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 2w3m_1_A DATA FIRST_RESID 1 DATA SEQUENCE VGSLNCIVAV SQNMGIGKNG DLPWPPLRNE FRYFQRMTTT SSVEGKQNLV DATA SEQUENCE IMGKKTWFSI PEKNRPLKGR INLVLSRELK EPPQGAHFLS RSLDDALKLT DATA SEQUENCE EQPELANKVD MVWIVGGSSV YKEAMNHPGH LKLFVTRIMQ DFESDTFFPE DATA SEQUENCE IDLEKYKLLP EYPGVLSDVQ EEKGIKYKFE VYEKND VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1 V C 0.000 176.125 176.094 0.051 0.000 1.182 1 V CA 0.000 62.315 62.300 0.024 0.000 1.235 1 V CB 0.000 31.828 31.823 0.009 0.000 1.184 2 G N 1.700 110.527 108.800 0.044 0.000 2.939 2 G HA2 0.412 4.354 3.960 -0.031 0.000 0.210 2 G HA3 0.412 4.354 3.960 -0.031 0.000 0.210 2 G C 0.406 175.366 174.900 0.099 0.000 1.160 2 G CA 0.857 45.992 45.100 0.060 0.000 0.770 2 G HN 0.858 9.148 8.290 -0.000 0.000 0.543 3 S N -1.096 114.662 115.700 0.096 0.000 2.537 3 S HA 0.691 5.143 4.470 -0.031 0.000 0.271 3 S C -1.532 173.091 174.600 0.038 0.000 1.148 3 S CA -0.703 57.585 58.200 0.146 0.000 0.868 3 S CB 1.044 64.391 63.200 0.244 0.000 1.115 3 S HN 0.075 8.385 8.310 -0.000 0.000 0.461 4 L N 3.189 124.411 121.223 -0.000 0.000 2.354 4 L HA 0.678 5.000 4.340 -0.031 0.000 0.264 4 L C -0.503 176.275 176.870 -0.154 0.000 1.008 4 L CA -1.041 53.746 54.840 -0.088 0.000 0.819 4 L CB 2.159 44.184 42.059 -0.056 0.000 1.339 4 L HN 0.602 8.832 8.230 -0.000 0.000 0.420 5 N N 0.302 118.823 118.700 -0.299 0.000 2.284 5 N HA 0.487 5.208 4.740 -0.031 0.000 0.300 5 N C -1.440 174.046 175.510 -0.039 0.000 1.047 5 N CA -0.421 52.422 53.050 -0.344 0.000 0.821 5 N CB 2.398 40.132 38.487 -1.254 0.000 1.337 5 N HN 0.441 8.821 8.380 -0.000 0.000 0.482 6 C N 1.638 121.057 119.300 0.197 0.000 2.435 6 C HA 0.653 5.095 4.460 -0.031 0.000 0.333 6 C C 0.460 175.774 174.990 0.540 0.000 1.202 6 C CA -0.694 58.564 59.018 0.400 0.000 1.830 6 C CB 0.497 28.463 27.740 0.378 0.000 2.326 6 C HN 0.687 8.917 8.230 -0.000 0.000 0.507 7 I N 2.422 123.357 120.570 0.608 0.000 2.619 7 I HA 0.815 4.966 4.170 -0.031 0.000 0.292 7 I C -1.249 175.125 176.117 0.430 0.000 1.100 7 I CA -0.201 61.423 61.300 0.540 0.000 1.043 7 I CB 1.500 39.810 38.000 0.518 0.000 1.239 7 I HN 0.507 8.717 8.210 -0.000 0.000 0.420 8 V N 6.252 126.289 119.914 0.206 0.000 3.147 8 V HA 0.872 4.974 4.120 -0.031 0.000 0.299 8 V C -1.414 174.676 176.094 -0.007 0.000 1.302 8 V CA -0.167 62.140 62.300 0.011 0.000 1.015 8 V CB 2.195 33.659 31.823 -0.599 0.000 1.086 8 V HN 0.890 9.080 8.190 -0.000 0.000 0.437 9 A N 4.320 127.157 122.820 0.029 0.000 2.342 9 A HA 0.939 5.240 4.320 -0.031 0.000 0.323 9 A C -1.348 176.254 177.584 0.029 0.000 1.125 9 A CA -0.510 51.516 52.037 -0.017 0.000 0.785 9 A CB 1.774 20.786 19.000 0.021 0.000 1.221 9 A HN 1.307 9.457 8.150 -0.000 0.000 0.463 10 V N 1.828 121.656 119.914 -0.142 0.000 2.808 10 V HA 0.534 4.636 4.120 -0.031 0.000 0.308 10 V C 0.451 176.483 176.094 -0.104 0.000 1.099 10 V CA -0.431 61.852 62.300 -0.028 0.000 0.920 10 V CB 1.751 33.514 31.823 -0.101 0.000 1.014 10 V HN 1.176 9.366 8.190 -0.000 0.000 0.425 11 S N 2.820 118.567 115.700 0.079 0.000 2.634 11 S HA 0.225 4.677 4.470 -0.031 0.000 0.261 11 S C 0.833 175.495 174.600 0.103 0.000 1.271 11 S CA -0.252 58.010 58.200 0.104 0.000 0.985 11 S CB 0.896 64.330 63.200 0.390 0.000 0.968 11 S HN 0.718 9.028 8.310 -0.000 0.000 0.568 12 Q N 1.044 120.897 119.800 0.089 0.000 2.181 12 Q HA -0.139 4.183 4.340 -0.031 0.000 0.205 12 Q C 1.231 177.294 176.000 0.105 0.000 0.980 12 Q CA 1.468 57.311 55.803 0.067 0.000 0.862 12 Q CB -0.370 28.387 28.738 0.033 0.000 0.905 12 Q HN 0.871 9.141 8.270 -0.000 0.000 0.429 13 N N -0.264 118.528 118.700 0.153 0.000 2.362 13 N HA -0.047 4.674 4.740 -0.031 0.000 0.204 13 N C 0.045 175.742 175.510 0.311 0.000 1.166 13 N CA 0.288 53.459 53.050 0.201 0.000 0.831 13 N CB 0.348 38.963 38.487 0.214 0.000 1.008 13 N HN 0.104 8.484 8.380 -0.000 0.000 0.472 14 M N -1.825 117.939 119.600 0.273 0.000 2.899 14 M HA -0.117 4.344 4.480 -0.031 0.000 0.195 14 M C 0.459 176.994 176.300 0.392 0.000 0.603 14 M CA 0.623 56.123 55.300 0.335 0.000 0.712 14 M CB -2.446 30.357 32.600 0.337 0.000 2.569 14 M HN 0.351 8.641 8.290 -0.000 0.000 0.406 15 G N 1.164 110.121 108.800 0.262 0.000 2.403 15 G HA2 0.513 4.455 3.960 -0.031 0.000 0.259 15 G HA3 0.513 4.455 3.960 -0.031 0.000 0.259 15 G C 1.051 176.011 174.900 0.100 0.000 1.244 15 G CA -0.024 45.053 45.100 -0.039 0.000 0.849 15 G HN 0.745 9.035 8.290 -0.000 0.000 0.532 16 I N -0.216 120.319 120.570 -0.058 0.000 4.456 16 I HA 0.523 4.675 4.170 -0.031 0.000 0.329 16 I C 0.679 176.671 176.117 -0.209 0.000 1.313 16 I CA -0.210 61.093 61.300 0.005 0.000 1.205 16 I CB 0.952 