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 2pbl_1_B DATA FIRST_RESID 0 DATA SEQUENCE GXELDDAYAN GAYIEGAADY PPRWAASAED FRNSLQDRAR LNLSYGEGDR DATA SEQUENCE HKFDLFLPEG TPVGLFVFVH GGYWXAFDKS SWSHLAVGAL SKGWAVAXPS DATA SEQUENCE YELCPEVRIS EITQQISQAV TAAAKEIDGP IVLAGHSAGG HLVARXLDPE DATA SEQUENCE VLPEAVGARI RNVVPISPLS DLRPLLRTSX NEKFKXDADA AIAESPVEXQ DATA SEQUENCE NRYDAKVTVW VGGAERPAFL DQAIWLVEAW DADHVIAFEK HHFNVIEPLA DATA SEQUENCE DPESDLVAVI TA 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 0 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 0 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 0 G C 0.000 174.895 174.900 -0.009 0.000 0.946 0 G CA 0.000 45.094 45.100 -0.011 0.000 0.502 3 L N 1.831 123.115 121.223 0.101 0.000 2.741 3 L HA 0.250 4.590 4.340 -0.001 0.000 0.237 3 L C 0.578 177.574 176.870 0.209 0.000 1.178 3 L CA 0.025 54.971 54.840 0.175 0.000 0.973 3 L CB 0.116 42.330 42.059 0.258 0.000 1.255 3 L HN 0.067 8.297 8.230 0.000 0.000 0.498 4 D N 0.879 121.357 120.400 0.130 0.000 2.104 4 D HA -0.242 4.397 4.640 -0.001 0.000 0.194 4 D C 1.663 178.058 176.300 0.158 0.000 0.994 4 D CA 1.624 55.697 54.000 0.123 0.000 0.830 4 D CB 0.147 40.990 40.800 0.072 0.000 0.959 4 D HN 0.329 8.699 8.370 0.000 0.000 0.452 5 D N 0.092 120.575 120.400 0.138 0.000 2.117 5 D HA -0.075 4.565 4.640 -0.001 0.000 0.197 5 D C 1.923 178.305 176.300 0.136 0.000 0.987 5 D CA 1.563 55.663 54.000 0.165 0.000 0.829 5 D CB -0.074 40.811 40.800 0.142 0.000 0.961 5 D HN 0.091 8.461 8.370 0.000 0.000 0.460 6 A N -0.707 122.152 122.820 0.065 0.000 1.940 6 A HA -0.175 4.144 4.320 -0.001 0.000 0.219 6 A C 1.628 179.093 177.584 -0.198 0.000 1.176 6 A CA 1.269 53.252 52.037 -0.090 0.000 0.631 6 A CB -0.999 17.947 19.000 -0.090 0.000 0.814 6 A HN 0.486 8.636 8.150 0.000 0.000 0.446 7 Y N -0.659 119.704 120.300 0.104 0.000 2.468 7 Y HA 0.476 5.026 4.550 -0.001 0.000 0.268 7 Y C 1.242 177.317 175.900 0.291 0.000 1.177 7 Y CA -0.090 58.132 58.100 0.203 0.000 1.265 7 Y CB -0.005 38.540 38.460 0.141 0.000 1.103 7 Y HN 0.295 8.575 8.280 0.000 0.000 0.522 8 A N 0.608 123.614 122.820 0.309 0.000 2.347 8 A HA 0.226 4.546 4.320 -0.001 0.000 0.287 8 A C 0.586 178.349 177.584 0.298 0.000 1.199 8 A CA -0.366 51.852 52.037 0.303 0.000 0.851 8 A CB 0.188 19.352 19.000 0.272 0.000 1.118 8 A HN 0.357 8.507 8.150 0.000 0.000 0.525 9 N N 3.021 121.856 118.700 0.225 0.000 2.322 9 N HA -0.057 4.683 4.740 -0.001 0.000 0.186 9 N C 1.996 177.458 175.510 -0.079 0.000 1.037 9 N CA 1.444 54.492 53.050 -0.002 0.000 0.869 9 N CB -0.483 37.860 38.487 -0.240 0.000 1.036 9 N HN 0.699 9.079 8.380 0.000 0.000 0.439 10 G N 1.246 110.052 108.800 0.010 0.000 2.469 10 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.220 10 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.220 10 G C 1.581 176.450 174.900 -0.051 0.000 1.136 10 G CA 1.324 46.434 45.100 0.017 0.000 0.759 10 G HN 0.428 8.717 8.290 0.000 0.000 0.562 11 A N -0.372 122.399 122.820 -0.082 0.000 2.076 11 A HA 0.022 4.342 4.320 -0.001 0.000 0.220 11 A C 1.872 179.105 177.584 -0.584 0.000 1.160 11 A CA 1.308 53.153 52.037 -0.321 0.000 0.653 11 A CB -0.418 18.331 19.000 -0.418 0.000 0.801 11 A HN 0.488 8.638 8.150 0.000 0.000 0.455 12 Y N -1.311 118.938 120.300 -0.083 0.000 2.507 12 Y HA 0.460 5.010 4.550 -0.000 0.000 0.254 12 Y C 0.155 175.951 175.900 -0.173 0.000 1.171 12 Y CA -0.484 57.553 58.100 -0.104 0.000 1.238 12 Y CB 0.218 38.623 38.460 -0.091 0.000 1.148 12 Y HN 0.079 8.359 8.280 0.000 0.000 0.525 13 I N 1.681 122.155 120.570 -0.161 0.000 2.362 13 I HA 0.170 4.340 4.170 -0.001 0.000 0.289 13 I C -0.084 175.935 176.117 -0.162 0.000 0.994 13 I CA -1.038 60.067 61.300 -0.326 0.000 1.158 13 I CB 1.466 39.065 38.000 -0.667 0.000 1.315 13 I HN 0.157 8.367 8.210 0.000 0.000 0.451 14 E N 5.964 126.104 120.200 -0.100 0.000 2.376 14 E HA 0.285 4.635 4.350 -0.001 0.000 0.266 14 E C 0.857 177.505 176.600 0.080 0.000 1.009 14 E CA 0.091 56.491 56.400 0.001 0.000 0.902 14 E CB 0.783 30.499 29.700 0.027 0.000 0.972 14 E HN 0.892 9.252 8.360 0.000 0.000 0.439 15 G N 2.611 111.456 108.800 0.075 0.000 2.160 15 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.251 15 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.251 15 G C 0.897 175.928 174.900 0.218 0.000 1.008 15 G CA 0.455 45.610 45.100 0.091 0.000 0.724 15 G HN 0.939 9.229 8.290 0.000 0.000 0.514 16 A N -0.022 122.944 122.820 0.245 0.000 1.948 16 A HA 0.211 4.531 4.320 -0.001 0.000 0.220 16 A C 2.864 180.661 177.584 0.356 0.000 1.177 16 A CA 2.712 54.997 52.037 0.413 0.000 0.636 16 A CB -0.833 18.324 19.000 0.261 0.000 0.815 16 A HN 1.910 10.060 8.150 0.000 0.000 0.449 17 A N -0.131 122.794 122.820 0.174 0.000 1.978 17 A HA -0.179 4.140 4.320 -0.001 0.000 0.220 17 A C 1.598 179.188 177.584 0.010 0.000 1.170 17 A CA 1.803 53.894 52.037 0.090 0.000 0.636 17 A CB -0.472 18.556 19.000 0.047 0.000 0.810 17 A HN 0.500 8.650 8.150 0.000 0.000 0.448 18 D N -1.799 118.574 120.400 -0.045 0.000 2.347 18 D HA -0.029 4.611 4.640 -0.001 0.000 0.215 18 D C 1.312 177.398 176.300 -0.356 0.000 0.976 18 D CA 0.635 54.524 54.000 -0.184 0.000 0.884 18 D CB -0.268 40.391 40.800 -0.235 0.000 0.915 18 D HN 0.621 8.991 8.370 0.000 0.000 0.526 19 Y N 0.871 120.923 120.300 -0.414 0.000 2.133 19 Y HA -0.088 4.462 4.550 -0.000 0.000 0.287 19 Y C -0.369 174.890 175.900 -1.068 0.000 1.134 19 Y CA 1.218 58.714 58.100 -1.007 0.000 1.133 19 Y CB -1.592 36.006 38.460 -1.435 0.000 0.987 19 Y HN 0.089 8.369 8.280 0.000 0.000 0.502 20 P HA -0.187 4.233 4.420 0.000 0.000 0.214 20 P C -1.307 175.994 177.300 0.002 0.000 1.163 20 P CA 2.595 65.728 63.100 0.054 0.000 0.889 20 P CB -1.170 30.672 31.700 0.236 0.000 0.790 21 P HA -0.069 4.351 4.420 0.000 0.000 0.219 21 P C 1.369 178.600 177.300 -0.115 0.000 1.150 21 P CA 1.522 64.577 63.100 -0.075 0.000 0.814 21 P CB -0.210 31.444 31.700 -0.077 0.000 0.787 22 R N -1.221 119.153 120.500 -0.210 0.000 2.075 22 R HA -0.080 4.259 4.340 -0.001 0.000 0.232 22 R C 2.499 178.702 176.300 -0.162 0.000 1.126 22 R CA 1.240 57.203 56.100 -0.228 0.000 0.963 22 R CB -0.594 29.501 30.300 -0.342 0.000 0.858 22 R HN 0.233 8.503 8.270 0.000 0.000 0.435 23 W N 0.784 121.969 121.300 -0.193 0.000 2.335 23 W HA -0.099 4.561 4.660 -0.001 0.000 0.311 23 W C 2.446 178.782 176.519 -0.304 0.000 1.213 23 W CA 1.028 58.207 57.345 -0.276 0.000 1.274 23 W CB -1.091 28.167 29.460 -0.336 0.000 1.148 23 W HN 0.197 8.377 8.180 0.000 0.000 0.498 24 A N 0.426 123.251 122.820 0.008 0.000 1.877 24 A HA -0.056 4.264 4.320 -0.001 0.000 0.216 24 A C 2.249 179.805 177.584 -0.048 0.000 1.186 24 A CA 2.999 55.016 52.037 -0.034 0.000 0.620 24 A CB -1.215 17.776 19.000 -0.015 0.000 0.822 24 A HN 0.150 8.300 8.150 0.000 0.000 0.443 25 A N -0.660 122.119 122.820 -0.068 0.000 1.877 25 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 25 A C 2.467 180.002 177.584 -0.081 0.000 1.186 25 A CA 2.165 54.162 52.037 -0.067 0.000 0.620 25 A CB -1.020 17.934 19.000 -0.076 0.000 0.822 25 A HN 0.453 8.604 8.150 0.000 0.000 0.443 26 S N -0.238 115.359 115.700 -0.171 0.000 2.359 26 S HA -0.108 4.362 4.470 -0.001 0.000 0.224 26 S C 2.314 176.848 174.600 -0.109 0.000 1.035 26 S CA 1.385 59.437 58.200 -0.245 0.000 1.018 26 S CB -0.515 62.283 63.200 -0.670 0.000 0.876 26 S HN 0.815 9.125 8.310 0.000 0.000 0.448 27 A N 1.134 123.915 122.820 -0.064 0.000 1.902 27 A HA -0.153 4.167 4.320 -0.001 0.000 0.217 27 A C 2.035 179.719 177.584 0.168 0.000 1.181 27 A CA 1.757 53.897 52.037 0.172 0.000 0.623 27 A CB -0.662 18.441 19.000 0.172 0.000 0.818 27 A HN 0.592 8.742 8.150 0.000 0.000 0.443 28 E N -0.222 120.026 120.200 0.081 0.000 2.058 28 E HA -0.250 4.100 4.350 -0.001 0.000 0.194 28 E C 1.375 178.013 176.600 0.063 0.000 0.997 28 E CA 1.462 57.904 56.400 0.069 0.000 0.801 28 E CB -0.143 29.575 29.700 0.029 0.000 0.746 28 E HN 0.519 8.879 8.360 0.000 0.000 0.450 29 D N -0.191 120.238 120.400 0.049 0.000 2.149 29 D HA -0.178 4.462 4.640 -0.001 0.000 0.198 29 D C 1.651 177.988 176.300 0.062 0.000 0.990 29 D CA 0.841 54.864 54.000 0.039 0.000 0.839 29 D CB -0.365 40.450 40.800 0.024 0.000 0.948 29 D HN 0.239 8.609 8.370 0.000 0.000 0.460 30 F N 1.808 121.743 119.950 -0.024 0.000 2.113 30 F HA -0.090 4.436 4.527 -0.001 0.000 0.297 30 F C 2.298 178.078 175.800 -0.033 0.000 1.103 30 F CA 1.280 59.255 58.000 -0.041 0.000 1.248 30 F CB -0.023 38.936 39.000 -0.068 0.000 0.999 30 F HN -0.225 8.075 8.300 0.000 0.000 0.475 31 R N 0.322 120.783 120.500 -0.065 0.000 2.081 31 R HA -0.173 4.167 4.340 -0.001 0.000 0.235 31 R