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 3pdb_1_C DATA FIRST_RESID 30 DATA SEQUENCE SSWWTHVEMG PPDPILGVTE AFKRDTNSKK MNLGVGAYRD DNGKPYVLPS DATA SEQUENCE VRKAEAQIAA KNLDKEYLPI GGLAEFCKAS AELALGENNE VLKSGRFVTV DATA SEQUENCE QTISGTGALR VGASFLQRFF KFSRDVFLPK PSWGNHTPIF RDAGMQLQGY DATA SEQUENCE RYYDPKTCGF DFSGALEDIS KIPEQSVLLL HACAHNPTGV DPRPEQWKEI DATA SEQUENCE ASVVKKKNLF AFFDMAYQGF ASGDGDKDAW AVRHFIEQGI NVCLCQSYAX DATA SEQUENCE NMGLYGERVG AFTVVCKDAE EAKRVESQLK ILIRPLYSNP PLNGARIAAT DATA SEQUENCE ILTSPDLRKQ WLQEVKGMAD RIISMRTQLV SNLKKEGSSH NWQHITDQIG DATA SEQUENCE MFCFTGLKPE QVERLTKEFS VYMTKDGRIS VAGVTSGNVG YLAHAIHQVT DATA SEQUENCE K 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 30 S HA 0.000 4.470 4.470 0.000 0.000 0.327 30 S C 0.000 174.437 174.600 -0.272 0.000 1.055 30 S CA 0.000 58.084 58.200 -0.194 0.000 1.107 30 S CB 0.000 63.070 63.200 -0.217 0.000 0.593 31 S N -0.611 114.901 115.700 -0.313 0.000 2.819 31 S HA 0.630 5.099 4.470 -0.001 0.000 0.299 31 S C -0.211 174.082 174.600 -0.512 0.000 1.192 31 S CA -0.864 57.069 58.200 -0.446 0.000 0.847 31 S CB -0.115 62.949 63.200 -0.227 0.000 1.224 31 S HN 0.910 9.220 8.310 0.000 0.000 0.537 32 W N -0.149 120.857 121.300 -0.490 0.000 2.374 32 W HA 0.132 4.791 4.660 -0.000 0.000 0.288 32 W C 1.038 177.077 176.519 -0.800 0.000 1.218 32 W CA 0.281 57.075 57.345 -0.918 0.000 1.245 32 W CB -0.133 28.336 29.460 -1.651 0.000 1.126 32 W HN 0.716 8.896 8.180 0.000 0.000 0.545 33 W N -1.259 120.142 121.300 0.169 0.000 2.846 33 W HA 0.205 4.864 4.660 -0.002 0.000 0.391 33 W C 1.706 178.260 176.519 0.059 0.000 1.011 33 W CA -0.136 57.279 57.345 0.117 0.000 1.832 33 W CB -0.566 28.965 29.460 0.119 0.000 1.151 33 W HN -0.389 7.791 8.180 0.000 0.000 0.582 34 T N -0.163 114.459 114.554 0.113 0.000 2.684 34 T HA -0.324 4.025 4.350 -0.001 0.000 0.267 34 T C 0.914 175.716 174.700 0.170 0.000 1.032 34 T CA 1.892 64.014 62.100 0.036 0.000 1.155 34 T CB -0.444 68.313 68.868 -0.185 0.000 0.857 34 T HN 0.430 8.670 8.240 0.000 0.000 0.457 35 H N -0.652 118.495 119.070 0.128 0.000 2.517 35 H HA 0.340 4.895 4.556 -0.001 0.000 0.282 35 H C -0.053 175.349 175.328 0.124 0.000 1.023 35 H CA -0.765 55.346 56.048 0.105 0.000 1.169 35 H CB 0.403 30.215 29.762 0.084 0.000 1.454 35 H HN 0.121 8.401 8.280 0.000 0.000 0.556 36 V N 2.274 122.353 119.914 0.275 0.000 2.455 36 V HA 0.007 4.126 4.120 -0.001 0.000 0.273 36 V C 0.339 176.507 176.094 0.124 0.000 1.045 36 V CA -0.039 62.377 62.300 0.194 0.000 0.976 36 V CB 1.088 33.025 31.823 0.189 0.000 0.993 36 V HN 0.358 8.548 8.190 0.000 0.000 0.475 37 E N 3.410 123.660 120.200 0.084 0.000 2.266 37 E HA 0.333 4.682 4.350 -0.001 0.000 0.277 37 E C -0.114 176.507 176.600 0.035 0.000 1.018 37 E CA -0.957 55.477 56.400 0.056 0.000 0.840 37 E CB 1.387 31.110 29.700 0.039 0.000 1.082 37 E HN 0.580 8.940 8.360 0.000 0.000 0.395 38 M N 2.273 121.891 119.600 0.030 0.000 2.248 38 M HA 0.050 4.529 4.480 -0.001 0.000 0.343 38 M C 0.166 176.472 176.300 0.009 0.000 1.243 38 M CA 0.461 55.771 55.300 0.017 0.000 1.025 38 M CB 0.368 32.979 32.600 0.018 0.000 1.759 38 M HN 0.512 8.802 8.290 0.000 0.000 0.452 39 G N 5.458 114.258 108.800 0.001 0.000 2.504 39 G HA2 0.607 4.566 3.960 -0.001 0.000 0.288 39 G HA3 0.607 4.566 3.960 -0.001 0.000 0.288 39 G C -2.386 172.512 174.900 -0.003 0.000 1.182 39 G CA -1.161 43.937 45.100 -0.004 0.000 0.894 39 G HN 0.698 8.988 8.290 0.000 0.000 0.521 40 P HA 0.192 4.612 4.420 0.000 0.000 0.269 40 P C -2.268 175.031 177.300 -0.002 0.000 1.217 40 P CA -0.694 62.404 63.100 -0.003 0.000 0.783 40 P CB -0.124 31.572 31.700 -0.007 0.000 0.898 41 P HA 0.141 4.561 4.420 0.000 0.000 0.275 41 P C -0.503 176.799 177.300 0.003 0.000 1.228 41 P CA -0.072 63.031 63.100 0.005 0.000 0.786 41 P CB 0.518 32.225 31.700 0.012 0.000 0.927 42 D N 3.076 123.478 120.400 0.004 0.000 2.339 42 D HA 0.065 4.705 4.640 -0.001 0.000 0.256 42 D C -1.149 175.159 176.300 0.014 0.000 1.214 42 D CA -2.060 51.941 54.000 0.002 0.000 0.877 42 D CB 0.789 41.590 40.800 0.002 0.000 1.111 42 D HN 0.176 8.546 8.370 0.000 0.000 0.478 43 P HA -0.093 4.327 4.420 0.000 0.000 0.217 43 P C 1.854 179.177 177.300 0.038 0.000 1.151 43 P CA 0.675 63.790 63.100 0.026 0.000 0.828 43 P CB 0.541 32.253 31.700 0.019 0.000 0.788 44 I N -0.561 120.029 120.570 0.033 0.000 2.142 44 I HA -0.227 3.942 4.170 -0.001 0.000 0.240 44 I C 2.587 178.733 176.117 0.048 0.000 1.078 44 I CA 1.057 62.385 61.300 0.046 0.000 1.343 44 I CB -0.719 37.308 38.000 0.045 0.000 1.046 44 I HN -0.124 8.086 8.210 0.000 0.000 0.405 45 L N 0.888 122.134 121.223 0.038 0.000 2.187 45 L HA -0.139 4.200 4.340 -0.001 0.000 0.213 45 L C 2.236 179.130 176.870 0.040 0.000 1.100 45 L CA 1.863 56.724 54.840 0.035 0.000 0.765 45 L CB -0.633 41.442 42.059 0.026 0.000 0.904 45 L HN 0.222 8.452 8.230 0.000 0.000 0.437 46 G N -1.486 107.341 108.800 0.046 0.000 2.404 46 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.214 46 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.214 46 G C 1.495 176.443 174.900 0.080 0.000 1.189 46 G CA 0.785 45.918 45.100 0.055 0.000 0.789 46 G HN 0.241 8.531 8.290 0.000 0.000 0.533 47 V N 0.991 120.966 119.914 0.101 0.000 2.231 47 V HA -0.254 3.866 4.120 -0.001 0.000 0.250 47 V C 3.150 179.302 176.094 0.097 0.000 1.058 47 V CA 2.559 64.954 62.300 0.158 0.000 1.022 47 V CB -1.092 30.827 31.823 0.159 0.000 0.640 47 V HN 0.391 8.581 8.190 0.000 0.000 0.445 48 T N -0.892 113.697 114.554 0.058 0.000 2.759 48 T HA -0.229 4.121 4.350 -0.001 0.000 0.269 48 T C 1.839 176.589 174.700 0.082 0.000 1.042 48 T CA 1.893 64.018 62.100 0.042 0.000 1.140 48 T CB -0.228 68.655 68.868 0.024 0.000 0.864 48 T HN 0.609 8.849 8.240 0.000 0.000 0.455 49 E N 0.471 120.698 120.200 0.046 0.000 2.072 49 E HA 0.026 4.375 4.350 -0.001 0.000 0.190 49 E C 2.571 179.157 176.600 -0.022 0.000 0.982 49 E CA 0.766 57.179 56.400 0.023 0.000 0.803 49 E CB -0.185 29.527 29.700 0.021 0.000 0.755 49 E HN 0.442 8.802 8.360 0.000 0.000 0.453 50 A N 1.204 124.014 122.820 -0.017 0.000 1.917 50 A HA -0.239 4.080 4.320 -0.001 0.000 0.219 50 A C 2.011 179.408 177.584 -0.312 0.000 1.182 50 A CA 1.485 53.496 52.037 -0.043 0.000 0.633 50 A CB -0.904 18.175 19.000 0.133 0.000 0.819 50 A HN 0.418 8.568 8.150 0.000 0.000 0.448 51 F N 0.798 120.271 119.950 -0.795 0.000 2.091 51 F HA -0.218 4.308 4.527 -0.001 0.000 0.299 51 F C 2.095 177.639 175.800 -0.427 0.000 1.103 51 F CA 2.348 59.704 58.000 -1.073 0.000 1.228 51 F CB -0.251 38.276 39.000 -0.788 0.000 0.984 51 F HN 0.151 8.451 8.300 0.000 0.000 0.477 52 K N 0.168 120.350 120.400 -0.364 0.000 2.026 52 K HA -0.108 4.211 4.320 -0.001 0.000 0.208 52 K C 1.056 177.464 176.600 -0.319 0.000 1.048 52 K CA 1.511 57.581 56.287 -0.362 0.000 0.929 52 K CB -0.254 32.194 32.500 -0.086 0.000 0.713 52 K HN 0.260 8.510 8.250 0.000 0.000 0.439 53 R N 1.669 122.044 120.500 -0.209 0.000 4.792 53 R HA 0.072 4.412 4.340 -0.001 0.000 0.205 53 R C -0.649 175.575 176.300 -0.126 0.000 1.875 53 R CA -0.019 56.001 56.100 -0.133 0.000 1.588 53 R CB -0.344 29.915 30.300 -0.068 0.000 1.401 53 R HN 0.081 8.351 8.270 0.000 0.000 0.834 54 D N -0.035 120.252 120.400 -0.190 0.000 2.936 54 D HA 0.024 4.664 4.640 -0.001 0.000 0.238 54 D C 0.579 176.805 176.300 -0.123 0.000 1.248 54 D CA -0.594 53.340 54.000 -0.110 0.000 0.903 54 D CB 1.714 42.486 40.800 -0.046 0.000 1.544 54 D HN 0.137 8.507 8.370 0.000 0.000 0.543 55 T N 0.589 115.106 114.554 -0.061 0.000 3.188 55 T HA 0.123 4.473 4.350 -0.001 0.000 0.250 55 T C 0.742 175.417 174.700 -0.041 0.000 1.077 55 T CA -0.544 61.521 62.100 -0.058 0.000 0.967 55 T CB -0.249 68.596 68.868 -0.037 0.000 1.006 55 T HN 0.189 8.429 8.240 0.000 0.000 0.552 56 N N 2.327 121.014 118.700 -0.023 0.000 2.497 56 N HA 0.093 4.832 4.740 -0.001 0.000 0.271 56 N C 1.228 176.717 175.510 -0.036 0.000 1.142 56 N CA 0.236 53.281 53.050 -0.009 0.000 0.965 56 N CB 1.620 40.131 38.487 0.040 0.000 1.077 56 N HN 0.388 8.768 8.380 0.000 0.000 0.462 57 S N 2.864 118.536 115.700 -0.045 0.000 2.562 57 S HA 0.081 4.551 4.470 -0.001 0.000 0.221 57 S C 0.990 175.539 174.600 -0.085 0.000 0.975 57 S CA 0.445 58.610 58.200 -0.058 0.000 0.918 57 S CB 0.126 63.295 63.200 -0.052 0.000 0.772 57 S HN 0.473 8.783 8.310 0.000 0.000 0.531 58 K N 1.990 122.316 120.400 -0.124 0.000 2.404 58 K HA 0.112 4.431 4.320 -0.001 0.000 0.194 58 K C 0.424 176.933 176.600 -0.151 0.000 1.023 58 K CA 0.058 56.167 56.287 -0.295 0.000 1.094 58 K CB 0.056 32.204 32.500 -0.587 0.000 0.841 58 K HN 0.738 8.988 8.250 0.000 0.000 0.523 59 K N 0.894 121.324 120.400 0.049 0.000 2.485 59 K HA 0.099 4.418 4.320 -0.001 0.000 0.277 59 K C -0.197 176.650 176.600 0.413 0.000 0.990 59 K CA 0.429 56.880 56.287 0.272 0.000 0.994 59 K CB 0.477 33.122 32.500 0.243 0.000 0.906 59 K HN -0.150 8.100 8.250 0.000 0.000 0.488 60 M N 2.704 122.608 119.600 0.507 0.000 2.321 60 M HA 0.145 4.625 4.480 -0.001 0.000 0.315 60 M C -0.800 175.632 176.300 0.220 0.000 1.052 60 M CA -0.886 54.619 55.300 0.341 0.000 0.936 60 M CB 1.958 34.706 32.600 0.246 0.000 1.639 60 M HN 0.676 8.966 8.290 0.000 0.000 0.433 61 N N 3.878 122.415 118.700 -0.271 0.000 2.589 61 N HA 0.329 5.069 4.740 -0.001 0.000 0.232 61 N C -0.598 174.767 175.510 -0.242 0.000 1.015 61 N CA -0.178 52.496 53.050 -0.627 0.000 0.931 61 N CB 0.392 37.908 38.487 -1.618 0.000 1.150 61 N HN 0.745 9.125 8.380 0.000 0.000 0.512 62 L N 1.836 123.025 121.223 -0.056 0.000 2.741 62 L HA 0.370 4.709 4.340 -0.001 0.000 0.237 62 L C 1.519 178.422 176.870 0.054 0.000 1.178 62 L CA -0.151 54.692 54.840 0.004 0.000 0.973 62 L CB 0.403 42.487 42.059 0.042 0.000 1.255 62 L HN 0.574 8.804 8.230 0.000 0.000 0.498 63 G N -0.422 108.391 108.800 0.022 0.000 3.126 63 G HA2 0.044 4.003 3.960 -0.001 0.000 0.224 63 G HA3 0.044 4.003 3.960 -0.001 0.000 0.224 63 G C 0.473 175.426 174.900 0.088 0.000 1.142 63 G CA -0.022 45.124 45.100 0.078 0.000 0.759 63 G HN 0.079 8.369 8.290 0.000 0.000 0.550 64 V N 1.514 121.442 119.914 0.023 0.000 2.599 64 V HA 0.444 4.564 4.120 -0.001 0.000 0.300 64 V C 1.535 177.705 176.094 0.127 0.000 1.034 64 V CA 0.914 63.223 62.300 0.015 0.000 1.115 64 V CB 1.313 33.091 31.823 -0.074 0.000 0.934 64 V HN 0.133 8.323 8.190 0.000 0.000 0.485 65 G N 4.839 113.717 108.800 0.131 0.000 2.880 65 G HA2 0.488 4.447 3.960 -0.001 0.000 0.209 65 G HA3 0.488 4.447 3.960 -0.001 0.000 0.209 65 G C 0.342 175.357 174.900 0.191 0.000 1.157 65 G CA 0.565 45.817 45.100 0.253 0.000 0.779 65 G HN 1.245 9.535 8.290 0.000 0.000 0.539 66 A N -0.910 121.928 122.820 0.030 0.000 2.430 66 A HA 0.648 4.967 4.320 -0.001 0.000 0.300 66 A C -1.103 176.532 177.584 0.086 0.000 1.124 66 A CA -0.939 51.069 52.037 -0.049 0.000 0.766 66 A CB 1.016 19.667 19.000 -0.582 0.000 1.328 66 A HN 0.192 8.342 8.150 0.000 0.000 0.424 67 Y N 1.286 121.699 120.300 0.188 0.000 2.578 67 Y HA 0.404 4.953 4.550 -0.001 0.000 0.339 67 Y C 0.285 176.277 175.900 0.153 0.000 1.231 67 Y CA 0.894 59.158 58.100 0.274 0.000 1.461 67 Y CB 0.470 39.250 38.460 0.534 0.000 1.323 67 Y HN 0.568 8.848 8.280 0.000 0.000 0.590 68 R N 4.347 124.420 120.500 -0.713 0.000 2.673 68 R HA 0.189 4.528 4.340 -0.001 0.000 0.281 68 R C -0.884 174.934 176.300 -0.804 0.000 0.991 68 R CA -0.875 54.935 56.100 -0.482 0.000 0.896 68 R CB 1.355 31.493 30.300 -0.270 0.000 1.201 68 R HN 0.894 9.164 8.270 0.000 0.000 0.457 69 D N -0.228 119.966 120.400 -0.343 0.000 2.398 69 D HA -0.030 4.609 4.640 -0.001 0.000 0.264 69 D C 0.511 176.703 176.300 -0.180 0.000 1.263 69 D CA -0.295 53.566 54.000 -0.232 0.000 1.037 69 D CB 0.448 41.189 40.800 -0.098 0.000 1.101 69 D HN 0.421 8.791 8.370 0.000 0.000 0.551 70 D N -2.200 118.132 120.400 -0.114 0.000 2.350 70 D HA -0.089 4.550 4.640 -0.001 0.000 0.216 70 D C 0.122 176.388 176.300 -0.056 0.000 0.968 70 D CA 0.754 54.705 54.000 -0.082 0.000 0.894 70 D CB -0.295 40.469 40.800 -0.059 0.000 0.909 70 D HN 0.449 8.819 8.370 0.000 0.000 0.520 71 N N -1.109 117.563 118.700 -0.046 0.000 2.273 71 N HA 0.289 5.028 4.740 -0.001 0.000 0.231 71 N C 0.875 176.373 175.510 -0.020 0.000 1.134 71 N CA 0.267 53.303 53.050 -0.023 0.000 0.856 71 N CB 1.177 39.660 38.487 -0.006 0.000 1.068 71 N HN 0.042 8.422 8.380 0.000 0.000 0.510 72 G N 0.480 109.252 108.800 -0.047 0.000 2.168 72 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.257 72 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.257 72 G C -0.155 174.728 174.900 -0.027 0.000 0.997 72 G CA 0.227 45.300 45.100 -0.045 0.000 0.708 72 G HN 0.187 8.477 8.290 0.000 0.000 0.520 73 K N 0.222 120.613 120.400 -0.015 0.000 2.118 73 K HA 0.513 4.833 4.320 -0.001 0.000 0.254 73 K C -2.484 174.154 176.600 0.063 0.000 0.961 73 K CA -2.287 54.018 56.287 0.029 0.000 0.876 73 K CB 1.345 33.877 32.500 0.054 0.000 1.077 73 K HN -0.038 8.212 8.250 0.000 0.000 0.440 74 P HA -0.030 4.390 4.420 0.000 0.000 0.267 74 P C -0.996 176.471 177.300 0.278 0.000 1.200 74 P CA 0.156 63.344 63.100 0.146 0.000 0.772 74 P CB 0.181 31.936 31.700 0.091 0.000 0.855 75 Y N 3.278 123.708 120.300 0.216 0.000 2.376 75 Y HA 0.388 4.937 4.550 -0.001 0.000 0.326 75 Y C -1.137 174.894 175.900 0.218 0.000 0.970 75 Y CA -1.203 57.043 58.100 0.242 0.000 1.248 75 Y CB 0.814 39.508 38.460 0.390 0.000 1.117 75 Y HN 0.009 8.289 8.280 0.000 0.000 0.476 76 V N 7.867 127.748 119.914 -0.055 0.000 2.389 76 V HA 0.155 4.275 4.120 -0.001 0.000 0.264 76 V C -0.040 175.783 176.094 -0.452 0.000 1.049 76 V CA -0.668 61.527 62.300 -0.175 0.000 0.932 76 V CB 0.417 32.218 31.823 -0.035 0.000 1.011 76 V HN 0.570 8.761 8.190 0.000 0.000 0.475 77 L N 8.933 129.838 121.223 -0.531 0.000 2.499 77 L HA 0.140 4.479 4.340 -0.001 0.000 0.273 77 L C -1.187 175.588 176.870 -0.159 0.000 1.195 77 L CA -0.609 53.949 54.840 -0.470 0.000 0.882 77 L CB 0.069 42.021 42.059 -0.179 0.000 1.133 77 L HN 0.401 8.631 8.230 0.000 0.000 0.483 78 P HA -0.154 4.266 4.420 0.000 0.000 0.218 78 P C 1.468 178.784 177.300 0.027 0.000 1.148 78 P CA 1.362 64.472 63.100 0.016 0.000 0.822 78 P CB 0.163 31.904 31.700 0.069 0.000 0.784 79 S N -1.435 114.299 115.700 0.057 0.000 2.399 79 S HA -0.111 4.358 4.470 -0.001 0.000 0.231 79 S C 1.970 176.578 174.600 0.013 0.000 1.022 79 S CA 1.240 59.483 58.200 0.071 0.000 0.983 79 S CB -1.691 61.612 63.200 0.171 0.000 0.803 79 