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 3gd6_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKITDLELHA VGIPRHTGFV NKHVIVKIHT DEGLTGIGEM SDFSHLPLYS DATA SEQUENCE VDLHDLKQGL LSILLGQNPF DLMKINKELT DNFPETMYYY EKGSFIRNGI DATA SEQUENCE DNALHDLCAK YLDISVSDFL GGRVKEKIKV CYPIFRHRFS EEVESNLDVV DATA SEQUENCE RQKLEQGFDV FRLYVGKNLD ADEEFLSRVK EEFGSRVRIK SYDFSHLLNW DATA SEQUENCE KDAHRAIKRL TKYDLGLEMI ESPAPRNDFD GLYQLRLKTD YPISEHVWSF DATA SEQUENCE KQQQEMIKKD AIDIFNISPV FIGGLTSAKK AAYAAEVASK DVVLGTTQEL DATA SEQUENCE SVGTAAMAHL GCSLTNINHT SDPTGPELYV GDVVKNRVTY KDGYLYAPDR DATA SEQUENCE SVKGLGIELD ESLLAKYQVP DLSW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.273 176.300 -0.045 0.000 1.140 1 M CA 0.000 55.230 55.300 -0.117 0.000 0.988 1 M CB 0.000 32.571 32.600 -0.048 0.000 1.302 2 K N 1.882 122.267 120.400 -0.024 0.000 2.443 2 K HA 0.583 4.903 4.320 -0.001 0.000 0.252 2 K C -0.997 175.601 176.600 -0.003 0.000 0.933 2 K CA -0.583 55.700 56.287 -0.007 0.000 0.792 2 K CB 2.858 35.362 32.500 0.006 0.000 1.185 2 K HN 0.158 8.408 8.250 -0.000 0.000 0.425 3 I N 2.584 123.151 120.570 -0.005 0.000 2.618 3 I HA -0.073 4.096 4.170 -0.001 0.000 0.284 3 I C 1.392 177.521 176.117 0.020 0.000 1.146 3 I CA 0.585 61.887 61.300 0.003 0.000 1.425 3 I CB 0.778 38.774 38.000 -0.007 0.000 1.383 3 I HN 0.847 9.057 8.210 -0.000 0.000 0.562 4 T N -0.299 114.279 114.554 0.041 0.000 2.955 4 T HA 0.225 4.575 4.350 -0.001 0.000 0.251 4 T C 0.054 174.789 174.700 0.057 0.000 1.002 4 T CA -0.184 61.943 62.100 0.045 0.000 0.970 4 T CB 0.397 69.292 68.868 0.045 0.000 1.091 4 T HN 0.600 8.840 8.240 -0.000 0.000 0.495 5 D N -0.622 119.832 120.400 0.088 0.000 2.671 5 D HA 0.617 5.256 4.640 -0.001 0.000 0.273 5 D C -2.299 174.037 176.300 0.060 0.000 1.264 5 D CA -0.674 53.385 54.000 0.099 0.000 0.788 5 D CB 1.956 42.853 40.800 0.162 0.000 1.324 5 D HN 0.192 8.562 8.370 -0.000 0.000 0.424 6 L N 0.601 121.838 121.223 0.023 0.000 2.445 6 L HA 0.617 4.956 4.340 -0.001 0.000 0.262 6 L C -1.514 175.305 176.870 -0.084 0.000 0.974 6 L CA -0.196 54.602 54.840 -0.070 0.000 0.822 6 L CB 2.071 44.093 42.059 -0.062 0.000 1.339 6 L HN 0.439 8.669 8.230 -0.000 0.000 0.409 7 E N 5.376 125.480 120.200 -0.160 0.000 2.210 7 E HA 0.576 4.926 4.350 -0.001 0.000 0.266 7 E C -1.453 174.966 176.600 -0.303 0.000 0.883 7 E CA -0.648 55.610 56.400 -0.237 0.000 0.761 7 E CB 2.436 32.049 29.700 -0.145 0.000 1.156 7 E HN 0.510 8.870 8.360 -0.000 0.000 0.412 8 L N 4.009 124.983 121.223 -0.414 0.000 2.377 8 L HA 0.368 4.708 4.340 -0.001 0.000 0.270 8 L C -0.874 175.782 176.870 -0.356 0.000 0.991 8 L CA -0.676 54.001 54.840 -0.273 0.000 0.851 8 L CB 0.851 42.818 42.059 -0.153 0.000 1.218 8 L HN 0.441 8.671 8.230 -0.000 0.000 0.420 9 H N 2.599 121.664 119.070 -0.008 0.000 2.511 9 H HA 0.499 5.054 4.556 -0.001 0.000 0.328 9 H C -0.127 175.193 175.328 -0.013 0.000 1.044 9 H CA -0.565 55.478 56.048 -0.009 0.000 1.212 9 H CB 2.079 31.842 29.762 0.001 0.000 1.428 9 H HN 0.656 8.936 8.280 -0.000 0.000 0.483 10 A N 3.367 126.241 122.820 0.089 0.000 2.388 10 A HA 0.521 4.840 4.320 -0.001 0.000 0.257 10 A C 0.318 177.923 177.584 0.034 0.000 1.095 10 A CA -0.397 51.654 52.037 0.024 0.000 0.791 10 A CB 0.222 19.199 19.000 -0.038 0.000 1.029 10 A HN 0.511 8.661 8.150 -0.000 0.000 0.489 11 V N -0.480 119.446 119.914 0.020 0.000 3.007 11 V HA 0.954 5.073 4.120 -0.001 0.000 0.311 11 V C -0.034 176.043 176.094 -0.028 0.000 1.120 11 V CA -0.128 62.174 62.300 0.002 0.000 0.980 11 V CB 1.702 33.508 31.823 -0.029 0.000 1.033 11 V HN 1.483 9.673 8.190 -0.000 0.000 0.429 12 G N 2.830 111.619 108.800 -0.019 0.000 2.644 12 G HA2 0.688 4.647 3.960 -0.001 0.000 0.300 12 G HA3 0.688 4.647 3.960 -0.001 0.000 0.300 12 G C -1.431 173.417 174.900 -0.086 0.000 1.395 12 G CA -0.521 44.555 45.100 -0.039 0.000 0.964 12 G HN 0.634 8.924 8.290 -0.000 0.000 0.511 13 I N 3.635 124.048 120.570 -0.262 0.000 2.330 13 I HA 0.322 4.491 4.170 -0.001 0.000 0.289 13 I C -2.200 173.893 176.117 -0.041 0.000 1.001 13 I CA -2.667 58.389 61.300 -0.406 0.000 1.193 13 I CB 2.146 39.591 38.000 -0.926 0.000 1.345 13 I HN 0.192 8.402 8.210 -0.000 0.000 0.461 14 P HA 0.178 4.598 4.420 -0.000 0.000 0.267 14 P C -0.353 177.096 177.300 0.247 0.000 1.205 14 P CA -0.114 63.081 63.100 0.158 0.000 0.765 14 P CB 0.461 32.248 31.700 0.144 0.000 0.828 15 R N 1.854 122.493 120.500 0.233 0.000 2.583 15 R HA 0.216 4.556 4.340 -0.001 0.000 0.268 15 R C 1.293 177.683 176.300 0.150 0.000 1.101 15 R CA -0.531 55.631 56.100 0.103 0.000 1.180 15 R CB 0.117 30.394 30.300 -0.039 0.000 1.128 15 R HN 0.624 8.894 8.270 -0.000 0.000 0.568 16 H N -0.422 118.640 119.070 -0.013 0.000 2.568 16 H HA -0.077 4.478 4.556 -0.001 0.000 0.281 16 H C 1.124 176.448 175.328 -0.007 0.000 1.028 16 H CA 1.072 57.120 56.048 -0.001 0.000 1.199 16 H CB 0.097 29.852 29.762 -0.012 0.000 1.352 16 H HN 0.619 8.899 8.280 -0.000 0.000 0.605 17 T N -4.847 109.766 114.554 0.099 0.000 3.010 17 T HA 0.352 4.701 4.350 -0.001 0.000 0.257 17 T C 1.765 176.518 174.700 0.088 0.000 1.020 17 T CA 0.385 62.518 62.100 0.056 0.000 0.938 17 T CB 0.930 69.790 68.868 -0.012 0.000 1.049 17 T HN 0.436 8.676 8.240 -0.000 0.000 0.522 18 G N 1.277 110.146 108.800 0.114 0.000 2.317 18 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.227 18 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.227 18 G C -0.103 174.868 174.900 0.118 0.000 1.042 18 G CA -0.158 45.003 45.100 0.101 0.000 0.623 18 G HN 0.619 8.909 8.290 -0.000 0.000 0.509 19 F N 2.260 122.210 119.950 -0.000 0.000 2.563 19 F HA 0.480 5.007 4.527 -0.000 0.000 0.363 19 F C 0.570 176.382 175.800 0.019 0.000 1.123 19 F CA 0.058 58.055 58.000 -0.005 0.000 1.307 19 F CB 0.994 39.970 39.000 -0.040 0.000 1.115 19 F HN 0.133 8.433 8.300 -0.000 0.000 0.592 20 V N 6.388 126.181 119.914 -0.202 0.000 2.384 20 V HA 0.285 4.404 4.120 -0.001 0.000 0.287 20 V C -0.375 175.783 176.094 0.108 0.000 1.020 20 V CA -1.097 61.206 62.300 0.004 0.000 0.850 20 V CB 1.325 33.087 31.823 -0.101 0.000 0.987 20 V HN 0.653 8.843 8.190 -0.000 0.000 0.436 21 N N 3.883 122.767 118.700 0.306 0.000 2.498 21 N HA 0.384 5.123 4.740 -0.001 0.000 0.287 21 N C -0.425 175.207 175.510 0.203 0.000 1.097 21 N CA -0.391 52.824 53.050 0.275 0.000 0.973 21 N CB 1.690 40.391 38.487 0.357 0.000 1.153 21 N HN 0.572 8.952 8.380 -0.000 0.000 0.472 22 K N 1.844 122.296 120.400 0.087 0.000 2.185 22 K HA 0.362 4.681 4.320 -0.001 0.000 0.269 22 K C -0.361 176.344 176.600 0.175 0.000 0.987 22 K CA -0.443 55.902 56.287 0.096 0.000 0.865 22 K CB 1.281 33.736 32.500 -0.076 0.000 1.090 22 K HN 0.548 8.798 8.250 -0.000 0.000 0.450 23 H N 0.035 119.088 119.070 -0.029 0.000 2.797 23 H HA 0.489 5.044 4.556 -0.001 0.000 0.362 23 H C -0.841 174.510 175.328 0.038 0.000 1.183 23 H CA -1.410 54.663 56.048 0.042 0.000 1.197 23 H CB 2.121 31.851 29.762 -0.054 0.000 1.835 23 H HN 0.134 8.414 8.280 -0.000 0.000 0.567 24 V N 2.864 122.923 119.914 0.241 0.000 2.531 24 V HA 0.156 4.275 4.120 -0.001 0.000 0.301 24 V C -0.308 175.852 176.094 0.111 0.000 1.034 24 V CA -0.728 61.651 62.300 0.132 0.000 0.865 24 V CB 1.755 33.655 31.823 0.128 0.000 0.995 24 V HN 0.478 8.668 8.190 -0.000 0.000 0.424 25 I N 5.502 126.121 120.570 0.081 0.000 2.315 25 I HA 0.364 4.534 4.170 -0.001 0.000 0.291 25 I C 0.118 176.257 176.117 0.036 0.000 1.006 25 I CA -0.263 61.075 61.300 0.064 0.000 1.265 25 I CB 1.518 39.562 38.000 0.073 0.000 1.387 25 I HN 0.248 8.458 8.210 -0.000 0.000 0.475 26 V N 7.775 127.696 119.914 0.011 0.000 2.481 26 V HA 0.409 4.529 4.120 -0.001 0.000 0.286 26 V C 0.215 176.274 176.094 -0.059 0.000 1.042 26 V CA -0.774 61.506 62.300 -0.033 0.000 0.928 26 V CB 1.711 33.517 31.823 -0.028 0.000 0.986 26 V HN 0.609 8.799 8.190 -0.000 0.000 0.462 27 K N 5.039 125.362 120.400 -0.128 0.000 2.545 27 K HA 0.591 4.910 4.320 -0.001 0.000 0.252 27 K C -1.352 175.017 176.600 -0.385 0.000 0.948 27 K CA -0.432 55.717 56.287 -0.231 0.000 0.827 27 K CB 2.154 34.514 32.500 -0.232 0.000 1.128 27 K HN 0.531 8.781 8.250 -0.000 0.000 0.429 28 I N 4.311 124.694 120.570 -0.312 0.000 2.330 28 I HA 0.237 4.407 4.170 -0.001 0.000 0.289 28 I C 0.073 176.030 176.117 -0.267 0.000 1.001 28 I CA -0.789 60.358 61.300 -0.256 0.000 1.193 28 I CB 0.672 38.596 38.000 -0.125 0.000 1.345 28 I HN 0.449 8.659 8.210 -0.000 0.000 0.461 29 H N 3.920 122.984 119.070 -0.010 0.000 2.496 29 H HA 0.563 5.118 4.556 -0.001 0.000 0.342 29 H C 0.079 175.401 175.328 -0.010 0.000 1.170 29 H CA -0.405 55.640 56.048 -0.005 0.000 1.274 29 H CB 1.981 31.744 29.762 0.002 0.000 1.538 29 H HN 0.575 8.855 8.280 -0.000 0.000 0.542 30 T N -2.336 112.301 114.554 0.138 0.000 2.887 30 T HA 0.102 4.451 4.350 -0.001 0.000 0.292 30 T C 0.817 175.551 174.700 0.056 0.000 1.087 30 T CA -0.801 61.337 62.100 0.064 0.000 1.009 30 T CB 1.575 70.461 68.868 0.030 0.000 1.203 30 T HN 0.486 8.726 8.240 -0.000 0.000 0.518 31 D N 0.309 120.731 120.400 0.037 0.000 2.178 31 D HA -0.159 4.481 4.640 -0.001 0.000 0.201 31 D C 1.244 177.567 176.300 0.038 0.000 0.980 31 D CA 1.211 55.230 54.000 0.032 0.000 0.842 31 D CB -0.282 40.533 40.800 0.025 0.000 0.948 31 D HN 0.815 9.185 8.370 -0.000 0.000 0.472 32 E N -0.436 119.795 120.200 0.053 0.000 2.371 32 E HA 0.176 4.526 4.350 -0.001 0.000 0.194 32 E C 1.346 177.984 176.600 0.064 0.000 1.012 32 E CA 0.590 57.031 56.400 0.069 0.000 0.860 32 E CB 0.184 29.952 29.700 0.113 0.000 0.811 32 E HN 0.552 8.912 8.360 -0.000 0.000 0.502 33 G N 0.598 109.435 108.800 0.062 0.000 2.253 33 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.209 33 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.209 33 G C 0.067 175.017 174.900 0.083 0.000 0.997 33 G CA -0.356 44.778 45.100 0.056 0.000 0.640 33 G HN 0.028 8.318 8.290 -0.000 0.000 0.496 34 L N 2.119 123.400 121.223 0.097 0.000 2.461 34 L HA 0.583 4.922 4.340 -0.001 0.000 0.272 34 L C 0.689 177.620 176.870 0.102 0.000 1.197 34 L CA 0.887 55.786 54.840 0.099 0.000 0.836 34 L CB 1.121 43.251 42.059 0.119 0.000 1.105 34 L HN 0.145 8.375 8.230 -0.000 0.000 0.477 35 T N 1.199 115.808 114.554 0.092 0.000 2.861 35 T HA 0.640 4.989 4.350 -0.001 0.000 0.287 35 T C 0.014 174.718 174.700 0.007 0.000 1.003 35 T CA -0.686 61.457 62.100 0.072 0.000 0.977 35 T CB 1.649 70.605 68.868 0.146 0.000 0.996 35 T HN 0.756 8.996 8.240 -0.000 0.000 0.448 36 G N 2.264 111.038 108.800 -0.043 0.000 2.356 36 G HA2 0.686 4.645 3.960 -0.001 0.000 0.322 36 G HA3 0.686 4.645 3.960 -0.001 0.000 0.322 36 G C -0.285 174.588 174.900 -0.046 0.000 1.125 36 G CA -0.847 44.227 45.100 -0.043 0.000 0.885 36 G HN 0.906 9.196 8.290 -0.000 0.000 0.467 37 I N 0.468 121.028 120.570 -0.016 0.000 2.493 37 I HA 0.972 5.141 4.170 -0.001 0.000 0.298 37 I C 0.271 176.390 176.117 0.004 0.000 0.998 37 I CA -0.973 60.322 61.300 -0.008 0.000 1.137 37 I CB 2.435 40.443 38.000 0.013 0.000 1.310 37 I HN 0.611 8.821 8.210 -0.000 0.000 0.445 38 G N 3.449 112.251 108.800 0.004 0.000 2.708 38 G HA2 0.544 4.503 3.960 -0.001 0.000 0.289 38 G HA3 0.544 4.503 3.960 -0.001 0.000 0.289 38 G C -2.133 172.780 174.900 0.020 0.000 1.416 38 G CA -0.591 44.516 45.100 0.012 0.000 0.829 38 G HN 0.839 9.129 8.290 -0.000 0.000 0.480 39 E N -0.217 119.997 120.200 0.023 0.000 2.275 39 E HA 0.516 4.865 4.350 -0.001 0.000 0.270 39 E C -1.012 175.603 176.600 0.026 0.000 0.882 39 E CA -0.652 55.772 56.400 0.040 0.000 0.758 39 E CB 1.736 31.464 29.700 0.047 0.000 1.195 39 E HN 0.365 8.725 8.360 -0.000 0.000 0.419 40 M N 3.626 123.268 119.600 0.071 0.000 2.055 40 M HA 0.238 4.718 4.480 -0.001 0.000 0.346 40 M C -0.214 176.071 176.300 -0.024 0.000 1.074 40 M CA -0.453 54.879 55.300 0.053 0.000 1.009 40 M CB 1.353 34.123 32.600 0.282 0.000 1.423 40 M HN 0.497 8.787 8.290 -0.000 0.000 0.410 41 S N 0.462 115.980 115.700 -0.303 0.000 2.748 41 S HA 0.589 5.058 4.470 -0.001 0.000 0.299 41 S C 0.068 174.126 174.600 -0.903 0.000 1.119 41 S CA -0.496 57.386 58.200 -0.529 0.000 0.997 41 S CB 1.223 64.158 63.200 -0.442 0.000 1.223 41 S HN 0.797 9.107 8.310 -0.000 0.000 0.541 42 D N -0.958 118.967 120.400 -0.791 0.000 3.012 42 D HA -0.156 4.483 4.640 -0.001 0.000 0.222 42 D C -0.001 175.897 176.300 -0.671 0.000 1.167 42 D CA 0.881 54.450 54.000 -0.719 0.000 0.854 42 D CB -1.975 38.338 40.800 -0.812 0.000 1.107 42 D HN 0.472 8.842 8.370 -0.000 0.000 0.421 43 F N 0.239 119.941 119.950 -0.413 0.000 2.451 43 F HA -0.025 4.502 4.527 0.000 0.000 0.299 43 F C 1.709 177.346 175.800 -0.271 0.000 1.101 43 F CA 0.746 58.660 58.000 -0.143 0.000 1.436 43 F CB 0.273 39.184 39.000 -0.147 0.000 1.074 43 F HN -0.131 8.169 8.300 -0.000 0.000 0.553 44 S N 0.219 115.760 115.700 -0.264 0.000 3.811 44 S HA 0.103 4.573 4.470 -0.001 0.000 0.205 44 S C -0.372 173.997 174.600 -0.385 0.000 1.445 44 S CA 0.010 57.967 58.200 -0.405 0.000 1.097 44 S CB -0.805 62.237 63.200 -0.264 0.000 1.350 44 S HN 0.190 8.500 8.310 -0.000 0.000 0.471 45 H N 0.295 119.432 119.070 0.112 0.000 2.980 45 H HA 0.332 4.888 4.556 -0.001 0.000 0.367 45 H C -0.307 175.211 175.328 0.315 0.000 1.206 45 H CA -0.890 55.165 56.048 0.012 0.000 1.126 45 H CB 1.002 30.440 29.762 -0.540 0.000 1.838 45 H HN 0.100 8.380 8.280 -0.000 0.000 0.552 46 L N 2.939 124.339 121.223 0.295 0.000 2.473 46 L HA 0.144 4.483 4.340 -0.001 0.000 0.268 46 L C -1.678 175.341 176.870 0.249 0.000 1.215 46 L CA -1.225 53.714 54.840 0.167 0.000 0.823 46 L CB -0.431 41.668 42.059 0.066 0.000 1.099 46 L HN 0.398 8.628 8.230 -0.000 0.000 0.483 47 P HA -0.052 4.368 4.420 -0.000 0.000 0.269 47 P C 0.043 177.186 177.300 -0.261 0.000 1.215 47 P CA -0.494 62.456 63.100 -0.249 0.000 0.780 47 P CB 0.738 32.150 31.700 -0.480 0.000 0.898 48 L N 3.639 124.686 121.223 -0.293 0.000 2.650 48 L HA 0.121 4.460 4.340 -0.001 0.000 0.239 48 L C -0.561 176.264 176.870 -0.075 0.000 1.412 48 L CA -0.061 54.497 54.840 -0.469 0.000 1.219 48 L CB -1.937 39.801 42.059 -0.536 0.000 1.534 48 L HN 0.258 8.488 8.230 -0.000 0.000 0.430 49 Y N -1.498 119.000 120.300 0.331 0.000 2.588 49 Y HA 0.834 5.384 4.550 -0.001 0.000 0.343 49 Y C -0.438 175.768 175.900 0.509 0.000 1.065 49 Y CA -1.661 56.649 58.100 0.350 0.000 1.038 49 Y CB 0.537 39.107 38.460 0.184 0.000 1.297 49 Y HN 0.093 8.373 8.280 -0.000 0.000 0.467 50 S N 0.559 116.615 115.700 0.592 0.000 2.532 50 S HA 0.796 5.265 4.470 -0.001 0.000 0.301 50 S C -1.113 173.645 174.600 0.263 0.000 1.083 50 S CA -0.822 57.578 58.200 0.333 0.000 1.025 50 S CB 1.663 64.947 63.200 0.140 0.000 1.056 50 S HN 0.694 9.004 8.310 -0.000 0.000 0.494 51 V N 2.389 122.403 119.914 0.166 0.000 2.546 51 V HA 0.274 4.394 4.120 -0.001 0.000 0.284 51 V C 0.308 176.422 176.094 0.034 0.000 1.050 51 V CA -0.595 61.781 62.300 0.126 0.000 0.981 51 V CB 1.260 33.173 31.823 0.150 0.000 0.990 51 V HN 1.003 9.193 8.190 -0.000 0.000 0.474 52 D N 3.901 124.335 120.400 0.057 0.000 2.344 52 D HA 0.118 4.758 4.640 -0.001 0.000 0.253 52 D C 0.971 177.300 176.300 0.049 0.000 1.255 52 D CA 0.106 54.134 54.000 0.047 0.000 0.894 52 D CB 1.128 41.964 40.800 0.059 0.000 1.067 52 D HN 0.465 8.835 8.370 -0.000 0.000 0.492 53 L N 3.557 124.789 121.223 0.015 0.000 2.141 53 L HA -0.160 4.180 4.340 -0.001 0.000 0.209 53 L C 2.344 179.238 176.870 0.040 0.000 1.094 53 L CA 0.583 55.422 54.840 -0.002 0.000 0.763 53 L CB -0.482 41.547 42.059 -0.050 0.000 0.908 53 L HN 0.607 8.837 8.230 -0.000 0.000 0.437 54 H N 0.494 119.557 119.070 -0.012 0.000 2.293 54 H HA -0.245 4.311 4.556 -0.001 0.000 0.300 54 H C 1.750 177.084 175.328 0.010 0.000 1.082 54 H CA 2.414 58.460 56.048 -0.003 0.000 1.308 54 H CB 0.033 29.796 29.762 0.002 0.000 1.375 54 H HN 0.382 8.662 8.280 -0.000 0.000 0.495 55 D N -0.130 120.428 120.400 0.264 0.000 2.117 55 D HA -0.145 4.495 4.640 -0.001 0.000 0.197 55 D C 2.472 178.838 176.300 0.110 0.000 0.987 55 D CA 0.968 55.083 54.000 0.192 0.000 0.829 55 D CB -0.282 40.600 40.800 0.136 0.000 0.961 55 D HN 0.288 8.658 8.370 -0.000 0.000 0.460 56 L N 0.992 122.273 121.223 0.097 0.000 2.046 56 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 56 L C 2.157 179.063 176.870 0.060 0.000 1.077 56 L CA 1.866 56.769 54.840 0.105 0.000 0.747 56 L CB -0.762 41.349 42.059 0.086 0.000 0.896 56 L HN 0.006 8.236 8.230 -0.000 0.000 0.432 57 K N -1.286 119.110 120.400 -0.008 0.000 2.032 57 K HA -0.226 4.094 4.320 -0.001 0.000 0.209 57 K C 2.057 178.638 176.600 -0.032 0.000 1.048 57 K CA 1.634 57.890 56.287 -0.051 0.000 0.927 57 K CB -0.149 32.274 32.500 -0.129 0.000 0.712 57 K HN 0.415 8.665 8.250 -0.000 0.000 0.441 58 Q N -0.183 119.593 119.800 -0.040 0.000 2.061 58 Q HA -0.136 4.203 4.340 -0.001 0.000 0.204 58 Q C 2.259 178.279 176.000 0.033 0.000 0.984 58 Q CA 1.919 57.716 55.803 -0.010 0.000 0.846 58 Q CB -0.608 28.140 28.738 0.016 0.000 0.902 58 Q HN 0.579 8.849 8.270 -0.000 0.000 0.421 59 G N 0.865 109.705 108.800 0.066 0.000 2.418 59 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.217 59 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.217 59 G C 1.581 176.548 174.900 0.111 0.000 1.158 59 G CA 0.468 45.622 45.100 0.089 0.000 0.771 59 G HN 0.232 8.522 8.290 -0.000 0.000 0.545 60 L N -0.209 121.091 121.223 0.127 0.000 2.141 60 L HA 0.076 4.415 4.340 -0.001 0.000 0.209 60 L C 2.813 179.721 176.870 0.063 0.000 1.094 60 L CA 0.322 55.233 54.840 0.118 0.000 0.763 60 L CB -0.256 41.849 42.059 0.076 0.000 0.908 60 L HN 0.176 8.406 8.230 -0.000 0.000 0.437 61 L N -0.945 120.299 121.223 0.035 0.000 2.056 61 L HA -0.174 4.165 4.340 -0.001 0.000 0.207 61 L C 2.669 179.555 176.870 0.026 0.000 1.078 61 L CA 1.027 55.879 54.840 0.020 0.000 0.749 61 L CB -0.138 41.923 42.059 0.004 0.000 0.901 61 L HN 0.242 8.472 8.230 -0.000 0.000 0.433 62 S N 0.052 115.771 115.700 0.031 0.000 2.400 62 S HA -0.165 4.304 4.470 -0.001 0.000 0.232 62 S C 1.807 176.426 174.600 0.031 0.000 1.025 62 S CA 1.274 59.490 58.200 0.028 0.000 0.993 62 S CB -0.215 63.001 63.200 0.027 0.000 0.808 62 S HN 0.355 8.665 8.310 -0.000 0.000 0.478 63 I N 0.660 121.257 120.570 0.045 0.000 2.339 63 I HA -0.045 4.125 4.170 -0.001 0.000 0.245 63 I C 1.865 178.007 176.117 0.041 0.000 1.096 63 I CA 0.982 62.312 61.300 0.049 0.000 1.408 63 I CB -0.196 37.853 38.000 0.082 0.000 1.092 63 I HN 0.206 8.416 8.210 -0.000 0.000 0.423 64 L N 0.115 121.360 121.223 0.037 0.000 2.270 64 L HA 0.032 4.371 4.340 -0.001 0.000 0.210 64 L C 0.871 177.751 176.870 0.017 0.000 1.104 64 L CA -0.190 54.665 54.840 0.024 0.000 0.804 64 L CB -0.128 41.941 42.059 0.016 0.000 0.937 64 L HN 0.170 8.400 8.230 -0.000 0.000 0.450 65 L N 1.665 122.898 121.223 0.018 0.000 2.667 65 L HA 0.093 4.432 4.340 -0.001 0.000 0.278 65 L C 1.177 178.057 176.870 0.016 0.000 1.217 65 L CA 1.363 56.213 54.840 0.016 0.000 0.935 65 L CB 0.045 42.114 42.059 0.017 0.000 1.193 65 L HN 0.369 8.599 8.230 -0.000 0.000 0.493 66 G N 2.380 111.188 108.800 0.014 0.000 2.179 66 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.260 66 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.260 66 G C 0.417 175.325 174.900 0.013 0.000 0.977 66 G CA 0.366 45.474 45.100 0.014 0.000 0.641 66 G HN 0.671 8.961 8.290 -0.000 0.000 0.533 67 Q N -0.084 119.723 119.800 0.012 0.000 2.260 67 Q HA 0.301 4.641 4.340 -0.001 0.000 0.238 67 Q C 0.188 176.193 176.000 0.009 0.000 0.948 67 Q CA -0.458 55.353 55.803 0.013 0.000 0.895 67 Q CB 0.870 29.617 28.738 0.015 0.000 1.218 67 Q HN 0.428 8.698 8.270 -0.000 0.000 0.470 68 N N 2.061 120.774 118.700 0.022 0.000 2.408 68 N HA 0.094 4.834 4.740 -0.001 0.000 0.257 68 N C -1.672 173.853 175.510 0.024 0.000 1.064 68 N CA -1.642 51.431 53.050 0.039 0.000 0.952 68 N CB 0.876 39.408 38.487 0.074 0.000 1.093 68 N HN 0.296 8.676 8.380 -0.000 0.000 0.490 69 P HA -0.159 4.261 4.420 -0.000 0.000 0.223 69 P C 0.525 177.686 177.300 -0.231 0.000 1.144 69 P CA 1.113 64.112 63.100 -0.168 0.000 0.783 69 P CB -0.008 31.523 31.700 -0.281 0.000 0.771 70 F N 0.448 120.371 119.950 -0.045 0.000 2.661 70 F HA 0.007 4.534 4.527 -0.001 0.000 0.298 70 F C 1.119 176.937 175.800 0.029 0.000 1.137 70 F CA 0.695 58.703 58.000 0.014 0.000 1.454 70 F CB -0.603 38.401 39.000 0.007 0.000 1.103 70 F HN -0.176 8.124 8.300 -0.000 0.000 0.577 71 D N 1.161 121.642 120.400 0.136 0.000 2.801 71 D HA 0.098 4.737 4.640 -0.001 0.000 0.232 71 D C 1.808 178.139 176.300 0.052 0.000 1.128 71 D CA 0.241 54.295 54.000 0.092 0.000 1.003 71 D CB -0.079 40.762 40.800 0.069 0.000 1.110 71 D HN 0.268 8.638 8.370 -0.000 0.000 0.477 72 L N -0.009 121.240 121.223 0.043 0.000 2.042 72 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 72 L C 2.322 179.213 176.870 0.036 0.000 1.076 72 L CA 0.829 55.677 54.840 0.013 0.000 0.749 72 L CB -0.248 41.790 42.059 -0.035 0.000 0.893 72 L HN 0.252 8.482 8.230 -0.000 0.000 0.432 73 M N -0.266 119.360 119.600 0.042 0.000 2.086 73 M HA -0.219 4.261 4.480 -0.001 0.000 0.261 73 M C 2.270 178.602 176.300 0.053 0.000 1.067 73 M CA 1.643 56.974 55.300 0.051 0.000 1.116 73 M CB -0.997 31.631 32.600 0.047 0.000 1.348 73 M HN 0.200 8.490 8.290 -0.000 0.000 0.407 74 K N 0.725 121.154 120.400 0.049 0.000 2.026 74 K HA -0.131 4.188 4.320 -0.001 0.000 0.208 74 K C 1.908 178.537 176.600 0.048 0.000 1.048 74 K CA 1.356 57.671 56.287 0.046 0.000 0.929 74 K CB -0.139 32.386 32.500 0.043 0.000 0.713 74 K HN 0.233 8.483 8.250 -0.000 0.000 0.439 75 I N 1.495 122.092 120.570 0.046 0.000 2.226 75 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 75 I C 2.183 178.337 176.117 0.061 0.000 1.100 75 I CA 1.044 62.373 61.300 0.048 0.000 1.374 75 I CB -0.393 37.627 38.000 0.034 0.000 1.057 75 I HN 0.297 8.507 8.210 -0.000 0.000 0.413 76 N N 0.905 119.643 118.700 0.063 0.000 2.223 76 N HA -0.210 4.529 4.740 -0.001 0.000 0.185 76 N C 1.846 177.404 175.510 0.080 0.000 1.016 76 N CA 1.098 54.193 53.050 0.075 0.000 0.863 76 N CB -0.061 38.475 38.487 0.081 0.000 0.983 76 N HN 0.237 8.617 8.380 -0.000 0.000 0.429 77 K N 1.911 122.355 120.400 0.074 0.000 2.097 77 K HA -0.068 4.252 4.320 -0.001 0.000 0.205 77 K C 1.596 178.235 176.600 0.066 0.000 1.050 77 K CA 1.267 57.596 56.287 0.071 0.000 0.938 77 K CB -0.039 32.498 32.500 0.061 0.000 0.718 77 K HN 0.205 8.455 8.250 -0.000 0.000 0.442 78 E N 0.141 120.379 120.200 0.064 0.000 2.150 78 E HA -0.123 4.226 4.350 -0.001 0.000 0.193 78 E C 1.990 178.646 176.600 0.092 0.000 0.985 78 E CA 1.102 57.540 56.400 0.062 0.000 0.814 78 E CB -0.104 29.630 29.700 0.057 0.000 0.752 78 E HN 0.250 8.610 8.360 -0.000 0.000 0.466 79 L N 0.603 121.902 121.223 0.126 0.000 2.027 79 L HA -0.152 4.187 4.340 -0.001 0.000 0.206 79 L C 2.546 179.554 176.870 0.231 0.000 1.074 79 L CA 1.245 56.216 54.840 0.219 0.000 0.745 79 L CB -0.550 41.606 42.059 0.162 0.000 0.898 79 L HN 0.148 8.378 8.230 -0.000 0.000 0.433 80 T N -0.955 113.678 114.554 0.133 0.000 2.788 80 T HA -0.180 4.169 4.350 -0.001 0.000 0.268 80 T C 1.424 176.166 174.700 0.070 0.000 1.044 80 T CA 1.420 63.578 62.100 0.098 0.000 1.139 80 T CB -0.252 68.652 68.868 0.061 0.000 0.867 80 T HN 0.292 8.532 8.240 -0.000 0.000 0.454 81 D N 1.189 121.619 120.400 0.049 0.000 2.123 81 D HA -0.056 4.584 4.640 -0.001 0.000 0.196 81 D C 1.908 178.176 176.300 -0.054 0.000 0.992 81 D CA 1.133 55.137 54.000 0.008 0.000 0.833 81 D CB -0.405 40.400 40.800 0.007 0.000 0.954 81 D HN 0.396 8.766 8.370 -0.000 0.000 0.455 82 N N -1.270 117.369 118.700 -0.101 0.000 2.415 82 N HA 0.038 4.777 4.740 -0.001 0.000 0.176 82 N C -0.226 174.874 175.510 -0.684 0.000 1.042 82 N CA 0.277 53.100 53.050 -0.378 0.000 0.902 82 N CB 0.318 38.528 38.487 -0.461 0.000 0.986 82 N HN 0.041 8.421 8.380 -0.000 0.000 0.447 83 F N 0.362 120.323 119.950 0.017 0.000 2.531 83 F HA 0.419 4.945 4.527 -0.001 0.000 0.333 83 F C -2.409 173.394 175.800 0.005 0.000 1.292 83 F CA -2.508 55.501 58.000 0.015 0.000 1.184 83 F CB 1.012 40.020 39.000 0.013 0.000 1.426 83 F HN -0.283 8.017 8.300 -0.000 0.000 0.559 84 P HA -0.013 4.407 4.420 -0.000 0.000 0.267 84 P C -0.060 177.285 177.300 0.076 0.000 1.201 84 P CA 0.163 63.302 63.100 0.065 0.000 0.775 84 P CB 0.726 32.450 31.700 0.039 0.000 0.854 85 E N 0.201 120.433 120.200 0.052 0.000 2.366 85 E HA 0.178 4.528 4.350 -0.001 0.000 0.266 85 E C 0.527 177.184 176.600 0.096 0.000 1.051 85 E CA 0.200 56.634 56.400 0.057 0.000 0.884 85 E CB 0.383 30.093 29.700 0.017 0.000 1.006 85 E HN 0.484 8.844 8.360 -0.000 0.000 0.417 86 T N -0.108 114.523 114.554 0.129 0.000 3.170 86 T HA 0.177 4.527 4.350 -0.001 0.000 0.288 86 T C 0.823 175.635 174.700 0.187 0.000 0.992 86 T CA -0.405 61.779 62.100 0.141 0.000 0.909 86 T CB 0.038 68.985 68.868 0.131 0.000 1.133 86 T HN 0.588 8.828 8.240 -0.000 0.000 0.530 87 M N 0.283 120.044 119.600 0.268 0.000 2.762 87 M HA -0.199 4.280 4.480 -0.001 0.000 0.190 87 M C -0.831 175.557 176.300 0.148 0.000 0.586 87 M CA 0.638 56.185 55.300 0.413 0.000 0.620 87 M CB -1.378 31.441 32.600 0.365 0.000 2.269 87 M HN 0.677 8.967 8.290 -0.000 0.000 0.563 88 Y N -0.169 120.024 120.300 -0.177 0.000 2.341 88 Y HA 0.270 4.819 4.550 -0.001 0.000 0.338 88 Y C 0.297 175.835 175.900 -0.603 0.000 0.965 88 Y CA -1.050 56.774 58.100 -0.460 0.000 1.108 88 Y CB 0.592 38.926 38.460 -0.210 0.000 1.180 88 Y HN 0.180 8.460 8.280 -0.000 0.000 0.458 89 Y N 5.083 124.222 120.300 -1.934 0.000 2.062 89 Y HA -0.307 4.243 4.550 -0.001 0.000 0.276 89 Y C 0.179 175.333 175.900 -1.244 0.000 1.189 89 Y CA 2.174 59.248 58.100 -1.709 0.000 1.130 89 Y CB -0.397 36.835 38.460 -2.048 0.000 0.959 89 Y HN 0.683 8.963 8.280 -0.000 0.000 0.499 90 Y N 1.149 120.737 120.300 -1.186 0.000 2.867 90 Y HA 0.290 4.839 4.550 -0.001 0.000 0.351 90 Y C 0.162 175.933 175.900 -0.215 0.000 1.046 90 Y CA -1.024 56.813 58.100 -0.437 0.000 1.520 90 Y CB -0.710 37.561 38.460 -0.315 0.000 1.337 90 Y HN -0.014 8.266 8.280 -0.000 0.000 0.525 91 E N 1.246 121.358 120.200 -0.146 0.000 2.351 91 E HA 0.037 4.386 4.350 -0.001 0.000 0.266 91 E C 0.668 176.860 176.600 -0.680 0.000 1.031 91 E CA 0.223 56.569 56.400 -0.091 0.000 0.911 91 E CB 0.720 30.423 29.700 0.006 0.000 0.986 91 E HN 0.370 8.730 8.360 -0.000 0.000 0.446 92 K N 3.080 123.189 120.400 -0.485 0.000 2.209 92 K HA -0.098 4.222 4.320 -0.001 0.000 0.204 92 K C 1.729 178.060 176.600 -0.448 0.000 1.048 92 K CA 1.079 56.971 56.287 -0.658 0.000 0.940 92 K CB -0.017 32.533 32.500 0.084 0.000 0.729 92 K HN 0.692 8.942 8.250 -0.000 0.000 0.451 93 G N 0.816 109.510 108.800 -0.176 0.000 2.448 93 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.219 93 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.219 93 G C 1.452 176.241 174.900 -0.186 0.000 1.127 93 G CA 0.723 45.786 45.100 -0.062 0.000 0.766 93 G HN 0.179 8.469 8.290 -0.000 0.000 0.552 94 S N 0.816 116.354 115.700 -0.269 0.000 2.368 94 S HA -0.022 4.448 4.470 -0.001 0.000 0.224 94 S C 1.960 176.514 174.600 -0.078 0.000 1.029 94 S CA 0.946 59.056 58.200 -0.151 0.000 0.988 94 S CB -0.330 62.827 63.200 -0.071 0.000 0.838 94 S HN 0.325 8.635 8.310 -0.000 0.000 0.462 95 F N 1.711 121.551 