C 1.936 178.151 176.300 -0.141 0.000 1.131 31 R CA 1.567 57.608 56.100 -0.098 0.000 0.960 31 R CB -0.679 29.708 30.300 0.145 0.000 0.856 31 R HN 0.346 8.616 8.270 0.000 0.000 0.436 32 N N 0.457 119.110 118.700 -0.078 0.000 2.166 32 N HA -0.143 4.597 4.740 -0.001 0.000 0.186 32 N C 1.842 177.289 175.510 -0.105 0.000 1.019 32 N CA 1.832 54.843 53.050 -0.065 0.000 0.856 32 N CB -0.386 38.083 38.487 -0.030 0.000 0.993 32 N HN 0.251 8.631 8.380 0.000 0.000 0.426 33 S N 0.223 115.829 115.700 -0.156 0.000 2.419 33 S HA -0.047 4.423 4.470 -0.001 0.000 0.233 33 S C 1.833 176.316 174.600 -0.195 0.000 1.016 33 S CA 0.513 58.620 58.200 -0.154 0.000 0.974 33 S CB -0.339 62.777 63.200 -0.140 0.000 0.786 33 S HN 0.128 8.438 8.310 0.000 0.000 0.492 34 L N 0.859 121.896 121.223 -0.310 0.000 2.418 34 L HA 0.166 4.506 4.340 -0.001 0.000 0.218 34 L C 1.180 177.991 176.870 -0.099 0.000 1.125 34 L CA 0.759 55.454 54.840 -0.242 0.000 0.835 34 L CB -0.587 41.253 42.059 -0.365 0.000 0.953 34 L HN 0.277 8.507 8.230 0.000 0.000 0.454 35 Q N 0.145 119.898 119.800 -0.079 0.000 1.548 35 Q HA -0.336 4.004 4.340 -0.001 0.000 0.362 35 Q C 1.300 177.289 176.000 -0.018 0.000 0.909 35 Q CA 1.908 57.688 55.803 -0.038 0.000 0.779 35 Q CB -1.798 26.923 28.738 -0.029 0.000 3.939 35 Q HN 0.570 8.840 8.270 0.000 0.000 0.634 36 D N 1.056 121.451 120.400 -0.009 0.000 2.221 36 D HA -0.171 4.468 4.640 -0.001 0.000 0.204 36 D C 1.520 177.827 176.300 0.011 0.000 0.982 36 D CA 1.708 55.707 54.000 -0.001 0.000 0.857 36 D CB -0.344 40.456 40.800 0.000 0.000 0.934 36 D HN 0.397 8.767 8.370 0.000 0.000 0.475 37 R N 0.330 120.843 120.500 0.022 0.000 2.307 37 R HA 0.206 4.546 4.340 -0.001 0.000 0.199 37 R C 0.516 176.878 176.300 0.103 0.000 1.000 37 R CA 0.417 56.551 56.100 0.057 0.000 1.023 37 R CB 0.198 30.538 30.300 0.067 0.000 0.908 37 R HN 0.114 8.384 8.270 0.000 0.000 0.473 38 A N 1.699 124.572 122.820 0.087 0.000 2.280 38 A HA 0.302 4.622 4.320 -0.001 0.000 0.320 38 A C -0.363 177.211 177.584 -0.016 0.000 1.366 38 A CA -0.507 51.610 52.037 0.133 0.000 0.938 38 A CB 0.284 19.418 19.000 0.223 0.000 1.157 38 A HN 0.177 8.327 8.150 0.000 0.000 0.536 39 R N 3.307 123.734 120.500 -0.121 0.000 2.391 39 R HA 0.344 4.684 4.340 -0.001 0.000 0.310 39 R C -0.850 175.306 176.300 -0.240 0.000 1.174 39 R CA -0.132 55.877 56.100 -0.152 0.000 1.118 39 R CB 0.380 30.597 30.300 -0.139 0.000 1.134 39 R HN 0.666 8.936 8.270 0.000 0.000 0.524 40 L N 2.367 123.494 121.223 -0.160 0.000 2.375 40 L HA 0.199 4.539 4.340 -0.001 0.000 0.271 40 L C 0.665 177.444 176.870 -0.153 0.000 1.107 40 L CA -0.663 54.090 54.840 -0.145 0.000 0.806 40 L CB 0.578 42.614 42.059 -0.039 0.000 1.146 40 L HN 0.680 8.910 8.230 0.000 0.000 0.447 41 N N 1.405 120.019 118.700 -0.143 0.000 2.740 41 N HA -0.173 4.567 4.740 -0.001 0.000 0.248 41 N C -0.644 174.759 175.510 -0.179 0.000 1.062 41 N CA 0.598 53.579 53.050 -0.115 0.000 0.704 41 N CB -1.080 37.375 38.487 -0.053 0.000 0.968 41 N HN 0.471 8.851 8.380 0.000 0.000 0.547 42 L N 0.548 121.545 121.223 -0.376 0.000 2.426 42 L HA 0.153 4.493 4.340 -0.001 0.000 0.271 42 L C 0.998 177.728 176.870 -0.233 0.000 1.169 42 L CA 0.093 54.672 54.840 -0.435 0.000 0.836 42 L CB 0.732 42.260 42.059 -0.885 0.000 1.112 42 L HN 0.012 8.242 8.230 0.000 0.000 0.465 43 S N 1.107 116.792 115.700 -0.025 0.000 2.562 43 S HA 0.219 4.689 4.470 -0.001 0.000 0.275 43 S C 0.104 174.905 174.600 0.334 0.000 1.281 43 S CA -0.477 57.786 58.200 0.105 0.000 1.045 43 S CB 0.880 64.109 63.200 0.048 0.000 0.962 43 S HN 0.607 8.917 8.310 0.000 0.000 0.503 44 Y N -0.260 120.222 120.300 0.303 0.000 2.471 44 Y HA 0.674 5.224 4.550 -0.001 0.000 0.249 44 Y C 0.482 176.448 175.900 0.111 0.000 1.116 44 Y CA -0.272 57.959 58.100 0.219 0.000 1.240 44 Y CB 0.044 38.604 38.460 0.167 0.000 1.251 44 Y HN 0.685 8.965 8.280 0.000 0.000 0.527 45 G N 0.094 108.837 108.800 -0.096 0.000 2.600 45 G HA2 0.292 4.252 3.960 -0.001 0.000 0.293 45 G HA3 0.292 4.252 3.960 -0.001 0.000 0.293 45 G C -0.486 174.473 174.900 0.098 0.000 1.408 45 G CA -0.595 44.490 45.100 -0.025 0.000 0.782 45 G HN -0.090 8.200 8.290 0.000 0.000 0.482 46 E N -0.327 119.985 120.200 0.187 0.000 2.371 46 E HA 0.078 4.427 4.350 -0.001 0.000 0.194 46 E C 1.573 178.194 176.600 0.034 0.000 1.012 46 E CA 0.455 56.915 56.400 0.100 0.000 0.860 46 E CB 0.284 30.032 29.700 0.080 0.000 0.811 46 E HN 0.518 8.878 8.360 0.000 0.000 0.502 47 G N 1.329 110.133 108.800 0.006 0.000 2.544 47 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.242 47 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.242 47 G C 0.245 174.939 174.900 -0.342 0.000 1.247 47 G CA -0.423 44.413 45.100 -0.440 0.000 0.840 47 G HN -0.124 8.166 8.290 0.000 0.000 0.578 48 D N 0.364 120.621 120.400 -0.238 0.000 2.182 48 D HA -0.093 4.547 4.640 -0.001 0.000 0.201 48 D C 2.288 178.510 176.300 -0.131 0.000 0.986 48 D CA 1.065 54.983 54.000 -0.138 0.000 0.847 48 D CB 0.148 40.896 40.800 -0.088 0.000 0.942 48 D HN 0.458 8.828 8.370 0.000 0.000 0.467 49 R N -0.642 119.740 120.500 -0.198 0.000 2.362 49 R HA 0.133 4.473 4.340 -0.001 0.000 0.227 49 R C 0.163 176.471 176.300 0.013 0.000 0.905 49 R CA -0.093 55.975 56.100 -0.053 0.000 1.067 49 R CB 0.142 30.453 30.300 0.018 0.000 1.078 49 R HN 0.373 8.643 8.270 0.000 0.000 0.516 50 H N 1.361 120.318 119.070 -0.189 0.000 2.966 50 H HA 0.142 4.698 4.556 -0.001 0.000 0.217 50 H C -0.248 174.695 175.328 -0.642 0.000 1.906 50 H CA -0.116 55.483 56.048 -0.748 0.000 1.351 50 H CB 0.102 29.412 29.762 -0.754 0.000 1.722 50 H HN -0.270 8.010 8.280 0.000 0.000 0.562 51 K N 1.760 122.172 120.400 0.019 0.000 2.435 51 K HA 0.355 4.674 4.320 -0.001 0.000 0.251 51 K C -0.763 176.160 176.600 0.538 0.000 0.954 51 K CA -0.973 55.443 56.287 0.215 0.000 0.820 51 K CB 2.553 35.109 32.500 0.094 0.000 1.292 51 K HN 0.227 8.477 8.250 0.000 0.000 0.436 52 F N -1.494 118.607 119.950 0.253 0.000 2.613 52 F HA 0.550 5.077 4.527 -0.000 0.000 0.310 52 F C -0.880 174.951 175.800 0.052 0.000 1.085 52 F CA -1.086 57.025 58.000 0.185 0.000 0.945 52 F CB 1.298 40.402 39.000 0.173 0.000 1.298 52 F HN 0.154 8.454 8.300 0.000 0.000 0.455 53 D N 2.407 122.827 120.400 0.033 0.000 2.175 53 D HA 0.474 5.114 4.640 -0.001 0.000 0.248 53 D C -1.256 174.817 176.300 -0.380 0.000 1.047 53 D CA -0.069 53.752 54.000 -0.297 0.000 0.883 53 D CB 2.363 42.986 40.800 -0.294 0.000 1.180 53 D HN 0.625 8.995 8.370 0.000 0.000 0.438 54 L N 2.918 123.813 121.223 -0.548 0.000 2.343 54 L HA 0.440 4.780 4.340 -0.001 0.000 0.278 54 L C -1.687 174.916 176.870 -0.444 0.000 0.996 54 L CA -0.538 54.115 54.840 -0.311 0.000 0.831 54 L CB 0.656 42.683 42.059 -0.055 0.000 1.232 54 L HN 0.107 8.337 8.230 0.000 0.000 0.413 55 F N 5.728 125.782 119.950 0.174 0.000 2.404 55 F HA 0.552 5.078 4.527 -0.001 0.000 0.354 55 F C -0.136 175.764 175.800 0.167 0.000 1.122 55 F CA -0.620 57.489 58.000 0.183 0.000 1.080 55 F CB 1.030 40.206 39.000 0.293 0.000 1.131 55 F HN 0.219 8.519 8.300 0.000 0.000 0.471 56 L N 5.713 127.098 121.223 0.271 0.000 2.322 56 L HA 0.547 4.887 4.340 -0.001 0.000 0.279 56 L C -2.080 174.901 176.870 0.185 0.000 1.036 56 L CA -1.991 52.962 54.840 0.189 0.000 0.807 56 L CB 1.543 43.671 42.059 0.115 0.000 1.226 56 L HN 0.359 8.589 8.230 0.000 0.000 0.433 57 P HA 0.154 4.574 4.420 0.000 0.000 0.279 57 P C -0.136 177.216 177.300 0.088 0.000 1.282 57 P CA -0.402 62.778 63.100 0.134 0.000 0.788 57 P CB 0.977 32.749 31.700 0.120 0.000 1.139 58 E N -0.363 119.879 120.200 0.070 0.000 2.072 58 E HA -0.021 4.329 4.350 -0.001 0.000 0.190 58 E C 1.403 178.022 176.600 0.033 0.000 0.982 58 E CA 1.055 57.483 56.400 0.047 0.000 0.803 58 E CB -0.384 29.340 29.700 0.040 0.000 0.755 58 E HN 0.581 8.941 8.360 0.000 0.000 0.453 59 G N 0.423 109.239 108.800 0.026 0.000 2.641 59 G HA2 0.150 4.110 3.960 -0.001 0.000 0.239 59 G HA3 0.150 4.110 3.960 -0.001 0.000 0.239 59 G C -0.359 174.543 174.900 0.004 0.000 1.402 59 G CA -0.524 44.582 45.100 0.011 0.000 1.046 59 G HN -0.048 8.242 8.290 0.000 0.000 0.565 60 T N 2.679 117.226 114.554 -0.012 0.000 2.817 60 T HA 0.335 4.685 4.350 -0.001 0.000 0.295 60 T C -2.124 172.548 174.700 -0.048 0.000 0.958 60 T CA -0.300 61.786 62.100 -0.023 0.000 1.157 60 T CB 0.927 69.776 68.868 -0.031 0.000 0.898 60 T HN 0.165 8.405 8.240 0.000 0.000 0.536 61 P HA 0.043 4.463 4.420 0.000 0.000 0.266 61 P C 1.085 178.265 177.300 -0.199 0.000 1.195 61 P CA -0.330 62.719 63.100 -0.085 0.000 0.768 61 P CB 0.409 32.096 31.700 -0.023 0.000 0.838 62 V N 0.361 120.043 119.914 -0.386 0.000 3.306 62 V HA 0.399 4.518 4.120 -0.001 0.000 0.264 62 V C 0.765 176.427 176.094 -0.721 0.000 1.149 62 V CA 1.233 63.197 62.300 -0.559 0.000 1.143 62 V CB -0.961 30.423 31.823 -0.731 0.000 0.767 62 V HN 0.758 8.948 8.190 0.000 0.000 0.476 63 G N -0.325 108.102 108.800 -0.621 0.000 2.324 63 G HA2 0.422 4.382 3.960 -0.001 0.000 0.293 63 G HA3 0.422 4.382 3.960 -0.001 0.000 0.293 63 G C -2.169 172.809 174.900 0.130 0.000 1.297 63 G CA -0.271 44.622 45.100 -0.344 0.000 0.853 63 G HN 0.480 8.770 8.290 0.000 0.000 0.535 64 L N 0.386 121.845 121.223 0.393 0.000 2.313 64 L HA 0.877 5.217 4.340 -0.001 0.000 0.283 64 L C -1.283 175.918 176.870 0.552 0.000 1.013 64 L CA -1.176 53.911 54.840 0.411 0.000 0.816 64 L CB 1.300 43.487 42.059 0.214 0.000 1.236 64 L HN 0.604 8.834 8.230 0.000 0.000 0.419 65 F N 6.498 126.634 119.950 0.310 0.000 2.411 65 F HA 0.657 5.184 4.527 -0.001 0.000 0.352 65 F C -1.086 174.778 175.800 0.108 0.000 1.123 65 F CA -1.155 56.910 58.000 0.109 0.000 1.044 65 F CB 1.280 40.266 39.000 -0.023 0.000 1.135 65 F HN 0.188 8.488 8.300 0.000 0.000 0.461 66 V N 7.987 127.919 119.914 0.030 0.000 2.370 66 V HA 0.335 4.454 4.120 -0.001 0.000 0.283 66 V C -0.861 175.028 176.094 -0.341 0.000 1.023 66 V CA -0.752 61.434 62.300 -0.190 0.000 0.857 66 V CB 1.224 32.992 31.823 -0.093 0.000 0.985 66 V HN 0.642 8.832 8.190 0.000 0.000 0.443 67 F N 5.767 125.354 119.950 -0.604 0.000 2.449 67 F HA 0.733 5.259 4.527 -0.001 0.000 0.342 67 F C -0.471 175.188 175.800 -0.234 0.000 1.127 67 F CA -0.664 57.053 58.000 -0.471 0.000 0.975 67 F CB 1.623 40.264 39.000 -0.599 0.000 1.146 67 F HN 0.261 8.561 8.300 0.000 0.000 0.444 68 V N 6.541 125.836 119.914 -1.033 0.000 2.384 68 V HA 0.235 4.355 4.120 -0.001 0.000 0.287 68 V C -0.225 175.159 176.094 -1.184 0.000 1.020 68 V CA -0.760 61.073 62.300 -0.779 0.000 0.850 68 V CB 0.827 32.366 31.823 -0.473 0.000 0.987 68 V HN 0.881 9.071 8.190 0.000 0.000 0.436 69 H N 2.900 121.434 119.070 -0.894 0.000 2.671 69 H HA 0.714 5.269 4.556 -0.000 0.000 0.372 69 H C 0.489 175.457 175.328 -0.600 0.000 1.227 69 H CA 0.333 55.757 56.048 -1.040 0.000 1.426 69 H CB 0.969 30.006 29.762 -1.209 0.000 1.480 69 H HN 0.665 8.945 8.280 0.000 0.000 0.611 70 G N -1.526 106.894 108.800 -0.633 0.000 2.702 70 G HA2 0.474 4.434 3.960 -0.001 0.000 0.254 70 G HA3 0.474 4.434 3.960 -0.001 0.000 0.254 70 G C 0.315 175.164 174.900 -0.085 0.000 1.380 70 G CA -1.081 43.734 45.100 -0.476 0.000 1.042 70 G HN 1.548 9.838 8.290 0.000 0.000 0.557 71 G N -2.829 105.925 108.800 -0.076 0.000 2.189 71 G HA2 0.033 3.992 3.960 -0.001 0.000 0.113 71 G HA3 0.033 3.992 3.960 -0.001 0.000 0.113 71 G C 0.169 175.282 174.900 0.354 0.000 1.038 71 G CA 0.306 45.611 45.100 0.340 0.000 0.704 71 G HN 1.378 9.668 8.290 0.000 0.000 0.490 72 Y N -1.518 118.795 120.300 0.022 0.000 3.589 72 Y HA -0.200 4.350 4.550 -0.001 0.000 0.218 72 Y C 1.588 177.729 175.900 0.403 0.000 1.234 72 Y CA 0.752 58.891 58.100 0.065 0.000 1.576 72 Y CB -2.223 36.456 38.460 0.364 0.000 1.487 72 Y HN 0.933 9.213 8.280 0.000 0.000 0.616 76 F N -0.821 119.266 119.950 0.228 0.000 2.183 76 F HA 0.036 4.563 4.527 -0.001 0.000 0.318 76 F C 0.377 176.220 175.800 0.071 0.000 0.454 76 F CA 1.664 59.771 58.000 0.178 0.000 0.912 76 F CB -0.442 38.768 39.000 0.349 0.000 4.135 76 F HN 1.277 9.577 8.300 0.000 0.000 0.137 77 D N -1.193 119.253 120.400 0.077 0.000 2.752 77 D HA 0.369 5.008 4.640 -0.001 0.000 0.313 77 D C 0.082 176.306 176.300 -0.127 0.000 1.225 77 D CA -0.424 53.557 54.000 -0.031 0.000 0.976 77 D CB 0.739 41.575 40.800 0.060 0.000 1.443 77 D HN 0.652 9.022 8.370 0.000 0.000 0.515 78 K N -0.494 119.973 120.400 0.112 0.000 2.209 78 K HA -0.073 4.247 4.320 -0.001 0.000 0.204 78 K C 1.032 177.800 176.600 0.280 0.000 1.048 78 K CA 1.257 57.734 56.287 0.317 0.000 0.940 78 K CB -0.373 32.325 32.500 0.330 0.000 0.729 78 K HN 0.173 8.423 8.250 0.000 0.000 0.451 79 S N 0.932 116.707 115.700 0.125 0.000 2.555 79 S HA 0.011 4.481 4.470 -0.001 0.000 0.230 79 S C 1.287 175.849 174.600 -0.064 0.000 0.978 79 S CA 0.732 58.980 58.200 0.080 0.000 0.934 79 S CB -0.009 63.230 63.200 0.065 0.000 0.766 79 S HN 0.343 8.653 8.310 0.000 0.000 0.533 80 S N -0.003 115.472 115.700 -0.374 0.000 2.593 80 S HA 0.107 4.577 4.470 -0.001 0.000 0.217 80 S C 0.187 174.218 174.600 -0.948 0.000 0.966 80 S CA -0.097 57.641 58.200 -0.771 0.000 0.914 80 S CB -0.123 62.419 63.200 -1.096 0.000 0.776 80 S HN 0.765 9.075 8.310 0.000 0.000 0.523 81 W N -0.132 121.190 121.300 0.036 0.000 2.324 81 W HA 0.345 5.005 4.660 -0.000 0.000 0.316 81 W C 1.575 177.915 176.519 -0.300 0.000 0.927 81 W CA -0.450 56.792 57.345 -0.173 0.000 1.438 81 W CB -0.622 28.780 29.460 -0.096 0.000 1.085 81 W HN -0.029 8.151 8.180 0.000 0.000 0.532 82 S N 0.785 116.527 115.700 0.069 0.000 2.383 82 S HA -0.288 4.181 4.470 -0.001 0.000 0.229 82 S C 1.768 175.904 174.600 -0.772 0.000 1.030 82 S CA 1.986 60.097 58.200 -0.149 0.000 1.002 82 S CB -0.833 62.485 63.200 0.196 0.000 0.829 82 S HN 0.502 8.812 8.310 0.000 0.000 0.467 83 H N 1.411 120.146 119.070 -0.558 0.000 2.489 83 H HA 0.051 4.606 4.556 -0.001 0.000 0.295 83 H C 1.580 176.514 175.328 -0.657 0.000 1.082 83 H CA 0.892 56.520 56.048 -0.701 0.000 1.295 83 H CB -0.757 28.860 29.762 -0.242 0.000 1.380 83 H HN 0.384 8.664 8.280 0.000 0.000 0.548 84 L N 0.546 121.201 121.223 -0.947 0.000 2.610 84 L HA 0.127 4.466 4.340 -0.001 0.000 0.232 84 L C 2.634 179.161 176.870 -0.571 0.000 1.149 84 L CA 0.425 54.812 54.840 -0.755 0.000 0.872 84 L CB -0.257 41.251 42.059 -0.918 0.000 0.992 84 L HN 0.314 8.544 8.230 0.000 0.000 0.447 85 A N -0.249 122.176 122.820 -0.659 0.000 2.119 85 A HA -0.032 4.287 4.320 -0.001 0.000 0.216 85 A C 2.279 179.724 177.584 -0.233 0.000 1.152 85 A CA 0.616 52.420 52.037 -0.388 0.000 0.708 85 A CB -0.318 18.410 19.000 -0.453 0.000 0.805 85 A HN 0.169 8.319 8.150 0.000 0.000 0.460 86 V N 0.157 119.861 119.914 -0.350 0.000 2.282 86 V HA -0.271 3.849 4.120 -0.001 0.000 0.249 86 V C 2.827 178.901 176.094 -0.034 0.000 1.057 86 V CA 2.168 64.394 62.300 -0.123 0.000 1.032 86 V CB -1.428 30.329 31.823 -0.110 0.000 0.645 86 V HN 0.588 8.778 8.190 0.000 0.000 0.447 87 G N -0.589 108.164 108.800 -0.079 0.000 2.459 87 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.217 87 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.217 87 G C 1.773 176.658 174.900 -0.026 0.000 1.183 87 G CA 1.186 46.246 45.100 -0.065 0.000 0.776 87 G HN 0.639 8.929 8.290 0.000 0.000 0.552 88 A N 0.383 123.191 122.820 -0.020 0.000 1.898 88 A HA 0.139 4.458 4.320 -0.001 0.000 0.216 88 A C 2.462 180.191 177.584 0.243 0.000 1.181 88 A CA 1.236 53.297 52.037 0.039 0.000 0.620 88 A CB -0.446 18.599 19.000 0.076 0.000 0.819 88 A HN 0.347 8.497 8.150 0.000 0.000 0.442 89 L N 0.574 121.929 121.223 0.219 0.000 2.081 89 L HA -0.240 4.100 4.340 -0.001 0.000 0.212 89 L C 3.049 180.033 176.870 0.189 0.000 1.080 89 L CA 1.753 56.735 54.840 0.237 0.000 0.754 89 L CB -0.463 41.730 42.059 0.225 0.000 0.893 89 L HN 0.657 8.887 8.230 0.000 0.000 0.433 90 S N -0.547 115.237 115.700 0.140 0.000 2.419 90 S HA -0.192 4.278 4.470 -0.001 0.000 0.233 90 S C 1.754 176.426 174.600 0.120 0.000 1.016 90 S CA 0.879 59.143 58.200 0.108 0.000 0.974 90 S CB -0.273 62.970 63.200 0.071 0.000 0.786 90 S HN 0.419 8.729 8.310 0.000 0.000 0.492 91 K N 0.707 121.213 120.400 0.178 0.000 2.444 91 K HA 0.260 4.579 4.320 -0.001 0.000 0.193 91 K C 1.180 177.904 176.600 0.207 0.000 1.024 91 K CA 0.407 56.825 56.287 0.220 0.000 1.077 91 K CB -0.044 32.640 32.500 0.306 0.000 0.833 91 K HN 0.594 8.844 8.250 0.000 0.000 0.517 92 G N 0.948 109.854 108.800 0.177 0.000 2.159 92 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.227 92 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.227 92 G C -0.562 174.330 174.900 -0.013 0.000 0.986 92 G CA -0.521 44.607 45.100 0.046 0.000 0.651 92 G HN 0.184 8.474 8.290 0.000 0.000 0.523 93 W N 1.072 122.421 121.300 0.082 0.000 2.316 93 W HA 0.725 5.385 4.660 -0.001 0.000 0.321 93 W C 0.636 177.247 176.519 0.154 0.000 1.203 93 W CA 0.072 57.485 57.345 0.114 0.000 1.214 93 W CB 0.989 30.529 29.460 0.134 0.000 1.169 93 W HN 0.517 8.697 8.180 0.000 0.000 0.561 94 A N 2.245 125.273 122.820 0.347 0.000 2.340 94 A HA 0.655 4.975 4.320 -0.001 0.000 0.268 94 A C -0.919 176.892 177.584 0.378 0.000 1.100 94 A CA -0.506 51.715 52.037 0.306 0.000 0.803 94 A CB 0.434 19.561 19.000 0.212 0.000 1.043 94 A HN 0.469 8.619 8.150 0.000 0.000 0.488 95 V N 1.577 121.703 119.914 0.354 0.000 2.483 95 V HA 0.652 4.771 4.120 -0.001 0.000 0.297 95 V C 0.498 176.750 176.094 