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 1ghx_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YRNIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK ETXXGQPSVL QVVNLPIVER DATA SEQUENCE PVcKDSTRIR ITDNMFcAYK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSW DATA SEQUENCE GEXGcRDGKY GFYTHVFRLK KWIQKVIDQF 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 16 I HA 0.000 4.207 4.170 0.061 0.000 0.288 16 I C 0.000 176.143 176.117 0.044 0.000 1.063 16 I CA 0.000 61.327 61.300 0.045 0.000 1.566 16 I CB 0.000 38.011 38.000 0.018 0.000 1.214 17 V N 5.384 125.330 119.914 0.052 0.000 2.459 17 V HA 0.300 4.585 4.120 0.039 -0.142 0.295 17 V C 0.173 176.295 176.094 0.048 0.000 1.029 17 V CA -1.623 60.705 62.300 0.046 0.000 0.874 17 V CB 1.895 33.746 31.823 0.047 0.000 0.985 17 V HN 0.716 8.944 8.190 0.063 0.000 0.438 18 E N 2.213 122.435 120.200 0.036 0.000 2.389 18 E HA -0.410 3.952 4.350 0.021 0.000 0.243 18 E C -1.133 175.488 176.600 0.035 0.000 1.154 18 E CA 1.158 57.576 56.400 0.030 0.000 0.723 18 E CB -2.345 27.373 29.700 0.030 0.000 1.261 18 E HN 0.952 9.330 8.360 0.031 0.000 0.390 19 G N -4.050 104.768 108.800 0.030 0.000 2.820 19 G HA2 0.419 4.393 3.960 0.034 0.000 0.291 19 G HA3 0.419 4.442 3.960 0.019 -0.052 0.291 19 G C -1.595 173.312 174.900 0.011 0.000 1.323 19 G CA -1.021 44.093 45.100 0.024 0.000 1.055 19 G HN -0.527 7.766 8.290 0.026 0.013 0.520 20 S N -1.553 114.148 115.700 0.003 0.000 2.715 20 S HA 0.300 4.772 4.470 0.005 0.000 0.307 20 S C -1.570 173.023 174.600 -0.012 0.000 1.119 20 S CA -1.316 56.885 58.200 0.001 0.000 0.937 20 S CB 3.124 66.328 63.200 0.007 0.000 1.150 20 S HN 0.365 8.675 8.310 -0.000 0.000 0.521 21 D N 0.798 121.197 120.400 -0.001 0.000 2.345 21 D HA 0.079 4.987 4.640 -0.038 -0.291 0.247 21 D C 0.132 176.440 176.300 0.012 0.000 1.108 21 D CA 0.447 54.445 54.000 -0.003 0.000 0.894 21 D CB 0.417 41.237 40.800 0.034 0.000 1.203 21 D HN 0.105 8.480 8.370 0.009 0.000 0.430 22 A N 3.812 126.634 122.820 0.004 0.000 2.327 22 A HA -0.015 4.291 4.320 -0.023 0.000 0.255 22 A C -0.524 177.129 177.584 0.116 0.000 1.099 22 A CA -0.560 51.488 52.037 0.017 0.000 0.801 22 A CB 1.489 20.465 19.000 -0.040 0.000 1.062 22 A HN 0.537 8.553 8.150 -0.051 0.104 0.496 23 E N -1.333 118.881 120.200 0.024 0.000 2.254 23 E HA 0.116 4.461 4.350 -0.009 0.000 0.261 23 E C -0.747 175.805 176.600 -0.080 0.000 1.051 23 E CA -1.909 54.478 56.400 -0.022 0.000 0.902 23 E CB 1.302 30.974 29.700 -0.047 0.000 1.168 23 E HN -0.023 8.320 8.360 -0.028 0.000 0.423 24 I N 0.483 120.952 120.570 -0.167 0.000 2.533 24 I HA -0.316 3.699 4.170 -0.259 0.000 0.284 24 I C 1.804 177.877 176.117 -0.073 0.000 1.109 24 I CA 1.082 62.275 61.300 -0.178 0.000 1.412 24 I CB -1.430 36.478 38.000 -0.153 0.000 1.396 24 I HN 0.330 8.450 8.210 -0.150 0.000 0.543 25 G N 7.021 115.797 108.800 -0.039 0.000 2.160 25 G HA2 -0.397 3.499 3.960 -0.107 0.000 0.251 25 G HA3 -0.397 3.475 3.960 -0.146 0.000 0.251 25 G C -0.376 174.368 174.900 -0.260 0.000 1.008 25 G CA 0.304 45.326 45.100 -0.130 0.000 0.724 25 G HN 0.360 8.654 8.290 0.007 0.000 0.514 26 M N -0.545 118.902 119.600 -0.255 0.000 2.193 26 M HA -0.112 4.183 4.480 -0.308 0.000 0.265 26 M C -0.452 175.484 176.300 -0.608 0.000 1.071 26 M CA 2.503 57.600 55.300 -0.338 0.000 1.140 26 M CB 0.919 33.384 32.600 -0.224 0.000 1.369 26 M HN -0.708 7.437 8.290 -0.175 0.040 0.423 27 S N -3.668 111.644 115.700 -0.648 0.000 2.062 27 S HA 0.419 3.894 4.470 -1.658 0.000 0.163 27 S C -1.480 172.440 174.600 -1.133 0.000 1.612 27 S CA -1.991 55.562 58.200 -1.078 0.000 1.251 27 S CB 0.646 63.505 63.200 -0.568 0.000 1.174 27 S HN -0.031 8.015 8.310 -0.440 0.000 0.428 28 P HA 0.133 4.487 4.420 -0.316 -0.124 0.228 28 P C 0.068 177.154 177.300 -0.356 0.000 1.151 28 P CA 1.606 64.368 63.100 -0.564 0.000 0.770 28 P CB 0.077 31.535 31.700 -0.403 0.000 0.786 29 W N -5.591 115.697 121.300 -0.019 0.000 3.211 29 W HA 0.276 5.005 4.660 0.022 -0.056 0.292 29 W C -0.763 175.783 176.519 0.046 0.000 1.268 29 W CA -3.392 53.959 57.345 0.010 0.000 1.702 29 W CB -1.398 28.056 29.460 -0.009 0.000 1.092 29 W HN -0.477 6.447 8.180 -1.971 0.073 0.643 30 Q N 2.776 122.571 119.800 -0.008 0.000 2.300 30 Q HA 0.010 4.606 4.340 0.234 -0.116 0.280 30 Q C -1.118 175.010 176.000 0.214 0.000 1.033 30 Q CA 0.642 56.516 55.803 0.119 0.000 0.903 30 Q CB 0.030 28.722 28.738 -0.077 0.000 1.195 30 Q HN -0.402 7.459 8.270 -0.391 0.174 0.386 31 V N 5.043 125.120 119.914 0.272 0.000 3.046 31 V HA 0.413 4.798 4.120 0.256 -0.112 0.316 31 V C -1.328 174.986 176.094 0.368 0.000 1.104 31 V CA -1.925 60.542 62.300 0.278 0.000 1.006 31 V CB 3.850 35.806 31.823 0.222 0.000 1.058 31 V HN 0.249 8.597 8.190 0.262 0.000 0.440 32 M N 2.626 122.385 119.600 0.265 0.000 2.253 32 M HA 0.417 5.105 4.480 0.348 0.000 0.314 32 M C -2.108 174.296 176.300 0.173 0.000 1.019 32 M CA -1.132 54.298 55.300 0.217 0.000 0.932 32 M CB 3.614 36.166 32.600 -0.081 0.000 1.606 32 M HN 0.120 8.520 8.290 0.184 0.000 0.430 33 L N 5.686 127.022 121.223 0.187 0.000 2.275 33 L HA 0.571 5.151 4.340 0.156 -0.147 0.288 33 L C -1.768 175.225 176.870 0.205 0.000 1.046 33 L CA -0.902 54.034 54.840 0.160 0.000 0.805 33 L CB 1.015 43.141 42.059 0.112 0.000 1.193 33 L HN 0.741 9.093 8.230 0.203 0.000 0.426 34 F N 5.162 125.114 119.950 0.004 0.000 2.546 34 F HA 0.913 5.610 4.527 -0.018 -0.182 0.320 34 F C -2.121 173.673 175.800 -0.010 0.000 1.076 34 F CA -2.093 55.898 58.000 -0.015 0.000 0.928 34 F CB 4.729 43.710 39.000 -0.032 0.000 1.189 34 F HN 0.884 9.337 8.300 0.255 0.000 0.465 35 R N 2.240 122.482 120.500 -0.429 0.000 2.751 35 R HA 0.732 5.159 4.340 -0.112 -0.154 0.217 35 R C 0.065 176.199 176.300 -0.277 0.000 1.436 35 R CA -2.235 53.709 56.100 -0.260 0.000 1.006 35 R CB 3.326 33.471 30.300 -0.259 0.000 2.065 35 R HN 0.723 8.452 8.270 -0.901 0.000 0.525 36 S N 0.704 116.353 115.700 -0.086 0.000 2.498 36 S HA 0.154 4.577 4.470 -0.079 0.000 0.281 36 S C -1.055 173.494 174.600 -0.086 0.000 1.265 36 S CA -0.922 57.232 58.200 -0.076 0.000 1.071 36 S CB -1.166 62.007 63.200 -0.046 0.000 0.894 36 S HN -0.341 7.920 8.310 -0.082 0.000 0.491 37 P HA -0.126 4.246 4.420 -0.080 0.000 0.271 37 P C -1.302 175.881 177.300 -0.194 0.000 1.233 37 P CA -0.245 62.790 63.100 -0.108 0.000 0.795 37 P CB 0.649 32.295 31.700 -0.091 0.000 0.936 38 Q N -0.436 119.246 119.800 -0.196 0.000 2.349 38 Q HA 0.142 4.423 4.340 -0.597 -0.299 0.254 38 Q C -0.571 175.099 176.000 -0.549 0.000 0.980 38 Q CA -0.194 55.367 55.803 -0.403 0.000 0.924 38 Q CB 0.982 29.717 28.738 -0.005 0.000 1.209 38 Q HN 0.240 8.442 8.270 -0.113 0.000 0.445 39 E N 1.631 121.254 120.200 -0.962 0.000 2.423 39 E HA 0.195 4.356 4.350 -0.316 0.000 0.280 39 E C -2.636 173.642 176.600 -0.537 0.000 1.030 39 E CA -2.135 53.938 56.400 -0.544 0.000 0.812 39 E CB 2.603 32.156 29.700 -0.245 0.000 1.313 39 E HN 0.085 7.697 8.360 -1.247 0.000 0.456 40 L N 1.011 122.168 121.223 -0.110 0.000 2.360 40 L HA 0.080 4.643 4.340 0.180 -0.115 0.276 40 L C -1.482 175.398 176.870 0.016 0.000 1.121 40 L CA 1.059 55.940 54.840 0.069 0.000 0.845 40 L CB 0.110 42.242 42.059 0.121 0.000 1.143 40 L HN 0.324 8.527 8.230 -0.046 0.000 0.452 41 L N 6.702 127.946 121.223 0.036 0.000 2.276 41 L HA -0.005 4.337 4.340 0.003 0.000 0.194 41 L C -0.662 176.246 176.870 0.064 0.000 1.099 41 L CA 1.501 56.355 54.840 0.024 0.000 0.800 41 L CB 1.946 44.008 42.059 0.003 0.000 0.994 41 L HN 0.545 8.822 8.230 0.078 0.000 0.475 42 c N -6.818 111.839 118.600 0.096 0.000 3.316 42 c HA 0.305 4.947 4.570 0.119 0.000 0.360 42 c C -1.602 172.596 174.090 0.181 0.000 1.560 42 c CA -1.131 55.264 56.329 0.111 0.000 1.229 42 c CB 3.828 46.362 42.510 0.040 0.000 1.823 42 c HN -0.809 7.487 8.230 0.110 0.000 0.440 43 G N -1.876 107.033 108.800 0.181 0.000 2.521 43 G HA2 0.800 5.087 3.960 0.318 0.000 0.323 43 G HA3 0.800 4.884 3.960 0.206 0.000 0.323 43 G C -2.991 172.022 