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 2iys_1_A DATA FIRST_RESID 2 DATA SEQUENCE APKAVLVGLP GSGKSTIGRR LAKALGVGLL DTDVAIEQRT GRSIADIFAT DATA SEQUENCE DGEQEFRRIE EDVVRAALAD HDGVLSLGGG AVTSPGVRAA LAGHTVVYLE DATA SEQUENCE ISAAEGVRRT GGNTVRPLLA GPDRAEKYRA LMAKRAPLYR RVATMRVDTN DATA SEQUENCE RRNPGAVVRH ILSRLQVPSP SEAAT 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 2 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 2 A C 0.000 177.635 177.584 0.085 0.000 1.274 2 A CA 0.000 52.122 52.037 0.141 0.000 0.836 2 A CB 0.000 19.124 19.000 0.207 0.000 0.831 3 P HA 0.126 4.546 4.420 -0.000 0.000 0.266 3 P C 0.431 177.757 177.300 0.045 0.000 1.195 3 P CA -0.009 63.112 63.100 0.035 0.000 0.768 3 P CB 0.623 32.365 31.700 0.071 0.000 0.838 4 K N 1.567 121.965 120.400 -0.003 0.000 2.147 4 K HA 0.039 4.357 4.320 -0.004 0.000 0.205 4 K C 0.756 177.379 176.600 0.039 0.000 1.049 4 K CA 1.180 57.474 56.287 0.013 0.000 0.936 4 K CB -0.284 32.212 32.500 -0.008 0.000 0.722 4 K HN 0.574 8.824 8.250 -0.000 0.000 0.446 5 A N 0.218 123.066 122.820 0.047 0.000 2.540 5 A HA 0.494 4.812 4.320 -0.004 0.000 0.297 5 A C -1.179 176.442 177.584 0.061 0.000 1.056 5 A CA -0.726 51.346 52.037 0.058 0.000 0.700 5 A CB 1.688 20.718 19.000 0.050 0.000 1.280 5 A HN -0.125 8.025 8.150 -0.000 0.000 0.398 6 V N 3.181 123.130 119.914 0.058 0.000 2.370 6 V HA 0.399 4.517 4.120 -0.004 0.000 0.279 6 V C -0.104 176.013 176.094 0.038 0.000 1.029 6 V CA -0.296 62.028 62.300 0.039 0.000 0.870 6 V CB 1.154 32.987 31.823 0.018 0.000 0.984 6 V HN 0.741 8.931 8.190 -0.000 0.000 0.451 7 L N 6.172 127.411 121.223 0.027 0.000 2.289 7 L HA 0.706 5.044 4.340 -0.004 0.000 0.285 7 L C -0.309 176.553 176.870 -0.014 0.000 1.049 7 L CA -0.567 54.283 54.840 0.017 0.000 0.804 7 L CB 1.809 43.877 42.059 0.015 0.000 1.195 7 L HN 0.631 8.861 8.230 -0.000 0.000 0.428 8 V N 0.271 120.158 119.914 -0.043 0.000 2.876 8 V HA 1.093 5.210 4.120 -0.004 0.000 0.312 8 V C -0.233 175.693 176.094 -0.280 0.000 1.085 8 V CA -0.231 61.957 62.300 -0.187 0.000 0.945 8 V CB 1.575 33.268 31.823 -0.216 0.000 1.017 8 V HN 0.889 9.079 8.190 -0.000 0.000 0.428 9 G N 2.306 110.789 108.800 -0.529 0.000 2.313 9 G HA2 0.446 4.403 3.960 -0.004 0.000 0.296 9 G HA3 0.446 4.403 3.960 -0.004 0.000 0.296 9 G C -1.844 172.917 174.900 -0.231 0.000 1.356 9 G CA -0.983 43.867 45.100 -0.418 0.000 0.833 9 G HN 0.760 9.050 8.290 -0.000 0.000 0.552 10 L N 0.653 121.887 121.223 0.018 0.000 2.456 10 L HA 0.460 4.797 4.340 -0.004 0.000 0.257 10 L C -1.817 175.139 176.870 0.143 0.000 1.162 10 L CA -1.354 53.571 54.840 0.142 0.000 0.808 10 L CB 0.457 42.629 42.059 0.189 0.000 1.136 10 L HN 0.264 8.494 8.230 -0.000 0.000 0.466 11 P HA 0.176 4.596 4.420 -0.000 0.000 0.265 11 P C 0.639 178.072 177.300 0.221 0.000 1.193 11 P CA 0.754 63.969 63.100 0.191 0.000 0.765 11 P CB 0.565 32.404 31.700 0.232 0.000 0.823 12 G N 2.122 110.983 108.800 0.102 0.000 2.234 12 G HA2 -0.299 3.658 3.960 -0.004 0.000 0.235 12 G HA3 -0.299 3.658 3.960 -0.004 0.000 0.235 12 G C 1.143 176.070 174.900 0.045 0.000 0.997 12 G CA 0.446 45.576 45.100 0.049 0.000 0.623 12 G HN 0.610 8.900 8.290 -0.000 0.000 0.514 13 S N 0.239 115.975 115.700 0.060 0.000 2.522 13 S HA 0.398 4.866 4.470 -0.004 0.000 0.227 13 S C 2.209 176.808 174.600 -0.002 0.000 0.986 13 S CA 1.475 59.687 58.200 0.021 0.000 0.929 13 S CB 0.127 63.337 63.200 0.016 0.000 0.769 13 S HN 2.422 10.732 8.310 -0.000 0.000 0.529 14 G N 1.608 110.412 108.800 0.006 0.000 2.141 14 G HA2 -0.322 3.636 3.960 -0.004 0.000 0.242 14 G HA3 -0.322 3.636 3.960 -0.004 0.000 0.242 14 G C 0.615 175.516 174.900 0.001 0.000 0.982 14 G CA 0.489 45.589 45.100 -0.000 0.000 0.662 14 G HN 0.545 8.835 8.290 -0.000 0.000 0.527 15 K N 0.611 121.014 120.400 0.004 0.000 2.034 15 K HA -0.190 4.127 4.320 -0.004 0.000 0.214 15 K C 2.754 179.359 176.600 0.008 0.000 1.051 15 K CA 2.489 58.777 56.287 0.002 0.000 0.931 15 K CB -0.362 32.138 32.500 -0.000 0.000 0.715 15 K HN 0.490 8.740 8.250 -0.000 0.000 0.446 16 S N -0.409 115.298 115.700 0.012 0.000 2.356 16 S HA -0.154 4.313 4.470 -0.004 0.000 0.223 16 S C 1.990 176.597 174.600 0.012 0.000 1.032 16 S CA 2.279 60.487 58.200 0.013 0.000 1.005 16 S CB -0.684 62.525 63.200 0.015 0.000 0.867 16 S HN 0.658 8.968 8.310 -0.000 0.000 0.449 17 T N 0.259 114.819 114.554 0.009 0.000 2.777 17 T HA 0.079 4.427 4.350 -0.004 0.000 0.266 17 T C 1.870 176.575 174.700 0.009 0.000 1.040 17 T CA 1.280 63.385 62.100 0.008 0.000 1.141 17 T CB -0.701 68.170 68.868 0.005 0.000 0.868 17 T HN 0.446 8.686 8.240 -0.000 0.000 0.444 18 I N 1.937 122.512 120.570 0.007 0.000 2.226 18 I HA 0.005 4.173 4.170 -0.004 0.000 0.245 18 I C 3.041 179.167 176.117 0.016 0.000 1.100 18 I CA 1.271 62.576 61.300 0.009 0.000 1.374 18 I CB -0.865 37.137 38.000 0.003 0.000 1.057 18 I HN 0.423 8.633 8.210 -0.000 0.000 0.413 19 G N 0.696 109.506 108.800 0.017 0.000 2.446 19 G HA2 -0.307 3.651 3.960 -0.004 0.000 0.217 19 G HA3 -0.307 3.651 3.960 -0.004 0.000 0.217 19 G C 1.774 176.690 174.900 0.027 0.000 1.168 19 G CA 0.918 46.032 45.100 0.024 0.000 0.771 19 G HN 0.294 8.584 8.290 -0.000 0.000 0.551 20 R N 0.265 120.778 120.500 0.022 0.000 2.081 20 R HA 0.001 4.338 4.340 -0.004 0.000 0.235 20 R C 2.750 179.062 176.300 0.020 0.000 1.131 20 R CA 1.203 57.316 56.100 0.021 0.000 0.960 20 R CB -0.234 30.076 30.300 0.017 0.000 0.856 20 R HN 0.294 8.564 8.270 -0.000 0.000 0.436 21 R N 0.043 120.554 120.500 0.017 0.000 2.075 21 R HA -0.118 4.219 4.340 -0.004 0.000 0.232 21 R C 2.351 178.662 176.300 0.018 0.000 1.126 21 R CA 1.226 57.335 56.100 0.016 0.000 0.963 21 R CB -0.396 29.912 30.300 0.013 0.000 0.858 21 R HN 0.184 8.454 8.270 -0.000 0.000 0.435 22 L N 0.626 121.863 121.223 0.022 0.000 2.046 22 L HA -0.106 4.231 4.340 -0.004 0.000 0.208 22 L C 2.295 179.179 176.870 0.024 0.000 1.077 22 L CA 1.849 56.704 54.840 0.024 0.000 0.747 22 L CB -0.496 41.580 42.059 0.029 0.000 0.896 22 L HN 0.139 8.369 8.230 -0.000 0.000 0.432 23 A N -0.838 122.000 122.820 0.029 0.000 1.933 23 A HA -0.260 4.058 4.320 -0.004 0.000 0.218 23 A C 2.424 180.021 177.584 0.023 0.000 1.175 23 A CA 1.903 53.959 52.037 0.031 0.000 