 -0.193 0.312 204 V C -1.313 174.974 176.094 0.323 0.000 1.085 204 V CA -1.715 60.821 62.300 0.393 0.000 0.945 204 V CB 3.106 35.083 31.823 0.257 0.000 1.017 204 V HN -0.156 8.214 8.190 0.300 0.000 0.428 205 R N 1.390 122.033 120.500 0.239 0.000 2.836 205 R HA 0.353 4.702 4.340 0.015 0.000 0.269 205 R C -2.332 173.970 176.300 0.003 0.000 1.010 205 R CA -2.716 53.383 56.100 -0.001 0.000 0.930 205 R CB 3.060 33.165 30.300 -0.324 0.000 1.218 205 R HN 0.436 8.888 8.270 0.303 0.000 0.473 206 I N 0.148 120.703 120.570 -0.024 0.000 2.321 206 I HA 0.356 4.679 4.170 0.015 -0.144 0.291 206 I C 0.021 176.105 176.117 -0.054 0.000 0.998 206 I CA -2.374 58.921 61.300 -0.008 0.000 1.227 206 I CB -0.774 37.236 38.000 0.016 0.000 1.368 206 I HN 0.290 8.477 8.210 -0.037 0.000 0.466 207 N N 8.192 126.863 118.700 -0.048 0.000 2.327 207 N HA -0.003 4.676 4.740 -0.102 0.000 0.257 207 N C 0.845 176.328 175.510 -0.044 0.000 1.281 207 N CA -0.664 52.346 53.050 -0.067 0.000 0.942 207 N CB 0.665 39.118 38.487 -0.057 0.000 1.199 207 N HN 0.410 8.775 8.380 -0.025 0.000 0.532 208 S N -3.274 112.400 115.700 -0.043 0.000 2.507 208 S HA -0.174 4.279 4.470 -0.028 0.000 0.235 208 S C 0.984 175.565 174.600 -0.031 0.000 0.988 208 S CA 2.672 60.854 58.200 -0.030 0.000 0.944 208 S CB -0.793 62.395 63.200 -0.021 0.000 0.762 208 S HN 0.443 8.724 8.310 -0.049 0.000 0.526 209 E N -0.333 119.851 120.200 -0.026 0.000 2.479 209 E HA 0.082 4.638 4.350 -0.029 -0.224 0.193 209 E C 0.280 176.869 176.600 -0.018 0.000 1.049 209 E CA -0.769 55.617 56.400 -0.023 0.000 0.870 209 E CB -0.139 29.552 29.700 -0.015 0.000 0.944 209 E HN -0.700 7.825 8.360 -0.024 -0.180 0.492 210 G N -1.929 106.863 108.800 -0.013 0.000 2.157 210 G HA2 -0.420 3.543 3.960 0.004 0.000 0.248 210 G HA3 -0.420 3.634 3.960 0.001 -0.093 0.248 210 G C -0.599 174.315 174.900 0.023 0.000 0.979 210 G CA 0.108 45.209 45.100 0.003 0.000 0.650 210 G HN -0.110 8.062 8.290 -0.017 0.108 0.529 211 R N -0.292 120.219 120.500 0.018 0.000 2.540 211 R HA 0.199 4.565 4.340 0.044 0.000 0.287 211 R C -0.970 175.356 176.300 0.043 0.000 0.980 211 R CA -1.750 54.370 56.100 0.034 0.000 0.966 211 R CB 1.898 32.214 30.300 0.027 0.000 1.106 211 R HN -0.377 8.145 8.270 0.008 -0.248 0.480 212 K N 3.958 124.396 120.400 0.064 0.000 2.322 212 K HA 0.250 4.802 4.320 0.083 -0.182 0.283 212 K C -0.497 176.163 176.600 0.100 0.000 1.042 212 K CA 0.246 56.584 56.287 0.085 0.000 0.958 212 K CB 0.891 33.449 32.500 0.097 0.000 0.984 212 K HN 0.465 8.755 8.250 0.066 0.000 0.473 213 E N 4.988 125.273 120.200 0.142 0.000 2.238 213 E HA 0.721 5.336 4.350 0.175 -0.160 0.267 213 E C -1.405 175.426 176.600 0.386 0.000 0.887 213 E CA -1.527 55.010 56.400 0.229 0.000 0.769 213 E CB 3.951 33.791 29.700 0.233 