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 1ysi_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSMAMSQSNR ELVVDFLSYK LSQKGYSWSQ FSDVEENRTE APEGTESEXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXAV KQALREAGDE DATA SEQUENCE FELRYRRAFS DLTSQLHITP GTAYQSFEQV VNELFRDGVN WGRIVAFFSF DATA SEQUENCE GGALCVESVD KEMQVLVSRI AAWMATYLND HLEPWIQENG GWDTFVELYG DATA SEQUENCE NNAAAESRKG QERLEHHHHH H VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.484 4.480 0.006 0.000 0.227 1 M C 0.000 176.306 176.300 0.010 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 S N 0.623 116.331 115.700 0.013 0.000 2.527 2 S HA 0.210 4.689 4.470 0.015 0.000 0.227 2 S C -0.244 174.369 174.600 0.022 0.000 1.059 2 S CA 1.233 59.444 58.200 0.018 0.000 0.919 2 S CB 0.634 63.847 63.200 0.021 0.000 0.805 2 S HN 0.085 8.403 8.310 0.013 0.000 0.500 3 M N -1.163 118.450 119.600 0.022 0.000 2.176 3 M HA -0.338 4.158 4.480 0.026 0.000 0.186 3 M C -2.121 174.201 176.300 0.037 0.000 0.619 3 M CA -0.087 55.229 55.300 0.026 0.000 0.438 3 M CB -3.429 29.183 32.600 0.020 0.000 1.020 3 M HN -0.250 8.052 8.290 0.019 0.000 0.920 4 A N -1.964 120.886 122.820 0.049 0.000 2.325 4 A HA -0.152 4.204 4.320 0.060 0.000 0.260 4 A C 1.007 178.643 177.584 0.086 0.000 1.133 4 A CA 0.344 52.423 52.037 0.070 0.000 0.801 4 A CB 0.915 19.971 19.000 0.093 0.000 1.092 4 A HN -0.390 7.787 8.150 0.046 0.000 0.504 5 M N -4.944 114.726 119.600 0.117 0.000 2.612 5 M HA -0.314 4.264 4.480 0.163 0.000 0.194 5 M C 0.125 176.478 176.300 0.089 0.000 0.530 5 M CA 0.126 55.507 55.300 0.136 0.000 0.548 5 M CB -3.044 29.648 32.600 0.153 0.000 2.013 5 M HN 0.652 9.017 8.290 0.124 0.000 0.711 6 S N -2.198 113.541 115.700 0.065 0.000 2.425 6 S HA -0.111 4.386 4.470 0.045 0.000 0.225 6 S C 0.330 174.957 174.600 0.045 0.000 1.024 6 S CA 2.140 60.367 58.200 0.046 0.000 0.951 6 S CB 0.500 63.720 63.200 0.033 0.000 0.796 6 S HN 0.275 8.595 8.310 0.061 0.027 0.498 7 Q N -1.864 117.964 119.800 0.045 0.000 2.027 7 Q HA 0.049 4.420 4.340 0.050 0.000 0.230 7 Q C -1.743 174.278 176.000 0.036 0.000 0.830 7 Q CA 0.020 55.847 55.803 0.040 0.000 0.979 7 Q CB 0.973 29.726 28.738 0.024 0.000 1.289 7 Q HN -0.108 8.189 8.270 0.046 0.000 0.394 8 S N -0.800 114.929 115.700 0.049 0.000 2.552 8 S HA 0.242 4.707 4.470 -0.008 0.000 0.246 8 S C -0.694 173.948 174.600 0.070 0.000 1.019 8 S CA -0.072 58.140 58.200 0.019 0.000 1.045 8 S CB 0.338 63.526 63.200 -0.020 0.000 0.784 8 S HN 0.100 8.452 8.310 0.070 0.000 0.453 9 N N 0.703 119.469 118.700 0.110 0.000 2.677 9 N HA -0.015 4.871 4.740 0.243 0.000 0.242 9 N C 1.654 177.250 175.510 0.144 0.000 1.044 9 N CA 0.944 54.101 53.050 0.178 0.000 0.934 9 N CB 0.227 38.830 38.487 0.192 0.000 1.595 9 N HN -0.105 8.233 8.380 0.087 0.094 0.459 10 R N 2.604 123.164 120.500 0.099 0.000 2.083 10 R HA -0.260 4.134 4.340 0.091 0.000 0.237 10 R C 0.528 176.850 176.300 0.038 0.000 1.137 10 R CA 3.100 59.245 56.100 0.075 0.000 0.951 10 R CB -0.461 29.874 30.300 0.057 0.000 0.851 10 R HN 0.093 8.417 8.270 0.091 0.000 0.434 11 E N -2.192 118.014 120.200 0.010 0.000 2.437 11 E HA -0.021 4.262 4.350 -0.111 0.000 0.189 11 E C 1.581 178.159 176.600 -0.035 0.000 1.054 11 E CA -0.021 56.345 56.400 -0.058 0.000 0.874 11 E CB -0.115 29.542 29.700 -0.072 0.000 1.011 11 E HN -0.090 8.283 8.360 0.022 0.000 0.474 12 L N 0.634 121.893 121.223 0.059 0.000 2.127 12 L HA -0.125 4.229 4.340 0.023 0.000 0.203 12 L C 0.910 177.951 176.870 0.284 0.000 1.080 12 L CA 2.455 57.377 54.840 0.138 0.000 0.768 12 L CB 0.434 42.654 42.059 0.269 0.000 0.924 12 L HN -0.075 7.979 8.230 0.089 0.230 0.444 13 V N -1.126 118.942 119.914 0.257 0.000 2.548 13 V HA -0.352 4.059 4.120 0.484 0.000 0.249 13 V C 1.385 177.515 176.094 0.061 0.000 1.055 13 V CA 3.576 66.021 62.300 0.242 0.000 1.065 13 V CB 0.070 31.942 31.823 0.082 0.000 0.681 13 V HN -0.752 7.548 8.190 0.182 0.000 0.462 14 V N 0.064 119.879 119.914 -0.165 0.000 2.453 14 V HA -0.347 3.197 4.120 -0.961 0.000 0.247 14 V C 1.011 176.797 176.094 -0.512 0.000 1.048 14 V CA 3.180 65.063 62.300 -0.695 0.000 1.049 14 V CB -0.693 30.569 31.823 -0.936 0.000 0.672 14 V HN -0.518 7.594 8.190 -0.102 0.018 0.457 15 D N 0.403 120.661 120.400 -0.236 0.000 2.084 15 D HA -0.253 4.263 4.640 -0.207 0.000 0.194 15 D C 1.635 177.942 176.300 0.010 0.000 0.990 15 D CA 3.469 57.388 54.000 -0.135 0.000 0.826 15 D CB -0.190 40.561 40.800 -0.081 0.000 0.971 15 D HN -0.618 7.657 8.370 -0.158 0.000 0.453 16 F N 0.558 120.483 119.950 -0.042 0.000 2.186 16 F HA -0.321 4.236 4.527 0.050 0.000 0.299 16 F C 1.288 177.167 175.800 0.131 0.000 1.090 16 F CA 2.282 60.317 58.000 0.058 0.000 1.307 16 F CB 0.130 39.184 39.000 0.089 0.000 1.019 16 F HN -0.769 7.672 8.300 0.235 0.000 0.489 17 L N -1.199 120.012 121.223 -0.020 0.000 1.970 17 L HA -0.640 3.641 4.340 -0.098 0.000 0.212 17 L C 1.845 178.678 176.870 -0.062 0.000 1.071 17 L CA 3.701 58.516 54.840 -0.041 0.000 0.751 17 L CB -0.408 41.748 42.059 0.163 0.000 0.889 17 L HN 0.084 8.182 8.230 0.083 0.182 0.432 18 S N -1.578 114.064 115.700 -0.097 0.000 2.387 18 S HA -0.436 4.042 4.470 0.014 0.000 0.230 18 S C 2.051 176.625 174.600 -0.044 0.000 1.035 18 S CA 3.245 61.410 58.200 -0.058 0.000 1.014 18 S CB -0.108 63.002 63.200 -0.150 0.000 0.836 18 S HN -0.071 8.097 8.310 -0.238 0.000 0.466 19 Y N 0.998 121.192 120.300 -0.176 0.000 2.256 19 Y HA -0.356 4.142 4.550 -0.086 0.000 0.288 19 Y C 1.092 176.880 175.900 -0.188 0.000 1.155 19 Y CA 3.256 61.263 58.100 -0.155 0.000 1.203 19 Y CB 0.061 38.443 38.460 -0.130 0.000 0.980 19 Y HN -0.468 7.737 8.280 0.031 0.094 0.530 20 K N -2.230 117.967 120.400 -0.339 0.000 2.284 20 K HA -0.070 4.007 4.320 -0.404 0.000 0.198 20 K C 1.980 178.492 176.600 -0.147 0.000 1.048 20 K CA 1.580 57.673 56.287 -0.324 0.000 0.987 20 K CB 0.212 32.514 32.500 -0.331 0.000 0.800 20 K HN -0.521 7.419 8.250 -0.303 0.129 0.486 21 L N -0.179 121.010 121.223 -0.055 0.000 2.044 21 L HA -0.326 4.096 4.340 0.137 0.000 0.205 21 L C 1.398 178.313 176.870 0.075 0.000 1.075 21 L CA 3.264 58.160 54.840 0.094 0.000 0.747 21 L CB -0.090 42.075 42.059 0.177 0.000 0.903 21 L HN 0.295 8.384 8.230 -0.074 0.096 0.435 22 S N -1.704 113.993 115.700 -0.006 0.000 2.420 22 S HA -0.428 4.055 4.470 0.021 0.000 0.237 22 S C 2.208 176.776 174.600 -0.054 0.000 1.023 22 S CA 2.975 61.161 58.200 -0.022 0.000 0.991 22 S CB -0.294 62.874 63.200 -0.054 0.000 0.792 22 S HN 0.148 8.325 