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 3l1j_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAGPEIVKLK KILREKAVPP GTEVPLDVMR KGMEKVAFKA ADDIQVEQVT DATA SEQUENCE VAGCAAEWVR APGCQAGKAI LYLHGGGYVM GSINTHRSMV GEISRASQAA DATA SEQUENCE ALLLDYRLAP EHPFPAAVED GVAAYRWLLD QGFKPQHLSI SGDSAGGGLV DATA SEQUENCE LAVLVSARDQ GLPMPASAIP ISPWADMTCT NDSFKTRAEA DPMXXXGGIN DATA SEQUENCE KMAARYLNGA DAKHPYASPN FANLKGLPPL LIHVGRDEVL LDDSIKLDAK DATA SEQUENCE AKADGVKSTL EIWDDMIHVW HAFHPMLPEG KQAIVRVGEF MREQWAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.276 176.300 -0.040 0.000 1.140 1 M CA 0.000 55.276 55.300 -0.040 0.000 0.988 1 M CB 0.000 32.580 32.600 -0.033 0.000 1.302 2 A N 3.267 126.063 122.820 -0.039 0.000 2.491 2 A HA 0.585 4.926 4.320 0.036 0.000 0.261 2 A C 0.815 178.382 177.584 -0.029 0.000 1.101 2 A CA 0.437 52.451 52.037 -0.039 0.000 0.772 2 A CB -0.548 18.428 19.000 -0.040 0.000 1.043 2 A HN 1.188 9.338 8.150 -0.000 0.000 0.501 3 G N 2.748 111.533 108.800 -0.024 0.000 2.690 3 G HA2 0.339 4.320 3.960 0.036 0.000 0.239 3 G HA3 0.339 4.320 3.960 0.036 0.000 0.239 3 G C -0.918 173.974 174.900 -0.015 0.000 1.233 3 G CA -0.344 44.747 45.100 -0.014 0.000 0.847 3 G HN 0.577 8.867 8.290 -0.000 0.000 0.588 4 P HA 0.015 4.435 4.420 -0.000 0.000 0.229 4 P C 0.901 178.194 177.300 -0.013 0.000 1.160 4 P CA 0.815 63.908 63.100 -0.012 0.000 0.777 4 P CB 0.480 32.175 31.700 -0.008 0.000 0.814 5 E N -0.106 120.090 120.200 -0.006 0.000 2.107 5 E HA -0.095 4.277 4.350 0.036 0.000 0.191 5 E C 1.928 178.515 176.600 -0.021 0.000 0.982 5 E CA 0.560 56.956 56.400 -0.006 0.000 0.809 5 E CB -0.997 28.709 29.700 0.011 0.000 0.756 5 E HN 0.142 8.502 8.360 -0.000 0.000 0.459 6 I N 0.020 120.577 120.570 -0.023 0.000 2.252 6 I HA -0.195 3.996 4.170 0.036 0.000 0.245 6 I C 1.935 178.018 176.117 -0.056 0.000 1.102 6 I CA 0.893 62.166 61.300 -0.045 0.000 1.385 6 I CB -0.162 37.811 38.000 -0.045 0.000 1.064 6 I HN -0.050 8.160 8.210 -0.000 0.000 0.414 7 V N 0.829 120.718 119.914 -0.043 0.000 2.255 7 V HA -0.345 3.796 4.120 0.036 0.000 0.247 7 V C 2.598 178.666 176.094 -0.043 0.000 1.051 7 V CA 2.336 64.612 62.300 -0.041 0.000 1.018 7 V CB -0.767 31.038 31.823 -0.031 0.000 0.641 7 V HN 0.448 8.638 8.190 -0.000 0.000 0.445 8 K N 0.174 120.551 120.400 -0.038 0.000 2.009 8 K HA -0.223 4.118 4.320 0.036 0.000 0.210 8 K C 1.971 178.537 176.600 -0.057 0.000 1.049 8 K CA 2.076 58.341 56.287 -0.037 0.000 0.929 8 K CB -0.779 31.706 32.500 -0.025 0.000 0.714 8 K HN 0.296 8.546 8.250 -0.000 0.000 0.440 9 L N 1.279 122.454 121.223 -0.080 0.000 2.042 9 L HA -0.173 4.188 4.340 0.036 0.000 0.210 9 L C 1.803 178.577 176.870 -0.159 0.000 1.076 9 L CA 1.928 56.681 54.840 -0.145 0.000 0.749 9 L CB -0.485 41.447 42.059 -0.212 0.000 0.893 9 L HN 0.187 8.417 8.230 -0.000 0.000 0.432 10 K N -0.549 119.778 120.400 -0.121 0.000 2.063 10 K HA -0.235 4.107 4.320 0.036 0.000 0.208 10 K C 2.264 178.821 176.600 -0.071 0.000 1.048 10 K CA 1.809 58.038 56.287 -0.097 0.000 0.928 10 K CB -0.199 32.258 32.500 -0.070 0.000 0.713 10 K HN 0.304 8.554 8.250 -0.000 0.000 0.442 11 K N 1.019 121.384 120.400 -0.057 0.000 2.057 11 K HA -0.092 4.249 4.320 0.036 0.000 0.206 11 K C 2.045 178.621 176.600 -0.039 0.000 1.050 11 K CA 1.115 57.378 56.287 -0.040 0.000 0.935 11 K CB -0.033 32.448 32.500 -0.032 0.000 0.715 11 K HN 0.053 8.303 8.250 -0.000 0.000 0.439 12 I N 1.144 121.686 120.570 -0.047 0.000 2.163 12 I HA -0.334 3.857 4.170 0.036 0.000 0.243 12 I C 2.144 178.237 176.117 -0.039 0.000 1.085 12 I CA 1.245 62.523 61.300 -0.038 0.000 1.347 12 I CB -0.222 37.756 38.000 -0.037 0.000 1.044 12 I HN 0.186 8.396 8.210 -0.000 0.000 0.408 13 L N 0.033 121.217 121.223 -0.065 0.000 2.046 13 L HA -0.199 4.163 4.340 0.036 0.000 0.208 13 L C 2.787 179.641 176.870 -0.027 0.000 1.077 13 L CA 1.421 56.231 54.840 -0.050 0.000 0.747 13 L CB -0.585 41.420 42.059 -0.089 0.000 0.896 13 L HN 0.182 8.412 8.230 -0.000 0.000 0.432 14 R N -0.021 120.461 120.500 -0.031 0.000 2.075 14 R HA -0.171 4.190 4.340 0.036 0.000 0.232 14 R C 2.176 178.467 176.300 -0.015 0.000 1.126 14 R CA 1.296 57.384 56.100 -0.020 0.000 0.963 14 R CB -0.301 29.986 30.300 -0.021 0.000 0.858 14 R HN 0.353 8.623 8.270 -0.000 0.000 0.435 15 E N 1.033 121.223 120.200 -0.017 0.000 2.086 15 E HA -0.233 4.138 4.350 0.036 0.000 0.200 15 E C 1.506 178.101 176.600 -0.008 0.000 1.012 15 E CA 1.969 58.361 56.400 -0.012 0.000 0.812 15 E CB 0.077 29.770 29.700 -0.012 0.000 0.743 15 E HN 0.345 8.705 8.360 -0.000 0.000 0.453 16 K N -0.401 119.994 120.400 -0.007 0.000 2.387 16 K HA 0.362 4.703 4.320 0.036 0.000 0.198 16 K C 0.062 176.663 176.600 0.000 0.000 1.022 16 K CA 0.062 56.347 56.287 -0.003 0.000 1.128 16 K CB 0.824 33.323 32.500 -0.002 0.000 0.853 16 K HN -0.033 8.217 8.250 -0.000 0.000 0.523 17 A N 1.428 124.248 122.820 -0.000 0.000 2.462 17 A HA 0.285 4.626 4.320 0.036 0.000 0.243 17 A C 0.186 177.771 177.584 0.002 0.000 1.076 17 A CA -0.497 51.541 52.037 0.003 0.000 0.773 17 A CB 0.418 19.419 19.000 0.001 0.000 1.010 17 A HN 0.134 8.284 8.150 -0.000 0.000 0.493 18 V N 4.398 124.314 119.914 0.003 0.000 2.614 18 V HA 0.170 4.312 4.120 0.036 0.000 0.291 18 V C -1.811 174.284 176.094 0.002 0.000 1.049 18 V CA -0.912 61.390 62.300 0.003 0.000 1.038 18 V CB 0.488 32.313 31.823 0.004 0.000 0.980 18 V HN 0.824 9.014 8.190 -0.000 0.000 0.481 19 P HA 0.134 4.554 4.420 -0.000 0.000 0.265 19 P C -2.546 174.755 177.300 0.002 0.000 1.187 19 P CA -0.786 62.315 63.100 0.001 0.000 0.766 19 P CB -0.313 31.388 31.700 0.001 0.000 0.820 20 P HA 0.017 4.437 4.420 -0.000 0.000 0.261 20 P C 0.968 178.269 177.300 0.003 0.000 1.173 20 P CA 1.470 64.572 63.100 0.002 0.000 0.760 20 P CB 0.033 31.734 31.700 0.003 0.000 0.783 21 G N 1.647 110.449 108.800 0.004 0.000 2.148 21 G HA2 -0.249 3.732 3.960 0.036 0.000 0.254 21 G HA3 -0.249 3.732 3.960 0.036 0.000 0.254 21 G C 0.432 175.335 174.900 0.005 0.000 0.981 21 G CA 0.264 45.367 45.100 0.005 0.000 0.670 21 G HN 0.782 9.072 8.290 -0.000 0.000 0.528 22 T N 0.653 115.210 114.554 0.005 0.000 2.851 22 T HA 0.436 4.808 4.350 0.036 0.000 0.298 22 T C 0.401 175.105 174.700 0.007 0.000 0.977 22 T CA -0.030 62.074 62.100 0.005 0.000 1.126 22 T CB 0.451 69.321 68.868 0.005 0.000 0.916 22 T HN 0.283 8.523 8.240 -0.000 0.000 0.529 23 E N 4.171 124.376 120.200 0.008 0.000 1.996 23 E HA 0.246 4.618 4.350 0.036 0.000 0.280 23 E C -0.478 176.129 176.600 0.011 0.000 1.092 23 E CA -0.388 56.018 56.400 0.011 0.000 0.862 23 E CB 1.008 30.715 29.700 0.011 0.000 1.066 23 E HN 0.400 8.759 8.360 -0.000 0.000 0.396 24 V N 5.648 125.570 119.914 0.013 0.000 2.406 24 V HA 0.168 4.309 4.120 0.036 0.000 0.272 24 V C -1.868 174.236 176.094 0.017 0.000 1.043 24 V CA -1.781 60.527 62.300 0.013 0.000 0.915 24 V CB 0.646 32.476 31.823 0.013 0.000 0.988 24 V HN 0.521 8.711 8.190 -0.000 0.000 0.466 25 P HA 0.117 4.537 4.420 -0.000 0.000 0.270 25 P C 1.053 178.366 177.300 0.022 0.000 1.223 25 P CA -0.262 62.849 63.100 0.018 0.000 0.785 25 P CB 0.810 32.519 31.700 0.014 0.000 0.923 26 L N 1.662 122.902 121.223 0.028 0.000 2.017 26 L HA -0.174 4.188 4.340 0.036 0.000 0.208 26 L C 1.925 178.812 176.870 0.027 0.000 1.073 26 L CA 2.168 57.029 54.840 0.035 0.000 0.745 26 L CB -0.546 41.539 42.059 0.043 0.000 0.894 26 L HN 0.595 8.825 8.230 -0.000 0.000 0.432 27 D N -0.835 119.578 120.400 0.021 0.000 2.263 27 D HA -0.159 4.502 4.640 0.036 0.000 0.208 27 D C 1.861 178.167 176.300 0.010 0.000 0.971 27 D CA 1.218 55.227 54.000 0.015 0.000 0.867 27 D CB 0.009 40.816 40.800 0.012 0.000 0.929 27 D HN 0.279 8.649 8.370 -0.000 0.000 0.492 28 V N 0.896 120.816 119.914 0.011 0.000 2.407 28 V HA -0.162 3.979 4.120 0.036 0.000 0.245 28 V C 2.781 178.879 176.094 0.007 0.000 1.041 28 V CA 1.257 63.561 62.300 0.007 0.000 1.040 28 V CB -0.379 31.448 31.823 0.007 0.000 0.671 28 V HN 0.168 8.358 8.190 -0.000 0.000 0.455 29 M N -0.715 118.893 119.600 0.013 0.000 2.132 29 M HA -0.147 4.354 4.480 0.036 0.000 0.263 29 M C 2.447 178.754 176.300 0.012 0.000 1.065 29 M CA 1.784 57.093 55.300 0.015 0.000 1.122 29 M CB -0.442 32.174 32.600 0.026 0.000 1.365 29 M HN 0.170 8.460 8.290 -0.000 0.000 0.411 30 R N 0.363 120.872 120.500 0.015 0.000 2.083 30 R HA -0.164 4.198 4.340 0.036 0.000 0.237 30 R C 2.172 178.469 176.300 -0.006 0.000 1.137 30 R CA 1.621 57.726 56.100 0.008 0.000 0.951 30 R CB -0.280 30.027 30.300 0.012 0.000 0.851 30 R HN 0.332 8.602 8.270 -0.000 0.000 0.434 31 K N -0.578 119.818 120.400 -0.006 0.000 2.057 31 K HA -0.049 4.292 4.320 0.036 0.000 0.206 31 K C 2.158 178.745 176.600 -0.021 0.000 1.050 31 K CA 1.213 57.492 56.287 -0.014 0.000 0.935 31 K CB -0.250 32.243 32.500 -0.010 0.000 0.715 31 K HN 0.293 8.543 8.250 -0.000 0.000 0.439 32 G N 1.283 110.073 108.800 -0.017 0.000 2.446 32 G HA2 -0.312 3.669 3.960 0.036 0.000 0.217 32 G HA3 -0.312 3.669 3.960 0.036 0.000 0.217 32 G C 1.467 176.343 174.900 -0.039 0.000 1.168 32 G CA 0.893 45.979 45.100 -0.024 0.000 0.771 32 G HN 0.178 8.468 8.290 -0.000 0.000 0.551 33 M N -0.025 119.556 119.600 -0.031 0.000 2.108 33 M HA -0.077 4.424 4.480 0.036 0.000 0.261 33 M C 2.550 178.807 176.300 -0.071 0.000 1.066 33 M CA 1.420 56.692 55.300 -0.046 0.000 1.107 33 M CB -0.074 32.515 32.600 -0.017 0.000 1.356 33 M HN 0.160 8.450 8.290 -0.000 0.000 0.406 34 E N 0.771 120.937 120.200 -0.057 0.000 2.047 34 E HA -0.224 4.148 4.350 0.036 0.000 0.191 34 E C 1.799 178.357 176.600 -0.070 0.000 0.987 34 E CA 1.814 58.176 56.400 -0.062 0.000 0.799 34 E CB -0.384 29.288 29.700 -0.047 0.000 0.752 34 E HN 0.628 8.988 8.360 -0.000 0.000 0.449 35 K N 0.996 121.359 120.400 -0.062 0.000 2.217 35 K HA -0.068 4.274 4.320 0.036 0.000 0.202 35 K C 1.877 178.422 176.600 -0.092 0.000 1.051 35 K CA 1.313 57.563 56.287 -0.062 0.000 0.952 35 K CB -0.424 32.049 32.500 -0.044 0.000 0.736 35 K HN 0.130 8.380 8.250 -0.000 0.000 0.453 36 V N -2.289 117.552 119.914 -0.122 0.000 3.649 36 V HA 0.424 4.566 4.120 0.036 0.000 0.275 36 V C 0.794 176.694 176.094 -0.324 0.000 1.281 36 V CA -0.337 61.847 62.300 -0.194 0.000 1.143 36 V CB -0.961 30.756 31.823 -0.176 0.000 0.892 36 V HN 0.334 8.524 8.190 -0.000 0.000 0.441 37 A N 0.646 123.321 122.820 -0.242 0.000 2.477 37 A HA 0.539 4.881 4.320 0.036 0.000 