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 2h25_1_A DATA FIRST_RESID 1 DATA SEQUENCE KTEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQTRITK 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 K HA 0.000 4.288 4.320 -0.054 0.000 0.191 1 K C 0.000 176.579 176.600 -0.035 0.000 0.988 1 K CA 0.000 56.264 56.287 -0.039 0.000 0.838 1 K CB 0.000 32.477 32.500 -0.038 0.000 1.064 2 T N 2.081 116.605 114.554 -0.051 0.000 2.816 2 T HA 0.046 4.379 4.350 -0.029 0.000 0.282 2 T C -0.400 174.281 174.700 -0.032 0.000 0.993 2 T CA 0.092 62.166 62.100 -0.043 0.000 0.994 2 T CB 0.750 69.578 68.868 -0.066 0.000 1.025 2 T HN 0.416 8.615 8.240 -0.069 0.000 0.529 3 E N 1.859 122.046 120.200 -0.021 0.000 2.370 3 E HA 0.235 4.574 4.350 -0.017 0.000 0.259 3 E C -1.201 175.393 176.600 -0.011 0.000 0.947 3 E CA -1.260 55.131 56.400 -0.014 0.000 0.809 3 E CB 1.818 31.514 29.700 -0.007 0.000 1.300 3 E HN 0.093 8.442 8.360 -0.019 0.000 0.419 4 E N -0.913 119.284 120.200 -0.005 0.000 2.280 4 E HA 0.125 4.476 4.350 0.002 0.000 0.261 4 E C 0.766 177.371 176.600 0.008 0.000 1.088 4 E CA -0.485 55.916 56.400 0.002 0.000 0.915 4 E CB 1.071 30.772 29.700 0.002 0.000 1.141 4 E HN -0.041 8.316 8.360 -0.005 0.000 0.433 5 G N 0.285 109.095 108.800 0.017 0.000 2.246 5 G HA2 -0.293 3.685 3.960 0.029 0.000 0.273 5 G HA3 -0.293 3.675 3.960 0.013 0.000 0.273 5 G C -1.761 173.156 174.900 0.028 0.000 1.055 5 G CA 0.653 45.766 45.100 0.022 0.000 0.851 5 G HN 0.590 8.893 8.290 0.021 0.000 0.500 6 K N -3.928 116.492 120.400 0.032 0.000 2.571 6 K HA 0.483 4.951 4.320 0.045 -0.121 0.289 6 K C -2.189 174.419 176.600 0.013 0.000 1.028 6 K CA -1.388 54.916 56.287 0.029 0.000 0.895 6 K CB 3.220 35.729 32.500 0.015 0.000 1.534 6 K HN -0.780 7.488 8.250 0.031 0.000 0.421 7 L N -0.373 120.838 121.223 -0.020 0.000 2.476 7 L HA 0.338 4.645 4.340 -0.055 0.000 0.269 7 L C -1.783 175.044 176.870 -0.070 0.000 0.965 7 L CA -0.263 54.529 54.840 -0.080 0.000 0.845 7 L CB 4.244 46.170 42.059 -0.221 0.000 1.259 7 L HN 0.409 8.536 8.230 -0.011 0.096 0.403 8 V N 1.604 121.494 119.914 -0.040 0.000 2.313 8 V HA 0.627 4.987 4.120 0.037 -0.218 0.278 8 V C -0.769 175.361 176.094 0.059 0.000 1.017 8 V CA -2.066 60.241 62.300 0.012 0.000 0.823 8 V CB 0.203 32.022 31.823 -0.007 0.000 1.010 8 V HN 0.303 8.466 8.190 -0.045 0.000 0.443 9 I N 5.965 126.613 120.570 0.130 0.000 2.315 9 I HA 0.227 4.567 4.170 0.283 0.000 0.291 9 I C -0.738 175.625 176.117 0.411 0.000 1.006 9 I CA -0.803 60.647 61.300 0.251 0.000 1.265 9 I CB 1.025 39.139 38.000 0.190 0.000 1.387 9 I HN 0.543 8.811 8.210 0.096 0.000 0.475 10 W N 8.530 129.952 121.300 0.203 0.000 2.351 10 W HA 0.381 5.293 4.660 0.139 -0.168 0.311 10 W C -0.863 175.743 176.519 0.145 0.000 1.168 10 W CA -1.074 56.372 57.345 0.168 0.000 1.200 10 W CB 1.204 30.769 29.460 0.176 0.000 1.221 10 W HN -0.336 8.165 8.180 0.534 0.000 0.519 11 I N 1.331 122.019 120.570 0.197 0.000 2.892 11 I HA 0.261 4.458 4.170 0.045 0.000 0.306 11 I C -1.935 174.162 176.117 -0.032 0.000 1.078 11 I CA -2.874 58.461 61.300 0.058 0.000 1.032 11 I CB 4.534 42.559 38.000 0.042 0.000 1.229 11 I HN 0.769 9.059 8.210 0.134 0.000 0.435 12 N N 6.138 124.766 118.700 -0.119 0.000 2.389 12 N HA 0.047 4.696 4.740 -0.152 0.000 0.237 12 N C 0.283 175.705 175.510 -0.146 0.000 1.148 12 N CA -0.652 52.291 53.050 -0.178 0.000 0.854 12 N CB -0.668 37.620 38.487 -0.332 0.000 1.115 12 N HN 0.443 8.741 8.380 -0.137 0.000 0.492 13 G N -0.438 108.283 108.800 -0.131 0.000 2.379 13 G HA2 -0.374 3.270 3.960 -0.526 0.000 0.297 13 G HA3 -0.374 3.403 3.960 -0.304 0.000 0.297 13 G C -0.791 173.986 174.900 -0.205 0.000 1.004 13 G CA 0.923 45.840 45.100 -0.306 0.000 0.921 13 G HN 0.154 8.291 8.290 -0.075 0.108 0.511 14 D N -0.877 119.505 120.400 -0.031 0.000 4.239 14 D HA 0.020 4.768 4.640 0.180 0.000 0.242 14 D C -2.066 174.261 176.300 0.046 0.000 1.453 14 D CA -0.047 53.986 54.000 0.053 0.000 0.841 14 D CB 0.253 41.028 40.800 -0.043 0.000 1.362 14 D HN -0.281 8.061 8.370 -0.019 0.016 0.855 15 K N 0.006 120.452 120.400 0.076 0.000 2.675 15 K HA 0.123 4.425 4.320 -0.030 0.000 0.274 15 K C -0.742 175.809 176.600 -0.080 0.000 1.444 15 K CA 0.450 56.718 56.287 -0.032 0.000 0.925 15 K CB 0.669 33.114 32.500 -0.092 0.000 1.401 15 K HN -0.347 8.034 8.250 0.219 0.000 0.504 16 G N 1.359 110.075 108.800 -0.141 0.000 2.338 16 G HA2 -0.329 3.458 3.960 -0.288 0.000 0.296 16 G HA3 -0.329 3.531 3.960 -0.166 0.000 0.296 16 G C 0.817 175.604 174.900 -0.188 0.000 1.040 16 G CA 0.835 45.808 45.100 -0.212 0.000 1.004 16 G HN 0.245 8.451 8.290 -0.140 0.000 0.509 17 Y N -2.230 118.016 120.300 -0.090 0.000 2.286 17 Y HA -0.296 4.202 4.550 -0.085 0.000 0.293 17 Y C 0.646 176.514 175.900 -0.054 0.000 1.124 17 Y CA 0.948 58.992 58.100 -0.092 0.000 1.178 17 Y CB -0.298 38.068 38.460 -0.157 0.000 1.010 17 Y HN -0.187 7.784 8.280 -0.515 0.000 0.536 18 N N -0.485 117.950 118.700 -0.442 0.000 2.368 18 N HA -0.067 4.706 4.740 0.055 0.000 0.176 18 N C 1.894 177.329 175.510 -0.125 0.000 1.021 18 N CA 1.515 54.466 53.050 -0.165 0.000 0.888 18 N CB -0.465 37.881 38.487 -0.236 0.000 0.995 18 N HN -0.079 7.513 8.380 -1.314 0.000 0.437 19 G N -0.867 107.818 108.800 -0.192 0.000 2.403 19 G HA2 -0.216 3.703 3.960 -0.068 0.000 0.216 19 G HA3 -0.216 3.676 3.960 -0.114 0.000 0.216 19 G C 1.038 175.917 174.900 -0.035 0.000 1.154 19 G CA 1.208 46.249 45.100 -0.098 0.000 0.784 19 G HN 0.036 8.130 8.290 -0.327 0.000 0.538 20 L N 0.969 122.170 121.223 -0.036 0.000 2.131 20 L HA -0.281 4.086 4.340 0.044 0.000 0.210 20 L C 1.067 177.982 176.870 0.076 0.000 1.092 20 L CA 2.590 57.445 54.840 0.026 0.000 0.759 20 L CB 0.012 42.071 42.059 -0.001 0.000 0.903 20 L HN -0.689 7.493 8.230 -0.079 0.000 0.435 21 A N -3.119 119.735 122.820 0.056 0.000 1.972 21 A HA -0.347 4.020 4.320 0.079 0.000 0.219 21 A C 1.698 179.329 177.584 0.079 0.000 1.169 21 A CA 2.966 55.046 52.037 0.072 0.000 0.635 21 A CB -0.945 18.097 19.000 0.070 0.000 0.810 21 A HN -0.095 8.052 8.150 0.031 0.021 0.446 22 E N -1.518 118.721 120.200 0.065 0.000 2.077 22 E HA -0.293 4.096 4.350 0.065 0.000 0.193 22 E C 2.217 178.876 176.600 0.098 0.000 0.989 22 E CA 2.957 59.398 56.400 0.068 0.000 0.800 22 E CB -0.426 29.301 29.700 0.046 0.000 0.746 22 E HN -0.564 7.691 8.360 0.045 0.131 0.452 23 V N -1.606 118.381 119.914 0.122 0.000 2.392 23 V HA -0.379 3.812 4.120 0.118 0.000 0.249 23 V C 1.929 178.162 176.094 0.233 0.000 1.059 23 V CA 4.088 66.482 62.300 0.157 0.000 1.051 23 V CB -0.419 31.506 31.823 0.171 0.000 0.658 23 V HN -0.736 7.519 8.190 0.108 0.000 0.455 24 G N -1.670 107.271 108.800 0.236 0.000 2.402 24 G HA2 -0.353 3.773 3.960 0.277 0.000 0.216 24 G HA3 -0.353 3.679 3.960 0.121 0.000 0.216 24 G C 0.863 175.865 174.900 0.171 0.000 1.162 24 G CA 2.016 47.237 45.100 0.202 0.000 0.777 24 G HN -0.533 7.767 8.290 0.195 0.108 0.539 25 K N 0.219 120.694 120.400 0.124 0.000 2.211 25 K HA -0.290 4.082 4.320 0.086 0.000 0.204 25 K C 2.212 178.872 176.600 0.099 0.000 1.047 25 K CA 3.331 59.675 56.287 0.096 0.000 0.935 25 K CB -0.141 32.405 32.500 0.076 0.000 0.728 25 K HN -0.606 7.713 8.250 0.116 0.000 0.452 26 K N -1.072 119.399 120.400 0.119 0.000 2.137 26 K HA -0.158 4.221 4.320 0.098 0.000 0.202 26 K C 1.883 178.545 176.600 0.104 0.000 1.052 26 K CA 2.697 59.053 56.287 0.115 0.000 0.961 26 K CB -0.201 32.386 32.500 0.144 0.000 0.741 26 K HN -0.933 7.251 8.250 0.133 0.145 0.452 27 F N 0.512 120.381 119.950 -0.134 0.000 2.069 27 F HA -0.340 3.916 4.527 -0.452 0.000 0.298 27 F C 1.813 177.567 175.800 -0.076 0.000 1.113 27 F CA 2.772 60.638 58.000 -0.224 0.000 1.214 27 F CB -0.016 38.922 39.000 -0.104 0.000 0.978 27 F HN -0.350 8.001 8.300 0.224 0.084 0.474 28 E N -2.392 117.841 120.200 0.055 0.000 2.118 28 E HA -0.414 3.955 4.350 -0.086 -0.071 0.195 28 E C 2.457 179.032 176.600 -0.041 0.000 0.992 28 E CA 2.824 59.210 56.400 -0.023 0.000 0.804 28 E CB -0.890 28.828 29.700 0.031 0.000 0.741 28 E HN -0.219 8.236 8.360 0.159 0.000 0.458 29 K N -1.256 119.143 120.400 -0.002 0.000 2.211 29 K HA -0.216 4.105 4.320 0.002 0.000 0.203 29 K C 0.929 177.523 176.600 -0.010 0.000 1.050 29 K CA 2.416 58.707 56.287 0.005 0.000 0.945 29 K CB -0.104 32.417 32.500 0.035 0.000 0.732 29 K HN -0.764 7.409 8.250 0.030 0.095 0.451 30 D N -2.596 117.783 120.400 -0.036 0.000 2.240 30 D HA -0.025 4.622 4.640 0.011 0.000 0.206 30 D C 1.229 177.464 176.300 -0.108 0.000 0.963 30 D CA 2.378 56.358 54.000 -0.033 0.000 0.863 30 D CB 0.977 41.800 40.800 0.038 0.000 0.973 30 D HN -0.244 7.939 8.370 -0.052 0.156 0.501 31 T N -6.060 108.365 114.554 -0.215 0.000 3.254 31 T HA 0.157 4.423 4.350 -0.140 0.000 0.267 31 T C 0.945 175.545 174.700 -0.166 0.000 0.946 31 T CA 0.562 62.529 62.100 -0.221 0.000 0.991 31 T CB 2.463 71.104 68.868 -0.379 0.000 1.205 31 T HN 0.056 8.059 8.240 -0.253 0.085 0.494 32 G N 1.876 110.567 108.800 -0.181 0.000 2.147 32 G HA2 -0.251 3.732 3.960 -0.061 0.000 0.128 32 G HA3 -0.251 3.666 3.960 -0.071 0.000 0.128 32 G C -1.101 173.754 174.900 -0.075 0.000 1.026 32 G CA -0.180 44.864 45.100 -0.093 0.000 0.693 32 G HN -0.579 7.517 8.290 -0.257 0.041 0.499 33 I N 0.510 121.010 120.570 -0.117 0.000 2.371 33 I HA -0.145 4.024 4.170 -0.002 0.000 0.290 33 I C -0.408 175.760 176.117 0.085 0.000 1.028 33 I CA -1.806 59.492 61.300 -0.003 0.000 1.345 33 I CB -0.718 37.311 38.000 0.049 0.000 1.407 33 I HN -0.773 7.284 8.210 -0.254 0.000 0.501 34 K N 6.577 127.012 120.400 0.058 0.000 2.355 34 K HA -0.133 4.219 4.320 0.053 0.000 0.270 34 K C -1.091 175.538 176.600 0.048 0.000 1.003 34 K CA 0.331 56.648 56.287 0.051 0.000 0.957 34 K CB 0.914 33.433 32.500 0.032 0.000 0.939 34 K HN -0.033 8.242 8.250 0.040 0.000 0.482 35 V N 3.365 123.299 119.914 0.032 0.000 2.498 35 V HA 0.575 4.889 4.120 -0.064 -0.232 0.283 35 V C -0.606 175.494 176.094 0.010 0.000 1.015 35 V CA -0.993 61.295 62.300 -0.021 0.000 0.867 35 V CB 1.289 33.080 31.823 -0.054 0.000 1.025 35 V HN 0.246 8.462 8.190 0.044 0.000 0.441 36 T N 8.491 123.058 114.554 0.021 0.000 2.925 36 T HA 0.265 4.654 4.350 0.066 0.000 0.285 36 T C -1.979 172.780 174.700 0.100 0.000 1.021 36 T CA -1.187 60.952 62.100 0.064 0.000 1.042 36 T CB 2.071 70.983 68.868 0.073 0.000 1.037 36 T HN 0.812 9.054 8.240 0.004 0.000 0.481 37 V N 2.520 122.514 119.914 0.133 0.000 2.577 37 V HA 0.708 5.188 4.120 0.226 -0.225 0.303 37 V C -0.869 175.351 176.094 0.210 0.000 1.042 37 V CA -2.188 60.222 62.300 0.184 0.000 0.872 37 V CB 1.949 33.861 31.823 0.148 0.000 0.998 37 V HN 0.247 8.509 8.190 0.120 0.000 0.423 38 E N 5.239 125.595 120.200 0.259 0.000 2.336 38 E HA 0.476 4.893 4.350 0.111 0.000 0.267 38 E C -1.767 174.795 176.600 -0.063 0.000 0.906 38 E CA -2.103 54.357 56.400 0.100 0.000 0.781 38 E CB 3.945 33.706 29.700 0.103 0.000 1.261 38 E HN -0.116 8.476 8.360 0.386 0.000 0.436 39 H N -1.321 117.593 119.070 -0.260 0.000 2.429 39 H HA 0.798 5.329 4.556 -0.383 -0.206 0.231 39 H C -1.841 173.273 175.328 -0.355 0.000 1.416 39 H CA -4.029 51.829 56.048 -0.317 0.000 1.443 39 H CB -0.106 29.528 29.762 -0.212 0.000 1.591 39 H HN 0.245 8.225 8.280 -0.500 0.000 0.507 40 P HA -0.084 4.086 4.420 -0.417 0.000 0.274 40 P C -0.767 176.345 177.300 -0.314 0.000 1.260 40 P CA -0.595 62.211 63.100 -0.490 0.000 0.793 40 P CB 0.639 31.960 31.700 -0.632 0.000 1.048 41 D N 1.191 121.465 120.400 -0.211 0.000 2.185 41 D HA 0.057 4.627 4.640 -0.116 0.000 0.247 41 D C 0.049 176.298 176.300 -0.085 0.000 1.027 41 D CA -0.465 53.460 54.000 -0.126 0.000 0.861 41 D CB 0.982 41.723 40.800 -0.098 0.000 1.202 41 D HN 0.037 8.284 8.370 -0.205 0.000 0.453 42 K N -1.556 118.817 120.400 -0.045 0.000 3.129 42 K HA -0.325 3.996 4.320 0.002 0.000 0.273 42 K C 0.408 177.014 176.600 0.011 0.000 1.123 42 K CA 0.754 57.033 56.287 -0.012 0.000 0.800 42 K CB -2.184 30.304 32.500 -0.020 0.000 1.238 42 K HN 0.575 8.801 8.250 -0.041 0.000 0.492 43 L N -6.277 114.954 121.223 0.014 0.000 2.610 43 L HA -0.057 4.349 4.340 0.110 0.000 0.232 43 L C 1.593 178.551 176.870 0.147 0.000 1.149 43 L CA 1.783 56.673 54.840 0.085 0.000 0.872 43 L CB -0.307 41.705 42.059 -0.079 0.000 0.992 43 L HN 0.049 8.254 8.230 -0.008 0.021 0.447 44 E N 0.841 121.070 120.200 0.049 0.000 2.023 44 E HA -0.385 3.756 4.350 -0.349 0.000 0.196 44 E C 1.245 177.847 176.600 0.003 0.000 1.003 44 E CA 2.934 59.276 56.400 -0.095 0.000 0.809 44 E CB -0.299 29.355 29.700 -0.077 0.000 0.755 44 E HN 0.368 8.683 8.360 0.064 0.084 0.449 45 E N -3.410 116.811 120.200 0.035 0.000 2.250 45 E HA -0.067 4.325 4.350 0.070 0.000 0.192 45 E C 1.644 178.285 176.600 0.068 0.000 0.986 45 E CA 1.588 58.019 56.400 0.052 0.000 0.849 45 E CB 0.522 30.236 29.700 0.024 0.000 0.797 45 E HN -0.010 8.364 8.360 0.024 0.000 0.482 46 K N -0.681 119.777 120.400 0.097 0.000 2.365 46 K HA -0.170 4.390 4.320 0.063 -0.203 0.199 46 K C 2.069 178.770 176.600 0.168 0.000 1.045 46 K CA 2.564 58.919 56.287 0.114 0.000 0.962 46 K CB -0.167 32.408 32.500 0.126 0.000 0.759 46 K HN -0.602 7.704 8.250 0.093 0.000 0.469 47 F N 1.368 121.353 119.950 0.058 0.000 2.074 