0.628 23 A CB -0.583 18.445 19.000 0.046 0.000 0.814 23 A HN 0.471 8.621 8.150 -0.000 0.000 0.444 24 K N -0.243 120.169 120.400 0.021 0.000 2.057 24 K HA -0.089 4.228 4.320 -0.004 0.000 0.207 24 K C 2.101 178.708 176.600 0.013 0.000 1.049 24 K CA 1.280 57.577 56.287 0.016 0.000 0.931 24 K CB -0.322 32.186 32.500 0.015 0.000 0.714 24 K HN 0.353 8.603 8.250 -0.000 0.000 0.440 25 A N 1.014 123.842 122.820 0.013 0.000 1.930 25 A HA -0.048 4.269 4.320 -0.004 0.000 0.217 25 A C 2.027 179.616 177.584 0.008 0.000 1.175 25 A CA 1.026 53.069 52.037 0.011 0.000 0.627 25 A CB -0.397 18.610 19.000 0.012 0.000 0.815 25 A HN 0.321 8.471 8.150 -0.000 0.000 0.443 26 L N -1.118 120.110 121.223 0.009 0.000 2.313 26 L HA 0.130 4.467 4.340 -0.004 0.000 0.214 26 L C 1.571 178.442 176.870 0.002 0.000 1.119 26 L CA 0.535 55.378 54.840 0.005 0.000 0.809 26 L CB -0.465 41.597 42.059 0.004 0.000 0.933 26 L HN 0.565 8.795 8.230 -0.000 0.000 0.449 27 G N 1.324 110.127 108.800 0.006 0.000 2.298 27 G HA2 -0.189 3.769 3.960 -0.004 0.000 0.287 27 G HA3 -0.189 3.769 3.960 -0.004 0.000 0.287 27 G C -0.070 174.832 174.900 0.003 0.000 1.075 27 G CA 0.344 45.448 45.100 0.006 0.000 0.960 27 G HN 0.311 8.601 8.290 -0.000 0.000 0.502 28 V N -2.662 117.256 119.914 0.007 0.000 3.141 28 V HA 1.021 5.138 4.120 -0.004 0.000 0.312 28 V C 0.874 176.987 176.094 0.032 0.000 1.157 28 V CA -0.438 61.862 62.300 -0.001 0.000 1.041 28 V CB 1.673 33.478 31.823 -0.030 0.000 1.071 28 V HN 1.434 9.624 8.190 -0.000 0.000 0.441 29 G N 0.646 109.476 108.800 0.049 0.000 2.483 29 G HA2 0.501 4.458 3.960 -0.004 0.000 0.248 29 G HA3 0.501 4.458 3.960 -0.004 0.000 0.248 29 G C -0.957 174.085 174.900 0.237 0.000 1.248 29 G CA -0.268 44.925 45.100 0.155 0.000 0.838 29 G HN 1.112 9.402 8.290 -0.000 0.000 0.566 30 L N 2.225 123.543 121.223 0.158 0.000 2.305 30 L HA 0.643 4.980 4.340 -0.004 0.000 0.284 30 L C -0.681 176.187 176.870 -0.003 0.000 1.013 30 L CA -0.756 54.149 54.840 0.109 0.000 0.819 30 L CB 1.467 43.561 42.059 0.058 0.000 1.227 30 L HN 0.426 8.656 8.230 -0.000 0.000 0.417 31 L N 5.225 126.375 121.223 -0.121 0.000 2.325 31 L HA 0.513 4.851 4.340 -0.004 0.000 0.281 31 L C -1.101 175.689 176.870 -0.133 0.000 1.004 31 L CA -0.330 54.349 54.840 -0.269 0.000 0.823 31 L CB 1.235 42.864 42.059 -0.717 0.000 1.236 31 L HN 0.649 8.879 8.230 -0.000 0.000 0.415 32 D N 2.711 123.063 120.400 -0.079 0.000 2.303 32 D HA 0.101 4.738 4.640 -0.004 0.000 0.236 32 D C 0.994 177.274 176.300 -0.034 0.000 1.068 32 D CA -0.157 53.821 54.000 -0.037 0.000 0.830 32 D CB 2.120 42.915 40.800 -0.009 0.000 1.109 32 D HN 0.725 9.095 8.370 -0.000 0.000 0.496 33 T N 1.121 115.661 114.554 -0.023 0.000 2.867 33 T HA -0.154 4.194 4.350 -0.004 0.000 0.268 33 T C 1.096 175.804 174.700 0.013 0.000 1.057 33 T CA 0.903 62.989 62.100 -0.023 0.000 1.136 33 T CB 0.092 68.945 68.868 -0.025 0.000 0.874 33 T HN 0.270 8.510 8.240 -0.000 0.000 0.466 34 D N 1.201 121.633 120.400 0.054 0.000 2.117 34 D HA -0.035 4.602 4.640 -0.004 0.000 0.197 34 D C 2.347 178.690 176.300 0.071 0.000 0.987 34 D CA 0.846 54.908 54.000 0.104 0.000 0.829 34 D CB -0.464 40.406 40.800 0.116 0.000 0.961 34 D HN 0.327 8.697 8.370 -0.000 0.000 0.460 35 V N 1.460 121.395 119.914 0.037 0.000 2.295 35 V HA -0.223 3.895 4.120 -0.004 0.000 0.246 35 V C 2.547 178.645 176.094 0.007 0.000 1.049 35 V CA 1.788 64.101 62.300 0.021 0.000 1.024 35 V CB -0.854 30.974 31.823 0.007 0.000 0.648 35 V HN 0.176 8.366 8.190 -0.000 0.000 0.447 36 A N -0.150 122.662 122.820 -0.014 0.000 1.940 36 A HA -0.188 4.130 4.320 -0.004 0.000 0.219 36 A C 2.183 179.751 177.584 -0.026 0.000 1.176 36 A CA 1.931 53.950 52.037 -0.031 0.000 0.631 36 A CB -0.582 18.384 19.000 -0.058 0.000 0.814 36 A HN 0.529 8.679 8.150 -0.000 0.000 0.446 37 I N -0.464 120.095 120.570 -0.018 0.000 2.226 37 I HA -0.254 3.914 4.170 -0.004 0.000 0.245 37 I C 2.480 178.603 176.117 0.010 0.000 1.100 37 I CA 1.567 62.851 61.300 -0.027 0.000 1.374 37 I CB -0.384 37.598 38.000 -0.030 0.000 1.057 37 I HN 0.426 8.636 8.210 -0.000 0.000 0.413 38 E N 0.361 120.584 120.200 0.038 0.000 2.106 38 E HA -0.244 4.103 4.350 -0.004 0.000 0.192 38 E C 2.176 178.787 176.600 0.018 0.000 0.984 38 E CA 0.944 57.368 56.400 0.041 0.000 0.806 38 E CB -0.106 29.625 29.700 0.052 0.000 0.750 38 E HN 0.579 8.939 8.360 -0.000 0.000 0.458 39 Q N 0.199 120.004 119.800 0.007 0.000 2.224 39 Q HA -0.137 4.201 4.340 -0.004 0.000 0.203 39 Q C 2.102 178.098 176.000 -0.007 0.000 0.970 39 Q CA 0.946 56.749 55.803 -0.001 0.000 0.865 39 Q CB 0.004 28.738 28.738 -0.008 0.000 0.922 39 Q HN -0.040 8.230 8.270 -0.000 0.000 0.445 40 R N 0.089 120.581 120.500 -0.014 0.000 2.210 40 R HA -0.032 4.305 4.340 -0.004 0.000 0.203 40 R C 1.828 178.118 176.300 -0.017 0.000 1.010 40 R CA 1.615 57.703 56.100 -0.020 0.000 1.008 40 R CB 0.097 30.376 30.300 -0.034 0.000 0.923 40 R HN 0.289 8.559 8.270 -0.000 0.000 0.469 41 T N -4.849 109.699 114.554 -0.010 0.000 2.990 41 T HA 0.236 4.584 4.350 -0.004 0.000 0.249 41 T C 1.397 176.100 174.700 0.005 0.000 1.039 41 T CA 0.307 62.404 62.100 -0.005 0.000 1.036 41 T CB 0.350 69.218 68.868 -0.001 0.000 0.994 41 T HN 0.247 8.487 8.240 -0.000 0.000 0.489 42 G N 1.925 110.730 108.800 0.009 0.000 2.168 42 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.257 42 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.257 42 G C 0.038 174.950 174.900 0.021 0.000 0.997 42 G CA 0.240 45.348 45.100 0.013 0.000 0.708 42 G HN 0.725 9.015 8.290 -0.000 0.000 0.520 43 R N -0.148 120.370 120.500 0.030 0.000 2.750 43 R HA 0.605 4.942 4.340 -0.004 0.000 0.281 43 R C 0.519 176.856 176.300 0.062 0.000 0.972 43 R CA -0.066 56.060 56.100 0.042 0.000 0.912 43 R CB 1.637 31.963 30.300 0.043 0.000 1.187 43 R HN 0.430 8.700 8.270 -0.000 0.000 0.464 44 S N 1.050 116.787 115.700 0.063 0.000 2.593 44 S HA 0.145 4.612 4.470 -0.004 0.000 0.269 44 S C 1.486 176.154 174.600 0.114 0.000 1.334 44 S CA -0.579 57.666 58.200 0.076 0.000 1.015 44 S CB 0.590 63.823 63.200 0.055 0.000 0.912 44 S HN 0.606 8.916 8.310 -0.000 0.000 0.541 45 I N 1.717 122.370 120.570 0.138 0.000 2.194 45 I HA -0.236 3.932 4.170 -0.004 0.000 0.246 45 I C 2.841 179.059 