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 1gjd_1_B DATA FIRST_RESID 16 DATA SEQUENCE IIGGEFTTIE NQPWFAAIYR RSVTYVcGGS LMSPcWVISA THcFPKEDYI DATA SEQUENCE VYLGRSRLNS NTQGEMKFEV ENLILHKDYS ALAHHNDIAL LKIRRcAQPS DATA SEQUENCE RTIQTICLPS MYNDPQFGTS cEITGFGKEA STDYLYPEQL KMTVVKLISH DATA SEQUENCE REcQHYYGSE VTTKMLcAAQ WKTDScQGDS GGPLVcSLQG RMTLTGIVSW DATA SEQUENCE GRXGcALDKP GVYTRVSHFL PWIRSHT 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 4.164 4.170 -0.010 0.000 0.288 16 I C 0.000 176.092 176.117 -0.041 0.000 1.063 16 I CA 0.000 61.276 61.300 -0.040 0.000 1.566 16 I CB 0.000 37.941 38.000 -0.099 0.000 1.214 17 I N 5.250 125.808 120.570 -0.021 0.000 2.331 17 I HA 0.403 4.729 4.170 -0.019 -0.168 0.292 17 I C 0.460 176.548 176.117 -0.048 0.000 0.998 17 I CA -2.563 58.727 61.300 -0.016 0.000 1.267 17 I CB -1.152 36.858 38.000 0.017 0.000 1.386 17 I HN 0.475 8.681 8.210 -0.006 0.000 0.476 18 G N 4.930 113.685 108.800 -0.075 0.000 2.584 18 G HA2 -0.363 3.541 3.960 -0.093 0.000 0.229 18 G HA3 -0.363 3.555 3.960 -0.069 0.000 0.229 18 G C -1.026 173.782 174.900 -0.153 0.000 1.320 18 G CA -0.372 44.672 45.100 -0.095 0.000 0.891 18 G HN 0.230 8.475 8.290 -0.075 0.000 0.573 19 G N 1.551 110.267 108.800 -0.140 0.000 2.681 19 G HA2 -0.410 3.456 3.960 -0.129 0.000 0.220 19 G HA3 -0.410 3.537 3.960 -0.186 -0.099 0.220 19 G C -1.428 173.336 174.900 -0.226 0.000 1.353 19 G CA -0.281 44.718 45.100 -0.168 0.000 0.872 19 G HN -0.121 8.105 8.290 -0.107 0.000 0.557 20 E N -1.989 118.066 120.200 -0.242 0.000 2.410 20 E HA 0.342 4.505 4.350 -0.312 0.000 0.269 20 E C -1.181 175.232 176.600 -0.312 0.000 0.937 20 E CA -1.986 54.265 56.400 -0.248 0.000 0.793 20 E CB 4.302 33.942 29.700 -0.100 0.000 1.314 20 E HN -0.078 8.156 8.360 -0.209 0.000 0.447 21 F N -0.765 119.150 119.950 -0.059 0.000 2.371 21 F HA 0.551 5.156 4.527 -0.093 -0.133 0.329 21 F C 0.817 176.568 175.800 -0.083 0.000 1.107 21 F CA 0.890 58.847 58.000 -0.072 0.000 1.137 21 F CB 1.806 40.779 39.000 -0.045 0.000 1.214 21 F HN 0.277 8.591 8.300 0.022 0.000 0.536 22 T N -0.131 114.468 114.554 0.076 0.000 2.618 22 T HA 0.358 4.714 4.350 0.009 0.000 0.286 22 T C -2.139 172.547 174.700 -0.024 0.000 1.027 22 T CA -2.416 59.677 62.100 -0.012 0.000 1.063 22 T CB 1.090 69.905 68.868 -0.089 0.000 1.440 22 T HN 0.527 8.719 8.240 0.086 0.099 0.505 23 T N -3.249 111.272 114.554 -0.055 0.000 2.901 23 T HA 0.321 4.655 4.350 -0.027 0.000 0.293 23 T C -0.035 174.613 174.700 -0.086 0.000 1.084 23 T CA -2.021 60.051 62.100 -0.046 0.000 1.008 23 T CB 2.470 71.324 68.868 -0.023 0.000 1.170 23 T HN -0.416 7.783 8.240 -0.069 0.000 0.509 24 I N 1.901 122.438 120.570 -0.055 0.000 2.423 24 I HA -0.330 3.770 4.170 -0.117 0.000 0.254 24 I C 1.335 177.376 176.117 -0.128 0.000 1.151 24 I CA 1.413 62.670 61.300 -0.072 0.000 1.421 24 I CB 0.198 38.214 38.000 0.027 0.000 1.079 24 I HN 0.800 9.003 8.210 -0.011 0.000 0.431 25 E N -2.887 117.257 120.200 -0.093 0.000 2.209 25 E HA -0.277 4.141 4.350 -0.108 -0.133 0.196 25 E C 0.591 177.091 176.600 -0.166 0.000 0.993 25 E CA 2.435 58.771 56.400 -0.107 0.000 0.819 25 E CB -0.693 28.971 29.700 -0.061 0.000 0.745 25 E HN 0.507 8.802 8.360 -0.060 0.029 0.477 26 N N -3.349 115.251 118.700 -0.166 0.000 2.467 26 N HA -0.046 4.610 4.740 -0.139 0.000 0.184 26 N C -0.152 175.179 175.510 -0.299 0.000 1.106 26 N CA 1.022 53.968 53.050 -0.174 0.000 0.892 26 N CB 0.816 39.236 38.487 -0.112 0.000 0.969 26 N HN -0.478 7.679 8.380 -0.139 0.139 0.454 27 Q N -3.005 116.523 119.800 -0.452 0.000 3.007 27 Q HA 0.501 4.162 4.340 -1.130 0.000 0.321 27 Q C -1.898 173.527 176.000 -0.958 0.000 0.784 27 Q CA -2.073 53.265 55.803 -0.775 0.000 0.990 27 Q CB 0.454 28.970 28.738 -0.370 0.000 1.493 27 Q HN -0.121 7.728 8.270 -0.359 0.206 0.382 28 P HA 0.001 4.451 4.420 -0.253 -0.182 0.228 28 P C -0.240 176.920 177.300 -0.233 0.000 1.151 28 P CA 1.859 64.686 63.100 -0.455 0.000 0.770 28 P CB -0.002 31.512 31.700 -0.310 0.000 0.786 29 W N -5.219 116.156 121.300 0.125 0.000 3.290 29 W HA 0.246 5.103 4.660 0.085 -0.146 0.287 29 W C -0.772 175.832 176.519 0.143 0.000 1.288 29 W CA -3.579 53.832 57.345 0.109 0.000 1.725 29 W CB -0.940 28.570 29.460 0.083 0.000 1.103 29 W HN -0.800 6.280 8.180 -1.712 0.073 0.670 30 F N 3.911 123.875 119.950 0.023 0.000 2.495 30 F HA 0.278 5.088 4.527 0.224 -0.149 0.365 30 F C -2.011 173.881 175.800 0.153 0.000 1.090 30 F CA 0.067 58.138 58.000 0.118 0.000 1.235 30 F CB 1.750 40.748 39.000 -0.003 0.000 1.119 30 F HN -0.198 7.911 8.300 -0.028 0.175 0.562 31 A N 6.593 129.022 122.820 -0.652 0.000 2.355 31 A HA 0.850 5.276 4.320 -0.072 -0.149 0.317 31 A C -2.467 174.778 177.584 -0.564 0.000 1.094 31 A CA -2.343 49.488 52.037 -0.342 0.000 0.764 31 A CB 3.520 22.434 19.000 -0.144 0.000 1.230 31 A HN 0.611 8.129 8.150 -0.887 0.100 0.448 32 A N 2.853 125.659 122.820 -0.023 0.000 2.288 32 A HA 0.505 4.961 4.320 0.226 0.000 0.320 32 A C -2.020 175.677 177.584 0.188 0.000 1.217 32 A CA -1.921 50.273 52.037 0.261 0.000 0.840 32 A CB 1.787 21.172 19.000 0.641 0.000 1.179 32 A HN 0.476 8.732 8.150 0.177 0.000 0.504 33 I N 3.211 123.700 120.570 -0.136 0.000 2.433 33 I HA 0.695 5.186 4.170 0.260 -0.165 0.292 33 I C -1.166 174.827 176.117 -0.208 0.000 1.001 33 I CA -1.221 60.066 61.300 -0.022 0.000 1.119 33 I CB 2.081 40.057 38.000 -0.040 0.000 1.289 33 I HN 0.578 8.559 8.210 -0.380 0.000 0.438 34 Y N 4.345 124.773 120.300 0.213 0.000 2.633 34 Y HA 0.749 5.494 4.550 0.131 -0.117 0.339 34 Y C -1.554 174.478 175.900 0.220 0.000 1.045 34 Y CA -2.195 56.029 58.100 0.206 0.000 1.098 34 Y CB 4.697 43.309 38.460 0.253 0.000 1.296 34 Y HN 0.821 9.447 8.280 0.576 0.000 0.494 35 R N -0.227 120.437 120.500 0.274 0.000 2.686 35 R HA 0.878 5.364 4.340 -0.079 -0.194 0.286 35 R C -1.210 175.114 176.300 0.039 0.000 0.969 35 R CA -1.990 54.123 56.100 0.021 0.000 0.898 35 R CB 4.354 34.594 30.300 -0.100 0.000 1.183 35 R HN 0.871 9.322 8.270 0.302 0.000 0.456 36 R N 5.544 126.027 120.500 -0.029 0.000 2.368 36 R HA 0.330 4.687 4.340 0.029 0.000 0.302 36 R C -0.361 175.921 176.300 -0.029 0.000 1.002 36 R CA -0.706 55.391 56.100 -0.004 0.000 0.929 36 R CB 0.913 31.208 30.300 -0.008 0.000 1.073 36 R HN 0.736 8.943 8.270 -0.106 0.000 0.464 37 S N 1.245 116.954 115.700 0.014 0.000 3.504 37 S HA -0.434 4.048 4.470 0.019 0.000 0.709 37 S C -0.849 173.774 174.600 0.038 0.000 1.415 37 S CA 0.940 59.155 58.200 0.025 0.000 0.997 37 S CB 0.355 63.572 63.200 0.029 0.000 0.597 37 S HN 0.286 8.604 8.310 0.013 0.000 0.429 38 V N 2.976 122.924 119.914 0.057 0.000 2.531 38 V HA 0.466 4.872 4.120 0.097 -0.228 0.301 38 V C -0.604 175.596 176.094 0.176 0.000 1.034 38 V CA -0.660 61.699 62.300 0.100 0.000 0.865 38 V CB 2.209 34.060 31.823 0.047 0.000 0.995 38 V HN 0.192 8.412 8.190 0.050 0.000 0.424 39 T N 2.943 117.636 114.554 0.232 0.000 2.912 39 T HA 0.308 4.827 4.350 0.282 0.000 0.288 39 T C -1.705 173.229 174.700 0.390 0.000 1.030 39 T CA -2.272 59.993 62.100 0.276 0.000 1.020 39 T CB 2.305 71.271 68.868 0.164 0.000 1.056 39 T HN 0.514 8.875 8.240 0.201 0.000 0.480 40 Y N 2.749 123.181 120.300 0.219 0.000 2.336 40 Y HA -0.126 4.296 4.550 -0.376 -0.098 0.331 40 Y C -1.316 174.616 175.900 0.052 0.000 1.211 40 Y CA 1.814 59.886 58.100 -0.048 0.000 1.346 40 Y CB 1.083 39.506 38.460 -0.062 0.000 1.271 40 Y HN 0.214 8.768 8.280 0.457 0.000 0.538 41 V N 4.984 124.536 119.914 -0.605 0.000 3.097 41 V HA 0.025 4.062 4.120 -0.139 0.000 0.223 41 V C -1.044 174.665 176.094 -0.641 0.000 1.199 41 V CA 0.934 62.995 62.300 -0.398 0.000 1.260 41 V CB 2.743 34.430 31.823 -0.226 0.000 1.155 41 V HN 0.473 7.979 8.190 -1.140 0.000 0.509 42 c N -5.176 112.874 118.600 -0.916 0.000 3.336 42 c HA 0.191 4.494 4.570 -0.445 0.000 0.339 42 c C -1.874 171.917 174.090 -0.498 0.000 1.468 42 c CA -0.691 55.266 56.329 -0.620 0.000 1.287 42 c CB 4.053 46.287 42.510 -0.461 0.000 1.682 42 c HN -0.697 6.973 8.230 -0.935 0.000 0.451 43 G N -1.339 107.399 108.800 -0.104 0.000 2.521 43 G HA2 0.801 4.810 3.960 -0.153 0.000 0.323 43 G HA3 0.801 4.903 3.960 0.236 0.000 0.323 43 G C -2.394 172.416 174.900 -0.151 0.000 1.211 43 G CA -1.449 43.626 45.100 -0.043 0.000 0.979 43 G HN 0.462 8.715 8.290 -0.062 0.000 0.490 44 G N -3.471 105.155 108.800 -0.291 0.000 2.600 44 G HA2 0.693 4.896 3.960 -0.034 0.000 0.293 44 G HA3 0.693 4.589 3.960 -0.106 0.000 0.293 44 G C -2.811 172.034 174.900 -0.092 0.000 1.408 44 G CA -0.016 45.011 45.100 -0.122 0.000 0.782 44 G HN 0.071 7.940 8.290 -0.702 0.000 0.482 45 S N -0.780 114.934 115.700 0.023 0.000 2.541 45 S HA 0.874 5.688 4.470 0.187 -0.232 0.280 45 S C -1.408 173.253 174.600 0.101 0.000 1.112 45 S CA -0.792 57.484 58.200 0.126 0.000 0.925 45 S CB 4.162 67.450 63.200 0.146 0.000 1.067 45 S HN 0.367 8.690 8.310 0.021 0.000 0.479 46 L N 4.800 126.113 121.223 0.150 0.000 2.313 46 L HA 0.151 4.656 4.340 0.059 -0.130 0.282 46 L C -1.037 175.899 176.870 0.109 0.000 1.092 46 L CA 0.083 54.987 54.840 0.106 0.000 0.831 46 L CB 0.732 42.860 42.059 0.115 0.000 1.159 46 L HN 0.657 8.921 8.230 0.245 0.113 0.442 47 M N 5.643 125.297 119.600 0.090 0.000 2.556 47 M HA 0.114 4.616 4.480 0.037 0.000 0.264 47 M C 0.196 176.540 176.300 0.074 0.000 1.163 47 M CA 2.286 57.625 55.300 0.066 0.000 1.186 47 M CB 1.572 34.206 32.600 0.057 0.000 1.321 47 M HN 0.597 8.948 8.290 0.101 0.000 0.485 48 S N -4.050 111.718 115.700 0.114 0.000 2.656 48 S HA 0.423 4.943 4.470 0.082 0.000 0.273 48 S C -1.760 172.895 174.600 0.091 0.000 1.168 48 S CA -1.646 56.622 58.200 0.114 0.000 0.817 48 S CB 1.010 64.303 63.200 0.155 0.000 1.146 48 S HN -0.749 7.645 8.310 0.141 0.000 0.475 49 P HA -0.138 4.278 4.420 -0.007 0.000 0.216 49 P C -0.169 177.069 177.300 -0.104 0.000 1.150 49 P CA 2.444 65.542 63.100 -0.003 0.000 0.843 49 P CB 0.075 31.786 31.700 0.017 0.000 0.787 50 c N -7.582 110.955 118.600 -0.105 0.000 3.038 50 c HA 0.310 4.652 4.570 -0.380 0.000 0.279 50 c C -1.156 172.607 174.090 -0.545 0.000 1.276 50 c CA -1.030 55.081 56.329 -0.364 0.000 1.697 50 c CB -0.653 41.590 42.510 -0.444 0.000 2.032 50 c HN -0.114 8.105 8.230 0.024 0.025 0.636 51 W N -1.678 119.546 121.300 -0.126 0.000 2.785 51 W HA 0.584 5.353 4.660 -0.135 -0.191 0.333 51 W C -1.597 174.856 176.519 -0.110 0.000 1.062 51 W CA -1.174 56.100 57.345 -0.118 0.000 1.233 51 W CB 3.081 32.488 29.460 -0.088 0.000 1.413 51 W HN -0.339 7.794 8.180 0.116 0.116 0.489 52 V N 1.959 121.955 119.914 0.137 0.000 2.715 52 V HA 0.818 5.158 4.120 0.057 -0.186 0.310 52 V C -1.877 174.269 176.094 0.087 0.000 1.054 52 V CA -1.762 60.569 62.300 0.052 0.000 0.928 52 V CB 4.095 35.891 31.823 -0.045 0.000 1.007 52 V HN 0.580 8.855 8.190 0.142 0.000 0.437 53 I N 4.492 125.098 120.570 0.061 0.000 2.569 53 I HA 0.869 5.246 4.170 0.072 -0.164 0.296 53 I C -2.218 173.920 176.117 0.034 0.000 1.028 53 I CA -2.561 58.776 61.300 0.060 0.000 1.082 53 I CB 3.135 41.174 38.000 0.065 0.000 1.264 53 I HN 0.484 8.724 8.210 0.050 0.000 0.429 54 S N 6.137 121.856 115.700 0.031 0.000 3.341 54 S HA 0.528 5.197 4.470 0.005 -0.196 0.326 54 S C -2.140 172.448 174.600 -0.020 0.000 1.178 54 S CA -1.731 56.481 58.200 0.020 0.000 1.002 54 S CB 2.280 65.533 63.200 0.088 0.000 1.385 54 S HN 0.683 9.016 8.310 0.038 0.000 0.710 55 A N -0.919 121.859 122.820 -0.069 0.000 2.342 55 A HA 0.494 4.858 4.320 -0.148 -0.133 0.323 55 A C 0.977 178.453 177.584 -0.179 0.000 1.125 55 A CA -1.359 50.572 52.037 -0.178 0.000 0.785 55 A CB 1.727 20.541 19.000 -0.311 0.000 1.221 55 A HN 0.300 8.406 8.150 -0.074 0.000 0.463 56 T N 7.555 121.986 114.554 -0.206 0.000 2.759 56 T HA -0.446 3.910 4.350 0.011 0.000 0.269 56 T C 1.276 175.704 174.700 -0.454 0.000 1.042 56 T CA 5.281 67.228 62.100 -0.254 0.000 1.140 56 T CB -0.221 68.412 68.868 -0.391 0.000 0.864 56 T HN 0.519 8.751 8.240 -0.208 -0.117 0.455 57 H N -1.123 117.566 119.070 -0.634 0.000 2.518 57 H HA -0.258 3.919 4.556 -0.631 0.000 0.292 57 H C 0.927 176.014 175.328 -0.401 0.000 1.068 57 H CA 2.575 58.281 56.048 -0.570 0.000 1.275 57 H CB -0.638 28.723 29.762 -0.668 0.000 1.375 57 H HN -0.171 8.132 8.280 -0.489 -0.316 0.563 58 c N -1.696 116.444 118.600 -0.766 0.000 2.446 58 c HA -0.177 4.007 4.570 -0.643 0.000 0.279 58 c C -0.113 173.384 174.090 -0.990 0.000 1.366 58 c CA 2.049 57.819 56.329 -0.932 0.000 1.763 58 c CB -1.481 40.286 42.510 -1.238 0.000 1.929 58 c HN -0.619 6.991 8.230 -0.757 0.166 0.509 59 F N -2.208 117.599 119.950 -0.238 0.000 2.518 59 F HA 0.460 4.966 4.527 -0.035 0.000 0.338 59 F C -1.000 174.769 175.800 -0.051 0.000 1.065 59 F CA -2.577 55.337 58.000 -0.143 0.000 1.012 59 F CB 0.862 39.705 39.000 -0.261 0.000 1.297 59 F HN -0.524 7.385 8.300 -0.405 0.148 0.489 60 P HA 0.348 4.939 4.420 0.284 0.000 0.439 60 P C -1.578 175.844 177.300 0.202 0.000 1.315 60 P CA -0.251 62.981 63.100 0.220 0.000 1.657 60 P CB 0.412 32.190 31.700 0.130 0.000 2.142 61 K N 0.735 121.284 120.400 0.247 0.000 2.177 61 K HA 0.249 4.637 4.320 0.113 0.000 0.238 61 K C 1.054 177.794 176.600 0.233 0.000 1.015 61 K CA -1.193 55.185 56.287 0.152 0.000 0.922 61 K CB 0.741 33.278 32.500 0.062 0.000 1.127 61 K HN -0.368 8.066 8.250 0.307 0.000 0.469 62 E N -1.862 118.396 120.200 0.097 0.000 3.232 62 E HA -0.363 4.017 4.350 0.051 0.000 0.259 62 E C 1.594 178.209 176.600 0.024 0.000 0.862 62 E CA 2.609 59.040 56.400 0.051 0.000 0.758 62 E CB -0.492 29.222 29.700 0.023 0.000 1.388 62 E HN 0.869 9.279 8.360 0.083 0.000 0.461 63 D N -2.474 117.914 120.400 -0.021 0.000 2.349 63 D HA 0.131 4.723 4.640 -0.081 0.000 0.214 63 D C -1.405 174.761 176.300 -0.223 0.000 1.063 63 D CA -0.060 53.848 54.000 -0.154 0.000 0.847 63 D CB 0.520 41.165 40.800 -0.258 0.000 0.933 63 D HN 0.074 8.343 8.370 0.021 0.113 0.513 64 Y N -2.112 118.238 120.300 0.083 0.000 2.457 64 Y HA 0.629 5.453 4.550 0.148 -0.186 0.333 64 Y C -0.530 175.429 175.900 0.099 0.000 1.119 64 Y CA -0.786 57.387 58.100 0.122 0.000 1.143 64 Y CB 3.256 41.807 38.460 0.152 0.000 1.230 64 Y HN -0.731 7.609 8.280 0.197 0.058 0.469 65 I N -1.420 119.343 120.570 0.322 0.000 2.647 65 I HA 0.408 4.771 4.170 0.106 -0.130 0.295 65 I C -1.547 174.733 176.117 0.272 0.000 1.078 65 I CA -1.254 60.162 61.300 0.193 0.000 1.048 65 I CB 3.762 41.855 38.000 0.155 0.000 1.239 65 I HN 0.509 8.974 8.210 0.426 0.000 0.421 66 V N 4.532 124.533 119.914 0.145 0.000 2.540 66 V HA 0.555 5.028 4.120 0.332 -0.154 0.302 66 V C -1.622 174.585 176.094 0.188 0.000 1.035 66 V CA -1.517 60.918 62.300 0.225 0.000 0.873 66 V CB 2.834 34.740 31.823 0.137 0.000 0.992 66 V HN 0.581 8.798 8.190 0.046 0.000 0.428 67 Y N 4.756 125.263 120.300 0.345 0.000 2.446 67 Y HA 0.811 5.769 4.550 0.315 -0.219 0.345 67 Y C -0.995 175.081 175.900 0.292 0.000 0.984 67 Y CA -1.939 56.352 58.100 0.319 0.000 1.058 67 Y CB 4.198 42.833 38.460 0.292 0.000 1.220 67 Y HN 0.729 9.344 8.280 0.557 0.000 0.455 68 L N -1.013 120.480 121.223 0.449 0.000 2.341 68 L HA 0.560 5.064 4.340 0.273 0.000 0.267 68 L C 0.643 177.692 176.870 0.299 0.000 1.009 68 L CA -1.590 53.446 54.840 0.326 0.000 0.819 68 L CB 3.810 46.058 42.059 0.314 0.000 1.323 68 L HN 0.523 9.035 8.230 0.470 0.000 0.425 69 G N -1.358 107.580 108.800 0.230 0.000 2.198 69 G HA2 -0.458 3.724 3.960 0.131 0.000 0.257 69 G HA3 -0.458 3.597 3.960 0.158 0.000 0.257 69 G C -1.549 173.466 174.900 0.191 0.000 1.042 69 G CA 0.304 45.508 45.100 0.174 0.000 0.791 69 G HN 0.533 8.950 8.290 0.212 0.000 0.502 70 R N -1.982 118.675 120.500 0.262 0.000 2.387 70 R HA 0.040 4.492 4.340 0.187 0.000 0.314 70 R C -1.818 174.675 176.300 0.322 0.000 0.958 70 R CA -0.671 55.594 56.100 0.275 0.000 0.846 70 R CB 1.294 31.800 30.300 0.343 0.000 1.147 70 R HN -0.265 8.190 8.270 0.309 0.000 0.447 71 S N 3.241 119.081 115.700 0.233 0.000 2.497 71 S HA 0.039 4.611 4.470 0.170 0.000 0.218 71 S C -0.544 174.260 174.600 0.341 0.000 1.023 71 S CA 1.377 59.702 58.200 0.208 0.000 0.913 71 S CB 1.658 64.913 63.200 0.091 0.000 0.800 71 S HN 0.724 9.133 8.310 