0.000 1.187 213 E HN 0.176 8.617 8.360 0.136 0.000 0.416 214 L N -0.989 120.397 121.223 0.272 0.000 2.334 214 L HA 0.875 5.530 4.340 0.264 -0.157 0.273 214 L C -1.718 175.059 176.870 -0.156 0.000 1.013 214 L CA -1.702 53.216 54.840 0.130 0.000 0.816 214 L CB 2.810 44.841 42.059 -0.047 0.000 1.278 214 L HN 0.730 9.066 8.230 0.177 0.000 0.431 215 L N 2.504 123.413 121.223 -0.523 0.000 2.302 215 L HA 0.311 4.112 4.340 -1.117 -0.131 0.285 215 L C -0.596 176.042 176.870 -0.387 0.000 1.090 215 L CA -1.279 53.005 54.840 -0.928 0.000 0.866 215 L CB 0.214 41.444 42.059 -1.381 0.000 1.244 215 L HN -0.231 7.788 8.230 -0.352 0.000 0.435 216 A N 6.868 129.474 122.820 -0.356 0.000 2.366 216 A HA 0.073 4.225 4.320 -0.280 0.000 0.249 216 A C 0.536 178.148 177.584 0.047 0.000 1.084 216 A CA -0.273 51.644 52.037 -0.199 0.000 0.794 216 A CB 1.213 20.087 19.000 -0.210 0.000 1.034 216 A HN 0.238 8.166 8.150 -0.371 0.000 0.491 217 H N 0.996 120.048 119.070 -0.030 0.000 2.559 217 H HA -0.187 4.358 4.556 -0.017 0.000 0.273 217 H C 0.945 176.252 175.328 -0.034 0.000 1.000 217 H CA 2.023 58.069 56.048 -0.004 0.000 1.195 217 H CB -0.114 29.681 29.762 0.055 0.000 1.368 217 H HN 0.552 9.013 8.280 0.302 0.000 0.592 218 S N -1.988 113.749 115.700 0.061 0.000 2.507 218 S HA -0.135 4.348 4.470 0.021 0.000 0.235 218 S C 1.012 175.596 174.600 -0.026 0.000 0.988 218 S CA 0.340 58.545 58.200 0.009 0.000 0.944 218 S CB 0.108 63.303 63.200 -0.008 0.000 0.762 218 S HN -0.267 8.035 8.310 0.051 0.039 0.526 219 G N 1.316 110.074 108.800 -0.070 0.000 2.199 219 G HA2 -0.420 3.454 3.960 -0.143 0.000 0.254 219 G HA3 -0.420 3.504 3.960 -0.059 0.000 0.254 219 G C -0.722 174.104 174.900 -0.123 0.000 0.982 219 G CA 0.086 45.124 45.100 -0.103 0.000 0.632 219 G HN -0.090 7.991 8.290 -0.077 0.163 0.529 220 K N 1.167 121.503 120.400 -0.106 0.000 2.143 220 K HA 0.234 4.564 4.320 0.017 0.000 0.272 220 K C -0.875 175.651 176.600 -0.123 0.000 1.001 220 K CA -2.092 54.165 56.287 -0.050 0.000 0.915 220 K CB 0.575 33.073 32.500 -0.004 0.000 1.047 220 K HN -0.672 7.461 8.250 -0.092 0.062 0.458 221 W N 1.605 122.902 121.300 -0.005 0.000 2.335 221 W HA 0.310 5.171 4.660 -0.016 -0.211 0.306 221 W C 0.840 177.346 176.519 -0.021 0.000 1.216 221 W CA -0.344 56.994 57.345 -0.011 0.000 1.237 221 W CB 0.319 29.779 29.460 0.001 0.000 1.243 221 W HN 0.148 8.514 8.180 0.310 0.000 0.493 222 I N 0.121 120.786 120.570 0.159 0.000 2.689 222 I HA 0.692 5.058 4.170 0.087 -0.145 0.299 222 I C -1.411 174.750 176.117 0.073 0.000 1.059 222 I CA -2.237 59.108 61.300 0.074 0.000 1.055 222 I CB 3.182 41.175 38.000 -0.012 0.000 1.243 222 I HN 0.492 8.777 8.210 0.125 0.000 0.425 223 N N 2.786 121.518 118.700 0.054 0.000 2.476 223 N HA 0.369 5.294 4.740 0.064 -0.147 