176.117 0.168 0.000 1.093 45 I CA 1.836 63.245 61.300 0.183 0.000 1.355 45 I CB -0.839 37.254 38.000 0.155 0.000 1.046 45 I HN 0.893 9.103 8.210 -0.000 0.000 0.413 46 A N 0.112 122.993 122.820 0.102 0.000 1.902 46 A HA -0.298 4.019 4.320 -0.004 0.000 0.217 46 A C 2.043 179.693 177.584 0.111 0.000 1.181 46 A CA 2.231 54.318 52.037 0.083 0.000 0.623 46 A CB -0.665 18.346 19.000 0.018 0.000 0.818 46 A HN 0.463 8.613 8.150 -0.000 0.000 0.443 47 D N 0.146 120.599 120.400 0.089 0.000 2.117 47 D HA -0.134 4.503 4.640 -0.004 0.000 0.197 47 D C 1.751 178.103 176.300 0.087 0.000 0.987 47 D CA 1.482 55.527 54.000 0.074 0.000 0.829 47 D CB -0.282 40.553 40.800 0.057 0.000 0.961 47 D HN 0.498 8.868 8.370 -0.000 0.000 0.460 48 I N -0.554 120.080 120.570 0.106 0.000 2.142 48 I HA -0.259 3.908 4.170 -0.004 0.000 0.240 48 I C 2.195 178.345 176.117 0.054 0.000 1.078 48 I CA 0.731 62.082 61.300 0.085 0.000 1.343 48 I CB -0.412 37.681 38.000 0.156 0.000 1.046 48 I HN -0.046 8.164 8.210 -0.000 0.000 0.405 49 F N 1.139 121.090 119.950 0.002 0.000 2.091 49 F HA -0.304 4.220 4.527 -0.004 0.000 0.299 49 F C 2.612 178.403 175.800 -0.014 0.000 1.103 49 F CA 1.874 59.849 58.000 -0.043 0.000 1.228 49 F CB -0.698 38.211 39.000 -0.152 0.000 0.984 49 F HN 0.029 8.329 8.300 -0.000 0.000 0.477 50 A N -0.872 122.051 122.820 0.172 0.000 1.968 50 A HA -0.130 4.187 4.320 -0.004 0.000 0.217 50 A C 2.157 179.781 177.584 0.067 0.000 1.169 50 A CA 2.125 54.220 52.037 0.097 0.000 0.638 50 A CB -1.095 17.945 19.000 0.067 0.000 0.812 50 A HN 0.451 8.601 8.150 -0.000 0.000 0.446 51 T N -4.578 110.012 114.554 0.059 0.000 3.042 51 T HA 0.059 4.406 4.350 -0.004 0.000 0.245 51 T C 1.140 175.859 174.700 0.030 0.000 1.029 51 T CA 0.899 63.022 62.100 0.039 0.000 1.120 51 T CB -0.034 68.854 68.868 0.032 0.000 0.917 51 T HN 0.228 8.468 8.240 -0.000 0.000 0.467 52 D N 1.366 121.782 120.400 0.027 0.000 2.355 52 D HA 0.352 4.989 4.640 -0.004 0.000 0.206 52 D C 1.291 177.599 176.300 0.013 0.000 1.010 52 D CA 1.143 55.150 54.000 0.012 0.000 0.875 52 D CB 0.555 41.354 40.800 -0.002 0.000 0.966 52 D HN 0.716 9.086 8.370 -0.000 0.000 0.512 53 G N 1.526 110.344 108.800 0.028 0.000 2.707 53 G HA2 -0.239 3.718 3.960 -0.004 0.000 0.686 53 G HA3 -0.239 3.718 3.960 -0.004 0.000 0.686 53 G C 0.521 175.426 174.900 0.009 0.000 1.315 53 G CA -0.021 45.109 45.100 0.051 0.000 0.832 53 G HN 0.062 8.352 8.290 -0.000 0.000 0.573 54 E N -0.330 119.926 120.200 0.093 0.000 2.038 54 E HA -0.217 4.130 4.350 -0.004 0.000 0.195 54 E C 2.360 178.978 176.600 0.030 0.000 1.000 54 E CA 1.880 58.339 56.400 0.098 0.000 0.803 54 E CB -0.121 29.724 29.700 0.241 0.000 0.750 54 E HN 0.508 8.868 8.360 -0.000 0.000 0.448 55 Q N 0.315 120.137 119.800 0.037 0.000 2.096 55 Q HA -0.207 4.130 4.340 -0.004 0.000 0.204 55 Q C 2.012 178.000 176.000 -0.021 0.000 0.982 55 Q CA 1.607 57.419 55.803 0.015 0.000 0.850 55 Q CB -0.336 28.410 28.738 0.013 0.000 0.901 55 Q HN 0.293 8.563 8.270 -0.000 0.000 0.422 56 E N 0.176 120.357 120.200 -0.032 0.000 2.107 56 E HA -0.128 4.219 4.350 -0.004 0.000 0.191 56 E C 1.657 178.194 176.600 -0.105 0.000 0.982 56 E CA 0.599 56.965 56.400 -0.057 0.000 0.809 56 E CB -0.399 29.277 29.700 -0.039 0.000 0.756 56 E HN 0.273 8.633 8.360 -0.000 0.000 0.459 57 F N 1.209 120.984 119.950 -0.292 0.000 2.095 57 F HA -0.188 4.336 4.527 -0.004 0.000 0.298 57 F C 1.981 177.629 175.800 -0.254 0.000 1.104 57 F CA 1.622 59.382 58.000 -0.400 0.000 1.232 57 F CB -0.035 38.395 39.000 -0.949 0.000 0.987 57 F HN -0.037 8.263 8.300 -0.000 0.000 0.475 58 R N 0.413 120.842 120.500 -0.119 0.000 2.120 58 R HA -0.143 4.194 4.340 -0.004 0.000 0.234 58 R C 2.420 178.613 176.300 -0.179 0.000 1.123 58 R CA 1.388 57.418 56.100 -0.116 0.000 0.975 58 R CB -1.009 29.307 30.300 0.027 0.000 0.866 58 R HN 0.389 8.659 8.270 -0.000 0.000 0.446 59 R N 0.891 121.301 120.500 -0.150 0.000 2.075 59 R HA -0.039 4.299 4.340 -0.004 0.000 0.232 59 R C 2.291 178.486 176.300 -0.175 0.000 1.126 59 R CA 1.163 57.186 56.100 -0.128 0.000 0.963 59 R CB -0.226 30.021 30.300 -0.089 0.000 0.858 59 R HN 0.136 8.406 8.270 -0.000 0.000 0.435 60 I N 0.919 121.342 120.570 -0.244 0.000 2.163 60 I HA -0.284 3.884 4.170 -0.004 0.000 0.243 60 I C 2.615 178.544 176.117 -0.313 0.000 1.085 60 I CA 1.734 62.875 61.300 -0.265 0.000 1.347 60 I CB -0.465 37.356 38.000 -0.298 0.000 1.044 60 I HN 0.395 8.605 8.210 -0.000 0.000 0.408 61 E N 1.202 121.111 120.200 -0.486 0.000 2.085 61 E HA -0.320 4.028 4.350 -0.004 0.000 0.194 61 E C 2.123 178.598 176.600 -0.207 0.000 0.994 61 E CA 1.730 57.889 56.400 -0.402 0.000 0.801 61 E CB -0.066 29.323 29.700 -0.520 0.000 0.743 61 E HN 0.507 8.867 8.360 -0.000 0.000 0.453 62 E N 0.104 120.202 120.200 -0.169 0.000 2.077 62 E HA -0.225 4.122 4.350 -0.004 0.000 0.193 62 E C 1.606 178.152 176.600 -0.090 0.000 0.989 62 E CA 1.558 57.897 56.400 -0.101 0.000 0.800 62 E CB 0.006 29.660 29.700 -0.077 0.000 0.746 62 E HN 0.273 8.633 8.360 -0.000 0.000 0.452 63 D N 0.135 120.474 120.400 -0.102 0.000 2.104 63 D HA -0.155 4.482 4.640 -0.004 0.000 0.194 63 D C 2.083 178.336 176.300 -0.078 0.000 0.994 63 D CA 1.191 55.143 54.000 -0.080 0.000 0.830 63 D CB -0.293 40.457 40.800 -0.083 0.000 0.959 63 D HN 0.120 8.490 8.370 -0.000 0.000 0.452 64 V N 0.732 120.585 119.914 -0.100 0.000 2.287 64 V HA -0.220 3.898 4.120 -0.004 0.000 0.248 64 V C 2.684 178.732 176.094 -0.077 0.000 1.053 64 V CA 1.110 63.356 62.300 -0.089 0.000 1.027 64 V CB -0.490 31.267 31.823 -0.109 0.000 0.646 64 V HN 0.058 8.248 8.190 -0.000 0.000 0.447 65 V N -0.215 119.651 119.914 -0.080 0.000 2.295 65 V HA -0.280 3.838 4.120 -0.004 0.000 0.246 65 V C 2.576 178.631 176.094 -0.065 0.000 1.049 65 V CA 2.189 64.446 62.300 -0.070 0.000 1.024 65 V CB -0.788 30.998 31.823 -0.062 0.000 0.648 65 V HN 0.468 8.658 8.190 -0.000 0.000 0.447 66 R N -0.048 120.421 120.500 -0.053 0.000 2.096 66 R HA -0.110 4.228 4.340 -0.004 0.000 0.235 66 R C 2.416 178.701 176.300 -0.025 0.000 1.127 66 R CA 1.438 57.517 56.100 -0.035 0.000 0.968 66 R CB -0.558 29.728 30.300 -0.024 0.000 0.861 66 R HN 0.548 8.818 8.270 -0.000 0.000 0.440 67 A N 1.094 123.896 122.820 -0.030 0.000 1.898 