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 3k8e_1_D DATA FIRST_RESID 3 DATA SEQUENCE FVVIIPARYA STRLPGKPLV DINGKPMIVH VLERARESGA ERIIVATDHE DATA SEQUENCE DVARAVEAAG GEVCMTRXXX XSGTERLAEV VEKCAFSDDT VIVNVQGDEP DATA SEQUENCE MIPATIIRQV ADNLAQRQVG MATLAVPIHN AEEAFNPNAV KVVLDAEGYA DATA SEQUENCE LYFSRATIPW DRDRFAEGXX XVGDNFLRHL GIYGYRAGFI RRYVNWQPSP DATA SEQUENCE LEHIEMLEQL RVLWYGEKIH VAVAQEVPGT GVDTPEDLER VRAEM 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 3 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 3 F C 0.000 175.743 175.800 -0.095 0.000 0.967 3 F CA 0.000 57.954 58.000 -0.077 0.000 1.383 3 F CB 0.000 38.965 39.000 -0.059 0.000 1.145 4 V N 2.185 122.086 119.914 -0.022 0.000 2.680 4 V HA 0.706 4.822 4.120 -0.007 0.000 0.309 4 V C -0.918 175.204 176.094 0.047 0.000 1.052 4 V CA -0.901 61.311 62.300 -0.146 0.000 0.908 4 V CB 1.952 33.550 31.823 -0.375 0.000 1.001 4 V HN 0.750 8.940 8.190 -0.000 0.000 0.431 5 V N 6.012 125.944 119.914 0.029 0.000 2.384 5 V HA 0.506 4.622 4.120 -0.007 0.000 0.287 5 V C -0.231 175.918 176.094 0.092 0.000 1.020 5 V CA -0.367 61.995 62.300 0.103 0.000 0.850 5 V CB 1.578 33.469 31.823 0.113 0.000 0.987 5 V HN 0.630 8.820 8.190 -0.000 0.000 0.436 6 I N 6.097 126.735 120.570 0.115 0.000 2.339 6 I HA 0.473 4.639 4.170 -0.007 0.000 0.290 6 I C -0.478 175.704 176.117 0.109 0.000 0.994 6 I CA -0.373 60.999 61.300 0.120 0.000 1.191 6 I CB 1.673 39.759 38.000 0.142 0.000 1.343 6 I HN 0.441 8.651 8.210 -0.000 0.000 0.458 7 I N 8.515 129.141 120.570 0.094 0.000 2.337 7 I HA 0.255 4.421 4.170 -0.007 0.000 0.285 7 I C -2.196 173.971 176.117 0.083 0.000 1.041 7 I CA -1.798 59.552 61.300 0.084 0.000 1.199 7 I CB 1.036 39.079 38.000 0.071 0.000 1.370 7 I HN 0.281 8.491 8.210 -0.000 0.000 0.470 8 P HA 0.155 4.575 4.420 -0.000 0.000 0.268 8 P C -0.136 177.214 177.300 0.083 0.000 1.541 8 P CA -0.196 62.955 63.100 0.084 0.000 1.093 8 P CB 0.574 32.324 31.700 0.084 0.000 1.551 9 A N 5.047 127.920 122.820 0.087 0.000 2.476 9 A HA 0.145 4.461 4.320 -0.007 0.000 0.275 9 A C 0.754 178.405 177.584 0.112 0.000 1.133 9 A CA -0.350 51.741 52.037 0.091 0.000 0.797 9 A CB -0.192 18.868 19.000 0.100 0.000 1.081 9 A HN 0.523 8.673 8.150 -0.000 0.000 0.510 10 R N 3.443 123.999 120.500 0.092 0.000 2.254 10 R HA 0.239 4.575 4.340 -0.007 0.000 0.318 10 R C -0.523 175.839 176.300 0.102 0.000 1.031 10 R CA -0.255 55.908 56.100 0.106 0.000 0.905 10 R CB 0.369 30.714 30.300 0.075 0.000 1.050 10 R HN 0.791 9.061 8.270 -0.000 0.000 0.456 11 Y N 3.659 123.946 120.300 -0.022 0.000 2.301 11 Y HA 0.285 4.832 4.550 -0.006 0.000 0.295 11 Y C 0.709 176.549 175.900 -0.101 0.000 1.126 11 Y CA 1.089 59.105 58.100 -0.141 0.000 1.154 11 Y CB 0.242 38.431 38.460 -0.452 0.000 1.075 11 Y HN 0.784 9.064 8.280 -0.000 0.000 0.534 12 A N 0.435 123.366 122.820 0.185 0.000 2.386 12 A HA 0.483 4.799 4.320 -0.007 0.000 0.248 12 A C -0.190 177.407 177.584 0.022 0.000 1.082 12 A CA 0.639 52.742 52.037 0.110 0.000 0.789 12 A CB -0.065 19.026 19.000 0.152 0.000 1.025 12 A HN 0.390 8.540 8.150 -0.000 0.000 0.490 13 S N 0.570 116.268 115.700 -0.003 0.000 2.674 13 S HA 0.364 4.830 4.470 -0.007 0.000 0.321 13 S C -0.334 174.252 174.600 -0.022 0.000 0.934 13 S CA -0.147 58.041 58.200 -0.019 0.000 0.827 13 S CB -0.186 62.985 63.200 -0.049 0.000 1.041 13 S HN 1.164 9.474 8.310 -0.000 0.000 0.470 14 T N 4.792 119.340 114.554 -0.010 0.000 2.802 14 T HA 0.451 4.797 4.350 -0.007 0.000 0.305 14 T C 1.377 176.064 174.700 -0.021 0.000 1.053 14 T CA 0.109 62.202 62.100 -0.011 0.000 1.058 14 T CB 0.539 69.405 68.868 -0.004 0.000 0.988 14 T HN 1.286 9.526 8.240 -0.000 0.000 0.539 15 R N -0.650 119.837 120.500 -0.021 0.000 1.706 15 R HA -0.231 4.105 4.340 -0.007 0.000 0.091 15 R C -0.166 176.111 176.300 -0.039 0.000 0.932 15 R CA 1.387 57.472 56.100 -0.026 0.000 1.944 15 R CB -1.794 28.493 30.300 -0.021 0.000 0.506 15 R HN 0.484 8.754 8.270 -0.000 0.000 0.707 16 L N 2.280 123.471 121.223 -0.052 0.000 2.435 16 L HA 0.367 4.703 4.340 -0.007 0.000 0.253 16 L C -1.750 175.049 176.870 -0.118 0.000 1.087 16 L CA -2.315 52.479 54.840 -0.076 0.000 0.950 16 L CB 1.656 43.670 42.059 -0.075 0.000 1.304 16 L HN 0.032 8.262 8.230 -0.000 0.000 0.453 17 P HA -0.222 4.198 4.420 -0.000 0.000 0.205 17 P C 1.073 178.166 177.300 -0.345 0.000 1.046 17 P CA 1.244 64.251 63.100 -0.155 0.000 0.968 17 P CB 0.172 31.814 31.700 -0.097 0.000 0.753 18 G N -0.977 107.598 108.800 -0.376 0.000 3.574 18 G HA2 -0.005 3.951 3.960 -0.007 0.000 0.262 18 G HA3 -0.005 3.951 3.960 -0.007 0.000 0.262 18 G C 1.023 175.602 174.900 -0.534 0.000 1.231 18 G CA -0.157 44.529 45.100 -0.690 0.000 1.608 18 G HN 0.200 8.490 8.290 -0.000 0.000 0.628 19 K N 1.176 121.312 120.400 -0.441 0.000 2.066 19 K HA -0.203 4.113 4.320 -0.007 0.000 0.221 19 K C -0.195 176.313 176.600 -0.153 0.000 1.056 19 K CA 2.274 58.425 56.287 -0.228 0.000 0.950 19 K CB -0.299 32.100 32.500 -0.169 0.000 0.726 19 K HN 0.289 8.539 8.250 -0.000 0.000 0.456 20 P HA -0.129 4.291 4.420 -0.000 0.000 0.220 20 P C 0.717 178.006 177.300 -0.018 0.000 1.148 20 P CA 0.965 64.045 63.100 -0.034 0.000 0.803 20 P CB 0.128 31.845 31.700 0.028 0.000 0.782 21 L N -1.659 119.532 121.223 -0.053 0.000 2.592 21 L HA 0.068 4.404 4.340 -0.007 0.000 0.227 21 L C 0.461 177.317 176.870 -0.023 0.000 1.127 21 L CA -0.072 54.758 54.840 -0.015 0.000 0.884 21 L CB -0.955 41.108 42.059 0.005 0.000 1.065 21 L HN -0.251 7.979 8.230 -0.000 0.000 0.457 22 V N 0.631 120.518 119.914 -0.045 0.000 2.599 22 V HA -0.069 4.047 4.120 -0.007 0.000 0.300 22 V C 0.394 176.489 176.094 0.002 0.000 1.034 22 V CA -0.464 61.816 62.300 -0.034 0.000 1.115 22 V CB 0.649 32.442 31.823 -0.050 0.000 0.934 22 V HN 0.246 8.436 8.190 -0.000 0.000 0.485 23 D N 4.551 124.955 120.400 0.007 0.000 2.383 23 D HA 0.298 4.934 4.640 -0.007 0.000 0.252 23 D C -0.353 175.965 176.300 0.031 0.000 1.166 23 D CA 0.080 54.099 54.000 0.031 0.000 0.879 23 D CB 0.484 41.298 40.800 0.022 0.000 1.164 23 D HN 0.454 8.824 8.370 -0.000 0.000 0.462 24 I N 4.025 124.639 120.570 0.074 0.000 2.464 24 I HA 0.185 4.351 4.170 -0.007 0.000 0.277 24 I C -0.253 175.931 176.117 0.112 0.000 1.040 24 I CA -0.740 60.573 61.300 0.021 0.000 1.153 24 I CB 0.759 38.662 38.000 -0.162 0.000 1.274 24 I HN 0.431 8.641 8.210 -0.000 0.000 0.469 25 N N 5.206 123.941 118.700 0.058 0.000 2.714 25 N HA -0.204 4.532 4.740 -0.007 0.000 0.253 25 N C 0.910 176.476 175.510 0.093 0.000 1.024 25 N CA 1.256 54.346 53.050 0.066 0.000 0.726 25 N CB -0.794 37.725 38.487 0.054 0.000 0.908 25 N HN 1.137 9.517 8.380 -0.000 0.000 0.542 26 G N -1.555 107.290 108.800 0.074 0.000 2.213 26 G HA2 -0.306 3.650 3.960 -0.007 0.000 0.236 26 G HA3 -0.306 3.650 3.960 -0.007 0.000 0.236 26 G C -0.036 174.886 174.900 0.038 0.000 0.991 26 G CA 0.681 45.810 45.100 0.048 0.000 0.629 26 G HN 0.531 8.821 8.290 -0.000 0.000 0.517 27 K N 1.197 121.641 120.400 0.073 0.000 2.385 27 K HA 0.577 4.893 4.320 -0.007 0.000 0.248 27 K C -2.827 173.825 176.600 0.087 0.000 0.955 27 K CA -2.152 54.132 56.287 -0.004 0.000 0.816 27 K CB 3.115 35.468 32.500 -0.244 0.000 1.250 27 K HN 0.007 8.257 8.250 -0.000 0.000 0.434 28 P HA 0.002 4.422 4.420 -0.000 0.000 0.275 28 P C 0.389 177.775 177.300 0.144 0.000 1.227 28 P CA -0.157 62.989 63.100 0.077 0.000 0.781 28 P CB 0.843 32.565 31.700 0.037 0.000 0.906 29 M N 3.099 122.783 119.600 0.141 0.000 2.089 29 M HA -0.245 4.231 4.480 -0.007 0.000 0.257 29 M C 1.723 178.097 176.300 0.125 0.000 1.071 29 M CA 2.115 57.502 55.300 0.144 0.000 1.096 29 M CB -0.578 32.049 32.600 0.045 0.000 1.330 29 M HN 0.255 8.545 8.290 -0.000 0.000 0.403 30 I N -0.135 120.479 120.570 0.074 0.000 2.208 30 I HA -0.232 3.934 4.170 -0.007 0.000 0.245 30 I C 1.957 178.105 176.117 0.051 0.000 1.097 30 I CA 1.351 62.687 61.300 0.060 0.000 1.363 30 I CB -0.277 37.755 38.000 0.053 0.000 1.051 30 I HN 0.153 8.363 8.210 -0.000 0.000 0.413 31 V N 0.656 120.584 119.914 0.024 0.000 2.490 31 V HA -0.296 3.820 4.120 -0.007 0.000 0.250 31 V C 2.489 178.546 176.094 -0.061 0.000 1.061 31 V CA 1.947 64.225 62.300 -0.037 0.000 1.064 31 V CB -1.105 30.663 31.823 -0.093 0.000 0.670 31 V HN 0.499 8.689 8.190 -0.000 0.000 0.461 32 H N -0.402 118.673 119.070 0.008 0.000 2.353 32 H HA -0.094 4.458 4.556 -0.006 