174.900 0.190 0.000 1.211 43 G CA -1.443 43.795 45.100 0.231 0.000 0.979 43 G HN 0.519 8.892 8.290 0.139 0.000 0.490 44 A N -3.083 119.863 122.820 0.210 0.000 2.511 44 A HA 1.036 5.759 4.320 0.182 -0.294 0.293 44 A C -2.369 175.351 177.584 0.226 0.000 1.098 44 A CA -0.397 51.759 52.037 0.198 0.000 0.643 44 A CB 2.734 21.846 19.000 0.186 0.000 1.302 44 A HN -0.465 7.825 8.150 0.233 0.000 0.446 45 S N -2.642 113.195 115.700 0.227 0.000 2.569 45 S HA 0.935 5.813 4.470 0.307 -0.223 0.280 45 S C -0.938 173.808 174.600 0.245 0.000 1.111 45 S CA -1.845 56.511 58.200 0.260 0.000 0.887 45 S CB 3.921 67.253 63.200 0.220 0.000 1.095 45 S HN 0.593 9.032 8.310 0.215 0.000 0.476 46 L N 3.670 125.056 121.223 0.271 0.000 2.260 46 L HA 0.391 4.870 4.340 0.231 0.000 0.289 46 L C -0.539 176.453 176.870 0.204 0.000 1.057 46 L CA -0.465 54.517 54.840 0.237 0.000 0.811 46 L CB 1.294 43.490 42.059 0.227 0.000 1.184 46 L HN 0.364 8.699 8.230 0.346 0.102 0.429 47 I N -0.508 120.184 120.570 0.202 0.000 4.139 47 I HA 0.506 4.874 4.170 0.099 -0.138 0.320 47 I C -0.807 175.414 176.117 0.173 0.000 1.290 47 I CA -0.506 60.886 61.300 0.153 0.000 1.253 47 I CB 1.949 40.037 38.000 0.147 0.000 1.122 47 I HN 0.198 8.554 8.210 0.243 0.000 0.421 48 S N -0.683 115.168 115.700 0.252 0.000 2.840 48 S HA 0.186 4.804 4.470 0.245 0.000 0.307 48 S C -1.339 173.463 174.600 0.338 0.000 1.180 48 S CA -1.056 57.318 58.200 0.290 0.000 0.846 48 S CB 2.478 65.893 63.200 0.359 0.000 1.233 48 S HN -0.747 7.733 8.310 0.282 0.000 0.548 49 D N -3.481 117.130 120.400 0.352 0.000 2.355 49 D HA -0.018 4.909 4.640 0.478 0.000 0.218 49 D C 0.197 176.587 176.300 0.151 0.000 1.004 49 D CA 1.704 55.888 54.000 0.307 0.000 0.880 49 D CB 0.042 40.892 40.800 0.083 0.000 0.911 49 D HN 0.285 8.846 8.370 0.319 0.000 0.528 50 R N -2.761 117.815 120.500 0.127 0.000 2.531 50 R HA 0.351 4.643 4.340 -0.080 0.000 0.316 50 R C -1.918 174.221 176.300 -0.267 0.000 0.955 50 R CA -0.263 55.781 56.100 -0.093 0.000 1.120 50 R CB 2.151 32.327 30.300 -0.207 0.000 1.361 50 R HN 0.016 8.365 8.270 0.230 0.059 0.534 51 W N -1.733 119.635 121.300 0.113 0.000 2.702 51 W HA 0.603 5.513 4.660 0.117 -0.179 0.331 51 W C -1.368 175.226 176.519 0.125 0.000 1.049 51 W CA -0.733 56.679 57.345 0.112 0.000 1.230 51 W CB 3.216 32.727 29.460 0.086 0.000 1.408 51 W HN -0.635 7.737 8.180 0.319 0.000 0.492 52 V N 2.241 122.376 119.914 0.368 0.000 2.680 52 V HA 0.855 5.319 4.120 0.266 -0.184 0.309 52 V C -2.029 174.249 176.094 0.306 0.000 1.052 52 V CA -1.484 60.984 62.300 0.281 0.000 0.908 52 V CB 3.320 35.266 31.823 0.205 0.000 1.001 52 V HN 0.876 9.299 8.190 0.389 0.000 0.431 53 L N 6.360 127.739 121.223 0.260 0.000 2.329 53 L HA 0.924 5.586 4.340 0.282 -0.153 0.279 53 L C -1.654 175.343 176.870 0.212 0.000 1.014 53 L CA -1.518 53.471 54.840 0.249 0.000 0.814 53 L CB 3.735 45.929 42.059 0.225 0.000 1.257 53 L HN 0.716 9.090 8.230 0.240 0.000 0.424 54 T N 4.606 119.276 114.554 0.195 0.000 2.645 54 T HA 0.514 5.155 4.350 0.145 -0.205 0.300 54 T C -2.315 172.444 174.700 0.100 0.000 1.210 54 T CA -2.488 59.695 62.100 0.138 0.000 1.034 54 T CB 2.608 71.544 68.868 0.114 0.000 1.537 54 T HN 0.172 8.543 8.240 0.219 0.000 0.492 55 A N 0.285 123.119 122.820 0.023 0.000 2.292 55 A HA 0.527 5.001 4.320 0.014 -0.145 0.319 55 A C 0.102 177.598 177.584 -0.146 0.000 1.206 55 A CA -2.393 49.621 52.037 -0.039 0.000 0.835 55 A CB 1.440 20.404 19.000 -0.060 0.000 1.164 55 A HN 0.393 8.545 8.150 0.004 0.000 0.505 56 A N 5.666 128.354 122.820 -0.219 0.000 2.032 56 A HA -0.316 3.874 4.320 -0.217 0.000 0.221 56 A C 1.014 178.378 177.584 -0.367 0.000 1.165 56 A CA 2.987 54.780 52.037 -0.407 0.000 0.645 56 A CB -0.603 17.844 19.000 -0.922 0.000 0.807 56 A HN 0.927 8.955 8.150 -0.184 0.011 0.453 57 H N -5.495 113.423 119.070 -0.252 0.000 2.563 57 H HA 0.004 4.840 4.556 0.121 -0.207 0.272 57 H C 1.122 176.471 175.328 0.035 0.000 1.005 57 H CA 1.236 57.297 56.048 0.021 0.000 1.171 57 H CB -1.432 28.423 29.762 0.155 0.000 1.351 57 H HN -0.029 8.427 8.280 -0.159 -0.271 0.602 58 c N -2.447 115.992 118.600 -0.269 0.000 2.533 58 c HA -0.015 4.462 4.570 -0.156 0.000 0.272 58 c C -0.262 173.794 174.090 -0.057 0.000 1.371 58 c CA 1.633 57.851 56.329 -0.186 0.000 1.758 58 c CB -0.867 41.533 42.510 -0.182 0.000 1.972 58 c HN -0.295 7.569 8.230 -0.288 0.193 0.522 59 L N -2.558 118.637 121.223 -0.047 0.000 2.331 59 L HA 0.217 4.547 4.340 -0.016 0.000 0.268 59 L C -0.187 176.681 176.870 -0.004 0.000 1.015 59 L CA -0.678 54.152 54.840 -0.018 0.000 0.807 59 L CB 1.475 43.528 42.059 -0.011 0.000 1.293 59 L HN -0.556 7.474 8.230 -0.079 0.152 0.451 60 T N 0.401 114.938 114.554 -0.030 0.000 2.948 60 T HA 0.302 4.628 4.350 -0.040 0.000 0.285 60 T C 0.931 175.611 174.700 -0.033 0.000 1.019 60 T CA -1.729 60.350 62.100 -0.036 0.000 1.013 60 T CB 1.864 70.710 68.868 -0.036 0.000 1.117 60 T HN 0.283 8.837 8.240 -0.029 -0.331 0.533 61 E N 4.341 124.516 120.200 -0.043 0.000 2.082 61 E HA -0.513 3.817 4.350 -0.033 0.000 0.215 61 E C 1.790 178.376 176.600 -0.024 0.000 1.048 61 E CA 3.486 59.863 56.400 -0.038 0.000 0.869 61 E CB -0.772 28.897 29.700 -0.051 0.000 0.773 61 E HN 0.709 9.036 8.360 -0.055 0.000 0.466 62 N N -2.738 115.946 118.700 -0.026 0.000 2.651 62 N HA -0.227 4.503 4.740 -0.016 0.000 0.193 62 N C -0.262 175.238 175.510 -0.017 0.000 1.149 62 N CA 1.910 54.947 53.050 -0.020 0.000 0.933 62 N CB -0.811 37.663 38.487 -0.023 0.000 0.974 62 N HN 0.262 8.622 8.380 -0.033 0.000 0.448 63 D N -3.007 117.382 120.400 -0.018 0.000 2.441 63 D HA 0.223 4.849 4.640 -0.024 0.000 0.210 63 D C -1.636 174.655 176.300 -0.016 0.000 1.102 63 D CA 0.285 54.272 54.000 -0.023 0.000 0.840 63 D CB 1.825 42.607 40.800 -0.030 0.000 0.990 63 D HN -0.057 8.095 8.370 -0.019 0.207 0.505 64 L N -1.836 119.387 121.223 -0.000 0.000 2.323 64 L HA 0.798 5.313 4.340 0.021 -0.162 0.265 64 L C -1.599 175.302 176.870 0.052 0.000 1.012 64 L CA -1.194 53.660 54.840 0.025 0.000 0.820 64 L CB 3.323 45.399 42.059 0.027 0.000 1.334 64 L HN -0.272 7.802 8.230 -0.003 0.155 0.427 65 L N -0.754 120.528 121.223 0.098 0.000 2.388 65 L HA 0.573 4.958 4.340 0.074 0.000 0.264 65 L C -2.240 174.703 176.870 0.122 0.000 0.998 65 L CA -1.312 53.596 54.840 0.113 0.000 0.817 65 L CB 5.397 47.561 42.059 0.174 0.000 1.338 65 L HN 0.627 8.927 8.230 0.117 0.000 0.414 66 V N 3.660 123.627 119.914 0.089 0.000 2.448 66 V HA 0.529 4.890 4.120 0.112 -0.174 0.295 66 V C -1.601 174.531 176.094 0.063 0.000 1.025 66 V CA -1.234 61.120 62.300 0.091 0.000 0.859 66 V CB 2.513 34.386 31.823 0.083 0.000 0.988 66 V HN 0.458 8.690 8.190 0.069 0.000 0.431 67 R N 7.331 127.858 120.500 0.046 0.000 2.393 67 R HA 0.823 5.359 4.340 -0.002 -0.196 0.315 67 R C -0.881 175.440 176.300 0.036 0.000 0.952 67 R CA -1.469 54.624 56.100 -0.011 0.000 0.842 67 R CB 1.864 32.080 30.300 -0.141 0.000 1.163 67 R HN 0.660 8.972 8.270 0.069 0.000 0.450 68 I N 0.876 121.476 120.570 0.050 0.000 2.646 68 I HA 0.318 4.566 4.170 0.130 0.000 0.299 68 I C -0.095 176.065 176.117 0.072 0.000 1.036 68 I CA -1.827 59.529 61.300 0.094 0.000 1.074 68 I CB 3.005 41.075 38.000 0.116 0.000 1.258 68 I HN 0.751 8.981 8.210 0.034 0.000 0.430 69 G N 3.164 112.025 108.800 0.101 0.000 2.141 69 G HA2 -0.439 3.799 3.960 0.136 0.000 0.231 69 G HA3 -0.439 3.567 3.960 0.077 0.000 0.231 69 G C -1.071 173.859 174.900 0.050 0.000 0.984 69 G CA 0.013 45.169 45.100 0.093 0.000 0.660 69 G HN 0.513 8.880 8.290 0.128 0.000 0.525 70 K N -1.835 118.631 120.400 0.110 0.000 2.098 70 K HA 0.103 4.525 4.320 0.004 -0.100 0.257 70 K C -1.700 175.110 176.600 0.350 0.000 0.999 70 K CA 0.030 56.391 56.287 0.124 0.000 0.924 70 K CB 1.043 33.517 32.500 -0.044 0.000 1.028 70 K HN -0.417 7.890 8.250 0.157 0.037 0.466 71 H N 0.673 119.846 119.070 0.172 0.000 1.955 71 H HA 0.221 4.937 4.556 0.267 0.000 0.196 71 H C 0.248 175.757 175.328 0.302 0.000 0.891 71 H CA 0.995 57.171 56.048 