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 1u8j_1_B DATA FIRST_RESID 1 DATA SEQUENCE RITLKESGPP LVKPTQTLTL TcSFSGFSLS DFGVGWIRQP PGKALEWLAI DATA SEQUENCE IYSDDDKRYS PSLNTRLTIT KDTSKNQVVL VVSPVDTATY FcAHRRGPTM DATA SEQUENCE DVWGQGITVT ISSTSTKGPS VFPLAPXXXX XXGAAAALGc LVKDYFPEPV DATA SEQUENCE TVSWNSGALT SGVHTFPAVL QSSGLYSLSS VVTVPSSSLX XQTYTcNVNH DATA SEQUENCE KPSNTKVDKR VEPKSC 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 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 1 R C 0.000 176.325 176.300 0.042 0.000 0.893 1 R CA 0.000 56.116 56.100 0.027 0.000 0.921 1 R CB 0.000 30.316 30.300 0.027 0.000 0.687 2 I N 3.942 124.531 120.570 0.032 0.000 2.353 2 I HA 0.345 4.515 4.170 0.001 0.000 0.293 2 I C 0.295 176.461 176.117 0.082 0.000 0.992 2 I CA -0.356 60.983 61.300 0.065 0.000 1.268 2 I CB 1.888 39.849 38.000 -0.064 0.000 1.387 2 I HN 0.665 8.875 8.210 -0.000 0.000 0.478 3 T N 4.266 118.897 114.554 0.128 0.000 2.909 3 T HA 0.795 5.146 4.350 0.001 0.000 0.299 3 T C -0.859 173.946 174.700 0.174 0.000 1.073 3 T CA -0.810 61.362 62.100 0.121 0.000 0.999 3 T CB 1.998 70.918 68.868 0.087 0.000 1.098 3 T HN 0.259 8.499 8.240 -0.000 0.000 0.477 4 L N 1.103 122.422 121.223 0.160 0.000 2.371 4 L HA 0.808 5.149 4.340 0.001 0.000 0.262 4 L C -0.459 176.488 176.870 0.127 0.000 1.006 4 L CA -0.773 54.169 54.840 0.170 0.000 0.818 4 L CB 2.434 44.574 42.059 0.135 0.000 1.354 4 L HN 0.883 9.113 8.230 -0.000 0.000 0.415 5 K N 1.193 121.659 120.400 0.111 0.000 2.553 5 K HA 0.547 4.868 4.320 0.001 0.000 0.250 5 K C -1.438 175.228 176.600 0.109 0.000 0.953 5 K CA -0.605 55.744 56.287 0.104 0.000 0.800 5 K CB 1.747 34.297 32.500 0.084 0.000 1.243 5 K HN 0.551 8.801 8.250 -0.000 0.000 0.435 6 E N 1.191 121.473 120.200 0.137 0.000 2.301 6 E HA 0.320 4.671 4.350 0.001 0.000 0.275 6 E C -0.889 175.809 176.600 0.163 0.000 1.030 6 E CA -0.283 56.240 56.400 0.205 0.000 0.852 6 E CB 1.625 31.494 29.700 0.281 0.000 1.060 6 E HN 0.569 8.929 8.360 -0.000 0.000 0.401 7 S N 0.474 116.274 115.700 0.166 0.000 2.564 7 S HA 0.944 5.414 4.470 0.001 0.000 0.274 7 S C -0.067 174.573 174.600 0.067 0.000 1.124 7 S CA -0.323 57.934 58.200 0.095 0.000 0.869 7 S CB 2.113 65.352 63.200 0.066 0.000 1.105 7 S HN 0.806 9.116 8.310 -0.000 0.000 0.472 8 G N 0.611 109.427 108.800 0.027 0.000 2.327 8 G HA2 0.491 4.452 3.960 0.001 0.000 0.291 8 G HA3 0.491 4.452 3.960 0.001 0.000 0.291 8 G C -3.516 171.374 174.900 -0.016 0.000 1.290 8 G CA -0.591 44.500 45.100 -0.014 0.000 0.857 8 G HN 0.771 9.061 8.290 -0.000 0.000 0.520 9 P HA 0.333 4.753 4.420 -0.000 0.000 0.280 9 P C -2.003 175.293 177.300 -0.006 0.000 1.244 9 P CA -1.312 61.778 63.100 -0.017 0.000 0.784 9 P CB 1.684 33.370 31.700 -0.024 0.000 0.913 10 P HA 0.056 4.476 4.420 -0.000 0.000 0.227 10 P C -0.016 177.318 177.300 0.056 0.000 1.161 10 P CA 0.763 63.882 63.100 0.032 0.000 0.788 10 P CB 0.462 32.179 31.700 0.027 0.000 0.822 11 L N -0.419 120.841 121.223 0.062 0.000 2.386 11 L HA 0.440 4.781 4.340 0.001 0.000 0.271 11 L C -0.351 176.560 176.870 0.070 0.000 0.993 11 L CA -0.769 54.136 54.840 0.108 0.000 0.819 11 L CB 2.439 44.595 42.059 0.162 0.000 1.294 11 L HN -0.330 7.900 8.230 -0.000 0.000 0.414 12 V N 2.314 122.267 119.914 0.066 0.000 2.971 12 V HA 0.502 4.622 4.120 0.001 0.000 0.309 12 V C -0.532 175.572 176.094 0.017 0.000 1.130 12 V CA -1.175 61.138 62.300 0.021 0.000 0.964 12 V CB 2.596 34.407 31.823 -0.020 0.000 1.029 12 V HN 0.598 8.788 8.190 -0.000 0.000 0.427 13 K N 3.223 123.620 120.400 -0.005 0.000 2.118 13 K HA 0.507 4.828 4.320 0.001 0.000 0.267 13 K C -2.687 173.895 176.600 -0.031 0.000 0.991 13 K CA -1.699 54.573 56.287 -0.025 0.000 0.916 13 K CB 1.133 33.615 32.500 -0.031 0.000 1.041 13 K HN 0.340 8.590 8.250 -0.000 0.000 0.455 14 P HA -0.151 4.269 4.420 -0.000 0.000 0.266 14 P C 0.248 177.527 177.300 -0.035 0.000 1.193 14 P CA 0.987 64.065 63.100 -0.036 0.000 0.770 14 P CB 0.389 32.062 31.700 -0.044 0.000 0.836 15 T N -1.984 112.550 114.554 -0.033 0.000 9.266 15 T HA -0.284 4.067 4.350 0.001 0.000 0.342 15 T C 0.437 175.115 174.700 -0.036 0.000 1.919 15 T CA 1.120 63.200 62.100 -0.033 0.000 2.973 15 T CB -2.193 66.656 68.868 -0.031 0.000 2.373 15 T HN 0.540 8.780 8.240 -0.000 0.000 1.071 16 Q N 1.319 121.097 119.800 -0.038 0.000 2.500 16 Q HA 0.534 4.874 4.340 0.001 0.000 0.215 16 Q C -0.027 175.941 176.000 -0.054 0.000 1.062 16 Q CA 0.139 55.917 55.803 -0.042 0.000 0.996 16 Q CB 0.509 29.225 28.738 -0.038 0.000 1.239 16 Q HN 0.450 8.720 8.270 -0.000 0.000 0.578 17 T N 1.530 116.049 114.554 -0.059 0.000 2.795 17 T HA 0.433 4.783 4.350 0.001 0.000 0.282 17 T C -0.975 173.669 174.700 -0.094 0.000 0.980 17 T CA -0.557 61.498 62.100 -0.076 0.000 1.012 17 T CB 0.538 69.366 68.868 -0.068 0.000 0.936 17 T HN 0.262 8.502 8.240 -0.000 0.000 0.457 18 L N 3.787 124.931 121.223 -0.132 0.000 2.305 18 L HA 0.615 4.956 4.340 0.001 0.000 0.284 18 L C -0.406 176.338 176.870 -0.210 0.000 1.013 18 L CA 0.083 54.816 54.840 -0.178 0.000 0.819 18 L CB 1.473 43.387 42.059 -0.241 0.000 1.227 18 L HN 0.548 8.778 8.230 -0.000 0.000 0.417 19 T N 6.619 121.063 114.554 -0.184 0.000 2.786 19 T HA 0.590 4.941 4.350 0.001 0.000 0.283 19 T C -0.452 174.131 174.700 -0.195 0.000 0.992 19 T CA -0.269 61.724 62.100 -0.178 0.000 0.954 19 T CB 0.714 69.519 68.868 -0.106 0.000 0.934 19 T HN 0.443 8.683 8.240 -0.000 0.000 0.440 20 L N 2.910 123.966 121.223 -0.279 0.000 2.346 20 L HA 0.607 4.947 4.340 0.001 0.000 0.276 20 L C 0.115 176.964 176.870 -0.035 0.000 1.006 20 L CA -0.825 53.868 54.840 -0.245 0.000 0.817 20 L CB 2.098 43.790 42.059 -0.613 0.000 1.272 20 L HN 0.542 8.772 8.230 -0.000 0.000 0.421 21 T N 0.902 115.555 114.554 0.165 0.000 2.807 21 T HA 0.256 4.607 4.350 0.001 0.000 0.279 21 T C -0.847 174.086 174.700 0.388 0.000 0.993 21 T CA -0.350 61.907 62.100 0.261 0.000 0.970 21 T CB 1.569 70.509 68.868 0.120 0.000 0.950 21 T HN 0.607 8.847 8.240 -0.000 0.000 0.441 22 c N 3.976 122.809 118.600 0.389 0.000 2.281 22 c HA 0.697 5.268 4.570 0.001 0.000 0.323 22 c C 0.093 174.279 174.090 0.161 0.000 1.270 22 c CA -0.397 56.051 56.329 0.198 0.000 1.559 22 c CB -1.144 41.358 42.510 -0.014 0.000 2.239 22 c HN 0.893 9.123 8.230 -0.000 0.000 0.488 23 S N 5.678 121.427 115.700 0.082 0.000 2.451 23 S HA 0.841 5.312 4.470 0.001 0.000 0.301 23 S C -0.664 173.928 174.600 -0.014 0.000 1.116 23 S CA -0.412 57.742 58.200 -0.077 0.000 1.093 23 S CB 0.874 64.027 63.200 -0.080 0.000 1.017 23 S HN 0.752 9.062 8.310 -0.000 0.000 0.482 24 F N -0.389 119.492 119.950 -0.115 0.000 2.640 24 F HA 0.934 5.461 4.527 0.001 0.000 0.324 24 F C -0.194 175.457 175.800 -0.247 0.000 1.077 24 F CA -1.132 56.773 58.000 -0.159 0.000 0.965 24 F CB 1.094 39.972 39.000 -0.205 0.000 1.351 24 F HN 0.542 8.842 8.300 -0.000 0.000 0.487 25 S N -1.390 114.347 115.700 0.061 0.000 2.607 25 S HA 0.719 5.190 4.470 0.001 0.000 0.273 25 S C 0.020 174.646 174.600 0.044 0.000 1.148 25 S CA -0.419 57.766 58.200 -0.025 0.000 0.833 25 S CB 1.129 64.314 63.200 -0.026 0.000 1.130 25 S HN 2.443 10.752 8.310 -0.000 0.000 0.470 26 G N 0.054 108.877 108.800 