0.000 0.300 32 H C 2.381 177.715 175.328 0.009 0.000 1.090 32 H CA 1.938 57.989 56.048 0.006 0.000 1.327 32 H CB -0.142 29.621 29.762 0.002 0.000 1.383 32 H HN 0.339 8.619 8.280 -0.000 0.000 0.508 33 V N 1.230 121.221 119.914 0.128 0.000 2.515 33 V HA -0.208 3.908 4.120 -0.007 0.000 0.250 33 V C 2.670 178.798 176.094 0.057 0.000 1.058 33 V CA 1.071 63.418 62.300 0.078 0.000 1.064 33 V CB -0.668 31.192 31.823 0.063 0.000 0.675 33 V HN 0.152 8.342 8.190 -0.000 0.000 0.461 34 L N 1.300 122.549 121.223 0.043 0.000 2.012 34 L HA -0.164 4.172 4.340 -0.007 0.000 0.210 34 L C 2.747 179.627 176.870 0.018 0.000 1.073 34 L CA 2.797 57.652 54.840 0.025 0.000 0.748 34 L CB -1.047 41.018 42.059 0.009 0.000 0.891 34 L HN 0.455 8.685 8.230 -0.000 0.000 0.431 35 E N -0.146 120.060 120.200 0.010 0.000 2.068 35 E HA -0.326 4.020 4.350 -0.007 0.000 0.207 35 E C 2.184 178.802 176.600 0.030 0.000 1.032 35 E CA 2.184 58.592 56.400 0.013 0.000 0.839 35 E CB -0.903 28.809 29.700 0.021 0.000 0.758 35 E HN 0.474 8.834 8.360 -0.000 0.000 0.457 36 R N 0.001 120.529 120.500 0.046 0.000 2.083 36 R HA 0.029 4.365 4.340 -0.007 0.000 0.237 36 R C 2.745 179.074 176.300 0.048 0.000 1.137 36 R CA 1.598 57.726 56.100 0.046 0.000 0.951 36 R CB -1.373 28.955 30.300 0.047 0.000 0.851 36 R HN 0.561 8.831 8.270 -0.000 0.000 0.434 37 A N 1.449 124.298 122.820 0.050 0.000 1.908 37 A HA -0.209 4.107 4.320 -0.007 0.000 0.218 37 A C 2.330 179.936 177.584 0.036 0.000 1.181 37 A CA 1.753 53.824 52.037 0.058 0.000 0.627 37 A CB -0.453 18.578 19.000 0.052 0.000 0.818 37 A HN 0.278 8.428 8.150 -0.000 0.000 0.445 38 R N -0.463 120.047 120.500 0.016 0.000 2.081 38 R HA -0.135 4.201 4.340 -0.007 0.000 0.235 38 R C 2.070 178.374 176.300 0.006 0.000 1.131 38 R CA 1.660 57.758 56.100 -0.003 0.000 0.960 38 R CB -0.323 29.974 30.300 -0.004 0.000 0.856 38 R HN 0.685 8.955 8.270 -0.000 0.000 0.436 39 E N 0.150 120.364 120.200 0.024 0.000 2.265 39 E HA -0.139 4.207 4.350 -0.007 0.000 0.196 39 E C 1.823 178.455 176.600 0.052 0.000 0.996 39 E CA 1.322 57.741 56.400 0.031 0.000 0.832 39 E CB 0.043 29.762 29.700 0.032 0.000 0.756 39 E HN 0.340 8.700 8.360 -0.000 0.000 0.491 40 S N -0.638 115.110 115.700 0.081 0.000 2.515 40 S HA 0.015 4.481 4.470 -0.007 0.000 0.231 40 S C 1.706 176.430 174.600 0.205 0.000 0.987 40 S CA 0.614 58.911 58.200 0.162 0.000 0.936 40 S CB 0.094 63.442 63.200 0.247 0.000 0.766 40 S HN 0.376 8.686 8.310 -0.000 0.000 0.528 41 G N 0.628 109.466 108.800 0.063 0.000 2.157 41 G HA2 -0.075 3.881 3.960 -0.007 0.000 0.248 41 G HA3 -0.075 3.881 3.960 -0.007 0.000 0.248 41 G C 0.290 175.023 174.900 -0.278 0.000 0.979 41 G CA 0.010 45.098 45.100 -0.019 0.000 0.650 41 G HN 1.344 9.634 8.290 -0.000 0.000 0.529 42 A N 0.450 122.988 122.820 -0.469 0.000 2.555 42 A HA 0.501 4.817 4.320 -0.007 0.000 0.233 42 A C 1.367 178.678 177.584 -0.454 0.000 1.060 42 A CA 1.325 52.835 52.037 -0.879 0.000 0.759 42 A CB 0.194 18.863 19.000 -0.551 0.000 0.995 42 A HN 1.142 9.292 8.150 -0.000 0.000 0.506 43 E N 1.074 121.014 120.200 -0.434 0.000 2.276 43 E HA 0.037 4.383 4.350 -0.007 0.000 0.193 43 E C 0.082 176.612 176.600 -0.117 0.000 0.983 43 E CA 0.192 56.465 56.400 -0.211 0.000 0.861 43 E CB 0.243 29.843 29.700 -0.167 0.000 0.817 43 E HN 0.535 8.895 8.360 -0.000 0.000 0.485 44 R N 0.704 121.132 120.500 -0.120 0.000 2.628 44 R HA 0.513 4.849 4.340 -0.007 0.000 0.288 44 R C -1.061 175.224 176.300 -0.025 0.000 0.980 44 R CA -0.775 55.314 56.100 -0.018 0.000 0.891 44 R CB 1.845 32.202 30.300 0.095 0.000 1.188 44 R HN 0.048 8.318 8.270 -0.000 0.000 0.450 45 I N 3.869 124.445 120.570 0.011 0.000 2.493 45 I HA 0.398 4.564 4.170 -0.007 0.000 0.279 45 I C -0.301 175.847 176.117 0.053 0.000 1.045 45 I CA -0.127 61.189 61.300 0.026 0.000 1.106 45 I CB 1.380 39.387 38.000 0.010 0.000 1.216 45 I HN 0.365 8.575 8.210 -0.000 0.000 0.459 46 I N 6.427 127.044 120.570 0.079 0.000 2.355 46 I HA 0.354 4.520 4.170 -0.007 0.000 0.288 46 I C -0.266 175.898 176.117 0.078 0.000 0.999 46 I CA -0.981 60.370 61.300 0.085 0.000 1.163 46 I CB 1.656 39.729 38.000 0.121 0.000 1.316 46 I HN 0.128 8.338 8.210 -0.000 0.000 0.454 47 V N 5.892 125.844 119.914 0.064 0.000 2.488 47 V HA 0.428 4.544 4.120 -0.007 0.000 0.277 47 V C 0.626 176.759 176.094 0.066 0.000 1.046 47 V CA -0.414 61.925 62.300 0.065 0.000 0.986 47 V CB 1.156 33.014 31.823 0.059 0.000 0.989 47 V HN 0.821 9.011 8.190 -0.000 0.000 0.475 48 A N 4.120 126.983 122.820 0.072 0.000 2.260 48 A HA 0.787 5.103 4.320 -0.007 0.000 0.314 48 A C 0.002 177.632 177.584 0.076 0.000 1.257 48 A CA -0.307 51.770 52.037 0.067 0.000 0.871 48 A CB 1.252 20.293 19.000 0.068 0.000 1.166 48 A HN 0.846 8.996 8.150 -0.000 0.000 0.522 49 T N 0.543 115.138 114.554 0.069 0.000 2.840 49 T HA 0.448 4.794 4.350 -0.007 0.000 0.317 49 T C -1.429 173.300 174.700 0.048 0.000 1.401 49 T CA -0.077 62.080 62.100 0.094 0.000 1.028 49 T CB 1.443 70.387 68.868 0.127 0.000 1.317 49 T HN 0.667 8.907 8.240 -0.000 0.000 0.495 50 D N 1.243 121.660 120.400 0.029 0.000 2.670 50 D HA 0.191 4.827 4.640 -0.007 0.000 0.255 50 D C -0.353 175.762 176.300 -0.308 0.000 1.286 50 D CA -0.173 53.758 54.000 -0.115 0.000 0.830 50 D CB -0.379 40.333 40.800 -0.147 0.000 1.065 50 D HN 0.529 8.899 8.370 -0.000 0.000 0.486 51 H N 0.388 119.396 119.070 -0.103 0.000 2.658 51 H HA 0.235 4.787 4.556 -0.006 0.000 0.337 51 H C 0.794 176.070 175.328 -0.086 0.000 1.009 51 H CA -0.567 55.377 56.048 -0.173 0.000 1.231 51 H CB 2.079 31.631 29.762 -0.350 0.000 1.508 51 H HN -0.247 8.033 8.280 -0.000 0.000 0.517 52 E N 2.164 122.369 120.200 0.008 0.000 2.058 52 E HA -0.187 4.159 4.350 -0.007 0.000 0.194 52 E C 1.508 178.135 176.600 0.044 0.000 0.997 52 E CA 1.522 57.931 56.400 0.015 0.000 0.801 52 E CB -0.013 29.684 29.700 -0.005 0.000 0.746 52 E HN 0.832 9.192 8.360 -0.000 0.000 0.450 53 D N 0.342 120.779 120.400 0.061 0.000 2.158 53 D HA -0.142 4.494 4.640 -0.007 0.000 0.197 53 D C 2.040 178.395 176.300 0.093 0.000 0.995 53 D CA 0.995 55.041 54.000 0.078 0.000 0.846 53 D CB -0.757 40.104 40.800 0.102 0.000 0.941 53 D HN 0.085 8.455 8.370 -0.000 0.000 0.456 54 V N 1.204 121.192 119.914 0.123 0.000 2.307 54 V HA -0.163 3.953 4.120 -0.007 0.000 0.245 54 V C 2.860 179.002 176.094 0.080 0.000 1.045 54 V CA 1.765 64.137 62.300 0.121 0.000 1.024 54 V CB -0.958 30.963 31.823 0.164 0.000 0.651 54 V HN 0.410 8.600 8.190 -0.000 0.000 0.449 55 A N 0.078 122.940 122.820 0.069 0.000 1.908 55 A HA -0.262 4.054 4.320 -0.007 0.000 0.218 55 A C 2.348 179.953 177.584 0.034 0.000 1.181 55 A CA 2.028 54.092 52.037 0.045 0.000 0.627 55 A CB -0.521 18.498 19.000 0.032 0.000 0.818 55 A HN 0.526 8.676 8.150 -0.000 0.000 0.445 56 R N -0.693 119.827 120.500 0.034 0.000 2.115 56 R HA -0.011 4.325 4.340 -0.007 0.000 0.230 56 R C 2.432 178.746 176.300 0.024 0.000 1.111 56 R CA 1.003 57.118 56.100 0.025 0.000 0.976 56 R CB -0.398 29.916 30.300 0.023 0.000 0.870 56 R HN 0.531 8.801 8.270 -0.000 0.000 0.445 57 A N 0.713 123.553 122.820 0.033 0.000 1.873 57 A HA -0.091 4.225 4.320 -0.007 0.000 0.215 57 A C 2.328 179.922 177.584 0.018 0.000 1.186 57 A CA 1.205 53.258 52.037 0.026 0.000 0.616 57 A CB -0.466 18.555 19.000 0.036 0.000 0.823 57 A HN 0.092 8.242 8.150 -0.000 0.000 0.442 58 V N 0.233 120.162 119.914 0.025 0.000 2.343 58 V HA -0.276 3.840 4.120 -0.007 0.000 0.247 58 V C 2.391 178.492 176.094 0.012 0.000 1.051 58 V CA 2.337 64.649 62.300 0.019 0.000 1.036 58 V CB -0.938 30.903 31.823 0.029 0.000 0.654 58 V HN 0.639 8.829 8.190 -0.000 0.000 0.451 59 E N 0.374 120.582 120.200 0.014 0.000 2.106 59 E HA -0.161 4.185 4.350 -0.007 0.000 0.192 59 E C 2.326 178.929 176.600 0.004 0.000 0.984 59 E CA 1.201 57.606 56.400 0.009 0.000 0.806 59 E CB -0.373 29.333 29.700 0.009 0.000 0.750 59 E HN 0.594 8.954 8.360 -0.000 0.000 0.458 60 A N 1.393 124.215 122.820 0.004 0.000 1.978 60 A HA -0.125 4.191 4.320 -0.007 0.000 0.220 60 A C 2.287 179.867 177.584 -0.007 0.000 1.170 60 A CA 1.644 53.681 52.037 -0.000 0.000 0.636 60 A CB -0.475 18.526 19.000 0.001 0.000 0.810 60 A HN 0.280 8.430 8.150 -0.000 0.000 0.448 61 A N -1.944 120.871 122.820 -0.010 0.000 2.238 61 A HA 0.415 4.731 4.320 -0.007 0.000 0.208 61 A C 1.695 179.271 177.584 -0.013 0.000 1.177 61 A CA 1.167 53.193 52.037 -0.018 