47 F HA -0.023 4.547 4.527 0.072 0.000 0.293 47 F C -2.167 173.514 175.800 -0.198 0.000 1.116 47 F CA 4.659 62.651 58.000 -0.013 0.000 1.212 47 F CB -1.687 37.289 39.000 -0.041 0.000 0.998 47 F HN -0.259 8.103 8.300 0.297 0.117 0.471 48 P HA -0.231 3.878 4.420 -0.518 0.000 0.223 48 P C 1.341 178.518 177.300 -0.204 0.000 1.151 48 P CA 2.116 65.041 63.100 -0.291 0.000 0.787 48 P CB -0.716 30.975 31.700 -0.015 0.000 0.788 49 Q N -1.306 118.419 119.800 -0.125 0.000 2.046 49 Q HA -0.250 4.049 4.340 -0.070 0.000 0.200 49 Q C 1.605 177.526 176.000 -0.131 0.000 0.975 49 Q CA 2.958 58.708 55.803 -0.089 0.000 0.836 49 Q CB -0.433 28.282 28.738 -0.039 0.000 0.896 49 Q HN -0.405 7.782 8.270 -0.080 0.035 0.428 50 V N -5.797 114.009 119.914 -0.179 0.000 2.878 50 V HA 0.098 4.135 4.120 -0.138 0.000 0.250 50 V C 1.416 177.337 176.094 -0.288 0.000 1.075 50 V CA 0.162 62.346 62.300 -0.194 0.000 1.096 50 V CB -0.480 31.245 31.823 -0.164 0.000 0.724 50 V HN -0.848 7.231 8.190 -0.185 0.000 0.467 51 A N 0.539 123.084 122.820 -0.458 0.000 2.024 51 A HA -0.311 3.691 4.320 -0.530 0.000 0.220 51 A C 0.629 178.030 177.584 -0.305 0.000 1.164 51 A CA 2.852 54.571 52.037 -0.529 0.000 0.643 51 A CB -0.849 17.637 19.000 -0.857 0.000 0.806 51 A HN -0.035 7.802 8.150 -0.521 0.000 0.451 52 A N -4.534 118.150 122.820 -0.227 0.000 1.978 52 A HA -0.236 4.007 4.320 -0.130 0.000 0.220 52 A C 1.179 178.690 177.584 -0.121 0.000 1.170 52 A CA 2.471 54.422 52.037 -0.143 0.000 0.636 52 A CB -0.151 18.787 19.000 -0.104 0.000 0.810 52 A HN -0.459 7.519 8.150 -0.238 0.029 0.448 53 T N -5.916 108.560 114.554 -0.131 0.000 3.031 53 T HA -0.068 4.232 4.350 -0.085 0.000 0.254 53 T C 1.522 176.154 174.700 -0.114 0.000 1.060 53 T CA -0.052 61.986 62.100 -0.104 0.000 1.135 53 T CB 1.685 70.499 68.868 -0.090 0.000 0.896 53 T HN -0.578 7.438 8.240 -0.154 0.131 0.472 54 G N 2.806 111.512 108.800 -0.157 0.000 2.140 54 G HA2 -0.348 3.490 3.960 -0.203 0.000 0.211 54 G HA3 -0.348 3.537 3.960 -0.125 0.000 0.211 54 G C -0.593 174.221 174.900 -0.143 0.000 1.013 54 G CA 0.243 45.248 45.100 -0.159 0.000 0.705 54 G HN -0.030 8.062 8.290 -0.191 0.083 0.508 55 D N 0.795 121.107 120.400 -0.146 0.000 2.277 55 D HA 0.123 4.707 4.640 -0.093 0.000 0.209 55 D C 1.465 177.683 176.300 -0.135 0.000 0.970 55 D CA 1.707 55.639 54.000 -0.114 0.000 0.874 55 D CB 0.627 41.376 40.800 -0.084 0.000 0.982 55 D HN -0.571 7.702 8.370 -0.161 0.000 0.504 56 G N 0.450 109.127 108.800 -0.204 0.000 2.522 56 G HA2 -0.015 3.860 3.960 -0.141 0.000 0.223 56 G HA3 -0.015 3.733 3.960 -0.353 0.000 0.223 56 G C -2.100 172.596 174.900 -0.339 0.000 1.565 56 G CA -0.524 44.421 45.100 -0.259 0.000 1.053 56 G HN -0.602 7.549 8.290 -0.231 0.000 0.547 57 P HA -0.086 4.093 4.420 -0.403 0.000 0.296 57 P C -1.861 175.228 177.300 -0.351 0.000 1.295 57 P CA -0.038 62.705 63.100 -0.595 0.000 0.754 57 P CB 1.474 32.408 31.700 -1.277 0.000 1.311 58 D N -2.486 117.780 120.400 -0.224 0.000 2.932 58 D HA 0.360 4.920 4.640 -0.133 0.000 0.294 58 D C -0.181 176.103 176.300 -0.026 0.000 1.119 58 D CA 1.416 55.350 54.000 -0.111 0.000 0.980 58 D CB 3.150 43.909 40.800 -0.069 0.000 1.361 58 D HN -0.372 7.861 8.370 -0.229 0.000 0.466 59 I N -1.251 119.325 120.570 0.011 0.000 2.412 59 I HA 0.506 4.893 4.170 0.057 -0.183 0.296 59 I C -1.516 174.677 176.117 0.127 0.000 0.987 59 I CA -0.719 60.623 61.300 0.070 0.000 1.180 59 I CB 2.866 40.929 38.000 0.104 0.000 1.340 59 I HN -0.548 7.654 8.210 -0.014 0.000 0.455 60 I N 3.647 124.249 120.570 0.054 0.000 2.892 60 I HA 0.469 4.770 4.170 0.218 0.000 0.306 60 I C -2.583 173.501 176.117 -0.055 0.000 1.078 60 I CA -2.084 59.236 61.300 0.032 0.000 1.032 60 I CB 4.127 41.888 38.000 -0.399 0.000 1.229 60 I HN 0.021 8.126 8.210 0.003 0.107 0.435 61 F N 3.728 123.765 119.950 0.145 0.000 2.557 61 F HA 0.647 5.501 4.527 0.271 -0.165 0.316 61 F C -1.138 174.694 175.800 0.054 0.000 1.141 61 F CA -0.989 57.098 58.000 0.145 0.000 0.922 61 F CB 3.138 42.197 39.000 0.099 0.000 1.194 61 F HN 0.114 8.643 8.300 0.383 0.000 0.443 62 W N 3.391 124.534 121.300 -0.262 0.000 2.895 62 W HA 0.214 4.764 4.660 -0.183 0.000 0.377 62 W C -2.640 173.701 176.519 -0.297 0.000 1.191 62 W CA -0.108 56.994 57.345 -0.404 0.000 1.179 62 W CB 3.981 33.059 29.460 -0.637 0.000 1.469 62 W HN -0.264 7.928 8.180 0.020 0.000 0.577 63 A N -1.699 121.159 122.820 0.063 0.000 2.366 63 A HA 0.508 5.189 4.320 0.156 -0.267 0.249 63 A C 1.201 178.912 177.584 0.213 0.000 1.084 63 A CA 0.199 52.291 52.037 0.092 0.000 0.794 63 A CB 1.508 20.481 19.000 -0.045 0.000 1.034 63 A HN 0.230 8.464 8.150 0.141 0.000 0.491 64 H N 0.115 119.406 119.070 0.367 0.000 2.422 64 H HA -0.368 4.539 4.556 0.585 0.000 0.298 64 H C 1.571 177.054 175.328 0.259 0.000 1.098 64 H CA 3.651 59.923 56.048 0.373 0.000 1.315 64 H CB -0.454 29.439 29.762 0.218 0.000 1.382 64 H HN 0.392 8.798 8.280 0.209 0.000 0.523 65 D N -1.158 119.069 120.400 -0.287 0.000 2.097 65 D HA -0.271 4.446 4.640 0.128 0.000 0.195 65 D C 2.446 178.739 176.300 -0.012 0.000 0.989 65 D CA 3.422 57.384 54.000 -0.063 0.000 0.827 65 D CB 0.021 40.742 40.800 -0.131 0.000 0.966 65 D HN 0.395 8.222 8.370 -0.873 0.019 0.456 66 R N -1.127 119.334 120.500 -0.065 0.000 2.148 66 R HA -0.175 4.010 4.340 -0.257 0.000 0.223 66 R C 2.495 178.630 176.300 -0.275 0.000 1.088 66 R CA 1.678 57.643 56.100 -0.226 0.000 0.985 66 R CB -0.638 29.491 30.300 -0.284 0.000 0.880 66 R HN -0.632 7.611 8.270 -0.044 0.000 0.451 67 F N -1.451 118.470 119.950 -0.048 0.000 2.307 67 F HA -0.236 4.313 4.527 0.037 0.000 0.301 67 F C 0.721 176.522 175.800 0.002 0.000 1.076 67 F CA 2.609 60.617 58.000 0.013 0.000 1.383 67 F CB -0.207 38.850 39.000 0.095 0.000 1.055 67 F HN 0.028 8.292 8.300 0.134 0.116 0.526 68 G N -4.466 104.444 108.800 0.182 0.000 3.496 68 G HA2 0.057 4.231 3.960 0.357 0.000 0.273 68 G HA3 0.057 4.259 3.960 0.210 -0.116 0.273 68 G C -1.015 173.974 174.900 0.148 0.000 1.279 68 G CA -0.563 44.680 45.100 0.239 0.000 1.041 68 G HN -0.787 7.540 8.290 0.137 0.045 0.539 69 G N -1.475 107.240 108.800 -0.142 0.000 2.739 69 G HA2 0.191 4.105 3.960 -0.076 0.000 0.200 69 G HA3 0.191 3.852 3.960 -0.497 0.000 0.200 69 G C 0.554 175.314 174.900 -0.234 0.000 1.069 69 G CA 0.056 44.993 45.100 -0.271 0.000 0.768 69 G HN -0.583 7.453 8.290 -0.256 0.100 0.565 70 Y N 0.172 120.507 120.300 0.060 0.000 2.448 70 Y HA -0.037 4.525 4.550 0.021 0.000 0.289 70 Y C 0.638 176.561 175.900 0.038 0.000 1.114 70 Y CA 0.580 58.709 58.100 0.049 0.000 1.235 70 Y CB -0.526 37.990 38.460 0.093 0.000 1.045 70 Y HN -0.711 7.308 8.280 -0.436 0.000 0.554 71 A N -1.983 120.938 122.820 0.167 0.000 1.975 71 A HA -0.286 4.081 4.320 0.079 0.000 0.215 71 A C 1.308 178.842 177.584 -0.083 0.000 1.170 71 A CA 2.590 54.670 52.037 0.071 0.000 0.656 71 A CB -0.442 18.623 19.000 0.108 0.000 0.821 71 A HN -0.112 8.141 8.150 0.173 0.000 0.449 72 Q N -2.247 117.473 119.800 -0.134 0.000 2.124 72 Q HA -0.294 3.650 4.340 -0.660 0.000 0.202 72 Q C 1.298 177.203 176.000 -0.158 0.000 0.977 72 Q CA 2.550 58.165 55.803 -0.313 0.000 0.850 72 Q CB -0.843 27.811 28.738 -0.140 0.000 0.901 72 Q HN 0.135 8.398 8.270 -0.013 0.000 0.429 73 S N -1.286 114.380 115.700 -0.056 0.000 2.478 73 S HA 0.015 4.461 4.470 -0.041 0.000 0.222 73 S C -0.003 174.581 174.600 -0.025 0.000 1.008 73 S CA 0.229 58.413 58.200 -0.028 0.000 0.928 73 S CB 0.914 64.120 63.200 0.009 0.000 0.781 73 S HN -0.297 7.988 8.310 -0.019 0.014 0.518 74 G N 0.138 108.928 108.800 -0.016 0.000 2.683 74 G HA2 -0.256 3.694 3.960 -0.017 0.000 0.234 74 G HA3 -0.256 3.689 3.960 -0.025 0.000 0.234 74 G C -1.105 173.797 174.900 0.002 0.000 1.135 74 G CA -0.123 44.969 45.100 -0.014 0.000 0.975 74 G HN -0.696 7.482 8.290 -0.007 0.108 0.511 75 L N -1.211 120.032 121.223 0.035 0.000 3.393 75 L HA 0.373 4.699 4.340 -0.023 0.000 0.319 75 L C -1.735 175.156 176.870 0.034 0.000 1.309 75 L CA -0.550 54.298 54.840 0.014 0.000 0.962 75 L CB 0.555 42.623 42.059 0.015 0.000 1.391 75 L HN 0.080 8.349 8.230 0.066 0.000 0.607 76 L N -2.080 119.176 121.223 0.055 0.000 2.359 76 L HA 0.386 4.853 4.340 0.066 -0.087 0.256 76 L C -1.144 175.750 176.870 0.041 0.000 1.026 76 L CA -1.884 53.002 54.840 0.077 0.000 0.828 76 L CB 4.893 47.044 42.059 0.153 0.000 1.406 76 L HN -0.774 7.481 8.230 0.041 0.000 0.413 77 A N 0.425 123.269 122.820 0.040 0.000 2.295 77 A HA 0.304 4.634 4.320 0.018 0.000 0.318 77 A C -1.012 176.592 177.584 0.034 0.000 1.134 77 A CA -0.587 51.467 52.037 0.028 0.000 0.827 77 A CB 1.265 20.282 19.000 0.028 0.000 1.136 77 A HN 0.858 8.939 8.150 0.053 0.101 0.493 78 E N -0.247 119.970 120.200 0.029 0.000 3.196 78 E HA 0.023 4.394 4.350 0.034 0.000 0.268 78 E C 0.148 176.778 176.600 0.051 0.000 1.430 78 E CA -0.056 56.363 56.400 0.032 0.000 1.176 78 E CB 1.026 30.737 29.700 0.019 0.000 1.228 78 E HN 0.087 8.460 8.360 0.022 0.000 0.730 79 I N -7.244 113.354 120.570 0.045 0.000 3.229 79 I HA 0.390 4.587 4.170 0.046 0.000 0.313 79 I C -1.915 174.193 176.117 -0.016 0.000 1.317 79 I CA -0.740 60.589 61.300 0.048 0.000 0.940 79 I CB 2.498 40.586 38.000 0.147 0.000 1.315 79 I HN -0.230 7.999 8.210 0.030 0.000 0.484 80 T N -2.231 112.276 114.554 -0.078 0.000 3.365 80 T HA 0.268 4.559 4.350 -0.098 0.000 0.290 80 T C -2.206 172.381 174.700 -0.188 0.000 0.941 80 T CA -1.593 60.443 62.100 -0.107 0.000 1.522 80 T CB -0.092 68.734 68.868 -0.069 0.000 0.865 80 T HN -0.088 8.085 8.240 -0.112 0.000 0.572 81 P HA 0.169 4.246 4.420 -0.573 0.000 0.274 81 P C -1.468 175.766 177.300 -0.110 0.000 1.246 81 P CA -0.493 62.390 63.100 -0.362 0.000 0.795 81 P CB 0.882 32.370 31.700 -0.353 0.000 1.006 82 D N -0.244 120.172 120.400 0.026 0.000 2.549 82 D HA 0.104 4.743 4.640 -0.001 0.000 0.270 82 D C 1.237 177.589 176.300 0.085 0.000 1.181 82 D CA -1.165 52.865 54.000 0.050 0.000 1.070 82 D CB 1.449 42.289 40.800 0.066 0.000 1.154 82 D HN -0.034 8.405 8.370 0.115 0.000 0.602 83 K N -0.060 120.369 120.400 0.048 0.000 2.103 83 K HA -0.349 3.983 4.320 0.021 0.000 0.207 83 K C 1.917 178.558 176.600 0.068 0.000 1.048 83 K CA 3.714 60.024 56.287 0.038 0.000 0.930 83 K CB -0.232 32.277 32.500 0.016 0.000 0.716 83 K HN 0.300 8.568 8.250 0.031 0.000 0.444 84 A N -1.033 121.834 122.820 0.079 0.000 2.014 84 A HA -0.096 4.244 4.320 0.033 0.000 0.218 84 A C 1.937 179.579 177.584 0.097 0.000 1.163 84 A CA 2.474 54.549 52.037 0.062 0.000 0.652 84 A CB -0.693 18.330 19.000 0.039 0.000 0.808 84 A HN 0.036 8.221 8.150 0.076 0.011 0.449 85 F N -0.674 119.297 119.950 0.036 0.000 2.234 85 F HA -0.184 4.374 4.527 0.050 0.000 0.296 85 F C 1.512 177.441 175.800 0.215 0.000 1.089 85 F CA 2.450 60.501 58.000 0.084 0.000 1.343 85 F CB 0.397 39.440 39.000 0.071 0.000 1.040 85 F HN -0.326 8.008 8.300 0.285 0.137 0.498 86 Q N -2.725 117.351 119.800 0.460 0.000 2.269 86 Q HA -0.281 4.575 4.340 0.860 0.000 0.201 86 Q C 1.984 178.155 176.000 0.284 0.000 0.946 86 Q CA 2.900 58.948 55.803 0.408 0.000 0.877 86 Q CB 0.181 28.918 28.738 -0.002 0.000 0.963 86 Q HN 0.266 8.728 8.270 0.320 0.000 0.472 87 D N -0.063 120.421 120.400 0.140 0.000 2.137 87 D HA -0.172 4.493 4.640 0.042 0.000 0.202 87 D C 0.850 177.141 176.300 -0.015 0.000 0.970 87 D CA 2.327 56.355 54.000 0.047 0.000 0.837 87 D CB 0.473 41.282 40.800 0.014 0.000 0.981 87 D HN -0.275 8.150 8.370 0.136 0.026 0.475 88 K N -3.373 117.012 120.400 -0.026 0.000 2.103 88 K HA -0.257 3.990 4.320 -0.121 0.000 0.207 88 K C 0.729 177.235 176.600 -0.158 0.000 1.048 88 K CA 2.317 58.537 56.287 -0.111 0.000 0.930 88 K CB -0.039 32.366 32.500 -0.158 0.000 0.716 88 K HN -0.551 7.706 8.250 0.012 0.000 0.444 89 L N -2.105 119.076 121.223 -0.069 0.000 2.456 89 L HA -0.042 4.368 4.340 -0.165 -0.168 0.257 89 L C -0.321 176.474 176.870 -0.124 0.000 1.162 89 L CA -0.770 53.998 54.840 -0.119 0.000 0.808 89 L CB 0.938 42.877 42.059 -0.200 0.000 1.136 89 L HN -1.019 7.234 8.230 0.056 0.010 0.466 90 Y N -0.744 119.435 120.300 -0.201 0.000 2.301 90 Y HA 0.146 4.678 4.550 -0.030 0.000 0.325 90 Y C -0.512 175.278 175.900 -0.183 0.000 1.203 90 Y CA -0.647 57.311 58.100 -0.237 0.000 1.255 90 Y CB -0.266 37.854 38.460 -0.567 0.000 1.232 90 Y HN -0.376 7.840 8.280 -0.108 0.000 0.501 91 P HA -0.332 4.298 4.420 0.349 0.000 0.213 91 P C 1.184 178.599 177.300 0.191 0.000 1.170 91 P CA 2.943 66.198 63.100 0.259 0.000 0.902 91 P CB 0.078 31.930 31.700 0.253 0.000 0.789 92 F N -6.477 113.596 119.950 0.205 0.000 2.154 92 F HA -0.385 4.194 4.527 0.087 0.000 0.301 92 F C 1.117 176.970 175.800 0.089 0.000 1.087 92 F CA 2.887 60.951 58.000 0.107 0.000 1.274 92 F CB -2.137 36.886 39.000 0.039 0.000 1.009 92 F HN -0.309 8.235 8.300 0.406 0.000 0.485 93 T N -2.996 111.086 114.554 -0.787 0.000 2.833 93 T HA -0.345 3.877 4.350 -0.214 0.000 0.269 93 T C 2.257 176.828 174.700 -0.216 0.000 1.054 93 T CA 3.369 65.180 62.100 -0.481 0.000 1.135 93 T CB -1.130 67.344 68.868 -0.656 0.000 0.869 93 T HN 0.081 7.350 8.240 -1.598 0.011 0.466 94 W N 1.237 122.472 121.300 -0.108 0.000 2.402 94 W HA -0.215 4.443 4.660 -0.004 0.000 0.286 94 W C 1.895 178.416 176.519 0.004 0.000 