0.262 0.000 1.027 95 V CA -0.066 62.413 62.300 0.298 0.000 0.855 95 V CB 0.960 32.979 31.823 0.326 0.000 0.995 95 V HN 1.270 9.460 8.190 0.000 0.000 0.424 99 S N 0.430 116.417 115.700 0.479 0.000 2.730 99 S HA 0.884 5.354 4.470 -0.001 0.000 0.284 99 S C -0.720 174.196 174.600 0.527 0.000 1.153 99 S CA -0.421 58.001 58.200 0.370 0.000 0.995 99 S CB 0.483 63.830 63.200 0.245 0.000 1.058 99 S HN 0.601 8.911 8.310 0.000 0.000 0.552 100 Y N -1.922 118.615 120.300 0.395 0.000 2.624 100 Y HA 0.559 5.109 4.550 -0.000 0.000 0.334 100 Y C -0.728 175.357 175.900 0.308 0.000 1.155 100 Y CA -1.289 57.042 58.100 0.385 0.000 1.046 100 Y CB 0.260 38.891 38.460 0.285 0.000 1.316 100 Y HN 0.486 8.766 8.280 0.000 0.000 0.457 101 E N 2.175 122.664 120.200 0.483 0.000 2.404 101 E HA 0.344 4.693 4.350 -0.001 0.000 0.261 101 E C -0.949 175.893 176.600 0.402 0.000 1.074 101 E CA -0.273 56.322 56.400 0.325 0.000 0.917 101 E CB 0.865 30.730 29.700 0.274 0.000 0.965 101 E HN 0.525 8.885 8.360 0.000 0.000 0.433 102 L N 1.262 122.661 121.223 0.294 0.000 2.330 102 L HA 0.367 4.706 4.340 -0.001 0.000 0.271 102 L C -0.321 176.721 176.870 0.287 0.000 1.013 102 L CA -1.186 53.855 54.840 0.334 0.000 0.816 102 L CB 1.642 43.856 42.059 0.259 0.000 1.287 102 L HN 0.587 8.817 8.230 0.000 0.000 0.435 103 C N 1.995 121.504 119.300 0.348 0.000 2.644 103 C HA 0.176 4.636 4.460 -0.001 0.000 0.417 103 C C -0.839 174.281 174.990 0.218 0.000 1.304 103 C CA -0.534 58.659 59.018 0.292 0.000 2.035 103 C CB 0.081 28.080 27.740 0.430 0.000 2.673 103 C HN 0.607 8.837 8.230 0.000 0.000 0.602 104 P HA 0.095 4.515 4.420 0.000 0.000 0.257 104 P C 0.581 177.943 177.300 0.102 0.000 1.281 104 P CA 0.620 63.787 63.100 0.112 0.000 0.826 104 P CB 0.246 31.983 31.700 0.062 0.000 1.237 105 E N 0.331 120.600 120.200 0.114 0.000 2.077 105 E HA -0.063 4.286 4.350 -0.001 0.000 0.193 105 E C 1.280 177.942 176.600 0.103 0.000 0.989 105 E CA 0.903 57.361 56.400 0.096 0.000 0.800 105 E CB -0.466 29.291 29.700 0.095 0.000 0.746 105 E HN 0.275 8.635 8.360 0.000 0.000 0.452 106 V N -2.596 117.397 119.914 0.131 0.000 3.126 106 V HA 0.562 4.681 4.120 -0.001 0.000 0.314 106 V C -0.284 175.876 176.094 0.110 0.000 1.138 106 V CA -1.314 61.059 62.300 0.121 0.000 1.034 106 V CB 2.172 34.087 31.823 0.155 0.000 1.075 106 V HN -0.146 8.044 8.190 0.000 0.000 0.442 107 R N 0.475 121.015 120.500 0.066 0.000 2.532 107 R HA 0.577 4.916 4.340 -0.001 0.000 0.272 107 R C 1.128 177.397 176.300 -0.052 0.000 1.032 107 R CA -0.517 55.592 56.100 0.014 0.000 1.089 107 R CB 1.449 31.744 30.300 -0.009 0.000 1.098 107 R HN 0.745 9.015 8.270 0.000 0.000 0.526 108 I N 0.795 121.235 120.570 -0.216 0.000 2.194 108 I HA -0.374 3.796 4.170 -0.001 0.000 0.246 108 I C 2.337 178.327 176.117 -0.212 0.000 1.093 108 I CA 1.914 62.956 61.300 -0.429 0.000 1.355 108 I CB -0.447 36.967 38.000 -0.977 0.000 1.046 108 I HN 0.724 8.934 8.210 0.000 0.000 0.413 109 S N 0.628 116.240 115.700 -0.147 0.000 2.383 109 S HA -0.236 4.233 4.470 -0.001 0.000 0.229 109 S C 1.729 176.316 174.600 -0.022 0.000 1.030 109 S CA 1.412 59.574 58.200 -0.064 0.000 1.002 109 S CB -0.604 62.564 63.200 -0.053 0.000 0.829 109 S HN 0.549 8.859 8.310 0.000 0.000 0.467 110 E N 1.243 121.441 120.200 -0.003 0.000 2.106 110 E HA -0.012 4.338 4.350 -0.001 0.000 0.192 110 E C 2.064 178.699 176.600 0.059 0.000 0.984 110 E CA 1.273 57.696 56.400 0.039 0.000 0.806 110 E CB -0.429 29.313 29.700 0.071 0.000 0.750 110 E HN 0.591 8.951 8.360 0.000 0.000 0.458 111 I N 1.144 121.747 120.570 0.055 0.000 2.226 111 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 111 I C 2.415 178.520 176.117 -0.020 0.000 1.100 111 I CA 1.151 62.484 61.300 0.054 0.000 1.374 111 I CB -0.537 37.497 38.000 0.057 0.000 1.057 111 I HN 0.089 8.299 8.210 0.000 0.000 0.413 112 T N 0.304 114.854 114.554 -0.007 0.000 2.665 112 T HA -0.222 4.127 4.350 -0.001 0.000 0.268 112 T C 1.923 176.594 174.700 -0.048 0.000 1.035 112 T CA 1.297 63.380 62.100 -0.029 0.000 1.151 112 T CB -0.233 68.633 68.868 -0.003 0.000 0.862 112 T HN 0.315 8.555 8.240 0.000 0.000 0.438 113 Q N 1.114 120.901 119.800 -0.022 0.000 2.096 113 Q HA -0.126 4.214 4.340 -0.001 0.000 0.204 113 Q C 2.443 178.426 176.000 -0.028 0.000 0.982 113 Q CA 1.523 57.313 55.803 -0.020 0.000 0.850 113 Q CB -0.488 28.250 28.738 -0.000 0.000 0.901 113 Q HN 0.672 8.942 8.270 0.000 0.000 0.422 114 Q N -0.284 119.521 119.800 0.008 0.000 2.096 114 Q HA -0.116 4.223 4.340 -0.001 0.000 0.204 114 Q C 2.056 177.959 176.000 -0.162 0.000 0.982 114 Q CA 0.831 56.666 55.803 0.054 0.000 0.850 114 Q CB -0.041 28.839 28.738 0.237 0.000 0.901 114 Q HN 0.304 8.574 8.270 0.000 0.000 0.422 115 I N 0.236 120.701 120.570 -0.175 0.000 2.315 115 I HA -0.209 3.961 4.170 -0.001 0.000 0.248 115 I C 2.433 178.383 176.117 -0.278 0.000 1.117 115 I CA 1.077 62.214 61.300 -0.273 0.000 1.404 115 I CB -1.206 36.652 38.000 -0.236 0.000 1.071 115 I HN 0.179 8.389 8.210 0.000 0.000 0.419 116 S N 0.382 115.971 115.700 -0.185 0.000 2.356 116 S HA -0.209 4.261 4.470 -0.001 0.000 0.223 116 S C 1.943 176.437 174.600 -0.176 0.000 1.032 116 S CA 1.284 59.397 58.200 -0.145 0.000 1.005 116 S CB -0.002 63.149 63.200 -0.081 0.000 0.867 116 S HN 0.407 8.717 8.310 0.000 0.000 0.449 117 Q N 0.792 120.487 119.800 -0.176 0.000 2.084 117 Q HA -0.021 4.318 4.340 -0.001 0.000 0.202 117 Q C 2.549 178.362 176.000 -0.312 0.000 0.978 117 Q CA 1.528 57.251 55.803 -0.133 0.000 0.844 117 Q CB -0.940 27.824 28.738 0.043 0.000 0.898 117 Q HN 0.672 8.942 8.270 0.000 0.000 0.426 118 A N 0.514 122.877 122.820 -0.762 0.000 1.858 118 A HA -0.126 4.193 4.320 -0.001 0.000 0.216 118 A C 2.476 179.669 177.584 -0.651 0.000 1.190 118 A CA 1.660 53.093 52.037 -1.007 0.000 0.617 118 A CB -0.766 17.496 19.000 -1.229 0.000 0.827 118 A HN 0.203 8.353 8.150 0.000 0.000 0.443 119 V N -0.205 119.442 119.914 -0.444 0.000 2.343 119 V HA -0.228 3.891 4.120 -0.001 0.000 0.247 119 V C 2.742 178.691 176.094 -0.241 0.000 1.051 119 V CA 2.462 64.579 62.300 -0.304 0.000 1.036 119 V CB -1.322 30.378 31.823 -0.206 0.000 0.654 119 V HN 0.611 8.801 8.190 0.000 0.000 0.451 120 T N 0.445 114.878 114.554 -0.201 0.000 2.720 120 T HA -0.200 4.149 4.350 -0.001 0.000 0.268 120 T C 2.055 176.686 174.700 -0.115 0.000 1.037 120 T CA 1.742 63.765 62.100 -0.128 0.000 1.144 120 T CB -0.432 68.383 68.868 -0.087 0.000 0.864 120 T HN 0.584 8.824 8.240 0.000 0.000 0.444 121 A N 1.399 124.125 122.820 -0.156 0.000 1.877 121 A HA 0.180 4.500 4.320 -0.001 0.000 0.216 121 A C 2.659 180.174 177.584 -0.114 0.000 1.186 121 A CA 1.818 53.805 52.037 -0.084 0.000 0.620 121 A CB -1.138 17.862 19.000 -0.000 0.000 0.822 121 A HN 0.506 8.656 8.150 0.000 0.000 0.443 122 A N -0.166 122.424 122.820 -0.385 0.000 1.933 122 A HA 0.172 4.492 4.320 -0.001 0.000 0.218 122 A C 2.438 179.992 177.584 -0.049 0.000 1.175 122 A CA 1.959 53.848 52.037 -0.246 0.000 0.628 122 A CB -0.940 17.820 19.000 -0.400 0.000 0.814 122 A HN 1.104 9.254 8.150 0.000 0.000 0.444 123 A N -0.360 122.415 122.820 -0.076 0.000 2.070 123 A HA -0.122 4.198 4.320 -0.001 0.000 0.220 123 A C 2.025 179.607 177.584 -0.002 0.000 1.159 123 A CA 1.663 53.682 52.037 -0.029 0.000 0.656 123 A CB -0.342 18.627 19.000 -0.052 0.000 0.800 123 A HN 0.572 8.722 8.150 0.000 0.000 0.453 124 K N -0.530 119.875 120.400 0.008 0.000 2.228 124 K HA -0.028 4.292 4.320 -0.001 0.000 0.202 124 K C 1.520 178.151 176.600 0.052 0.000 1.051 124 K CA 0.923 57.228 56.287 0.030 0.000 0.960 124 K CB 0.047 32.570 32.500 0.039 0.000 0.743 124 K HN 0.400 8.650 8.250 0.000 0.000 0.458 125 E N 0.255 120.504 120.200 0.080 0.000 2.158 125 E HA -0.001 4.348 4.350 -0.001 0.000 0.191 125 E C 0.563 177.207 176.600 0.073 0.000 0.982 125 E CA 0.707 57.165 56.400 0.097 0.000 0.823 125 E CB 0.401 30.199 29.700 0.164 0.000 0.766 125 E HN 0.142 8.502 8.360 0.000 0.000 0.468 126 I N 2.063 122.672 120.570 0.066 0.000 2.545 126 I HA 0.233 4.402 4.170 -0.001 0.000 0.292 126 I C -0.332 175.805 176.117 0.032 0.000 1.040 126 I CA -0.888 60.445 61.300 0.054 0.000 1.068 126 I CB 1.840 39.889 38.000 0.083 0.000 1.251 126 I HN -0.250 7.960 8.210 0.000 0.000 0.424 127 D N 3.431 123.838 120.400 0.012 0.000 2.253 127 D HA 0.713 5.352 4.640 -0.001 0.000 0.249 127 D C 0.652 176.941 176.300 -0.019 0.000 1.049 127 D CA 0.428 54.426 54.000 -0.004 0.000 0.929 127 D CB 1.873 42.666 40.800 -0.012 0.000 1.176 127 D HN 0.865 9.235 8.370 0.000 0.000 0.437 128 G N 0.686 109.475 108.800 -0.020 0.000 2.409 128 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.421 128 