0.213 0.000 1.001 71 H CB 3.431 33.217 29.762 0.040 0.000 1.195 71 H HN 0.107 8.920 8.280 0.157 -0.439 0.384 72 S N -0.287 115.472 115.700 0.097 0.000 2.564 72 S HA 0.093 4.723 4.470 -0.007 -0.164 0.278 72 S C 0.650 175.141 174.600 -0.181 0.000 1.333 72 S CA 0.209 58.399 58.200 -0.016 0.000 1.048 72 S CB 1.017 64.200 63.200 -0.028 0.000 0.900 72 S HN -0.507 8.287 8.310 0.131 -0.405 0.505 73 R N 6.349 126.726 120.500 -0.204 0.000 2.066 73 R HA -0.129 3.534 4.340 -1.129 0.000 0.224 73 R C 1.081 177.190 176.300 -0.319 0.000 1.122 73 R CA 2.935 58.745 56.100 -0.483 0.000 0.974 73 R CB 0.302 30.512 30.300 -0.151 0.000 0.871 73 R HN 0.848 8.983 8.270 -0.057 0.101 0.435 74 T N -5.270 109.192 114.554 -0.154 0.000 3.060 74 T HA 0.077 4.374 4.350 -0.087 0.000 0.249 74 T C 0.262 174.910 174.700 -0.088 0.000 1.079 74 T CA -0.043 62.001 62.100 -0.093 0.000 1.013 74 T CB 0.254 69.104 68.868 -0.029 0.000 0.975 74 T HN -0.172 8.006 8.240 -0.103 0.000 0.518 75 R N 0.847 121.284 120.500 -0.105 0.000 2.540 75 R HA 0.227 4.549 4.340 -0.029 0.000 0.287 75 R C -0.745 175.502 176.300 -0.088 0.000 0.980 75 R CA -1.960 54.099 56.100 -0.068 0.000 0.966 75 R CB 0.812 31.079 30.300 -0.054 0.000 1.106 75 R HN -0.812 7.382 8.270 -0.128 0.000 0.480 76 Y N 4.811 125.026 120.300 -0.141 0.000 2.488 76 Y HA 0.137 4.715 4.550 -0.201 -0.149 0.385 76 Y C 0.243 176.072 175.900 -0.118 0.000 1.371 76 Y CA -0.183 57.825 58.100 -0.154 0.000 1.712 76 Y CB 1.598 39.981 38.460 -0.129 0.000 1.715 76 Y HN 0.164 8.498 8.280 0.091 0.000 0.607 77 R N 0.721 120.884 120.500 -0.561 0.000 2.560 77 R HA 0.235 4.239 4.340 -0.560 0.000 0.267 77 R C -0.912 175.257 176.300 -0.219 0.000 1.150 77 R CA 0.782 56.658 56.100 -0.373 0.000 0.997 77 R CB 1.369 31.623 30.300 -0.076 0.000 1.250 77 R HN 0.329 8.356 8.270 -0.406 0.000 0.433 78 N N 1.764 120.368 118.700 -0.161 0.000 2.965 78 N HA -0.331 4.381 4.740 -0.046 0.000 0.232 78 N C -1.308 174.136 175.510 -0.110 0.000 0.913 78 N CA 1.449 54.446 53.050 -0.089 0.000 0.981 78 N CB -0.274 38.179 38.487 -0.056 0.000 1.077 78 N HN 0.660 8.945 8.380 -0.158 0.000 0.589 79 I N -3.398 117.054 120.570 -0.197 0.000 3.739 79 I HA -0.039 4.036 4.170 -0.159 0.000 0.272 79 I C -1.689 174.329 176.117 -0.166 0.000 1.167 79 I CA 0.127 61.284 61.300 -0.239 0.000 1.386 79 I CB 2.274 40.017 38.000 -0.427 0.000 1.490 79 I HN -0.446 7.532 8.210 -0.262 0.076 0.452 80 E N 0.446 120.514 120.200 -0.220 0.000 2.283 80 E HA 0.344 4.784 4.350 -0.066 -0.129 0.267 80 E C -0.806 175.746 176.600 -0.079 0.000 1.045 80 E CA -1.125 55.191 56.400 -0.141 0.000 0.884 80 E CB 1.921 31.499 29.700 -0.203 0.000 1.106 80 E HN -0.468 7.700 8.360 -0.321 0.000 0.408 81 K N -0.134 120.259 120.400 -0.011 0.000 2.318 81 K HA 0.404 4.745 4.320 0.035 0.000 0.249 81 K C -1.694 174.927 176.600 0.035 0.000 0.942 81 K CA -1.403 54.901 56.287 0.029 0.000 0.808 81 K CB 3.648 36.178 32.500 0.050 0.000 1.189 81 K HN 0.484 8.734 8.250 0.001 0.000 0.428 82 I N 3.133 123.733 120.570 0.049 0.000 2.389 82 I HA 0.849 5.255 4.170 0.032 -0.216 0.288 82 I C -0.273 175.867 176.117 0.037 0.000 0.999 82 I CA -1.069 60.257 61.300 0.042 0.000 1.129 82 I CB 2.193 40.225 38.000 0.055 0.000 1.288 82 I HN 0.317 8.562 8.210 0.058 0.000 0.444 83 S N 7.073 122.795 115.700 0.037 0.000 2.607 83 S HA 0.451 4.932 4.470 0.018 0.000 0.303 83 S C -1.638 172.975 174.600 0.022 0.000 1.086 83 S CA -0.984 57.232 58.200 0.025 0.000 0.995 83 S CB 2.627 65.843 63.200 0.027 0.000 1.084 83 S HN 0.763 9.099 8.310 0.043 0.000 0.507 84 M N 0.103 119.706 119.600 0.005 0.000 2.706 84 M HA 0.166 4.653 4.480 0.013 0.000 0.304 84 M C -0.891 175.400 176.300 -0.016 0.000 1.217 84 M CA -0.658 54.642 55.300 0.001 0.000 0.922 84 M CB 2.183 34.779 32.600 -0.007 0.000 1.637 84 M HN 0.152 8.441 8.290 -0.002 0.000 0.492 85 L N -1.518 119.692 121.223 -0.021 0.000 2.334 85 L HA 0.267 4.698 4.340 -0.055 -0.124 0.275 85 L C -0.899 175.934 176.870 -0.063 0.000 1.036 85 L CA -0.494 54.320 54.840 -0.044 0.000 0.807 85 L CB 1.078 43.117 42.059 -0.034 0.000 1.231 85 L HN 0.525 8.746 8.230 -0.014 0.000 0.438 86 E N 1.232 121.377 120.200 -0.091 0.000 2.110 86 E HA -0.048 4.259 4.350 -0.071 0.000 0.193 86 E C 0.170 176.701 176.600 -0.114 0.000 0.950 86 E CA 1.315 57.659 56.400 -0.092 0.000 0.840 86 E CB 1.885 31.521 29.700 -0.106 0.000 0.809 86 E HN 0.771 8.962 8.360 -0.110 0.103 0.465 87 K N -3.632 116.679 120.400 -0.148 0.000 2.532 87 K HA 0.305 4.565 4.320 -0.256 -0.093 0.265 87 K C -2.256 174.178 176.600 -0.275 0.000 0.948 87 K CA -2.150 53.975 56.287 -0.271 0.000 0.842 87 K CB 3.959 36.233 32.500 -0.378 0.000 1.392 87 K HN -0.640 7.525 8.250 -0.142 0.000 0.436 88 I N 0.463 120.802 120.570 -0.385 0.000 2.509 88 I HA 0.477 4.812 4.170 0.022 -0.151 0.293 88 I C -0.847 175.068 176.117 -0.337 0.000 1.020 88 I CA -1.135 60.065 61.300 -0.168 0.000 1.088 88 I CB 2.927 40.887 38.000 -0.067 0.000 1.267 88 I HN 0.281 8.216 8.210 -0.458 0.000 0.430 89 Y N 5.488 125.908 120.300 0.200 0.000 2.338 89 Y HA 0.161 4.818 4.550 0.179 0.000 0.333 89 Y C -1.650 174.465 175.900 0.359 0.000 0.968 89 Y CA -0.898 57.359 58.100 0.262 0.000 1.123 89 Y CB 2.251 40.894 38.460 0.306 0.000 1.165 89 Y HN 0.889 9.403 8.280 0.390 0.000 0.452 90 I N 2.158 122.959 120.570 0.386 0.000 2.577 90 I HA 0.164 4.462 4.170 0.214 0.000 0.305 90 I C -0.588 175.634 176.117 0.174 0.000 0.986 90 I CA -2.231 59.215 61.300 0.243 0.000 1.189 90 I CB 1.556 39.666 38.000 0.183 0.000 1.355 90 I HN 0.393 8.793 8.210 0.318 0.000 0.476 91 H N 6.418 125.340 119.070 -0.245 0.000 2.929 91 H HA 0.081 3.977 4.556 -1.100 0.000 0.317 91 H C 0.262 175.498 175.328 -0.153 0.000 1.031 91 H CA 0.116 55.768 56.048 -0.660 0.000 1.466 91 H CB 1.574 30.843 29.762 -0.820 0.000 1.482 91 H HN -0.366 7.867 8.280 -0.078 0.000 0.561 92 P HA -0.181 4.331 4.420 0.153 0.000 0.218 92 P C -0.045 177.380 177.300 0.208 0.000 1.146 92 P CA 1.603 64.774 63.100 0.118 0.000 0.813 92 P CB 0.349 32.087 31.700 0.064 0.000 0.778 93 R N -3.714 117.014 120.500 0.379 0.000 2.609 93 R HA 0.180 4.570 4.340 0.082 0.000 0.326 93 R C -0.429 175.905 176.300 0.058 0.000 1.090 93 R CA -1.310 54.877 56.100 0.146 0.000 1.072 93 R CB -0.250 30.096 30.300 0.078 0.000 1.330 93 R HN -0.296 8.503 8.270 0.950 0.041 0.572 94 Y N 3.575 123.891 120.300 0.027 0.000 2.632 94 Y HA -0.113 4.660 4.550 -0.088 -0.276 0.329 94 Y C -0.733 175.174 175.900 0.012 0.000 1.174 94 Y CA -0.975 57.129 58.100 0.008 0.000 1.469 94 Y CB 0.229 38.753 38.460 0.107 0.000 1.242 94 Y HN -0.367 8.028 8.280 0.320 0.077 0.540 95 N N 8.204 126.783 118.700 -0.201 0.000 2.801 95 N HA 0.136 4.540 4.740 -0.560 0.000 0.235 95 N C -0.931 174.258 175.510 -0.535 0.000 1.069 95 N CA -1.923 50.869 53.050 -0.429 0.000 0.946 95 N CB -0.393 37.937 38.487 -0.261 0.000 1.212 95 N HN 0.452 8.857 8.380 0.042 0.000 0.509 96 W N 3.120 123.965 121.300 -0.759 0.000 2.564 96 W HA 0.077 4.486 4.660 -0.418 0.000 0.447 96 W C -0.478 175.865 176.519 -0.294 0.000 0.701 96 W CA -2.438 54.573 57.345 -0.557 0.000 2.223 96 W CB -2.528 26.585 29.460 -0.578 0.000 0.990 96 W HN 0.001 7.463 8.180 -1.196 0.000 0.698 97 E N 3.249 123.255 120.200 -0.324 0.000 2.110 97 E HA -0.545 3.669 4.350 -0.226 0.000 0.225 97 E C -0.419 176.019 176.600 -0.271 0.000 1.063 97 E CA 3.553 59.801 56.400 -0.254 0.000 0.906 97 E CB 0.028 29.589 29.700 -0.232 0.000 0.795 97 E HN -0.084 8.366 8.360 -0.383 -0.321 0.479 98 N N -4.664 113.873 118.700 -0.272 0.000 2.299 98 N HA -0.012 4.423 4.740 -0.509 0.000 0.246 98 N C -0.581 174.754 175.510 -0.291 0.000 1.254 98 N CA -0.881 51.953 53.050 -0.360 0.000 0.879 98 N CB 0.081 38.394 38.487 -0.290 0.000 1.214 98 N HN -0.278 7.958 8.380 -0.239 0.000 0.510 99 L N -3.293 117.837 121.223 -0.155 0.000 3.678 99 L HA -0.495 4.073 4.340 0.213 -0.100 0.425 99 L C -1.871 175.090 176.870 0.152 0.000 1.240 99 L CA 0.752 55.645 54.840 0.088 0.000 0.876 99 L CB -2.861 39.256 42.059 0.096 