1.221 94 W CA 2.318 59.651 57.345 -0.020 0.000 1.257 94 W CB -0.230 29.232 29.460 0.003 0.000 1.120 94 W HN -0.423 7.648 8.180 0.034 0.129 0.551 95 D N -1.929 118.611 120.400 0.233 0.000 2.218 95 D HA -0.319 4.441 4.640 0.200 0.000 0.204 95 D C 1.118 177.474 176.300 0.094 0.000 0.976 95 D CA 2.880 56.982 54.000 0.169 0.000 0.853 95 D CB -0.304 40.578 40.800 0.137 0.000 0.939 95 D HN -0.507 7.861 8.370 0.212 0.129 0.481 96 A N -2.965 119.859 122.820 0.008 0.000 2.014 96 A HA -0.096 4.112 4.320 -0.187 0.000 0.218 96 A C 0.617 178.237 177.584 0.061 0.000 1.163 96 A CA 1.775 53.750 52.037 -0.103 0.000 0.652 96 A CB 0.356 19.189 19.000 -0.278 0.000 0.808 96 A HN -0.620 7.394 8.150 0.013 0.144 0.449 97 V N -5.479 114.484 119.914 0.081 0.000 2.584 97 V HA 0.240 4.396 4.120 0.060 0.000 0.319 97 V C -2.284 173.910 176.094 0.165 0.000 1.363 97 V CA -1.803 60.545 62.300 0.081 0.000 1.518 97 V CB -2.025 29.789 31.823 -0.016 0.000 1.514 97 V HN -0.639 7.466 8.190 0.092 0.141 0.553 98 R N -1.025 119.571 120.500 0.161 0.000 2.536 98 R HA 0.483 5.109 4.340 0.187 -0.174 0.269 98 R C -2.242 174.161 176.300 0.172 0.000 1.113 98 R CA -0.507 55.700 56.100 0.179 0.000 0.948 98 R CB 1.839 32.246 30.300 0.178 0.000 1.237 98 R HN -0.950 7.336 8.270 0.136 0.066 0.441 99 Y N 4.540 124.898 120.300 0.097 0.000 2.265 99 Y HA -0.036 4.571 4.550 0.095 0.000 0.290 99 Y C -0.392 175.559 175.900 0.085 0.000 1.137 99 Y CA 2.379 60.531 58.100 0.087 0.000 1.147 99 Y CB 1.405 39.904 38.460 0.066 0.000 1.104 99 Y HN -0.391 8.067 8.280 0.296 0.000 0.514 100 N N -1.043 117.849 118.700 0.320 0.000 2.599 100 N HA 0.017 4.867 4.740 0.183 0.000 0.309 100 N C -0.393 175.193 175.510 0.126 0.000 1.743 100 N CA -0.071 53.100 53.050 0.202 0.000 0.918 100 N CB 0.452 39.050 38.487 0.185 0.000 1.339 100 N HN -0.165 8.401 8.380 0.311 0.000 0.493 101 G N -1.290 107.584 108.800 0.122 0.000 2.284 101 G HA2 -0.321 3.687 3.960 0.080 0.000 0.230 101 G HA3 -0.321 3.675 3.960 0.060 0.000 0.230 101 G C -0.738 174.201 174.900 0.066 0.000 1.021 101 G CA -0.209 44.939 45.100 0.080 0.000 0.619 101 G HN -0.175 8.204 8.290 0.148 0.000 0.510 102 K N 1.163 121.611 120.400 0.081 0.000 2.218 102 K HA 0.090 4.429 4.320 0.032 0.000 0.276 102 K C -0.917 175.734 176.600 0.086 0.000 1.022 102 K CA -0.183 56.141 56.287 0.061 0.000 0.946 102 K CB 0.759 33.291 32.500 0.054 0.000 1.000 102 K HN -0.228 7.986 8.250 0.103 0.098 0.468 103 L N 1.328 122.589 121.223 0.064 0.000 2.289 103 L HA 0.364 4.959 4.340 0.155 -0.162 0.285 103 L C -0.023 176.905 176.870 0.097 0.000 1.049 103 L CA -0.729 54.178 54.840 0.111 0.000 0.804 103 L CB 0.776 42.891 42.059 0.092 0.000 1.195 103 L HN 0.319 8.566 8.230 0.028 0.000 0.428 104 I N -5.761 114.863 120.570 0.090 0.000 3.376 104 I HA 0.387 4.581 4.170 0.040 0.000 0.326 104 I C -1.931 174.123 176.117 -0.105 0.000 1.538 104 I CA -1.286 60.031 61.300 0.028 0.000 0.989 104 I CB 0.483 38.511 38.000 0.047 0.000 1.413 104 I HN -0.437 7.838 8.210 0.108 0.000 0.547 105 A N -1.565 121.183 122.820 -0.119 0.000 2.483 105 A HA 0.183 4.015 4.320 -0.814 0.000 0.294 105 A C -2.518 174.903 177.584 -0.271 0.000 1.077 105 A CA -0.382 51.350 52.037 -0.507 0.000 0.633 105 A CB 2.250 20.788 19.000 -0.770 0.000 1.318 105 A HN -0.647 7.551 8.150 0.081 0.000 0.455 106 Y N -5.996 114.179 120.300 -0.209 0.000 2.301 106 Y HA 0.256 4.437 4.550 -0.616 0.000 0.334 106 Y C -2.925 172.827 175.900 -0.246 0.000 1.158 106 Y CA -3.474 54.478 58.100 -0.247 0.000 1.266 106 Y CB 0.153 38.715 38.460 0.171 0.000 1.153 106 Y HN 0.388 8.032 8.280 -1.061 0.000 0.453 107 P HA -0.074 4.316 4.420 -0.050 0.000 0.265 107 P C -2.000 175.264 177.300 -0.061 0.000 1.187 107 P CA 0.805 63.819 63.100 -0.144 0.000 0.766 107 P CB 0.623 32.194 31.700 -0.216 0.000 0.820 108 I N -0.592 120.005 120.570 0.044 0.000 3.746 108 I HA 0.145 4.304 4.170 -0.019 0.000 0.262 108 I C -0.856 175.292 176.117 0.051 0.000 1.153 108 I CA 0.279 61.607 61.300 0.047 0.000 1.395 108 I CB 2.407 40.485 38.000 0.130 0.000 1.589 108 I HN -0.070 8.195 8.210 0.091 0.000 0.441 109 A N -1.786 121.088 122.820 0.091 0.000 2.325 109 A HA 0.360 4.722 4.320 0.070 0.000 0.333 109 A C -2.356 175.282 177.584 0.090 0.000 1.155 109 A CA -1.375 50.709 52.037 0.078 0.000 0.814 109 A CB 2.395 21.430 19.000 0.058 0.000 1.206 109 A HN -0.395 7.836 8.150 0.136 0.000 0.482 110 V N 1.626 121.588 119.914 0.081 0.000 2.604 110 V HA 0.246 4.436 4.120 0.118 0.000 0.305 110 V C -1.552 174.573 176.094 0.053 0.000 1.043 110 V CA -1.008 61.348 62.300 0.094 0.000 0.888 110 V CB 2.417 34.311 31.823 0.119 0.000 0.995 110 V HN 0.665 8.773 8.190 0.073 0.125 0.429 111 E N 3.940 124.176 120.200 0.060 0.000 2.416 111 E HA 0.421 4.756 4.350 -0.026 0.000 0.273 111 E C -2.473 174.154 176.600 0.044 0.000 0.935 111 E CA -1.164 55.245 56.400 0.015 0.000 0.784 111 E CB 4.564 34.263 29.700 -0.002 0.000 1.301 111 E HN 0.787 9.102 8.360 0.099 0.104 0.454 112 A N -0.800 122.025 122.820 0.008 0.000 2.590 112 A HA 0.197 4.555 4.320 0.063 0.000 0.294 112 A C -1.903 175.672 177.584 -0.016 0.000 1.046 112 A CA 0.023 52.078 52.037 0.030 0.000 0.684 112 A CB 2.172 21.202 19.000 0.050 0.000 1.279 112 A HN 0.233 8.359 8.150 -0.040 0.000 0.415 113 L N 1.748 122.962 121.223 -0.014 0.000 2.515 113 L HA 0.024 4.468 4.340 -0.091 -0.159 0.281 113 L C -0.110 176.758 176.870 -0.003 0.000 1.131 113 L CA 0.334 55.146 54.840 -0.046 0.000 0.905 113 L CB -1.274 40.734 42.059 -0.085 0.000 1.246 113 L HN 0.346 8.586 8.230 0.016 0.000 0.463 114 S N 1.204 116.904 115.700 -0.001 0.000 2.719 114 S HA 0.128 4.617 4.470 0.032 0.000 0.285 114 S C -1.767 172.859 174.600 0.042 0.000 1.137 114 S CA -0.849 57.370 58.200 0.033 0.000 1.012 114 S CB 2.519 65.754 63.200 0.059 0.000 1.134 114 S HN -0.325 7.968 8.310 -0.027 0.000 0.544 115 L N 1.369 122.626 121.223 0.055 0.000 2.255 115 L HA 0.187 4.546 4.340 0.031 0.000 0.289 115 L C -1.812 175.132 176.870 0.123 0.000 1.046 115 L CA -0.430 54.442 54.840 0.053 0.000 0.816 115 L CB 0.957 43.016 42.059 -0.000 0.000 1.197 115 L HN -0.388 7.880 8.230 0.062 0.000 0.427 116 I N 7.710 128.301 120.570 0.034 0.000 2.328 116 I HA 0.562 5.026 4.170 0.085 -0.243 0.287 116 I C -1.166 174.892 176.117 -0.099 0.000 1.012 116 I CA -1.350 59.923 61.300 -0.044 0.000 1.195 116 I CB 0.543 38.399 38.000 -0.239 0.000 1.350 116 I HN 0.481 8.676 8.210 -0.026 0.000 0.464 117 Y N 5.364 125.654 120.300 -0.015 0.000 2.630 117 Y HA 0.713 5.485 4.550 0.197 -0.103 0.337 117 Y C -2.451 173.688 175.900 0.399 0.000 1.051 117 Y CA -3.757 54.444 58.100 0.169 0.000 1.121 117 Y CB 2.338 40.855 38.460 0.094 0.000 1.299 117 Y HN -0.344 7.990 8.280 0.089 0.000 0.498 118 N N -1.351 117.610 118.700 0.434 0.000 2.405 118 N HA 0.338 5.248 4.740 0.029 -0.152 0.299 118 N C -0.067 175.490 175.510 0.078 0.000 1.075 118 N CA -1.083 52.043 53.050 0.126 0.000 0.884 118 N CB 3.250 41.707 38.487 -0.050 0.000 1.194 118 N HN 0.374 9.099 8.380 0.575 0.000 0.491 119 K N 2.157 122.537 120.400 -0.034 0.000 2.684 119 K HA 0.157 4.717 4.320 0.104 -0.179 0.215 119 K C -1.122 175.476 176.600 -0.002 0.000 1.073 119 K CA 0.331 56.625 56.287 0.012 0.000 1.197 119 K CB -0.278 32.198 32.500 -0.041 0.000 0.955 119 K HN 0.388 8.579 8.250 -0.099 0.000 0.473 120 D N -1.158 119.238 120.400 -0.007 0.000 2.269 120 D HA -0.097 4.525 4.640 -0.030 0.000 0.220 120 D C 0.463 176.764 176.300 0.001 0.000 0.962 120 D CA 2.157 56.144 54.000 -0.023 0.000 0.884 120 D CB 0.023 40.790 40.800 -0.054 0.000 1.023 120 D HN 0.158 8.430 8.370 0.003 0.099 0.484 121 L N -3.604 117.633 121.223 0.022 0.000 2.547 121 L HA 0.240 4.590 4.340 0.018 0.000 0.218 121 L C 0.024 176.924 176.870 0.049 0.000 1.048 121 L CA 0.149 55.007 54.840 0.029 0.000 0.859 121 L CB 1.419 43.494 42.059 0.027 0.000 1.128 121 L HN -0.431 7.818 8.230 0.032 0.000 0.483 122 L N -0.155 121.118 121.223 0.083 0.000 2.297 122 L HA 0.418 4.797 4.340 0.064 0.000 0.277 122 L C -1.352 175.598 176.870 0.134 0.000 1.040 122 L CA -2.685 52.213 54.840 0.097 0.000 0.867 122 L CB 2.058 44.187 42.059 0.116 0.000 1.244 122 L HN -0.485 7.803 8.230 0.097 0.000 0.433 123 P HA -0.080 4.411 4.420 0.119 0.000 0.215 123 P C -0.845 176.517 177.300 0.104 0.000 1.157 123 P CA 1.086 64.244 63.100 0.097 0.000 0.856 123 P CB 0.341 32.070 31.700 0.049 0.000 0.786 124 N N -0.967 117.754 118.700 0.035 0.000 2.457 124 N HA 0.251 4.983 4.740 -0.014 0.000 0.250 124 N C -2.059 173.379 175.510 -0.120 0.000 0.982 124 N CA -1.855 51.180 53.050 -0.026 0.000 0.941 124 N CB 0.804 39.275 38.487 -0.027 0.000 1.120 124 N HN -0.138 8.258 8.380 0.028 0.000 0.505 125 P HA 0.195 4.348 4.420 -0.444 0.000 0.277 125 P C -2.084 175.032 177.300 -0.306 0.000 1.240 125 P CA -1.721 61.076 63.100 -0.505 0.000 0.798 125 P CB -0.052 30.979 31.700 -1.115 0.000 0.979 126 P HA 0.033 4.363 4.420 -0.149 0.000 0.276 126 P C -0.742 176.417 177.300 -0.235 0.000 1.264 126 P CA -0.479 62.497 63.100 -0.207 0.000 0.769 126 P CB 0.368 31.951 31.700 -0.196 0.000 0.840 127 K N -0.137 120.160 120.400 -0.171 0.000 2.305 127 K HA -0.044 4.172 4.320 -0.173 0.000 0.199 127 K C -0.240 176.276 176.600 -0.140 0.000 1.047 127 K CA 0.416 56.613 56.287 -0.150 0.000 0.976 127 K CB 0.710 33.150 32.500 -0.100 0.000 0.765 127 K HN 0.448 8.616 8.250 -0.135 0.000 0.474 128 T N -6.183 108.299 114.554 -0.120 0.000 2.885 128 T HA 0.278 4.603 4.350 -0.041 0.000 0.285 128 T C 1.001 175.672 174.700 -0.048 0.000 1.019 128 T CA -1.932 60.133 62.100 -0.059 0.000 1.010 128 T CB 1.400 70.255 68.868 -0.022 0.000 1.022 128 T HN -0.615 7.527 8.240 -0.114 0.030 0.466 129 W N 3.273 124.577 121.300 0.007 0.000 2.402 129 W HA -0.277 4.412 4.660 0.047 0.000 0.286 129 W C 1.673 178.251 176.519 0.099 0.000 1.221 129 W CA 3.865 61.239 57.345 0.047 0.000 1.257 129 W CB 0.362 29.851 29.460 0.048 0.000 1.120 129 W HN 0.291 8.632 8.180 0.269 0.000 0.551 130 E N -3.168 117.196 120.200 0.275 0.000 2.338 130 E HA -0.308 4.308 4.350 0.442 0.000 0.197 130 E C 1.419 178.129 176.600 0.184 0.000 1.007 130 E CA 2.899 59.450 56.400 0.251 0.000 0.849 130 E CB -0.583 29.171 29.700 0.090 0.000 0.774 130 E HN 0.158 8.609 8.360 0.186 0.021 0.506 131 E N -1.074 119.196 120.200 0.116 0.000 2.385 131 E HA -0.080 4.311 4.350 0.069 0.000 0.194 131 E C 1.574 178.224 176.600 0.083 0.000 1.013 131 E CA 1.307 57.747 56.400 0.067 0.000 0.866 131 E CB -0.116 29.587 29.700 0.004 0.000 0.832 131 E HN -0.657 7.587 8.360 0.099 0.175 0.500 132 I N 0.406 121.052 120.570 0.126 0.000 2.233 132 I HA -0.192 4.025 4.170 0.078 0.000 0.243 132 I C -0.932 175.304 176.117 0.200 0.000 1.093 132 I CA 5.664 67.050 61.300 0.143 0.000 1.380 132 I CB -2.654 35.456 38.000 0.184 0.000 1.067 132 I HN -0.579 7.574 8.210 0.165 0.156 0.413 133 P HA -0.314 4.248 4.420 0.236 0.000 0.217 133 P C 0.652 178.094 177.300 0.235 0.000 1.158 133 P CA 3.128 66.351 63.100 0.205 0.000 0.887 133 P CB -0.788 30.968 31.700 0.092 0.000 0.792 134 A N -4.884 118.035 122.820 0.165 0.000 1.902 134 A HA -0.288 4.117 4.320 0.142 0.000 0.217 134 A C 1.840 179.492 177.584 0.114 0.000 1.181 134 A CA 2.695 54.810 52.037 0.130 0.000 0.623 134 A CB -0.623 18.430 19.000 0.089 0.000 0.818 134 A HN -0.154 8.081 8.150 0.149 0.005 0.443 135 L N -1.421 119.867 121.223 0.109 0.000 2.083 135 L HA -0.411 3.969 4.340 0.067 0.000 0.209 135 L C 1.861 178.790 176.870 0.099 0.000 1.083 135 L CA 3.221 58.113 54.840 0.087 0.000 0.752 135 L CB -0.165 41.938 42.059 0.074 0.000 0.899 135 L HN -0.387 7.810 8.230 0.114 0.102 0.433 136 D N -2.379 118.107 120.400 0.145 0.000 2.221 136 D HA -0.234 4.475 4.640 0.116 0.000 0.204 136 D C 1.704 178.038 176.300 0.056 0.000 0.982 136 D CA 3.322 57.404 54.000 0.136 0.000 0.857 136 D CB -0.394 40.561 40.800 0.258 0.000 0.934 136 D HN -0.037 8.339 8.370 0.181 0.104 0.475 137 K N -3.081 117.355 120.400 0.060 0.000 2.211 137 K HA -0.138 4.155 4.320 -0.044 0.000 0.201 137 K C 1.572 178.182 176.600 0.017 0.000 1.052 137 K CA 2.668 58.960 56.287 0.009 0.000 0.973 137 K CB 0.419 32.937 32.500 0.031 0.000 0.766 137 K HN -0.647 7.522 8.250 0.110 0.147 0.466 138 E N -0.548 119.674 120.200 0.036 0.000 2.045 138 E HA -0.144 4.219 4.350 0.021 0.000 0.190 138 E C 2.189 178.805 176.600 0.028 0.000 0.968 138 E CA 1.962 58.380 56.400 0.029 0.000 0.813 138 E CB 0.231 29.951 29.700 0.034 0.000 0.780 138 E HN -0.698 7.590 8.360 0.053 0.104 0.455 139 L N -1.020 120.226 121.223 0.039 0.000 2.187 139 L HA -0.332 4.029 4.340 0.035 0.000 0.213 139 L C 1.814 178.702 176.870 0.031 0.000 1.100 139 L CA 3.230 58.094 54.840 0.040 0.000 0.765 139 L CB 0.000 42.093 42.059 0.056 0.000 0.904 139 L HN 0.534 8.684 8.230 0.048 0.109 0.437 140 K N -1.966 118.449 120.400 0.024 0.000 2.228 140 K HA -0.153 4.378 4.320 0.016 -0.202 0.202 140 K C 1.251 177.854 176.600 0.004 0.000 1.051 140 K CA 1.681 57.975 56.287 0.011 0.000 0.960 140 K CB -0.645 31.853 32.500 -0.005 0.000 0.743 140 K HN -0.392 7.837 8.250 0.026 0.036 0.458 141 A N -0.919 121.904 122.820 0.005 0.000 1.933 141 A HA -0.190 4.128 4.320 -0.002 0.000 0.218 141 A C 1.942 179.529 177.584 0.005 0.000 1.175 141 A CA 