39.038 38.000 0.143 0.000 1.179 16 I HN 0.539 8.749 8.210 -0.000 0.000 0.419 17 G N 1.317 109.955 108.800 -0.269 0.000 2.704 17 G HA2 0.634 4.575 3.960 -0.031 0.000 0.293 17 G HA3 0.634 4.575 3.960 -0.031 0.000 0.293 17 G C -2.020 172.722 174.900 -0.264 0.000 1.421 17 G CA -0.618 44.319 45.100 -0.272 0.000 0.870 17 G HN 0.081 8.371 8.290 -0.000 0.000 0.492 18 K N 0.703 120.966 120.400 -0.228 0.000 2.588 18 K HA 0.433 4.734 4.320 -0.031 0.000 0.250 18 K C 0.108 176.637 176.600 -0.119 0.000 0.972 18 K CA -0.584 55.609 56.287 -0.156 0.000 0.821 18 K CB 0.648 33.061 32.500 -0.146 0.000 1.249 18 K HN 0.388 8.638 8.250 -0.000 0.000 0.442 19 N N 3.216 121.871 118.700 -0.075 0.000 2.727 19 N HA -0.206 4.515 4.740 -0.031 0.000 0.249 19 N C 0.430 175.902 175.510 -0.063 0.000 1.048 19 N CA 1.819 54.836 53.050 -0.056 0.000 0.714 19 N CB -1.274 37.184 38.487 -0.049 0.000 0.959 19 N HN 1.190 9.570 8.380 -0.000 0.000 0.544 20 G N -1.583 107.179 108.800 -0.064 0.000 2.148 20 G HA2 -0.314 3.627 3.960 -0.031 0.000 0.254 20 G HA3 -0.314 3.627 3.960 -0.031 0.000 0.254 20 G C -0.193 174.658 174.900 -0.081 0.000 0.981 20 G CA 0.758 45.826 45.100 -0.053 0.000 0.670 20 G HN 0.708 8.998 8.290 -0.000 0.000 0.528 21 D N -1.340 118.984 120.400 -0.126 0.000 2.798 21 D HA 0.602 5.224 4.640 -0.031 0.000 0.308 21 D C 0.481 176.614 176.300 -0.278 0.000 1.187 21 D CA -0.707 53.192 54.000 -0.169 0.000 1.033 21 D CB 0.712 41.423 40.800 -0.150 0.000 1.445 21 D HN 0.106 8.476 8.370 -0.000 0.000 0.550 22 L N 1.195 122.182 121.223 -0.393 0.000 2.418 22 L HA 0.297 4.619 4.340 -0.031 0.000 0.265 22 L C -1.344 175.030 176.870 -0.827 0.000 1.143 22 L CA -1.415 52.971 54.840 -0.757 0.000 0.809 22 L CB 0.808 42.267 42.059 -1.001 0.000 1.124 22 L HN 0.324 8.554 8.230 -0.000 0.000 0.456 23 P HA -0.050 4.370 4.420 -0.000 0.000 0.225 23 P C -0.884 176.072 177.300 -0.574 0.000 1.156 23 P CA 0.652 63.381 63.100 -0.618 0.000 0.787 23 P CB 0.120 31.611 31.700 -0.349 0.000 0.802 24 W N -1.076 119.840 121.300 -0.640 0.000 2.655 24 W HA 0.687 5.327 4.660 -0.032 0.000 0.358 24 W C -2.724 173.549 176.519 -0.409 0.000 1.100 24 W CA -3.081 53.718 57.345 -0.911 0.000 1.195 24 W CB -1.296 27.384 29.460 -1.301 0.000 1.403 24 W HN -0.352 7.828 8.180 -0.000 0.000 0.589 25 P HA 0.165 4.585 4.420 -0.000 0.000 0.270 25 P C -2.307 175.019 177.300 0.044 0.000 1.223 25 P CA -0.915 62.186 63.100 0.003 0.000 0.785 25 P CB -0.207 31.526 31.700 0.055 0.000 0.923 26 P HA 0.121 4.541 4.420 -0.000 0.000 0.267 26 P C -0.779 176.548 177.300 0.045 0.000 1.205 26 P CA 0.524 63.682 63.100 0.096 0.000 0.765 26 P CB 0.216 32.050 31.700 0.224 0.000 0.828 27 L N 4.010 125.167 121.223 -0.109 0.000 2.283 27 L HA 0.281 4.603 4.340 -0.031 0.000 0.281 27 L C 1.623 178.477 176.870 -0.027 0.000 1.033 27 L CA -0.694 54.087 54.840 -0.097 0.000 0.848 27 L CB 1.258 43.162 42.059 -0.259 0.000 1.226 27 L HN 0.177 8.407 8.230 -0.000 0.000 0.429 28 R N 0.613 121.184 120.500 0.119 0.000 2.066 28 R HA -0.086 4.235 4.340 -0.031 0.000 0.232 28 R C 1.687 178.118 176.300 0.219 0.000 1.131 28 R CA 1.389 57.617 56.100 0.215 0.000 0.955 28 R CB -0.708 29.690 30.300 0.164 0.000 0.851 28 R HN 0.679 8.949 8.270 -0.000 0.000 0.432 29 N N 0.473 119.286 118.700 0.189 0.000 2.244 29 N HA -0.086 4.636 4.740 -0.031 0.000 0.183 29 N C 1.739 177.427 175.510 0.297 0.000 1.016 29 N CA 0.841 54.034 53.050 0.237 0.000 0.866 29 N CB -0.328 38.304 38.487 0.242 0.000 0.980 29 N HN 0.350 8.730 8.380 -0.000 0.000 0.430 30 E N 0.330 120.640 120.200 0.185 0.000 2.077 30 E HA -0.100 4.232 4.350 -0.031 0.000 0.193 30 E C 1.524 178.255 176.600 0.218 0.000 0.989 30 E CA 0.714 57.174 56.400 0.101 0.000 0.800 30 E CB -0.156 29.281 29.700 -0.437 0.000 0.746 30 E HN 0.188 8.548 8.360 -0.000 0.000 0.452 31 F N 1.207 121.247 119.950 0.151 0.000 2.126 31 F HA -0.116 4.392 4.527 -0.031 0.000 0.299 31 F C 2.620 178.537 175.800 0.196 0.000 1.096 31 F CA 1.149 59.237 58.000 0.147 0.000 1.255 31 F CB -0.478 38.561 39.000 0.065 0.000 0.997 31 F HN -0.007 8.293 8.300 -0.000 0.000 0.479 32 R N -1.518 119.200 120.500 0.363 0.000 2.120 32 R HA -0.228 4.094 4.340 -0.031 0.000 0.234 32 R C 2.126 178.543 176.300 0.195 0.000 1.123 32 R CA 1.563 57.801 56.100 0.231 0.000 0.975 32 R CB -0.806 29.604 30.300 0.183 0.000 0.866 32 R HN 0.356 8.626 8.270 -0.000 0.000 0.446 33 Y N 0.553 120.925 120.300 0.120 0.000 2.163 33 Y HA -0.269 4.262 4.550 -0.032 0.000 0.288 33 Y C 2.020 177.895 175.900 -0.042 0.000 1.136 33 Y CA 1.525 59.621 58.100 -0.007 0.000 1.147 33 Y CB -0.462 37.978 38.460 -0.033 0.000 0.987 33 Y HN 0.008 8.288 8.280 -0.000 0.000 0.509 34 F N 1.231 121.192 119.950 