0.000 0.804 61 A CB -0.896 18.087 19.000 -0.029 0.000 0.823 61 A HN 1.925 10.075 8.150 -0.000 0.000 0.482 62 G N -1.894 106.903 108.800 -0.007 0.000 2.132 62 G HA2 0.014 3.970 3.960 -0.007 0.000 0.228 62 G HA3 0.014 3.970 3.960 -0.007 0.000 0.228 62 G C 0.518 175.418 174.900 -0.001 0.000 1.000 62 G CA 0.136 45.234 45.100 -0.004 0.000 0.693 62 G HN 1.353 9.643 8.290 -0.000 0.000 0.515 63 G N -0.667 108.135 108.800 0.003 0.000 2.389 63 G HA2 0.591 4.547 3.960 -0.007 0.000 0.317 63 G HA3 0.591 4.547 3.960 -0.007 0.000 0.317 63 G C -0.208 174.700 174.900 0.014 0.000 1.137 63 G CA -0.108 44.997 45.100 0.009 0.000 0.870 63 G HN 0.404 8.694 8.290 -0.000 0.000 0.496 64 E N 0.140 120.352 120.200 0.019 0.000 2.338 64 E HA 0.396 4.742 4.350 -0.007 0.000 0.272 64 E C -0.668 175.950 176.600 0.029 0.000 1.029 64 E CA -0.293 56.120 56.400 0.023 0.000 0.872 64 E CB 1.120 30.838 29.700 0.030 0.000 1.015 64 E HN 0.132 8.492 8.360 -0.000 0.000 0.417 65 V N 3.943 123.872 119.914 0.024 0.000 2.735 65 V HA 0.299 4.415 4.120 -0.007 0.000 0.310 65 V C -0.784 175.322 176.094 0.020 0.000 1.061 65 V CA -0.920 61.396 62.300 0.027 0.000 0.913 65 V CB 1.835 33.673 31.823 0.025 0.000 1.005 65 V HN 0.844 9.034 8.190 -0.000 0.000 0.428 66 C N 6.983 126.298 119.300 0.024 0.000 2.346 66 C HA 0.620 5.076 4.460 -0.007 0.000 0.326 66 C C -0.192 174.805 174.990 0.011 0.000 1.224 66 C CA -0.844 58.181 59.018 0.012 0.000 1.408 66 C CB 0.377 28.127 27.740 0.016 0.000 2.089 66 C HN 0.829 9.059 8.230 -0.000 0.000 0.456 67 M N 5.522 125.121 119.600 -0.002 0.000 2.188 67 M HA 0.291 4.767 4.480 -0.007 0.000 0.354 67 M C 0.717 177.010 176.300 -0.013 0.000 1.342 67 M CA 0.496 55.791 55.300 -0.008 0.000 1.117 67 M CB 0.867 33.455 32.600 -0.020 0.000 1.670 67 M HN 0.852 9.142 8.290 -0.000 0.000 0.466 68 T N 0.119 114.666 114.554 -0.011 0.000 2.940 68 T HA 0.879 5.225 4.350 -0.007 0.000 0.288 68 T C 0.337 175.022 174.700 -0.026 0.000 1.033 68 T CA -0.936 61.158 62.100 -0.010 0.000 1.033 68 T CB 1.442 70.315 68.868 0.008 0.000 1.079 68 T HN 0.793 9.033 8.240 -0.000 0.000 0.496 75 G N 1.045 109.872 108.800 0.045 0.000 3.377 75 G HA2 -0.342 3.614 3.960 -0.007 0.000 0.304 75 G HA3 -0.342 3.614 3.960 -0.007 0.000 0.304 75 G C 1.396 176.312 174.900 0.028 0.000 1.366 75 G CA 1.277 46.405 45.100 0.047 0.000 1.020 75 G HN 1.061 9.351 8.290 -0.000 0.000 0.621 76 T N 1.515 116.071 114.554 0.002 0.000 2.759 76 T HA -0.006 4.340 4.350 -0.007 0.000 0.269 76 T C 2.062 176.730 174.700 -0.054 0.000 1.042 76 T CA 2.192 64.254 62.100 -0.063 0.000 1.140 76 T CB -0.298 68.490 68.868 -0.134 0.000 0.864 76 T HN 0.607 8.847 8.240 -0.000 0.000 0.455 77 E N 0.501 120.693 120.200 -0.013 0.000 2.153 77 E HA -0.103 4.243 4.350 -0.007 0.000 0.194 77 E C 2.503 179.097 176.600 -0.011 0.000 0.988 77 E CA 0.796 57.187 56.400 -0.015 0.000 0.811 77 E CB -0.040 29.661 29.700 0.001 0.000 0.746 77 E HN 0.376 8.736 8.360 -0.000 0.000 0.466 78 R N 0.015 120.518 120.500 0.006 0.000 2.092 78 R HA -0.108 4.228 4.340 -0.007 0.000 0.231 78 R C 2.256 178.567 176.300 0.019 0.000 1.119 78 R CA 0.800 56.910 56.100 0.018 0.000 0.970 78 R CB -0.190 30.132 30.300 0.036 0.000 0.864 78 R HN 0.119 8.389 8.270 -0.000 0.000 0.440 79 L N 0.150 121.381 121.223 0.014 0.000 2.093 79 L HA -0.137 4.199 4.340 -0.007 0.000 0.208 79 L C 2.497 179.366 176.870 -0.001 0.000 1.085 79 L CA 1.515 56.368 54.840 0.021 0.000 0.755 79 L CB -0.418 41.647 42.059 0.010 0.000 0.904 79 L HN 0.192 8.422 8.230 -0.000 0.000 0.435 80 A N -0.996 121.799 122.820 -0.042 0.000 1.933 80 A HA -0.254 4.062 4.320 -0.007 0.000 0.218 80 A C 2.330 179.902 177.584 -0.020 0.000 1.175 80 A CA 1.832 53.840 52.037 -0.049 0.000 0.628 80 A CB -0.488 18.467 19.000 -0.075 0.000 0.814 80 A HN 0.461 8.611 8.150 -0.000 0.000 0.444 81 E N -0.238 119.954 120.200 -0.013 0.000 2.072 81 E HA -0.117 4.229 4.350 -0.007 0.000 0.191 81 E C 1.991 178.586 176.600 -0.008 0.000 0.985 81 E CA 1.404 57.797 56.400 -0.013 0.000 0.801 81 E CB -0.082 29.612 29.700 -0.011 0.000 0.750 81 E HN 0.378 8.738 8.360 -0.000 0.000 0.452 82 V N 0.654 120.577 119.914 0.016 0.000 2.343 82 V HA -0.225 3.891 4.120 -0.007 0.000 0.247 82 V C 2.453 178.563 176.094 0.027 0.000 1.051 82 V CA 1.202 63.520 62.300 0.029 0.000 1.036 82 V CB -0.352 31.518 31.823 0.080 0.000 0.654 82 V HN 0.158 8.348 8.190 -0.000 0.000 0.451 83 V N -0.209 119.757 119.914 0.087 0.000 2.407 83 V HA -0.204 3.912 4.120 -0.007 0.000 0.248 83 V C 2.636 178.732 176.094 0.003 0.000 1.055 83 V CA 1.841 64.228 62.300 0.145 0.000 1.049 83 V CB -0.494 31.426 31.823 0.162 0.000 0.662 83 V HN 0.569 8.759 8.190 -0.000 0.000 0.455 84 E N 0.054 120.240 120.200 -0.023 0.000 2.046 84 E HA -0.174 4.172 4.350 -0.007 0.000 0.190 84 E C 2.264 178.811 176.600 -0.089 0.000 0.982 84 E CA 1.012 57.383 56.400 -0.050 0.000 0.800 84 E CB -0.230 29.447 29.700 -0.038 0.000 0.756 84 E HN 0.550 8.910 8.360 -0.000 0.000 0.449 85 K N 0.066 120.412 120.400 -0.090 0.000 2.147 85 K HA -0.076 4.240 4.320 -0.007 0.000 0.205 85 K C 2.081 178.575 176.600 -0.178 0.000 1.049 85 K CA 1.169 57.393 56.287 -0.105 0.000 0.936 85 K CB -0.062 32.394 32.500 -0.074 0.000 0.722 85 K HN 0.108 8.358 8.250 -0.000 0.000 0.446 86 C N -0.043 119.078 119.300 -0.300 0.000 2.594 86 C HA 0.291 4.747 4.460 -0.007 0.000 0.265 86 C C 1.044 175.699 174.990 -0.559 0.000 1.351 86 C CA -0.051 58.638 59.018 -0.549 0.000 1.744 86 C CB -0.697 26.391 27.740 -1.087 0.000 1.890 86 C HN 0.559 8.789 8.230 -0.000 0.000 0.551 87 A N 0.046 122.661 122.820 -0.342 0.000 2.745 87 A HA -0.223 4.093 4.320 -0.007 0.000 0.296 87 A C 0.061 177.566 177.584 -0.132 0.000 1.500 87 A CA 0.378 52.306 52.037 -0.181 0.000 0.766 87 A CB -2.468 16.458 19.000 -0.123 0.000 1.030 87 A HN 0.468 8.618 8.150 -0.000 0.000 0.489 88 F N 1.175 121.131 119.950 0.009 0.000 2.518 88 F HA 0.379 4.902 4.527 -0.006 0.000 0.359 88 F C 1.575 177.387 175.800 0.019 0.000 1.118 88 F CA 0.272 58.282 58.000 0.018 0.000 1.287 88 F CB 0.505 39.522 39.000 0.027 0.000 1.132 88 F HN 0.621 8.921 8.300 -0.000 0.000 0.587 89 S N 1.303 117.147 115.700 0.240 0.000 2.579 89 S HA 0.026 4.492 4.470 -0.007 0.000 0.275 89 S C 0.877 175.554 174.600 0.128 0.000 1.345 89 S CA -0.781 57.503 58.200 0.139 0.000 1.031 89 S CB 0.709 63.973 63.200 0.106 0.000 0.892 89 S HN 0.588 8.898 8.310 -0.000 0.000 0.529 90 D N 1.497 121.953 120.400 0.094 0.000 2.172 90 D HA -0.154 4.482 4.640 -0.007 0.000 0.196 90 D C 1.346 177.698 176.300 0.087 0.000 0.999 90 D CA 1.828 55.880 54.000 0.087 0.000 0.856 90 D CB -0.334 40.508 40.800 0.071 0.000 0.934 90 D HN 0.912 9.282 8.370 -0.000 0.000 0.453 91 D N -0.121 120.324 120.400 0.075 0.000 2.328 91 D HA -0.057 4.579 4.640 -0.007 0.000 0.226 91 D C -0.110 176.221 176.300 0.051 0.000 1.066 91 D CA 0.027 54.065 54.000 0.064 0.000 0.861 91 D CB -0.630 40.202 40.800 0.054 0.000 0.912 91 D HN -0.124 8.246 8.370 -0.000 0.000 0.521 92 T N 0.948 115.529 114.554 0.045 0.000 2.853 92 T HA 0.176 4.523 4.350 -0.007 0.000 0.298 92 T C 0.399 175.090 174.700 -0.015 0.000 0.978 92 T CA -0.417 61.674 62.100 -0.015 0.000 1.152 92 T CB 1.677 70.485 68.868 -0.100 0.000 0.914 92 T HN -0.091 8.149 8.240 -0.000 0.000 0.539 93 V N 5.592 125.506 119.914 0.000 0.000 2.488 93 V HA 0.252 4.368 4.120 -0.007 0.000 0.277 93 V C 0.231 176.346 176.094 0.036 0.000 1.046 93 V CA -0.424 61.899 62.300 0.038 0.000 0.986 93 V CB 0.438 32.295 31.823 0.057 0.000 0.989 93 V HN 0.685 8.875 8.190 -0.000 0.000 0.475 94 I N 5.694 126.308 120.570 0.073 0.000 2.465 94 I HA 0.466 4.632 4.170 -0.007 0.000 0.291 94 I C -0.283 175.912 176.117 0.129 0.000 1.014 94 I CA -0.551 60.808 61.300 0.098 0.000 1.093 94 I CB 1.973 40.068 38.000 0.158 0.000 1.267 94 I HN 0.243 8.453 8.210 -0.000 0.000 0.431 95 V N 5.614 125.604 119.914 0.126 0.000 2.448 95 V HA 0.374 4.490 4.120 -0.007 0.000 0.295 95 V C 0.113 176.273 176.094 0.110 0.000 1.025 95 V CA -0.803 61.534 62.300 0.062 0.000 0.859 95 V CB 2.004 33.849 31.823 0.037 0.000 0.988 95 V HN 0.686 8.876 8.190 -0.000 0.000 0.431 96 N N 4.283 123.046 118.700 0.104 0.000 2.439 96 N HA 0.336 5.072 4.740 -0.007 0.000 0.249 96 N C -0.986 174.585 175.510 0.102 0.000 1.003 96 N CA -0.097 53.050 53.050 0.161 0.000 0.942 96 N CB 1.445 40.097 38.487 0.275 0.000 1.115 96 N HN 0.407 