2.620 54.659 52.037 0.003 0.000 0.628 141 A CB -0.718 18.285 19.000 0.005 0.000 0.814 141 A HN -0.272 7.735 8.150 0.009 0.148 0.444 142 K N -3.323 117.082 120.400 0.009 0.000 2.217 142 K HA -0.095 4.229 4.320 0.006 0.000 0.202 142 K C 0.523 177.127 176.600 0.007 0.000 1.051 142 K CA 0.530 56.822 56.287 0.008 0.000 0.952 142 K CB 0.429 32.936 32.500 0.011 0.000 0.736 142 K HN -0.377 7.869 8.250 0.012 0.012 0.453 143 G N -2.717 106.088 108.800 0.008 0.000 2.189 143 G HA2 -0.278 3.685 3.960 0.005 0.000 0.113 143 G HA3 -0.278 3.685 3.960 0.005 0.000 0.113 143 G C -1.410 173.497 174.900 0.012 0.000 1.038 143 G CA -0.345 44.759 45.100 0.007 0.000 0.704 143 G HN -0.451 7.704 8.290 0.010 0.141 0.490 144 K N -2.699 117.713 120.400 0.019 0.000 2.536 144 K HA 0.496 4.832 4.320 0.026 0.000 0.269 144 K C -1.825 174.800 176.600 0.041 0.000 0.965 144 K CA -2.204 54.101 56.287 0.029 0.000 0.860 144 K CB 4.193 36.711 32.500 0.031 0.000 1.423 144 K HN -0.557 7.704 8.250 0.019 0.000 0.438 145 S N -1.161 114.571 115.700 0.054 0.000 2.655 145 S HA 0.189 4.696 4.470 0.063 0.000 0.265 145 S C 0.588 175.243 174.600 0.091 0.000 1.240 145 S CA -1.109 57.134 58.200 0.071 0.000 0.986 145 S CB 1.341 64.587 63.200 0.078 0.000 0.985 145 S HN 0.185 8.527 8.310 0.054 0.000 0.562 146 A N 0.250 123.135 122.820 0.109 0.000 1.944 146 A HA 0.198 4.581 4.320 0.105 0.000 0.209 146 A C -1.872 175.794 177.584 0.137 0.000 1.328 146 A CA 0.862 52.969 52.037 0.117 0.000 0.693 146 A CB 1.020 20.092 19.000 0.119 0.000 0.994 146 A HN 0.654 8.873 8.150 0.115 0.000 0.485 147 L N -3.143 118.179 121.223 0.166 0.000 2.513 147 L HA 0.501 5.142 4.340 0.176 -0.196 0.261 147 L C -1.784 175.241 176.870 0.259 0.000 0.945 147 L CA 0.147 55.104 54.840 0.195 0.000 0.848 147 L CB 4.124 46.283 42.059 0.167 0.000 1.334 147 L HN -0.631 7.704 8.230 0.175 0.000 0.407 148 M N -0.075 119.683 119.600 0.264 0.000 2.791 148 M HA 0.534 5.171 4.480 0.262 0.000 0.286 148 M C -2.291 174.253 176.300 0.407 0.000 1.238 148 M CA -1.492 53.957 55.300 0.248 0.000 0.762 148 M CB 3.134 35.788 32.600 0.090 0.000 1.758 148 M HN -0.444 7.985 8.290 0.231 0.000 0.447 149 F N -5.568 114.440 119.950 0.098 0.000 3.410 149 F HA 0.292 4.860 4.527 0.068 0.000 0.328 149 F C -2.659 173.073 175.800 -0.112 0.000 1.099 149 F CA -0.803 57.232 58.000 0.058 0.000 0.841 149 F CB 0.649 39.775 39.000 0.209 0.000 1.527 149 F HN -0.216 7.942 8.300 -0.237 0.000 0.478 150 N N 0.072 118.610 118.700 -0.271 0.000 2.401 150 N HA 0.026 4.563 4.740 -0.338 0.000 0.255 150 N C -0.249 175.102 175.510 -0.265 0.000 1.110 150 N CA -0.219 52.508 53.050 -0.538 0.000 0.949 150 N CB -0.259 37.482 38.487 -1.242 0.000 1.110 150 N HN 0.110 8.317 8.380 -0.287 0.000 0.490 151 L N 5.081 126.138 121.223 -0.277 0.000 2.851 151 L HA 0.034 4.418 4.340 0.073 0.000 0.237 151 L C -0.892 175.976 176.870 -0.003 0.000 1.257 151 L CA -0.586 54.183 54.840 -0.119 0.000 1.061 151 L CB -0.711 41.205 42.059 -0.237 0.000 1.372 151 L HN -0.313 7.739 8.230 -0.297 0.000 0.493 152 Q N -3.080 116.729 119.800 0.015 0.000 2.129 152 Q HA 0.219 4.583 4.340 0.039 0.000 0.274 152 Q C -0.834 175.232 176.000 0.109 0.000 0.854 152 Q CA -1.269 54.560 55.803 0.043 0.000 1.123 152 Q CB 0.642 29.390 28.738 0.017 0.000 1.226 152 Q HN -0.442 7.923 8.270 -0.030 -0.114 0.454 153 E N -0.078 120.248 120.200 0.209 0.000 2.531 153 E HA 0.336 4.813 4.350 0.211 0.000 0.323 153 E C -1.896 174.936 176.600 0.386 0.000 0.908 153 E CA -2.048 54.537 56.400 0.309 0.000 0.792 153 E CB 2.500 32.472 29.700 0.454 0.000 1.360 153 E HN -0.574 7.859 8.360 0.224 0.061 0.394 154 P HA -0.118 4.464 4.420 0.270 0.000 0.218 154 P C 0.178 177.671 177.300 0.322 0.000 1.146 154 P CA 1.655 64.899 63.100 0.240 0.000 0.813 154 P CB 0.207 31.941 31.700 0.056 0.000 0.778 155 Y N -3.464 116.883 120.300 0.078 0.000 2.256 155 Y HA -0.288 4.318 4.550 0.094 0.000 0.288 155 Y C 1.879 177.924 175.900 0.241 0.000 1.155 155 Y CA 2.706 60.841 58.100 0.058 0.000 1.203 155 Y CB -0.474 37.876 38.460 -0.184 0.000 0.980 155 Y HN -0.240 8.247 8.280 0.419 0.044 0.530 156 F N -2.212 117.952 119.950 0.357 0.000 2.259 156 F HA -0.158 4.528 4.527 0.264 0.000 0.298 156 F C 0.870 176.722 175.800 0.086 0.000 1.088 156 F CA 3.150 61.308 58.000 0.264 0.000 1.358 156 F CB 0.492 39.715 39.000 0.371 0.000 1.040 156 F HN 0.094 8.683 8.300 0.713 0.139 0.505 157 T N -4.212 110.532 114.554 0.317 0.000 3.264 157 T HA 0.157 4.428 4.350 -0.131 0.000 0.257 157 T C 0.144 174.942 174.700 0.164 0.000 0.976 157 T CA -1.563 60.599 62.100 0.103 0.000 0.908 157 T CB -0.312 68.650 68.868 0.158 0.000 1.082 157 T HN -0.596 7.768 8.240 0.431 0.135 0.567 158 W N 2.409 123.665 121.300 -0.072 0.000 2.480 158 W HA 0.160 4.739 4.660 -0.135 0.000 0.299 158 W C -1.968 174.405 176.519 -0.243 0.000 1.187 158 W CA 2.542 59.797 57.345 -0.150 0.000 1.347 158 W CB -0.950 28.409 29.460 -0.169 0.000 1.121 158 W HN -0.603 7.697 8.180 0.354 0.092 0.533 159 P HA -0.213 4.076 4.420 -0.219 0.000 0.223 159 P C 0.240 177.326 177.300 -0.358 0.000 1.144 159 P CA 2.462 65.453 63.100 -0.182 0.000 0.783 159 P CB -0.657 31.046 31.700 0.005 0.000 0.771 160 L N -5.909 115.005 121.223 -0.517 0.000 2.298 160 L HA 0.000 3.744 4.340 -0.993 0.000 0.209 160 L C 0.223 176.648 176.870 -0.741 0.000 1.084 160 L CA 1.650 55.992 54.840 -0.830 0.000 0.816 160 L CB 0.305 41.779 42.059 -0.975 0.000 0.967 160 L HN -0.300 7.639 8.230 -0.391 0.056 0.460 161 I N -3.509 116.721 120.570 -0.567 0.000 2.681 161 I HA -0.285 3.576 4.170 -0.515 0.000 0.247 161 I C 1.544 177.273 176.117 -0.647 0.000 1.091 161 I CA 2.314 63.288 61.300 -0.544 0.000 1.442 161 I CB 0.243 37.996 38.000 -0.411 0.000 1.219 161 I HN -1.006 6.816 8.210 -0.481 0.100 0.451 162 A N -0.470 121.779 122.820 -0.952 0.000 1.978 162 A HA -0.353 3.499 4.320 -0.910 -0.078 0.220 162 A C 2.054 179.307 177.584 -0.552 0.000 1.170 162 A CA 2.772 54.213 52.037 -0.993 0.000 0.636 162 A CB -0.909 17.125 19.000 -1.610 0.000 0.810 162 A HN 0.236 7.642 8.150 -1.084 0.094 0.448 163 A N -2.521 120.015 122.820 -0.473 0.000 1.908 163 A HA -0.282 3.893 4.320 -0.243 0.000 0.218 163 A C 1.081 178.536 177.584 -0.215 0.000 1.181 163 A CA 2.429 54.290 52.037 -0.292 0.000 0.627 163 A CB -0.587 18.263 19.000 -0.251 0.000 0.818 163 A HN -0.445 7.354 8.150 -0.542 0.026 0.445 164 D N -3.404 116.834 120.400 -0.269 0.000 2.263 164 D HA -0.195 4.426 4.640 -0.031 0.000 0.208 164 D C 0.184 176.409 176.300 -0.125 0.000 0.971 164 D CA 1.349 55.259 54.000 -0.150 0.000 0.867 164 D CB 0.785 41.463 40.800 -0.203 0.000 0.929 164 D HN -0.469 7.662 8.370 -0.399 0.000 0.492 165 G N -2.945 105.747 108.800 -0.181 0.000 2.327 165 G HA2 -0.167 3.744 3.960 -0.082 0.000 0.234 165 G HA3 -0.167 3.747 3.960 -0.077 0.000 0.234 165 G C -1.856 172.949 174.900 -0.159 0.000 1.884 165 G CA -0.422 44.607 45.100 -0.118 0.000 1.132 165 G HN -0.668 7.287 8.290 -0.264 0.178 0.633 166 G N 0.253 108.915 108.800 -0.230 0.000 2.759 166 G HA2 0.666 4.490 3.960 -0.320 0.000 0.297 166 G HA3 0.666 4.344 3.960 -0.444 0.016 0.297 166 G C -2.714 172.026 174.900 -0.266 0.000 1.434 166 G CA 0.191 45.094 45.100 -0.328 0.000 0.980 166 G HN -0.473 7.592 8.290 -0.249 0.075 0.531 167 Y N -1.382 118.842 120.300 -0.127 0.000 2.728 167 Y HA 0.357 4.963 4.550 0.093 0.000 0.330 167 Y C -1.950 173.994 175.900 0.073 0.000 1.234 167 Y CA -1.467 56.645 58.100 0.020 0.000 1.070 167 Y CB 1.727 40.179 38.460 -0.014 0.000 1.300 167 Y HN 0.046 7.780 8.280 -0.683 0.136 0.467 168 A N -1.647 121.196 122.820 0.038 0.000 2.035 168 A HA 0.213 4.171 4.320 -0.603 0.000 0.208 168 A C -1.431 175.699 177.584 -0.758 0.000 1.206 168 A CA 0.660 52.221 52.037 -0.793 0.000 0.773 168 A CB 0.793 18.538 19.000 -2.091 0.000 0.878 168 A HN 0.449 8.708 8.150 0.182 0.000 0.469 169 F N -4.814 115.274 119.950 0.231 0.000 2.626 169 F HA 0.327 5.162 4.527 0.259 -0.153 0.311 169 F C -1.477 174.499 175.800 0.293 0.000 1.088 169 F CA -1.879 56.282 58.000 0.269 0.000 0.949 169 F CB 4.463 43.553 39.000 0.151 0.000 1.322 169 F HN -0.627 7.829 8.300 0.259 0.000 0.461 170 K N 1.777 122.437 120.400 0.434 0.000 2.281 170 K HA 0.256 4.424 4.320 -0.254 0.000 0.272 170 K C -1.457 175.207 176.600 0.107 0.000 1.048 170 K CA -1.621 54.721 56.287 0.092 0.000 0.898 170 K CB 1.719 34.291 32.500 0.121 0.000 1.128 170 K HN 0.084 8.642 8.250 0.513 0.000 0.460 171 Y N 8.932 129.164 120.300 -0.114 0.000 2.587 171 Y HA 0.002 4.349 4.550 -0.567 -0.137 0.344 171 Y C -0.633 175.104 175.900 -0.272 0.000 1.061 171 Y CA 0.675 58.554 58.100 -0.368 0.000 1.370 171 Y CB -0.006 38.175 38.460 -0.466 0.000 1.163 171 Y HN 0.608 8.934 8.280 0.077 0.000 0.527 172 E N 7.156 126.973 120.200 -0.638 0.000 2.390 172 E HA 0.105 4.129 4.350 -0.542 0.000 0.280 172 E C -1.549 174.780 176.600 -0.451 0.000 0.992 172 E CA -0.437 55.670 56.400 -0.487 0.000 0.790 172 E CB 2.737 32.302 29.700 -0.225 0.000 1.248 172 E HN 0.817 8.707 8.360 -0.614 0.102 0.447 173 N N 1.865 120.355 118.700 -0.351 0.000 2.741 173 N HA -0.276 4.349 4.740 -0.191 0.000 0.250 173 N C -0.239 175.105 175.510 -0.277 0.000 1.115 173 N CA 0.936 53.840 53.050 -0.243 0.000 0.724 173 N CB -0.671 37.722 38.487 -0.156 0.000 1.090 173 N HN 0.589 8.777 8.380 -0.321 0.000 0.558 174 G N -5.372 103.157 108.800 -0.453 0.000 2.383 174 G HA2 -0.375 3.398 3.960 -0.313 0.000 0.229 174 G HA3 -0.375 3.482 3.960 -0.173 0.000 0.229 174 G C -1.835 172.842 174.900 -0.371 0.000 1.089 174 G CA 0.139 45.030 45.100 -0.349 0.000 0.640 174 G HN 0.369 8.262 8.290 -0.619 0.026 0.510 175 K N -2.579 117.619 120.400 -0.338 0.000 2.393 175 K HA 0.111 4.450 4.320 0.032 0.000 0.241 175 K C -1.948 174.476 176.600 -0.292 0.000 1.055 175 K CA -2.078 54.122 56.287 -0.145 0.000 0.951 175 K CB 2.109 34.612 32.500 0.004 0.000 1.285 175 K HN -1.135 6.826 8.250 -0.311 0.102 0.500 176 Y N -1.673 118.641 120.300 0.022 0.000 2.331 176 Y HA 0.280 5.057 4.550 0.090 -0.172 0.338 176 Y C 0.152 176.026 175.900 -0.043 0.000 0.976 176 Y CA -2.014 56.113 58.100 0.045 0.000 1.137 176 Y CB 0.940 39.444 38.460 0.073 0.000 1.172 176 Y HN -0.182 8.356 8.280 0.430 0.000 0.478 177 D N 3.632 124.116 120.400 0.140 0.000 2.493 177 D HA -0.134 4.545 4.640 0.066 0.000 0.240 177 D C 0.398 176.822 176.300 0.207 0.000 1.142 177 D CA 0.301 54.378 54.000 0.129 0.000 0.872 177 D CB 1.623 42.503 40.800 0.134 0.000 1.173 177 D HN 0.565 8.905 8.370 0.119 0.102 0.467 178 I N -0.827 119.817 120.570 0.123 0.000 3.228 178 I HA -0.022 4.304 4.170 0.261 0.000 0.279 178 I C 0.186 176.489 176.117 0.311 0.000 1.221 178 I CA 1.197 62.616 61.300 0.197 0.000 1.458 178 I CB 0.587 38.616 38.000 0.048 0.000 1.105 178 I HN 0.079 8.334 8.210 0.075 0.000 0.445 179 K N -1.960 118.563 120.400 0.205 0.000 2.577 179 K HA 0.081 4.504 4.320 0.173 0.000 0.210 179 K C -1.051 175.650 176.600 0.169 0.000 1.048 179 K CA -0.402 55.985 56.287 0.167 0.000 1.188 179 K CB -0.155 32.412 32.500 0.111 0.000 0.910 179 K HN -0.334 8.342 8.250 0.162 -0.329 0.483 180 D N 0.680 121.221 120.400 0.234 0.000 2.330 180 D HA 0.142 4.878 4.640 0.160 0.000 0.249 180 D C -2.128 174.328 176.300 0.260 0.000 1.306 180 D CA -0.153 53.983 54.000 0.227 0.000 0.956 180 D CB 1.716 42.661 40.800 0.242 0.000 1.261 180 D HN -0.524 7.935 8.370 0.318 0.101 0.544 181 V N 1.429 121.399 119.914 0.094 0.000 2.612 181 V HA 0.178 4.440 4.120 -0.064 -0.180 0.301 181 V C 0.772 176.662 176.094 -0.339 0.000 1.046 181 V CA -1.910 60.345 62.300 -0.075 0.000 0.946 181 V CB 1.338 33.135 31.823 -0.044 0.000 1.003 181 V HN 0.009 8.246 8.190 0.079 0.000 0.459 182 G N 5.680 114.005 108.800 -0.793 0.000 4.477 182 G HA2 0.289 3.787 3.960 -0.770 0.000 0.319 182 G HA3 0.289 2.962 3.960 -2.176 -0.019 0.319 182 G C -0.708 173.918 174.900 -0.455 0.000 1.391 182 G CA -0.168 44.286 45.100 -1.076 0.000 1.261 182 G HN 0.329 8.129 8.290 -0.653 0.098 0.556 183 V N 1.682 121.473 119.914 -0.205 0.000 2.602 183 V HA -0.010 4.086 4.120 -0.041 0.000 0.235 183 V C 0.346 176.387 176.094 -0.089 0.000 1.087 183 V CA 1.140 63.402 62.300 -0.064 0.000 1.117 183 V CB 0.585 32.433 31.823 0.043 0.000 0.820 183 V HN -0.631 7.446 8.190 -0.189 0.000 0.490 184 D N -0.358 119.998 120.400 -0.073 0.000 2.934 184 D HA -0.135 4.475 4.640 -0.051 0.000 0.237 184 D C -1.565 174.692 176.300 -0.071 0.000 1.158 184 D CA -1.226 52.740 54.000 -0.057 0.000 0.971 184 D CB -2.313 38.468 40.800 -0.031 0.000 1.123 184 D HN 0.149 8.479 8.370 -0.066 0.000 0.467 185 N N -0.909 117.730 118.700 -0.101 0.000 2.476 185 N HA 0.021 4.719 4.740 -0.070 0.000 0.276 185 N C 0.800 176.271 175.510 -0.065 0.000 1.204 185 N CA -0.859 52.137 53.050 -0.090 0.000 0.974 185 N CB 2.936 41.348 38.487 -0.125 0.000 1.204 185 N HN -0.541 7.682 8.380 -0.122 0.083 0.543 186 A N 0.020 122.813 122.820 -0.044 0.000 1.978 186 A HA -0.207 4.098 4.320 -0.023 0.000 0.220 186 A C 1.512 179.075 177.584 -0.035 0.000 1.170 186 A CA 2.925 54.945 52.037 -0.029 0.000 0.636 186 A CB -0.131 18.860 19.000 -0.015 0.000 0.810 186 A HN 0.464 8.592 8.150 -0.037 0.000 0.448 187 G N -3.753 105.013 108.800 -0.056 0.000 2.437 187 G HA2 -0.167 3.862 3.960 -0.036 0.000 0.212 187 G HA3 -0.167 3.885 3.960 -0.081 -0.141 0.212 187 G C 0.670 175.495 174.900 -0.124 0.000 1.174 187 G CA 0.689 45.746 45.100 -0.071 0.000 0.811 187 G HN -0.261 7.974 8.290 -0.061 0.018 0.537 188 A N 2.975 125.700 122.820 -0.158 0.000 1.940 188 A HA -0.243 3.918 4.320 -0.265 0.000 0.219 188 A C 1.904 179.410 177.584 -0.131 0.000 1.176 188 A CA 2.589 54.508 52.037 -0.197 0.000 0.631 188 A CB -0.693 18.181 19.000 -0.210 0.000 0.814 188 A HN -0.503 7.559 8.150 -0.147 0.000 0.446 189 K N -2.847 117.502 120.400 -0.085 0.000 2.147 189 K HA -0.308 3.984 4.320 -0.046 0.000 0.205 189 K C 2.091 178.670 176.600 -0.035 0.000 1.049 189 K CA 3.183 59.441 56.287 -0.050 0.000 0.936 189 K CB -0.104 32.377 32.500 -0.032 0.000 0.722 189 K HN 0.054 8.242 8.250 -0.084 0.011 0.446 190 A N -2.032 120.768 122.820 -0.034 0.000 1.984 190 A HA 0.157 4.495 4.320 0.029 0.000 0.214 190 A C 1.557 179.127 177.584 -0.024 0.000 1.173 190 A CA 1.724 53.766 52.037 0.009 0.000 0.673 190 A CB -0.134 18.898 19.000 0.052 0.000 0.830 190 A HN -0.721 7.278 8.150 -0.048 0.121 0.453 191 G N -0.425 108.286 108.800 -0.149 0.000 2.459 191 G HA2 -0.325 3.322 3.960 -0.521 0.000 0.217 191 G HA3 -0.325 3.395 3.960 -0.400 0.000 0.217 191 G C 1.063 175.839 174.900 -0.207 0.000 1.183 191 G CA 1.854 46.757 45.100 -0.328 0.000 0.776 191 G HN 0.090 8.102 8.290 -0.147 0.190 0.552 192 L N 0.441 121.589 121.223 -0.126 0.000 2.046 192 L HA -0.299 4.001 4.340 -0.066 0.000 0.208 192 L C 1.872 178.742 176.870 -0.001 0.000 1.077 192 L CA 3.369 58.175 54.840 -0.056 0.000 0.747 192 L CB 0.101 42.142 42.059 -0.031 0.000 0.896 192 L HN -0.325 7.828 8.230 -0.129 0.000 0.432 193 T N 1.059 115.620 114.554 0.012 0.000 2.822 193 T HA -0.502 3.857 4.350 0.014 0.000 0.270 193 T C 1.672 176.400 174.700 0.047 0.000 1.064 193 T CA 4.915 67.033 62.100 0.030 0.000 1.131 193 T CB -0.380 68.511 68.868 0.039 0.000 0.858 193 T HN -0.465 7.772 8.240 -0.005 0.000 0.483 194 F N 2.526 122.431 119.950 -0.076 0.000 2.060 194 F HA -0.320 4.200 4.527 -0.011 0.000 0.295 194 F C 1.464 177.227 175.800 -0.062 0.000 1.120 194 F CA 4.618 62.580 58.000 -0.064 0.000 1.205 194 F CB 0.185 39.101 39.000 -0.141 0.000 0.986 194 F HN -0.655 7.585 8.300 0.159 0.156 0.470 195 L N -2.186 119.122 121.223 0.143 0.000 2.131 195 L HA -0.282 4.142 4.340 0.141 0.000 0.210 195 L C 1.327 178.233 176.870 0.059 0.000 1.092 195 L CA 2.932 57.834 54.840 0.104 0.000 0.759 195 L CB -0.287 41.828 42.059 0.093 0.000 0.903 195 L HN -0.643 7.661 8.230 0.123 0.000 0.435 196 V N -0.068 119.864 119.914 0.032 0.000 2.244 196 V HA -0.581 3.559 4.120 0.034 0.000 0.244 196 V C 1.856 177.948 176.094 -0.004 0.000 1.042 196 V CA 5.118 67.430 62.300 0.019 0.000 1.006 196 V CB -0.512 31.319 31.823 0.013 0.000 0.641 196 V HN 0.246 8.431 8.190 0.033 0.024 0.446 197 D N -1.104 119.270 120.400 -0.044 0.000 2.221 197 D HA -0.280 4.339 4.640 -0.034 0.000 0.204 197 D C 2.476 178.739 176.300 -0.062 0.000 0.982 197 D CA 3.396 57.355 54.000 -0.068 0.000 0.857 197 D CB -0.212 40.510 40.800 -0.130 0.000 0.934 197 D HN -0.421 7.919 8.370 -0.050 0.000 0.475 198 L N -0.675 120.502 121.223 -0.077 0.000 1.970 198 L HA -0.398 3.886 4.340 -0.094 0.000 0.212 198 L C 2.088 179.013 176.870 0.093 0.000 1.071 198 L CA 3.513 58.342 54.840 -0.017 0.000 0.751 198 L CB -0.130 41.942 42.059 0.022 0.000 0.889 198 L HN -0.657 7.397 8.230 -0.087 0.124 0.432 199 I N -2.402 118.209 120.570 0.069 0.000 2.454 199 I HA -0.462 3.753 4.170 0.074 0.000 0.254 199 I C 2.805 178.951 176.117 0.048 0.000 1.156 199 I CA 3.653 64.990 61.300 0.062 0.000 1.433 199 I CB -0.502 37.523 38.000 0.043 0.000 1.082 199 I HN -0.658 7.586 8.210 0.057 0.000 0.432 200 K N 0.126 120.549 120.400 0.039 0.000 2.103 200 K HA -0.213 4.122 4.320 0.024 0.000 0.204 200 K C 1.237 177.862 176.600 0.042 0.000 1.052 200 K CA 2.792 59.097 56.287 0.029 0.000 0.945 200 K CB -0.075 32.434 32.500 0.015 0.000 0.722 200 K HN -0.379 7.769 8.250 0.031 0.120 0.443 201 N N -3.441 115.304 118.700 0.076 0.000 2.313 201 N HA 0.131 4.911 4.740 0.067 0.000 0.207 201 N C -1.571 173.995 175.510 0.093 0.000 1.141 201 N CA -0.624 52.495 53.050 0.114 0.000 0.830 201 N CB -0.348 38.270 38.487 0.218 0.000 1.008 201 N HN -0.367 7.962 8.380 0.079 0.098 0.481 202 K N -3.678 116.760 120.400 0.062 0.000 3.071 202 K HA -0.404 3.932 4.320 0.027 0.000 0.265 202 K C -0.895 175.699 176.600 -0.010 0.000 1.060 202 K CA 1.302 57.599 56.287 0.017 0.000 0.767 202 K CB -2.382 30.106 32.500 -0.020 0.000 1.241 202 K HN -0.659 7.430 8.250 0.063 0.199 0.486 203 H N -5.110 113.973 119.070 0.021 0.000 2.547 203 H HA -0.030 4.549 4.556 0.039 0.000 0.272 203 H C -0.263 175.100 175.328 0.057 0.000 0.971 203 H CA 1.911 57.983 56.048 0.040 0.000 1.245 203 H CB 1.337 31.125 29.762 0.042 0.000 1.440 203 H HN 0.102 8.403 8.280 0.214 0.107 0.540 204 M N -4.227 115.462 119.600 0.149 0.000 2.791 204 M HA 0.123 4.662 4.480 0.099 0.000 0.286 204 M C -2.087 174.234 176.300 0.034 0.000 1.238 204 M CA -0.513 54.844 55.300 0.094 0.000 0.762 204 M CB 4.010 36.671 32.600 0.102 0.000 1.758 204 M HN -0.715 7.657 8.290 0.137 0.000 0.447 205 N N -0.731 117.967 118.700 -0.004 0.000 2.319 205 N HA 0.322 5.057 4.740 -0.009 0.000 0.305 205 N C -0.090 175.392 175.510 -0.048 0.000 1.103 205 N CA -0.508 52.529 53.050 -0.022 0.000 0.815 205 N CB 2.775 41.246 38.487 -0.026 0.000 1.288 205 N HN 0.275 8.643 8.380 -0.019 0.000 0.493 206 A N 1.795 124.594 122.820 -0.035 0.000 1.970 206 A HA -0.100 4.193 4.320 -0.046 0.000 0.216 206 A C 0.497 178.049 177.584 -0.053 0.000 1.170 206 A CA 2.080 54.093 52.037 -0.040 0.000 0.645 206 A CB 0.191 19.178 19.000 -0.021 0.000 0.816 206 A HN 0.551 8.687 8.150 -0.023 0.000 0.447 207 D N -1.380 118.991 120.400 -0.048 0.000 2.896 207 D HA 0.057 4.669 4.640 -0.047 0.000 0.240 207 D C -1.404 174.855 176.300 -0.068 0.000 1.193 207 D CA -0.202 53.768 54.000 -0.049 0.000 0.983 207 D CB -0.993 39.786 40.800 -0.035 0.000 1.074 207 D HN 0.055 8.401 8.370 -0.040 0.000 0.496 208 T N 1.599 116.091 114.554 -0.104 0.000 2.829 208 T HA 0.228 4.514 4.350 -0.107 0.000 0.280 208 T C -1.675 172.935 174.700 -0.150 0.000 0.999 208 T CA -1.102 60.912 62.100 -0.143 0.000 0.983 208 T CB 2.498 71.228 68.868 -0.229 0.000 0.968 208 T HN -0.549 7.555 8.240 -0.109 0.071 0.446 209 D N 3.163 123.491 120.400 -0.120 0.000 2.677 209 D HA 0.198 4.776 4.640 -0.102 0.000 0.298 209 D C 0.430 176.710 176.300 -0.034 0.000 1.250 209 D CA -0.614 53.344 54.000 -0.071 0.000 0.888 209 D CB 3.928 44.717 40.800 -0.018 0.000 1.397 209 D HN -0.115 8.191 8.370 -0.106 0.000 0.461 210 Y N -0.991 119.259 120.300 -0.084 0.000 2.224 210 Y HA -0.268 4.283 4.550 0.002 0.000 0.289 210 Y C 1.324 177.272 175.900 0.080 0.000 1.146 210 Y CA 2.929 61.042 58.100 0.022 0.000 1.182 210 Y CB -0.384 38.165 38.460 0.148 0.000 0.983 210 Y HN 0.257 8.772 8.280 0.392 0.000 0.524 211 S N 0.960 116.090 115.700 -0.950 0.000 2.338 211 S HA -0.286 3.826 4.470 -0.598 0.000 0.218 211 S C 1.770 176.218 174.600 -0.253 0.000 1.032 211 S CA 3.447 61.235 58.200 -0.687 0.000 0.999 211 S CB -0.290 62.483 63.200 -0.713 0.000 0.905 211 S HN -0.139 7.479 8.310 -1.153 0.000 0.439 212 I N -2.720 117.736 120.570 -0.191 0.000 2.423 212 I HA -0.328 3.796 4.170 -0.075 0.000 0.254 212 I C 1.346 177.439 176.117 -0.040 0.000 1.151 212 I CA 2.505 63.752 61.300 -0.090 0.000 1.421 212 I CB -0.860 37.095 38.000 -0.074 0.000 1.079 212 I HN -0.233 7.840 8.210 -0.229 0.000 0.431 213 A N -1.547 121.252 122.820 -0.034 0.000 2.072 213 A HA -0.170 4.175 4.320 0.043 0.000 0.216 213 A C 1.473 179.102 177.584 0.074 0.000 1.156 213 A CA 1.961 54.016 52.037 0.031 0.000 0.701 213 A CB -0.688 18.339 19.000 0.045 0.000 0.816 213 A HN -0.082 7.910 8.150 -0.073 0.114 0.458 214 E N -0.695 119.531 120.200 0.044 0.000 2.112 214 E HA -0.277 4.145 4.350 0.120 0.000 0.190 214 E C 1.929 178.600 176.600 0.118 0.000 0.979 214 E CA 2.601 59.055 56.400 0.090 0.000 0.814 214 E CB 0.101 29.840 29.700 0.065 0.000 0.762 214 E HN -0.298 7.880 8.360 -0.020 0.170 0.460 215 A N -0.622 122.234 122.820 0.059 0.000 1.929 215 A HA -0.277 4.078 4.320 0.058 0.000 0.216 215 A C 1.326 178.952 177.584 0.069 0.000 1.176 215 A CA 3.034 55.102 52.037 0.052 0.000 0.628 215 A CB -0.594 18.413 19.000 0.012 0.000 0.816 215 A HN -0.168 7.993 8.150 0.017 0.000 0.444 216 A N -1.771 121.098 122.820 0.082 0.000 1.978 216 A HA -0.265 4.087 4.320 0.054 0.000 0.220 216 A C 1.107 178.774 177.584 0.139 0.000 1.170 216 A CA 2.946 55.038 52.037 0.091 0.000 0.636 216 A CB -0.807 18.249 19.000 0.092 0.000 0.810 216 A HN -0.394 7.798 8.150 0.070 0.000 0.448 217 F N -1.826 118.141 119.950 0.027 0.000 2.270 217 F HA -0.038 4.512 4.527 0.038 0.000 0.295 217 F C 1.397 177.210 175.800 0.021 0.000 1.087 217 F CA 2.529 60.549 58.000 0.033 0.000 1.365 217 F CB 0.649 39.676 39.000 0.045 0.000 1.056 217 F HN -0.590 7.857 8.300 0.289 0.026 0.506 218 N N -0.314 118.421 118.700 0.058 0.000 2.106 218 N HA -0.241 4.444 4.740 -0.091 0.000 0.188 218 N C 1.578 177.038 175.510 -0.083 0.000 1.029 218 N CA 2.931 55.962 53.050 -0.031 0.000 0.848 218 N CB -0.060 38.453 38.487 0.044 0.000 1.007 218 N HN -0.571 7.822 8.380 0.166 0.086 0.423 219 K N -2.226 118.149 120.400 -0.042 0.000 2.147 219 K HA -0.138 4.158 4.320 -0.041 0.000 0.205 219 K C 0.734 177.290 176.600 -0.075 0.000 1.049 219 K CA 1.539 57.800 56.287 -0.044 0.000 0.936 219 K CB 0.549 33.039 32.500 -0.017 0.000 0.722 219 K HN 0.236 8.483 8.250 -0.004 0.000 0.446 220 G N -2.523 106.212 108.800 -0.109 0.000 2.309 220 G HA2 -0.297 3.530 3.960 -0.222 0.000 0.183 220 G HA3 -0.297 3.593 3.960 -0.117 0.000 0.183 220 G C -0.844 174.021 174.900 -0.058 0.000 1.063 220 G CA -0.106 44.916 45.100 -0.130 0.000 0.768 220 G HN -0.612 7.499 8.290 -0.104 0.116 0.490 221 E N -1.258 118.933 120.200 -0.015 0.000 2.101 221 E HA 0.181 4.538 4.350 0.011 0.000 0.194 221 E C 0.111 176.748 176.600 0.062 0.000 0.950 221 E CA 0.309 56.723 56.400 0.024 0.000 0.917 221 E CB 0.961 30.683 29.700 0.036 0.000 0.963 221 E HN 0.432 8.685 8.360 -0.012 0.100 0.476 222 T N 0.214 114.839 114.554 0.118 0.000 2.919 222 T HA -0.053 4.574 4.350 0.131 -0.198 0.302 222 T C 0.639 175.481 174.700 0.236 0.000 1.031 222 T CA -0.123 62.080 62.100 0.171 0.000 1.127 222 T CB 1.202 70.190 68.868 0.200 0.000 0.952 222 T HN -0.615 7.701 8.240 0.127 0.000 0.540 223 A N 8.175 131.120 122.820 0.208 0.000 1.970 223 A HA -0.097 4.358 4.320 0.225 0.000 0.216 223 A C -0.681 177.126 177.584 0.372 0.000 1.170 223 A CA 1.820 54.004 52.037 0.245 0.000 0.645 223 A CB 0.213 19.313 19.000 0.166 0.000 0.816 223 A HN 0.461 8.709 8.150 0.164 0.000 0.447 224 M N -5.109 114.659 119.600 0.279 0.000 2.644 224 M HA 0.555 5.306 4.480 0.261 -0.115 0.304 224 M C -1.828 174.538 176.300 0.110 0.000 1.215 224 M CA -0.454 54.968 55.300 0.202 0.000 0.871 224 M CB 5.220 37.883 32.600 0.104 0.000 1.740 224 M HN -0.592 7.833 8.290 0.226 0.000 0.464 225 T N -0.275 114.252 114.554 -0.045 0.000 2.977 225 T HA 0.316 4.719 4.350 0.089 0.000 0.345 225 T C -2.357 172.311 174.700 -0.053 0.000 1.562 225 T CA -0.413 61.657 62.100 -0.049 0.000 1.090 225 T CB 2.003 70.775 68.868 -0.159 0.000 1.383 225 T HN 0.439 8.631 8.240 -0.079 0.000 0.484 226 I N 5.281 125.910 120.570 0.097 0.000 2.354 226 I HA 0.465 4.800 4.170 0.052 -0.134 0.292 226 I C -1.655 174.555 176.117 0.156 0.000 0.989 226 I CA -0.884 60.499 61.300 0.139 0.000 1.188 226 I CB 1.360 39.526 38.000 0.275 0.000 1.342 226 I HN -0.075 8.245 8.210 0.183 0.000 0.457 227 N N 6.299 125.007 118.700 0.013 0.000 2.647 227 N HA 0.224 4.979 4.740 0.025 0.000 0.266 227 N C -1.367 173.928 175.510 -0.358 0.000 1.373 227 N CA -0.953 52.023 53.050 -0.124 0.000 0.807 227 N CB 4.136 42.506 38.487 -0.194 0.000 1.513 227 N HN -0.298 8.066 8.380 -0.026 0.000 0.505 228 G N -1.033 107.216 108.800 -0.918 0.000 2.508 228 G HA2 0.179 3.841 3.960 -0.497 0.000 0.278 228 G HA3 0.179 3.013 3.960 -1.878 0.000 0.278 228 G C -0.730 173.714 174.900 -0.761 0.000 1.389 228 G CA -1.458 43.016 45.100 -1.044 0.000 1.050 228 G HN 0.207 7.746 8.290 -1.251 0.000 0.522 229 P HA -0.043 4.086 4.420 -0.485 0.000 0.234 229 P C -0.518 176.682 177.300 -0.166 0.000 1.167 229 P CA 0.523 63.441 63.100 -0.302 0.000 0.763 229 P CB 0.345 31.958 31.700 -0.145 0.000 0.835 230 W N -4.548 116.711 121.300 -0.067 0.000 3.221 230 W HA 0.313 4.955 4.660 -0.029 0.000 0.436 230 W C -1.326 175.232 176.519 0.066 0.000 0.913 230 W CA -1.453 55.887 57.345 -0.009 0.000 2.004 230 W CB -1.975 27.486 29.460 0.001 0.000 1.007 230 W HN -0.174 7.757 8.180 -0.298 0.071 0.838 231 A N 0.035 122.801 122.820 -0.089 0.000 2.070 231 A HA 0.306 4.644 4.320 0.030 0.000 0.202 231 A C 0.256 177.954 177.584 0.189 0.000 1.277 231 A CA -0.158 51.886 52.037 0.013 0.000 0.872 231 A CB 0.777 19.734 19.000 -0.072 0.000 0.933 231 A HN -0.208 7.756 8.150 -0.141 0.102 0.475 232 W N -1.490 119.710 121.300 -0.166 0.000 2.374 232 W HA -0.260 4.222 4.660 -0.297 0.000 0.288 232 W C 1.587 178.059 176.519 -0.078 0.000 1.218 232 W CA 1.879 59.099 57.345 -0.207 