0.165 0.000 0.505 72 R N -0.722 119.934 120.500 0.261 0.000 2.832 72 R HA 0.619 5.317 4.340 0.283 -0.189 0.271 72 R C -0.341 175.857 176.300 -0.170 0.000 0.996 72 R CA -1.204 54.976 56.100 0.133 0.000 0.977 72 R CB 2.802 33.111 30.300 0.016 0.000 1.168 72 R HN -0.994 7.386 8.270 0.184 0.000 0.482 73 L N 0.368 121.306 121.223 -0.475 0.000 2.049 73 L HA -0.075 3.587 4.340 -1.130 0.000 0.203 73 L C 1.071 177.800 176.870 -0.235 0.000 1.074 73 L CA 2.165 56.576 54.840 -0.714 0.000 0.749 73 L CB 1.016 42.640 42.059 -0.725 0.000 0.907 73 L HN 0.654 8.612 8.230 -0.267 0.112 0.439 74 N N -3.143 115.455 118.700 -0.169 0.000 2.171 74 N HA 0.098 4.745 4.740 -0.155 0.000 0.212 74 N C -0.416 175.010 175.510 -0.139 0.000 1.184 74 N CA 0.369 53.341 53.050 -0.130 0.000 0.888 74 N CB 1.539 39.983 38.487 -0.071 0.000 1.038 74 N HN 0.040 8.633 8.380 -0.169 -0.314 0.517 75 S N 1.215 116.837 115.700 -0.129 0.000 2.704 75 S HA 0.301 4.708 4.470 -0.104 0.000 0.305 75 S C -1.178 173.350 174.600 -0.120 0.000 1.107 75 S CA -1.145 56.992 58.200 -0.104 0.000 0.993 75 S CB 1.663 64.821 63.200 -0.071 0.000 1.110 75 S HN -0.274 7.958 8.310 -0.129 0.000 0.534 76 N N 0.064 118.705 118.700 -0.098 0.000 2.495 76 N HA 0.182 4.987 4.740 -0.137 -0.148 0.280 76 N C -0.669 174.819 175.510 -0.037 0.000 1.168 76 N CA 0.020 53.016 53.050 -0.089 0.000 0.978 76 N CB 1.414 39.860 38.487 -0.068 0.000 1.191 76 N HN 0.128 8.460 8.380 -0.079 0.000 0.497 77 T N 1.862 116.411 114.554 -0.009 0.000 2.863 77 T HA 0.182 4.539 4.350 0.011 0.000 0.285 77 T C -1.262 173.454 174.700 0.027 0.000 1.009 77 T CA -0.801 61.312 62.100 0.021 0.000 0.989 77 T CB 2.192 71.094 68.868 0.056 0.000 1.004 77 T HN 0.012 8.551 8.240 -0.010 -0.305 0.455 78 Q N 5.047 124.860 119.800 0.022 0.000 2.313 78 Q HA -0.125 4.227 4.340 0.020 0.000 0.266 78 Q C 0.911 176.933 176.000 0.036 0.000 0.989 78 Q CA 1.294 57.111 55.803 0.022 0.000 0.890 78 Q CB -0.019 28.726 28.738 0.013 0.000 1.200 78 Q HN 0.376 8.656 8.270 0.017 0.000 0.396 79 G N 4.203 113.027 108.800 0.041 0.000 2.213 79 G HA2 -0.280 3.707 3.960 0.044 0.000 0.226 79 G HA3 -0.280 3.711 3.960 0.051 0.000 0.226 79 G C -0.498 174.451 174.900 0.081 0.000 0.992 79 G CA -0.520 44.611 45.100 0.053 0.000 0.632 79 G HN 0.336 8.646 8.290 0.035 0.000 0.511 80 E N 0.787 121.047 120.200 0.099 0.000 2.422 80 E HA 0.046 4.660 4.350 0.182 -0.155 0.260 80 E C -0.686 176.000 176.600 0.145 0.000 1.108 80 E CA 0.077 56.575 56.400 0.164 0.000 0.943 80 E CB 0.766 30.582 29.700 0.193 0.000 0.961 80 E HN -0.589 7.756 8.360 0.080 0.064 0.443 81 M N 1.008 120.711 119.600 0.171 0.000 2.395 81 M HA 0.302 4.713 4.480 -0.115 0.000 0.307 81 M C -1.354 174.834 176.300 -0.187 0.000 1.091 81 M CA -1.931 53.342 55.300 -0.045 0.000 0.919 81 M CB 4.441 37.064 32.600 0.038 0.000 1.662 81 M HN 0.444 8.789 8.290 0.267 0.106 0.440 82 K N 4.249 124.316 120.400 -0.555 0.000 2.182 82 K HA 0.601 4.509 4.320 -0.946 -0.155 0.262 82 K C -1.399 174.676 176.600 -0.876 0.000 0.957 82 K CA -0.946 54.871 56.287 -0.785 0.000 0.842 82 K CB 2.167 34.270 32.500 -0.662 0.000 1.099 82 K HN 0.174 8.104 8.250 -0.533 0.000 0.438 83 F N 2.687 122.455 119.950 -0.303 0.000 2.613 83 F HA 0.384 4.907 4.527 -0.149 -0.085 0.314 83 F C -1.408 174.304 175.800 -0.147 0.000 1.075 83 F CA -1.301 56.595 58.000 -0.174 0.000 0.945 83 F CB 4.669 43.591 39.000 -0.130 0.000 1.310 83 F HN 0.681 8.837 8.300 -0.240 0.000 0.467 84 E N -1.674 118.578 120.200 0.086 0.000 2.243 84 E HA 0.486 4.861 4.350 0.041 0.000 0.260 84 E C -0.961 175.659 176.600 0.033 0.000 0.985 84 E CA -2.219 54.204 56.400 0.037 0.000 0.858 84 E CB 2.483 32.185 29.700 0.004 0.000 1.210 84 E HN 0.865 9.293 8.360 0.114 0.000 0.411 85 V N 0.260 120.183 119.914 0.015 0.000 2.364 85 V HA 0.086 4.288 4.120 -0.095 -0.140 0.272 85 V C -0.730 175.324 176.094 -0.066 0.000 1.036 85 V CA 0.093 62.363 62.300 -0.051 0.000 0.880 85 V CB -0.275 31.522 31.823 -0.043 0.000 0.991 85 V HN 0.595 8.811 8.190 0.043 0.000 0.460 86 E N 7.457 127.584 120.200 -0.121 0.000 2.086 86 E HA -0.153 4.154 4.350 -0.073 0.000 0.190 86 E C -0.947 175.584 176.600 -0.116 0.000 0.975 86 E CA 1.921 58.251 56.400 -0.115 0.000 0.813 86 E CB 1.574 31.178 29.700 -0.160 0.000 0.768 86 E HN 0.695 8.850 8.360 -0.169 0.104 0.457 87 N N -3.400 115.202 118.700 -0.164 0.000 2.242 87 N HA 0.226 4.927 4.740 -0.064 0.000 0.292 87 N C -2.408 173.031 175.510 -0.118 0.000 1.125 87 N CA -0.601 52.387 53.050 -0.103 0.000 0.783 87 N CB 3.681 42.132 38.487 -0.059 0.000 1.558 87 N HN -0.594 7.648 8.380 -0.230 0.000 0.472 88 L N 3.055 124.220 121.223 -0.097 0.000 2.427 88 L HA 0.556 4.881 4.340 -0.248 -0.134 0.264 88 L C -1.385 175.421 176.870 -0.107 0.000 0.989 88 L CA -0.482 54.247 54.840 -0.185 0.000 0.865 88 L CB 1.686 43.604 42.059 -0.234 0.000 1.209 88 L HN 0.381 8.576 8.230 -0.058 0.000 0.430 89 I N 7.886 128.409 120.570 -0.078 0.000 2.321 89 I HA 0.247 4.406 4.170 -0.017 0.000 0.291 89 I C -1.470 174.663 176.117 0.028 0.000 0.998 89 I CA -0.726 60.550 61.300 -0.040 0.000 1.227 89 I CB 1.126 39.043 38.000 -0.138 0.000 1.368 89 I HN 0.991 9.155 8.210 -0.076 0.000 0.466 90 L N 5.174 126.437 121.223 0.066 0.000 2.334 90 L HA 0.437 4.820 4.340 0.073 0.000 0.270 90 L C -0.635 176.358 176.870 0.205 0.000 1.018 90 L CA -2.032 52.863 54.840 0.092 0.000 0.811 90 L CB 2.265 44.344 42.059 0.033 0.000 1.271 90 L HN 0.285 8.548 8.230 0.055 0.000 0.443 91 H N 1.386 120.478 119.070 0.036 0.000 2.767 91 H HA -0.009 4.632 4.556 0.142 0.000 0.316 91 H C 1.187 176.589 175.328 0.123 0.000 1.059 91 H CA 0.650 56.689 56.048 -0.014 0.000 1.461 91 H CB 1.687 31.269 29.762 -0.300 0.000 1.475 91 H HN 0.108 8.450 8.280 0.103 0.000 0.531 92 K N 5.506 125.934 120.400 0.047 0.000 2.211 92 K HA -0.220 4.190 4.320 0.150 0.000 0.203 92 K C 0.040 176.753 176.600 0.188 0.000 1.050 92 K CA 2.075 58.438 56.287 0.126 0.000 0.945 92 K CB -0.242 32.313 32.500 0.092 0.000 0.732 92 K HN 0.314 8.494 8.250 -0.117 0.000 0.451 93 D N -1.395 119.174 120.400 0.282 0.000 2.561 93 D HA 0.096 4.837 4.640 0.169 0.000 0.232 93 D C -1.082 175.372 176.300 0.256 0.000 1.198 93 D CA -0.141 54.017 54.000 0.263 0.000 0.826 93 D CB -0.598 40.367 40.800 0.274 0.000 0.992 93 D HN -0.147 8.386 8.370 0.316 0.026 0.490 94 Y N 1.206 121.610 120.300 0.172 0.000 2.425 94 Y HA -0.085 4.726 4.550 0.097 -0.202 0.331 94 Y C -0.938 175.033 175.900 0.118 0.000 1.157 94 Y CA 0.027 58.199 58.100 0.120 0.000 1.372 94 Y CB 1.222 39.742 38.460 0.101 0.000 1.253 94 Y HN -0.721 7.689 8.280 0.380 0.099 0.536 95 S N 6.561 121.757 115.700 -0.840 0.000 2.579 95 S HA 0.221 4.385 4.470 -0.509 0.000 0.272 95 S C -2.666 171.505 174.600 -0.716 0.000 1.141 95 S CA -1.099 56.748 58.200 -0.587 0.000 0.843 95 S CB 3.400 66.489 63.200 -0.185 0.000 1.122 95 S HN 0.023 7.869 8.310 -0.772 0.000 0.468 96 A N 1.058 123.630 122.820 -0.413 0.000 2.527 96 A HA 0.668 4.929 4.320 -0.422 -0.193 0.293 96 A C 0.548 177.986 177.584 -0.243 0.000 1.117 96 A CA -0.976 50.874 52.037 -0.312 0.000 0.723 96 A CB 1.918 20.879 19.000 -0.065 0.000 1.313 96 A HN 0.383 8.362 8.150 -0.286 0.000 0.411 97 L N 0.742 121.682 121.223 -0.473 0.000 2.318 97 L HA -0.445 3.606 4.340 -0.482 0.000 0.240 97 L C 0.743 176.759 176.870 -1.422 0.000 1.135 97 L CA 2.544 56.953 54.840 -0.718 0.000 0.850 97 L CB -0.535 41.090 42.059 -0.723 0.000 0.970 97 L HN 0.522 8.492 8.230 -0.434 0.000 0.442 98 A N -3.660 118.132 122.820 -1.713 0.000 2.332 98 A HA 0.001 1.964 4.320 -3.929 0.000 0.258 98 A C -1.760 174.963 177.584 -1.436 0.000 1.087 98 A CA -0.578 50.111 52.037 -2.246 0.000 0.802 98 A CB 1.807 19.865 19.000 -1.571 0.000 1.042 98 A HN -0.705 6.904 8.150 -1.206 -0.183 0.489 99 H N -0.487 118.004 119.070 -0.965 0.000 2.529 99 H HA 0.733 5.203 4.556 -0.474 -0.198 0.348 99 H C -0.564 174.496 175.328 -0.448 0.000 1.079 99 H CA -1.407 54.381 56.048 -0.433 0.000 1.198 99 H CB 2.493 32.273 29.762 0.031 0.000 1.521 99 H HN 0.217 7.804 8.280 -1.155 0.000 0.514 100 