0.018 0.000 2.095 34 F HA -0.292 4.217 4.527 -0.031 0.000 0.298 34 F C 2.585 178.232 175.800 -0.256 0.000 1.104 34 F CA 2.423 60.344 58.000 -0.130 0.000 1.232 34 F CB -0.739 38.319 39.000 0.095 0.000 0.987 34 F HN 0.230 8.530 8.300 -0.000 0.000 0.475 35 Q N 0.345 120.121 119.800 -0.040 0.000 2.084 35 Q HA -0.254 4.067 4.340 -0.031 0.000 0.202 35 Q C 2.562 178.359 176.000 -0.338 0.000 0.978 35 Q CA 1.769 57.465 55.803 -0.178 0.000 0.844 35 Q CB -0.323 28.422 28.738 0.012 0.000 0.898 35 Q HN 0.497 8.767 8.270 -0.000 0.000 0.426 36 R N -0.500 119.823 120.500 -0.296 0.000 2.070 36 R HA -0.149 4.173 4.340 -0.031 0.000 0.233 36 R C 2.325 178.320 176.300 -0.509 0.000 1.137 36 R CA 1.758 57.665 56.100 -0.322 0.000 0.945 36 R CB -0.112 30.047 30.300 -0.236 0.000 0.845 36 R HN 0.307 8.577 8.270 -0.000 0.000 0.430 37 M N 0.427 119.558 119.600 -0.782 0.000 2.080 37 M HA -0.145 4.317 4.480 -0.031 0.000 0.260 37 M C 2.447 177.938 176.300 -1.347 0.000 1.068 37 M CA 2.442 57.116 55.300 -1.043 0.000 1.109 37 M CB -1.284 30.462 32.600 -1.422 0.000 1.342 37 M HN 0.366 8.656 8.290 -0.000 0.000 0.405 38 T N -3.393 110.257 114.554 -1.505 0.000 2.951 38 T HA -0.030 4.301 4.350 -0.031 0.000 0.268 38 T C 1.638 175.889 174.700 -0.750 0.000 1.073 38 T CA 1.653 62.816 62.100 -1.563 0.000 1.134 38 T CB -0.533 67.514 68.868 -1.368 0.000 0.884 38 T HN 0.300 8.540 8.240 -0.000 0.000 0.479 39 T N 1.539 115.785 114.554 -0.513 0.000 3.031 39 T HA 0.113 4.444 4.350 -0.031 0.000 0.254 39 T C 0.841 175.443 174.700 -0.164 0.000 1.060 39 T CA 0.436 62.380 62.100 -0.261 0.000 1.135 39 T CB -0.277 68.473 68.868 -0.196 0.000 0.896 39 T HN 0.388 8.628 8.240 -0.000 0.000 0.472 40 T N 3.111 117.557 114.554 -0.181 0.000 2.817 40 T HA 0.326 4.658 4.350 -0.031 0.000 0.295 40 T C -0.109 174.574 174.700 -0.027 0.000 0.958 40 T CA 0.078 62.122 62.100 -0.094 0.000 1.157 40 T CB 0.364 69.171 68.868 -0.101 0.000 0.898 40 T HN 0.162 8.402 8.240 -0.000 0.000 0.536 41 S N 1.851 117.544 115.700 -0.011 0.000 2.672 41 S HA 0.383 4.835 4.470 -0.031 0.000 0.291 41 S C 0.886 175.490 174.600 0.007 0.000 1.145 41 S CA -0.778 57.431 58.200 0.015 0.000 1.013 41 S CB 1.021 64.235 63.200 0.023 0.000 1.017 41 S HN 0.659 8.969 8.310 -0.000 0.000 0.487 42 S N 3.037 118.745 115.700 0.012 0.000 2.631 42 S HA 0.194 4.645 4.470 -0.031 0.000 0.217 42 S C 0.252 174.857 174.600 0.008 0.000 0.958 42 S CA -0.250 57.955 58.200 0.008 0.000 0.920 42 S CB -0.190 63.015 63.200 0.009 0.000 0.776 42 S HN 0.511 8.821 8.310 -0.000 0.000 0.517 43 V N 2.791 122.712 119.914 0.011 0.000 2.353 43 V HA 0.270 4.371 4.120 -0.031 0.000 0.264 43 V C 0.424 176.521 176.094 0.005 0.000 1.049 43 V CA -0.688 61.617 62.300 0.009 0.000 0.896 43 V CB 0.513 32.343 31.823 0.012 0.000 1.025 43 V HN 0.516 8.706 8.190 -0.000 0.000 0.475 44 E N 3.723 123.925 120.200 0.003 0.000 2.465 44 E HA 0.302 4.633 4.350 -0.031 0.000 0.260 44 E C 1.315 177.915 176.600 0.001 0.000 0.980 44 E CA 1.028 57.429 56.400 0.001 0.000 0.927 44 E CB 0.389 30.090 29.700 0.001 0.000 0.934 44 E HN 0.971 9.331 8.360 -0.000 0.000 0.459 45 G N 3.758 112.558 108.800 -0.000 0.000 2.195 45 G HA2 -0.262 3.679 3.960 -0.031 0.000 0.246 45 G HA3 -0.262 3.679 3.960 -0.031 0.000 0.246 45 G C -0.059 174.840 174.900 -0.001 0.000 0.984 45 G CA 0.403 45.503 45.100 -0.001 0.000 0.633 45 G HN 0.510 8.800 8.290 -0.000 0.000 0.525 46 K N -0.127 120.273 120.400 0.001 0.000 2.295 46 K HA 0.727 5.029 4.320 -0.031 0.000 0.239 46 K C -0.209 176.394 176.600 0.004 0.000 0.991 46 K CA -0.718 55.571 56.287 0.002 0.000 0.845 46 K CB 1.789 34.292 32.500 0.005 0.000 1.197 46 K HN 0.226 8.476 8.250 -0.000 0.000 0.441 47 Q N 0.665 120.468 119.800 0.006 0.000 2.433 47 Q HA 0.329 4.650 4.340 -0.031 0.000 0.279 47 Q C -0.981 175.038 176.000 0.030 0.000 1.105 47 Q CA -1.134 54.675 55.803 0.011 0.000 0.815 47 Q CB 1.913 30.651 28.738 0.000 0.000 1.403 47 Q HN 0.439 8.709 8.270 -0.000 0.000 0.435 48 N N 0.905 119.633 118.700 0.048 0.000 2.503 48 N HA 0.282 5.004 4.740 -0.031 0.000 0.267 48 N C -1.019 174.550 175.510 0.098 0.000 1.214 48 N CA -0.278 52.833 53.050 0.102 0.000 0.959 48 N CB 0.545 39.130 38.487 0.165 0.000 1.142 48 N HN 0.346 8.726 8.380 -0.000 0.000 0.455 49 L N 1.469 122.768 121.223 0.126 0.000 2.307 49 L HA 0.453 4.774 4.340 -0.031 0.000 0.284 49 L C -0.690 176.285 176.870 0.175 0.000 1.023 49 L CA -0.847 54.065 54.840 0.119 0.000 0.810 49 L CB 1.249 43.345 42.059 0.063 0.000 1.231 49 L HN 0.352 8.582 8.230 -0.000 0.000 0.423 50 V N 3.633 123.648 119.914 0.168 0.000 2.398 50 V HA 0.620 4.721 4.120 -0.031 0.000 0.286 50 V C -0.123 176.068 176.094 0.162 0.000 1.026 50 V CA -0.561 61.852 62.300 0.189 0.000 0.868 50 V CB 1.208 33.137 31.823 0.176 0.000 0.982 50 V HN 0.669 8.859 8.190 -0.000 0.000 0.443 51 I N 6.864 127.522 120.570 0.145 0.000 2.378 51 I HA 0.679 4.830 4.170 -0.031 0.000 0.291 51 I C 0.008 176.176 176.117 0.086 0.000 0.992 51 I CA -0.481 60.874 61.300 0.093 0.000 1.154 51 I CB 1.775 39.806 38.000 0.052 0.000 1.315 51 I HN 0.887 9.097 8.210 -0.000 0.000 0.448 52 M N 4.246 123.885 119.600 0.065 0.000 2.569 52 M HA 0.706 5.167 4.480 -0.031 0.000 0.279 52 M C -0.485 175.829 176.300 0.024 0.000 1.253 52 M CA -0.689 54.639 55.300 0.048 0.000 0.867 52 M CB 1.889 34.555 32.600 0.110 0.000 1.727 52 M HN 0.479 8.769 8.290 -0.000 0.000 0.467 53 G N 1.093 109.898 108.800 0.008 0.000 2.634 53 G HA2 0.204 4.145 3.960 -0.031 0.000 0.255 53 G HA3 0.204 4.145 3.960 -0.031 0.000 0.255 53 G C 0.155 175.093 174.900 0.063 0.000 1.205 53 G CA -0.391 44.722 45.100 0.022 0.000 0.884 53 G HN 1.022 9.312 8.290 -0.000 0.000 0.549 54 K N -0.087 120.358 120.400 0.075 0.000 2.057 54 K HA -0.068 4.233 4.320 -0.031 0.000 0.206 54 K C 2.352 179.101 176.600 0.248 0.000 1.050 54 K CA 1.300 57.668 56.287 0.135 0.000 0.935 54 K CB -0.140 32.456 32.500 0.160 0.000 0.715 54 K HN 0.474 8.724 8.250 -0.000 0.000 0.439 55 K N -0.344 120.174 120.400 0.195 0.000 2.097 55 K HA -0.083 4.218 4.320 -0.031 0.000 0.206 55 K C 2.074 178.760 176.600 0.143 0.000 1.049 55 K CA 1.754 58.157 56.287 0.193 0.000 0.933 55 K CB -0.115 32.452 32.500 0.112 0.000 0.717 55 K HN 0.150 8.400 8.250 -0.000 0.000 0.442 56 T N 0.934 115.545 114.554 0.096 0.000 2.746 56 T HA -0.193 4.139 4.350 -0.031 0.000 0.267 56 T C 1.214 175.946 174.700 0.054 0.000 1.039 56 T CA 1.076 63.209 62.100 0.055 0.000 1.142 56 T CB -0.263 68.627 68.868 0.037 0.000 0.866 56 T HN 0.464 8.704 8.240 -0.000 0.000 0.444 57 W N 1.269 122.498 121.300 -0.118 0.000 2.333 57 W HA -0.191 4.450 4.660 -0.031 0.000 0.316 57 W C 1.362 177.713 176.519 -0.279 0.000 1.215 57 W CA 1.006 58.200 57.345 -0.253 0.000 1.278 57 W CB -0.626 28.583 29.460 -0.419 0.000 1.154 57 W HN 0.250 8.430 8.180 -0.000 0.000 0.486 58 F N 1.730 121.690 119.950 0.017 0.000 2.604 58 F HA -0.147 4.361 4.527 -0.030 0.000 0.298 58 F C 2.882 178.590 175.800 -0.154 0.000 1.131 58 F CA 1.637 59.575 58.000 -0.103 0.000 1.457 58 F CB -1.010 38.013 39.000 0.039 0.000 1.095 58 F HN -0.100 8.200 8.300 -0.000 0.000 0.574 59 S N -0.309 115.388 115.700 -0.006 0.000 2.527 59 S HA 0.044 4.496 4.470 -0.031 0.000 0.222 59 S C 0.724 175.234 174.600 -0.151 0.000 0.985 59 S CA -0.030 58.133 58.200 -0.063 0.000 0.921 59 S CB -0.823 62.348 63.200 -0.049 0.000 0.772 59 S HN 0.190 8.500 8.310 -0.000 0.000 0.529 60 I N 3.103 123.524 120.570 -0.249 0.000 2.496 60 I HA 0.280 4.431 4.170 -0.031 0.000 0.285 60 I C -2.345 173.592 176.117 -0.300 0.000 1.080 60 I CA -2.495 58.618 61.300 -0.311 0.000 1.404 60 I CB 0.487 38.235 38.000 -0.420 0.000 1.403 60 I HN 0.016 8.226 8.210 -0.000 0.000 0.539 61 P HA -0.057 4.363 4.420 -0.000 0.000 0.264 61 P C 0.596 177.764 177.300 -0.221 0.000 1.183 61 P CA 0.167 63.146 63.100 -0.201 0.000 0.763 61 P CB 0.559 32.149 31.700 -0.184 0.000 0.807 62 E N 2.867 122.963 120.200 -0.173 0.000 2.130 62 E HA -0.286 4.045 4.350 -0.031 0.000 0.196 62 E C 1.648 178.163 176.600 -0.142 0.000 0.998 62 E CA 1.755 58.058 56.400 -0.161 0.000 0.806 62 E CB 0.103 29.753 29.700 -0.082 0.000 0.738 62 E HN 0.282 8.642 8.360 -0.000 0.000 0.459 63 K N -0.266 120.064 120.400 -0.116 0.000 2.442 63 K HA 0.003 4.304 4.320 -0.031 0.000 0.198 63 K C 1.035 177.570 176.600 -0.109 0.000 1.042 63 K CA 1.265 57.496 56.287 -0.094 0.000 0.958 63 K CB -0.439 32.016 32.500 -0.076 0.000 0.766 63 K HN 0.185 8.435 8.250 -0.000 0.000 0.474 64 N N 0.424 119.032 118.700 -0.154 0.000 2.236 64 N HA 0.181 4.902 4.740 -0.031 0.000 0.196 64 N C -0.340 175.058 175.510 -0.187 0.000 1.114 64 N CA -0.068 52.888 53.050 -0.157 0.000 0.859 64 N CB 0.308 38.684 38.487 -0.185 0.000 0.982 64 N HN 0.411 8.791 8.380 -0.000 0.000 0.493 65 R N 1.307 121.661 120.500 -0.243 0.000 2.407 65 R HA 0.388 4.709 4.340 -0.031 0.000 0.303 65 R C -2.179 174.064 176.300 -0.096 0.000 0.981 65 R CA -1.444 54.470 56.100 -0.311 0.000 0.905 65 R CB 0.764 30.656 30.300 -0.680 0.000 1.099 65 R HN 0.044 8.314 8.270 -0.000 0.000 0.459 66 P HA 0.059 4.479 4.420 -0.000 0.000 0.274 66 P C -0.268 177.058 177.300 0.044 0.000 1.237 66 P CA -0.360 62.797 63.100 0.095 0.000 0.793 66 P CB 0.703 32.450 31.700 0.077 0.000 0.977 67 L N 1.591 122.857 121.223 0.072 0.000 2.615 67 L HA -0.019 4.303 4.340 -0.031 0.000 0.271 67 L C 1.486 178.402 176.870 0.075 0.000 1.183 67 L CA -0.009 54.864 54.840 