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.421 128 G C -2.816 172.087 174.900 0.005 0.000 1.259 128 G CA -1.065 44.014 45.100 -0.035 0.000 1.011 128 G HN 0.458 8.748 8.290 0.000 0.000 0.497 129 P HA 0.460 4.880 4.420 0.000 0.000 0.269 129 P C -0.217 177.212 177.300 0.216 0.000 1.209 129 P CA 0.191 63.355 63.100 0.107 0.000 0.776 129 P CB 0.588 32.378 31.700 0.151 0.000 0.876 130 I N 1.863 122.543 120.570 0.183 0.000 2.474 130 I HA 0.377 4.546 4.170 -0.001 0.000 0.294 130 I C 0.303 176.524 176.117 0.173 0.000 1.005 130 I CA -1.147 60.271 61.300 0.198 0.000 1.113 130 I CB 2.119 40.170 38.000 0.084 0.000 1.289 130 I HN 0.132 8.342 8.210 0.000 0.000 0.436 131 V N 4.961 124.977 119.914 0.170 0.000 2.735 131 V HA 0.689 4.809 4.120 -0.001 0.000 0.310 131 V C -0.918 175.271 176.094 0.158 0.000 1.061 131 V CA -0.674 61.643 62.300 0.028 0.000 0.913 131 V CB 2.016 33.658 31.823 -0.301 0.000 1.005 131 V HN 0.572 8.762 8.190 0.000 0.000 0.428 132 L N 3.711 125.003 121.223 0.115 0.000 2.381 132 L HA 1.011 5.350 4.340 -0.001 0.000 0.268 132 L C -0.010 176.969 176.870 0.182 0.000 0.997 132 L CA -0.731 54.210 54.840 0.168 0.000 0.818 132 L CB 2.070 44.166 42.059 0.061 0.000 1.310 132 L HN 1.050 9.280 8.230 0.000 0.000 0.416 133 A N 1.449 124.448 122.820 0.298 0.000 2.549 133 A HA 0.960 5.279 4.320 -0.001 0.000 0.297 133 A C -0.699 176.913 177.584 0.046 0.000 1.061 133 A CA -0.288 51.888 52.037 0.231 0.000 0.690 133 A CB 2.109 21.346 19.000 0.396 0.000 1.287 133 A HN 0.788 8.938 8.150 0.000 0.000 0.402 134 G N 0.022 108.775 108.800 -0.078 0.000 2.718 134 G HA2 0.564 4.524 3.960 -0.001 0.000 0.295 134 G HA3 0.564 4.524 3.960 -0.001 0.000 0.295 134 G C -1.644 173.140 174.900 -0.194 0.000 1.421 134 G CA -0.406 44.470 45.100 -0.374 0.000 0.902 134 G HN 0.970 9.260 8.290 0.000 0.000 0.501 135 H N 1.246 120.034 119.070 -0.470 0.000 2.511 135 H HA 0.544 5.099 4.556 -0.001 0.000 0.328 135 H C 0.769 175.876 175.328 -0.368 0.000 1.044 135 H CA 0.397 56.236 56.048 -0.349 0.000 1.212 135 H CB 1.533 31.076 29.762 -0.364 0.000 1.428 135 H HN 0.847 9.127 8.280 0.000 0.000 0.483 136 S N 3.155 118.587 115.700 -0.446 0.000 4.151 136 S HA -0.400 4.070 4.470 -0.001 0.000 0.617 136 S C 1.834 176.204 174.600 -0.383 0.000 1.878 136 S CA 1.813 59.779 58.200 -0.391 0.000 4.245 136 S CB -1.700 61.097 63.200 -0.670 0.000 0.205 136 S HN 0.978 9.288 8.310 0.000 0.000 0.468 137 A N 1.231 123.630 122.820 -0.702 0.000 1.978 137 A HA 0.156 4.475 4.320 -0.001 0.000 0.220 137 A C 2.511 179.768 177.584 -0.545 0.000 1.170 137 A CA 2.501 53.904 52.037 -1.057 0.000 0.636 137 A CB -1.550 16.430 19.000 -1.701 0.000 0.810 137 A HN 1.663 9.813 8.150 0.000 0.000 0.448 138 G N -0.873 107.622 108.800 -0.508 0.000 2.471 138 G HA2 0.080 4.040 3.960 -0.001 0.000 0.219 138 G HA3 0.080 4.040 3.960 -0.001 0.000 0.219 138 G C 1.374 176.103 174.900 -0.284 0.000 1.125 138 G CA 1.173 46.008 45.100 -0.442 0.000 0.775 138 G HN 0.679 8.969 8.290 0.000 0.000 0.548 139 G N -0.371 108.313 108.800 -0.193 0.000 2.408 139 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.215 139 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.215 139 G C 1.539 176.429 174.900 -0.017 0.000 1.156 139 G CA 1.061 46.114 45.100 -0.079 0.000 0.793 139 G HN 0.531 8.821 8.290 0.000 0.000 0.535 140 H N 0.925 119.974 119.070 -0.035 0.000 2.290 140 H HA -0.023 4.532 4.556 -0.001 0.000 0.298 140 H C 2.441 177.792 175.328 0.037 0.000 1.087 140 H CA 1.540 57.629 56.048 0.068 0.000 1.291 140 H CB -0.320 29.619 29.762 0.295 0.000 1.369 140 H HN 0.289 8.569 8.280 0.000 0.000 0.492 141 L N 1.007 122.182 121.223 -0.080 0.000 2.017 141 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 141 L C 3.226 179.979 176.870 -0.195 0.000 1.073 141 L CA 1.432 56.159 54.840 -0.189 0.000 0.745 141 L CB -0.540 41.424 42.059 -0.158 0.000 0.894 141 L HN 0.254 8.484 8.230 0.000 0.000 0.432 142 V N -2.349 117.474 119.914 -0.152 0.000 2.407 142 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 142 V C 2.584 178.668 176.094 -0.016 0.000 1.055 142 V CA 1.590 63.838 62.300 -0.087 0.000 1.049 142 V CB -1.315 30.468 31.823 -0.067 0.000 0.662 142 V HN 0.317 8.507 8.190 0.000 0.000 0.455 143 A N 0.574 123.394 122.820 -0.000 0.000 1.978 143 A HA -0.053 4.267 4.320 -0.001 0.000 0.220 143 A C 1.805 179.477 177.584 0.146 0.000 1.170 143 A CA 1.043 53.176 52.037 0.159 0.000 0.636 143 A CB -0.461 18.582 19.000 0.071 0.000 0.810 143 A HN 0.586 8.736 8.150 0.000 0.000 0.448 147 D N 2.714 123.057 120.400 -0.094 0.000 2.325 147 D HA 0.182 4.822 4.640 -0.001 0.000 0.251 147 D C -1.688 174.467 176.300 -0.240 0.000 1.196 147 D CA -1.670 52.216 54.000 -0.190 0.000 0.866 147 D CB 1.835 42.577 40.800 -0.097 0.000 1.101 147 D HN -0.065 8.305 8.370 0.000 0.000 0.476 148 P HA -0.090 4.330 4.420 0.000 0.000 0.225 148 P C 0.889 178.116 177.300 -0.121 0.000 1.148 148 P CA 0.701 63.517 63.100 -0.472 0.000 0.779 148 P CB 0.308 31.634 31.700 -0.623 0.000 0.780 149 E N -0.643 119.490 120.200 -0.112 0.000 2.358 149 E HA -0.052 4.298 4.350 -0.001 0.000 0.195 149 E C 1.392 177.978 176.600 -0.023 0.000 1.010 149 E CA 0.488 56.855 56.400 -0.055 0.000 0.856 149 E CB 0.065 29.728 29.700 -0.062 0.000 0.795 149 E HN 0.029 8.389 8.360 0.000 0.000 0.504 150 V N 0.528 120.433 119.914 -0.016 0.000 2.581 150 V HA 0.065 4.185 4.120 -0.001 0.000 0.240 150 V C 0.639 176.745 176.094 0.020 0.000 1.054 150 V CA 0.391 62.689 62.300 -0.004 0.000 1.076 150 V CB 0.309 32.121 31.823 -0.018 0.000 0.748 150 V HN 0.156 8.346 8.190 0.000 0.000 0.474 151 L N 1.467 122.738 121.223 0.080 0.000 2.329 151 L HA 0.601 4.941 4.340 -0.001 0.000 0.279 151 L C -2.659 174.284 176.870 0.122 0.000 1.014 151 L CA -2.132 52.758 54.840 0.083 0.000 0.814 151 L CB 1.380 43.502 42.059 0.105 0.000 1.257 151 L HN -0.020 8.210 8.230 0.000 0.000 0.424 152 P HA 0.002 4.422 4.420 0.000 0.000 0.266 152 P C 0.512 177.798 177.300 -0.023 0.000 1.195 152 P CA 0.163 63.277 63.100 0.024 0.000 0.768 152 P CB 0.667 32.359 31.700 -0.012 0.000 0.838 153 E N 2.693 122.910 120.200 0.028 0.000 2.085 153 E HA -0.250 4.100 4.350 -0.001 0.000 0.194 153 E C 2.028 178.545 176.600 -0.139 0.000 0.994 153 E CA 1.650 58.036 56.400 -0.023 0.000 0.801 153 E CB -0.983 28.762 29.700 0.075 0.000 0.743 153 E HN 0.550 8.910 8.360 0.000 0.000 0.453 154 A N -0.111 122.658 122.820 -0.084 0.000 1.978 154 A HA -0.095 4.225 4.320 -0.001 0.000 0.220 154 A C 2.515 180.027 177.584 -0.119 0.000 1.170 154 A CA 1.858 53.846 52.037 -0.081 0.000 0.636 154 A CB -0.567 18.405 19.000 -0.047 0.000 0.810 154 A HN 0.434 8.584 8.150 0.000 0.000 0.448 155 V N -0.569 119.255 119.914 -0.150 0.000 2.331 155 V HA -0.032 4.088 4.120 -0.001 0.000 0.242 155 V C 2.851 178.779 176.094 -0.276 0.000 1.034 155 V CA 1.472 63.674 62.300 -0.164 0.000 1.027 155 V CB -1.578 30.167 31.823 -0.131 0.000 0.667 155 V HN 0.548 8.738 8.190 0.000 0.000 0.457 156 G N 0.344 108.830 108.800 -0.524 0.000 2.503 156 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.221 156 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.221 156 G C 1.709 176.189 174.900 -0.700 0.000 1.131 156 G CA 1.314 45.766 45.100 -1.081 0.000 0.756 156 G HN 0.624 8.914 8.290 0.000 0.000 0.572 157 A N 0.318 122.872 122.820 -0.443 0.000 2.019 157 A HA 0.008 4.327 4.320 -0.001 0.000 0.219 157 A C 2.409 179.922 177.584 -0.117 0.000 1.164 157 A CA 1.524 53.442 52.037 -0.198 0.000 0.644 157 A CB -0.258 18.668 19.000 -0.123 0.000 0.805 157 A HN 0.411 8.561 8.150 0.000 0.000 0.449 158 R N -0.950 119.479 120.500 -0.118 0.000 2.300 158 R HA 0.292 4.631 4.340 -0.001 0.000 0.199 158 R C -0.282 176.006 176.300 -0.020 0.000 0.920 158 R CA -0.133 55.937 56.100 -0.051 0.000 1.046 158 R CB 0.027 30.302 30.300 -0.041 0.000 0.984 158 R HN 0.435 8.705 8.270 0.000 0.000 0.493 159 I N 1.692 122.229 120.570 -0.055 0.000 2.505 159 I HA -0.024 4.146 4.170 -0.001 0.000 0.287 159 I C 1.613 177.740 176.117 0.018 0.000 1.104 159 I CA 0.282 61.575 61.300 -0.012 0.000 1.387 159 I CB 0.822 38.803 38.000 -0.032 0.000 1.404 159 I HN 0.115 8.325 8.210 0.000 0.000 0.528 160 R N 5.144 125.673 120.500 0.049 0.000 2.103 160 R HA 0.171 4.510 4.340 -0.001 0.000 0.212 160 R C 0.140 176.463 176.300 0.039 0.000 1.107 160 R CA 0.507 56.638 56.100 0.053 0.000 1.025 160 R CB 0.497 30.851 30.300 0.090 0.000 0.929 160 R HN 0.608 8.878 8.270 0.000 0.000 0.456 161 N N -0.112 118.602 118.700 0.023 0.000 2.262 161 N HA 0.337 5.077 4.740 -0.001 0.000 0.295 161 N C -1.662 173.857 175.510 0.015 0.000 1.161 161 N CA -0.505 52.550 53.050 0.007 0.000 0.767 161 N CB 2.813 41.273 38.487 -0.045 