0.287 223 N C 0.918 176.444 175.510 0.027 0.000 1.262 223 N CA -1.948 51.130 53.050 0.048 0.000 0.980 223 N CB 1.326 39.838 38.487 0.043 0.000 1.163 223 N HN 0.071 8.774 8.380 0.047 -0.295 0.592 224 K N 0.058 120.476 120.400 0.030 0.000 2.044 224 K HA -0.442 3.891 4.320 0.022 0.000 0.210 224 K C 1.914 178.523 176.600 0.014 0.000 1.049 224 K CA 4.545 60.846 56.287 0.023 0.000 0.927 224 K CB -0.071 32.447 32.500 0.029 0.000 0.713 224 K HN 0.616 8.888 8.250 0.036 0.000 0.443 225 E N -1.874 118.335 120.200 0.015 0.000 2.107 225 E HA -0.186 4.170 4.350 0.011 0.000 0.191 225 E C 2.336 178.940 176.600 0.006 0.000 0.982 225 E CA 2.609 59.015 56.400 0.011 0.000 0.809 225 E CB -0.335 29.372 29.700 0.012 0.000 0.756 225 E HN -0.469 8.011 8.360 0.018 -0.109 0.459 226 E N -1.429 118.774 120.200 0.005 0.000 2.106 226 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 226 E C 1.147 177.737 176.600 -0.016 0.000 0.984 226 E CA 2.224 58.623 56.400 -0.002 0.000 0.806 226 E CB -0.075 29.627 29.700 0.003 0.000 0.750 226 E HN -0.298 8.387 8.360 0.009 -0.319 0.458 227 A N -1.572 121.235 122.820 -0.023 0.000 1.877 227 A HA -0.161 4.121 4.320 -0.064 0.000 0.216 227 A C 1.573 179.146 177.584 -0.018 0.000 1.186 227 A CA 2.553 54.565 52.037 -0.041 0.000 0.620 227 A CB 0.414 19.384 19.000 -0.049 0.000 0.822 227 A HN -0.400 7.740 8.150 -0.015 0.000 0.443 228 I N -0.514 120.053 120.570 -0.004 0.000 2.163 228 I HA -0.495 3.679 4.170 0.007 0.000 0.243 228 I C 3.336 179.454 176.117 0.001 0.000 1.085 228 I CA 2.713 64.016 61.300 0.004 0.000 1.347 228 I CB -0.219 37.787 38.000 0.009 0.000 1.044 228 I HN -0.225 7.984 8.210 -0.001 0.000 0.408 229 M N 0.914 120.514 119.600 -0.001 0.000 2.202 229 M HA -0.178 4.302 4.480 0.001 0.000 0.262 229 M C 1.744 178.041 176.300 -0.004 0.000 1.063 229 M CA 2.262 57.562 55.300 -0.001 0.000 1.097 229 M CB -0.442 32.158 32.600 -0.001 0.000 1.382 229 M HN 0.023 nan 8.290 nan 0.000 0.413 230 S N -1.678 114.017 115.700 -0.010 0.000 2.614 230 S HA 0.170 4.640 4.470 0.000 0.000 0.230 230 S C 0.400 174.994 174.600 -0.009 0.000 0.952 230 S CA 0.196 58.389 58.200 -0.012 0.000 0.949 230 S CB -0.275 62.912 63.200 -0.022 0.000 0.786 230 S HN 0.620 nan 8.310 nan 0.000 0.478 231 D N 0.652 121.050 120.400 -0.003 0.000 2.708 231 D HA -0.254 4.387 4.640 0.000 0.000 0.236 231 D C -1.897 174.411 176.300 0.013 0.000 1.146 231 D CA 0.419 54.421 54.000 0.005 0.000 0.662 231 D CB -0.172 40.630 40.800 0.003 0.000 1.059 231 D HN 0.158 nan 8.370 nan 0.000 0.428 232 L N -2.351 118.878 121.223 0.010 0.000 2.325 232 L HA 0.227 4.610 4.340 0.071 0.000 0.278 232 L C -0.848 176.061 176.870 0.064 0.000 1.023 232 L CA -0.968 53.894 54.840 0.035 0.000 0.811 232 L CB 2.025 44.057 42.059 -0.045 0.000 1.249 232 