0.038 0.000 2.194 26 G HA2 -0.068 3.893 3.960 0.001 0.000 0.236 26 G HA3 -0.068 3.893 3.960 0.001 0.000 0.236 26 G C -0.173 174.851 174.900 0.207 0.000 0.987 26 G CA 0.473 45.638 45.100 0.108 0.000 0.635 26 G HN 2.005 10.295 8.290 -0.000 0.000 0.520 27 F N -1.032 118.972 119.950 0.090 0.000 2.741 27 F HA 0.855 5.383 4.527 0.001 0.000 0.313 27 F C -0.573 175.348 175.800 0.203 0.000 1.153 27 F CA -0.852 57.194 58.000 0.076 0.000 0.931 27 F CB 1.193 40.174 39.000 -0.032 0.000 1.335 27 F HN 0.392 8.692 8.300 -0.000 0.000 0.460 28 S N 0.816 116.712 115.700 0.327 0.000 2.536 28 S HA 0.562 5.033 4.470 0.001 0.000 0.298 28 S C -0.441 174.378 174.600 0.364 0.000 1.083 28 S CA -0.530 57.822 58.200 0.254 0.000 0.995 28 S CB 1.552 64.855 63.200 0.172 0.000 1.058 28 S HN 0.789 9.099 8.310 -0.000 0.000 0.488 29 L N 4.240 125.669 121.223 0.344 0.000 2.660 29 L HA 0.276 4.616 4.340 0.001 0.000 0.238 29 L C 1.652 178.637 176.870 0.191 0.000 1.161 29 L CA 0.903 55.912 54.840 0.281 0.000 0.937 29 L CB -0.794 41.444 42.059 0.299 0.000 1.122 29 L HN 0.809 9.039 8.230 -0.000 0.000 0.435 30 S N -3.933 111.876 115.700 0.181 0.000 2.559 30 S HA 0.194 4.664 4.470 0.001 0.000 0.226 30 S C 0.430 175.123 174.600 0.154 0.000 1.000 30 S CA -0.656 57.629 58.200 0.142 0.000 0.948 30 S CB 0.114 63.385 63.200 0.118 0.000 0.870 30 S HN 0.227 8.537 8.310 -0.000 0.000 0.497 31 D N 2.109 122.616 120.400 0.179 0.000 2.362 31 D HA 0.209 4.850 4.640 0.001 0.000 0.242 31 D C -0.313 176.086 176.300 0.165 0.000 1.132 31 D CA -0.406 53.705 54.000 0.185 0.000 0.907 31 D CB 0.230 41.153 40.800 0.205 0.000 1.195 31 D HN 0.276 8.646 8.370 -0.000 0.000 0.429 32 F N 1.174 121.163 119.950 0.065 0.000 2.602 32 F HA 0.225 4.753 4.527 0.001 0.000 0.385 32 F C 1.641 177.463 175.800 0.036 0.000 1.063 32 F CA 0.668 58.695 58.000 0.045 0.000 1.233 32 F CB -0.006 39.013 39.000 0.030 0.000 1.067 32 F HN 0.556 8.856 8.300 -0.000 0.000 0.564 33 G N 3.977 112.225 108.800 -0.921 0.000 2.200 33 G HA2 -0.277 3.683 3.960 0.001 0.000 0.268 33 G HA3 -0.277 3.683 3.960 0.001 0.000 0.268 33 G C 0.297 175.043 174.900 -0.257 0.000 0.986 33 G CA 0.359 45.036 45.100 -0.704 0.000 0.677 33 G HN 0.750 9.040 8.290 -0.000 0.000 0.532 34 V N -0.266 119.546 119.914 -0.169 0.000 3.376 34 V HA 0.664 4.784 4.120 0.001 0.000 0.303 34 V C 1.189 177.165 176.094 -0.196 0.000 1.100 34 V CA 0.897 63.075 62.300 -0.204 0.000 1.126 34 V CB 1.364 33.104 31.823 -0.138 0.000 1.085 34 V HN 1.360 9.550 8.190 -0.000 0.000 0.480 35 G N -0.010 108.518 108.800 -0.454 0.000 2.451 35 G HA2 0.476 4.437 3.960 0.001 0.000 0.292 35 G HA3 0.476 4.437 3.960 0.001 0.000 0.292 35 G C -2.480 172.127 174.900 -0.489 0.000 1.427 35 G CA -0.758 44.120 45.100 -0.370 0.000 0.792 35 G HN 0.546 8.836 8.290 -0.000 0.000 0.498 36 W N -0.433 120.668 121.300 -0.333 0.000 2.785 36 W HA 0.762 5.423 4.660 0.001 0.000 0.333 36 W C -0.706 175.671 176.519 -0.238 0.000 1.062 36 W CA -0.595 56.627 57.345 -0.205 0.000 1.233 36 W CB 2.365 31.746 29.460 -0.132 0.000 1.413 36 W HN 0.389 8.569 8.180 -0.000 0.000 0.489 37 I N 3.499 124.201 120.570 0.220 0.000 2.769 37 I HA 0.512 4.683 4.170 0.001 0.000 0.298 37 I C -0.209 176.106 176.117 0.330 0.000 1.128 37 I CA -1.123 60.321 61.300 0.239 0.000 1.031 37 I CB 1.943 40.131 38.000 0.313 0.000 1.235 37 I HN 0.370 8.580 8.210 -0.000 0.000 0.423 38 R N 4.015 124.610 120.500 0.159 0.000 2.888 38 R HA 0.772 5.113 4.340 0.001 0.000 0.266 38 R C -1.384 174.942 176.300 0.043 0.000 1.020 38 R CA -0.811 55.218 56.100 -0.119 0.000 0.963 38 R CB 2.048 31.974 30.300 -0.625 0.000 1.197 38 R HN 0.682 8.952 8.270 -0.000 0.000 0.481 39 Q N 1.842 121.615 119.800 -0.044 0.000 2.483 39 Q HA 0.377 4.718 4.340 0.001 0.000 0.245 39 Q C -2.606 173.394 176.000 -0.000 0.000 0.902 39 Q CA -1.946 53.905 55.803 0.079 0.000 0.767 39 Q CB 2.335 31.246 28.738 0.288 0.000 1.341 39 Q HN 0.439 8.709 8.270 -0.000 0.000 0.453 40 P HA 0.113 4.533 4.420 -0.000 0.000 0.269 40 P C -2.566 174.761 177.300 0.045 0.000 1.209 40 P CA -0.979 62.129 63.100 0.014 0.000 0.776 40 P CB -0.107 31.607 31.700 0.023 0.000 0.876 41 P HA -0.071 4.349 4.420 -0.000 0.000 0.262 41 P C 0.986 178.326 177.300 0.066 0.000 1.182 41 P CA 1.181 64.323 63.100 0.070 0.000 0.761 41 P CB -0.076 31.676 31.700 0.088 0.000 0.795 42 G N 2.184 111.024 108.800 0.065 0.000 2.189 42 G HA2 -0.261 3.699 3.960 0.001 0.000 0.267 42 G HA3 -0.261 3.699 3.960 0.001 0.000 0.267 42 G C 0.343 175.274 174.900 0.052 0.000 0.975 42 G CA 0.358 45.493 45.100 0.057 0.000 0.644 42 G HN 0.583 8.873 8.290 -0.000 0.000 0.537 43 K N 0.152 120.585 120.400 0.055 0.000 2.416 43 K HA 0.772 5.092 4.320 0.001 0.000 0.244 43 K C 0.798 177.433 176.600 0.059 0.000 1.044 43 K CA -0.183 56.135 56.287 0.052 0.000 0.972 43 K CB 1.136 33.665 32.500 0.049 0.000 1.286 43 K HN 0.401 8.651 8.250 -0.000 0.000 0.500 44 A N 0.758 123.612 122.820 0.057 0.000 2.296 44 A HA 0.359 4.679 4.320 0.001 0.000 0.264 44 A C 0.002 177.641 177.584 0.092 0.000 1.097 44 A CA -0.465 51.609 52.037 0.063 0.000 0.811 44 A CB -0.013 19.020 19.000 0.056 0.000 1.072 44 A HN 0.545 8.695 8.150 -0.000 0.000 0.495 45 L N 0.477 121.763 121.223 0.106 0.000 2.417 45 L HA 0.339 4.680 4.340 0.001 0.000 0.268 45 L C 0.623 177.598 176.870 0.175 0.000 1.158 45 L CA 0.178 55.118 54.840 0.166 0.000 0.819 45 L CB 0.606 42.775 42.059 0.182 0.000 1.112 45 L HN 0.849 9.079 8.230 -0.000 0.000 0.458 46 E N 2.221 122.539 120.200 0.198 0.000 2.241 46 E HA 0.132 4.482 4.350 0.001 0.000 0.263 46 E C -1.577 175.182 176.600 0.265 0.000 0.882 46 E CA -0.796 55.725 56.400 0.201 0.000 0.769 46 E CB 1.180 30.959 29.700 0.130 0.000 1.185 46 E HN 0.473 8.833 8.360 -0.000 0.000 0.415 47 W N 6.256 127.621 121.300 0.110 0.000 2.216 47 W HA 0.192 4.853 4.660 0.001 0.000 0.326 47 W C -0.272 176.318 176.519 0.120 0.000 1.319 47 W CA 0.017 57.428 57.345 0.109 0.000 1.213 47 W CB 0.613 30.120 29.460 0.079 0.000 1.171 47 W HN 0.681 8.861 8.180 -0.000 0.000 0.557 48 L N 4.305 125.200 121.223 -0.548 0.000 2.515 48 L HA 0.570 4.911 4.340 0.001 0.000 0.202 48 L C 0.810 177.182 176.870 -0.830 0.000 1.056 48 L CA 0.322 54.901 54.840 -0.434 0.000 0.847 48 L CB -0.551 41.429 42.059 -0.132 0.000 1.131 48 L HN 0.512 8.742 8.230 -0.000 0.000 0.484 49 A N -0.258 121.784 122.820 -1.296 0.000 2.522 49 A HA 0.674 4.995 4.320 0.001 0.000 0.291 49 A C -1.968 175.222 177.584 -0.657 0.000 1.039 49 A CA -0.332 51.118 52.037 -0.978 0.000 0.643 49 A CB 1.472 20.262 19.000 -0.350 0.000 1.310 49 A HN 0.017 8.167 8.150 -0.000 0.000 0.436 50 I N -0.037 120.331 120.570 -0.337 0.000 2.918 50 I HA 0.768 4.939 4.170 0.001 0.000 0.301 50 I C -1.933 174.001 176.117 -0.306 0.000 1.312 50 I CA -0.914 60.239 61.300 -0.245 0.000 1.007 50 I CB 1.856 39.795 38.000 -0.102 0.000 1.281 50 I HN 0.889 9.099 8.210 -0.000 0.000 0.440 51 I N 5.209 125.550 120.570 -0.383 0.000 2.619 51 I HA 0.493 4.664 4.170 0.001 0.000 0.292 51 I C -1.628 174.228 176.117 -0.434 0.000 1.100 51 I CA -0.398 60.734 61.300 -0.279 0.000 1.043 51 I CB 1.802 39.745 38.000 -0.095 0.000 1.239 51 I HN 0.549 8.759 8.210 -0.000 0.000 0.420 52 Y