0.246 37 A C -0.249 177.186 177.584 -0.249 0.000 1.078 37 A CA -0.218 51.661 52.037 -0.263 0.000 0.770 37 A CB -0.374 18.540 19.000 -0.144 0.000 1.011 37 A HN 0.388 8.538 8.150 -0.000 0.000 0.494 38 F N 1.542 121.428 119.950 -0.107 0.000 2.529 38 F HA 0.177 4.725 4.527 0.035 0.000 0.365 38 F C 1.230 176.993 175.800 -0.063 0.000 1.102 38 F CA 0.350 58.296 58.000 -0.091 0.000 1.271 38 F CB 0.640 39.560 39.000 -0.133 0.000 1.120 38 F HN 0.525 8.825 8.300 -0.000 0.000 0.579 39 K N 2.292 122.807 120.400 0.193 0.000 2.412 39 K HA 0.390 4.731 4.320 0.036 0.000 0.281 39 K C 0.003 176.656 176.600 0.088 0.000 1.027 39 K CA -0.398 55.949 56.287 0.100 0.000 0.989 39 K CB 0.482 33.027 32.500 0.076 0.000 0.935 39 K HN 0.774 9.024 8.250 -0.000 0.000 0.475 40 A N 2.938 125.794 122.820 0.060 0.000 2.483 40 A HA 0.307 4.648 4.320 0.036 0.000 0.238 40 A C 0.045 177.652 177.584 0.038 0.000 1.070 40 A CA 0.038 52.104 52.037 0.048 0.000 0.770 40 A CB 0.244 19.261 19.000 0.028 0.000 1.008 40 A HN 0.864 9.014 8.150 -0.000 0.000 0.497 41 A N 1.334 124.175 122.820 0.035 0.000 2.561 41 A HA 0.165 4.506 4.320 0.036 0.000 0.234 41 A C 0.905 178.500 177.584 0.018 0.000 1.055 41 A CA 0.730 52.781 52.037 0.024 0.000 0.756 41 A CB -0.210 18.801 19.000 0.019 0.000 0.986 41 A HN 0.959 9.109 8.150 -0.000 0.000 0.505 42 D N 0.218 120.628 120.400 0.016 0.000 2.351 42 D HA -0.130 4.531 4.640 0.036 0.000 0.216 42 D C 0.931 177.239 176.300 0.014 0.000 0.968 42 D CA 1.560 55.569 54.000 0.015 0.000 0.899 42 D CB 0.130 40.938 40.800 0.013 0.000 0.907 42 D HN 0.665 9.035 8.370 -0.000 0.000 0.514 43 D N -0.435 119.972 120.400 0.012 0.000 2.328 43 D HA -0.052 4.609 4.640 0.036 0.000 0.221 43 D C 0.147 176.455 176.300 0.013 0.000 1.072 43 D CA -0.183 53.824 54.000 0.011 0.000 0.850 43 D CB -0.159 40.646 40.800 0.009 0.000 0.922 43 D HN 0.143 8.513 8.370 -0.000 0.000 0.516 44 I N 2.461 123.040 120.570 0.015 0.000 2.352 44 I HA 0.142 4.333 4.170 0.036 0.000 0.290 44 I C 0.742 176.876 176.117 0.028 0.000 1.036 44 I CA -0.491 60.821 61.300 0.020 0.000 1.336 44 I CB 0.382 38.392 38.000 0.016 0.000 1.407 44 I HN 0.148 8.358 8.210 -0.000 0.000 0.497 45 Q N 5.403 125.224 119.800 0.035 0.000 2.205 45 Q HA 0.803 5.164 4.340 0.036 0.000 0.249 45 Q C -1.297 174.741 176.000 0.064 0.000 0.948 45 Q CA -0.785 55.043 55.803 0.042 0.000 0.895 45 Q CB 2.487 31.246 28.738 0.036 0.000 1.249 45 Q HN 0.367 8.637 8.270 -0.000 0.000 0.458 46 V N 0.519 120.474 119.914 0.069 0.000 2.925 46 V HA 0.465 4.606 4.120 0.036 0.000 0.311 46 V C -1.319 174.840 176.094 0.109 0.000 1.104 46 V CA -0.637 61.718 62.300 0.092 0.000 0.954 46 V CB 2.114 33.975 31.823 0.063 0.000 1.022 46 V HN 0.953 9.143 8.190 -0.000 0.000 0.427 47 E N 3.209 123.506 120.200 0.162 0.000 2.274 47 E HA 0.404 4.776 4.350 0.036 0.000 0.269 47 E C -1.170 175.526 176.600 0.160 0.000 0.891 47 E CA -0.608 55.894 56.400 0.171 0.000 0.784 47 E CB 1.856 31.692 29.700 0.227 0.000 1.225 47 E HN 0.709 9.069 8.360 -0.000 0.000 0.412 48 Q N 2.060 121.917 119.800 0.095 0.000 2.313 48 Q HA 0.332 4.694 4.340 0.036 0.000 0.266 48 Q C -0.116 175.917 176.000 0.055 0.000 0.989 48 Q CA -0.216 55.614 55.803 0.046 0.000 0.890 48 Q CB 1.428 30.180 28.738 0.024 0.000 1.200 48 Q HN 0.436 8.706 8.270 -0.000 0.000 0.396 49 V N -0.833 119.070 119.914 -0.019 0.000 3.130 49 V HA 0.658 4.799 4.120 0.036 0.000 0.310 49 V C -0.434 175.575 176.094 -0.141 0.000 1.158 49 V CA -1.033 61.245 62.300 -0.036 0.000 1.029 49 V CB 2.234 34.023 31.823 -0.056 0.000 1.057 49 V HN 0.650 8.840 8.190 -0.000 0.000 0.436 50 T N 1.381 115.851 114.554 -0.141 0.000 2.797 50 T HA 0.740 5.112 4.350 0.036 0.000 0.279 50 T C -0.720 173.749 174.700 -0.385 0.000 0.991 50 T CA -0.420 61.560 62.100 -0.200 0.000 0.979 50 T CB 1.503 70.316 68.868 -0.092 0.000 0.943 50 T HN 0.761 9.001 8.240 -0.000 0.000 0.444 51 V N 2.477 122.085 119.914 -0.510 0.000 2.488 51 V HA 0.605 4.747 4.120 0.036 0.000 0.293 51 V C 0.406 176.242 176.094 -0.430 0.000 1.027 51 V CA -0.672 61.124 62.300 -0.839 0.000 0.862 51 V CB 1.003 32.137 31.823 -1.147 0.000 1.008 51 V HN 1.235 9.425 8.190 -0.000 0.000 0.428 52 A N 3.859 126.514 122.820 -0.276 0.000 2.745 52 A HA 0.059 4.400 4.320 0.036 0.000 0.296 52 A C 1.719 179.243 177.584 -0.100 0.000 1.500 52 A CA 1.363 53.336 52.037 -0.107 0.000 0.766 52 A CB -1.507 17.447 19.000 -0.077 0.000 1.030 52 A HN 2.691 10.841 8.150 -0.000 0.000 0.489 53 G N -3.484 105.256 108.800 -0.101 0.000 2.155 53 G HA2 -0.155 3.827 3.960 0.036 0.000 0.257 53 G HA3 -0.155 3.827 3.960 0.036 0.000 0.257 53 G C 0.421 175.260 174.900 -0.101 0.000 0.983 53 G CA 0.694 45.745 45.100 -0.082 0.000 0.676 53 G HN 1.877 10.167 8.290 -0.000 0.000 0.528 54 C N 0.413 119.631 119.300 -0.136 0.000 2.493 54 C HA 0.895 5.377 4.460 0.036 0.000 0.326 54 C C 1.068 175.966 174.990 -0.154 0.000 1.200 54 C CA -0.439 58.502 59.018 -0.129 0.000 1.739 54 C CB 1.212 28.884 27.740 -0.114 0.000 2.300 54 C HN 1.197 9.427 8.230 -0.000 0.000 0.500 55 A N 1.711 124.458 122.820 -0.121 0.000 2.483 55 A HA 0.625 4.967 4.320 0.036 0.000 0.238 55 A C 0.223 177.713 177.584 -0.156 0.000 1.070 55 A CA 0.592 52.556 52.037 -0.123 0.000 0.770 55 A CB 0.001 18.949 19.000 -0.087 0.000 1.008 55 A HN 1.779 9.929 8.150 -0.000 0.000 0.497 56 A N 1.759 124.470 122.820 -0.181 0.000 2.599 56 A HA 0.723 5.064 4.320 0.036 0.000 0.290 56 A C -0.920 176.554 177.584 -0.182 0.000 1.101 56 A CA -0.667 51.239 52.037 -0.217 0.000 0.674 56 A CB 1.029 19.805 19.000 -0.372 0.000 1.277 56 A HN 0.795 8.945 8.150 -0.000 0.000 0.419 57 E N -0.173 119.928 120.200 -0.164 0.000 2.272 57 E HA 0.343 4.715 4.350 0.036 0.000 0.269 57 E C -1.653 174.886 176.600 -0.102 0.000 0.877 57 E CA -0.301 56.053 56.400 -0.077 0.000 0.755 57 E CB 1.831 31.531 29.700 -0.001 0.000 1.192 57 E HN 0.596 8.956 8.360 -0.000 0.000 0.422 58 W N 2.147 123.466 121.300 0.033 0.000 2.303 58 W HA 0.247 4.928 4.660 0.034 0.000 0.318 58 W C -0.361 176.180 176.519 0.037 0.000 1.362 58 W CA -0.431 56.947 57.345 0.055 0.000 1.234 58 W CB 0.729 30.242 29.460 0.088 0.000 1.248 58 W HN 0.151 8.331 8.180 -0.000 0.000 0.546 59 V N 5.832 125.938 119.914 0.319 0.000 2.378 59 V HA 0.432 4.573 4.120 0.036 0.000 0.288 59 V C -0.116 176.080 176.094 0.170 0.000 1.016 59 V CA -1.118 61.286 62.300 0.174 0.000 0.840 59 V CB 1.182 33.056 31.823 0.085 0.000 0.994 59 V HN 0.452 8.642 8.190 -0.000 0.000 0.431 60 R N 3.591 124.164 120.500 0.120 0.000 2.422 60 R HA 0.707 5.068 4.340 0.036 0.000 0.307 60 R C 0.031 176.359 176.300 0.047 0.000 1.004 60 R CA -0.371 55.778 56.100 0.081 0.000 0.882 60 R CB 2.021 32.354 30.300 0.055 0.000 1.164 60 R HN 0.788 9.058 8.270 -0.000 0.000 0.489 61 A N 4.681 127.524 122.820 0.038 0.000 2.346 61 A HA 0.384 4.726 4.320 0.036 0.000 0.255 61 A C -1.904 175.691 177.584 0.018 0.000 1.113 61 A CA -1.021 51.029 52.037 0.021 0.000 0.798 61 A CB -0.283 18.726 19.000 0.015 0.000 1.073 61 A HN 0.434 8.584 8.150 -0.000 0.000 0.502 62 P HA 0.290 4.710 4.420 -0.000 0.000 0.272 62 P C 0.587 177.893 177.300 0.010 0.000 1.223 62 P CA 1.233 64.338 63.100 0.008 0.000 0.784 62 P CB 0.766 32.470 31.700 0.007 0.000 0.923 63 G N 0.738 109.541 108.800 0.005 0.000 2.136 63 G HA2 -0.213 3.768 3.960 0.036 0.000 0.242 63 G HA3 -0.213 3.768 3.960 0.036 0.000 0.242 63 G C 0.060 174.963 174.900 0.006 0.000 0.989 63 G CA -0.328 44.776 45.100 0.007 0.000 0.682 63 G HN 0.675 8.965 8.290 -0.000 0.000 0.522 64 C N 1.362 120.661 119.300 -0.001 0.000 2.576 64 C HA 0.451 4.932 4.460 0.036 0.000 0.401 64 C C 1.087 176.052 174.990 -0.042 0.000 1.314 64 C CA -0.338 58.675 59.018 -0.009 0.000 1.855 64 C CB 0.585 28.323 27.740 -0.004 0.000 2.537 64 C HN 0.588 8.818 8.230 -0.000 0.000 0.578 65 Q N 2.038 121.801 119.800 -0.062 0.000 2.304 65 Q HA 0.393 4.755 4.340 0.036 0.000 0.260 65 Q C 0.215 176.134 176.000 -0.134 0.000 0.965 65 Q CA -0.200 55.539 55.803 -0.108 0.000 0.898 65 Q CB 0.973 29.623 28.738 -0.147 0.000 1.196 65 Q HN 0.910 9.180 8.270 -0.000 0.000 0.402 66 A N 2.432 125.170 122.820 -0.137 0.000 2.540 66 A HA 0.371 4.713 4.320 0.036 0.000 0.239 66 A C 1.143 178.601 177.584 -0.209 0.000 1.061 66 A CA 0.899 52.842 52.037 -0.156 0.000 0.758 66 A CB -0.272 18.637 19.000 -0.151 0.000 0.991 66 A HN 1.093 9.243 8.150 -0.000 0.000 0.502 67 G N 1.670 110.367 108.800 -0.170 0.000 2.258 67 G HA2 -0.200 3.781 3.960 0.036 0.000 0.233 67 G HA3 -0.200 3.781 3.960 0.036 0.000 0.233 67 G C 0.315 175.208 174.900 -0.011 0.000 1.006 67 G CA 0.453 45.437 45.100 -0.194 0.000 0.620 67 G HN 0.820 9.110 8.290 -0.000 0.000 0.511 68 K N 0.999 121.319 120.400 -0.133 0.000 2.143 68 K HA 0.742 5.083 4.320 0.036 0.000 0.272 68 K C -0.078 176.509 176.600 -0.023 0.000 1.001 68 K CA 0.279 56.408 56.287 -0.262 0.000 0.915 68 K CB 1.997 34.010 32.500 -0.812 0.000 1.047 68 K HN 0.802 9.052 8.250 -0.000 0.000 0.458 69 A N 3.000 125.830 122.820 0.016 0.000 2.549 69 A HA 0.627 4.968 4.320 0.036 0.000 0.297 69 A C -1.092 176.672 177.584 0.301 0.000 1.061 69 A CA -0.830 51.261 52.037 0.091 0.000 0.690 69 A CB 0.959 19.768 19.000 -0.319 0.000 1.287 69 A HN 0.669 8.819 8.150 -0.000 0.000 0.402 70 I N 1.755 122.511 120.570 0.309 0.000 2.362 70 I HA 0.312 4.503 4.170 0.036 0.000 0.289 70 I C -0.642 175.591 176.117 0.192 0.000 0.994 70 I CA -0.787 60.684 61.300 0.285 0.000 1.158 70 I CB 1.726 39.897 38.000 0.286 0.000 1.315 70 I HN 0.569 8.779 8.210 -0.000 0.000 0.451 71 L N 8.134 129.447 121.223 0.150 0.000 2.315 71 L HA 0.240 4.601 4.340 0.036 0.000 0.283 71 L C -1.122 175.789 176.870 0.068 0.000 1.089 71 L CA 0.217 55.105 54.840 0.081 0.000 0.833 71 L CB -0.126 41.980 42.059 0.078 0.000 1.170 71 L HN 0.418 8.648 8.230 -0.000 0.000 0.442 72 Y N 5.557 125.845 120.300 -0.019 0.000 2.331 72 Y HA 0.584 5.155 4.550 0.034 0.000 0.338 72 Y C -0.912 174.976 175.900 -0.020 0.000 0.992 72 Y CA -0.635 57.454 58.100 -0.019 0.000 1.121 72 Y CB 1.144 39.605 38.460 0.002 0.000 1.184 72 Y HN 0.530 8.810 8.280 -0.000 0.000 0.469 73 L N 7.392 128.210 121.223 -0.676 0.000 2.295 73 L HA 0.307 4.669 4.340 0.036 0.000 0.281 73 L C -0.550 176.051 176.870 -0.449 0.000 1.018 73 L CA -1.028 53.575 54.840 -0.395 0.000 0.841 73 L CB 0.614 42.410 42.059 -0.438 0.000 1.218 73 L HN 0.740 8.970 8.230 -0.000 0.000 0.424 74 