67 A HA -0.079 4.239 4.320 -0.004 0.000 0.216 67 A C 2.344 179.923 177.584 -0.008 0.000 1.181 67 A CA 1.577 53.603 52.037 -0.017 0.000 0.620 67 A CB -0.577 18.408 19.000 -0.025 0.000 0.819 67 A HN 0.389 8.539 8.150 -0.000 0.000 0.442 68 A N -0.197 122.607 122.820 -0.027 0.000 1.902 68 A HA -0.024 4.294 4.320 -0.004 0.000 0.217 68 A C 2.136 179.728 177.584 0.013 0.000 1.181 68 A CA 1.428 53.458 52.037 -0.011 0.000 0.623 68 A CB -0.609 18.355 19.000 -0.059 0.000 0.818 68 A HN 0.466 8.616 8.150 -0.000 0.000 0.443 69 L N -0.850 120.337 121.223 -0.059 0.000 2.131 69 L HA -0.206 4.131 4.340 -0.004 0.000 0.210 69 L C 3.029 179.920 176.870 0.034 0.000 1.092 69 L CA 1.010 55.767 54.840 -0.138 0.000 0.759 69 L CB -0.471 41.416 42.059 -0.288 0.000 0.903 69 L HN 0.460 8.690 8.230 -0.000 0.000 0.435 70 A N -0.592 122.257 122.820 0.048 0.000 1.897 70 A HA -0.154 4.163 4.320 -0.004 0.000 0.215 70 A C 1.771 179.395 177.584 0.067 0.000 1.181 70 A CA 1.782 53.861 52.037 0.070 0.000 0.620 70 A CB -0.150 18.876 19.000 0.044 0.000 0.821 70 A HN 0.360 8.510 8.150 -0.000 0.000 0.443 71 D N -2.715 117.725 120.400 0.067 0.000 2.473 71 D HA 0.127 4.765 4.640 -0.004 0.000 0.230 71 D C 0.039 176.402 176.300 0.104 0.000 1.097 71 D CA 0.148 54.188 54.000 0.068 0.000 0.861 71 D CB -0.147 40.685 40.800 0.053 0.000 1.114 71 D HN 0.514 8.884 8.370 -0.000 0.000 0.500 72 H N 1.178 120.251 119.070 0.004 0.000 2.580 72 H HA 0.199 4.753 4.556 -0.003 0.000 0.322 72 H C -0.020 175.317 175.328 0.015 0.000 1.082 72 H CA 0.235 56.285 56.048 0.003 0.000 1.383 72 H CB 1.018 30.774 29.762 -0.009 0.000 1.450 72 H HN -0.329 7.951 8.280 -0.000 0.000 0.505 73 D N 2.337 122.460 120.400 -0.460 0.000 2.398 73 D HA 0.161 4.799 4.640 -0.004 0.000 0.210 73 D C 1.182 177.247 176.300 -0.392 0.000 1.094 73 D CA 0.571 54.390 54.000 -0.303 0.000 0.839 73 D CB 0.737 41.443 40.800 -0.157 0.000 0.963 73 D HN 0.732 9.102 8.370 -0.000 0.000 0.506 74 G N -0.312 108.006 108.800 -0.803 0.000 3.075 74 G HA2 0.396 4.354 3.960 -0.004 0.000 0.156 74 G HA3 0.396 4.354 3.960 -0.004 0.000 0.156 74 G C -0.416 174.426 174.900 -0.097 0.000 1.403 74 G CA -0.232 44.642 45.100 -0.377 0.000 1.033 74 G HN -0.022 8.268 8.290 -0.000 0.000 0.589 75 V N 0.729 120.714 119.914 0.117 0.000 2.465 75 V HA 0.441 4.558 4.120 -0.004 0.000 0.279 75 V C -0.594 175.639 176.094 0.233 0.000 1.045 75 V CA -0.421 61.966 62.300 0.145 0.000 0.938 75 V CB 1.206 33.086 31.823 0.095 0.000 0.986 75 V HN 0.438 8.628 8.190 -0.000 0.000 0.467 76 L N 5.167 126.482 121.223 0.154 0.000 2.298 76 L HA 0.574 4.912 4.340 -0.004 0.000 0.284 76 L C 0.100 176.990 176.870 0.033 0.000 1.013 76 L CA 0.451 55.342 54.840 0.084 0.000 0.824 76 L CB 1.716 43.822 42.059 0.079 0.000 1.221 76 L HN 0.624 8.854 8.230 -0.000 0.000 0.418 77 S N 5.685 121.391 115.700 0.009 0.000 2.422 77 S HA 0.528 4.995 4.470 -0.004 0.000 0.308 77 S C -0.532 174.071 174.600 0.004 0.000 1.097 77 S CA -0.418 57.787 58.200 0.008 0.000 1.099 77 S CB 0.969 64.175 63.200 0.010 0.000 0.976 77 S HN 0.553 8.863 8.310 -0.000 0.000 0.471 78 L N 4.065 125.293 121.223 0.008 0.000 2.305 78 L HA 0.584 4.921 4.340 -0.004 0.000 0.281 78 L C 0.861 177.758 176.870 0.046 0.000 1.085 78 L CA 0.117 54.970 54.840 0.021 0.000 0.813 78 L CB 0.422 42.495 42.059 0.024 0.000 1.157 78 L HN 0.718 8.948 8.230 -0.000 0.000 0.436 79 G N 3.100 111.943 108.800 0.071 0.000 2.474 79 G HA2 0.236 4.194 3.960 -0.004 0.000 0.233 79 G HA3 0.236 4.194 3.960 -0.004 0.000 0.233 79 G C 0.926 175.906 174.900 0.134 0.000 1.278 79 G CA 0.056 45.224 45.100 0.112 0.000 0.861 79 G HN 1.045 9.335 8.290 -0.000 0.000 0.567 80 G N 0.911 109.795 108.800 0.139 0.000 2.448 80 G HA2 0.034 3.991 3.960 -0.004 0.000 0.219 80 G HA3 0.034 3.991 3.960 -0.004 0.000 0.219 80 G C 1.415 176.443 174.900 0.214 0.000 1.127 80 G CA 1.177 46.386 45.100 0.181 0.000 0.766 80 G HN 1.010 9.300 8.290 -0.000 0.000 0.552 81 G N -0.120 108.783 108.800 0.172 0.000 3.126 81 G HA2 0.374 4.332 3.960 -0.004 0.000 0.224 81 G HA3 0.374 4.332 3.960 -0.004 0.000 0.224 81 G C 1.628 176.613 174.900 0.142 0.000 1.142 81 G CA 1.049 46.235 45.100 0.144 0.000 0.759 81 G HN 0.491 8.781 8.290 -0.000 0.000 0.550 82 A N 0.333 123.241 122.820 0.147 0.000 1.940 82 A HA -0.040 4.278 4.320 -0.004 0.000 0.219 82 A C 2.433 180.055 177.584 0.063 0.000 1.176 82 A CA 1.658 53.754 52.037 0.097 0.000 0.631 82 A CB -0.645 18.398 19.000 0.073 0.000 0.814 82 A HN 0.406 8.556 8.150 -0.000 0.000 0.446 83 V N 1.005 120.962 119.914 0.072 0.000 2.688 83 V HA -0.202 3.915 4.120 -0.004 0.000 0.256 83 V C 2.771 178.849 176.094 -0.027 0.000 1.084 83 V CA 2.666 64.980 62.300 0.023 0.000 1.103 83 V CB -0.908 30.931 31.823 0.027 0.000 0.688 83 V HN 0.882 9.072 8.190 -0.000 0.000 0.480 84 T N -2.816 111.729 114.554 -0.016 0.000 3.007 84 T HA -0.007 4.340 4.350 -0.004 0.000 0.270 84 T C 1.024 175.723 174.700 -0.003 0.000 1.107 84 T CA 0.879 62.966 62.100 -0.022 0.000 1.118 84 T CB -0.346 68.522 68.868 -0.001 0.000 0.889 84 T HN 0.423 8.663 8.240 -0.000 0.000 0.506 85 S N 3.421 119.126 115.700 0.009 0.000 2.474 85 S HA 0.310 4.777 4.470 -0.004 0.000 0.276 85 S C -1.633 172.964 174.600 -0.004 0.000 1.227 85 S CA -1.203 56.999 58.200 0.004 0.000 1.050 85 S CB 1.514 64.715 63.200 0.001 0.000 0.939 85 S HN 0.218 8.528 8.310 -0.000 0.000 0.490 86 P HA -0.100 4.320 4.420 -0.000 0.000 0.216 86 P C 1.657 178.955 177.300 -0.004 0.000 1.153 86 P CA 0.953 64.049 63.100 -0.007 0.000 0.858 86 P CB -0.032 31.664 31.700 -0.007 0.000 0.789 87 G N -0.568 108.228 108.800 -0.006 0.000 2.432 87 G HA2 -0.207 3.750 3.960 -0.004 0.000 0.219 87 G HA3 -0.207 3.750 3.960 -0.004 0.000 0.219 87 G C 1.597 176.494 174.900 -0.004 0.000 1.135 87 G CA 0.542 45.639 45.100 -0.006 0.000 0.767 87 G HN 0.179 8.469 8.290 -0.000 0.000 0.550 88 V N 0.622 120.533 119.914 -0.006 0.000 2.379 88 V HA -0.121 3.996 4.120 -0.004 0.000 0.245 88 V C 2.904 179.003 176.094 0.009 0.000 1.044 88 V CA 1.730 64.028 62.300 -0.003 0.000 1.036 88 V CB -0.401 31.421 31.823 -0.002 0.000 0.664 88 V HN 0.330 8.520 8.190 -0.000 0.000 0.453 89 R N 0.335 120.840 120.500 0.008 0.000 2.096 89 R HA -0.114 4.224 4.340 -0.004 0.000 0.235 89 