0.000 1.499 161 N HN -0.134 8.246 8.380 0.000 0.000 0.476 162 V N 0.907 120.846 119.914 0.042 0.000 2.686 162 V HA 0.404 4.524 4.120 -0.001 0.000 0.306 162 V C -0.597 175.539 176.094 0.070 0.000 1.065 162 V CA -0.758 61.579 62.300 0.063 0.000 0.894 162 V CB 2.212 34.100 31.823 0.108 0.000 1.004 162 V HN 0.401 8.591 8.190 0.000 0.000 0.424 163 V N 6.186 126.128 119.914 0.048 0.000 2.320 163 V HA 0.342 4.462 4.120 -0.001 0.000 0.268 163 V C -2.602 173.530 176.094 0.063 0.000 1.021 163 V CA -1.752 60.581 62.300 0.055 0.000 0.813 163 V CB 1.508 33.318 31.823 -0.021 0.000 1.054 163 V HN 0.709 8.899 8.190 0.000 0.000 0.444 164 P HA 0.349 4.769 4.420 0.000 0.000 0.276 164 P C -0.464 176.901 177.300 0.108 0.000 1.243 164 P CA 0.170 63.302 63.100 0.053 0.000 0.768 164 P CB 0.629 32.337 31.700 0.014 0.000 0.856 165 I N 2.217 122.847 120.570 0.099 0.000 2.355 165 I HA 0.130 4.300 4.170 -0.001 0.000 0.288 165 I C 0.172 176.388 176.117 0.165 0.000 0.999 165 I CA -0.492 60.906 61.300 0.164 0.000 1.163 165 I CB 0.814 38.865 38.000 0.085 0.000 1.316 165 I HN 0.317 8.527 8.210 0.000 0.000 0.454 166 S N 4.647 120.475 115.700 0.212 0.000 3.631 166 S HA -0.103 4.367 4.470 -0.001 0.000 0.366 166 S C -2.085 172.699 174.600 0.306 0.000 0.993 166 S CA -0.146 58.208 58.200 0.255 0.000 1.167 166 S CB -1.715 61.541 63.200 0.093 0.000 0.909 166 S HN 0.544 8.854 8.310 0.000 0.000 0.478 167 P HA 0.359 4.779 4.420 0.000 0.000 0.276 167 P C -0.372 177.065 177.300 0.229 0.000 1.252 167 P CA -0.608 62.590 63.100 0.163 0.000 0.802 167 P CB 0.594 32.336 31.700 0.069 0.000 1.035 168 L N 2.130 123.481 121.223 0.213 0.000 2.255 168 L HA 0.152 4.492 4.340 -0.001 0.000 0.289 168 L C 1.604 178.603 176.870 0.216 0.000 1.046 168 L CA 0.367 55.341 54.840 0.223 0.000 0.816 168 L CB 0.360 42.606 42.059 0.311 0.000 1.197 168 L HN 0.544 8.774 8.230 0.000 0.000 0.427 169 S N 0.456 116.251 115.700 0.159 0.000 2.497 169 S HA 0.107 4.576 4.470 -0.001 0.000 0.218 169 S C 0.397 175.058 174.600 0.102 0.000 1.023 169 S CA -0.220 58.031 58.200 0.085 0.000 0.913 169 S CB 0.556 63.750 63.200 -0.010 0.000 0.800 169 S HN 0.582 8.892 8.310 0.000 0.000 0.505 170 D N 0.825 121.316 120.400 0.152 0.000 2.473 170 D HA 0.352 4.992 4.640 -0.001 0.000 0.253 170 D C 0.532 176.860 176.300 0.047 0.000 1.233 170 D CA -0.484 53.550 54.000 0.056 0.000 0.908 170 D CB 1.189 41.961 40.800 -0.047 0.000 1.170 170 D HN 0.159 8.529 8.370 0.000 0.000 0.558 171 L N 3.067 124.279 121.223 -0.018 0.000 2.554 171 L HA 0.124 4.463 4.340 -0.001 0.000 0.226 171 L C 2.271 179.088 176.870 -0.088 0.000 1.137 171 L CA 0.049 54.839 54.840 -0.082 0.000 0.863 171 L CB -0.023 41.914 42.059 -0.205 0.000 0.985 171 L HN 0.228 8.458 8.230 0.000 0.000 0.451 172 R N 0.878 121.332 120.500 -0.077 0.000 2.096 172 R HA -0.183 4.157 4.340 -0.001 0.000 0.240 172 R C -0.370 175.899 176.300 -0.051 0.000 1.139 172 R CA 1.777 57.833 56.100 -0.073 0.000 0.952 172 R CB -1.458 28.786 30.300 -0.093 0.000 0.854 172 R HN 0.300 8.570 8.270 0.000 0.000 0.436 173 P HA -0.128 4.292 4.420 0.000 0.000 0.223 173 P C 0.674 177.908 177.300 -0.110 0.000 1.144 173 P CA 1.129 64.229 63.100 -0.000 0.000 0.783 173 P CB 0.003 31.790 31.700 0.145 0.000 0.771 174 L N -1.728 119.408 121.223 -0.145 0.000 2.376 174 L HA -0.057 4.282 4.340 -0.001 0.000 0.219 174 L C 2.054 178.921 176.870 -0.006 0.000 1.133 174 L CA 0.652 55.431 54.840 -0.103 0.000 0.816 174 L CB -0.729 41.346 42.059 0.026 0.000 0.933 174 L HN 0.013 8.243 8.230 0.000 0.000 0.449 175 L N -0.378 120.838 121.223 -0.013 0.000 2.275 175 L HA -0.114 4.225 4.340 -0.001 0.000 0.215 175 L C 1.737 178.602 176.870 -0.009 0.000 1.119 175 L CA 0.928 55.766 54.840 -0.004 0.000 0.790 175 L CB -0.356 41.694 42.059 -0.014 0.000 0.919 175 L HN 0.247 8.477 8.230 0.000 0.000 0.443 176 R N 0.039 120.535 120.500 -0.007 0.000 2.586 176 R HA 0.095 4.435 4.340 -0.001 0.000 0.306 176 R C 0.175 176.481 176.300 0.011 0.000 1.079 176 R CA -0.015 56.090 56.100 0.008 0.000 1.083 176 R CB 0.145 30.463 30.300 0.031 0.000 1.306 176 R HN 0.260 8.530 8.270 0.000 0.000 0.567 177 T N -3.472 111.071 114.554 -0.019 0.000 2.907 177 T HA 0.453 4.803 4.350 -0.001 0.000 0.292 177 T C 0.389 175.048 174.700 -0.069 0.000 1.043 177 T CA -0.744 61.337 62.100 -0.031 0.000 1.003 177 T CB 2.118 70.948 68.868 -0.063 0.000 1.084 177 T HN -0.105 8.135 8.240 0.000 0.000 0.483 181 E N 0.586 120.667 120.200 -0.199 0.000 2.204 181 E HA -0.052 4.298 4.350 -0.001 0.000 0.195 181 E C 1.033 177.554 176.600 -0.131 0.000 0.990 181 E CA 0.996 57.320 56.400 -0.127 0.000 0.821 181 E CB 0.197 29.835 29.700 -0.102 0.000 0.750 181 E HN 0.346 8.706 8.360 0.000 0.000 0.477 182 K N -0.314 119.940 120.400 -0.243 0.000 2.202 182 K HA 0.030 4.350 4.320 -0.001 0.000 0.201 182 K C 1.665 178.235 176.600 -0.050 0.000 1.051 182 K CA 0.506 56.692 56.287 -0.168 0.000 0.977 182 K CB 0.106 32.487 32.500 -0.198 0.000 0.792 182 K HN 0.044 8.294 8.250 0.000 0.000 0.469 183 F N 1.977 121.919 119.950 -0.014 0.000 2.259 183 F HA 0.061 4.588 4.527 -0.001 0.000 0.298 183 F C 0.460 176.217 175.800 -0.073 0.000 1.088 183 F CA 0.194 58.151 58.000 -0.071 0.000 1.358 183 F CB -0.883 38.031 39.000 -0.144 0.000 1.040 183 F HN -0.106 8.194 8.300 0.000 0.000 0.505 187 A N 0.337 123.138 122.820 -0.033 0.000 1.873 187 A HA -0.241 4.079 4.320 -0.001 0.000 0.218 187 A C 1.517 179.075 177.584 -0.045 0.000 1.193 187 A CA 2.493 54.506 52.037 -0.040 0.000 0.629 187 A CB -1.024 17.955 19.000 -0.036 0.000 0.826 187 A HN 0.620 8.770 8.150 0.000 0.000 0.447 188 D N -0.148 120.229 120.400 -0.038 0.000 2.123 188 D HA -0.098 4.542 4.640 -0.001 0.000 0.196 188 D C 2.233 178.507 176.300 -0.044 0.000 0.992 188 D CA 1.628 55.606 54.000 -0.038 0.000 0.833 188 D CB -0.485 40.296 40.800 -0.030 0.000 0.954 188 D HN 0.461 8.831 8.370 0.000 0.000 0.455 189 A N 1.055 123.846 122.820 -0.049 0.000 1.898 189 A HA -0.026 4.294 4.320 -0.001 0.000 0.216 189 A C 2.343 179.874 177.584 -0.089 0.000 1.181 189 A CA 2.200 54.199 52.037 -0.063 0.000 0.620 189 A CB -0.710 18.253 19.000 -0.062 0.000 0.819 189 A HN 0.237 8.387 8.150 0.000 0.000 0.442 190 A N 0.010 122.775 122.820 -0.092 0.000 1.902 190 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 190 A C 2.125 179.658 177.584 -0.085 0.000 1.181 190 A CA 1.582 53.550 52.037 -0.114 0.000 0.623 190 A CB -0.637 18.305 19.000 -0.098 0.000 0.818 190 A HN 0.504 8.654 8.150 0.000 0.000 0.443 191 I N -0.252 120.279 120.570 -0.064 0.000 2.179 191 I HA -0.293 3.877 4.170 -0.001 0.000 0.242 191 I C 2.954 179.052 176.117 -0.031 0.000 1.088 191 I CA 1.145 62.416 61.300 -0.048 0.000 1.357 191 I CB -0.347 37.626 38.000 -0.045 0.000 1.051 191 I HN 0.355 8.565 8.210 0.000 0.000 0.409 192 A N -0.249 122.549 122.820 -0.036 0.000 1.972 192 A HA -0.163 4.156 4.320 -0.001 0.000 0.219 192 A C 1.997 179.575 177.584 -0.010 0.000 1.169 192 A CA 1.491 53.513 52.037 -0.025 0.000 0.635 192 A CB -0.269 18.711 19.000 -0.033 0.000 0.810 192 A HN 0.335 8.485 8.150 0.000 0.000 0.446 193 E N 0.490 120.680 120.200 -0.017 0.000 2.465 193 E HA 0.154 4.503 4.350 -0.001 0.000 0.195 193 E C -0.522 176.165 176.600 0.145 0.000 1.028 193 E CA 0.019 56.450 56.400 0.052 0.000 0.899 193 E CB 0.233 29.912 29.700 -0.034 0.000 1.032 193 E HN 0.358 8.718 8.360 0.000 0.000 0.468 194 S N 1.998 117.741 115.700 0.071 0.000 2.422 194 S HA 0.202 4.671 4.470 -0.001 0.000 0.298 194 S C -1.723 172.941 174.600 0.107 0.000 1.118 194 S CA -1.237 57.017 58.200 0.090 0.000 1.083 194 S CB 1.697 64.908 63.200 0.019 0.000 0.971 194 S HN -0.033 8.277 8.310 0.000 0.000 0.478 195 P HA -0.155 4.265 4.420 0.000 0.000 0.216 195 P C 1.690 179.108 177.300 0.198 0.000 1.150 195 P CA 0.824 64.014 63.100 0.151 0.000 0.843 195 P CB -0.170 31.492 31.700 -0.064 0.000 0.787 196 V N -3.765 116.162 119.914 0.022 0.000 2.867 196 V HA -0.136 3.983 4.120 -0.001 0.000 0.260 196 V C 1.035 177.220 176.094 0.151 0.000 1.099 196 V CA 1.394 63.717 62.300 0.037 0.000 1.122 196 V CB -0.941 30.855 31.823 -0.044 0.000 0.708 196 V HN 0.026 8.216 8.190 0.000 0.000 0.490 200 N N 1.676 120.258 118.700 -0.197 0.000 2.424 200 N HA 0.548 5.288 4.740 -0.001 0.000 0.271 200 N C -0.931 174.379 175.510 -0.334 0.000 0.985 200 N CA -0.272 52.635 53.050 -0.238 0.000 0.921 200 N CB 1.316 39.678 38.487 -0.209 0.000 1.149 200 N HN -0.086 8.294 8.380 0.000 0.000 0.492 201 R N 1.595 121.875 120.500 -0.366 0.000 2.673 201 R HA 0.319 4.658 4.340 -0.001 0.000 0.281 201 R C -1.129 174.988 176.300 -0.305 0.000 0.991 201 R CA -0.903 54.947 56.100 -0.415 0.000 0.896 201 R CB 1.365 31.321 