S HN -0.033 8.277 8.310 0.000 0.000 0.480 80 V N 2.308 122.213 119.914 -0.015 0.000 2.358 80 V HA -0.080 4.039 4.120 -0.001 0.000 0.246 80 V C 2.996 179.064 176.094 -0.043 0.000 1.047 80 V CA 1.576 63.843 62.300 -0.054 0.000 1.035 80 V CB -0.670 31.111 31.823 -0.071 0.000 0.658 80 V HN 0.414 8.604 8.190 0.000 0.000 0.452 81 R N 0.262 120.744 120.500 -0.030 0.000 2.096 81 R HA -0.167 4.173 4.340 -0.001 0.000 0.235 81 R C 2.256 178.549 176.300 -0.012 0.000 1.127 81 R CA 1.521 57.610 56.100 -0.018 0.000 0.968 81 R CB -0.530 29.765 30.300 -0.007 0.000 0.861 81 R HN 0.483 8.753 8.270 0.000 0.000 0.440 82 K N 0.663 121.061 120.400 -0.004 0.000 1.991 82 K HA -0.116 4.204 4.320 -0.001 0.000 0.212 82 K C 2.063 178.655 176.600 -0.014 0.000 1.049 82 K CA 1.710 57.997 56.287 -0.001 0.000 0.932 82 K CB -0.271 32.236 32.500 0.012 0.000 0.717 82 K HN 0.122 8.372 8.250 0.000 0.000 0.441 83 A N 1.095 123.900 122.820 -0.025 0.000 1.917 83 A HA -0.265 4.055 4.320 -0.001 0.000 0.219 83 A C 1.945 179.502 177.584 -0.045 0.000 1.182 83 A CA 2.065 54.077 52.037 -0.042 0.000 0.633 83 A CB -0.640 18.319 19.000 -0.068 0.000 0.819 83 A HN 0.527 8.677 8.150 0.000 0.000 0.448 84 E N -0.527 119.646 120.200 -0.044 0.000 2.077 84 E HA -0.138 4.212 4.350 -0.001 0.000 0.193 84 E C 2.383 178.965 176.600 -0.030 0.000 0.989 84 E CA 0.961 57.337 56.400 -0.041 0.000 0.800 84 E CB -0.301 29.378 29.700 -0.037 0.000 0.746 84 E HN 0.640 9.000 8.360 0.000 0.000 0.452 85 A N 1.275 124.082 122.820 -0.021 0.000 1.902 85 A HA -0.262 4.058 4.320 -0.001 0.000 0.217 85 A C 2.049 179.624 177.584 -0.016 0.000 1.181 85 A CA 1.472 53.500 52.037 -0.015 0.000 0.623 85 A CB -0.456 18.539 19.000 -0.008 0.000 0.818 85 A HN 0.196 8.346 8.150 0.000 0.000 0.443 86 Q N -0.719 119.070 119.800 -0.018 0.000 2.079 86 Q HA -0.092 4.247 4.340 -0.001 0.000 0.200 86 Q C 2.024 178.011 176.000 -0.022 0.000 0.974 86 Q CA 1.481 57.273 55.803 -0.018 0.000 0.840 86 Q CB -0.293 28.434 28.738 -0.017 0.000 0.898 86 Q HN 0.743 9.013 8.270 0.000 0.000 0.430 87 I N 0.604 121.156 120.570 -0.030 0.000 2.202 87 I HA -0.268 3.902 4.170 -0.001 0.000 0.242 87 I C 2.438 178.537 176.117 -0.030 0.000 1.091 87 I CA 0.976 62.255 61.300 -0.034 0.000 1.368 87 I CB -0.395 37.577 38.000 -0.046 0.000 1.058 87 I HN 0.148 8.358 8.210 0.000 0.000 0.410 88 A N 0.740 123.543 122.820 -0.028 0.000 1.917 88 A HA -0.244 4.076 4.320 -0.001 0.000 0.219 88 A C 2.514 180.086 177.584 -0.019 0.000 1.182 88 A CA 2.092 54.115 52.037 -0.023 0.000 0.633 88 A CB -0.987 18.001 19.000 -0.021 0.000 0.819 88 A HN 0.448 8.598 8.150 0.000 0.000 0.448 89 A N -0.442 122.368 122.820 -0.017 0.000 1.972 89 A HA -0.140 4.180 4.320 -0.001 0.000 0.219 89 A C 2.024 179.600 177.584 -0.014 0.000 1.169 89 A CA 1.683 53.712 52.037 -0.013 0.000 0.635 89 A CB -0.379 18.615 19.000 -0.011 0.000 0.810 89 A HN 0.567 8.717 8.150 0.000 0.000 0.446 90 K N -0.735 119.655 120.400 -0.017 0.000 2.432 90 K HA -0.039 4.281 4.320 -0.001 0.000 0.196 90 K C 0.215 176.804 176.600 -0.018 0.000 1.038 90 K CA 0.469 56.746 56.287 -0.016 0.000 0.986 90 K CB -0.189 32.300 32.500 -0.018 0.000 0.782 90 K HN 0.646 8.896 8.250 0.000 0.000 0.485 91 N N 1.273 119.962 118.700 -0.019 0.000 2.708 91 N HA -0.177 4.562 4.740 -0.001 0.000 0.255 91 N C -1.032 174.465 175.510 -0.023 0.000 1.046 91 N CA -0.135 52.903 53.050 -0.020 0.000 0.715 91 N CB -0.902 37.575 38.487 -0.017 0.000 0.895 91 N HN 0.127 8.507 8.380 0.000 0.000 0.545 92 L N 1.062 122.270 121.223 -0.027 0.000 2.399 92 L HA 0.274 4.613 4.340 -0.001 0.000 0.266 92 L C 0.980 177.830 176.870 -0.033 0.000 1.114 92 L CA -0.790 54.033 54.840 -0.028 0.000 0.804 92 L CB 0.684 42.724 42.059 -0.032 0.000 1.146 92 L HN 0.360 8.590 8.230 0.000 0.000 0.451 93 D N 0.532 120.912 120.400 -0.033 0.000 2.384 93 D HA 0.044 4.683 4.640 -0.001 0.000 0.244 93 D C -0.315 175.955 176.300 -0.051 0.000 1.251 93 D CA -0.192 53.783 54.000 -0.041 0.000 0.961 93 D CB 0.592 41.368 40.800 -0.040 0.000 1.116 93 D HN 0.332 8.702 8.370 0.000 0.000 0.484 94 K N -0.364 119.996 120.400 -0.066 0.000 2.699 94 K HA 0.126 4.445 4.320 -0.001 0.000 0.210 94 K C -0.290 176.241 176.600 -0.116 0.000 1.076 94 K CA -0.506 55.732 56.287 -0.080 0.000 1.109 94 K CB 0.464 32.916 32.500 -0.080 0.000 0.862 94 K HN 0.344 8.594 8.250 0.000 0.000 0.470 95 E N 0.317 120.457 120.200 -0.100 0.000 2.391 95 E HA 0.044 4.394 4.350 -0.001 0.000 0.255 95 E C -0.118 176.437 176.600 -0.075 0.000 1.187 95 E CA -0.038 56.283 56.400 -0.131 0.000 0.941 95 E CB 0.339 30.000 29.700 -0.064 0.000 1.010 95 E HN 0.030 8.390 8.360 0.000 0.000 0.458 96 Y N 0.271 120.570 120.300 -0.002 0.000 2.497 96 Y HA 0.011 4.561 4.550 -0.001 0.000 0.334 96 Y C 0.960 176.862 175.900 0.004 0.000 1.199 96 Y CA 0.214 58.317 58.100 0.004 0.000 1.425 96 Y CB 0.088 38.553 38.460 0.009 0.000 1.291 96 Y HN 0.202 8.482 8.280 0.000 0.000 0.562 97 L N 5.340 126.677 121.223 0.190 0.000 2.456 97 L HA 0.298 4.637 4.340 -0.001 0.000 0.257 97 L C -1.850 175.078 176.870 0.096 0.000 1.162 97 L CA -1.975 52.931 54.840 0.109 0.000 0.808 97 L CB 0.260 42.367 42.059 0.079 0.000 1.136 97 L HN 0.448 8.678 8.230 0.000 0.000 0.466 98 P HA 0.074 4.494 4.420 0.000 0.000 0.271 98 P C 0.931 178.254 177.300 0.038 0.000 1.244 98 P CA -0.158 62.966 63.100 0.040 0.000 0.793 98 P CB 0.567 32.287 31.700 0.034 0.000 0.984 99 I N 0.090 120.665 120.570 0.009 0.000 2.194 99 I HA -0.232 3.937 4.170 -0.001 0.000 0.246 99 I C 2.130 178.272 176.117 0.042 0.000 1.093 99 I CA 2.203 63.501 61.300 -0.004 0.000 1.355 99 I CB -0.951 37.026 38.000 -0.039 0.000 1.046 99 I HN 0.498 8.708 8.210 0.000 0.000 0.413 100 G N -0.224 108.607 108.800 0.051 0.000 2.985 100 G HA2 0.425 4.385 3.960 -0.001 0.000 0.209 100 G HA3 0.425 4.385 3.960 -0.001 0.000 0.209 100 G C 0.733 175.703 174.900 0.117 0.000 1.165 100 G CA 0.517 45.666 45.100 0.083 0.000 0.776 100 G HN 0.669 8.959 8.290 0.000 0.000 0.541 101 G N -0.601 108.262 108.800 0.105 0.000 2.500 101 G HA2 0.032 3.992 3.960 -0.001 0.000 0.209 101 G HA3 0.032 3.992 3.960 -0.001 0.000 0.209 101 G C -0.710 174.251 174.900 0.101 0.000 1.283 101 G CA -0.422 44.745 45.100 0.112 0.000 0.960 101 G HN 0.760 9.050 8.290 0.000 0.000 0.528 102 L N 1.596 122.883 121.223 0.106 0.000 2.433 102 L HA 0.614 4.953 4.340 -0.001 0.000 0.275 102 L C 2.004 178.959 176.870 0.142 0.000 1.128 102 L CA 1.460 56.359 54.840 0.099 0.000 0.875 102 L CB 0.575 42.668 42.059 0.057 0.000 1.171 102 L HN 1.650 9.880 8.230 0.000 0.000 0.463 103 A N 3.954 126.824 122.820 0.083 0.000 1.908 103 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 103 A C 2.046 179.664 177.584 0.058 0.000 1.181 103 A CA 1.706 53.779 52.037 0.061 0.000 0.627 103 A CB -0.539 18.481 19.000 0.032 0.000 0.818 103 A HN 0.897 9.047 8.150 0.000 0.000 0.445 104 E N -1.411 118.825 120.200 0.060 0.000 2.118 104 E HA -0.222 4.127 4.350 -0.001 0.000 0.195 104 E C 1.744 178.380 176.600 0.058 0.000 0.992 104 E CA 1.534 57.961 56.400 0.045 0.000 0.804 104 E CB -0.222 29.502 29.700 0.040 0.000 0.741 104 E HN 0.682 9.042 8.360 0.000 0.000 0.458 105 F N 0.497 120.412 119.950 -0.059 0.000 2.163 105 F HA -0.154 4.372 4.527 -0.001 0.000 0.297 105 F C 2.233 178.000 175.800 -0.056 0.000 1.094 105 F CA 1.154 59.096 58.000 -0.096 0.000 1.290 105 F CB -0.531 38.389 39.000 -0.135 0.000 1.017 105 F HN 0.087 8.387 8.300 0.000 0.000 0.483 106 C N 1.222 120.427 119.300 -0.159 0.000 2.413 106 C HA -0.173 4.286 4.460 -0.001 0.000 0.276 106 C C 2.791 177.678 174.990 -0.171 0.000 1.248 106 C CA 1.539 60.423 59.018 -0.222 0.000 1.742 106 C CB -1.225 26.523 27.740 0.013 0.000 2.017 106 C HN 0.554 8.784 8.230 0.000 0.000 0.481 107 K N 1.121 121.481 120.400 -0.066 0.000 2.025 107 K HA -0.114 4.205 4.320 -0.001 0.000 0.207 107 K C 2.171 178.714 176.600 -0.095 0.000 1.049 107 K CA 1.587 57.872 56.287 -0.003 0.000 0.933 107 K CB -0.334 32.185 32.500 0.031 0.000 0.714 107 K HN 0.388 8.638 8.250 0.000 0.000 0.438 108 A N 0.412 123.150 122.820 -0.136 0.000 1.933 108 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 108 A C 2.172 179.640 177.584 -0.192 0.000 1.175 108 A CA 2.112 54.067 52.037 -0.137 0.000 0.628 108 A CB -0.828 18.106 19.000 -0.110 0.000 0.814 108 A HN 0.447 8.597 8.150 0.000 0.000 0.444 109 S N -0.455 115.023 115.700 -0.370 0.000 2.368 109 S HA -0.030 4.439 4.470 -0.001 0.000 0.225 109 S C 2.167 176.638 174.600 -0.215 0.000 1.030 109 S CA 1.522 59.523 58.200 -0.331 0.000 0.999 109 S CB -0.446 62.328 63.200 -0.709 0.000 0.844 109 S HN 0.809 9.119 8.310 0.000 0.000 0.459 110 A N 0.820 123.492 122.820 -0.246 0.000 1.969 110 A HA -0.050 4.270 4.320 -0.001 0.000 0.218 110 A C 1.946 179.346 177.584 -0.307 0.000 1.169 110 A CA 1.568 53.415 52.037 -0.316 0.000 0.635 110 A CB -0.613 18.106 19.000 -0.468 0.000 0.810 110 A HN 0.695 8.845 8.150 0.000 0.000 0.445 111 E N -0.781 119.286 120.200 -0.221 0.000 2.106 111 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 111 E C 1.906 178.440 176.600 -0.109 0.000 0.984 111 E CA 1.035 57.339 56.400 -0.161 0.000 0.806 111 E CB -0.209 29.430 29.700 -0.102 0.000 0.750 111 E HN 0.528 8.888 8.360 0.000 0.000 0.458 112 L N 0.990 122.168 121.223 -0.074 0.000 1.994 112 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 112 L C 2.220 179.050 176.870 -0.068 0.000 1.071 112 L CA 2.141 56.975 54.840 -0.010 0.000 0.745 112 L CB -0.629 41.478 42.059 0.080 0.000 0.892 112 L HN 0.046 8.276 8.230 0.000 0.000 0.431 113 A N -0.820 121.923 122.820 -0.128 0.000 1.902 113 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 113 A C 2.141 179.607 177.584 -0.198 0.000 1.181 113 A CA 2.108 54.041 52.037 -0.173 0.000 0.623 113 A CB -0.680 18.191 19.000 -0.215 0.000 0.818 113 A HN 0.516 8.666 8.150 0.000 0.000 0.443 114 L N -1.970 119.124 121.223 -0.216 0.000 2.609 114 L HA 0.356 4.696 4.340 -0.001 0.000 0.230 114 L C 0.999 177.765 176.870 -0.173 0.000 1.087 114 L CA 0.330 55.033 54.840 -0.228 0.000 0.874 114 L CB -0.356 41.528 42.059 -0.292 0.000 1.114 114 L HN 0.585 8.815 8.230 0.000 0.000 0.488 115 G N 1.588 110.305 108.800 -0.137 0.000 3.039 115 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.686 115 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.686 115 G C 0.463 175.304 174.900 -0.098 0.000 1.066 115 G CA -0.052 44.992 45.100 -0.093 0.000 0.774 115 G HN 0.464 8.754 8.290 0.000 0.000 0.591 116 E N 0.999 121.158 120.200 -0.068 0.000 2.171 116 E HA -0.174 4.175 4.350 -0.001 0.000 0.197 116 E C 1.388 177.952 176.600 -0.060 0.000 0.997 116 E CA 1.417 57.779 56.400 -0.063 0.000 0.810 116 E CB -0.014 29.665 29.700 -0.035 0.000 0.738 116 E HN 0.407 8.767 8.360 0.000 0.000 0.467 117 N N 1.251 119.919 118.700 -0.052 0.000 2.320 117 N HA 0.017 4.757 4.740 -0.001 0.000 0.237 117 N C -0.356 175.119 175.510 -0.059 0.000 1.129 117 N CA -0.073 52.950 53.050 -0.045 0.000 0.854 117 N CB -0.009 38.461 38.487 -0.029 0.000 1.083 117 N HN 0.156 8.536 8.380 0.000 0.000 0.504 118 N N 2.151 120.798 118.700 -0.088 0.000 2.454 118 N HA -0.105 4.634 4.740 -0.001 0.000 0.254 118 N C 1.219 176.680 175.510 -0.082 0.000 1.228 118 N CA 0.304 53.292 53.050 -0.103 0.000 0.900 118 N CB 1.166 39.561 38.487 -0.154 0.000 1.089 118 N HN 0.198 8.578 8.380 0.000 0.000 0.449 119 E N 3.601 123.761 120.200 -0.067 0.000 2.153 119 E HA -0.126 4.223 4.350 -0.001 0.000 0.194 119 E C 1.245 177.829 176.600 -0.028 0.000 0.988 119 E CA 1.131 57.507 56.400 -0.042 0.000 0.811 119 E CB -0.046 29.629 29.700 -0.041 0.000 0.746 119 E HN 0.496 8.856 8.360 0.000 0.000 0.466 120 V N 1.620 121.502 119.914 -0.053 0.000 2.332 120 V HA -0.270 3.849 4.120 -0.001 0.000 0.248 120 V C 2.690 178.809 176.094 0.042 0.000 1.055 120 V CA 1.700 63.988 62.300 -0.020 0.000 1.038 120 V CB -0.492 31.274 31.823 -0.094 0.000 0.651 120 V HN 0.277 8.467 8.190 0.000 0.000 0.450 121 L N -0.802 120.370 121.223 -0.084 0.000 2.072 121 L HA -0.133 4.207 4.340 -0.001 0.000 0.205 121 L C 2.566 179.496 176.870 0.100 0.000 1.079 121 L CA 1.533 56.355 54.840 -0.030 0.000 0.752 121 L CB -0.646 41.300 42.059 -0.189 0.000 0.906 121 L HN 0.261 8.491 8.230 0.000 0.000 0.436 122 K N 0.224 120.642 120.400 0.030 0.000 2.097 122 K HA -0.131 4.188 4.320 -0.001 0.000 0.206 122 K C 2.223 178.851 176.600 0.047 0.000 1.049 122 K CA 1.745 58.051 56.287 0.032 0.000 0.933 122 K CB -0.168 32.335 32.500 0.005 0.000 0.717 122 K HN 0.336 8.586 8.250 0.000 0.000 0.442 123 S N -0.483 115.248 115.700 0.052 0.000 2.562 123 S HA 0.063 4.532 4.470 -0.001 0.000 0.221 123 S C 1.384 176.021 174.600 0.060 0.000 0.975 123 S CA 0.474 58.702 58.200 0.045 0.000 0.918 123 S CB 0.155 63.374 63.200 0.032 0.000 0.772 123 S HN 0.434 8.744 8.310 0.000 0.000 0.531 124 G N 2.775 111.653 108.800 0.129 0.000 2.160 124 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.251 124 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.251 124 G C 0.322 175.230 174.900 0.014 0.000 1.008 124 G CA 0.202 45.347 45.100 0.076 0.000 0.724 124 G HN 0.876 9.166 8.290 0.000 0.000 0.514 125 R N -0.641 119.949 120.500 0.150 0.000 4.263 125 R HA 0.560 4.900 4.340 -0.001 0.000 0.248 125 R C 0.229 176.625 176.300 0.159 0.000 1.796 125 R CA -0.001 56.151 56.100 0.087 0.000 1.518 125 R CB -0.551 29.789 30.300 0.066 0.000 1.342 125 R HN 0.904 9.174 8.270 0.000 0.000 0.706 126 F N -2.746 117.166 119.950 -0.062 0.000 2.713 126 F HA 0.639 5.165 4.527 -0.000 0.000 0.311 126 F C -1.893 173.854 175.800 -0.087 0.000 1.141 126 F CA -1.645 56.303 58.000 -0.087 0.000 0.939 126 F CB 1.336 40.271 39.000 -0.108 0.000 1.325 126 F HN -0.192 8.108 8.300 0.000 0.000 0.453 127 V N 1.187 121.028 119.914 -0.123 0.000 2.709 127 V HA 0.790 4.909 4.120 -0.001 0.000 0.308 127 V C -1.291 174.823 176.094 0.034 0.000 1.062 127 V CA -0.084 62.096 62.300 -0.200 0.000 0.901 127 V CB 2.169 33.888 31.823 -0.175 0.000 1.003 127 V HN 1.054 9.244 8.190 0.000 0.000 0.425 128 T N 6.164 120.761 114.554 0.071 0.000 2.809 128 T HA 0.600 4.949 4.350 -0.001 0.000 0.284 128 T C -0.602 174.141 174.700 0.072 0.000 0.992 128 T CA -0.346 61.809 62.100 0.091 0.000 0.957 128 T CB 1.352 70.309 68.868 0.147 0.000 0.942 128 T HN 1.030 9.270 8.240 0.000 0.000 0.439 129 V N 1.916 121.900 119.914 0.116 0.000 2.581 129 V HA 0.621 4.740 4.120 -0.001 0.000 0.303 129 V C -0.002 176.228 176.094 0.227 0.000 1.041 129 V