N 3.550 123.811 120.300 -0.065 0.000 2.534 52 Y HA 0.260 4.811 4.550 0.001 0.000 0.329 52 Y C 1.599 177.469 175.900 -0.049 0.000 1.154 52 Y CA -0.110 57.936 58.100 -0.089 0.000 1.192 52 Y CB 1.673 40.066 38.460 -0.112 0.000 1.275 52 Y HN 0.618 8.898 8.280 -0.000 0.000 0.491 53 S N -0.622 115.146 115.700 0.114 0.000 2.419 53 S HA -0.206 4.265 4.470 0.001 0.000 0.233 53 S C 1.021 175.672 174.600 0.085 0.000 1.016 53 S CA 1.588 59.841 58.200 0.089 0.000 0.974 53 S CB -0.517 62.729 63.200 0.076 0.000 0.786 53 S HN 0.825 9.135 8.310 -0.000 0.000 0.492 54 D N 0.320 120.763 120.400 0.071 0.000 2.336 54 D HA 0.065 4.706 4.640 0.001 0.000 0.229 54 D C 0.391 176.731 176.300 0.067 0.000 1.061 54 D CA 0.633 54.666 54.000 0.054 0.000 0.875 54 D CB -0.823 39.985 40.800 0.014 0.000 0.904 54 D HN 0.409 8.779 8.370 -0.000 0.000 0.525 55 D N -0.765 119.691 120.400 0.094 0.000 3.090 55 D HA -0.211 4.429 4.640 0.001 0.000 0.215 55 D C -0.861 175.497 176.300 0.096 0.000 1.140 55 D CA 0.993 55.047 54.000 0.091 0.000 0.937 55 D CB -1.212 39.631 40.800 0.072 0.000 1.108 55 D HN 0.442 8.812 8.370 -0.000 0.000 0.420 56 D N 0.484 120.959 120.400 0.126 0.000 2.382 56 D HA 0.397 5.038 4.640 0.001 0.000 0.245 56 D C -0.258 176.146 176.300 0.173 0.000 1.120 56 D CA 0.360 54.432 54.000 0.119 0.000 0.890 56 D CB 0.638 41.468 40.800 0.049 0.000 1.201 56 D HN 0.212 8.582 8.370 -0.000 0.000 0.433 57 K N 2.559 123.007 120.400 0.080 0.000 2.375 57 K HA 0.634 4.955 4.320 0.001 0.000 0.249 57 K C -0.555 175.975 176.600 -0.116 0.000 0.942 57 K CA -1.025 55.219 56.287 -0.071 0.000 0.806 57 K CB 1.988 34.400 32.500 -0.146 0.000 1.227 57 K HN 0.258 8.508 8.250 -0.000 0.000 0.430 58 R N 1.818 122.167 120.500 -0.251 0.000 2.698 58 R HA 0.438 4.779 4.340 0.001 0.000 0.275 58 R C -1.396 174.772 176.300 -0.221 0.000 1.001 58 R CA -0.847 55.223 56.100 -0.050 0.000 0.896 58 R CB 1.273 31.723 30.300 0.250 0.000 1.218 58 R HN 0.611 8.881 8.270 -0.000 0.000 0.462 59 Y N -0.832 119.604 120.300 0.227 0.000 2.545 59 Y HA 0.312 4.863 4.550 0.001 0.000 0.348 59 Y C 0.708 176.778 175.900 0.284 0.000 1.002 59 Y CA -0.851 57.322 58.100 0.121 0.000 1.039 59 Y CB 2.045 40.538 38.460 0.054 0.000 1.271 59 Y HN 0.569 8.849 8.280 -0.000 0.000 0.467 60 S N 2.706 118.639 115.700 0.388 0.000 2.546 60 S HA 0.048 4.518 4.470 0.001 0.000 0.290 60 S C -1.885 172.879 174.600 0.273 0.000 1.290 60 S CA -0.782 57.663 58.200 0.409 0.000 1.069 60 S CB 0.622 63.979 63.200 0.262 0.000 0.846 60 S HN 0.477 8.787 8.310 -0.000 0.000 0.495 61 P HA -0.066 4.354 4.420 -0.000 0.000 0.217 61 P C 1.678 179.040 177.300 0.103 0.000 1.150 61 P CA 0.988 64.177 63.100 0.148 0.000 0.832 61 P CB -0.015 31.758 31.700 0.123 0.000 0.787 62 S N -1.202 114.562 115.700 0.107 0.000 2.442 62 S HA -0.068 4.402 4.470 0.001 0.000 0.236 62 S C 1.365 175.999 174.600 0.057 0.000 1.007 62 S CA 0.973 59.218 58.200 0.076 0.000 0.965 62 S CB -0.571 62.678 63.200 0.083 0.000 0.773 62 S HN -0.097 8.213 8.310 -0.000 0.000 0.504 63 L N 1.566 122.827 121.223 0.064 0.000 2.966 63 L HA 0.316 4.657 4.340 0.001 0.000 0.262 63 L C 1.774 178.629 176.870 -0.025 0.000 1.165 63 L CA 0.228 55.084 54.840 0.026 0.000 0.978 63 L CB -1.684 40.399 42.059 0.040 0.000 1.337 63 L HN 0.461 8.691 8.230 -0.000 0.000 0.563 64 N N 1.168 119.861 118.700 -0.011 0.000 2.049 64 N HA -0.296 4.444 4.740 0.001 0.000 0.198 64 N C 1.580 176.963 175.510 -0.210 0.000 1.030 64 N CA 2.786 55.770 53.050 -0.110 0.000 0.870 64 N CB 0.344 38.817 38.487 -0.024 0.000 1.045 64 N HN 0.456 8.836 8.380 -0.000 0.000 0.434 65 T N -1.830 112.653 114.554 -0.118 0.000 2.929 65 T HA -0.048 4.303 4.350 0.001 0.000 0.271 65 T C 1.694 176.317 174.700 -0.130 0.000 1.085 65 T CA 0.913 62.942 62.100 -0.118 0.000 1.125 65 T CB -0.214 68.615 68.868 -0.066 0.000 0.874 65 T HN 0.323 8.563 8.240 -0.000 0.000 0.494 66 R N -0.023 120.404 120.500 -0.122 0.000 2.334 66 R HA 0.446 4.787 4.340 0.001 0.000 0.212 66 R C 0.016 176.231 176.300 -0.142 0.000 0.897 66 R CA -0.089 55.945 56.100 -0.110 0.000 1.056 66 R CB 0.258 30.516 30.300 -0.070 0.000 1.046 66 R HN 0.363 8.633 8.270 -0.000 0.000 0.513 67 L N 0.585 121.682 121.223 -0.210 0.000 2.325 67 L HA 0.462 4.802 4.340 0.001 0.000 0.278 67 L C -0.353 176.343 176.870 -0.290 0.000 1.023 67 L CA -0.555 54.166 54.840 -0.200 0.000 0.811 67 L CB 2.178 44.193 42.059 -0.074 0.000 1.249 67 L HN -0.121 8.109 8.230 -0.000 0.000 0.431 68 T N 3.498 118.012 114.554 -0.066 0.000 2.879 68 T HA 0.538 4.889 4.350 0.001 0.000 0.290 68 T C -0.732 174.081 174.700 0.189 0.000 0.993 68 T CA -0.315 61.823 62.100 0.064 0.000 0.975 68 T CB 1.981 70.848 68.868 -0.003 0.000 0.981 68 T HN 0.411 8.651 8.240 -0.000 0.000 0.439 69 I N 2.372 123.142 120.570 0.333 0.000 2.530 69 I HA 0.776 4.947 4.170 0.001 0.000 0.297 69 I C -0.576 175.617 176.117 0.127 0.000 1.011 69 I CA -0.163 61.232 61.300 0.159 0.000 1.107 69 I CB 1.963 40.009 38.000 0.077 0.000 1.285 69 I HN 0.643 8.853 8.210 -0.000 0.000 0.436 70 T N 5.871 120.494 114.554 0.114 0.000 2.843 70 T HA 0.498 4.849 4.350 0.001 0.000 0.302 70 T C -1.633 173.135 174.700 0.113 0.000 1.232 70 T CA -0.743 61.416 62.100 0.099 0.000 1.009 70 T CB 1.462 70.378 68.868 0.080 0.000 1.254 70 T HN 0.748 8.988 8.240 -0.000 0.000 0.504 71 K N 1.434 121.895 120.400 0.101 0.000 2.395 71 K HA 0.649 4.970 4.320 0.001 0.000 0.247 71 K C -1.472 175.184 176.600 0.093 0.000 0.973 71 K CA -0.948 55.412 56.287 0.121 0.000 0.828 71 K CB 2.064 34.644 32.500 0.134 0.000 1.272 71 K HN 0.433 8.683 8.250 -0.000 0.000 0.439 72 D N 2.117 122.569 120.400 0.086 0.000 2.408 72 D HA 0.139 4.779 4.640 0.001 0.000 0.261 72 D C 0.026 176.343 176.300 0.029 0.000 1.190 72 D CA -0.360 53.665 54.000 0.042 0.000 0.910 72 D CB 1.507 42.315 40.800 0.012 0.000 1.097 72 D HN 0.632 9.002 8.370 -0.000 0.000 0.522 73 T N 0.706 115.295 114.554 0.057 0.000 2.720 73 T HA -0.133 4.218 4.350 0.001 0.000 0.268 73 T C 1.816 176.522 174.700 0.010 0.000 1.037 73 T CA 1.270 63.411 62.100 0.069 0.000 1.144 73 T CB 0.139 69.056 68.868 0.081 0.000 0.864 73 T HN 0.251 8.491 8.240 -0.000 0.000 0.444 74 S N 0.798 116.494 115.700 -0.006 0.000 2.453 74 S HA 0.047 4.518 4.470 0.001 0.000 0.231 74 S C 1.742 176.298 174.600 -0.073 0.000 1.005 74 S CA 0.665 58.847 58.200 -0.029 0.000 0.949 74 S CB -0.056 63.135 63.200 -0.015 0.000 0.774 74 S HN 0.498 8.808 8.310 -0.000 0.000 0.510 75 K N 0.872 121.214 120.400 -0.097 0.000 2.374 75 K HA 0.217 4.538 4.320 0.001 0.000 0.196 75 K C -0.429 175.993 176.600 -0.297 0.000 1.023 75 K CA -0.116 56.082 56.287 -0.148 0.000 1.103 75 K CB -0.002 32.434 32.500 -0.106 0.000 0.848 75 K HN 0.297 8.547 8.250 -0.000 0.000 0.528 76 N N 2.405 120.874 118.700 -0.385 0.000 2.714 76 N HA -0.208 4.532 4.740 0.001 0.000 0.253 76 N C -1.224 173.562 175.510 -1.206 0.000 1.024 76 N CA 0.507 52.969 53.050 -0.980 0.000 0.726 76 N CB -0.652 37.193 38.487 -1.071 0.000 0.908 76 N HN 0.308 8.688 8.380 -0.000 0.000 0.542 77 Q N -0.501 119.028 119.800 -0.453 0.000 2.421 77 Q HA 0.750 5.091 4.340 0.001 0.000 0.280 77 Q C -1.119 174.982 176.000 0.168 0.000 1.085 77 Q CA -0.910 54.811 