R C 2.411 178.724 176.300 0.022 0.000 1.127 89 R CA 1.420 57.528 56.100 0.014 0.000 0.968 89 R CB -0.596 29.705 30.300 0.002 0.000 0.861 89 R HN 0.534 8.804 8.270 -0.000 0.000 0.440 90 A N 1.568 124.399 122.820 0.018 0.000 1.877 90 A HA -0.092 4.226 4.320 -0.004 0.000 0.216 90 A C 2.420 180.029 177.584 0.042 0.000 1.186 90 A CA 1.647 53.699 52.037 0.024 0.000 0.620 90 A CB -0.621 18.388 19.000 0.015 0.000 0.822 90 A HN 0.376 8.526 8.150 -0.000 0.000 0.443 91 A N -0.406 122.438 122.820 0.039 0.000 1.972 91 A HA -0.001 4.316 4.320 -0.004 0.000 0.219 91 A C 2.093 179.749 177.584 0.120 0.000 1.169 91 A CA 1.391 53.465 52.037 0.061 0.000 0.635 91 A CB -0.583 18.432 19.000 0.025 0.000 0.810 91 A HN 0.476 8.626 8.150 -0.000 0.000 0.446 92 L N -0.419 120.859 121.223 0.092 0.000 2.201 92 L HA -0.041 4.297 4.340 -0.004 0.000 0.212 92 L C 1.668 178.668 176.870 0.217 0.000 1.105 92 L CA 0.199 55.125 54.840 0.143 0.000 0.775 92 L CB -0.636 41.468 42.059 0.075 0.000 0.913 92 L HN 0.390 8.620 8.230 -0.000 0.000 0.440 93 A N 0.231 123.128 122.820 0.128 0.000 2.548 93 A HA 0.362 4.679 4.320 -0.004 0.000 0.247 93 A C 1.340 178.948 177.584 0.040 0.000 1.067 93 A CA 0.755 52.838 52.037 0.076 0.000 0.757 93 A CB -0.315 18.710 19.000 0.043 0.000 0.996 93 A HN 0.569 8.719 8.150 -0.000 0.000 0.504 94 G N 1.731 110.528 108.800 -0.005 0.000 2.213 94 G HA2 -0.166 3.792 3.960 -0.004 0.000 0.226 94 G HA3 -0.166 3.792 3.960 -0.004 0.000 0.226 94 G C 0.294 175.069 174.900 -0.207 0.000 0.992 94 G CA 0.262 45.296 45.100 -0.110 0.000 0.632 94 G HN 0.963 9.253 8.290 -0.000 0.000 0.511 95 H N 0.709 119.790 119.070 0.018 0.000 2.508 95 H HA 0.477 5.032 4.556 -0.002 0.000 0.358 95 H C -0.003 175.340 175.328 0.025 0.000 1.212 95 H CA 0.694 56.755 56.048 0.021 0.000 1.356 95 H CB 0.904 30.681 29.762 0.025 0.000 1.525 95 H HN 0.087 8.367 8.280 -0.000 0.000 0.578 96 T N 2.514 117.163 114.554 0.159 0.000 2.723 96 T HA 0.240 4.587 4.350 -0.004 0.000 0.297 96 T C 0.064 174.829 174.700 0.108 0.000 0.925 96 T CA -0.466 61.696 62.100 0.104 0.000 1.030 96 T CB -0.232 68.682 68.868 0.077 0.000 0.905 96 T HN 0.175 8.415 8.240 -0.000 0.000 0.502 97 V N 5.043 125.015 119.914 0.098 0.000 2.376 97 V HA 0.321 4.438 4.120 -0.004 0.000 0.287 97 V C -0.031 176.121 176.094 0.097 0.000 1.015 97 V CA -0.850 61.505 62.300 0.091 0.000 0.834 97 V CB 1.680 33.557 31.823 0.090 0.000 1.001 97 V HN 0.641 8.831 8.190 -0.000 0.000 0.428 98 V N 5.697 125.665 119.914 0.090 0.000 2.350 98 V HA 0.298 4.416 4.120 -0.004 0.000 0.276 98 V C -0.595 175.576 176.094 0.129 0.000 1.028 98 V CA -0.652 61.707 62.300 0.099 0.000 0.860 98 V CB 1.154 33.021 31.823 0.074 0.000 0.990 98 V HN 0.745 8.935 8.190 -0.000 0.000 0.453 99 Y N 6.446 126.739 120.300 -0.011 0.000 2.404 99 Y HA 0.497 5.044 4.550 -0.005 0.000 0.344 99 Y C -0.142 175.725 175.900 -0.055 0.000 0.970 99 Y CA -1.732 56.338 58.100 -0.051 0.000 1.180 99 Y CB 0.936 39.396 38.460 0.000 0.000 1.138 99 Y HN 0.533 8.813 8.280 -0.000 0.000 0.510 100 L N 6.867 128.074 121.223 -0.027 0.000 2.385 100 L HA 0.236 4.574 4.340 -0.004 0.000 0.285 100 L C 0.227 176.893 176.870 -0.341 0.000 1.125 100 L CA 0.071 54.812 54.840 -0.166 0.000 0.890 100 L CB 0.156 42.175 42.059 -0.066 0.000 1.251 100 L HN 0.607 8.837 8.230 -0.000 0.000 0.445 101 E N 5.104 124.967 120.200 -0.563 0.000 2.174 101 E HA 0.552 4.900 4.350 -0.004 0.000 0.282 101 E C -0.781 175.663 176.600 -0.260 0.000 0.992 101 E CA -0.594 55.392 56.400 -0.691 0.000 0.803 101 E CB 1.161 30.339 29.700 -0.869 0.000 1.090 101 E HN 0.553 8.913 8.360 -0.000 0.000 0.396 102 I N 0.619 121.125 120.570 -0.106 0.000 2.934 102 I HA 0.524 4.692 4.170 -0.004 0.000 0.306 102 I C -0.142 176.001 176.117 0.043 0.000 1.110 102 I CA -1.069 60.221 61.300 -0.017 0.000 1.019 102 I CB 2.046 40.060 38.000 0.024 0.000 1.227 102 I HN 0.428 8.638 8.210 -0.000 0.000 0.434 103 S N 3.001 118.725 115.700 0.041 0.000 2.614 103 S HA 0.531 4.998 4.470 -0.004 0.000 0.265 103 S C 1.236 175.907 174.600 0.117 0.000 1.303 103 S CA -0.103 58.136 58.200 0.065 0.000 1.000 103 S CB 1.542 64.765 63.200 0.038 0.000 0.935 103 S HN 1.038 9.348 8.310 -0.000 0.000 0.551 104 A N 1.966 124.863 122.820 0.129 0.000 1.883 104 A HA 0.050 4.367 4.320 -0.004 0.000 0.217 104 A C 2.428 180.102 177.584 0.149 0.000 1.186 104 A CA 2.071 54.223 52.037 0.191 0.000 0.624 104 A CB -1.763 17.320 19.000 0.137 0.000 0.822 104 A HN 1.388 9.538 8.150 -0.000 0.000 0.444 105 A N -0.526 122.339 122.820 0.075 0.000 1.908 105 A HA -0.175 4.142 4.320 -0.004 0.000 0.218 105 A C 1.989 179.573 177.584 -0.001 0.000 1.181 105 A CA 2.225 54.279 52.037 0.030 0.000 0.627 105 A CB -0.510 18.501 19.000 0.019 0.000 0.818 105 A HN 0.571 8.721 8.150 -0.000 0.000 0.445 106 E N -0.135 120.072 120.200 0.011 0.000 2.072 106 E HA -0.039 4.308 4.350 -0.004 0.000 0.191 106 E C 1.994 178.568 176.600 -0.043 0.000 0.985 106 E CA 1.514 57.907 56.400 -0.012 0.000 0.801 106 E CB -0.732 28.969 29.700 0.002 0.000 0.750 106 E HN 0.413 8.773 8.360 -0.000 0.000 0.452 107 G N -0.076 108.719 108.800 -0.009 0.000 2.418 107 G HA2 -0.217 3.741 3.960 -0.004 0.000 0.217 107 G HA3 -0.217 3.741 3.960 -0.004 0.000 0.217 107 G C 1.718 176.283 174.900 -0.559 0.000 1.158 107 G CA 0.977 46.003 45.100 -0.123 0.000 0.771 107 G HN 0.252 8.542 8.290 -0.000 0.000 0.545 108 V N 0.491 120.140 119.914 -0.442 0.000 2.295 108 V HA -0.154 3.963 4.120 -0.004 0.000 0.246 108 V C 2.799 178.740 176.094 -0.256 0.000 1.049 108 V CA 2.107 64.157 62.300 -0.416 0.000 1.024 108 V CB -0.474 31.253 31.823 -0.161 0.000 0.648 108 V HN 0.354 8.544 8.190 -0.000 0.000 0.447 109 R N -0.057 120.349 120.500 -0.157 0.000 2.091 109 R HA -0.147 4.191 4.340 -0.004 0.000 0.238 109 R C 2.438 178.671 176.300 -0.111 0.000 1.136 109 R CA 1.643 57.679 56.100 -0.106 0.000 0.959 109 R CB -0.149 30.111 30.300 -0.067 0.000 0.856 109 R HN 0.427 8.697 8.270 -0.000 0.000 0.437 110 R N -0.649 119.776 120.500 -0.125 0.000 2.276 110 R HA -0.017 4.320 4.340 -0.004 0.000 0.203 110 R C 1.219 177.454 176.300 -0.107 0.000 1.017 110 R CA 1.384 57.426 56.100 -0.096 0.000 1.010 110 R CB 0.270 30.528 30.300 -0.070 0.000 0.900 110 R HN 0.335 8.605 8.270 -0.000 