8.310 -0.036 0.111 0.488 23 Q N -0.810 118.924 119.800 -0.111 0.000 2.167 23 Q HA -0.197 4.073 4.340 -0.116 0.000 0.202 23 Q C 1.364 177.347 176.000 -0.028 0.000 0.970 23 Q CA 2.357 58.093 55.803 -0.110 0.000 0.855 23 Q CB 0.107 28.740 28.738 -0.175 0.000 0.911 23 Q HN -0.007 8.038 8.270 -0.155 0.133 0.438 24 K N -3.656 116.765 120.400 0.035 0.000 2.284 24 K HA -0.008 4.346 4.320 0.056 0.000 0.198 24 K C 0.535 177.165 176.600 0.051 0.000 1.048 24 K CA 0.200 56.546 56.287 0.097 0.000 0.987 24 K CB 1.421 34.071 32.500 0.249 0.000 0.800 24 K HN -0.228 7.906 8.250 0.047 0.144 0.486 25 G N -2.749 106.080 108.800 0.047 0.000 2.173 25 G HA2 -0.271 3.677 3.960 -0.021 0.000 0.174 25 G HA3 -0.271 3.628 3.960 -0.103 0.000 0.174 25 G C -0.366 174.470 174.900 -0.107 0.000 1.025 25 G CA 0.119 45.191 45.100 -0.046 0.000 0.706 25 G HN 0.085 8.339 8.290 0.087 0.089 0.499 26 Y N -1.095 119.262 120.300 0.095 0.000 2.524 26 Y HA -0.033 4.605 4.550 0.148 0.000 0.270 26 Y C 0.035 176.104 175.900 0.283 0.000 1.094 26 Y CA 0.420 58.644 58.100 0.207 0.000 1.276 26 Y CB 1.505 40.136 38.460 0.286 0.000 1.130 26 Y HN -0.754 7.696 8.280 0.285 0.000 0.536 27 S N -2.661 113.197 115.700 0.264 0.000 3.514 27 S HA -0.349 4.155 4.470 0.057 0.000 0.634 27 S C -0.775 173.726 174.600 -0.164 0.000 2.489 27 S CA 1.737 59.996 58.200 0.099 0.000 2.771 27 S CB 0.074 63.336 63.200 0.104 0.000 0.328 27 S HN -0.516 7.928 8.310 0.222 0.000 1.714 28 W N -1.190 119.822 121.300 -0.480 0.000 4.862 28 W HA 0.094 3.279 4.660 -2.458 0.000 0.164 28 W C 1.128 177.413 176.519 -0.390 0.000 1.072 28 W CA 1.412 58.161 57.345 -0.993 0.000 1.730 28 W CB 0.246 29.298 29.460 -0.680 0.000 0.542 28 W HN 0.251 8.435 8.180 0.007 0.000 1.046 29 S N 1.233 117.031 115.700 0.164 0.000 2.420 29 S HA -0.441 4.178 4.470 0.249 0.000 0.237 29 S C 0.656 175.312 174.600 0.094 0.000 1.023 29 S CA 3.043 61.339 58.200 0.160 0.000 0.991 29 S CB -0.325 62.942 63.200 0.111 0.000 0.792 29 S HN 0.056 8.461 8.310 0.159 0.000 0.488 30 Q N -1.763 118.104 119.800 0.112 0.000 2.425 30 Q HA -0.111 4.284 4.340 0.091 0.000 0.204 30 Q C 1.591 177.716 176.000 0.208 0.000 0.933 30 Q CA 1.400 57.287 55.803 0.140 0.000 0.939 30 Q CB -0.164 28.661 28.738 0.145 0.000 1.044 30 Q HN 0.060 8.367 8.270 0.109 0.029 0.513 31 F N 1.132 120.980 119.950 -0.171 0.000 1.997 31 F HA -0.206 4.198 4.527 -0.204 0.000 0.296 31 F C 1.287 176.953 175.800 -0.223 0.000 1.160 31 F CA 2.223 60.054 58.000 -0.282 0.000 1.176 31 F CB -0.017 38.605 39.000 -0.630 0.000 0.964 31 F HN 0.073 8.290 8.300 0.205 0.206 0.484 32 S N -4.201 111.496 115.700 -0.005 0.000 2.583 32 S HA 0.122 4.560 4.470 -0.053 0.000 0.239 32 S C -1.191 173.408 174.600 -0.001 0.000 0.966 32 S CA 0.019 58.198 58.200 -0.035 0.000 0.973 32 S CB 0.191 63.360 63.200 -0.052 0.000 0.794 32 S HN 0.051 8.339 8.310 -0.038 0.000 0.463 33 D N -0.603 119.809 120.400 0.020 0.000 3.955 33 D HA -0.436 4.225 4.640 0.036 0.000 0.142 33 D C -1.496 174.826 176.300 0.036 0.000 0.877 33 D CA 2.419 56.436 54.000 0.027 0.000 1.100 33 D CB -0.235 40.573 40.800 0.013 0.000 0.533 33 D HN -0.880 7.313 8.370 0.035 0.198 0.546 34 V N -3.540 116.391 119.914 0.029 0.000 3.471 34 V HA -0.276 3.861 4.120 0.028 0.000 0.497 34 V C -1.946 174.169 176.094 0.036 0.000 0.682 34 V CA 0.404 62.725 62.300 0.035 0.000 2.046 34 V CB 0.404 32.257 31.823 0.049 0.000 2.481 34 V HN -0.223 7.980 8.190 0.021 0.000 0.506 35 E N 3.913 124.131 120.200 0.030 0.000 2.458 35 E HA -0.086 4.278 4.350 0.023 0.000 0.264 35 E C -0.062 176.557 176.600 0.031 0.000 1.097 35 E CA 0.585 57.001 56.400 0.026 0.000 0.973 35 E CB 0.629 30.342 29.700 0.021 0.000 0.963 35 E HN 0.064 8.440 8.360 0.027 0.000 0.451 36 E N 3.538 123.754 120.200 0.026 0.000 2.207 36 E HA 0.203 4.572 4.350 0.032 0.000 0.250 36 E C -0.411 176.200 176.600 0.019 0.000 0.890 36 E CA -0.877 55.539 56.400 0.027 0.000 0.749 36 E CB 0.146 29.863 29.700 0.028 0.000 1.193 36 E HN 0.188 8.562 8.360 0.022 0.000 0.423 37 N N 5.932 124.642 118.700 0.017 0.000 1.997 37 N HA -0.319 4.428 4.740 0.011 0.000 0.198 37 N C 0.566 176.081 175.510 0.009 0.000 1.070 37 N CA 2.724 55.781 53.050 0.012 0.000 0.864 37 N CB 0.376 38.868 38.487 0.009 0.000 1.066 37 N HN 0.622 9.013 8.380 0.020 0.000 0.425 38 R N -4.737 115.768 120.500 0.007 0.000 3.720 38 R HA -0.049 4.295 4.340 0.007 0.000 0.030 38 R C -1.811 174.490 176.300 0.001 0.000 0.818 38 R CA 0.330 56.433 56.100 0.005 0.000 2.884 38 R CB 1.243 31.545 30.300 0.004 0.000 0.974 38 R HN -0.360 7.914 8.270 0.007 0.000 0.518 39 T N 0.357 114.910 114.554 -0.001 0.000 3.803 39 T HA -0.217 4.129 4.350 -0.006 0.000 0.386 39 T C -0.139 174.558 174.700 -0.005 0.000 0.761 39 T CA 1.209 63.305 62.100 -0.005 0.000 2.046 39 T CB -1.078 67.785 68.868 -0.009 0.000 1.764 39 T HN 0.124 8.510 8.240 -0.000 -0.146 0.798 40 E N 1.794 121.992 120.200 -0.003 0.000 2.011 40 E HA -0.082 4.266 4.350 -0.003 0.000 0.191 40 E C 0.089 176.687 176.600 -0.005 0.000 0.980 40 E CA 1.685 58.083 56.400 -0.003 0.000 0.814 40 E CB 0.460 30.159 29.700 -0.002 0.000 0.775 40 E HN 0.210 8.568 8.360 -0.003 0.000 0.454 41 A N -1.411 121.406 122.820 -0.005 0.000 3.453 41 A HA 0.320 4.636 4.320 -0.007 0.000 0.262 41 A C -1.797 175.783 177.584 -0.006 0.000 1.026 41 A CA -1.097 50.936 52.037 -0.006 0.000 0.938 41 A CB -0.001 18.997 19.000 -0.005 0.000 1.246 41 A HN -0.364 7.783 8.150 -0.004 0.000 0.546 42 P HA -0.113 4.303 4.420 -0.006 0.000 0.222 42 P C 0.445 177.740 177.300 -0.009 0.000 1.153 42 P CA 0.109 63.204 63.100 -0.008 0.000 0.798 42 P CB 0.604 32.298 31.700 -0.010 0.000 0.796 43 E N -1.877 118.316 120.200 -0.011 0.000 3.979 43 E HA -0.466 3.876 4.350 -0.013 0.000 0.208 43 E C 1.239 177.831 176.600 -0.014 0.000 1.230 43 E CA 1.466 57.859 56.400 -0.012 0.000 2.178 43 E CB -0.975 28.719 29.700 -0.010 0.000 1.846 43 E HN 0.165 8.492 8.360 -0.012 0.026 0.311 44 G N 0.688 109.481 108.800 -0.012 0.000 5.431 44 G HA2 -0.397 3.557 3.960 -0.010 0.000 0.322 44 G HA3 -0.397 3.555 3.960 -0.014 0.000 0.322 44 G C 0.301 175.193 174.900 -0.013 0.000 1.370 44 G CA 1.423 46.516 45.100 -0.012 0.000 0.963 44 G HN 0.086 8.359 8.290 -0.010 0.011 0.797 45 T N 2.499 117.043 114.554 -0.017 0.000 3.647 45 T HA -0.008 4.333 4.350 -0.015 0.000 0.301 45 T C -0.535 174.151 174.700 -0.023 0.000 0.876 45 T CA 0.055 62.144 62.100 -0.017 0.000 1.051 45 T CB 1.159 70.017 68.868 -0.016 0.000 1.154 45 T HN -0.035 8.161 8.240 -0.019 0.032 