119.950 -0.184 0.000 2.171 95 F HA 0.038 4.565 4.527 -0.001 0.000 0.300 95 F C 2.046 177.701 175.800 -0.242 0.000 1.090 95 F CA -0.242 57.570 58.000 -0.314 0.000 1.293 95 F CB -1.360 37.258 39.000 -0.637 0.000 1.013 95 F HN 0.153 8.453 8.300 -0.000 0.000 0.486 96 I N 0.004 120.529 120.570 -0.075 0.000 2.142 96 I HA -0.278 3.891 4.170 -0.001 0.000 0.240 96 I C 2.633 178.629 176.117 -0.201 0.000 1.078 96 I CA 1.333 62.543 61.300 -0.151 0.000 1.343 96 I CB -0.431 37.328 38.000 -0.401 0.000 1.046 96 I HN 0.022 8.232 8.210 -0.000 0.000 0.405 97 R N 0.405 120.770 120.500 -0.226 0.000 2.096 97 R HA -0.211 4.129 4.340 -0.001 0.000 0.235 97 R C 2.110 178.378 176.300 -0.054 0.000 1.127 97 R CA 1.892 57.915 56.100 -0.128 0.000 0.968 97 R CB -0.600 29.660 30.300 -0.066 0.000 0.861 97 R HN 0.387 8.657 8.270 -0.000 0.000 0.440 98 N N 0.156 118.831 118.700 -0.041 0.000 2.069 98 N HA -0.134 4.605 4.740 -0.001 0.000 0.191 98 N C 1.868 177.366 175.510 -0.019 0.000 1.031 98 N CA 1.800 54.835 53.050 -0.025 0.000 0.852 98 N CB -0.431 38.037 38.487 -0.032 0.000 1.018 98 N HN 0.206 8.586 8.380 -0.000 0.000 0.423 99 G N 0.495 109.283 108.800 -0.019 0.000 2.422 99 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.218 99 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.218 99 G C 1.382 176.278 174.900 -0.006 0.000 1.146 99 G CA 0.770 45.867 45.100 -0.005 0.000 0.769 99 G HN 0.270 8.560 8.290 -0.000 0.000 0.547 100 I N 1.418 121.977 120.570 -0.017 0.000 2.193 100 I HA -0.075 4.094 4.170 -0.001 0.000 0.240 100 I C 2.312 178.442 176.117 0.021 0.000 1.084 100 I CA 1.514 62.807 61.300 -0.011 0.000 1.365 100 I CB -1.080 36.906 38.000 -0.022 0.000 1.064 100 I HN 0.200 8.410 8.210 -0.000 0.000 0.410 101 D N 1.058 121.483 120.400 0.042 0.000 2.144 101 D HA -0.203 4.437 4.640 -0.001 0.000 0.199 101 D C 1.785 178.200 176.300 0.192 0.000 0.984 101 D CA 1.318 55.385 54.000 0.113 0.000 0.834 101 D CB 0.073 40.939 40.800 0.110 0.000 0.955 101 D HN 0.145 8.515 8.370 -0.000 0.000 0.465 102 N N -0.090 118.662 118.700 0.086 0.000 2.188 102 N HA -0.041 4.698 4.740 -0.001 0.000 0.184 102 N C 1.584 177.148 175.510 0.090 0.000 1.018 102 N CA 1.201 54.289 53.050 0.063 0.000 0.858 102 N CB -0.517 37.971 38.487 0.001 0.000 0.989 102 N HN 0.286 8.666 8.380 -0.000 0.000 0.426 103 A N 0.796 123.645 122.820 0.049 0.000 1.969 103 A HA 0.008 4.327 4.320 -0.001 0.000 0.218 103 A C 2.268 179.855 177.584 0.005 0.000 1.169 103 A CA 0.729 52.775 52.037 0.015 0.000 0.635 103 A CB -0.576 18.412 19.000 -0.019 0.000 0.810 103 A HN 0.200 8.350 8.150 -0.000 0.000 0.445 104 L N -1.675 119.561 121.223 0.021 0.000 2.093 104 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 104 L C 2.541 179.370 176.870 -0.069 0.000 1.085 104 L CA 1.412 56.222 54.840 -0.050 0.000 0.755 104 L CB -0.614 41.417 42.059 -0.046 0.000 0.904 104 L HN 0.448 8.678 8.230 -0.000 0.000 0.435 105 H N -0.837 118.232 119.070 -0.002 0.000 2.321 105 H HA -0.211 4.344 4.556 -0.001 0.000 0.300 105 H C 1.949 177.240 175.328 -0.063 0.000 1.087 105 H CA 1.976 58.067 56.048 0.072 0.000 1.319 105 H CB -0.104 29.732 29.762 0.124 0.000 1.379 105 H HN 0.288 8.568 8.280 -0.000 0.000 0.501 106 D N 0.051 120.494 120.400 0.071 0.000 2.123 106 D HA -0.156 4.484 4.640 -0.001 0.000 0.196 106 D C 2.248 178.505 176.300 -0.072 0.000 0.992 106 D CA 0.798 54.794 54.000 -0.006 0.000 0.833 106 D CB -0.218 40.589 40.800 0.012 0.000 0.954 106 D HN 0.289 8.659 8.370 -0.000 0.000 0.455 107 L N -0.220 120.943 121.223 -0.101 0.000 1.994 107 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 107 L C 2.343 179.076 176.870 -0.228 0.000 1.071 107 L CA 1.375 56.134 54.840 -0.135 0.000 0.745 107 L CB -0.370 41.594 42.059 -0.158 0.000 0.892 107 L HN 0.320 8.550 8.230 -0.000 0.000 0.431 108 C N -0.425 118.600 119.300 -0.459 0.000 2.413 108 C HA -0.165 4.294 4.460 -0.001 0.000 0.276 108 C C 3.047 177.755 174.990 -0.470 0.000 1.248 108 C CA 0.746 59.293 59.018 -0.785 0.000 1.742 108 C CB -1.189 25.788 27.740 -1.271 0.000 2.017 108 C HN 0.702 8.932 8.230 -0.000 0.000 0.481 109 A N 0.496 123.026 122.820 -0.482 0.000 1.877 109 A HA -0.204 4.116 4.320 -0.001 0.000 0.216 109 A C 2.148 179.670 177.584 -0.103 0.000 1.186 109 A CA 1.736 53.590 52.037 -0.305 0.000 0.620 109 A CB -0.497 18.385 19.000 -0.197 0.000 0.822 109 A HN 0.683 8.833 8.150 -0.000 0.000 0.443 110 K N -1.753 118.613 120.400 -0.057 0.000 2.063 110 K HA -0.200 4.120 4.320 -0.001 0.000 0.208 110 K C 1.961 178.596 176.600 0.059 0.000 1.048 110 K CA 1.820 58.110 56.287 0.006 0.000 0.928 110 K CB -0.411 32.101 32.500 0.019 0.000 0.713 110 K HN 0.595 8.845 8.250 -0.000 0.000 0.442 111 Y N 1.368 121.650 120.300 -0.029 0.000 2.165 111 Y HA -0.162 4.387 4.550 -0.001 0.000 0.286 111 Y C 1.498 177.427 175.900 0.049 0.000 1.155 111 Y CA 1.432 59.559 58.100 0.045 0.000 1.164 111 Y CB 0.002 38.554 38.460 0.153 0.000 0.978 111 Y HN -0.044 8.236 8.280 -0.000 0.000 0.513 112 L N 0.087 121.361 121.223 0.085 0.000 2.591 112 L HA 0.045 4.385 4.340 -0.001 0.000 0.228 112 L C 0.447 177.289 176.870 -0.048 0.000 1.133 112 L CA 0.854 55.685 54.840 -0.014 0.000 0.880 112 L CB -0.403 41.696 42.059 0.066 0.000 1.033 112 L HN 0.155 8.385 8.230 -0.000 0.000 0.450 113 D N 1.381 121.754 120.400 -0.044 0.000 2.746 113 D HA -0.204 4.436 4.640 -0.001 0.000 0.236 113 D C -0.289 176.004 176.300 -0.011 0.000 1.129 113 D CA 0.766 54.748 54.000 -0.032 0.000 0.691 113 D CB -0.905 39.868 40.800 -0.046 0.000 1.077 113 D HN 0.537 8.907 8.370 -0.000 0.000 0.432 114 I N -4.022 116.543 120.570 -0.008 0.000 3.074 114 I HA 0.620 4.790 4.170 -0.001 0.000 0.310 114 I C 0.172 176.293 176.117 0.006 0.000 1.153 114 I CA -1.111 60.196 61.300 0.012 0.000 0.993 114 I CB 1.993 40.014 38.000 0.035 0.000 1.237 114 I HN -0.015 8.195 8.210 -0.000 0.000 0.443 115 S N 1.679 117.397 115.700 0.030 0.000 2.592 115 S HA 0.249 4.718 4.470 -0.001 0.000 0.271 115 S C 1.019 175.598 174.600 -0.036 0.000 1.326 115 S CA -0.474 57.735 58.200 0.014 0.000 1.024 115 S CB 1.426 64.674 63.200 0.081 0.000 0.921 115 S HN 0.530 8.839 8.310 -0.000 0.000 0.527 116 V N 4.406 124.195 119.914 -0.208 0.000 2.469 116 V HA -0.138 3.981 4.120 -0.001 0.000 0.251 116 V C 2.571 178.614 176.094 -0.085 0.000 1.064 116 V CA 2.311 64.494 62.300 -0.195 0.000 1.066 116 V CB -1.069 30.471 31.823 -0.472 0.000 0.667 116 V HN 0.928 9.118 8.190 -0.000 0.000 0.461 117 S N -0.175 115.452 115.700 -0.123 0.000 2.359 117 S HA -0.254 4.215 4.470 -0.001 0.000 0.223 117 S C 1.714 176.399 174.600 0.142 0.000 1.039 117 S CA 1.782 60.060 58.200 0.129 0.000 1.042 117 S CB -0.429 62.920 63.200 0.247 0.000 0.915 117 S HN 0.643 8.953 8.310 -0.000 0.000 0.439 118 D N -0.307 120.177 120.400 0.141 0.000 2.350 118 D HA 0.011 4.650 4.640 -0.001 0.000 0.216 118 D C 1.144 177.592 176.300 0.247 0.000 0.968 118 D CA 0.470 54.565 54.000 0.159 0.000 0.894 118 D CB -0.095 40.783 40.800 0.130 0.000 0.909 118 D HN 0.427 8.797 8.370 -0.000 0.000 0.520 119 F N 0.190 120.177 119.950 0.062 0.000 2.776 119 F HA 0.141 4.667 4.527 -0.001 0.000 0.300 119 F C 1.517 177.388 175.800 0.117 0.000 1.116 119 F CA 0.077 58.129 58.000 0.087 0.000 1.375 119 F CB 0.456 39.504 39.000 0.080 0.000 1.109 119 F HN -0.173 8.127 8.300 -0.000 0.000 0.585 120 L N -0.433 120.875 121.223 0.141 0.000 2.857 120 L HA 0.385 4.724 4.340 -0.001 0.000 0.249 120 L C 1.191 178.115 176.870 0.091 0.000 1.172 120 L CA 0.591 55.479 54.840 0.080 0.000 0.980 120 L CB 0.293 42.412 42.059 0.100 0.000 1.299 120 L HN 0.261 8.491 8.230 -0.000 0.000 0.535 121 G N -0.615 108.237 108.800 0.087 0.000 2.163 121 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.213 121 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.213 121 G C 0.612 175.559 174.900 0.079 0.000 0.991 121 G CA -0.172 44.975 45.100 0.079 0.000 0.653 121 G HN 0.765 9.055 8.290 -0.000 0.000 0.518 122 G N -0.569 108.287 108.800 0.094 0.000 2.584 122 G HA2 0.112 4.071 3.960 -0.001 0.000 0.229 122 G HA3 0.112 4.071 3.960 -0.001 0.000 0.229 122 G C -0.350 174.601 174.900 0.084 0.000 1.320 122 G CA 0.099 45.251 45.100 0.087 0.000 0.891 122 G HN 0.962 9.252 8.290 -0.000 0.000 0.573 123 R N -0.661 119.880 120.500 0.067 0.000 2.514 123 R HA 0.601 4.940 4.340 -0.001 0.000 0.301 123 R C 0.762 177.085 176.300 0.037 0.000 0.962 123 R CA -0.356 55.778 56.100 0.056 0.000 0.882 123 R CB 1.569 31.899 30.300 0.051 0.000 1.143 123 R HN 0.468 8.738 8.270 -0.000 0.000 0.452 124 V N 1.695 121.627 119.914 0.030 0.000 3.379 124 V HA 0.065 4.184 4.120 -0.001 0.000 0.249 124 V C 0.384 176.480 176.094 0.003 0.000 1.184 124 V CA 1.029 63.340 62.300 0.018 0.000 1.106 124 V CB 0.026 31.863 31.823 0.023 0.000 0.826 124 V HN 0.715 8.905 8.190 -0.000 0.000 0.465 125 K N 0.106 120.505 120.400 -0.002 0.000 2.578 125 K HA 0.374 4.693 4.320 -0.001 0.000 0.287 125 K C -0.076 176.501 176.600 -0.038 0.000 1.010 125 K CA -0.491 55.779 56.287 -0.029 0.000 0.889 125 K CB 1.289 33.764 32.500 -0.042 0.000 1.514 125 K HN -0.117 8.133 8.250 -0.000 0.000 0.424 126 E N 1.447 121.601 120.200 -0.077 0.000 2.476 126 E HA 0.066 4.416 4.350 -0.001 0.000 0.199 126 E C -0.531 175.963 176.600 -0.176 0.000 1.021 126 E CA 0.347 56.705 56.400 -0.071 0.000 0.907 126 E CB 0.232 29.919 29.700 -0.022 0.000 0.974 126 E HN 0.614 8.974 8.360 -0.000 0.000 0.489 127 K N 0.521 120.759 120.400 -0.270 0.000 2.575 127 K HA 0.560 4.879 4.320 -0.001 0.000 0.279 127 K C -0.735 175.781 176.600 -0.140 0.000 0.969 127 K CA -1.002 55.057 56.287 -0.381 0.000 0.868 127 K CB 1.407 33.311 32.500 -0.994 0.000 1.457 127 K HN 0.061 8.311 8.250 -0.000 0.000 0.426 128 I N -1.514 119.044 120.570 -0.020 0.000 2.545 128 I HA 0.521 4.691 4.170 -0.001 0.000 0.292 128 I C -0.871 175.333 176.117 0.145 0.000 1.040 128 I CA -1.080 60.270 61.300 0.083 0.000 1.068 128 I CB 2.061 40.089 38.000 0.045 0.000 1.251 128 I HN 0.551 8.761 8.210 -0.000 0.000 0.424 129 K N 5.189 125.645 120.400 0.093 0.000 2.412 129 K HA 0.433 4.752 4.320 -0.001 0.000 0.281 129 K C -0.524 176.026 176.600 -0.083 0.000 1.027 129 K CA -0.118 56.041 56.287 -0.213 0.000 0.989 129 K CB 0.718 33.035 32.500 -0.305 0.000 0.935 129 K HN 0.633 8.883 8.250 -0.000 0.000 0.475 130 V N 1.432 121.306 119.914 -0.067 0.000 3.158 130 V HA 0.746 4.865 4.120 -0.001 0.000 0.315 130 V C -0.447 175.655 176.094 0.014 0.000 1.148 130 V CA -0.920 61.407 62.300 0.046 0.000 1.042 130 V CB 1.216 33.162 31.823 0.205 0.000 1.101 130 V HN 0.997 9.187 8.190 -0.000 0.000 0.448 131 C N 0.181 119.488 119.300 0.012 0.000 2.779 131 C HA 0.826 5.285 4.460 -0.001 0.000 0.314 131 C C -0.680 174.254 174.990 -0.093 0.000 1.231 131 C CA -0.862 58.122 59.018 -0.057 0.000 1.652 131 C CB 0.968 28.658 27.740 -0.083 0.000 2.198 131 C HN 1.067 9.297 8.230 -0.000 0.000 0.483 132 Y N 3.186 123.286 120.300 -0.333 0.000 2.323 132 Y HA 0.642 5.191 4.550 -0.001 0.000 0.331 132 Y C -2.154 173.702 175.900 -0.072 0.000 1.092 132 Y CA -2.053 55.839 58.100 -0.347 0.000 1.150 132 Y CB 1.641 39.752 38.460 -0.582 0.000 1.200 132 Y HN 0.632 8.912 8.280 -0.000 0.000 0.472 133 P HA 0.248 4.668 4.420 -0.000 0.000 0.279 133 P C -0.959 176.165 177.300 -0.294 0.000 1.239 133 P CA 0.147 62.998 63.100 -0.414 0.000 0.789 133 P CB 1.591 32.856 31.700 -0.725 0.000 0.933 134 I N 3.452 123.863 120.570 -0.265 0.000 2.466 134 I HA 0.257 4.426 4.170 -0.001 0.000 0.279 134 I C 0.122 176.113 176.117 -0.210 0.000 1.033 134 I CA -0.853 60.334 61.300 -0.188 0.000 1.123 134 I CB 0.494 38.422 38.000 -0.120 0.000 1.237 134 I HN 0.149 8.359 8.210 -0.000 0.000 0.460 135 F N 4.711 124.671 119.950 0.016 0.000 2.518 135 F HA 0.227 4.754 4.527 -0.001 0.000 0.359 135 F C 1.319 177.064 175.800 -0.092 0.000 1.118 135 F CA -0.596 57.389 58.000 -0.024 0.000 1.287 135 F CB 0.392 39.293 39.000 -0.165 0.000 1.132 135 F HN 0.452 8.752 8.300 -0.000 0.000 0.587 136 R N 1.430 122.036 120.500 0.176 0.000 2.500 136 R HA -0.035 4.304 4.340 -0.001 0.000 0.281 136 R C -1.249 175.089 176.300 0.064 0.000 0.953 136 R CA -0.141 56.045 56.100 0.143 0.000 1.108 136 R CB -0.463 29.911 30.300 0.122 0.000 0.901 136 R HN 0.537 8.807 8.270 -0.000 0.000 0.410 137 H N 2.351 121.389 119.070 -0.054 0.000 2.646 137 H HA 0.204 4.760 4.556 -0.001 0.000 0.325 137 H C 0.585 175.882 175.328 -0.051 0.000 1.075 137 H CA -0.742 55.283 56.048 -0.038 0.000 1.421 137 H CB 1.289 31.007 29.762 -0.073 0.000 1.461 137 H HN 0.569 8.849 8.280 -0.000 0.000 0.525 138 R N 1.782 122.323 120.500 0.068 0.000 2.225 138 R HA 0.187 4.526 4.340 -0.001 0.000 0.194 138 R C -0.487 175.496 176.300 -0.529 0.000 0.957 138 R CA 0.405 56.356 56.100 -0.248 0.000 1.042 138 R CB 0.616 30.723 30.300 -0.321 0.000 1.004 138 R HN 0.304 8.574 8.270 -0.000 0.000 0.509 139 F N -1.245 118.735 119.950 0.049 0.000 2.588 139 F HA 0.308 4.834 4.527 -0.001 0.000 0.314 139 F C 1.061 176.898 175.800 0.062 0.000 1.069 139 F CA -1.069 56.955 58.000 0.040 0.000 0.931 139 F CB 1.833 40.847 39.000 0.023 0.000 1.260 139 F HN -0.321 7.979 8.300 -0.000 0.000 0.465 140 S N -0.268 115.566 115.700 0.224 0.000 2.603 140 S HA -0.065 4.405 4.470 -0.001 0.000 0.229 140 S C 1.370 176.062 174.600 0.154 0.000 0.972 140 S CA 0.631 58.921 58.200 0.150 0.000 0.935 140 S CB -0.399 62.856 63.200 0.093 0.000 0.769 140 S HN 0.673 8.983 8.310 -0.000 0.000 0.536 141 E N 1.440 121.742 120.200 0.171 0.000 2.158 141 E HA -0.083 4.266 4.350 -0.001 0.000 0.191 141 E C 1.556 178.208 176.600 0.087 0.000 0.982 141 E CA 0.684 57.141 56.400 0.096 