CA -1.188 61.206 62.300 0.157 0.000 0.907 129 V CB 1.686 33.605 31.823 0.160 0.000 0.994 129 V HN 0.898 9.088 8.190 0.000 0.000 0.442 130 Q N 2.487 122.446 119.800 0.265 0.000 2.352 130 Q HA 0.533 4.872 4.340 -0.001 0.000 0.260 130 Q C 0.045 176.196 176.000 0.251 0.000 0.976 130 Q CA 0.323 56.331 55.803 0.342 0.000 0.881 130 Q CB 1.063 29.976 28.738 0.291 0.000 1.235 130 Q HN 1.153 9.423 8.270 0.000 0.000 0.419 131 T N -0.093 114.590 114.554 0.215 0.000 2.804 131 T HA 0.447 4.797 4.350 -0.001 0.000 0.290 131 T C 0.079 174.787 174.700 0.013 0.000 1.099 131 T CA -0.949 61.244 62.100 0.154 0.000 1.011 131 T CB 0.623 69.601 68.868 0.184 0.000 1.291 131 T HN 0.486 8.726 8.240 0.000 0.000 0.523 132 I N 2.122 122.637 120.570 -0.091 0.000 2.270 132 I HA 0.314 4.484 4.170 -0.001 0.000 0.294 132 I C 1.151 177.241 176.117 -0.045 0.000 1.164 132 I CA 0.520 61.726 61.300 -0.156 0.000 1.680 132 I CB -1.823 36.001 38.000 -0.294 0.000 1.494 132 I HN 0.966 9.176 8.210 0.000 0.000 0.767 133 S N 3.165 118.861 115.700 -0.007 0.000 3.569 133 S HA -0.178 4.291 4.470 -0.001 0.000 0.635 133 S C 1.560 176.192 174.600 0.054 0.000 2.396 133 S CA 0.795 59.011 58.200 0.026 0.000 2.612 133 S CB -1.042 62.155 63.200 -0.005 0.000 0.331 133 S HN 0.758 9.068 8.310 0.000 0.000 1.764 134 G N -0.164 108.642 108.800 0.011 0.000 2.408 134 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.217 134 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.217 134 G C 1.354 176.307 174.900 0.089 0.000 1.150 134 G CA 1.750 46.858 45.100 0.013 0.000 0.776 134 G HN 0.819 9.109 8.290 0.000 0.000 0.542 135 T N 1.138 115.759 114.554 0.110 0.000 2.674 135 T HA -0.042 4.307 4.350 -0.001 0.000 0.265 135 T C 2.544 177.315 174.700 0.118 0.000 1.039 135 T CA 1.419 63.637 62.100 0.196 0.000 1.150 135 T CB -0.797 68.202 68.868 0.219 0.000 0.864 135 T HN 0.334 8.573 8.240 0.000 0.000 0.427 136 G N 1.382 110.225 108.800 0.072 0.000 2.505 136 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.220 136 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.220 136 G C 1.816 176.762 174.900 0.077 0.000 1.145 136 G CA 1.159 46.292 45.100 0.054 0.000 0.761 136 G HN 0.614 8.904 8.290 0.000 0.000 0.571 137 A N 0.308 123.194 122.820 0.110 0.000 1.898 137 A HA 0.165 4.485 4.320 -0.001 0.000 0.216 137 A C 2.470 180.095 177.584 0.068 0.000 1.181 137 A CA 1.291 53.413 52.037 0.140 0.000 0.620 137 A CB -0.374 18.783 19.000 0.261 0.000 0.819 137 A HN 0.357 8.507 8.150 0.000 0.000 0.442 138 L N -1.076 120.243 121.223 0.159 0.000 2.012 138 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 138 L C 2.772 179.600 176.870 -0.070 0.000 1.073 138 L CA 1.772 56.721 54.840 0.182 0.000 0.748 138 L CB -0.404 41.793 42.059 0.229 0.000 0.891 138 L HN 0.330 8.560 8.230 0.000 0.000 0.431 139 R N -0.030 120.424 120.500 -0.077 0.000 2.081 139 R HA -0.107 4.232 4.340 -0.001 0.000 0.235 139 R C 2.039 178.267 176.300 -0.120 0.000 1.131 139 R CA 1.539 57.565 56.100 -0.124 0.000 0.960 139 R CB -0.916 29.358 30.300 -0.043 0.000 0.856 139 R HN 0.127 8.397 8.270 0.000 0.000 0.436 140 V N -0.076 119.760 119.914 -0.130 0.000 2.295 140 V HA -0.136 3.983 4.120 -0.001 0.000 0.246 140 V C 2.222 178.112 176.094 -0.340 0.000 1.049 140 V CA 2.156 64.346 62.300 -0.184 0.000 1.024 140 V CB -1.031 30.696 31.823 -0.159 0.000 0.648 140 V HN 0.623 8.813 8.190 0.000 0.000 0.447 141 G N -0.647 107.737 108.800 -0.692 0.000 2.418 141 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.217 141 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.217 141 G C 1.800 176.809 174.900 0.180 0.000 1.158 141 G CA 1.057 45.833 45.100 -0.541 0.000 0.771 141 G HN 0.604 8.894 8.290 0.000 0.000 0.545 142 A N 1.415 124.261 122.820 0.044 0.000 1.873 142 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 142 A C 2.786 180.416 177.584 0.077 0.000 1.193 142 A CA 3.120 55.150 52.037 -0.012 0.000 0.629 142 A CB -1.044 17.681 19.000 -0.459 0.000 0.826 142 A HN 0.890 9.040 8.150 0.000 0.000 0.447 143 S N -1.497 114.221 115.700 0.030 0.000 2.399 143 S HA -0.174 4.296 4.470 -0.001 0.000 0.231 143 S C 1.844 176.532 174.600 0.147 0.000 1.022 143 S CA 1.528 59.762 58.200 0.056 0.000 0.983 143 S CB -0.677 62.541 63.200 0.031 0.000 0.803 143 S HN 0.592 8.902 8.310 0.000 0.000 0.480 144 F N 2.031 122.038 119.950 0.094 0.000 2.259 144 F HA 0.216 4.742 4.527 -0.001 0.000 0.298 144 F C 1.866 177.847 175.800 0.302 0.000 1.088 144 F CA 0.848 58.999 58.000 0.253 0.000 1.358 144 F CB -0.184 38.968 39.000 0.253 0.000 1.040 144 F HN 0.147 8.447 8.300 0.000 0.000 0.505 145 L N 0.043 121.475 121.223 0.347 0.000 2.017 145 L HA -0.234 4.105 4.340 -0.001 0.000 0.208 145 L C 2.697 179.642 176.870 0.125 0.000 1.073 145 L CA 1.547 56.530 54.840 0.238 0.000 0.745 145 L CB -1.045 41.144 42.059 0.217 0.000 0.894 145 L HN 0.220 8.450 8.230 0.000 0.000 0.432 146 Q N 0.888 120.734 119.800 0.078 0.000 2.096 146 Q HA -0.270 4.069 4.340 -0.001 0.000 0.204 146 Q C 2.274 178.201 176.000 -0.122 0.000 0.982 146 Q CA 1.898 57.705 55.803 0.007 0.000 0.850 146 Q CB -0.104 28.635 28.738 0.001 0.000 0.901 146 Q HN 0.405 8.675 8.270 0.000 0.000 0.422 147 R N -1.546 118.803 120.500 -0.252 0.000 2.075 147 R HA -0.049 4.290 4.340 -0.001 0.000 0.226 147 R C 1.631 177.423 176.300 -0.846 0.000 1.114 147 R CA 1.371 57.104 56.100 -0.612 0.000 0.972 147 R CB 0.047 29.830 30.300 -0.861 0.000 0.869 147 R HN 0.220 8.490 8.270 0.000 0.000 0.437 148 F N -2.003 117.748 119.950 -0.331 0.000 2.727 148 F HA 0.204 4.730 4.527 -0.002 0.000 0.302 148 F C 0.304 175.991 175.800 -0.188 0.000 1.107 148 F CA -0.514 57.275 58.000 -0.352 0.000 1.277 148 F CB 0.299 38.894 39.000 -0.675 0.000 1.079 148 F HN -0.138 8.162 8.300 0.000 0.000 0.594 149 F N 3.659 123.560 119.950 -0.081 0.000 2.605 149 F HA 0.179 4.705 4.527 -0.001 0.000 0.352 149 F C 1.618 177.365 175.800 -0.088 0.000 1.236 149 F CA -0.905 57.099 58.000 0.006 0.000 1.267 149 F CB -0.303 38.727 39.000 0.051 0.000 1.632 149 F HN -0.033 8.267 8.300 0.000 0.000 0.639 150 K N 0.952 121.024 120.400 -0.547 0.000 2.147 150 K HA -0.201 4.118 4.320 -0.001 0.000 0.205 150 K C 1.463 177.756 176.600 -0.512 0.000 1.049 150 K CA 1.673 57.637 56.287 -0.538 0.000 0.936 150 K CB -0.603 31.519 32.500 -0.630 0.000 0.722 150 K HN 0.388 8.638 8.250 0.000 0.000 0.446 151 F N 1.562 121.225 119.950 -0.478 0.000 2.192 151 F HA -0.115 4.412 4.527 -0.000 0.000 0.301 151 F C 1.331 177.074 175.800 -0.095 0.000 1.079 151 F CA 0.709 58.489 58.000 -0.368 0.000 1.303 151 F CB -0.362 38.268 39.000 -0.617 0.000 1.024 151 F HN 0.120 8.420 8.300 0.000 0.000 0.494 152 S N -1.639 114.189 115.700 0.215 0.000 2.578 152 S HA 0.410 4.879 4.470 -0.001 0.000 0.272 152 S C 0.157 174.943 174.600 0.310 0.000 1.145 152 S CA -0.954 57.427 58.200 0.302 0.000 0.835 152 S CB 1.133 64.579 63.200 0.410 0.000 1.104 152 S HN -0.018 8.292 8.310 0.000 0.000 0.458 153 R N 1.004 121.619 120.500 0.192 0.000 2.312 153 R HA 0.255 4.594 4.340 -0.001 0.000 0.205 153 R C -0.778 175.584 176.300 0.103 0.000 0.904 153 R CA 0.039 56.220 56.100 0.135 0.000 1.052 153 R CB -0.419 29.926 30.300 0.075 0.000 1.014 153 R HN 0.530 8.800 8.270 0.000 0.000 0.503 154 D N 1.146 121.630 120.400 0.141 0.000 2.295 154 D HA 0.158 4.797 4.640 -0.001 0.000 0.248 154 D C -0.470 175.865 176.300 0.058 0.000 1.154 154 D CA -0.085 53.960 54.000 0.075 0.000 0.857 154 D CB 2.196 43.115 40.800 0.197 0.000 1.117 154 D HN -0.281 8.089 8.370 0.000 0.000 0.468 155 V N 4.018 123.848 119.914 -0.141 0.000 2.357 155 V HA 0.268 4.387 4.120 -0.001 0.000 0.284 155 V C -0.281 175.670 176.094 -0.239 0.000 1.018 155 V CA -0.792 61.359 62.300 -0.248 0.000 0.841 155 V CB 0.651 32.067 31.823 -0.679 0.000 0.991 155 V HN 0.310 8.500 8.190 0.000 0.000 0.437 156 F N 5.484 125.372 119.950 -0.103 0.000 2.413 156 F HA 0.471 4.998 4.527 -0.001 0.000 0.359 156 F C 0.381 176.266 175.800 0.141 0.000 1.122 156 F CA -0.291 57.750 58.000 0.068 0.000 1.160 156 F CB 0.718 39.806 39.000 0.145 0.000 1.146 156 F HN 0.233 8.533 8.300 0.000 0.000 0.514 157 L N 6.393 127.704 121.223 0.146 0.000 2.357 157 L HA 0.434 4.773 4.340 -0.001 0.000 0.273 157 L C -2.033 174.744 176.870 -0.154 0.000 1.080 157 L CA -2.126 52.764 54.840 0.084 0.000 0.803 157 L CB 1.106 43.168 42.059 0.006 0.000 1.174 157 L HN 0.326 8.556 8.230 0.000 0.000 0.443 158 P HA 0.090 4.510 4.420 0.000 0.000 0.272 158 P C -1.391 175.704 177.300 -0.342 0.000 1.223 158 P CA -0.401 62.137 63.100 -0.937 0.000 0.784 158 P CB 0.660 31.881 31.700 -0.798 0.000 0.923 159 K N 3.422 123.692 120.400 -0.218 0.000 2.292 159 K HA 0.384 4.704 4.320 -0.001 0.000 0.270 159 K C -2.052 174.600 176.600 0.087 0.000 1.062 159 K CA -1.652 54.626 56.287 -0.016 0.000 0.916 159 K CB 0.996 33.516 32.500 0.033 0.000 1.166 159 K HN 0.426 8.676 8.250 0.000 0.000 0.458 160 P HA 0.269 4.689 4.420 0.000 0.000 0.301 160 P C -0.593 176.728 177.300 0.036 0.000 1.309 160 P CA -0.637 62.473 63.100 0.017 0.000 0.782 160 P CB 1.504 33.201 31.700 -0.005 0.000 1.282 161 S N -1.990 113.739 115.700 0.048 0.000 2.740 161 S HA 0.496 4.965 4.470 -0.001 0.000 0.300 161 S C -1.592 173.074 174.600 0.111 0.000 1.147 161 S CA -0.662 57.618 58.200 0.133 0.000 0.871 161 S CB 0.135 63.557 63.200 0.369 0.000 1.173 161 S HN 0.420 8.730 8.310 0.000 0.000 0.510 162 W N 2.233 123.479 121.300 -0.090 0.000 2.295 162 W HA 0.356 5.015 4.660 -0.001 0.000 0.335 162 W C 1.352 177.746 176.519 -0.208 0.000 1.351 162 W CA 0.292 57.473 57.345 -0.274 0.000 1.273 162 W CB -0.069 29.075 29.460 -0.527 0.000 1.214 162 W HN 0.804 8.984 8.180 0.000 0.000 0.563 163 G N 3.644 112.132 108.800 -0.520 0.000 2.450 163 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.220 163 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.220 163 G C 1.363 175.930 174.900 -0.554 0.000 1.130 163 G CA 1.178 46.012 45.100 -0.443 0.000 0.760 163 G HN 0.559 8.849 8.290 0.000 0.000 0.557 164 N N -0.010 118.026 118.700 -1.106 0.000 2.409 164 N HA -0.008 4.732 4.740 -0.001 0.000 0.179 164 N C 1.765 177.043 175.510 -0.386 0.000 1.032 164 N CA 0.514 53.020 53.050 -0.907 0.000 0.898 164 N CB -0.397 37.160 38.487 -1.550 0.000 0.971 164 N HN 0.602 8.982 8.380 0.000 0.000 0.441 165 H N -1.307 117.643 119.070 -0.201 0.000 2.394 165 H HA -0.126 4.430 4.556 -0.001 0.000 0.297 165 H C 1.461 176.891 175.328 0.169 0.000 1.113 165 H CA 1.732 57.874 56.048 0.157 0.000 1.277 165 H CB 0.170 30.092 29.762 0.265 0.000 1.370 165 H HN 0.204 8.484 8.280 0.000 0.000 0.506 166 T N 0.926 115.566 114.554 0.142 0.000 2.639 166 T HA -0.090 4.259 4.350 -0.001 0.000 0.261 166 T C -0.684 174.055 174.700 0.065 0.000 1.053 166 T CA 1.509 63.667 62.100 0.097 0.000 1.158 166 T CB -0.915 67.965 68.868 0.019 0.000 0.863 166 T HN 0.395 8.635 8.240 0.000 0.000 0.413 167 P HA 0.028 4.448 4.420 0.000 0.000 0.220 167 P C 1.492 178.772 177.300 -0.034 0.000 1.148 167 P CA 0.972 64.053 63.100 -0.031 0.000 0.803 167 P CB -0.291 31.366 31.700 -0.071 0.000 0.782 168 I N -1.581 118.957 120.570 -0.053 0.000 2.127 168 I HA -0.256 3.914 4.170 -0.001 0.000 0.241 168 I C 2.323 178.319 176.117 -0.202 0.000 1.075 168 I CA 1.660 62.879 61.300 -0.136 0.000 1.334 168 I CB -0.709 37.180 38.000 -0.185 0.000 1.040 168 I HN -0.176 8.034 8.210 0.000 0.000 0.405 169 F N 0.447 120.380 119.950 -0.027 0.000 2.259 169 F HA -0.118 4.409 4.527 -0.001 0.000 0.298 169 F C 2.692 178.468 175.800 -0.039 0.000 1.088 169 F CA 1.215 59.185 58.000 -0.050 0.000 1.358 169 F CB -0.442 38.505 39.000 -0.087 0.000 1.040 169 F HN -0.082 8.218 8.300 0.000 0.000 0.505 170 R N 0.666 121.237 120.500 0.119 0.000 2.062 170 R HA -0.126 4.213 4.340 -0.001 0.000 0.229 170 R C 1.677 177.991 176.300 0.022 0.000 1.128 170 R CA 1.962 58.097 56.100 0.058 0.000 0.960 170 R CB -0.396 29.924 30.300 0.032 0.000 0.855 170 R HN 0.047 8.317 8.270 0.000 0.000 0.432 171 D N 0.358 120.757 120.400 -0.001 0.000 2.218 171 D HA -0.096 4.544 4.640 -0.001 0.000 0.204 171 D C 1.448 177.737 176.300 -0.019 0.000 0.976 171 D CA 1.357 55.348 54.000 -0.015 0.000 0.853 171 D CB -0.110 40.673 40.800 -0.028 0.000 0.939 171 D HN 0.439 8.809 8.370 0.000 0.000 0.481 172 A N -0.321 122.483 122.820 -0.026 0.000 2.167 172 A HA 0.357 4.676 4.320 -0.001 0.000 0.214 172 A C 1.808 179.395 177.584 0.004 0.000 1.151 172 A CA 1.216 53.239 52.037 -0.024 0.000 0.735 172 A CB -0.191 18.775 19.000 -0.057 0.000 0.802 172 A HN 0.269 8.419 8.150 0.000 0.000 0.467 173 G N -2.256 106.555 108.800 0.019 0.000 2.134 173 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.209 173 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.209 173 G C 0.023 174.949 174.900 0.042 0.000 0.993 173 G CA 0.279 45.391 45.100 0.021 0.000 0.669 173 G HN 0.217 8.507 8.290 0.000 0.000 0.519 174 M N 0.032 119.680 119.600 0.081 0.000 2.368 174 M HA 0.525 5.004 4.480 -0.001 0.000 0.311 174 M C 0.493 176.823 176.300 0.049 0.000 1.168 174 M CA -0.639 54.715 55.300 0.089 0.000 1.044 174 M CB 0.926 33.622 32.600 0.160 0.000 1.506 174 M HN 0.060 8.350 8.290 0.000 0.000 0.475 175 Q N 1.244 121.051 119.800 0.012 0.000 2.230 175 Q HA 0.532 4.871 4.340 -0.001 0.000 0.248 175 Q C -0.820 175.122 176.000 -0.096 0.000 0.915 175 Q CA -0.495 55.290 55.803 -0.030 0.000 0.900 175 Q CB 1.356 30.075 28.738 -0.032 0.000 1.229 175 Q HN 0.430 8.700 8.270 0.000 0.000 0.439 176 L N 2.383 123.537 121.223 -0.114 0.000 2.322 176 L HA 0.439 4.779 4.340 -0.001 0.000 0.279 176 L C 0.266 176.966 176.870 -0.284 0.000 1.036 176 L CA -0.237 54.491 54.840 -0.187 0.000 0.807 176 L CB 1.279 43.273 42.059 -0.109 0.000 1.226 176 L HN 0.524 8.754 8.230 0.000 0.000 0.433 177 Q N 1.102 120.625 119.800 -0.461 0.000 2.587 177 Q HA 0.739 5.078 4.340 -0.001 0.000 0.293 177 Q C -0.314 175.481 176.000 -0.343 0.000 1.083 177 Q CA -0.757 54.683 55.803 -0.606 0.000 0.792 177 Q CB 2.524 30.318 28.738 -1.574 0.000 1.484 177 Q HN 0.762 9.032 8.270 0.000 0.000 0.446 178 G N 0.163 108.882 108.800 -0.136 0.000 2.498 178 G HA2 0.713 4.673 3.960 -0.001 0.000 0.312 178 G HA3 0.713 4.673 3.960 -0.001 0.000 0.312 178 G C -1.708 173.399 174.900 0.345 0.000 1.230 178 G CA -0.508 44.635 45.100 0.071 0.000 0.968 178 G HN 0.502 8.792 8.290 0.000 0.000 0.481 179 Y N -1.029 119.418 120.300 0.245 0.000 2.534 179 Y HA 0.735 5.285 4.550 -0.001 0.000 0.345 179 Y C 0.002 176.036 