0.000 1.245 232 W CB -0.778 28.527 29.460 -0.259 0.000 1.126 232 W HN 0.057 8.414 8.180 0.295 0.000 0.545 233 S N -3.797 112.032 115.700 0.215 0.000 2.399 233 S HA -0.313 4.245 4.470 0.146 0.000 0.231 233 S C 1.011 175.691 174.600 0.133 0.000 1.022 233 S CA 3.023 61.319 58.200 0.161 0.000 0.983 233 S CB -0.050 63.251 63.200 0.168 0.000 0.803 233 S HN -0.061 8.356 8.310 0.216 0.022 0.480 234 N N 0.186 118.968 118.700 0.136 0.000 2.043 234 N HA -0.196 4.610 4.740 0.110 0.000 0.193 234 N C 0.158 175.718 175.510 0.083 0.000 1.037 234 N CA 2.131 55.248 53.050 0.112 0.000 0.851 234 N CB 0.657 39.217 38.487 0.122 0.000 1.027 234 N HN -0.666 7.684 8.380 0.155 0.124 0.422 235 I N -4.698 115.915 120.570 0.071 0.000 2.496 235 I HA -0.118 4.081 4.170 0.047 0.000 0.285 235 I C -1.629 174.518 176.117 0.049 0.000 1.080 235 I CA 1.148 62.477 61.300 0.049 0.000 1.404 235 I CB 0.346 38.365 38.000 0.032 0.000 1.403 235 I HN -0.933 7.321 8.210 0.074 0.000 0.539 236 D N 2.651 123.075 120.400 0.041 0.000 1.356 236 D HA 0.042 4.707 4.640 0.042 0.000 0.782 236 D C 0.594 176.911 176.300 0.028 0.000 0.612 236 D CA 1.707 55.731 54.000 0.040 0.000 1.278 236 D CB 1.377 42.206 40.800 0.049 0.000 1.260 236 D HN 0.448 8.839 8.370 0.034 0.000 0.451 237 T N -1.771 112.797 114.554 0.023 0.000 3.033 237 T HA 0.079 4.437 4.350 0.013 0.000 0.248 237 T C 1.063 175.765 174.700 0.005 0.000 1.040 237 T CA 1.675 63.783 62.100 0.014 0.000 1.133 237 T CB 0.206 69.083 68.868 0.015 0.000 0.895 237 T HN 0.201 8.458 8.240 0.028 0.000 0.465 238 S N 1.855 117.557 115.700 0.003 0.000 2.414 238 S HA -0.110 4.352 4.470 -0.014 0.000 0.227 238 S C -0.777 173.812 174.600 -0.018 0.000 1.022 238 S CA 0.544 58.737 58.200 -0.011 0.000 0.958 238 S CB 0.311 63.502 63.200 -0.016 0.000 0.797 238 S HN -0.314 8.002 8.310 0.011 0.000 0.493 239 K N -0.764 119.632 120.400 -0.007 0.000 4.326 239 K HA -0.185 4.138 4.320 0.004 0.000 0.299 239 K C -1.842 174.739 176.600 -0.031 0.000 1.005 239 K CA 0.194 56.474 56.287 -0.012 0.000 0.935 239 K CB -1.553 30.934 32.500 -0.022 0.000 1.551 239 K HN -0.231 8.022 8.250 0.005 0.000 0.438 240 V N -0.002 119.903 119.914 -0.014 0.000 2.370 240 V HA -0.014 4.057 4.120 -0.081 0.000 0.279 240 V C -0.389 175.689 176.094 -0.027 0.000 1.029 240 V CA -2.085 60.189 62.300 -0.044 0.000 0.870 240 V CB 0.696 32.477 31.823 -0.069 0.000 0.984 240 V HN -0.185 8.016 8.190 0.019 0.000 0.451 241 N N 7.595 126.225 118.700 -0.116 0.000 2.423 241 N HA -0.136 4.398 4.740 -0.343 0.000 0.275 241 N C -0.887 174.504 175.510 -0.197 0.000 1.283 241 N CA 0.051 52.964 53.050 -0.228 0.000 0.932 241 N CB 0.011 38.369 38.487 -0.216 0.000 1.185 241 N HN 0.316 8.625 8.380 -0.119 0.000 0.483 242 Y N 2.002 122.177 120.300 -0.208 0.000 2.403 242 Y HA 0.494 4.991 4.550 -0.088 0.000 0.323 242 Y C -1.035 174.678 175.900 -0.311 0.000 1.226 242 Y CA -2.402 55.573 58.100 -0.209 0.000 1.235 242 Y CB 1.898 40.199 38.460 -0.264 0.000 1.248 242 Y HN -0.566 7.227 8.280 -0.811 0.000 0.489 243 G N -1.209 107.461 108.800 -0.217 0.000 2.723 243 G HA2 0.301 4.151 3.960 -0.183 0.000 0.295 243 G HA3 0.301 3.816 3.960 -0.743 0.000 0.295 243 G C -2.570 172.378 174.900 0.081 0.000 1.464 243 G CA -0.427 44.505 45.100 -0.281 0.000 1.012 243 G HN -0.176 8.029 8.290 -0.141 0.000 0.522 244 V N 6.345 126.379 119.914 0.200 0.000 2.406 244 V HA 0.356 4.785 4.120 0.241 -0.164 0.272 244 V C -0.380 175.842 176.094 0.212 0.000 1.043 244 V CA -0.770 61.677 62.300 0.245 0.000 0.915 244 V CB 0.729 32.730 31.823 0.296 0.000 0.988 244 V HN 0.367 8.654 8.190 0.163 0.000 0.466 245 T N 8.634 123.298 114.554 0.183 0.000 2.952 245 T HA 0.346 4.751 4.350 0.093 0.000 0.305 245 T C -1.172 173.551 174.700 0.039 0.000 1.064 245 T CA -0.947 61.215 62.100 0.103 0.000 1.008 245 T CB 3.262 72.178 68.868 0.080 0.000 1.078 245 T HN -0.181 8.167 8.240 0.180 0.000 0.459 246 V N 5.461 125.384 119.914 0.014 0.000 3.061 246 V HA -0.258 4.071 4.120 0.008 -0.204 0.306 246 V C -0.562 175.511 176.094 -0.034 0.000 1.118 246 V CA 0.177 62.474 62.300 -0.004 0.000 1.231 246 V CB 0.904 32.720 31.823 -0.012 0.000 0.956 246 V HN 0.154 8.355 8.190 0.019 0.000 0.499 247 L N 6.022 127.235 121.223 -0.016 0.000 2.525 247 L HA -0.024 4.263 4.340 -0.088 0.000 0.278 247 L C -1.268 175.572 176.870 -0.050 0.000 1.218 247 L CA 0.017 54.844 54.840 -0.022 0.000 0.878 247 L CB -1.267 40.848 42.059 0.094 0.000 1.127 247 L HN 0.170 8.403 8.230 0.004 0.000 0.492 248 P HA 0.135 4.628 4.420 -0.143 -0.159 0.278 248 P C -0.942 176.407 177.300 0.082 0.000 1.268 248 P CA 0.150 63.146 63.100 -0.173 0.000 0.813 248 P CB 0.681 32.070 31.700 -0.518 0.000 1.180 249 T N -4.880 109.746 114.554 0.119 0.000 2.926 249 T HA 0.233 4.733 4.350 0.179 -0.043 0.289 249 T C -1.725 173.128 174.700 0.255 0.000 1.054 249 T CA -1.559 60.638 62.100 0.162 0.000 1.015 249 T CB 3.419 72.318 68.868 0.051 0.000 1.167 249 T HN -0.341 7.927 8.240 0.047 0.000 0.526 250 F N 1.410 121.355 119.950 -0.009 0.000 2.499 250 F HA 0.215 4.697 4.527 -0.075 0.000 0.333 250 F C -0.917 174.831 175.800 -0.088 0.000 1.138 250 F CA -0.546 57.400 58.000 -0.089 0.000 0.945 250 F CB 2.341 41.215 39.000 -0.209 0.000 1.181 250 F HN -0.202 8.211 8.300 0.188 0.000 0.435 251 K N 5.881 126.019 120.400 -0.437 0.000 3.069 251 K HA -0.376 3.757 4.320 -0.312 0.000 0.267 251 K C -0.295 176.233 176.600 -0.120 0.000 1.082 251 K CA 0.541 56.656 56.287 -0.287 0.000 0.782 251 K CB -1.722 30.636 32.500 -0.236 0.000 1.230 251 K HN 0.915 8.793 8.250 -0.619 0.000 0.488 252 G N -5.031 103.716 108.800 -0.088 0.000 2.176 252 G HA2 -0.311 3.624 3.960 -0.042 0.000 0.252 252 G HA3 -0.311 3.618 3.960 -0.051 0.000 0.252 252 G C -1.238 173.647 174.900 -0.026 0.000 1.024 252 G CA 0.250 45.321 45.100 -0.048 0.000 0.755 252 G HN 0.086 8.292 8.290 -0.102 0.022 0.507 253 Q N -1.237 118.560 119.800 -0.005 0.000 2.345 253 Q HA 0.437 4.769 4.340 -0.013 0.000 0.268 253 Q C -2.315 173.690 176.000 0.008 0.000 1.054 253 Q CA -3.382 52.421 55.803 0.001 0.000 0.835 253 Q CB 1.461 30.205 28.738 0.009 0.000 1.339 253 Q HN -0.575 7.557 8.270 0.006 0.142 0.447 254 P HA 0.128 4.542 4.420 -0.010 0.000 0.275 254 P C -0.636 176.643 177.300 -0.034 0.000 1.228 254 P CA -0.296 62.791 63.100 -0.023 0.000 0.786 254 P CB 0.679 32.354 31.700 -0.042 0.000 0.927 255 S N 1.877 117.563 115.700 -0.023 0.000 2.593 255 S HA -0.128 4.304 4.470 -0.064 0.000 0.269 255 S C 0.460 174.998 174.600 -0.104 0.000 1.334 255 S CA -0.078 58.096 58.200 -0.044 0.000 1.015 255 S CB 0.878 64.091 63.200 0.021 0.000 0.912 255 S HN 0.215 8.520 8.310 -0.008 0.000 0.541 256 K N 0.927 121.224 120.400 -0.171 0.000 3.205 256 K HA 0.341 4.558 4.320 -0.173 0.000 0.202 256 K C -2.294 174.170 176.600 -0.227 0.000 1.160 256 K CA -3.386 52.768 56.287 -0.221 0.000 0.995 256 K CB 0.063 32.369 32.500 -0.324 0.000 1.041 256 K HN 0.391 8.524 8.250 -0.194 0.000 0.507 257 P HA 0.086 4.479 4.420 -0.046 0.000 0.274 257 P C -0.829 176.404 177.300 -0.111 0.000 1.237 257 P CA -0.612 62.443 63.100 -0.074 0.000 0.793 257 P CB 0.912 32.615 31.700 0.004 0.000 0.977 258 F N -0.797 119.169 119.950 0.026 0.000 2.435 258 F HA 0.424 5.143 4.527 0.037 -0.170 0.316 258 F C 0.880 176.734 175.800 0.092 0.000 1.220 258 F CA 1.068 59.088 58.000 0.034 0.000 1.241 258 F CB 1.055 40.055 39.000 -0.000 0.000 1.234 258 F HN 0.210 8.632 8.300 0.203 0.000 0.569 259 V N -0.497 119.649 119.914 0.387 0.000 2.495 259 V HA 0.165 4.417 4.120 0.220 0.000 0.298 259 V C -1.242 175.086 176.094 0.391 0.000 1.031 259 V CA -1.098 61.387 62.300 0.308 0.000 0.871 259 V CB 1.557 33.526 31.823 0.242 0.000 0.988 259 V HN -0.187 8.303 8.190 0.499 0.000 0.432 260 G N 6.934 115.900 108.800 0.277 0.000 2.938 260 G HA2 0.301 4.396 3.960 0.224 0.000 0.308 260 G HA3 0.301 4.360 3.960 0.164 0.000 0.308 260 G C -2.685 172.346 174.900 0.218 0.000 1.422 260 G CA -0.632 44.604 45.100 0.226 0.000 1.071 260 G HN 0.027 8.447 8.290 0.218 0.000 0.530 261 V N 5.822 125.927 119.914 0.319 0.000 2.837 261 V HA 0.385 4.696 4.120 0.192 -0.075 0.310 261 V C -2.276 173.960 176.094 0.237 0.000 1.059 261 V CA -2.725 59.731 62.300 0.259 0.000 1.004 261 V CB 3.308 35.294 31.823 0.272 0.000 1.045 261 V HN 0.195 8.686 8.190 0.502 0.000 0.465 262 L N 6.577 127.926 121.223 0.209 0.000 2.353 262 L HA 0.521 5.173 4.340 0.290 -0.138 0.270 262 L C -2.030 175.034 176.870 0.323 0.000 1.003 262 L CA -1.164 53.833 54.840 0.262 0.000 0.862 262 L CB 2.317 44.492 42.059 0.192 0.000 1.221 262 L HN 1.086 9.318 8.230 0.173 0.102 0.430 263 S N 6.390 122.351 115.700 0.435 0.000 2.747 263 S HA 0.401 4.950 4.470 0.132 0.000 0.300 263 S C -1.773 172.926 174.600 0.166 0.000 1.121 263 S CA -1.696 56.615 58.200 0.185 0.000 0.995 263 S CB 2.988 66.044 63.200 -0.241 0.000 1.113 263 S HN -0.357 8.346 8.310 0.654 0.000 0.547 264 A N -1.336 121.302 122.820 -0.304 0.000 2.312 264 A HA 0.615 4.427 4.320 -1.065 -0.131 0.326 264 A C -1.208 176.086 177.584 -0.483 0.000 1.172 264 A CA -1.604 50.069 52.037 -0.607 0.000 0.821 264 A CB 2.235 20.998 19.000 -0.395 0.000 1.166 264 A HN -0.183 7.731 8.150 -0.394 0.000 0.493 265 G N -0.346 108.362 108.800 -0.152 0.000 2.453 265 G HA2 0.626 4.532 3.960 -0.090 0.000 0.323 265 G HA3 0.626 4.832 3.960 0.410 0.000 0.323 265 G C -2.272 172.644 174.900 0.026 0.000 1.198 265 G CA -1.534 43.612 45.100 0.078 0.000 0.959 265 G HN 0.688 8.694 8.290 -0.309 0.098 0.482 266 I N -0.052 120.551 120.570 0.055 0.000 2.686 266 I HA 0.266 4.614 4.170 0.062 -0.141 0.295 266 I C -1.445 174.705 176.117 0.055 0.000 1.114 266 I CA -1.460 59.877 61.300 0.061 0.000 1.038 266 I CB 4.155 42.197 38.000 0.070 0.000 1.238 266 I HN 0.036 8.277 8.210 0.052 0.000 0.420 267 N N 5.144 123.853 118.700 0.014 0.000 2.513 267 N HA 0.087 4.808 4.740 -0.032 0.000 0.274 267 N C -0.005 175.490 175.510 -0.026 0.000 1.189 267 N CA 0.249 53.276 53.050 -0.038 0.000 0.975 267 N CB 2.016 40.433 38.487 -0.117 0.000 1.157 267 N HN -0.315 8.070 8.380 0.007 0.000 0.465 268 A N 1.772 124.571 122.820 -0.035 0.000 2.072 268 A HA -0.027 4.287 4.320 -0.010 0.000 0.216 268 A C 0.785 178.348 177.584 -0.035 0.000 1.156 268 A CA 1.829 53.851 52.037 -0.024 0.000 0.701 268 A CB -0.188 18.800 19.000 -0.021 0.000 0.816 268 A HN 0.330 8.450 8.150 -0.050 0.000 0.458 269 A N -0.164 122.622 122.820 -0.057 0.000 1.844 269 A HA -0.299 3.990 4.320 -0.052 0.000 0.214 269 A C -0.669 176.889 177.584 -0.043 0.000 1.217 269 A CA 2.379 54.381 52.037 -0.058 0.000 0.644 269 A CB -0.151 18.799 19.000 -0.084 0.000 0.850 269 A HN 0.297 8.372 8.150 -0.075 0.030 0.456 270 S N -4.573 111.100 115.700 -0.045 0.000 2.927 270 S HA 0.166 4.625 4.470 -0.019 0.000 0.136 270 S C -2.480 172.102 174.600 -0.031 0.000 0.831 270 S CA -0.884 57.299 58.200 -0.029 0.000 0.882 270 S CB 0.641 63.825 63.200 -0.026 0.000 1.612 270 S HN 0.107 8.380 8.310 -0.061 0.000 0.579 271 P HA 0.065 4.581 4.420 -0.046 -0.123 0.209 271 P C -1.995 175.304 177.300 -0.003 0.000 1.201 271 P CA 0.368 63.450 63.100 -0.029 0.000 0.911 271 P CB 0.981 32.664 31.700 -0.029 0.000 0.758 272 N N -4.397 114.314 118.700 0.019 0.000 3.804 272 N HA 0.049 4.812 4.740 0.038 0.000 0.127 272 N C -0.585 174.964 175.510 0.064 0.000 1.217 272 N CA 0.509 53.584 53.050 0.042 0.000 1.795 272 N CB 0.817 39.332 38.487 0.047 0.000 1.663 272 N HN 0.331 8.724 8.380 0.021 0.000 0.723 273 K N 1.588 122.021 120.400 0.056 0.000 2.209 273 K HA -0.347 4.021 4.320 0.081 0.000 0.204 273 K C 1.757 178.401 176.600 0.075 0.000 1.048 273 K CA 3.630 59.956 56.287 0.065 0.000 0.940 273 K CB -0.094 32.433 32.500 0.046 0.000 0.729 273 K HN 0.411 8.685 8.250 0.041 0.000 0.451 274 E N -0.474 119.772 120.200 0.077 0.000 2.051 274 E HA -0.219 4.179 4.350 0.080 0.000 0.189 274 E C 2.375 179.062 176.600 0.145 0.000 0.979 274 E CA 2.713 59.168 56.400 0.092 0.000 0.803 274 E CB -0.197 29.549 29.700 0.077 0.000 0.761 274 E HN -0.057 8.313 8.360 0.066 0.029 0.451 275 L N -0.611 120.711 121.223 0.165 0.000 2.095 275 L HA -0.189 4.359 4.340 0.347 0.000 0.204 275 L C 2.085 179.100 176.870 0.241 0.000 1.080 275 L CA 2.585 57.581 54.840 0.260 0.000 0.759 275 L CB 0.011 42.220 42.059 0.251 0.000 0.914 275 L HN -0.655 7.837 8.230 0.128 -0.185 0.439 276 A N -1.001 121.916 122.820 0.162 0.000 1.865 276 A HA -0.389 4.023 4.320 0.153 0.000 0.217 276 A C 1.522 179.228 177.584 0.203 0.000 1.191 276 A CA 3.589 55.726 52.037 0.167 0.000 0.623 276 A CB -1.097 17.985 19.000 0.137 0.000 0.826 276 A HN 0.771 8.884 8.150 0.131 0.115 0.444 277 K N -2.242 118.245 120.400 0.145 0.000 2.152 277 K HA -0.329 3.995 4.320 0.007 0.000 0.206 277 K C 2.217 178.893 176.600 0.126 0.000 1.048 277 K CA 3.252 59.583 56.287 0.074 0.000 0.933 277 K CB -0.125 32.386 32.500 0.019 0.000 0.721 277 K HN -0.450 7.879 8.250 0.131 0.000 0.447 278 E N -0.678 119.639 120.200 0.195 0.000 2.122 278 E HA -0.235 4.229 4.350 0.189 0.000 0.190 278 E C 1.952 178.723 176.600 0.285 0.000 0.977 278 E CA 2.624 59.174 56.400 0.249 0.000 0.820 278 E CB 0.022 29.920 29.700 0.329 0.000 0.770 278 E HN -0.726 7.634 8.360 0.206 0.124 0.462 279 F N 0.567 120.561 119.950 0.074 0.000 