0.000 0.823 141 E CB -0.065 29.653 29.700 0.031 0.000 0.766 141 E HN 0.604 8.964 8.360 -0.000 0.000 0.468 142 E N 0.776 121.051 120.200 0.124 0.000 2.418 142 E HA -0.087 4.262 4.350 -0.001 0.000 0.197 142 E C 1.972 178.624 176.600 0.086 0.000 1.026 142 E CA 0.257 56.696 56.400 0.065 0.000 0.862 142 E CB 0.130 29.850 29.700 0.033 0.000 0.799 142 E HN 0.052 8.412 8.360 -0.000 0.000 0.518 143 V N 1.493 121.532 119.914 0.208 0.000 2.252 143 V HA -0.309 3.810 4.120 -0.001 0.000 0.249 143 V C 2.311 178.532 176.094 0.212 0.000 1.056 143 V CA 2.184 64.650 62.300 0.277 0.000 1.022 143 V CB -0.437 31.530 31.823 0.240 0.000 0.641 143 V HN 0.197 8.387 8.190 -0.000 0.000 0.445 144 E N 0.153 120.437 120.200 0.139 0.000 2.070 144 E HA -0.230 4.120 4.350 -0.001 0.000 0.197 144 E C 2.494 179.150 176.600 0.093 0.000 1.004 144 E CA 1.790 58.255 56.400 0.108 0.000 0.805 144 E CB -0.596 29.145 29.700 0.067 0.000 0.744 144 E HN 0.487 8.847 8.360 -0.000 0.000 0.451 145 S N -0.535 115.200 115.700 0.058 0.000 2.370 145 S HA -0.165 4.304 4.470 -0.001 0.000 0.226 145 S C 1.680 176.299 174.600 0.031 0.000 1.033 145 S CA 1.722 59.940 58.200 0.030 0.000 1.011 145 S CB -0.412 62.786 63.200 -0.002 0.000 0.852 145 S HN 0.388 8.698 8.310 -0.000 0.000 0.457 146 N N 0.364 119.076 118.700 0.020 0.000 2.270 146 N HA 0.069 4.808 4.740 -0.001 0.000 0.181 146 N C 1.690 177.306 175.510 0.177 0.000 1.016 146 N CA 1.035 54.083 53.050 -0.004 0.000 0.870 146 N CB -0.170 38.167 38.487 -0.250 0.000 0.979 146 N HN 0.339 8.719 8.380 -0.000 0.000 0.431 147 L N 0.517 121.903 121.223 0.272 0.000 2.083 147 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 147 L C 2.033 178.997 176.870 0.157 0.000 1.083 147 L CA 0.952 55.947 54.840 0.259 0.000 0.752 147 L CB -0.325 41.866 42.059 0.221 0.000 0.899 147 L HN 0.184 8.414 8.230 -0.000 0.000 0.433 148 D N -0.149 120.316 120.400 0.109 0.000 2.117 148 D HA -0.138 4.501 4.640 -0.001 0.000 0.198 148 D C 2.157 178.480 176.300 0.038 0.000 0.982 148 D CA 0.976 55.023 54.000 0.077 0.000 0.828 148 D CB 0.140 40.971 40.800 0.053 0.000 0.967 148 D HN 0.021 8.391 8.370 -0.000 0.000 0.464 149 V N 0.059 119.979 119.914 0.010 0.000 2.287 149 V HA -0.237 3.882 4.120 -0.001 0.000 0.248 149 V C 2.720 178.742 176.094 -0.119 0.000 1.053 149 V CA 1.450 63.724 62.300 -0.044 0.000 1.027 149 V CB -0.532 31.281 31.823 -0.016 0.000 0.646 149 V HN 0.127 8.317 8.190 -0.000 0.000 0.447 150 V N -0.407 119.375 119.914 -0.221 0.000 2.295 150 V HA -0.285 3.834 4.120 -0.001 0.000 0.246 150 V C 2.560 178.539 176.094 -0.191 0.000 1.049 150 V CA 2.350 64.341 62.300 -0.515 0.000 1.024 150 V CB -0.754 30.622 31.823 -0.744 0.000 0.648 150 V HN 0.421 8.611 8.190 -0.000 0.000 0.447 151 R N -0.219 120.290 120.500 0.014 0.000 2.082 151 R HA -0.226 4.114 4.340 -0.001 0.000 0.234 151 R C 2.531 178.906 176.300 0.125 0.000 1.136 151 R CA 2.253 58.475 56.100 0.203 0.000 0.935 151 R CB -0.518 29.917 30.300 0.226 0.000 0.842 151 R HN 0.624 8.894 8.270 -0.000 0.000 0.430 152 Q N 0.049 119.890 119.800 0.068 0.000 2.030 152 Q HA -0.220 4.120 4.340 -0.001 0.000 0.204 152 Q C 1.513 177.544 176.000 0.052 0.000 0.986 152 Q CA 1.693 57.524 55.803 0.046 0.000 0.843 152 Q CB 0.079 28.821 28.738 0.007 0.000 0.904 152 Q HN 0.096 8.366 8.270 -0.000 0.000 0.420 153 K N 0.459 120.873 120.400 0.023 0.000 2.148 153 K HA -0.128 4.191 4.320 -0.001 0.000 0.204 153 K C 2.084 178.825 176.600 0.234 0.000 1.050 153 K CA 0.557 56.883 56.287 0.066 0.000 0.942 153 K CB -0.526 31.890 32.500 -0.139 0.000 0.724 153 K HN 0.251 8.501 8.250 -0.000 0.000 0.446 154 L N 2.041 123.412 121.223 0.247 0.000 2.083 154 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 154 L C 2.156 179.112 176.870 0.142 0.000 1.083 154 L CA 1.830 56.792 54.840 0.204 0.000 0.752 154 L CB -0.445 41.713 42.059 0.166 0.000 0.899 154 L HN 0.236 8.466 8.230 -0.000 0.000 0.433 155 E N -0.833 119.447 120.200 0.134 0.000 2.204 155 E HA -0.226 4.123 4.350 -0.001 0.000 0.194 155 E C 1.749 178.402 176.600 0.088 0.000 0.989 155 E CA 0.941 57.403 56.400 0.103 0.000 0.824 155 E CB -0.006 29.750 29.700 0.093 0.000 0.756 155 E HN 0.713 9.073 8.360 -0.000 0.000 0.477 156 Q N -1.152 118.717 119.800 0.114 0.000 2.444 156 Q HA 0.093 4.433 4.340 -0.001 0.000 0.206 156 Q C 0.980 176.997 176.000 0.028 0.000 0.948 156 Q CA 0.468 56.340 55.803 0.116 0.000 0.946 156 Q CB 0.890 29.751 28.738 0.205 0.000 1.027 156 Q HN 0.457 8.727 8.270 -0.000 0.000 0.513 157 G N 0.490 109.285 108.800 -0.008 0.000 2.231 157 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.206 157 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.206 157 G C -0.175 174.554 174.900 -0.285 0.000 0.996 157 G CA -0.694 44.314 45.100 -0.153 0.000 0.645 157 G HN 0.272 8.562 8.290 -0.000 0.000 0.498 158 F N 3.173 123.063 119.950 -0.100 0.000 2.439 158 F HA 0.377 4.903 4.527 -0.001 0.000 0.356 158 F C 1.298 176.879 175.800 -0.365 0.000 1.161 158 F CA -0.149 57.684 58.000 -0.279 0.000 1.151 158 F CB 0.941 39.705 39.000 -0.394 0.000 1.222 158 F HN 0.181 8.481 8.300 -0.000 0.000 0.558 159 D N 0.948 121.249 120.400 -0.164 0.000 2.349 159 D HA 0.047 4.686 4.640 -0.001 0.000 0.214 159 D C 0.038 176.262 176.300 -0.127 0.000 1.063 159 D CA 0.476 54.432 54.000 -0.074 0.000 0.847 159 D CB 0.154 40.939 40.800 -0.025 0.000 0.933 159 D HN 0.170 8.540 8.370 -0.000 0.000 0.513 160 V N 0.707 120.415 119.914 -0.344 0.000 2.588 160 V HA 0.503 4.623 4.120 -0.001 0.000 0.304 160 V C -0.854 174.946 176.094 -0.491 0.000 1.042 160 V CA -0.820 61.333 62.300 -0.244 0.000 0.877 160 V CB 1.469 33.199 31.823 -0.155 0.000 0.996 160 V HN -0.085 8.105 8.190 -0.000 0.000 0.425 161 F N 2.507 122.458 119.950 0.003 0.000 2.620 161 F HA 0.787 5.313 4.527 -0.001 0.000 0.320 161 F C 0.209 175.967 175.800 -0.070 0.000 1.069 161 F CA -1.055 56.947 58.000 0.002 0.000 0.953 161 F CB 2.022 41.044 39.000 0.037 0.000 1.322 161 F HN 0.475 8.775 8.300 -0.000 0.000 0.479 162 R N 1.259 121.800 120.500 0.069 0.000 2.534 162 R HA 0.778 5.118 4.340 -0.001 0.000 0.301 162 R C -2.005 174.186 176.300 -0.182 0.000 0.961 162 R CA -0.883 55.138 56.100 -0.132 0.000 0.871 162 R CB 1.955 32.095 30.300 -0.267 0.000 1.170 162 R HN 0.597 8.867 8.270 -0.000 0.000 0.446 163 L N 3.471 124.601 121.223 -0.155 0.000 2.287 163 L HA 0.392 4.732 4.340 -0.001 0.000 0.287 163 L C -1.431 175.276 176.870 -0.272 0.000 1.022 163 L CA -0.764 54.013 54.840 -0.105 0.000 0.814 163 L CB 0.747 42.881 42.059 0.125 0.000 1.217 163 L HN 0.571 8.801 8.230 -0.000 0.000 0.420 164 Y N 5.232 125.468 120.300 -0.106 0.000 2.486 164 Y HA 0.442 4.991 4.550 -0.001 0.000 0.348 164 Y C 0.621 176.446 175.900 -0.125 0.000 1.000 164 Y CA 0.049 58.082 58.100 -0.111 0.000 1.253 164 Y CB 0.763 39.181 38.460 -0.070 0.000 1.140 164 Y HN 0.557 8.837 8.280 -0.000 0.000 0.526 165 V N 0.060 119.871 119.914 -0.172 0.000 3.285 165 V HA 0.994 5.113 4.120 -0.001 0.000 0.302 165 V C 0.799 176.779 176.094 -0.190 0.000 1.247 165 V CA -0.161 61.987 62.300 -0.253 0.000 1.035 165 V CB 1.284 32.804 31.823 -0.505 0.000 1.223 165 V HN 0.808 8.998 8.190 -0.000 0.000 0.475 166 G N -0.543 108.192 108.800 -0.109 0.000 2.376 166 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.208 166 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.208 166 G C 0.874 175.815 174.900 0.068 0.000 1.032 166 G CA 0.388 45.552 45.100 0.106 0.000 0.641 166 G HN 0.741 9.031 8.290 -0.000 0.000 0.503 167 K N 0.610 121.023 120.400 0.022 0.000 1.968 167 K HA 0.020 4.339 4.320 -0.001 0.000 0.215 167 K C 0.799 177.376 176.600 -0.038 0.000 1.040 167 K CA 0.995 57.276 56.287 -0.010 0.000 0.959 167 K CB -0.510 31.973 32.500 -0.028 0.000 0.740 167 K HN 0.383 8.633 8.250 -0.000 0.000 0.443 168 N N 1.554 120.222 118.700 -0.054 0.000 2.707 168 N HA 0.113 4.852 4.740 -0.001 0.000 0.235 168 N C 0.880 176.352 175.510 -0.064 0.000 1.028 168 N CA -0.013 52.998 53.050 -0.065 0.000 0.906 168 N CB 0.602 39.041 38.487 -0.080 0.000 1.131 168 N HN 0.089 8.469 8.380 -0.000 0.000 0.509 169 L N 1.255 122.451 121.223 -0.046 0.000 2.079 169 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 169 L C 1.424 178.260 176.870 -0.057 0.000 1.081 169 L CA 1.023 55.832 54.840 -0.051 0.000 0.752 169 L CB -0.077 41.970 42.059 -0.019 0.000 0.896 169 L HN 0.406 8.636 8.230 -0.000 0.000 0.433 170 D N 0.282 120.658 120.400 -0.040 0.000 2.117 170 D HA -0.161 4.478 4.640 -0.001 0.000 0.197 170 D C 2.225 178.497 176.300 -0.047 0.000 0.987 170 D CA 1.559 55.543 54.000 -0.028 0.000 0.829 170 D CB 0.054 40.846 40.800 -0.013 0.000 0.961 170 D HN 0.332 8.702 8.370 -0.000 0.000 0.460 171 A N 1.194 123.975 122.820 -0.064 0.000 1.969 171 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 171 A C 1.814 179.269 177.584 -0.215 0.000 1.169 171 A CA 1.442 53.424 52.037 -0.092 0.000 0.635 171 A CB -0.204 18.762 19.000 -0.056 0.000 0.810 171 A HN 0.055 8.205 8.150 -0.000 0.000 0.445 172 D N -0.137 120.123 120.400 -0.233 0.000 2.123 172 D HA -0.113 4.526 4.640 -0.001 0.000 0.200 172 D C 1.875 178.055 176.300 -0.200 0.000 0.976 172 D CA 1.382 55.214 54.000 -0.279 0.000 0.831 172 D CB -0.324 40.324 40.800 -0.253 0.000 0.974 172 D HN 0.658 9.028 8.370 -0.000 0.000 0.469 173 E N 0.866 120.976 120.200 -0.149 0.000 2.072 173 E HA -0.157 4.192 4.350 -0.001 0.000 0.191 173 E C 2.005 178.464 176.600 -0.236 0.000 0.985 173 E CA 0.512 56.821 56.400 -0.151 0.000 0.801 173 E CB -0.024 29.713 29.700 0.062 0.000 0.750 173 E HN 0.369 8.729 8.360 -0.000 0.000 0.452 174 E N 0.658 120.789 120.200 -0.115 0.000 2.058 174 E HA -0.233 4.116 4.350 -0.001 0.000 0.194 174 E C 1.918 178.454 176.600 -0.106 0.000 0.997 174 E CA 1.028 57.381 56.400 -0.079 0.000 0.801 174 E CB -0.159 29.530 29.700 -0.018 0.000 0.746 174 E HN 0.190 8.550 8.360 -0.000 0.000 0.450 175 F N 1.435 121.237 119.950 -0.245 0.000 2.069 175 F HA -0.195 4.331 4.527 -0.001 0.000 0.298 175 F C 1.986 177.634 175.800 -0.253 0.000 1.113 175 F CA 1.566 59.435 58.000 -0.218 0.000 1.214 175 F CB -0.432 38.383 39.000 -0.309 0.000 0.978 175 F HN 0.019 8.319 8.300 -0.000 0.000 0.474 176 L N -0.699 120.237 121.223 -0.478 0.000 2.079 176 L HA -0.253 4.086 4.340 -0.001 0.000 0.210 176 L C 2.781 179.188 176.870 -0.771 0.000 1.081 176 L CA 1.629 56.052 54.840 -0.696 0.000 0.752 176 L CB -1.023 40.547 42.059 -0.815 0.000 0.896 176 L HN 0.272 8.502 8.230 -0.000 0.000 0.433 177 S N -0.539 114.707 115.700 -0.757 0.000 2.355 177 S HA -0.131 4.338 4.470 -0.001 0.000 0.222 177 S C 2.217 176.699 174.600 -0.197 0.000 1.031 177 S CA 0.866 58.841 58.200 -0.375 0.000 0.993 177 S CB -0.034 63.078 63.200 -0.146 0.000 0.859 177 S HN 0.274 8.584 8.310 -0.000 0.000 0.453 178 R N 1.122 121.494 120.500 -0.214 0.000 2.081 178 R HA -0.054 4.285 4.340 -0.001 0.000 0.235 178 R C 2.474 178.698 176.300 -0.128 0.000 1.131 178 R CA 1.610 57.627 56.100 -0.138 0.000 0.960 178 R CB -1.681 28.562 30.300 -0.096 0.000 0.856 178 R HN 0.625 8.895 8.270 -0.000 0.000 0.436 179 V N -0.382 119.372 119.914 -0.267 0.000 2.427 179 V HA -0.128 3.991 4.120 -0.001 0.000 0.248 179 V C 2.394 178.528 176.094 0.068 0.000 1.051 179 V CA 1.813 64.052 62.300 -0.102 0.000 1.048 179 V CB -0.565 30.948 31.823 -0.517 0.000 0.666 179 V HN 0.168 8.358 8.190 -0.000 0.000 0.456 180 K N 1.517 121.888 120.400 -0.048 0.000 2.057 180 K HA -0.228 4.092 4.320 -0.001 0.000 0.206 180 K C 2.162 178.788 176.600 0.044 0.000 1.050 180 K CA 1.965 58.272 56.287 0.032 0.000 0.935 180 K CB -0.135 32.403 32.500 0.063 0.000 0.715 180 K HN 0.760 9.010 8.250 -0.000 0.000 0.439 181 E N 0.231 120.434 120.200 0.005 0.000 2.358 181 E HA -0.139 4.211 4.350 -0.001 0.000 0.195 181 E C 1.606 178.164 176.600 -0.071 0.000 1.010 181 E CA 1.051 57.441 56.400 -0.016 0.000 0.856 181 E CB 0.085 29.773 29.700 -0.020 0.000 0.795 181 E HN 0.474 8.834 8.360 -0.000 0.000 0.504 182 E N -0.929 119.198 120.200 -0.121 0.000 2.251 182 E HA 0.053 4.402 4.350 -0.001 0.000 0.194 182 E C 0.634 176.914 176.600 -0.533 0.000 0.964 182 E CA 0.419 56.595 56.400 -0.374 0.000 0.868 182 E CB 0.106 29.457 29.700 -0.582 0.000 0.828 182 E HN 0.373 8.733 8.360 -0.000 0.000 0.481 183 F N -0.485 119.442 119.950 -0.039 0.000 2.740 183 F HA 0.367 4.893 4.527 -0.001 0.000 0.304 183 F C 1.472 177.271 175.800 -0.001 0.000 1.098 183 F CA 0.272 58.263 58.000 -0.014 0.000 1.258 183 F CB 0.415 39.407 39.000 -0.013 0.000 1.061 183 F HN 0.166 8.466 8.300 -0.000 0.000 0.598 184 G N 1.461 110.359 108.800 0.164 0.000 2.591 184 G HA2 -0.413 3.546 3.960 -0.001 0.000 0.298 184 G HA3 -0.413 3.546 3.960 -0.001 0.000 0.298 184 G C 1.241 176.211 174.900 0.115 0.000 1.195 184 G CA 0.909 46.073 45.100 0.107 0.000 0.989 184 G HN 0.574 8.864 8.290 -0.000 0.000 0.551 185 S N 0.464 116.219 115.700 0.093 0.000 2.607 185 S HA 0.127 4.597 4.470 -0.001 0.000 0.224 185 S C 1.964 176.619 174.600 0.091 0.000 0.969 185 S CA 1.168 59.417 58.200 0.082 0.000 0.927 185 S CB 0.061 63.299 63.200 0.063 0.000 0.772 185 S HN 0.708 9.018 8.310 -0.000 0.000 0.533 186 R N 0.995 121.571 120.500 0.127 0.000 2.115 186 R HA 0.067 4.406 4.340 -0.001 0.000 0.230 186 R C 0.803 177.175 176.300 0.119 0.000 1.111 186 R CA 1.183 57.366 56.100 0.139 0.000 0.976 186 R CB -0.344 30.082 30.300 0.211 0.000 0.870 186 R HN 0.569 8.839 8.270 -0.000 0.000 0.445 187 V N -1.675 118.304 119.914 0.109 0.000 2.769 187 V HA 0.576 4.696 4.120 -0.001 0.000 0.312 187 V C -0.621 175.520 176.094 0.077 0.000 1.061 187 V CA -1.206 61.139 62.300 0.075 0.000 0.931 