175.900 0.224 0.000 1.031 179 Y CA -1.634 56.615 58.100 0.250 0.000 1.022 179 Y CB 1.267 39.891 38.460 0.273 0.000 1.292 179 Y HN 0.543 8.823 8.280 0.000 0.000 0.459 180 R N 1.888 122.548 120.500 0.266 0.000 2.623 180 R HA 0.136 4.475 4.340 -0.001 0.000 0.271 180 R C -0.934 175.528 176.300 0.269 0.000 1.043 180 R CA 0.588 56.793 56.100 0.174 0.000 1.083 180 R CB 0.367 30.731 30.300 0.107 0.000 0.974 180 R HN 0.955 9.225 8.270 0.000 0.000 0.436 181 Y N 1.669 122.014 120.300 0.075 0.000 3.299 181 Y HA 0.076 4.626 4.550 -0.001 0.000 0.195 181 Y C -0.851 175.181 175.900 0.221 0.000 0.972 181 Y CA -0.273 57.935 58.100 0.179 0.000 1.633 181 Y CB 0.214 38.635 38.460 -0.064 0.000 1.465 181 Y HN 0.551 8.831 8.280 0.000 0.000 0.367 182 Y N 3.389 123.766 120.300 0.127 0.000 2.359 182 Y HA 0.332 4.882 4.550 -0.001 0.000 0.334 182 Y C -0.496 175.418 175.900 0.024 0.000 1.058 182 Y CA -0.818 57.303 58.100 0.035 0.000 1.244 182 Y CB 0.486 38.965 38.460 0.031 0.000 1.187 182 Y HN 0.114 8.394 8.280 0.000 0.000 0.510 183 D N 8.686 128.746 120.400 -0.567 0.000 2.380 183 D HA 0.232 4.871 4.640 -0.001 0.000 0.230 183 D C -2.001 173.836 176.300 -0.772 0.000 1.154 183 D CA -2.366 51.337 54.000 -0.496 0.000 0.859 183 D CB 1.694 42.299 40.800 -0.324 0.000 1.045 183 D HN 0.368 8.738 8.370 0.000 0.000 0.495 184 P HA -0.090 4.330 4.420 0.000 0.000 0.220 184 P C 0.997 178.183 177.300 -0.190 0.000 1.148 184 P CA 0.993 63.955 63.100 -0.230 0.000 0.803 184 P CB 0.492 32.218 31.700 0.044 0.000 0.782 185 K N -0.335 119.957 120.400 -0.180 0.000 2.009 185 K HA -0.105 4.214 4.320 -0.001 0.000 0.210 185 K C 1.993 178.486 176.600 -0.179 0.000 1.049 185 K CA 2.238 58.436 56.287 -0.149 0.000 0.929 185 K CB -1.076 31.353 32.500 -0.118 0.000 0.714 185 K HN 0.275 8.525 8.250 0.000 0.000 0.440 186 T N -2.134 112.295 114.554 -0.209 0.000 3.107 186 T HA 0.055 4.404 4.350 -0.001 0.000 0.249 186 T C 0.989 175.561 174.700 -0.213 0.000 1.096 186 T CA 0.098 62.091 62.100 -0.178 0.000 1.012 186 T CB -0.767 68.021 68.868 -0.134 0.000 0.977 186 T HN 0.298 8.538 8.240 0.000 0.000 0.527 187 C N 1.393 120.509 119.300 -0.305 0.000 4.092 187 C HA -0.024 4.436 4.460 -0.001 0.000 0.297 187 C C 1.554 176.522 174.990 -0.036 0.000 1.475 187 C CA 0.079 58.969 59.018 -0.214 0.000 2.043 187 C CB -2.475 25.095 27.740 -0.283 0.000 1.289 187 C HN 0.984 9.214 8.230 0.000 0.000 0.755 188 G N -2.034 106.667 108.800 -0.165 0.000 3.257 188 G HA2 0.652 4.612 3.960 -0.001 0.000 0.205 188 G HA3 0.652 4.612 3.960 -0.001 0.000 0.205 188 G C -0.940 173.937 174.900 -0.039 0.000 1.234 188 G CA -0.425 44.666 45.100 -0.014 0.000 0.918 188 G HN 0.188 8.478 8.290 0.000 0.000 0.602 189 F N 1.732 121.553 119.950 -0.215 0.000 2.420 189 F HA 0.416 4.942 4.527 -0.001 0.000 0.352 189 F C -0.026 175.645 175.800 -0.216 0.000 1.108 189 F CA -2.118 55.696 58.000 -0.310 0.000 1.162 189 F CB 1.470 40.276 39.000 -0.323 0.000 1.118 189 F HN 0.233 8.533 8.300 0.000 0.000 0.510 190 D N 6.374 126.534 120.400 -0.400 0.000 2.608 190 D HA -0.056 4.584 4.640 -0.001 0.000 0.224 190 D C 1.260 177.098 176.300 -0.769 0.000 1.123 190 D CA 0.014 53.749 54.000 -0.441 0.000 1.030 190 D CB -0.637 40.018 40.800 -0.241 0.000 1.093 190 D HN 0.485 8.855 8.370 0.000 0.000 0.497 191 F N 2.244 121.553 119.950 -1.069 0.000 2.091 191 F HA -0.246 4.280 4.527 -0.001 0.000 0.299 191 F C 2.329 177.815 175.800 -0.523 0.000 1.103 191 F CA 2.025 59.382 58.000 -1.070 0.000 1.228 191 F CB -0.538 38.102 39.000 -0.600 0.000 0.984 191 F HN 0.326 8.626 8.300 0.000 0.000 0.477 192 S N -0.595 114.832 115.700 -0.455 0.000 2.436 192 S HA 0.074 4.543 4.470 -0.001 0.000 0.228 192 S C 2.367 176.787 174.600 -0.301 0.000 1.014 192 S CA 0.537 58.476 58.200 -0.435 0.000 0.950 192 S CB -1.240 61.806 63.200 -0.256 0.000 0.784 192 S HN 0.422 8.732 8.310 0.000 0.000 0.504 193 G N 1.673 110.330 108.800 -0.237 0.000 2.418 193 G HA2 0.076 4.035 3.960 -0.001 0.000 0.217 193 G HA3 0.076 4.035 3.960 -0.001 0.000 0.217 193 G C 1.622 176.471 174.900 -0.085 0.000 1.158 193 G CA 0.753 45.775 45.100 -0.130 0.000 0.771 193 G HN 0.728 9.018 8.290 0.000 0.000 0.545 194 A N 0.426 123.169 122.820 -0.128 0.000 1.855 194 A HA 0.103 4.423 4.320 -0.001 0.000 0.215 194 A C 2.347 179.908 177.584 -0.039 0.000 1.191 194 A CA 1.535 53.610 52.037 0.065 0.000 0.613 194 A CB -0.607 18.474 19.000 0.135 0.000 0.829 194 A HN 0.336 8.486 8.150 0.000 0.000 0.442 195 L N 0.067 121.132 121.223 -0.263 0.000 2.079 195 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 195 L C 2.341 179.095 176.870 -0.193 0.000 1.081 195 L CA 2.313 56.977 54.840 -0.294 0.000 0.752 195 L CB -0.508 41.180 42.059 -0.618 0.000 0.896 195 L HN 0.605 8.835 8.230 0.000 0.000 0.433 196 E N -0.799 119.297 120.200 -0.173 0.000 2.047 196 E HA -0.226 4.123 4.350 -0.001 0.000 0.191 196 E C 1.643 178.207 176.600 -0.060 0.000 0.987 196 E CA 1.432 57.768 56.400 -0.107 0.000 0.799 196 E CB 0.074 29.719 29.700 -0.091 0.000 0.752 196 E HN 0.506 8.866 8.360 0.000 0.000 0.449 197 D N 0.447 120.836 120.400 -0.019 0.000 2.117 197 D HA -0.137 4.502 4.640 -0.001 0.000 0.197 197 D C 1.975 178.243 176.300 -0.054 0.000 0.987 197 D CA 0.883 54.901 54.000 0.029 0.000 0.829 197 D CB -0.201 40.692 40.800 0.155 0.000 0.961 197 D HN 0.271 8.641 8.370 0.000 0.000 0.460 198 I N 0.816 121.325 120.570 -0.102 0.000 2.614 198 I HA -0.188 3.982 4.170 -0.001 0.000 0.258 198 I C 2.075 178.090 176.117 -0.171 0.000 1.189 198 I CA 0.892 62.066 61.300 -0.210 0.000 1.462 198 I CB -0.116 37.759 38.000 -0.208 0.000 1.092 198 I HN -0.011 8.199 8.210 0.000 0.000 0.442 199 S N -0.130 115.499 115.700 -0.118 0.000 2.558 199 S HA 0.031 4.500 4.470 -0.001 0.000 0.217 199 S C 1.513 176.063 174.600 -0.084 0.000 0.975 199 S CA 0.137 58.280 58.200 -0.094 0.000 0.912 199 S CB -0.082 63.070 63.200 -0.080 0.000 0.776 199 S HN 0.374 8.684 8.310 0.000 0.000 0.526 200 K N 0.460 120.806 120.400 -0.089 0.000 2.399 200 K HA 0.407 4.727 4.320 -0.001 0.000 0.204 200 K C -0.534 176.006 176.600 -0.101 0.000 1.023 200 K CA -0.240 56.009 56.287 -0.064 0.000 1.127 200 K CB 0.309 32.796 32.500 -0.023 0.000 0.856 200 K HN 0.385 8.635 8.250 0.000 0.000 0.514 201 I N 3.554 123.990 120.570 -0.224 0.000 2.598 201 I HA 0.011 4.180 4.170 -0.001 0.000 0.284 201 I C -2.120 173.895 176.117 -0.169 0.000 1.140 201 I CA -2.026 59.040 61.300 -0.390 0.000 1.420 201 I CB 0.361 37.911 38.000 -0.750 0.000 1.387 201 I HN -0.142 8.068 8.210 0.000 0.000 0.553 202 P HA -0.049 4.371 4.420 0.000 0.000 0.263 202 P C -0.498 176.813 177.300 0.018 0.000 1.175 202 P CA 0.057 63.169 63.100 0.020 0.000 0.761 202 P CB 0.268 32.024 31.700 0.093 0.000 0.794 203 E N 2.886 123.098 120.200 0.021 0.000 2.534 203 E HA -0.157 4.192 4.350 -0.001 0.000 0.264 203 E C 0.391 177.035 176.600 0.074 0.000 0.981 203 E CA 0.681 57.097 56.400 0.028 0.000 0.948 203 E CB -0.068 29.643 29.700 0.018 0.000 0.934 203 E HN 0.453 8.813 8.360 0.000 0.000 0.459 204 Q N -0.572 119.281 119.800 0.088 0.000 2.493 204 Q HA -0.159 4.180 4.340 -0.001 0.000 0.260 204 Q C -0.539 175.687 176.000 0.377 0.000 0.905 204 Q CA 0.349 56.246 55.803 0.158 0.000 1.140 204 Q CB -1.524 27.221 28.738 0.012 0.000 1.435 204 Q HN 0.400 8.670 8.270 0.000 0.000 0.581 205 S N -0.342 115.533 115.700 0.292 0.000 2.669 205 S HA 0.517 4.986 4.470 -0.001 0.000 0.270 205 S C 0.306 175.084 174.600 0.297 0.000 1.225 205 S CA -0.698 57.708 58.200 0.342 0.000 0.991 205 S CB 1.738 65.078 63.200 0.234 0.000 0.987 205 S HN 0.169 8.479 8.310 0.000 0.000 0.552 206 V N 2.353 122.391 119.914 0.207 0.000 2.383 206 V HA 0.370 4.490 4.120 -0.001 0.000 0.275 206 V C -0.555 175.619 176.094 0.134 0.000 1.036 206 V CA -0.489 61.862 62.300 0.084 0.000 0.889 206 V CB 1.023 32.755 31.823 -0.152 0.000 0.985 206 V HN 0.590 8.780 8.190 0.000 0.000 0.459 207 L N 6.634 127.929 121.223 0.119 0.000 2.305 207 L HA 0.588 4.928 4.340 -0.001 0.000 0.284 207 L C -0.642 176.254 176.870 0.044 0.000 1.013 207 L CA -0.039 54.839 54.840 0.062 0.000 0.819 207 L CB 1.371 43.404 42.059 -0.044 0.000 1.227 207 L HN 0.641 8.871 8.230 0.000 0.000 0.417 208 L N 5.964 127.222 121.223 0.060 0.000 2.292 208 L HA 0.558 4.897 4.340 -0.001 0.000 0.284 208 L C -1.287 175.679 176.870 0.160 0.000 1.065 208 L CA -0.239 54.630 54.840 0.048 0.000 0.806 208 L CB 0.735 42.707 42.059 -0.144 0.000 1.175 208 L HN 0.652 8.882 8.230 0.000 0.000 0.431 209 L N 4.944 126.193 121.223 0.044 0.000 2.385 209 L HA 0.439 4.778 4.340 -0.001 0.000 0.273 209 L C -0.480 176.613 176.870 0.372 0.000 0.990 209 L CA -0.682 54.248 54.840 0.150 0.000 0.821 209 L CB 1.659 43.488 42.059 -0.383 0.000 1.279 209 L HN 0.552 8.782 8.230 0.000 0.000 0.412 210 H N 2.423 121.725 119.070 0.386 0.000 2.819 210 H HA 0.104 4.659 4.556 -0.001 0.000 0.303 210 H C 0.736 176.404 175.328 0.567 0.000 1.058 210 H CA -0.008 56.300 56.048 0.432 0.000 1.471 210 H CB 1.750 31.741 29.762 0.381 0.000 1.480 210 H HN 0.893 9.173 8.280 0.000 0.000 0.517 211 A N 3.966 127.103 122.820 0.528 0.000 1.933 211 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 211 A C 1.127 178.904 177.584 0.321 0.000 1.175 211 A CA 1.453 53.660 52.037 0.284 0.000 0.628 211 A CB -0.323 18.673 19.000 -0.007 0.000 0.814 211 A HN 0.863 9.013 8.150 0.000 0.000 0.444 212 C N -6.707 112.838 119.300 0.408 0.000 3.197 212 C HA 0.644 5.103 4.460 -0.001 0.000 0.343 212 C C 0.475 175.700 174.990 0.392 0.000 1.291 212 C CA -0.746 58.512 59.018 0.399 0.000 1.191 212 C CB 0.759 28.664 27.740 0.275 0.000 1.444 212 C HN 2.250 10.480 8.230 0.000 0.000 0.468 213 A N 1.135 124.135 122.820 0.300 0.000 2.519 213 A HA -0.107 4.213 4.320 -0.001 0.000 0.297 213 A C 0.375 178.119 177.584 0.266 0.000 1.472 213 A CA 1.346 53.493 52.037 0.184 0.000 0.739 213 A CB -2.287 16.686 19.000 -0.045 0.000 1.096 213 A HN 2.335 10.485 8.150 0.000 0.000 0.414 214 H N 0.664 119.873 119.070 0.233 0.000 3.173 214 H HA 0.074 4.629 4.556 -0.001 0.000 0.311 214 H C 0.201 175.615 175.328 0.143 0.000 0.972 214 H CA 1.781 57.917 56.048 0.146 0.000 1.384 214 H CB 0.392 30.146 29.762 -0.013 0.000 1.349 214 H HN 0.701 8.981 8.280 0.000 0.000 0.582 215 N N 6.391 124.907 118.700 -0.307 0.000 2.399 215 N HA 0.182 4.921 4.740 -0.001 0.000 0.280 215 N C -2.285 172.956 175.510 -0.448 0.000 1.008 215 N CA -2.256 50.697 53.050 -0.161 0.000 0.894 215 N CB 1.885 40.418 38.487 0.076 0.000 1.273 215 N HN 0.352 8.732 8.380 0.000 0.000 0.486 216 P HA 0.128 4.548 4.420 0.000 0.000 0.261 216 P C 0.760 178.000 177.300 -0.099 0.000 1.268 216 P CA 0.437 63.420 63.100 -0.195 0.000 0.833 216 P CB 0.245 31.896 31.700 -0.081 0.000 1.231 217 T N -5.405 109.075 114.554 -0.123 0.000 3.037 217 T HA 0.317 4.667 4.350 -0.001 0.000 0.251 217 T C 1.669 176.479 174.700 0.184 0.000 1.079 217 T CA 0.854 62.817 62.100 -0.228 0.000 1.067 217 T CB -0.893 67.663 68.868 -0.520 0.000 0.948 217 T HN 0.155 8.395 8.240 0.000 0.000 0.496 218 G N 1.015 109.975 108.800 0.267 0.000 2.212 218 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.266 218 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.266 218 G C 0.141 175.166 174.900 0.209 0.000 0.978 218 G CA 0.172 45.413 45.100 0.236 0.000 0.632 218 G HN 0.766 9.056 8.290 0.000 0.000 0.537 219 V N 1.648 121.684 119.914 0.204 0.000 2.470 219 V HA 0.492 4.612 4.120 -0.001 0.000 0.276 219 V C -0.079 176.016 176.094 0.003 0.000 1.040 219 V CA -0.073 62.282 62.300 0.092 0.000 1.008 219 V CB 1.398 33.260 31.823 0.065 0.000 0.990 219 V HN 0.275 8.465 8.190 0.000 0.000 0.477 220 D N 5.410 125.761 120.400 -0.081 0.000 2.457 220 D HA 0.523 5.162 4.640 -0.001 0.000 0.240 220 D C -2.598 173.429 176.300 -0.455 0.000 1.041 220 D CA -1.523 52.395 54.000 -0.137 0.000 0.861 220 D CB 1.954 42.813 40.800 0.098 0.000 1.394 220 D HN 0.269 8.639 8.370 0.000 0.000 0.473 221 P HA 0.177 4.597 4.420 0.000 0.000 0.269 221 P C -0.097 176.992 177.300 -0.352 0.000 1.209 221 P CA -0.178 62.445 63.100 -0.794 0.000 0.776 221 P CB 0.742 31.590 31.700 -1.419 0.000 0.876 222 R N 3.481 123.852 120.500 -0.215 0.000 2.582 222 R HA 0.132 4.471 4.340 -0.001 0.000 0.271 222 R C -1.371 174.949 176.300 0.034 0.000 1.078 222 R CA -1.292 54.758 56.100 -0.084 0.000 1.127 222 R CB -0.396 29.829 30.300 -0.124 0.000 1.038 222 R HN 0.383 8.653 8.270 0.000 0.000 0.500 223 P HA -0.259 4.161 4.420 0.000 0.000 0.217 223 P C 0.597 177.971 177.300 0.123 0.000 1.158 223 P CA 1.432 64.532 63.100 0.000 0.000 0.887 223 P CB 0.222 31.562 31.700 -0.599 0.000 0.792 224 E N -0.391 119.800 120.200 -0.015 0.000 2.118 224 E HA -0.206 4.144 4.350 -0.001 0.000 0.195 224 E C 2.050 178.667 176.600 0.029 0.000 0.992 224 E CA 1.223 57.630 56.400 0.011 0.000 0.804 224 E CB -0.585 29.085 29.700 -0.050 0.000 0.741 224 E HN 0.509 8.869 8.360 0.000 0.000 0.458 225 Q N -1.067 118.667 119.800 -0.109 0.000 2.172 225 Q HA -0.114 4.225 4.340 -0.001 0.000 0.200 225 Q C 2.052 178.198 176.000 0.243 0.000 0.964 225 Q CA 0.927 56.590 55.803 -0.232 0.000 0.855 225 Q CB -0.202 28.140 28.738 -0.660 0.000 0.918 225 Q HN 0.376 8.646 8.270 0.000 0.000 0.444 226 W N 1.509 122.982 121.300 0.288 0.000 2.379 226 W HA -0.100 4.559 4.660 -0.001 0.000 0.307 226 W C 2.172 178.936 176.519 0.408 0.000 1.200 226 W CA 0.477 58.102 57.345 0.467 0.000 1.297 226 W CB 0.115 29.923 29.460 0.580 0.000 1.140 226 W HN 0.014 8.194 8.180 0.000 0.000 0.507 227 K N 0.361 121.079 120.400 0.530 0.000 2.127 227 K HA -0.263 4.057 4.320 -0.001 0.000 0.208 227 K C 1.617 178.402 176.600 0.308 0.000 1.047 227 K CA 1.958 58.466 56.287 0.369 0.000 0.927 227 K CB -0.281 32.368 32.500 0.250 0.000 0.716 227 K HN 0.325 8.575 8.250 0.000 0.000 0.450 228 E N 0.298 120.696 120.200 0.329 0.000 2.076 228 E HA -0.095 4.254 4.350 -0.001 0.000 0.190 228 E C 2.080 178.825 176.600 0.242 0.000 0.979 228 E CA 0.702 57.270 56.400 0.281 0.000 0.807 228 E CB -0.018 29.915 29.700 0.388 0.000 0.761 228 E HN 0.264 8.624 8.360 0.000 0.000 0.454 229 I N 1.526 122.313 120.570 0.362 0.000 2.163 229 I HA -0.310 3.859 4.170 -0.001 0.000 0.243 229 I C 2.638 178.850 176.117 0.159 0.000 1.085 229 I CA 1.093 62.598 61.300 0.342 0.000 1.347 229 I CB -0.457 37.897 38.000 0.591 0.000 1.044 229 I HN 0.068 8.278 8.210 0.000 0.000 0.408 230 A N 0.203 122.986 122.820 -0.061 0.000 1.869 230 A HA -0.335 3.985 4.320 -0.001 0.000 0.218 230 A C 2.522 