0.547 46 E N -0.208 119.975 120.200 -0.029 0.000 2.282 46 E HA -0.385 3.939 4.350 -0.044 0.000 0.228 46 E C -0.613 175.964 176.600 -0.038 0.000 1.314 46 E CA 1.183 57.561 56.400 -0.036 0.000 0.716 46 E CB -1.946 27.735 29.700 -0.032 0.000 1.167 46 E HN 0.079 8.422 8.360 -0.028 0.000 0.372 47 S N -1.326 114.352 115.700 -0.037 0.000 2.449 47 S HA 0.038 4.487 4.470 -0.036 0.000 0.237 47 S C -0.159 174.414 174.600 -0.046 0.000 1.214 47 S CA -0.315 57.864 58.200 -0.036 0.000 1.226 47 S CB 0.165 63.350 63.200 -0.025 0.000 0.904 47 S HN -0.307 7.960 8.310 -0.034 0.022 0.490 90 V N 1.515 121.339 119.914 -0.151 0.000 2.282 90 V HA -0.519 3.643 4.120 0.069 0.000 0.249 90 V C 1.089 177.013 176.094 -0.282 0.000 1.057 90 V CA 2.487 64.640 62.300 -0.245 0.000 1.032 90 V CB -0.343 30.971 31.823 -0.848 0.000 0.645 90 V HN 0.048 8.132 8.190 -0.176 0.000 0.447 91 K N -2.746 117.472 120.400 -0.304 0.000 2.160 91 K HA -0.454 3.659 4.320 -0.344 0.000 0.206 91 K C 2.085 178.554 176.600 -0.219 0.000 1.047 91 K CA 3.209 59.333 56.287 -0.272 0.000 0.930 91 K CB -0.598 31.780 32.500 -0.203 0.000 0.720 91 K HN 0.309 8.382 8.250 -0.295 0.000 0.450 92 Q N -1.475 118.228 119.800 -0.162 0.000 1.990 92 Q HA -0.273 3.976 4.340 -0.151 0.000 0.200 92 Q C 2.078 178.016 176.000 -0.104 0.000 0.980 92 Q CA 2.887 58.612 55.803 -0.130 0.000 0.832 92 Q CB -0.099 28.581 28.738 -0.097 0.000 0.897 92 Q HN -0.457 7.582 8.270 -0.150 0.141 0.427 93 A N 0.345 123.125 122.820 -0.066 0.000 1.865 93 A HA -0.290 3.980 4.320 -0.082 0.000 0.217 93 A C 2.296 179.894 177.584 0.024 0.000 1.191 93 A CA 3.025 55.041 52.037 -0.035 0.000 0.623 93 A CB -0.718 18.227 19.000 -0.093 0.000 0.826 93 A HN -0.504 7.612 8.150 -0.057 0.000 0.444 94 L N -2.817 118.398 121.223 -0.014 0.000 2.189 94 L HA -0.331 3.938 4.340 -0.119 0.000 0.214 94 L C 1.988 178.641 176.870 -0.362 0.000 1.097 94 L CA 3.163 57.836 54.840 -0.279 0.000 0.764 94 L CB -0.769 40.872 42.059 -0.697 0.000 0.900 94 L HN 0.139 8.374 8.230 0.008 0.000 0.436 95 R N -0.898 119.471 120.500 -0.219 0.000 2.064 95 R HA -0.414 4.000 4.340 0.123 0.000 0.228 95 R C 2.328 178.672 176.300 0.073 0.000 1.144 95 R CA 3.681 59.744 56.100 -0.060 0.000 0.932 95 R CB -0.203 29.971 30.300 -0.210 0.000 0.833 95 R HN -0.565 7.434 8.270 -0.197 0.153 0.429 96 E N -1.013 119.207 120.200 0.034 0.000 2.118 96 E HA -0.368 4.049 4.350 0.110 0.000 0.195 96 E C 2.154 178.825 176.600 0.118 0.000 0.992 96 E CA 2.912 59.359 56.400 0.079 0.000 0.804 96 E CB -0.103 29.617 29.700 0.034 0.000 0.741 96 E HN -0.622 7.726 8.360 -0.019 0.000 0.458 97 A N -1.034 121.849 122.820 0.105 0.000 1.883 97 A HA -0.272 4.158 4.320 0.182 0.000 0.217 97 A C 2.307 180.053 177.584 0.270 0.000 1.186 97 A CA 3.208 55.351 52.037 0.177 0.000 0.624 97 A CB -0.914 18.191 19.000 0.174 0.000 0.822 97 A HN 0.611 8.780 8.150 0.056 0.014 0.444 98 G N -3.678 105.267 108.800 0.240 0.000 2.485 98 G HA2 -0.327 3.879 3.960 0.411 0.000 0.221 98 G HA3 -0.327 3.915 3.960 0.470 0.000 0.221 98 G C 0.574 175.657 174.900 0.306 0.000 1.115 98 G CA 1.832 47.149 45.100 0.362 0.000 0.751 98 G HN -0.318 8.051 8.290 0.131 0.000 0.567 99 D N 0.166 120.718 120.400 0.254 0.000 2.320 99 D HA 0.075 4.821 4.640 0.178 0.000 0.228 99 D C 1.903 178.307 176.300 0.174 0.000 0.978 99 D CA 1.513 55.628 54.000 0.192 0.000 0.905 99 D CB 0.678 41.580 40.800 0.169 0.000 1.051 99 D HN -0.529 7.826 8.370 0.240 0.159 0.471 100 E N 0.599 120.905 120.200 0.177 0.000 2.038 100 E HA -0.315 4.117 4.350 0.137 0.000 0.195 100 E C 2.140 178.900 176.600 0.268 0.000 1.000 100 E CA 2.713 59.218 56.400 0.175 0.000 0.803 100 E CB -0.132 29.652 29.700 0.139 0.000 0.750 100 E HN 0.487 8.836 8.360 0.169 0.111 0.448 101 F N -1.768 118.245 119.950 0.106 0.000 2.250 101 F HA -0.283 4.287 4.527 0.072 0.000 0.301 101 F C 0.742 176.610 175.800 0.113 0.000 1.077 101 F CA 0.884 58.938 58.000 0.088 0.000 1.348 101 F CB 0.353 39.405 39.000 0.085 0.000 1.040 101 F HN -0.067 8.352 8.300 0.384 0.112 0.509 102 E N -1.891 118.352 120.200 0.072 0.000 2.354 102 E HA -0.048 4.145 4.350 -0.261 0.000 0.260 102 E C -1.127 175.478 176.600 0.009 0.000 1.405 102 E CA -0.549 55.809 56.400 -0.069 0.000 1.728 102 E CB -1.227 28.476 29.700 0.005 0.000 1.471 102 E HN -0.549 7.770 8.360 0.189 0.155 0.441 103 L N -1.910 119.350 121.223 0.062 0.000 1.906 103 L HA 0.169 4.526 4.340 0.028 0.000 0.169 103 L C 0.312 177.229 176.870 0.077 0.000 1.261 103 L CA 1.309 56.187 54.840 0.063 0.000 1.110 103 L CB 1.280 43.387 42.059 0.081 0.000 2.318 103 L HN -0.530 7.679 8.230 0.115 0.090 0.489 104 R N -1.608 118.993 120.500 0.168 0.000 2.148 104 R HA -0.200 4.158 4.340 0.030 0.000 0.223 104 R C 1.474 177.786 176.300 0.021 0.000 1.088 104 R CA 2.429 58.602 56.100 0.120 0.000 0.985 104 R CB 0.788 31.222 30.300 0.224 0.000 0.880 104 R HN -0.693 7.718 8.270 0.236 0.000 0.451 105 Y N -1.389 118.904 120.300 -0.012 0.000 2.907 105 Y HA 0.109 4.635 4.550 -0.038 0.000 0.332 105 Y C -0.945 174.834 175.900 -0.202 0.000 1.211 105 Y CA -0.655 57.390 58.100 -0.092 0.000 1.387 105 Y CB -1.923 36.467 38.460 -0.118 0.000 1.396 105 Y HN -0.661 7.859 8.280 0.434 0.021 0.519 106 R N 1.548 122.004 120.500 -0.073 0.000 2.139 106 R HA -0.341 3.945 4.340 -0.090 0.000 0.243 106 R C 0.081 176.301 176.300 -0.134 0.000 1.145 106 R CA 2.295 58.338 56.100 -0.095 0.000 0.976 106 R CB 0.226 30.480 30.300 -0.078 0.000 0.866 106 R HN -0.261 7.953 8.270 -0.093 0.000 0.449 107 R N -3.671 116.750 120.500 -0.131 0.000 2.472 107 R HA 0.197 4.418 4.340 -0.199 0.000 0.294 107 R C -1.541 174.656 176.300 -0.172 0.000 1.243 107 R CA -0.763 55.242 56.100 -0.157 0.000 1.023 107 R CB 0.281 30.521 30.300 -0.099 0.000 1.157 107 R HN -0.185 8.000 8.270 -0.106 0.021 0.530 108 A N 3.788 126.365 122.820 -0.405 0.000 2.106 108 A HA 0.214 4.514 4.320 -0.034 0.000 0.218 108 A C -0.122 177.240 177.584 -0.370 0.000 1.718 108 A CA 0.785 52.549 52.037 -0.454 0.000 0.768 108 A CB 0.791 19.091 19.000 -1.167 0.000 1.321 108 A HN 0.231 8.045 8.150 -0.561 0.000 0.567 109 F N -4.573 115.308 119.950 -0.114 0.000 2.908 109 F HA 0.466 4.887 4.527 -0.176 0.000 0.328 109 F C -0.118 175.609 175.800 -0.122 0.000 1.211 109 F CA -3.306 54.581 58.000 -0.189 0.000 1.291 109 F CB -0.686 38.070 39.000 -0.407 0.000 0.962 109 F HN -0.285 6.884 8.300 -1.885 0.000 0.505 110 S N 1.938 117.580 115.700 -0.096 0.000 2.402 110 S HA -0.336 4.123 4.470 -0.018 0.000 0.233 110 S C 1.537 176.147 