H N 1.171 120.180 119.070 -0.102 0.000 2.690 74 H HA 0.551 5.128 4.556 0.036 0.000 0.365 74 H C 0.462 175.599 175.328 -0.318 0.000 1.142 74 H CA -0.211 55.621 56.048 -0.359 0.000 1.417 74 H CB 0.788 30.186 29.762 -0.608 0.000 1.446 74 H HN 0.543 8.823 8.280 -0.000 0.000 0.599 75 G N -0.445 108.224 108.800 -0.218 0.000 2.535 75 G HA2 0.431 4.412 3.960 0.036 0.000 0.282 75 G HA3 0.431 4.412 3.960 0.036 0.000 0.282 75 G C 0.554 175.559 174.900 0.174 0.000 1.350 75 G CA -0.812 44.287 45.100 -0.001 0.000 1.039 75 G HN 1.574 9.864 8.290 -0.000 0.000 0.509 76 G N -3.005 105.884 108.800 0.148 0.000 2.148 76 G HA2 0.376 4.358 3.960 0.036 0.000 0.120 76 G HA3 0.376 4.358 3.960 0.036 0.000 0.120 76 G C 1.123 176.089 174.900 0.110 0.000 1.034 76 G CA 0.724 45.914 45.100 0.150 0.000 0.710 76 G HN 2.399 10.689 8.290 -0.000 0.000 0.495 77 G N -0.577 108.280 108.800 0.096 0.000 2.168 77 G HA2 -0.200 3.781 3.960 0.036 0.000 0.257 77 G HA3 -0.200 3.781 3.960 0.036 0.000 0.257 77 G C 0.831 175.909 174.900 0.298 0.000 0.997 77 G CA 1.256 46.499 45.100 0.240 0.000 0.708 77 G HN 1.948 10.238 8.290 -0.000 0.000 0.520 78 Y N -3.940 116.409 120.300 0.081 0.000 4.916 78 Y HA -0.385 4.186 4.550 0.035 0.000 0.247 78 Y C 2.200 178.147 175.900 0.078 0.000 0.962 78 Y CA 2.188 60.249 58.100 -0.064 0.000 1.933 78 Y CB -1.798 36.288 38.460 -0.623 0.000 1.451 78 Y HN 1.180 9.460 8.280 -0.000 0.000 0.539 79 V N -3.047 117.001 119.914 0.223 0.000 3.612 79 V HA 0.379 4.521 4.120 0.036 0.000 0.268 79 V C 0.650 176.822 176.094 0.129 0.000 1.365 79 V CA 0.937 63.349 62.300 0.187 0.000 1.044 79 V CB 0.644 32.576 31.823 0.181 0.000 0.820 79 V HN 0.339 8.529 8.190 -0.000 0.000 0.444 80 M N -0.676 118.995 119.600 0.119 0.000 3.557 80 M HA 0.874 5.375 4.480 0.036 0.000 0.301 80 M C 0.173 176.540 176.300 0.111 0.000 1.451 80 M CA -0.087 55.264 55.300 0.085 0.000 0.816 80 M CB 1.250 33.891 32.600 0.068 0.000 1.848 80 M HN 0.906 9.196 8.290 -0.000 0.000 0.456 81 G N 0.866 109.687 108.800 0.035 0.000 2.733 81 G HA2 0.278 4.259 3.960 0.036 0.000 0.686 81 G HA3 0.278 4.259 3.960 0.036 0.000 0.686 81 G C -0.669 173.964 174.900 -0.445 0.000 1.373 81 G CA -0.067 44.977 45.100 -0.093 0.000 0.838 81 G HN 2.133 10.423 8.290 -0.000 0.000 0.588 82 S N -0.707 114.552 115.700 -0.734 0.000 2.703 82 S HA 0.657 5.148 4.470 0.036 0.000 0.273 82 S C 1.155 175.465 174.600 -0.482 0.000 1.178 82 S CA -0.126 57.713 58.200 -0.601 0.000 0.838 82 S CB 0.745 63.796 63.200 -0.249 0.000 1.178 82 S HN 1.201 9.511 8.310 -0.000 0.000 0.494 83 I N 1.339 121.752 120.570 -0.261 0.000 2.163 83 I HA -0.202 3.989 4.170 0.036 0.000 0.243 83 I C 2.708 178.779 176.117 -0.077 0.000 1.085 83 I CA 2.123 63.349 61.300 -0.123 0.000 1.347 83 I CB -0.712 37.236 38.000 -0.086 0.000 1.044 83 I HN 0.802 9.012 8.210 -0.000 0.000 0.408 84 N N 0.674 119.323 118.700 -0.084 0.000 2.061 84 N HA -0.231 4.530 4.740 0.036 0.000 0.193 84 N C 1.881 177.359 175.510 -0.053 0.000 1.030 84 N CA 2.556 55.571 53.050 -0.058 0.000 0.856 84 N CB -0.293 38.159 38.487 -0.059 0.000 1.023 84 N HN 0.483 8.863 8.380 -0.000 0.000 0.424 85 T N -3.691 110.829 114.554 -0.058 0.000 2.915 85 T HA -0.109 4.262 4.350 0.036 0.000 0.269 85 T C 1.232 175.875 174.700 -0.096 0.000 1.071 85 T CA 1.449 63.518 62.100 -0.052 0.000 1.132 85 T CB -0.449 68.425 68.868 0.009 0.000 0.878 85 T HN 0.327 8.567 8.240 -0.000 0.000 0.479 86 H N -0.568 118.433 119.070 -0.116 0.000 2.652 86 H HA 0.472 5.049 4.556 0.034 0.000 0.274 86 H C 2.159 177.422 175.328 -0.108 0.000 1.021 86 H CA -0.334 55.661 56.048 -0.087 0.000 1.187 86 H CB 0.102 29.852 29.762 -0.019 0.000 1.505 86 H HN 0.225 8.505 8.280 -0.000 0.000 0.530 87 R N 0.084 120.582 120.500 -0.003 0.000 2.103 87 R HA -0.201 4.160 4.340 0.036 0.000 0.242 87 R C 2.206 178.489 176.300 -0.028 0.000 1.142 87 R CA 1.766 57.854 56.100 -0.020 0.000 0.960 87 R CB -0.101 30.196 30.300 -0.006 0.000 0.858 87 R HN 0.251 8.521 8.270 -0.000 0.000 0.439 88 S N 0.118 115.820 115.700 0.003 0.000 2.343 88 S HA -0.201 4.291 4.470 0.036 0.000 0.219 88 S C 2.003 176.602 174.600 -0.002 0.000 1.033 88 S CA 1.556 59.791 58.200 0.057 0.000 1.014 88 S CB -0.221 63.080 63.200 0.168 0.000 0.915 88 S HN 0.454 8.764 8.310 -0.000 0.000 0.435 89 M N 0.839 120.423 119.600 -0.027 0.000 2.108 89 M HA -0.090 4.412 4.480 0.036 0.000 0.261 89 M C 1.901 178.031 176.300 -0.283 0.000 1.066 89 M CA 1.689 56.882 55.300 -0.178 0.000 1.107 89 M CB -0.257 32.249 32.600 -0.156 0.000 1.356 89 M HN 0.318 8.608 8.290 -0.000 0.000 0.406 90 V N 0.044 119.781 119.914 -0.296 0.000 2.515 90 V HA -0.150 3.992 4.120 0.036 0.000 0.250 90 V C 2.560 178.540 176.094 -0.190 0.000 1.058 90 V CA 1.849 63.928 62.300 -0.368 0.000 1.064 90 V CB -1.557 30.003 31.823 -0.438 0.000 0.675 90 V HN 0.711 8.901 8.190 -0.000 0.000 0.461 91 G N 0.141 108.862 108.800 -0.130 0.000 2.446 91 G HA2 -0.230 3.751 3.960 0.036 0.000 0.217 91 G HA3 -0.230 3.751 3.960 0.036 0.000 0.217 91 G C 1.421 176.256 174.900 -0.109 0.000 1.168 91 G CA 0.774 45.826 45.100 -0.079 0.000 0.771 91 G HN 0.503 8.793 8.290 -0.000 0.000 0.551 92 E N 0.518 120.597 120.200 -0.202 0.000 2.153 92 E HA -0.046 4.326 4.350 0.036 0.000 0.194 92 E C 2.531 179.037 176.600 -0.156 0.000 0.988 92 E CA 0.419 56.678 56.400 -0.236 0.000 0.811 92 E CB -0.229 29.178 29.700 -0.488 0.000 0.746 92 E HN 0.559 8.919 8.360 -0.000 0.000 0.466 93 I N 0.776 121.252 120.570 -0.156 0.000 2.315 93 I HA -0.215 3.977 4.170 0.036 0.000 0.248 93 I C 2.596 178.709 176.117 -0.008 0.000 1.117 93 I CA 0.878 62.129 61.300 -0.082 0.000 1.404 93 I CB -0.212 37.724 38.000 -0.107 0.000 1.071 93 I HN 0.027 8.237 8.210 -0.000 0.000 0.419 94 S N 0.832 116.528 115.700 -0.006 0.000 2.368 94 S HA -0.239 4.252 4.470 0.036 0.000 0.225 94 S C 2.282 176.911 174.600 0.048 0.000 1.030 94 S CA 1.446 59.677 58.200 0.052 0.000 0.999 94 S CB -0.245 62.985 63.200 0.050 0.000 0.844 94 S HN 0.314 8.624 8.310 -0.000 0.000 0.459 95 R N 0.397 120.903 120.500 0.010 0.000 2.080 95 R HA -0.084 4.277 4.340 0.036 0.000 0.236 95 R C 2.385 178.704 176.300 0.031 0.000 1.137 95 R CA 1.605 57.712 56.100 0.012 0.000 0.943 95 R CB -0.724 29.566 30.300 -0.017 0.000 0.846 95 R HN 0.486 8.756 8.270 -0.000 0.000 0.431 96 A N -0.092 122.743 122.820 0.025 0.000 2.014 96 A HA -0.098 4.243 4.320 0.036 0.000 0.218 96 A C 1.990 179.625 177.584 0.084 0.000 1.163 96 A CA 1.626 53.690 52.037 0.044 0.000 0.652 96 A CB -0.235 18.783 19.000 0.030 0.000 0.808 96 A HN 0.574 8.724 8.150 -0.000 0.000 0.449 97 S N -1.912 113.855 115.700 0.112 0.000 2.535 97 S HA 0.133 4.625 4.470 0.036 0.000 0.214 97 S C 0.589 175.344 174.600 0.259 0.000 0.980 97 S CA 0.574 58.891 58.200 0.195 0.000 0.907 97 S CB -0.232 63.102 63.200 0.225 0.000 0.790 97 S HN 0.559 8.869 8.310 -0.000 0.000 0.510 98 Q N 0.147 120.042 119.800 0.159 0.000 2.475 98 Q HA -0.171 4.190 4.340 0.036 0.000 0.280 98 Q C -0.093 175.972 176.000 0.108 0.000 1.234 98 Q CA 0.628 56.498 55.803 0.112 0.000 0.873 98 Q CB -2.303 26.490 28.738 0.092 0.000 1.256 98 Q HN 0.832 9.102 8.270 -0.000 0.000 0.475 99 A N -0.505 122.409 122.820 0.156 0.000 2.449 99 A HA 0.862 5.203 4.320 0.036 0.000 0.302 99 A C -0.349 177.325 177.584 0.150 0.000 1.048 99 A CA -0.057 52.063 52.037 0.138 0.000 0.708 99 A CB 1.496 20.670 19.000 0.291 0.000 1.274 99 A HN 0.520 8.670 8.150 -0.000 0.000 0.410 100 A N 0.717 123.612 122.820 0.126 0.000 2.407 100 A HA 0.635 4.976 4.320 0.036 0.000 0.248 100 A C 0.563 178.345 177.584 0.329 0.000 1.082 100 A CA 0.445 52.601 52.037 0.198 0.000 0.785 100 A CB 0.078 19.155 19.000 0.128 0.000 1.020 100 A HN 2.296 10.446 8.150 -0.000 0.000 0.489 101 A N 2.118 125.136 122.820 0.329 0.000 2.324 101 A HA 0.617 4.958 4.320 0.036 0.000 0.330 101 A C -0.364 177.356 177.584 0.227 0.000 1.165 101 A CA -0.543 51.657 52.037 0.272 0.000 0.813 101 A CB 0.761 19.850 19.000 0.148 0.000 1.197 101 A HN 0.996 9.146 8.150 -0.000 0.000 0.484 102 L N 3.694 124.911 121.223 -0.010 0.000 2.255 102 L HA 0.396 4.757 4.340 0.036 0.000 0.289 102 L C -1.277 175.507 176.870 -0.144 0.000 1.046 102 L CA -0.588 54.016 54.840 -0.393 0.000 0.816 102 L CB 0.852 42.490 42.059 -0.702 0.000 1.197 102 L HN 0.728 8.958 8.230 -0.000 0.000 0.427 103 L N 6.797 127.952 121.223 -0.113 0.000 2.272 103 L HA 0.370 4.731 4.340 0.036 0.000 0.284 103 L C -0.771 176.083 176.870 -0.027 0.000 1.045 103 L CA -0.230 54.621 54.840 0.018 0.000 0.842 103 L CB 1.217 43.293 42.059 0.029 0.000 1.224 103 L HN 0.565 8.795 8.230 -0.000 0.000 0.430 104 L N 4.360 125.600 121.223 0.027 0.000 2.305 104 L HA 0.372 4.733 4.340 0.036 0.000 0.281 104 L C -0.025 176.889 176.870 0.074 0.000 1.085 104 L CA 0.163 55.003 54.840 0.000 0.000 0.813 104 L CB 1.040 43.113 42.059 0.023 0.000 1.157 104 L HN 0.628 8.858 8.230 -0.000 0.000 0.436 105 D N 3.675 124.058 120.400 -0.028 0.000 2.619 105 D HA 0.093 4.755 4.640 0.036 0.000 0.224 105 D C -0.612 175.638 176.300 -0.083 0.000 1.133 105 D CA -0.179 53.775 54.000 -0.077 0.000 1.017 105 D CB -0.490 40.250 40.800 -0.100 0.000 1.077 105 D HN 0.351 8.721 8.370 -0.000 0.000 0.503 106 Y N -0.378 119.926 120.300 0.007 0.000 2.426 106 Y HA 0.328 4.900 4.550 0.036 0.000 0.344 106 Y C 0.743 176.635 175.900 -0.013 0.000 1.256 106 Y CA -1.125 56.948 58.100 -0.045 0.000 1.451 106 Y CB 0.378 38.791 38.460 -0.078 0.000 1.342 106 Y HN -0.096 8.184 8.280 -0.000 0.000 0.600 107 R N 2.257 122.837 120.500 0.135 0.000 2.538 107 R HA 0.200 4.562 4.340 0.036 0.000 0.282 107 R C -0.838 175.625 176.300 0.272 0.000 1.009 107 R CA 0.126 56.266 56.100 0.066 0.000 1.063 107 R CB -0.041 30.161 30.300 -0.163 0.000 0.945 107 R HN 0.668 8.938 8.270 -0.000 0.000 0.414 108 L N 1.985 123.364 121.223 0.260 0.000 2.330 108 L HA 0.550 4.912 4.340 0.036 0.000 0.271 108 L C 0.289 177.347 176.870 0.313 0.000 1.013 108 L CA -0.939 54.067 54.840 0.277 0.000 0.816 108 L CB 1.845 43.996 42.059 0.153 0.000 1.287 108 L HN 0.664 8.894 8.230 -0.000 0.000 0.435 109 A N 2.753 125.766 122.820 0.320 0.000 2.286 109 A HA 0.553 4.895 4.320 0.036 0.000 0.286 109 A C -1.877 175.818 177.584 0.185 0.000 1.097 109 A CA -1.217 50.984 52.037 0.274 0.000 0.821 109 A CB 0.223 19.454 19.000 0.385 0.000 1.076 109 A HN 0.611 8.761 8.150 -0.000 0.000 0.490 110 P HA 0.021 4.441 4.420 -0.000 