0.000 1.766 99 L HN -0.053 8.070 8.230 -0.179 0.000 0.917 100 D N -1.664 118.768 120.400 0.054 0.000 2.350 100 D HA -0.052 4.641 4.640 0.088 0.000 0.249 100 D C -0.100 176.239 176.300 0.065 0.000 1.119 100 D CA 0.557 54.585 54.000 0.046 0.000 0.886 100 D CB 1.224 42.003 40.800 -0.035 0.000 1.195 100 D HN -0.750 7.673 8.370 -0.033 -0.073 0.437 101 R N -0.726 119.785 120.500 0.019 0.000 3.201 101 R HA -0.411 3.866 4.340 -0.105 0.000 0.254 101 R C -1.497 174.814 176.300 0.018 0.000 0.978 101 R CA 0.943 56.982 56.100 -0.102 0.000 0.661 101 R CB -1.417 28.638 30.300 -0.409 0.000 1.170 101 R HN 0.764 9.058 8.270 0.041 0.000 0.430 102 D N -1.084 119.369 120.400 0.089 0.000 2.517 102 D HA 0.083 4.638 4.640 -0.142 0.000 0.220 102 D C -1.932 174.365 176.300 -0.004 0.000 1.158 102 D CA -0.472 53.549 54.000 0.035 0.000 0.992 102 D CB -0.289 40.637 40.800 0.210 0.000 1.058 102 D HN 0.017 8.455 8.370 0.114 0.000 0.516 103 I N 2.790 123.320 120.570 -0.067 0.000 2.827 103 I HA 0.767 5.154 4.170 0.088 -0.164 0.298 103 I C -3.172 172.976 176.117 0.052 0.000 1.235 103 I CA -1.857 59.468 61.300 0.043 0.000 1.021 103 I CB 4.199 42.265 38.000 0.110 0.000 1.259 103 I HN -0.481 7.611 8.210 -0.148 0.029 0.427 104 A N 4.439 127.392 122.820 0.221 0.000 2.604 104 A HA 0.855 5.587 4.320 0.479 -0.125 0.295 104 A C -2.848 175.000 177.584 0.441 0.000 1.067 104 A CA -1.091 51.151 52.037 0.342 0.000 0.683 104 A CB 3.768 22.873 19.000 0.174 0.000 1.281 104 A HN 0.098 8.392 8.150 0.240 0.000 0.407 105 L N -0.115 121.437 121.223 0.549 0.000 2.354 105 L HA 0.846 5.604 4.340 0.434 -0.158 0.269 105 L C -1.397 175.818 176.870 0.575 0.000 1.005 105 L CA -1.554 53.596 54.840 0.517 0.000 0.819 105 L CB 4.573 46.863 42.059 0.385 0.000 1.311 105 L HN 0.638 9.259 8.230 0.650 0.000 0.423 106 M N 0.147 120.049 119.600 0.504 0.000 2.326 106 M HA 0.674 5.494 4.480 0.270 -0.178 0.306 106 M C -1.745 174.626 176.300 0.118 0.000 1.054 106 M CA -1.030 54.443 55.300 0.288 0.000 0.922 106 M CB 3.804 36.503 32.600 0.165 0.000 1.632 106 M HN 0.744 9.342 8.290 0.513 0.000 0.436 107 K N 3.841 124.143 120.400 -0.163 0.000 2.183 107 K HA 0.703 4.483 4.320 -1.179 -0.168 0.274 107 K C -1.311 175.084 176.600 -0.341 0.000 1.009 107 K CA -1.655 54.200 56.287 -0.720 0.000 0.888 107 K CB 3.011 35.030 32.500 -0.802 0.000 1.078 107 K HN 0.847 8.966 8.250 -0.036 0.110 0.459 108 L N 5.442 126.472 121.223 -0.320 0.000 2.418 108 L HA 0.145 4.553 4.340 -0.104 -0.130 0.265 108 L C 0.306 177.089 176.870 -0.144 0.000 1.143 108 L CA 0.154 54.902 54.840 -0.154 0.000 0.809 108 L CB 0.384 42.389 42.059 -0.091 0.000 1.124 108 L HN 0.511 8.369 8.230 -0.445 0.105 0.456 109 K N 0.639 120.987 120.400 -0.086 0.000 2.009 109 K HA -0.289 3.987 4.320 -0.073 0.000 0.210 109 K C 0.301 176.864 176.600 -0.061 0.000 1.049 109 K CA 2.122 58.370 56.287 -0.066 0.000 0.929 109 K CB 0.596 33.071 32.500 -0.041 0.000 0.714 109 K HN 0.500 8.710 8.250 -0.065 0.000 0.440 110 K N -3.853 116.517 120.400 -0.050 0.000 2.340 110 K HA 0.352 4.645 4.320 -0.045 0.000 0.244 110 K C -3.012 173.563 176.600 -0.043 0.000 0.973 110 K CA -2.754 53.508 56.287 -0.042 0.000 0.828 110 K CB 0.922 33.406 32.500 -0.027 0.000 1.226 110 K HN -0.077 8.147 8.250 -0.042 0.000 0.437 111 P HA 0.084 4.663 4.420 -0.028 -0.175 0.272 111 P C -1.070 176.211 177.300 -0.033 0.000 1.223 111 P CA -0.446 62.630 63.100 -0.040 0.000 0.784 111 P CB 0.530 32.196 31.700 -0.057 0.000 0.923 112 V N 0.948 120.856 119.914 -0.009 0.000 2.732 112 V HA 0.107 4.228 4.120 0.002 0.000 0.310 112 V C -1.403 174.640 176.094 -0.085 0.000 1.053 112 V CA -2.671 59.636 62.300 0.013 0.000 0.957 112 V CB 2.697 34.583 31.823 0.106 0.000 1.018 112 V HN 0.006 8.207 8.190 0.019 0.000 0.452 113 A N 5.583 128.360 122.820 -0.072 0.000 2.306 113 A HA 0.210 4.278 4.320 -0.420 0.000 0.314 113 A C -0.889 176.692 177.584 -0.005 0.000 1.164 113 A CA -0.663 51.265 52.037 -0.182 0.000 0.822 113 A CB 1.211 20.157 19.000 -0.090 0.000 1.130 113 A HN -0.160 7.984 8.150 -0.010 0.000 0.496 114 F N -0.362 119.564 119.950 -0.040 0.000 2.399 114 F HA 0.169 4.764 4.527 -0.029 -0.085 0.313 114 F C 0.176 175.995 175.800 0.032 0.000 1.202 114 F CA -2.270 55.694 58.000 -0.060 0.000 1.192 114 F CB 0.777 39.579 39.000 -0.330 0.000 1.256 114 F HN -0.038 7.928 8.300 -0.557 0.000 0.558 115 S N -1.497 114.391 115.700 0.313 0.000 2.757 115 S HA 0.262 4.816 4.470 0.141 0.000 0.285 115 S C -0.713 173.928 174.600 0.069 0.000 1.196 115 S CA -0.837 57.462 58.200 0.164 0.000 0.856 115 S CB 2.327 65.624 63.200 0.161 0.000 1.212 115 S HN 0.546 8.980 8.310 0.378 0.103 0.516 116 D N -0.795 119.461 120.400 -0.240 0.000 2.312 116 D HA -0.091 4.361 4.640 -0.313 0.000 0.211 116 D C 0.447 176.397 176.300 -0.583 0.000 0.964 116 D CA 2.542 56.247 54.000 -0.492 0.000 0.877 116 D CB -0.325 40.014 40.800 -0.767 0.000 0.924 116 D HN 0.564 8.778 8.370 -0.260 0.000 0.515 117 Y N -4.297 116.005 120.300 0.002 0.000 2.481 117 Y HA 0.013 4.509 4.550 -0.090 0.000 0.258 117 Y C -0.400 175.492 175.900 -0.013 0.000 1.103 117 Y CA 0.002 58.081 58.100 -0.035 0.000 1.287 117 Y CB 1.451 39.895 38.460 -0.027 0.000 1.108 117 Y HN -0.633 7.425 8.280 -0.290 0.048 0.529 118 I N -1.630 119.043 120.570 0.172 0.000 2.410 118 I HA 0.344 4.772 4.170 0.107 -0.193 0.286 118 I C -1.524 174.677 176.117 0.139 0.000 1.009 118 I CA -0.943 60.453 61.300 0.159 0.000 1.111 118 I CB 1.443 39.571 38.000 0.213 0.000 1.262 118 I HN -0.467 7.746 8.210 0.181 0.105 0.443 119 H N 7.487 126.480 119.070 -0.129 0.000 3.085 119 H HA 0.334 4.368 4.556 -0.871 0.000 0.356 119 H C -2.944 172.270 175.328 -0.189 0.000 1.178 119 H CA -1.049 54.774 56.048 -0.375 0.000 1.214 119 H CB 4.252 33.885 29.762 -0.215 0.000 1.881 119 H HN -0.052 8.149 8.280 0.039 0.102 0.538 120 P HA 0.049 4.699 4.420 0.114 -0.161 0.274 120 P C -1.467 175.915 177.300 0.138 0.000 1.237 120 P CA -0.712 62.380 63.100 -0.014 0.000 0.793 120 P CB 1.505 33.130 31.700 -0.124 0.000 0.977 121 V N -0.641 119.290 119.914 0.028 0.000 2.834 121 V HA 0.134 3.985 4.120 -0.447 0.000 0.313 121 V C -0.364 175.598 176.094 -0.220 0.000 1.060 121 V CA -1.700 60.385 62.300 -0.359 0.000 0.989 121 V CB 3.090 34.421 31.823 -0.820 0.000 1.041 121 V HN 0.178 8.407 8.190 0.064 0.000 0.459 122 C N 5.485 124.604 119.300 -0.303 0.000 2.398 122 C HA 0.217 4.625 4.460 -0.086 0.000 0.364 122 C C -0.987 174.010 174.990 0.011 0.000 1.219 122 C CA 0.021 58.927 59.018 -0.187 0.000 2.312 122 C CB 0.684 28.130 27.740 -0.490 0.000 2.428 122 C HN -0.118 7.843 8.230 -0.449 0.000 0.564 123 L N 1.131 122.438 121.223 0.141 0.000 2.325 123 L HA 0.501 4.963 4.340 0.203 0.000 0.278 123 L C -1.054 176.003 176.870 0.312 0.000 1.023 123 L CA -2.364 52.602 54.840 0.209 0.000 0.811 123 L CB 1.340 43.492 42.059 0.155 0.000 1.249 123 L HN 0.287 8.587 8.230 0.116 0.000 0.431 124 P HA 0.161 4.539 4.420 -0.068 0.000 0.279 124 P C -2.049 175.266 177.300 0.025 0.000 1.252 124 P CA -0.948 62.168 63.100 0.028 0.000 0.811 124 P CB 0.939 32.578 31.700 -0.101 0.000 1.035 125 D N -2.358 117.932 120.400 -0.183 0.000 2.299 125 D HA 0.140 4.840 4.640 0.101 0.000 0.243 125 D C 1.126 177.088 176.300 -0.564 0.000 0.982 125 D CA -1.960 51.952 54.000 -0.147 0.000 0.924 125 D CB 2.637 43.396 40.800 -0.070 0.000 1.238 125 D HN -0.150 8.023 8.370 -0.328 0.000 0.484 126 R N -0.111 120.006 120.500 -0.638 0.000 2.190 126 R HA -0.520 2.778 4.340 -1.736 0.000 0.255 126 R C 1.891 177.896 176.300 -0.491 0.000 1.143 126 R CA 4.278 59.909 56.100 -0.780 0.000 0.965 126 R CB -0.001 30.240 30.300 -0.099 0.000 0.889 126 R HN 0.458 8.646 8.270 -0.136 0.000 0.448 127 E N -4.389 115.626 120.200 -0.307 0.000 2.077 127 E HA -0.167 4.069 4.350 -0.190 0.000 0.193 127 E C 0.284 176.717 176.600 -0.279 0.000 0.989 127 E CA 2.033 58.295 56.400 -0.231 0.000 0.800 127 E CB -0.238 29.366 29.700 -0.160 0.000 0.746 127 E HN -0.398 7.900 8.360 -0.249 -0.087 0.452 128 T N 0.968 115.305 