179.922 177.584 -0.306 0.000 1.203 230 A CA 2.733 54.317 52.037 -0.756 0.000 0.638 230 A CB -1.196 17.305 19.000 -0.831 0.000 0.831 230 A HN 0.442 8.592 8.150 0.000 0.000 0.450 231 S N -0.923 114.713 115.700 -0.105 0.000 2.370 231 S HA -0.143 4.327 4.470 -0.001 0.000 0.226 231 S C 1.884 176.461 174.600 -0.038 0.000 1.033 231 S CA 1.840 60.010 58.200 -0.050 0.000 1.011 231 S CB -0.584 62.628 63.200 0.020 0.000 0.852 231 S HN 0.326 8.636 8.310 0.000 0.000 0.457 232 V N 1.329 121.236 119.914 -0.012 0.000 2.427 232 V HA -0.087 4.032 4.120 -0.001 0.000 0.248 232 V C 2.515 178.590 176.094 -0.031 0.000 1.051 232 V CA 1.549 63.837 62.300 -0.019 0.000 1.048 232 V CB -0.731 31.082 31.823 -0.016 0.000 0.666 232 V HN 0.420 8.610 8.190 0.000 0.000 0.456 233 V N -0.004 119.894 119.914 -0.026 0.000 2.252 233 V HA -0.372 3.747 4.120 -0.001 0.000 0.249 233 V C 2.471 178.547 176.094 -0.031 0.000 1.056 233 V CA 2.617 64.909 62.300 -0.013 0.000 1.022 233 V CB -0.644 31.208 31.823 0.049 0.000 0.641 233 V HN 0.542 8.732 8.190 0.000 0.000 0.445 234 K N 0.437 120.797 120.400 -0.067 0.000 2.009 234 K HA -0.260 4.059 4.320 -0.001 0.000 0.210 234 K C 2.277 178.855 176.600 -0.038 0.000 1.049 234 K CA 2.199 58.450 56.287 -0.060 0.000 0.929 234 K CB -0.250 32.197 32.500 -0.089 0.000 0.714 234 K HN 0.604 8.854 8.250 0.000 0.000 0.440 235 K N 0.163 120.541 120.400 -0.036 0.000 2.288 235 K HA -0.104 4.215 4.320 -0.001 0.000 0.201 235 K C 1.270 177.856 176.600 -0.023 0.000 1.048 235 K CA 1.241 57.512 56.287 -0.026 0.000 0.956 235 K CB 0.147 32.633 32.500 -0.023 0.000 0.746 235 K HN -0.032 8.218 8.250 0.000 0.000 0.461 236 K N 1.019 121.403 120.400 -0.027 0.000 2.387 236 K HA 0.020 4.340 4.320 -0.001 0.000 0.198 236 K C -0.350 176.241 176.600 -0.014 0.000 1.022 236 K CA -0.142 56.129 56.287 -0.026 0.000 1.128 236 K CB -0.078 32.397 32.500 -0.042 0.000 0.853 236 K HN 0.175 8.425 8.250 0.000 0.000 0.523 237 N N 1.531 120.227 118.700 -0.008 0.000 2.696 237 N HA -0.184 4.556 4.740 -0.001 0.000 0.256 237 N C -1.155 174.380 175.510 0.042 0.000 1.031 237 N CA 0.517 53.570 53.050 0.004 0.000 0.730 237 N CB -1.208 37.270 38.487 -0.015 0.000 0.894 237 N HN 0.203 8.583 8.380 0.000 0.000 0.544 238 L N -0.129 121.128 121.223 0.055 0.000 2.352 238 L HA 0.550 4.889 4.340 -0.001 0.000 0.269 238 L C 0.492 177.473 176.870 0.185 0.000 1.034 238 L CA -1.010 53.895 54.840 0.108 0.000 0.806 238 L CB 0.805 42.883 42.059 0.032 0.000 1.244 238 L HN 0.140 8.370 8.230 0.000 0.000 0.447 239 F N 1.442 121.453 119.950 0.103 0.000 2.404 239 F HA 0.583 5.109 4.527 -0.001 0.000 0.354 239 F C 0.211 176.050 175.800 0.066 0.000 1.122 239 F CA -0.648 57.412 58.000 0.101 0.000 1.080 239 F CB 1.167 40.202 39.000 0.057 0.000 1.131 239 F HN 0.435 8.735 8.300 0.000 0.000 0.471 240 A N 7.200 129.747 122.820 -0.455 0.000 2.269 240 A HA 0.431 4.750 4.320 -0.001 0.000 0.302 240 A C -1.481 175.862 177.584 -0.401 0.000 1.266 240 A CA -0.338 51.500 52.037 -0.331 0.000 0.894 240 A CB -0.281 18.621 19.000 -0.163 0.000 1.147 240 A HN 0.786 8.936 8.150 0.000 0.000 0.537 241 F N 3.537 123.318 119.950 -0.280 0.000 2.366 241 F HA 0.598 5.124 4.527 -0.001 0.000 0.366 241 F C -1.093 174.628 175.800 -0.131 0.000 1.096 241 F CA -0.772 57.216 58.000 -0.021 0.000 1.060 241 F CB 0.584 39.695 39.000 0.185 0.000 1.282 241 F HN 0.517 8.817 8.300 0.000 0.000 0.450 242 F N 3.972 123.911 119.950 -0.019 0.000 2.404 242 F HA 0.224 4.751 4.527 -0.001 0.000 0.345 242 F C 0.231 176.067 175.800 0.060 0.000 1.110 242 F CA -0.365 57.629 58.000 -0.010 0.000 1.130 242 F CB 0.817 39.703 39.000 -0.191 0.000 1.129 242 F HN 0.339 8.639 8.300 0.000 0.000 0.500 243 D N 5.061 125.656 120.400 0.325 0.000 2.392 243 D HA 0.216 4.855 4.640 -0.001 0.000 0.228 243 D C -0.921 175.452 176.300 0.122 0.000 1.074 243 D CA -0.333 53.793 54.000 0.209 0.000 0.838 243 D CB 1.103 41.999 40.800 0.160 0.000 1.067 243 D HN 0.523 8.893 8.370 0.000 0.000 0.511 244 M N 4.035 123.656 119.600 0.035 0.000 2.386 244 M HA 0.444 4.924 4.480 -0.001 0.000 0.245 244 M C -0.153 176.053 176.300 -0.158 0.000 0.982 244 M CA -0.541 54.743 55.300 -0.027 0.000 0.860 244 M CB 0.915 33.469 32.600 -0.078 0.000 1.371 244 M HN 0.388 8.678 8.290 0.000 0.000 0.425 245 A N 2.436 125.093 122.820 -0.272 0.000 2.251 245 A HA 0.143 4.462 4.320 -0.001 0.000 0.209 245 A C 0.078 177.117 177.584 -0.908 0.000 1.187 245 A CA 0.527 52.170 52.037 -0.657 0.000 0.823 245 A CB -0.218 18.236 19.000 -0.910 0.000 0.846 245 A HN 0.855 9.005 8.150 0.000 0.000 0.486 246 Y N -1.013 119.252 120.300 -0.058 0.000 2.779 246 Y HA 0.258 4.807 4.550 -0.001 0.000 0.251 246 Y C 0.571 176.514 175.900 0.072 0.000 1.145 246 Y CA -0.961 57.153 58.100 0.024 0.000 1.201 246 Y CB -0.267 38.284 38.460 0.152 0.000 1.281 246 Y HN 0.352 8.632 8.280 0.000 0.000 0.563 247 Q N 1.090 120.939 119.800 0.080 0.000 2.308 247 Q HA 0.209 4.548 4.340 -0.001 0.000 0.313 247 Q C 1.395 177.445 176.000 0.084 0.000 1.075 247 Q CA 1.887 57.722 55.803 0.054 0.000 0.995 247 Q CB 0.272 28.994 28.738 -0.028 0.000 1.107 247 Q HN 0.789 9.059 8.270 0.000 0.000 0.380 248 G N 4.007 112.842 108.800 0.059 0.000 2.640 248 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.226 248 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.226 248 G C 0.369 175.293 174.900 0.039 0.000 1.222 248 G CA 0.411 45.504 45.100 -0.012 0.000 0.729 248 G HN 0.737 9.027 8.290 0.000 0.000 0.516 249 F N 2.735 122.684 119.950 -0.002 0.000 2.234 249 F HA 0.334 4.860 4.527 -0.001 0.000 0.299 249 F C 2.702 178.522 175.800 0.033 0.000 1.087 249 F CA 2.151 60.169 58.000 0.030 0.000 1.340 249 F CB -0.231 38.851 39.000 0.138 0.000 1.031 249 F HN 0.453 8.753 8.300 0.000 0.000 0.500 250 A N -0.285 122.668 122.820 0.222 0.000 1.832 250 A HA -0.179 4.141 4.320 -0.001 0.000 0.214 250 A C 2.219 179.791 177.584 -0.021 0.000 1.200 250 A CA 2.169 54.269 52.037 0.104 0.000 0.610 250 A CB -1.239 17.862 19.000 0.169 0.000 0.842 250 A HN 0.442 8.592 8.150 0.000 0.000 0.444 251 S N -3.208 112.485 115.700 -0.010 0.000 2.559 251 S HA 0.438 4.907 4.470 -0.001 0.000 0.226 251 S C 1.292 175.849 174.600 -0.072 0.000 1.000 251 S CA 1.086 59.264 58.200 -0.038 0.000 0.948 251 S CB 0.434 63.629 63.200 -0.008 0.000 0.870 251 S HN 2.061 10.371 8.310 0.000 0.000 0.497 252 G N 1.079 109.821 108.800 -0.096 0.000 2.176 252 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.253 252 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.253 252 G C -0.289 174.545 174.900 -0.111 0.000 0.979 252 G CA 0.235 45.262 45.100 -0.122 0.000 0.641 252 G HN 0.690 8.980 8.290 0.000 0.000 0.530 253 D N -0.157 120.197 120.400 -0.076 0.000 2.421 253 D HA 0.536 5.175 4.640 -0.001 0.000 0.254 253 D C 1.493 177.770 176.300 -0.040 0.000 1.238 253 D CA 0.439 54.400 54.000 -0.063 0.000 0.919 253 D CB 0.537 41.309 40.800 -0.046 0.000 1.152 253 D HN 0.228 8.598 8.370 0.000 0.000 0.552 254 G N 2.754 111.517 108.800 -0.061 0.000 2.440 254 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.218 254 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.218 254 G C 1.091 175.984 174.900 -0.012 0.000 1.154 254 G CA 0.607 45.684 45.100 -0.039 0.000 0.767 254 G HN 0.483 8.773 8.290 0.000 0.000 0.552 255 D N 0.166 120.563 120.400 -0.005 0.000 2.178 255 D HA -0.085 4.554 4.640 -0.001 0.000 0.201 255 D C 2.246 178.592 176.300 0.077 0.000 0.980 255 D CA 1.106 55.121 54.000 0.025 0.000 0.842 255 D CB -0.092 40.725 40.800 0.027 0.000 0.948 255 D HN 0.479 8.849 8.370 0.000 0.000 0.472 256 K N 0.673 121.107 120.400 0.056 0.000 2.186 256 K HA -0.097 4.223 4.320 -0.001 0.000 0.202 256 K C 1.056 177.716 176.600 0.101 0.000 1.052 256 K CA 0.853 57.188 56.287 0.079 0.000 0.965 256 K CB 0.296 32.801 32.500 0.008 0.000 0.746 256 K HN -0.170 8.080 8.250 0.000 0.000 0.457 257 D N 0.753 121.190 120.400 0.062 0.000 2.219 257 D HA -0.082 4.558 4.640 -0.001 0.000 0.205 257 D C 1.391 177.702 176.300 0.019 0.000 0.970 257 D CA 1.131 55.173 54.000 0.070 0.000 0.851 257 D CB 0.125 40.968 40.800 0.071 0.000 0.943 257 D HN 0.359 8.729 8.370 0.000 0.000 0.488 258 A N -0.639 122.170 122.820 -0.018 0.000 2.275 258 A HA 0.061 4.380 4.320 -0.001 0.000 0.212 258 A C 1.759 179.247 177.584 -0.160 0.000 1.201 258 A CA -0.288 51.669 52.037 -0.134 0.000 0.843 258 A CB -0.819 18.093 19.000 -0.146 0.000 0.873 258 A HN 0.277 8.427 8.150 0.000 0.000 0.492 259 W N 1.058 122.244 121.300 -0.191 0.000 2.321 259 W HA -0.290 4.370 4.660 -0.001 0.000 0.306 259 W C 2.177 178.546 176.519 -0.251 0.000 1.217 259 W CA 2.588 59.834 57.345 -0.166 0.000 1.257 259 W CB -0.022 29.380 29.460 -0.097 0.000 1.145 259 W HN 0.358 8.538 8.180 0.000 0.000 0.509 260 A N -0.541 122.100 122.820 -0.298 0.000 1.898 260 A HA -0.156 4.163 4.320 -0.001 0.000 0.216 260 A C 2.002 179.065 177.584 -0.869 0.000 1.181 260 A CA 2.076 53.654 52.037 -0.765 0.000 0.620 260 A CB -1.209 16.740 19.000 -1.751 0.000 0.819 260 A HN 0.178 8.328 8.150 0.000 0.000 0.442 261 V N 0.333 119.604 119.914 -1.071 0.000 2.287 261 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 261 V C 2.622 178.348 176.094 -0.613 0.000 1.053 261 V CA 2.378 63.964 62.300 -1.191 0.000 1.027 261 V CB -0.812 30.371 31.823 -1.067 0.000 0.646 261 V HN 0.569 8.759 8.190 0.000 0.000 0.447 262 R N -0.800 119.391 120.500 -0.515 0.000 2.189 262 R HA -0.150 4.189 4.340 -0.001 0.000 0.223 262 R C 2.227 178.297 176.300 -0.383 0.000 1.092 262 R CA 1.510 57.372 56.100 -0.396 0.000 0.989 262 R CB -0.424 29.663 30.300 -0.353 0.000 0.876 262 R HN 0.727 8.997 8.270 0.000 0.000 0.457 263 H N -0.158 118.547 119.070 -0.608 0.000 2.415 263 H HA 0.018 4.574 4.556 -0.001 0.000 0.297 263 H C 1.467 176.660 175.328 -0.224 0.000 1.048 263 H CA 1.032 56.733 56.048 -0.577 0.000 1.365 263 H CB 0.004 29.093 29.762 -1.123 0.000 1.421 263 H HN -0.009 8.271 8.280 0.000 0.000 0.533 264 F N 0.520 120.239 119.950 -0.384 0.000 2.095 264 F HA -0.149 4.377 4.527 -0.001 0.000 0.298 264 F C 2.311 177.959 175.800 -0.252 0.000 1.104 264 F CA 1.449 59.309 58.000 -0.233 0.000 1.232 264 F CB -0.589 38.406 39.000 -0.009 0.000 0.987 264 F HN 0.212 8.512 8.300 0.000 0.000 0.475 265 I N -0.303 120.224 120.570 -0.071 0.000 2.142 265 I HA -0.268 3.902 4.170 -0.001 0.000 0.240 265 I C 2.574 178.594 176.117 -0.162 0.000 1.078 265 I CA 1.552 62.781 61.300 -0.117 0.000 1.343 265 I CB -0.574 37.334 38.000 -0.152 0.000 1.046 265 I HN 0.120 8.330 8.210 0.000 0.000 0.405 266 E N 0.774 120.842 120.200 -0.220 0.000 2.219 266 E HA -0.273 4.076 4.350 -0.001 0.000 0.198 266 E C 1.667 178.125 176.600 -0.237 0.000 0.998 266 E CA 1.191 57.462 56.400 -0.217 0.000 0.818 266 E CB 0.039 29.602 29.700 -0.228 0.000 0.741 266 E HN 0.480 8.840 8.360 0.000 0.000 0.477 267 Q N -0.840 118.764 119.800 -0.326 0.000 2.415 267 Q HA 0.052 4.391 4.340 -0.001 0.000 0.206 267 Q C 1.020 176.915 176.000 -0.176 0.000 0.946 267 Q CA 0.773 56.403 55.803 -0.289 0.000 0.951 267 Q CB 0.664 29.148 28.738 -0.423 0.000 1.026 267 Q HN 0.495 8.765 8.270 0.000 0.000 0.510 268 G N 1.235 109.955 108.800 -0.133 0.000 2.136 268 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.242 268 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.242 268 G C 0.155 175.017 174.900 -0.063 0.000 0.989 268 G CA -0.092 44.959 45.100 -0.081 0.000 0.682 268 G HN 0.353 8.643 8.290 0.000 0.000 0.522 269 I N 1.078 121.607 120.570 -0.069 0.000 2.312 269 I HA 0.221 4.390 4.170 -0.001 0.000 0.291 269 I C -0.251 175.852 176.117 -0.023 0.000 1.031 269 I CA -0.778 60.507 61.300 -0.026 0.000 1.293 269 I CB 0.875 38.892 38.000 0.028 0.000 1.403 269 I HN -0.081 8.129 8.210 0.000 0.000 0.484 270 N N 7.054 125.737 118.700 -0.028 0.000 2.719 270 N HA 0.162 4.901 4.740 -0.001 0.000 0.243 270 N C -0.131 175.296 175.510 -0.138 0.000 1.104 270 N CA -0.178 52.857 53.050 -0.024 0.000 0.981 270 N CB 0.810 39.332 38.487 0.058 0.000 1.290 270 N HN 0.476 8.856 8.380 0.000 0.000 0.513 271 V N -0.399 119.410 119.914 -0.174 0.000 3.264 271 V HA 0.551 4.671 4.120 -0.001 0.000 0.304 271 V C 0.880 176.822 176.094 -0.252 0.000 1.086 271 V CA -1.005 61.117 62.300 -0.298 0.000 1.090 271 V CB 0.848 32.644 31.823 -0.045 0.000 1.112 271 V HN 0.582 8.772 8.190 0.000 0.000 0.472 272 C N 2.980 122.109 119.300 -0.284 0.000 2.630 272 C HA 0.954 5.414 4.460 -0.001 0.000 0.346 272 C C -0.545 174.192 174.990 -0.422 0.000 1.245 272 C CA -0.851 57.962 59.018 -0.341 0.000 1.804 272 C CB 0.702 28.302 27.740 -0.234 0.000 2.279 272 C HN 1.301 9.531 8.230 0.000 0.000 0.498 273 L N 1.051 121.929 121.223 -0.574 0.000 2.493 273 L HA 0.678 5.018 4.340 -0.001 0.000 0.265 273 L C -0.996 175.730 176.870 -0.240 0.000 0.954 273 L CA 0.043 54.687 54.840 -0.327 0.000 0.844 273 L CB 1.530 43.429 42.059 -0.266 0.000 1.302 273 L HN 1.060 9.290 8.230 0.000 0.000 0.405 274 C N 3.386 122.677 119.300 -0.016 0.000 2.303 274 C HA 0.698 5.157 4.460 -0.001 0.000 0.326 274 C C -0.075 174.934 174.990 0.031 0.000 1.285 274 C CA -0.562 58.539 59.018 0.138 0.000 1.675 274 C CB 0.802 28.698 27.740 0.260 0.000 2.289 274 C HN 0.772 9.002 8.230 0.000 0.000 0.512 275 Q N 1.210 121.026 119.800 0.026 0.000 2.306 275 Q HA 0.652 4.992 4.340 -0.001 0.000 0.265 275 Q C -0.470 175.504 176.000 -0.044 0.000 1.022 275 Q CA -0.135 55.627 55.803 -0.068 0.000 0.853 275 Q CB 2.188 30.881 28.738 -0.075 0.000 1.327 275 Q HN 0.768 9.038 8.270 0.000 0.000 0.449 276 S N 0.712 116.285 115.700 -0.212 0.000 2.526 276 S HA 0.460 4.929 4.470 -0.001 0.000 0.293 276 S C -1.109 173.269 174.600 -0.370 0.000 1.092 276 S CA -0.380 57.709 58.200 -0.184 0.000 0.980 276 S CB 0.594 63.623 63.200 -0.284 0.000 1.048 276 S HN 0.628 8.938 8.310 0.000 0.000 0.483 277 Y N 2.159 122.383 120.300 -0.126 0.000 2.555 277 Y HA 0.477 5.026 4.550 -0.001 0.000 0.259 277 Y C 1.280 177.020 175.900 -0.267 0.000 1.179 277 Y CA 0.005 58.019 58.100 -0.142 0.000 1.230 277 Y CB -0.148 38.255 38.460 -0.095 0.000 1.146 277 Y HN 0.788 9.068 8.280 0.000 0.000 0.526 281 M N 0.497 120.225 119.600 0.214 0.000 2.313 281 M HA 0.400 4.880 4.480 -0.001 0.000 0.273 281 M C 0.750 177.066 176.300 0.026 0.000 1.049 281 M CA 0.691 56.098 55.300 0.179 0.000 1.004 281 M CB 0.784 33.376 32.600 -0.013 0.000 1.461 281 M HN 0.379 8.669 8.290 0.000 0.000 0.514 282 G N 1.513 110.269 108.800 -0.073 0.000 2.179 282 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.257 