0.000 0.240 110 P C 0.348 177.658 177.300 0.017 0.000 1.190 110 P CA 0.622 63.776 63.100 0.091 0.000 0.781 110 P CB 0.361 32.100 31.700 0.065 0.000 0.931 111 E N -0.170 120.005 120.200 -0.042 0.000 2.118 111 E HA -0.138 4.234 4.350 0.036 0.000 0.195 111 E C 0.609 176.940 176.600 -0.449 0.000 0.992 111 E CA 1.211 57.456 56.400 -0.259 0.000 0.804 111 E CB -0.558 28.934 29.700 -0.347 0.000 0.741 111 E HN 0.529 8.889 8.360 -0.000 0.000 0.458 112 H N -0.318 118.801 119.070 0.081 0.000 2.675 112 H HA 0.289 4.866 4.556 0.036 0.000 0.258 112 H C -2.379 173.013 175.328 0.107 0.000 1.271 112 H CA -2.227 53.866 56.048 0.075 0.000 1.462 112 H CB 0.765 30.574 29.762 0.077 0.000 1.467 112 H HN 0.061 8.341 8.280 -0.000 0.000 0.501 113 P HA 0.001 4.421 4.420 -0.000 0.000 0.275 113 P C 0.347 177.638 177.300 -0.015 0.000 1.266 113 P CA -0.654 62.499 63.100 0.089 0.000 0.793 113 P CB 0.677 32.384 31.700 0.012 0.000 1.074 114 F N 2.254 121.880 119.950 -0.540 0.000 2.623 114 F HA 0.028 4.576 4.527 0.035 0.000 0.381 114 F C -1.504 174.085 175.800 -0.352 0.000 1.081 114 F CA -0.837 56.714 58.000 -0.749 0.000 1.293 114 F CB -0.173 37.980 39.000 -1.411 0.000 1.006 114 F HN 0.253 8.553 8.300 -0.000 0.000 0.578 115 P HA 0.229 4.649 4.420 -0.000 0.000 0.248 115 P C 0.337 177.418 177.300 -0.364 0.000 1.708 115 P CA 0.479 62.909 63.100 -1.116 0.000 1.062 115 P CB 0.225 31.159 31.700 -1.277 0.000 1.562 116 A N 1.378 124.108 122.820 -0.151 0.000 1.908 116 A HA -0.111 4.230 4.320 0.036 0.000 0.218 116 A C 2.317 179.916 177.584 0.026 0.000 1.181 116 A CA 2.093 54.115 52.037 -0.025 0.000 0.627 116 A CB -1.298 17.747 19.000 0.074 0.000 0.818 116 A HN 0.300 8.450 8.150 -0.000 0.000 0.445 117 A N -0.609 122.294 122.820 0.137 0.000 1.933 117 A HA 0.015 4.357 4.320 0.036 0.000 0.218 117 A C 2.227 179.754 177.584 -0.094 0.000 1.175 117 A CA 1.843 53.916 52.037 0.061 0.000 0.628 117 A CB -0.894 18.170 19.000 0.107 0.000 0.814 117 A HN 0.452 8.602 8.150 -0.000 0.000 0.444 118 V N -0.009 119.874 119.914 -0.052 0.000 2.307 118 V HA -0.267 3.875 4.120 0.036 0.000 0.245 118 V C 2.324 178.335 176.094 -0.138 0.000 1.045 118 V CA 2.170 64.402 62.300 -0.113 0.000 1.024 118 V CB -1.065 30.696 31.823 -0.102 0.000 0.651 118 V HN 0.620 8.810 8.190 -0.000 0.000 0.449 119 E N 0.348 120.471 120.200 -0.127 0.000 2.070 119 E HA -0.278 4.093 4.350 0.036 0.000 0.197 119 E C 2.016 178.576 176.600 -0.066 0.000 1.004 119 E CA 1.762 58.105 56.400 -0.096 0.000 0.805 119 E CB -0.261 29.385 29.700 -0.089 0.000 0.744 119 E HN 0.610 8.970 8.360 -0.000 0.000 0.451 120 D N -0.282 120.084 120.400 -0.057 0.000 2.117 120 D HA -0.117 4.545 4.640 0.036 0.000 0.197 120 D C 1.984 178.255 176.300 -0.049 0.000 0.987 120 D CA 1.347 55.325 54.000 -0.037 0.000 0.829 120 D CB -0.702 40.106 40.800 0.013 0.000 0.961 120 D HN 0.288 8.658 8.370 -0.000 0.000 0.460 121 G N 0.689 109.431 108.800 -0.097 0.000 2.421 121 G HA2 -0.205 3.777 3.960 0.036 0.000 0.216 121 G HA3 -0.205 3.777 3.960 0.036 0.000 0.216 121 G C 1.878 176.762 174.900 -0.028 0.000 1.171 121 G CA 0.820 45.858 45.100 -0.102 0.000 0.775 121 G HN 0.239 8.529 8.290 -0.000 0.000 0.543 122 V N 1.537 121.427 119.914 -0.040 0.000 2.295 122 V HA -0.117 4.025 4.120 0.036 0.000 0.246 122 V C 3.328 179.475 176.094 0.088 0.000 1.049 122 V CA 2.034 64.348 62.300 0.024 0.000 1.024 122 V CB -0.846 30.953 31.823 -0.039 0.000 0.648 122 V HN 0.470 8.660 8.190 -0.000 0.000 0.447 123 A N -0.154 122.693 122.820 0.044 0.000 1.972 123 A HA -0.070 4.272 4.320 0.036 0.000 0.219 123 A C 2.386 180.039 177.584 0.116 0.000 1.169 123 A CA 1.939 54.017 52.037 0.068 0.000 0.635 123 A CB -0.644 18.372 19.000 0.027 0.000 0.810 123 A HN 0.565 8.715 8.150 -0.000 0.000 0.446 124 A N -1.486 121.383 122.820 0.081 0.000 1.930 124 A HA -0.046 4.295 4.320 0.036 0.000 0.217 124 A C 2.116 179.845 177.584 0.242 0.000 1.175 124 A CA 1.573 53.668 52.037 0.097 0.000 0.627 124 A CB -0.740 18.253 19.000 -0.011 0.000 0.815 124 A HN 0.672 8.822 8.150 -0.000 0.000 0.443 125 Y N 0.285 120.632 120.300 0.078 0.000 2.089 125 Y HA -0.192 4.382 4.550 0.038 0.000 0.282 125 Y C 2.496 178.474 175.900 0.129 0.000 1.139 125 Y CA 2.069 60.222 58.100 0.089 0.000 1.123 125 Y CB -0.573 37.907 38.460 0.033 0.000 0.980 125 Y HN 0.261 8.541 8.280 -0.000 0.000 0.493 126 R N -0.868 119.670 120.500 0.065 0.000 2.134 126 R HA -0.314 4.047 4.340 0.036 0.000 0.248 126 R C 2.205 178.539 176.300 0.057 0.000 1.143 126 R CA 2.369 58.470 56.100 0.001 0.000 0.957 126 R CB -1.145 29.200 30.300 0.074 0.000 0.867 126 R HN 0.626 8.896 8.270 -0.000 0.000 0.441 127 W N 1.041 122.325 121.300 -0.026 0.000 2.317 127 W HA -0.253 4.428 4.660 0.034 0.000 0.318 127 W C 1.813 178.360 176.519 0.047 0.000 1.227 127 W CA 1.850 59.201 57.345 0.010 0.000 1.269 127 W CB -0.537 28.929 29.460 0.011 0.000 1.155 127 W HN 0.085 8.265 8.180 -0.000 0.000 0.484 128 L N 0.010 121.387 121.223 0.257 0.000 2.012 128 L HA -0.305 4.057 4.340 0.036 0.000 0.210 128 L C 2.604 179.511 176.870 0.061 0.000 1.073 128 L CA 1.629 56.554 54.840 0.142 0.000 0.748 128 L CB -1.183 40.947 42.059 0.118 0.000 0.891 128 L HN 0.084 8.314 8.230 -0.000 0.000 0.431 129 L N -0.552 120.606 121.223 -0.108 0.000 1.989 129 L HA -0.276 4.085 4.340 0.036 0.000 0.211 129 L C 2.266 179.075 176.870 -0.102 0.000 1.071 129 L CA 1.384 56.149 54.840 -0.125 0.000 0.749 129 L CB -0.786 41.132 42.059 -0.234 0.000 0.890 129 L HN 0.273 8.503 8.230 -0.000 0.000 0.431 130 D N -0.538 119.783 120.400 -0.131 0.000 2.190 130 D HA -0.189 4.472 4.640 0.036 0.000 0.200 130 D C 2.325 178.487 176.300 -0.229 0.000 0.992 130 D CA 0.939 54.844 54.000 -0.159 0.000 0.854 130 D CB -0.153 40.560 40.800 -0.145 0.000 0.936 130 D HN 0.297 8.667 8.370 -0.000 0.000 0.462 131 Q N -0.879 118.729 119.800 -0.320 0.000 2.369 131 Q HA 0.091 4.452 4.340 0.036 0.000 0.206 131 Q C 1.437 177.281 176.000 -0.261 0.000 0.963 131 Q CA 1.066 56.666 55.803 -0.337 0.000 0.894 131 Q CB 0.501 28.990 28.738 -0.415 0.000 0.965 131 Q HN 0.410 8.680 8.270 -0.000 0.000 0.475 132 G N 0.099 108.792 108.800 -0.177 0.000 2.154 132 G HA2 -0.212 3.769 3.960 0.036 0.000 0.186 132 G HA3 -0.212 3.769 3.960 0.036 0.000 0.186 132 G C -0.270 174.510 174.900 -0.201 0.000 1.000 132 G CA -0.544 44.438 45.100 -0.197 0.000 0.664 132 G HN 0.218 8.508 8.290 -0.000 0.000 0.513 133 F N 2.133 122.040 119.950 -0.072 0.000 2.495 133 F HA 0.425 4.974 4.527 0.036 0.000 0.365 133 F C 1.212 177.001 175.800 -0.019 0.000 1.090 133 F CA -0.185 57.812 58.000 -0.006 0.000 1.235 133 F CB 0.746 39.773 39.000 0.046 0.000 1.119 133 F HN -0.204 8.096 8.300 -0.000 0.000 0.562 134 K N 5.985 126.470 120.400 0.143 0.000 2.326 134 K HA 0.107 4.449 4.320 0.036 0.000 0.275 134 K C -1.559 175.048 176.600 0.012 0.000 1.018 134 K CA -1.836 54.432 56.287 -0.032 0.000 0.962 134 K CB 0.421 32.734 32.500 -0.311 0.000 0.953 134 K HN 0.229 8.479 8.250 -0.000 0.000 0.475 135 P HA -0.231 4.189 4.420 -0.000 0.000 0.217 135 P C 0.914 178.299 177.300 0.143 0.000 1.148 135 P CA 1.449 64.622 63.100 0.120 0.000 0.828 135 P CB 0.262 32.028 31.700 0.111 0.000 0.783 136 Q N -0.438 119.364 119.800 0.003 0.000 2.472 136 Q HA -0.140 4.222 4.340 0.036 0.000 0.208 136 Q C 0.821 176.923 176.000 0.170 0.000 0.958 136 Q CA 1.238 57.070 55.803 0.048 0.000 0.932 136 Q CB -1.163 27.533 28.738 -0.069 0.000 1.007 136 Q HN 0.515 8.785 8.270 -0.000 0.000 0.508 137 H N -0.276 118.882 119.070 0.148 0.000 2.594 137 H HA 0.414 4.991 4.556 0.035 0.000 0.279 137 H C -0.074 175.313 175.328 0.098 0.000 1.042 137 H CA -0.509 55.474 56.048 -0.108 0.000 1.177 137 H CB 0.697 30.387 29.762 -0.121 0.000 1.524 137 H HN 0.027 8.307 8.280 -0.000 0.000 0.537 138 L N 0.170 121.740 121.223 0.579 0.000 2.330 138 L HA 0.500 4.861 4.340 0.036 0.000 0.271 138 L C -0.055 177.210 176.870 0.658 0.000 1.013 138 L CA -0.726 54.464 54.840 0.583 0.000 0.816 138 L CB 2.136 44.454 42.059 0.432 0.000 1.287 138 L HN -0.016 8.214 8.230 -0.000 0.000 0.435 139 S N 1.453 117.448 115.700 0.490 0.000 2.564 139 S HA 0.739 5.230 4.470 0.036 0.000 0.274 139 S C -1.188 173.495 174.600 0.138 0.000 1.124 139 S CA -0.546 57.778 58.200 0.207 0.000 0.869 139 S CB 1.439 64.642 63.200 0.005 0.000 1.105 139 S HN 0.419 8.729 8.310 -0.000 0.000 0.472 140 I N 2.387 122.970 120.570 0.021 0.000 2.465 140 I HA 0.599 4.790 4.170 0.036 0.000 0.291 140 I C -0.265 175.799 176.117 -0.089 0.000 1.014 140 I CA -0.586 60.688 61.300 -0.044 0.000 1.093 140 I CB 1.990 39.907 38.000 -0.139 0.000 1.267 140 I HN 0.522 8.732 8.210 -0.000 0.000 0.431 141 S N 3.213 118.832 115.700 -0.135 0.000 2.579 141 S HA 0.960 5.452 4.470 0.036 0.000 0.272 141 S C -0.825 173.392 174.600 -0.638 0.000 1.141 141 S CA -0.382 57.691 58.200 -0.211 0.000 0.843 141 S CB 2.291 65.501 63.200 0.017 0.000 1.122 141 S HN 1.012 9.322 8.310 -0.000 0.000 0.468 142 G N 1.674 110.089 108.800 -0.642 0.000 2.579 142 G HA2 0.490 4.472 3.960 0.036 0.000 0.292 142 G HA3 0.490 4.472 3.960 0.036 0.000 0.292 142 G C -2.449 172.208 174.900 -0.405 0.000 1.484 142 G CA -0.624 43.973 45.100 -0.839 0.000 0.813 142 G HN 0.772 9.062 8.290 -0.000 0.000 0.515 143 D N -0.284 119.958 120.400 -0.264 0.000 2.498 143 D HA 0.686 5.347 4.640 0.036 0.000 0.247 143 D C 0.571 176.814 176.300 -0.095 0.000 1.070 143 D CA 0.203 54.124 54.000 -0.132 0.000 0.842 143 D CB 1.948 42.746 40.800 -0.003 0.000 1.361 143 D HN 0.921 9.291 8.370 -0.000 0.000 0.484 144 S N 1.385 117.048 115.700 -0.062 0.000 4.069 144 S HA -0.367 4.125 4.470 0.036 0.000 0.626 144 S C 1.762 176.436 174.600 0.122 0.000 2.000 144 S CA 2.156 60.426 58.200 0.117 0.000 4.174 144 S CB -1.654 61.656 63.200 0.184 0.000 0.210 144 S HN 1.313 9.623 8.310 -0.000 0.000 0.602 145 A N 0.960 123.842 122.820 0.104 0.000 1.927 145 A HA -0.031 4.311 4.320 0.036 0.000 0.220 145 A C 2.614 179.921 177.584 -0.463 0.000 1.185 145 A CA 3.096 54.983 52.037 -0.250 0.000 0.639 145 A CB -1.782 16.823 19.000 -0.660 0.000 0.820 145 A HN 1.846 9.996 8.150 -0.000 0.000 0.451 146 G N -1.134 107.448 108.800 -0.363 0.000 2.432 146 G HA2 0.035 4.017 3.960 0.036 0.000 0.219 146 G HA3 0.035 4.017 3.960 0.036 0.000 0.219 146 G C 1.444 176.155 174.900 -0.315 0.000 1.135 146 G CA 1.300 46.165 45.100 -0.392 0.000 0.767 146 G HN 0.774 9.064 8.290 -0.000 