55.803 -0.138 0.000 0.807 77 Q CB 3.010 31.701 28.738 -0.079 0.000 1.405 77 Q HN 0.020 8.290 8.270 -0.000 0.000 0.419 78 V N 1.583 121.662 119.914 0.274 0.000 2.638 78 V HA 0.494 4.614 4.120 0.001 0.000 0.306 78 V C -0.838 175.472 176.094 0.361 0.000 1.052 78 V CA -0.683 61.800 62.300 0.305 0.000 0.885 78 V CB 2.072 34.075 31.823 0.300 0.000 0.999 78 V HN 0.525 8.715 8.190 -0.000 0.000 0.424 79 V N 5.616 125.694 119.914 0.273 0.000 2.555 79 V HA 0.584 4.705 4.120 0.001 0.000 0.302 79 V C -0.678 175.475 176.094 0.097 0.000 1.038 79 V CA -0.687 61.728 62.300 0.191 0.000 0.887 79 V CB 1.893 33.765 31.823 0.083 0.000 0.991 79 V HN 0.665 8.855 8.190 -0.000 0.000 0.434 80 L N 5.801 126.927 121.223 -0.163 0.000 2.349 80 L HA 0.763 5.104 4.340 0.001 0.000 0.278 80 L C -0.699 175.959 176.870 -0.353 0.000 0.996 80 L CA 0.014 54.612 54.840 -0.402 0.000 0.825 80 L CB 1.823 43.175 42.059 -1.179 0.000 1.243 80 L HN 0.451 8.681 8.230 -0.000 0.000 0.412 81 V N 5.361 125.148 119.914 -0.210 0.000 2.667 81 V HA 0.926 5.047 4.120 0.001 0.000 0.308 81 V C -0.474 175.514 176.094 -0.177 0.000 1.048 81 V CA -0.185 62.007 62.300 -0.180 0.000 0.928 81 V CB 1.892 33.651 31.823 -0.106 0.000 1.004 81 V HN 0.791 8.981 8.190 -0.000 0.000 0.444 82 V N 0.814 120.703 119.914 -0.041 0.000 3.216 82 V HA 0.872 4.993 4.120 0.001 0.000 0.273 82 V C -0.791 175.291 176.094 -0.019 0.000 1.664 82 V CA -0.111 62.172 62.300 -0.028 0.000 1.021 82 V CB 1.438 33.240 31.823 -0.036 0.000 1.250 82 V HN 1.291 9.481 8.190 -0.000 0.000 0.463 83 S N 1.019 116.716 115.700 -0.006 0.000 2.697 83 S HA 0.854 5.325 4.470 0.001 0.000 0.289 83 S C -2.395 172.206 174.600 0.002 0.000 1.149 83 S CA -1.085 57.110 58.200 -0.009 0.000 0.850 83 S CB 1.924 65.119 63.200 -0.008 0.000 1.151 83 S HN 0.619 8.929 8.310 -0.000 0.000 0.491 84 P HA -0.116 4.304 4.420 -0.000 0.000 0.216 84 P C 1.667 178.977 177.300 0.018 0.000 1.150 84 P CA 1.753 64.850 63.100 -0.004 0.000 0.843 84 P CB -0.392 31.290 31.700 -0.030 0.000 0.787 85 V N -3.285 116.640 119.914 0.018 0.000 3.026 85 V HA -0.137 3.983 4.120 0.001 0.000 0.265 85 V C 1.254 177.380 176.094 0.053 0.000 1.121 85 V CA 1.810 64.128 62.300 0.030 0.000 1.142 85 V CB -1.391 30.447 31.823 0.025 0.000 0.730 85 V HN 0.055 8.245 8.190 -0.000 0.000 0.503 86 D N 1.282 121.724 120.400 0.071 0.000 2.349 86 D HA 0.035 4.675 4.640 0.001 0.000 0.224 86 D C 1.311 177.721 176.300 0.184 0.000 1.029 86 D CA 1.052 55.130 54.000 0.131 0.000 0.879 86 D CB 0.163 41.037 40.800 0.122 0.000 0.906 86 D HN 0.699 9.069 8.370 -0.000 0.000 0.528 87 T N -0.514 114.115 114.554 0.124 0.000 2.834 87 T HA 0.484 4.835 4.350 0.001 0.000 0.298 87 T C -0.101 174.669 174.700 0.118 0.000 0.966 87 T CA -0.357 61.831 62.100 0.148 0.000 1.141 87 T CB 1.157 70.096 68.868 0.120 0.000 0.905 87 T HN 0.086 8.326 8.240 -0.000 0.000 0.535 88 A N 3.358 126.261 122.820 0.139 0.000 2.544 88 A HA 0.613 4.934 4.320 0.001 0.000 0.291 88 A C -0.209 177.351 177.584 -0.040 0.000 1.055 88 A CA -1.030 50.986 52.037 -0.036 0.000 0.651 88 A CB 0.748 19.566 19.000 -0.303 0.000 1.296 88 A HN 0.783 8.933 8.150 -0.000 0.000 0.431 89 T N 1.383 115.841 114.554 -0.160 0.000 2.771 89 T HA 0.559 4.910 4.350 0.001 0.000 0.291 89 T C -1.285 173.129 174.700 -0.476 0.000 0.954 89 T CA 0.620 62.575 62.100 -0.243 0.000 1.045 89 T CB -0.137 68.532 68.868 -0.331 0.000 0.917 89 T HN 0.318 8.558 8.240 -0.000 0.000 0.484 90 Y N 2.860 123.004 120.300 -0.260 0.000 2.331 90 Y HA 0.539 5.089 4.550 0.001 0.000 0.338 90 Y C -0.287 175.590 175.900 -0.039 0.000 0.992 90 Y CA -1.125 56.951 58.100 -0.039 0.000 1.121 90 Y CB 0.717 39.230 38.460 0.088 0.000 1.184 90 Y HN 0.538 8.818 8.280 -0.000 0.000 0.469 91 F N 2.332 122.523 119.950 0.402 0.000 2.508 91 F HA 0.617 5.145 4.527 0.001 0.000 0.325 91 F C 0.066 175.835 175.800 -0.052 0.000 1.090 91 F CA -1.181 56.970 58.000 0.252 0.000 0.945 91 F CB 1.123 40.346 39.000 0.371 0.000 1.156 91 F HN 0.488 8.788 8.300 -0.000 0.000 0.463 92 c N 0.977 119.426 118.600 -0.253 0.000 2.399 92 c HA 1.021 5.591 4.570 0.001 0.000 0.348 92 c C -0.235 173.533 174.090 -0.537 0.000 1.183 92 c CA -0.740 55.078 56.329 -0.852 0.000 2.023 92 c CB 0.639 42.330 42.510 -1.365 0.000 2.361 92 c HN 1.147 9.377 8.230 -0.000 0.000 0.521 93 A N 0.573 123.003 122.820 -0.651 0.000 2.594 93 A HA 0.665 4.985 4.320 0.001 0.000 0.295 93 A C -1.131 176.153 177.584 -0.499 0.000 1.071 93 A CA -0.344 51.292 52.037 -0.667 0.000 0.685 93 A CB 0.851 19.016 19.000 -1.391 0.000 1.285 93 A HN 1.173 9.323 8.150 -0.000 0.000 0.405 94 H N 1.518 120.285 119.070 -0.505 0.000 2.525 94 H HA 0.558 5.115 4.556 0.001 0.000 0.339 94 H C -0.479 174.578 175.328 -0.450 0.000 1.109 94 H CA -0.021 55.692 56.048 -0.559 0.000 1.352 94 H CB 0.802 30.194 29.762 -0.617 0.000 1.461 94 H HN 0.714 8.994 8.280 -0.000 0.000 0.533 95 R N 4.642 124.530 120.500 -1.020 0.000 2.476 95 R HA 0.269 4.610 4.340 0.001 0.000 0.305 95 R C -0.588 175.165 176.300 -0.912 0.000 0.965 95 R CA -0.815 54.867 56.100 -0.696 0.000 0.867 95 R CB 1.168 31.207 30.300 -0.436 0.000 1.176 95 R HN 0.706 8.976 8.270 -0.000 0.000 0.447 96 R N 1.157 121.350 120.500 -0.512 0.000 2.694 96 R HA 0.212 4.553 4.340 0.001 0.000 0.268 96 R C 0.298 176.476 176.300 -0.204 0.000 1.061 96 R CA 0.713 56.650 56.100 -0.273 0.000 1.133 96 R CB 0.885 31.154 30.300 -0.052 0.000 1.020 96 R HN 0.777 9.047 8.270 -0.000 0.000 0.475 97 G N 2.220 110.939 108.800 -0.135 0.000 2.511 97 G HA2 0.427 4.388 3.960 0.001 0.000 0.316 97 G HA3 0.427 4.388 3.960 0.001 0.000 0.316 97 G C -2.477 172.410 174.900 -0.021 0.000 1.210 97 G CA -1.411 43.610 45.100 -0.132 0.000 0.969 97 G HN 0.373 8.663 8.290 -0.000 0.000 0.492 98 P HA 0.152 4.572 4.420 -0.000 0.000 0.267 98 P C 0.700 178.090 177.300 0.150 0.000 1.200 98 P CA 0.056 63.219 63.100 0.106 0.000 0.772 98 P CB 0.563 32.368 31.700 0.174 0.000 0.855 99 T N 1.696 116.305 114.554 0.093 0.000 3.427 99 T HA 0.046 4.397 4.350 0.001 0.000 0.256 99 T C 0.619 175.366 174.700 0.078 0.000 1.172 99 T CA 0.634 62.782 62.100 0.080 0.000 1.018 99 T CB -0.689 68.208 68.868 0.048 0.000 0.981 99 T HN 0.199 8.439 8.240 -0.000 0.000 0.555 100 M N 2.823 122.469 119.600 0.076 0.000 2.094 100 M HA 0.183 4.664 4.480 0.001 0.000 0.348 100 M C 0.927 177.325 176.300 0.164 0.000 1.267 100 M CA -0.946 54.335 55.300 -0.031 0.000 1.125 100 M CB 0.856 33.335 32.600 -0.202 0.000 1.527 100 M HN 0.145 8.435 8.290 -0.000 0.000 0.447 101 D N 2.250 122.705 120.400 0.091 0.000 2.249 101 D HA 0.019 4.659 4.640 0.001 0.000 0.205 101 D C 0.139 176.568 176.300 0.215 0.000 0.962 101 D CA 0.596 54.692 54.000 0.159 0.000 0.860 101 D CB 0.383 41.245 40.800 0.104 0.000 0.955 101 D HN 0.313 8.684 8.370 -0.000 0.000 0.505 102 V N 0.094 120.120 119.914 0.187 0.000 2.686 102 V HA 0.409 4.530 4.120 0.001 0.000 0.306 102 V C -1.305 174.901 176.094 0.187 0.000 1.065 102 V CA -1.064 61.359 62.300 0.205 0.000 0.894 102 V CB 1.799 33.652 31.823 0.050 0.000 1.004 102 V HN 0.017 8.207 8.190 -0.000 0.000 0.424 103 W N 1.527 122.810 121.300 -0.029 0.000 2.706 103 W HA 0.785 5.446 4.660 0.001 0.000 0.346 103 W C 0.663 177.203 