H N 2.549 121.584 119.070 -0.057 0.000 2.533 100 H HA 0.280 4.881 4.556 0.076 0.000 0.343 100 H C 0.133 175.484 175.328 0.038 0.000 1.160 100 H CA -1.018 55.028 56.048 -0.004 0.000 1.218 100 H CB 3.236 32.950 29.762 -0.080 0.000 1.566 100 H HN 0.663 8.703 8.280 -0.215 0.111 0.522 101 N N -1.312 117.471 118.700 0.138 0.000 2.686 101 N HA -0.375 4.263 4.740 -0.170 0.000 0.261 101 N C -1.354 174.049 175.510 -0.179 0.000 1.001 101 N CA 1.173 54.123 53.050 -0.166 0.000 0.764 101 N CB -0.647 37.661 38.487 -0.298 0.000 0.898 101 N HN 0.545 9.065 8.380 0.233 0.000 0.544 102 D N -1.108 119.235 120.400 -0.096 0.000 2.639 102 D HA 0.084 4.778 4.640 0.089 0.000 0.233 102 D C -1.950 174.201 176.300 -0.249 0.000 1.161 102 D CA -0.613 53.375 54.000 -0.020 0.000 1.003 102 D CB -0.687 40.223 40.800 0.184 0.000 1.034 102 D HN 0.053 8.385 8.370 -0.064 0.000 0.514 103 I N 1.204 121.531 120.570 -0.405 0.000 2.686 103 I HA 0.806 5.014 4.170 -0.255 -0.191 0.295 103 I C -2.888 173.094 176.117 -0.225 0.000 1.114 103 I CA -2.148 58.910 61.300 -0.402 0.000 1.038 103 I CB 4.111 41.630 38.000 -0.802 0.000 1.238 103 I HN -0.626 7.287 8.210 -0.416 0.048 0.420 104 A N 6.352 129.161 122.820 -0.019 0.000 2.572 104 A HA 0.839 5.410 4.320 0.234 -0.110 0.295 104 A C -2.616 175.040 177.584 0.121 0.000 1.072 104 A CA -1.428 50.666 52.037 0.095 0.000 0.691 104 A CB 3.990 22.983 19.000 -0.011 0.000 1.291 104 A HN 0.551 8.613 8.150 -0.015 0.079 0.404 105 L N 0.014 121.300 121.223 0.104 0.000 2.365 105 L HA 0.843 5.417 4.340 0.114 -0.166 0.273 105 L C -1.650 175.255 176.870 0.058 0.000 1.000 105 L CA -1.494 53.407 54.840 0.102 0.000 0.819 105 L CB 4.104 46.176 42.059 0.021 0.000 1.284 105 L HN 0.668 8.852 8.230 0.103 0.107 0.418 106 L N 1.760 123.023 121.223 0.066 0.000 2.376 106 L HA 0.638 5.056 4.340 -0.171 -0.181 0.275 106 L C -1.666 175.086 176.870 -0.196 0.000 0.987 106 L CA -0.896 53.869 54.840 -0.125 0.000 0.828 106 L CB 2.747 44.667 42.059 -0.231 0.000 1.249 106 L HN 0.675 8.992 8.230 0.145 0.000 0.409 107 K N 4.728 124.853 120.400 -0.459 0.000 2.227 107 K HA 0.849 4.626 4.320 -1.271 -0.221 0.280 107 K C -0.798 175.494 176.600 -0.514 0.000 1.041 107 K CA -1.454 54.247 56.287 -0.977 0.000 0.905 107 K CB 2.265 34.045 32.500 -1.201 0.000 1.068 107 K HN 0.739 8.677 8.250 -0.330 0.115 0.470 108 I N 1.130 121.408 120.570 -0.486 0.000 2.607 108 I HA 1.059 5.315 4.170 -0.182 -0.194 0.305 108 I C -1.189 174.829 176.117 -0.165 0.000 0.995 108 I CA -2.533 58.590 61.300 -0.295 0.000 1.148 108 I CB 2.853 40.559 38.000 -0.490 0.000 1.323 108 I HN 0.407 8.252 8.210 -0.607 0.000 0.461 109 R N 2.956 123.491 120.500 0.058 0.000 2.707 109 R HA 0.458 4.865 4.340 0.111 0.000 0.272 109 R C -0.539 175.881 176.300 0.199 0.000 1.011 109 R CA -1.788 54.376 56.100 0.106 0.000 0.893 109 R CB 4.267 34.559 30.300 -0.013 0.000 1.233 109 R HN 0.160 8.495 8.270 0.107 0.000 0.464 110 R N 0.317 120.835 120.500 0.031 0.000 2.316 110 R HA -0.319 4.040 4.340 0.031 0.000 0.318 110 R C -0.962 175.419 176.300 0.135 0.000 0.981 110 R CA 1.486 57.621 56.100 0.057 0.000 1.054 110 R CB -0.334 29.995 30.300 0.050 0.000 0.826 110 R HN 0.374 8.658 8.270 0.023 0.000 0.429 111 c N -1.263 117.397 118.600 0.101 0.000 2.534 111 c HA 0.106 4.711 4.570 0.058 0.000 0.398 111 c C 0.537 174.733 174.090 0.177 0.000 1.609 111 c CA -1.460 54.907 56.329 0.064 0.000 1.916 111 c CB 1.235 43.708 42.510 -0.061 0.000 1.954 111 c HN 0.146 8.412 8.230 0.060 0.000 0.508 112 A N 0.233 123.054 122.820 0.001 0.000 2.425 112 A HA -0.062 4.510 4.320 0.420 0.000 0.242 112 A C -0.779 176.875 177.584 0.117 0.000 1.077 112 A CA 0.671 52.786 52.037 0.130 0.000 0.781 112 A CB 0.783 19.759 19.000 -0.040 0.000 1.020 112 A HN 0.316 8.255 8.150 -0.201 0.090 0.494 113 Q N 0.500 120.386 119.800 0.143 0.000 2.345 113 Q HA 0.424 4.810 4.340 0.077 0.000 0.268 113 Q C -2.464 173.591 176.000 0.091 0.000 1.054 113 Q CA -3.052 52.808 55.803 0.096 0.000 0.835 113 Q CB 0.911 29.700 28.738 0.085 0.000 1.339 113 Q HN -0.102 8.285 8.270 0.195 0.000 0.447 114 P HA 0.153 4.772 4.420 0.082 -0.150 0.278 114 P C -1.308 176.031 177.300 0.064 0.000 1.238 114 P CA -0.679 62.465 63.100 0.072 0.000 0.794 114 P CB 1.067 32.806 31.700 0.065 0.000 0.955 115 S N 3.072 118.809 115.700 0.062 0.000 2.790 115 S HA 0.379 4.875 4.470 0.044 0.000 0.292 115 S C -0.064 174.560 174.600 0.040 0.000 1.197 115 S CA -1.331 56.899 58.200 0.050 0.000 0.851 115 S CB 1.810 65.043 63.200 0.056 0.000 1.217 115 S HN 0.045 8.395 8.310 0.066 0.000 0.526 116 R N -2.615 117.902 120.500 0.029 0.000 2.313 116 R HA 0.071 4.420 4.340 0.016 0.000 0.199 116 R C 0.093 176.393 176.300 0.001 0.000 0.958 116 R CA 1.654 57.762 56.100 0.014 0.000 1.047 116 R CB -0.433 29.873 30.300 0.010 0.000 0.955 116 R HN 0.433 8.721 8.270 0.029 0.000 0.481 117 T N -5.596 108.967 114.554 0.015 0.000 3.043 117 T HA 0.249 4.582 4.350 -0.030 0.000 0.272 117 T C -0.874 173.839 174.700 0.022 0.000 0.990 117 T CA -0.424 61.680 62.100 0.007 0.000 0.897 117 T CB 1.747 70.635 68.868 0.033 0.000 1.111 117 T HN -0.191 7.994 8.240 0.032 0.074 0.529 118 I N 2.145 122.743 120.570 0.047 0.000 2.468 118 I HA 0.535 4.973 4.170 0.076 -0.222 0.285 118 I C -2.618 173.553 176.117 0.090 0.000 1.039 118 I CA -1.054 60.294 61.300 0.079 0.000 1.074 118 I CB 2.494 40.562 38.000 0.113 0.000 1.228 118 I HN -0.466 7.653 8.210 0.047 0.119 0.436 119 Q N 7.393 127.270 119.800 0.127 0.000 2.511 119 Q HA 0.458 4.891 4.340 0.155 0.000 0.289 119 Q C -2.373 173.807 176.000 0.301 0.000 1.021 119 Q CA -1.888 54.035 55.803 0.200 0.000 0.785 119 Q CB 4.723 33.605 28.738 0.239 0.000 1.472 119 Q HN 0.200 8.441 8.270 0.126 0.105 0.411 120 T N -2.137 112.576 114.554 0.264 0.000 2.912 120 T HA 0.458 5.094 4.350 0.243 -0.140 0.280 120 T C -0.744 174.082 174.700 0.210 0.000 0.989 120 T CA -1.791 60.441 62.100 0.220 0.000 0.995 120 T CB 1.739 70.675 68.868 0.113 0.000 1.077 120 T HN 0.011 8.377 8.240 0.210 0.000 0.531 121 I N 0.519 121.092 120.570 0.005 0.000 2.693 121 I HA 0.242 4.105 4.170 -0.512 0.000 0.303 121 I C -1.668 174.320 176.117 -0.215 0.000 1.025 121 I CA -2.364 58.702 61.300 -0.390 0.000 1.086 121 I CB 3.807 41.315 38.000 -0.820 0.000 1.268 121 I HN -0.050 8.180 8.210 0.034 0.000 0.440 122 C N 5.847 125.000 119.300 -0.244 0.000 2.534 122 C HA 0.231 4.637 4.460 -0.090 0.000 0.385 122 C C -0.485 174.433 174.990 -0.121 0.000 1.264 122 C CA -0.099 58.837 59.018 -0.136 0.000 2.342 122 C CB 0.323 27.993 27.740 -0.118 0.000 2.564 122 C HN -0.128 7.893 8.230 -0.348 0.000 0.603 123 L N 1.291 122.469 121.223 -0.074 0.000 2.334 123 L HA 0.310 4.616 4.340 -0.056 0.000 0.275 123 L C -0.600 176.242 176.870 -0.046 0.000 1.036 123 L CA -2.126 52.683 54.840 -0.052 0.000 0.807 123 L CB 0.607 42.646 42.059 -0.033 0.000 1.231 123 L HN 0.202 8.396 8.230 -0.060 0.000 0.438 124 P HA 0.079 4.480 4.420 -0.032 0.000 0.277 124 P C -1.308 175.974 177.300 -0.029 0.000 1.276 124 P CA -0.783 62.301 63.100 -0.028 0.000 0.788 124 P CB 0.812 32.505 31.700 -0.011 0.000 1.114 125 S N -2.417 113.269 115.700 -0.023 0.000 2.672 125 S HA 0.157 4.610 4.470 -0.029 0.000 0.276 125 S C 0.577 175.150 174.600 -0.045 0.000 1.207 125 S CA -1.408 56.777 58.200 -0.024 0.000 1.002 125 S CB 1.423 64.619 63.200 -0.008 0.000 0.998 125 S HN 0.034 8.335 8.310 -0.015 0.000 0.542 126 M N 1.581 121.146 119.600 -0.059 0.000 2.226 126 M HA -0.525 3.766 4.480 -0.315 0.000 0.377 126 M C -0.034 176.216 176.300 -0.084 0.000 1.309 126 M CA 2.402 57.617 55.300 -0.142 0.000 0.874 126 M CB -0.644 31.963 32.600 0.011 0.000 1.902 126 M HN 0.389 8.658 8.290 -0.035 0.000 0.485 127 Y N -2.572 117.658 120.300 -0.116 0.000 3.769 127 Y HA -0.481 3.918 4.550 -0.252 0.000 0.214 127 Y C -1.042 174.853 175.900 -0.008 0.000 1.142 127 Y CA 1.593 59.595 58.100 -0.163 0.000 1.543 127 Y CB -3.145 35.166 38.460 -0.248 0.000 1.467 127 Y HN 0.360 8.000 8.280 -1.067 0.000 0.620 128 N N -0.667 118.076 118.700 0.073 0.000 2.408 128 N HA 0.089 