187 V CB 2.316 34.089 31.823 -0.084 0.000 1.010 187 V HN 0.013 8.203 8.190 -0.000 0.000 0.433 188 R N 3.071 123.635 120.500 0.107 0.000 2.686 188 R HA 0.692 5.031 4.340 -0.001 0.000 0.283 188 R C -1.232 175.133 176.300 0.108 0.000 0.978 188 R CA -0.729 55.413 56.100 0.070 0.000 0.897 188 R CB 2.602 32.919 30.300 0.028 0.000 1.192 188 R HN 0.793 9.063 8.270 -0.000 0.000 0.457 189 I N 4.192 124.789 120.570 0.046 0.000 2.412 189 I HA 0.090 4.259 4.170 -0.001 0.000 0.279 189 I C 0.991 177.025 176.117 -0.139 0.000 1.063 189 I CA -0.384 60.933 61.300 0.029 0.000 1.193 189 I CB 1.226 39.271 38.000 0.075 0.000 1.370 189 I HN 0.602 8.812 8.210 -0.000 0.000 0.479 190 K N 3.448 123.777 120.400 -0.117 0.000 2.362 190 K HA -0.008 4.311 4.320 -0.001 0.000 0.200 190 K C 0.410 176.836 176.600 -0.290 0.000 1.046 190 K CA 0.605 56.791 56.287 -0.169 0.000 0.952 190 K CB 0.054 32.498 32.500 -0.095 0.000 0.753 190 K HN 0.512 8.762 8.250 -0.000 0.000 0.466 191 S N -1.023 114.470 115.700 -0.345 0.000 2.550 191 S HA 0.447 4.916 4.470 -0.001 0.000 0.270 191 S C -1.561 172.802 174.600 -0.395 0.000 1.145 191 S CA -1.146 56.809 58.200 -0.408 0.000 0.852 191 S CB 0.617 63.661 63.200 -0.260 0.000 1.119 191 S HN 0.068 8.378 8.310 -0.000 0.000 0.465 192 Y N 1.122 121.298 120.300 -0.207 0.000 2.356 192 Y HA 0.519 5.068 4.550 -0.001 0.000 0.334 192 Y C -0.085 175.612 175.900 -0.337 0.000 0.958 192 Y CA -1.305 56.618 58.100 -0.296 0.000 1.196 192 Y CB 1.066 39.378 38.460 -0.246 0.000 1.137 192 Y HN 0.743 9.023 8.280 -0.000 0.000 0.485 193 D N 2.946 123.172 120.400 -0.291 0.000 2.329 193 D HA 0.175 4.814 4.640 -0.001 0.000 0.232 193 D C -0.039 176.140 176.300 -0.203 0.000 1.088 193 D CA -0.168 53.688 54.000 -0.240 0.000 0.835 193 D CB 0.599 41.110 40.800 -0.480 0.000 1.078 193 D HN 0.393 8.763 8.370 -0.000 0.000 0.495 194 F N 1.199 121.166 119.950 0.029 0.000 2.743 194 F HA -0.003 4.523 4.527 -0.001 0.000 0.297 194 F C 1.743 177.575 175.800 0.054 0.000 1.131 194 F CA -0.144 57.887 58.000 0.052 0.000 1.426 194 F CB 0.078 39.102 39.000 0.039 0.000 1.116 194 F HN 0.318 8.618 8.300 -0.000 0.000 0.583 195 S N 0.547 116.334 115.700 0.144 0.000 3.533 195 S HA -0.300 4.170 4.470 -0.001 0.000 0.347 195 S C 0.011 174.645 174.600 0.058 0.000 1.101 195 S CA 0.866 59.108 58.200 0.069 0.000 1.009 195 S CB -2.205 61.131 63.200 0.226 0.000 0.916 195 S HN 0.698 9.008 8.310 -0.000 0.000 0.496 196 H N -3.310 115.911 119.070 0.252 0.000 3.047 196 H HA -0.179 4.376 4.556 -0.001 0.000 0.263 196 H C 0.933 176.353 175.328 0.153 0.000 1.168 196 H CA 1.402 57.559 56.048 0.182 0.000 1.152 196 H CB -2.068 27.782 29.762 0.146 0.000 1.278 196 H HN 0.536 8.816 8.280 -0.000 0.000 0.339 197 L N -0.060 121.309 121.223 0.242 0.000 2.395 197 L HA 0.108 4.447 4.340 -0.001 0.000 0.218 197 L C 1.187 178.142 176.870 0.142 0.000 1.130 197 L CA 0.780 55.731 54.840 0.186 0.000 0.826 197 L CB 0.192 42.359 42.059 0.180 0.000 0.941 197 L HN 0.029 8.259 8.230 -0.000 0.000 0.451 198 L N -0.248 121.054 121.223 0.132 0.000 2.341 198 L HA 0.324 4.663 4.340 -0.001 0.000 0.267 198 L C -0.400 176.489 176.870 0.033 0.000 1.009 198 L CA -1.088 53.786 54.840 0.057 0.000 0.819 198 L CB 1.594 43.660 42.059 0.012 0.000 1.323 198 L HN 0.075 8.305 8.230 -0.000 0.000 0.425 199 N N 0.329 119.028 118.700 -0.002 0.000 2.399 199 N HA -0.041 4.698 4.740 -0.001 0.000 0.250 199 N C 0.918 176.424 175.510 -0.006 0.000 1.272 199 N CA -0.595 52.453 53.050 -0.003 0.000 0.928 199 N CB 0.443 38.881 38.487 -0.081 0.000 1.158 199 N HN 0.837 9.217 8.380 -0.000 0.000 0.463 200 W N 0.600 121.874 121.300 -0.043 0.000 2.342 200 W HA -0.133 4.526 4.660 -0.001 0.000 0.297 200 W C 0.572 177.061 176.519 -0.051 0.000 1.213 200 W CA 0.714 58.020 57.345 -0.065 0.000 1.251 200 W CB -0.509 28.922 29.460 -0.048 0.000 1.136 200 W HN 0.481 8.661 8.180 -0.000 0.000 0.526 201 K N 0.548 120.528 120.400 -0.701 0.000 2.097 201 K HA -0.149 4.170 4.320 -0.001 0.000 0.205 201 K C 1.624 178.101 176.600 -0.205 0.000 1.050 201 K CA 1.924 57.832 56.287 -0.632 0.000 0.938 201 K CB -0.280 31.709 32.500 -0.851 0.000 0.718 201 K HN -0.055 8.195 8.250 -0.000 0.000 0.442 202 D N 0.607 120.894 120.400 -0.190 0.000 2.144 202 D HA -0.101 4.538 4.640 -0.001 0.000 0.200 202 D C 1.763 177.996 176.300 -0.112 0.000 0.978 202 D CA 1.059 54.991 54.000 -0.112 0.000 0.833 202 D CB -0.102 40.645 40.800 -0.087 0.000 0.961 202 D HN 0.177 8.547 8.370 -0.000 0.000 0.470 203 A N 0.352 123.064 122.820 -0.179 0.000 1.930 203 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 203 A C 2.027 179.483 177.584 -0.213 0.000 1.175 203 A CA 1.811 53.580 52.037 -0.447 0.000 0.627 203 A CB -0.845 17.797 19.000 -0.596 0.000 0.815 203 A HN 0.295 8.445 8.150 -0.000 0.000 0.443 204 H N 0.090 119.103 119.070 -0.096 0.000 2.352 204 H HA -0.074 4.481 4.556 -0.001 0.000 0.299 204 H C 2.214 177.545 175.328 0.005 0.000 1.097 204 H CA 2.089 58.144 56.048 0.012 0.000 1.311 204 H CB -0.087 29.741 29.762 0.110 0.000 1.377 204 H HN 0.366 8.646 8.280 -0.000 0.000 0.504 205 R N -0.076 120.351 120.500 -0.123 0.000 2.073 205 R HA -0.064 4.275 4.340 -0.001 0.000 0.234 205 R C 2.535 178.782 176.300 -0.089 0.000 1.134 205 R CA 1.085 57.092 56.100 -0.156 0.000 0.952 205 R CB -0.656 29.597 30.300 -0.079 0.000 0.850 205 R HN 0.447 8.717 8.270 -0.000 0.000 0.433 206 A N 1.459 124.270 122.820 -0.015 0.000 1.902 206 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 206 A C 2.254 179.913 177.584 0.126 0.000 1.181 206 A CA 1.126 53.220 52.037 0.095 0.000 0.623 206 A CB -0.509 18.662 19.000 0.285 0.000 0.818 206 A HN 0.171 8.321 8.150 -0.000 0.000 0.443 207 I N -0.259 120.392 120.570 0.136 0.000 2.208 207 I HA -0.307 3.863 4.170 -0.001 0.000 0.245 207 I C 2.414 178.583 176.117 0.085 0.000 1.097 207 I CA 1.620 63.029 61.300 0.182 0.000 1.363 207 I CB -0.289 37.819 38.000 0.181 0.000 1.051 207 I HN 0.309 8.519 8.210 -0.000 0.000 0.413 208 K N 0.819 121.195 120.400 -0.040 0.000 2.097 208 K HA -0.193 4.127 4.320 -0.001 0.000 0.206 208 K C 2.180 178.770 176.600 -0.017 0.000 1.049 208 K CA 1.510 57.764 56.287 -0.055 0.000 0.933 208 K CB -0.229 32.164 32.500 -0.179 0.000 0.717 208 K HN 0.510 8.760 8.250 -0.000 0.000 0.442 209 R N 0.807 121.295 120.500 -0.020 0.000 2.100 209 R HA 0.018 4.357 4.340 -0.001 0.000 0.220 209 R C 2.179 178.485 176.300 0.011 0.000 1.091 209 R CA 0.722 56.815 56.100 -0.012 0.000 0.986 209 R CB -0.548 29.746 30.300 -0.010 0.000 0.888 209 R HN 0.074 8.344 8.270 -0.000 0.000 0.444 210 L N 2.047 123.266 121.223 -0.007 0.000 2.179 210 L HA -0.019 4.320 4.340 -0.001 0.000 0.208 210 L C 2.146 179.053 176.870 0.063 0.000 1.096 210 L CA 1.522 56.314 54.840 -0.080 0.000 0.779 210 L CB -0.561 41.228 42.059 -0.450 0.000 0.922 210 L HN 0.381 8.611 8.230 -0.000 0.000 0.443 211 T N -3.841 110.794 114.554 0.135 0.000 3.163 211 T HA -0.043 4.306 4.350 -0.001 0.000 0.260 211 T C 1.605 176.383 174.700 0.129 0.000 1.156 211 T CA 0.226 62.457 62.100 0.217 0.000 1.072 211 T CB -0.178 68.845 68.868 0.259 0.000 0.937 211 T HN 0.079 8.319 8.240 -0.000 0.000 0.528 212 K N 0.570 120.967 120.400 -0.004 0.000 2.365 212 K HA 0.061 4.380 4.320 -0.001 0.000 0.199 212 K C -0.486 175.919 176.600 -0.325 0.000 1.045 212 K CA 0.547 56.714 56.287 -0.200 0.000 0.962 212 K CB -0.110 32.170 32.500 -0.366 0.000 0.759 212 K HN 0.570 8.820 8.250 -0.000 0.000 0.469 213 Y N 0.674 121.019 120.300 0.074 0.000 2.402 213 Y HA 0.155 4.705 4.550 -0.001 0.000 0.332 213 Y C -0.094 175.882 175.900 0.126 0.000 0.960 213 Y CA -1.523 56.627 58.100 0.083 0.000 1.228 213 Y CB 1.068 39.564 38.460 0.060 0.000 1.120 213 Y HN -0.160 8.120 8.280 -0.000 0.000 0.491 214 D N 4.792 125.313 120.400 0.201 0.000 2.514 214 D HA 0.214 4.853 4.640 -0.001 0.000 0.267 214 D C -0.688 175.678 176.300 0.109 0.000 1.165 214 D CA -0.153 53.931 54.000 0.139 0.000 0.958 214 D CB 0.240 41.145 40.800 0.176 0.000 0.992 214 D HN 0.554 8.924 8.370 -0.000 0.000 0.506 215 L N 2.253 123.532 121.223 0.092 0.000 2.536 215 L HA 0.361 4.700 4.340 -0.001 0.000 0.242 215 L C 1.372 178.257 176.870 0.024 0.000 1.280 215 L CA -0.505 54.375 54.840 0.066 0.000 1.221 215 L CB 0.033 42.130 42.059 0.064 0.000 1.449 215 L HN 0.516 8.746 8.230 -0.000 0.000 0.405 216 G N 1.256 110.075 108.800 0.032 0.000 2.246 216 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.273 216 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.273 216 G C -0.139 174.741 174.900 -0.033 0.000 1.055 216 G CA -0.244 44.868 45.100 0.020 0.000 0.851 216 G HN 0.414 8.704 8.290 -0.000 0.000 0.500 217 L N -0.298 120.871 121.223 -0.091 0.000 2.455 217 L HA 0.466 4.806 4.340 -0.001 0.000 0.272 217 L C 1.168 177.958 176.870 -0.133 0.000 1.174 217 L CA 1.010 55.682 54.840 -0.281 0.000 0.869 217 L CB 0.514 42.224 42.059 -0.582 0.000 1.130 217 L HN 0.377 8.607 8.230 -0.000 0.000 0.474 218 E N 4.849 124.952 120.200 -0.161 0.000 2.290 218 E HA 0.193 4.542 4.350 -0.001 0.000 0.199 218 E C -0.253 176.266 176.600 -0.134 0.000 0.912 218 E CA 0.571 56.938 56.400 -0.055 0.000 0.924 218 E CB 0.406 30.094 29.700 -0.020 0.000 0.901 218 E HN 0.755 9.115 8.360 -0.000 0.000 0.487 219 M N -0.793 118.678 119.600 -0.215 0.000 2.833 219 M HA 0.417 4.896 4.480 -0.001 0.000 0.270 219 M C -1.835 174.357 176.300 -0.180 0.000 1.209 219 M CA -0.898 54.297 55.300 -0.176 0.000 0.826 219 M CB 1.947 34.418 32.600 -0.215 0.000 1.657 219 M HN -0.298 7.992 8.290 -0.000 0.000 0.492 220 I N 1.961 122.491 120.570 -0.066 0.000 2.355 220 I HA 0.457 4.626 4.170 -0.001 0.000 0.288 220 I C -0.612 175.521 176.117 0.028 0.000 0.999 220 I CA -0.062 61.264 61.300 0.043 0.000 1.163 220 I CB 1.244 39.340 38.000 0.160 0.000 1.316 220 I HN 0.799 9.009 8.210 -0.000 0.000 0.454 221 E N 4.240 124.457 120.200 0.029 0.000 2.216 221 E HA 0.369 4.719 4.350 -0.001 0.000 0.279 221 E C 0.134 176.766 176.600 0.054 0.000 0.997 221 E CA -0.159 56.227 56.400 -0.023 0.000 0.817 221 E CB 0.923 30.567 29.700 -0.093 0.000 1.096 221 E HN 0.493 8.853 8.360 -0.000 0.000 0.393 222 S N 4.573 120.258 115.700 -0.025 0.000 3.491 222 S HA -0.111 4.358 4.470 -0.001 0.000 0.371 222 S C -1.866 172.765 174.600 0.053 0.000 0.980 222 S CA 0.731 58.887 58.200 -0.073 0.000 1.204 222 S CB -0.990 61.932 63.200 -0.463 0.000 0.915 222 S HN 0.679 8.989 8.310 -0.000 0.000 0.482 223 P HA 0.375 4.795 4.420 -0.000 0.000 0.256 223 P C 0.142 177.442 177.300 -0.000 0.000 1.335 223 P CA 0.580 63.665 63.100 -0.025 0.000 0.808 223 P CB -0.077 31.578 31.700 -0.075 0.000 1.305 224 A N -0.264 122.627 122.820 0.119 0.000 2.594 224 A HA 0.722 5.042 4.320 -0.001 0.000 0.291 224 A C -3.081 174.646 177.584 0.240 0.000 1.105 224 A CA -2.075 50.061 52.037 0.165 0.000 0.694 224 A CB 0.639 19.729 19.000 0.149 0.000 1.291 224 A HN -0.202 7.948 8.150 -0.000 0.000 0.410 225 P HA 0.161 4.581 4.420 -0.000 0.000 0.269 225 P C -0.570 176.798 177.300 0.113 0.000 1.217 225 P CA -0.058 63.134 63.100 0.154 0.000 0.783 225 P CB 0.329 32.080 31.700 0.084 0.000 0.898 226 R N 2.716 123.214 120.500 -0.004 0.000 2.538 226 R HA 0.011 4.350 4.340 -0.001 0.000 0.282 226 R C 0.523 176.812 176.300 -0.019 0.000 1.009 226 R CA 0.331 56.389 56.100 -0.070 0.000 1.063 226 R CB -0.510 29.575 30.300 -0.357 0.000 0.945 226 R HN 0.548 8.818 8.270 -0.000 0.000 0.414 227 N N 0.822 119.537 118.700 0.026 0.000 2.800 227 N HA -0.200 4.540 4.740 -0.001 0.000 0.250 227 N C -0.627 174.282 175.510 -1.003 0.000 1.078 227 N CA 1.318 54.033 53.050 -0.558 0.000 0.804 227 N CB -0.847 37.507 38.487 -0.223 0.000 1.135 227 N HN 0.660 9.040 8.380 -0.000 0.000 0.565 228 D N 0.342 120.466 120.400 -0.460 0.000 2.558 228 D HA 0.184 4.823 4.640 -0.001 0.000 0.221 228 D C 1.000 177.173 176.300 -0.212 0.000 1.143 228 D CA -0.476 53.357 54.000 -0.279 0.000 1.010 228 D CB -0.488 40.293 40.800 -0.032 0.000 1.068 228 D HN 0.056 8.426 8.370 -0.000 0.000 0.511 229 F N 0.601 120.575 119.950 0.040 0.000 2.134 229 F HA -0.082 4.444 4.527 -0.001 0.000 0.299 229 F C 2.036 177.829 175.800 -0.012 0.000 1.097 229 F CA 0.618 58.619 58.000 0.002 0.000 1.264 229 F CB -0.491 38.505 39.000 -0.006 0.000 1.001 229 F HN 0.240 8.540 8.300 -0.000 0.000 0.479 230 D N -0.045 120.433 120.400 0.130 0.000 2.178 230 D HA -0.080 4.559 4.640 -0.001 0.000 0.202 230 D C 2.550 178.796 176.300 -0.090 0.000 0.974 230 D CA 1.372 55.403 54.000 0.052 0.000 0.841 230 D CB -0.858 39.971 40.800 0.048 0.000 0.953 230 D HN 0.343 8.713 8.370 -0.000 0.000 0.478 231 G N 0.747 109.477 108.800 -0.118 0.000 2.402 231 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.216 231 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.216 231 G C 1.791 176.450 174.900 -0.401 0.000 1.162 231 G CA 0.170 45.031 45.100 -0.398 0.000 0.777 231 G HN 0.236 8.526 8.290 -0.000 0.000 0.539 232 L N -0.930 120.223 121.223 -0.118 0.000 2.046 232 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 232 L C 2.581 179.370 176.870 -0.135 0.000 1.077 232 L CA 1.355 56.147 54.840 -0.080 0.000 0.747 232 L CB -0.496 41.575 42.059 0.019 0.000 0.896 232 L HN 0.294 8.524 8.230 -0.000 0.000 0.432 233 Y N 0.652 120.829 120.300 -0.206 0.000 2.128 233 Y HA -0.296 4.254 4.550 -0.001 0.000 0.284 233 Y C 2.798 178.510 175.900 -0.313 0.000 1.154 233 Y CA 1.591 59.568 58.100 -0.205 0.000 1.149 233 Y CB -0.159 38.211 38.460 -0.150 0.000 0.976 233 Y HN 0.157 8.437 8.280 -0.000 0.000 0.505 234 Q N -0.270 119.197 119.800 -0.556 0.000 2.050 234 Q HA -0.180 4.159 4.340 -0.001 0.000 0.202 234 Q C 2.364 