176.519 0.035 0.000 1.071 103 W CA -0.534 56.795 57.345 -0.026 0.000 1.206 103 W CB 1.693 31.090 29.460 -0.106 0.000 1.413 103 W HN 0.794 8.974 8.180 -0.000 0.000 0.542 104 G N 0.275 109.255 108.800 0.301 0.000 2.528 104 G HA2 0.276 4.237 3.960 0.001 0.000 0.289 104 G HA3 0.276 4.237 3.960 0.001 0.000 0.289 104 G C 0.588 175.716 174.900 0.380 0.000 1.192 104 G CA -0.472 44.784 45.100 0.260 0.000 0.921 104 G HN 0.645 8.935 8.290 -0.000 0.000 0.512 105 Q N -0.285 119.685 119.800 0.284 0.000 2.234 105 Q HA 0.225 4.566 4.340 0.001 0.000 0.206 105 Q C 1.052 177.291 176.000 0.399 0.000 0.980 105 Q CA 0.780 56.758 55.803 0.293 0.000 0.869 105 Q CB -0.232 28.613 28.738 0.178 0.000 0.912 105 Q HN 1.539 9.809 8.270 -0.000 0.000 0.436 106 G N 1.040 110.028 108.800 0.313 0.000 2.784 106 G HA2 -0.083 3.877 3.960 0.001 0.000 0.686 106 G HA3 -0.083 3.877 3.960 0.001 0.000 0.686 106 G C -1.393 173.492 174.900 -0.024 0.000 1.156 106 G CA -0.324 44.756 45.100 -0.033 0.000 0.757 106 G HN 0.403 8.693 8.290 -0.000 0.000 0.642 107 I N 1.377 121.929 120.570 -0.030 0.000 2.436 107 I HA 0.613 4.784 4.170 0.001 0.000 0.289 107 I C 0.353 176.499 176.117 0.048 0.000 1.010 107 I CA -0.765 60.563 61.300 0.046 0.000 1.098 107 I CB 1.729 39.793 38.000 0.107 0.000 1.266 107 I HN 0.602 8.812 8.210 -0.000 0.000 0.434 108 T N 6.768 121.346 114.554 0.039 0.000 2.761 108 T HA 0.359 4.709 4.350 0.001 0.000 0.296 108 T C -0.302 174.456 174.700 0.098 0.000 0.934 108 T CA -0.251 61.886 62.100 0.061 0.000 1.091 108 T CB 0.839 69.731 68.868 0.041 0.000 0.896 108 T HN 0.301 8.541 8.240 -0.000 0.000 0.515 109 V N 4.142 124.151 119.914 0.159 0.000 2.487 109 V HA 0.454 4.575 4.120 0.001 0.000 0.298 109 V C 0.215 176.403 176.094 0.157 0.000 1.028 109 V CA -0.838 61.542 62.300 0.133 0.000 0.860 109 V CB 2.084 33.956 31.823 0.082 0.000 0.991 109 V HN 0.911 9.101 8.190 -0.000 0.000 0.427 110 T N 6.100 120.740 114.554 0.143 0.000 2.779 110 T HA 0.631 4.982 4.350 0.001 0.000 0.280 110 T C -0.249 174.545 174.700 0.157 0.000 0.987 110 T CA -0.164 62.045 62.100 0.183 0.000 0.966 110 T CB 0.999 70.023 68.868 0.260 0.000 0.933 110 T HN 0.405 8.645 8.240 -0.000 0.000 0.442 111 I N 3.053 123.693 120.570 0.117 0.000 2.328 111 I HA 0.539 4.709 4.170 0.001 0.000 0.287 111 I C 0.163 176.293 176.117 0.022 0.000 1.012 111 I CA -0.343 60.995 61.300 0.062 0.000 1.195 111 I CB 1.201 39.223 38.000 0.036 0.000 1.350 111 I HN 0.533 8.743 8.210 -0.000 0.000 0.464 112 S N 2.992 118.688 115.700 -0.008 0.000 2.537 112 S HA 0.268 4.738 4.470 0.001 0.000 0.271 112 S C 0.509 174.993 174.600 -0.194 0.000 1.148 112 S CA -0.469 57.641 58.200 -0.151 0.000 0.868 112 S CB 1.727 64.749 63.200 -0.296 0.000 1.115 112 S HN 0.640 8.950 8.310 -0.000 0.000 0.461 113 S N 1.834 117.405 115.700 -0.214 0.000 2.593 113 S HA 0.164 4.635 4.470 0.001 0.000 0.217 113 S C 0.765 175.218 174.600 -0.246 0.000 0.966 113 S CA -0.035 58.061 58.200 -0.173 0.000 0.914 113 S CB -0.375 62.749 63.200 -0.126 0.000 0.776 113 S HN 0.678 8.988 8.310 -0.000 0.000 0.523 114 T N 3.348 117.614 114.554 -0.481 0.000 2.932 114 T HA 0.273 4.624 4.350 0.001 0.000 0.312 114 T C 0.277 174.761 174.700 -0.361 0.000 1.071 114 T CA 0.199 61.972 62.100 -0.545 0.000 1.128 114 T CB 0.803 69.094 68.868 -0.961 0.000 0.984 114 T HN 0.306 8.546 8.240 -0.000 0.000 0.549 115 S N 1.487 117.107 115.700 -0.133 0.000 2.672 115 S HA 0.345 4.815 4.470 0.001 0.000 0.276 115 S C 0.459 175.182 174.600 0.204 0.000 1.207 115 S CA -0.843 57.385 58.200 0.046 0.000 1.002 115 S CB 0.954 64.178 63.200 0.040 0.000 0.998 115 S HN 0.753 9.063 8.310 -0.000 0.000 0.542 116 T N 2.913 117.635 114.554 0.280 0.000 2.923 116 T HA 0.119 4.470 4.350 0.001 0.000 0.304 116 T C 0.027 174.893 174.700 0.277 0.000 1.044 116 T CA 0.681 62.984 62.100 0.339 0.000 1.141 116 T CB -0.180 68.821 68.868 0.220 0.000 1.023 116 T HN 0.511 8.751 8.240 -0.000 0.000 0.533 117 K N 1.417 122.025 120.400 0.348 0.000 2.561 117 K HA 0.493 4.814 4.320 0.001 0.000 0.254 117 K C -0.122 176.602 176.600 0.207 0.000 0.942 117 K CA -0.713 55.717 56.287 0.237 0.000 0.818 117 K CB 1.413 34.017 32.500 0.174 0.000 1.306 117 K HN 0.728 8.978 8.250 -0.000 0.000 0.435 118 G N 3.611 112.506 108.800 0.159 0.000 2.503 118 G HA2 0.356 4.317 3.960 0.001 0.000 0.257 118 G HA3 0.356 4.317 3.960 0.001 0.000 0.257 118 G C -2.357 172.546 174.900 0.005 0.000 1.214 118 G CA -1.004 44.145 45.100 0.082 0.000 0.839 118 G HN 0.453 8.743 8.290 -0.000 0.000 0.559 119 P HA 0.213 4.633 4.420 -0.000 0.000 0.274 119 P C -0.369 176.877 177.300 -0.091 0.000 1.237 119 P CA -0.317 62.769 63.100 -0.023 0.000 0.793 119 P CB 1.376 33.014 31.700 -0.103 0.000 0.977 120 S N 0.379 115.996 115.700 -0.140 0.000 2.508 120 S HA 0.394 4.864 4.470 0.001 0.000 0.284 120 S C -0.123 174.111 174.600 -0.610 0.000 1.192 120 S CA -0.597 57.380 58.200 -0.371 0.000 1.070 120 S CB 0.787 63.767 63.200 -0.366 0.000 1.004 120 S HN 0.212 8.522 8.310 -0.000 0.000 0.493 121 V N 4.403 123.919 119.914 -0.664 0.000 2.384 121 V HA 0.543 4.663 4.120 0.001 0.000 0.287 121 V C -0.943 174.800 176.094 -0.584 0.000 1.020 121 V CA -0.514 61.486 62.300 -0.500 0.000 0.850 121 V CB 0.530 32.204 31.823 -0.248 0.000 0.987 121 V HN 0.778 8.968 8.190 -0.000 0.000 0.436 122 F N 5.602 125.579 119.950 0.045 0.000 2.561 122 F HA 0.661 5.189 4.527 0.001 0.000 0.321 122 F C -2.176 173.664 175.800 0.066 0.000 1.065 122 F CA -2.663 55.366 58.000 0.049 0.000 0.934 122 F CB 2.273 41.301 39.000 0.047 0.000 1.215 122 F HN 0.286 8.586 8.300 -0.000 0.000 0.471 123 P HA 0.286 4.706 4.420 -0.000 0.000 0.278 123 P C -1.186 176.223 177.300 0.181 0.000 1.238 123 P CA -0.216 63.002 63.100 0.197 0.000 0.794 123 P CB 1.615 33.411 31.700 0.160 0.000 0.955 124 L N 2.074 123.401 121.223 0.174 0.000 2.345 124 L HA 0.633 4.974 4.340 0.001 0.000 0.274 124 L C 0.123 177.054 176.870 0.100 0.000 0.999 124 L CA -0.582 54.336 54.840 0.130 0.000 0.849 124 L CB 1.443 43.586 42.059 0.141 0.000 1.220 124 L HN 0.406 8.636 8.230 -0.000 0.000 0.422 125 A N 4.922 127.785 122.820 0.072 0.000 2.365 125 A HA 0.927 5.248 4.320 0.001 0.000 0.318 125 A C -2.199 175.401 177.584 0.026 0.000 1.091 125 A CA -1.242 50.825 52.037 0.050 0.000 0.763 125 A CB 0.887 19.923 19.000 0.061 0.000 1.248 125 A HN 0.502 8.652 8.150 -0.000 0.000 0.442 134 A N 1.217 124.032 122.820 -0.009 0.000 3.135 134 A HA 0.789 5.110 4.320 0.001 0.000 0.253 134 A C 0.868 178.442 177.584 -0.017 0.000 1.638 134 A CA 0.816 52.847 52.037 -0.010 0.000 1.295 134 A CB -0.921 18.075 19.000 -0.007 0.000 1.106 134 A HN 1.354 9.504 8.150 -0.000 0.000 0.648 135 A N 0.382 123.189 122.820 -0.023 0.000 2.302 135 A HA 0.784 5.105 4.320 0.001 0.000 0.285 135 A C 0.468 178.025 177.584 -0.046 0.000 1.105 135 A CA 0.203 52.217 52.037 -0.037 0.000 0.816 135 A CB 0.625 19.602 19.000 -0.038 0.000 1.067 135 A HN 1.507 9.657 8.150 -0.000 0.000 0.489 136 A N 0.178 122.955 122.820 -0.072 0.000 2.356 136 A HA 0.863 5.184 4.320 0.001 0.000 0.323 136 A C -0.076 177.433 177.584 -0.126 0.000 1.119 136 A CA -0.028 51.959 52.037 -0.082 0.000 0.790 136 A CB 1.337 20.287 19.000 -0.083 0.000 