0.000 0.469 111 T N -4.183 110.267 114.554 -0.174 0.000 3.134 111 T HA 0.148 4.495 4.350 -0.004 0.000 0.260 111 T C 1.501 176.132 174.700 -0.116 0.000 1.027 111 T CA 0.059 62.070 62.100 -0.149 0.000 0.913 111 T CB 1.114 69.848 68.868 -0.224 0.000 1.046 111 T HN 0.155 8.395 8.240 -0.000 0.000 0.553 112 G N 0.915 109.652 108.800 -0.104 0.000 2.572 112 G HA2 0.454 4.411 3.960 -0.004 0.000 0.216 112 G HA3 0.454 4.411 3.960 -0.004 0.000 0.216 112 G C 1.044 175.915 174.900 -0.048 0.000 1.133 112 G CA 0.118 45.174 45.100 -0.073 0.000 0.791 112 G HN 1.064 9.354 8.290 -0.000 0.000 0.538 113 G N 0.280 109.054 108.800 -0.043 0.000 2.632 113 G HA2 -0.268 3.690 3.960 -0.004 0.000 0.224 113 G HA3 -0.268 3.690 3.960 -0.004 0.000 0.224 113 G C 0.458 175.343 174.900 -0.025 0.000 1.341 113 G CA 0.107 45.190 45.100 -0.029 0.000 0.880 113 G HN 0.214 8.504 8.290 -0.000 0.000 0.566 114 N N 0.113 118.801 118.700 -0.019 0.000 2.336 114 N HA 0.098 4.836 4.740 -0.004 0.000 0.189 114 N C 1.228 176.728 175.510 -0.016 0.000 1.113 114 N CA 1.078 54.118 53.050 -0.017 0.000 0.858 114 N CB 0.270 38.750 38.487 -0.013 0.000 0.970 114 N HN 0.759 9.139 8.380 -0.000 0.000 0.471 115 T N 0.039 114.583 114.554 -0.017 0.000 2.932 115 T HA 0.087 4.434 4.350 -0.004 0.000 0.312 115 T C 1.619 176.308 174.700 -0.017 0.000 1.071 115 T CA -0.132 61.959 62.100 -0.016 0.000 1.128 115 T CB 0.908 69.767 68.868 -0.016 0.000 0.984 115 T HN -0.196 8.044 8.240 -0.000 0.000 0.549 116 V N 5.041 124.946 119.914 -0.014 0.000 2.788 116 V HA 0.154 4.272 4.120 -0.004 0.000 0.251 116 V C 1.541 177.626 176.094 -0.015 0.000 1.068 116 V CA 1.086 63.377 62.300 -0.014 0.000 1.090 116 V CB -0.274 31.542 31.823 -0.011 0.000 0.710 116 V HN 0.674 8.864 8.190 -0.000 0.000 0.467 117 R N 0.851 121.343 120.500 -0.014 0.000 2.868 117 R HA 0.268 4.605 4.340 -0.004 0.000 0.289 117 R C -1.911 174.380 176.300 -0.015 0.000 1.443 117 R CA -1.623 54.469 56.100 -0.014 0.000 1.651 117 R CB 0.300 30.593 30.300 -0.011 0.000 1.242 117 R HN 0.333 8.603 8.270 -0.000 0.000 0.621 118 P HA -0.126 4.294 4.420 -0.000 0.000 0.220 118 P C 1.253 178.542 177.300 -0.018 0.000 1.148 118 P CA 0.820 63.907 63.100 -0.022 0.000 0.803 118 P CB 0.380 32.062 31.700 -0.032 0.000 0.782 119 L N -0.929 120.285 121.223 -0.016 0.000 2.191 119 L HA -0.120 4.217 4.340 -0.004 0.000 0.212 119 L C 2.652 179.517 176.870 -0.009 0.000 1.103 119 L CA 0.999 55.832 54.840 -0.012 0.000 0.769 119 L CB -0.875 41.178 42.059 -0.010 0.000 0.908 119 L HN -0.078 8.152 8.230 -0.000 0.000 0.438 120 L N -0.348 120.869 121.223 -0.009 0.000 2.362 120 L HA -0.123 4.215 4.340 -0.004 0.000 0.219 120 L C 2.597 179.463 176.870 -0.007 0.000 1.134 120 L CA 0.652 55.487 54.840 -0.008 0.000 0.807 120 L CB -0.633 41.422 42.059 -0.008 0.000 0.927 120 L HN 0.236 8.466 8.230 -0.000 0.000 0.447 121 A N -0.015 122.800 122.820 -0.008 0.000 2.206 121 A HA 0.361 4.679 4.320 -0.004 0.000 0.211 121 A C 1.233 178.814 177.584 -0.006 0.000 1.158 121 A CA 0.797 52.830 52.037 -0.008 0.000 0.761 121 A CB -0.394 18.600 19.000 -0.009 0.000 0.801 121 A HN 0.472 8.622 8.150 -0.000 0.000 0.473 122 G N -1.095 107.702 108.800 -0.005 0.000 2.662 122 G HA2 -0.025 3.932 3.960 -0.004 0.000 0.686 122 G HA3 -0.025 3.932 3.960 -0.004 0.000 0.686 122 G C -1.559 173.340 174.900 -0.001 0.000 1.271 122 G CA -0.225 44.873 45.100 -0.003 0.000 0.816 122 G HN 0.132 8.422 8.290 -0.000 0.000 0.608 123 P HA 0.122 4.542 4.420 -0.000 0.000 0.241 123 P C 0.797 178.103 177.300 0.011 0.000 1.191 123 P CA 1.035 64.138 63.100 0.006 0.000 0.771 123 P CB 0.226 31.930 31.700 0.006 0.000 0.929 124 D N 0.438 120.843 120.400 0.008 0.000 2.104 124 D HA -0.155 4.483 4.640 -0.004 0.000 0.194 124 D C 2.139 178.452 176.300 0.020 0.000 0.994 124 D CA 1.007 55.014 54.000 0.011 0.000 0.830 124 D CB -0.521 40.282 40.800 0.005 0.000 0.959 124 D HN 0.116 8.486 8.370 -0.000 0.000 0.452 125 R N 0.459 120.971 120.500 0.019 0.000 2.083 125 R HA -0.109 4.228 4.340 -0.004 0.000 0.237 125 R C 2.015 178.352 176.300 0.062 0.000 1.137 125 R CA 1.517 57.636 56.100 0.032 0.000 0.951 125 R CB -0.203 30.106 30.300 0.015 0.000 0.851 125 R HN 0.165 8.435 8.270 -0.000 0.000 0.434 126 A N 0.961 123.808 122.820 0.044 0.000 1.930 126 A HA -0.113 4.204 4.320 -0.004 0.000 0.217 126 A C 1.914 179.561 177.584 0.105 0.000 1.175 126 A CA 1.175 53.250 52.037 0.064 0.000 0.627 126 A CB -0.277 18.736 19.000 0.022 0.000 0.815 126 A HN 0.322 8.472 8.150 -0.000 0.000 0.443 127 E N 0.324 120.563 120.200 0.065 0.000 2.106 127 E HA -0.138 4.210 4.350 -0.004 0.000 0.192 127 E C 1.834 178.469 176.600 0.058 0.000 0.984 127 E CA 0.847 57.281 56.400 0.056 0.000 0.806 127 E CB -0.225 29.494 29.700 0.031 0.000 0.750 127 E HN 0.435 8.795 8.360 -0.000 0.000 0.458 128 K N 0.264 120.699 120.400 0.058 0.000 2.097 128 K HA -0.149 4.169 4.320 -0.004 0.000 0.206 128 K C 2.140 178.773 176.600 0.055 0.000 1.049 128 K CA 0.693 57.005 56.287 0.040 0.000 0.933 128 K CB -0.595 31.924 32.500 0.031 0.000 0.717 128 K HN 0.231 8.481 8.250 -0.000 0.000 0.442 129 Y N 2.074 122.373 120.300 -0.001 0.000 2.145 129 Y HA -0.222 4.325 4.550 -0.004 0.000 0.286 129 Y C 2.360 178.269 175.900 0.015 0.000 1.145 129 Y CA 1.654 59.760 58.100 0.009 0.000 1.148 129 Y CB -0.004 38.462 38.460 0.010 0.000 0.981 129 Y HN -0.031 8.249 8.280 -0.000 0.000 0.507 130 R N -0.177 120.415 120.500 0.154 0.000 2.096 130 R HA -0.176 4.161 4.340 -0.004 0.000 0.235 130 R C 2.487 178.772 176.300 -0.025 0.000 1.127 130 R CA 1.127 57.273 56.100 0.077 0.000 0.968 130 R CB -0.635 29.724 30.300 0.098 0.000 0.861 130 R HN 0.456 8.726 8.270 -0.000 0.000 0.440 131 A N 1.190 123.994 122.820 -0.027 0.000 1.902 131 A HA -0.161 4.157 4.320 -0.004 0.000 0.217 131 A C 2.085 179.616 177.584 -0.089 0.000 1.181 131 A CA 1.072 53.081 52.037 -0.046 0.000 0.623 131 A CB -0.440 18.542 19.000 -0.031 0.000 0.818 131 A HN 0.245 8.395 8.150 -0.000 0.000 0.443 132 L N -1.187 119.952 121.223 -0.140 0.000 2.017 132 L HA -0.131 4.206 4.340 -0.004 0.000 0.208 132 L C 2.436 179.187 176.870 -0.199 0.000 1.073 132 L CA 2.666 57.400 54.840 -0.177 0.000 0.745 132 L CB -0.515 41.405 42.059 -0.231 0.000 0.894 132 L HN 0.437 8.667 