0.000 0.550 147 G N 0.646 109.321 108.800 -0.209 0.000 2.403 147 G HA2 0.129 4.110 3.960 0.036 0.000 0.216 147 G HA3 0.129 4.110 3.960 0.036 0.000 0.216 147 G C 1.747 176.584 174.900 -0.106 0.000 1.154 147 G CA 1.216 46.218 45.100 -0.163 0.000 0.784 147 G HN 0.527 8.817 8.290 -0.000 0.000 0.538 148 G N 0.857 109.629 108.800 -0.048 0.000 2.418 148 G HA2 -0.185 3.796 3.960 0.036 0.000 0.217 148 G HA3 -0.185 3.796 3.960 0.036 0.000 0.217 148 G C 1.729 176.614 174.900 -0.025 0.000 1.158 148 G CA 0.665 45.758 45.100 -0.011 0.000 0.771 148 G HN 0.371 8.661 8.290 -0.000 0.000 0.545 149 L N 0.470 121.653 121.223 -0.067 0.000 2.042 149 L HA -0.128 4.234 4.340 0.036 0.000 0.210 149 L C 3.014 179.784 176.870 -0.168 0.000 1.076 149 L CA 1.024 55.800 54.840 -0.105 0.000 0.749 149 L CB -0.311 41.583 42.059 -0.276 0.000 0.893 149 L HN 0.140 8.370 8.230 -0.000 0.000 0.432 150 V N -0.041 119.751 119.914 -0.204 0.000 2.278 150 V HA -0.371 3.770 4.120 0.036 0.000 0.251 150 V C 2.459 178.463 176.094 -0.151 0.000 1.062 150 V CA 1.708 63.888 62.300 -0.200 0.000 1.038 150 V CB -0.442 31.260 31.823 -0.201 0.000 0.646 150 V HN 0.366 8.556 8.190 -0.000 0.000 0.447 151 L N -0.682 120.479 121.223 -0.102 0.000 2.068 151 L HA 0.021 4.382 4.340 0.036 0.000 0.204 151 L C 2.710 179.554 176.870 -0.044 0.000 1.076 151 L CA 2.204 57.006 54.840 -0.063 0.000 0.753 151 L CB -1.817 40.223 42.059 -0.032 0.000 0.910 151 L HN 0.370 8.600 8.230 -0.000 0.000 0.439 152 A N -0.147 122.662 122.820 -0.018 0.000 1.873 152 A HA -0.194 4.148 4.320 0.036 0.000 0.218 152 A C 2.429 179.923 177.584 -0.151 0.000 1.193 152 A CA 2.126 54.164 52.037 0.001 0.000 0.629 152 A CB -0.934 18.111 19.000 0.075 0.000 0.826 152 A HN 0.212 8.362 8.150 -0.000 0.000 0.447 153 V N 0.058 119.870 119.914 -0.170 0.000 2.324 153 V HA -0.301 3.841 4.120 0.036 0.000 0.250 153 V C 2.589 178.547 176.094 -0.226 0.000 1.060 153 V CA 2.110 64.279 62.300 -0.218 0.000 1.042 153 V CB -0.800 30.895 31.823 -0.213 0.000 0.650 153 V HN 0.568 8.758 8.190 -0.000 0.000 0.450 154 L N -0.758 120.347 121.223 -0.197 0.000 1.994 154 L HA -0.162 4.199 4.340 0.036 0.000 0.208 154 L C 2.495 179.298 176.870 -0.111 0.000 1.071 154 L CA 1.355 56.088 54.840 -0.177 0.000 0.745 154 L CB -0.736 41.243 42.059 -0.134 0.000 0.892 154 L HN 0.175 8.405 8.230 -0.000 0.000 0.431 155 V N -0.763 119.109 119.914 -0.069 0.000 2.252 155 V HA -0.368 3.774 4.120 0.036 0.000 0.249 155 V C 2.729 178.799 176.094 -0.041 0.000 1.056 155 V CA 2.238 64.548 62.300 0.017 0.000 1.022 155 V CB -0.668 31.244 31.823 0.147 0.000 0.641 155 V HN 0.515 8.705 8.190 -0.000 0.000 0.445 156 S N -0.360 115.123 115.700 -0.360 0.000 2.359 156 S HA -0.220 4.272 4.470 0.036 0.000 0.224 156 S C 2.153 176.643 174.600 -0.184 0.000 1.035 156 S CA 1.803 59.669 58.200 -0.557 0.000 1.018 156 S CB -0.464 62.128 63.200 -1.013 0.000 0.876 156 S HN 0.635 8.945 8.310 -0.000 0.000 0.448 157 A N 2.267 125.005 122.820 -0.137 0.000 1.892 157 A HA -0.185 4.157 4.320 0.036 0.000 0.218 157 A C 2.280 179.876 177.584 0.020 0.000 1.188 157 A CA 1.910 53.935 52.037 -0.020 0.000 0.631 157 A CB -0.968 18.030 19.000 -0.005 0.000 0.822 157 A HN 0.637 8.787 8.150 -0.000 0.000 0.447 158 R N -0.418 120.086 120.500 0.006 0.000 2.083 158 R HA -0.194 4.168 4.340 0.036 0.000 0.237 158 R C 1.374 177.706 176.300 0.053 0.000 1.137 158 R CA 2.026 58.147 56.100 0.035 0.000 0.951 158 R CB -0.529 29.790 30.300 0.030 0.000 0.851 158 R HN 0.481 8.751 8.270 -0.000 0.000 0.434 159 D N 0.466 120.908 120.400 0.069 0.000 2.265 159 D HA -0.150 4.512 4.640 0.036 0.000 0.208 159 D C 1.239 177.584 176.300 0.075 0.000 0.977 159 D CA 1.149 55.206 54.000 0.095 0.000 0.871 159 D CB -0.048 40.857 40.800 0.175 0.000 0.925 159 D HN 0.465 8.835 8.370 -0.000 0.000 0.485 160 Q N -0.847 118.988 119.800 0.058 0.000 2.280 160 Q HA 0.295 4.657 4.340 0.036 0.000 0.201 160 Q C 0.909 176.938 176.000 0.049 0.000 0.890 160 Q CA 0.266 56.100 55.803 0.051 0.000 0.947 160 Q CB 1.003 29.766 28.738 0.041 0.000 1.081 160 Q HN 0.244 8.514 8.270 -0.000 0.000 0.502 161 G N 0.776 109.607 108.800 0.052 0.000 2.143 161 G HA2 -0.225 3.756 3.960 0.036 0.000 0.249 161 G HA3 -0.225 3.756 3.960 0.036 0.000 0.249 161 G C -0.104 174.832 174.900 0.060 0.000 0.981 161 G CA -0.339 44.791 45.100 0.049 0.000 0.665 161 G HN 0.177 8.467 8.290 -0.000 0.000 0.528 162 L N 1.682 122.955 121.223 0.083 0.000 2.417 162 L HA 0.481 4.843 4.340 0.036 0.000 0.268 162 L C -1.064 175.892 176.870 0.143 0.000 1.158 162 L CA -2.170 52.744 54.840 0.123 0.000 0.819 162 L CB 0.166 42.345 42.059 0.200 0.000 1.112 162 L HN 0.055 8.285 8.230 -0.000 0.000 0.458 163 P HA 0.201 4.621 4.420 -0.000 0.000 0.277 163 P C -0.601 176.837 177.300 0.230 0.000 1.240 163 P CA -0.644 62.541 63.100 0.142 0.000 0.798 163 P CB 0.728 32.487 31.700 0.100 0.000 0.979 164 M N 2.772 122.460 119.600 0.147 0.000 2.235 164 M HA 0.284 4.785 4.480 0.036 0.000 0.351 164 M C -1.747 174.653 176.300 0.166 0.000 1.178 164 M CA -2.058 53.307 55.300 0.108 0.000 1.143 164 M CB 0.084 32.713 32.600 0.048 0.000 1.530 164 M HN 0.286 8.576 8.290 -0.000 0.000 0.461 165 P HA 0.229 4.649 4.420 -0.000 0.000 0.297 165 P C 0.009 177.396 177.300 0.146 0.000 1.303 165 P CA -0.164 63.071 63.100 0.225 0.000 0.753 165 P CB 0.360 32.194 31.700 0.223 0.000 1.281 166 A N -0.518 122.412 122.820 0.183 0.000 2.016 166 A HA 0.121 4.462 4.320 0.036 0.000 0.217 166 A C 1.028 178.599 177.584 -0.022 0.000 1.162 166 A CA 1.493 53.591 52.037 0.101 0.000 0.662 166 A CB -0.837 18.283 19.000 0.200 0.000 0.812 166 A HN 0.727 8.877 8.150 -0.000 0.000 0.450 167 S N -3.215 112.465 115.700 -0.033 0.000 2.588 167 S HA 0.736 5.227 4.470 0.036 0.000 0.269 167 S C -0.834 173.772 174.600 0.010 0.000 1.157 167 S CA -0.146 58.044 58.200 -0.016 0.000 0.824 167 S CB 1.215 64.349 63.200 -0.110 0.000 1.126 167 S HN 1.507 9.817 8.310 -0.000 0.000 0.464 168 A N 0.640 123.490 122.820 0.050 0.000 2.455 168 A HA 0.817 5.159 4.320 0.036 0.000 0.300 168 A C -1.474 176.073 177.584 -0.061 0.000 1.040 168 A CA -0.661 51.358 52.037 -0.030 0.000 0.697 168 A CB 0.863 19.825 19.000 -0.064 0.000 1.265 168 A HN 0.818 8.968 8.150 -0.000 0.000 0.407 169 I N 3.044 123.543 120.570 -0.118 0.000 2.537 169 I HA 0.332 4.523 4.170 0.036 0.000 0.276 169 I C -2.614 173.374 176.117 -0.214 0.000 1.063 169 I CA -1.653 59.524 61.300 -0.204 0.000 1.144 169 I CB 1.728 39.597 38.000 -0.218 0.000 1.252 169 I HN 0.251 8.461 8.210 -0.000 0.000 0.480 170 P HA 0.317 4.737 4.420 -0.000 0.000 0.276 170 P C -0.402 176.787 177.300 -0.185 0.000 1.243 170 P CA -0.035 62.962 63.100 -0.172 0.000 0.768 170 P CB 0.657 32.293 31.700 -0.107 0.000 0.856 171 I N 2.008 122.443 120.570 -0.225 0.000 2.354 171 I HA 0.122 4.314 4.170 0.036 0.000 0.292 171 I C 0.401 176.417 176.117 -0.168 0.000 0.989 171 I CA -0.310 60.820 61.300 -0.284 0.000 1.188 171 I CB 0.789 38.461 38.000 -0.546 0.000 1.342 171 I HN 0.298 8.508 8.210 -0.000 0.000 0.457 172 S N 5.266 120.948 115.700 -0.030 0.000 3.477 172 S HA -0.108 4.383 4.470 0.036 0.000 0.371 172 S C -2.198 172.472 174.600 0.118 0.000 0.965 172 S CA -0.299 57.950 58.200 0.081 0.000 1.239 172 S CB -1.648 61.550 63.200 -0.003 0.000 0.918 172 S HN 0.487 8.797 8.310 -0.000 0.000 0.498 173 P HA 0.063 4.483 4.420 -0.000 0.000 0.268 173 P C -0.219 177.237 177.300 0.259 0.000 1.204 173 P CA 0.009 63.177 63.100 0.112 0.000 0.768 173 P CB 0.402 32.132 31.700 0.050 0.000 0.842 174 W N 4.895 126.232 121.300 0.062 0.000 2.316 174 W HA 0.516 5.195 4.660 0.031 0.000 0.339 174 W C -0.406 176.180 176.519 0.112 0.000 1.002 174 W CA -1.183 56.227 57.345 0.109 0.000 1.465 174 W CB -0.101 29.432 29.460 0.122 0.000 1.300 174 W HN 0.473 8.653 8.180 -0.000 0.000 0.378 175 A N 3.999 126.932 122.820 0.188 0.000 2.535 175 A HA 0.229 4.570 4.320 0.036 0.000 0.273 175 A C -0.467 177.104 177.584 -0.022 0.000 1.267 175 A CA -0.004 52.046 52.037 0.021 0.000 0.940 175 A CB -0.034 18.979 19.000 0.021 0.000 1.101 175 A HN 0.334 8.484 8.150 -0.000 0.000 0.521 176 D N -0.270 120.130 120.400 0.000 0.000 2.319 176 D HA 0.209 4.870 4.640 0.036 0.000 0.237 176 D C 0.745 177.121 176.300 0.126 0.000 1.353 176 D CA -0.338 53.739 54.000 0.128 0.000 0.992 176 D CB 0.575 41.496 40.800 0.201 0.000 1.368 176 D HN -0.012 8.358 8.370 -0.000 0.000 0.564 177 M N 1.228 120.802 119.600 -0.044 0.000 2.460 177 M HA -0.064 4.437 4.480 0.036 0.000 0.263 177 M C 1.918 178.296 176.300 0.131 0.000 1.071 177 M CA 0.982 56.243 55.300 -0.066 0.000 1.096 177 M CB -1.113 31.375 32.600 -0.187 0.000 1.408 177 M HN 0.512 8.802 8.290 -0.000 0.000 0.463 178 T N -2.519 112.123 114.554 0.146 0.000 2.995 178 T HA -0.082 4.289 4.350 0.036 0.000 0.269 178 T C 1.044 175.763 174.700 0.031 0.000 1.091 178 T CA 0.493 62.644 62.100 0.085 0.000 1.128 178 T CB -0.935 67.990 68.868 0.094 0.000 0.891 178 T HN 0.488 8.728 8.240 -0.000 0.000 0.492 179 C N 2.532 121.866 119.300 0.058 0.000 3.727 179 C HA -0.111 4.370 4.460 0.036 0.000 0.293 179 C C 1.584 176.199 174.990 -0.625 0.000 1.339 179 C CA 0.660 59.405 59.018 -0.455 0.000 2.150 179 C CB -3.264 24.152 27.740 -0.541 0.000 1.383 179 C HN 0.910 9.140 8.230 -0.000 0.000 0.614 180 T N -4.067 110.387 114.554 -0.166 0.000 3.004 180 T HA 0.123 4.495 4.350 0.036 0.000 0.266 180 T C 0.218 175.022 174.700 0.175 0.000 0.986 180 T CA 0.117 62.206 62.100 -0.018 0.000 0.902 180 T CB -0.036 68.867 68.868 0.058 0.000 1.118 180 T HN 0.695 8.935 8.240 -0.000 0.000 0.522 181 N N 2.400 121.339 118.700 0.398 0.000 2.345 181 N HA 0.007 4.768 4.740 0.036 0.000 0.243 181 N C 0.546 176.270 175.510 0.356 0.000 1.246 181 N CA 0.049 53.334 53.050 0.392 0.000 0.863 181 N CB 0.520 39.248 38.487 0.402 0.000 1.096 181 N HN 0.174 8.554 8.380 -0.000 0.000 0.446 182 D N 0.370 120.882 120.400 0.187 0.000 2.149 182 D HA -0.199 4.462 4.640 0.036 0.000 0.194 182 D C 1.763 178.128 176.300 0.109 0.000 1.001 182 D CA 1.597 55.673 54.000 0.128 0.000 0.849 182 D CB -0.189 40.655 40.800 0.073 0.000 0.939 182 D HN 0.592 8.962 8.370 -0.000 0.000 0.449 183 S N -0.102 115.622 115.700 0.040 0.000 2.507 183 S HA -0.099 4.392 4.470 0.036 0.000 0.235 183 S C 1.831 176.334 174.600 -0.162 0.000 0.988 183 S CA 0.188 58.337 58.200 -0.085 0.000 0.944 183 S CB -0.707 62.404 63.200 -0.148 0.000 