8.787 8.380 -0.000 0.000 0.505 97 V N 3.965 123.932 119.914 0.088 0.000 2.370 97 V HA 0.284 4.400 4.120 -0.007 0.000 0.283 97 V C 0.418 176.548 176.094 0.059 0.000 1.023 97 V CA -0.871 61.462 62.300 0.055 0.000 0.857 97 V CB 1.251 33.105 31.823 0.052 0.000 0.985 97 V HN 0.565 8.755 8.190 -0.000 0.000 0.443 98 Q N 2.324 122.150 119.800 0.044 0.000 2.361 98 Q HA 0.200 4.536 4.340 -0.007 0.000 0.276 98 Q C 1.316 177.339 176.000 0.039 0.000 1.022 98 Q CA 0.542 56.372 55.803 0.045 0.000 0.898 98 Q CB 0.780 29.534 28.738 0.028 0.000 1.246 98 Q HN 0.966 9.236 8.270 -0.000 0.000 0.410 99 G N 1.595 110.422 108.800 0.044 0.000 3.026 99 G HA2 -0.118 3.838 3.960 -0.007 0.000 0.208 99 G HA3 -0.118 3.838 3.960 -0.007 0.000 0.208 99 G C 0.198 175.113 174.900 0.027 0.000 1.169 99 G CA 0.095 45.219 45.100 0.042 0.000 0.788 99 G HN 0.740 9.030 8.290 -0.000 0.000 0.533 100 D N -0.366 120.043 120.400 0.015 0.000 2.491 100 D HA 0.048 4.684 4.640 -0.007 0.000 0.228 100 D C 0.248 176.544 176.300 -0.006 0.000 1.183 100 D CA -0.295 53.705 54.000 -0.000 0.000 0.827 100 D CB -0.007 40.788 40.800 -0.007 0.000 0.989 100 D HN 0.260 8.630 8.370 -0.000 0.000 0.494 101 E N 1.486 121.687 120.200 0.002 0.000 3.167 101 E HA 0.139 4.485 4.350 -0.007 0.000 0.212 101 E C -1.933 174.670 176.600 0.005 0.000 1.143 101 E CA -1.528 54.869 56.400 -0.006 0.000 1.002 101 E CB 1.574 31.268 29.700 -0.010 0.000 1.315 101 E HN 0.163 8.523 8.360 -0.000 0.000 0.422 102 P HA -0.070 4.350 4.420 -0.000 0.000 0.226 102 P C 0.890 178.191 177.300 0.002 0.000 1.153 102 P CA 0.882 63.990 63.100 0.014 0.000 0.777 102 P CB 0.239 31.904 31.700 -0.059 0.000 0.794 103 M N -1.112 118.476 119.600 -0.019 0.000 2.405 103 M HA 0.216 4.692 4.480 -0.007 0.000 0.292 103 M C 0.795 177.090 176.300 -0.009 0.000 1.111 103 M CA -0.555 54.735 55.300 -0.016 0.000 0.979 103 M CB 0.488 33.068 32.600 -0.034 0.000 1.426 103 M HN -0.153 8.137 8.290 -0.000 0.000 0.509 104 I N 3.767 124.335 120.570 -0.004 0.000 2.741 104 I HA 0.052 4.218 4.170 -0.007 0.000 0.288 104 I C -2.046 174.071 176.117 -0.000 0.000 1.192 104 I CA -1.482 59.812 61.300 -0.009 0.000 1.426 104 I CB 0.882 38.877 38.000 -0.009 0.000 1.367 104 I HN -0.071 8.139 8.210 -0.000 0.000 0.563 105 P HA 0.056 4.476 4.420 -0.000 0.000 0.271 105 P C 0.024 177.327 177.300 0.005 0.000 1.220 105 P CA -0.109 62.991 63.100 -0.001 0.000 0.768 105 P CB 1.145 32.839 31.700 -0.009 0.000 0.848 106 A N 3.559 126.391 122.820 0.019 0.000 2.024 106 A HA -0.199 4.117 4.320 -0.007 0.000 0.220 106 A C 1.982 179.581 177.584 0.025 0.000 1.164 106 A CA 2.403 54.461 52.037 0.035 0.000 0.643 106 A CB -1.798 17.230 19.000 0.046 0.000 0.806 106 A HN 0.606 8.756 8.150 -0.000 0.000 0.451 107 T N -0.069 114.490 114.554 0.008 0.000 2.720 107 T HA -0.207 4.139 4.350 -0.007 0.000 0.268 107 T C 1.814 176.497 174.700 -0.029 0.000 1.037 107 T CA 1.618 63.714 62.100 -0.006 0.000 1.144 107 T CB -0.911 67.952 68.868 -0.009 0.000 0.864 107 T HN 0.828 9.068 8.240 -0.000 0.000 0.444 108 I N -0.789 119.761 120.570 -0.034 0.000 2.546 108 I HA 0.117 4.283 4.170 -0.007 0.000 0.255 108 I C 2.339 178.410 176.117 -0.076 0.000 1.163 108 I CA 0.881 62.146 61.300 -0.057 0.000 1.457 108 I CB -0.619 37.346 38.000 -0.059 0.000 1.092 108 I HN 0.134 8.344 8.210 -0.000 0.000 0.434 109 I N 1.161 121.700 120.570 -0.051 0.000 2.226 109 I HA -0.217 3.949 4.170 -0.007 0.000 0.245 109 I C 2.893 178.908 176.117 -0.171 0.000 1.100 109 I CA 1.448 62.714 61.300 -0.058 0.000 1.374 109 I CB -0.380 37.645 38.000 0.042 0.000 1.057 109 I HN 0.241 8.451 8.210 -0.000 0.000 0.413 110 R N 0.575 120.992 120.500 -0.138 0.000 2.115 110 R HA -0.175 4.161 4.340 -0.007 0.000 0.226 110 R C 2.367 178.516 176.300 -0.251 0.000 1.100 110 R CA 1.088 57.037 56.100 -0.252 0.000 0.980 110 R CB -0.111 30.156 30.300 -0.054 0.000 0.875 110 R HN 0.353 8.623 8.270 -0.000 0.000 0.445 111 Q N 0.046 119.755 119.800 -0.153 0.000 2.061 111 Q HA -0.165 4.171 4.340 -0.007 0.000 0.204 111 Q C 1.831 177.742 176.000 -0.149 0.000 0.984 111 Q CA 2.128 57.857 55.803 -0.123 0.000 0.846 111 Q CB 0.096 28.784 28.738 -0.083 0.000 0.902 111 Q HN 0.263 8.533 8.270 -0.000 0.000 0.421 112 V N 0.817 120.627 119.914 -0.172 0.000 2.427 112 V HA -0.223 3.893 4.120 -0.007 0.000 0.248 112 V C 2.341 178.305 176.094 -0.218 0.000 1.051 112 V CA 1.561 63.763 62.300 -0.164 0.000 1.048 112 V CB -1.052 30.674 31.823 -0.162 0.000 0.666 112 V HN 0.489 8.679 8.190 -0.000 0.000 0.456 113 A N 0.338 122.940 122.820 -0.364 0.000 1.877 113 A HA -0.244 4.072 4.320 -0.007 0.000 0.216 113 A C 1.996 179.408 177.584 -0.286 0.000 1.186 113 A CA 2.075 53.838 52.037 -0.456 0.000 0.620 113 A CB -0.665 17.664 19.000 -1.119 0.000 0.822 113 A HN 0.520 8.670 8.150 -0.000 0.000 0.443 114 D N 0.181 120.428 120.400 -0.255 0.000 2.144 114 D HA -0.127 4.509 4.640 -0.007 0.000 0.199 114 D C 1.629 177.860 176.300 -0.115 0.000 0.984 114 D CA 1.177 55.090 54.000 -0.146 0.000 0.834 114 D CB -0.483 40.250 40.800 -0.113 0.000 0.955 114 D HN 0.351 8.721 8.370 -0.000 0.000 0.465 115 N N 0.662 119.293 118.700 -0.114 0.000 2.104 115 N HA -0.124 4.612 4.740 -0.007 0.000 0.190 115 N C 1.764 177.209 175.510 -0.108 0.000 1.024 115 N CA 0.321 53.312 53.050 -0.099 0.000 0.853 115 N CB -0.407 38.061 38.487 -0.032 0.000 1.008 115 N HN 0.193 8.573 8.380 -0.000 0.000 0.424 116 L N 0.787 121.953 121.223 -0.095 0.000 2.072 116 L HA 0.048 4.385 4.340 -0.007 0.000 0.205 116 L C 1.979 178.813 176.870 -0.060 0.000 1.079 116 L CA 1.326 56.122 54.840 -0.072 0.000 0.752 116 L CB -1.158 40.855 42.059 -0.076 0.000 0.906 116 L HN 0.073 8.303 8.230 -0.000 0.000 0.436 117 A N 0.481 123.262 122.820 -0.065 0.000 1.892 117 A HA -0.275 4.041 4.320 -0.007 0.000 0.218 117 A C 2.038 179.600 177.584 -0.037 0.000 1.188 117 A CA 2.015 54.028 52.037 -0.040 0.000 0.631 117 A CB -0.643 18.334 19.000 -0.039 0.000 0.822 117 A HN 0.777 8.927 8.150 -0.000 0.000 0.447 118 Q N -1.343 118.423 119.800 -0.058 0.000 2.451 118 Q HA 0.141 4.477 4.340 -0.007 0.000 0.206 118 Q C 0.696 176.661 176.000 -0.059 0.000 0.947 118 Q CA 0.108 55.878 55.803 -0.055 0.000 0.937 118 Q CB 0.100 28.798 28.738 -0.067 0.000 1.025 118 Q HN 0.547 8.817 8.270 -0.000 0.000 0.511 119 R N 0.544 121.005 120.500 -0.065 0.000 2.778 119 R HA 0.311 4.647 4.340 -0.007 0.000 0.277 119 R C -0.721 175.579 176.300 -0.000 0.000 0.977 119 R CA -0.543 55.532 56.100 -0.041 0.000 0.950 119 R CB 1.654 31.904 30.300 -0.085 0.000 1.165 119 R HN 0.147 8.417 8.270 -0.000 0.000 0.474 120 Q N 2.188 122.003 119.800 0.025 0.000 2.571 120 Q HA 0.328 4.664 4.340 -0.007 0.000 0.222 120 Q C -1.226 174.795 176.000 0.035 0.000 1.167 120 Q CA -0.182 55.636 55.803 0.027 0.000 0.966 120 Q CB 1.227 29.980 28.738 0.024 0.000 1.274 120 Q HN 0.206 8.476 8.270 -0.000 0.000 0.552 121 V N -0.383 119.548 119.914 0.028 0.000 3.077 121 V HA 0.266 4.382 4.120 -0.007 0.000 0.299 121 V C 0.761 176.804 176.094 -0.086 0.000 1.276 121 V CA -0.383 61.931 62.300 0.022 0.000 0.993 121 V CB 2.191 34.098 31.823 0.141 0.000 1.076 121 V HN 0.711 8.901 8.190 -0.000 0.000 0.434 122 G N 2.762 111.416 108.800 -0.244 0.000 2.403 122 G HA2 0.048 4.004 3.960 -0.007 0.000 0.216 122 G HA3 0.048 4.004 3.960 -0.007 0.000 0.216 122 G C 0.371 174.788 174.900 -0.805 0.000 1.154 122 G CA 0.653 45.244 45.100 -0.847 0.000 0.784 122 G HN 0.444 8.734 8.290 -0.000 0.000 0.538 123 M N 0.049 119.418 119.600 -0.386 0.000 2.386 123 M HA 0.612 5.088 4.480 -0.007 0.000 0.293 123 M C -1.199 175.110 176.300 0.016 0.000 1.120 123 M CA -0.560 54.656 55.300 -0.140 0.000 0.909 123 M CB 2.823 35.426 32.600 0.005 0.000 1.661 123 M HN 0.087 8.377 8.290 -0.000 0.000 0.452 124 A N 1.740 124.555 122.820 -0.008 0.000 2.380 124 A HA 0.955 5.271 4.320 -0.007 0.000 0.315 124 A C -0.656 176.950 177.584 0.037 0.000 1.101 124 A CA -0.510 51.559 52.037 0.053 0.000 0.771 124 A CB 2.101 21.112 19.000 0.019 0.000 1.287 124 A HN 0.756 8.906 8.150 -0.000 0.000 0.436 125 T N -0.229 114.361 114.554 0.061 0.000 2.671 125 T HA 0.625 4.971 4.350 -0.007 0.000 0.300 125 T C -1.955 172.744 174.700 -0.001 0.000 1.238 125 T CA -0.250 61.862 62.100 0.019 0.000 1.020 125 T CB 0.797 69.759 68.868 0.158 0.000 1.503 125 T HN 0.572 8.812 8.240 -0.000 0.000 0.497 126 L N 1.109 122.316 121.223 -0.027 0.000 2.371 126 