4.887 4.740 0.096 0.000 0.280 128 N C -1.550 174.006 175.510 0.077 0.000 1.002 128 N CA -0.463 52.633 53.050 0.076 0.000 0.907 128 N CB 1.916 40.425 38.487 0.038 0.000 1.161 128 N HN -0.485 7.862 8.380 0.005 0.036 0.488 129 D N 4.999 125.451 120.400 0.087 0.000 2.523 129 D HA 0.361 5.033 4.640 0.054 0.000 0.236 129 D C -2.266 174.054 176.300 0.034 0.000 1.094 129 D CA -1.814 52.230 54.000 0.072 0.000 0.942 129 D CB 2.071 42.943 40.800 0.120 0.000 1.447 129 D HN -0.101 8.324 8.370 0.093 0.000 0.479 130 P HA 0.015 4.416 4.420 -0.030 0.000 0.273 130 P C -1.646 175.640 177.300 -0.024 0.000 1.250 130 P CA -0.142 62.943 63.100 -0.024 0.000 0.793 130 P CB 1.168 32.842 31.700 -0.043 0.000 1.011 131 Q N -1.084 118.663 119.800 -0.088 0.000 2.256 131 Q HA 0.122 4.438 4.340 -0.039 0.000 0.232 131 Q C 0.920 176.805 176.000 -0.192 0.000 0.965 131 Q CA -1.246 54.461 55.803 -0.162 0.000 0.908 131 Q CB 2.393 30.939 28.738 -0.320 0.000 1.209 131 Q HN 0.175 8.381 8.270 -0.108 0.000 0.489 132 F N -0.937 119.005 119.950 -0.013 0.000 2.595 132 F HA -0.493 4.005 4.527 -0.049 0.000 0.359 132 F C 0.523 176.301 175.800 -0.036 0.000 1.147 132 F CA 0.606 58.586 58.000 -0.034 0.000 1.341 132 F CB -0.151 38.828 39.000 -0.034 0.000 1.104 132 F HN 0.150 8.447 8.300 -0.006 0.000 0.603 133 G N 1.951 110.783 108.800 0.053 0.000 2.284 133 G HA2 -0.388 3.594 3.960 0.037 0.000 0.216 133 G HA3 -0.388 3.502 3.960 -0.117 0.000 0.216 133 G C -0.663 174.194 174.900 -0.071 0.000 1.009 133 G CA -0.045 45.039 45.100 -0.028 0.000 0.625 133 G HN 0.727 8.969 8.290 0.110 0.115 0.501 134 T N 5.016 119.516 114.554 -0.090 0.000 2.940 134 T HA -0.149 4.151 4.350 -0.084 0.000 0.309 134 T C -1.301 173.356 174.700 -0.073 0.000 1.056 134 T CA 1.495 63.546 62.100 -0.082 0.000 1.137 134 T CB 0.585 69.403 68.868 -0.083 0.000 0.976 134 T HN -0.344 7.749 8.240 -0.102 0.086 0.547 135 S N 4.685 120.344 115.700 -0.069 0.000 2.457 135 S HA 0.625 5.238 4.470 -0.081 -0.192 0.289 135 S C -0.219 174.337 174.600 -0.073 0.000 1.163 135 S CA -0.016 58.141 58.200 -0.072 0.000 1.078 135 S CB 0.754 63.918 63.200 -0.061 0.000 0.987 135 S HN 0.182 8.453 8.310 -0.065 0.000 0.482 136 c N 4.696 123.243 118.600 -0.089 0.000 2.848 136 c HA 0.648 5.256 4.570 -0.069 -0.079 0.317 136 c C -1.511 172.530 174.090 -0.082 0.000 1.260 136 c CA -1.732 54.542 56.329 -0.091 0.000 1.656 136 c CB 4.326 46.755 42.510 -0.135 0.000 2.174 136 c HN 1.045 9.215 8.230 -0.100 0.000 0.479 137 E N -0.827 119.341 120.200 -0.054 0.000 2.244 137 E HA 1.095 5.573 4.350 -0.054 -0.160 0.266 137 E C -1.036 175.549 176.600 -0.024 0.000 0.914 137 E CA -2.430 53.949 56.400 -0.036 0.000 0.794 137 E CB 2.922 32.620 29.700 -0.004 0.000 1.210 137 E HN 0.767 9.102 8.360 -0.041 0.000 0.414 138 I N -4.810 115.745 120.570 -0.024 0.000 2.785 138 I HA 1.088 5.512 4.170 0.046 -0.227 0.302 138 I C -1.065 175.029 176.117 -0.039 0.000 1.069 138 I CA -2.222 59.085 61.300 0.011 0.000 1.045 138 I CB 3.853 41.884 38.000 0.052 0.000 1.236 138 I HN 0.532 8.718 8.210 -0.040 0.000 0.429 139 T N -2.165 112.353 114.554 -0.059 0.000 2.883 139 T HA 0.802 5.157 4.350 -0.265 -0.164 0.301 139 T C -0.932 173.559 174.700 -0.349 0.000 1.158 139 T CA -2.626 59.315 62.100 -0.265 0.000 1.007 139 T CB 3.119 71.790 68.868 -0.329 0.000 1.186 139 T HN -0.244 8.011 8.240 0.025 0.000 0.499 140 G N -0.086 108.360 108.800 -0.590 0.000 2.321 140 G HA2 0.166 3.754 3.960 -0.620 0.000 0.298 140 G HA3 0.166 4.199 3.960 -0.132 -0.152 0.298 140 G C -2.650 171.943 174.900 -0.512 0.000 1.385 140 G CA 0.605 45.427 45.100 -0.464 0.000 0.856 140 G HN -0.143 7.756 8.290 -0.652 0.000 0.584 141 F N 0.077 119.914 119.950 -0.188 0.000 2.708 141 F HA 0.389 4.790 4.527 -0.210 0.000 0.300 141 F C 0.650 176.229 175.800 -0.368 0.000 1.118 141 F CA -1.496 56.317 58.000 -0.312 0.000 1.307 141 F CB 0.630 39.254 39.000 -0.627 0.000 0.986 141 F HN 0.521 8.850 8.300 0.049 0.000 0.522 142 G N 0.141 108.874 108.800 -0.112 0.000 2.651 142 G HA2 0.055 3.731 3.960 -0.493 0.000 0.260 142 G HA3 0.055 4.272 3.960 -0.040 -0.282 0.260 142 G C -1.031 173.915 174.900 0.077 0.000 1.216 142 G CA -0.486 44.535 45.100 -0.132 0.000 0.913 142 G HN -0.389 8.010 8.290 -0.072 -0.152 0.535 143 K N -0.893 119.645 120.400 0.230 0.000 2.494 143 K HA -0.311 4.177 4.320 0.280 0.000 0.273 143 K C -0.598 176.070 176.600 0.114 0.000 0.970 143 K CA 1.768 58.192 56.287 0.227 0.000 0.963 143 K CB 0.359 32.987 32.500 0.215 0.000 0.913 143 K HN 0.023 8.439 8.250 0.277 0.000 0.502 144 E N -1.907 118.350 120.200 0.094 0.000 2.431 144 E HA 0.225 4.766 4.350 0.018 -0.180 0.200 144 E C -0.369 176.257 176.600 0.043 0.000 0.995 144 E CA 0.731 57.158 56.400 0.045 0.000 0.915 144 E CB 1.626 31.353 29.700 0.045 0.000 0.930 144 E HN -0.235 8.343 8.360 0.111 -0.152 0.496 145 A N -2.381 120.475 122.820 0.061 0.000 2.520 145 A HA 0.411 4.762 4.320 0.051 0.000 0.298 145 A C -0.769 176.859 177.584 0.074 0.000 1.051 145 A CA -0.854 51.218 52.037 0.058 0.000 0.690 145 A CB 2.048 21.078 19.000 0.051 0.000 1.281 145 A HN -0.564 7.713 8.150 0.077 -0.082 0.402 146 S N 2.287 118.030 115.700 0.072 0.000 2.442 146 S HA -0.299 4.228 4.470 0.095 0.000 0.236 146 S C 1.466 176.117 174.600 0.086 0.000 1.007 146 S CA 3.150 61.399 58.200 0.082 0.000 0.965 146 S CB 0.173 63.415 63.200 0.070 0.000 0.773 146 S HN 0.640 8.988 8.310 0.063 0.000 0.504 147 T N -4.478 110.124 114.554 0.081 0.000 3.129 147 T HA 0.008 4.413 4.350 0.093 0.000 0.251 147 T C 0.258 175.037 174.700 0.132 0.000 1.117 147 T CA -0.444 61.713 62.100 0.095 0.000 1.034 147 T CB -0.048 68.868 68.868 0.080 0.000 0.968 147 T HN -0.402 7.849 8.240 0.072 0.032 0.526 148 D N 3.495 123.959 120.400 0.106 0.000 2.358 148 D HA 0.026 4.719 4.640 0.088 0.000 0.244 148 D C -0.619 175.755 176.300 0.123 0.000 1.163 148 D CA -0.081 53.962 54.000 0.073 0.000 0.945 148 D CB 1.318 42.118 40.800 0.001 0.000 1.152 148 D HN -0.358 7.892 8.370 0.091 0.175 0.451 149 Y N -4.433 115.859 120.300 -0.013 0.000 2.527 149 Y HA 0.177 4.691 4.550 -0.060 0.000 0.247 149 Y C -1.678 174.143 175.900 -0.132 0.000 1.138 149 Y CA -0.563 57.502 58.100 -0.058 0.000 1.228 149 Y CB 0.483 38.920 38.460 -0.039 0.000 1.252 149 Y HN 0.046 8.084 8.280 -0.404 0.000 0.531 150 L N -1.043 119.947 121.223 -0.388 0.000 2.301 150 L HA 0.227 4.358 4.340 -0.348 0.000 0.264 150 L C -0.862 175.915 176.870 -0.155 0.000 1.016 150 L CA -1.438 53.200 54.840 -0.336 0.000 0.821 150 L CB 2.914 44.780 42.059 -0.323 0.000 1.346 150 L HN -0.875 7.059 8.230 -0.404 0.054 0.429 151 Y N -0.891 119.393 120.300 -0.027 0.000 2.457 151 Y HA 0.370 4.939 4.550 0.032 0.000 0.333 151 Y C -1.644 174.260 175.900 0.005 0.000 1.119 151 Y CA -3.661 54.445 58.100 0.010 0.000 1.143 151 Y CB 0.157 38.621 38.460 0.007 0.000 1.230 151 Y HN 0.050 8.288 8.280 -0.069 0.000 0.469 152 P HA 0.011 4.514 4.420 0.138 0.000 0.271 152 P C -1.444 175.951 177.300 0.158 0.000 1.233 152 P CA -0.621 62.597 63.100 0.196 0.000 0.789 152 P CB 1.262 33.136 31.700 0.291 0.000 0.951 153 E N -2.154 118.104 120.200 0.097 0.000 2.340 153 E HA -0.037 4.282 4.350 -0.051 0.000 0.194 153 E C -0.119 176.554 176.600 0.121 0.000 0.996 153 E CA 1.268 57.682 56.400 0.023 0.000 0.869 153 E CB 0.623 30.304 29.700 -0.032 0.000 0.835 153 E HN 0.408 8.817 8.360 0.082 0.000 0.493 154 Q N -0.918 118.988 119.800 0.177 0.000 2.235 154 Q HA 0.238 4.838 4.340 0.228 -0.124 0.256 154 Q C -0.256 175.954 176.000 0.350 0.000 0.951 154 Q CA -1.138 54.797 55.803 0.220 0.000 0.890 154 Q CB 1.579 30.280 28.738 -0.063 0.000 1.279 154 Q HN -0.514 7.816 8.270 0.150 0.030 0.444 155 L N 5.830 127.148 121.223 0.157 0.000 2.456 155 L HA 0.040 3.829 4.340 -0.918 0.000 0.272 155 L C -1.254 175.508 176.870 -0.180 0.000 1.189 155 L CA 0.542 55.125 54.840 -0.428 0.000 0.846 155 L CB 1.085 42.801 42.059 -0.572 0.000 1.111 155 L HN 0.122 8.468 8.230 0.193 0.000 0.475 156 K N 3.438 123.644 120.400 -0.323 0.000 2.400 156 K HA 0.828 5.171 4.320 -0.190 -0.137 0.246 156 K C -1.701 174.727 176.600 -0.287 0.000 0.995 156 K CA -1.697 54.438 56.287 -0.253 0.000 0.840 156 K CB 4.163 36.497 32.500 -0.277 0.000 1.293 156 K HN 0.051 7.989 8.250 -0.520 0.000 0.445 157 M N -0.167 119.298 119.600 -0.226 0.000 2.578 157 M HA 0.841 5.389 4.480 -0.182 -0.177 0.276 157 M C -2.375 173.841 176.300 -0.140 0.000 1.245 157 M CA -0.360 54.833 55.300 -0.177 0.000 0.871 157 M CB 4.747 37.252 32.600 -0.158 0.000 1.722 157 M HN 0.552 8.704 8.290 -0.230 0.000 0.473 158 T N 0.972 115.464 114.554 -0.103 0.000 2.711 158 T HA 0.394 4.690 4.350 -0.091 0.000 0.302 158 T C -2.744 171.915 174.700 -0.069 0.000 1.373 158 T CA -1.264 60.783 62.100 -0.088 0.000 1.000 158 T CB 2.306 71.121 68.868 -0.088 0.000 1.483 158 T HN 0.426 8.612 8.240 -0.090 0.000 0.499 159 V N 1.964 121.837 119.914 -0.069 0.000 2.680 159 V HA 0.893 5.167 4.120 -0.068 -0.194 0.309 159 V C -0.840 175.205 176.094 -0.082 0.000 1.052 159 V CA -1.448 60.810 62.300 -0.069 0.000 0.908 159 V CB 2.810 34.596 31.823 -0.062 0.000 1.001 159 V HN 0.272 8.419 8.190 -0.072 0.000 0.431 160 V N -0.093 119.764 119.914 -0.094 0.000 3.160 160 V HA 0.522 4.569 4.120 -0.122 0.000 0.310 160 V C -2.239 173.785 176.094 -0.118 0.000 1.181 160 V CA -2.536 59.697 62.300 -0.113 0.000 1.047 160 V CB 3.606 35.370 31.823 -0.099 0.000 1.068 160 V HN 0.890 9.022 8.190 -0.096 0.000 0.441 161 K N -0.329 119.996 120.400 -0.124 0.000 2.208 161 K HA 0.812 5.282 4.320 -0.091 -0.205 0.247 161 K C -0.539 176.009 176.600 -0.087 0.000 0.953 161 K CA -2.106 54.123 56.287 -0.097 0.000 0.837 161 K CB 3.670 36.120 32.500 -0.083 0.000 1.131 161 K HN 0.512 8.568 8.250 -0.146 0.106 0.431 162 L N 0.687 121.874 121.223 -0.060 0.000 2.417 162 L HA 0.273 4.704 4.340 -0.072 -0.135 0.268 162 L C 0.281 177.171 176.870 0.033 0.000 1.158 162 L CA -0.035 54.783 54.840 -0.036 0.000 0.819 162 L CB 0.493 42.542 42.059 -0.018 0.000 1.112 162 L HN 0.351 8.547 8.230 -0.057 0.000 0.458 163 I N -3.909 116.668 120.570 0.012 0.000 3.067 163 I HA 0.473 4.691 4.170 0.079 0.000 0.312 163 I C -1.399 174.679 176.117 -0.065 0.000 1.073 163 I CA -2.005 59.300 61.300 0.009 0.000 1.016 163 I CB 3.133 41.128 38.000 -0.007 0.000 1.227 163 I HN 0.327 8.521 8.210 -0.026 0.000 0.456 164 S N -0.606 114.977 115.700 -0.194 0.000 2.624 164 S HA 0.009 4.401 4.470 -0.130 0.000 0.263 164 S C 1.003 175.460 174.600 -0.237 0.000 1.287 164 S CA -0.240 57.808 58.200 -0.253 0.000 0.990 164 S CB 1.439 64.330 63.200 -0.516 0.000 0.950 164 S HN 0.410 8.561 8.310 -0.266 0.000 0.561 165 H N 3.136 122.166 119.070 -0.067 0.000 2.363 165 H HA -0.176 4.378 4.556 -0.004 0.000 0.301 165 H C 2.338 177.617 175.328 -0.082 0.000 1.074 165 H CA 4.761 60.790 56.048 -0.033 0.000 1.354 165 H CB -0.146 29.615 29.762 -0.002 0.000 1.397 165 H HN 0.744 9.084 8.280 0.101 0.000 0.516 166 R N -0.414 120.081 120.500 -0.009 0.000 2.112 166 R HA -0.346 3.970 4.340 -0.040 0.000 0.242 166 R C 2.418 178.608 176.300 -0.183 0.000 1.137 166 R CA 3.270 59.319 56.100 -0.085 0.000 0.944 166 R CB -0.794 29.434 30.300 -0.120 0.000 0.857 166 R HN 0.383 8.662 8.270 0.013 -0.001 0.435 167 E N -1.372 118.671 120.200 -0.261 0.000 2.072 167 E HA -0.283 3.793 4.350 -0.456 0.000 0.191 167 E C 2.123 178.346 176.600 -0.630 0.000 0.985 167 E CA 2.765 58.904 56.400 -0.435 0.000 0.801 167 E CB -0.033 29.451 29.700 -0.360 0.000 0.750 167 E HN -0.554 7.659 8.360 -0.248 -0.002 0.452 168 c N -1.145 117.269 118.600 -0.310 0.000 2.446 168 c HA -0.248 4.286 4.570 -0.060 0.000 0.279 168 c C 0.060 174.142 174.090 -0.014 0.000 1.366 168 c CA 1.541 57.810 56.329 -0.101 0.000 1.763 168 c CB -1.136 41.406 42.510 0.052 0.000 1.929 168 c HN -0.211 7.888 8.230 -0.218 0.000 0.509 169 Q N 0.022 119.798 119.800 -0.041 0.000 2.844 169 Q HA 0.201 4.797 4.340 0.127 -0.180 0.235 169 Q C 0.365 176.346 176.000 -0.031 0.000 1.336 169 Q CA -0.964 54.862 55.803 0.038 0.000 1.026 169 Q CB -1.845 26.932 28.738 0.065 0.000 1.513 169 Q HN 0.162 8.353 8.270 -0.084 0.029 0.577 170 H N -0.800 118.328 119.070 0.096 0.000 2.812 170 H HA -0.444 4.124 4.556 0.019 0.000 0.337 170 H C -0.454 174.904 175.328 0.051 0.000 0.895 170 H CA 2.011 58.098 56.048 0.066 0.000 1.192 170 H CB -1.297 28.496 29.762 0.051 0.000 1.416 170 H HN 0.244 8.716 8.280 0.320 0.000 0.362 171 Y N -1.584 118.506 120.300 -0.350 0.000 2.845 171 Y HA 0.422 4.873 4.550 -0.542 -0.226 0.144 171 Y C 0.549 176.208 175.900 -0.402 0.000 0.890 171 Y CA -0.641 57.168 58.100 -0.485 0.000 1.725 171 Y CB 1.696 39.893 38.460 -0.439 0.000 1.172 171 Y HN -0.501 7.783 8.280 0.007 0.000 0.385 172 Y N -4.898 115.523 120.300 0.201 0.000 2.527 172 Y HA 0.076 4.732 4.550 0.177 0.000 0.247 172 Y C 0.151 176.142 175.900 0.152 0.000 1.138 172 Y CA -0.827 57.389 58.100 0.193 0.000 1.228 172 Y CB 1.361 39.990 38.460 0.282 0.000 1.252 172 Y HN -0.096 8.290 8.280 0.178 0.000 0.531 173 G N 0.351 109.288 108.800 0.228 0.000 2.582 173 G HA2 -0.490 3.713 3.960 0.108 0.000 0.288 173 G HA3 -0.490 3.555 3.960 0.140 0.000 0.288 173 G C 0.167 175.168 174.900 0.169 0.000 1.247 173 G CA 1.151 46.344 45.100 0.155 0.000 0.972 173 G HN -0.735 7.658 8.290 0.171 0.000 0.557 174 S N 0.661 116.439 115.700 0.130 0.000 2.754 174 S HA -0.064 4.482 4.470 0.127 0.000 0.223 174 S C 0.088 174.776 174.600 0.147 0.000 0.951 174 S CA 0.585 58.858 58.200 0.122 0.000 0.954 174 S CB -0.631 62.614 63.200 0.075 0.000 0.780 174 S HN 0.276 8.650 8.310 0.106 0.000 0.509 175 E N 0.197 120.510 120.200 0.188 0.000 2.208 175 E HA -0.173 4.235 4.350 0.097 0.000 0.193 175 E C -0.544 176.220 176.600 0.273 0.000 0.988 175 E CA 1.382 57.877 56.400 0.158 0.000 0.828 175 E CB 0.461 30.231 29.700 0.117 0.000 0.763 175 E HN -0.233 8.149 8.360 0.223 0.112 0.478 176 V N -0.287 119.826 119.914 0.331 0.000 2.498 176 V HA -0.028 4.333 4.120 0.401 0.000 0.279 176 V C -0.508 175.747 176.094 0.269 0.000 1.048 176 V CA 0.337 62.842 62.300 0.342 0.000 0.967 176 V CB 0.418 32.435 31.823 0.322 0.000 0.988 176 V HN -0.902 7.445 8.190 0.312 0.031 0.473 177 T N 1.840 116.549 114.554 0.259 0.000 2.841 177 T HA 0.553 4.980 4.350 0.127 0.000 0.276 177 T C 0.942 175.702 174.700 0.098 0.000 1.003 177 T CA -2.390 59.810 62.100 0.167 0.000 0.995 177 T CB 2.186 71.162 68.868 0.180 0.000 1.260 177 T HN -0.436 7.975 8.240 0.286 0.000 0.581 178 T N -6.305 108.227 114.554 -0.036 0.000 3.035 178 T HA -0.146 3.894 4.350 -0.516 0.000 0.268 178 T C 0.998 175.594 174.700 -0.174 0.000 1.109 178 T CA 1.943 63.916 62.100 -0.212 0.000 1.119 178 T CB -0.195 68.585 68.868 -0.145 0.000 0.900 178 T HN 0.245 8.477 8.240 -0.012 0.000 0.503 179 K N 0.182 120.565 120.400 -0.028 0.000 2.437 179 K HA 0.099 4.289 4.320 -0.217 0.000 0.198 179 K C -1.406 175.281 176.600 0.145 0.000 1.024 179 K CA -0.273 56.012 56.287 -0.003 0.000 1.148 179 K CB 0.021 32.577 32.500 0.094 0.000 0.860 179 K HN -0.579 7.644 8.250 0.045 0.054 0.515 180 M N -2.074 117.620 119.600 0.158 0.000 2.690 180 M HA 0.803 5.569 4.480 0.183 -0.176 0.302 180 M C -1.832 174.597 176.300 0.214 0.000 1.234 180 M CA -0.945 54.471 55.300 0.194 0.000 0.853 180 M CB 5.503 38.227 32.600 0.207 0.000 1.748 180 M HN -0.613 7.662 8.290 0.148 0.103 0.469 181 L N -3.327 117.976 121.223 0.133 0.000 2.393 181 L HA 0.480 4.767 4.340 -0.088 0.000 0.260 181 L C -2.010 174.888 176.870 0.046 0.000 1.002 181 L CA -1.275 53.587 54.840 0.037 0.000 0.818 181 L CB 4.999 47.085 42.059 0.046 0.000 1.369 181 L HN 0.076 8.387 8.230 0.135 0.000 0.412 182 c N -0.153 118.428 118.600 -0.032 0.000 2.507 182 c HA 1.001 5.848 4.570 0.135 -0.196 0.319 182 c C -1.408 172.707 174.090 0.042 0.000 1.208 182 c CA -1.250 55.112 56.329 0.056 0.000 1.619 182 c CB 2.502 45.034 42.510 0.037 0.000 2.230 182 c HN 0.802 8.946 8.230 -0.143 0.000 0.492 183 A N 2.519 125.406 122.820 0.111 0.000 2.422 183 A HA 1.137 5.591 4.320 -0.050 -0.164 0.302 183 A C -2.535 175.060 177.584 0.019 0.000 1.041 183 A CA -1.302 50.730 52.037 -0.010 0.000 0.708 183 A CB 3.550 22.434 19.000 -0.192 0.000 1.257 