0.762 183 S HN 0.157 8.467 8.310 -0.000 0.000 0.526 184 F N 1.903 121.861 119.950 0.015 0.000 2.293 184 F HA 0.130 4.680 4.527 0.038 0.000 0.300 184 F C 2.476 178.276 175.800 0.000 0.000 1.086 184 F CA 0.958 58.959 58.000 0.002 0.000 1.375 184 F CB -0.132 38.874 39.000 0.010 0.000 1.045 184 F HN 0.204 8.504 8.300 -0.000 0.000 0.516 185 K N -0.531 119.968 120.400 0.165 0.000 2.161 185 K HA -0.020 4.321 4.320 0.036 0.000 0.205 185 K C 2.258 178.883 176.600 0.042 0.000 1.035 185 K CA 1.314 57.655 56.287 0.091 0.000 0.970 185 K CB -0.702 31.849 32.500 0.084 0.000 0.866 185 K HN 0.176 8.426 8.250 -0.000 0.000 0.461 186 T N 0.409 114.981 114.554 0.030 0.000 2.759 186 T HA -0.125 4.246 4.350 0.036 0.000 0.269 186 T C 1.642 176.336 174.700 -0.011 0.000 1.042 186 T CA 0.965 63.069 62.100 0.008 0.000 1.140 186 T CB -0.099 68.772 68.868 0.005 0.000 0.864 186 T HN -0.022 8.218 8.240 -0.000 0.000 0.455 187 R N 0.898 121.380 120.500 -0.031 0.000 2.334 187 R HA 0.542 4.903 4.340 0.036 0.000 0.216 187 R C 2.450 178.725 176.300 -0.040 0.000 0.905 187 R CA 0.591 56.663 56.100 -0.046 0.000 1.064 187 R CB -0.882 29.374 30.300 -0.073 0.000 1.046 187 R HN 0.575 8.845 8.270 -0.000 0.000 0.508 188 A N 1.632 124.441 122.820 -0.019 0.000 1.877 188 A HA -0.155 4.187 4.320 0.036 0.000 0.216 188 A C 1.967 179.545 177.584 -0.010 0.000 1.186 188 A CA 1.149 53.183 52.037 -0.006 0.000 0.620 188 A CB -0.142 18.873 19.000 0.025 0.000 0.822 188 A HN 0.100 8.250 8.150 -0.000 0.000 0.443 189 E N -0.335 119.860 120.200 -0.008 0.000 2.150 189 E HA -0.075 4.296 4.350 0.036 0.000 0.193 189 E C 2.182 178.773 176.600 -0.016 0.000 0.985 189 E CA 1.061 57.455 56.400 -0.009 0.000 0.814 189 E CB -0.314 29.382 29.700 -0.007 0.000 0.752 189 E HN 0.562 8.922 8.360 -0.000 0.000 0.466 190 A N 0.979 123.787 122.820 -0.021 0.000 2.119 190 A HA -0.093 4.248 4.320 0.036 0.000 0.216 190 A C 1.020 178.590 177.584 -0.024 0.000 1.152 190 A CA 0.370 52.392 52.037 -0.025 0.000 0.708 190 A CB 0.062 19.045 19.000 -0.029 0.000 0.805 190 A HN -0.024 8.126 8.150 -0.000 0.000 0.460 191 D N 0.177 120.563 120.400 -0.023 0.000 2.428 191 D HA 0.242 4.903 4.640 0.036 0.000 0.221 191 D C -1.749 174.543 176.300 -0.013 0.000 1.123 191 D CA -1.898 52.091 54.000 -0.018 0.000 0.869 191 D CB 1.311 42.089 40.800 -0.037 0.000 1.032 191 D HN 0.136 8.506 8.370 -0.000 0.000 0.506 192 P HA 0.020 4.440 4.420 -0.000 0.000 0.241 192 P C 0.613 177.914 177.300 0.002 0.000 1.191 192 P CA 0.179 63.273 63.100 -0.011 0.000 0.771 192 P CB 0.337 32.020 31.700 -0.027 0.000 0.929 198 G N -0.394 108.400 108.800 -0.009 0.000 2.403 198 G HA2 0.017 3.999 3.960 0.036 0.000 0.216 198 G HA3 0.017 3.999 3.960 0.036 0.000 0.216 198 G C 1.718 176.606 174.900 -0.019 0.000 1.154 198 G CA 1.167 46.263 45.100 -0.007 0.000 0.784 198 G HN 0.608 8.898 8.290 -0.000 0.000 0.538 199 I N 0.767 121.295 120.570 -0.071 0.000 2.286 199 I HA -0.170 4.021 4.170 0.036 0.000 0.248 199 I C 2.254 178.375 176.117 0.007 0.000 1.115 199 I CA 0.913 62.122 61.300 -0.152 0.000 1.392 199 I CB -0.031 37.787 38.000 -0.304 0.000 1.065 199 I HN 0.084 8.294 8.210 -0.000 0.000 0.418 200 N N 0.986 119.703 118.700 0.028 0.000 2.223 200 N HA -0.242 4.519 4.740 0.036 0.000 0.185 200 N C 1.788 177.367 175.510 0.115 0.000 1.016 200 N CA 1.123 54.224 53.050 0.084 0.000 0.863 200 N CB -0.247 38.256 38.487 0.026 0.000 0.983 200 N HN 0.304 8.684 8.380 -0.000 0.000 0.429 201 K N 1.170 121.622 120.400 0.087 0.000 2.148 201 K HA 0.067 4.408 4.320 0.036 0.000 0.204 201 K C 2.001 178.691 176.600 0.150 0.000 1.050 201 K CA 0.888 57.231 56.287 0.095 0.000 0.942 201 K CB -0.078 32.461 32.500 0.065 0.000 0.724 201 K HN 0.068 8.318 8.250 -0.000 0.000 0.446 202 M N -0.271 119.445 119.600 0.194 0.000 2.132 202 M HA -0.060 4.442 4.480 0.036 0.000 0.263 202 M C 2.213 178.766 176.300 0.422 0.000 1.065 202 M CA 1.638 57.120 55.300 0.303 0.000 1.122 202 M CB -0.321 32.472 32.600 0.322 0.000 1.365 202 M HN 0.280 8.570 8.290 -0.000 0.000 0.411 203 A N 0.495 123.620 122.820 0.507 0.000 1.908 203 A HA -0.146 4.196 4.320 0.036 0.000 0.218 203 A C 2.356 180.064 177.584 0.207 0.000 1.181 203 A CA 2.122 54.389 52.037 0.384 0.000 0.627 203 A CB -1.043 18.176 19.000 0.364 0.000 0.818 203 A HN 0.514 8.664 8.150 -0.000 0.000 0.445 204 A N -0.411 122.511 122.820 0.170 0.000 1.877 204 A HA -0.156 4.186 4.320 0.036 0.000 0.216 204 A C 2.249 179.896 177.584 0.104 0.000 1.186 204 A CA 1.597 53.693 52.037 0.098 0.000 0.620 204 A CB -0.450 18.597 19.000 0.078 0.000 0.822 204 A HN 0.544 8.694 8.150 -0.000 0.000 0.443 205 R N -2.387 118.204 120.500 0.151 0.000 2.092 205 R HA -0.112 4.249 4.340 0.036 0.000 0.231 205 R C 2.143 178.569 176.300 0.210 0.000 1.119 205 R CA 1.568 57.762 56.100 0.157 0.000 0.970 205 R CB -0.408 29.993 30.300 0.169 0.000 0.864 205 R HN 0.684 8.954 8.270 -0.000 0.000 0.440 206 Y N 1.293 121.642 120.300 0.081 0.000 2.153 206 Y HA -0.083 4.488 4.550 0.035 0.000 0.289 206 Y C 1.808 177.702 175.900 -0.012 0.000 1.127 206 Y CA 1.235 59.351 58.100 0.027 0.000 1.131 206 Y CB -0.361 38.064 38.460 -0.058 0.000 0.995 206 Y HN -0.102 8.178 8.280 -0.000 0.000 0.505 207 L N 0.283 121.419 121.223 -0.144 0.000 1.994 207 L HA -0.249 4.113 4.340 0.036 0.000 0.208 207 L C 1.127 177.927 176.870 -0.116 0.000 1.071 207 L CA 1.648 56.336 54.840 -0.254 0.000 0.745 207 L CB -0.991 40.946 42.059 -0.203 0.000 0.892 207 L HN 0.356 8.586 8.230 -0.000 0.000 0.431 208 N N -0.141 118.535 118.700 -0.041 0.000 2.705 208 N HA -0.215 4.547 4.740 0.036 0.000 0.255 208 N C 0.530 176.025 175.510 -0.025 0.000 1.008 208 N CA 0.946 53.986 53.050 -0.016 0.000 0.742 208 N CB -0.947 37.535 38.487 -0.007 0.000 0.906 208 N HN 0.652 9.032 8.380 -0.000 0.000 0.541 209 G N -2.231 106.548 108.800 -0.034 0.000 2.254 209 G HA2 -0.023 3.958 3.960 0.036 0.000 0.225 209 G HA3 -0.023 3.958 3.960 0.036 0.000 0.225 209 G C 0.432 175.307 174.900 -0.041 0.000 1.003 209 G CA 0.517 45.599 45.100 -0.031 0.000 0.622 209 G HN 1.356 9.646 8.290 -0.000 0.000 0.507 210 A N 0.404 123.190 122.820 -0.057 0.000 2.366 210 A HA 0.512 4.853 4.320 0.036 0.000 0.249 210 A C 0.398 177.917 177.584 -0.109 0.000 1.084 210 A CA 0.685 52.691 52.037 -0.052 0.000 0.794 210 A CB 0.240 19.229 19.000 -0.019 0.000 1.034 210 A HN 0.569 8.719 8.150 -0.000 0.000 0.491 211 D N 0.999 121.354 120.400 -0.075 0.000 2.401 211 D HA 0.271 4.933 4.640 0.036 0.000 0.254 211 D C 1.069 177.259 176.300 -0.183 0.000 1.192 211 D CA 0.749 54.684 54.000 -0.110 0.000 0.885 211 D CB 1.025 41.776 40.800 -0.082 0.000 1.147 211 D HN 0.490 8.860 8.370 -0.000 0.000 0.478 212 A N 4.584 127.289 122.820 -0.191 0.000 2.209 212 A HA -0.080 4.262 4.320 0.036 0.000 0.212 212 A C 1.593 179.054 177.584 -0.205 0.000 1.158 212 A CA 0.788 52.702 52.037 -0.204 0.000 0.742 212 A CB -0.061 18.858 19.000 -0.134 0.000 0.790 212 A HN 0.606 8.756 8.150 -0.000 0.000 0.472 213 K N -0.331 119.902 120.400 -0.279 0.000 2.399 213 K HA 0.067 4.408 4.320 0.036 0.000 0.204 213 K C 0.025 176.513 176.600 -0.187 0.000 1.023 213 K CA -0.350 55.683 56.287 -0.423 0.000 1.127 213 K CB 0.109 32.167 32.500 -0.736 0.000 0.856 213 K HN 0.517 8.767 8.250 -0.000 0.000 0.514 214 H N 1.934 120.864 119.070 -0.233 0.000 3.070 214 H HA -0.001 4.576 4.556 0.035 0.000 0.313 214 H C -1.981 173.291 175.328 -0.093 0.000 0.997 214 H CA -1.227 54.709 56.048 -0.186 0.000 1.438 214 H CB 1.253 30.866 29.762 -0.249 0.000 1.455 214 H HN -0.058 8.222 8.280 -0.000 0.000 0.575 215 P HA -0.131 4.289 4.420 -0.000 0.000 0.219 215 P C 0.753 178.279 177.300 0.377 0.000 1.146 215 P CA 1.469 64.657 63.100 0.145 0.000 0.808 215 P CB -0.059 31.632 31.700 -0.015 0.000 0.779 216 Y N -1.623 118.955 120.300 0.463 0.000 2.490 216 Y HA 0.143 4.714 4.550 0.034 0.000 0.285 216 Y C 2.393 178.414 175.900 0.202 0.000 1.117 216 Y CA -0.005 58.295 58.100 0.333 0.000 1.262 216 Y CB -0.201 38.486 38.460 0.378 0.000 1.043 216 Y HN -0.052 8.228 8.280 -0.000 0.000 0.553 217 A N -0.412 122.412 122.820 0.006 0.000 1.911 217 A HA 0.031 4.373 4.320 0.036 0.000 0.212 217 A C 1.084 178.589 177.584 -0.132 0.000 1.189 217 A CA 0.664 52.483 52.037 -0.363 0.000 0.639 217 A CB -0.209 18.186 19.000 -1.009 0.000 0.839 217 A HN 0.123 8.273 8.150 -0.000 0.000 0.449 218 S N 0.519 116.219 115.700 0.000 0.000 2.399 218 S HA 0.410 4.902 4.470 0.036 0.000 0.215 218 S C -2.497 172.190 174.600 0.145 0.000 1.456 218 S CA -0.859 57.393 58.200 0.086 0.000 1.199 218 S CB 1.394 64.761 63.200 0.277 0.000 1.063 218 S HN 0.160 8.470 8.310 -0.000 0.000 0.476 219 P HA 0.011 4.431 4.420 -0.000 0.000 0.234 219 P C 0.930 178.214 177.300 -0.027 0.000 1.167 219 P CA 0.590 63.730 63.100 0.067 0.000 0.763 219 P CB 0.083 31.815 31.700 0.052 0.000 0.835 220 N N -0.941 117.669 118.700 -0.150 0.000 2.443 220 N HA -0.082 4.680 4.740 0.036 0.000 0.184 220 N C 0.747 175.956 175.510 -0.502 0.000 1.037 220 N CA 0.975 53.819 53.050 -0.344 0.000 0.896 220 N CB -0.677 37.536 38.487 -0.456 0.000 0.959 220 N HN 0.279 8.659 8.380 -0.000 0.000 0.442 221 F N -0.163 119.795 119.950 0.013 0.000 2.693 221 F HA 0.411 4.965 4.527 0.044 0.000 0.303 221 F C 1.160 176.957 175.800 -0.004 0.000 1.097 221 F CA -0.544 57.455 58.000 -0.002 0.000 1.330 221 F CB -0.056 38.930 39.000 -0.022 0.000 1.067 221 F HN -0.131 8.169 8.300 -0.000 0.000 0.565 222 A N 0.614 123.505 122.820 0.119 0.000 2.271 222 A HA 0.207 4.548 4.320 0.036 0.000 0.288 222 A C 0.144 177.769 177.584 0.067 0.000 1.094 222 A CA -0.602 51.496 52.037 0.102 0.000 0.828 222 A CB 0.163 19.243 19.000 0.133 0.000 1.091 222 A HN 0.351 8.501 8.150 -0.000 0.000 0.493 223 N N 1.226 119.964 118.700 0.064 0.000 2.411 223 N HA 0.211 4.972 4.740 0.036 0.000 0.259 223 N C 0.051 175.592 175.510 0.052 0.000 1.103 223 N CA -0.302 52.777 53.050 0.049 0.000 0.954 223 N CB 0.317 38.830 38.487 0.043 0.000 1.085 223 N HN 0.583 8.963 8.380 -0.000 0.000 0.485 224 L N 2.615 123.860 121.223 0.036 0.000 2.607 224 L HA 0.167 4.529 4.340 0.036 0.000 0.228 224 L C 0.802 177.687 176.870 0.026 0.000 1.123 224 L CA -0.054 54.803 54.840 0.029 0.000 0.890 224 L CB -0.138 41.931 42.059 0.016 0.000 1.103 224 L HN 0.454 8.684 8.230 -0.000 0.000 0.468 225 K N 1.365 121.782 120.400 0.028 0.000 2.504 225 K HA 0.060 4.401 4.320 0.036 0.000 0.278 225 