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 1fpw_1_A DATA FIRST_RESID 1 DATA SEQUENCE MGAKTSKLSK DDLTCLKQST YFDRREIQQW HKGFLRDCPS GQLAREDFVK DATA SEQUENCE IYKQFFPFGS PEDFANHLFT VFDKDNNGFI HFEEFITVLS TTSRGTLEEK DATA SEQUENCE LSWAFELYDL NHDGYITFDE MLTIVASVYK MMGSMVTLNE DEATPEMRVK DATA SEQUENCE KIFKLMDKNE DGYITLDEFR EGSKVDPSII GALNLYDGLI 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 4.484 4.480 0.006 0.000 0.227 1 M C 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.304 55.300 0.006 0.000 0.988 1 M CB 0.000 nan 32.600 nan 0.000 1.302 2 G N -0.701 108.103 108.800 0.007 0.000 2.825 2 G HA2 0.039 4.004 3.960 0.008 0.000 0.100 2 G HA3 0.039 4.004 3.960 0.008 0.000 0.100 2 G C -1.720 173.185 174.900 0.009 0.000 1.195 2 G CA 0.172 45.276 45.100 0.008 0.000 1.317 2 G HN 0.198 8.492 8.290 0.007 0.000 0.632 3 A N 2.146 124.972 122.820 0.010 0.000 2.328 3 A HA 0.402 4.730 4.320 0.012 0.000 0.284 3 A C 0.346 177.937 177.584 0.012 0.000 1.160 3 A CA -0.267 51.777 52.037 0.012 0.000 0.818 3 A CB 0.565 19.572 19.000 0.013 0.000 1.087 3 A HN -0.017 8.139 8.150 0.010 0.000 0.504 4 K N 2.509 122.917 120.400 0.013 0.000 3.206 4 K HA 0.088 4.415 4.320 0.012 0.000 0.284 4 K C -0.026 176.583 176.600 0.015 0.000 1.082 4 K CA -0.270 56.025 56.287 0.013 0.000 1.536 4 K CB 0.510 33.017 32.500 0.013 0.000 1.993 4 K HN 0.260 8.518 8.250 0.013 0.000 0.646 5 T N -1.989 112.575 114.554 0.017 0.000 3.201 5 T HA 0.190 4.553 4.350 0.021 0.000 0.338 5 T C -1.360 173.354 174.700 0.024 0.000 1.095 5 T CA 0.068 62.180 62.100 0.020 0.000 1.426 5 T CB -0.468 68.411 68.868 0.018 0.000 0.956 5 T HN -0.058 8.192 8.240 0.016 0.000 0.551 6 S N 0.871 116.588 115.700 0.027 0.000 2.708 6 S HA 0.060 4.553 4.470 0.038 0.000 0.214 6 S C -0.998 173.625 174.600 0.039 0.000 0.820 6 S CA -0.153 58.067 58.200 0.033 0.000 1.439 6 S CB 1.074 64.290 63.200 0.027 0.000 1.275 6 S HN 0.010 8.335 8.310 0.026 0.000 0.588 7 K N 1.560 121.981 120.400 0.035 0.000 2.583 7 K HA 0.079 4.421 4.320 0.037 0.000 0.266 7 K C -0.620 176.006 176.600 0.043 0.000 1.037 7 K CA -0.076 56.232 56.287 0.035 0.000 0.996 7 K CB 0.821 33.336 32.500 0.025 0.000 1.307 7 K HN -0.521 7.809 8.250 0.031 -0.062 0.502 8 L N -1.014 120.225 121.223 0.027 0.000 2.737 8 L HA 0.163 4.545 4.340 0.071 0.000 0.182 8 L C -0.561 176.311 176.870 0.004 0.000 1.361 8 L CA 0.813 55.667 54.840 0.023 0.000 0.955 8 L CB 0.825 42.857 42.059 -0.045 0.000 1.267 8 L HN -0.019 8.220 8.230 0.015 0.000 0.572 9 S N -1.993 113.674 115.700 -0.055 0.000 2.572 9 S HA -0.186 4.287 4.470 0.005 0.000 0.267 9 S C 0.278 174.883 174.600 0.008 0.000 1.361 9 S CA 1.239 59.426 58.200 -0.022 0.000 1.009 9 S CB 0.240 63.414 63.200 -0.043 0.000 0.888 9 S HN -0.277 7.957 8.310 -0.126 0.000 0.553 10 K N 0.201 120.612 120.400 0.019 0.000 9.127 10 K HA -0.542 3.792 4.320 0.023 0.000 0.501 10 K C 1.399 178.014 176.600 0.024 0.000 0.371 10 K CA 2.903 59.203 56.287 0.021 0.000 1.951 10 K CB -0.842 31.668 32.500 0.017 0.000 0.721 10 K HN 0.380 8.644 8.250 0.024 0.000 1.023 11 D N -1.403 119.011 120.400 0.024 0.000 2.182 11 D HA -0.269 4.385 4.640 0.025 0.000 0.201 11 D C 1.720 178.040 176.300 0.033 0.000 0.986 11 D CA 2.698 56.714 54.000 0.028 0.000 0.847 11 D CB 0.029 40.847 40.800 0.030 0.000 0.942 11 D HN 0.241 8.537 8.370 0.021 0.086 0.467 12 D N 0.250 120.673 120.400 0.038 0.000 2.087 12 D HA -0.342 4.323 4.640 0.042 0.000 0.192 12 D C 1.979 178.303 176.300 0.040 0.000 0.993 12 D CA 3.507 57.533 54.000 0.043 0.000 0.828 12 D CB -0.138 40.694 40.800 0.054 0.000 0.968 12 D HN -0.575 7.802 8.370 0.038 0.016 0.448 13 L N -1.124 120.123 121.223 0.040 0.000 2.010 13 L HA -0.399 3.967 4.340 0.044 0.000 0.219 13 L C 2.458 179.346 176.870 0.031 0.000 1.077 13 L CA 3.600 58.462 54.840 0.037 0.000 0.773 13 L CB -0.657 41.421 42.059 0.032 0.000 0.892 13 L HN 0.052 8.306 8.230 0.041 0.000 0.436 14 T N -2.372 112.198 114.554 0.027 0.000 2.685 14 T HA -0.348 4.014 4.350 0.020 0.000 0.268 14 T C 1.372 176.085 174.700 0.022 0.000 1.034 14 T CA 3.976 66.090 62.100 0.022 0.000 1.149 14 T CB -0.286 68.595 68.868 0.021 0.000 0.860 14 T HN -0.436 7.820 8.240 0.027 0.000 0.449 15 C N 0.685 120.000 119.300 0.025 0.000 2.538 15 C HA -0.023 4.448 4.460 0.018 0.000 0.281 15 C C 1.111 176.115 174.990 0.023 0.000 1.320 15 C CA 0.806 59.837 59.018 0.022 0.000 1.714 15 C CB 1.312 29.066 27.740 0.023 0.000 2.095 15 C HN -0.399 7.747 8.230 0.027 0.100 0.497 16 L N 0.552 121.793 121.223 0.030 0.000 2.651 16 L HA -0.216 4.142 4.340 0.029 0.000 0.236 16 L C 0.064 176.958 176.870 0.039 0.000 1.173 16 L CA 1.574 56.437 54.840 0.037 0.000 0.843 16 L CB -1.098 40.994 42.059 0.054 0.000 0.964 16 L HN 0.573 8.693 8.230 0.032 0.130 0.454 17 K N -0.656 119.763 120.400 0.031 0.000 2.393 17 K HA -0.303 4.037 4.320 0.033 0.000 0.264 17 K C 0.208 176.824 176.600 0.026 0.000 0.979 17 K CA 1.232 57.537 56.287 0.029 0.000 0.893 17 K CB 0.128 32.641 32.500 0.021 0.000 0.967 17 K HN -0.686 7.453 8.250 0.028 0.127 0.521 18 Q N -3.293 116.521 119.800 0.025 0.000 2.305 18 Q HA -0.266 4.085 4.340 0.018 0.000 0.203 18 Q C -1.140 174.875 176.000 0.025 0.000 0.663 18 Q CA 2.086 57.901 55.803 0.020 0.000 1.389 18 Q CB -0.527 28.218 28.738 0.013 0.000 1.566 18 Q HN 0.684 8.969 8.270 0.025 0.000 0.755 19 S N -3.850 111.875 115.700 0.041 0.000 5.084 19 S HA 0.079 4.578 4.470 0.048 0.000 0.156 19 S C -0.997 173.671 174.600 0.113 0.000 1.073 19 S CA 0.802 59.039 58.200 0.062 0.000 1.336 19 S CB 1.743 64.972 63.200 0.048 0.000 1.919 19 S HN -0.386 7.836 8.310 0.044 0.115 0.624 20 T N 6.375 120.998 114.554 0.115 0.000 2.975 20 T HA -0.391 4.056 4.350 0.162 0.000 0.447 20 T C -1.054 173.751 174.700 0.175 0.000 0.775 20 T CA 1.476 63.660 62.100 0.140 0.000 2.468 20 T CB -1.059 67.859 68.868 0.083 0.000 1.556 20 T HN 0.215 8.415 8.240 0.088 0.093 0.508 21 Y N 3.597 123.956 120.300 0.098 0.000 2.627 21 Y HA -0.045 4.420 4.550 -0.142 0.000 0.339 21 Y C -1.479 174.160 175.900 -0.434 0.000 1.137 21 Y CA -0.993 57.043 58.100 -0.108 0.000 1.361 21 Y CB -0.174 38.228 38.460 -0.097 0.000 1.180 21 Y HN 0.130 8.648 8.280 0.397 0.000 0.512 22 F N -0.815 119.062 119.950 -0.121 0.000 2.883 22 F HA 0.175 4.730 4.527 -0.295 -0.204 0.383 22 F C -1.166 174.564 175.800 -0.117 0.000 1.342 22 F CA -1.472 56.422 58.000 -0.176 0.000 1.150 22 F CB 1.585 40.525 39.000 -0.100 0.000 2.189 22 F HN -0.755 7.487 8.300 0.121 0.131 0.593 23 D N 2.340 122.707 120.400 -0.056 0.000 2.567 23 D HA -0.192 4.450 4.640 0.003 0.000 0.228 23 D C 1.677 177.987 176.300 0.016 0.000 1.185 23 D CA 1.800 55.787 54.000 -0.021 0.000 0.874 23 D CB 0.635 41.395 40.800 -0.067 0.000 1.219 23 D HN -0.081 8.178 8.370 -0.185 0.000 0.494 24 R N 3.528 124.045 120.500 0.027 0.000 2.191 24 R HA -0.587 3.792 4.340 0.065 0.000 0.248 24 R C 1.703 178.024 176.300 0.035 0.000 1.127 24 R CA 4.468 60.594 56.100 0.042 0.000 0.943 24 R CB -0.024 30.294 30.300 0.030 0.000 0.891 24 R HN 0.584 8.867 8.270 0.022 0.000 0.439 25 R N -4.628 115.875 120.500 0.006 0.000 2.228 25 R HA -0.285 4.058 4.340 0.005 0.000 0.259 25 R C 2.300 178.586 176.300 -0.022 0.000 1.183 25 R CA 2.451 58.545 56.100 -0.009 0.000 1.002 25 R CB -1.130 29.149 30.300 -0.035 0.000 0.879 25 R HN 0.350 8.622 8.270 -0.003 -0.004 0.467 26 E N -2.210 117.974 120.200 -0.027 0.000 2.048 26 E HA -0.097 4.157 4.350 -0.160 0.000 0.193 26 E C 1.999 178.590 176.600 -0.014 0.000 0.956 26 E CA 2.279 58.627 56.400 -0.086 0.000 0.846 26 E CB 0.846 30.516 29.700 -0.051 0.000 0.827 26 E HN 0.103 8.278 8.360 -0.010 0.179 0.466 27 I N -2.514 118.118 120.570 0.104 0.000 2.381 27 I HA -0.574 3.829 4.170 0.388 0.000 0.255 27 I C 2.138 178.500 176.117 0.408 0.000 1.140 27 I CA 2.998 64.474 61.300 0.293 0.000 1.404 27 I CB -0.796 37.346 38.000 0.236 0.000 1.075 27 I HN -0.780 7.495 8.210 0.109 0.000 0.433 28 Q N -0.602 119.338 119.800 0.234 0.000 2.123 28 Q HA -0.310 4.194 4.340 0.272 0.000 0.199 28 Q C 2.320 178.465 176.000 0.241 0.000 0.966 28 Q CA 2.476 58.416 55.803 0.228 0.000 0.845 28 Q CB -0.836 27.979 28.738 0.128 0.000 0.907 28 Q HN 0.282 8.603 8.270 0.149 0.038 0.439 29 Q N -0.039 119.862 119.800 0.168 0.000 2.020 29 Q HA -0.265 4.147 4.340 0.121 0.000 0.202 29 Q C 2.537 178.721 176.000 0.307 0.000 0.982 29 Q CA 2.959 58.847 55.803 0.142 0.000 0.838 29 Q CB -0.356 28.383 28.738 0.001 0.000 0.899 29 Q HN 0.032 8.260 8.270 0.108 0.107 0.423 30 W N -1.003 120.474 121.300 0.295 0.000 2.388 30 W HA -0.174 4.663 4.660 0.294 0.000 0.294 30 W C 2.025 178.779 176.519 0.392 0.000 1.212 30 W CA 1.748 59.334 57.345 0.401 0.000 1.271 30 W CB -0.853 28.912 29.460 0.509 0.000 1.126 30 W HN -0.403 8.004 8.180 0.379 0.000 0.535 31 H N 1.084 120.407 119.070 0.423 0.000 2.261 31 H HA -0.628 2.829 4.556 -1.831 0.000 0.290 31 H C 1.814 177.034 175.328 -0.180 0.000 1.081 31 H CA 4.386 60.165 56.048 -0.449 0.000 1.196 31 H CB 0.269 29.910 29.762 -0.201 0.000 1.350 31 H HN 0.064 8.724 8.280 0.805 0.104 0.498 32 K N -2.411 117.884 120.400 -0.176 0.000 2.147 32 K HA -0.290 3.773 4.320 -0.428 0.000 0.205 32 K C 2.598 179.145 176.600 -0.089 0.000 1.049 32 K CA 2.832 58.987 56.287 -0.220 0.000 0.936 32 K CB -0.541 31.917 32.500 -0.069 0.000 0.722 32 K HN -0.519 7.771 8.250 0.067 0.000 0.446 33 G N -0.871 107.968 108.800 0.065 0.000 2.403 33 G HA2 -0.194 3.797 3.960 0.052 0.000 0.216 33 G HA3 -0.194 3.891 3.960 0.208 0.000 0.216 33 G C 0.843 175.807 174.900 0.106 0.000 1.154 33 G CA 1.422 46.591 45.100 0.114 0.000 0.784 33 G HN -0.507 7.766 8.290 0.146 0.104 0.538 34 F N 4.094 124.040 119.950 -0.007 0.000 2.163 34 F HA 0.151 4.842 4.527 -0.033 -0.183 0.297 34 F C 1.669 177.397 175.800 -0.120 0.000 1.094 34 F CA 1.651 59.628 58.000 -0.038 0.000 1.290 34 F CB 0.762 39.818 39.000 0.093 0.000 1.017 34 F HN 0.521 8.783 8.300 0.284 0.209 0.483 35 L N -1.807 119.213 121.223 -0.338 0.000 2.201 35 L HA -0.337 3.856 4.340 -0.573 -0.197 0.212 35 L C 2.201 178.872 176.870 -0.331 0.000 1.105 35 L CA 2.117 56.700 54.840 -0.427 0.000 0.775 35 L CB -0.334 41.499 42.059 -0.376 0.000 0.913 35 L HN 0.203 8.296 8.230 -0.228 0.000 0.440 36 R N -0.404 119.953 120.500 -0.239 0.000 2.066 36 R HA -0.299 3.948 4.340 -0.155 0.000 0.232 36 R C 1.588 177.782 176.300 -0.177 0.000 1.131 36 R CA 3.173 59.174 56.100 -0.166 0.000 0.955 36 R CB -0.210 30.031 30.300 -0.098 0.000 0.851 36 R HN -0.504 7.526 8.270 -0.205 0.117 0.432 37 D N -2.731 117.549 120.400 -0.200 0.000 2.269 37 D HA -0.150 4.413 4.640 -0.130 0.000 0.208 37 D C 0.366 176.508 176.300 -0.263 0.000 0.963 37 D CA 1.350 55.238 54.000 -0.187 0.000 0.864 37 D CB 0.483 41.196 40.800 -0.146 0.000 0.936 37 D HN -0.392 7.861 8.370 -0.195 0.000 0.505 38 C N -0.783 118.272 119.300 -0.408 0.000 3.078 38 C HA 0.496 4.789 4.460 -0.279 0.000 0.320 38 C C -1.946 172.812 174.990 -0.386 0.000 1.039 38 C CA -3.335 55.434 59.018 -0.415 0.000 1.386 38 C CB 1.111 28.492 27.740 -0.597 0.000 1.836 38 C HN -0.530 7.263 8.230 -0.468 0.156 0.514 39 P HA 0.018 4.424 4.420 -0.206 -0.110 0.223 39 P C -0.735 176.465 177.300 -0.166 0.000 1.144 39 P CA 1.708 64.693 63.100 -0.192 0.000 0.783 39 P CB 0.116 31.734 31.700 -0.136 0.000 0.771 40 S N -4.361 111.232 115.700 -0.177 0.000 2.556 40 S HA -0.010 4.403 4.470 -0.094 0.000 0.216 40 S C 0.444 174.987 174.600 -0.095 0.000 0.970 40 S CA 0.014 58.139 58.200 -0.125 0.000 0.912 40 S CB 0.466 63.587 63.200 -0.133 0.000 0.790 40 S HN -0.363 7.755 8.310 -0.208 0.066 0.504 41 G N 3.379 112.064 108.800 -0.193 0.000 2.296 41 G HA2 -0.373 3.248 3.960 -0.608 0.000 0.263 41 G HA3 -0.373 3.699 3.960 0.186 0.000 0.263 41 G C -1.758 173.288 174.900 0.243 0.000 0.887 41 G CA 1.001 46.079 45.100 -0.037 0.000 1.318 41 G HN 0.145 8.027 8.290 -0.316 0.219 0.403 42 Q N 1.398 121.313 119.800 0.193 0.000 2.406 42 Q HA 0.063 4.619 4.340 0.360 0.000 0.244 42 Q C -1.568 174.622 176.000 0.317 0.000 0.884 42 Q CA -0.843 55.116 55.803 0.261 0.000 0.813 42 Q CB 3.143 31.870 28.738 -0.018 0.000 1.368 42 Q HN -0.485 7.740 8.270 -0.074 0.000 0.439 43 L N 5.083 126.501 121.223 0.326 0.000 2.261 43 L HA 0.259 4.666 4.340 0.112 0.000 0.289 43 L C -2.340 174.571 176.870 0.068 0.000 1.059 43 L CA -1.002 53.891 54.840 0.088 0.000 0.816 43 L CB 1.900 43.793 42.059 -0.277 0.000 1.191 43 L HN 0.630 9.055 8.230 0.326 0.000 0.431 44 A N 5.282 128.164 122.820 0.103 0.000 2.271 44 A HA 0.383 4.660 4.320 -0.072 0.000 0.288 44 A C 0.024 177.469 177.584 -0.233 0.000 1.094 44 A CA -1.200 50.835 52.037 -0.004 0.000 0.828 44 A CB 1.748 20.854 19.000 0.177 0.000 1.091 44 A HN 0.386 8.600 8.150 0.106 0.000 0.493 45 R N 2.609 122.855 120.500 -0.423 0.000 2.134 45 R HA -0.507 3.481 4.340 -0.588 0.000 0.248 45 R C 1.424 177.668 176.300 -0.094 0.000 1.143 45 R CA 4.550 60.428 56.100 -0.370 0.000 0.957 45 R CB -0.021 30.177 30.300 -0.170 0.000 0.867 45 R HN 0.744 8.727 8.270 -0.478 0.000 0.441 46 E N -2.480 117.687 120.200 -0.055 0.000 2.033 46 E HA -0.398 3.957 4.350 0.008 0.000 0.199 46 E C 2.154 178.755 176.600 0.001 0.000 1.011 46 E CA 3.682 60.079 56.400 -0.005 0.000 0.815 46 E CB -0.930 28.774 29.700 0.006 0.000 0.755 46 E HN 0.018 8.335 8.360 -0.066 0.003 0.451 47 D N -0.932 119.451 120.400 -0.028 0.000 2.127 47 D HA -0.322 4.287 4.640 -0.051 0.000 0.190 47 D C 2.055 178.330 176.300 -0.042 0.000 1.000 47 D CA 3.356 57.317 54.000 -0.065 0.000 0.839 47 D CB -0.113 40.612 40.800 -0.124 0.000 0.955 47 D HN -0.733 7.618 8.370 -0.031 0.000 0.446 48 F N -0.032 119.785 119.950 -0.222 0.000 2.039 48 F HA -0.455 3.908 4.527 -0.274 0.000 0.296 48 F