L HA 0.980 5.316 4.340 -0.007 0.000 0.262 126 L C -0.407 176.463 176.870 0.001 0.000 1.006 126 L CA -0.566 54.245 54.840 -0.049 0.000 0.818 126 L CB 1.677 43.673 42.059 -0.106 0.000 1.354 126 L HN 0.947 9.177 8.230 -0.000 0.000 0.415 127 A N 1.199 124.010 122.820 -0.016 0.000 2.566 127 A HA 0.927 5.243 4.320 -0.007 0.000 0.292 127 A C -1.364 176.196 177.584 -0.040 0.000 1.112 127 A CA -0.409 51.627 52.037 -0.001 0.000 0.707 127 A CB 1.986 20.999 19.000 0.022 0.000 1.302 127 A HN 0.853 9.003 8.150 -0.000 0.000 0.409 128 V N -2.174 117.714 119.914 -0.043 0.000 2.962 128 V HA 0.823 4.939 4.120 -0.007 0.000 0.313 128 V C -3.135 172.908 176.094 -0.085 0.000 1.099 128 V CA -2.686 59.574 62.300 -0.067 0.000 0.971 128 V CB 1.554 33.331 31.823 -0.077 0.000 1.028 128 V HN 0.649 8.839 8.190 -0.000 0.000 0.430 129 P HA 0.436 4.856 4.420 -0.000 0.000 0.272 129 P C -0.597 176.519 177.300 -0.306 0.000 1.223 129 P CA -0.051 62.930 63.100 -0.197 0.000 0.784 129 P CB 0.482 32.023 31.700 -0.265 0.000 0.923 130 I N 2.511 122.983 120.570 -0.164 0.000 2.359 130 I HA 0.222 4.388 4.170 -0.007 0.000 0.294 130 I C 0.883 176.955 176.117 -0.075 0.000 0.987 130 I CA -0.230 60.998 61.300 -0.120 0.000 1.225 130 I CB 0.722 38.719 38.000 -0.005 0.000 1.366 130 I HN 0.505 8.715 8.210 -0.000 0.000 0.466 131 H N 4.274 123.348 119.070 0.008 0.000 2.662 131 H HA 0.243 4.798 4.556 -0.002 0.000 0.268 131 H C -0.243 175.077 175.328 -0.014 0.000 1.152 131 H CA -0.388 55.663 56.048 0.005 0.000 1.072 131 H CB 0.512 30.280 29.762 0.010 0.000 1.660 131 H HN 0.522 8.802 8.280 -0.000 0.000 0.584 132 N N 0.269 119.006 118.700 0.062 0.000 2.367 132 N HA 0.153 4.890 4.740 -0.007 0.000 0.278 132 N C 0.135 175.633 175.510 -0.019 0.000 1.117 132 N CA 0.010 53.074 53.050 0.024 0.000 0.867 132 N CB 1.885 40.389 38.487 0.029 0.000 1.649 132 N HN 0.090 8.470 8.380 -0.000 0.000 0.479 133 A N 2.533 125.352 122.820 -0.001 0.000 1.898 133 A HA -0.085 4.231 4.320 -0.007 0.000 0.216 133 A C 1.747 179.376 177.584 0.075 0.000 1.181 133 A CA 1.513 53.571 52.037 0.035 0.000 0.620 133 A CB -0.641 18.374 19.000 0.025 0.000 0.819 133 A HN 0.886 9.036 8.150 -0.000 0.000 0.442 134 E N -0.529 119.685 120.200 0.023 0.000 2.086 134 E HA -0.284 4.062 4.350 -0.007 0.000 0.200 134 E C 2.055 178.681 176.600 0.042 0.000 1.012 134 E CA 1.688 58.103 56.400 0.024 0.000 0.812 134 E CB -0.105 29.596 29.700 0.002 0.000 0.743 134 E HN 0.789 9.149 8.360 -0.000 0.000 0.453 135 E N -0.452 119.757 120.200 0.014 0.000 2.107 135 E HA -0.147 4.199 4.350 -0.007 0.000 0.191 135 E C 1.908 178.491 176.600 -0.027 0.000 0.982 135 E CA 0.774 57.173 56.400 -0.002 0.000 0.809 135 E CB -0.069 29.622 29.700 -0.014 0.000 0.756 135 E HN 0.278 8.638 8.360 -0.000 0.000 0.459 136 A N 0.162 122.930 122.820 -0.085 0.000 1.933 136 A HA -0.123 4.193 4.320 -0.007 0.000 0.218 136 A C 1.587 179.003 177.584 -0.279 0.000 1.175 136 A CA 1.048 52.931 52.037 -0.257 0.000 0.628 136 A CB -0.547 18.134 19.000 -0.531 0.000 0.814 136 A HN 0.368 8.518 8.150 -0.000 0.000 0.444 137 F N -0.387 119.488 119.950 -0.124 0.000 2.727 137 F HA 0.194 4.716 4.527 -0.008 0.000 0.302 137 F C 0.788 176.574 175.800 -0.023 0.000 1.097 137 F CA -0.414 57.542 58.000 -0.072 0.000 1.330 137 F CB 0.104 39.031 39.000 -0.123 0.000 1.084 137 F HN 0.106 8.406 8.300 -0.000 0.000 0.578 138 N N 2.913 121.678 118.700 0.108 0.000 2.420 138 N HA 0.048 4.784 4.740 -0.007 0.000 0.262 138 N C -1.664 173.883 175.510 0.062 0.000 1.144 138 N CA -2.004 51.089 53.050 0.073 0.000 0.952 138 N CB 0.998 39.511 38.487 0.044 0.000 1.081 138 N HN -0.058 8.322 8.380 -0.000 0.000 0.480 139 P HA -0.033 4.387 4.420 -0.000 0.000 0.233 139 P C 0.020 177.351 177.300 0.052 0.000 1.167 139 P CA 0.918 64.057 63.100 0.064 0.000 0.770 139 P CB 0.271 32.010 31.700 0.066 0.000 0.837 140 N N -0.031 118.695 118.700 0.043 0.000 2.494 140 N HA 0.060 4.796 4.740 -0.007 0.000 0.182 140 N C 0.547 176.080 175.510 0.038 0.000 1.076 140 N CA -0.031 53.041 53.050 0.036 0.000 0.908 140 N CB -0.083 38.419 38.487 0.025 0.000 0.967 140 N HN 0.098 8.478 8.380 -0.000 0.000 0.449 141 A N 1.069 123.914 122.820 0.041 0.000 2.260 141 A HA 0.382 4.698 4.320 -0.007 0.000 0.312 141 A C -0.122 177.505 177.584 0.071 0.000 1.321 141 A CA -0.505 51.559 52.037 0.044 0.000 0.928 141 A CB 0.377 19.393 19.000 0.028 0.000 1.158 141 A HN -0.046 8.104 8.150 -0.000 0.000 0.542 142 V N 3.636 123.610 119.914 0.101 0.000 2.470 142 V HA 0.141 4.257 4.120 -0.007 0.000 0.276 142 V C 0.340 176.537 176.094 0.172 0.000 1.040 142 V CA -0.034 62.356 62.300 0.150 0.000 1.008 142 V CB 0.425 32.379 31.823 0.219 0.000 0.990 142 V HN 0.830 9.020 8.190 -0.000 0.000 0.477 143 K N 3.319 123.803 120.400 0.141 0.000 2.098 143 K HA 0.733 5.049 4.320 -0.007 0.000 0.258 143 K C -0.729 175.909 176.600 0.063 0.000 0.973 143 K CA -0.388 55.973 56.287 0.124 0.000 0.898 143 K CB 1.935 34.523 32.500 0.147 0.000 1.057 143 K HN 0.450 8.700 8.250 -0.000 0.000 0.447 144 V N 2.502 122.400 119.914 -0.026 0.000 2.841 144 V HA 0.685 4.801 4.120 -0.007 0.000 0.310 144 V C -1.522 174.450 176.094 -0.203 0.000 1.090 144 V CA -0.796 61.351 62.300 -0.255 0.000 0.930 144 V CB 2.032 33.591 31.823 -0.440 0.000 1.014 144 V HN 0.540 8.730 8.190 -0.000 0.000 0.425 145 V N 5.686 125.468 119.914 -0.220 0.000 2.628 145 V HA 0.758 4.874 4.120 -0.007 0.000 0.306 145 V C -0.912 175.086 176.094 -0.160 0.000 1.045 145 V CA -0.609 61.603 62.300 -0.147 0.000 0.905 145 V CB 1.646 33.426 31.823 -0.072 0.000 0.997 145 V HN 0.804 8.994 8.190 -0.000 0.000 0.436 146 L N 3.160 124.306 121.223 -0.129 0.000 2.319 146 L HA 0.678 5.014 4.340 -0.007 0.000 0.267 146 L C -0.268 176.569 176.870 -0.054 0.000 1.011 146 L CA -0.812 53.961 54.840 -0.112 0.000 0.818 146 L CB 2.093 44.067 42.059 -0.142 0.000 1.316 146 L HN 0.974 9.204 8.230 -0.000 0.000 0.432 147 D N 0.419 120.813 120.400 -0.010 0.000 2.539 147 D HA 0.308 4.944 4.640 -0.007 0.000 0.276 147 D C 0.788 177.097 176.300 0.016 0.000 1.206 147 D CA -0.208 53.807 54.000 0.024 0.000 1.081 147 D CB 0.977 41.824 40.800 0.078 0.000 1.142 147 D HN 0.503 8.873 8.370 -0.000 0.000 0.595 148 A N -0.668 122.173 122.820 0.035 0.000 2.019 148 A HA -0.133 4.183 4.320 -0.007 0.000 0.219 148 A C 1.584 179.188 177.584 0.032 0.000 1.164 148 A CA 1.064 53.115 52.037 0.024 0.000 0.644 148 A CB -0.573 18.444 19.000 0.028 0.000 0.805 148 A HN 0.557 8.707 8.150 -0.000 0.000 0.449 149 E N -1.208 119.041 120.200 0.082 0.000 2.479 149 E HA 0.210 4.556 4.350 -0.007 0.000 0.193 149 E C 1.118 177.684 176.600 -0.057 0.000 1.049 149 E CA 0.591 57.043 56.400 0.086 0.000 0.870 149 E CB -0.072 29.796 29.700 0.279 0.000 0.944 149 E HN 0.777 9.137 8.360 -0.000 0.000 0.492 150 G N 1.295 110.022 108.800 -0.122 0.000 2.159 150 G HA2 -0.294 3.662 3.960 -0.007 0.000 0.256 150 G HA3 -0.294 3.662 3.960 -0.007 0.000 0.256 150 G C -0.144 174.449 174.900 -0.512 0.000 0.977 150 G CA -0.015 44.876 45.100 -0.349 0.000 0.652 150 G HN 0.220 8.510 8.290 -0.000 0.000 0.531 151 Y N 0.916 121.204 120.300 -0.021 0.000 2.346 151 Y HA 0.528 5.074 4.550 -0.006 0.000 0.330 151 Y C 1.078 176.938 175.900 -0.066 0.000 1.178 151 Y CA -0.067 58.035 58.100 0.002 0.000 1.331 151 Y CB 0.902 39.407 38.460 0.075 0.000 1.253 151 Y HN 0.459 8.739 8.280 -0.000 0.000 0.529 152 A N 3.533 126.389 122.820 0.061 0.000 2.454 152 A HA 0.220 4.536 4.320 -0.007 0.000 0.260 152 A C 0.674 178.257 177.584 -0.002 0.000 1.106 152 A CA -0.342 51.621 52.037 -0.123 0.000 0.780 152 A CB 0.162 18.983 19.000 -0.297 0.000 1.044 152 A HN 0.814 8.964 8.150 -0.000 0.000 0.498 153 L N 1.625 122.825 121.223 -0.039 0.000 2.102 153 L HA 0.208 4.544 4.340 -0.007 0.000 0.202 153 L C 0.321 177.283 176.870 0.154 0.000 1.076 153 L CA 1.759 56.632 54.840 0.054 0.000 0.761 153 L CB -0.897 41.182 42.059 0.033 0.000 0.921 153 L HN 0.762 8.992 8.230 -0.000 0.000 0.444 154 Y N -2.143 118.088 120.300 -0.115 0.000 2.604 154 Y HA 0.451 4.997 4.550 -0.007 0.000 0.331 154 Y C -1.457 174.347 175.900 -0.160 0.000 1.158 154 Y CA -2.049 56.038 58.100 -0.021 0.000 1.056 154 Y CB 1.075 39.556 38.460 0.034 0.000 1.330 154 Y HN -0.130 8.150 8.280 -0.000 0.000 0.457 155 F N 2.508 122.128 119.950 -0.550 0.000 2.522 155 F HA 0.767 5.290 4.527 -0.006 0.000 0.324 155 F C 0.165 175.536 175.800 -0.715 