0.055 0.000 0.933 67 L CB -0.561 41.556 42.059 0.097 0.000 1.199 67 L HN 0.457 8.687 8.230 -0.000 0.000 0.487 68 K N 2.435 122.856 120.400 0.036 0.000 2.485 68 K HA 0.233 4.534 4.320 -0.031 0.000 0.277 68 K C 1.012 177.626 176.600 0.024 0.000 0.990 68 K CA 0.160 56.469 56.287 0.036 0.000 0.994 68 K CB 0.343 32.848 32.500 0.009 0.000 0.906 68 K HN 0.750 9.000 8.250 -0.000 0.000 0.488 69 G N 1.661 110.478 108.800 0.029 0.000 2.168 69 G HA2 -0.323 3.619 3.960 -0.031 0.000 0.263 69 G HA3 -0.323 3.619 3.960 -0.031 0.000 0.263 69 G C -0.260 174.643 174.900 0.005 0.000 0.977 69 G CA 0.595 45.697 45.100 0.005 0.000 0.659 69 G HN 0.683 8.973 8.290 -0.000 0.000 0.533 70 R N -0.972 119.552 120.500 0.040 0.000 2.744 70 R HA 0.667 4.989 4.340 -0.031 0.000 0.279 70 R C -0.010 176.358 176.300 0.114 0.000 0.977 70 R CA -1.015 55.118 56.100 0.055 0.000 0.906 70 R CB 1.517 31.842 30.300 0.042 0.000 1.197 70 R HN 0.172 8.442 8.270 -0.000 0.000 0.463 71 I N 2.058 122.686 120.570 0.097 0.000 2.396 71 I HA 0.115 4.267 4.170 -0.031 0.000 0.289 71 I C -0.060 176.246 176.117 0.314 0.000 1.056 71 I CA 0.093 61.480 61.300 0.145 0.000 1.365 71 I CB 0.545 38.604 38.000 0.098 0.000 1.407 71 I HN 0.353 8.563 8.210 -0.000 0.000 0.509 72 N N 7.959 127.002 118.700 0.573 0.000 2.437 72 N HA 0.425 5.146 4.740 -0.031 0.000 0.259 72 N C -1.092 174.548 175.510 0.216 0.000 0.983 72 N CA -0.516 52.734 53.050 0.335 0.000 0.937 72 N CB 2.266 40.920 38.487 0.279 0.000 1.122 72 N HN 0.429 8.809 8.380 -0.000 0.000 0.499 73 L N 3.372 124.685 121.223 0.150 0.000 2.333 73 L HA 0.514 4.835 4.340 -0.031 0.000 0.280 73 L C -1.089 175.777 176.870 -0.008 0.000 1.004 73 L CA -0.712 54.183 54.840 0.093 0.000 0.820 73 L CB 1.460 43.586 42.059 0.110 0.000 1.247 73 L HN 0.133 8.363 8.230 -0.000 0.000 0.416 74 V N 5.672 125.518 119.914 -0.113 0.000 2.547 74 V HA 0.416 4.518 4.120 -0.031 0.000 0.299 74 V C 0.074 176.119 176.094 -0.082 0.000 1.040 74 V CA -0.624 61.590 62.300 -0.144 0.000 0.913 74 V CB 1.811 33.422 31.823 -0.354 0.000 0.992 74 V HN 0.603 8.793 8.190 -0.000 0.000 0.449 75 L N 3.658 124.854 121.223 -0.045 0.000 2.289 75 L HA 0.728 5.050 4.340 -0.031 0.000 0.285 75 L C 0.113 176.971 176.870 -0.020 0.000 1.049 75 L CA 0.184 55.009 54.840 -0.025 0.000 0.804 75 L CB 1.560 43.612 42.059 -0.011 0.000 1.195 75 L HN 0.755 8.985 8.230 -0.000 0.000 0.428 76 S N 2.093 117.784 115.700 -0.015 0.000 2.542 76 S HA 0.382 4.834 4.470 -0.031 0.000 0.276 76 S C 0.093 174.694 174.600 0.002 0.000 1.148 76 S CA -0.766 57.433 58.200 -0.001 0.000 0.886 76 S CB 1.613 64.811 63.200 -0.004 0.000 1.109 76 S HN 0.711 9.021 8.310 -0.000 0.000 0.458 77 R N 1.319 121.825 120.500 0.010 0.000 2.276 77 R HA 0.152 4.474 4.340 -0.031 0.000 0.196 77 R C 1.157 177.463 176.300 0.010 0.000 0.961 77 R CA 0.583 56.689 56.100 0.010 0.000 1.024 77 R CB 0.180 30.487 30.300 0.012 0.000 0.940 77 R HN 0.595 8.865 8.270 -0.000 0.000 0.480 78 E N 0.139 120.347 120.200 0.012 0.000 2.290 78 E HA 0.182 4.514 4.350 -0.031 0.000 0.199 78 E C 0.561 177.168 176.600 0.010 0.000 0.912 78 E CA 0.006 56.414 56.400 0.013 0.000 0.924 78 E CB 0.291 30.003 29.700 0.020 0.000 0.901 78 E HN 0.184 8.544 8.360 -0.000 0.000 0.487 79 L N 0.961 122.189 121.223 0.008 0.000 2.439 79 L HA 0.340 4.661 4.340 -0.031 0.000 0.269 79 L C 2.110 178.976 176.870 -0.007 0.000 1.179 79 L CA 0.427 55.268 54.840 0.002 0.000 0.828 79 L CB 0.548 42.602 42.059 -0.009 0.000 1.106 79 L HN 0.210 8.440 8.230 -0.000 0.000 0.467 80 K N 2.809 123.204 120.400 -0.007 0.000 2.186 80 K HA 0.034 4.335 4.320 -0.031 0.000 0.202 80 K C 0.577 177.165 176.600 -0.019 0.000 1.052 80 K CA 1.209 57.490 56.287 -0.009 0.000 0.965 80 K CB -0.225 32.271 32.500 -0.006 0.000 0.746 80 K HN 0.848 9.098 8.250 -0.000 0.000 0.457 81 E N -1.074 119.107 120.200 -0.032 0.000 2.445 81 E HA 0.442 4.774 4.350 -0.031 0.000 0.279 81 E C -3.100 173.445 176.600 -0.091 0.000 1.018 81 E CA -2.448 53.920 56.400 -0.053 0.000 0.816 81 E CB 1.641 31.313 29.700 -0.048 0.000 1.356 81 E HN -0.082 8.278 8.360 -0.000 0.000 0.462 82 P HA 0.171 4.591 4.420 -0.000 0.000 0.269 82 P C -2.421 174.727 177.300 -0.252 0.000 1.215 82 P CA -0.786 62.172 63.100 -0.237 0.000 0.780 82 P CB -0.416 31.113 31.700 -0.285 0.000 0.898 83 P HA 0.017 4.437 4.420 -0.000 0.000 0.268 83 P C -0.353 176.839 177.300 -0.179 0.000 1.208 83 P CA -0.072 62.872 63.100 -0.260 0.000 0.777 83 P CB 0.190 31.567 31.700 -0.539 0.000 0.875 84 Q N 1.238 121.066 119.800 0.046 0.000 2.264 84 Q HA 0.252 4.574 4.340 -0.031 0.000 0.296 84 Q C 1.269 177.358 176.000 0.149 0.000 1.103 84 Q CA 1.936 57.782 55.803 0.072 0.000 0.967 84 Q CB -1.010 