2.259 279 F HA -0.223 4.248 4.527 -0.093 0.000 0.298 279 F C 0.941 176.759 175.800 0.031 0.000 1.088 279 F CA 3.460 61.385 58.000 -0.124 0.000 1.358 279 F CB 0.531 39.254 39.000 -0.461 0.000 1.040 279 F HN 0.309 8.618 8.300 0.340 0.194 0.505 280 L N -5.229 116.149 121.223 0.258 0.000 2.341 280 L HA -0.298 4.176 4.340 0.223 0.000 0.214 280 L C 1.616 178.516 176.870 0.050 0.000 1.115 280 L CA 2.103 57.066 54.840 0.206 0.000 0.820 280 L CB -0.362 41.878 42.059 0.301 0.000 0.944 280 L HN 0.300 8.602 8.230 0.294 0.104 0.452 281 E N 0.209 120.438 120.200 0.047 0.000 2.099 281 E HA -0.142 4.153 4.350 -0.091 0.000 0.191 281 E C 0.858 177.392 176.600 -0.110 0.000 0.962 281 E CA 2.040 58.436 56.400 -0.008 0.000 0.826 281 E CB 0.704 30.478 29.700 0.123 0.000 0.788 281 E HN -0.387 7.891 8.360 0.099 0.141 0.461 282 N N -3.522 115.113 118.700 -0.109 0.000 2.328 282 N HA 0.067 4.636 4.740 -0.285 0.000 0.247 282 N C -0.777 174.358 175.510 -0.625 0.000 1.165 282 N CA -0.115 52.759 53.050 -0.294 0.000 0.873 282 N CB 0.642 38.988 38.487 -0.236 0.000 1.125 282 N HN -0.208 8.060 8.380 -0.008 0.107 0.513 283 Y N -5.222 114.870 120.300 -0.347 0.000 3.099 283 Y HA 0.125 4.421 4.550 -0.423 0.000 0.238 283 Y C -1.429 174.057 175.900 -0.690 0.000 1.028 283 Y CA -0.544 57.183 58.100 -0.622 0.000 1.187 283 Y CB 0.285 38.076 38.460 -1.115 0.000 1.255 283 Y HN -0.839 7.220 8.280 -0.248 0.072 0.666 284 L N -2.448 118.611 121.223 -0.274 0.000 1.967 284 L HA 0.099 4.344 4.340 -0.159 0.000 0.222 284 L C -1.765 175.007 176.870 -0.164 0.000 1.189 284 L CA 1.625 56.369 54.840 -0.159 0.000 1.303 284 L CB 2.011 44.076 42.059 0.009 0.000 2.607 284 L HN -0.363 7.712 8.230 -0.258 0.000 0.524 285 L N 0.266 121.378 121.223 -0.184 0.000 2.851 285 L HA 0.091 4.299 4.340 -0.219 0.000 0.237 285 L C -1.400 175.308 176.870 -0.270 0.000 1.257 285 L CA 0.208 54.910 54.840 -0.229 0.000 1.061 285 L CB 0.058 41.955 42.059 -0.270 0.000 1.372 285 L HN -0.808 7.316 8.230 -0.177 0.000 0.493 286 T N -7.373 107.004 114.554 -0.295 0.000 2.883 286 T HA 0.137 4.354 4.350 -0.221 0.000 0.296 286 T C -0.860 173.658 174.700 -0.304 0.000 1.117 286 T CA -2.622 59.321 62.100 -0.262 0.000 1.006 286 T CB 2.969 71.703 68.868 -0.223 0.000 1.191 286 T HN -0.915 7.048 8.240 -0.295 0.100 0.508 287 D N 0.433 120.745 120.400 -0.146 0.000 2.221 287 D HA -0.336 4.315 4.640 0.018 0.000 0.204 287 D C 1.972 178.252 176.300 -0.034 0.000 0.982 287 D CA 4.313 58.319 54.000 0.010 0.000 0.857 287 D CB -0.119 40.780 40.800 0.165 0.000 0.934 287 D HN 0.469 8.796 8.370 -0.071 0.000 0.475 288 E N -2.395 117.753 120.200 -0.086 0.000 2.072 288 E HA -0.248 4.091 4.350 -0.018 0.000 0.191 288 E C 1.713 178.275 176.600 -0.064 0.000 0.985 288 E CA 2.377 58.737 56.400 -0.066 0.000 0.801 288 E CB -0.314 29.316 29.700 -0.116 0.000 0.750 288 E HN 0.235 8.492 8.360 -0.118 0.033 0.452 289 G N -2.053 106.665 108.800 -0.136 0.000 2.486 289 G HA2 -0.004 3.916 3.960 -0.066 0.000 0.210 289 G HA3 -0.004 3.852 3.960 -0.174 0.000 0.210 289 G C 0.695 175.509 174.900 -0.144 0.000 1.168 289 G CA 0.837 45.859 45.100 -0.128 0.000 0.820 289 G HN -0.759 7.328 8.290 -0.191 0.088 0.544 290 L N 1.402 122.464 121.223 -0.268 0.000 1.989 290 L HA -0.418 3.776 4.340 -0.243 0.000 0.211 290 L C 1.952 178.758 176.870 -0.107 0.000 1.071 290 L CA 3.802 58.433 54.840 -0.349 0.000 0.749 290 L CB 0.067 41.507 42.059 -1.032 0.000 0.890 290 L HN 0.856 8.780 8.230 -0.331 0.107 0.431 291 E N -1.082 119.120 120.200 0.003 0.000 2.160 291 E HA -0.427 4.083 4.350 0.266 0.000 0.195 291 E C 1.964 178.605 176.600 0.070 0.000 0.991 291 E CA 3.197 59.690 56.400 0.156 0.000 0.810 291 E CB -0.255 29.549 29.700 0.174 0.000 0.742 291 E HN -0.583 7.621 8.360 -0.088 0.103 0.466 292 A N -1.929 120.905 122.820 0.022 0.000 1.898 292 A HA -0.263 4.075 4.320 0.030 0.000 0.216 292 A C 2.157 179.743 177.584 0.004 0.000 1.181 292 A CA 2.935 54.983 52.037 0.018 0.000 0.620 292 A CB -0.394 18.616 19.000 0.016 0.000 0.819 292 A HN -0.331 7.698 8.150 -0.005 0.118 0.442 293 V N -2.253 117.652 119.914 -0.015 0.000 2.649 293 V HA -0.511 3.581 4.120 -0.047 0.000 0.248 293 V C 1.667 177.750 176.094 -0.019 0.000 1.054 293 V CA 3.801 66.079 62.300 -0.036 0.000 1.073 293 V CB -0.080 31.708 31.823 -0.059 0.000 0.699 293 V HN -0.192 7.900 8.190 -0.026 0.082 0.463 294 N N -0.638 118.077 118.700 0.026 0.000 2.244 294 N HA -0.236 4.667 4.740 0.046 -0.136 0.183 294 N C 0.999 176.549 175.510 0.067 0.000 1.016 294 N CA 2.492 55.583 53.050 0.067 0.000 0.866 294 N CB 0.347 38.925 38.487 0.153 0.000 0.980 294 N HN 0.321 8.537 8.380 0.032 0.183 0.430 295 K N -2.299 118.133 120.400 0.054 0.000 2.147 295 K HA -0.236 4.124 4.320 0.066 0.000 0.205 295 K C 0.796 177.412 176.600 0.027 0.000 1.049 295 K CA 2.174 58.490 56.287 0.048 0.000 0.936 295 K CB -0.092 32.431 32.500 0.040 0.000 0.722 295 K HN -0.436 7.822 8.250 0.049 0.021 0.446 296 D N -3.688 116.707 120.400 -0.008 0.000 2.323 296 D HA 0.083 4.705 4.640 -0.029 0.000 0.218 296 D C -0.182 176.080 176.300 -0.062 0.000 0.973 296 D CA 1.728 55.698 54.000 -0.050 0.000 0.890 296 D CB 1.710 42.444 40.800 -0.108 0.000 1.011 296 D HN -0.697 7.551 8.370 -0.013 0.114 0.499 297 K N -1.697 118.668 120.400 -0.059 0.000 2.756 297 K HA 0.481 4.792 4.320 -0.015 0.000 0.218 297 K C -2.988 173.596 176.600 -0.027 0.000 1.057 297 K CA -3.271 52.983 56.287 -0.054 0.000 1.056 297 K CB 1.336 33.759 32.500 -0.129 0.000 1.235 297 K HN 0.115 8.220 8.250 -0.051 0.114 0.547 298 P HA 0.103 4.767 4.420 0.039 -0.221 0.271 298 P C -0.493 176.726 177.300 -0.134 0.000 1.380 298 P CA -0.319 62.792 63.100 0.018 0.000 0.992 298 P CB -0.618 31.175 31.700 0.155 0.000 1.230 299 L N 1.645 122.802 121.223 -0.110 0.000 2.261 299 L HA -0.282 3.940 4.340 -0.196 0.000 0.216 299 L C 0.996 177.727 176.870 -0.232 0.000 1.114 299 L CA 1.502 56.247 54.840 -0.158 0.000 0.777 299 L CB 0.050 42.064 42.059 -0.076 0.000 0.910 299 L HN -0.105 8.093 8.230 -0.052 0.000 0.440 300 G N -2.787 105.905 108.800 -0.179 0.000 2.893 300 G HA2 -0.295 3.561 3.960 -0.174 0.000 0.222 300 G HA3 -0.295 3.510 3.960 -0.258 0.000 0.222 300 G C -1.275 173.617 174.900 -0.012 0.000 1.345 300 G CA -0.770 44.228 45.100 -0.170 0.000 1.129 300 G HN -0.802 7.390 8.290 -0.092 0.043 0.560 301 A N 2.124 124.943 122.820 -0.001 0.000 2.287 301 A HA 0.230 4.597 4.320 0.079 0.000 0.273 301 A C -1.255 176.383 177.584 0.089 0.000 1.091 301 A CA -0.263 51.809 52.037 0.059 0.000 0.817 301 A CB 1.653 20.683 19.000 0.051 0.000 1.069 301 A HN -0.001 8.125 8.150 -0.041 0.000 0.492 302 V N -6.051 113.942 119.914 0.133 0.000 3.165 302 V HA 0.638 4.949 4.120 0.103 -0.130 0.309 302 V C -1.243 174.943 176.094 0.153 0.000 1.267 302 V CA -2.817 59.564 62.300 0.135 0.000 1.067 302 V CB 2.928 34.848 31.823 0.162 0.000 1.082 302 V HN -0.055 8.221 8.190 0.144 0.000 0.451 303 A N -1.237 121.647 122.820 0.107 0.000 1.984 303 A HA 0.138 4.579 4.320 0.201 0.000 0.214 303 A C 0.536 178.207 177.584 0.145 0.000 1.173 303 A CA 0.874 52.980 52.037 0.115 0.000 0.673 303 A CB 0.875 19.842 19.000 -0.056 0.000 0.830 303 A HN 0.738 8.809 8.150 0.064 0.118 0.453 304 L N -0.847 120.413 121.223 0.062 0.000 2.584 304 L HA -0.265 4.181 4.340 -0.073 -0.149 0.272 304 L C 0.333 177.260 176.870 0.095 0.000 1.195 304 L CA 0.764 55.614 54.840 0.017 0.000 0.920 304 L CB 0.264 42.323 42.059 0.001 0.000 1.173 304 L HN -0.503 7.755 8.230 0.047 0.000 0.489 305 K N 6.847 127.224 120.400 -0.037 0.000 2.057 305 K HA -0.400 4.002 4.320 0.137 0.000 0.207 305 K C 1.980 178.613 176.600 0.055 0.000 1.049 305 K CA 4.140 60.410 56.287 -0.028 0.000 0.931 305 K CB -0.009 32.343 32.500 -0.246 0.000 0.714 305 K HN 0.539 8.706 8.250 -0.139 0.000 0.440 306 S N -0.996 114.724 115.700 0.034 0.000 2.348 306 S HA -0.294 4.198 4.470 0.036 0.000 0.221 306 S C 1.665 176.333 174.600 0.114 0.000 1.033 306 S CA 3.207 61.442 58.200 0.058 0.000 1.010 306 S CB -0.259 62.966 63.200 0.042 0.000 0.891 306 S HN 0.078 8.386 8.310 -0.004 0.000 0.442 307 Y N 0.968 121.268 120.300 0.000 0.000 2.421 307 Y HA -0.236 4.318 4.550 0.008 0.000 0.292 307 Y C 1.326 177.252 175.900 0.044 0.000 1.136 307 Y CA 2.136 60.244 58.100 0.013 0.000 1.255 307 Y CB -0.423 38.038 38.460 0.001 0.000 0.991 307 Y HN -0.153 8.266 8.280 0.231 0.000 0.552 308 E N -1.500 118.792 120.200 0.153 0.000 2.160 308 E HA -0.425 4.002 4.350 0.128 0.000 0.195 308 E C 2.054 178.681 176.600 0.046 0.000 0.991 308 E CA 3.538 60.015 56.400 0.130 0.000 0.810 308 E CB -0.390 29.454 29.700 0.240 0.000 0.742 308 E HN -0.273 8.054 8.360 0.188 0.146 0.466 309 E N -1.494 118.719 120.200 0.020 0.000 2.021 309 E HA -0.249 4.109 4.350 0.015 0.000 0.189 309 E C 2.089 178.648 176.600 -0.069 0.000 0.980 309 E CA 2.477 58.873 56.400 -0.007 0.000 0.803 309 E CB -0.189 29.514 29.700 0.005 0.000 0.766 309 E HN -0.697 7.661 8.360 0.038 0.025 0.449 310 E N -0.510 119.605 120.200 -0.141 0.000 2.171 310 E HA -0.256 4.016 4.350 -0.131 0.000 0.197 310 E C 2.566 179.024 176.600 -0.237 0.000 0.997 310 E CA 2.399 58.670 56.400 -0.215 0.000 0.810 310 E CB -0.309 29.181 29.700 -0.349 0.000 0.738 310 E HN -0.688 7.596 8.360 -0.127 0.000 0.467 311 L N -3.517 117.548 121.223 -0.263 0.000 2.307 311 L HA -0.003 4.245 4.340 -0.153 0.000 0.211 311 L C 1.199 178.044 176.870 -0.042 0.000 1.099 311 L CA 1.365 56.112 54.840 -0.156 0.000 0.816 311 L CB 0.298 42.281 42.059 -0.126 0.000 0.952 311 L HN -0.287 7.751 8.230 -0.276 0.027 0.455 312 A N -1.706 121.097 122.820 -0.030 0.000 2.209 312 A HA -0.145 4.188 4.320 0.022 0.000 0.212 312 A C 0.514 178.100 177.584 0.002 0.000 1.158 312 A CA 1.239 53.279 52.037 0.006 0.000 0.742 312 A CB -0.594 18.417 19.000 0.018 0.000 0.790 312 A HN -0.585 7.404 8.150 -0.049 0.132 0.472 313 K N -1.942 118.448 120.400 -0.016 0.000 2.173 313 K HA -0.283 4.031 4.320 -0.011 0.000 0.207 313 K C -0.285 176.315 176.600 0.001 0.000 1.046 313 K CA 2.069 58.349 56.287 -0.012 0.000 0.929 313 K CB 0.118 32.604 32.500 -0.024 0.000 0.720 313 K HN -0.386 7.768 8.250 -0.038 0.073 0.453 314 D N -3.362 117.047 120.400 0.014 0.000 2.505 314 D HA 0.362 5.009 4.640 0.011 0.000 0.249 314 D C -1.352 174.973 176.300 0.042 0.000 1.082 314 D CA -2.476 51.538 54.000 0.023 0.000 0.839 314 D CB 2.233 43.050 40.800 0.027 0.000 1.317 314 D HN -0.795 7.556 8.370 0.017 0.030 0.497 315 P HA -0.208 4.238 4.420 0.043 0.000 0.219 315 P C 1.230 178.579 177.300 0.082 0.000 1.146 315 P CA 2.101 65.230 63.100 0.049 0.000 0.808 315 P CB 0.622 32.347 31.700 0.041 0.000 0.779 316 R N -3.759 116.801 120.500 0.100 0.000 2.119 316 R HA -0.252 4.191 4.340 0.172 0.000 0.246 316 R C 1.871 178.302 176.300 0.217 0.000 1.146 316 R CA 2.990 59.196 56.100 0.175 0.000 0.962 316 R CB -0.887 29.531 30.300 0.197 0.000 0.863 316 R HN 0.299 8.576 8.270 0.070 0.036 0.442 317 I N -3.776 116.899 120.570 0.174 0.000 2.703 317 I HA -0.138 4.128 4.170 0.160 0.000 0.259 317 I C 1.184 177.352 176.117 0.084 0.000 1.151 317 I CA 2.233 63.616 61.300 0.138 0.000 1.470 317 I CB 0.391 38.459 38.000 0.113 0.000 1.112 317 I HN -0.518 7.770 8.210 0.143 0.008 0.437 318 A N 0.485 123.346 122.820 0.068 0.000 1.978 318 A HA -0.314 4.027 4.320 0.036 0.000 0.220 318 A C 1.707 179.313 177.584 0.036 0.000 1.170 318 A CA 2.761 54.825 52.037 0.043 0.000 0.636 318 A CB -0.715 18.307 19.000 0.035 0.000 0.810 318 A HN -0.490 7.619 8.150 0.074 0.085 0.448 319 A N -3.022 119.831 122.820 0.055 0.000 1.969 319 A HA -0.236 4.100 4.320 0.027 0.000 0.218 319 A C 1.546 179.151 177.584 0.034 0.000 1.169 319 A CA 2.601 54.666 52.037 0.047 0.000 0.635 319 A CB -0.645 18.400 19.000 0.075 0.000 0.810 319 A HN 0.204 8.375 8.150 0.077 0.025 0.445 320 T N 2.419 117.000 114.554 0.045 0.000 2.674 320 T HA -0.415 3.949 4.350 0.023 0.000 0.265 320 T C 1.868 176.572 174.700 0.007 0.000 1.039 320 T CA 4.288 66.403 62.100 0.025 0.000 1.150 320 T CB -0.266 68.615 68.868 0.020 0.000 0.864 320 T HN -0.557 7.591 8.240 0.065 0.131 0.427 321 M N 0.864 120.466 119.600 0.004 0.000 2.159 321 M HA -0.329 4.144 4.480 -0.013 0.000 0.263 321 M C 1.429 177.680 176.300 -0.081 0.000 1.063 321 M CA 2.552 57.835 55.300 -0.028 0.000 1.110 321 M CB -0.208 32.377 32.600 -0.025 0.000 1.374 321 M HN -0.671 7.630 8.290 0.018 0.000 0.411 322 E N -0.635 119.531 120.200 -0.058 0.000 2.153 322 E HA -0.425 3.861 4.350 -0.106 0.000 0.194 322 E C 2.336 178.888 176.600 -0.079 0.000 0.988 322 E CA 3.458 59.813 56.400 -0.075 0.000 0.811 322 E CB -0.374 29.301 29.700 -0.041 0.000 0.746 322 E HN -0.399 7.932 8.360 -0.027 0.013 0.466 323 N N -0.488 118.183 118.700 -0.048 0.000 2.188 323 N HA -0.284 4.434 4.740 -0.036 0.000 0.184 323 N C 1.928 177.403 175.510 -0.057 0.000 1.018 323 N CA 3.586 56.615 53.050 -0.036 0.000 0.858 323 N CB -0.243 38.243 38.487 -0.003 0.000 0.989 323 N HN -0.403 7.831 8.380 -0.030 0.128 0.426 324 A N -0.830 121.945 122.820 -0.075 0.000 1.930 324 A HA -0.124 4.173 4.320 -0.040 0.000 0.215 324 A C 0.862 178.277 177.584 -0.282 0.000 1.176 324 A CA 2.153 54.129 52.037 -0.101 0.000 0.632 324 A CB -0.324 18.662 19.000 -0.023 0.000 0.819 324 A