0.000 1.077 155 F CA -0.734 56.999 58.000 -0.445 0.000 0.944 155 F CB 2.332 41.158 39.000 -0.290 0.000 1.175 155 F HN 0.402 8.702 8.300 -0.000 0.000 0.468 156 S N 0.641 116.264 115.700 -0.127 0.000 2.565 156 S HA 0.433 4.899 4.470 -0.007 0.000 0.269 156 S C -0.040 174.595 174.600 0.058 0.000 1.153 156 S CA -0.850 57.309 58.200 -0.068 0.000 0.835 156 S CB 1.530 64.769 63.200 0.065 0.000 1.122 156 S HN 0.719 9.029 8.310 -0.000 0.000 0.462 157 R N 0.947 121.492 120.500 0.076 0.000 2.280 157 R HA 0.345 4.682 4.340 -0.007 0.000 0.195 157 R C 0.925 177.284 176.300 0.098 0.000 0.935 157 R CA 0.389 56.539 56.100 0.084 0.000 1.033 157 R CB -0.059 30.285 30.300 0.074 0.000 0.964 157 R HN 0.560 8.830 8.270 -0.000 0.000 0.489 158 A N 1.311 124.206 122.820 0.126 0.000 2.366 158 A HA 0.175 4.491 4.320 -0.007 0.000 0.249 158 A C 0.114 177.789 177.584 0.152 0.000 1.084 158 A CA -0.001 52.125 52.037 0.148 0.000 0.794 158 A CB 0.343 19.448 19.000 0.174 0.000 1.034 158 A HN 0.065 8.215 8.150 -0.000 0.000 0.491 159 T N 2.384 117.030 114.554 0.153 0.000 2.978 159 T HA 0.421 4.767 4.350 -0.007 0.000 0.278 159 T C 0.163 175.090 174.700 0.378 0.000 0.945 159 T CA 0.509 62.678 62.100 0.115 0.000 1.070 159 T CB -1.380 67.255 68.868 -0.388 0.000 0.948 159 T HN 0.502 8.742 8.240 -0.000 0.000 0.617 160 I N 1.421 122.181 120.570 0.317 0.000 2.569 160 I HA 0.721 4.887 4.170 -0.007 0.000 0.296 160 I C -2.666 173.458 176.117 0.012 0.000 1.028 160 I CA -3.331 58.107 61.300 0.231 0.000 1.082 160 I CB 2.271 40.388 38.000 0.194 0.000 1.264 160 I HN 0.144 8.354 8.210 -0.000 0.000 0.429 161 P HA -0.027 4.393 4.420 -0.000 0.000 0.274 161 P C -1.020 176.333 177.300 0.089 0.000 1.231 161 P CA -0.181 62.873 63.100 -0.077 0.000 0.790 161 P CB 0.723 32.303 31.700 -0.201 0.000 0.951 162 W N 3.678 125.017 121.300 0.065 0.000 2.546 162 W HA 0.068 4.726 4.660 -0.004 0.000 0.323 162 W C -0.554 176.013 176.519 0.080 0.000 1.272 162 W CA 0.391 57.863 57.345 0.212 0.000 1.404 162 W CB 0.248 29.826 29.460 0.196 0.000 1.411 162 W HN 0.332 8.512 8.180 -0.000 0.000 0.480 163 D N 5.608 125.806 120.400 -0.338 0.000 2.505 163 D HA 0.142 4.778 4.640 -0.007 0.000 0.242 163 D C 1.710 177.376 176.300 -1.056 0.000 1.136 163 D CA 0.074 53.733 54.000 -0.568 0.000 0.954 163 D CB 0.566 41.109 40.800 -0.428 0.000 1.002 163 D HN 0.587 8.957 8.370 -0.000 0.000 0.512 164 R N 1.658 121.865 120.500 -0.488 0.000 2.355 164 R HA -0.072 4.264 4.340 -0.007 0.000 0.219 164 R C 1.431 177.598 176.300 -0.221 0.000 1.107 164 R CA 2.080 58.037 56.100 -0.239 0.000 1.021 164 R CB -1.441 28.940 30.300 0.135 0.000 0.852 164 R HN 0.595 8.865 8.270 -0.000 0.000 0.475 165 D N -1.005 119.221 120.400 -0.291 0.000 2.369 165 D HA 0.121 4.757 4.640 -0.007 0.000 0.231 165 D C 2.494 178.675 176.300 -0.199 0.000 0.967 165 D CA 1.387 55.282 54.000 -0.175 0.000 0.905 165 D CB -0.591 40.142 40.800 -0.112 0.000 1.044 165 D HN 0.672 9.042 8.370 -0.000 0.000 0.487 166 R N 0.672 120.986 120.500 -0.312 0.000 2.113 166 R HA 0.132 4.468 4.340 -0.007 0.000 0.231 166 R C 1.347 177.601 176.300 -0.077 0.000 1.129 166 R CA 1.575 57.562 56.100 -0.189 0.000 0.915 166 R CB -2.138 28.065 30.300 -0.162 0.000 0.837 166 R HN 0.792 9.062 8.270 -0.000 0.000 0.430 167 F N -0.500 119.432 119.950 -0.030 0.000 2.467 167 F HA 0.618 5.141 4.527 -0.007 0.000 0.362 167 F C 0.665 176.446 175.800 -0.031 0.000 1.090 167 F CA -1.793 56.182 58.000 -0.042 0.000 1.202 167 F CB 0.613 39.574 39.000 -0.065 0.000 1.113 167 F HN 0.290 8.590 8.300 -0.000 0.000 0.541 168 A N 3.421 126.300 122.820 0.099 0.000 2.644 168 A HA 0.524 4.840 4.320 -0.007 0.000 0.343 168 A C 0.217 177.841 177.584 0.066 0.000 1.324 168 A CA -0.543 51.568 52.037 0.124 0.000 0.846 168 A CB -0.247 18.819 19.000 0.109 0.000 1.128 168 A HN 0.920 9.070 8.150 -0.000 0.000 0.484 169 E N 1.426 121.664 120.200 0.063 0.000 2.641 169 E HA 0.399 4.745 4.350 -0.007 0.000 0.224 169 E C 0.902 177.520 176.600 0.029 0.000 0.951 169 E CA 0.153 56.574 56.400 0.035 0.000 1.102 169 E CB 0.885 30.598 29.700 0.021 0.000 1.091 169 E HN 1.149 9.509 8.360 -0.000 0.000 0.507 175 G N 1.030 109.895 108.800 0.108 0.000 2.509 175 G HA2 0.177 4.133 3.960 -0.007 0.000 0.259 175 G HA3 0.177 4.133 3.960 -0.007 0.000 0.259 175 G C 0.245 175.248 174.900 0.172 0.000 1.169 175 G CA 0.960 46.126 45.100 0.110 0.000 0.953 175 G HN 1.941 10.231 8.290 -0.000 0.000 0.563 176 D N -0.417 120.089 120.400 0.176 0.000 2.615 176 D HA 0.433 5.069 4.640 -0.007 0.000 0.274 176 D C 1.037 177.410 176.300 0.122 0.000 1.512 176 D CA 0.910 55.019 54.000 0.182 0.000 0.803 176 D CB -0.290 40.575 40.800 0.108 0.000 1.182 176 D HN 0.426 8.796 8.370 -0.000 0.000 0.473 177 N N -0.445 118.309 118.700 0.091 0.000 2.299 177 N HA 0.191 4.927 4.740 -0.007 0.000 0.187 177 N C -0.501 174.870 175.510 -0.231 0.000 1.099 177 N CA 0.012 52.987 53.050 -0.124 0.000 0.867 177 N CB 0.507 38.823 38.487 -0.286 0.000 0.974 177 N HN 0.424 8.804 8.380 -0.000 0.000 0.477 178 F N 1.092 121.040 119.950 -0.003 0.000 2.415 178 F HA 0.444 4.966 4.527 -0.009 0.000 0.348 178 F C 0.311 176.090 175.800 -0.036 0.000 1.119 178 F CA -0.684 57.307 58.000 -0.014 0.000 1.069 178 F CB 1.233 40.233 39.000 -0.001 0.000 1.124 178 F HN -0.319 7.981 8.300 -0.000 0.000 0.472 179 L N 3.895 125.179 121.223 0.103 0.000 2.346 179 L HA 0.566 4.902 4.340 -0.007 0.000 0.276 179 L C -0.166 176.747 176.870 0.072 0.000 1.006 179 L CA -0.913 53.953 54.840 0.044 0.000 0.817 179 L CB 2.044 44.094 42.059 -0.016 0.000 1.272 179 L HN 0.539 8.769 8.230 -0.000 0.000 0.421 180 R N 2.065 122.594 120.500 0.048 0.000 2.312 180 R HA 0.247 4.583 4.340 -0.007 0.000 0.311 180 R C -0.407 175.951 176.300 0.098 0.000 1.004 180 R CA -0.537 55.603 56.100 0.066 0.000 0.902 180 R CB 0.728 31.038 30.300 0.016 0.000 1.073 180 R HN 0.652 8.922 8.270 -0.000 0.000 0.457 181 H N 5.045 124.146 119.070 0.052 0.000 2.722 181 H HA 0.104 4.656 4.556 -0.007 0.000 0.328 181 H C -0.860 174.465 175.328 -0.006 0.000 1.067 181 H CA -0.553 55.538 56.048 0.072 0.000 1.447 181 H CB 0.901 30.801 29.762 0.230 0.000 1.469 181 H HN 0.254 8.534 8.280 -0.000 0.000 0.544 182 L N 4.117 125.048 121.223 -0.486 0.000 2.312 182 L HA 0.200 4.536 4.340 -0.007 0.000 0.281 182 L C 1.300 177.654 176.870 -0.861 0.000 1.070 182 L CA 0.091 54.634 54.840 -0.495 0.000 0.805 182 L CB 1.500 43.383 42.059 -0.294 0.000 1.174 182 L HN 0.877 9.107 8.230 -0.000 0.000 0.434 183 G N 4.694 113.160 108.800 -0.557 0.000 3.455 183 G HA2 0.254 4.210 3.960 -0.007 0.000 0.250 183 G HA3 0.254 4.210 3.960 -0.007 0.000 0.250 183 G C -0.040 174.582 174.900 -0.462 0.000 1.071 183 G CA 0.090 44.882 45.100 -0.514 0.000 1.812 183 G HN 0.500 8.790 8.290 -0.000 0.000 0.643 184 I N -0.418 119.782 120.570 -0.617 0.000 2.509 184 I HA 0.706 4.872 4.170 -0.007 0.000 0.293 184 I C -1.427 174.367 176.117 -0.538 0.000 1.020 184 I CA -1.410 59.652 61.300 -0.396 0.000 1.088 184 I CB 1.784 39.646 38.000 -0.229 0.000 1.267 184 I HN 0.127 8.337 8.210 -0.000 0.000 0.430 185 Y N 4.404 124.595 120.300 -0.182 0.000 2.512 185 Y HA 0.726 5.273 4.550 -0.006 0.000 0.348 185 Y C 0.309 175.886 175.900 -0.538 0.000 0.990 185 Y CA -0.903 56.981 58.100 -0.360 0.000 1.033 185 Y CB 2.375 40.556 38.460 -0.465 0.000 1.259 185 Y HN 0.556 8.836 8.280 -0.000 0.000 0.461 186 G N 1.402 109.947 108.800 -0.425 0.000 2.495 186 G HA2 0.678 4.634 3.960 -0.007 0.000 0.318 186 G HA3 0.678 4.634 3.960 -0.007 0.000 0.318 186 G C -2.118 172.489 174.900 -0.488 0.000 1.257 186 G CA -0.627 44.234 45.100 -0.398 0.000 0.962 186 G HN 0.469 8.759 8.290 -0.000 0.000 0.483 187 Y N -0.772 119.531 120.300 0.005 0.000 2.638 187 Y HA 0.592 5.139 4.550 -0.006 0.000 0.335 187 Y C 0.158 176.064 175.900 0.009 0.000 1.155 187 Y CA -1.667 56.420 58.100 -0.022 0.000 1.046 187 Y CB 1.148 39.638 38.460 0.050 0.000 1.303 187 Y HN 0.497 8.777 8.280 -0.000 0.000 0.460 188 R N 0.341 120.964 120.500 0.206 0.000 2.490 188 R HA 0.586 4.922 4.340 -0.007 0.000 0.278 188 R C 0.835 177.243 176.300 0.182 0.000 1.069 188 R CA 0.099 56.293 56.100 0.156 0.000 1.080 188 R CB 1.134 31.506 30.300 0.120 0.000 1.030 188 R HN 0.988 9.258 8.270 -0.000 0.000 0.491 189 A N 2.699 125.592 122.820 0.121 0.000 1.917 189 A HA -0.166 4.150 4.320 -0.007 0.000 0.219 189 A C 2.162 179.796 177.584 