8.230 -0.000 0.000 0.432 133 M N -0.040 119.402 119.600 -0.263 0.000 2.080 133 M HA -0.149 4.329 4.480 -0.004 0.000 0.260 133 M C 2.171 178.422 176.300 -0.082 0.000 1.068 133 M CA 2.187 57.389 55.300 -0.162 0.000 1.109 133 M CB -0.782 31.737 32.600 -0.135 0.000 1.342 133 M HN 0.307 8.597 8.290 -0.000 0.000 0.405 134 A N -0.529 122.248 122.820 -0.071 0.000 2.019 134 A HA -0.167 4.151 4.320 -0.004 0.000 0.219 134 A C 2.172 179.713 177.584 -0.073 0.000 1.164 134 A CA 1.795 53.803 52.037 -0.048 0.000 0.644 134 A CB -0.619 18.361 19.000 -0.033 0.000 0.805 134 A HN 0.625 8.774 8.150 -0.000 0.000 0.449 135 K N -1.123 119.217 120.400 -0.099 0.000 2.098 135 K HA 0.021 4.338 4.320 -0.004 0.000 0.203 135 K C 2.153 178.640 176.600 -0.189 0.000 1.051 135 K CA 0.732 56.949 56.287 -0.117 0.000 0.957 135 K CB -0.046 32.392 32.500 -0.104 0.000 0.738 135 K HN 0.253 8.503 8.250 -0.000 0.000 0.447 136 R N 0.301 120.652 120.500 -0.248 0.000 2.112 136 R HA 0.145 4.482 4.340 -0.004 0.000 0.216 136 R C 2.295 178.200 176.300 -0.659 0.000 1.080 136 R CA 0.870 56.660 56.100 -0.515 0.000 0.996 136 R CB -0.500 29.508 30.300 -0.486 0.000 0.902 136 R HN 0.111 8.381 8.270 -0.000 0.000 0.449 137 A N 2.503 125.171 122.820 -0.252 0.000 1.917 137 A HA -0.122 4.196 4.320 -0.004 0.000 0.219 137 A C -0.505 177.011 177.584 -0.113 0.000 1.182 137 A CA 1.422 53.436 52.037 -0.037 0.000 0.633 137 A CB -1.468 17.615 19.000 0.138 0.000 0.819 137 A HN 0.177 8.327 8.150 -0.000 0.000 0.448 138 P HA -0.115 4.305 4.420 -0.000 0.000 0.218 138 P C 1.403 178.619 177.300 -0.141 0.000 1.148 138 P CA 0.858 63.905 63.100 -0.088 0.000 0.822 138 P CB -0.144 31.511 31.700 -0.075 0.000 0.784 139 L N -2.701 118.368 121.223 -0.256 0.000 2.109 139 L HA -0.143 4.194 4.340 -0.004 0.000 0.207 139 L C 2.527 179.256 176.870 -0.234 0.000 1.086 139 L CA 1.414 56.105 54.840 -0.250 0.000 0.760 139 L CB -1.045 40.829 42.059 -0.309 0.000 0.910 139 L HN 0.012 8.242 8.230 -0.000 0.000 0.437 140 Y N -0.336 119.773 120.300 -0.319 0.000 2.181 140 Y HA -0.183 4.364 4.550 -0.005 0.000 0.288 140 Y C 2.884 178.476 175.900 -0.515 0.000 1.146 140 Y CA 0.155 57.895 58.100 -0.601 0.000 1.164 140 Y CB -0.195 37.484 38.460 -1.302 0.000 0.982 140 Y HN 0.045 8.325 8.280 -0.000 0.000 0.515 141 R N 0.678 121.073 120.500 -0.175 0.000 2.083 141 R HA -0.161 4.177 4.340 -0.004 0.000 0.237 141 R C 2.182 178.499 176.300 0.030 0.000 1.137 141 R CA 1.359 57.487 56.100 0.046 0.000 0.951 141 R CB -0.705 29.645 30.300 0.083 0.000 0.851 141 R HN 0.431 8.701 8.270 -0.000 0.000 0.434 142 R N 0.321 120.813 120.500 -0.013 0.000 2.083 142 R HA -0.111 4.227 4.340 -0.004 0.000 0.237 142 R C 2.274 178.583 176.300 0.015 0.000 1.137 142 R CA 1.889 57.988 56.100 -0.001 0.000 0.951 142 R CB -0.465 29.823 30.300 -0.021 0.000 0.851 142 R HN 0.260 8.530 8.270 -0.000 0.000 0.434 143 V N -1.774 118.146 119.914 0.011 0.000 3.306 143 V HA 0.250 4.367 4.120 -0.004 0.000 0.264 143 V C 0.941 177.069 176.094 0.056 0.000 1.149 143 V CA 0.389 62.709 62.300 0.033 0.000 1.143 143 V CB -0.591 31.254 31.823 0.036 0.000 0.767 143 V HN 0.165 8.355 8.190 -0.000 0.000 0.476 144 A N 1.523 124.384 122.820 0.068 0.000 2.445 144 A HA 0.469 4.787 4.320 -0.004 0.000 0.242 144 A C 1.313 178.955 177.584 0.097 0.000 1.075 144 A CA 0.628 52.732 52.037 0.111 0.000 0.777 144 A CB 0.304 19.419 19.000 0.192 0.000 1.013 144 A HN 0.810 8.960 8.150 -0.000 0.000 0.493 145 T N -0.823 113.788 114.554 0.096 0.000 2.985 145 T HA 0.381 4.729 4.350 -0.004 0.000 0.254 145 T C 0.301 175.051 174.700 0.084 0.000 1.021 145 T CA 0.337 62.485 62.100 0.080 0.000 0.957 145 T CB -0.064 68.843 68.868 0.066 0.000 1.047 145 T HN 0.606 8.846 8.240 -0.000 0.000 0.511 146 M N 1.914 121.576 119.600 0.103 0.000 2.149 146 M HA 0.495 4.973 4.480 -0.004 0.000 0.273 146 M C -1.791 174.581 176.300 0.120 0.000 0.972 146 M CA -0.542 54.820 55.300 0.104 0.000 0.984 146 M CB 1.942 34.600 32.600 0.097 0.000 1.699 146 M HN -0.011 8.279 8.290 -0.000 0.000 0.462 147 R N 2.999 123.563 120.500 0.105 0.000 2.265 147 R HA 0.676 5.013 4.340 -0.004 0.000 0.319 147 R C -1.133 175.152 176.300 -0.026 0.000 1.006 147 R CA -0.624 55.505 56.100 0.048 0.000 0.880 147 R CB 1.770 32.100 30.300 0.051 0.000 1.077 147 R HN 0.455 8.725 8.270 -0.000 0.000 0.454 148 V N 2.539 122.374 119.914 -0.132 0.000 2.407 148 V HA 0.088 4.205 4.120 -0.004 0.000 0.291 148 V C -0.464 175.468 176.094 -0.269 0.000 1.018 148 V CA -0.923 61.242 62.300 -0.226 0.000 0.842 148 V CB 1.675 33.384 31.823 -0.191 0.000 0.996 148 V HN 0.659 8.849 8.190 -0.000 0.000 0.426 149 D N 3.708 123.952 120.400 -0.260 0.000 2.346 149 D HA 0.112 4.750 4.640 -0.004 0.000 0.260 149 D C 1.182 177.369 176.300 -0.187 0.000 1.252 149 D CA 0.350 54.229 54.000 -0.202 0.000 0.895 149 D CB 1.596 42.308 40.800 -0.147 0.000 1.097 149 D HN 0.748 9.118 8.370 -0.000 0.000 0.489 150 T N 0.326 114.787 114.554 -0.155 0.000 3.054 150 T HA 0.116 4.463 4.350 -0.004 0.000 0.255 150 T C 0.537 175.190 174.700 -0.079 0.000 1.035 150 T CA -0.661 61.370 62.100 -0.116 0.000 0.941 150 T CB -0.192 68.615 68.868 -0.101 0.000 1.026 150 T HN 0.180 8.420 8.240 -0.000 0.000 0.533 151 N N 3.326 121.982 118.700 -0.073 0.000 2.411 151 N HA 0.072 4.810 4.740 -0.004 0.000 0.265 151 N C 0.251 175.736 175.510 -0.042 0.000 1.266 151 N CA 0.306 53.327 53.050 -0.047 0.000 0.889 151 N CB 0.133 38.596 38.487 -0.040 0.000 1.069 151 N HN 0.436 8.816 8.380 -0.000 0.000 0.476 152 R N 0.338 120.819 120.500 -0.033 0.000 3.516 152 R HA -0.238 4.099 4.340 -0.004 0.000 0.271 152 R C -0.404 175.878 176.300 -0.029 0.000 1.098 152 R CA 0.823 56.907 56.100 -0.027 0.000 0.732 152 R CB -1.176 29.111 30.300 -0.023 0.000 1.152 152 R HN 0.553 8.823 8.270 -0.000 0.000 0.455 153 R N 0.675 121.154 120.500 -0.035 0.000 2.637 153 R HA 0.254 4.592 4.340 -0.004 0.000 0.291 153 R C 0.155 176.440 176.300 -0.026 0.000 0.963 153 R CA -0.869 55.210 56.100 -0.034 0.000 0.901 153 R CB 1.274 31.543 30.300 -0.051 0.000 1.160 153 R HN 0.086 8.356 8.270 -0.000 0.000 0.457 154 N N 2.842 121.532 118.700 -0.018 0.000 2.492 154 N HA 0.005 4.742 4.740 -0.004 0.000 0.260 154 N C -1.785 173.718 175.510 -0.011 0.000 1.215 154 N CA -1.079 51.963 53.050 -0.012 0.000 0.923 154 N CB 1.208 39.692 38.487 -0.006 0.000 1.092 154 N HN 0.251 8.631 8.380 -0.000 0.000 0.448 155 P HA -0.032 4.388 4.420 -0.000 0.000 0.219 155 P C 1.071 178.372 177.300 0.001 0.000 1.146 155 P CA 0.898 63.994 63.100 -0.006 0.000 0.808 155 P CB 0.007 31.705 31.700 -0.004 0.000 0.779 156 G N 0.183 108.985 108.800 0.004 0.000 2.408 156 G HA2 -0.179 3.778 3.960 -0.004 0.000 0.217 156 G HA3 -0.179 3.778 3.960 -0.004 0.000 0.217 156 G C 1.634 176.544 174.900 0.016 0.000 1.150 156 G CA 0.771 45.877 45.100 0.010 0.000 0.776 156 G HN 0.321 8.611 8.290 -0.000 0.000 0.542 157 A N 0.197 123.025 122.820 0.014 0.000 1.930 157 A HA 0.130 4.448 4.320 -0.004 0.000 0.217 157 A C 2.571 180.178 177.584 0.038 0.000 1.175 157 A CA 1.644 53.696 52.037 0.024 0.000 0.627 157 A CB -0.492 18.515 19.000 0.012 0.000 0.815 157 A HN 0.229 8.379 8.150 -0.000 0.000 0.443 158 V N -0.393 119.528 119.914 0.012 0.000 2.343 158 V HA -0.218 3.899 4.120 -0.004 0.000 0.247 158 V C 2.560 178.685 176.094 0.053 0.000 1.051 158 V CA 1.936 64.239 62.300 0.004 0.000 1.036 158 V CB -0.776 31.029 31.823 -0.029 0.000 0.654 158 V HN 0.363 8.553 8.190 -0.000 0.000 0.451 159 V N -0.084 119.853 119.914 0.039 0.000 2.343 159 V HA -0.276 3.842 4.120 -0.004 0.000 0.247 159 V C 2.604 178.730 176.094 0.054 0.000 1.051 159 V CA 2.132 64.457 62.300 0.042 0.000 1.036 159 V CB -0.781 31.057 31.823 0.026 0.000 0.654 159 V HN 0.474 8.664 8.190 -0.000 0.000 0.451 160 R N -0.826 119.707 120.500 0.055 0.000 2.081 160 R HA -0.203 4.135 4.340 -0.004 0.000 0.235 160 R C 2.320 178.659 176.300 0.065 0.000 1.131 160 R CA 1.950 58.079 56.100 0.048 0.000 0.960 160 R CB -0.554 29.770 30.300 0.040 0.000 0.856 160 R HN 0.703 8.973 8.270 -0.000 0.000 0.436 161 H N 0.657 119.725 119.070 -0.003 0.000 2.319 161 H HA -0.087 4.467 4.556 -0.002 0.000 0.299 161 H C 1.929 177.256 175.328 -0.001 0.000 1.092 161 H CA 2.063 58.109 56.048 -0.004 0.000 1.302 161 H CB -0.035 29.722 29.762 -0.008 0.000 1.373 161 H HN 0.085 8.365 8.280 -0.000 0.000 0.497 162 I N 0.059 120.733 120.570 0.174 0.000 2.179 162 I HA -0.276 3.891 4.170 -0.004 0.000 0.242 162 I C 2.271 178.403 176.117 0.025 0.000 1.088 162 I CA 1.130 62.491 61.300 0.103 0.000 1.357 162 I CB -0.265 37.793 38.000 0.096 0.000 1.051 162 I HN 0.296 8.506 8.210 -0.000 0.000 0.409 163 L N -0.055 121.180 121.223 0.020 0.000 2.079 163 L HA -0.209 4.128 4.340 -0.004 0.000 0.210 163 L C 2.537 179.394 176.870 -0.021 0.000 1.081 163 L CA 1.190 56.032 54.840 0.003 0.000 0.752 163 L CB -0.591 41.471 42.059 0.007 0.000 0.896 163 L HN 0.178 8.408 8.230 -0.000 0.000 0.433 164 S N -0.549 115.124 115.700 -0.046 0.000 2.507 164 S HA -0.072 4.395 4.470 -0.004 0.000 0.235 164 S C 1.587 176.138 174.600 -0.082 0.000 0.988 164 S CA 0.965 59.123 58.200 -0.070 0.000 0.944 164 S CB -0.154 62.984 63.200 -0.103 0.000 0.762 164 S HN 0.400 8.710 8.310 -0.000 0.000 0.526 165 R N 0.033 120.484 120.500 -0.082 0.000 2.577 165 R HA 0.383 4.721 4.340 -0.004 0.000 0.344 165 R C 0.034 176.321 176.300 -0.023 0.000 1.037 165 R CA 0.055 56.116 56.100 -0.065 0.000 1.102 165 R CB 0.395 30.641 30.300 -0.089 0.000 1.313 165 R HN 0.251 8.521 8.270 -0.000 0.000 0.561 166 L N 0.889 122.102 121.223 -0.016 0.000 3.366 166 L HA 0.251 4.588 4.340 -0.004 0.000 0.304 166 L C -0.288 176.578 176.870 -0.006 0.000 1.292 166 L CA -0.108 54.730 54.840 -0.003 0.000 1.012 166 L CB 0.809 42.873 42.059 0.008 0.000 1.414 166 L HN 0.106 8.336 8.230 -0.000 0.000 0.603 167 Q N 0.599 120.392 119.800 -0.012 0.000 2.394 167 Q HA 0.350 4.688 4.340 -0.004 0.000 0.248 167 Q C -0.581 175.414 176.000 -0.009 0.000 0.992 167 Q CA -0.042 55.755 55.803 -0.011 0.000 0.888 167 Q CB 2.369 31.098 28.738 -0.015 0.000 1.257 167 Q HN -0.007 8.263 8.270 -0.000 0.000 0.462 168 V N 3.149 123.059 119.914 -0.008 0.000 2.407 168 V HA 0.290 4.407 4.120 -0.004 0.000 0.291 168 V C -2.053 174.036 176.094 -0.007 0.000 1.018 168 V CA -1.691 60.605 62.300 -0.007 0.000 0.842 168 V CB 1.212 33.031 31.823 -0.007 0.000 0.996 168 V HN 0.739 8.929 8.190 -0.000 0.000 0.426 169 P HA 0.224 4.644 4.420 -0.000 0.000 0.268 169 P C -0.018 177.278 177.300 -0.006 0.000 1.208 169 P CA -0.062 63.034 63.100 -0.007 0.000 0.777 169 P CB 0.334 32.030 31.700 -0.007 0.000 0.875 170 S N 2.608 118.305 115.700 -0.006 0.000 2.560 170 S HA 0.194 4.662 4.470 -0.004 0.000 0.284 170 S C -1.764 172.833 174.600 -0.005 0.000 1.327 170 S CA -0.668 57.529 58.200 -0.005 0.000 1.055 170 S CB -0.671 62.526 63.200 -0.005 0.000 0.868 170 S HN 0.451 8.761 8.310 -0.000 0.000 0.506 171 P HA 0.175 4.595 4.420 -0.000 0.000 0.272 171 P C -0.047 177.250 177.300 -0.004 0.000 1.223 171 P CA -0.499 62.598 63.100 -0.005 0.000 0.784 171 P CB 0.491 32.188 31.700 -0.005 0.000 0.923 172 S N 1.010 116.707 115.700 -0.004 0.000 2.617 172 S HA 0.050 4.518 4.470 -0.004 0.000 0.259 172 S C 1.153 175.751 174.600 -0.003 0.000 1.301 172 S CA -0.165 58.033 58.200 -0.004 0.000 0.984 172 S CB 0.394 63.591 63.200 -0.004 0.000 0.954 172 S HN 0.354 8.664 8.310 -0.000 0.000 0.572 173 E N 0.979 121.178 120.200 -0.003 0.000 2.072 173 E HA 0.052 4.399 4.350 -0.004 0.000 0.191 173 E C 2.309 178.907 176.600 -0.003 0.000 0.985 173 E CA 1.537 57.935 56.400 -0.003 0.000 0.801 173 E CB -0.954 28.745 29.700 -0.002 0.000 0.750 173 E HN 0.746 9.106 8.360 -0.000 0.000 0.452 174 A N 1.028 123.846 122.820 -0.003 0.000 1.908 174 A HA -0.155 4.162 4.320 -0.004 0.000 0.218 174 A C 2.367 179.949 177.584 -0.003 0.000 1.181 174 A CA 2.063 54.098 52.037 -0.003 0.000 0.627 174 A CB -0.887 18.111 19.000 -0.003 0.000 0.818 174 A HN 0.288 8.438 8.150 -0.000 0.000 0.445 175 A N -1.158 121.660 122.820 -0.004 0.000 1.930 175 A HA 0.089 4.406 4.320 -0.004 0.000 0.217 175 A C 1.706 179.288 177.584 -0.004 0.000 1.175 175 A CA 1.710 53.745 52.037 -0.004 0.000 0.627 175 A CB -0.947 18.050 19.000 -0.004 0.000 0.815 175 A HN 0.429 8.579 8.150 -0.000 0.000 0.443 176 T N 0.000 114.552 114.554 -0.003 0.000 3.816 176 T HA 0.000 4.347 4.350 -0.004 0.000 0.228 176 T CA 0.000 62.098 62.100 -0.003 0.000 1.349 176 T CB 0.000 68.866 68.868 -0.003 0.000 0.612 176 T HN 0.000 8.240 8.240 -0.000 0.000 0.658