1.273 136 A HN 2.279 10.429 8.150 -0.000 0.000 0.452 137 A N 1.018 123.771 122.820 -0.112 0.000 2.401 137 A HA 0.837 5.158 4.320 0.001 0.000 0.310 137 A C -0.609 176.893 177.584 -0.137 0.000 1.075 137 A CA -0.453 51.503 52.037 -0.135 0.000 0.746 137 A CB 0.895 19.855 19.000 -0.066 0.000 1.277 137 A HN 1.898 10.048 8.150 -0.000 0.000 0.425 138 L N -0.888 120.217 121.223 -0.197 0.000 2.630 138 L HA 1.069 5.410 4.340 0.001 0.000 0.258 138 L C -0.103 176.711 176.870 -0.093 0.000 1.072 138 L CA -0.519 54.251 54.840 -0.116 0.000 0.885 138 L CB 1.500 43.482 42.059 -0.128 0.000 1.502 138 L HN 1.359 9.589 8.230 -0.000 0.000 0.406 139 G N -0.860 108.017 108.800 0.128 0.000 2.428 139 G HA2 0.541 4.502 3.960 0.001 0.000 0.305 139 G HA3 0.541 4.502 3.960 0.001 0.000 0.305 139 G C -2.088 173.103 174.900 0.487 0.000 1.260 139 G CA -0.334 44.990 45.100 0.373 0.000 0.853 139 G HN 0.807 9.097 8.290 -0.000 0.000 0.480 140 c N -0.663 118.212 118.600 0.458 0.000 2.698 140 c HA 0.731 5.301 4.570 0.001 0.000 0.309 140 c C -0.776 173.447 174.090 0.221 0.000 1.186 140 c CA -0.548 55.936 56.329 0.257 0.000 1.474 140 c CB 0.943 43.509 42.510 0.093 0.000 2.020 140 c HN 0.820 9.050 8.230 -0.000 0.000 0.474 141 L N 3.952 125.289 121.223 0.191 0.000 2.294 141 L HA 0.667 5.008 4.340 0.001 0.000 0.283 141 L C -0.643 176.315 176.870 0.146 0.000 1.015 141 L CA 0.120 55.081 54.840 0.201 0.000 0.831 141 L CB 1.087 43.303 42.059 0.262 0.000 1.217 141 L HN 0.515 8.745 8.230 -0.000 0.000 0.420 142 V N 5.632 125.630 119.914 0.140 0.000 2.304 142 V HA 0.361 4.482 4.120 0.001 0.000 0.262 142 V C 0.303 176.526 176.094 0.215 0.000 1.061 142 V CA -0.500 61.859 62.300 0.099 0.000 0.872 142 V CB 0.317 32.184 31.823 0.073 0.000 1.077 142 V HN 0.713 8.903 8.190 -0.000 0.000 0.480 143 K N 3.010 123.502 120.400 0.152 0.000 2.164 143 K HA 0.397 4.718 4.320 0.001 0.000 0.258 143 K C -0.540 176.167 176.600 0.177 0.000 0.951 143 K CA -0.531 55.876 56.287 0.199 0.000 0.844 143 K CB 0.857 33.523 32.500 0.277 0.000 1.099 143 K HN 0.636 8.886 8.250 -0.000 0.000 0.435 144 D N 2.144 122.618 120.400 0.123 0.000 2.760 144 D HA -0.216 4.425 4.640 0.001 0.000 0.244 144 D C -1.226 175.146 176.300 0.119 0.000 1.123 144 D CA 1.201 55.245 54.000 0.074 0.000 0.719 144 D CB -1.477 39.374 40.800 0.085 0.000 1.045 144 D HN 0.514 8.884 8.370 -0.000 0.000 0.426 145 Y N -1.707 118.623 120.300 0.050 0.000 2.602 145 Y HA 0.821 5.372 4.550 0.001 0.000 0.342 145 Y C -0.962 175.064 175.900 0.210 0.000 1.029 145 Y CA -1.679 56.395 58.100 -0.042 0.000 1.080 145 Y CB 1.685 39.934 38.460 -0.351 0.000 1.284 145 Y HN -0.034 8.246 8.280 -0.000 0.000 0.485 146 F N 2.890 122.985 119.950 0.240 0.000 2.672 146 F HA 0.610 5.138 4.527 0.001 0.000 0.311 146 F C -3.001 173.077 175.800 0.463 0.000 1.113 146 F CA -1.856 56.355 58.000 0.352 0.000 0.996 146 F CB 2.426 41.535 39.000 0.182 0.000 1.286 146 F HN 0.452 8.752 8.300 -0.000 0.000 0.441 147 P HA 0.255 4.675 4.420 -0.000 0.000 0.321 147 P C -0.993 176.263 177.300 -0.073 0.000 1.304 147 P CA -0.259 62.347 63.100 -0.823 0.000 0.759 147 P CB 1.195 32.341 31.700 -0.923 0.000 1.385 148 E N 0.182 120.191 120.200 -0.318 0.000 2.392 148 E HA 0.223 4.573 4.350 0.001 0.000 0.259 148 E C -1.708 174.835 176.600 -0.095 0.000 1.108 148 E CA -0.849 55.418 56.400 -0.222 0.000 0.916 148 E CB -0.222 29.219 29.700 -0.431 0.000 0.989 148 E HN 0.439 8.799 8.360 -0.000 0.000 0.432 149 P HA 0.392 4.812 4.420 -0.000 0.000 0.293 149 P C -1.123 176.165 177.300 -0.019 0.000 1.305 149 P CA -0.609 62.467 63.100 -0.040 0.000 0.874 149 P CB 1.670 33.334 31.700 -0.060 0.000 1.288 150 V N -0.459 119.397 119.914 -0.097 0.000 2.962 150 V HA 0.649 4.770 4.120 0.001 0.000 0.313 150 V C -0.762 175.263 176.094 -0.115 0.000 1.099 150 V CA -0.446 61.746 62.300 -0.181 0.000 0.971 150 V CB 2.157 33.657 31.823 -0.538 0.000 1.028 150 V HN 0.908 9.098 8.190 -0.000 0.000 0.430 151 T N 2.580 117.070 114.554 -0.107 0.000 2.856 151 T HA 0.834 5.185 4.350 0.001 0.000 0.283 151 T C -0.950 173.694 174.700 -0.093 0.000 1.008 151 T CA -0.678 61.375 62.100 -0.077 0.000 0.997 151 T CB 1.569 70.397 68.868 -0.066 0.000 0.992 151 T HN 0.643 8.883 8.240 -0.000 0.000 0.454 152 V N 2.638 122.510 119.914 -0.071 0.000 2.709 152 V HA 0.807 4.928 4.120 0.001 0.000 0.308 152 V C -0.090 175.949 176.094 -0.091 0.000 1.062 152 V CA -0.713 61.520 62.300 -0.112 0.000 0.901 152 V CB 1.938 33.716 31.823 -0.076 0.000 1.003 152 V HN 1.317 9.507 8.190 -0.000 0.000 0.425 153 S N 2.519 118.109 115.700 -0.183 0.000 2.661 153 S HA 0.830 5.300 4.470 0.001 0.000 0.285 153 S C -1.796 172.622 174.600 -0.304 0.000 1.138 153 S CA -0.820 57.325 58.200 -0.091 0.000 0.855 153 S CB 1.936 65.112 63.200 -0.041 0.000 1.136 153 S HN 0.501 8.811 8.310 -0.000 0.000 0.484 154 W N 0.757 122.068 121.300 0.018 0.000 2.666 154 W HA 0.552 5.212 4.660 0.001 0.000 0.334 154 W C -0.271 176.266 176.519 0.029 0.000 1.051 154 W CA -0.228 57.141 57.345 0.041 0.000 1.224 154 W CB 0.747 30.246 29.460 0.066 0.000 1.405 154 W HN 0.818 8.998 8.180 -0.000 0.000 0.513 155 N N 1.909 120.721 118.700 0.187 0.000 2.686 155 N HA -0.240 4.501 4.740 0.001 0.000 0.261 155 N C 0.248 175.785 175.510 0.045 0.000 1.001 155 N CA 1.578 54.686 53.050 0.097 0.000 0.764 155 N CB -1.618 36.933 38.487 0.107 0.000 0.898 155 N HN 0.566 8.946 8.380 -0.000 0.000 0.544 156 S N -2.709 112.993 115.700 0.003 0.000 3.402 156 S HA -0.187 4.284 4.470 0.001 0.000 0.329 156 S C 1.427 176.030 174.600 0.005 0.000 1.194 156 S CA 2.028 60.221 58.200 -0.012 0.000 0.951 156 S CB -1.497 61.695 63.200 -0.013 0.000 0.975 156 S HN 1.657 9.967 8.310 -0.000 0.000 0.574 157 G N -0.727 108.092 108.800 0.032 0.000 2.201 157 G HA2 -0.031 3.930 3.960 0.001 0.000 0.212 157 G HA3 -0.031 3.930 3.960 0.001 0.000 0.212 157 G C 0.702 175.633 174.900 0.052 0.000 0.994 157 G CA 0.744 45.868 45.100 0.040 0.000 0.644 157 G HN 1.599 9.889 8.290 -0.000 0.000 0.508 158 A N -0.482 122.372 122.820 0.057 0.000 2.123 158 A HA 0.624 4.945 4.320 0.001 0.000 0.214 158 A C 1.130 178.756 177.584 0.070 0.000 1.152 158 A CA 0.912 52.979 52.037 0.050 0.000 0.728 158 A CB 0.123 19.143 19.000 0.033 0.000 0.814 158 A HN 0.839 8.989 8.150 -0.000 0.000 0.464 159 L N 1.244 122.541 121.223 0.123 0.000 2.265 159 L HA 0.332 4.672 4.340 0.001 0.000 0.289 159 L C 0.927 177.872 176.870 0.125 0.000 1.033 159 L CA 0.369 55.293 54.840 0.140 0.000 0.814 159 L CB 1.636 43.841 42.059 0.242 0.000 1.203 159 L HN 0.476 8.706 8.230 -0.000 0.000 0.423 160 T N -1.970 112.616 114.554 0.053 0.000 3.105 160 T HA 0.051 4.402 4.350 0.001 0.000 0.257 160 T C 0.770 175.444 174.700 -0.042 0.000 0.949 160 T CA 0.280 62.392 62.100 0.021 0.000 0.959 160 T CB 0.113 68.993 68.868 0.020 0.000 1.205 160 T HN 0.528 8.768 8.240 -0.000 0.000 0.496 161 S N 1.200 116.874 115.700 -0.043 0.000 2.531 161 S HA 0.494 4.965 4.470 0.001 0.000 0.279 161 S C 1.534 176.048 174.600 -0.143 0.000 1.305 161 S CA 0.312 58.465 58.200 -0.079 0.000 1.058 161 S CB 0.234 63.405 63.200 -0.048 0.000 0.899 161 S HN 1.658 9.968 8.310 -0.000 0.000 0.493 162 G N 1.524 110.195 108.800 -0.215 0.000 2.159 