0.083 0.000 1.182 189 A CA 2.045 54.144 52.037 0.104 0.000 0.633 189 A CB -1.087 17.991 19.000 0.130 0.000 0.819 189 A HN 0.934 9.084 8.150 -0.000 0.000 0.448 190 G N -1.807 107.053 108.800 0.101 0.000 2.432 190 G HA2 -0.182 3.774 3.960 -0.007 0.000 0.219 190 G HA3 -0.182 3.774 3.960 -0.007 0.000 0.219 190 G C 1.416 176.355 174.900 0.065 0.000 1.135 190 G CA 1.042 46.186 45.100 0.074 0.000 0.767 190 G HN 0.510 8.800 8.290 -0.000 0.000 0.550 191 F N 0.978 120.913 119.950 -0.025 0.000 2.146 191 F HA 0.022 4.545 4.527 -0.006 0.000 0.298 191 F C 2.347 178.037 175.800 -0.183 0.000 1.096 191 F CA 0.692 58.657 58.000 -0.058 0.000 1.275 191 F CB 0.055 39.066 39.000 0.019 0.000 1.008 191 F HN -0.012 8.288 8.300 -0.000 0.000 0.480 192 I N 0.676 121.167 120.570 -0.132 0.000 2.179 192 I HA -0.279 3.887 4.170 -0.007 0.000 0.242 192 I C 2.537 178.466 176.117 -0.314 0.000 1.088 192 I CA 1.397 62.487 61.300 -0.351 0.000 1.357 192 I CB -1.213 36.591 38.000 -0.327 0.000 1.051 192 I HN 0.180 8.390 8.210 -0.000 0.000 0.409 193 R N -0.004 120.374 120.500 -0.204 0.000 2.096 193 R HA -0.211 4.125 4.340 -0.007 0.000 0.240 193 R C 2.453 178.589 176.300 -0.273 0.000 1.139 193 R CA 1.771 57.765 56.100 -0.176 0.000 0.952 193 R CB -0.140 30.103 30.300 -0.094 0.000 0.854 193 R HN 0.348 8.618 8.270 -0.000 0.000 0.436 194 R N -1.028 119.246 120.500 -0.377 0.000 2.061 194 R HA -0.168 4.168 4.340 -0.007 0.000 0.230 194 R C 2.224 177.915 176.300 -1.015 0.000 1.140 194 R CA 1.748 57.531 56.100 -0.529 0.000 0.940 194 R CB -0.687 29.342 30.300 -0.452 0.000 0.839 194 R HN 0.267 8.537 8.270 -0.000 0.000 0.429 195 Y N 1.626 121.022 120.300 -1.507 0.000 2.096 195 Y HA -0.331 4.215 4.550 -0.006 0.000 0.276 195 Y C 2.052 177.347 175.900 -1.008 0.000 1.209 195 Y CA 2.126 59.152 58.100 -1.791 0.000 1.137 195 Y CB -0.241 37.425 38.460 -1.324 0.000 0.956 195 Y HN -0.004 8.276 8.280 -0.000 0.000 0.506 196 V N -2.095 117.564 119.914 -0.425 0.000 3.041 196 V HA -0.116 4.000 4.120 -0.007 0.000 0.260 196 V C 1.583 177.535 176.094 -0.236 0.000 1.105 196 V CA 1.800 63.967 62.300 -0.222 0.000 1.125 196 V CB -0.610 31.151 31.823 -0.102 0.000 0.730 196 V HN 0.384 8.574 8.190 -0.000 0.000 0.479 197 N N -0.933 117.588 118.700 -0.299 0.000 2.494 197 N HA -0.006 4.730 4.740 -0.007 0.000 0.182 197 N C 0.157 175.639 175.510 -0.048 0.000 1.076 197 N CA 0.311 53.268 53.050 -0.155 0.000 0.908 197 N CB -0.195 38.219 38.487 -0.122 0.000 0.967 197 N HN 0.584 8.964 8.380 -0.000 0.000 0.449 198 W N 2.379 123.486 121.300 -0.322 0.000 2.251 198 W HA 0.187 4.843 4.660 -0.007 0.000 0.327 198 W C 1.095 177.492 176.519 -0.204 0.000 1.361 198 W CA -1.111 56.000 57.345 -0.391 0.000 1.234 198 W CB -0.680 28.350 29.460 -0.718 0.000 1.212 198 W HN 0.032 8.212 8.180 -0.000 0.000 0.557 199 Q N 4.451 124.336 119.800 0.142 0.000 2.310 199 Q HA -0.020 4.316 4.340 -0.007 0.000 0.315 199 Q C -1.987 174.125 176.000 0.187 0.000 1.081 199 Q CA -0.402 55.484 55.803 0.139 0.000 0.981 199 Q CB 0.241 29.078 28.738 0.164 0.000 1.184 199 Q HN 0.056 8.326 8.270 -0.000 0.000 0.389 200 P HA 0.053 4.473 4.420 -0.000 0.000 0.272 200 P C -1.290 175.933 177.300 -0.128 0.000 1.230 200 P CA -0.271 62.822 63.100 -0.012 0.000 0.788 200 P CB 0.901 32.528 31.700 -0.121 0.000 0.949 201 S N 0.716 116.248 115.700 -0.280 0.000 2.617 201 S HA 0.449 4.915 4.470 -0.007 0.000 0.283 201 S C -1.964 172.241 174.600 -0.659 0.000 1.189 201 S CA -1.312 56.421 58.200 -0.778 0.000 1.036 201 S CB 0.920 63.405 63.200 -1.191 0.000 1.014 201 S HN 0.202 8.512 8.310 -0.000 0.000 0.522 202 P HA -0.002 4.418 4.420 -0.000 0.000 0.218 202 P C 1.523 178.630 177.300 -0.321 0.000 1.149 202 P CA 0.577 63.398 63.100 -0.464 0.000 0.817 202 P CB 0.017 31.462 31.700 -0.425 0.000 0.785 203 L N 0.281 121.247 121.223 -0.427 0.000 2.012 203 L HA -0.235 4.101 4.340 -0.007 0.000 0.210 203 L C 2.687 179.539 176.870 -0.029 0.000 1.073 203 L CA 2.019 56.773 54.840 -0.143 0.000 0.748 203 L CB -0.819 41.210 42.059 -0.049 0.000 0.891 203 L HN 0.128 8.358 8.230 -0.000 0.000 0.431 204 E N -1.270 118.900 120.200 -0.049 0.000 2.110 204 E HA -0.298 4.048 4.350 -0.007 0.000 0.193 204 E C 1.883 178.572 176.600 0.147 0.000 0.988 204 E CA 1.599 58.039 56.400 0.067 0.000 0.804 204 E CB -0.380 29.373 29.700 0.089 0.000 0.745 204 E HN 0.538 8.898 8.360 -0.000 0.000 0.458 205 H N 0.362 119.399 119.070 -0.054 0.000 2.470 205 H HA 0.142 4.694 4.556 -0.007 0.000 0.289 205 H C 1.894 177.211 175.328 -0.018 0.000 1.033 205 H CA 0.966 56.994 56.048 -0.032 0.000 1.331 205 H CB 0.022 29.757 29.762 -0.045 0.000 1.414 205 H HN 0.209 8.489 8.280 -0.000 0.000 0.545 206 I N 0.077 120.702 120.570 0.090 0.000 2.133 206 I HA -0.173 3.993 4.170 -0.007 0.000 0.238 206 I C 2.045 178.196 176.117 0.057 0.000 1.074 206 I CA 1.271 62.606 61.300 0.059 0.000 1.342 206 I CB -0.023 38.008 38.000 0.050 0.000 1.053 206 I HN 0.186 8.396 8.210 -0.000 0.000 0.404 207 E N 0.330 120.572 120.200 0.069 0.000 2.358 207 E HA -0.052 4.294 4.350 -0.007 0.000 0.195 207 E C 0.559 177.184 176.600 0.042 0.000 1.010 207 E CA 0.278 56.718 56.400 0.066 0.000 0.856 207 E CB 0.233 29.978 29.700 0.076 0.000 0.795 207 E HN 0.344 8.704 8.360 -0.000 0.000 0.504 208 M N -0.203 119.414 119.600 0.029 0.000 2.360 208 M HA -0.223 4.253 4.480 -0.007 0.000 0.202 208 M C -0.856 175.462 176.300 0.030 0.000 0.390 208 M CA 0.911 56.215 55.300 0.007 0.000 0.470 208 M CB -2.175 30.416 32.600 -0.015 0.000 1.637 208 M HN 0.012 8.302 8.290 -0.000 0.000 0.885 209 L N -0.602 120.648 121.223 0.044 0.000 2.415 209 L HA 0.298 4.634 4.340 -0.007 0.000 0.268 209 L C 1.377 178.281 176.870 0.056 0.000 0.984 209 L CA -0.325 54.537 54.840 0.036 0.000 0.853 209 L CB 1.721 43.780 42.059 -0.001 0.000 1.215 209 L HN 0.223 8.453 8.230 -0.000 0.000 0.419 210 E N 2.070 122.315 120.200 0.075 0.000 2.160 210 E HA -0.232 4.114 4.350 -0.007 0.000 0.195 210 E C 1.688 178.376 176.600 0.148 0.000 0.991 210 E CA 1.423 57.897 56.400 0.123 0.000 0.810 210 E CB 0.360 30.133 29.700 0.121 0.000 0.742 210 E HN 0.734 9.094 8.360 -0.000 0.000 0.466 211 Q N 0.379 120.198 119.800 0.033 0.000 2.291 211 Q HA -0.178 4.158 4.340 -0.007 0.000 0.206 211 Q C 2.028 178.097 176.000 0.115 0.000 0.976 211 Q CA 0.979 56.779 55.803 -0.005 0.000 0.875 211 Q CB -0.411 28.149 28.738 -0.297 0.000 0.927 211 Q HN 0.414 8.684 8.270 -0.000 0.000 0.450 212 L N 0.573 121.868 121.223 0.120 0.000 2.275 212 L HA -0.047 4.289 4.340 -0.007 0.000 0.215 212 L C 2.862 179.928 176.870 0.326 0.000 1.119 212 L CA 0.802 55.781 54.840 0.232 0.000 0.790 212 L CB -0.437 41.733 42.059 0.185 0.000 0.919 212 L HN 0.223 8.453 8.230 -0.000 0.000 0.443 213 R N 0.124 120.820 120.500 0.327 0.000 2.103 213 R HA -0.182 4.154 4.340 -0.007 0.000 0.242 213 R C 2.149 178.833 176.300 0.641 0.000 1.142 213 R CA 1.768 58.124 56.100 0.428 0.000 0.960 213 R CB -0.190 30.330 30.300 0.366 0.000 0.858 213 R HN 0.186 8.456 8.270 -0.000 0.000 0.439 214 V N 1.285 121.605 119.914 0.676 0.000 2.261 214 V HA -0.265 3.851 4.120 -0.007 0.000 0.246 214 V C 2.353 178.763 176.094 0.526 0.000 1.047 214 V CA 1.853 64.605 62.300 0.753 0.000 1.015 214 V CB -0.440 31.811 31.823 0.714 0.000 0.642 214 V HN 0.336 8.526 8.190 -0.000 0.000 0.446 215 L N -0.851 120.637 121.223 0.442 0.000 2.141 215 L HA -0.166 4.170 4.340 -0.007 0.000 0.209 215 L C 2.438 179.474 176.870 0.278 0.000 1.094 215 L CA 1.658 56.705 54.840 0.346 0.000 0.763 215 L CB -0.651 41.630 42.059 0.370 0.000 0.908 215 L HN 0.566 8.796 8.230 -0.000 0.000 0.437 216 W N 0.744 122.105 121.300 0.101 0.000 2.342 216 W HA -0.257 4.398 4.660 -0.007 0.000 0.297 216 W C 1.591 177.959 176.519 -0.252 0.000 1.213 216 W CA 1.335 58.624 57.345 -0.093 0.000 1.251 216 W CB -0.287 29.067 29.460 -0.176 0.000 1.136 216 W HN 0.163 8.343 8.180 -0.000 0.000 0.526 217 Y N 0.674 120.954 120.300 -0.034 0.000 2.471 217 Y HA 0.218 4.764 4.550 -0.007 0.000 0.286 217 Y C 2.010 177.773 175.900 -0.228 0.000 1.188 217 Y CA 1.203 59.113 58.100 -0.316 0.000 1.286 217 Y CB -0.395 37.656 38.460 -0.682 0.000 1.072 217 Y HN 0.162 8.442 8.280 -0.000 0.000 0.517 218 G N -0.073 108.725 108.800 -0.003 0.000 2.136 218 G HA2 -0.227 3.730 3.960 -0.007 0.000 0.242 218 G HA3 -0.227 3.730 3.960 -0.007 0.000 0.242 218 G C 0.049 175.003 174.900 0.090 0.000 0.989 218 