27.799 28.738 0.117 0.000 1.090 84 Q HN 0.811 9.081 8.270 -0.000 0.000 0.379 85 G N 2.251 111.070 108.800 0.032 0.000 2.254 85 G HA2 -0.204 3.738 3.960 -0.031 0.000 0.225 85 G HA3 -0.204 3.738 3.960 -0.031 0.000 0.225 85 G C 0.202 175.035 174.900 -0.113 0.000 1.003 85 G CA -0.049 45.086 45.100 0.059 0.000 0.622 85 G HN 1.121 9.411 8.290 -0.000 0.000 0.507 86 A N -0.361 122.236 122.820 -0.372 0.000 2.351 86 A HA 0.704 5.006 4.320 -0.031 0.000 0.257 86 A C 0.784 178.033 177.584 -0.560 0.000 1.087 86 A CA 0.936 52.553 52.037 -0.701 0.000 0.798 86 A CB 0.282 18.586 19.000 -1.160 0.000 1.033 86 A HN 0.559 8.709 8.150 -0.000 0.000 0.488 87 H N -0.140 118.779 119.070 -0.252 0.000 2.431 87 H HA 0.303 4.840 4.556 -0.031 0.000 0.295 87 H C -0.694 174.141 175.328 -0.822 0.000 1.038 87 H CA 1.199 56.986 56.048 -0.436 0.000 1.360 87 H CB 0.224 29.844 29.762 -0.238 0.000 1.433 87 H HN 0.556 8.836 8.280 -0.000 0.000 0.536 88 F N -0.316 119.618 119.950 -0.026 0.000 2.645 88 F HA 0.390 4.900 4.527 -0.028 0.000 0.310 88 F C -1.303 174.428 175.800 -0.116 0.000 1.102 88 F CA -1.280 56.690 58.000 -0.050 0.000 0.952 88 F CB 2.275 41.270 39.000 -0.009 0.000 1.326 88 F HN -0.202 8.098 8.300 -0.000 0.000 0.456 89 L N 1.122 122.415 121.223 0.116 0.000 2.464 89 L HA 0.860 5.181 4.340 -0.031 0.000 0.266 89 L C -1.285 175.605 176.870 0.033 0.000 0.965 89 L CA -0.023 54.820 54.840 0.005 0.000 0.833 89 L CB 2.130 44.160 42.059 -0.049 0.000 1.296 89 L HN 0.486 8.716 8.230 -0.000 0.000 0.405 90 S N 2.026 117.730 115.700 0.007 0.000 2.569 90 S HA 0.502 4.954 4.470 -0.031 0.000 0.280 90 S C 0.577 175.175 174.600 -0.003 0.000 1.111 90 S CA -0.805 57.398 58.200 0.005 0.000 0.887 90 S CB 2.212 65.411 63.200 -0.001 0.000 1.095 90 S HN 0.550 8.860 8.310 -0.000 0.000 0.476 91 R N 0.565 121.065 120.500 0.001 0.000 2.275 91 R HA 0.315 4.636 4.340 -0.031 0.000 0.199 91 R C 0.762 177.065 176.300 0.004 0.000 0.989 91 R CA 0.545 56.647 56.100 0.002 0.000 1.016 91 R CB -0.724 29.579 30.300 0.005 0.000 0.918 91 R HN 0.855 9.125 8.270 -0.000 0.000 0.473 92 S N -2.190 113.511 115.700 0.002 0.000 2.611 92 S HA 0.335 4.786 4.470 -0.031 0.000 0.268 92 S C 0.301 174.899 174.600 -0.004 0.000 1.156 92 S CA -0.762 57.441 58.200 0.004 0.000 0.817 92 S CB 0.939 64.145 63.200 0.011 0.000 1.122 92 S HN 0.006 8.316 8.310 -0.000 0.000 0.466 93 L N 1.325 122.545 121.223 -0.005 0.000 2.017 93 L HA 0.035 4.357 4.340 -0.031 0.000 0.208 93 L C 1.864 178.715 176.870 -0.032 0.000 1.073 93 L CA 2.291 57.114 54.840 -0.028 0.000 0.745 93 L CB -1.172 40.863 42.059 -0.040 0.000 0.894 93 L HN 0.843 9.073 8.230 -0.000 0.000 0.432 94 D N -0.013 120.390 120.400 0.005 0.000 2.126 94 D HA -0.227 4.394 4.640 -0.031 0.000 0.190 94 D C 1.808 178.112 176.300 0.006 0.000 1.001 94 D CA 1.782 55.800 54.000 0.029 0.000 0.841 94 D CB -0.250 40.579 40.800 0.049 0.000 0.949 94 D HN 0.431 8.801 8.370 -0.000 0.000 0.446 95 D N 0.123 120.523 120.400 -0.000 0.000 2.117 95 D HA -0.079 4.543 4.640 -0.031 0.000 0.197 95 D C 2.021 178.305 176.300 -0.026 0.000 0.987 95 D CA 1.264 55.259 54.000 -0.008 0.000 0.829 95 D CB -0.376 40.422 40.800 -0.003 0.000 0.961 95 D HN 0.158 8.528 8.370 -0.000 0.000 0.460 96 A N 0.705 123.506 122.820 -0.031 0.000 1.883 96 A HA -0.154 4.147 4.320 -0.031 0.000 0.217 96 A C 2.377 179.920 177.584 -0.068 0.000 1.186 96 A CA 1.120 53.127 52.037 -0.050 0.000 0.624 96 A CB -0.835 18.140 19.000 -0.040 0.000 0.822 96 A HN 0.240 8.390 8.150 -0.000 0.000 0.444 97 L N -0.830 120.358 121.223 -0.058 0.000 2.093 97 L HA -0.156 4.165 4.340 -0.031 0.000 0.208 97 L C 3.153 179.996 176.870 -0.044 0.000 1.085 97 L CA 1.531 56.338 54.840 -0.055 0.000 0.755 97 L CB -0.739 41.289 42.059 -0.052 0.000 0.904 97 L HN 0.517 8.747 8.230 -0.000 0.000 0.435 98 K N 0.746 121.127 120.400 -0.033 0.000 2.097 98 K HA -0.092 4.209 4.320 -0.031 0.000 0.206 98 K C 1.882 178.450 176.600 -0.053 0.000 1.049 98 K CA 1.349 57.619 56.287 -0.029 0.000 0.933 98 K CB -1.087 31.404 32.500 -0.014 0.000 0.717 98 K HN 0.278 8.528 8.250 -0.000 0.000 0.442 99 L N 1.640 122.815 121.223 -0.079 0.000 2.079 99 L HA -0.203 4.119 4.340 -0.031 0.000 0.210 99 L C 3.126 179.901 176.870 -0.158 0.000 1.081 99 L CA 2.172 56.936 54.840 -0.127 0.000 0.752 99 L CB -0.967 40.979 42.059 -0.188 0.000 0.896 99 L HN 0.706 8.936 8.230 -0.000 0.000 0.433 100 T N -2.363 112.106 114.554 -0.142 0.000 2.897 100 T HA -0.227 4.105 4.350 -0.031 0.000 0.271 100 T C 1.335 175.980 174.700 -0.091 0.000 1.084 100 T CA 1.410 63.430 62.100 -0.134 0.000 1.123 100 T CB -0.347 68.463 68.868 -0.095 0.000 0.865 100 T HN 0.672 8.912 8.240 -0.000 0.000 0.496 101 E N 0.103 120.262 