174.600 0.017 0.000 1.030 110 S CA 3.891 62.069 58.200 -0.037 0.000 1.003 110 S CB 0.033 63.194 63.200 -0.064 0.000 0.813 110 S HN -0.170 7.960 8.310 -0.183 0.070 0.477 111 D N -0.665 119.742 120.400 0.011 0.000 2.216 111 D HA -0.144 4.515 4.640 0.030 0.000 0.208 111 D C 1.672 177.990 176.300 0.030 0.000 0.960 111 D CA 2.713 56.725 54.000 0.021 0.000 0.861 111 D CB 0.150 40.953 40.800 0.004 0.000 0.985 111 D HN 0.233 8.574 8.370 -0.005 0.026 0.493 112 L N -1.700 119.524 121.223 0.001 0.000 1.989 112 L HA -0.306 4.007 4.340 -0.046 0.000 0.211 112 L C 2.627 179.551 176.870 0.091 0.000 1.071 112 L CA 3.215 58.020 54.840 -0.058 0.000 0.749 112 L CB -0.406 41.451 42.059 -0.338 0.000 0.890 112 L HN -0.315 7.832 8.230 0.004 0.085 0.431 113 T N -2.521 112.141 114.554 0.181 0.000 2.684 113 T HA -0.449 4.218 4.350 0.529 0.000 0.267 113 T C 2.252 177.068 174.700 0.195 0.000 1.036 113 T CA 4.195 66.495 62.100 0.333 0.000 1.148 113 T CB -0.611 68.452 68.868 0.326 0.000 0.863 113 T HN 0.115 8.436 8.240 0.136 0.000 0.436 114 S N 0.596 116.379 115.700 0.138 0.000 2.440 114 S HA -0.317 4.231 4.470 0.130 0.000 0.238 114 S C 0.959 175.654 174.600 0.158 0.000 1.010 114 S CA 2.452 60.731 58.200 0.131 0.000 0.972 114 S CB -0.307 62.953 63.200 0.099 0.000 0.774 114 S HN -0.499 7.883 8.310 0.121 0.000 0.501 115 Q N -0.239 119.642 119.800 0.134 0.000 2.247 115 Q HA 0.037 4.447 4.340 0.117 0.000 0.205 115 Q C -1.004 175.086 176.000 0.151 0.000 0.896 115 Q CA -0.961 54.913 55.803 0.119 0.000 0.950 115 Q CB -0.260 28.519 28.738 0.067 0.000 1.054 115 Q HN -0.366 7.798 8.270 0.124 0.180 0.482 116 L N -2.436 118.901 121.223 0.190 0.000 3.193 116 L HA 0.225 4.680 4.340 0.191 0.000 0.305 116 L C -1.242 175.730 176.870 0.170 0.000 1.299 116 L CA -0.827 54.135 54.840 0.203 0.000 0.904 116 L CB 0.163 42.385 42.059 0.272 0.000 1.331 116 L HN -0.511 7.639 8.230 0.186 0.192 0.588 117 H N 0.414 119.542 119.070 0.096 0.000 3.157 117 H HA -0.167 4.431 4.556 0.071 0.000 0.299 117 H C -0.081 175.292 175.328 0.074 0.000 0.961 117 H CA 1.396 57.487 56.048 0.073 0.000 1.428 117 H CB 0.577 30.371 29.762 0.053 0.000 1.459 117 H HN -0.227 8.225 8.280 0.288 0.000 0.566 118 I N 5.504 126.105 120.570 0.052 0.000 2.556 118 I HA -0.039 4.196 4.170 0.109 0.000 0.284 118 I C -0.446 175.738 176.117 0.112 0.000 1.114 118 I CA 0.518 61.864 61.300 0.076 0.000 1.418 118 I CB -1.223 36.778 38.000 0.002 0.000 1.394 118 I HN 0.271 8.411 8.210 -0.117 0.000 0.552 119 T N 6.375 120.992 114.554 0.105 0.000 2.770 119 T HA 0.233 4.626 4.350 0.072 0.000 0.323 119 T C -2.130 172.615 174.700 0.075 0.000 1.683 119 T CA -1.258 60.895 62.100 0.088 0.000 1.024 119 T CB -0.028 68.901 68.868 0.103 0.000 1.557 119 T HN -0.043 8.263 8.240 0.110 0.000 0.494 120 P HA 0.115 4.568 4.420 0.055 0.000 0.231 120 P C -1.421 175.910 177.300 0.052 0.000 1.756 120 P CA 0.394 63.524 63.100 0.050 0.000 0.990 120 P CB -1.755 29.966 31.700 0.034 0.000 1.973 121 G N 2.362 111.201 108.800 0.065 0.000 3.302 121 G HA2 0.064 4.053 3.960 0.048 0.000 0.137 121 G HA3 0.064 4.053 3.960 0.048 0.000 0.137 121 G C -0.405 174.533 174.900 0.062 0.000 1.353 121 G CA 1.089 46.222 45.100 0.055 0.000 0.965 121 G HN 0.078 8.359 8.290 0.080 0.058 0.564 122 T N 1.229 115.821 114.554 0.064 0.000 2.771 122 T HA 0.196 4.563 4.350 0.028 0.000 0.290 122 T C -0.554 174.193 174.700 0.079 0.000 1.005 122 T CA -1.044 61.084 62.100 0.047 0.000 0.944 122 T CB 1.331 70.219 68.868 0.034 0.000 1.147 122 T HN -0.267 8.014 8.240 0.069 0.000 0.534 123 A N 1.203 124.023 122.820 -0.001 0.000 3.402 123 A HA 0.065 4.555 4.320 0.283 0.000 0.115 123 A C -0.660 176.416 177.584 -0.846 0.000 1.337 123 A CA 1.086 53.109 52.037 -0.023 0.000 1.496 123 A CB -0.394 18.744 19.000 0.230 0.000 1.304 123 A HN 0.017 8.121 8.150 -0.078 0.000 0.582 124 Y N 1.522 121.127 120.300 -1.157 0.000 2.448 124 Y HA -0.150 3.322 4.550 -1.796 0.000 0.289 124 Y C 1.081 176.731 175.900 -0.418 0.000 1.114 124 Y CA 2.245 59.570 58.100 -1.292 0.000 1.235 124 Y CB -0.037 37.694 38.460 -1.215 0.000 1.045 124 Y HN 0.021 8.040 8.280 -0.435 0.000 0.554 125 Q N 2.192 121.463 119.800 -0.882 0.000 1.942 125 Q HA -0.426 3.151 4.340 -1.271 0.000 0.203 125 Q C 2.313 178.055 176.000 -0.429 0.000 0.987 125 Q CA 4.364 59.696 55.803 -0.785 0.000 0.844 125 Q CB -0.683 27.865 28.738 -0.317 0.000 0.911 125 Q HN -0.060 7.958 8.270 -0.420 0.000 0.423 126 S N -0.943 114.627 115.700 -0.216 0.000 2.399 126 S HA -0.254 4.158 4.470 -0.096 0.000 0.231 126 S C 1.883 176.459 174.600 -0.040 0.000 1.022 126 S CA 3.466 61.614 58.200 -0.087 0.000 0.983 126 S CB 0.053 63.254 63.200 0.001 0.000 0.803 126 S HN -0.506 7.694 8.310 -0.183 0.000 0.480 127 F N 2.625 122.469 119.950 -0.176 0.000 2.102 127 F HA -0.328 4.256 4.527 0.095 0.000 0.298 127 F C 1.232 177.010 175.800 -0.038 0.000 1.105 127 F CA 3.412 61.391 58.000 -0.036 0.000 1.239 127 F CB 0.261 39.244 39.000 -0.027 0.000 0.991 127 F HN -0.704 7.567 8.300 -0.024 0.015 0.474 128 E N -0.853 119.319 120.200 -0.047 0.000 2.107 128 E HA -0.440 3.909 4.350 -0.002 0.000 0.191 128 E C 2.087 178.599 176.600 -0.146 0.000 0.982 128 E CA 3.212 59.567 56.400 -0.075 0.000 0.809 128 E CB -0.143 29.484 29.700 -0.121 0.000 0.756 128 E HN 0.112 8.264 8.360 -0.147 0.119 0.459 129 Q N 0.150 119.843 119.800 -0.179 0.000 2.030 129 Q HA -0.292 3.986 4.340 -0.103 0.000 0.204 129 Q C 2.777 178.709 176.000 -0.113 0.000 0.986 129 Q CA 3.532 59.260 55.803 -0.126 0.000 0.843 129 Q CB 0.040 28.708 28.738 -0.117 0.000 0.904 129 Q HN 0.178 8.308 8.270 -0.233 0.000 0.420 130 V N -1.348 118.491 119.914 -0.124 0.000 2.548 130 V HA -0.351 3.702 4.120 -0.112 0.000 0.249 130 V C 2.281 178.255 176.094 -0.200 0.000 1.055 130 V CA 3.679 65.900 62.300 -0.131 0.000 1.065 130 V CB -0.367 31.409 31.823 -0.080 0.000 0.681 130 V HN -0.160 7.958 8.190 -0.120 0.000 0.462 131 V N 0.664 120.421 119.914 -0.261 0.000 2.307 131 V HA -0.495 3.449 4.120 -0.294 0.000 0.245 131 V C 1.555 177.546 176.094 -0.172 0.000 1.045 131 V CA 4.142 66.265 62.300 -0.295 0.000 1.024 131 V CB -0.189 31.349 31.823 -0.476 0.000 0.651 131 V HN 0.160 7.979 8.190 -0.294 0.195 0.449 132 N N -1.891 116.765 118.700 -0.075 0.000 2.205 132 N HA -0.343 4.493 4.740 0.160 0.000 0.186 132 N C 0.994 176.489 175.510 -0.026 0.000 1.015 132 N CA 2.518 55.588 53.050 0.033 0.000 0.862 132 N CB -0.041 38.461 38.487 0.026 0.000 0.986 132 N HN 0.408 8.605 8.380 -0.094 0.127 0.429 133 E N -2.563 117.584 120.200 -0.088 0.000 2.160 133 E HA -0.208 4.103 4.350 -0.065 0.000 0.195 133 E C 2.342 178.855 176.600 -0.145 0.000 0.991 133 E CA 1.998 58.339 56.400 -0.098 0.000 0.810 133 E CB 0.175 29.811 29.700 -0.107 0.000 0.742 133 E HN -0.605 7.584 8.360 -0.105 0.109 0.466 134 L N -1.318 119.759 121.223 -0.244 0.000 2.095 134 L HA -0.212 3.951 4.340 -0.295 0.000 0.204 134 L C 2.065 178.665 176.870 -0.450 0.000 1.080 134 L CA 2.367 56.969 54.840 -0.397 0.000 0.759 134 L CB 0.688 42.378 42.059 -0.614 0.000 0.914 134 L HN -0.273 7.659 8.230 -0.248 0.148 0.439 135 F N -4.562 115.294 119.950 -0.157 0.000 2.833 135 F HA -0.000 4.414 4.527 -0.189 0.000 0.327 135 F C -0.562 175.171 175.800 -0.111 0.000 1.184 135 F CA 0.266 58.177 58.000 -0.148 0.000 1.328 135 F CB -2.101 36.844 39.000 -0.091 0.000 1.440 135 F HN -0.569 7.549 8.300 -0.185 0.071 0.569 136 R N -0.164 120.338 120.500 0.003 0.000 2.215 136 R HA -0.018 4.333 4.340 0.019 0.000 0.190 136 R C 1.121 177.406 176.300 -0.026 0.000 0.968 136 R CA 0.990 57.088 56.100 -0.004 0.000 1.122 136 R CB 1.565 31.853 30.300 -0.020 0.000 1.151 136 R HN -0.406 7.739 8.270 -0.070 0.082 0.582 137 D N -1.054 119.318 120.400 -0.045 0.000 2.221 137 D HA -0.178 4.445 4.640 -0.027 0.000 0.204 137 D C -0.081 176.187 176.300 -0.053 0.000 0.982 137 D CA 2.040 56.015 54.000 -0.041 0.000 0.857 137 D CB 0.556 41.330 40.800 -0.043 0.000 0.934 137 D HN -0.006 8.328 8.370 -0.061 0.000 0.475 138 G N -3.119 105.630 108.800 -0.084 0.000 2.196 138 G HA2 -0.179 3.702 3.960 -0.132 0.000 0.215 138 G HA3 -0.179 3.713 3.960 -0.114 0.000 0.215 138 G C -1.683 173.043 174.900 -0.290 0.000 1.640 138 G CA -0.699 44.314 45.100 -0.144 0.000 0.946 138 G HN -0.338 7.878 8.290 -0.079 0.026 0.710 139 V N 2.693 122.311 119.914 -0.494 0.000 2.509 139 V HA -0.256 3.702 4.120 -0.269 0.000 0.297 139 V C -0.741 174.488 176.094 -1.442 0.000 1.014 139 V CA 1.465 63.251 62.300 -0.858 0.000 1.127 139 V CB -0.183 30.857 31.823 -1.304 0.000 0.925 139 V HN 0.211 8.140 8.190 -0.435 0.000 0.480 140 N N 4.045 122.216 118.700 -0.881 0.000 2.629 140 N HA 0.181 4.336 4.740 -0.975 0.000 0.279 140 N C 0.153 175.458 175.510 -0.343 0.000 1.344 140 N CA -1.547 51.094 53.050 -0.682 0.000 0.789 140 N CB 2.892 41.251 38.487 -0.213 0.000 1.508 140 N HN -0.547 7.558 8.380 -0.459 0.000 0.516 141 W N 0.845 122.232 121.300 0.144 0.000 2.355 141 W HA -0.232 4.535 4.660 0.179 0.000 0.309 141 W C 1.793 178.443 176.519 0.218 0.000 1.206 141 W CA 2.996 60.494 57.345 0.256 0.000 1.284 141 W CB 0.215 29.912 29.460 0.394 0.000 1.145 141 W HN 0.480 8.667 8.180 0.012 0.000 0.502 142 G N -2.892 106.127 108.800 0.365 0.000 2.418 142 G HA2 -0.410 3.637 3.960 0.144 0.000 0.217 142 G HA3 -0.410 3.543 3.960 -0.012 0.000 0.217 142 G C 1.417 176.283 174.900 -0.055 0.000 1.158 142 G CA 1.695 46.853 45.100 0.097 0.000 0.771 142 G HN 0.195 8.699 8.290 0.357 0.000 0.545 143 R N 1.123 121.583 120.500 -0.066 0.000 2.105 143 R HA -0.322 3.845 4.340 -0.288 0.000 0.239 143 R C 2.411 178.728 176.300 0.028 0.000 1.135 143 R CA 2.967 58.958 56.100 -0.181 0.000 0.967 143 R CB -0.357 29.802 30.300 -0.236 0.000 0.861 143 R HN -0.252 7.992 8.270 -0.044 0.000 0.442 144 I N -1.149 119.587 120.570 0.278 0.000 2.493 144 I HA -0.346 4.331 4.170 0.846 0.000 0.254 144 I C 1.560 178.039 176.117 0.603 0.000 1.160 144 I CA 3.615 65.252 61.300 0.562 0.000 1.445 144 I CB -0.007 38.221 38.000 0.380 0.000 1.086 144 I HN -0.189 8.032 8.210 0.196 0.106 0.433 145 V N 0.343 120.457 119.914 0.334 0.000 2.649 145 V HA -0.348 3.958 4.120 0.310 0.000 0.248 145 V C 1.192 177.433 176.094 0.244 0.000 1.054 145 V CA 3.278 65.742 62.300 0.272 0.000 1.073 145 V CB -0.477 31.463 31.823 0.194 0.000 0.699 145 V HN -0.311 7.867 8.190 0.244 0.159 0.463 146 A N 1.231 124.110 122.820 0.098 0.000 1.898 146 A HA -0.162 4.552 4.320 0.656 0.000 0.214 146 A C 1.766 179.375 177.584 0.042 0.000 1.183 146 A CA 3.235 55.396 52.037 0.206 0.000 0.622 146 A CB -0.622 18.427 19.000 0.081 0.000 0.824 146 A HN 0.241 8.290 8.150 -0.009 0.096 0.444 147 F N -1.100 118.811 119.950 -0.066 0.000 2.293 147 F HA -0.308 4.177 4.527 -0.071 0.000 0.300 147 F C 1.017 176.899 175.800 0.136 0.000 1.086 147 F CA 2.910 60.899 58.000 -0.018 0.000 1.375 147 F CB 0.125 39.146 39.000 0.035 0.000 1.045 147 F HN -0.127 8.309 8.300 0.228 0.000 0.516 148 F N 1.114 120.815 119.950 -0.415 0.000 2.053 148 F HA -0.377 3.548 4.527 -1.003 0.000 0.292 148 F C 1.911 177.623 175.800 -0.145 0.000 1.125 148 F CA 4.547 62.248 58.000 -0.497 0.000 1.193 148 F CB 0.368 39.275 39.000 -0.155 0.000 0.996 148 F HN -0.704 7.709 8.300 0.369 0.109 0.470 149 S N -0.372 115.502 115.700 0.291 0.000 2.400 149 S HA -0.396 4.500 4.470 0.709 0.000 0.232 149 S C 2.239 177.033 174.600 0.323 0.000 1.025 149 S CA 3.427 61.894 58.200 0.445 0.000 0.993 149 S CB -0.054 63.446 63.200 0.500 0.000 0.808 149 S HN -0.483 8.010 8.310 0.305 0.000 0.478 150 F N 2.221 122.134 119.950 -0.062 0.000 2.095 150 F HA -0.298 4.169 4.527 -0.101 0.000 0.298 150 F C 1.452 177.234 175.800 -0.030 0.000 1.104 150 F CA 2.002 59.885 58.000 -0.196 0.000 1.232 150 F CB -0.313 38.361 39.000 -0.543 0.000 0.987 150 F HN 0.027 8.396 8.300 0.140 0.015 0.475 151 G N -1.963 106.662 108.800 -0.291 0.000 2.453 151 G HA2 -0.438 3.330 3.960 -0.320 0.000 0.215 151 G HA3 -0.438 3.377 3.960 -0.241 0.000 0.215 151 G C 1.250 176.081 174.900 -0.115 0.000 1.201 151 G CA 1.852 46.793 45.100 -0.266 0.000 0.784 151 G HN -0.359 7.776 8.290 -0.258 0.000 0.545 152 G N 0.736 109.561 108.800 0.041 0.000 2.475 152 G HA2 -0.400 3.609 3.960 0.082 0.000 0.220 152 G HA3 -0.400 3.680 3.960 0.199 0.000 0.220 152 G C 0.710 175.645 174.900 0.058 0.000 1.125 152 G CA 1.717 46.881 45.100 0.106 0.000 0.755 152 G HN -0.245 8.097 8.290 0.087 0.000 0.565 153 A N 1.550 124.420 122.820 0.084 0.000 1.930 153 A HA -0.116 4.261 4.320 0.095 0.000 0.217 153 A C 1.972 179.560 177.584 0.008 0.000 1.175 153 A CA 2.686 54.779 52.037 0.093 0.000 0.627 153 A CB -0.618 18.514 19.000 0.221 0.000 0.815 153 A HN 0.150 8.249 8.150 0.110 0.117 0.443 154 L N -1.832 119.339 121.223 -0.085 0.000 2.141 154 L HA -0.228 4.078 4.340 -0.058 0.000 0.209 154 L C 1.687 178.497 176.870 -0.099 0.000 1.094 154 L CA 2.645 57.423 54.840 -0.103 0.000 0.763 154 L CB -0.093 41.863 42.059 -0.171 0.000 0.908 154 L HN -0.424 7.597 8.230 -0.155 0.115 0.437 155 C N -0.820 118.426 119.300 -0.090 0.000 2.500 155 C HA -0.422 