282 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.257 282 G C 0.442 175.284 174.900 -0.096 0.000 1.010 282 G CA 0.024 45.084 45.100 -0.066 0.000 0.736 282 G HN 0.499 8.789 8.290 0.000 0.000 0.513 283 L N -0.669 120.417 121.223 -0.228 0.000 2.627 283 L HA 0.175 4.514 4.340 -0.001 0.000 0.232 283 L C 2.383 179.212 176.870 -0.070 0.000 1.150 283 L CA -0.333 54.441 54.840 -0.109 0.000 0.917 283 L CB -0.477 41.519 42.059 -0.105 0.000 1.104 283 L HN 0.362 8.592 8.230 0.000 0.000 0.445 284 Y N 0.939 121.240 120.300 0.001 0.000 1.971 284 Y HA -0.431 4.119 4.550 -0.001 0.000 0.181 284 Y C 2.411 178.307 175.900 -0.007 0.000 1.167 284 Y CA 1.996 60.097 58.100 0.001 0.000 0.869 284 Y CB -1.508 36.965 38.460 0.023 0.000 0.693 284 Y HN 0.258 8.538 8.280 0.000 0.000 0.587 285 G N -1.140 107.767 108.800 0.179 0.000 2.920 285 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.208 285 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.208 285 G C 1.251 176.164 174.900 0.022 0.000 1.159 285 G CA 0.525 45.676 45.100 0.085 0.000 0.784 285 G HN 0.394 8.684 8.290 0.000 0.000 0.535 286 E N 0.597 120.796 120.200 -0.001 0.000 2.371 286 E HA -0.004 4.345 4.350 -0.001 0.000 0.194 286 E C 0.368 176.920 176.600 -0.080 0.000 1.012 286 E CA 0.006 56.375 56.400 -0.052 0.000 0.860 286 E CB 0.155 29.807 29.700 -0.079 0.000 0.811 286 E HN 0.157 8.517 8.360 0.000 0.000 0.502 287 R N -0.149 120.316 120.500 -0.060 0.000 2.994 287 R HA -0.119 4.221 4.340 -0.001 0.000 0.267 287 R C -0.906 175.330 176.300 -0.107 0.000 0.914 287 R CA 0.191 56.250 56.100 -0.068 0.000 0.668 287 R CB -3.000 27.255 30.300 -0.075 0.000 1.524 287 R HN -0.063 8.207 8.270 0.000 0.000 0.478 288 V N 0.662 120.522 119.914 -0.091 0.000 2.378 288 V HA 0.881 5.001 4.120 -0.001 0.000 0.288 288 V C 1.071 177.233 176.094 0.114 0.000 1.016 288 V CA 0.129 62.349 62.300 -0.133 0.000 0.840 288 V CB 2.081 33.748 31.823 -0.261 0.000 0.994 288 V HN 0.739 8.929 8.190 0.000 0.000 0.431 289 G N 2.959 111.866 108.800 0.179 0.000 2.687 289 G HA2 0.907 4.866 3.960 -0.001 0.000 0.291 289 G HA3 0.907 4.866 3.960 -0.001 0.000 0.291 289 G C -1.435 173.729 174.900 0.441 0.000 1.420 289 G CA -0.112 45.208 45.100 0.366 0.000 0.796 289 G HN 1.096 9.386 8.290 0.000 0.000 0.485 290 A N -1.012 122.021 122.820 0.354 0.000 2.572 290 A HA 0.798 5.117 4.320 -0.001 0.000 0.295 290 A C -2.106 175.628 177.584 0.251 0.000 1.072 290 A CA -0.587 51.621 52.037 0.286 0.000 0.691 290 A CB 1.833 20.925 19.000 0.154 0.000 1.291 290 A HN 1.590 9.740 8.150 0.000 0.000 0.404 291 F N 1.055 121.042 119.950 0.061 0.000 2.507 291 F HA 0.719 5.246 4.527 -0.001 0.000 0.325 291 F C -0.297 175.493 175.800 -0.017 0.000 1.116 291 F CA 0.011 58.015 58.000 0.007 0.000 0.930 291 F CB 2.294 41.307 39.000 0.021 0.000 1.146 291 F HN 0.476 8.776 8.300 0.000 0.000 0.447 292 T N 5.623 119.719 114.554 -0.764 0.000 2.824 292 T HA 0.556 4.905 4.350 -0.001 0.000 0.282 292 T C -1.167 173.067 174.700 -0.776 0.000 0.993 292 T CA -0.582 61.192 62.100 -0.543 0.000 0.967 292 T CB 1.658 70.354 68.868 -0.286 0.000 0.960 292 T HN 0.343 8.583 8.240 0.000 0.000 0.441 293 V N 3.832 123.475 119.914 -0.451 0.000 2.357 293 V HA 0.342 4.462 4.120 -0.001 0.000 0.284 293 V C 0.197 176.244 176.094 -0.078 0.000 1.018 293 V CA -0.834 61.306 62.300 -0.268 0.000 0.841 293 V CB 1.499 33.215 31.823 -0.178 0.000 0.991 293 V HN 0.722 8.912 8.190 0.000 0.000 0.437 294 V N 4.540 124.422 119.914 -0.054 0.000 2.555 294 V HA 0.235 4.355 4.120 -0.001 0.000 0.286 294 V C 0.333 176.461 176.094 0.057 0.000 1.044 294 V CA 0.024 62.330 62.300 0.011 0.000 1.026 294 V CB 0.910 32.710 31.823 -0.039 0.000 0.981 294 V HN 1.020 9.210 8.190 0.000 0.000 0.480 295 C N 3.789 123.130 119.300 0.068 0.000 2.771 295 C HA 0.384 4.843 4.460 -0.001 0.000 0.333 295 C C 1.772 176.797 174.990 0.058 0.000 1.267 295 C CA -0.913 58.148 59.018 0.072 0.000 1.721 295 C CB 1.867 29.636 27.740 0.047 0.000 2.222 295 C HN 1.023 9.253 8.230 0.000 0.000 0.485 296 K N 0.615 121.051 120.400 0.060 0.000 2.097 296 K HA -0.087 4.232 4.320 -0.001 0.000 0.205 296 K C 0.074 176.693 176.600 0.031 0.000 1.050 296 K CA 2.144 58.459 56.287 0.045 0.000 0.938 296 K CB 0.097 32.628 32.500 0.051 0.000 0.718 296 K HN 0.920 9.170 8.250 0.000 0.000 0.442 297 D N -3.737 116.679 120.400 0.026 0.000 2.692 297 D HA 0.272 4.911 4.640 -0.001 0.000 0.303 297 D C 0.127 176.425 176.300 -0.004 0.000 1.278 297 D CA -0.236 53.772 54.000 0.013 0.000 0.852 297 D CB 0.537 41.343 40.800 0.010 0.000 1.375 297 D HN -0.102 8.268 8.370 0.000 0.000 0.453 298 A N -0.390 122.418 122.820 -0.019 0.000 1.933 298 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 298 A C 1.832 179.385 177.584 -0.051 0.000 1.175 298 A CA 1.719 53.726 52.037 -0.051 0.000 0.628 298 A CB -0.861 18.108 19.000 -0.052 0.000 0.814 298 A HN 0.626 8.776 8.150 0.000 0.000 0.444 299 E N -0.066 120.118 120.200 -0.028 0.000 2.051 299 E HA -0.245 4.104 4.350 -0.001 0.000 0.192 299 E C 2.042 178.630 176.600 -0.020 0.000 0.991 299 E CA 1.632 58.018 56.400 -0.023 0.000 0.799 299 E CB -0.222 29.472 29.700 -0.010 0.000 0.748 299 E HN 0.809 9.169 8.360 0.000 0.000 0.449 300 E N 0.099 120.295 120.200 -0.006 0.000 2.051 300 E HA -0.194 4.156 4.350 -0.001 0.000 0.192 300 E C 2.031 178.623 176.600 -0.013 0.000 0.991 300 E CA 1.210 57.614 56.400 0.007 0.000 0.799 300 E CB -0.199 29.521 29.700 0.033 0.000 0.748 300 E HN 0.233 8.593 8.360 0.000 0.000 0.449 301 A N 1.590 124.389 122.820 -0.035 0.000 1.915 301 A HA -0.317 4.002 4.320 -0.001 0.000 0.220 301 A C 2.101 179.630 177.584 -0.092 0.000 1.198 301 A CA 2.311 54.299 52.037 -0.081 0.000 0.647 301 A CB -0.661 18.253 19.000 -0.143 0.000 0.825 301 A HN 0.255 8.405 8.150 0.000 0.000 0.456 302 K N -1.019 119.333 120.400 -0.080 0.000 2.057 302 K HA -0.150 4.170 4.320 -0.001 0.000 0.207 302 K C 2.356 178.927 176.600 -0.048 0.000 1.049 302 K CA 1.528 57.774 56.287 -0.069 0.000 0.931 302 K CB -0.214 32.252 32.500 -0.057 0.000 0.714 302 K HN 0.463 8.713 8.250 0.000 0.000 0.440 303 R N 0.459 120.936 120.500 -0.037 0.000 2.066 303 R HA -0.080 4.259 4.340 -0.001 0.000 0.232 303 R C 2.378 178.651 176.300 -0.045 0.000 1.131 303 R CA 1.141 57.221 56.100 -0.034 0.000 0.955 303 R CB -0.458 29.827 30.300 -0.025 0.000 0.851 303 R HN -0.009 8.261 8.270 0.000 0.000 0.432 304 V N 1.387 121.279 119.914 -0.037 0.000 2.343 304 V HA -0.263 3.856 4.120 -0.001 0.000 0.247 304 V C 2.362 178.418 176.094 -0.063 0.000 1.051 304 V CA 2.012 64.291 62.300 -0.035 0.000 1.036 304 V CB -0.521 31.262 31.823 -0.068 0.000 0.654 304 V HN 0.420 8.610 8.190 0.000 0.000 0.451 305 E N 0.804 120.962 120.200 -0.069 0.000 2.085 305 E HA -0.262 4.087 4.350 -0.001 0.000 0.194 305 E C 2.350 178.941 176.600 -0.015 0.000 0.994 305 E CA 1.849 58.217 56.400 -0.054 0.000 0.801 305 E CB -0.170 29.488 29.700 -0.070 0.000 0.743 305 E HN 0.741 9.101 8.360 0.000 0.000 0.453 306 S N 0.094 115.786 115.700 -0.014 0.000 2.382 306 S HA -0.183 4.287 4.470 -0.001 0.000 0.228 306 S C 1.963 176.586 174.600 0.039 0.000 1.027 306 S CA 0.939 59.141 58.200 0.005 0.000 0.991 306 S CB -0.206 62.994 63.200 -0.001 0.000 0.823 306 S HN 0.243 8.553 8.310 0.000 0.000 0.469 307 Q N 1.142 120.974 119.800 0.054 0.000 2.172 307 Q HA 0.202 4.542 4.340 -0.001 0.000 0.200 307 Q C 2.366 178.507 176.000 0.235 0.000 0.964 307 Q CA 0.807 56.700 55.803 0.150 0.000 0.855 307 Q CB -0.646 28.113 28.738 0.036 0.000 0.918 307 Q HN 0.570 8.840 8.270 0.000 0.000 0.444 308 L N 0.547 121.870 121.223 0.166 0.000 2.042 308 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 308 L C 2.383 179.305 176.870 0.087 0.000 1.076 308 L CA 1.327 56.249 54.840 0.138 0.000 0.749 308 L CB -0.292 41.792 42.059 0.041 0.000 0.893 308 L HN 0.145 8.375 8.230 0.000 0.000 0.432 309 K N 0.096 120.527 120.400 0.052 0.000 2.057 309 K HA -0.143 4.176 4.320 -0.001 0.000 0.207 309 K C 1.996 178.601 176.600 0.008 0.000 1.049 309 K CA 1.327 57.622 56.287 0.014 0.000 0.931 309 K CB -0.155 32.349 32.500 0.005 0.000 0.714 309 K HN 0.213 8.463 8.250 0.000 0.000 0.440 310 I N 0.711 121.312 120.570 0.051 0.000 2.361 310 I HA -0.270 3.899 4.170 -0.001 0.000 0.251 310 I C 1.935 178.075 176.117 0.039 0.000 1.133 310 I CA 1.076 62.406 61.300 0.050 0.000 1.413 310 I CB -0.060 37.994 38.000 0.089 0.000 1.073 310 I HN 0.135 8.345 8.210 0.000 0.000 0.424 311 L N -0.191 121.078 121.223 0.077 0.000 2.131 311 L HA -0.097 4.243 4.340 -0.001 0.000 0.206 311 L C 2.348 179.189 176.870 -0.048 0.000 1.087 311 L CA 1.078 55.950 54.840 0.053 0.000 0.767 311 L CB -0.123 42.024 42.059 0.146 0.000 0.917 311 L HN 0.176 8.406 8.230 0.000 0.000 0.441 312 I N -0.725 119.785 120.570 -0.099 0.000 2.406 312 I HA -0.217 3.953 4.170 -0.001 0.000 0.249 312 I C 2.683 178.556 176.117 -0.407 0.000 1.122 312 I CA 0.550 61.672 61.300 -0.298 0.000 1.431 312 I CB -0.096 37.748 38.000 -0.260 0.000 1.087 312 I HN 0.165 8.375 8.210 0.000 0.000 0.424 313 R N 1.866 122.225 120.500 -0.235 0.000 2.113 313 R HA -0.178 4.162 4.340 -0.001 0.000 0.244 313 R C -0.896 175.292 176.300 -0.186 0.000 1.142 313 R CA 2.019 57.997 56.100 -0.205 0.000 0.953 313 R CB -1.442 28.785 30.300 -0.122 0.000 0.860 313 R HN 0.211 8.481 8.270 0.000 0.000 0.438 314 P HA 0.022 4.442 4.420 0.000 0.000 0.245 314 P C 0.557 177.802 177.300 -0.093 0.000 1.212 314 P CA 0.795 63.838 63.100 -0.096 0.000 0.774 314 P CB 0.150 31.813 31.700 -0.061 0.000 0.999 315 L N -1.586 119.539 121.223 -0.163 0.000 2.145 315 L HA 0.022 4.361 4.340 -0.001 0.000 0.201 315 L C 1.296 178.174 176.870 0.013 0.000 1.075 315 L CA 1.156 55.948 54.840 -0.080 0.000 0.773 315 L CB -0.186 41.827 42.059 -0.076 0.000 0.936 315 L HN 0.074 8.304 8.230 0.000 0.000 0.451 316 Y N -5.786 114.506 120.300 -0.014 0.000 3.091 316 Y HA 0.385 4.935 4.550 -0.000 0.000 0.284 316 Y C 0.978 176.861 175.900 -0.028 0.000 1.048 316 Y CA -0.150 57.941 58.100 -0.015 0.000 1.290 316 Y CB -0.455 38.002 38.460 -0.005 0.000 1.331 316 Y HN -0.044 8.236 8.280 0.000 0.000 0.597 317 S N 0.747 116.324 115.700 -0.204 0.000 1.728 317 S HA -0.361 4.108 4.470 -0.001 0.000 0.226 317 S C -0.002 174.523 174.600 -0.124 0.000 0.868 317 S CA 2.295 60.393 58.200 -0.168 0.000 1.531 317 S CB -1.488 61.624 63.200 -0.147 0.000 2.005 317 S HN 1.001 9.311 8.310 0.000 0.000 0.534 318 N N 0.542 119.306 118.700 0.107 0.000 2.745 318 N HA 0.601 5.340 4.740 -0.001 0.000 0.256 318 N C -3.640 172.079 175.510 0.349 0.000 1.268 318 N CA -1.524 51.640 53.050 0.190 0.000 0.887 318 N CB 1.183 39.708 38.487 0.064 0.000 1.575 318 N HN 0.205 8.585 8.380 0.000 0.000 0.496 319 P HA 0.405 4.825 4.420 0.000 0.000 0.281 319 P C -2.651 174.660 177.300 0.017 0.000 1.249 319 P CA -1.279 61.880 63.100 0.099 0.000 0.810 319 P CB 0.155 31.902 31.700 0.079 0.000 1.008 320 P HA 0.011 4.431 4.420 0.000 0.000 0.269 320 P C 0.415 177.654 177.300 -0.101 0.000 1.209 320 P CA -0.129 62.931 63.100 -0.067 0.000 0.776 320 P CB 0.774 32.416 31.700 -0.098 0.000 0.876 321 L N 3.062 124.234 121.223 -0.085 0.000 2.357 321 L HA 0.102 4.441 4.340 -0.001 0.000 0.211 321 L C 2.063 178.851 176.870 -0.136 0.000 1.075 321 L CA 1.351 56.129 54.840 -0.102 0.000 0.830 321 L CB -1.026 40.998 42.059 -0.058 0.000 0.996 321 L HN 0.207 8.437 8.230 0.000 0.000 0.467 322 N N -0.138 118.490 118.700 -0.120 0.000 2.043 322 N HA -0.151 4.588 4.740 -0.001 0.000 0.193 322 N C 1.851 177.261 175.510 -0.167 0.000 1.037 322 N CA 1.943 54.921 53.050 -0.120 0.000 0.851 322 N CB -0.497 37.935 38.487 -0.092 0.000 1.027 322 N HN 0.428 8.808 8.380 0.000 0.000 0.422 323 G N -0.571 108.108 108.800 -0.202 0.000 2.403 323 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.216 323 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.216 323 G C 1.546 176.209 174.900 -0.396 0.000 1.154 323 G CA 0.785 45.732 45.100 -0.256 0.000 0.784 323 G HN 0.477 8.767 8.290 0.000 0.000 0.538 324 A N 0.799 123.318 122.820 -0.501 0.000 1.940 324 A HA -0.032 4.287 4.320 -0.001 0.000 0.219 324 A C 2.418 179.758 177.584 -0.408 0.000 1.176 324 A CA 1.687 53.278 52.037 -0.743 0.000 0.631 324 A CB -0.365 18.207 19.000 -0.713 0.000 0.814 324 A HN 0.359 8.509 8.150 0.000 0.000 0.446 325 R N -0.733 119.615 120.500 -0.254 0.000 2.075 325 R HA 0.015 4.354 4.340 -0.001 0.000 0.232 325 R C 1.972 178.180 176.300 -0.153 0.000 1.126 325 R CA 1.433 57.440 56.100 -0.156 0.000 0.963 325 R CB -0.416 29.814 30.300 -0.117 0.000 0.858 325 R HN 0.583 8.853 8.270 0.000 0.000 0.435 326 I N 0.385 120.845 120.570 -0.183 0.000 2.142 326 I HA -0.296 3.873 4.170 -0.001 0.000 0.240 326 I C 2.548 178.536 176.117 -0.216 0.000 1.078 326 I CA 1.491 62.686 61.300 -0.176 0.000 1.343 326 I CB -0.355 37.541 38.000 -0.173 0.000 1.046 326 I HN 0.209 8.419 8.210 0.000 0.000 0.405 327 A N 0.492 123.141 122.820 -0.286 0.000 1.898 327 A HA -0.110 4.210 4.320 -0.001 0.000 0.216 327 A C 2.521 179.997 177.584 -0.180 0.000 1.181 327 A CA 1.704 53.548 52.037 -0.323 0.000 0.620 327 A CB -0.888 17.838 19.000 -0.457 0.000 0.819 327 A HN 0.427 8.577 8.150 0.000 0.000 0.442 328 A N -0.940 121.841 122.820 -0.065 0.000 1.902 328 A HA -0.092 4.227 4.320 -0.001 0.000 0.217 328 A C 2.299 179.851 177.584 -0.054 0.000 1.181 328 A CA 2.320 54.356 52.037 -0.002 0.000 0.623 328 A CB -1.313 17.717 19.000 0.050 0.000 0.818 328 A HN 0.422 8.572 8.150 0.000 0.000 0.443 329 T N 0.476 114.984 114.554 -0.077 0.000 2.684 329 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 329 T C 1.804 176.464 174.700 -0.068 0.000 1.036 329 T CA 1.630 63.691 62.100 -0.065 0.000 1.148 329 T CB -0.427 68.400 68.868 -0.069 0.000 0.863 329 T HN 0.438 8.678 8.240 0.000 0.000 0.436 330 I N 0.603 121.103 120.570 -0.116 0.000 2.179 330 I HA -0.128 4.041 4.170 -0.001 0.000 0.242 330 I C 2.299 178.372 176.117 -0.072 0.000 1.088 330 I CA 1.308 62.539 61.300 -0.115 0.000 1.357 330 I CB -0.438 37.402 38.000 -0.266 0.000 1.051 330 I HN 0.200 8.410 8.210 0.000 0.000 0.409 331 L N 0.296 121.448 121.223 -0.118 0.000 2.141 331 L HA -0.159 4.180 4.340 -0.001 0.000 0.209 331 L C 2.305 179.175 176.870 -0.001 0.000 1.094 331 L CA 1.777 56.584 54.840 -0.055 0.000 0.763 331 L CB -0.672 41.335 42.059 -0.087 0.000 0.908 331 L HN 0.444 8.674 8.230 0.000 0.000 0.437 332 T N -5.548 108.998 114.554 -0.013 0.000 3.092 332 T HA 0.081 