30.300 -0.572 0.000 1.201 201 R HN 0.426 8.696 8.270 0.000 0.000 0.457 202 Y N 1.256 121.458 120.300 -0.164 0.000 2.597 202 Y HA -0.052 4.498 4.550 -0.000 0.000 0.336 202 Y C 0.401 176.236 175.900 -0.108 0.000 1.216 202 Y CA 0.324 58.358 58.100 -0.110 0.000 1.463 202 Y CB 0.210 38.622 38.460 -0.080 0.000 1.303 202 Y HN 0.478 8.758 8.280 0.000 0.000 0.576 203 D N 1.822 122.286 120.400 0.107 0.000 2.425 203 D HA 0.471 5.111 4.640 -0.001 0.000 0.247 203 D C -0.617 175.708 176.300 0.042 0.000 1.147 203 D CA 0.657 54.679 54.000 0.037 0.000 0.879 203 D CB 0.476 41.295 40.800 0.031 0.000 1.179 203 D HN 0.691 9.061 8.370 0.000 0.000 0.456 204 A N 2.056 124.892 122.820 0.027 0.000 2.586 204 A HA 0.361 4.681 4.320 -0.001 0.000 0.296 204 A C -1.126 176.486 177.584 0.046 0.000 1.040 204 A CA -1.007 51.053 52.037 0.038 0.000 0.701 204 A CB 0.945 19.974 19.000 0.048 0.000 1.277 204 A HN 0.424 8.574 8.150 0.000 0.000 0.413 205 K N 1.534 121.965 120.400 0.052 0.000 2.312 205 K HA 0.539 4.859 4.320 -0.001 0.000 0.287 205 K C -0.899 175.756 176.600 0.091 0.000 1.062 205 K CA -0.186 56.141 56.287 0.066 0.000 0.934 205 K CB 0.631 33.163 32.500 0.054 0.000 1.027 205 K HN 0.492 8.742 8.250 0.000 0.000 0.478 206 V N 4.014 124.007 119.914 0.131 0.000 2.394 206 V HA 0.255 4.374 4.120 -0.001 0.000 0.282 206 V C -0.323 175.862 176.094 0.152 0.000 1.031 206 V CA -0.630 61.775 62.300 0.175 0.000 0.881 206 V CB 1.723 33.737 31.823 0.318 0.000 0.982 206 V HN 0.799 8.989 8.190 0.000 0.000 0.451 207 T N 4.344 118.984 114.554 0.143 0.000 2.833 207 T HA 0.393 4.742 4.350 -0.001 0.000 0.297 207 T C -0.276 174.537 174.700 0.189 0.000 1.015 207 T CA -0.335 61.865 62.100 0.166 0.000 0.963 207 T CB 1.295 70.275 68.868 0.187 0.000 0.955 207 T HN 0.320 8.560 8.240 0.000 0.000 0.449 208 V N 4.837 124.845 119.914 0.156 0.000 2.432 208 V HA 0.293 4.412 4.120 -0.001 0.000 0.271 208 V C -0.357 175.902 176.094 0.275 0.000 1.046 208 V CA -0.763 61.621 62.300 0.140 0.000 0.945 208 V CB 0.569 32.380 31.823 -0.021 0.000 0.992 208 V HN 0.761 8.951 8.190 0.000 0.000 0.471 209 W N 6.357 127.704 121.300 0.077 0.000 2.532 209 W HA 0.723 5.383 4.660 -0.001 0.000 0.321 209 W C -1.477 175.087 176.519 0.076 0.000 1.037 209 W CA -0.604 56.786 57.345 0.076 0.000 1.220 209 W CB 1.782 31.259 29.460 0.029 0.000 1.361 209 W HN 0.429 8.609 8.180 0.000 0.000 0.468 210 V N 5.052 125.010 119.914 0.074 0.000 3.049 210 V HA 0.789 4.909 4.120 -0.001 0.000 0.309 210 V C -0.256 175.843 176.094 0.009 0.000 1.148 210 V CA -0.583 61.797 62.300 0.133 0.000 0.990 210 V CB 2.135 34.049 31.823 0.150 0.000 1.039 210 V HN 0.638 8.828 8.190 0.000 0.000 0.430 211 G N 2.333 111.174 108.800 0.067 0.000 2.372 211 G HA2 0.463 4.423 3.960 -0.001 0.000 0.283 211 G HA3 0.463 4.423 3.960 -0.001 0.000 0.283 211 G C 0.954 175.835 174.900 -0.032 0.000 1.177 211 G CA 0.173 45.280 45.100 0.011 0.000 0.842 211 G HN 1.401 9.691 8.290 0.000 0.000 0.503 212 G N 1.241 109.989 108.800 -0.087 0.000 2.471 212 G HA2 0.091 4.051 3.960 -0.001 0.000 0.219 212 G HA3 0.091 4.051 3.960 -0.001 0.000 0.219 212 G C 1.462 176.302 174.900 -0.100 0.000 1.125 212 G CA 1.289 46.323 45.100 -0.110 0.000 0.775 212 G HN 0.937 9.227 8.290 0.000 0.000 0.548 213 A N -0.118 122.650 122.820 -0.087 0.000 2.307 213 A HA 0.368 4.688 4.320 -0.001 0.000 0.218 213 A C 0.928 178.509 177.584 -0.005 0.000 1.228 213 A CA -0.189 51.814 52.037 -0.056 0.000 0.857 213 A CB 0.045 19.018 19.000 -0.045 0.000 0.897 213 A HN 0.414 8.564 8.150 0.000 0.000 0.495 214 E N 0.734 120.941 120.200 0.012 0.000 2.410 214 E HA 0.128 4.477 4.350 -0.001 0.000 0.255 214 E C -0.126 176.473 176.600 -0.002 0.000 1.194 214 E CA -0.548 55.874 56.400 0.038 0.000 0.955 214 E CB 0.391 30.147 29.700 0.094 0.000 0.988 214 E HN 0.243 8.603 8.360 0.000 0.000 0.461 215 R N 1.337 121.840 120.500 0.006 0.000 2.640 215 R HA -0.012 4.328 4.340 -0.001 0.000 0.270 215 R C -1.734 174.529 176.300 -0.062 0.000 1.024 215 R CA -1.189 54.877 56.100 -0.058 0.000 1.085 215 R CB -0.533 29.764 30.300 -0.005 0.000 0.963 215 R HN 0.373 8.643 8.270 0.000 0.000 0.426 216 P HA -0.207 4.213 4.420 0.000 0.000 0.217 216 P C 0.977 178.133 177.300 -0.240 0.000 1.151 216 P CA 1.980 64.980 63.100 -0.167 0.000 0.849 216 P CB 0.117 31.714 31.700 -0.172 0.000 0.787 217 A N -1.451 121.170 122.820 -0.332 0.000 1.908 217 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 217 A C 2.009 179.270 177.584 -0.538 0.000 1.181 217 A CA 1.576 53.276 52.037 -0.562 0.000 0.627 217 A CB -1.777 16.554 19.000 -1.116 0.000 0.818 217 A HN 0.109 8.259 8.150 0.000 0.000 0.445 218 F N -0.128 119.675 119.950 -0.245 0.000 2.186 218 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 218 F C 2.101 177.821 175.800 -0.134 0.000 1.090 218 F CA 1.209 59.142 58.000 -0.111 0.000 1.307 218 F CB -0.358 38.631 39.000 -0.018 0.000 1.019 218 F HN 0.090 8.390 8.300 0.000 0.000 0.489 219 L N -0.415 120.794 121.223 -0.023 0.000 2.083 219 L HA -0.231 4.109 4.340 -0.001 0.000 0.209 219 L C 1.944 178.661 176.870 -0.256 0.000 1.083 219 L CA 1.150 55.941 54.840 -0.081 0.000 0.752 219 L CB -0.616 41.394 42.059 -0.081 0.000 0.899 219 L HN 0.074 8.304 8.230 0.000 0.000 0.433 220 D N -0.759 119.361 120.400 -0.466 0.000 2.123 220 D HA -0.149 4.491 4.640 -0.001 0.000 0.200 220 D C 2.369 177.932 176.300 -1.229 0.000 0.976 220 D CA 0.760 54.195 54.000 -0.943 0.000 0.831 220 D CB -0.147 39.977 40.800 -1.126 0.000 0.974 220 D HN 0.245 8.615 8.370 0.000 0.000 0.469 221 Q N 0.546 119.902 119.800 -0.740 0.000 2.096 221 Q HA -0.120 4.220 4.340 -0.001 0.000 0.204 221 Q C 2.169 178.082 176.000 -0.144 0.000 0.982 221 Q CA 1.314 56.959 55.803 -0.262 0.000 0.850 221 Q CB -0.345 28.322 28.738 -0.120 0.000 0.901 221 Q HN 0.253 8.523 8.270 0.000 0.000 0.422 222 A N 0.744 123.468 122.820 -0.160 0.000 1.858 222 A HA -0.171 4.148 4.320 -0.001 0.000 0.216 222 A C 2.103 179.507 177.584 -0.299 0.000 1.190 222 A CA 1.387 53.338 52.037 -0.143 0.000 0.617 222 A CB -0.678 18.310 19.000 -0.020 0.000 0.827 222 A HN 0.327 8.477 8.150 0.000 0.000 0.443 223 I N -1.332 119.035 120.570 -0.338 0.000 2.361 223 I HA -0.184 3.986 4.170 -0.001 0.000 0.251 223 I C 2.011 178.044 176.117 -0.140 0.000 1.133 223 I CA 0.870 61.977 61.300 -0.322 0.000 1.413 223 I CB -0.272 37.616 38.000 -0.186 0.000 1.073 223 I HN 0.502 8.712 8.210 0.000 0.000 0.424 224 W N -0.497 120.721 121.300 -0.137 0.000 2.374 224 W HA -0.154 4.506 4.660 -0.000 0.000 0.288 224 W C 2.318 178.720 176.519 -0.194 0.000 1.218 224 W CA 0.636 57.905 57.345 -0.126 0.000 1.245 224 W CB -1.176 28.226 29.460 -0.096 0.000 1.126 224 W HN 0.208 8.388 8.180 0.000 0.000 0.545 225 L N -0.174 121.008 121.223 -0.068 0.000 2.095 225 L HA -0.087 4.253 4.340 -0.001 0.000 0.204 225 L C 2.276 178.970 176.870 -0.293 0.000 1.080 225 L CA 1.439 56.072 54.840 -0.345 0.000 0.759 225 L CB -1.164 40.628 42.059 -0.445 0.000 0.914 225 L HN -0.269 7.961 8.230 0.000 0.000 0.439 226 V N -0.163 119.621 119.914 -0.217 0.000 2.287 226 V HA -0.322 3.798 4.120 -0.001 0.000 0.248 226 V C 2.484 178.564 176.094 -0.023 0.000 1.053 226 V CA 2.144 64.358 62.300 -0.143 0.000 1.027 226 V CB -0.663 30.979 31.823 -0.302 0.000 0.646 226 V HN 0.489 8.679 8.190 0.000 0.000 0.447 227 E N 0.158 120.353 120.200 -0.008 0.000 2.077 227 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 227 E C 2.329 178.982 176.600 0.088 0.000 0.989 227 E CA 1.303 57.736 56.400 0.054 0.000 0.800 227 E CB -0.364 29.387 29.700 0.085 0.000 0.746 227 E HN 0.600 8.960 8.360 0.000 0.000 0.452 228 A N 0.428 123.294 122.820 0.077 0.000 1.933 228 A HA -0.153 4.166 4.320 -0.001 0.000 0.218 228 A C 1.162 178.994 177.584 0.414 0.000 1.175 228 A CA 1.099 53.241 52.037 0.176 0.000 0.628 228 A CB -0.416 18.642 19.000 0.096 0.000 0.814 228 A HN 0.339 8.489 8.150 0.000 0.000 0.444 229 W N -1.154 120.154 121.300 0.014 0.000 3.008 229 W HA 0.319 4.978 4.660 -0.001 0.000 0.355 229 W C 0.027 176.552 176.519 0.011 0.000 1.095 229 W CA -0.516 56.834 57.345 0.009 0.000 1.738 229 W CB -0.425 29.041 29.460 0.009 0.000 1.091 229 W HN 0.490 8.670 8.180 0.000 0.000 0.574 230 D N 0.346 120.878 120.400 0.219 0.000 2.686 230 D HA -0.161 4.479 4.640 -0.001 0.000 0.235 230 D C 0.207 176.593 176.300 0.142 0.000 1.160 230 D CA 1.028 55.110 54.000 0.137 0.000 0.645 230 D CB -0.840 40.021 40.800 0.101 0.000 1.039 230 D HN 0.087 8.457 8.370 0.000 0.000 0.423 231 A N 0.577 123.490 122.820 0.155 0.000 2.257 231 A HA 0.536 4.856 4.320 -0.001 0.000 0.289 231 A C 0.435 178.083 177.584 0.107 0.000 1.095 231 A CA -0.415 51.713 52.037 0.151 0.000 0.836 231 