162 G HA2 -0.224 3.737 3.960 0.001 0.000 0.256 162 G HA3 -0.224 3.737 3.960 0.001 0.000 0.256 162 G C 0.004 174.629 174.900 -0.458 0.000 0.977 162 G CA -0.006 44.907 45.100 -0.312 0.000 0.652 162 G HN 1.175 9.465 8.290 -0.000 0.000 0.531 163 V N 0.722 120.388 119.914 -0.413 0.000 2.498 163 V HA 0.561 4.682 4.120 0.001 0.000 0.279 163 V C 0.239 176.075 176.094 -0.429 0.000 1.048 163 V CA -0.287 61.788 62.300 -0.374 0.000 0.967 163 V CB 1.277 33.011 31.823 -0.148 0.000 0.988 163 V HN 0.412 8.602 8.190 -0.000 0.000 0.473 164 H N 1.615 120.597 119.070 -0.147 0.000 2.906 164 H HA 0.408 4.965 4.556 0.001 0.000 0.324 164 H C -0.466 174.692 175.328 -0.282 0.000 0.973 164 H CA -0.465 55.412 56.048 -0.285 0.000 1.321 164 H CB 1.561 31.067 29.762 -0.426 0.000 1.535 164 H HN 0.595 8.875 8.280 -0.000 0.000 0.518 165 T N 4.790 119.287 114.554 -0.096 0.000 2.770 165 T HA 0.224 4.575 4.350 0.001 0.000 0.297 165 T C -0.199 174.424 174.700 -0.129 0.000 0.997 165 T CA -0.568 61.539 62.100 0.012 0.000 0.949 165 T CB -0.079 68.845 68.868 0.094 0.000 0.941 165 T HN 0.215 8.455 8.240 -0.000 0.000 0.457 166 F N 4.849 124.874 119.950 0.126 0.000 2.406 166 F HA 0.369 4.897 4.527 0.001 0.000 0.327 166 F C -1.318 174.535 175.800 0.089 0.000 1.153 166 F CA -2.236 55.819 58.000 0.090 0.000 1.218 166 F CB 0.060 39.108 39.000 0.081 0.000 1.215 166 F HN 0.326 8.626 8.300 -0.000 0.000 0.570 167 P HA 0.203 4.623 4.420 -0.000 0.000 0.271 167 P C -0.950 176.472 177.300 0.203 0.000 1.216 167 P CA -0.350 62.853 63.100 0.171 0.000 0.776 167 P CB 0.790 32.570 31.700 0.134 0.000 0.881 168 A N 2.958 125.886 122.820 0.179 0.000 2.425 168 A HA 0.432 4.752 4.320 0.001 0.000 0.242 168 A C 0.428 178.141 177.584 0.214 0.000 1.077 168 A CA -0.328 51.832 52.037 0.206 0.000 0.781 168 A CB -0.051 19.061 19.000 0.186 0.000 1.020 168 A HN 0.483 8.633 8.150 -0.000 0.000 0.494 169 V N 0.518 120.552 119.914 0.199 0.000 2.667 169 V HA 0.630 4.751 4.120 0.001 0.000 0.308 169 V C -0.043 176.136 176.094 0.140 0.000 1.048 169 V CA -0.977 61.415 62.300 0.153 0.000 0.928 169 V CB 1.472 33.343 31.823 0.079 0.000 1.004 169 V HN 0.820 9.010 8.190 -0.000 0.000 0.444 170 L N 3.727 124.975 121.223 0.041 0.000 2.261 170 L HA 0.442 4.783 4.340 0.001 0.000 0.289 170 L C 0.393 177.177 176.870 -0.143 0.000 1.059 170 L CA -0.168 54.536 54.840 -0.226 0.000 0.816 170 L CB 1.161 43.067 42.059 -0.254 0.000 1.191 170 L HN 0.902 9.132 8.230 -0.000 0.000 0.431 171 Q N 1.570 121.277 119.800 -0.154 0.000 2.382 171 Q HA 0.061 4.402 4.340 0.001 0.000 0.229 171 Q C 1.321 177.258 176.000 -0.106 0.000 1.006 171 Q CA 0.150 55.895 55.803 -0.096 0.000 0.916 171 Q CB 0.871 29.563 28.738 -0.076 0.000 1.235 171 Q HN 0.782 9.052 8.270 -0.000 0.000 0.512 172 S N -0.459 115.198 115.700 -0.073 0.000 2.442 172 S HA -0.186 4.285 4.470 0.001 0.000 0.236 172 S C 1.794 176.343 174.600 -0.085 0.000 1.007 172 S CA 1.227 59.385 58.200 -0.070 0.000 0.965 172 S CB -0.378 62.794 63.200 -0.047 0.000 0.773 172 S HN 0.683 8.993 8.310 -0.000 0.000 0.504 173 S N 0.830 116.476 115.700 -0.090 0.000 2.481 173 S HA 0.321 4.792 4.470 0.001 0.000 0.231 173 S C 1.720 176.230 174.600 -0.150 0.000 0.996 173 S CA 0.729 58.869 58.200 -0.099 0.000 0.942 173 S CB -0.863 62.290 63.200 -0.079 0.000 0.768 173 S HN 1.568 9.878 8.310 -0.000 0.000 0.520 174 G N 0.252 108.938 108.800 -0.190 0.000 2.159 174 G HA2 -0.167 3.794 3.960 0.001 0.000 0.227 174 G HA3 -0.167 3.794 3.960 0.001 0.000 0.227 174 G C -0.196 174.495 174.900 -0.347 0.000 0.986 174 G CA 0.120 45.051 45.100 -0.281 0.000 0.651 174 G HN 0.524 8.814 8.290 -0.000 0.000 0.523 175 L N -0.235 120.838 121.223 -0.250 0.000 2.330 175 L HA 0.725 5.065 4.340 0.001 0.000 0.271 175 L C 0.434 177.146 176.870 -0.264 0.000 1.013 175 L CA -1.583 53.156 54.840 -0.169 0.000 0.816 175 L CB 1.185 43.194 42.059 -0.082 0.000 1.287 175 L HN 0.075 8.305 8.230 -0.000 0.000 0.435 176 Y N 0.204 120.310 120.300 -0.323 0.000 2.334 176 Y HA 0.505 5.056 4.550 0.001 0.000 0.325 176 Y C 0.549 176.153 175.900 -0.493 0.000 1.308 176 Y CA -0.025 57.779 58.100 -0.494 0.000 1.389 176 Y CB 1.742 39.689 38.460 -0.855 0.000 1.328 176 Y HN 0.472 8.752 8.280 -0.000 0.000 0.532 177 S N 1.535 117.213 115.700 -0.036 0.000 2.535 177 S HA 0.729 5.200 4.470 0.001 0.000 0.272 177 S C -2.073 172.640 174.600 0.190 0.000 1.149 177 S CA -0.676 57.581 58.200 0.095 0.000 0.888 177 S CB 0.589 63.836 63.200 0.079 0.000 1.110 177 S HN 0.627 8.937 8.310 -0.000 0.000 0.463 178 L N 1.665 123.047 121.223 0.265 0.000 2.469 178 L HA 0.998 5.339 4.340 0.001 0.000 0.256 178 L C -0.624 176.388 176.870 0.237 0.000 1.006 178 L CA -0.514 54.478 54.840 0.254 0.000 0.832 178 L CB 1.513 43.750 42.059 0.296 0.000 1.421 178 L HN 0.643 8.873 8.230 -0.000 0.000 0.410 179 S N 0.249 116.106 115.700 0.263 0.000 2.607 179 S HA 0.895 5.366 4.470 0.001 0.000 0.303 179 S C -0.458 174.403 174.600 0.436 0.000 1.086 179 S CA -0.371 57.999 58.200 0.284 0.000 0.995 179 S CB 1.565 64.871 63.200 0.176 0.000 1.084 179 S HN 1.146 9.456 8.310 -0.000 0.000 0.507 180 S N 0.892 116.844 115.700 0.421 0.000 2.672 180 S HA 0.675 5.146 4.470 0.001 0.000 0.291 180 S C -0.618 174.286 174.600 0.506 0.000 1.145 180 S CA -0.425 58.061 58.200 0.477 0.000 1.013 180 S CB 0.435 63.922 63.200 0.479 0.000 1.017 180 S HN 1.581 9.891 8.310 -0.000 0.000 0.487 181 V N 2.368 122.484 119.914 0.337 0.000 3.126 181 V HA 1.017 5.138 4.120 0.001 0.000 0.314 181 V C -0.725 175.197 176.094 -0.287 0.000 1.138 181 V CA -0.714 61.638 62.300 0.086 0.000 1.034 181 V CB 1.587 33.512 31.823 0.171 0.000 1.075 181 V HN 0.813 9.003 8.190 -0.000 0.000 0.442 182 V N 0.454 120.062 119.914 -0.511 0.000 2.851 182 V HA 0.691 4.812 4.120 0.001 0.000 0.307 182 V C -0.426 175.406 176.094 -0.437 0.000 1.129 182 V CA 0.246 62.181 62.300 -0.608 0.000 0.932 182 V CB 2.346 33.554 31.823 -1.025 0.000 1.024 182 V HN 1.224 9.414 8.190 -0.000 0.000 0.426 183 T N 5.918 120.279 114.554 -0.322 0.000 2.824 183 T HA 0.761 5.112 4.350 0.001 0.000 0.280 183 T C -0.541 174.024 174.700 -0.225 0.000 0.995 183 T CA -0.119 61.844 62.100 -0.228 0.000 1.009 183 T CB 1.289 70.075 68.868 -0.136 0.000 0.955 183 T HN 1.240 9.480 8.240 -0.000 0.000 0.452 184 V N 1.875 121.664 119.914 -0.207 0.000 3.159 184 V HA 0.739 4.859 4.120 0.001 0.000 0.308 184 V C -3.096 172.949 176.094 -0.082 0.000 1.190 184 V CA -3.272 58.943 62.300 -0.141 0.000 1.037 184 V CB 1.515 33.233 31.823 -0.175 0.000 1.060 184 V HN 0.491 8.681 8.190 -0.000 0.000 0.437 185 P HA 0.131 4.551 4.420 -0.000 0.000 0.264 185 P C 0.906 178.199 177.300 -0.012 0.000 1.193 185 P CA 0.426 63.517 63.100 -0.016 0.000 0.763 185 P CB 0.917 32.619 31.700 0.003 0.000 0.810 186 S N 2.218 117.909 115.700 -0.016 0.000 2.559 186 S HA -0.134 4.336 4.470 0.001 0.000 0.250 186 S C 1.497 176.102 174.600 0.008 0.000 0.977 186 S CA 1.651 59.844 58.200 -0.012 0.000 0.958 186 S CB -0.702 62.491 63.200 -0.011 0.000 0.751 186 S HN 0.573 8.883 8.310 -0.000 0.000 0.534 187 S N -0.871 114.840 115.700 0.018 0.000 2.468 187 S HA 0.132 4.603 4.470 0.001 0.000 0.226 187 S C 1.846 176.479 174.600 0.056 0.000 1.051 