C 2.086 177.848 175.800 -0.064 0.000 1.119 48 F CA 2.435 60.322 58.000 -0.189 0.000 1.211 48 F CB -0.242 38.661 39.000 -0.162 0.000 0.956 48 F HN -0.573 7.698 8.300 -0.049 0.000 0.496 49 V N -1.077 118.983 119.914 0.244 0.000 2.252 49 V HA -0.646 3.649 4.120 0.291 0.000 0.249 49 V C 2.123 178.297 176.094 0.133 0.000 1.056 49 V CA 4.675 67.088 62.300 0.188 0.000 1.022 49 V CB -0.580 31.300 31.823 0.096 0.000 0.641 49 V HN -0.344 7.964 8.190 0.198 0.000 0.445 50 K N 0.138 120.578 120.400 0.067 0.000 2.107 50 K HA -0.412 3.937 4.320 0.049 0.000 0.211 50 K C 2.483 179.093 176.600 0.016 0.000 1.049 50 K CA 3.654 59.962 56.287 0.035 0.000 0.927 50 K CB -0.262 32.239 32.500 0.002 0.000 0.714 50 K HN -0.432 7.852 8.250 0.058 0.000 0.452 51 I N -1.659 118.870 120.570 -0.068 0.000 2.202 51 I HA -0.426 3.669 4.170 -0.126 0.000 0.242 51 I C 1.975 177.925 176.117 -0.279 0.000 1.091 51 I CA 4.294 65.455 61.300 -0.232 0.000 1.368 51 I CB 0.046 37.787 38.000 -0.430 0.000 1.058 51 I HN -0.409 7.758 8.210 -0.061 0.007 0.410 52 Y N -1.456 118.787 120.300 -0.095 0.000 2.224 52 Y HA -0.466 4.009 4.550 -0.125 0.000 0.289 52 Y C 1.964 177.930 175.900 0.111 0.000 1.146 52 Y CA 2.999 61.070 58.100 -0.048 0.000 1.182 52 Y CB -0.810 37.609 38.460 -0.068 0.000 0.983 52 Y HN -0.926 7.239 8.280 -0.067 0.074 0.524 53 K N 0.202 120.743 120.400 0.235 0.000 1.978 53 K HA -0.441 3.987 4.320 0.180 0.000 0.214 53 K C 2.915 179.637 176.600 0.203 0.000 1.049 53 K CA 3.353 59.749 56.287 0.182 0.000 0.939 53 K CB -0.136 32.428 32.500 0.107 0.000 0.721 53 K HN 0.282 8.637 8.250 0.191 0.010 0.441 54 Q N -1.826 118.095 119.800 0.202 0.000 2.197 54 Q HA -0.331 4.065 4.340 0.093 0.000 0.207 54 Q C 2.135 178.309 176.000 0.291 0.000 0.984 54 Q CA 2.796 58.722 55.803 0.206 0.000 0.869 54 Q CB -0.189 28.693 28.738 0.240 0.000 0.906 54 Q HN -0.585 7.785 8.270 0.168 0.000 0.426 55 F N -3.641 116.372 119.950 0.105 0.000 2.259 55 F HA -0.141 4.418 4.527 0.053 0.000 0.298 55 F C -0.030 175.807 175.800 0.061 0.000 1.088 55 F CA 2.656 60.743 58.000 0.144 0.000 1.358 55 F CB 0.910 40.102 39.000 0.319 0.000 1.040 55 F HN -0.706 7.872 8.300 0.653 0.114 0.505 56 F N -3.327 116.767 119.950 0.241 0.000 2.794 56 F HA 0.423 5.056 4.527 0.176 0.000 0.353 56 F C -1.877 173.963 175.800 0.066 0.000 1.371 56 F CA -2.913 55.178 58.000 0.153 0.000 1.173 56 F CB 0.537 39.612 39.000 0.125 0.000 1.693 56 F HN -0.511 7.953 8.300 0.487 0.128 0.606 57 P HA -0.123 4.278 4.420 -0.031 0.000 0.226 57 P C -0.565 176.627 177.300 -0.179 0.000 1.153 57 P CA 1.276 64.288 63.100 -0.146 0.000 0.777 57 P CB 0.125 31.616 31.700 -0.350 0.000 0.794 58 F N -2.875 117.125 119.950 0.083 0.000 2.367 58 F HA -0.012 4.549 4.527 0.055 0.000 0.298 58 F C 0.930 176.796 175.800 0.109 0.000 1.094 58 F CA 0.428 58.476 58.000 0.081 0.000 1.409 58 F CB -0.320 38.722 39.000 0.069 0.000 1.064 58 F HN -0.235 8.036 8.300 0.029 0.047 0.528 59 G N -2.814 106.177 108.800 0.318 0.000 2.606 59 G HA2 0.261 4.328 3.960 0.178 0.000 0.262 59 G HA3 0.261 4.487 3.960 0.182 -0.156 0.262 59 G C -1.610 173.359 174.900 0.116 0.000 1.394 59 G CA -0.451 44.768 45.100 0.197 0.000 1.044 59 G HN -0.749 7.628 8.290 0.372 0.137 0.553 60 S N -1.077 114.660 115.700 0.062 0.000 2.359 60 S HA 0.522 5.022 4.470 0.050 0.000 0.148 60 S C -1.942 172.662 174.600 0.008 0.000 1.610 60 S CA -1.670 56.555 58.200 0.042 0.000 1.274 60 S CB 0.912 64.139 63.200 0.045 0.000 1.380 60 S HN -0.390 7.945 8.310 0.041 0.000 0.380 61 P HA 0.145 4.491 4.420 -0.123 0.000 0.252 61 P C -1.025 176.267 177.300 -0.012 0.000 1.694 61 P CA 0.005 63.049 63.100 -0.095 0.000 1.163 61 P CB -0.919 30.658 31.700 -0.205 0.000 1.934 62 E N 3.375 123.587 120.200 0.019 0.000 2.175 62 E HA -0.051 4.308 4.350 0.015 0.000 0.193 62 E C 0.617 177.222 176.600 0.009 0.000 0.962 62 E CA 1.684 58.094 56.400 0.017 0.000 0.981 62 E CB 1.314 31.023 29.700 0.014 0.000 1.093 62 E HN 0.042 8.390 8.360 0.027 0.029 0.483 63 D N -0.407 120.004 120.400 0.018 0.000 2.265 63 D HA -0.298 4.241 4.640 -0.169 0.000 0.208 63 D C 1.289 177.618 176.300 0.048 0.000 0.977 63 D CA 2.497 56.473 54.000 -0.040 0.000 0.871 63 D CB -1.358 39.472 40.800 0.051 0.000 0.925 63 D HN 0.405 8.796 8.370 0.035 0.000 0.485 64 F N 1.190 121.107 119.950 -0.054 0.000 2.014 64 F HA -0.390 4.180 4.527 0.071 0.000 0.295 64 F C 1.395 177.072 175.800 -0.205 0.000 1.145 64 F CA 3.934 61.863 58.000 -0.118 0.000 1.178 64 F CB -0.023 38.761 39.000 -0.359 0.000 0.972 64 F HN -0.216 8.217 8.300 0.181 -0.024 0.476 65 A N -2.861 119.942 122.820 -0.030 0.000 2.032 65 A HA -0.436 3.586 4.320 -0.496 0.000 0.221 65 A C 1.867 179.352 177.584 -0.166 0.000 1.165 65 A CA 2.783 54.660 52.037 -0.268 0.000 0.645 65 A CB -1.173 17.721 19.000 -0.178 0.000 0.807 65 A HN 0.186 8.364 8.150 0.046 0.000 0.453 66 N N -1.516 117.128 118.700 -0.093 0.000 2.083 66 N HA -0.322 4.468 4.740 0.084 0.000 0.190 66 N C 2.329 177.782 175.510 -0.096 0.000 1.047 66 N CA 3.198 56.209 53.050 -0.066 0.000 0.845 66 N CB 0.186 38.559 38.487 -0.190 0.000 1.025 66 N HN -0.656 7.543 8.380 -0.090 0.126 0.428 67 H N 1.584 120.593 119.070 -0.100 0.000 2.255 67 H HA -0.353 4.120 4.556 -0.138 0.000 0.290 67 H C 2.205 177.451 175.328 -0.136 0.000 1.087 67 H CA 3.585 59.544 56.048 -0.148 0.000 1.213 67 H CB -0.225 29.418 29.762 -0.199 0.000 1.349 67 H HN 0.337 8.307 8.280 -0.336 0.109 0.487 68 L N -1.021 120.178 121.223 -0.039 0.000 1.933 68 L HA -0.325 4.016 4.340 0.003 0.000 0.220 68 L C 1.177 178.147 176.870 0.167 0.000 1.078 68 L CA 2.832 57.672 54.840 0.000 0.000 0.773 68 L CB -0.575 41.418 42.059 -0.110 0.000 0.890 68 L HN -0.614 7.540 8.230 -0.128 0.000 0.434 69 F N -2.261 117.703 119.950 0.023 0.000 2.141 69 F HA -0.347 4.390 4.527 0.349 0.000 0.300 69 F C 1.917 177.828 175.800 0.184 0.000 1.079 69 F CA 2.388 60.510 58.000 0.204 0.000 1.264 69 F CB -0.114 38.995 39.000 0.183 0.000 1.011 69 F HN -0.613 7.757 8.300 0.117 0.000 0.487 70 T N 2.284 116.759 114.554 -0.132 0.000 2.643 70 T HA -0.260 3.771 4.350 -0.533 0.000 0.264 70 T C 1.628 176.244 174.700 -0.140 0.000 1.045 70 T CA 4.263 66.197 62.100 -0.276 0.000 1.155 70 T CB 0.039 68.812 68.868 -0.158 0.000 0.863 70 T HN 0.243 8.304 8.240 0.027 0.196 0.420 71 V N 0.809 120.706 119.914 -0.030 0.000 3.451 71 V HA -0.155 3.934 4.120 -0.051 0.000 0.332 71 V C -1.833 174.361 176.094 0.166 0.000 1.198 71 V CA 0.790 63.087 62.300 -0.005 0.000 1.317 71 V CB -1.438 30.334 31.823 -0.086 0.000 1.117 71 V HN -0.160 8.021 8.190 -0.015 0.000 0.421 72 F N -1.751 118.193 119.950 -0.009 0.000 3.305 72 F HA 0.101 4.734 4.527 0.177 0.000 0.292 72 F C -1.183 174.654 175.800 0.060 0.000 1.516 72 F CA -0.821 57.248 58.000 0.115 0.000 1.010 72 F CB 2.587 41.736 39.000 0.249 0.000 1.738 72 F HN -0.895 