183 A HN 0.653 8.950 8.150 0.245 0.000 0.414 184 A N 1.160 123.919 122.820 -0.101 0.000 4.208 184 A HA 0.487 4.734 4.320 -0.122 0.000 0.243 184 A C -0.648 176.731 177.584 -0.341 0.000 0.946 184 A CA -0.580 51.312 52.037 -0.241 0.000 0.652 184 A CB 2.154 20.857 19.000 -0.495 0.000 1.617 184 A HN 0.596 8.671 8.150 -0.124 0.000 0.824 185 Q N -1.158 118.477 119.800 -0.276 0.000 2.145 185 Q HA -0.453 3.936 4.340 0.081 0.000 0.232 185 Q C -0.816 175.224 176.000 0.067 0.000 0.939 185 Q CA 0.999 56.774 55.803 -0.047 0.000 1.016 185 Q CB -2.018 26.720 28.738 -0.001 0.000 1.449 185 Q HN 0.583 8.696 8.270 -0.261 0.000 0.595 186 W N -8.545 112.747 121.300 -0.014 0.000 6.719 186 W HA -0.304 4.342 4.660 -0.022 0.000 0.406 186 W C -0.636 175.872 176.519 -0.019 0.000 1.551 186 W CA 0.326 57.657 57.345 -0.024 0.000 1.103 186 W CB -3.060 26.376 29.460 -0.040 0.000 2.735 186 W HN 0.124 7.808 8.180 -0.826 0.000 1.586 187 K N -3.612 116.831 120.400 0.071 0.000 2.329 187 K HA 0.133 4.499 4.320 0.077 0.000 0.198 187 K C 0.244 176.857 176.600 0.021 0.000 1.085 187 K CA 0.511 56.828 56.287 0.049 0.000 0.961 187 K CB 2.460 34.970 32.500 0.017 0.000 0.971 187 K HN -0.092 8.428 8.250 -0.020 -0.282 0.502 188 T N -0.041 114.508 114.554 -0.008 0.000 2.932 188 T HA 0.324 4.830 4.350 -0.011 -0.163 0.289 188 T C -2.590 172.109 174.700 -0.002 0.000 1.039 188 T CA -1.399 60.690 62.100 -0.018 0.000 1.024 188 T CB 1.590 70.429 68.868 -0.049 0.000 1.090 188 T HN -0.587 7.818 8.240 -0.033 -0.185 0.496 189 D N 1.528 121.935 120.400 0.011 0.000 2.808 189 D HA 0.232 4.898 4.640 0.044 0.000 0.294 189 D C -1.995 174.333 176.300 0.048 0.000 1.278 189 D CA -0.657 53.369 54.000 0.045 0.000 0.756 189 D CB 2.612 43.459 40.800 0.078 0.000 1.271 189 D HN 0.071 8.440 8.370 -0.002 0.000 0.425 190 S N -1.628 114.118 115.700 0.076 0.000 2.669 190 S HA 0.216 4.801 4.470 0.045 -0.088 0.270 190 S C -1.508 173.124 174.600 0.053 0.000 1.225 190 S CA -0.155 58.082 58.200 0.062 0.000 0.991 190 S CB 1.314 64.562 63.200 0.082 0.000 0.987 190 S HN 0.311 8.683 8.310 0.104 0.000 0.552 191 c N -1.330 117.305 118.600 0.058 0.000 3.292 191 c HA 0.304 4.921 4.570 0.078 0.000 0.369 191 c C -1.357 172.795 174.090 0.104 0.000 1.664 191 c CA -0.896 55.481 56.329 0.081 0.000 1.204 191 c CB 3.068 45.630 42.510 0.087 0.000 1.978 191 c HN 0.436 9.004 8.230 0.055 -0.305 0.435 192 Q N 1.710 121.596 119.800 0.142 0.000 2.283 192 Q HA -0.298 4.145 4.340 0.172 0.000 0.301 192 Q C 0.836 176.966 176.000 0.218 0.000 1.063 192 Q CA 2.289 58.209 55.803 0.195 0.000 0.952 192 Q CB 0.608 29.479 28.738 0.223 0.000 1.166 192 Q HN 0.540 8.892 8.270 0.137 0.000 0.381 193 G N 6.077 114.980 108.800 0.173 0.000 2.234 193 G HA2 -0.393 3.593 3.960 0.043 0.000 0.235 193 G HA3 -0.393 3.321 3.960 -0.410 0.000 0.235 193 G C 0.630 175.545 174.900 0.026 0.000 0.997 193 G CA 0.890 45.972 45.100 -0.030 0.000 0.623 193 G HN 0.842 9.244 8.290 0.187 0.000 0.514 194 D N 0.885 121.324 120.400 0.065 0.000 2.348 194 D HA 0.047 4.767 4.640 0.134 0.000 0.211 194 D C 0.149 176.510 176.300 0.102 0.000 0.998 194 D CA 0.885 54.942 54.000 0.096 0.000 0.873 194 D CB 0.227 41.068 40.800 0.068 0.000 0.925 194 D HN -0.009 8.318 8.370 0.078 0.090 0.524 195 S N -1.195 114.550 115.700 0.076 0.000 2.554 195 S HA -0.468 4.196 4.470 0.065 -0.155 0.290 195 S C 1.160 175.728 174.600 -0.053 0.000 1.309 195 S CA 3.227 61.447 58.200 0.033 0.000 1.047 195 S CB 0.009 63.224 63.200 0.026 0.000 0.828 195 S HN -0.434 7.882 8.310 0.093 0.049 0.509 196 G N 4.000 112.759 108.800 -0.069 0.000 2.320 196 G HA2 -0.462 3.520 3.960 -0.081 0.000 0.242 196 G HA3 -0.462 3.577 3.960 -0.117 -0.149 0.242 196 G C 0.026 174.955 174.900 0.048 0.000 1.033 196 G CA 0.352 45.415 45.100 -0.062 0.000 0.620 196 G HN 0.614 8.878 8.290 -0.045 0.000 0.517 197 G N 1.204 110.086 108.800 0.138 0.000 2.651 197 G HA2 0.255 4.372 3.960 0.263 0.000 0.260 197 G HA3 0.255 4.443 3.960 0.381 0.000 0.260 197 G C -2.650 172.394 174.900 0.239 0.000 1.216 197 G CA -1.693 43.568 45.100 0.269 0.000 0.913 197 G HN -0.424 7.832 8.290 0.126 0.110 0.535 198 P HA 0.499 5.176 4.420 0.157 -0.162 0.287 198 P C -1.939 175.449 177.300 0.146 0.000 1.270 198 P CA -1.417 61.804 63.100 0.201 0.000 0.844 198 P CB 2.173 34.013 31.700 0.234 0.000 1.068 199 L N 3.154 124.408 121.223 0.053 0.000 2.316 199 L HA 0.558 5.001 4.340 -0.094 -0.159 0.280 199 L C -2.014 174.810 176.870 -0.077 0.000 1.006 199 L CA -1.019 53.762 54.840 -0.099 0.000 0.836 199 L CB 2.026 43.898 42.059 -0.312 0.000 1.221 199 L HN 0.088 8.348 8.230 0.051 0.000 0.418 200 V N 8.001 127.882 119.914 -0.056 0.000 2.459 200 V HA 0.838 5.122 4.120 -0.115 -0.233 0.295 200 V C -1.016 175.034 176.094 -0.074 0.000 1.029 200 V CA -1.590 60.665 62.300 -0.075 0.000 0.874 200 V CB 2.149 33.958 31.823 -0.022 0.000 0.985 200 V HN 0.729 8.898 8.190 -0.036 0.000 0.438 201 c N 5.374 123.921 118.600 -0.088 0.000 2.889 201 c HA 0.464 4.996 4.570 -0.064 0.000 0.307 201 c C -1.424 172.625 174.090 -0.069 0.000 1.251 201 c CA -1.445 54.840 56.329 -0.073 0.000 1.593 201 c CB 3.959 46.423 42.510 -0.077 0.000 2.104 201 c HN 0.639 8.805 8.230 -0.106 0.000 0.476 202 S N 1.107 116.775 115.700 -0.054 0.000 2.537 202 S HA 0.673 5.323 4.470 -0.055 -0.213 0.275 202 S C -0.757 173.814 174.600 -0.047 0.000 1.272 202 S CA -0.218 57.953 58.200 -0.048 0.000 1.050 202 S CB 0.634 63.814 63.200 -0.034 0.000 0.961 202 S HN 0.434 8.714 8.310 -0.051 0.000 0.496 203 L N 5.361 126.557 121.223 -0.046 0.000 2.470 203 L HA 0.353 4.672 4.340 -0.034 0.000 0.268 203 L C -0.724 176.128 176.870 -0.032 0.000 0.964 203 L CA -0.176 54.642 54.840 -0.037 0.000 0.839 203 L CB 2.647 44.684 42.059 -0.036 0.000 1.276 203 L HN 0.805 8.898 8.230 -0.050 0.107 0.403 204 Q N 4.924 124.709 119.800 -0.025 0.000 2.435 204 Q HA -0.371 3.959 4.340 -0.018 0.000 0.286 204 Q C -0.193 175.795 176.000 -0.019 0.000 1.229 204 Q CA 1.050 56.841 55.803 -0.020 0.000 0.884 204 Q CB -1.810 26.918 28.738 -0.017 0.000 1.245 204 Q HN 0.893 9.148 8.270 -0.025 0.000 0.488 205 G N -5.771 103.016 108.800 -0.021 0.000 2.179 205 G HA2 -0.484 3.468 3.960 -0.015 0.000 0.260 205 G HA3 -0.484 3.469 3.960 -0.012 0.000 0.260 205 G C -0.976 173.913 174.900 -0.019 0.000 0.977 205 G CA -0.103 44.987 45.100 -0.016 0.000 0.641 205 G HN 0.562 8.817 8.290 -0.024 0.021 0.533 206 R N -0.369 120.113 120.500 -0.030 0.000 2.778 206 R HA 0.338 4.660 4.340 -0.030 0.000 0.277 206 R C -1.219 175.040 176.300 -0.069 0.000 0.977 206 R CA -1.923 54.151 56.100 -0.044 0.000 0.950 206 R CB 2.320 32.587 30.300 -0.054 0.000 1.165 206 R HN 0.067 8.131 8.270 -0.033 0.186 0.474 207 M N 2.541 122.083 119.600 -0.097 0.000 2.143 207 M HA 0.167 4.703 4.480 -0.106 -0.119 0.348 207 M C -0.575 175.582 176.300 -0.238 0.000 1.375 207 M CA -0.248 54.959 55.300 -0.154 0.000 1.124 207 M CB -0.632 31.864 32.600 -0.174 0.000 1.669 207 M HN 0.761 9.001 8.290 -0.083 0.000 0.469 208 T N 5.108 119.548 114.554 -0.190 0.000 2.888 208 T HA 0.403 4.779 4.350 -0.211 -0.152 0.284 208 T C -1.495 173.092 174.700 -0.189 0.000 1.017 208 T CA -0.771 61.220 62.100 -0.182 0.000 1.022 208 T CB 2.600 71.406 68.868 -0.105 0.000 1.013 208 T HN 0.858 9.012 8.240 -0.144 0.000 0.465 209 L N 5.680 126.796 121.223 -0.178 0.000 2.385 209 L HA 0.124 4.484 4.340 -0.149 -0.110 0.285 209 L C -0.844 175.989 176.870 -0.061 0.000 1.125 209 L CA -0.321 54.440 54.840 -0.131 0.000 0.890 209 L CB -0.401 41.592 42.059 -0.110 0.000 1.251 209 L HN 0.625 8.753 8.230 -0.171 0.000 0.445 210 T N 6.738 121.257 114.554 -0.059 0.000 3.009 210 T HA 0.065 4.414 4.350 -0.002 0.000 0.258 210 T C -0.014 174.689 174.700 0.005 0.000 1.063 210 T CA 2.883 64.967 62.100 -0.026 0.000 1.139 210 T CB 0.880 69.716 68.868 -0.054 0.000 0.890 210 T HN 0.184 8.375 8.240 -0.082 0.000 0.471 211 G N -1.631 107.166 108.800 -0.005 0.000 2.694 211 G HA2 0.617 4.869 3.960 0.106 0.000 0.290 211 G HA3 0.617 4.618 3.960 0.068 0.000 0.290 211 G C -3.227 171.759 174.900 0.144 