4.431 4.350 -0.001 0.000 0.258 332 T C 0.650 175.354 174.700 0.006 0.000 1.031 332 T CA -0.165 61.935 62.100 -0.001 0.000 0.925 332 T CB 0.250 69.113 68.868 -0.007 0.000 1.036 332 T HN 0.079 8.319 8.240 0.000 0.000 0.544 333 S N 2.015 117.721 115.700 0.011 0.000 2.448 333 S HA 0.464 4.934 4.470 -0.001 0.000 0.320 333 S C -1.885 172.738 174.600 0.038 0.000 1.071 333 S CA -1.563 56.649 58.200 0.019 0.000 1.113 333 S CB 1.451 64.660 63.200 0.014 0.000 0.972 333 S HN -0.063 8.247 8.310 0.000 0.000 0.465 334 P HA -0.131 4.289 4.420 0.000 0.000 0.216 334 P C 0.668 178.000 177.300 0.053 0.000 1.154 334 P CA 1.306 64.432 63.100 0.044 0.000 0.865 334 P CB 0.119 31.837 31.700 0.030 0.000 0.789 335 D N -1.141 119.286 120.400 0.044 0.000 2.144 335 D HA -0.070 4.570 4.640 -0.001 0.000 0.200 335 D C 2.071 178.411 176.300 0.067 0.000 0.978 335 D CA 0.884 54.913 54.000 0.048 0.000 0.833 335 D CB -0.668 40.153 40.800 0.035 0.000 0.961 335 D HN 0.189 8.559 8.370 0.000 0.000 0.470 336 L N 0.285 121.549 121.223 0.069 0.000 2.109 336 L HA -0.055 4.284 4.340 -0.001 0.000 0.207 336 L C 2.637 179.608 176.870 0.168 0.000 1.086 336 L CA 0.652 55.547 54.840 0.092 0.000 0.760 336 L CB -0.141 41.950 42.059 0.053 0.000 0.910 336 L HN -0.049 8.181 8.230 0.000 0.000 0.437 337 R N 0.667 121.266 120.500 0.165 0.000 2.083 337 R HA -0.244 4.096 4.340 -0.001 0.000 0.237 337 R C 2.354 178.806 176.300 0.253 0.000 1.137 337 R CA 1.909 58.175 56.100 0.277 0.000 0.951 337 R CB -0.087 30.335 30.300 0.203 0.000 0.851 337 R HN 0.197 8.467 8.270 0.000 0.000 0.434 338 K N 0.445 120.926 120.400 0.136 0.000 2.026 338 K HA -0.262 4.058 4.320 -0.001 0.000 0.208 338 K C 2.205 178.845 176.600 0.066 0.000 1.048 338 K CA 1.976 58.307 56.287 0.074 0.000 0.929 338 K CB -0.136 32.393 32.500 0.049 0.000 0.713 338 K HN 0.244 8.494 8.250 0.000 0.000 0.439 339 Q N -0.231 119.628 119.800 0.098 0.000 2.002 339 Q HA -0.237 4.102 4.340 -0.001 0.000 0.204 339 Q C 1.963 178.034 176.000 0.118 0.000 0.988 339 Q CA 2.161 58.020 55.803 0.094 0.000 0.843 339 Q CB -0.490 28.309 28.738 0.102 0.000 0.908 339 Q HN 0.549 8.819 8.270 0.000 0.000 0.420 340 W N 1.365 122.677 121.300 0.020 0.000 2.304 340 W HA -0.263 4.397 4.660 -0.001 0.000 0.315 340 W C 1.610 178.146 176.519 0.029 0.000 1.233 340 W CA 1.936 59.295 57.345 0.023 0.000 1.261 340 W CB -0.641 28.834 29.460 0.025 0.000 1.150 340 W HN 0.253 8.433 8.180 0.000 0.000 0.494 341 L N 0.358 121.373 121.223 -0.348 0.000 2.187 341 L HA -0.277 4.062 4.340 -0.001 0.000 0.213 341 L C 2.587 179.260 176.870 -0.327 0.000 1.100 341 L CA 1.811 56.315 54.840 -0.561 0.000 0.765 341 L CB -0.810 41.052 42.059 -0.328 0.000 0.904 341 L HN 0.192 8.422 8.230 0.000 0.000 0.437 342 Q N -0.457 119.247 119.800 -0.160 0.000 2.137 342 Q HA -0.161 4.179 4.340 -0.001 0.000 0.198 342 Q C 2.035 177.982 176.000 -0.089 0.000 0.960 342 Q CA 1.040 56.783 55.803 -0.100 0.000 0.847 342 Q CB 0.025 28.741 28.738 -0.037 0.000 0.915 342 Q HN 0.494 8.764 8.270 0.000 0.000 0.448 343 E N 0.143 120.309 120.200 -0.056 0.000 2.110 343 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 343 E C 2.032 178.607 176.600 -0.042 0.000 0.988 343 E CA 1.442 57.860 56.400 0.030 0.000 0.804 343 E CB -0.011 29.773 29.700 0.138 0.000 0.745 343 E HN 0.137 8.497 8.360 0.000 0.000 0.458 344 V N 1.612 121.396 119.914 -0.216 0.000 2.261 344 V HA -0.290 3.829 4.120 -0.001 0.000 0.246 344 V C 2.387 178.354 176.094 -0.212 0.000 1.047 344 V CA 1.995 64.152 62.300 -0.239 0.000 1.015 344 V CB -0.542 30.998 31.823 -0.472 0.000 0.642 344 V HN 0.198 8.388 8.190 0.000 0.000 0.446 345 K N 0.519 120.794 120.400 -0.209 0.000 2.074 345 K HA -0.188 4.132 4.320 -0.001 0.000 0.209 345 K C 2.185 178.700 176.600 -0.142 0.000 1.048 345 K CA 1.790 57.978 56.287 -0.165 0.000 0.926 345 K CB -0.711 31.707 32.500 -0.137 0.000 0.713 345 K HN 0.495 8.745 8.250 0.000 0.000 0.444 346 G N 1.231 109.962 108.800 -0.114 0.000 2.491 346 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.218 346 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.218 346 G C 1.479 176.300 174.900 -0.130 0.000 1.180 346 G CA 1.193 46.237 45.100 -0.094 0.000 0.774 346 G HN 0.255 8.545 8.290 0.000 0.000 0.562 347 M N 0.668 120.145 119.600 -0.205 0.000 2.086 347 M HA -0.004 4.476 4.480 -0.001 0.000 0.261 347 M C 3.109 179.208 176.300 -0.335 0.000 1.067 347 M CA 1.398 56.484 55.300 -0.357 0.000 1.116 347 M CB -0.314 31.889 32.600 -0.663 0.000 1.348 347 M HN 0.324 8.614 8.290 0.000 0.000 0.407 348 A N 0.592 123.181 122.820 -0.384 0.000 1.883 348 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 348 A C 1.718 179.181 177.584 -0.201 0.000 1.186 348 A CA 2.194 54.020 52.037 -0.352 0.000 0.624 348 A CB -0.838 18.003 19.000 -0.264 0.000 0.822 348 A HN 0.416 8.566 8.150 0.000 0.000 0.444 349 D N -1.037 119.275 120.400 -0.146 0.000 2.178 349 D HA -0.129 4.510 4.640 -0.001 0.000 0.201 349 D C 2.054 178.310 176.300 -0.074 0.000 0.980 349 D CA 1.129 55.071 54.000 -0.096 0.000 0.842 349 D CB -0.334 40.418 40.800 -0.079 0.000 0.948 349 D HN 0.526 8.896 8.370 0.000 0.000 0.472 350 R N 0.402 120.867 120.500 -0.058 0.000 2.075 350 R HA -0.102 4.237 4.340 -0.001 0.000 0.232 350 R C 2.072 178.352 176.300 -0.034 0.000 1.126 350 R CA 0.712 56.797 56.100 -0.024 0.000 0.963 350 R CB -0.055 30.265 30.300 0.033 0.000 0.858 350 R HN 0.053 8.323 8.270 0.000 0.000 0.435 351 I N 1.267 121.810 120.570 -0.045 0.000 2.127 351 I HA -0.288 3.881 4.170 -0.001 0.000 0.241 351 I C 2.421 178.497 176.117 -0.068 0.000 1.075 351 I CA 1.383 62.642 61.300 -0.069 0.000 1.334 351 I CB -1.016 36.909 38.000 -0.126 0.000 1.040 351 I HN 0.243 8.453 8.210 0.000 0.000 0.405 352 I N 0.510 121.034 120.570 -0.076 0.000 2.163 352 I HA -0.356 3.813 4.170 -0.001 0.000 0.243 352 I C 2.853 178.942 176.117 -0.046 0.000 1.085 352 I CA 1.864 63.130 61.300 -0.057 0.000 1.347 352 I CB -0.369 37.595 38.000 -0.059 0.000 1.044 352 I HN 0.257 8.467 8.210 0.000 0.000 0.408 353 S N 0.657 116.328 115.700 -0.048 0.000 2.370 353 S HA -0.219 4.251 4.470 -0.001 0.000 0.226 353 S C 2.178 176.753 174.600 -0.042 0.000 1.033 353 S CA 1.273 59.448 58.200 -0.042 0.000 1.011 353 S CB -0.097 63.078 63.200 -0.042 0.000 0.852 353 S HN 0.229 8.539 8.310 0.000 0.000 0.457 354 M N 1.315 120.888 119.600 -0.046 0.000 2.117 354 M HA -0.003 4.476 4.480 -0.001 0.000 0.262 354 M C 2.304 178.575 176.300 -0.049 0.000 1.065 354 M CA 1.419 56.690 55.300 -0.048 0.000 1.114 354 M CB -1.457 31.111 32.600 -0.053 0.000 1.361 354 M HN 0.419 8.709 8.290 0.000 0.000 0.408 355 R N -0.683 119.791 120.500 -0.044 0.000 2.070 355 R HA -0.108 4.231 4.340 -0.001 0.000 0.233 355 R C 2.267 178.541 176.300 -0.044 0.000 1.137 355 R CA 1.952 58.028 56.100 -0.040 0.000 0.945 355 R CB -0.934 29.353 30.300 -0.022 0.000 0.845 355 R HN 0.358 8.628 8.270 0.000 0.000 0.430 356 T N 1.464 115.997 114.554 -0.036 0.000 2.607 356 T HA -0.229 4.120 4.350 -0.001 0.000 0.267 356 T C 1.885 176.562 174.700 -0.040 0.000 1.049 356 T CA 1.620 63.701 62.100 -0.032 0.000 1.162 356 T CB -0.240 68.611 68.868 -0.028 0.000 0.863 356 T HN 0.380 8.620 8.240 0.000 0.000 0.424 357 Q N 0.042 119.816 119.800 -0.044 0.000 2.124 357 Q HA -0.045 4.294 4.340 -0.001 0.000 0.202 357 Q C 2.356 178.316 176.000 -0.067 0.000 0.977 357 Q CA 0.904 56.679 55.803 -0.047 0.000 0.850 357 Q CB -0.333 28.380 28.738 -0.041 0.000 0.901 357 Q HN 0.304 8.574 8.270 0.000 0.000 0.429 358 L N 0.234 121.406 121.223 -0.085 0.000 2.017 358 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 358 L C 2.072 178.838 176.870 -0.173 0.000 1.073 358 L CA 1.507 56.265 54.840 -0.136 0.000 0.745 358 L CB -0.457 41.511 42.059 -0.152 0.000 0.894 358 L HN -0.012 8.218 8.230 0.000 0.000 0.432 359 V N -1.084 118.757 119.914 -0.122 0.000 2.427 359 V HA -0.223 3.897 4.120 -0.001 0.000 0.248 359 V C 2.755 178.821 176.094 -0.047 0.000 1.051 359 V CA 1.630 63.881 62.300 -0.082 0.000 1.048 359 V CB -0.893 30.926 31.823 -0.007 0.000 0.666 359 V HN 0.665 8.855 8.190 0.000 0.000 0.456 360 S N 0.730 116.403 115.700 -0.045 0.000 2.355 360 S HA -0.232 4.238 4.470 -0.001 0.000 0.222 360 S C 1.781 176.354 174.600 -0.046 0.000 1.031 360 S CA 2.077 60.258 58.200 -0.031 0.000 0.993 360 S CB -0.709 62.474 63.200 -0.028 0.000 0.859 360 S HN 0.734 9.044 8.310 0.000 0.000 0.453 361 N N 0.551 119.210 118.700 -0.067 0.000 2.309 361 N HA 0.035 4.774 4.740 -0.001 0.000 0.182 361 N C 1.694 177.144 175.510 -0.101 0.000 1.018 361 N CA 1.079 54.085 53.050 -0.074 0.000 0.876 361 N CB -0.210 38.233 38.487 -0.072 0.000 0.972 361 N HN 0.377 8.757 8.380 0.000 0.000 0.434 362 L N 0.870 122.010 121.223 -0.138 0.000 2.156 362 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 362 L C 2.403 179.242 176.870 -0.052 0.000 1.095 362 L CA 0.966 55.715 54.840 -0.153 0.000 0.770 362 L CB -0.099 41.738 42.059 -0.369 0.000 0.914 362 L HN 0.082 8.312 8.230 0.000 0.000 0.439 363 K N 0.190 120.584 120.400 -0.010 0.000 2.001 363 K HA -0.147 4.172 4.320 -0.001 0.000 0.208 363 K C 2.125 178.695 176.600 -0.051 0.000 1.048 363 K CA 1.225 57.513 56.287 0.002 0.000 0.932 363 K CB 0.103 32.615 32.500 0.020 0.000 0.715 363 K HN 0.120 8.370 8.250 0.000 0.000 0.437 364 K N 0.620 120.988 120.400 -0.053 0.000 2.113 364 K HA -0.165 4.154 4.320 -0.001 0.000 0.208 364 K C 1.704 178.250 176.600 -0.090 0.000 1.047 364 K CA 1.090 57.343 56.287 -0.057 0.000 0.928 364 K CB -0.033 32.442 32.500 -0.041 0.000 0.716 364 K HN 0.223 8.473 8.250 0.000 0.000 0.446 365 E N -0.109 120.009 120.200 -0.136 0.000 2.478 365 E HA -0.071 4.279 4.350 -0.001 0.000 0.198 365 E C 0.789 177.132 176.600 -0.428 0.000 1.046 365 E CA 0.674 56.945 56.400 -0.216 0.000 0.870 365 E CB 0.153 29.733 29.700 -0.199 0.000 0.818 365 E HN 0.554 8.914 8.360 0.000 0.000 0.527 366 G N 1.985 110.592 108.800 -0.323 0.000 2.165 366 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.226 366 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.226 366 G C 0.168 174.872 174.900 -0.326 0.000 1.035 366 G CA 0.529 45.465 45.100 -0.274 0.000 0.744 366 G HN 0.245 8.535 8.290 0.000 0.000 0.501 367 S N -0.287 115.260 115.700 -0.256 0.000 2.545 367 S HA 0.633 5.102 4.470 -0.001 0.000 0.275 367 S C 1.712 176.344 174.600 0.053 0.000 1.299 367 S CA 0.706 58.941 58.200 0.058 0.000 1.048 367 S CB 1.071 64.491 63.200 0.367 0.000 0.938 367 S HN 1.297 9.607 8.310 0.000 0.000 0.496 368 S N 3.417 119.087 115.700 -0.049 0.000 2.470 368 S HA 0.116 4.585 4.470 -0.001 0.000 0.222 368 S C 0.473 175.013 174.600 -0.099 0.000 1.024 368 S CA -0.046 58.101 58.200 -0.090 0.000 0.931 368 S CB -0.690 62.433 63.200 -0.128 0.000 0.791 368 S HN 0.883 9.193 8.310 0.000 0.000 0.513 369 H N 2.395 121.446 119.070 -0.031 0.000 2.998 369 H HA 0.174 4.730 4.556 -0.001 0.000 0.353 369 H C 0.380 175.448 175.328 -0.434 0.000 1.099 369 H CA 0.136 56.009 56.048 -0.292 0.000 1.393 369 H CB 0.220 29.665 29.762 -0.529 0.000 1.343 369 H HN 0.179 8.459 8.280 0.000 0.000 0.609 370 N N 2.089 120.622 118.700 -0.278 0.000 2.411 370 N HA -0.047 4.693 4.740 -0.001 0.000 0.259 370 N C -0.861 174.472 175.510 -0.295 0.000 1.103 370 N CA -0.096 52.837 53.050 -0.195 0.000 0.954 370 N CB 0.309 38.751 38.487 -0.075 0.000 1.085 370 N HN 0.589 8.969 8.380 0.000 0.000 0.485 371 W N 2.035 123.383 121.300 0.080 0.000 2.818 371 W HA 0.172 4.832 4.660 -0.001 0.000 0.403 371 W C 1.772 178.183 176.519 -0.180 0.000 0.991 371 W CA -0.471 56.817 57.345 -0.096 0.000 1.925 371 W CB 0.294 29.694 29.460 -0.099 0.000 1.166 371 W HN 0.627 8.807 8.180 0.000 0.000 0.605 372 Q N 0.620 120.496 119.800 0.127 0.000 2.234 372 Q HA -0.294 4.046 4.340 -0.001 0.000 0.206 372 Q C 1.988 178.043 176.000 0.092 0.000 0.980 372 Q CA 2.081 57.938 55.803 0.090 0.000 0.869 372 Q CB -0.881 27.905 28.738 0.080 0.000 0.912 372 Q HN 0.512 8.782 8.270 0.000 0.000 0.436 373 H N 0.882 120.034 119.070 0.138 0.000 2.426 373 H HA -0.113 4.442 4.556 -0.001 0.000 0.298 373 H C 1.858 177.293 175.328 0.180 0.000 1.107 373 H CA 1.435 57.573 56.048 0.150 0.000 1.298 373 H CB -0.505 29.355 29.762 0.163 0.000 1.377 373 H HN 0.384 8.664 8.280 0.000 0.000 0.519 374 I N 1.931 122.382 120.570 -0.197 0.000 2.394 374 I HA -0.178 3.991 4.170 -0.001 0.000 0.251 374 I C 2.173 178.299 176.117 0.015 0.000 1.136 374 I CA 1.803 63.065 61.300 -0.063 0.000 1.425 374 I CB -0.347 37.580 38.000 -0.121 0.000 1.079 374 I HN 0.427 8.637 8.210 0.000 0.000 0.425 375 T N -3.933 110.631 114.554 0.017 0.000 3.037 375 T HA 0.063 4.412 4.350 -0.001 0.000 0.251 375 T C 1.333 176.057 174.700 0.039 0.000 1.079 375 T CA 0.085 62.198 62.100 0.022 0.000 1.067 375 T CB 0.029 68.904 68.868 0.012 0.000 0.948 375 T HN 0.083 8.323 8.240 0.000 0.000 0.496 376 D N 1.729 122.168 120.400 0.065 0.000 2.137 376 D HA 0.055 4.695 4.640 -0.001 0.000 0.202 376 D C 1.194 177.543 176.300 0.082 0.000 0.970 376 D CA 0.678 54.720 54.000 0.070 0.000 0.837 376 D CB -0.236 40.619 40.800 0.092 0.000 0.981 376 D HN 0.543 8.913 8.370 0.000 0.000 0.475 377 Q N -0.108 119.764 119.800 0.120 0.000 2.614 377 Q HA 0.285 4.625 4.340 -0.001 0.000 0.244 377 Q C -0.172 175.883 176.000 0.091 0.000 1.097 377 Q CA 0.526 56.408 55.803 0.132 0.000 0.986 377 Q CB 0.969 29.821 28.738 0.191 0.000 1.308 377 Q HN 0.150 8.420 8.270 0.000 0.000 0.546 378 I N -0.326 120.301 120.570 0.094 0.000 2.722 378 I HA 0.549 4.718 4.170 -0.001 0.000 0.295 378 I C 0.073 176.218 176.117 0.046 0.000 1.161 378 I CA -0.296 61.041 61.300 0.061 0.000 1.032 378 I CB 2.233 40.280 38.000 0.078 0.000 1.244 378 I HN 0.823 9.033 8.210 0.000 0.000 0.421 379 G N 4.688 113.483 108.800 -0.008 0.000 2.685 379 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.387 379 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.387 379 G C 0.136 174.998 174.900 -0.062 0.000 1.324 379 G CA -0.022 45.044 45.100 -0.056 0.000 0.878 379 G HN 0.920 9.210 8.290 0.000 0.000 0.527 380 M N -1.500 118.028 119.600 -0.120 0.000 2.563 380 M HA 0.637 5.117 4.480 -0.001 0.000 0.231 380 M C -0.280 175.766 176.300 -0.424 0.000 1.136 380 M CA 0.617 55.779 55.300 -0.230 0.000 1.026 380 M CB 0.081 32.590 32.600 -0.151 0.000 1.597 380 M HN 0.250 8.540 8.290 0.000 0.000 0.495 381 F N 0.580 120.575 119.950 0.075 0.000 2.529 381 F HA 0.560 5.087 4.527 -0.001 0.000 0.320 381 F C -0.589 175.303 175.800 0.153 0.000 