114.554 -0.363 0.000 2.817 128 T HA -0.185 3.963 4.350 -0.338 0.000 0.295 128 T C 0.185 174.660 174.700 -0.374 0.000 0.958 128 T CA 2.853 64.704 62.100 -0.416 0.000 1.157 128 T CB -0.515 67.945 68.868 -0.680 0.000 0.898 128 T HN -0.525 7.686 8.240 -0.377 -0.198 0.536 129 L N 1.216 122.407 121.223 -0.053 0.000 2.346 129 L HA -0.421 4.096 4.340 0.296 0.000 0.468 129 L C -0.315 176.524 176.870 -0.051 0.000 0.714 129 L CA 1.977 56.849 54.840 0.052 0.000 3.079 129 L CB -1.976 40.057 42.059 -0.044 0.000 0.758 129 L HN 0.866 9.015 8.230 -0.135 0.000 0.731 130 L N -0.268 120.839 121.223 -0.193 0.000 2.376 130 L HA -0.057 4.078 4.340 -0.342 0.000 0.250 130 L C -1.183 175.480 176.870 -0.345 0.000 1.335 130 L CA 0.065 54.717 54.840 -0.313 0.000 1.214 130 L CB -1.873 39.974 42.059 -0.353 0.000 1.395 130 L HN -0.027 8.089 8.230 -0.189 0.000 0.424 131 Q N 0.492 120.002 119.800 -0.482 0.000 2.356 131 Q HA 0.252 4.343 4.340 -0.415 0.000 0.270 131 Q C -1.205 174.469 176.000 -0.543 0.000 1.058 131 Q CA -2.001 53.429 55.803 -0.621 0.000 0.802 131 Q CB 3.897 32.009 28.738 -1.044 0.000 1.303 131 Q HN -0.061 7.881 8.270 -0.460 0.052 0.444 132 A N 2.939 125.551 122.820 -0.346 0.000 2.540 132 A HA -0.267 3.965 4.320 -0.193 -0.028 0.239 132 A C 0.293 177.769 177.584 -0.179 0.000 1.061 132 A CA 1.801 53.706 52.037 -0.219 0.000 0.758 132 A CB -0.441 18.463 19.000 -0.161 0.000 0.991 132 A HN 0.631 8.598 8.150 -0.304 0.000 0.502 133 G N 2.999 111.757 108.800 -0.070 0.000 2.259 133 G HA2 -0.244 3.733 3.960 0.029 0.000 0.217 133 G HA3 -0.244 3.752 3.960 0.060 0.000 0.217 133 G C -0.475 174.551 174.900 0.210 0.000 1.001 133 G CA -0.268 44.862 45.100 0.049 0.000 0.627 133 G HN 0.344 8.479 8.290 -0.077 0.109 0.501 134 Y N 1.870 122.134 120.300 -0.060 0.000 2.304 134 Y HA 0.004 4.526 4.550 -0.047 0.000 0.327 134 Y C -0.685 175.194 175.900 -0.036 0.000 1.209 134 Y CA -1.677 56.391 58.100 -0.054 0.000 1.299 134 Y CB 0.839 39.255 38.460 -0.073 0.000 1.249 134 Y HN -0.296 7.942 8.280 0.059 0.077 0.519 135 K N -0.149 120.314 120.400 0.105 0.000 2.118 135 K HA 0.560 5.108 4.320 0.068 -0.188 0.254 135 K C -0.455 176.146 176.600 0.002 0.000 0.961 135 K CA -1.104 55.212 56.287 0.049 0.000 0.876 135 K CB 2.872 35.385 32.500 0.021 0.000 1.077 135 K HN 0.101 8.378 8.250 0.045 0.000 0.440 136 G N -0.953 107.792 108.800 -0.092 0.000 2.816 136 G HA2 0.690 4.546 3.960 -0.303 0.000 0.288 136 G HA3 0.690 3.931 3.960 -1.199 0.000 0.288 136 G C -2.798 171.800 174.900 -0.505 0.000 1.334 136 G CA -1.353 43.436 45.100 -0.518 0.000 0.978 136 G HN 0.473 8.640 8.290 -0.030 0.106 0.493 137 R N -0.672 119.491 120.500 -0.561 0.000 2.621 137 R HA 0.924 5.347 4.340 -0.173 -0.187 0.292 137 R C -2.030 174.108 176.300 -0.270 0.000 0.969 137 R CA -1.394 54.556 56.100 -0.250 0.000 0.887 137 R CB 4.135 34.422 30.300 -0.023 0.000 1.180 137 R HN 0.419 8.279 8.270 -0.684 0.000 0.450 138 V N 6.294 126.149 119.914 -0.098 0.000 2.680 138 V HA 1.070 5.463 4.120 0.045 -0.246 0.309 138 V C -1.021 175.076 176.094 0.005 0.000 1.052 138 V CA -2.256 60.063 62.300 0.032 0.000 0.908 138 V CB 3.405 35.342 31.823 0.190 0.000 1.001 138 V HN 0.634 8.790 8.190 -0.056 0.000 0.431 139 T N 0.931 115.483 114.554 -0.003 0.000 2.906 139 T HA 0.864 5.313 4.350 -0.128 -0.176 0.295 139 T C -1.040 173.566 174.700 -0.157 0.000 1.061 139 T CA -2.381 59.648 62.100 -0.118 0.000 1.000 139 T CB 3.403 72.170 68.868 -0.170 0.000 1.103 139 T HN -0.243 8.026 8.240 0.048 0.000 0.486 140 G N 0.346 108.964 108.800 -0.303 0.000 2.338 140 G HA2 0.244 3.957 3.960 -0.413 0.000 0.295 140 G HA3 0.244 4.344 3.960 -0.078 -0.187 0.295 140 G C -2.352 172.347 174.900 -0.335 0.000 1.461 140 G CA 0.618 45.544 45.100 -0.290 0.000 0.817 140 G HN -0.352 7.727 8.290 -0.353 0.000 0.556 141 W N 1.142 122.461 121.300 0.032 0.000 2.616 141 W HA 0.422 5.082 4.660 -0.001 0.000 0.419 141 W C -0.609 175.931 176.519 0.035 0.000 0.835 141 W CA -1.234 56.122 57.345 0.018 0.000 2.483 141 W CB -0.397 29.073 29.460 0.017 0.000 1.289 141 W HN 0.565 8.879 8.180 0.222 0.000 0.755 142 G N 0.383 109.288 108.800 0.174 0.000 2.557 142 G HA2 0.092 4.162 3.960 0.157 0.000 0.292 142 G HA3 0.092 4.388 3.960 0.118 -0.265 0.292 142 G C -0.869 174.095 174.900 0.107 0.000 1.237 142 G CA -1.049 44.134 45.100 0.138 0.000 0.978 142 G HN -0.616 7.784 8.290 0.103 -0.048 0.498 143 N N -0.886 117.868 118.700 0.091 0.000 2.329 143 N HA -0.280 4.615 4.740 0.072 -0.112 0.237 143 N C 0.362 175.909 175.510 0.062 0.000 1.258 143 N CA 1.095 54.188 53.050 0.072 0.000 0.866 143 N CB 0.038 38.564 38.487 0.064 0.000 1.102 143 N HN 0.157 8.593 8.380 0.094 0.000 0.440 144 L N -0.991 120.263 121.223 0.053 0.000 2.556 144 L HA 0.191 4.814 4.340 0.043 -0.257 0.226 144 L C 0.461 177.354 176.870 0.039 0.000 1.089 144 L CA 0.354 55.219 54.840 0.043 0.000 0.864 144 L CB 1.146 43.229 42.059 0.039 0.000 1.067 144 L HN 0.468 8.730 8.230 0.052 0.000 0.477 145 K N -3.935 116.489 120.400 0.039 0.000 2.509 145 K HA 0.165 4.505 4.320 0.033 0.000 0.266 145 K C -0.963 175.660 176.600 0.038 0.000 0.987 145 K CA -0.973 55.335 56.287 0.035 0.000 0.868 145 K CB 2.617 35.134 32.500 0.029 0.000 1.421 145 K HN -0.713 7.523 8.250 0.043 0.040 0.444 146 E N 0.164 120.385 120.200 0.035 0.000 2.077 146 E HA -0.249 4.127 4.350 0.042 0.000 0.193 146 E C -0.002 176.618 176.600 0.035 0.000 0.989 146 E CA 2.226 58.648 56.400 0.037 0.000 0.800 146 E CB 0.519 30.239 29.700 0.032 0.000 0.746 146 E HN 0.348 8.727 8.360 0.031 0.000 0.452 151 Q N 0.270 120.099 119.800 0.050 0.000 2.359 151 Q HA 0.410 4.794 4.340 0.073 0.000 0.275 151 Q C -2.066 173.974 176.000 0.067 0.000 1.082 151 Q CA -2.440 53.404 55.803 0.067 0.000 0.849 151 Q CB 1.801 30.581 28.738 0.069 0.000 1.377 151 Q HN -0.173 8.124 8.270 0.044 0.000 0.452 152 P HA 0.356 4.810 4.420 0.056 0.000 0.287 152 P C -0.503 176.850 177.300 0.088 0.000 1.292 152 P CA -1.558 61.590 63.100 0.079 0.000 0.879 152 P CB 2.079 33.827 31.700 0.080 0.000 1.214 153 S N -1.279 114.458 115.700 0.062 0.000 2.456 153 S HA 0.028 4.524 4.470 0.044 0.000 0.224 153 S C -0.014 174.621 174.600 0.057 0.000 1.035 153 S CA 2.319 60.547 58.200 0.048 0.000 0.940 153 S CB 0.595 63.814 63.200 0.031 0.000 0.799 153 S HN 0.506 8.845 8.310 0.047 0.000 0.508 154 V N -3.325 116.611 119.914 0.036 0.000 3.181 154 V HA 0.834 5.125 4.120 0.015 -0.162 0.314 154 V C -1.094 174.990 176.094 -0.018 0.000 1.173 154 V CA -2.632 59.628 62.300 -0.067 0.000 1.052 154 V CB 2.711 34.316 31.823 -0.363 0.000 1.123 154 V HN -0.905 7.301 8.190 0.027 0.000 0.454 155 L N -0.462 120.621 121.223 -0.234 0.000 2.490 155 L HA -0.030 3.680 4.340 -1.051 0.000 0.274 155 L C -0.823 175.846 176.870 -0.335 0.000 1.201 155 L CA 0.764 55.252 54.840 -0.586 0.000 0.869 155 L CB 0.825 42.524 42.059 -0.599 0.000 1.123 155 L HN -0.308 7.674 8.230 -0.413 0.000 0.484 156 Q N 3.705 123.317 119.800 -0.315 0.000 2.297 156 Q HA 0.931 5.397 4.340 -0.113 -0.194 0.268 156 Q C -1.250 174.662 176.000 -0.148 0.000 1.045 156 Q CA -1.953 53.757 55.803 -0.155 0.000 0.861 156 Q CB 3.584 32.269 28.738 -0.088 0.000 1.344 156 Q HN -0.017 7.991 8.270 -0.437 0.000 0.452 157 V N 0.460 120.325 119.914 -0.082 0.000 3.007 157 V HA 0.913 5.185 4.120 -0.074 -0.196 0.311 157 V C -2.640 173.447 176.094 -0.012 0.000 1.120 157 V CA -2.761 59.503 62.300 -0.061 0.000 0.980 157 V CB 4.366 36.147 31.823 -0.070 0.000 1.033 157 V HN 0.670 8.826 8.190 -0.056 0.000 0.429 158 V N 4.175 124.095 119.914 0.009 0.000 3.000 158 V HA 0.248 4.400 4.120 0.054 0.000 0.300 158 V C -2.974 173.150 176.094 0.050 0.000 1.251 158 V CA -1.137 61.193 62.300 0.051 0.000 0.972 158 V CB 4.382 36.252 31.823 0.079 0.000 1.065 158 V HN -0.072 8.115 8.190 -0.005 0.000 0.431 159 N N 6.631 125.380 118.700 0.082 0.000 2.417 159 N HA 0.671 5.584 4.740 -0.011 -0.180 0.274 159 N C -1.397 174.173 175.510 0.099 0.000 0.987 159 N CA -0.685 52.400 53.050 0.058 0.000 0.912 159 N CB 1.364 39.896 