L HN -0.332 7.874 8.230 -0.003 0.022 0.431 233 S N 0.691 116.485 115.700 0.155 0.000 2.439 233 S HA 0.075 4.603 4.470 0.097 0.000 0.282 233 S C 0.395 175.115 174.600 0.201 0.000 1.170 233 S CA -0.567 57.729 58.200 0.159 0.000 1.054 233 S CB 0.247 63.558 63.200 0.185 0.000 0.956 233 S HN 0.386 8.825 8.310 0.216 0.000 0.490 234 S N 4.740 120.498 115.700 0.098 0.000 2.562 234 S HA 0.020 4.559 4.470 0.114 0.000 0.221 234 S C -0.405 174.243 174.600 0.080 0.000 0.975 234 S CA 0.586 58.839 58.200 0.089 0.000 0.918 234 S CB 0.642 63.866 63.200 0.039 0.000 0.772 234 S HN 0.519 8.866 8.310 0.061 0.000 0.531 235 K N -0.226 120.187 120.400 0.022 0.000 2.589 235 K HA 0.192 4.500 4.320 -0.020 0.000 0.265 235 K C -2.626 173.867 176.600 -0.179 0.000 0.935 235 K CA 0.363 56.605 56.287 -0.076 0.000 0.850 235 K CB 2.737 35.139 32.500 -0.164 0.000 1.372 235 K HN -0.937 7.290 8.250 0.022 0.036 0.420 236 E N 2.948 123.022 120.200 -0.210 0.000 2.221 236 E HA 0.641 5.005 4.350 -0.195 -0.131 0.268 236 E C -1.100 175.303 176.600 -0.330 0.000 0.933 236 E CA -2.880 53.364 56.400 -0.261 0.000 0.809 236 E CB 2.863 32.356 29.700 -0.344 0.000 1.190 236 E HN 0.369 8.625 8.360 -0.174 0.000 0.406 237 Y N -0.472 119.796 120.300 -0.054 0.000 2.328 237 Y HA 0.451 5.153 4.550 -0.034 -0.172 0.336 237 Y C -0.370 175.554 175.900 0.040 0.000 0.960 237 Y CA -1.340 56.764 58.100 0.006 0.000 1.134 237 Y CB 1.769 40.275 38.460 0.076 0.000 1.166 237 Y HN 0.466 8.769 8.280 0.038 0.000 0.464 238 I N 3.371 124.010 120.570 0.116 0.000 2.353 238 I HA 0.537 4.847 4.170 -0.063 -0.178 0.293 238 I C -1.156 175.075 176.117 0.190 0.000 0.992 238 I CA -1.047 60.262 61.300 0.014 0.000 1.268 238 I CB 1.188 39.119 38.000 -0.116 0.000 1.387 238 I HN 0.470 8.732 8.210 0.086 0.000 0.478 239 F N 3.227 123.200 119.950 0.037 0.000 2.745 239 F HA 0.512 5.084 4.527 0.074 0.000 0.316 239 F C -2.848 173.023 175.800 0.118 0.000 1.155 239 F CA -2.046 55.995 58.000 0.068 0.000 0.937 239 F CB 2.901 41.922 39.000 0.035 0.000 1.361 239 F HN 0.585 8.662 8.300 -0.371 0.000 0.472 240 F N 0.618 120.674 119.950 0.177 0.000 2.411 240 F HA 0.271 4.770 4.527 -0.045 0.000 0.352 240 F C -1.725 174.187 175.800 0.187 0.000 1.123 240 F CA -1.024 57.016 58.000 0.066 0.000 1.044 240 F CB 2.447 41.479 39.000 0.053 0.000 1.135 240 F HN 0.536 9.164 8.300 0.548 0.000 0.461 241 D N 7.681 127.843 120.400 -0.397 0.000 2.359 241 D HA 0.203 4.903 4.640 0.100 0.000 0.230 241 D C -0.060 176.005 176.300 -0.392 0.000 1.118 241 D CA -1.393 52.507 54.000 -0.167 0.000 0.844 241 D CB 0.903 41.661 40.800 -0.069 0.000 1.059 241 D HN -0.003 7.994 8.370 -0.622 0.000 0.493 242 S N 6.013 121.659 115.700 -0.091 0.000 2.515 242 S HA -0.172 4.425 4.470 -0.028 -0.144 0.231 242 S C 0.800 175.385 