K C 1.142 177.759 176.600 0.027 0.000 1.025 225 K CA 1.011 57.313 56.287 0.026 0.000 1.093 225 K CB 0.223 32.739 32.500 0.026 0.000 0.873 225 K HN 0.334 8.584 8.250 -0.000 0.000 0.483 226 G N 2.215 111.030 108.800 0.025 0.000 2.213 226 G HA2 -0.232 3.749 3.960 0.036 0.000 0.236 226 G HA3 -0.232 3.749 3.960 0.036 0.000 0.236 226 G C 0.206 175.119 174.900 0.023 0.000 0.991 226 G CA -0.447 44.668 45.100 0.026 0.000 0.629 226 G HN 0.443 8.733 8.290 -0.000 0.000 0.517 227 L N 2.396 123.630 121.223 0.018 0.000 2.452 227 L HA 0.361 4.722 4.340 0.036 0.000 0.267 227 L C -0.939 175.941 176.870 0.016 0.000 1.188 227 L CA -1.289 53.556 54.840 0.008 0.000 0.821 227 L CB 0.330 42.389 42.059 -0.000 0.000 1.102 227 L HN 0.120 8.350 8.230 -0.000 0.000 0.470 228 P HA 0.375 4.795 4.420 -0.000 0.000 0.297 228 P C -2.750 174.579 177.300 0.047 0.000 1.307 228 P CA -1.988 61.129 63.100 0.028 0.000 0.773 228 P CB -0.140 31.574 31.700 0.024 0.000 1.265 229 P HA 0.232 4.652 4.420 -0.000 0.000 0.275 229 P C -0.737 176.697 177.300 0.223 0.000 1.227 229 P CA 0.181 63.366 63.100 0.142 0.000 0.781 229 P CB 0.185 31.973 31.700 0.147 0.000 0.906 230 L N 3.665 124.982 121.223 0.155 0.000 2.322 230 L HA 0.447 4.808 4.340 0.036 0.000 0.281 230 L C -0.381 176.348 176.870 -0.235 0.000 1.014 230 L CA -0.494 54.346 54.840 0.001 0.000 0.815 230 L CB 1.158 43.197 42.059 -0.033 0.000 1.247 230 L HN 0.250 8.480 8.230 -0.000 0.000 0.421 231 L N 5.315 126.161 121.223 -0.628 0.000 2.287 231 L HA 0.626 4.987 4.340 0.036 0.000 0.287 231 L C -0.778 175.863 176.870 -0.382 0.000 1.022 231 L CA 0.106 54.472 54.840 -0.790 0.000 0.814 231 L CB 0.861 42.023 42.059 -1.494 0.000 1.217 231 L HN 0.444 8.674 8.230 -0.000 0.000 0.420 232 I N 5.032 125.503 120.570 -0.166 0.000 2.362 232 I HA 0.342 4.534 4.170 0.036 0.000 0.289 232 I C -0.683 175.542 176.117 0.179 0.000 0.994 232 I CA -0.668 60.611 61.300 -0.034 0.000 1.158 232 I CB 1.042 39.048 38.000 0.010 0.000 1.315 232 I HN 0.524 8.734 8.210 -0.000 0.000 0.451 233 H N 4.791 123.879 119.070 0.030 0.000 2.458 233 H HA 0.749 5.318 4.556 0.022 0.000 0.330 233 H C -0.743 174.737 175.328 0.252 0.000 1.111 233 H CA -0.742 55.418 56.048 0.188 0.000 1.245 233 H CB 2.179 31.970 29.762 0.047 0.000 1.456 233 H HN 0.320 8.600 8.280 -0.000 0.000 0.488 234 V N 1.942 122.170 119.914 0.524 0.000 3.147 234 V HA 0.674 4.815 4.120 0.036 0.000 0.299 234 V C -0.342 175.967 176.094 0.359 0.000 1.302 234 V CA -0.461 62.099 62.300 0.433 0.000 1.015 234 V CB 2.470 34.438 31.823 0.242 0.000 1.086 234 V HN 0.914 9.104 8.190 -0.000 0.000 0.437 235 G N 2.420 111.371 108.800 0.252 0.000 2.389 235 G HA2 0.464 4.445 3.960 0.036 0.000 0.317 235 G HA3 0.464 4.445 3.960 0.036 0.000 0.317 235 G C 0.303 175.192 174.900 -0.017 0.000 1.137 235 G CA -0.279 44.778 45.100 -0.072 0.000 0.870 235 G HN 0.993 9.283 8.290 -0.000 0.000 0.496 236 R N 0.190 120.646 120.500 -0.073 0.000 2.127 236 R HA -0.074 4.288 4.340 0.036 0.000 0.238 236 R C 0.097 176.372 176.300 -0.041 0.000 1.134 236 R CA 1.334 57.406 56.100 -0.046 0.000 0.975 236 R CB 0.178 30.442 30.300 -0.060 0.000 0.865 236 R HN 0.429 8.699 8.270 -0.000 0.000 0.447 237 D N 1.303 121.675 120.400 -0.046 0.000 3.139 237 D HA 0.060 4.721 4.640 0.036 0.000 0.268 237 D C -0.830 175.462 176.300 -0.014 0.000 1.322 237 D CA 0.125 54.104 54.000 -0.035 0.000 0.940 237 D CB 0.306 41.081 40.800 -0.042 0.000 1.050 237 D HN 0.488 8.858 8.370 -0.000 0.000 0.503 238 E N -2.034 118.155 120.200 -0.018 0.000 2.331 238 E HA 0.249 4.620 4.350 0.036 0.000 0.275 238 E C 0.915 177.445 176.600 -0.116 0.000 0.895 238 E CA -0.949 55.437 56.400 -0.023 0.000 0.753 238 E CB 1.788 31.538 29.700 0.083 0.000 1.216 238 E HN -0.132 8.228 8.360 -0.000 0.000 0.434 239 V N 0.831 120.623 119.914 -0.204 0.000 2.720 239 V HA -0.122 4.020 4.120 0.036 0.000 0.256 239 V C 1.323 177.018 176.094 -0.665 0.000 1.082 239 V CA 1.200 63.252 62.300 -0.413 0.000 1.101 239 V CB -0.781 30.812 31.823 -0.383 0.000 0.693 239 V HN 0.749 8.939 8.190 -0.000 0.000 0.479 240 L N -0.417 120.575 121.223 -0.386 0.000 2.611 240 L HA 0.229 4.590 4.340 0.036 0.000 0.229 240 L C 2.235 179.048 176.870 -0.094 0.000 1.137 240 L CA 0.153 54.842 54.840 -0.252 0.000 0.901 240 L CB -0.059 41.973 42.059 -0.045 0.000 1.098 240 L HN 0.337 8.567 8.230 -0.000 0.000 0.456 241 L N 0.276 121.440 121.223 -0.098 0.000 2.021 241 L HA -0.307 4.055 4.340 0.036 0.000 0.215 241 L C 1.944 178.808 176.870 -0.011 0.000 1.074 241 L CA 1.775 56.601 54.840 -0.023 0.000 0.760 241 L CB -0.073 41.965 42.059 -0.036 0.000 0.889 241 L HN 0.394 8.624 8.230 -0.000 0.000 0.433 242 D N -0.272 120.102 120.400 -0.044 0.000 2.178 242 D HA -0.176 4.486 4.640 0.036 0.000 0.201 242 D C 1.724 178.046 176.300 0.036 0.000 0.980 242 D CA 1.159 55.161 54.000 0.003 0.000 0.842 242 D CB -0.196 40.616 40.800 0.020 0.000 0.948 242 D HN 0.390 8.760 8.370 -0.000 0.000 0.472 243 D N -0.423 120.010 120.400 0.055 0.000 2.123 243 D HA -0.081 4.580 4.640 0.036 0.000 0.196 243 D C 2.050 178.384 176.300 0.057 0.000 0.992 243 D CA 0.997 55.053 54.000 0.093 0.000 0.833 243 D CB -0.119 40.789 40.800 0.180 0.000 0.954 243 D HN -0.003 8.367 8.370 -0.000 0.000 0.455 244 S N -0.444 115.293 115.700 0.061 0.000 2.371 244 S HA -0.003 4.488 4.470 0.036 0.000 0.224 244 S C 2.095 176.720 174.600 0.041 0.000 1.029 244 S CA 0.311 58.547 58.200 0.059 0.000 0.978 244 S CB -0.082 63.171 63.200 0.089 0.000 0.833 244 S HN 0.230 8.540 8.310 -0.000 0.000 0.466 245 I N 1.429 122.020 120.570 0.035 0.000 2.208 245 I HA -0.238 3.953 4.170 0.036 0.000 0.245 245 I C 2.381 178.506 176.117 0.013 0.000 1.097 245 I CA 1.294 62.609 61.300 0.026 0.000 1.363 245 I CB -0.246 37.767 38.000 0.021 0.000 1.051 245 I HN 0.202 8.412 8.210 -0.000 0.000 0.413 246 K N 0.312 120.716 120.400 0.006 0.000 2.057 246 K HA -0.171 4.171 4.320 0.036 0.000 0.206 246 K C 2.084 178.664 176.600 -0.034 0.000 1.050 246 K CA 1.127 57.403 56.287 -0.018 0.000 0.935 246 K CB -0.306 32.173 32.500 -0.035 0.000 0.715 246 K HN 0.109 8.359 8.250 -0.000 0.000 0.439 247 L N 1.966 123.172 121.223 -0.029 0.000 2.043 247 L HA -0.251 4.111 4.340 0.036 0.000 0.212 247 L C 1.760 178.621 176.870 -0.015 0.000 1.075 247 L CA 2.056 56.878 54.840 -0.030 0.000 0.752 247 L CB -0.571 41.480 42.059 -0.014 0.000 0.891 247 L HN 0.157 8.387 8.230 -0.000 0.000 0.432 248 D N -0.709 119.690 120.400 -0.001 0.000 2.117 248 D HA -0.162 4.499 4.640 0.036 0.000 0.197 248 D C 2.066 178.369 176.300 0.005 0.000 0.987 248 D CA 1.494 55.498 54.000 0.006 0.000 0.829 248 D CB -0.040 40.770 40.800 0.018 0.000 0.961 248 D HN 0.477 8.847 8.370 -0.000 0.000 0.460 249 A N -0.077 122.744 122.820 0.001 0.000 1.897 249 A HA -0.066 4.276 4.320 0.036 0.000 0.215 249 A C 2.116 179.699 177.584 -0.002 0.000 1.181 249 A CA 1.698 53.737 52.037 0.003 0.000 0.620 249 A CB -0.564 18.438 19.000 0.003 0.000 0.821 249 A HN 0.163 8.313 8.150 -0.000 0.000 0.443 250 K N 0.339 120.732 120.400 -0.013 0.000 2.020 250 K HA -0.126 4.215 4.320 0.036 0.000 0.212 250 K C 2.051 178.649 176.600 -0.004 0.000 1.050 250 K CA 1.879 58.157 56.287 -0.015 0.000 0.929 250 K CB -0.604 31.872 32.500 -0.040 0.000 0.714 250 K HN 0.340 8.590 8.250 -0.000 0.000 0.443 251 A N 0.819 123.638 122.820 -0.003 0.000 1.917 251 A HA -0.240 4.102 4.320 0.036 0.000 0.219 251 A C 2.028 179.619 177.584 0.012 0.000 1.182 251 A CA 2.042 54.082 52.037 0.005 0.000 0.633 251 A CB -0.497 18.506 19.000 0.004 0.000 0.819 251 A HN 0.343 8.493 8.150 -0.000 0.000 0.448 252 K N -0.684 119.723 120.400 0.012 0.000 2.025 252 K HA -0.018 4.324 4.320 0.036 0.000 0.207 252 K C 2.418 179.027 176.600 0.015 0.000 1.049 252 K CA 0.972 57.269 56.287 0.016 0.000 0.933 252 K CB -0.386 32.123 32.500 0.016 0.000 0.714 252 K HN 0.431 8.681 8.250 -0.000 0.000 0.438 253 A N 2.148 124.976 122.820 0.012 0.000 1.903 253 A HA -0.225 4.116 4.320 0.036 0.000 0.219 253 A C 1.446 179.038 177.584 0.015 0.000 1.191 253 A CA 2.185 54.229 52.037 0.013 0.000 0.638 253 A CB -0.516 18.490 19.000 0.011 0.000 0.823 253 A HN 0.217 8.367 8.150 -0.000 0.000 0.451 254 D N -1.550 118.858 120.400 0.015 0.000 2.336 254 D HA 0.302 4.963 4.640 0.036 0.000 0.229 254 D C 1.364 177.676 176.300 0.019 0.000 1.061 254 D CA 1.127 55.138 54.000 0.017 0.000 0.875 254 D CB -0.071 40.739 40.800 0.017 0.000 0.904 254 D HN 0.669 9.039 8.370 -0.000 0.000 0.525 255 G N -0.176 108.635 108.800 0.019 0.000 2.176 255 G HA2 -0.292 3.689 3.960 0.036 0.000 0.253 255 G HA3 -0.292 3.689 3.960 0.036 0.000 0.253 255 G C 0.459 175.374 174.900 0.024 0.000 0.979 255 G CA 0.253 45.366 45.100 0.021 0.000 0.641 255 G HN 0.296 8.586 8.290 -0.000 0.000 0.530 256 V N 0.655 120.583 119.914 0.024 0.000 2.637 256 V HA 0.356 4.497 4.120 0.036 0.000 0.296 256 V C 1.077 177.192 176.094 0.035 0.000 1.046 256 V CA -0.027 62.290 62.300 0.028 0.000 1.066 256 V CB 1.464 33.301 31.823 0.022 0.000 0.968 256 V HN 0.311 8.501 8.190 -0.000 0.000 0.483 257 K N 3.358 123.785 120.400 0.046 0.000 2.237 257 K HA 0.150 4.491 4.320 0.036 0.000 0.283 257 K C 0.115 176.759 176.600 0.073 0.000 1.080 257 K CA 0.516 56.840 56.287 0.062 0.000 0.965 257 K CB 0.017 32.560 32.500 0.073 0.000 1.098 257 K HN 0.745 8.995 8.250 -0.000 0.000 0.434 258 S N 2.584 118.316 115.700 0.053 0.000 2.489 258 S HA 0.454 4.945 4.470 0.036 0.000 0.291 258 S C -0.847 173.777 174.600 0.039 0.000 1.151 258 S CA -0.604 57.618 58.200 0.036 0.000 1.082 258 S CB 0.839 64.050 63.200 0.018 0.000 1.019 258 S HN 0.526 8.836 8.310 -0.000 0.000 0.492 259 T N 5.479 120.039 114.554 0.009 0.000 2.833 259 T HA 0.362 4.733 4.350 0.036 0.000 0.297 259 T C -0.727 173.971 174.700 -0.004 0.000 1.015 259 T CA -0.435 61.672 62.100 0.012 0.000 0.963 259 T CB 0.667 69.547 68.868 0.021 0.000 0.955 259 T HN 0.568 8.808 8.240 -0.000 0.000 0.449 260 L N 3.897 125.145 121.223 0.041 0.000 2.257 260 L HA 0.451 4.812 4.340 0.036 0.000 0.290 260 L C -0.243 176.704 176.870 0.128 0.000 1.044 260 L CA -0.459 54.430 54.840 0.081 0.000 0.810 260 L CB 0.733 42.831 42.059 0.065 0.000 1.193 260 L HN 0.669 8.899 8.230 -0.000 0.000 0.425 261 E N 5.999 126.342 120.200 0.238 0.000 2.129 261 E HA 0.353 4.724 4.350 0.036 0.000 0.268 261 E C -0.878 175.916 176.600 0.323 0.000 0.900 261 E CA -0.483 56.069 56.400 0.254 