177.911 176.000 -0.755 0.000 0.980 234 Q CA 1.498 56.803 55.803 -0.829 0.000 0.840 234 Q CB -0.918 26.964 28.738 -1.428 0.000 0.898 234 Q HN 0.494 8.764 8.270 -0.000 0.000 0.424 235 L N 1.009 121.835 121.223 -0.661 0.000 2.083 235 L HA -0.128 4.211 4.340 -0.001 0.000 0.209 235 L C 2.477 179.205 176.870 -0.236 0.000 1.083 235 L CA 1.616 56.270 54.840 -0.310 0.000 0.752 235 L CB -0.507 41.478 42.059 -0.123 0.000 0.899 235 L HN 0.134 8.364 8.230 -0.000 0.000 0.433 236 R N -0.837 119.491 120.500 -0.286 0.000 2.096 236 R HA -0.147 4.192 4.340 -0.001 0.000 0.235 236 R C 2.125 178.268 176.300 -0.262 0.000 1.127 236 R CA 1.546 57.506 56.100 -0.234 0.000 0.968 236 R CB -0.237 29.921 30.300 -0.236 0.000 0.861 236 R HN 0.410 8.680 8.270 -0.000 0.000 0.440 237 L N 0.085 121.070 121.223 -0.398 0.000 2.240 237 L HA -0.055 4.285 4.340 -0.001 0.000 0.211 237 L C 1.797 178.542 176.870 -0.208 0.000 1.106 237 L CA 1.169 55.810 54.840 -0.331 0.000 0.793 237 L CB -0.090 41.703 42.059 -0.444 0.000 0.927 237 L HN 0.136 8.366 8.230 -0.000 0.000 0.446 238 K N -0.938 119.339 120.400 -0.205 0.000 2.374 238 K HA 0.113 4.432 4.320 -0.001 0.000 0.196 238 K C 0.044 176.653 176.600 0.015 0.000 1.023 238 K CA 0.149 56.363 56.287 -0.122 0.000 1.103 238 K CB 0.478 32.812 32.500 -0.277 0.000 0.848 238 K HN 0.089 8.339 8.250 -0.000 0.000 0.528 239 T N 1.404 115.960 114.554 0.003 0.000 2.770 239 T HA 0.113 4.462 4.350 -0.001 0.000 0.283 239 T C 0.021 174.739 174.700 0.030 0.000 0.988 239 T CA -0.667 61.486 62.100 0.087 0.000 0.957 239 T CB 1.658 70.594 68.868 0.113 0.000 0.930 239 T HN -0.050 8.190 8.240 -0.000 0.000 0.443 240 D N 1.300 121.704 120.400 0.007 0.000 2.144 240 D HA -0.031 4.608 4.640 -0.001 0.000 0.199 240 D C 0.364 176.547 176.300 -0.196 0.000 0.984 240 D CA 1.369 55.281 54.000 -0.146 0.000 0.834 240 D CB -0.049 40.580 40.800 -0.285 0.000 0.955 240 D HN 0.559 8.929 8.370 -0.000 0.000 0.465 241 Y N 0.158 120.459 120.300 0.002 0.000 2.314 241 Y HA 0.263 4.813 4.550 -0.001 0.000 0.334 241 Y C -1.704 174.168 175.900 -0.047 0.000 1.266 241 Y CA -2.238 55.850 58.100 -0.020 0.000 1.391 241 Y CB -0.150 38.302 38.460 -0.014 0.000 1.306 241 Y HN -0.188 8.092 8.280 -0.000 0.000 0.558 242 P HA 0.006 4.426 4.420 -0.000 0.000 0.268 242 P C -0.824 176.455 177.300 -0.035 0.000 1.205 242 P CA 0.258 63.345 63.100 -0.022 0.000 0.771 242 P CB 0.436 32.071 31.700 -0.108 0.000 0.858 243 I N 2.190 122.720 120.570 -0.067 0.000 2.359 243 I HA 0.245 4.415 4.170 -0.001 0.000 0.294 243 I C 0.641 176.670 176.117 -0.147 0.000 0.987 243 I CA -0.204 61.049 61.300 -0.080 0.000 1.225 243 I CB 1.016 38.967 38.000 -0.082 0.000 1.366 243 I HN 0.358 8.568 8.210 -0.000 0.000 0.466 244 S N 4.971 120.578 115.700 -0.155 0.000 2.536 244 S HA 0.831 5.300 4.470 -0.001 0.000 0.298 244 S C -0.732 173.724 174.600 -0.241 0.000 1.083 244 S CA -0.672 57.394 58.200 -0.224 0.000 0.995 244 S CB 3.059 66.130 63.200 -0.215 0.000 1.058 244 S HN 0.550 8.860 8.310 -0.000 0.000 0.488 245 E N 0.370 120.375 120.200 -0.326 0.000 2.366 245 E HA 0.339 4.688 4.350 -0.001 0.000 0.278 245 E C -1.438 174.938 176.600 -0.373 0.000 0.923 245 E CA -0.567 55.656 56.400 -0.295 0.000 0.761 245 E CB 1.095 30.654 29.700 -0.234 0.000 1.231 245 E HN 0.783 9.143 8.360 -0.000 0.000 0.443 246 H N 1.167 120.111 119.070 -0.210 0.000 2.690 246 H HA 0.319 4.874 4.556 -0.001 0.000 0.365 246 H C -0.331 174.730 175.328 -0.444 0.000 1.142 246 H CA -0.112 55.798 56.048 -0.229 0.000 1.417 246 H CB 1.118 30.708 29.762 -0.287 0.000 1.446 246 H HN 0.134 8.414 8.280 -0.000 0.000 0.599 247 V N 3.934 123.801 119.914 -0.078 0.000 2.347 247 V HA -0.008 4.112 4.120 -0.001 0.000 0.280 247 V C -0.147 175.958 176.094 0.019 0.000 1.021 247 V CA -0.310 61.905 62.300 -0.142 0.000 0.847 247 V CB 0.672 32.549 31.823 0.090 0.000 0.990 247 V HN 0.903 9.093 8.190 -0.000 0.000 0.444 248 W N 3.669 125.012 121.300 0.071 0.000 2.870 248 W HA 0.584 5.243 4.660 -0.001 0.000 0.358 248 W C 0.411 176.957 176.519 0.045 0.000 1.043 248 W CA -0.117 57.265 57.345 0.061 0.000 1.692 248 W CB -0.213 29.223 29.460 -0.041 0.000 1.100 248 W HN 0.551 8.731 8.180 -0.000 0.000 0.557 249 S N -1.137 114.653 115.700 0.150 0.000 2.565 249 S HA 0.344 4.813 4.470 -0.001 0.000 0.274 249 S C -0.120 174.573 174.600 0.156 0.000 1.144 249 S CA -0.626 57.643 58.200 0.115 0.000 0.849 249 S CB 0.284 63.622 63.200 0.230 0.000 1.103 249 S HN -0.115 8.195 8.310 -0.000 0.000 0.455 250 F N 1.518 121.497 119.950 0.048 0.000 2.171 250 F HA 0.143 4.670 4.527 -0.001 0.000 0.300 250 F C 2.458 178.250 175.800 -0.013 0.000 1.090 250 F CA 1.230 59.232 58.000 0.003 0.000 1.293 250 F CB -0.872 38.132 39.000 0.007 0.000 1.013 250 F HN 0.697 8.997 8.300 -0.000 0.000 0.486 251 K N 0.784 121.310 120.400 0.210 0.000 2.057 251 K HA -0.202 4.118 4.320 -0.001 0.000 0.207 251 K C 2.136 178.761 176.600 0.042 0.000 1.049 251 K CA 1.445 57.801 56.287 0.116 0.000 0.931 251 K CB -0.628 31.952 32.500 0.134 0.000 0.714 251 K HN 0.288 8.538 8.250 -0.000 0.000 0.440 252 Q N 0.404 120.254 119.800 0.084 0.000 2.050 252 Q HA -0.243 4.096 4.340 -0.001 0.000 0.202 252 Q C 2.197 178.092 176.000 -0.175 0.000 0.980 252 Q CA 1.895 57.703 55.803 0.009 0.000 0.840 252 Q CB -0.140 28.597 28.738 -0.001 0.000 0.898 252 Q HN 0.606 8.876 8.270 -0.000 0.000 0.424 253 Q N 0.144 119.908 119.800 -0.059 0.000 2.084 253 Q HA -0.247 4.093 4.340 -0.001 0.000 0.202 253 Q C 2.192 178.160 176.000 -0.053 0.000 0.978 253 Q CA 1.833 57.642 55.803 0.010 0.000 0.844 253 Q CB -0.109 28.668 28.738 0.065 0.000 0.898 253 Q HN 0.494 8.764 8.270 -0.000 0.000 0.426 254 Q N -0.246 119.502 119.800 -0.086 0.000 2.096 254 Q HA -0.224 4.115 4.340 -0.001 0.000 0.204 254 Q C 1.685 177.571 176.000 -0.191 0.000 0.982 254 Q CA 1.478 57.211 55.803 -0.117 0.000 0.850 254 Q CB 0.038 28.730 28.738 -0.077 0.000 0.901 254 Q HN 0.373 8.643 8.270 -0.000 0.000 0.422 255 E N 0.346 120.339 120.200 -0.344 0.000 2.077 255 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 255 E C 2.038 178.319 176.600 -0.531 0.000 0.989 255 E CA 1.333 57.392 56.400 -0.568 0.000 0.800 255 E CB -0.241 28.738 29.700 -1.202 0.000 0.746 255 E HN 0.541 8.901 8.360 -0.000 0.000 0.452 256 M N -0.068 119.248 119.600 -0.474 0.000 2.175 256 M HA -0.079 4.400 4.480 -0.001 0.000 0.264 256 M C 2.364 178.665 176.300 0.002 0.000 1.063 256 M CA 1.029 56.214 55.300 -0.193 0.000 1.119 256 M CB -0.212 32.324 32.600 -0.107 0.000 1.377 256 M HN 0.046 8.336 8.290 -0.000 0.000 0.415 257 I N 0.228 120.827 120.570 0.049 0.000 2.163 257 I HA -0.285 3.884 4.170 -0.001 0.000 0.240 257 I C 2.312 178.416 176.117 -0.022 0.000 1.081 257 I CA 1.409 62.746 61.300 0.062 0.000 1.353 257 I CB -0.329 37.643 38.000 -0.046 0.000 1.054 257 I HN 0.240 8.450 8.210 -0.000 0.000 0.407 258 K N 0.920 121.271 120.400 -0.081 0.000 2.063 258 K HA -0.191 4.128 4.320 -0.001 0.000 0.208 258 K C 1.958 178.496 176.600 -0.103 0.000 1.048 258 K CA 1.455 57.687 56.287 -0.092 0.000 0.928 258 K CB -0.104 32.330 32.500 -0.109 0.000 0.713 258 K HN 0.262 8.512 8.250 -0.000 0.000 0.442 259 K N 0.413 120.738 120.400 -0.126 0.000 2.418 259 K HA -0.067 4.252 4.320 -0.001 0.000 0.195 259 K C -0.087 176.441 176.600 -0.120 0.000 1.035 259 K CA 0.383 56.566 56.287 -0.174 0.000 1.003 259 K CB 0.166 32.566 32.500 -0.167 0.000 0.793 259 K HN 0.056 8.306 8.250 -0.000 0.000 0.494 260 D N -0.159 120.233 120.400 -0.012 0.000 2.699 260 D HA -0.197 4.443 4.640 -0.001 0.000 0.239 260 D C 0.504 176.900 176.300 0.160 0.000 1.136 260 D CA 0.645 54.692 54.000 0.078 0.000 0.668 260 D CB -0.996 39.859 40.800 0.093 0.000 1.060 260 D HN 0.326 8.696 8.370 -0.000 0.000 0.429 261 A N -0.136 122.742 122.820 0.097 0.000 2.016 261 A HA 0.255 4.574 4.320 -0.001 0.000 0.217 261 A C 1.448 179.031 177.584 -0.002 0.000 1.162 261 A CA 1.219 53.328 52.037 0.121 0.000 0.662 261 A CB -0.082 18.971 19.000 0.089 0.000 0.812 261 A HN 0.688 8.838 8.150 -0.000 0.000 0.450 262 I N -6.540 113.966 120.570 -0.106 0.000 3.239 262 I HA 0.519 4.688 4.170 -0.001 0.000 0.314 262 I C -0.567 175.444 176.117 -0.177 0.000 1.126 262 I CA -0.863 60.309 61.300 -0.213 0.000 0.973 262 I CB 1.425 39.170 38.000 -0.425 0.000 1.252 262 I HN -0.152 8.058 8.210 -0.000 0.000 0.463 263 D N 1.251 121.545 120.400 -0.177 0.000 2.463 263 D HA 0.369 5.008 4.640 -0.001 0.000 0.237 263 D C 0.278 176.538 176.300 -0.067 0.000 1.013 263 D CA 1.105 55.055 54.000 -0.084 0.000 0.910 263 D CB 1.467 42.227 40.800 -0.067 0.000 1.080 263 D HN 0.360 8.730 8.370 -0.000 0.000 0.498 264 I N 0.862 121.326 120.570 -0.176 0.000 2.466 264 I HA 0.241 4.410 4.170 -0.001 0.000 0.289 264 I C -1.021 174.959 176.117 -0.229 0.000 1.026 264 I CA -0.757 60.484 61.300 -0.097 0.000 1.078 264 I CB 2.118 40.050 38.000 -0.114 0.000 1.249 264 I HN -0.308 7.902 8.210 -0.000 0.000 0.429 265 F N 4.163 124.078 119.950 -0.057 0.000 2.404 265 F HA 0.245 4.772 4.527 -0.001 0.000 0.358 265 F C 0.741 176.503 175.800 -0.064 0.000 1.120 265 F CA -0.314 57.643 58.000 -0.072 0.000 1.144 265 F CB 0.663 39.632 39.000 -0.051 0.000 1.133 265 F HN 0.451 8.751 8.300 -0.000 0.000 0.495 266 N N 5.056 123.743 118.700 -0.022 0.000 2.437 266 N HA 0.428 5.167 4.740 -0.001 0.000 0.243 266 N C -1.040 174.534 175.510 0.108 0.000 1.041 266 N CA -0.237 52.792 53.050 -0.036 0.000 0.940 266 N CB 0.455 38.747 38.487 -0.324 0.000 1.133 266 N HN 0.493 8.873 8.380 -0.000 0.000 0.506 267 I N 2.016 122.682 120.570 0.160 0.000 2.441 267 I HA 0.304 4.473 4.170 -0.001 0.000 0.295 267 I C -0.397 175.857 176.117 0.228 0.000 0.994 267 I CA -0.604 60.816 61.300 0.199 0.000 1.144 267 I CB 1.915 40.000 38.000 0.143 0.000 1.314 267 I HN 0.400 8.610 8.210 -0.000 0.000 0.445 268 S N 6.381 122.253 115.700 0.287 0.000 2.614 268 S HA 0.321 4.790 4.470 -0.001 0.000 0.288 268 S C -2.048 172.634 174.600 0.137 0.000 1.137 268 S CA -0.942 57.398 58.200 0.233 0.000 0.992 268 S CB 2.222 65.642 63.200 0.366 0.000 1.026 268 S HN 0.363 8.673 8.310 -0.000 0.000 0.486 269 P HA -0.135 4.285 4.420 -0.000 0.000 0.216 269 P C 1.576 178.854 177.300 -0.036 0.000 1.150 269 P CA 0.643 63.746 63.100 0.005 0.000 0.843 269 P CB 0.185 31.867 31.700 -0.029 0.000 0.787 270 V N -1.596 118.217 119.914 -0.167 0.000 2.490 270 V HA -0.211 3.909 4.120 -0.001 0.000 0.250 270 V C 1.569 177.569 176.094 -0.157 0.000 1.061 270 V CA 1.829 63.959 62.300 -0.282 0.000 1.064 270 V CB -1.020 30.436 31.823 -0.612 0.000 0.670 270 V HN -0.047 8.143 8.190 -0.000 0.000 0.461 271 F N -1.181 118.901 119.950 0.221 0.000 2.776 271 F HA 0.309 4.835 4.527 -0.001 0.000 0.300 271 F C 1.490 177.402 175.800 0.187 0.000 1.116 271 F CA 0.329 58.492 58.000 0.272 0.000 1.375 271 F CB 0.022 39.240 39.000 0.364 0.000 1.109 271 F HN 0.176 8.476 8.300 -0.000 0.000 0.585 272 I N -0.989 119.721 120.570 0.233 0.000 4.154 272 I HA 0.410 4.579 4.170 -0.001 0.000 0.334 272 I C 1.374 177.490 176.117 -0.002 0.000 1.371 272 I CA 0.345 61.710 61.300 0.109 0.000 1.110 272 I CB 0.042 38.114 38.000 0.120 0.000 1.085 272 I HN 0.116 8.326 8.210 -0.000 0.000 0.398 273 G N 0.320 109.133 108.800 0.021 0.000 2.138 273 G HA2 0.208 4.167 3.960 -0.001 0.000 0.193 273 G HA3 0.208 4.167 3.960 -0.001 0.000 0.193 273 G C 0.727 175.623 174.900 -0.007 0.000 0.998 273 G CA -0.198 44.894 45.100 -0.014 0.000 0.668 273 G HN 1.348 9.638 8.290 -0.000 0.000 0.516 274 G N -1.853 106.944 108.800 -0.005 0.000 2.423 274 G HA2 0.192 4.152 3.960 -0.001 0.000 0.684 274 G HA3 0.192 4.152 3.960 -0.001 0.000 0.684 274 G C 0.671 175.550 174.900 -0.035 0.000 1.309 274 G CA -0.089 45.001 45.100 -0.016 0.000 0.950 274 G HN 0.985 9.275 8.290 -0.000 0.000 0.587 275 L N -0.057 121.096 121.223 -0.116 0.000 2.042 275 L HA -0.118 4.221 4.340 -0.001 0.000 0.210 275 L C 3.295 180.106 176.870 -0.098 0.000 1.076 275 L CA 2.470 57.185 54.840 -0.209 0.000 0.749 275 L CB -0.735 40.951 42.059 -0.621 0.000 0.893 275 L HN 0.786 9.016 8.230 -0.000 0.000 0.432 276 T N -1.126 113.453 114.554 0.040 0.000 2.684 276 T HA -0.187 4.162 4.350 -0.001 0.000 0.267 276 T C 2.114 176.854 174.700 0.067 0.000 1.036 276 T CA 1.834 63.998 62.100 0.106 0.000 1.148 276 T CB -0.135 68.833 68.868 0.167 0.000 0.863 276 T HN 0.278 8.518 8.240 -0.000 0.000 0.436 277 S N 1.013 116.769 115.700 0.093 0.000 2.402 277 S HA 0.069 4.538 4.470 -0.001 0.000 0.229 277 S C 2.523 177.222 174.600 0.166 0.000 1.021 277 S CA 0.785 59.096 58.200 0.185 0.000 0.974 277 S CB -0.414 62.820 63.200 0.056 0.000 0.800 277 S HN 0.569 8.879 8.310 -0.000 0.000 0.484 278 A N 1.853 124.704 122.820 0.052 0.000 1.930 278 A HA -0.094 4.226 4.320 -0.001 0.000 0.217 278 A C 2.028 179.556 177.584 -0.094 0.000 1.175 278 A CA 1.322 53.370 52.037 0.020 0.000 0.627 278 A CB -0.359 18.641 19.000 -0.000 0.000 0.815 278 A HN 0.428 8.578 8.150 -0.000 0.000 0.443 279 K N -0.035 120.249 120.400 -0.195 0.000 2.057 279 K HA -0.128 4.191 4.320 -0.001 0.000 0.207 279 K C 2.053 178.235 176.600 -0.696 0.000 1.049 279 K CA 1.617 57.589 56.287 -0.525 0.000 0.931 279 K CB -0.171 32.035 32.500 -0.489 0.000 0.714 279 K HN 0.420 8.670 8.250 -0.000 0.000 0.440 280 K N 0.563 120.775 120.400 -0.313 0.000 2.063 280 K HA -0.133 4.186 4.320 -0.001 0.000 0.208 280 K C 2.260 178.714 176.600 -0.244 0.000 1.048 280 K CA 1.370 57.514 56.287 -0.238 0.000 0.928 280 K CB -0.192 32.237 32.500 -0.119 0.000 0.713 280 K HN 0.132 8.382 8.250 -0.000 0.000 0.442 281 A N 1.532 124.287 122.820 -0.109 0.000 1.902 281 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 