A CB 0.595 19.695 19.000 0.168 0.000 1.111 231 A HN 0.258 8.408 8.150 0.000 0.000 0.497 232 D N -0.291 120.178 120.400 0.116 0.000 2.358 232 D HA 0.404 5.044 4.640 -0.001 0.000 0.244 232 D C -0.255 176.141 176.300 0.160 0.000 1.163 232 D CA 0.865 54.937 54.000 0.119 0.000 0.945 232 D CB 0.368 41.233 40.800 0.109 0.000 1.152 232 D HN 0.582 8.952 8.370 0.000 0.000 0.451 233 H N -0.895 118.180 119.070 0.008 0.000 2.966 233 H HA 0.480 5.036 4.556 -0.001 0.000 0.347 233 H C -1.800 173.463 175.328 -0.107 0.000 1.048 233 H CA -0.769 55.259 56.048 -0.033 0.000 1.295 233 H CB 1.044 30.785 29.762 -0.035 0.000 1.744 233 H HN 0.038 8.318 8.280 0.000 0.000 0.513 234 V N 7.252 127.096 119.914 -0.116 0.000 2.483 234 V HA 0.300 4.420 4.120 -0.001 0.000 0.297 234 V C -0.064 175.656 176.094 -0.623 0.000 1.027 234 V CA -0.578 61.423 62.300 -0.499 0.000 0.855 234 V CB 1.630 32.925 31.823 -0.881 0.000 0.995 234 V HN 0.599 8.789 8.190 0.000 0.000 0.424 235 I N 4.317 124.548 120.570 -0.564 0.000 2.328 235 I HA 0.554 4.723 4.170 -0.001 0.000 0.287 235 I C 0.655 176.544 176.117 -0.380 0.000 1.012 235 I CA -0.394 60.652 61.300 -0.423 0.000 1.195 235 I CB 1.571 39.370 38.000 -0.335 0.000 1.350 235 I HN 0.686 8.896 8.210 0.000 0.000 0.464 236 A N 7.023 129.615 122.820 -0.380 0.000 2.350 236 A HA 0.248 4.568 4.320 -0.001 0.000 0.293 236 A C -0.203 177.366 177.584 -0.024 0.000 1.231 236 A CA -0.342 51.574 52.037 -0.202 0.000 0.883 236 A CB -0.215 18.761 19.000 -0.040 0.000 1.133 236 A HN 0.624 8.774 8.150 0.000 0.000 0.533 237 F N 3.446 123.329 119.950 -0.112 0.000 2.460 237 F HA -0.070 4.457 4.527 -0.001 0.000 0.413 237 F C 1.027 176.804 175.800 -0.039 0.000 0.967 237 F CA 1.488 59.446 58.000 -0.071 0.000 1.122 237 F CB -0.004 38.963 39.000 -0.055 0.000 0.927 237 F HN 0.861 9.161 8.300 0.000 0.000 0.527 238 E N 1.681 121.493 120.200 -0.646 0.000 3.065 238 E HA -0.292 4.058 4.350 -0.001 0.000 0.277 238 E C -0.031 176.437 176.600 -0.221 0.000 1.008 238 E CA 0.848 56.934 56.400 -0.523 0.000 0.864 238 E CB -1.185 28.058 29.700 -0.760 0.000 1.439 238 E HN 0.527 8.887 8.360 0.000 0.000 0.445 239 K N 1.162 121.475 120.400 -0.145 0.000 2.185 239 K HA 0.290 4.610 4.320 -0.001 0.000 0.271 239 K C 0.612 177.153 176.600 -0.099 0.000 1.013 239 K CA -0.081 56.122 56.287 -0.140 0.000 0.943 239 K CB 0.674 33.143 32.500 -0.051 0.000 0.998 239 K HN 0.305 8.555 8.250 0.000 0.000 0.468 240 H N -2.386 116.685 119.070 0.002 0.000 2.810 240 H HA 0.257 4.812 4.556 -0.001 0.000 0.316 240 H C 1.067 176.403 175.328 0.013 0.000 1.426 240 H CA -0.520 55.516 56.048 -0.020 0.000 1.413 240 H CB 0.131 29.854 29.762 -0.065 0.000 1.874 240 H HN 0.665 8.945 8.280 0.000 0.000 0.737 241 H N -0.759 118.384 119.070 0.121 0.000 2.387 241 H HA -0.067 4.489 4.556 -0.001 0.000 0.299 241 H C 0.741 176.329 175.328 0.433 0.000 1.090 241 H CA 2.046 58.147 56.048 0.088 0.000 1.332 241 H CB -0.014 29.613 29.762 -0.225 0.000 1.386 241 H HN 0.474 8.754 8.280 0.000 0.000 0.516 242 F N -0.120 120.032 119.950 0.337 0.000 2.569 242 F HA 0.048 4.575 4.527 -0.001 0.000 0.295 242 F C 1.826 177.673 175.800 0.078 0.000 1.115 242 F CA 0.664 58.757 58.000 0.154 0.000 1.450 242 F CB -0.478 38.279 39.000 -0.405 0.000 1.107 242 F HN 0.387 8.687 8.300 0.000 0.000 0.563 243 N N -0.201 118.547 118.700 0.081 0.000 2.254 243 N HA -0.029 4.710 4.740 -0.001 0.000 0.190 243 N C 1.471 176.956 175.510 -0.043 0.000 1.107 243 N CA 0.431 53.498 53.050 0.029 0.000 0.869 243 N CB -0.858 37.568 38.487 -0.102 0.000 0.983 243 N HN 0.113 8.493 8.380 0.000 0.000 0.487 244 V N 1.786 121.656 119.914 -0.074 0.000 2.568 244 V HA -0.142 3.978 4.120 -0.001 0.000 0.253 244 V C 1.898 177.936 176.094 -0.094 0.000 1.072 244 V CA 1.548 63.839 62.300 -0.016 0.000 1.084 244 V CB -0.446 31.404 31.823 0.045 0.000 0.676 244 V HN 0.518 8.708 8.190 0.000 0.000 0.469 245 I N -2.930 117.507 120.570 -0.221 0.000 3.251 245 I HA 0.000 4.170 4.170 -0.001 0.000 0.277 245 I C 2.066 178.056 176.117 -0.211 0.000 1.268 245 I CA 1.112 62.220 61.300 -0.319 0.000 1.449 245 I CB -0.654 37.021 38.000 -0.542 0.000 1.083 245 I HN 0.263 8.473 8.210 0.000 0.000 0.464 246 E N 2.128 122.293 120.200 -0.058 0.000 2.118 246 E HA -0.163 4.186 4.350 -0.001 0.000 0.195 246 E C -0.540 176.023 176.600 -0.062 0.000 0.992 246 E CA 1.442 57.844 56.400 0.004 0.000 0.804 246 E CB -1.115 28.646 29.700 0.101 0.000 0.741 246 E HN 0.511 8.871 8.360 0.000 0.000 0.458 247 P HA -0.157 4.263 4.420 0.000 0.000 0.223 247 P C 0.988 178.183 177.300 -0.175 0.000 1.144 247 P CA 0.961 64.000 63.100 -0.102 0.000 0.783 247 P CB 0.002 31.647 31.700 -0.091 0.000 0.771 248 L N -1.230 119.845 121.223 -0.247 0.000 2.187 248 L HA -0.168 4.171 4.340 -0.001 0.000 0.213 248 L C 2.216 178.947 176.870 -0.232 0.000 1.100 248 L CA 1.308 55.978 54.840 -0.284 0.000 0.765 248 L CB -0.895 40.929 42.059 -0.392 0.000 0.904 248 L HN -0.010 8.220 8.230 0.000 0.000 0.437 249 A N -1.423 121.283 122.820 -0.190 0.000 2.206 249 A HA -0.094 4.226 4.320 -0.001 0.000 0.211 249 A C 0.617 178.151 177.584 -0.084 0.000 1.158 249 A CA 0.473 52.425 52.037 -0.142 0.000 0.761 249 A CB -0.292 18.670 19.000 -0.063 0.000 0.801 249 A HN 0.304 8.454 8.150 0.000 0.000 0.473 250 D N -1.255 119.096 120.400 -0.080 0.000 2.381 250 D HA 0.395 5.035 4.640 -0.001 0.000 0.235 250 D C -2.152 174.116 176.300 -0.054 0.000 1.068 250 D CA -2.326 51.645 54.000 -0.048 0.000 0.832 250 D CB 1.667 42.448 40.800 -0.032 0.000 1.101 250 D HN -0.136 8.234 8.370 0.000 0.000 0.515 251 P HA -0.127 4.293 4.420 0.000 0.000 0.217 251 P C 0.422 177.706 177.300 -0.027 0.000 1.148 251 P CA 1.058 64.144 63.100 -0.023 0.000 0.834 251 P CB 0.369 32.072 31.700 0.005 0.000 0.783 252 E N -0.863 119.325 120.200 -0.019 0.000 2.465 252 E HA 0.077 4.426 4.350 -0.001 0.000 0.195 252 E C 0.480 177.071 176.600 -0.015 0.000 1.028 252 E CA 0.115 56.508 56.400 -0.012 0.000 0.899 252 E CB -0.223 29.477 29.700 0.000 0.000 1.032 252 E HN 0.294 8.654 8.360 0.000 0.000 0.468 253 S N 0.556 116.234 115.700 -0.036 0.000 2.585 253 S HA 0.094 4.564 4.470 -0.001 0.000 0.273 253 S C 0.793 175.379 174.600 -0.023 0.000 1.339 253 S CA -0.569 57.614 58.200 -0.028 0.000 1.028 253 S CB 1.492 64.653 63.200 -0.064 0.000 0.906 253 S HN -0.175 8.135 8.310 0.000 0.000 0.528 254 D N 0.752 121.184 120.400 0.053 0.000 2.182 254 D HA -0.093 4.547 4.640 -0.001 0.000 0.201 254 D C 1.700 178.026 176.300 0.043 0.000 0.986 254 D CA 0.790 54.863 54.000 0.122 0.000 0.847 254 D CB -0.351 40.617 40.800 0.280 0.000 0.942 254 D HN 0.466 8.836 8.370 0.000 0.000 0.467 255 L N 0.664 121.777 121.223 -0.184 0.000 1.994 255 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 255 L C 2.249 178.818 176.870 -0.502 0.000 1.071 255 L CA 1.387 55.767 54.840 -0.766 0.000 0.745 255 L CB -0.705 40.802 42.059 -0.920 0.000 0.892 255 L HN -0.120 8.110 8.230 0.000 0.000 0.431 256 V N 0.197 119.894 119.914 -0.361 0.000 2.343 256 V HA -0.290 3.830 4.120 -0.001 0.000 0.247 256 V C 2.829 178.746 176.094 -0.294 0.000 1.051 256 V CA 1.549 63.638 62.300 -0.352 0.000 1.036 256 V CB -1.344 30.327 31.823 -0.254 0.000 0.654 256 V HN 0.621 8.811 8.190 0.000 0.000 0.451 257 A N -0.261 122.454 122.820 -0.175 0.000 1.908 257 A HA -0.182 4.138 4.320 -0.001 0.000 0.218 257 A C 2.400 179.915 177.584 -0.115 0.000 1.181 257 A CA 2.233 54.207 52.037 -0.105 0.000 0.627 257 A CB -0.690 18.292 19.000 -0.031 0.000 0.818 257 A HN 0.346 8.496 8.150 0.000 0.000 0.445 258 V N 0.106 119.954 119.914 -0.109 0.000 2.307 258 V HA -0.253 3.867 4.120 -0.001 0.000 0.245 258 V C 2.415 178.402 176.094 -0.179 0.000 1.045 258 V CA 1.981 64.238 62.300 -0.072 0.000 1.024 258 V CB -0.647 31.196 31.823 0.034 0.000 0.651 258 V HN 0.578 8.768 8.190 0.000 0.000 0.449 259 I N 1.019 121.389 120.570 -0.333 0.000 2.264 259 I HA -0.215 3.955 4.170 -0.001 0.000 0.248 259 I C 2.310 178.088 176.117 -0.565 0.000 1.111 259 I CA 2.107 63.115 61.300 -0.487 0.000 1.382 259 I CB -0.478 37.057 38.000 -0.774 0.000 1.060 259 I HN 0.519 8.729 8.210 0.000 0.000 0.418 260 T N -1.857 112.378 114.554 -0.532 0.000 3.069 260 T HA 0.464 4.813 4.350 -0.001 0.000 0.252 260 T C 0.823 175.468 174.700 -0.092 0.000 1.053 260 T CA 0.020 61.813 62.100 -0.510 0.000 0.964 260 T CB -0.120 68.454 68.868 -0.491 0.000 1.005 260 T HN 0.190 8.430 8.240 0.000 0.000 0.532 261 A N 0.000 122.773 122.820 -0.078 0.000 2.254 261 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 261 A CA 0.000 52.042 52.037 0.008 0.000 0.836 261 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 261 A HN 0.000 8.150 8.150 0.000 0.000 0.486