38.487 0.075 0.000 1.177 159 N HN 0.190 8.637 8.380 0.111 0.000 0.490 160 L N 1.624 122.864 121.223 0.030 0.000 2.370 160 L HA 0.598 4.814 4.340 -0.206 0.000 0.266 160 L C -2.454 174.375 176.870 -0.069 0.000 1.002 160 L CA -3.619 51.187 54.840 -0.058 0.000 0.818 160 L CB 2.936 45.032 42.059 0.063 0.000 1.325 160 L HN 0.561 8.778 8.230 -0.022 0.000 0.418 161 P HA 0.381 4.900 4.420 -0.003 -0.101 0.276 161 P C -0.819 176.450 177.300 -0.051 0.000 1.244 161 P CA -1.178 61.855 63.100 -0.111 0.000 0.801 161 P CB 0.906 32.495 31.700 -0.184 0.000 1.006 162 I N -0.086 120.472 120.570 -0.020 0.000 2.519 162 I HA -0.037 4.204 4.170 -0.058 -0.106 0.287 162 I C 0.059 176.101 176.117 -0.124 0.000 1.047 162 I CA 0.354 61.607 61.300 -0.077 0.000 1.381 162 I CB 1.156 39.069 38.000 -0.145 0.000 1.417 162 I HN 0.305 8.521 8.210 0.010 0.000 0.540 163 V N 6.152 125.968 119.914 -0.163 0.000 2.732 163 V HA 0.189 4.200 4.120 -0.182 0.000 0.310 163 V C -0.557 175.424 176.094 -0.189 0.000 1.053 163 V CA -1.359 60.806 62.300 -0.224 0.000 0.957 163 V CB 2.377 33.944 31.823 -0.428 0.000 1.018 163 V HN 0.228 8.326 8.190 -0.152 0.000 0.452 164 E N 4.305 124.406 120.200 -0.165 0.000 2.415 164 E HA -0.114 4.170 4.350 -0.109 0.000 0.263 164 E C 0.872 177.409 176.600 -0.105 0.000 0.995 164 E CA 0.507 56.837 56.400 -0.117 0.000 0.915 164 E CB 0.250 29.895 29.700 -0.091 0.000 0.951 164 E HN 0.238 8.498 8.360 -0.166 0.000 0.449 165 R N 5.036 125.501 120.500 -0.058 0.000 2.096 165 R HA -0.327 4.012 4.340 -0.002 0.000 0.240 165 R C -0.317 175.984 176.300 0.001 0.000 1.139 165 R CA 5.219 61.313 56.100 -0.010 0.000 0.952 165 R CB -2.389 27.925 30.300 0.023 0.000 0.854 165 R HN 0.510 8.747 8.270 -0.054 0.000 0.436 166 P HA -0.188 4.245 4.420 0.021 0.000 0.217 166 P C 1.434 178.735 177.300 0.001 0.000 1.158 166 P CA 3.031 66.133 63.100 0.003 0.000 0.887 166 P CB -0.722 30.975 31.700 -0.004 0.000 0.792 167 V N -1.693 118.194 119.914 -0.046 0.000 2.343 167 V HA -0.471 3.643 4.120 -0.010 0.000 0.247 167 V C 2.075 178.121 176.094 -0.080 0.000 1.051 167 V CA 3.811 66.066 62.300 -0.075 0.000 1.036 167 V CB -0.440 31.281 31.823 -0.169 0.000 0.654 167 V HN -0.528 7.624 8.190 -0.065 0.000 0.451 168 c N -1.281 117.251 118.600 -0.113 0.000 2.429 168 c HA -0.326 4.192 4.570 -0.086 0.000 0.277 168 c C 2.960 177.205 174.090 0.257 0.000 1.262 168 c CA 3.236 59.579 56.329 0.023 0.000 1.733 168 c CB -2.141 40.396 42.510 0.045 0.000 2.010 168 c HN -0.531 7.543 8.230 -0.130 0.078 0.483 169 K N -0.301 120.202 120.400 0.171 0.000 2.148 169 K HA -0.208 4.224 4.320 0.188 0.000 0.204 169 K C 2.541 179.221 176.600 0.133 0.000 1.050 169 K CA 3.179 59.558 56.287 0.155 0.000 0.942 169 K CB -0.246 32.313 32.500 0.098 0.000 0.724 169 K HN -0.083 8.231 8.250 0.107 0.000 0.446 170 D N -2.934 117.534 120.400 0.114 0.000 2.349 170 D HA 0.010 4.704 4.640 0.089 0.000 0.224 170 D C 0.536 176.923 176.300 0.146 0.000 1.029 170 D CA 1.885 55.948 54.000 0.105 0.000 0.879 170 D CB -0.379 40.467 40.800 0.076 0.000 0.906 170 D HN -0.162 8.154 8.370 0.095 0.111 0.528 171 S N -3.597 112.231 115.700 0.213 0.000 2.503 171 S HA -0.024 4.578 4.470 0.221 0.000 0.215 171 S C -0.403 174.342 174.600 0.242 0.000 1.003 171 S CA 1.222 59.584 58.200 0.270 0.000 0.910 171 S CB 1.833 65.312 63.200 0.465 0.000 0.790 171 S HN -0.399 7.862 8.310 0.229 0.187 0.514 172 T N -0.638 114.052 114.554 0.226 0.000 2.864 172 T HA 0.199 4.645 4.350 0.160 0.000 0.289 172 T C -0.985 173.773 174.700 0.097 0.000 1.082 172 T CA -1.411 60.796 62.100 0.177 0.000 1.009 172 T CB 2.417 71.436 68.868 0.250 0.000 1.234 172 T HN -0.910 7.465 8.240 0.224 0.000 0.526 173 R N 0.686 121.216 120.500 0.050 0.000 2.206 173 R HA 0.151 4.500 4.340 0.015 0.000 0.198 173 R C 0.807 177.087 176.300 -0.033 0.000 0.986 173 R CA 0.515 56.619 56.100 0.006 0.000 1.029 173 R CB 0.945 31.236 30.300 -0.013 0.000 0.966 173 R HN 0.274 8.576 8.270 0.053 0.000 0.487 174 I N -0.008 120.521 120.570 -0.067 0.000 2.813 174 I HA -0.247 3.820 4.170 -0.172 0.000 0.287 174 I C -0.724 175.334 176.117 -0.098 0.000 1.196 174 I CA 0.307 61.511 61.300 -0.160 0.000 1.421 174 I CB 0.653 38.435 38.000 -0.363 0.000 1.365 174 I HN -0.451 7.735 8.210 -0.040 0.000 0.591 175 R N 5.305 125.735 120.500 -0.118 0.000 2.267 175 R HA -0.078 4.243 4.340 -0.033 0.000 0.319 175 R C -1.181 175.093 176.300 -0.043 0.000 1.067 175 R CA -0.075 55.986 56.100 -0.065 0.000 0.936 175 R CB -0.090 30.164 30.300 -0.076 0.000 1.006 175 R HN 0.218 8.390 8.270 -0.162 0.000 0.452 176 I N 4.739 125.316 120.570 0.011 0.000 2.396 176 I HA 0.086 4.298 4.170 0.069 0.000 0.292 176 I C 0.536 176.692 176.117 0.065 0.000 0.999 176 I CA -2.533 58.807 61.300 0.066 0.000 1.310 176 I CB 0.293 38.376 38.000 0.138 0.000 1.404 176 I HN 0.214 8.437 8.210 0.022 0.000 0.496 177 T N 2.255 116.856 114.554 0.079 0.000 2.919 177 T HA 0.240 4.610 4.350 0.033 0.000 0.282 177 T C 0.204 174.953 174.700 0.081 0.000 1.020 177 T CA -1.960 60.172 62.100 0.052 0.000 0.994 177 T CB 2.909 71.792 68.868 0.025 0.000 1.180 177 T HN -0.390 7.915 8.240 0.108 0.000 0.566 178 D N -1.974 118.455 120.400 0.049 0.000 2.363 178 D HA -0.070 4.623 4.640 0.089 0.000 0.226 178 D C -0.170 176.165 176.300 0.059 0.000 1.020 178 D CA 1.674 55.705 54.000 0.052 0.000 0.892 178 D CB -0.558 40.241 40.800 -0.001 0.000 0.900 178 D HN 0.265 8.648 8.370 0.023 0.000 0.531 179 N N -1.751 116.994 118.700 0.074 0.000 2.295 179 N HA 0.086 4.866 4.740 0.067 0.000 0.221 179 N C -1.593 174.050 175.510 0.221 0.000 1.129 179 N CA -0.183 52.929 53.050 0.104 0.000 0.836 179 N CB 0.514 39.025 38.487 0.039 0.000 1.040 179 N HN -0.525 7.798 8.380 0.065 0.095 0.494 180 M N -2.488 117.272 119.600 0.267 0.000 2.575 180 M HA 0.813 5.608 4.480 0.191 -0.200 0.284 180 M C -2.422 174.079 176.300 0.335 0.000 1.253 180 M CA -0.360 55.094 55.300 0.257 0.000 0.861 180 M CB 5.362 38.126 32.600 0.273 0.000 1.733 180 M HN -0.794 7.565 8.290 0.253 0.083 0.462 181 F N -4.131 115.906 119.950 0.144 0.000 2.685 181 F HA 0.652 5.201 4.527 0.037 0.000 0.315 181 F C -2.981 172.734 175.800 -0.142 0.000 1.126 181 F CA -1.631 56.363 58.000 -0.009 0.000 0.950 181 F CB 2.581 41.490 39.000 -0.152 0.000 1.360 181 F HN 0.050 8.250 8.300 -0.167 0.000 0.469 182 c N -3.163 115.359 118.600 -0.130 0.000 2.889 182 c HA 1.106 5.487 4.570 -0.605 -0.173 0.307 182 c C -1.945 172.023 174.090 -0.203 0.000 1.251 182 c CA -3.894 52.117 56.329 -0.529 0.000 1.593 182 c CB 4.070 45.908 42.510 -1.120 0.000 2.104 182 c HN 0.445 8.676 8.230 0.003 0.000 0.476 183 A N 0.193 122.948 122.820 -0.107 0.000 2.520 183 A HA 0.733 5.099 4.320 -0.060 -0.081 0.298 183 A C -2.360 175.297 177.584 0.122 0.000 1.051 183 A CA -0.762 51.278 52.037 0.006 0.000 0.690 183 A CB 3.174 22.183 19.000 0.016 0.000 1.281 183 A HN 0.449 8.526 8.150 -0.122 0.000 0.402 184 Y N 2.620 123.021 120.300 0.168 0.000 2.301 184 Y HA 0.001 4.773 4.550 0.157 -0.128 0.328 184 Y C 0.587 176.590 175.900 0.172 0.000 1.242 184 Y CA -0.797 57.391 58.100 0.148 0.000 1.323 184 Y CB 1.789 40.297 38.460 0.080 0.000 1.266 184 Y HN 0.234 8.675 8.280 0.269 0.000 0.527 185 K N -0.781 119.826 120.400 0.346 0.000 2.365 185 K HA -0.058 4.455 4.320 0.322 0.000 0.197 185 K C 0.199 176.897 176.600 0.163 0.000 1.042 185 K CA -0.301 56.145 56.287 0.265 0.000 0.987 185 K CB -0.057 32.569 32.500 0.209 0.000 0.779 185 K HN 0.235 8.697 8.250 0.354 0.000 0.484 186 K N -1.920 118.292 120.400 -0.312 0.000 7.154 186 K HA -0.450 3.648 4.320 -0.369 0.000 0.575 186 K C -1.330 175.023 176.600 -0.412 0.000 2.583 186 K CA 1.014 56.952 56.287 -0.582 0.000 2.027 186 K CB -0.221 31.449 32.500 -1.382 0.000 2.075 186 K HN -0.002 8.107 8.250 -0.234 0.000 0.267 187 R N 1.444 121.815 120.500 -0.215 0.000 3.076 187 R HA 0.310 4.696 4.340 0.076 0.000 0.239 187 R C -1.461 174.921 176.300 0.136 0.000 1.392 187 R CA -1.611 54.496 56.100 0.012 0.000 1.044 187 R CB 2.351 32.653 30.300 0.003 