174.600 -0.025 0.000 0.987 242 S CA 1.772 59.973 58.200 0.001 0.000 0.936 242 S CB 0.176 63.475 63.200 0.165 0.000 0.766 242 S HN 0.479 8.819 8.310 0.050 0.000 0.528 243 I N 0.595 121.143 120.570 -0.037 0.000 2.394 243 I HA -0.265 3.904 4.170 -0.003 0.000 0.251 243 I C -0.316 175.776 176.117 -0.041 0.000 1.136 243 I CA 2.135 63.423 61.300 -0.021 0.000 1.425 243 I CB 0.620 38.617 38.000 -0.006 0.000 1.079 243 I HN -0.520 7.933 8.210 -0.036 -0.265 0.425 244 D N -3.650 116.694 120.400 -0.092 0.000 2.539 244 D HA 0.066 4.673 4.640 -0.054 0.000 0.232 244 D C 0.165 176.380 176.300 -0.142 0.000 1.256 244 D CA -0.870 53.076 54.000 -0.090 0.000 0.810 244 D CB 0.783 41.538 40.800 -0.076 0.000 1.090 244 D HN -0.627 7.663 8.370 -0.133 0.000 0.519 245 N N -1.967 116.574 118.700 -0.264 0.000 2.725 245 N HA -0.547 3.754 4.740 -0.828 -0.058 0.251 245 N C -1.714 173.551 175.510 -0.409 0.000 1.031 245 N CA 1.993 54.812 53.050 -0.385 0.000 0.720 245 N CB -1.665 36.847 38.487 0.042 0.000 0.930 245 N HN 0.039 8.146 8.380 -0.285 0.103 0.543 246 K N -2.876 117.206 120.400 -0.529 0.000 2.375 246 K HA 0.277 4.480 4.320 -0.195 0.000 0.249 246 K C -1.102 175.269 176.600 -0.383 0.000 0.942 246 K CA -1.993 54.106 56.287 -0.314 0.000 0.806 246 K CB 3.829 36.219 32.500 -0.184 0.000 1.227 246 K HN -0.783 7.239 8.250 -0.585 -0.124 0.430 247 L N 2.395 123.505 121.223 -0.190 0.000 2.456 247 L HA 0.197 4.579 4.340 -0.205 -0.165 0.272 247 L C 0.136 176.840 176.870 -0.277 0.000 1.189 247 L CA 0.559 55.291 54.840 -0.181 0.000 0.846 247 L CB 0.475 42.507 42.059 -0.045 0.000 1.111 247 L HN 0.411 8.582 8.230 -0.098 0.000 0.475 248 K N 1.277 121.363 120.400 -0.522 0.000 2.509 248 K HA 0.471 nan 4.320 nan 0.000 0.266 248 K C -2.576 173.677 176.600 -0.578 0.000 0.987 248 K CA -1.921 54.036 56.287 -0.550 0.000 0.868 248 K CB 4.917 36.995 32.500 -0.703 0.000 1.421 248 K HN 0.487 8.330 8.250 -0.679 0.000 0.444 249 A N 0.271 122.997 122.820 -0.158 0.000 2.435 249 A HA 1.155 5.697 4.320 -0.010 -0.229 0.304 249 A C -2.322 175.470 177.584 0.348 0.000 1.064 249 A CA -1.999 50.057 52.037 0.032 0.000 0.727 249 A CB 3.970 22.893 19.000 -0.129 0.000 1.284 249 A HN 0.103 8.250 8.150 -0.005 0.000 0.415 250 K N -0.569 120.083 120.400 0.420 0.000 2.532 250 K HA 0.554 5.221 4.320 0.376 -0.121 0.265 250 K C -1.067 175.704 176.600 0.285 0.000 0.948 250 K CA -1.652 54.867 56.287 0.387 0.000 0.842 250 K CB 3.863 36.589 32.500 0.377 0.000 1.392 250 K HN 0.351 8.836 8.250 0.392 0.000 0.436 251 S N 2.060 117.889 115.700 0.216 0.000 2.549 251 S HA -0.189 4.624 4.470 0.093 -0.287 0.283 251 S C 0.586 175.217 174.600 0.051 0.000 1.320 251 S CA 0.528 58.795 58.200 0.113 0.000 1.058 251 S CB 0.710 63.966 63.200 0.093 0.000 0.882 251 S HN 0.249 8.674 