281 A C 2.384 179.879 177.584 -0.149 0.000 1.181 281 A CA 1.861 53.848 52.037 -0.083 0.000 0.623 281 A CB -0.698 18.367 19.000 0.108 0.000 0.818 281 A HN 0.343 8.493 8.150 -0.000 0.000 0.443 282 A N -1.250 121.483 122.820 -0.145 0.000 1.902 282 A HA -0.056 4.264 4.320 -0.001 0.000 0.217 282 A C 2.089 179.688 177.584 0.026 0.000 1.181 282 A CA 1.567 53.555 52.037 -0.082 0.000 0.623 282 A CB -0.731 18.221 19.000 -0.080 0.000 0.818 282 A HN 0.552 8.702 8.150 -0.000 0.000 0.443 283 Y N -0.255 119.983 120.300 -0.102 0.000 2.242 283 Y HA 0.005 4.555 4.550 -0.001 0.000 0.291 283 Y C 2.937 178.739 175.900 -0.164 0.000 1.137 283 Y CA 0.094 58.126 58.100 -0.113 0.000 1.181 283 Y CB -1.320 37.083 38.460 -0.096 0.000 0.989 283 Y HN 0.337 8.617 8.280 -0.000 0.000 0.527 284 A N 0.165 122.942 122.820 -0.071 0.000 1.933 284 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 284 A C 2.535 179.960 177.584 -0.264 0.000 1.175 284 A CA 1.887 53.810 52.037 -0.191 0.000 0.628 284 A CB -1.039 17.788 19.000 -0.289 0.000 0.814 284 A HN 0.359 8.509 8.150 -0.000 0.000 0.444 285 A N -0.503 122.112 122.820 -0.343 0.000 1.898 285 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 285 A C 2.029 179.506 177.584 -0.180 0.000 1.181 285 A CA 1.691 53.458 52.037 -0.450 0.000 0.620 285 A CB -0.500 18.203 19.000 -0.495 0.000 0.819 285 A HN 0.657 8.807 8.150 -0.000 0.000 0.442 286 E N -0.116 120.037 120.200 -0.079 0.000 2.051 286 E HA -0.142 4.207 4.350 -0.001 0.000 0.192 286 E C 1.844 178.412 176.600 -0.053 0.000 0.991 286 E CA 1.499 57.881 56.400 -0.030 0.000 0.799 286 E CB -0.118 29.587 29.700 0.008 0.000 0.748 286 E HN 0.317 8.677 8.360 -0.000 0.000 0.449 287 V N 1.025 120.897 119.914 -0.070 0.000 2.490 287 V HA -0.219 3.900 4.120 -0.001 0.000 0.250 287 V C 2.160 178.213 176.094 -0.069 0.000 1.061 287 V CA 1.699 63.955 62.300 -0.072 0.000 1.064 287 V CB -0.490 31.285 31.823 -0.080 0.000 0.670 287 V HN 0.390 8.580 8.190 -0.000 0.000 0.461 288 A N -1.411 121.356 122.820 -0.088 0.000 2.259 288 A HA 0.187 4.506 4.320 -0.001 0.000 0.208 288 A C 1.337 178.908 177.584 -0.022 0.000 1.201 288 A CA 0.761 52.760 52.037 -0.065 0.000 0.824 288 A CB -0.265 18.676 19.000 -0.099 0.000 0.838 288 A HN 0.530 8.680 8.150 -0.000 0.000 0.485 289 S N -0.530 115.158 115.700 -0.021 0.000 3.698 289 S HA -0.106 4.363 4.470 -0.001 0.000 0.338 289 S C -0.066 174.558 174.600 0.040 0.000 1.089 289 S CA 1.048 59.251 58.200 0.006 0.000 0.991 289 S CB -1.006 62.198 63.200 0.007 0.000 0.909 289 S HN 0.675 8.985 8.310 -0.000 0.000 0.485 290 K N 1.156 121.586 120.400 0.050 0.000 2.267 290 K HA 0.505 4.824 4.320 -0.001 0.000 0.246 290 K C -0.196 176.487 176.600 0.138 0.000 0.954 290 K CA -0.851 55.517 56.287 0.136 0.000 0.824 290 K CB 0.963 33.633 32.500 0.284 0.000 1.167 290 K HN 0.047 8.297 8.250 -0.000 0.000 0.431 291 D N 0.457 120.962 120.400 0.175 0.000 2.344 291 D HA 0.343 4.983 4.640 -0.001 0.000 0.244 291 D C -0.386 176.034 176.300 0.201 0.000 1.134 291 D CA -0.223 53.878 54.000 0.169 0.000 0.930 291 D CB 1.132 42.051 40.800 0.198 0.000 1.175 291 D HN -0.028 8.342 8.370 -0.000 0.000 0.437 292 V N 0.634 120.645 119.914 0.161 0.000 2.962 292 V HA 0.625 4.744 4.120 -0.001 0.000 0.313 292 V C -0.394 175.774 176.094 0.124 0.000 1.099 292 V CA -0.772 61.619 62.300 0.152 0.000 0.971 292 V CB 2.216 34.110 31.823 0.119 0.000 1.028 292 V HN 0.453 8.643 8.190 -0.000 0.000 0.430 293 V N 1.370 121.345 119.914 0.102 0.000 3.114 293 V HA 0.729 4.848 4.120 -0.001 0.000 0.308 293 V C -1.408 174.741 176.094 0.090 0.000 1.168 293 V CA -1.018 61.333 62.300 0.086 0.000 1.015 293 V CB 2.027 33.884 31.823 0.057 0.000 1.050 293 V HN 0.523 8.713 8.190 -0.000 0.000 0.433 294 L N 2.935 124.217 121.223 0.097 0.000 2.312 294 L HA 0.830 5.169 4.340 -0.001 0.000 0.281 294 L C 0.989 177.949 176.870 0.151 0.000 1.070 294 L CA 0.930 55.843 54.840 0.122 0.000 0.805 294 L CB 1.032 43.156 42.059 0.110 0.000 1.174 294 L HN 1.134 9.364 8.230 -0.000 0.000 0.434 295 G N 1.607 110.540 108.800 0.223 0.000 2.547 295 G HA2 0.412 4.371 3.960 -0.001 0.000 0.291 295 G HA3 0.412 4.371 3.960 -0.001 0.000 0.291 295 G C -0.379 174.711 174.900 0.316 0.000 1.211 295 G CA -0.335 44.955 45.100 0.316 0.000 0.950 295 G HN 0.483 8.773 8.290 -0.000 0.000 0.504 296 T N -0.154 114.618 114.554 0.363 0.000 2.910 296 T HA 0.574 4.923 4.350 -0.001 0.000 0.293 296 T C 0.556 175.470 174.700 0.356 0.000 1.015 296 T CA 0.389 62.665 62.100 0.293 0.000 1.094 296 T CB 0.870 69.896 68.868 0.262 0.000 0.968 296 T HN 0.948 9.188 8.240 -0.000 0.000 0.521 297 T N 0.662 115.351 114.554 0.225 0.000 2.787 297 T HA 0.394 4.743 4.350 -0.001 0.000 0.297 297 T C -0.018 174.739 174.700 0.096 0.000 1.221 297 T CA -0.887 61.308 62.100 0.157 0.000 1.006 297 T CB 1.568 70.424 68.868 -0.020 0.000 1.328 297 T HN 0.422 8.662 8.240 -0.000 0.000 0.509 298 Q N -0.089 119.733 119.800 0.037 0.000 2.246 298 Q HA 0.212 4.551 4.340 -0.001 0.000 0.202 298 Q C -0.091 176.052 176.000 0.239 0.000 0.883 298 Q CA -0.101 55.753 55.803 0.085 0.000 0.952 298 Q CB 0.306 29.038 28.738 -0.010 0.000 1.078 298 Q HN 0.618 8.888 8.270 -0.000 0.000 0.493 299 E N 0.795 121.074 120.200 0.131 0.000 2.415 299 E HA 0.056 4.405 4.350 -0.001 0.000 0.262 299 E C -0.177 176.574 176.600 0.251 0.000 1.038 299 E CA 0.043 56.545 56.400 0.170 0.000 0.921 299 E CB 0.792 30.525 29.700 0.055 0.000 0.950 299 E HN 0.183 8.543 8.360 -0.000 0.000 0.438 300 L N 0.740 122.063 121.223 0.167 0.000 2.946 300 L HA 0.094 4.433 4.340 -0.001 0.000 0.189 300 L C 1.779 178.701 176.870 0.088 0.000 1.249 300 L CA -0.324 54.555 54.840 0.065 0.000 1.098 300 L CB 0.078 42.046 42.059 -0.151 0.000 2.064 300 L HN 0.500 8.730 8.230 -0.000 0.000 0.522 301 S N -0.759 114.977 115.700 0.059 0.000 2.402 301 S HA -0.125 4.345 4.470 -0.001 0.000 0.229 301 S C 1.749 176.380 174.600 0.051 0.000 1.021 301 S CA 0.744 58.984 58.200 0.067 0.000 0.974 301 S CB -0.093 63.141 63.200 0.057 0.000 0.800 301 S HN 0.379 8.689 8.310 -0.000 0.000 0.484 302 V N 1.431 121.368 119.914 0.039 0.000 2.261 302 V HA -0.145 3.974 4.120 -0.001 0.000 0.246 302 V C 2.617 178.739 176.094 0.048 0.000 1.047 302 V CA 2.074 64.400 62.300 0.042 0.000 1.015 302 V CB -1.398 30.443 31.823 0.031 0.000 0.642 302 V HN 0.574 8.764 8.190 -0.000 0.000 0.446 303 G N -0.851 107.976 108.800 0.044 0.000 2.408 303 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.217 303 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.217 303 G C 1.674 176.598 174.900 0.041 0.000 1.150 303 G CA 1.359 46.478 45.100 0.031 0.000 0.776 303 G HN 0.471 8.761 8.290 -0.000 0.000 0.542 304 T N 1.613 116.205 114.554 0.063 0.000 2.867 304 T HA 0.079 4.428 4.350 -0.001 0.000 0.268 304 T C 2.769 177.492 174.700 0.037 0.000 1.057 304 T CA 1.201 63.343 62.100 0.071 0.000 1.136 304 T CB -0.225 68.715 68.868 0.119 0.000 0.874 304 T HN 0.356 8.596 8.240 -0.000 0.000 0.466 305 A N 1.501 124.342 122.820 0.036 0.000 1.933 305 A HA 0.145 4.465 4.320 -0.001 0.000 0.218 305 A C 2.640 180.279 177.584 0.092 0.000 1.175 305 A CA 1.733 53.781 52.037 0.017 0.000 0.628 305 A CB -1.027 18.012 19.000 0.065 0.000 0.814 305 A HN 0.503 8.653 8.150 -0.000 0.000 0.444 306 A N -0.649 122.242 122.820 0.118 0.000 1.902 306 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 306 A C 2.256 179.894 177.584 0.090 0.000 1.181 306 A CA 1.817 53.931 52.037 0.129 0.000 0.623 306 A CB -0.511 18.511 19.000 0.038 0.000 0.818 306 A HN 0.519 8.669 8.150 -0.000 0.000 0.443 307 M N -0.794 118.837 119.600 0.052 0.000 2.229 307 M HA -0.126 4.353 4.480 -0.001 0.000 0.264 307 M C 2.487 178.809 176.300 0.036 0.000 1.063 307 M CA 1.171 56.499 55.300 0.047 0.000 1.114 307 M CB -0.345 32.289 32.600 0.058 0.000 1.387 307 M HN 0.527 8.817 8.290 -0.000 0.000 0.420 308 A N -0.398 122.417 122.820 -0.010 0.000 1.877 308 A HA -0.203 4.116 4.320 -0.001 0.000 0.216 308 A C 1.622 179.168 177.584 -0.064 0.000 1.186 308 A CA 1.769 53.761 52.037 -0.075 0.000 0.620 308 A CB -1.122 17.773 19.000 -0.176 0.000 0.822 308 A HN 0.511 8.661 8.150 -0.000 0.000 0.443 309 H N -0.824 118.259 119.070 0.023 0.000 2.321 309 H HA -0.044 4.511 4.556 -0.001 0.000 0.300 309 H C 2.056 177.402 175.328 0.028 0.000 1.087 309 H CA 1.528 57.595 56.048 0.032 0.000 1.319 309 H CB -0.101 29.685 29.762 0.041 0.000 1.379 309 H HN 0.345 8.625 8.280 -0.000 0.000 0.501 310 L N 0.059 121.366 121.223 0.140 0.000 1.989 310 L HA -0.156 4.183 4.340 -0.001 0.000 0.211 310 L C 2.549 179.459 176.870 0.067 0.000 1.071 310 L CA 1.713 56.597 54.840 0.074 0.000 0.749 310 L CB -0.843 41.237 42.059 0.034 0.000 0.890 310 L HN 0.485 8.715 8.230 -0.000 0.000 0.431 311 G N -1.075 107.759 108.800 0.057 0.000 2.442 311 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.219 311 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.219 311 G C 1.434 176.362 174.900 0.045 0.000 1.141 311 G CA 0.954 46.085 45.100 0.051 0.000 0.763 311 G HN 0.538 8.828 8.290 -0.000 0.000 0.554 312 C N 1.255 120.580 119.300 0.041 0.000 2.539 312 C HA 0.210 4.669 4.460 -0.001 0.000 0.271 312 C C 2.984 178.007 174.990 0.056 0.000 1.412 312 C CA 0.806 59.844 59.018 0.034 0.000 1.729 312 C CB -0.858 26.894 27.740 0.019 0.000 1.739 312 C HN 0.580 8.810 8.230 -0.000 0.000 0.570 313 S N -0.768 114.977 115.700 0.075 0.000 2.511 313 S HA 0.277 4.747 4.470 -0.001 0.000 0.214 313 S C 0.301 174.955 174.600 0.090 0.000 0.997 313 S CA -0.039 58.213 58.200 0.086 0.000 0.908 313 S CB -0.180 63.082 63.200 0.105 0.000 0.803 313 S HN 0.524 8.834 8.310 -0.000 0.000 0.504 314 L N 2.412 123.685 121.223 0.084 0.000 2.375 314 L HA 0.383 4.722 4.340 -0.001 0.000 0.271 314 L C 1.536 178.445 176.870 0.065 0.000 1.107 314 L CA -0.129 54.767 54.840 0.094 0.000 0.806 314 L CB 1.227 43.340 42.059 0.090 0.000 1.146 314 L HN 0.336 8.566 8.230 -0.000 0.000 0.447 315 T N -3.383 111.207 114.554 0.061 0.000 3.069 315 T HA 0.021 4.371 4.350 -0.001 0.000 0.252 315 T C 0.756 175.475 174.700 0.032 0.000 1.053 315 T CA -0.185 61.935 62.100 0.033 0.000 0.964 315 T CB -0.227 68.650 68.868 0.015 0.000 1.005 315 T HN 0.666 8.906 8.240 -0.000 0.000 0.532 316 N N 1.414 120.144 118.700 0.050 0.000 2.458 316 N HA 0.222 4.962 4.740 -0.001 0.000 0.274 316 N C -0.537 175.013 175.510 0.067 0.000 1.242 316 N CA -0.548 52.533 53.050 0.052 0.000 0.904 316 N CB -0.064 38.456 38.487 0.056 0.000 1.206 316 N HN 0.439 8.819 8.380 -0.000 0.000 0.510 317 I N 0.878 121.481 120.570 0.055 0.000 2.428 317 I HA 0.240 4.410 4.170 -0.001 0.000 0.279 317 I C -0.231 175.899 176.117 0.022 0.000 1.040 317 I CA -0.485 60.853 61.300 0.063 0.000 1.171 317 I CB 0.715 38.753 38.000 0.062 0.000 1.312 317 I HN -0.029 8.181 8.210 -0.000 0.000 0.470 318 N N 2.990 121.682 118.700 -0.012 0.000 2.187 318 N HA 0.182 4.921 4.740 -0.001 0.000 0.212 318 N C -0.390 174.909 175.510 -0.352 0.000 1.152 318 N CA -0.208 52.743 53.050 -0.166 0.000 0.872 318 N CB 0.437 38.788 38.487 -0.226 0.000 1.025 318 N HN 0.530 8.910 8.380 -0.000 0.000 0.514 319 H N -1.604 117.475 119.070 0.015 0.000 2.864 319 H HA 0.436 4.991 4.556 -0.001 0.000 0.354 319 H C -0.342 174.982 175.328 -0.008 0.000 1.208 319 H CA -0.794 55.254 56.048 0.000 0.000 1.191 319 H CB 1.068 30.827 29.762 -0.005 0.000 1.889 319 H HN -0.182 8.098 8.280 -0.000 0.000 0.574 320 T N 1.150 115.778 114.554 0.124 0.000 2.870 320 T HA 0.234 4.584 4.350 -0.001 0.000 0.300 320 T C 0.186 174.908 174.700 0.038 0.000 0.989 320 T CA -0.301 61.819 62.100 0.034 0.000 1.139 320 T CB 0.486 69.346 68.868 -0.015 0.000 0.920 320 T HN 0.410 8.650 8.240 -0.000 0.000 0.537 321 S N 1.142 116.865 115.700 0.039 0.000 2.738 321 S HA 0.330 4.799 4.470 -0.001 0.000 0.284 321 S C 0.457 175.088 174.600 0.053 0.000 1.146 321 S CA -0.906 57.327 58.200 0.056 0.000 0.997 321 S CB 0.701 63.948 63.200 0.079 0.000 1.081 321 S HN 0.728 9.038 8.310 -0.000 0.000 0.553 322 D N -0.112 120.337 120.400 0.082 0.000 2.500 322 D HA 0.196 4.835 4.640 -0.001 0.000 0.217 322 D C -2.516 173.849 176.300 0.109 0.000 1.159 322 D CA -0.461 53.586 54.000 0.078 0.000 0.828 322 D CB -0.492 40.364 40.800 0.094 0.000 1.039 322 D HN 0.221 8.591 8.370 -0.000 0.000 0.512 323 P HA 0.062 4.482 4.420 -0.000 0.000 0.263 323 P C 0.482 177.914 177.300 0.219 0.000 1.247 323 P CA 0.573 63.782 63.100 0.182 0.000 0.876 323 P CB 0.083 31.896 31.700 0.189 0.000 0.928 324 T N -1.267 113.341 114.554 0.089 0.000 3.393 324 T HA 0.249 4.598 4.350 -0.001 0.000 0.298 324 T C 1.703 176.374 174.700 -0.048 0.000 1.004 324 T CA -0.026 62.038 62.100 -0.060 0.000 0.956 324 T CB -0.175 68.499 68.868 -0.324 0.000 1.182 324 T HN 0.242 8.482 8.240 -0.000 0.000 0.497 325 G N 3.100 111.948 108.800 0.079 0.000 2.513 325 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.219 325 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.219 325 G C -0.644 174.320 174.900 0.107 0.000 1.160 325 G CA 0.976 46.129 45.100 0.089 0.000 0.767 325 G HN 0.463 8.753 8.290 -0.000 0.000 0.571 326 P HA -0.057 4.363 4.420 -0.000 0.000 0.218 326 P C 1.650 179.017 177.300 0.110 0.000 1.146 326 P CA 1.006 64.254 63.100 0.246 0.000 0.813 326 P CB 0.073 31.979 31.700 0.342 0.000 0.778 327 E N -1.076 119.100 120.200 -0.039 0.000 2.338 327 E HA -0.067 4.282 4.350 -0.001 0.000 0.197 327 E C 1.552 177.982 176.600 -0.283 0.000 1.007 327 E CA 0.760 57.109 56.400 -0.085 0.000 0.849 327 E CB -0.464 29.136 29.700 -0.168 0.000 0.774 327 E HN 0.290 8.650 8.360 -0.000 0.000 0.506 328 L N -0.548 