1.118 381 F CA -1.557 56.514 58.000 0.117 0.000 0.915 381 F CB 1.734 40.802 39.000 0.114 0.000 1.161 381 F HN 0.063 8.363 8.300 0.000 0.000 0.445 382 C N 4.999 124.547 119.300 0.412 0.000 2.397 382 C HA 0.624 5.084 4.460 -0.001 0.000 0.325 382 C C -1.045 174.226 174.990 0.469 0.000 1.201 382 C CA -0.881 58.354 59.018 0.362 0.000 1.377 382 C CB -0.614 27.266 27.740 0.234 0.000 2.038 382 C HN 0.618 8.848 8.230 0.000 0.000 0.457 383 F N 5.191 125.262 119.950 0.202 0.000 2.413 383 F HA 0.276 4.803 4.527 -0.001 0.000 0.359 383 F C 1.924 177.905 175.800 0.301 0.000 1.122 383 F CA 0.136 58.233 58.000 0.161 0.000 1.160 383 F CB 1.451 40.450 39.000 -0.003 0.000 1.146 383 F HN 0.794 9.094 8.300 0.000 0.000 0.514 384 T N -0.510 114.206 114.554 0.269 0.000 3.067 384 T HA 0.206 4.556 4.350 -0.001 0.000 0.261 384 T C 1.758 176.749 174.700 0.485 0.000 1.110 384 T CA 0.671 63.026 62.100 0.426 0.000 1.113 384 T CB -0.176 68.844 68.868 0.253 0.000 0.917 384 T HN 0.927 9.167 8.240 0.000 0.000 0.499 385 G N 1.240 110.157 108.800 0.194 0.000 2.199 385 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.254 385 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.254 385 G C 0.045 174.972 174.900 0.045 0.000 0.982 385 G CA 0.058 45.203 45.100 0.075 0.000 0.632 385 G HN 0.632 8.922 8.290 0.000 0.000 0.529 386 L N 1.133 122.405 121.223 0.082 0.000 2.514 386 L HA 0.219 4.559 4.340 -0.001 0.000 0.280 386 L C 1.159 178.017 176.870 -0.021 0.000 1.223 386 L CA 0.374 55.238 54.840 0.041 0.000 0.864 386 L CB 0.327 42.409 42.059 0.038 0.000 1.118 386 L HN 0.126 8.356 8.230 0.000 0.000 0.494 387 K N 3.567 123.958 120.400 -0.016 0.000 2.090 387 K HA 0.255 4.574 4.320 -0.001 0.000 0.249 387 K C -1.687 174.899 176.600 -0.023 0.000 0.995 387 K CA -1.710 54.563 56.287 -0.023 0.000 0.914 387 K CB 0.803 33.292 32.500 -0.018 0.000 1.057 387 K HN 0.211 8.461 8.250 0.000 0.000 0.462 388 P HA -0.260 4.160 4.420 0.000 0.000 0.216 388 P C 1.121 178.416 177.300 -0.008 0.000 1.153 388 P CA 1.521 64.611 63.100 -0.017 0.000 0.858 388 P CB 0.180 31.874 31.700 -0.010 0.000 0.789 389 E N 0.374 120.572 120.200 -0.004 0.000 2.106 389 E HA -0.215 4.134 4.350 -0.001 0.000 0.192 389 E C 1.875 178.477 176.600 0.004 0.000 0.984 389 E CA 1.287 57.688 56.400 0.001 0.000 0.806 389 E CB -1.162 28.540 29.700 0.003 0.000 0.750 389 E HN 0.361 8.721 8.360 0.000 0.000 0.458 390 Q N 0.713 120.514 119.800 0.001 0.000 2.124 390 Q HA -0.073 4.266 4.340 -0.001 0.000 0.202 390 Q C 2.476 178.474 176.000 -0.004 0.000 0.977 390 Q CA 1.675 57.480 55.803 0.002 0.000 0.850 390 Q CB -0.060 28.680 28.738 0.003 0.000 0.901 390 Q HN 0.158 8.428 8.270 0.000 0.000 0.429 391 V N 0.996 120.903 119.914 -0.011 0.000 2.427 391 V HA -0.235 3.885 4.120 -0.001 0.000 0.248 391 V C 1.865 177.951 176.094 -0.014 0.000 1.051 391 V CA 1.763 64.053 62.300 -0.018 0.000 1.048 391 V CB -0.425 31.384 31.823 -0.023 0.000 0.666 391 V HN 0.341 8.531 8.190 0.000 0.000 0.456 392 E N -0.165 120.033 120.200 -0.005 0.000 2.085 392 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 392 E C 2.523 179.126 176.600 0.004 0.000 0.994 392 E CA 1.241 57.639 56.400 -0.002 0.000 0.801 392 E CB -0.139 29.564 29.700 0.005 0.000 0.743 392 E HN 0.509 8.869 8.360 0.000 0.000 0.453 393 R N 0.288 120.802 120.500 0.024 0.000 2.066 393 R HA -0.105 4.234 4.340 -0.001 0.000 0.232 393 R C 2.535 178.912 176.300 0.128 0.000 1.131 393 R CA 0.939 57.077 56.100 0.063 0.000 0.955 393 R CB -0.416 29.929 30.300 0.075 0.000 0.851 393 R HN 0.175 8.445 8.270 0.000 0.000 0.432 394 L N 0.017 121.300 121.223 0.100 0.000 2.043 394 L HA -0.249 4.090 4.340 -0.001 0.000 0.212 394 L C 2.436 179.331 176.870 0.042 0.000 1.075 394 L CA 1.525 56.431 54.840 0.109 0.000 0.752 394 L CB -0.595 41.452 42.059 -0.021 0.000 0.891 394 L HN 0.253 8.483 8.230 0.000 0.000 0.432 395 T N -0.617 113.885 114.554 -0.087 0.000 2.701 395 T HA -0.155 4.195 4.350 -0.001 0.000 0.263 395 T C 1.905 176.513 174.700 -0.153 0.000 1.040 395 T CA 1.354 63.286 62.100 -0.280 0.000 1.147 395 T CB 0.003 68.685 68.868 -0.310 0.000 0.865 395 T HN 0.293 8.533 8.240 0.000 0.000 0.426 396 K N 0.912 121.278 120.400 -0.058 0.000 2.025 396 K HA -0.030 4.289 4.320 -0.001 0.000 0.207 396 K C 2.353 178.917 176.600 -0.060 0.000 1.049 396 K CA 1.260 57.526 56.287 -0.036 0.000 0.933 396 K CB -0.039 32.449 32.500 -0.021 0.000 0.714 396 K HN 0.348 8.598 8.250 0.000 0.000 0.438 397 E N -0.705 119.450 120.200 -0.074 0.000 2.250 397 E HA 0.012 4.362 4.350 -0.001 0.000 0.192 397 E C 0.657 176.943 176.600 -0.523 0.000 0.986 397 E CA 0.715 56.925 56.400 -0.316 0.000 0.849 397 E CB 0.294 29.758 29.700 -0.393 0.000 0.797 397 E HN 0.217 8.577 8.360 0.000 0.000 0.482 398 F N -0.945 119.014 119.950 0.015 0.000 2.781 398 F HA 0.275 4.802 4.527 -0.001 0.000 0.322 398 F C 0.496 176.401 175.800 0.175 0.000 1.108 398 F CA -0.345 57.717 58.000 0.103 0.000 1.179 398 F CB 0.952 39.940 39.000 -0.020 0.000 1.072 398 F HN -0.314 7.986 8.300 0.000 0.000 0.545 399 S N 0.908 116.707 115.700 0.165 0.000 3.581 399 S HA -0.147 4.323 4.470 -0.001 0.000 0.354 399 S C -0.039 174.660 174.600 0.165 0.000 1.059 399 S CA 0.248 58.520 58.200 0.121 0.000 1.060 399 S CB -1.520 61.842 63.200 0.269 0.000 0.908 399 S HN 0.089 8.399 8.310 0.000 0.000 0.475 400 V N 2.285 122.224 119.914 0.041 0.000 2.333 400 V HA 0.362 4.482 4.120 -0.001 0.000 0.274 400 V C -0.130 175.898 176.094 -0.108 0.000 1.028 400 V CA -0.382 61.969 62.300 0.086 0.000 0.851 400 V CB 0.423 32.301 31.823 0.092 0.000 1.000 400 V HN 0.400 8.590 8.190 0.000 0.000 0.456 401 Y N 6.626 127.012 120.300 0.143 0.000 2.341 401 Y HA 0.753 5.303 4.550 -0.001 0.000 0.340 401 Y C 0.377 176.304 175.900 0.046 0.000 0.997 401 Y CA -0.534 57.630 58.100 0.107 0.000 1.149 401 Y CB 1.402 39.954 38.460 0.153 0.000 1.171 401 Y HN 0.731 9.011 8.280 0.000 0.000 0.494 402 M N -0.079 119.613 119.600 0.155 0.000 2.732 402 M HA 0.510 4.990 4.480 -0.001 0.000 0.272 402 M C -0.937 175.406 176.300 0.071 0.000 1.203 402 M CA -1.123 54.234 55.300 0.096 0.000 0.841 402 M CB 1.642 34.274 32.600 0.055 0.000 1.685 402 M HN 0.400 8.690 8.290 0.000 0.000 0.492 403 T N -0.892 113.693 114.554 0.052 0.000 2.900 403 T HA 0.314 4.663 4.350 -0.001 0.000 0.307 403 T C 0.756 175.447 174.700 -0.015 0.000 1.065 403 T CA -0.711 61.404 62.100 0.026 0.000 1.105 403 T CB 0.680 69.562 68.868 0.023 0.000 0.979 403 T HN 0.720 8.960 8.240 0.000 0.000 0.544 404 K N 1.267 121.659 120.400 -0.014 0.000 2.442 404 K HA -0.085 4.235 4.320 -0.001 0.000 0.198 404 K C 1.321 177.876 176.600 -0.075 0.000 1.044 404 K CA 0.971 57.239 56.287 -0.032 0.000 0.948 404 K CB -0.391 32.102 32.500 -0.012 0.000 0.762 404 K HN 0.852 9.102 8.250 0.000 0.000 0.472 405 D N -0.438 119.893 120.400 -0.116 0.000 2.349 405 D HA 0.013 4.652 4.640 -0.001 0.000 0.224 405 D C 1.085 177.096 176.300 -0.482 0.000 1.029 405 D CA 0.667 54.529 54.000 -0.230 0.000 0.879 405 D CB -0.137 40.563 40.800 -0.166 0.000 0.906 405 D HN 0.192 8.562 8.370 0.000 0.000 0.528 406 G N 0.582 109.195 108.800 -0.313 0.000 2.148 406 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.254 406 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.254 406 G C 0.243 174.952 174.900 -0.318 0.000 0.981 406 G CA 0.050 44.975 45.100 -0.292 0.000 0.670 406 G HN 0.592 8.882 8.290 0.000 0.000 0.528 407 R N 0.637 120.946 120.500 -0.318 0.000 2.389 407 R HA 0.562 4.901 4.340 -0.001 0.000 0.295 407 R C 0.813 177.171 176.300 0.098 0.000 1.075 407 R CA -0.193 55.887 56.100 -0.033 0.000 1.005 407 R CB 0.126 30.509 30.300 0.140 0.000 0.987 407 R HN 0.663 8.933 8.270 0.000 0.000 0.452 408 I N 0.135 120.815 120.570 0.183 0.000 2.603 408 I HA 0.361 4.530 4.170 -0.001 0.000 0.300 408 I C -0.340 175.940 176.117 0.271 0.000 1.017 408 I CA -0.722 60.681 61.300 0.172 0.000 1.098 408 I CB 2.228 40.284 38.000 0.093 0.000 1.279 408 I HN 0.406 8.616 8.210 0.000 0.000 0.437 409 S N 3.943 119.777 115.700 0.224 0.000 2.400 409 S HA 0.247 4.717 4.470 -0.001 0.000 0.295 409 S C 0.949 175.548 174.600 -0.002 0.000 1.113 409 S CA -0.681 57.590 58.200 0.119 0.000 1.064 409 S CB 0.665 63.944 63.200 0.131 0.000 0.990 409 S HN 0.559 8.869 8.310 0.000 0.000 0.502 410 V N 5.450 125.341 119.914 -0.038 0.000 2.982 410 V HA -0.153 3.967 4.120 -0.001 0.000 0.265 410 V C 2.524 178.566 176.094 -0.086 0.000 1.122 410 V CA 1.919 64.190 62.300 -0.048 0.000 1.143 410 V CB -1.421 30.378 31.823 -0.040 0.000 0.726 410 V HN 0.936 9.126 8.190 0.000 0.000 0.507 411 A N 0.578 123.329 122.820 -0.116 0.000 2.119 411 A HA 0.083 4.402 4.320 -0.001 0.000 0.217 411 A C 2.297 179.783 177.584 -0.163 0.000 1.153 411 A CA 1.290 53.227 52.037 -0.168 0.000 0.692 411 A CB -0.578 18.331 19.000 -0.152 0.000 0.799 411 A HN 0.528 8.678 8.150 0.000 0.000 0.458 412 G N -0.662 108.074 108.800 -0.106 0.000 2.572 412 G HA2 0.259 4.218 3.960 -0.001 0.000 0.216 412 G HA3 0.259 4.218 3.960 -0.001 0.000 0.216 412 G C 0.485 175.345 174.900 -0.065 0.000 1.133 412 G CA 0.583 45.627 45.100 -0.094 0.000 0.791 412 G HN 0.263 8.553 8.290 0.000 0.000 0.538 413 V N 2.045 121.921 119.914 -0.062 0.000 2.530 413 V HA 0.460 4.580 4.120 -0.001 0.000 0.282 413 V C 0.610 176.668 176.094 -0.060 0.000 1.048 413 V CA -0.202 62.072 62.300 -0.045 0.000 0.997 413 V CB 0.673 32.470 31.823 -0.042 0.000 0.987 413 V HN 0.338 8.528 8.190 0.000 0.000 0.477 414 T N 0.125 114.656 114.554 -0.038 0.000 2.930 414 T HA 0.358 4.707 4.350 -0.001 0.000 0.290 414 T C 1.223 175.906 174.700 -0.028 0.000 1.052 414 T CA 0.017 62.092 62.100 -0.043 0.000 1.017 414 T CB 1.683 70.531 68.868 -0.035 0.000 1.137 414 T HN 0.702 8.942 8.240 0.000 0.000 0.511 415 S N 0.662 116.344 115.700 -0.030 0.000 2.402 415 S HA -0.050 4.419 4.470 -0.001 0.000 0.233 415 S C 2.252 176.846 174.600 -0.010 0.000 1.030 415 S CA 1.256 59.443 58.200 -0.021 0.000 1.003 415 S CB -1.436 61.750 63.200 -0.024 0.000 0.813 415 S HN 1.105 9.415 8.310 0.000 0.000 0.477 416 G N 2.840 111.635 108.800 -0.009 0.000 2.422 416 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.218 416 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.218 416 G C 1.309 176.217 174.900 0.014 0.000 1.140 416 G CA 0.902 46.001 45.100 -0.002 0.000 0.775 416 G HN 0.803 9.093 8.290 0.000 0.000 0.545 417 N N -0.605 118.110 118.700 0.025 0.000 2.205 417 N HA 0.098 4.838 4.740 -0.001 0.000 0.201 417 N C 1.479 177.049 175.510 0.100 0.000 1.128 417 N CA 0.428 53.521 53.050 0.071 0.000 0.867 417 N CB 0.236 38.766 38.487 0.070 0.000 0.996 417 N HN 0.067 8.447 8.380 0.000 0.000 0.503 418 V N 0.519 120.459 119.914 0.043 0.000 2.343 418 V HA -0.039 4.080 4.120 -0.001 0.000 0.247 418 V C 2.052 178.159 176.094 0.022 0.000 1.051 418 V CA 2.329 64.639 62.300 0.016 0.000 1.036 418 V CB -0.993 30.820 31.823 -0.017 0.000 0.654 418 V HN 0.455 8.645 8.190 0.000 0.000 0.451 419 G N -1.649 107.177 108.800 0.043 0.000 2.421 419 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.216 419 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.216 419 G C 1.546 176.498 174.900 0.087 0.000 1.171 419 G CA 1.166 46.291 45.100 0.041 0.000 0.775 419 G HN 0.629 8.919 8.290 0.000 0.000 0.543 420 Y N 0.798 121.108 120.300 0.018 0.000 2.207 420 Y HA -0.112 4.437 4.550 -0.001 0.000 0.287 420 Y C 2.438 178.367 175.900 0.049 0.000 1.156 420 Y CA 1.671 59.808 58.100 0.063 0.000 1.182 420 Y CB -0.224 38.275 38.460 0.066 0.000 0.979 420 Y HN 0.154 8.434 8.280 0.000 0.000 0.521 421 L N 0.724 121.980 121.223 0.055 0.000 2.027 421 L HA -0.051 4.288 4.340 -0.001 0.000 0.206 421 L C 2.505 179.251 176.870 -0.206 0.000 1.074 421 L CA 2.160 56.947 54.840 -0.088 0.000 0.745 421 L CB -1.464 40.584 42.059 -0.018 0.000 0.898 421 L HN 0.234 8.464 8.230 0.000 0.000 0.433 422 A N -1.191 121.540 122.820 -0.148 0.000 1.917 422 A HA -0.352 3.967 4.320 -0.001 0.000 0.219 422 A C 2.291 179.780 177.584 -0.158 0.000 1.182 422 A CA 2.124 54.053 52.037 -0.180 0.000 0.633 422 A CB -1.157 17.769 19.000 -0.123 0.000 0.819 422 A HN 0.770 8.920 8.150 0.000 0.000 0.448 423 H N -0.219 118.711 119.070 -0.233 0.000 2.270 423 H HA 0.061 4.616 4.556 -0.001 0.000 0.299 423 H C 2.263 177.331 175.328 -0.433 0.000 1.077 423 H CA 2.161 58.072 56.048 -0.228 0.000 1.294 423 H CB -0.440 29.212 29.762 -0.182 0.000 1.371 423 H HN 0.374 8.654 8.280 0.000 0.000 0.491 424 A N 0.822 123.180 122.820 -0.770 0.000 1.892 424 A HA -0.175 4.145 4.320 -0.001 0.000 0.218 424 A C 2.651 179.681 177.584 -0.925 0.000 1.188 424 A CA 1.965 53.177 52.037 -1.375 0.000 0.631 424 A CB -1.044 17.249 19.000 -1.179 0.000 0.822 424 A HN 0.542 8.692 8.150 0.000 0.000 0.447 425 I N -1.499 118.753 120.570 -0.531 0.000 2.179 425 I HA -0.293 3.876 4.170 -0.001 0.000 0.242 425 I C 2.557 178.552 176.117 -0.203 0.000 1.088 425 I CA 1.949 63.047 61.300 -0.336 0.000 1.357 425 I CB -0.507 37.281 38.000 -0.353 0.000 1.051 425 I HN 0.611 8.821 8.210 0.000 0.000 0.409 426 H N 0.906 119.818 119.070 -0.263 0.000 2.352 426 H HA -0.194 4.361 4.556 -0.001 0.000 0.299 426 H C 2.247 177.484 175.328 -0.153 0.000 1.097 426 H CA 1.724 57.699 56.048 -0.122 0.000 1.311 426 H CB -0.014 29.678 29.762 -0.116 0.000 1.377 426 H HN 0.208 8.488 8.280 0.000 0.000 0.504 427 Q N 0.028 119.537 119.800 -0.485 0.000 2.061 427 Q HA -0.114 4.226 4.340 -0.001 0.000 0.204 427 Q C 2.540 178.377 176.000 -0.273 0.000 0.984 427 Q CA 1.966 57.501 55.803 -0.445 0.000 0.846 427 Q CB -0.690 27.789 28.738 -0.433 0.000 0.902 427 Q HN 0.619 8.889 8.270 0.000 0.000 0.421 428 V N -1.415 118.351 119.914 -0.245 0.000 3.461 428 V HA 0.017 4.136 4.120 -0.001 0.000 0.267 428 V C 1.667 177.739 176.094 -0.038 0.000 1.186 428 V CA 1.630 63.875 62.300 -0.093 0.000 1.154 428 V CB -0.535 31.248 31.823 -0.066 0.000 0.802 428 V HN 0.387 8.577 8.190 0.000 0.000 0.474 429 T N -1.946 112.596 114.554 -0.021 0.000 2.971 429 T HA 0.214 4.564 4.350 -0.001 0.000 0.252 429 T C 1.019 175.821 174.700 0.169 0.000 1.022 429 T CA 0.210 62.393 62.100 0.138 0.000 0.980 429 T CB -0.063 69.008 68.868 0.339 0.000 1.044 429 T HN 0.787 9.027 8.240 0.000 0.000 0.501 430 K N 0.000 120.347 120.400 -0.088 0.000 2.780 430 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 430 K CA 0.000 56.196 56.287 -0.151 0.000 0.838 430 K CB 0.000 32.247 32.500 -0.421 0.000 1.064 430 K HN 0.000 8.250 8.250 0.000 0.000 0.543