8.310 0.191 0.000 0.498 252 K N 6.778 127.108 120.400 -0.117 0.000 2.063 252 K HA -0.234 4.120 4.320 0.056 0.000 0.208 252 K C 0.909 177.530 176.600 0.034 0.000 1.048 252 K CA 2.492 58.719 56.287 -0.100 0.000 0.928 252 K CB 0.231 32.530 32.500 -0.335 0.000 0.713 252 K HN 0.314 8.437 8.250 -0.212 0.000 0.442 253 N N -4.572 114.138 118.700 0.016 0.000 2.257 253 N HA 0.075 4.838 4.740 0.037 0.000 0.200 253 N C -0.454 175.075 175.510 0.031 0.000 1.163 253 N CA 0.130 53.198 53.050 0.029 0.000 0.891 253 N CB 2.413 40.913 38.487 0.021 0.000 1.067 253 N HN -0.667 7.698 8.380 0.006 0.018 0.497 254 I N 1.769 122.359 120.570 0.034 0.000 2.306 254 I HA 0.464 4.647 4.170 0.021 0.000 0.288 254 I C -2.252 173.878 176.117 0.021 0.000 1.036 254 I CA -4.333 56.982 61.300 0.025 0.000 1.221 254 I CB -0.471 37.544 38.000 0.024 0.000 1.385 254 I HN -0.416 7.818 8.210 0.039 0.000 0.472 255 P HA 0.049 4.484 4.420 0.024 0.000 0.268 255 P C 0.449 177.750 177.300 0.002 0.000 1.204 255 P CA 0.846 63.955 63.100 0.015 0.000 0.768 255 P CB 0.087 31.794 31.700 0.012 0.000 0.842 256 G N 1.475 110.276 108.800 0.003 0.000 2.176 256 G HA2 -0.404 3.551 3.960 -0.008 0.000 0.253 256 G HA3 -0.404 3.545 3.960 -0.018 0.000 0.253 256 G C -0.610 174.259 174.900 -0.052 0.000 0.979 256 G CA -0.029 45.061 45.100 -0.016 0.000 0.641 256 G HN 0.333 8.632 8.290 0.015 0.000 0.530 257 L N 2.966 124.152 121.223 -0.062 0.000 2.268 257 L HA 0.182 4.385 4.340 -0.228 0.000 0.289 257 L C -2.334 174.437 176.870 -0.165 0.000 1.064 257 L CA -0.441 54.299 54.840 -0.167 0.000 0.824 257 L CB -0.377 41.601 42.059 -0.135 0.000 1.202 257 L HN -0.739 7.405 8.230 -0.031 0.067 0.433 258 A N 4.917 127.587 122.820 -0.249 0.000 2.599 258 A HA 0.365 4.867 4.320 0.128 -0.106 0.290 258 A C -1.847 175.732 177.584 -0.008 0.000 1.101 258 A CA -1.058 50.965 52.037 -0.024 0.000 0.674 258 A CB 3.126 22.183 19.000 0.095 0.000 1.277 258 A HN -0.304 7.663 8.150 -0.306 0.000 0.419 259 S N 0.365 116.234 115.700 0.280 0.000 2.560 259 S HA -0.054 4.704 4.470 0.479 0.000 0.284 259 S C 1.198 175.873 174.600 0.124 0.000 1.327 259 S CA -0.186 58.203 58.200 0.314 0.000 1.055 259 S CB 0.435 63.808 63.200 0.289 0.000 0.868 259 S HN -0.095 8.411 8.310 0.328 0.000 0.506 260 I N 4.055 124.688 120.570 0.105 0.000 2.752 260 I HA -0.250 3.933 4.170 0.022 0.000 0.287 260 I C -0.191 175.946 176.117 0.033 0.000 1.188 260 I CA 0.992 62.318 61.300 0.043 0.000 1.427 260 I CB 0.249 38.266 38.000 0.028 0.000 1.365 260 I HN 0.346 8.642 8.210 0.145 0.000 0.585 261 S N 0.000 115.709 115.700 0.015 0.000 2.498 261 S HA 0.000 4.474 4.470 0.006 0.000 0.327 261 S CA 0.000 58.204 58.200 0.006 0.000 1.107 261 S CB 0.000 63.202 63.200 0.002 0.000 0.593 261 S HN 0.000 8.316 8.310 0.009 0.000 0.517