120.380 121.223 -0.492 0.000 2.418 328 L HA -0.023 4.316 4.340 -0.001 0.000 0.218 328 L C 0.362 176.550 176.870 -1.137 0.000 1.125 328 L CA 0.884 55.198 54.840 -0.877 0.000 0.835 328 L CB -0.397 41.049 42.059 -1.022 0.000 0.953 328 L HN 0.017 8.247 8.230 -0.000 0.000 0.454 329 Y N -2.830 117.266 120.300 -0.340 0.000 2.562 329 Y HA 0.438 4.988 4.550 -0.001 0.000 0.343 329 Y C 1.136 177.114 175.900 0.130 0.000 1.025 329 Y CA -1.026 56.981 58.100 -0.155 0.000 1.082 329 Y CB 0.929 39.315 38.460 -0.124 0.000 1.264 329 Y HN -0.285 7.995 8.280 -0.000 0.000 0.478 330 V N -1.517 118.639 119.914 0.403 0.000 2.500 330 V HA 0.369 4.489 4.120 -0.001 0.000 0.243 330 V C 0.844 177.061 176.094 0.206 0.000 1.039 330 V CA 1.065 63.562 62.300 0.328 0.000 1.053 330 V CB -0.839 31.121 31.823 0.229 0.000 0.695 330 V HN 0.782 8.972 8.190 -0.000 0.000 0.463 331 G N -0.801 108.082 108.800 0.138 0.000 2.613 331 G HA2 0.606 4.565 3.960 -0.001 0.000 0.303 331 G HA3 0.606 4.565 3.960 -0.001 0.000 0.303 331 G C -1.487 173.331 174.900 -0.136 0.000 1.312 331 G CA 0.134 45.268 45.100 0.057 0.000 1.036 331 G HN 0.356 8.646 8.290 -0.000 0.000 0.513 332 D N -2.916 117.401 120.400 -0.139 0.000 2.946 332 D HA 0.281 4.920 4.640 -0.001 0.000 0.337 332 D C 0.093 176.345 176.300 -0.081 0.000 1.332 332 D CA 0.155 54.032 54.000 -0.205 0.000 0.935 332 D CB 1.322 42.084 40.800 -0.063 0.000 1.440 332 D HN 0.738 9.108 8.370 -0.000 0.000 0.540 333 V N -0.487 119.391 119.914 -0.060 0.000 2.991 333 V HA 0.467 4.586 4.120 -0.001 0.000 0.355 333 V C 0.193 176.303 176.094 0.028 0.000 1.384 333 V CA -0.075 62.240 62.300 0.024 0.000 1.171 333 V CB 0.094 31.917 31.823 -0.001 0.000 1.190 333 V HN 0.402 8.592 8.190 -0.000 0.000 0.540 334 V N -2.785 117.146 119.914 0.028 0.000 3.019 334 V HA 0.613 4.732 4.120 -0.001 0.000 0.317 334 V C 1.193 177.311 176.094 0.040 0.000 1.094 334 V CA -0.646 61.674 62.300 0.033 0.000 1.000 334 V CB 2.017 33.858 31.823 0.030 0.000 1.060 334 V HN 0.126 8.316 8.190 -0.000 0.000 0.443 335 K N 0.840 121.261 120.400 0.036 0.000 2.057 335 K HA 0.079 4.399 4.320 -0.001 0.000 0.206 335 K C -0.087 176.535 176.600 0.036 0.000 1.050 335 K CA 1.674 57.982 56.287 0.034 0.000 0.935 335 K CB -0.095 32.423 32.500 0.029 0.000 0.715 335 K HN 0.823 9.073 8.250 -0.000 0.000 0.439 336 N N 0.265 118.986 118.700 0.036 0.000 2.371 336 N HA 0.197 4.936 4.740 -0.001 0.000 0.291 336 N C -1.290 174.244 175.510 0.041 0.000 1.053 336 N CA -0.557 52.515 53.050 0.036 0.000 0.870 336 N CB 1.929 40.432 38.487 0.027 0.000 1.503 336 N HN -0.068 8.312 8.380 -0.000 0.000 0.485 337 R N 0.140 120.672 120.500 0.054 0.000 2.637 337 R HA 0.418 4.757 4.340 -0.001 0.000 0.269 337 R C 0.229 176.559 176.300 0.049 0.000 1.089 337 R CA -0.936 55.205 56.100 0.067 0.000 1.177 337 R CB 0.479 30.843 30.300 0.106 0.000 1.091 337 R HN 0.404 8.674 8.270 -0.000 0.000 0.540 338 V N -1.144 118.793 119.914 0.038 0.000 2.999 338 V HA 0.120 4.239 4.120 -0.001 0.000 0.307 338 V C 0.453 176.514 176.094 -0.055 0.000 1.084 338 V CA -0.499 61.777 62.300 -0.041 0.000 1.155 338 V CB 0.827 32.585 31.823 -0.108 0.000 0.975 338 V HN 0.906 9.096 8.190 -0.000 0.000 0.490 339 T N 1.961 116.450 114.554 -0.109 0.000 2.795 339 T HA 0.631 4.980 4.350 -0.001 0.000 0.282 339 T C -0.977 173.679 174.700 -0.074 0.000 0.980 339 T CA -0.344 61.719 62.100 -0.063 0.000 1.012 339 T CB 0.660 69.452 68.868 -0.127 0.000 0.936 339 T HN 0.633 8.873 8.240 -0.000 0.000 0.457 340 Y N 1.663 122.056 120.300 0.154 0.000 2.341 340 Y HA 0.679 5.228 4.550 -0.001 0.000 0.338 340 Y C 0.150 176.095 175.900 0.074 0.000 0.965 340 Y CA -0.942 57.266 58.100 0.178 0.000 1.108 340 Y CB 2.253 40.857 38.460 0.240 0.000 1.180 340 Y HN 0.705 8.985 8.280 -0.000 0.000 0.458 341 K N 2.536 123.099 120.400 0.271 0.000 2.553 341 K HA 0.383 4.702 4.320 -0.001 0.000 0.250 341 K C -1.065 175.643 176.600 0.179 0.000 0.953 341 K CA -0.516 55.860 56.287 0.149 0.000 0.800 341 K CB 0.888 33.457 32.500 0.114 0.000 1.243 341 K HN 0.533 8.783 8.250 -0.000 0.000 0.435 342 D N 3.506 123.906 120.400 -0.000 0.000 2.837 342 D HA -0.172 4.468 4.640 -0.001 0.000 0.230 342 D C 0.504 176.747 176.300 -0.095 0.000 1.152 342 D CA 2.042 56.056 54.000 0.024 0.000 0.736 342 D CB -1.276 39.656 40.800 0.220 0.000 1.084 342 D HN 1.144 9.514 8.370 -0.000 0.000 0.429 343 G N -1.068 107.497 108.800 -0.393 0.000 2.160 343 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.251 343 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.251 343 G C -0.124 174.584 174.900 -0.319 0.000 1.008 343 G CA 0.505 45.327 45.100 -0.463 0.000 0.724 343 G HN 0.479 8.769 8.290 -0.000 0.000 0.514 344 Y N -1.634 118.660 120.300 -0.011 0.000 2.446 344 Y HA 0.666 5.215 4.550 -0.001 0.000 0.345 344 Y C 0.179 176.132 175.900 0.089 0.000 0.984 344 Y CA -1.331 56.764 58.100 -0.010 0.000 1.058 344 Y CB 1.887 40.235 38.460 -0.187 0.000 1.220 344 Y HN 0.197 8.477 8.280 -0.000 0.000 0.455 345 L N 3.770 125.091 121.223 0.163 0.000 2.272 345 L HA 0.480 4.819 4.340 -0.001 0.000 0.289 345 L C -1.647 175.181 176.870 -0.070 0.000 1.032 345 L CA -0.788 54.036 54.840 -0.027 0.000 0.810 345 L CB -0.072 41.964 42.059 -0.039 0.000 1.205 345 L HN 0.497 8.727 8.230 -0.000 0.000 0.422 346 Y N 3.673 123.885 120.300 -0.147 0.000 2.310 346 Y HA 0.636 5.185 4.550 -0.001 0.000 0.326 346 Y C 0.853 176.657 175.900 -0.160 0.000 1.151 346 Y CA -0.315 57.717 58.100 -0.113 0.000 1.195 346 Y CB 1.477 39.879 38.460 -0.097 0.000 1.210 346 Y HN 0.812 9.092 8.280 -0.000 0.000 0.483 347 A N 5.265 128.071 122.820 -0.023 0.000 2.425 347 A HA 0.393 4.712 4.320 -0.001 0.000 0.249 347 A C -2.444 175.066 177.584 -0.124 0.000 1.084 347 A CA -1.442 50.494 52.037 -0.168 0.000 0.781 347 A CB -0.318 18.611 19.000 -0.118 0.000 1.019 347 A HN 0.493 8.643 8.150 -0.000 0.000 0.490 348 P HA 0.006 4.426 4.420 -0.000 0.000 0.268 348 P C -0.276 177.052 177.300 0.047 0.000 1.208 348 P CA -0.196 62.866 63.100 -0.064 0.000 0.777 348 P CB 0.385 32.073 31.700 -0.020 0.000 0.875 349 D N 1.858 122.290 120.400 0.052 0.000 2.793 349 D HA -0.147 4.492 4.640 -0.001 0.000 0.230 349 D C 1.232 177.589 176.300 0.096 0.000 1.139 349 D CA 0.580 54.617 54.000 0.061 0.000 0.838 349 D CB 0.310 41.135 40.800 0.042 0.000 1.149 349 D HN 0.282 8.652 8.370 -0.000 0.000 0.526 350 R N 2.158 122.714 120.500 0.094 0.000 2.241 350 R HA -0.129 4.210 4.340 -0.001 0.000 0.224 350 R C 1.875 178.220 176.300 0.076 0.000 1.101 350 R CA 1.333 57.496 56.100 0.105 0.000 0.995 350 R CB 0.074 30.428 30.300 0.091 0.000 0.870 350 R HN 0.462 8.732 8.270 -0.000 0.000 0.463 351 S N -1.110 114.625 115.700 0.058 0.000 2.562 351 S HA 0.070 4.540 4.470 -0.001 0.000 0.221 351 S C 0.508 175.132 174.600 0.040 0.000 0.975 351 S CA -0.317 57.909 58.200 0.042 0.000 0.918 351 S CB 0.427 63.645 63.200 0.031 0.000 0.772 351 S HN -0.026 8.284 8.310 -0.000 0.000 0.531 352 V N 4.323 124.268 119.914 0.052 0.000 2.364 352 V HA 0.264 4.384 4.120 -0.001 0.000 0.272 352 V C 0.419 176.541 176.094 0.046 0.000 1.036 352 V CA -1.157 61.171 62.300 0.047 0.000 0.880 352 V CB 0.749 32.604 31.823 0.054 0.000 0.991 352 V HN 0.519 8.709 8.190 -0.000 0.000 0.460 353 K N 4.294 124.711 120.400 0.028 0.000 2.414 353 K HA 0.547 4.866 4.320 -0.001 0.000 0.272 353 K C 0.637 177.245 176.600 0.013 0.000 0.993 353 K CA 0.508 56.804 56.287 0.015 0.000 0.964 353 K CB 0.433 32.936 32.500 0.004 0.000 0.925 353 K HN 1.108 9.358 8.250 -0.000 0.000 0.487 354 G N 1.341 110.134 108.800 -0.012 0.000 2.527 354 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.227 354 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.227 354 G C 0.146 175.035 174.900 -0.019 0.000 1.291 354 G CA -0.022 45.066 45.100 -0.019 0.000 0.904 354 G HN 0.617 8.907 8.290 -0.000 0.000 0.577 355 L N 1.587 122.822 121.223 0.019 0.000 2.201 355 L HA 0.363 4.702 4.340 -0.001 0.000 0.212 355 L C 2.558 179.571 176.870 0.238 0.000 1.105 355 L CA 3.133 58.030 54.840 0.096 0.000 0.775 355 L CB -0.623 41.496 42.059 0.101 0.000 0.913 355 L HN 2.647 10.877 8.230 -0.000 0.000 0.440 356 G N -1.209 107.674 108.800 0.139 0.000 2.157 356 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.248 356 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.248 356 G C 0.220 175.175 174.900 0.092 0.000 0.979 356 G CA 0.253 45.432 45.100 0.131 0.000 0.650 356 G HN 0.205 8.495 8.290 -0.000 0.000 0.529 357 I N 0.597 121.219 120.570 0.086 0.000 2.498 357 I HA 0.559 4.728 4.170 -0.001 0.000 0.290 357 I C -0.088 176.060 176.117 0.051 0.000 1.032 357 I CA -1.125 60.212 61.300 0.062 0.000 1.073 357 I CB 1.789 39.827 38.000 0.063 0.000 1.251 357 I HN 0.256 8.466 8.210 -0.000 0.000 0.426 358 E N 5.550 125.775 120.200 0.042 0.000 2.238 358 E HA 0.570 4.919 4.350 -0.001 0.000 0.267 358 E C -1.184 175.437 176.600 0.035 0.000 0.887 358 E CA -0.701 55.721 56.400 0.038 0.000 0.769 358 E CB 2.155 31.875 29.700 0.034 0.000 1.187 358 E HN 0.438 8.798 8.360 -0.000 0.000 0.416 359 L N 2.324 123.567 121.223 0.035 0.000 2.436 359 L HA 0.223 4.562 4.340 -0.001 0.000 0.265 359 L C 0.113 177.002 176.870 0.031 0.000 1.168 359 L CA -0.124 54.735 54.840 0.033 0.000 0.815 359 L CB 0.491 42.572 42.059 0.036 0.000 1.109 359 L HN 0.533 8.763 8.230 -0.000 0.000 0.462 360 D N 0.988 121.406 120.400 0.031 0.000 2.461 360 D HA 0.089 4.728 4.640 -0.001 0.000 0.240 360 D C 0.746 177.058 176.300 0.020 0.000 1.094 360 D CA -0.358 53.658 54.000 0.027 0.000 0.868 360 D CB 1.103 41.923 40.800 0.034 0.000 1.062 360 D HN 0.367 8.737 8.370 -0.000 0.000 0.530 361 E N 1.501 121.708 120.200 0.011 0.000 2.130 361 E HA -0.197 4.152 4.350 -0.001 0.000 0.196 361 E C 1.774 178.363 176.600 -0.018 0.000 0.998 361 E CA 1.268 57.666 56.400 -0.004 0.000 0.806 361 E CB -0.163 29.533 29.700 -0.007 0.000 0.738 361 E HN 0.632 8.992 8.360 -0.000 0.000 0.459 362 S N 0.655 116.346 115.700 -0.016 0.000 2.368 362 S HA -0.085 4.384 4.470 -0.001 0.000 0.224 362 S C 2.222 176.795 174.600 -0.045 0.000 1.029 362 S CA 0.769 58.949 58.200 -0.033 0.000 0.988 362 S CB -0.581 62.602 63.200 -0.028 0.000 0.838 362 S HN 0.203 8.513 8.310 -0.000 0.000 0.462 363 L N 0.617 121.835 121.223 -0.008 0.000 2.141 363 L HA 0.045 4.385 4.340 -0.001 0.000 0.209 363 L C 2.621 179.533 176.870 0.070 0.000 1.094 363 L CA 0.810 55.667 54.840 0.028 0.000 0.763 363 L CB -0.587 41.546 42.059 0.124 0.000 0.908 363 L HN 0.324 8.554 8.230 -0.000 0.000 0.437 364 L N -0.303 120.942 121.223 0.038 0.000 2.046 364 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 364 L C 2.860 179.720 176.870 -0.017 0.000 1.077 364 L CA 1.253 56.110 54.840 0.028 0.000 0.747 364 L CB -0.612 41.443 42.059 -0.008 0.000 0.896 364 L HN 0.241 8.471 8.230 -0.000 0.000 0.432 365 A N -0.110 122.674 122.820 -0.060 0.000 1.930 365 A HA -0.230 4.089 4.320 -0.001 0.000 0.217 365 A C 2.374 179.895 177.584 -0.105 0.000 1.175 365 A CA 1.717 53.703 52.037 -0.084 0.000 0.627 365 A CB -0.396 18.554 19.000 -0.084 0.000 0.815 365 A HN 0.336 8.486 8.150 -0.000 0.000 0.443 366 K N -1.550 118.753 120.400 -0.163 0.000 2.057 366 K HA -0.171 4.149 4.320 -0.001 0.000 0.207 366 K C 0.978 177.361 176.600 -0.361 0.000 1.049 366 K CA 1.697 57.795 56.287 -0.314 0.000 0.931 366 K CB -0.266 31.934 32.500 -0.500 0.000 0.714 366 K HN 0.522 8.772 8.250 -0.000 0.000 0.440 367 Y N 1.083 121.346 120.300 -0.062 0.000 2.468 367 Y HA 0.174 4.723 4.550 -0.001 0.000 0.268 367 Y C 0.539 176.397 175.900 -0.070 0.000 1.177 367 Y CA -0.292 57.764 58.100 -0.073 0.000 1.265 367 Y CB 0.004 38.403 38.460 -0.102 0.000 1.103 367 Y HN 0.177 8.457 8.280 -0.000 0.000 0.522 368 Q N 1.886 121.711 119.800 0.041 0.000 2.361 368 Q HA 0.338 4.678 4.340 -0.001 0.000 0.276 368 Q C -0.587 175.417 176.000 0.007 0.000 1.022 368 Q CA -0.130 55.681 55.803 0.014 0.000 0.898 368 Q CB 0.832 29.554 28.738 -0.027 0.000 1.246 368 Q HN 0.190 8.460 8.270 -0.000 0.000 0.410 369 V N 1.441 121.358 119.914 0.006 0.000 2.962 369 V HA 0.472 4.592 4.120 -0.001 0.000 0.313 369 V C -2.106 173.984 176.094 -0.006 0.000 1.099 369 V CA -1.559 60.736 62.300 -0.009 0.000 0.971 369 V CB 1.453 33.262 31.823 -0.023 0.000 1.028 369 V HN 0.849 9.039 8.190 -0.000 0.000 0.430 370 P HA 0.003 4.423 4.420 -0.000 0.000 0.220 370 P C -0.202 177.091 177.300 -0.011 0.000 1.148 370 P CA 1.613 64.712 63.100 -0.002 0.000 0.803 370 P CB 0.069 31.766 31.700 -0.004 0.000 0.782 371 D N -2.232 118.145 120.400 -0.038 0.000 2.838 371 D HA 0.178 4.817 4.640 -0.001 0.000 0.334 371 D C -0.033 176.195 176.300 -0.121 0.000 1.315 371 D CA -0.783 53.178 54.000 -0.065 0.000 0.917 371 D CB -0.002 40.772 40.800 -0.043 0.000 1.435 371 D HN -0.178 8.192 8.370 -0.000 0.000 0.517 372 L N 0.103 121.222 121.223 -0.174 0.000 2.872 372 L HA 0.322 4.662 4.340 -0.001 0.000 0.245 372 L C 0.764 177.477 176.870 -0.262 0.000 1.211 372 L CA -0.331 54.344 54.840 -0.275 0.000 1.013 372 L CB 0.269 42.058 42.059 -0.450 0.000 1.326 372 L HN 0.371 8.601 8.230 -0.000 0.000 0.525 373 S N -0.256 115.361 115.700 -0.138 0.000 2.573 373 S HA 0.081 4.551 4.470 -0.001 0.000 0.277 373 S C -0.106 174.439 174.600 -0.092 0.000 1.346 373 S CA -0.283 57.888 58.200 -0.048 0.000 1.034 373 S CB 0.554 63.768 63.200 0.022 0.000 0.879 373 S HN 0.186 8.496 8.310 -0.000 0.000 0.528 374 W N 0.000 121.308 121.300 0.013 0.000 2.388 374 W HA 0.000 4.659 4.660 -0.001 0.000 0.303 374 W CA 0.000 57.349 57.345 0.006 0.000 1.226 374 W CB 0.000 29.477 29.460 0.028 0.000 1.126 374 W HN 0.000 8.180 8.180 -0.000 0.000 0.535