G CA -0.074 45.029 45.100 0.005 0.000 0.682 218 G HN 0.294 8.584 8.290 -0.000 0.000 0.522 219 E N -0.091 120.229 120.200 0.201 0.000 2.254 219 E HA 0.536 4.882 4.350 -0.007 0.000 0.261 219 E C 0.182 176.932 176.600 0.251 0.000 1.051 219 E CA -0.529 56.037 56.400 0.277 0.000 0.902 219 E CB 1.227 31.240 29.700 0.522 0.000 1.168 219 E HN 0.326 8.686 8.360 -0.000 0.000 0.423 220 K N 1.041 121.560 120.400 0.198 0.000 2.203 220 K HA 0.578 4.894 4.320 -0.007 0.000 0.251 220 K C -0.338 176.418 176.600 0.260 0.000 0.944 220 K CA -0.580 55.809 56.287 0.170 0.000 0.829 220 K CB 1.417 33.888 32.500 -0.048 0.000 1.125 220 K HN 0.343 8.593 8.250 -0.000 0.000 0.430 221 I N 2.106 122.889 120.570 0.355 0.000 2.439 221 I HA 0.160 4.326 4.170 -0.007 0.000 0.285 221 I C -0.114 176.229 176.117 0.376 0.000 1.021 221 I CA -0.763 60.747 61.300 0.350 0.000 1.091 221 I CB 1.415 39.650 38.000 0.391 0.000 1.242 221 I HN 0.551 8.761 8.210 -0.000 0.000 0.439 222 H N 6.247 125.434 119.070 0.195 0.000 2.582 222 H HA 0.478 5.030 4.556 -0.007 0.000 0.345 222 H C -1.357 173.948 175.328 -0.038 0.000 1.104 222 H CA -0.178 55.832 56.048 -0.063 0.000 1.390 222 H CB 1.723 31.375 29.762 -0.184 0.000 1.461 222 H HN 0.288 8.568 8.280 -0.000 0.000 0.551 223 V N 4.310 123.813 119.914 -0.684 0.000 2.482 223 V HA 0.418 4.534 4.120 -0.007 0.000 0.295 223 V C -0.089 175.714 176.094 -0.484 0.000 1.026 223 V CA -0.750 61.325 62.300 -0.374 0.000 0.856 223 V CB 1.025 32.715 31.823 -0.222 0.000 1.001 223 V HN 0.902 9.092 8.190 -0.000 0.000 0.424 224 A N 4.344 127.025 122.820 -0.232 0.000 2.306 224 A HA 0.844 5.160 4.320 -0.007 0.000 0.330 224 A C -0.310 177.219 177.584 -0.092 0.000 1.146 224 A CA -0.598 51.361 52.037 -0.130 0.000 0.827 224 A CB 1.430 20.417 19.000 -0.021 0.000 1.178 224 A HN 0.642 8.792 8.150 -0.000 0.000 0.490 225 V N 1.898 121.768 119.914 -0.073 0.000 2.521 225 V HA 0.353 4.469 4.120 -0.007 0.000 0.286 225 V C 1.128 177.193 176.094 -0.049 0.000 1.034 225 V CA 0.143 62.409 62.300 -0.057 0.000 1.045 225 V CB 0.664 32.459 31.823 -0.045 0.000 0.974 225 V HN 1.106 9.296 8.190 -0.000 0.000 0.480 226 A N 4.768 127.557 122.820 -0.052 0.000 2.548 226 A HA 0.112 4.428 4.320 -0.007 0.000 0.247 226 A C 1.213 178.773 177.584 -0.040 0.000 1.067 226 A CA 0.130 52.136 52.037 -0.052 0.000 0.757 226 A CB -0.010 18.954 19.000 -0.060 0.000 0.996 226 A HN 1.016 9.166 8.150 -0.000 0.000 0.504 227 Q N 1.144 120.922 119.800 -0.037 0.000 2.482 227 Q HA 0.087 4.423 4.340 -0.007 0.000 0.209 227 Q C 0.106 176.093 176.000 -0.022 0.000 0.961 227 Q CA 1.228 57.015 55.803 -0.027 0.000 0.945 227 Q CB 0.051 28.773 28.738 -0.025 0.000 1.012 227 Q HN 0.780 9.050 8.270 -0.000 0.000 0.515 228 E N -0.175 120.009 120.200 -0.027 0.000 2.481 228 E HA 0.235 4.581 4.350 -0.007 0.000 0.301 228 E C -1.784 174.799 176.600 -0.029 0.000 0.948 228 E CA -0.512 55.874 56.400 -0.022 0.000 0.804 228 E CB 1.973 31.661 29.700 -0.020 0.000 1.265 228 E HN 0.072 8.432 8.360 -0.000 0.000 0.406 229 V N 6.072 125.970 119.914 -0.026 0.000 2.427 229 V HA 0.309 4.425 4.120 -0.007 0.000 0.268 229 V C -1.661 174.413 176.094 -0.033 0.000 1.046 229 V CA -0.934 61.346 62.300 -0.033 0.000 0.970 229 V CB 0.405 32.211 31.823 -0.029 0.000 1.001 229 V HN 0.592 8.782 8.190 -0.000 0.000 0.476 230 P HA 0.315 4.735 4.420 -0.000 0.000 0.276 230 P C 0.215 177.493 177.300 -0.037 0.000 1.244 230 P CA -0.117 62.959 63.100 -0.040 0.000 0.801 230 P CB 0.870 32.539 31.700 -0.051 0.000 1.006 231 G N 0.537 109.317 108.800 -0.033 0.000 2.606 231 G HA2 0.263 4.219 3.960 -0.007 0.000 0.252 231 G HA3 0.263 4.219 3.960 -0.007 0.000 0.252 231 G C -0.210 174.668 174.900 -0.036 0.000 1.206 231 G CA -0.256 44.825 45.100 -0.031 0.000 0.861 231 G HN 0.463 8.753 8.290 -0.000 0.000 0.561 232 T N 0.416 114.951 114.554 -0.033 0.000 2.932 232 T HA 0.398 4.744 4.350 -0.007 0.000 0.312 232 T C 1.282 175.961 174.700 -0.034 0.000 1.071 232 T CA 0.548 62.628 62.100 -0.033 0.000 1.128 232 T CB 0.886 69.737 68.868 -0.028 0.000 0.984 232 T HN 0.762 9.002 8.240 -0.000 0.000 0.549 233 G N 0.723 109.503 108.800 -0.034 0.000 2.712 233 G HA2 0.355 4.311 3.960 -0.007 0.000 0.258 233 G HA3 0.355 4.311 3.960 -0.007 0.000 0.258 233 G C -0.479 174.403 174.900 -0.030 0.000 1.241 233 G CA -0.608 44.473 45.100 -0.031 0.000 0.923 233 G HN 0.637 8.927 8.290 -0.000 0.000 0.548 234 V N 1.297 121.193 119.914 -0.030 0.000 2.259 234 V HA 0.230 4.346 4.120 -0.007 0.000 0.267 234 V C -0.338 175.738 176.094 -0.030 0.000 1.051 234 V CA -0.356 61.925 62.300 -0.033 0.000 0.830 234 V CB 1.019 32.819 31.823 -0.039 0.000 1.080 234 V HN 0.707 8.897 8.190 -0.000 0.000 0.467 235 D N 1.736 122.120 120.400 -0.027 0.000 2.454 235 D HA 0.110 4.746 4.640 -0.007 0.000 0.214 235 D C 1.073 177.357 176.300 -0.027 0.000 1.088 235 D CA 0.601 54.587 54.000 -0.025 0.000 0.855 235 D CB 1.227 42.017 40.800 -0.017 0.000 1.025 235 D HN 0.660 9.030 8.370 -0.000 0.000 0.502 236 T N -2.757 111.781 114.554 -0.027 0.000 2.901 236 T HA 0.415 4.761 4.350 -0.007 0.000 0.293 236 T C -2.413 172.270 174.700 -0.028 0.000 1.084 236 T CA -1.836 60.249 62.100 -0.025 0.000 1.008 236 T CB 2.751 71.607 68.868 -0.020 0.000 1.170 236 T HN -0.400 7.840 8.240 -0.000 0.000 0.509 237 P HA -0.104 4.316 4.420 -0.000 0.000 0.216 237 P C 1.210 178.495 177.300 -0.024 0.000 1.150 237 P CA 1.290 64.375 63.100 -0.026 0.000 0.837 237 P CB -0.009 31.677 31.700 -0.022 0.000 0.786 238 E N -0.116 120.071 120.200 -0.021 0.000 2.058 238 E HA -0.219 4.127 4.350 -0.007 0.000 0.194 238 E C 1.576 178.162 176.600 -0.024 0.000 0.997 238 E CA 1.333 57.721 56.400 -0.020 0.000 0.801 238 E CB -1.167 28.523 29.700 -0.017 0.000 0.746 238 E HN 0.235 8.595 8.360 -0.000 0.000 0.450 239 D N 0.663 121.048 120.400 -0.025 0.000 2.144 239 D HA -0.131 4.505 4.640 -0.007 0.000 0.199 239 D C 1.992 178.270 176.300 -0.036 0.000 0.984 239 D CA 0.733 54.715 54.000 -0.029 0.000 0.834 239 D CB -0.189 40.593 40.800 -0.030 0.000 0.955 239 D HN 0.115 8.485 8.370 -0.000 0.000 0.465 240 L N 1.197 122.398 121.223 -0.036 0.000 2.056 240 L HA -0.146 4.190 4.340 -0.007 0.000 0.207 240 L C 2.141 178.987 176.870 -0.039 0.000 1.078 240 L CA 1.720 56.535 54.840 -0.041 0.000 0.749 240 L CB -0.483 41.554 42.059 -0.038 0.000 0.901 240 L HN -0.197 8.033 8.230 -0.000 0.000 0.433 241 E N -0.126 120.055 120.200 -0.031 0.000 2.077 241 E HA -0.255 4.091 4.350 -0.007 0.000 0.193 241 E C 2.428 179.010 176.600 -0.030 0.000 0.989 241 E CA 1.499 57.882 56.400 -0.028 0.000 0.800 241 E CB -0.242 29.445 29.700 -0.022 0.000 0.746 241 E HN 0.426 8.786 8.360 -0.000 0.000 0.452 242 R N -0.331 120.151 120.500 -0.030 0.000 2.097 242 R HA -0.141 4.195 4.340 -0.007 0.000 0.236 242 R C 2.209 178.485 176.300 -0.039 0.000 1.135 242 R CA 1.978 58.060 56.100 -0.030 0.000 0.934 242 R CB -0.575 29.708 30.300 -0.029 0.000 0.846 242 R HN 0.167 8.437 8.270 -0.000 0.000 0.431 243 V N 1.052 120.936 119.914 -0.049 0.000 2.407 243 V HA -0.199 3.917 4.120 -0.007 0.000 0.248 243 V C 2.480 178.526 176.094 -0.079 0.000 1.055 243 V CA 1.893 64.152 62.300 -0.069 0.000 1.049 243 V CB -0.543 31.231 31.823 -0.083 0.000 0.662 243 V HN 0.387 8.577 8.190 -0.000 0.000 0.455 244 R N 0.009 120.469 120.500 -0.066 0.000 2.096 244 R HA -0.127 4.209 4.340 -0.007 0.000 0.235 244 R C 2.265 178.539 176.300 -0.043 0.000 1.127 244 R CA 1.572 57.637 56.100 -0.058 0.000 0.968 244 R CB -0.442 29.834 30.300 -0.041 0.000 0.861 244 R HN 0.535 8.805 8.270 -0.000 0.000 0.440 245 A N 0.418 123.217 122.820 -0.035 0.000 2.123 245 A HA -0.054 4.262 4.320 -0.007 0.000 0.214 245 A C 1.541 179.110 177.584 -0.026 0.000 1.152 245 A CA 0.767 52.789 52.037 -0.025 0.000 0.728 245 A CB 0.047 19.034 19.000 -0.021 0.000 0.814 245 A HN 0.261 8.411 8.150 -0.000 0.000 0.464 246 E N -0.979 119.200 120.200 -0.034 0.000 2.340 246 E HA 0.137 4.483 4.350 -0.007 0.000 0.194 246 E C 0.439 177.019 176.600 -0.033 0.000 0.996 246 E CA 0.086 56.467 56.400 -0.031 0.000 0.869 246 E CB 0.098 29.778 29.700 -0.034 0.000 0.835 246 E HN 0.612 8.972 8.360 -0.000 0.000 0.493 247 M N 0.000 119.571 119.600 -0.048 0.000 2.572 247 M HA 0.000 4.476 4.480 -0.007 0.000 0.227 247 M CA 0.000 55.274 55.300 -0.044 0.000 0.988 247 M CB 0.000 32.538 32.600 -0.103 0.000 1.302 247 M HN 0.000 8.290 8.290 -0.000 0.000 0.411