0.000 0.755 261 E CB 2.206 32.140 29.700 0.390 0.000 1.117 261 E HN 0.510 8.870 8.360 -0.000 0.000 0.410 262 I N 2.947 123.616 120.570 0.165 0.000 2.337 262 I HA 0.152 4.344 4.170 0.036 0.000 0.291 262 I C -0.571 175.601 176.117 0.091 0.000 1.046 262 I CA -0.418 60.974 61.300 0.153 0.000 1.324 262 I CB 0.387 38.420 38.000 0.055 0.000 1.409 262 I HN 0.386 8.596 8.210 -0.000 0.000 0.494 263 W N 5.774 126.931 121.300 -0.240 0.000 2.331 263 W HA 0.280 4.954 4.660 0.024 0.000 0.306 263 W C 0.271 176.565 176.519 -0.376 0.000 1.162 263 W CA -0.539 56.578 57.345 -0.381 0.000 1.232 263 W CB 0.294 29.316 29.460 -0.729 0.000 1.235 263 W HN 0.375 8.555 8.180 -0.000 0.000 0.479 264 D N 3.604 123.922 120.400 -0.137 0.000 2.443 264 D HA -0.060 4.601 4.640 0.036 0.000 0.239 264 D C 0.752 176.966 176.300 -0.143 0.000 1.136 264 D CA 1.084 55.007 54.000 -0.128 0.000 0.879 264 D CB 0.660 41.387 40.800 -0.122 0.000 1.195 264 D HN 0.512 8.882 8.370 -0.000 0.000 0.443 265 D N -0.440 119.886 120.400 -0.124 0.000 2.978 265 D HA -0.189 4.472 4.640 0.036 0.000 0.205 265 D C 0.306 176.506 176.300 -0.166 0.000 1.093 265 D CA 0.832 54.760 54.000 -0.119 0.000 1.006 265 D CB -0.430 40.311 40.800 -0.098 0.000 1.116 265 D HN 0.319 8.689 8.370 -0.000 0.000 0.419 266 M N 0.516 119.949 119.600 -0.280 0.000 2.288 266 M HA 0.462 4.963 4.480 0.036 0.000 0.334 266 M C 0.974 177.173 176.300 -0.168 0.000 1.150 266 M CA -0.619 54.426 55.300 -0.425 0.000 1.118 266 M CB 1.117 32.959 32.600 -1.262 0.000 1.501 266 M HN 0.068 8.358 8.290 -0.000 0.000 0.462 267 I N -1.444 119.148 120.570 0.036 0.000 2.947 267 I HA 0.413 4.604 4.170 0.036 0.000 0.314 267 I C 0.167 176.533 176.117 0.416 0.000 1.028 267 I CA -1.159 60.251 61.300 0.184 0.000 1.077 267 I CB 0.689 38.782 38.000 0.156 0.000 1.274 267 I HN 0.532 8.742 8.210 -0.000 0.000 0.485 268 H N 2.886 122.104 119.070 0.248 0.000 3.232 268 H HA 0.009 4.586 4.556 0.034 0.000 0.276 268 H C 0.294 175.826 175.328 0.340 0.000 0.882 268 H CA 0.976 57.179 56.048 0.258 0.000 1.415 268 H CB -0.129 29.722 29.762 0.148 0.000 1.405 268 H HN 0.567 8.847 8.280 -0.000 0.000 0.543 269 V N 4.998 124.924 119.914 0.019 0.000 5.691 269 V HA -0.331 3.810 4.120 0.036 0.000 0.288 269 V C 1.586 177.796 176.094 0.193 0.000 0.615 269 V CA 1.494 63.756 62.300 -0.065 0.000 0.619 269 V CB -2.465 29.194 31.823 -0.274 0.000 0.296 269 V HN 1.023 9.213 8.190 -0.000 0.000 0.834 270 W N 0.192 121.646 121.300 0.257 0.000 2.364 270 W HA -0.149 4.525 4.660 0.023 0.000 0.281 270 W C 1.672 178.308 176.519 0.195 0.000 1.219 270 W CA 1.363 58.874 57.345 0.276 0.000 1.220 270 W CB -0.854 28.659 29.460 0.089 0.000 1.127 270 W HN 0.541 8.721 8.180 -0.000 0.000 0.556 271 H N 1.671 120.308 119.070 -0.722 0.000 2.368 271 H HA -0.230 4.345 4.556 0.031 0.000 0.292 271 H C 2.305 177.540 175.328 -0.156 0.000 1.117 271 H CA 2.679 58.435 56.048 -0.488 0.000 1.231 271 H CB -1.323 28.113 29.762 -0.544 0.000 1.359 271 H HN 0.382 8.662 8.280 -0.000 0.000 0.490 272 A N -0.066 122.699 122.820 -0.091 0.000 2.168 272 A HA 0.016 4.358 4.320 0.036 0.000 0.215 272 A C 1.059 178.463 177.584 -0.300 0.000 1.152 272 A CA 0.560 52.462 52.037 -0.225 0.000 0.716 272 A CB -0.564 18.148 19.000 -0.480 0.000 0.794 272 A HN 0.362 8.512 8.150 -0.000 0.000 0.465 273 F N -0.285 119.731 119.950 0.109 0.000 2.645 273 F HA 0.132 4.679 4.527 0.033 0.000 0.300 273 F C 1.762 177.492 175.800 -0.118 0.000 1.115 273 F CA 0.170 58.203 58.000 0.055 0.000 1.355 273 F CB -0.638 38.438 39.000 0.126 0.000 1.026 273 F HN 0.565 8.865 8.300 -0.000 0.000 0.536 274 H N 0.025 119.088 119.070 -0.013 0.000 2.400 274 H HA -0.166 4.411 4.556 0.036 0.000 0.295 274 H C -1.093 174.165 175.328 -0.117 0.000 1.118 274 H CA 1.660 57.669 56.048 -0.067 0.000 1.256 274 H CB -2.294 27.401 29.762 -0.111 0.000 1.365 274 H HN 0.116 8.396 8.280 -0.000 0.000 0.502 275 P HA -0.137 4.283 4.420 -0.000 0.000 0.220 275 P C 1.361 178.518 177.300 -0.239 0.000 1.148 275 P CA 2.052 64.844 63.100 -0.514 0.000 0.803 275 P CB -0.045 31.126 31.700 -0.881 0.000 0.782 276 M N -4.172 115.331 119.600 -0.163 0.000 2.292 276 M HA 0.329 4.831 4.480 0.036 0.000 0.286 276 M C -0.052 176.262 176.300 0.024 0.000 1.002 276 M CA 0.009 55.288 55.300 -0.035 0.000 1.029 276 M CB 0.511 33.119 32.600 0.014 0.000 1.537 276 M HN -0.204 8.086 8.290 -0.000 0.000 0.543 277 L N 2.703 123.962 121.223 0.060 0.000 2.316 277 L HA 0.539 4.901 4.340 0.036 0.000 0.280 277 L C -2.224 174.712 176.870 0.110 0.000 1.006 277 L CA -1.709 53.192 54.840 0.102 0.000 0.836 277 L CB 1.845 44.011 42.059 0.178 0.000 1.221 277 L HN -0.193 8.037 8.230 -0.000 0.000 0.418 278 P HA -0.126 4.294 4.420 -0.000 0.000 0.218 278 P C 0.615 178.002 177.300 0.145 0.000 1.148 278 P CA 1.182 64.340 63.100 0.097 0.000 0.822 278 P CB 0.477 32.224 31.700 0.077 0.000 0.784 279 E N -1.035 119.276 120.200 0.186 0.000 2.208 279 E HA -0.053 4.318 4.350 0.036 0.000 0.193 279 E C 2.198 178.965 176.600 0.279 0.000 0.988 279 E CA 1.231 57.804 56.400 0.289 0.000 0.828 279 E CB -1.167 28.685 29.700 0.253 0.000 0.763 279 E HN 0.214 8.574 8.360 -0.000 0.000 0.478 280 G N 1.881 110.818 108.800 0.229 0.000 2.404 280 G HA2 -0.333 3.649 3.960 0.036 0.000 0.215 280 G HA3 -0.333 3.649 3.960 0.036 0.000 0.215 280 G C 1.458 176.332 174.900 -0.042 0.000 1.174 280 G CA 1.108 46.216 45.100 0.013 0.000 0.780 280 G HN 0.332 8.622 8.290 -0.000 0.000 0.537 281 K N 0.235 120.673 120.400 0.063 0.000 2.097 281 K HA -0.051 4.290 4.320 0.036 0.000 0.205 281 K C 2.313 178.934 176.600 0.035 0.000 1.050 281 K CA 1.469 57.781 56.287 0.042 0.000 0.938 281 K CB -0.372 32.169 32.500 0.070 0.000 0.718 281 K HN 0.365 8.615 8.250 -0.000 0.000 0.442 282 Q N 0.473 120.331 119.800 0.096 0.000 2.050 282 Q HA -0.098 4.264 4.340 0.036 0.000 0.202 282 Q C 2.349 178.458 176.000 0.181 0.000 0.980 282 Q CA 1.719 57.638 55.803 0.194 0.000 0.840 282 Q CB -0.246 28.701 28.738 0.349 0.000 0.898 282 Q HN 0.545 8.815 8.270 -0.000 0.000 0.424 283 A N 0.895 123.643 122.820 -0.121 0.000 1.908 283 A HA -0.206 4.135 4.320 0.036 0.000 0.218 283 A C 2.019 179.572 177.584 -0.052 0.000 1.181 283 A CA 1.325 53.101 52.037 -0.434 0.000 0.627 283 A CB -0.750 17.426 19.000 -1.373 0.000 0.818 283 A HN 0.343 8.493 8.150 -0.000 0.000 0.445 284 I N -0.477 120.031 120.570 -0.104 0.000 2.226 284 I HA -0.222 3.969 4.170 0.036 0.000 0.245 284 I C 2.352 178.491 176.117 0.037 0.000 1.100 284 I CA 1.159 62.456 61.300 -0.006 0.000 1.374 284 I CB -0.376 37.567 38.000 -0.096 0.000 1.057 284 I HN 0.161 8.371 8.210 -0.000 0.000 0.413 285 V N 0.954 120.902 119.914 0.056 0.000 2.332 285 V HA -0.304 3.837 4.120 0.036 0.000 0.248 285 V C 2.650 178.829 176.094 0.141 0.000 1.055 285 V CA 2.052 64.406 62.300 0.089 0.000 1.038 285 V CB -0.759 31.121 31.823 0.096 0.000 0.651 285 V HN 0.398 8.588 8.190 -0.000 0.000 0.450 286 R N 0.558 121.187 120.500 0.215 0.000 2.073 286 R HA -0.121 4.240 4.340 0.036 0.000 0.234 286 R C 2.064 178.496 176.300 0.220 0.000 1.134 286 R CA 1.990 58.265 56.100 0.291 0.000 0.952 286 R CB -1.257 29.340 30.300 0.495 0.000 0.850 286 R HN 0.322 8.592 8.270 -0.000 0.000 0.433 287 V N 0.201 120.197 119.914 0.137 0.000 2.282 287 V HA -0.233 3.908 4.120 0.036 0.000 0.249 287 V C 2.257 178.395 176.094 0.073 0.000 1.057 287 V CA 2.282 64.586 62.300 0.007 0.000 1.032 287 V CB -1.178 30.597 31.823 -0.081 0.000 0.645 287 V HN 0.666 8.856 8.190 -0.000 0.000 0.447 288 G N -1.297 107.547 108.800 0.074 0.000 2.421 288 G HA2 -0.174 3.807 3.960 0.036 0.000 0.217 288 G HA3 -0.174 3.807 3.960 0.036 0.000 0.217 288 G C 1.446 176.397 174.900 0.085 0.000 1.143 288 G CA 0.658 45.801 45.100 0.072 0.000 0.784 288 G HN 0.563 8.853 8.290 -0.000 0.000 0.541 289 E N -0.381 119.888 120.200 0.116 0.000 2.058 289 E HA -0.138 4.233 4.350 0.036 0.000 0.194 289 E C 2.030 178.688 176.600 0.097 0.000 0.997 289 E CA 0.903 57.372 56.400 0.115 0.000 0.801 289 E CB -0.256 29.528 29.700 0.140 0.000 0.746 289 E HN 0.450 8.810 8.360 -0.000 0.000 0.450 290 F N 1.158 121.098 119.950 -0.017 0.000 2.095 290 F HA -0.227 4.322 4.527 0.036 0.000 0.298 290 F C 2.213 177.909 175.800 -0.173 0.000 1.104 290 F CA 1.535 59.497 58.000 -0.063 0.000 1.232 290 F CB -0.068 38.897 39.000 -0.058 0.000 0.987 290 F HN -0.051 8.249 8.300 -0.000 0.000 0.475 291 M N -0.325 119.174 119.600 -0.167 0.000 2.149 291 M HA -0.217 4.285 4.480 0.036 0.000 0.261 291 M C 2.302 178.223 176.300 -0.633 0.000 1.064 291 M CA 1.721 56.639 55.300 -0.637 0.000 1.102 291 M CB -0.493 31.682 32.600 -0.709 0.000 1.369 291 M HN 0.066 8.356 8.290 -0.000 0.000 0.408 292 R N 0.229 120.633 120.500 -0.160 0.000 2.066 292 R HA -0.117 4.244 4.340 0.036 0.000 0.232 292 R C 2.077 178.388 176.300 0.019 0.000 1.131 292 R CA 1.460 57.626 56.100 0.110 0.000 0.955 292 R CB -0.303 30.091 30.300 0.158 0.000 0.851 292 R HN 0.485 8.755 8.270 -0.000 0.000 0.432 293 E N 0.295 120.433 120.200 -0.104 0.000 2.049 293 E HA -0.240 4.131 4.350 0.036 0.000 0.198 293 E C 2.138 178.625 176.600 -0.187 0.000 1.007 293 E CA 1.145 57.465 56.400 -0.134 0.000 0.809 293 E CB -0.003 29.581 29.700 -0.194 0.000 0.749 293 E HN 0.266 8.626 8.360 -0.000 0.000 0.450 294 Q N -0.459 119.096 119.800 -0.408 0.000 2.167 294 Q HA -0.145 4.217 4.340 0.036 0.000 0.202 294 Q C 1.894 177.834 176.000 -0.100 0.000 0.970 294 Q CA 0.937 56.515 55.803 -0.375 0.000 0.855 294 Q CB -0.218 28.143 28.738 -0.629 0.000 0.911 294 Q HN 0.486 8.756 8.270 -0.000 0.000 0.438 295 W N 0.233 121.491 121.300 -0.070 0.000 2.467 295 W HA 0.145 4.833 4.660 0.048 0.000 0.275 295 W C 2.057 178.587 176.519 0.018 0.000 1.239 295 W CA 0.708 58.060 57.345 0.010 0.000 1.266 295 W CB -0.594 28.892 29.460 0.043 0.000 1.112 295 W HN 0.133 8.313 8.180 -0.000 0.000 0.576 296 A N -0.030 122.908 122.820 0.197 0.000 2.072 296 A HA 0.372 4.714 4.320 0.036 0.000 0.216 296 A C 1.449 179.077 177.584 0.073 0.000 1.156 296 A CA 0.984 53.090 52.037 0.116 0.000 0.701 296 A CB -0.644 18.405 19.000 0.081 0.000 0.816 296 A HN -0.032 8.118 8.150 -0.000 0.000 0.458 297 A N 0.000 122.847 122.820 0.046 0.000 2.254 297 A HA 0.000 4.341 4.320 0.036 0.000 0.244 297 A CA 0.000 52.052 52.037 0.025 0.000 0.836 297 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 297 A HN 0.000 8.150 8.150 -0.000 0.000 0.486