7.328 8.300 0.110 0.143 0.402 73 D N -1.386 119.121 120.400 0.178 0.000 10.226 73 D HA -0.273 4.832 4.640 0.218 -0.335 0.359 73 D C -0.825 175.451 176.300 -0.040 0.000 2.990 73 D CA 1.941 56.013 54.000 0.119 0.000 2.347 73 D CB 0.543 41.414 40.800 0.117 0.000 1.140 73 D HN 0.002 8.763 8.370 0.652 0.000 1.059 74 K N 0.072 120.516 120.400 0.073 0.000 2.645 74 K HA 0.112 4.421 4.320 -0.018 0.000 0.203 74 K C -0.575 176.070 176.600 0.076 0.000 1.653 74 K CA 0.744 57.053 56.287 0.037 0.000 1.138 74 K CB 1.490 34.014 32.500 0.040 0.000 1.515 74 K HN 0.203 8.657 8.250 0.200 -0.084 0.592 75 D N -1.349 119.137 120.400 0.143 0.000 2.340 75 D HA 0.005 4.682 4.640 0.063 0.000 0.217 75 D C -0.847 175.511 176.300 0.097 0.000 1.081 75 D CA -0.490 53.570 54.000 0.101 0.000 0.842 75 D CB -0.625 40.225 40.800 0.084 0.000 0.934 75 D HN -0.319 8.197 8.370 0.242 0.000 0.511 76 N N -3.759 114.995 118.700 0.090 0.000 2.698 76 N HA -0.386 4.373 4.740 0.031 0.000 0.258 76 N C -0.883 174.686 175.510 0.099 0.000 0.978 76 N CA 1.010 54.095 53.050 0.058 0.000 0.777 76 N CB -2.229 36.270 38.487 0.021 0.000 0.907 76 N HN 0.073 8.426 8.380 0.089 0.081 0.543 77 N N -2.043 116.763 118.700 0.176 0.000 2.322 77 N HA 0.057 4.917 4.740 0.200 0.000 0.181 77 N C 0.765 176.467 175.510 0.319 0.000 1.088 77 N CA 0.152 53.355 53.050 0.255 0.000 0.885 77 N CB 0.979 39.653 38.487 0.311 0.000 1.013 77 N HN -0.438 8.232 8.380 0.211 -0.164 0.472 78 G N -0.903 108.023 108.800 0.211 0.000 2.157 78 G HA2 -0.376 3.634 3.960 0.083 0.000 0.248 78 G HA3 -0.376 3.523 3.960 -0.102 0.000 0.248 78 G C -1.839 172.962 174.900 -0.166 0.000 0.979 78 G CA 0.133 45.257 45.100 0.041 0.000 0.650 78 G HN 0.437 8.847 8.290 0.200 0.000 0.529 79 F N -2.891 117.308 119.950 0.415 0.000 2.578 79 F HA 0.349 5.012 4.527 0.227 0.000 0.311 79 F C -1.394 174.633 175.800 0.378 0.000 1.094 79 F CA -1.165 57.025 58.000 0.317 0.000 0.923 79 F CB 3.554 42.684 39.000 0.216 0.000 1.230 79 F HN -0.833 7.713 8.300 0.506 0.058 0.450 80 I N 1.876 122.664 120.570 0.365 0.000 2.331 80 I HA 0.380 4.910 4.170 0.171 -0.257 0.292 80 I C -0.592 175.629 176.117 0.174 0.000 0.998 80 I CA -1.310 60.100 61.300 0.185 0.000 1.267 80 I CB 1.359 39.347 38.000 -0.021 0.000 1.386 80 I HN 0.840 9.177 8.210 0.212 0.000 0.476 81 H N 4.718 123.908 119.070 0.200 0.000 2.508 81 H HA 0.339 5.052 4.556 0.261 0.000 0.358 81 H C 1.127 176.539 175.328 0.139 0.000 1.212 81 H CA -2.269 53.904 56.048 0.208 0.000 1.356 81 H CB 0.929 30.821 29.762 0.216 0.000 1.525 81 H HN -0.306 7.559 8.280 -0.954 -0.157 0.578 82 F N 2.557 122.557 119.950 0.084 0.000 2.041 82 F HA -0.549 3.725 4.527 -0.422 0.000 0.296 82 F C 1.276 177.072 175.800 -0.006 0.000 1.147 82 F CA 5.343 63.290 58.000 -0.089 0.000 1.214 82 F CB 0.265 39.339 39.000 0.124 0.000 0.947 82 F HN 0.675 9.310 8.300 0.559 0.000 0.511 83 E N -3.118 117.195 120.200 0.188 0.000 2.147 83 E HA -0.475 3.846 4.350 -0.048 0.000 0.199 83 E C 2.397 178.963 176.600 -0.056 0.000 1.005 83 E CA 3.602 60.028 56.400 0.044 0.000 0.810 83 E CB -1.366 28.432 29.700 0.165 0.000 0.736 83 E HN 0.553 9.171 8.360 0.429 0.000 0.460 84 E N -0.009 120.150 120.200 -0.069 0.000 2.072 84 E HA -0.263 4.086 4.350 -0.001 0.000 0.190 84 E C 1.856 178.405 176.600 -0.084 0.000 0.982 84 E CA 2.115 58.442 56.400 -0.123 0.000 0.803 84 E CB 0.119 29.448 29.700 -0.618 0.000 0.755 84 E HN -0.319 7.942 8.360 -0.001 0.099 0.453 85 F N 1.039 120.762 119.950 -0.379 0.000 2.046 85 F HA -0.396 3.790 4.527 -0.568 0.000 0.297 85 F C 1.643 177.130 175.800 -0.521 0.000 1.123 85 F CA 3.022 60.688 58.000 -0.556 0.000 1.199 85 F CB 0.030 38.568 39.000 -0.771 0.000 0.972 85 F HN 0.421 8.436 8.300 -0.130 0.208 0.474 86 I N -4.764 115.239 120.570 -0.946 0.000 2.361 86 I HA -0.525 2.811 4.170 -1.390 0.000 0.251 86 I C 1.579 177.365 176.117 -0.551 0.000 1.133 86 I CA 3.800 64.522 61.300 -0.964 0.000 1.413 86 I CB -0.805 36.763 38.000 -0.720 0.000 1.073 86 I HN -0.197 7.601 8.210 -0.686 0.000 0.424 87 T N 3.361 117.735 114.554 -0.299 0.000 2.721 87 T HA -0.358 3.939 4.350 -0.089 0.000 0.268 87 T C 1.726 176.363 174.700 -0.104 0.000 1.038 87 T CA 4.581 66.632 62.100 -0.081 0.000 1.145 87 T CB -0.769 68.183 68.868 0.140 0.000 0.858 87 T HN -0.349 7.629 8.240 -0.275 0.096 0.459 88 V N 1.034 120.792 119.914 -0.260 0.000 2.244 88 V HA -0.405 3.511 4.120 -0.340 0.000 0.244 88 V C 1.611 177.566 176.094 -0.232 0.000 1.042 88 V CA 3.149 65.243 62.300 -0.343 0.000 1.006 88 V CB -0.698 30.886 31.823 -0.399 0.000 0.641 88 V HN -0.577 7.324 8.190 -0.314 0.101 0.446 89 L N -1.773 119.208 121.223 -0.403 0.000 2.081 89 L HA -0.366 3.911 4.340 -0.105 0.000 0.212 89 L C 2.523 179.362 176.870 -0.052 0.000 1.080 89 L CA 3.257 57.932 54.840 -0.275 0.000 0.754 89 L CB -0.313 41.379 42.059 -0.612 0.000 0.893 89 L HN -0.644 7.177 8.230 -0.681 0.000 0.433 90 S N -1.386 114.251 115.700 -0.105 0.000 2.349 90 S HA -0.386 4.355 4.470 0.453 0.000 0.216 90 S C 2.482 177.111 174.600 0.048 0.000 1.033 90 S CA 3.598 61.873 58.200 0.126 0.000 1.021 90 S CB -0.319 62.915 63.200 0.057 0.000 0.968 90 S HN 0.674 8.688 8.310 -0.269 0.134 0.426 91 T N 3.811 118.316 114.554 -0.081 0.000 2.848 91 T HA -0.326 3.933 4.350 -0.151 0.000 0.269 91 T C 0.862 175.515 174.700 -0.080 0.000 1.081 91 T CA 3.442 65.436 62.100 -0.175 0.000 1.125 91 T CB -0.124 68.466 68.868 -0.464 0.000 0.848 91 T HN -0.229 7.944 8.240 -0.113 0.000 0.503 92 T N 0.295 114.852 114.554 0.005 0.000 2.708 92 T HA -0.260 4.169 4.350 0.131 0.000 0.266 92 T C 0.236 174.975 174.700 0.065 0.000 1.037 92 T CA 3.099 65.256 62.100 0.094 0.000 1.146 92 T CB 0.244 69.203 68.868 0.152 0.000 0.865 92 T HN -0.582 7.490 8.240 -0.003 0.166 0.435 93 S N 0.369 116.089 115.700 0.032 0.000 2.509 93 S HA 0.130 4.555 4.470 -0.076 0.000 0.297 93 S C -0.342 174.118 174.600 -0.234 0.000 1.118 93 S CA -0.324 57.807 58.200 -0.115 0.000 1.074 93 S CB 1.544 64.621 63.200 -0.205 0.000 1.038 93 S HN -0.338 7.938 8.310 0.088 0.087 0.498 94 R N 1.503 121.856 120.500 -0.246 0.000 3.683 94 R HA -0.434 3.807 4.340 -0.164 0.000 0.557 94 R C -1.396 174.842 176.300 -0.103 0.000 0.304 94 R CA 1.123 57.098 56.100 -0.209 0.000 1.724 94 R CB 0.178 30.276 30.300 -0.337 0.000 1.069 94 R HN 0.038 8.187 8.270 -0.203 0.000 0.564 95 G N -1.378 107.382 108.800 -0.066 0.000 3.046 95 G HA2 0.155 4.090 3.960 -0.041 0.000 0.137 95 G HA3 0.155 4.104 3.960 -0.019 0.000 0.137 95 G C -2.099 172.790 174.900 -0.018 0.000 1.207 95 G CA 0.472 45.552 45.100 -0.034 0.000 1.218 95 G HN 0.009 8.259 8.290 -0.068 0.000 0.625 96 T N -1.193 113.359 114.554 -0.003 0.000 2.659 96 T HA 0.147 4.497 4.350 -0.001 0.000 0.182 96 T C -0.577 174.130 174.700 0.011 0.000 1.053 96 T CA -0.137 61.964 62.100 0.002 0.000 1.091 96 T CB 0.206 