187 S CA 0.531 58.749 58.200 0.030 0.000 0.943 187 S CB -0.512 62.702 63.200 0.023 0.000 0.810 187 S HN 0.387 8.697 8.310 -0.000 0.000 0.509 188 S N 2.192 117.939 115.700 0.077 0.000 2.420 188 S HA 0.087 4.558 4.470 0.001 0.000 0.237 188 S C 1.008 175.733 174.600 0.208 0.000 1.023 188 S CA 0.563 58.848 58.200 0.142 0.000 0.991 188 S CB -0.816 62.511 63.200 0.212 0.000 0.792 188 S HN 0.453 8.763 8.310 -0.000 0.000 0.488 193 T N 0.258 114.551 114.554 -0.436 0.000 2.925 193 T HA 0.798 5.148 4.350 0.001 0.000 0.285 193 T C -0.871 173.457 174.700 -0.620 0.000 1.021 193 T CA -0.340 61.532 62.100 -0.380 0.000 1.042 193 T CB 0.774 69.564 68.868 -0.129 0.000 1.037 193 T HN 0.426 8.666 8.240 -0.000 0.000 0.481 194 Y N 0.533 120.912 120.300 0.131 0.000 2.326 194 Y HA 0.571 5.121 4.550 0.001 0.000 0.329 194 Y C 0.544 176.617 175.900 0.289 0.000 0.973 194 Y CA -0.877 57.372 58.100 0.248 0.000 1.162 194 Y CB 2.251 40.854 38.460 0.237 0.000 1.147 194 Y HN 0.908 9.188 8.280 -0.000 0.000 0.456 195 T N 3.160 117.920 114.554 0.344 0.000 2.841 195 T HA 0.526 4.877 4.350 0.001 0.000 0.285 195 T C -0.562 174.015 174.700 -0.205 0.000 0.991 195 T CA -0.677 61.483 62.100 0.100 0.000 0.966 195 T CB -0.005 68.878 68.868 0.024 0.000 0.962 195 T HN 0.829 9.069 8.240 -0.000 0.000 0.438 196 c N 4.405 122.641 118.600 -0.606 0.000 2.388 196 c HA 0.743 5.314 4.570 0.001 0.000 0.362 196 c C 0.068 173.833 174.090 -0.542 0.000 1.266 196 c CA -1.061 54.590 56.329 -1.129 0.000 2.028 196 c CB -1.191 40.500 42.510 -1.365 0.000 2.440 196 c HN 0.928 9.158 8.230 -0.000 0.000 0.547 197 N N 1.845 120.273 118.700 -0.454 0.000 2.469 197 N HA 0.575 5.315 4.740 0.001 0.000 0.253 197 N C -0.974 174.392 175.510 -0.240 0.000 0.970 197 N CA -0.489 52.407 53.050 -0.258 0.000 0.940 197 N CB 1.657 40.038 38.487 -0.178 0.000 1.128 197 N HN 0.635 9.015 8.380 -0.000 0.000 0.503 198 V N 2.029 121.823 119.914 -0.199 0.000 2.513 198 V HA 0.449 4.570 4.120 0.001 0.000 0.299 198 V C -0.225 175.790 176.094 -0.131 0.000 1.035 198 V CA -0.816 61.381 62.300 -0.173 0.000 0.889 198 V CB 1.490 33.207 31.823 -0.176 0.000 0.988 198 V HN 0.794 8.984 8.190 -0.000 0.000 0.440 199 N N 1.742 120.370 118.700 -0.119 0.000 2.500 199 N HA 0.288 5.028 4.740 0.001 0.000 0.291 199 N C -1.262 174.208 175.510 -0.067 0.000 1.092 199 N CA -0.549 52.449 53.050 -0.086 0.000 0.890 199 N CB 1.098 39.535 38.487 -0.083 0.000 1.466 199 N HN 0.936 9.316 8.380 -0.000 0.000 0.507 200 H N 4.771 123.741 119.070 -0.168 0.000 2.683 200 H HA 0.175 4.732 4.556 0.001 0.000 0.270 200 H C 0.385 175.649 175.328 -0.106 0.000 1.201 200 H CA -0.564 55.374 56.048 -0.183 0.000 1.277 200 H CB 0.762 30.398 29.762 -0.210 0.000 1.400 200 H HN 0.529 8.809 8.280 -0.000 0.000 0.504 201 K N 3.524 123.755 120.400 -0.281 0.000 2.044 201 K HA -0.112 4.208 4.320 0.001 0.000 0.210 201 K C -0.901 175.509 176.600 -0.317 0.000 1.049 201 K CA 1.046 57.188 56.287 -0.241 0.000 0.927 201 K CB -1.198 31.198 32.500 -0.174 0.000 0.713 201 K HN 0.540 8.790 8.250 -0.000 0.000 0.443 202 P HA -0.159 4.261 4.420 -0.000 0.000 0.218 202 P C 1.156 178.318 177.300 -0.231 0.000 1.154 202 P CA 2.026 64.886 63.100 -0.399 0.000 0.872 202 P CB -0.023 31.365 31.700 -0.520 0.000 0.790 203 S N -3.497 112.065 115.700 -0.230 0.000 2.554 203 S HA 0.119 4.590 4.470 0.001 0.000 0.226 203 S C 0.299 174.910 174.600 0.019 0.000 0.980 203 S CA -0.438 57.785 58.200 0.037 0.000 0.939 203 S CB -0.905 62.453 63.200 0.263 0.000 0.832 203 S HN 0.054 8.364 8.310 -0.000 0.000 0.486 204 N N 1.412 120.087 118.700 -0.042 0.000 2.708 204 N HA -0.113 4.628 4.740 0.001 0.000 0.255 204 N C -1.220 174.289 175.510 -0.002 0.000 1.046 204 N CA 1.193 54.225 53.050 -0.029 0.000 0.715 204 N CB -1.809 36.666 38.487 -0.019 0.000 0.895 204 N HN 0.500 8.880 8.380 -0.000 0.000 0.545 205 T N 1.266 115.826 114.554 0.011 0.000 2.892 205 T HA 0.330 4.681 4.350 0.001 0.000 0.311 205 T C 0.270 174.960 174.700 -0.017 0.000 1.033 205 T CA -0.595 61.514 62.100 0.015 0.000 0.991 205 T CB 1.651 70.551 68.868 0.054 0.000 0.981 205 T HN 0.062 8.302 8.240 -0.000 0.000 0.457 206 K N 2.085 122.465 120.400 -0.034 0.000 2.164 206 K HA 0.819 5.140 4.320 0.001 0.000 0.258 206 K C -1.006 175.557 176.600 -0.062 0.000 0.951 206 K CA -0.858 55.397 56.287 -0.054 0.000 0.844 206 K CB 2.212 34.681 32.500 -0.052 0.000 1.099 206 K HN 0.253 8.503 8.250 -0.000 0.000 0.435 207 V N 2.249 122.113 119.914 -0.083 0.000 2.808 207 V HA 0.254 4.374 4.120 0.001 0.000 0.308 207 V C -1.376 174.653 176.094 -0.108 0.000 1.099 207 V CA -0.978 61.269 62.300 -0.089 0.000 0.920 207 V CB 2.323 34.082 31.823 -0.106 0.000 1.014 207 V HN 0.756 8.946 8.190 -0.000 0.000 0.425 208 D N 3.397 123.741 120.400 -0.093 0.000 2.391 208 D HA 0.443 5.084 4.640 0.001 0.000 0.245 208 D C -0.653 175.594 176.300 -0.088 0.000 1.069 208 D CA -0.408 53.529 54.000 -0.106 0.000 0.831 208 D CB 2.633 43.386 40.800 -0.078 0.000 1.204 208 D HN 0.468 8.838 8.370 -0.000 0.000 0.503 209 K N 2.236 122.571 120.400 -0.108 0.000 2.535 209 K HA 0.304 4.625 4.320 0.001 0.000 0.253 209 K C -0.569 176.020 176.600 -0.018 0.000 0.953 209 K CA -0.766 55.487 56.287 -0.057 0.000 0.863 209 K CB 1.802 34.269 32.500 -0.056 0.000 1.111 209 K HN 0.239 8.489 8.250 -0.000 0.000 0.431 210 R N 3.264 123.781 120.500 0.028 0.000 2.340 210 R HA 0.298 4.639 4.340 0.001 0.000 0.300 210 R C -1.147 175.229 176.300 0.127 0.000 1.069 210 R CA -0.406 55.744 56.100 0.083 0.000 0.984 210 R CB 0.881 31.218 30.300 0.062 0.000 1.003 210 R HN 0.319 8.589 8.270 -0.000 0.000 0.459 211 V N 5.285 125.325 119.914 0.211 0.000 2.448 211 V HA 0.359 4.479 4.120 0.001 0.000 0.295 211 V C -0.361 175.861 176.094 0.214 0.000 1.025 211 V CA -0.604 61.827 62.300 0.217 0.000 0.859 211 V CB 1.416 33.420 31.823 0.301 0.000 0.988 211 V HN 0.972 9.162 8.190 -0.000 0.000 0.431 212 E N 4.530 124.822 120.200 0.154 0.000 2.433 212 E HA 0.560 4.911 4.350 0.001 0.000 0.273 212 E C -2.942 173.717 176.600 0.098 0.000 0.950 212 E CA -2.521 53.964 56.400 0.141 0.000 0.796 212 E CB 1.939 31.710 29.700 0.119 0.000 1.330 212 E HN 0.295 8.655 8.360 -0.000 0.000 0.455 213 P HA -0.086 4.334 4.420 -0.000 0.000 0.238 213 P C -0.018 177.310 177.300 0.047 0.000 1.729 213 P CA 0.115 63.247 63.100 0.055 0.000 1.055 213 P CB -0.212 31.517 31.700 0.048 0.000 1.980 214 K N -0.183 120.247 120.400 0.050 0.000 2.470 214 K HA -0.345 3.975 4.320 0.001 0.000 0.104 214 K C 0.498 177.119 176.600 0.035 0.000 1.194 214 K CA 1.874 58.186 56.287 0.042 0.000 0.725 214 K CB -2.321 30.201 32.500 0.036 0.000 0.445 214 K HN 0.199 8.449 8.250 -0.000 0.000 1.067 215 S N -0.955 114.761 115.700 0.028 0.000 3.549 215 S HA -0.235 4.235 4.470 0.001 0.000 0.366 215 S C 0.684 175.298 174.600 0.024 0.000 1.012 215 S CA 1.160 59.374 58.200 0.023 0.000 1.141 215 S CB -2.377 60.836 63.200 0.021 0.000 0.910 215 S HN 1.187 9.497 8.310 -0.000 0.000 0.471 216 C N 0.000 119.315 119.300 0.026 0.000 2.653 216 C HA 0.000 4.461 4.460 0.001 0.000 0.325 216 C CA 0.000 59.033 59.018 0.025 0.000 1.963 216 C CB 0.000 27.752 27.740 0.020 0.000 2.134 216 C HN 0.000 8.230 8.230 -0.000 0.000 0.568