0.000 1.389 187 R HN 0.081 8.220 8.270 -0.219 0.000 0.498 188 G N -1.637 107.250 108.800 0.145 0.000 2.379 188 G HA2 -0.170 4.141 3.960 0.111 0.000 0.609 188 G HA3 -0.170 3.919 3.960 0.216 0.000 0.609 188 G C -2.572 172.419 174.900 0.151 0.000 1.484 188 G CA -0.310 44.886 45.100 0.160 0.000 0.921 188 G HN 0.167 8.841 8.290 0.104 -0.321 0.658 189 D N -1.058 119.417 120.400 0.125 0.000 2.926 189 D HA 0.178 4.910 4.640 0.152 0.000 0.272 189 D C -2.511 173.854 176.300 0.108 0.000 1.172 189 D CA -0.118 53.952 54.000 0.117 0.000 0.731 189 D CB 3.095 43.937 40.800 0.070 0.000 1.282 189 D HN -0.408 8.029 8.370 0.113 0.000 0.430 190 A N -0.953 121.933 122.820 0.109 0.000 2.246 190 A HA 0.199 4.579 4.320 0.100 0.000 0.291 190 A C -2.032 175.592 177.584 0.067 0.000 1.103 190 A CA -0.916 51.179 52.037 0.097 0.000 0.844 190 A CB 2.180 21.241 19.000 0.100 0.000 1.136 190 A HN 0.321 8.535 8.150 0.106 0.000 0.500 191 c N -3.154 115.489 118.600 0.072 0.000 3.314 191 c HA 0.246 4.855 4.570 0.066 0.000 0.344 191 c C -1.459 172.683 174.090 0.088 0.000 1.461 191 c CA -0.949 55.423 56.329 0.072 0.000 1.249 191 c CB 3.294 45.843 42.510 0.066 0.000 1.632 191 c HN 0.056 8.577 8.230 0.080 -0.243 0.452 192 E N 1.573 121.826 120.200 0.089 0.000 2.608 192 E HA -0.354 4.068 4.350 0.119 0.000 0.259 192 E C 0.673 177.337 176.600 0.107 0.000 0.951 192 E CA 2.213 58.674 56.400 0.101 0.000 0.945 192 E CB 0.561 30.313 29.700 0.086 0.000 0.916 192 E HN 0.292 8.699 8.360 0.079 0.000 0.477 193 G N 6.479 115.352 108.800 0.120 0.000 2.254 193 G HA2 -0.364 3.671 3.960 0.125 0.000 0.225 193 G HA3 -0.364 3.676 3.960 0.134 0.000 0.225 193 G C 0.719 175.709 174.900 0.150 0.000 1.003 193 G CA 0.978 46.157 45.100 0.132 0.000 0.622 193 G HN 0.893 9.261 8.290 0.130 0.000 0.507 194 D N 1.211 121.691 120.400 0.132 0.000 2.346 194 D HA 0.086 4.808 4.640 0.137 0.000 0.206 194 D C 0.124 176.501 176.300 0.127 0.000 1.001 194 D CA 0.842 54.918 54.000 0.126 0.000 0.871 194 D CB 0.661 41.524 40.800 0.105 0.000 0.943 194 D HN 0.198 8.543 8.370 0.123 0.098 0.518 195 S N -0.422 115.356 115.700 0.130 0.000 2.553 195 S HA -0.556 4.001 4.470 0.144 0.000 0.293 195 S C 0.706 175.348 174.600 0.069 0.000 1.296 195 S CA 2.779 61.052 58.200 0.121 0.000 1.046 195 S CB 0.141 63.409 63.200 0.113 0.000 0.810 195 S HN -0.348 8.047 8.310 0.141 0.000 0.505 196 G N 3.266 112.105 108.800 0.067 0.000 2.253 196 G HA2 -0.468 3.614 3.960 0.067 0.000 0.251 196 G HA3 -0.468 3.649 3.960 0.052 -0.125 0.251 196 G C -0.230 174.755 174.900 0.142 0.000 0.998 196 G CA 0.247 45.394 45.100 0.078 0.000 0.621 196 G HN 0.505 8.849 8.290 0.090 0.000 0.524 197 G N 0.671 109.566 108.800 0.159 0.000 2.588 197 G HA2 0.436 4.573 3.960 0.185 0.000 0.281 197 G HA3 0.436 4.491 3.960 0.159 0.000 0.281 197 G C -2.838 172.194 174.900 0.219 0.000 1.236 197 G CA -2.032 43.176 45.100 0.180 0.000 0.969 197 G HN -0.443 7.842 8.290 0.147 0.092 0.504 198 P HA 0.474 5.178 4.420 0.255 -0.130 0.287 198 P C -2.117 175.337 177.300 0.255 0.000 1.270 198 P CA -1.479 61.761 63.100 0.233 0.000 0.844 198 P CB 1.932 33.743 31.700 0.184 0.000 1.068 199 F N 2.859 122.887 119.950 0.129 0.000 2.427 199 F HA 0.791 5.554 4.527 0.054 -0.204 0.348 199 F C -2.053 173.800 175.800 0.087 0.000 1.125 199 F CA -2.438 55.597 58.000 0.058 0.000 0.989 199 F CB 3.202 42.152 39.000 -0.083 0.000 1.165 199 F HN 0.072 8.592 8.300 0.367 0.000 0.442 200 V N 3.503 123.324 119.914 -0.156 0.000 3.001 200 V HA 0.959 5.288 4.120 0.119 -0.138 0.314 200 V C -2.280 173.834 176.094 0.032 0.000 1.099 200 V CA -3.012 59.315 62.300 0.045 0.000 0.989 200 V CB 4.007 35.898 31.823 0.113 0.000 1.040 200 V HN 0.807 8.792 8.190 -0.340 0.000 0.434 201 M N -0.008 119.667 119.600 0.124 0.000 2.619 201 M HA 0.410 4.873 4.480 -0.029 0.000 0.297 201 M C -1.952 174.255 176.300 -0.155 0.000 1.229 201 M CA -0.655 54.644 55.300 -0.002 0.000 0.860 201 M CB 5.152 37.748 32.600 -0.005 0.000 1.741 201 M HN 0.740 9.127 8.290 0.162 0.000 0.462 202 K N 1.371 121.471 120.400 -0.500 0.000 2.293 202 K HA 0.416 4.381 4.320 -0.850 -0.155 0.267 202 K C -0.673 175.693 176.600 -0.389 0.000 1.010 202 K CA -1.163 54.629 56.287 -0.825 0.000 0.875 202 K CB 1.190 32.833 32.500 -1.429 0.000 1.106 202 K HN 0.316 8.317 8.250 -0.415 0.000 0.450 203 S N 6.719 122.303 115.700 -0.193 0.000 2.110 203 S HA -0.228 4.168 4.470 -0.123 0.000 0.152 203 S C 0.441 174.952 174.600 -0.147 0.000 1.404 203 S CA 1.173 59.314 58.200 -0.099 0.000 2.390 203 S CB 0.870 64.118 63.200 0.080 0.000 0.276 203 S HN 0.830 9.063 8.310 -0.128 0.000 0.349 204 N N -0.099 118.594 118.700 -0.013 0.000 2.139 204 N HA -0.348 4.388 4.740 -0.006 0.000 0.233 204 N C -0.391 175.109 175.510 -0.016 0.000 1.321 204 N CA 0.930 53.982 53.050 0.003 0.000 0.801 204 N CB -1.304 37.209 38.487 0.043 0.000 1.254 204 N HN 0.539 8.915 8.380 -0.007 0.000 0.625 205 N N -5.573 113.094 118.700 -0.056 0.000 2.708 205 N HA -0.467 4.275 4.740 -0.165 -0.101 0.251 205 N C -1.496 173.936 175.510 -0.129 0.000 1.123 205 N CA 1.658 54.645 53.050 -0.105 0.000 0.739 205 N CB -0.686 37.766 38.487 -0.057 0.000 1.113 205 N HN -0.169 8.172 8.380 -0.065 0.000 0.561 206 R N -3.492 116.935 120.500 -0.122 0.000 2.643 206 R HA 0.151 4.444 4.340 -0.079 0.000 0.272 206 R C -1.140 174.973 176.300 -0.312 0.000 0.995 206 R CA -1.078 54.904 56.100 -0.197 0.000 1.032 206 R CB 2.560 32.653 30.300 -0.345 0.000 1.126 206 R HN -0.484 7.718 8.270 -0.043 0.042 0.505 207 W N -1.104 120.012 121.300 -0.306 0.000 2.417 207 W HA 0.520 5.302 4.660 -0.114 -0.190 0.317 207 W C -0.283 175.913 176.519 -0.538 0.000 1.121 207 W CA -0.799 56.371 57.345 -0.292 0.000 1.208 207 W CB 1.706 30.991 29.460 -0.291 0.000 1.253 207 W HN 0.245 8.428 8.180 0.005 0.000 0.533 208 Y N 0.228 120.504 120.300 -0.041 0.000 2.462 208 Y HA 0.447 5.124 4.550 -0.110 -0.193 0.346 208 Y C -1.276 174.588 175.900 -0.060 0.000 0.976 208 Y CA -1.580 56.473 58.100 -0.078 0.000 1.044 208 Y CB 4.468 42.893 38.460 -0.059 0.000 1.230 208 Y HN 0.962 9.346 8.280 0.172 0.000 0.455 209 Q N 2.525 122.377 119.800 0.086 0.000 2.390 209 Q HA 0.385 4.923 4.340 0.094 -0.142 0.249 209 Q C -0.478 175.642 176.000 0.200 0.000 0.996 209 Q CA -1.003 54.857 55.803 0.095 0.000 0.899 209 Q CB 1.308 30.063 28.738 0.028 0.000 1.216 209 Q HN 0.418 8.740 8.270 0.088 0.000 0.465 210 M N 5.198 124.952 119.600 0.257 0.000 2.394 210 M HA 0.069 4.639 4.480 0.151 0.000 0.266 210 M C -0.324 176.183 176.300 0.346 0.000 1.098 210 M CA -0.285 55.139 55.300 0.208 0.000 1.149 210 M CB 0.456 33.106 32.600 0.082 0.000 1.369 210 M HN 0.012 8.484 8.290 0.303 0.000 0.450 211 G N -4.254 104.841 108.800 0.493 0.000 2.733 211 G HA2 0.622 5.023 3.960 0.416 0.000 0.288 211 G HA3 0.622 4.800 3.960 0.363 0.000 0.288 211 G C -3.123 171.987 174.900 0.350 0.000 1.373 211 G CA -0.953 44.406 45.100 0.433 0.000 0.895 211 G HN -0.485 8.136 8.290 0.552 0.000 0.479 212 I N -1.393 119.347 120.570 0.282 0.000 2.509 212 I HA 0.533 5.041 4.170 0.284 -0.168 0.293 212 I C -0.389 175.892 176.117 0.273 0.000 1.020 212 I CA -1.404 60.056 61.300 0.265 0.000 1.088 212 I CB 4.002 42.122 38.000 0.199 0.000 1.267 212 I HN -0.350 8.062 8.210 0.209 -0.077 0.430 213 V N 6.473 126.549 119.914 0.270 0.000 2.540 213 V HA -0.231 3.785 4.120 -0.173 0.000 0.297 213 V C -1.115 174.991 176.094 0.019 0.000 1.024 213 V CA 2.113 64.454 62.300 0.067 0.000 1.105 213 V CB -0.803 31.102 31.823 0.137 0.000 0.938 213 V HN 0.525 8.879 8.190 0.274 0.000 0.482 214 S N 6.681 122.305 115.700 -0.127 0.000 3.066 214 S HA 0.260 4.997 4.470 0.299 -0.088 0.235 214 S C -0.688 174.043 174.600 0.218 0.000 0.995 214 S CA 0.964 59.245 58.200 0.134 0.000 0.835 214 S CB 2.583 65.863 63.200 0.134 0.000 0.814 214 S HN 0.312 8.340 8.310 -0.470 0.000 0.594 215 W N -2.294 118.969 121.300 -0.062 0.000 2.923 215 W HA 0.315 4.946 4.660 -0.049 0.000 0.373 215 W C -2.166 174.358 176.519 0.008 0.000 1.205 215 W CA -1.070 56.245 