3.950 4.460 -0.146 0.000 0.279 155 C C 1.886 176.817 174.990 -0.099 0.000 1.288 155 C CA 5.046 64.009 59.018 -0.092 0.000 1.710 155 C CB -0.248 27.489 27.740 -0.006 0.000 2.052 155 C HN -0.281 7.799 8.230 -0.074 0.106 0.488 156 V N -0.044 119.840 119.914 -0.050 0.000 2.453 156 V HA -0.578 3.494 4.120 -0.079 0.000 0.252 156 V C 2.058 178.070 176.094 -0.138 0.000 1.068 156 V CA 4.811 67.067 62.300 -0.074 0.000 1.070 156 V CB -0.307 31.502 31.823 -0.023 0.000 0.664 156 V HN 0.524 8.595 8.190 -0.018 0.108 0.461 157 E N -0.851 119.286 120.200 -0.105 0.000 2.033 157 E HA -0.244 4.049 4.350 -0.095 0.000 0.189 157 E C 2.050 178.550 176.600 -0.167 0.000 0.979 157 E CA 3.180 59.515 56.400 -0.107 0.000 0.802 157 E CB -0.177 29.488 29.700 -0.059 0.000 0.763 157 E HN -0.594 7.700 8.360 -0.075 0.021 0.449 158 S N 0.023 115.620 115.700 -0.173 0.000 2.383 158 S HA -0.331 4.042 4.470 -0.162 0.000 0.229 158 S C 2.021 176.435 174.600 -0.311 0.000 1.030 158 S CA 3.230 61.309 58.200 -0.202 0.000 1.002 158 S CB -0.109 62.977 63.200 -0.189 0.000 0.829 158 S HN -0.305 7.918 8.310 -0.145 0.000 0.467 159 V N -0.354 119.299 119.914 -0.434 0.000 2.788 159 V HA -0.367 3.449 4.120 -0.685 -0.107 0.251 159 V C 0.940 176.444 176.094 -0.983 0.000 1.068 159 V CA 3.812 65.659 62.300 -0.754 0.000 1.090 159 V CB -0.118 31.169 31.823 -0.893 0.000 0.710 159 V HN 0.251 8.108 8.190 -0.359 0.118 0.467 160 D N -0.589 119.425 120.400 -0.642 0.000 2.149 160 D HA -0.249 4.145 4.640 -0.410 0.000 0.198 160 D C 1.283 177.527 176.300 -0.093 0.000 0.990 160 D CA 2.661 56.452 54.000 -0.348 0.000 0.839 160 D CB 0.292 41.019 40.800 -0.121 0.000 0.948 160 D HN -0.441 7.458 8.370 -0.450 0.202 0.460 161 K N -2.178 118.142 120.400 -0.134 0.000 1.997 161 K HA -0.105 4.214 4.320 -0.001 0.000 0.212 161 K C 0.050 176.634 176.600 -0.026 0.000 1.033 161 K CA 2.234 58.492 56.287 -0.049 0.000 0.950 161 K CB 1.332 33.791 32.500 -0.067 0.000 0.751 161 K HN -0.597 7.520 8.250 -0.201 0.013 0.444 162 E N -4.282 115.864 120.200 -0.090 0.000 3.460 162 E HA 0.033 4.369 4.350 -0.025 0.000 0.136 162 E C -1.359 175.161 176.600 -0.134 0.000 0.957 162 E CA -0.060 56.299 56.400 -0.069 0.000 1.564 162 E CB 0.866 30.548 29.700 -0.029 0.000 1.067 162 E HN -0.364 7.915 8.360 -0.136 0.000 0.356 163 M N 0.341 119.810 119.600 -0.218 0.000 2.066 163 M HA 0.259 4.627 4.480 -0.187 0.000 0.264 163 M C -0.916 175.158 176.300 -0.378 0.000 0.886 163 M CA -0.325 54.834 55.300 -0.235 0.000 0.810 163 M CB 0.756 33.246 32.600 -0.183 0.000 1.451 163 M HN -0.464 7.665 8.290 -0.268 0.000 0.373 164 Q N 1.434 120.968 119.800 -0.443 0.000 2.217 164 Q HA 0.081 3.848 4.340 -0.955 0.000 0.226 164 Q C -0.575 175.139 176.000 -0.477 0.000 0.875 164 Q CA 0.728 56.087 55.803 -0.741 0.000 0.974 164 Q CB -0.454 27.721 28.738 -0.938 0.000 1.079 164 Q HN 0.300 8.371 8.270 -0.332 0.000 0.463 165 V N -2.572 117.153 119.914 -0.315 0.000 3.379 165 V HA -0.004 3.996 4.120 -0.200 0.000 0.249 165 V C 0.559 176.530 176.094 -0.206 0.000 1.184 165 V CA 0.950 63.123 62.300 -0.212 0.000 1.106 165 V CB 0.625 32.362 31.823 -0.143 0.000 0.826 165 V HN -0.091 7.825 8.190 -0.296 0.097 0.465 166 L N -1.718 119.369 121.223 -0.227 0.000 2.653 166 L HA 0.042 4.259 4.340 -0.204 0.000 0.232 166 L C 1.091 177.771 176.870 -0.317 0.000 1.169 166 L CA 0.486 55.186 54.840 -0.232 0.000 0.951 166 L CB -0.537 41.417 42.059 -0.175 0.000 1.181 166 L HN -0.461 7.622 8.230 -0.244 0.000 0.460 167 V N 1.022 120.747 119.914 -0.315 0.000 2.407 167 V HA -0.523 3.433 4.120 -0.273 0.000 0.245 167 V C 1.224 177.151 176.094 -0.278 0.000 1.041 167 V CA 5.087 67.207 62.300 -0.300 0.000 1.040 167 V CB 0.011 31.663 31.823 -0.285 0.000 0.671 167 V HN -0.070 7.839 8.190 -0.315 0.091 0.455 168 S N -1.887 113.663 115.700 -0.250 0.000 2.402 168 S HA -0.396 4.081 4.470 0.011 0.000 0.229 168 S C 1.667 176.093 174.600 -0.290 0.000 1.021 168 S CA 2.959 61.077 58.200 -0.137 0.000 0.974 168 S CB -0.510 62.646 63.200 -0.074 0.000 0.800 168 S HN 0.132 8.287 8.310 -0.258 0.000 0.484 169 R N 0.888 121.127 120.500 -0.435 0.000 2.062 169 R HA -0.283 3.754 4.340 -0.504 0.000 0.231 169 R C 2.359 177.633 176.300 -1.710 0.000 1.136 169 R CA 3.354 58.997 56.100 -0.761 0.000 0.948 169 R CB -0.129 29.846 30.300 -0.540 0.000 0.845 169 R HN -0.159 7.876 8.270 -0.360 0.019 0.430 170 I N -0.744 118.936 120.570 -1.484 0.000 2.179 170 I HA -0.465 2.327 4.170 -2.297 0.000 0.242 170 I C 1.547 177.192 176.117 -0.786 0.000 1.088 170 I CA 4.262 64.699 61.300 -1.438 0.000 1.357 170 I CB -0.126 37.427 38.000 -0.746 0.000 1.051 170 I HN -0.580 7.038 8.210 -0.987 0.000 0.409 171 A N -1.353 121.216 122.820 -0.418 0.000 1.978 171 A HA -0.379 3.887 4.320 -0.090 0.000 0.220 171 A C 1.648 179.162 177.584 -0.117 0.000 1.170 171 A CA 2.917 54.879 52.037 -0.125 0.000 0.636 171 A CB -0.870 18.214 19.000 0.141 0.000 0.810 171 A HN 0.055 7.975 8.150 -0.385 0.000 0.448 172 A N -0.762 121.911 122.820 -0.246 0.000 1.873 172 A HA -0.273 4.057 4.320 0.017 0.000 0.215 172 A C 1.683 179.319 177.584 0.087 0.000 1.186 172 A CA 3.101 55.090 52.037 -0.080 0.000 0.616 172 A CB -0.589 18.347 19.000 -0.106 0.000 0.823 172 A HN -0.107 7.565 8.150 -0.432 0.218 0.442 173 W N -2.625 118.645 121.300 -0.050 0.000 2.338 173 W HA -0.292 4.429 4.660 0.102 0.000 0.304 173 W C 2.637 179.272 176.519 0.194 0.000 1.212 173 W CA 2.196 59.545 57.345 0.007 0.000 1.264 173 W CB -1.038 28.224 29.460 -0.329 0.000 1.142 173 W HN -0.254 7.499 8.180 -0.712 0.000 0.512 174 M N -2.867 116.944 119.600 0.352 0.000 2.254 174 M HA -0.303 4.684 4.480 0.846 0.000 0.265 174 M C 2.284 178.826 176.300 0.403 0.000 1.066 174 M CA 3.346 58.967 55.300 0.534 0.000 1.123 174 M CB -0.766 31.988 32.600 0.256 0.000 1.388 174 M HN -0.422 7.929 8.290 0.106 0.003 0.425 175 A N 0.019 122.988 122.820 0.248 0.000 1.898 175 A HA -0.212 4.236 4.320 0.212 0.000 0.216 175 A C 1.895 179.611 177.584 0.220 0.000 1.181 175 A CA 2.956 55.117 52.037 0.206 0.000 0.620 175 A CB -0.614 18.468 19.000 0.137 0.000 0.819 175 A HN -0.023 8.118 8.150 0.183 0.119 0.442 176 T N 1.973 116.670 114.554 0.238 0.000 2.777 176 T HA -0.395 4.044 4.350 0.149 0.000 0.266 176 T C 1.561 176.394 174.700 0.221 0.000 1.040 176 T CA 5.601 67.824 62.100 0.205 0.000 1.141 176 T CB 0.011 69.007 68.868 0.212 0.000 0.868 176 T HN -0.047 8.350 8.240 0.260 0.000 0.444 177 Y N 2.491 122.893 120.300 0.169 0.000 2.241 177 Y HA -0.299 4.332 4.550 0.134 0.000 