120.200 -0.068 0.000 2.476 101 E HA 0.118 4.450 4.350 -0.031 0.000 0.196 101 E C 0.115 176.691 176.600 -0.040 0.000 1.029 101 E CA -0.553 55.821 56.400 -0.045 0.000 0.896 101 E CB 0.113 29.796 29.700 -0.028 0.000 1.012 101 E HN 0.368 8.728 8.360 -0.000 0.000 0.475 102 Q N 1.176 120.944 119.800 -0.053 0.000 2.382 102 Q HA 0.171 4.493 4.340 -0.031 0.000 0.229 102 Q C -1.681 174.300 176.000 -0.032 0.000 1.006 102 Q CA -2.400 53.380 55.803 -0.038 0.000 0.916 102 Q CB 0.404 29.119 28.738 -0.039 0.000 1.235 102 Q HN -0.067 8.203 8.270 -0.000 0.000 0.512 103 P HA -0.222 4.198 4.420 -0.000 0.000 0.215 103 P C 1.061 178.360 177.300 -0.002 0.000 1.157 103 P CA 1.620 64.717 63.100 -0.005 0.000 0.874 103 P CB 0.257 31.959 31.700 0.004 0.000 0.790 104 E N -0.616 119.589 120.200 0.009 0.000 2.130 104 E HA -0.174 4.158 4.350 -0.031 0.000 0.196 104 E C 1.513 178.119 176.600 0.010 0.000 0.998 104 E CA 1.080 57.503 56.400 0.038 0.000 0.806 104 E CB -0.409 29.355 29.700 0.107 0.000 0.738 104 E HN 0.196 8.556 8.360 -0.000 0.000 0.459 105 L N -0.759 120.430 121.223 -0.057 0.000 2.731 105 L HA 0.298 4.620 4.340 -0.031 0.000 0.240 105 L C 2.147 178.981 176.870 -0.061 0.000 1.120 105 L CA 0.262 55.048 54.840 -0.091 0.000 0.913 105 L CB 0.201 42.130 42.059 -0.217 0.000 1.213 105 L HN 0.143 8.373 8.230 -0.000 0.000 0.515 106 A N 0.830 123.624 122.820 -0.043 0.000 1.903 106 A HA -0.229 4.072 4.320 -0.031 0.000 0.219 106 A C 1.664 179.234 177.584 -0.023 0.000 1.191 106 A CA 1.899 53.916 52.037 -0.032 0.000 0.638 106 A CB -0.439 18.548 19.000 -0.021 0.000 0.823 106 A HN 0.476 8.626 8.150 -0.000 0.000 0.451 107 N N -1.357 117.334 118.700 -0.016 0.000 2.295 107 N HA 0.057 4.778 4.740 -0.031 0.000 0.221 107 N C 0.426 175.930 175.510 -0.010 0.000 1.129 107 N CA 0.203 53.247 53.050 -0.010 0.000 0.836 107 N CB 0.644 39.127 38.487 -0.005 0.000 1.040 107 N HN 0.412 8.792 8.380 -0.000 0.000 0.494 108 K N -0.716 119.674 120.400 -0.016 0.000 2.511 108 K HA 0.217 4.519 4.320 -0.031 0.000 0.206 108 K C 0.500 177.093 176.600 -0.013 0.000 1.333 108 K CA 0.010 56.290 56.287 -0.013 0.000 0.957 108 K CB 1.175 33.668 32.500 -0.013 0.000 1.172 108 K HN -0.108 8.142 8.250 -0.000 0.000 0.547 109 V N 2.764 122.666 119.914 -0.020 0.000 2.427 109 V HA 0.282 4.384 4.120 -0.031 0.000 0.286 109 V C 0.616 176.711 176.094 0.001 0.000 1.034 109 V CA -0.309 61.984 62.300 -0.011 0.000 0.893 109 V CB 1.537 33.342 31.823 -0.029 0.000 0.982 109 V HN 0.278 8.468 8.190 -0.000 0.000 0.452 110 D N 3.875 124.286 120.400 0.019 0.000 2.397 110 D HA 0.188 4.809 4.640 -0.031 0.000 0.262 110 D C 0.647 176.964 176.300 0.029 0.000 1.323 110 D CA 0.800 54.816 54.000 0.027 0.000 0.999 110 D CB 0.241 41.065 40.800 0.038 0.000 0.971 110 D HN 0.446 8.816 8.370 -0.000 0.000 0.338 111 M N 0.413 120.049 119.600 0.060 0.000 2.444 111 M HA 0.424 4.886 4.480 -0.031 0.000 0.319 111 M C -0.669 175.646 176.300 0.026 0.000 1.183 111 M CA -0.972 54.341 55.300 0.021 0.000 1.032 111 M CB 2.604 35.239 32.600 0.058 0.000 1.569 111 M HN -0.184 8.106 8.290 -0.000 0.000 0.468 112 V N 1.005 120.859 119.914 -0.100 0.000 2.417 112 V HA 0.387 4.488 4.120 -0.031 0.000 0.291 112 V C -1.509 174.466 176.094 -0.199 0.000 1.024 112 V CA -0.482 61.785 62.300 -0.056 0.000 0.861 112 V CB 1.318 33.107 31.823 -0.056 0.000 0.985 112 V HN 0.779 8.969 8.190 -0.000 0.000 0.436 113 W N 4.851 126.156 121.300 0.008 0.000 2.538 113 W HA 0.655 5.302 4.660 -0.021 0.000 0.322 113 W C -0.594 175.963 176.519 0.065 0.000 1.028 113 W CA -0.624 56.735 57.345 0.023 0.000 1.228 113 W CB 1.563 30.995 29.460 -0.047 0.000 1.356 113 W HN 0.263 8.443 8.180 -0.000 0.000 0.452 114 I N 5.066 125.815 120.570 0.297 0.000 2.325 114 I HA 0.117 4.269 4.170 -0.031 0.000 0.291 114 I C 0.755 177.083 176.117 0.352 0.000 1.019 114 I CA -0.719 60.727 61.300 0.244 0.000 1.302 114 I CB 0.717 38.836 38.000 0.198 0.000 1.401 114 I HN 0.460 8.670 8.210 -0.000 0.000 0.485 115 V N 3.040 123.097 119.914 0.239 0.000 3.176 115 V HA 0.766 4.867 4.120 -0.031 0.000 0.332 115 V C 0.499 176.615 176.094 0.036 0.000 1.414 115 V CA 0.224 62.711 62.300 0.311 0.000 1.133 115 V CB -0.226 31.856 31.823 0.432 0.000 1.088 115 V HN 1.084 9.274 8.190 -0.000 0.000 0.473 116 G N -0.584 107.952 108.800 -0.440 0.000 2.592 116 G HA2 0.343 4.285 3.960 -0.031 0.000 0.684 116 G HA3 0.343 4.285 3.960 -0.031 0.000 0.684 116 G C 0.074 174.788 174.900 -0.311 0.000 1.291 116 G CA -0.155 44.466 45.100 -0.798 0.000 0.891 116 G HN 1.235 9.525 8.290 -0.000 0.000 0.544 117 G N -1.065 107.615 108.800 -0.200 0.000 2.714 117 G HA2 0.666 4.607 3.960 -0.031 0.000 0.197 117 G HA3 0.666 4.607 3.960 -0.031 