0.000 1.386 211 G CA -0.797 44.351 45.100 0.080 0.000 0.872 211 G HN -0.567 7.702 8.290 -0.035 0.000 0.475 212 I N -0.952 119.742 120.570 0.206 0.000 2.436 212 I HA 0.594 5.085 4.170 0.167 -0.220 0.289 212 I C -0.257 175.981 176.117 0.202 0.000 1.010 212 I CA -1.415 59.982 61.300 0.162 0.000 1.098 212 I CB 3.791 41.818 38.000 0.045 0.000 1.266 212 I HN -0.395 8.030 8.210 0.218 -0.085 0.434 213 V N 7.985 128.014 119.914 0.191 0.000 2.475 213 V HA -0.298 3.540 4.120 -0.470 0.000 0.292 213 V C -1.195 174.853 176.094 -0.077 0.000 1.003 213 V CA 2.401 64.663 62.300 -0.063 0.000 1.120 213 V CB -1.116 30.741 31.823 0.056 0.000 0.937 213 V HN 0.704 8.912 8.190 0.215 0.111 0.476 214 S N 7.598 123.179 115.700 -0.199 0.000 3.066 214 S HA 0.364 4.967 4.470 0.222 0.000 0.235 214 S C -1.451 173.285 174.600 0.226 0.000 0.995 214 S CA 1.153 59.411 58.200 0.097 0.000 0.835 214 S CB 2.383 65.667 63.200 0.139 0.000 0.814 214 S HN 0.146 8.125 8.310 -0.551 0.000 0.594 215 W N -3.718 117.513 121.300 -0.116 0.000 2.959 215 W HA 0.279 4.897 4.660 -0.070 0.000 0.358 215 W C -2.681 173.737 176.519 -0.168 0.000 1.228 215 W CA -1.202 56.075 57.345 -0.114 0.000 1.183 215 W CB 1.228 30.601 29.460 -0.145 0.000 1.467 215 W HN -0.488 7.377 8.180 -0.526 0.000 0.578 216 G N -3.060 105.833 108.800 0.155 0.000 2.519 216 G HA2 0.154 4.007 3.960 -0.178 0.000 0.292 216 G HA3 0.154 4.108 3.960 -0.010 0.000 0.292 216 G C -2.432 172.605 174.900 0.228 0.000 1.507 216 G CA 0.348 45.475 45.100 0.046 0.000 0.806 216 G HN -0.134 8.349 8.290 0.321 0.000 0.523 220 c N 0.925 119.573 118.600 0.080 0.000 2.481 220 c HA 0.140 4.764 4.570 0.090 0.000 0.324 220 c C -0.375 173.766 174.090 0.085 0.000 1.170 220 c CA -0.568 55.811 56.329 0.084 0.000 1.361 220 c CB 0.991 43.547 42.510 0.078 0.000 1.977 220 c HN 0.234 8.505 8.230 0.069 0.000 0.459 221 A N 3.746 126.632 122.820 0.111 0.000 2.791 221 A HA -0.390 4.048 4.320 0.197 0.000 0.292 221 A C -1.664 176.008 177.584 0.147 0.000 1.487 221 A CA 0.972 53.097 52.037 0.147 0.000 0.760 221 A CB -1.560 17.501 19.000 0.100 0.000 1.031 221 A HN 0.627 9.188 8.150 0.115 -0.342 0.503 222 L N -2.623 118.664 121.223 0.108 0.000 2.630 222 L HA -0.061 4.265 4.340 -0.024 0.000 0.170 222 L C 1.194 177.946 176.870 -0.195 0.000 1.724 222 L CA -0.648 54.177 54.840 -0.026 0.000 3.098 222 L CB 0.479 42.501 42.059 -0.060 0.000 2.970 222 L HN -0.618 7.680 8.230 0.124 0.006 0.834 223 D N -4.922 114.133 120.400 -2.242 0.000 3.044 223 D HA -0.368 2.893 4.640 -2.299 0.000 0.205 223 D C -1.103 174.437 176.300 -1.266 0.000 1.166 223 D CA 2.081 54.990 54.000 -1.818 0.000 0.701 223 D CB -1.376 38.708 40.800 -1.194 0.000 1.028 223 D HN 0.225 6.153 8.370 -4.071 0.000 0.396 224 K N -3.321 116.626 120.400 -0.755 0.000 2.687 224 K HA 0.546 4.375 4.320 -0.818 0.000 0.197 224 K C -2.437 174.202 176.600 0.065 0.000 1.049 224 K CA -3.902 52.144 56.287 -0.402 0.000 1.030 224 K CB 0.161 32.549 32.500 -0.186 0.000 1.261 224 K HN -0.566 7.207 8.250 -0.794 0.000 0.565 225 P HA -0.100 4.523 4.420 0.339 0.000 0.274 225 P C -1.067 176.367 177.300 0.224 0.000 1.264 225 P CA -0.251 63.029 63.100 0.300 0.000 0.795 225 P CB 1.022 32.896 31.700 0.291 0.000 1.064 226 G N -2.752 106.136 108.800 0.147 0.000 2.367 226 G HA2 0.602 4.463 3.960 -0.164 0.000 0.314 226 G HA3 0.602 4.554 3.960 -0.012 0.000 0.314 226 G C -2.160 172.619 174.900 -0.201 0.000 1.130 226 G CA -1.054 44.003 45.100 -0.071 0.000 0.864 226 G HN -0.037 8.374 8.290 0.203 0.000 0.486 227 V N 3.228 122.721 119.914 -0.702 0.000 2.513 227 V HA 0.795 4.958 4.120 -0.223 -0.177 0.299 227 V C -1.119 174.544 176.094 -0.719 0.000 1.035 227 V CA -1.365 60.523 62.300 -0.686 0.000 0.889 227 V CB 2.317 33.238 31.823 -1.504 0.000 0.988 227 V HN 0.513 8.189 8.190 -0.857 0.000 0.440 228 Y N 4.262 124.454 120.300 -0.179 0.000 2.524 228 Y HA 0.613 5.283 4.550 -0.050 -0.151 0.344 228 Y C 0.321 176.221 175.900 -0.001 0.000 1.012 228 Y CA -2.259 55.803 58.100 -0.064 0.000 1.068 228 Y CB 3.813 42.248 38.460 -0.040 0.000 1.249 228 Y HN 1.008 9.380 8.280 0.154 0.000 0.468 229 T N 4.018 118.658 114.554 0.142 0.000 2.901 229 T HA -0.056 4.387 4.350 0.155 0.000 0.301 229 T C -0.768 174.033 174.700 0.168 0.000 1.012 229 T CA 1.645 63.812 62.100 0.111 0.000 1.135 229 T CB 0.701 69.533 68.868 -0.060 0.000 0.936 229 T HN 0.494 8.808 8.240 0.123 0.000 0.539 230 R N 7.843 128.492 120.500 0.248 0.000 2.608 230 R HA 0.103 4.537 4.340 0.158 0.000 0.277 230 R C 1.172 177.686 176.300 0.356 0.000 1.341 230 R CA -0.736 55.491 56.100 0.211 0.000 1.199 230 R CB -0.412 29.910 30.300 0.037 0.000 1.156 230 R HN 0.214 8.582 8.270 0.312 0.090 0.558 231 V N 7.368 127.436 119.914 0.257 0.000 2.277 231 V HA -0.635 3.664 4.120 0.299 0.000 0.253 231 V C 1.431 177.672 176.094 0.246 0.000 1.067 231 V CA 4.235 66.685 62.300 0.250 0.000 1.047 231 V CB -0.236 31.654 31.823 0.112 0.000 0.649 231 V HN 0.051 8.344 8.190 0.171 0.000 0.447 232 S N -0.387 115.419 115.700 0.177 0.000 2.420 232 S HA -0.384 4.064 4.470 -0.036 0.000 0.237 232 S C 1.440 175.923 174.600 -0.195 0.000 1.023 232 S CA 3.426 61.651 58.200 0.042 0.000 0.991 232 S CB -0.199 63.076 63.200 0.125 0.000 0.792 232 S HN 0.276 8.679 8.310 0.183 0.017 0.488 233 H N 0.637 119.584 119.070 -0.204 0.000 2.539 233 H HA 0.044 4.122 4.556 -0.797 0.000 0.269 233 H C -0.014 174.979 175.328 -0.559 0.000 0.980 233 H CA 1.779 57.564 56.048 -0.439 0.000 1.152 233 H CB -0.122 29.482 29.762 -0.264 0.000 1.407 233 H HN -0.117 8.223 8.280 0.374 0.164 0.564 234 F N -3.432 116.528 119.950 0.017 0.000 2.706 234 F HA 0.097 4.711 4.527 0.145 0.000 0.313 234 F C 0.152 176.035 175.800 0.138 0.000 1.096 234 F CA 0.395 58.460 58.000 0.109 0.000 1.219 234 F CB 1.099 40.166 39.000 0.111 0.000 1.051 234 F HN -0.014 8.223 8.300 0.220 0.194 0.568 235 L N 2.137 123.428 121.223 0.114 0.000 2.021 235 L HA -0.314 4.090 4.340 0.106 0.000 0.215 235 L C -0.671 176.254 176.870 0.092 0.000 1.074 235 L CA 5.123 60.002 54.840 0.065 0.000 0.760 235 L CB -3.315 38.704 42.059 -0.067 0.000 0.889 235 L HN -0.166 8.047 8.230 -0.027 0.000 0.433 236 P HA -0.208 4.238 4.420 0.042 0.000 0.215 236 P C 1.715 179.115 177.300 0.167 0.000 1.153 236 P CA 3.282 66.442 63.100 0.100 0.000 0.853 236 P CB -0.508 31.254 31.700 0.103 0.000 0.788 237 W N -1.102 120.276 121.300 0.130 0.000 2.355 237 W HA -0.316 4.464 4.660 0.200 0.000 0.309 237 W C 1.782 178.420 176.519 0.200 0.000 1.206 237 W CA 4.016 61.497 57.345 0.226 0.000 1.284 237 W CB 0.014 29.715 29.460 0.401 0.000 1.145 237 W HN -0.748 7.696 8.180 0.451 0.007 0.502 238 I N -0.508 120.243 120.570 0.302 0.000 2.099 238 I HA -0.733 3.314 4.170 -0.206 0.000 0.239 238 I C 2.573 178.570 176.117 -0.200 0.000 1.066 238 I CA 4.632 65.921 61.300 -0.018 0.000 1.324 238 I CB -0.356 37.697 38.000 0.088 0.000 1.037 238 I HN 0.273 8.775 8.210 0.487 0.000 0.401 239 R N -0.787 119.645 120.500 -0.114 0.000 2.103 239 R HA -0.327 3.900 4.340 -0.188 0.000 0.242 239 R C 3.252 179.416 176.300 -0.226 0.000 1.142 239 R CA 3.144 59.149 56.100 -0.158 0.000 0.960 239 R CB -0.198 30.050 30.300 -0.086 0.000 0.858 239 R HN 0.173 8.428 8.270 -0.025 0.000 0.439 240 S N -1.409 114.141 115.700 -0.250 0.000 2.442 240 S HA -0.114 4.184 4.470 -0.287 0.000 0.236 240 S C 0.976 175.213 174.600 -0.605 0.000 1.007 240 S CA 2.754 60.718 58.200 -0.393 0.000 0.965 240 S CB 0.025 62.954 63.200 -0.452 0.000 0.773 240 S HN 0.099 8.296 8.310 -0.172 0.010 0.504 241 H N -2.425 116.338 119.070 -0.512 0.000 2.750 241 H HA 0.241 4.570 4.556 -0.379 0.000 0.263 241 H C -0.297 174.628 175.328 -0.671 0.000 0.964 241 H CA 0.706 56.416 56.048 -0.564 0.000 1.205 241 H CB 1.348 30.645 29.762 -0.774 0.000 1.454 241 H HN -0.304 7.570 8.280 -0.432 0.148 0.503 242 T N 0.000 114.167 114.554 -0.644 0.000 3.816 242 T HA 0.000 3.804 4.350 -0.910 0.000 0.228 242 T CA 0.000 61.623 62.100 -0.794 0.000 1.349 242 T CB 0.000 68.207 68.868 -1.101 0.000 0.612 242 T HN 0.000 7.924 8.240 -0.526 0.000 0.658