69.075 68.868 0.002 0.000 2.053 96 T HN -0.300 7.943 8.240 0.005 0.000 0.386 97 L N 1.063 122.294 121.223 0.014 0.000 2.970 97 L HA 0.420 4.771 4.340 0.018 0.000 0.214 97 L C 1.297 178.185 176.870 0.030 0.000 1.317 97 L CA -1.614 53.237 54.840 0.019 0.000 1.187 97 L CB 1.316 43.383 42.059 0.014 0.000 2.155 97 L HN 0.326 8.563 8.230 0.012 0.000 0.554 98 E N 0.923 121.141 120.200 0.029 0.000 2.339 98 E HA -0.480 3.899 4.350 0.048 0.000 0.201 98 E C 1.375 178.008 176.600 0.056 0.000 1.015 98 E CA 2.643 59.067 56.400 0.040 0.000 0.841 98 E CB -0.793 28.922 29.700 0.026 0.000 0.754 98 E HN 0.569 8.942 8.360 0.022 0.000 0.508 99 E N 0.201 120.429 120.200 0.047 0.000 2.108 99 E HA -0.405 3.982 4.350 0.062 0.000 0.203 99 E C 2.036 178.699 176.600 0.105 0.000 1.022 99 E CA 2.868 59.304 56.400 0.060 0.000 0.823 99 E CB -0.587 29.132 29.700 0.032 0.000 0.744 99 E HN 0.175 8.483 8.360 0.034 0.073 0.456 100 K N -3.370 117.088 120.400 0.096 0.000 2.211 100 K HA -0.192 4.235 4.320 0.178 0.000 0.203 100 K C 2.193 178.920 176.600 0.211 0.000 1.050 100 K CA 1.636 58.016 56.287 0.155 0.000 0.945 100 K CB -0.413 32.150 32.500 0.105 0.000 0.732 100 K HN -0.438 7.849 8.250 0.067 0.003 0.451 101 L N 0.044 121.354 121.223 0.144 0.000 2.023 101 L HA -0.263 4.160 4.340 0.140 0.000 0.205 101 L C 1.670 178.612 176.870 0.120 0.000 1.073 101 L CA 3.184 58.103 54.840 0.132 0.000 0.745 101 L CB -0.207 41.915 42.059 0.104 0.000 0.900 101 L HN 0.110 8.255 8.230 0.111 0.151 0.435 102 S N -0.271 115.494 115.700 0.109 0.000 2.359 102 S HA -0.359 4.122 4.470 0.019 0.000 0.224 102 S C 1.580 176.265 174.600 0.142 0.000 1.035 102 S CA 3.078 61.328 58.200 0.083 0.000 1.018 102 S CB -0.738 62.504 63.200 0.069 0.000 0.876 102 S HN 0.120 8.491 8.310 0.101 0.000 0.448 103 W N 2.665 123.975 121.300 0.017 0.000 2.333 103 W HA -0.432 4.246 4.660 0.029 0.000 0.316 103 W C 0.904 177.412 176.519 -0.019 0.000 1.215 103 W CA 4.312 61.670 57.345 0.022 0.000 1.278 103 W CB -0.153 29.336 29.460 0.047 0.000 1.154 103 W HN -0.624 7.755 8.180 0.331 0.000 0.486 104 A N -1.546 121.265 122.820 -0.015 0.000 1.903 104 A HA -0.485 3.452 4.320 -0.639 0.000 0.219 104 A C 1.720 178.936 177.584 -0.614 0.000 1.191 104 A CA 3.064 54.860 52.037 -0.402 0.000 0.638 104 A CB -1.039 17.833 19.000 -0.214 0.000 0.823 104 A HN -0.546 7.778 8.150 0.290 0.000 0.451 105 F N 0.026 119.609 119.950 -0.611 0.000 2.043 105 F HA -0.549 3.316 4.527 -1.102 0.000 0.297 105 F C 1.581 177.085 175.800 -0.493 0.000 1.118 105 F CA 4.096 61.658 58.000 -0.730 0.000 1.202 105 F CB -0.120 38.545 39.000 -0.558 0.000 0.965 105 F HN -0.527 7.680 8.300 -0.156 0.000 0.482 106 E N -1.585 118.452 120.200 -0.272 0.000 2.147 106 E HA -0.417 3.756 4.350 -0.295 0.000 0.199 106 E C 1.363 177.691 176.600 -0.453 0.000 1.005 106 E CA 2.731 58.940 56.400 -0.318 0.000 0.810 106 E CB -0.349 29.246 29.700 -0.175 0.000 0.736 106 E HN -0.638 7.706 8.360 -0.026 0.000 0.460 107 L N -2.661 118.218 121.223 -0.574 0.000 2.093 107 L HA -0.266 3.821 4.340 -0.421 0.000 0.208 107 L C 1.336 177.987 176.870 -0.365 0.000 1.085 107 L CA 2.033 56.565 54.840 -0.513 0.000 0.755 107 L CB 0.288 41.911 42.059 -0.726 0.000 0.904 107 L HN -0.802 6.909 8.230 -0.677 0.113 0.435 108 Y N -4.613 115.265 120.300 -0.703 0.000 2.373 108 Y HA -0.225 3.950 4.550 -0.626 0.000 0.293 108 Y C 1.681 177.240 175.900 -0.568 0.000 1.129 108 Y CA -0.601 57.114 58.100 -0.642 0.000 1.226 108 Y CB -0.118 37.963 38.460 -0.632 0.000 1.000 108 Y HN -0.522 7.412 8.280 -0.420 0.094 0.549 109 D N 0.146 120.248 120.400 -0.497 0.000 2.671 109 D HA -0.005 4.610 4.640 -0.349 -0.184 0.228 109 D C 0.427 176.575 176.300 -0.254 0.000 1.102 109 D CA -1.092 52.662 54.000 -0.410 0.000 1.044 109 D CB -1.619 38.877 40.800 -0.506 0.000 1.113 109 D HN -0.540 7.333 8.370 -0.616 0.127 0.480 110 L N 2.041 123.123 121.223 -0.235 0.000 2.113 110 L HA -0.357 3.906 4.340 -0.129 0.000 0.221 110 L C 0.407 177.221 176.870 -0.093 0.000 1.084 110 L CA 2.591 57.343 54.840 -0.147 0.000 0.787 110 L CB 0.180 42.162 42.059 -0.128 0.000 0.893 110 L HN 0.115 8.109 8.230 -0.284 0.065 0.440 111 N N -2.636 116.019 118.700 -0.076 0.000 1.824 111 N HA -0.105 4.636 4.740 0.002 0.000 0.236 111 N C -0.565 175.005 175.510 0.101 0.000 1.097 111 N CA 1.040 54.098 53.050 0.013 0.000 1.053 111 N CB 0.577 39.083 38.487 0.030 0.000 1.409 111 N HN -0.270 8.029 8.380 -0.108 0.016 0.500 112 H N -6.301 112.724 119.070 -0.075 0.000 3.383 112 H HA 0.129 4.732 4.556 -0.074 -0.092 0.251 112 H C 0.035 175.353 175.328 -0.017 0.000 1.073 112 H CA -0.637 55.378 56.048 -0.056 0.000 1.094 112 H CB 0.302 30.034 29.762 -0.050 0.000 2.124 112 H HN 0.006 8.345 8.280 0.099 0.000 0.812 113 D N 2.982 123.151 120.400 -0.385 0.000 2.488 113 D HA -0.150 4.130 4.640 -0.599 0.000 0.260 113 D C 0.932 177.187 176.300 -0.076 0.000 1.273 113 D CA -0.503 53.293 54.000 -0.341 0.000 0.912 113 D CB -2.463 38.233 40.800 -0.173 0.000 0.982 113 D HN -0.295 7.976 8.370 -0.164 0.000 0.492 114 G N -1.720 107.022 108.800 -0.097 0.000 2.243 114 G HA2 -0.494 3.484 3.960 0.031 0.000 0.276 114 G HA3 -0.494 3.407 3.960 -0.098 0.000 0.276 114 G C -1.861 172.988 174.900 -0.085 0.000 0.997 114 G CA 1.329 46.402 45.100 -0.045 0.000 0.693 114 G HN 0.610 8.634 8.290 -0.157 0.172 0.529 115 Y N -2.854 117.487 120.300 0.070 0.000 2.442 115 Y HA 0.321 5.218 4.550 0.307 -0.162 0.344 115 Y C -1.168 174.793 175.900 0.101 0.000 0.976 115 Y CA -0.455 57.742 58.100 0.161 0.000 1.040 115 Y CB 3.425 41.934 38.460 0.082 0.000 1.228 115 Y HN -1.097 7.276 8.280 0.117 -0.023 0.451 116 I N 1.259 122.031 120.570 0.337 0.000 2.834 116 I HA 0.247 4.766 4.170 -0.036 -0.371 0.305 116 I C -0.165 176.126 176.117 0.291 0.000 1.008 116 I CA -0.892 60.501 61.300 0.155 0.000 1.273 116 I CB 2.837 40.926 38.000 0.148 0.000 1.432 116 I HN 1.099 9.481 8.210 0.495 0.125 0.557 117 T N 2.760 117.357 114.554 0.070 0.000 2.912 117 T HA 0.476 4.952 4.350 0.210 0.000 0.299 117 T C 0.877 175.273 174.700 -0.507 0.000 1.052 117 T CA -1.761 60.269 62.100 -0.116 0.000 0.996 117 T CB 2.577 71.242 68.868 -0.338 0.000 1.070 117 T HN 0.269 8.733 8.240 -0.053 -0.256 0.465 118 F N 3.574 123.213 119.950 -0.519 0.000 2.141 118 F HA -0.495 3.125 4.527 -1.512 0.000 0.300 118 F C 0.619 176.162 175.800 -0.429 0.000 1.079 118 F CA 4.270 61.737 58.000 -0.889 0.000 1.264 118 F CB -1.095 37.490 39.000 -0.691 0.000 1.011 118 F HN 0.651 8.941 8.300 -0.016 0.000 0.487 119 D N -0.370 119.434 120.400 -0.993 0.000 2.117 119 D HA -0.387 4.110 4.640 -0.239 0.000 0.197 119 D C 2.285 178.367 176.300 -0.363 0.000 0.987 119 D CA 3.650 57.344 54.000 -0.510 0.000 0.829 119 D CB -0.738 39.714 40.800 -0.580 0.000 0.961 119 D HN 0.276 7.315 8.370 -2.196 0.014 0.460 120 E N -0.375 119.585 120.200 -0.401 0.000 2.268 120 E HA -0.245 3.933 4.350 -0.287 0.000 0.195 120 E C 2.518 178.887 176.600 -0.384 0.000 0.995 120 E CA 2.379 58.580 56.400 -0.332 0.000 0.836 120 E CB -0.249 29.276 29.700 -0.293 0.000 0.763 120 E HN -0.185 7.783 8.360 -0.497 0.094 0.491 121 M N -0.334 119.054 119.600 -0.353 0.000 2.102 121 M HA -0.153 4.067 4.480 -0.434 0.000 0.259 121 M C 2.270 178.403 176.300 -0.278 0.000 1.083 121 M CA 1.674 56.780 55.300 -0.323 0.000 1.141 121 M CB -0.614 31.849 32.600 -0.229 0.000 1.318 121 M HN -0.117 7.788 8.290 -0.377 0.159 0.421 122 L N -0.535 120.566 121.223 -0.203 0.000 2.051 122 L HA -0.403 3.879 4.340 -0.097 0.000 0.214 122 L C 2.244 179.035 176.870 -0.132 0.000 1.076 122 L CA 3.789 58.552 54.840 -0.129 0.000 0.758 122 L CB -0.801 41.205 42.059 -0.088 0.000 0.890 122 L HN -0.088 8.010 8.230 -0.219 0.000 0.433 123 T N 0.606 115.060 114.554 -0.167 0.000 2.622 123 T HA -0.440 3.881 4.350 -0.049 0.000 0.266 123 T C 1.800 176.383 174.700 -0.194 0.000 1.047 123 T CA 5.590 67.613 62.100 -0.127 0.000 1.159 123 T CB -0.242 68.551 68.868 -0.126 0.000 0.863 123 T HN -0.579 7.540 8.240 -0.194 0.004 0.422 124 I N 0.282 120.588 120.570 -0.440 0.000 2.110 124 I HA -0.402 3.445 4.170 -0.539 0.000 0.236 124 I C 1.901 177.916 176.117 -0.171 0.000 1.068 124 I CA 3.020 63.995 61.300 -0.542 0.000 1.333 124 I CB -1.099 36.269 38.000 -1.055 0.000 1.054 124 I HN -0.668 7.249 8.210 -0.489 0.000 0.402 125 V N 0.198 119.976 119.914 -0.226 0.000 2.363 125 V HA -0.497 3.716 4.120 0.154 0.000 0.254 125 V C 2.055 178.228 176.094 0.132 0.000 1.074 125 V CA 4.082 66.401 62.300 0.032 0.000 1.069 125 V CB -1.302 30.529 31.823 0.012 0.000 0.659 125 V HN 0.341 8.197 8.190 -0.404 0.091 0.455 126 A N -2.272 120.578 122.820 0.050 0.000 1.969 126 A HA -0.213 4.164 4.320 0.096 0.000 0.218 126 A C 2.055 179.723 177.584 0.139 0.000 1.169 126 A CA 3.271 55.358 52.037 0.083 0.000 0.635 126 A CB -1.060 17.955 19.000 0.025 0.000 0.810 126 A HN 0.153 8.165 8.150 -0.030 0.120 0.445 127 S N -0.403 115.386 115.700 0.150 0.000 2.356 127 S HA -0.281 4.285 4.470 0.160 0.000 0.223 127 S C 1.628 176.339 174.600 0.185 0.000 1.032 127 S CA 4.076 62.397 58.200 0.203 0.000 1.005 127 S CB -0.226 63.153 63.200 0.299 0.000 0.867 127 S HN 0.041 8.274 8.310 0.105 0.140 0.449 128 V N 0.828 120.856 119.914 0.189 0.000 2.515 128 V HA -0.448 3.608 4.120 -0.107 0.000 0.250 128 V C 0.649 176.724 176.094 -0.032 0.000 1.058 128 V CA 3.081 65.386 62.300 0.008 0.000 1.064 128 V CB -0.019 31.840 31.823 0.059 0.000 0.675 128 V HN -0.697 7.667 8.190 0.291 0.000 0.461 129 Y N -0.678 119.626 120.300 0.006 0.000 2.206 129 Y HA -0.390 4.151 4.550 -0.015 0.000 0.292 129 Y C 1.420 177.305 175.900 -0.025 0.000 1.123 129 Y CA 3.680 61.776 58.100 -0.006 0.000 1.142 129 Y CB 0.361 38.833 38.460 0.020 0.000 1.006 129 Y HN -0.840 7.506 8.280 0.281 0.102 0.518 130 K N -2.616 117.886 120.400 0.170 0.000 2.574 130 K HA -0.338 4.056 4.320 0.122 0.000 0.193 130 K C 0.644 177.246 176.600 0.003 0.000 1.035 130 K CA 1.425 57.768 56.287 0.094 0.000 0.982 130 K CB 0.045 32.595 32.500 0.083 0.000 0.795 130 K HN -0.064 8.302 8.250 0.192 0.000 0.491 131 M N -1.577 117.964 119.600 -0.099 0.000 2.473 131 M HA -0.077 4.287 4.480 -0.192 0.000 0.230 131 M C -0.233 175.872 176.300 -0.324 0.000 1.226 131 M CA 2.599 57.737 55.300 -0.269 0.000 1.235 131 M CB 1.240 33.520 32.600 -0.533 0.000 1.162 131 M HN -0.878 7.143 8.290 -0.084 0.219 0.486 132 M N -1.940 117.389 119.600 -0.453 0.000 2.202 132 M HA -0.022 4.072 4.480 -0.644 0.000 0.316 132 M C 0.378 176.579 176.300 -0.165 0.000 1.138 132 M CA 0.304 55.337 55.300 -0.445 0.000 1.151 132 M CB 0.112 32.434 32.600 -0.463 0.000 1.422 132 M HN -0.753 7.263 8.290 -0.456 0.000 0.471 133 G N -0.846 107.947 108.800 -0.011 0.000 2.882 133 G HA2 0.189 4.148 3.960 -0.002 0.000 0.164 133 G HA3 0.189 4.186 3.960 0.062 0.000 0.164 133 G C -0.594 174.278 174.900 -0.047 0.000 1.429 133 G CA -0.295 44.810 45.100 0.008 0.000 1.059 133 G HN 0.017 8.367 8.290 0.101 0.000 0.581 134 S N -2.440 113.253 115.700 -0.012 0.000 2.631 134 S HA 0.106 4.557 4.470 -0.032 0.000 0.248 134 S C 0.472 175.072 174.600 0.001 0.000 0.949 134 S CA 1.036 59.225 58.200 -0.019 0.000 1.470 134 S CB 1.046 64.236 63.200 -0.017 0.000 1.248 134 S HN 0.018 8.332 8.310 0.007 0.000 0.662 135 M N 2.058 121.658 119.600 0.001 0.000 2.558 135 M HA -0.039 4.440 4.480 -0.001 0.000 0.255 135 M C -0.197 176.098 176.300 -0.008 0.000 1.113 135 M CA 0.208 55.504 55.300 -0.007 0.000 1.097 135 M CB -0.332 32.255 32.600 -0.022 0.000 1.426 135 M HN -0.132 8.159 8.290 0.001 0.000 0.488 136 V N -7.024 112.891 119.914 0.001 0.000 3.573 136 V HA -0.044 4.071 4.120 -0.008 0.000 0.270 136 V C 0.201 176.301 176.094 0.010 0.000 1.221 136 V CA 0.846 63.149 62.300 0.005 0.000 1.163 136 V CB -0.384 31.455 31.823 0.027 0.000 0.847 136 V HN -0.305 7.840 8.190 0.009 0.050 0.468 137 T N 0.568 115.126 114.554 0.008 0.000 3.266 137 T HA -0.140 4.218 4.350 0.012 0.000 0.215 137 T C 0.115 174.819 174.700 0.007 0.000 0.957 137 T CA 2.041 64.147 62.100 0.009 0.000 1.730 137 T CB 0.502 69.375 68.868 0.008 0.000 1.427 137 T HN -0.505 7.645 8.240 0.005 0.093 0.445 138 L N -0.856 120.371 121.223 0.007 0.000 1.472 138 L HA 0.040 4.382 4.340 0.003 0.000 0.115 138 L C -1.388 175.486 176.870 0.006 0.000 1.417 138 L CA 1.316 56.160 54.840 0.006 0.000 1.136 138 L CB 0.835 42.898 42.059 0.007 0.000 2.347 138 L HN 0.162 8.397 8.230 0.008 0.000 0.464 139 N N 0.865 119.570 118.700 0.009 0.000 2.419 139 N HA 0.121 4.866 4.740 0.009 0.000 0.264 139 N C -1.101 174.417 175.510 0.013 0.000 1.031 139 N CA -0.373 52.684 53.050 0.011 0.000 0.951 139 N CB 0.721 39.216 38.487 0.013 0.000 1.101 139 N HN -0.052 8.335 8.380 0.011 0.000 0.488 140 E N 3.161 123.368 120.200 0.012 0.000 2.608 140 E HA -0.277 4.082 4.350 0.014 0.000 0.259 140 E C -1.179 175.435 176.600 0.024 0.000 0.951 140 E CA 0.826 57.235 56.400 0.015 0.000 0.945 140 E CB 0.071 29.778 29.700 0.012 0.000 0.916 140 E HN 0.347 8.712 8.360 0.009 0.000 0.477 141 D N 3.062 123.481 120.400 0.032 0.000 2.769 141 D HA 0.015 4.680 4.640 0.042 0.000 0.219 141 D C -1.817 174.526 176.300 0.070 0.000 1.245 141 D CA -0.436 53.593 54.000 0.047 0.000 0.801 141 D CB 1.572 42.400 40.800 0.048 0.000 1.598 141 D HN 0.018 8.406 8.370 0.031 0.000 0.485 142 E N 0.367 120.615 120.200 0.081 0.000 2.423 142 E HA 0.093 4.549 4.350 0.177 0.000 0.280 142 E C -1.863 174.793 176.600 0.094 0.000 1.030 142 E CA -0.777 55.693 56.400 0.115 0.000 0.812 142 E CB 1.791 31.540 29.700 0.082 0.000 1.313 142 E HN 0.123 8.522 8.360 0.065 0.000 0.456 143 A N 3.371 126.241 122.820 0.083 0.000 2.528 143 A HA 0.283 4.590 4.320 -0.022 0.000 0.306 143 A C -1.392 176.066 177.584 -0.210 0.000 1.042 