57.345 -0.050 0.000 1.180 215 W CB 1.218 30.620 29.460 -0.096 0.000 1.477 215 W HN -0.383 7.540 8.180 -0.429 0.000 0.581 216 G N -1.415 107.587 108.800 0.337 0.000 2.466 216 G HA2 0.098 4.161 3.960 0.172 0.000 0.291 216 G HA3 0.098 4.097 3.960 0.065 0.000 0.291 216 G C -1.539 173.562 174.900 0.335 0.000 1.460 216 G CA -0.394 44.837 45.100 0.218 0.000 0.791 216 G HN -0.348 8.237 8.290 0.493 0.000 0.505 220 c N 1.840 120.466 118.600 0.043 0.000 3.114 220 c HA 0.377 5.141 4.570 0.039 -0.170 0.215 220 c C -1.161 172.945 174.090 0.026 0.000 1.759 220 c CA -1.091 55.261 56.329 0.039 0.000 1.455 220 c CB -1.003 41.534 42.510 0.045 0.000 2.528 220 c HN 0.075 8.646 8.230 0.038 -0.319 0.511 221 R N -1.100 119.387 120.500 -0.021 0.000 2.833 221 R HA 0.179 4.512 4.340 -0.011 0.000 0.259 221 R C -2.105 174.157 176.300 -0.064 0.000 1.047 221 R CA -0.430 55.655 56.100 -0.025 0.000 0.916 221 R CB 2.489 32.784 30.300 -0.009 0.000 1.259 221 R HN -0.230 8.031 8.270 -0.016 0.000 0.482 222 D N 1.253 121.626 120.400 -0.046 0.000 2.390 222 D HA -0.086 4.504 4.640 -0.083 0.000 0.249 222 D C 1.139 177.389 176.300 -0.085 0.000 1.144 222 D CA 1.354 55.316 54.000 -0.062 0.000 0.880 222 D CB 0.144 40.930 40.800 -0.023 0.000 1.182 222 D HN 0.043 8.399 8.370 -0.024 0.000 0.451 223 G N 2.112 110.819 108.800 -0.154 0.000 2.258 223 G HA2 -0.409 3.530 3.960 -0.035 0.000 0.233 223 G HA3 -0.409 3.535 3.960 -0.026 0.000 0.233 223 G C -0.616 174.152 174.900 -0.219 0.000 1.006 223 G CA 0.005 45.041 45.100 -0.108 0.000 0.620 223 G HN 0.438 8.605 8.290 -0.206 0.000 0.511 224 K N 0.096 120.293 120.400 -0.338 0.000 2.168 224 K HA 0.343 4.639 4.320 -0.041 0.000 0.239 224 K C -1.339 174.804 176.600 -0.762 0.000 0.999 224 K CA -1.285 54.838 56.287 -0.272 0.000 0.900 224 K CB 1.861 34.325 32.500 -0.060 0.000 1.111 224 K HN -0.684 7.303 8.250 -0.282 0.094 0.452 225 Y N -3.276 117.016 120.300 -0.012 0.000 2.669 225 Y HA 0.036 4.527 4.550 -0.099 0.000 0.335 225 Y C -1.241 174.490 175.900 -0.281 0.000 1.116 225 Y CA -0.607 57.389 58.100 -0.173 0.000 1.081 225 Y CB 3.566 41.827 38.460 -0.332 0.000 1.297 225 Y HN -0.058 8.293 8.280 0.118 0.000 0.484 226 G N -1.961 106.717 108.800 -0.202 0.000 2.400 226 G HA2 0.565 4.337 3.960 -0.313 0.000 0.333 226 G HA3 0.565 4.350 3.960 -0.290 0.000 0.333 226 G C -2.504 171.922 174.900 -0.789 0.000 1.143 226 G CA -1.625 43.245 45.100 -0.382 0.000 0.914 226 G HN 0.073 8.327 8.290 -0.060 0.000 0.480 227 F N 1.322 120.699 119.950 -0.956 0.000 2.492 227 F HA 0.894 5.247 4.527 -0.603 -0.187 0.327 227 F C -0.839 174.293 175.800 -1.114 0.000 1.079 227 F CA -1.493 55.913 58.000 -0.990 0.000 0.967 227 F CB 4.131 42.199 39.000 -1.553 0.000 1.169 227 F HN 0.753 8.601 8.300 -0.753 0.000 0.472 228 Y N -0.697 119.225 120.300 -0.629 0.000 2.512 228 Y HA 0.682 5.248 4.550 -0.327 -0.212 0.348 228 Y C 0.079 175.691 175.900 -0.480 0.000 0.990 228 Y CA -1.789 55.930 58.100 -0.635 0.000 1.033 228 Y CB 3.437 41.208 38.460 -1.148 0.000 1.259 228 Y HN 0.636 8.618 8.280 -0.497 0.000 0.461 229 T N 4.389 118.926 114.554 -0.027 0.000 2.901 229 T HA -0.028 4.538 4.350 0.126 -0.141 0.301 229 T C -0.931 173.898 174.700 0.215 0.000 1.012 229 T CA 1.241 63.408 62.100 0.111 0.000 1.135 229 T CB 0.606 69.563 68.868 0.148 0.000 0.936 229 T HN 0.323 8.582 8.240 0.032 0.000 0.539 230 H N 7.889 127.093 119.070 0.222 0.000 2.969 230 H HA 0.102 5.007 4.556 0.582 0.000 0.269 230 H C 0.566 176.049 175.328 0.257 0.000 1.223 230 H CA -1.060 55.204 56.048 0.361 0.000 1.400 230 H CB -0.313 29.637 29.762 0.314 0.000 1.500 230 H HN -0.146 8.253 8.280 0.348 0.090 0.486 231 V N 8.073 128.253 119.914 0.444 0.000 2.282 231 V HA -0.521 3.778 4.120 0.299 0.000 0.249 231 V C 1.858 178.164 176.094 0.353 0.000 1.057 231 V CA 4.470 66.981 62.300 0.351 0.000 1.032 231 V CB -0.267 31.739 31.823 0.305 0.000 0.645 231 V HN -0.252 8.185 8.190 0.413 0.000 0.447 232 F N -0.697 119.447 119.950 0.323 0.000 2.126 232 F HA -0.303 4.319 4.527 0.159 0.000 0.299 232 F C 1.662 177.554 175.800 0.153 0.000 1.096 232 F CA 2.879 61.012 58.000 0.222 0.000 1.255 232 F CB -0.182 38.948 39.000 0.216 0.000 0.997 232 F HN -0.265 8.394 8.300 0.598 0.000 0.479 233 R N -3.161 117.283 120.500 -0.094 0.000 2.241 233 R HA -0.266 3.811 4.340 -0.438 0.000 0.224 233 R C 1.153 177.363 176.300 -0.150 0.000 1.101 233 R CA 2.396 58.327 56.100 -0.283 0.000 0.995 233 R CB -0.217 29.908 30.300 -0.292 0.000 0.870 233 R HN -0.579 7.834 8.270 0.238 0.000 0.463 234 L N -4.347 116.870 121.223 -0.010 0.000 2.693 234 L HA 0.320 4.732 4.340 0.120 0.000 0.235 234 L C 0.161 177.132 176.870 0.167 0.000 1.127 234 L CA -0.745 54.170 54.840 0.125 0.000 0.914 234 L CB 0.153 42.328 42.059 0.193 0.000 1.193 234 L HN -0.445 7.653 8.230 0.057 0.166 0.502 235 K N 1.593 121.997 120.400 0.006 0.000 2.160 235 K HA -0.420 3.950 4.320 0.084 0.000 0.206 235 K C 1.420 178.014 176.600 -0.010 0.000 1.047 235 K CA 3.751 60.042 56.287 0.006 0.000 0.930 235 K CB -0.326 32.132 32.500 -0.070 0.000 0.720 235 K HN -0.183 7.798 8.250 -0.118 0.199 0.450 236 K N -2.970 117.412 120.400 -0.029 0.000 2.148 236 K HA -0.179 4.111 4.320 -0.050 0.000 0.204 236 K C 2.089 178.703 176.600 0.023 0.000 1.050 236 K CA 2.263 58.539 56.287 -0.017 0.000 0.942 236 K CB -1.099 31.391 32.500 -0.016 0.000 0.724 236 K HN 0.257 8.440 8.250 -0.075 0.021 0.446 237 W N 1.176 122.450 121.300 -0.044 0.000 2.381 237 W HA -0.255 4.359 4.660 -0.077 0.000 0.301 237 W C 1.440 177.908 176.519 -0.085 0.000 1.205 237 W CA 3.916 61.230 57.345 -0.052 0.000 1.285 237 W CB 0.043 29.512 29.460 0.014 0.000 1.133 237 W HN -0.520 7.710 8.180 0.276 0.115 0.521 238 I N -0.726 119.734 120.570 -0.183 0.000 2.076 238 I HA -0.780 2.909 4.170 -0.802 0.000 0.237 238 I C 1.935 177.764 176.117 -0.480 0.000 1.059 238 I CA 4.387 65.431 61.300 -0.426 0.000 1.317 238 I CB -0.315 37.625 38.000 -0.101 0.000 1.037 238 I HN -0.424 7.795 8.210 0.146 0.079 0.398 239 Q N -1.812 117.818 119.800 -0.284 0.000 2.096 239 Q HA -0.507 3.672 4.340 -0.269 0.000 0.208 239 Q C 2.251 178.053 176.000 -0.331 0.000 0.993 239 Q CA 3.418 59.065 55.803 -0.261 0.000 0.862 239 Q CB -0.399 28.251 28.738 -0.147 0.000 0.915 239 Q HN 0.072 8.237 8.270 -0.176 0.000 0.416 240 K N -0.216 119.985 120.400 -0.333 0.000 2.001 240 K HA -0.376 3.926 4.320 -0.274 -0.146 0.214 240 K C 2.556 178.872 176.600 -0.473 0.000 1.050 240 K CA 3.150 59.230 56.287 -0.345 0.000 0.934 240 K CB 0.010 32.344 32.500 -0.276 0.000 0.718 240 K HN -0.486 7.589 8.250 -0.287 0.003 0.443 241 V N -1.841 117.690 119.914 -0.639 0.000 2.626 241 V HA -0.345 3.523 4.120 -0.420 0.000 0.252 241 V C 1.707 177.447 176.094 -0.590 0.000 1.067 241 V CA 2.915 64.868 62.300 -0.578 0.000 1.081 241 V CB -0.157 31.162 31.823 -0.840 0.000 0.686 241 V HN -0.525 7.178 8.190 -0.811 0.000 0.468 242 I N -1.441 118.699 120.570 -0.717 0.000 2.716 242 I HA -0.343 3.322 4.170 -0.841 0.000 0.259 242 I C 0.767 176.698 176.117 -0.311 0.000 1.172 242 I CA 2.819 63.696 61.300 -0.706 0.000 1.478 242 I CB -0.063 37.433 38.000 -0.840 0.000 1.104 242 I HN -0.278 7.402 8.210 -0.702 0.108 0.439 243 D N -3.139 117.082 120.400 -0.299 0.000 2.363 243 D HA -0.001 4.565 4.640 -0.122 0.000 0.214 243 D C 0.519 176.680 176.300 -0.232 0.000 1.093 243 D CA 0.606 54.490 54.000 -0.192 0.000 0.837 243 D CB -0.024 40.678 40.800 -0.162 0.000 0.948 243 D HN -0.132 7.930 8.370 -0.360 0.091 0.507 244 Q N -2.870 116.708 119.800 -0.370 0.000 2.369 244 Q HA 0.104 4.207 4.340 -0.394 0.000 0.254 244 Q C -0.819 174.779 176.000 -0.670 0.000 0.858 244 Q CA 0.797 56.252 55.803 -0.579 0.000 0.961 244 Q CB 2.282 30.514 28.738 -0.843 0.000 1.119 244 Q HN -0.461 7.382 8.270 -0.396 0.189 0.538 245 F N 0.000 119.926 119.950 -0.039 0.000 2.286 245 F HA 0.000 4.591 4.527 0.107 0.000 0.279 245 F CA 0.000 58.058 58.000 0.097 0.000 1.383 245 F CB 0.000 39.062 39.000 0.102 0.000 1.145 245 F HN 0.000 8.157 8.300 -0.238 0.000 0.574