0.286 177 Y C 1.680 177.556 175.900 -0.040 0.000 1.166 177 Y CA 3.506 61.638 58.100 0.053 0.000 1.203 177 Y CB 0.062 38.487 38.460 -0.059 0.000 0.977 177 Y HN -0.418 8.135 8.280 0.455 0.000 0.529 178 L N -3.556 117.793 121.223 0.210 0.000 2.416 178 L HA -0.208 4.197 4.340 0.108 0.000 0.216 178 L C 1.699 178.657 176.870 0.147 0.000 1.098 178 L CA 1.513 56.459 54.840 0.176 0.000 0.840 178 L CB 0.099 42.344 42.059 0.309 0.000 0.981 178 L HN -0.512 7.767 8.230 0.277 0.117 0.462 179 N N 0.109 118.887 118.700 0.131 0.000 2.043 179 N HA -0.221 4.587 4.740 0.112 0.000 0.193 179 N C 0.549 176.080 175.510 0.036 0.000 1.037 179 N CA 2.918 56.023 53.050 0.092 0.000 0.851 179 N CB 0.284 38.820 38.487 0.082 0.000 1.027 179 N HN -0.163 8.190 8.380 0.154 0.119 0.422 180 D N -5.892 114.498 120.400 -0.018 0.000 2.563 180 D HA 0.252 4.853 4.640 -0.065 0.000 0.256 180 D C -1.351 174.824 176.300 -0.208 0.000 1.400 180 D CA 0.635 54.577 54.000 -0.095 0.000 0.800 180 D CB 1.164 41.897 40.800 -0.113 0.000 1.145 180 D HN -0.600 7.767 8.370 -0.005 0.000 0.501 181 H N -1.803 117.098 119.070 -0.280 0.000 2.475 181 H HA 0.145 4.435 4.556 -0.442 0.000 0.276 181 H C -1.349 173.604 175.328 -0.625 0.000 1.126 181 H CA -0.061 55.647 56.048 -0.566 0.000 1.023 181 H CB 0.617 29.788 29.762 -0.984 0.000 1.669 181 H HN -0.517 7.711 8.280 -0.087 0.000 0.573 182 L N -3.706 117.396 121.223 -0.202 0.000 2.203 182 L HA -0.016 4.192 4.340 -0.221 0.000 0.254 182 L C -0.039 176.809 176.870 -0.037 0.000 1.162 182 L CA 2.306 57.037 54.840 -0.181 0.000 1.407 182 L CB 0.756 42.669 42.059 -0.243 0.000 2.645 182 L HN -0.469 7.608 8.230 -0.134 0.072 0.525 183 E N 2.203 122.404 120.200 0.001 0.000 2.065 183 E HA -0.369 4.019 4.350 0.063 0.000 0.201 183 E C -1.123 175.479 176.600 0.004 0.000 1.016 183 E CA 5.363 61.786 56.400 0.039 0.000 0.818 183 E CB -2.015 27.725 29.700 0.066 0.000 0.749 183 E HN -0.228 8.129 8.360 -0.005 0.000 0.453 184 P HA -0.244 4.153 4.420 -0.038 0.000 0.218 184 P C 1.181 178.468 177.300 -0.022 0.000 1.146 184 P CA 2.372 65.457 63.100 -0.026 0.000 0.820 184 P CB -0.316 31.363 31.700 -0.034 0.000 0.778 185 W N -1.867 119.321 121.300 -0.187 0.000 2.630 185 W HA -0.043 4.497 4.660 -0.200 0.000 0.271 185 W C 1.091 177.420 176.519 -0.317 0.000 1.244 185 W CA 2.956 60.156 57.345 -0.242 0.000 1.353 185 W CB 1.244 30.536 29.460 -0.280 0.000 1.080 185 W HN -0.052 8.026 8.180 0.112 0.169 0.594 186 I N 0.111 120.650 120.570 -0.053 0.000 2.264 186 I HA -0.743 3.204 4.170 -0.373 0.000 0.248 186 I C 1.918 177.902 176.117 -0.222 0.000 1.111 186 I CA 4.230 65.400 61.300 -0.217 0.000 1.382 186 I CB -0.448 37.413 38.000 -0.232 0.000 1.060 186 I HN -0.044 8.093 8.210 0.042 0.098 0.418 187 Q N -2.893 116.794 119.800 -0.188 0.000 2.204 187 Q HA -0.321 4.040 4.340 -0.081 -0.070 0.198 187 Q C 1.983 177.835 176.000 -0.245 0.000 0.946 187 Q CA 2.547 58.265 55.803 -0.142 0.000 0.859 187 Q CB 0.341 29.034 28.738 -0.075 0.000 0.946 187 Q HN -0.348 7.819 8.270 -0.151 0.013 0.474 188 E N -1.884 118.102 120.200 -0.357 0.000 2.171 188 E HA -0.268 3.924 4.350 -0.264 0.000 0.197 188 E C 1.791 178.073 176.600 -0.531 0.000 0.997 188 E CA 2.279 58.433 56.400 -0.409 0.000 0.810 188 E CB -0.211 29.212 29.700 -0.462 0.000 0.738 188 E HN -0.655 7.438 8.360 -0.336 0.065 0.467 189 N N -3.367 114.849 118.700 -0.807 0.000 2.333 189 N HA -0.075 4.305 4.740 -0.599 0.000 0.178 189 N C 0.346 175.723 175.510 -0.222 0.000 1.018 189 N CA 1.485 54.115 53.050 -0.699 0.000 0.882 189 N CB 1.477 39.183 38.487 -1.302 0.000 0.984 189 N HN -0.416 7.364 8.380 -0.963 0.022 0.434 190 G N -2.792 105.936 108.800 -0.120 0.000 3.724 190 G HA2 -0.025 3.908 3.960 -0.044 0.000 0.212 190 G HA3 -0.025 3.960 3.960 0.042 0.000 0.212 190 G C -1.302 173.618 174.900 0.033 0.000 0.928 190 G CA -0.340 44.756 45.100 -0.006 0.000 0.879 190 G HN -0.738 7.333 8.290 -0.198 0.100 0.424 191 G N -1.283 107.583 108.800 0.109 0.000 2.440 191 G HA2 -0.166 3.901 3.960 0.047 0.000 0.684 191 G HA3 -0.166 3.840 3.960 0.076 0.000 0.684 191 G C -0.265 174.688 174.900 0.089 0.000 1.309 191 G CA -0.689 44.465 45.100 0.089 0.000 0.931 191 G HN -0.549 7.878 8.290 0.228 0.000 0.612 192 W N 0.666 122.047 121.300 0.134 0.000 2.342 192 W HA -0.397 4.256 4.660 -0.011 0.000 0.297 192 W C 1.074 177.569 176.519 -0.039 0.000 1.213 192 W CA 3.294 60.663 57.345 0.039 0.000 1.251 192 W CB 0.021 29.518 29.460 0.061 0.000 1.136 192 W HN 0.454 8.769 8.180 0.225 0.000 0.526 193 D N -2.975 117.546 120.400 0.202 0.000 2.190 193 D HA -0.363 4.324 4.640 0.079 0.000 0.200 193 D C 1.873 178.157 176.300 -0.028 0.000 0.992 193 D CA 3.595 57.640 54.000 0.075 0.000 0.854 193 D CB -0.403 40.429 40.800 0.054 0.000 0.936 193 D HN 0.203 8.698 8.370 0.226 0.010 0.462 194 T N 1.409 115.917 114.554 -0.076 0.000 2.851 194 T HA -0.201 4.065 4.350 -0.140 0.000 0.262 194 T C 1.360 175.785 174.700 -0.458 0.000 1.043 194 T CA 4.225 66.214 62.100 -0.184 0.000 1.140 194 T CB -0.234 68.587 68.868 -0.078 0.000 0.872 194 T HN -0.210 7.878 8.240 -0.025 0.137 0.446 195 F N 2.815 122.211 119.950 -0.924 0.000 2.236 195 F HA -0.370 2.923 4.527 -2.056 0.000 0.302 195 F C 0.225 175.711 175.800 -0.523 0.000 1.073 195 F CA 3.476 60.691 58.000 -1.310 0.000 1.336 195 F CB -0.253 38.010 39.000 -1.229 0.000 1.040 195 F HN -0.402 7.494 8.300 -0.537 0.082 0.507 196 V N -2.459 117.209 119.914 -0.410 0.000 2.599 196 V HA -0.240 3.613 4.120 -0.530 -0.051 0.237 196 V C 1.079 177.029 176.094 -0.241 0.000 1.081 196 V CA 2.055 64.148 62.300 -0.344 0.000 1.107 196 V CB -0.234 31.514 31.823 -0.125 0.000 0.808 196 V HN -0.586 7.333 8.190 -0.209 0.145 0.486 197 E N -1.697 118.404 120.200 -0.165 0.000 2.209 197 E HA -0.302 3.998 4.350 -0.084 0.000 0.196 197 E C 1.740 178.270 176.600 -0.116 0.000 0.993 197 E CA 2.392 58.726 56.400 -0.110 0.000 0.819 197 E CB 0.133 29.787 29.700 -0.077 0.000 0.745 197 E HN -0.332 7.944 8.360 -0.141 0.000 0.477 198 L N -2.606 118.498 121.223 -0.200 0.000 2.049 198 L HA -0.219 4.072 4.340 -0.082 0.000 0.203 198 L C 0.985 177.860 176.870 0.009 0.000 1.074 198 L CA 2.701 57.437 54.840 -0.175 0.000 0.749 198 L CB 0.777 42.606 42.059 -0.383 0.000 0.907 198 L HN 0.142 8.061 8.230 -0.288 0.139 0.439 199 Y N -4.400 115.728 120.300 -0.287 0.000 2.576 199 Y HA 0.118 4.575 4.550 -0.155 0.000 0.282 199 Y C 0.819 176.567 175.900 -0.254 0.000 1.139 199 Y CA -1.067 56.884 58.100 -0.249 0.000 1.265 199 Y CB 0.776 39.053 38.460 -0.305 0.000 1.376 199 Y HN -0.894 7.183 8.280 -0.338 0.000 0.511 200 G N -0.268 108.422 108.800 -0.184 0.000 2.472 200 G HA2 -0.344 3.531 3.960 -0.142 0.000 0.291 200 G HA3 -0.344 3.476 3.960 -0.234 0.000 0.291 200 G C -1.149 173.689 174.900 -0.104 0.000 0.898 200 G CA 0.497 45.491 45.100 -0.175 0.000 1.645 200 G HN -0.568 7.504 8.290 -0.363 0.000 0.459 201 N N 2.362 121.022 118.700 -0.068 0.000 2.416 201 N HA -0.174 4.541 4.740 -0.042 0.000 0.246 201 N C -1.087 174.395 175.510 -0.047 0.000 1.260 201 N CA 1.181 54.203 53.050 -0.047 0.000 0.897 201 N CB 1.115 39.580 38.487 -0.036 0.000 1.110 201 N HN -0.288 8.053 8.380 -0.065 0.000 0.439 202 N N 2.485 121.162 118.700 -0.038 0.000 2.646 202 N HA 0.045 4.764 4.740 -0.035 0.000 0.296 202 N C -1.156 174.339 175.510 -0.025 0.000 1.886 202 N CA -0.140 52.890 53.050 -0.034 0.000 0.855 202 N CB 0.292 38.756 38.487 -0.037 0.000 1.336 202 N HN 0.076 8.436 8.380 -0.033 0.000 0.496 203 A N -2.025 120.782 122.820 -0.021 0.000 2.790 203 A HA -0.312 4.000 4.320 -0.014 0.000 0.277 203 A C -0.951 176.624 177.584 -0.015 0.000 1.435 203 A CA 0.990 53.018 52.037 -0.016 0.000 0.877 203 A CB -0.950 18.041 19.000 -0.014 0.000 1.007 203 A HN 0.022 8.159 8.150 -0.023 0.000 0.613 204 A N -3.125 119.685 122.820 -0.016 0.000 2.095 204 A HA -0.125 4.187 4.320 -0.013 0.000 0.212 204 A C 1.145 178.722 177.584 -0.011 0.000 1.162 204 A CA 1.227 53.256 52.037 -0.014 0.000 0.753 204 A CB 0.026 19.016 19.000 -0.017 0.000 0.840 204 A HN -0.167 7.933 8.150 -0.019 0.039 0.468 205 A N -0.993 121.821 122.820 -0.011 0.000 1.917 205 A HA -0.255 4.061 4.320 -0.007 0.000 0.219 205 A C 0.074 177.654 177.584 -0.007 0.000 1.182 205 A CA 1.130 53.161 52.037 -0.008 0.000 0.633 205 A CB -0.155 18.840 19.000 -0.009 0.000 0.819 205 A HN -0.112 8.030 8.150 -0.013 0.000 0.448 206 E N -4.850 115.346 120.200 -0.007 0.000 2.660 206 E HA -0.351 3.995 4.350 -0.006 0.000 0.260 206 E C -0.794 175.803 176.600 -0.005 0.000 1.122 206 E CA 0.996 57.392 56.400 -0.006 0.000 0.755 206 E CB -1.744 27.953 29.700 -0.005 0.000 1.345 206 E HN 0.355 8.708 8.360 -0.009 0.002 0.421 207 S N -1.490 114.206 115.700 -0.006 0.000 2.564 207 S HA -0.123 4.344 4.470 -0.004 0.000 0.231 207 S C 0.810 175.407 174.600 -0.005 0.000 1.067 207 S CA 0.924 59.121 58.200 -0.006 0.000 0.908 207 S CB 0.537 63.733 63.200 -0.007 0.000 0.809 207 S HN -0.203 8.076 8.310 -0.007 0.026 0.491 208 R N -0.347 120.149 120.500 -0.006 0.000 1.804 208 R HA -0.423 3.914 4.340 -0.006 0.000 0.082 208 R C 1.019 177.315 176.300 -0.006 0.000 0.945 208 R CA 2.332 58.429 56.100 -0.005 0.000 1.841 208 R CB -1.561 28.737 30.300 -0.004 0.000 0.352 208 R HN 0.177 8.443 8.270 -0.007 0.000 0.703 209 K N -0.377 120.020 120.400 -0.005 0.000 1.992 209 K HA -0.110 4.207 4.320 -0.006 0.000 0.225 209 K C 1.625 178.220 176.600 -0.009 0.000 1.020 209 K CA 1.677 57.960 56.287 -0.006 0.000 1.042 209 K CB 0.170 32.667 32.500 -0.005 0.000 0.772 209 K HN 0.053 8.282 8.250 -0.004 0.019 0.444 210 G N -3.245 105.548 108.800 -0.011 0.000 2.383 210 G HA2 -0.333 3.617 3.960 -0.018 0.000 0.229 210 G HA3 -0.333 3.620 3.960 -0.013 0.000 0.229 210 G C 0.514 175.403 174.900 -0.018 0.000 1.089 210 G CA 0.295 45.386 45.100 -0.015 0.000 0.640 210 G HN 0.353 8.637 8.290 -0.011 0.000 0.510 211 Q N 0.627 120.418 119.800 -0.015 0.000 1.803 211 Q HA -0.268 4.061 4.340 -0.018 0.000 0.284 211 Q C 0.240 176.226 176.000 -0.023 0.000 1.004 211 Q CA 1.982 57.775 55.803 -0.017 0.000 0.889 211 Q CB -0.008 28.722 28.738 -0.013 0.000 0.949 211 Q HN -0.439 7.726 8.270 -0.013 0.097 0.418 212 E N -1.296 118.893 120.200 -0.017 0.000 2.560 212 E HA -0.335 4.011 4.350 -0.008 0.000 0.158 212 E C -0.278 176.308 176.600 -0.023 0.000 1.709 212 E CA 0.741 57.130 56.400 -0.018 0.000 0.653 212 E CB -0.623 29.059 29.700 -0.030 0.000 1.090 212 E HN 0.078 8.431 8.360 -0.012 0.000 0.355 213 R N -1.064 119.429 120.500 -0.012 0.000 1.200 213 R HA -0.295 4.043 4.340 -0.004 0.000 0.019 213 R C -0.778 175.503 176.300 -0.031 0.000 0.961 213 R CA 2.448 58.540 56.100 -0.012 0.000 1.980 213 R CB -0.823 29.477 30.300 0.000 0.000 0.141 213 R HN 0.317 8.582 8.270 -0.007 0.000 0.730 214 L N -5.991 115.209 121.223 -0.040 0.000 3.441 214 L HA 0.382 4.697 4.340 -0.041 0.000 0.363 214 L C -1.211 175.654 176.870 -0.008 0.000 1.333 214 L CA -0.128 54.686 54.840 -0.043 0.000 0.926 214 L CB 1.460 43.466 42.059 -0.089 0.000 1.304 214 L HN 0.065 8.221 8.230 -0.043 0.047 0.596 215 E N -2.215 117.970 120.200 -0.025 0.000 2.450 215 E HA -0.469 3.851 4.350 -0.073 -0.014 0.244 215 E C -1.578 175.023 176.600 0.000 0.000 1.226 215 E CA 1.670 58.054 56.400 -0.026 0.000 0.720 215 E CB -2.101 27.605 29.700 0.009 0.000 1.254 215 E HN 0.308 8.555 8.360 -0.039 0.089 0.399 216 H N -2.148 116.805 119.070 -0.195 0.000 2.984 216 H HA 0.301 4.755 4.556 -0.170 0.000 0.277 216 H C -1.576 173.580 175.328 -0.287 0.000 1.502 216 H CA -0.719 55.218 56.048 -0.186 0.000 1.195 216 H CB 2.728 32.440 29.762 -0.084 0.000 1.866 216 H HN -0.379 7.834 8.280 -0.057 0.033 0.594 217 H N -1.379 117.802 119.070 0.186 0.000 2.649 217 H HA 0.259 4.914 4.556 0.166 0.000 0.258 217 H C -0.573 174.961 175.328 0.344 0.000 1.165 217 H CA -1.008 55.161 56.048 0.201 0.000 1.006 217 H CB 0.881 30.732 29.762 0.149 0.000 1.743 217 H HN 0.303 8.753 8.280 0.282 0.000 0.609 218 H N -0.721 118.544 119.070 0.325 0.000 2.713 218 H HA -0.399 4.272 4.556 0.191 0.000 0.311 218 H C -1.115 174.314 175.328 0.169 0.000 1.175 218 H CA 0.339 56.537 56.048 0.250 0.000 1.143 218 H CB -1.048 28.862 29.762 0.246 0.000 1.434 218 H HN 0.220 8.689 8.280 0.315 0.000 0.418 219 H N -2.541 116.645 119.070 0.194 0.000 2.460 219 H HA -0.368 4.007 4.556 -0.301 0.000 0.297 219 H C -0.499 174.447 175.328 -0.636 0.000 1.103 219 H CA 2.495 58.417 56.048 -0.210 0.000 1.292 219 H CB 0.450 30.233 29.762 0.035 0.000 1.376 219 H HN -0.088 8.500 8.280 0.519 0.003 0.531 220 H N -0.896 118.075 119.070 -0.166 0.000 3.253 220 H HA -0.110 4.394 4.556 -0.086 0.000 0.250 220 H C -1.518 173.684 175.328 -0.211 0.000 1.051 220 H CA 0.538 56.513 56.048 -0.122 0.000 1.458 220 H CB -1.686 28.122 29.762 0.076 0.000 1.549 220 H HN -0.226 8.194 8.280 0.280 0.028 0.506 221 H N 0.000 118.880 119.070 -0.317 0.000 2.539 221 H HA 0.000 4.491 4.556 -0.108 0.000 0.296 221 H CA 0.000 55.915 56.048 -0.222 0.000 1.023 221 H CB 0.000 29.640 29.762 -0.204 0.000 1.292 221 H HN 0.000 7.913 8.280 -0.612 0.000 0.496