HN -0.752 7.271 8.150 -0.065 0.088 0.445 325 Q N -2.158 117.428 119.800 -0.355 0.000 2.079 325 Q HA -0.233 3.639 4.340 -0.780 0.000 0.200 325 Q C 2.014 177.838 176.000 -0.294 0.000 0.974 325 Q CA 2.308 57.828 55.803 -0.473 0.000 0.840 325 Q CB 0.259 28.769 28.738 -0.379 0.000 0.898 325 Q HN -0.268 7.845 8.270 -0.263 0.000 0.430 326 K N -2.369 117.917 120.400 -0.190 0.000 2.186 326 K HA -0.003 4.235 4.320 -0.137 0.000 0.202 326 K C 0.904 177.428 176.600 -0.127 0.000 1.052 326 K CA 0.794 56.999 56.287 -0.136 0.000 0.965 326 K CB 0.833 33.275 32.500 -0.096 0.000 0.746 326 K HN -0.309 7.838 8.250 -0.171 0.000 0.457 327 G N -1.885 106.844 108.800 -0.119 0.000 2.479 327 G HA2 0.004 3.898 3.960 -0.110 0.000 0.275 327 G HA3 0.004 4.064 3.960 -0.068 -0.140 0.275 327 G C -0.313 174.523 174.900 -0.107 0.000 1.421 327 G CA -0.412 44.627 45.100 -0.101 0.000 1.059 327 G HN -0.487 7.628 8.290 -0.122 0.102 0.535 328 E N -1.031 119.117 120.200 -0.087 0.000 2.263 328 E HA 0.394 4.706 4.350 -0.062 0.000 0.268 328 E C -1.088 175.536 176.600 0.041 0.000 0.884 328 E CA -1.639 54.727 56.400 -0.056 0.000 0.766 328 E CB 3.682 33.331 29.700 -0.084 0.000 1.196 328 E HN 0.351 8.657 8.360 -0.091 0.000 0.416 329 I N 3.512 124.110 120.570 0.045 0.000 2.529 329 I HA -0.094 4.204 4.170 0.213 0.000 0.284 329 I C -0.147 176.045 176.117 0.125 0.000 1.082 329 I CA 0.458 61.807 61.300 0.081 0.000 1.406 329 I CB 0.674 38.613 38.000 -0.103 0.000 1.405 329 I HN 0.428 8.638 8.210 0.000 0.000 0.548 330 M N 6.625 126.450 119.600 0.374 0.000 2.200 330 M HA 0.157 4.775 4.480 0.229 0.000 0.355 330 M C -2.326 174.054 176.300 0.133 0.000 1.283 330 M CA -1.266 54.234 55.300 0.334 0.000 1.124 330 M CB -1.007 31.873 32.600 0.466 0.000 1.625 330 M HN 0.042 8.698 8.290 0.610 0.000 0.463 331 P HA -0.111 3.958 4.420 -0.585 0.000 0.273 331 P C -0.613 176.602 177.300 -0.141 0.000 1.252 331 P CA -0.336 62.514 63.100 -0.417 0.000 0.809 331 P CB 0.711 32.022 31.700 -0.649 0.000 1.017 332 N N -2.986 115.574 118.700 -0.232 0.000 2.389 332 N HA 0.183 4.875 4.740 -0.081 0.000 0.260 332 N C -1.132 174.102 175.510 -0.460 0.000 1.191 332 N CA -0.344 52.553 53.050 -0.255 0.000 0.885 332 N CB 0.631 38.942 38.487 -0.293 0.000 1.162 332 N HN 0.280 8.477 8.380 -0.305 0.000 0.512 333 I N -5.301 115.091 120.570 -0.297 0.000 2.566 333 I HA 0.537 4.556 4.170 -0.251 0.000 0.303 333 I C -1.082 175.016 176.117 -0.032 0.000 0.983 333 I CA -3.404 57.768 61.300 -0.213 0.000 1.235 333 I CB 1.469 39.313 38.000 -0.259 0.000 1.386 333 I HN -0.572 7.415 8.210 -0.246 0.076 0.494 334 P HA -0.085 4.395 4.420 0.101 0.000 0.221 334 P C 1.188 178.566 177.300 0.131 0.000 1.150 334 P CA 1.987 65.147 63.100 0.099 0.000 0.800 334 P CB -0.034 31.730 31.700 0.106 0.000 0.787 335 Q N -2.341 117.525 119.800 0.111 0.000 2.234 335 Q HA -0.261 4.204 4.340 0.208 0.000 0.206 335 Q C 1.895 178.132 176.000 0.394 0.000 0.980 335 Q CA 2.868 58.800 55.803 0.215 0.000 0.869 335 Q CB -1.290 27.542 28.738 0.156 0.000 0.912 335 Q HN 0.492 8.751 8.270 0.037 0.033 0.436 336 M N -0.978 118.841 119.600 0.365 0.000 2.202 336 M HA -0.319 4.537 4.480 0.627 0.000 0.262 336 M C 2.033 178.648 176.300 0.526 0.000 1.063 336 M CA 2.370 57.961 55.300 0.484 0.000 1.097 336 M CB -0.801 32.029 32.600 0.383 0.000 1.382 336 M HN -0.627 7.748 8.290 0.206 0.038 0.413 337 S N -0.802 115.148 115.700 0.417 0.000 2.359 337 S HA -0.381 4.397 4.470 0.513 0.000 0.224 337 S C 1.704 176.537 174.600 0.388 0.000 1.035 337 S CA 3.657 62.093 58.200 0.395 0.000 1.018 337 S CB -0.275 63.051 63.200 0.209 0.000 0.876 337 S HN -0.302 8.063 8.310 0.311 0.131 0.448 338 A N 0.770 123.778 122.820 0.313 0.000 1.978 338 A HA -0.204 4.248 4.320 0.220 0.000 0.220 338 A C 1.754 179.506 177.584 0.280 0.000 1.170 338 A CA 2.670 54.862 52.037 0.259 0.000 0.636 338 A CB -1.002 18.123 19.000 0.209 0.000 0.810 338 A HN -0.645 7.681 8.150 0.293 0.000 0.448 339 F N -1.259 118.775 119.950 0.140 0.000 2.234 339 F HA -0.225 4.289 4.527 -0.023 0.000 0.299 339 F C 0.888 176.663 175.800 -0.043 0.000 1.087 339 F CA 3.086 61.074 58.000 -0.021 0.000 1.340 339 F CB 0.189 39.083 39.000 -0.177 0.000 1.031 339 F HN -0.604 7.848 8.300 0.463 0.126 0.500 340 W N -2.745 118.589 121.300 0.057 0.000 2.402 340 W HA -0.454 4.100 4.660 -0.177 0.000 0.286 340 W C 1.385 177.840 176.519 -0.107 0.000 1.221 340 W CA 4.071 61.363 57.345 -0.089 0.000 1.257 340 W CB -0.072 29.347 29.460 -0.068 0.000 1.120 340 W HN -0.545 7.768 8.180 0.438 0.130 0.551 341 Y N -1.759 118.601 120.300 0.099 0.000 2.201 341 Y HA -0.360 4.218 4.550 0.046 0.000 0.292 341 Y C 1.095 176.968 175.900 -0.045 0.000 1.119 341 Y CA 2.673 60.793 58.100 0.034 0.000 1.127 341 Y CB 0.162 38.652 38.460 0.050 0.000 1.019 341 Y HN -0.931 7.440 8.280 0.358 0.124 0.514 342 A N -0.437 122.494 122.820 0.185 0.000 1.865 342 A HA -0.433 3.967 4.320 0.134 0.000 0.217 342 A C 1.803 179.329 177.584 -0.096 0.000 1.191 342 A CA 3.482 55.547 52.037 0.047 0.000 0.623 342 A CB -0.768 18.229 19.000 -0.005 0.000 0.826 342 A HN 0.087 8.345 8.150 0.181 0.000 0.444 343 V N -2.676 117.027 119.914 -0.352 0.000 2.469 343 V HA -0.556 3.386 4.120 -0.297 0.000 0.251 343 V C 1.864 177.846 176.094 -0.186 0.000 1.064 343 V CA 3.990 66.043 62.300 -0.412 0.000 1.066 343 V CB -0.514 30.763 31.823 -0.909 0.000 0.667 343 V HN -0.318 7.563 8.190 -0.515 0.000 0.461 344 R N -0.315 120.103 120.500 -0.136 0.000 2.082 344 R HA -0.339 3.972 4.340 -0.048 0.000 0.234 344 R C 2.229 178.504 176.300 -0.041 0.000 1.136 344 R CA 3.914 59.968 56.100 -0.077 0.000 0.935 344 R CB -0.261 29.956 30.300 -0.138 0.000 0.842 344 R HN -0.423 7.633 8.270 -0.146 0.127 0.430 345 T N 0.584 115.130 114.554 -0.013 0.000 2.915 345 T HA -0.280 4.075 4.350 0.009 0.000 0.269 345 T C 1.275 175.986 174.700 0.019 0.000 1.071 345 T CA 4.412 66.525 62.100 0.022 0.000 1.132 345 T CB -0.255 68.664 68.868 0.085 0.000 0.878 345 T HN -0.527 7.717 8.240 0.007 0.000 0.479 346 A N 2.557 125.379 122.820 0.003 0.000 1.841 346 A HA -0.344 3.985 4.320 0.014 0.000 0.216 346 A C 1.611 179.207 177.584 0.020 0.000 1.199 346 A CA 3.393 55.434 52.037 0.006 0.000 0.621 346 A CB -0.919 18.073 19.000 -0.015 0.000 0.835 346 A HN -0.197 7.829 8.150 -0.015 0.116 0.445 347 V N -1.772 118.158 119.914 0.027 0.000 2.343 347 V HA -0.489 3.664 4.120 0.054 0.000 0.247 347 V C 2.119 178.239 176.094 0.043 0.000 1.051 347 V CA 4.468 66.799 62.300 0.051 0.000 1.036 347 V CB -0.578 31.295 31.823 0.083 0.000 0.654 347 V HN -0.582 7.615 8.190 0.012 0.000 0.451 348 I N 0.149 120.738 120.570 0.031 0.000 2.226 348 I HA -0.573 3.614 4.170 0.029 0.000 0.245 348 I C 1.971 178.102 176.117 0.022 0.000 1.100 348 I CA 4.485 65.799 61.300 0.025 0.000 1.374 348 I CB -0.620 37.387 38.000 0.013 0.000 1.057 348 I HN -0.498 7.726 8.210 0.024 0.000 0.413 349 N N -0.203 118.510 118.700 0.022 0.000 2.205 349 N HA -0.318 4.434 4.740 0.021 0.000 0.186 349 N C 1.776 177.298 175.510 0.021 0.000 1.015 349 N CA 3.223 56.287 53.050 0.022 0.000 0.862 349 N CB -0.874 37.627 38.487 0.024 0.000 0.986 349 N HN 0.443 8.713 8.380 0.022 0.124 0.429 350 A N 0.375 123.209 122.820 0.023 0.000 1.855 350 A HA 0.215 4.764 4.320 0.019 -0.218 0.213 350 A C 1.773 179.371 177.584 0.023 0.000 1.195 350 A CA 2.307 54.357 52.037 0.022 0.000 0.610 350 A CB -0.401 18.614 19.000 0.025 0.000 0.837 350 A HN -0.497 7.542 8.150 0.026 0.127 0.444 351 A N -2.014 120.823 122.820 0.028 0.000 1.902 351 A HA -0.276 4.061 4.320 0.028 0.000 0.217 351 A C 2.369 179.965 177.584 0.020 0.000 1.181 351 A CA 2.748 54.801 52.037 0.028 0.000 0.623 351 A CB -0.578 18.442 19.000 0.034 0.000 0.818 351 A HN 0.133 8.303 8.150 0.033 0.000 0.443 352 S N -3.439 112.271 115.700 0.018 0.000 2.453 352 S HA -0.164 4.313 4.470 0.012 0.000 0.231 352 S C 0.551 175.159 174.600 0.013 0.000 1.005 352 S CA 1.836 60.044 58.200 0.013 0.000 0.949 352 S CB 0.303 63.511 63.200 0.013 0.000 0.774 352 S HN 0.082 8.395 8.310 0.020 0.009 0.510 353 G N -0.422 108.387 108.800 0.014 0.000 2.142 353 G HA2 -0.286 3.742 3.960 0.013 0.000 0.225 353 G HA3 -0.286 3.680 3.960 0.011 0.000 0.225 353 G C 0.201 175.109 174.900 0.012 0.000 1.015 353 G CA 0.619 45.726 45.100 0.012 0.000 0.716 353 G HN -0.767 7.371 8.290 0.016 0.161 0.508 354 R N -1.798 118.710 120.500 0.014 0.000 2.140 354 R HA -0.078 4.270 4.340 0.013 0.000 0.213 354 R C 0.375 176.683 176.300 0.014 0.000 1.059 354 R CA 1.093 57.202 56.100 0.014 0.000 1.000 354 R CB 1.282 31.591 30.300 0.016 0.000 0.910 354 R HN 0.425 8.704 8.270 0.015 0.000 0.455 355 Q N -2.433 117.375 119.800 0.015 0.000 2.377 355 Q HA 0.328 4.676 4.340 0.013 0.000 0.279 355 Q C -1.410 174.597 176.000 0.013 0.000 1.049 355 Q CA -1.392 54.419 55.803 0.014 0.000 0.825 355 Q CB 4.439 33.186 28.738 0.016 0.000 1.401 355 Q HN -0.386 7.894 8.270 0.015 0.000 0.404 356 T N -0.183 114.378 114.554 0.011 0.000 2.734 356 T HA -0.075 4.280 4.350 0.009 0.000 0.314 356 T C 0.760 175.466 174.700 0.009 0.000 1.057 356 T CA 0.813 62.918 62.100 0.009 0.000 1.047 356 T CB 0.825 69.697 68.868 0.007 0.000 0.991 356 T HN 0.240 8.487 8.240 0.010 0.000 0.540 357 V N 2.634 122.552 119.914 0.006 0.000 2.295 357 V HA -0.361 3.763 4.120 0.007 0.000 0.246 357 V C 1.129 177.223 176.094 0.001 0.000 1.049 357 V CA 4.104 66.407 62.300 0.004 0.000 1.024 357 V CB 0.021 31.844 31.823 -0.000 0.000 0.648 357 V HN 0.402 8.596 8.190 0.006 0.000 0.447 358 D N -2.170 118.230 120.400 -0.000 0.000 2.178 358 D HA -0.251 4.385 4.640 -0.007 0.000 0.202 358 D C 2.670 178.972 176.300 0.002 0.000 0.974 358 D CA 3.649 57.648 54.000 -0.002 0.000 0.841 358 D CB -0.604 40.195 40.800 -0.002 0.000 0.953 358 D HN 0.240 8.611 8.370 0.001 0.000 0.478 359 E N -0.230 119.973 120.200 0.006 0.000 2.072 359 E HA -0.215 4.140 4.350 0.008 0.000 0.190 359 E C 2.055 178.662 176.600 0.011 0.000 0.982 359 E CA 2.434 58.839 56.400 0.009 0.000 0.803 359 E CB -0.281 29.425 29.700 0.010 0.000 0.755 359 E HN -0.530 7.719 8.360 0.006 0.115 0.453 360 A N -0.507 122.320 122.820 0.012 0.000 1.902 360 A HA -0.189 4.140 4.320 0.016 0.000 0.217 360 A C 2.240 179.832 177.584 0.013 0.000 1.181 360 A CA 3.101 55.147 52.037 0.014 0.000 0.623 360 A CB -0.433 18.577 19.000 0.016 0.000 0.818 360 A HN 0.144 8.300 8.150 0.010 0.000 0.443 361 L N -3.937 117.293 121.223 0.011 0.000 2.179 361 L HA -0.331 4.021 4.340 0.020 0.000 0.208 361 L C 2.306 179.182 176.870 0.011 0.000 1.096 361 L CA 2.725 57.572 54.840 0.011 0.000 0.779 361 L CB -0.500 41.558 42.059 -0.002 0.000 0.922 361 L HN -0.515 7.720 8.230 0.007 0.000 0.443 362 K N 0.415 120.820 120.400 0.008 0.000 2.001 362 K HA -0.363 3.962 4.320 0.008 0.000 0.208 362 K C 2.289 178.899 176.600 0.017 0.000 1.048 362 K CA 4.028 60.322 56.287 0.010 0.000 0.932 362 K CB -0.318 32.187 32.500 0.009 0.000 0.715 362 K HN -0.275 7.889 8.250 0.007 0.090 0.437 363 D N -1.771 118.639 120.400 0.018 0.000 2.097 363 D HA -0.261 4.391 4.640 0.021 0.000 0.195 363 D C 1.902 178.217 176.300 0.025 0.000 0.989 363 D CA 3.693 57.705 54.000 0.021 0.000 0.827 363 D CB 0.113 40.925 40.800 0.020 0.000 0.966 363 D HN -0.172 8.207 8.370 0.015 0.000 0.456 364 A N -1.323 121.511 122.820 0.023 0.000 1.940 364 A HA -0.446 3.888 4.320 0.023 0.000 0.219 364 A C 1.845 179.457 177.584 0.048 0.000 1.176 364 A CA 3.261 55.312 52.037 0.023 0.000 0.631 364 A CB -0.637 18.361 19.000 -0.003 0.000 0.814 364 A HN -0.579 7.583 8.150 0.019 0.000 0.446 365 Q N -2.353 117.474 119.800 0.045 0.000 2.084 365 Q HA -0.308 4.074 4.340 0.070 0.000 0.202 365 Q C 2.407 178.444 176.000 0.061 0.000 0.978 365 Q CA 3.189 59.024 55.803 0.053 0.000 0.844 365 Q CB -0.285 28.471 28.738 0.030 0.000 0.898 365 Q HN -0.240 7.951 8.270 0.033 0.099 0.426 366 T N 0.185 114.768 114.554 0.048 0.000 2.904 366 T HA -0.249 4.132 4.350 0.052 0.000 0.267 366 T C 0.931 175.663 174.700 0.053 0.000 1.059 366 T CA 3.648 65.776 62.100 0.047 0.000 1.137 366 T CB -0.499 68.389 68.868 0.034 0.000 0.879 366 T HN -0.554 7.624 8.240 0.038 0.085 0.467 367 R N -0.521 120.010 120.500 0.051 0.000 2.075 367 R HA -0.232 4.129 4.340 0.035 0.000 0.232 367 R C 2.858 179.209 176.300 0.085 0.000 1.126 367 R CA 3.014 59.144 56.100 0.050 0.000 0.963 367 R CB 0.033 30.355 30.300 0.036 0.000 0.858 367 R HN -0.522 7.659 8.270 0.047 0.117 0.435 368 I N -1.697 118.943 120.570 0.117 0.000 2.163 368 I HA -0.246 4.046 4.170 0.203 0.000 0.240 368 I C 1.649 177.876 176.117 0.185 0.000 1.081 368 I CA 3.378 64.786 61.300 0.180 0.000 1.353 368 I CB 0.424 38.545 38.000 0.202 0.000 1.054 368 I HN -0.013 8.259 8.210 0.103 0.000 0.407 369 T N -1.272 113.372 114.554 0.150 0.000 3.268 369 T HA 0.043 4.495 4.350 0.171 0.000 0.244 369 T C -0.778 173.981 174.700 0.099 0.000 0.915 369 T CA -0.915 61.270 62.100 0.141 0.000 0.935 369 T CB -0.677 68.271 68.868 0.132 0.000 1.110 369 T HN -0.589 7.727 8.240 0.126 0.000 0.573 370 K N 0.000 120.454 120.400 0.090 0.000 2.780 370 K HA 0.000 4.357 4.320 0.056 -0.003 0.191 370 K CA 0.000 56.325 56.287 0.063 0.000 0.838 370 K CB 0.000 32.529 32.500 0.048 0.000 1.064 370 K HN 0.000 8.217 8.250 0.104 0.096 0.543