143 A CA 0.133 52.152 52.037 -0.030 0.000 0.950 143 A CB 1.591 20.592 19.000 0.002 0.000 1.374 143 A HN 0.365 8.602 8.150 0.145 0.000 0.387 144 T N 2.954 117.409 114.554 -0.166 0.000 2.905 144 T HA 0.008 4.200 4.350 -0.263 0.000 0.299 144 T C 0.456 174.943 174.700 -0.354 0.000 1.024 144 T CA -2.522 59.437 62.100 -0.235 0.000 1.151 144 T CB 0.839 69.634 68.868 -0.121 0.000 0.987 144 T HN 0.049 8.233 8.240 -0.093 0.000 0.535 145 P HA -0.325 3.732 4.420 -0.604 0.000 0.219 145 P C 1.181 178.364 177.300 -0.195 0.000 1.144 145 P CA 1.936 64.759 63.100 -0.462 0.000 0.806 145 P CB -0.146 31.352 31.700 -0.337 0.000 0.771 146 E N -1.218 118.892 120.200 -0.151 0.000 2.147 146 E HA -0.441 3.870 4.350 -0.065 0.000 0.199 146 E C 2.039 178.604 176.600 -0.058 0.000 1.005 146 E CA 3.213 59.564 56.400 -0.081 0.000 0.810 146 E CB -0.258 29.402 29.700 -0.067 0.000 0.736 146 E HN -0.189 8.011 8.360 -0.172 0.057 0.460 147 M N -0.770 118.787 119.600 -0.071 0.000 2.081 147 M HA -0.254 4.214 4.480 -0.020 0.000 0.261 147 M C 1.862 178.156 176.300 -0.011 0.000 1.075 147 M CA 2.738 58.017 55.300 -0.035 0.000 1.133 147 M CB -0.103 32.476 32.600 -0.036 0.000 1.330 147 M HN 0.324 8.439 8.290 -0.107 0.111 0.414 148 R N -0.575 119.911 120.500 -0.023 0.000 2.159 148 R HA -0.293 4.080 4.340 0.056 0.000 0.237 148 R C 2.656 178.992 176.300 0.059 0.000 1.131 148 R CA 2.965 59.088 56.100 0.038 0.000 0.982 148 R CB -0.682 29.664 30.300 0.075 0.000 0.868 148 R HN -0.415 7.810 8.270 -0.075 0.000 0.453 149 V N 1.007 120.936 119.914 0.024 0.000 2.270 149 V HA -0.576 3.592 4.120 0.081 0.000 0.245 149 V C 1.287 177.432 176.094 0.085 0.000 1.043 149 V CA 4.696 67.025 62.300 0.048 0.000 1.014 149 V CB -0.220 31.600 31.823 -0.006 0.000 0.645 149 V HN 0.822 8.766 8.190 -0.024 0.233 0.447 150 K N -1.504 118.929 120.400 0.055 0.000 2.280 150 K HA -0.340 4.043 4.320 0.104 0.000 0.202 150 K C 2.541 179.198 176.600 0.095 0.000 1.047 150 K CA 3.305 59.638 56.287 0.076 0.000 0.942 150 K CB -0.432 32.089 32.500 0.035 0.000 0.739 150 K HN -0.514 7.750 8.250 0.023 0.000 0.457 151 K N 0.077 120.525 120.400 0.080 0.000 2.098 151 K HA -0.116 4.237 4.320 0.055 0.000 0.203 151 K C 2.099 178.753 176.600 0.090 0.000 1.051 151 K CA 1.814 58.143 56.287 0.070 0.000 0.957 151 K CB -0.507 32.026 32.500 0.056 0.000 0.738 151 K HN -0.523 7.617 8.250 0.068 0.150 0.447 152 I N 0.195 120.842 120.570 0.129 0.000 2.179 152 I HA -0.532 3.698 4.170 0.099 0.000 0.242 152 I C 1.504 177.738 176.117 0.195 0.000 1.088 152 I CA 4.337 65.730 61.300 0.155 0.000 1.357 152 I CB 0.084 38.214 38.000 0.216 0.000 1.051 152 I HN 0.069 8.173 8.210 0.127 0.183 0.409 153 F N -0.787 119.199 119.950 0.061 0.000 2.206 153 F HA -0.337 4.245 4.527 0.092 0.000 0.298 153 F C 1.415 177.235 175.800 0.033 0.000 1.090 153 F CA 3.146 61.188 58.000 0.070 0.000 1.323 153 F CB -0.013 39.042 39.000 0.091 0.000 1.028 153 F HN -0.121 8.391 8.300 0.353 0.000 0.492 154 K N -0.709 119.761 120.400 0.116 0.000 2.160 154 K HA -0.329 3.992 4.320 0.001 0.000 0.206 154 K C 1.790 178.356 176.600 -0.057 0.000 1.047 154 K CA 2.578 58.873 56.287 0.013 0.000 0.930 154 K CB -0.795 31.725 32.500 0.034 0.000 0.720 154 K HN -0.561 7.800 8.250 0.185 0.000 0.450 155 L N -3.680 117.509 121.223 -0.056 0.000 2.416 155 L HA -0.006 4.288 4.340 -0.078 0.000 0.216 155 L C 1.881 178.656 176.870 -0.158 0.000 1.098 155 L CA 1.379 56.166 54.840 -0.088 0.000 0.840 155 L CB -0.200 41.822 42.059 -0.063 0.000 0.981 155 L HN -0.593 7.609 8.230 -0.014 0.019 0.462 156 M N -1.528 117.943 119.600 -0.215 0.000 2.191 156 M HA -0.168 4.116 4.480 -0.327 0.000 0.262 156 M C 1.623 177.743 176.300 -0.300 0.000 1.083 156 M CA 2.864 57.979 55.300 -0.308 0.000 1.154 156 M CB 0.307 32.722 32.600 -0.308 0.000 1.344 156 M HN -0.704 7.362 8.290 -0.174 0.119 0.431 157 D N 0.028 120.152 120.400 -0.459 0.000 3.134 157 D HA 0.160 4.661 4.640 -0.232 0.000 0.248 157 D C -0.551 175.626 176.300 -0.205 0.000 1.273 157 D CA -1.361 52.417 54.000 -0.369 0.000 0.904 157 D CB -1.551 38.868 40.800 -0.635 0.000 1.089 157 D HN -0.084 7.915 8.370 -0.618 0.000 0.478 158 K N -0.459 119.852 120.400 -0.148 0.000 2.878 158 K HA -0.066 4.199 4.320 -0.091 0.000 0.242 158 K C -0.840 175.721 176.600 -0.064 0.000 0.985 158 K CA 0.401 56.632 56.287 -0.094 0.000 1.168 158 K CB -2.064 30.388 32.500 -0.080 0.000 0.993 158 K HN -0.355 7.714 8.250 -0.156 0.087 0.476 159 N N -2.882 115.782 118.700 -0.060 0.000 2.067 159 N HA -0.028 4.697 4.740 -0.025 0.000 0.227 159 N C -1.522 173.973 175.510 -0.025 0.000 1.348 159 N CA -0.748 52.285 53.050 -0.028 0.000 0.879 159 N CB 0.365 38.850 38.487 -0.004 0.000 1.109 159 N HN -0.317 7.857 8.380 -0.084 0.156 0.501 160 E N 0.950 121.123 120.200 -0.044 0.000 5.927 160 E HA -0.377 4.029 4.350 -0.056 -0.089 0.230 160 E C -1.644 174.938 176.600 -0.030 0.000 1.566 160 E CA 1.361 57.735 56.400 -0.043 0.000 1.286 160 E CB -0.828 28.850 29.700 -0.037 0.000 0.975 160 E HN -0.442 7.878 8.360 -0.067 0.000 0.314 161 D N 2.200 122.573 120.400 -0.045 0.000 2.738 161 D HA 0.116 4.734 4.640 -0.036 0.000 0.345 161 D C 0.477 176.657 176.300 -0.200 0.000 1.465 161 D CA -0.511 53.464 54.000 -0.042 0.000 0.935 161 D CB 0.706 41.533 40.800 0.045 0.000 1.543 161 D HN -0.038 8.471 8.370 -0.059 -0.173 0.399 162 G N 0.581 109.229 108.800 -0.252 0.000 3.163 162 G HA2 -0.489 3.314 3.960 -0.261 0.000 0.227 162 G HA3 -0.489 2.858 3.960 -1.021 0.000 0.227 162 G C -1.598 173.064 174.900 -0.397 0.000 1.300 162 G CA 1.449 46.232 45.100 -0.528 0.000 0.867 162 G HN 0.100 8.311 8.290 -0.133 0.000 0.533 163 Y N -1.468 118.953 120.300 0.202 0.000 2.524 163 Y HA 0.612 5.534 4.550 0.463 -0.094 0.344 163 Y C -1.133 174.991 175.900 0.374 0.000 1.012 163 Y CA -2.401 55.876 58.100 0.295 0.000 1.068 163 Y CB 2.710 41.231 38.460 0.103 0.000 1.249 163 Y HN -0.205 7.718 8.280 -0.403 0.115 0.468 164 I N 1.173 122.149 120.570 0.677 0.000 2.569 164 I HA 0.360 4.835 4.170 0.510 0.000 0.296 164 I C -1.350 175.109 176.117 0.570 0.000 1.028 164 I CA -2.484 59.151 61.300 0.558 0.000 1.082 164 I CB 3.645 41.847 38.000 0.336 0.000 1.264 164 I HN 0.127 8.755 8.210 0.697 0.000 0.429 165 T N 7.273 121.973 114.554 0.244 0.000 2.927 165 T HA 0.521 4.922 4.350 -0.174 -0.155 0.281 165 T C 0.962 175.508 174.700 -0.255 0.000 0.998 165 T CA -1.788 60.182 62.100 -0.216 0.000 1.019 165 T CB 1.381 69.880 68.868 -0.614 0.000 1.061 165 T HN -0.156 8.475 8.240 0.289 -0.218 0.518 166 L N 2.752 123.375 121.223 -1.000 0.000 2.021 166 L HA -0.413 2.458 4.340 -2.447 0.000 0.215 166 L C 0.591 177.135 176.870 -0.543 0.000 1.074 166 L CA 4.120 57.970 54.840 -1.650 0.000 0.760 166 L CB -0.253 40.819 42.059 -1.644 0.000 0.889 166 L HN 0.545 8.269 8.230 -0.844 0.000 0.433 167 D N -2.120 118.058 120.400 -0.370 0.000 2.154 167 D HA -0.475 4.064 4.640 -0.168 0.000 0.190 167 D C 2.615 178.860 176.300 -0.093 0.000 1.003 167 D CA 3.801 57.692 54.000 -0.181 0.000 0.849 167 D CB -0.932 39.786 40.800 -0.136 0.000 0.942 167 D HN 0.351 8.470 8.370 -0.417 0.000 0.446 168 E N -0.966 119.202 120.200 -0.054 0.000 2.153 168 E HA -0.301 4.034 4.350 -0.025 0.000 0.194 168 E C 2.287 178.891 176.600 0.008 0.000 0.988 168 E CA 2.366 58.762 56.400 -0.006 0.000 0.811 168 E CB -0.277 29.446 29.700 0.038 0.000 0.746 168 E HN -0.554 7.761 8.360 -0.075 0.000 0.466 169 F N 1.296 121.190 119.950 -0.093 0.000 2.051 169 F HA -0.305 4.231 4.527 0.014 0.000 0.296 169 F C 2.143 177.909 175.800 -0.057 0.000 1.122 169 F CA 4.030 62.008 58.000 -0.036 0.000 1.201 169 F CB 0.070 39.073 39.000 0.004 0.000 0.978 169 F HN -0.727 7.536 8.300 0.140 0.121 0.472 170 R N -2.772 117.792 120.500 0.108 0.000 2.127 170 R HA -0.454 3.934 4.340 0.081 0.000 0.238 170 R C 2.543 178.836 176.300 -0.013 0.000 1.134 170 R CA 3.559 59.683 56.100 0.039 0.000 0.975 170 R CB -0.525 29.770 30.300 -0.010 0.000 0.865 170 R HN -0.007 8.305 8.270 0.069 0.000 0.447 171 E N -0.022 120.158 120.200 -0.034 0.000 2.005 171 E HA -0.218 4.111 4.350 -0.035 0.000 0.191 171 E C 2.340 178.900 176.600 -0.067 0.000 0.987 171 E CA 2.530 58.903 56.400 -0.045 0.000 0.814 171 E CB -0.243 29.431 29.700 -0.044 0.000 0.772 171 E HN -0.554 7.686 8.360 -0.031 0.102 0.453 172 G N -2.362 106.378 108.800 -0.100 0.000 2.479 172 G HA2 -0.268 3.635 3.960 -0.095 0.000 0.220 172 G HA3 -0.268 3.594 3.960 -0.163 0.000 0.220 172 G C 0.832 175.644 174.900 -0.147 0.000 1.115 172 G CA 2.003 47.025 45.100 -0.129 0.000 0.757 172 G HN -0.088 8.144 8.290 -0.097 0.000 0.560 173 S N -0.570 115.030 115.700 -0.166 0.000 2.315 173 S HA -0.138 4.240 4.470 -0.154 0.000 0.211 173 S C 1.145 175.715 174.600 -0.051 0.000 1.029 173 S CA 2.194 60.315 58.200 -0.133 0.000 0.956 173 S CB 0.721 63.850 63.200 -0.118 0.000 0.918 173 S HN -0.194 7.983 8.310 -0.159 0.038 0.470 174 K N 0.593 120.979 120.400 -0.024 0.000 2.189 174 K HA -0.259 4.064 4.320 0.006 0.000 0.207 174 K C 1.238 177.829 176.600 -0.015 0.000 1.046 174 K CA 2.137 58.420 56.287 -0.007 0.000 0.928 174 K CB -0.255 32.243 32.500 -0.004 0.000 0.720 174 K HN -0.527 7.610 8.250 -0.020 0.101 0.458 175 V N -2.314 117.583 119.914 -0.028 0.000 2.561 175 V HA -0.164 3.946 4.120 -0.017 0.000 0.206 175 V C -0.017 176.061 176.094 -0.026 0.000 1.143 175 V CA 1.493 63.778 62.300 -0.025 0.000 1.198 175 V CB 0.286 32.091 31.823 -0.031 0.000 0.784 175 V HN -0.565 7.575 8.190 -0.039 0.026 0.494 176 D N 0.097 120.475 120.400 -0.036 0.000 4.265 176 D HA -0.147 4.479 4.640 -0.025 0.000 0.234 176 D C -1.299 174.988 176.300 -0.023 0.000 1.386 176 D CA 0.482 54.463 54.000 -0.032 0.000 0.885 176 D CB 0.278 41.049 40.800 -0.048 0.000 1.239 176 D HN -0.039 8.306 8.370 -0.042 0.000 0.681 177 P HA 0.004 4.425 4.420 0.001 0.000 0.259 177 P C -1.679 175.624 177.300 0.005 0.000 1.635 177 P CA 0.163 63.263 63.100 -0.001 0.000 1.199 177 P CB -0.962 30.739 31.700 0.003 0.000 1.850 178 S N 1.184 116.887 115.700 0.006 0.000 3.299 178 S HA 0.052 4.537 4.470 0.026 0.000 0.213 178 S C 0.625 175.241 174.600 0.028 0.000 0.997 178 S CA 1.404 59.615 58.200 0.018 0.000 1.189 178 S CB 1.372 64.579 63.200 0.011 0.000 1.106 178 S HN 0.113 8.400 8.310 -0.000 0.022 0.403 179 I N 3.132 123.707 120.570 0.007 0.000 2.567 179 I HA -0.444 3.754 4.170 0.047 0.000 0.257 179 I C 0.862 177.007 176.117 0.047 0.000 1.184 179 I CA 3.767 65.076 61.300 0.015 0.000 1.451 179 I CB -0.128 37.832 38.000 -0.066 0.000 1.089 179 I HN -0.741 7.461 8.210 -0.014 0.000 0.441 180 I N -0.031 120.561 120.570 0.036 0.000 2.226 180 I HA -0.386 3.828 4.170 0.073 0.000 0.245 180 I C 1.451 177.617 176.117 0.082 0.000 1.100 180 I CA 3.479 64.815 61.300 0.060 0.000 1.374 180 I CB -0.130 37.896 38.000 0.043 0.000 1.057 180 I HN -0.038 8.147 8.210 0.018 0.035 0.413 181 G N -1.141 107.702 108.800 0.071 0.000 2.586 181 G HA2 -0.510 3.491 3.960 0.068 0.000 0.218 181 G HA3 -0.510 3.492 3.960 0.070 0.000 0.218 181 G C 0.543 175.507 174.900 0.107 0.000 1.216 181 G CA 2.351 47.497 45.100 0.077 0.000 0.786 181 G HN -0.505 7.819 8.290 0.057 0.000 0.583 182 A N 1.812 124.711 122.820 0.131 0.000 1.845 182 A HA -0.192 4.231 4.320 0.171 0.000 0.215 182 A C 1.813 179.540 177.584 0.237 0.000 1.195 182 A CA 2.670 54.818 52.037 0.185 0.000 0.616 182 A CB -0.757 18.367 19.000 0.207 0.000 0.832 182 A HN -0.754 7.466 8.150 0.117 0.000 0.443 183 L N -1.444 119.919 121.223 0.233 0.000 2.137 183 L HA -0.355 4.198 4.340 0.356 0.000 0.213 183 L C 1.643 178.649 176.870 0.226 0.000 1.085 183 L CA 2.784 57.773 54.840 0.248 0.000 0.760 183 L CB -0.278 41.890 42.059 0.181 0.000 0.893 183 L HN -0.090 8.256 8.230 0.193 0.000 0.434 184 N N -0.940 117.869 118.700 0.182 0.000 2.207 184 N HA -0.244 4.603 4.740 0.178 0.000 0.182 184 N C 2.106 177.727 175.510 0.185 0.000 1.020 184 N CA 2.676 55.826 53.050 0.168 0.000 0.858 184 N CB 0.082 38.639 38.487 0.115 0.000 0.991 184 N HN 0.086 8.340 8.380 0.158 0.220 0.427 185 L N -0.185 121.136 121.223 0.163 0.000 2.151 185 L HA -0.404 3.971 4.340 0.059 0.000 0.215 185 L C 1.645 178.606 176.870 0.152 0.000 1.084 185 L CA 3.057 57.963 54.840 0.110 0.000 0.764 185 L CB -1.087 41.017 42.059 0.075 0.000 0.891 185 L HN -0.068 8.165 8.230 0.157 0.091 0.435 186 Y N -1.863 118.547 120.300 0.183 0.000 2.177 186 Y HA -0.387 4.333 4.550 0.284 0.000 0.291 186 Y C 1.692 177.746 175.900 0.257 0.000 1.117 186 Y CA 2.589 60.837 58.100 0.247 0.000 1.114 186 Y CB 0.536 39.176 38.460 0.300 0.000 1.017 186 Y HN -0.723 7.770 8.280 0.395 0.024 0.505 187 D N -2.153 118.554 120.400 0.511 0.000 2.160 187 D HA -0.324 4.683 4.640 0.613 0.000 0.189 187 D C 0.325 176.832 176.300 0.345 0.000 1.003 187 D CA 2.893 57.168 54.000 0.459 0.000 0.846 187 D CB 0.634 41.636 40.800 0.336 0.000 0.949 187 D HN -0.697 7.949 8.370 0.459 0.000 0.446 188 G N -4.100 104.837 108.800 0.228 0.000 2.347 188 G HA2 -0.099 3.945 3.960 0.140 0.000 0.303 188 G HA3 -0.099 4.104 3.960 0.171 -0.140 0.303 188 G C -2.066 172.895 174.900 0.103 0.000 1.481 188 G CA -0.771 44.425 45.100 0.159 0.000 0.914 188 G HN -0.517 7.899 8.290 0.211 0.000 0.638 189 L N 0.307 121.578 121.223 0.079 0.000 2.444 189 L HA -0.015 4.354 4.340 0.048 0.000 0.251 189 L C 1.574 178.466 176.870 0.036 0.000 1.247 189 L CA -0.106 54.767 54.840 0.055 0.000 0.825 189 L CB 0.699 42.796 42.059 0.063 0.000 1.129 189 L HN 0.211 8.495 8.230 0.089 0.000 0.527 190 I N 0.000 120.581 120.570 0.019 0.000 2.984 190 I HA 0.000 4.165 4.170 -0.009 0.000 0.288 190 I CA 0.000 61.293 61.300 -0.012 0.000 1.566 190 I CB 0.000 37.996 38.000 -0.007 0.000 1.214 190 I HN 0.000 8.225 8.210 0.026 0.000 0.494