0.000 0.197 117 G C 1.854 176.700 174.900 -0.090 0.000 1.449 117 G CA 1.299 46.315 45.100 -0.139 0.000 1.065 117 G HN 2.181 10.471 8.290 -0.000 0.000 0.575 118 S N -0.540 115.241 115.700 0.135 0.000 2.374 118 S HA -0.171 4.280 4.470 -0.031 0.000 0.227 118 S C 2.323 176.998 174.600 0.125 0.000 1.037 118 S CA 2.346 60.682 58.200 0.226 0.000 1.024 118 S CB -0.724 62.591 63.200 0.191 0.000 0.861 118 S HN 0.317 8.627 8.310 -0.000 0.000 0.456 119 S N 1.115 116.852 115.700 0.061 0.000 2.383 119 S HA 0.016 4.468 4.470 -0.031 0.000 0.227 119 S C 1.924 176.540 174.600 0.027 0.000 1.026 119 S CA 1.160 59.384 58.200 0.041 0.000 0.981 119 S CB -0.489 62.730 63.200 0.031 0.000 0.818 119 S HN 0.476 8.786 8.310 -0.000 0.000 0.472 120 V N 0.392 120.294 119.914 -0.020 0.000 2.379 120 V HA -0.123 3.978 4.120 -0.031 0.000 0.245 120 V C 1.906 178.011 176.094 0.017 0.000 1.044 120 V CA 1.393 63.665 62.300 -0.046 0.000 1.036 120 V CB -0.862 30.884 31.823 -0.129 0.000 0.664 120 V HN 0.420 8.610 8.190 -0.000 0.000 0.453 121 Y N 0.911 121.260 120.300 0.082 0.000 2.145 121 Y HA -0.185 4.345 4.550 -0.033 0.000 0.286 121 Y C 2.543 178.433 175.900 -0.016 0.000 1.145 121 Y CA 1.592 59.738 58.100 0.077 0.000 1.148 121 Y CB -0.673 37.860 38.460 0.121 0.000 0.981 121 Y HN 0.178 8.458 8.280 -0.000 0.000 0.507 122 K N 0.530 120.998 120.400 0.114 0.000 2.032 122 K HA -0.283 4.018 4.320 -0.031 0.000 0.209 122 K C 2.164 178.796 176.600 0.053 0.000 1.048 122 K CA 2.055 58.356 56.287 0.023 0.000 0.927 122 K CB -0.203 32.303 32.500 0.010 0.000 0.712 122 K HN 0.415 8.665 8.250 -0.000 0.000 0.441 123 E N -0.424 119.816 120.200 0.067 0.000 2.072 123 E HA -0.151 4.180 4.350 -0.031 0.000 0.190 123 E C 1.797 178.462 176.600 0.107 0.000 0.982 123 E CA 0.902 57.348 56.400 0.076 0.000 0.803 123 E CB -0.120 29.616 29.700 0.059 0.000 0.755 123 E HN 0.434 8.794 8.360 -0.000 0.000 0.453 124 A N 1.010 123.893 122.820 0.104 0.000 1.902 124 A HA -0.180 4.121 4.320 -0.031 0.000 0.217 124 A C 2.204 179.890 177.584 0.170 0.000 1.181 124 A CA 1.559 53.664 52.037 0.114 0.000 0.623 124 A CB -0.503 18.568 19.000 0.118 0.000 0.818 124 A HN 0.317 8.467 8.150 -0.000 0.000 0.443 125 M N -0.759 118.937 119.600 0.159 0.000 2.279 125 M HA -0.110 4.352 4.480 -0.031 0.000 0.264 125 M C 1.753 178.190 176.300 0.229 0.000 1.062 125 M CA 1.148 56.565 55.300 0.196 0.000 1.099 125 M CB -0.360 32.278 32.600 0.063 0.000 1.394 125 M HN 0.573 8.863 8.290 -0.000 0.000 0.426 126 N N -0.619 118.174 118.700 0.155 0.000 2.336 126 N HA -0.063 4.658 4.740 -0.031 0.000 0.189 126 N C 0.027 175.604 175.510 0.112 0.000 1.113 126 N CA -0.140 52.978 53.050 0.114 0.000 0.858 126 N CB 0.296 38.828 38.487 0.076 0.000 0.970 126 N HN 0.252 8.632 8.380 -0.000 0.000 0.471 127 H N 1.555 120.655 119.070 0.051 0.000 2.815 127 H HA 0.180 4.730 4.556 -0.009 0.000 0.350 127 H C -2.268 173.070 175.328 0.017 0.000 1.080 127 H CA -0.930 55.138 56.048 0.033 0.000 1.433 127 H CB 0.807 30.591 29.762 0.037 0.000 1.432 127 H HN 0.074 8.354 8.280 -0.000 0.000 0.592 128 P HA 0.186 4.606 4.420 -0.000 0.000 0.269 128 P C 0.160 177.396 177.300 -0.107 0.000 1.209 128 P CA 1.051 64.016 63.100 -0.225 0.000 0.776 128 P CB 0.841 32.379 31.700 -0.269 0.000 0.876 129 G N 0.739 109.515 108.800 -0.041 0.000 2.512 129 G HA2 -0.163 3.778 3.960 -0.031 0.000 0.210 129 G HA3 -0.163 3.778 3.960 -0.031 0.000 0.210 129 G C -0.994 173.942 174.900 0.060 0.000 1.295 129 G CA -0.631 44.483 45.100 0.022 0.000 0.934 129 G HN 0.799 9.089 8.290 -0.000 0.000 0.554 130 H N 0.430 119.511 119.070 0.019 0.000 2.722 130 H HA 0.619 5.150 4.556 -0.042 0.000 0.328 130 H C -0.384 174.975 175.328 0.053 0.000 1.067 130 H CA 0.331 56.393 56.048 0.023 0.000 1.447 130 H CB 0.329 30.103 29.762 0.021 0.000 1.469 130 H HN 0.453 8.733 8.280 -0.000 0.000 0.544 131 L N 5.065 125.941 121.223 -0.578 0.000 2.455 131 L HA 0.375 4.696 4.340 -0.031 0.000 0.264 131 L C -0.679 175.958 176.870 -0.387 0.000 0.968 131 L CA -0.747 53.894 54.840 -0.332 0.000 0.827 131 L CB 2.468 44.549 42.059 0.037 0.000 1.317 131 L HN 0.553 8.783 8.230 -0.000 0.000 0.407 132 K N 3.821 124.081 120.400 -0.233 0.000 2.259 132 K HA 0.701 5.002 4.320 -0.031 0.000 0.252 132 K C -1.374 175.210 176.600 -0.026 0.000 0.936 132 K CA -0.700 55.501 56.287 -0.144 0.000 0.810 132 K CB 2.489 34.883 32.500 -0.176 0.000 1.143 132 K HN 0.412 8.662 8.250 -0.000 0.000 0.427 133 L N 3.578 124.762 121.223 -0.064 0.000 2.319 133 L HA 0.458 4.779 4.340 -0.031 0.000 0.281 133 L C -0.896 175.965 176.870 -0.015 0.000 1.005 133 L CA -0.750 54.108 54.840 0.031 0.000 0.828 133 L CB 0.495 42.512 42.059 -0.070 0.000 1.227 133 L HN 0.447 8.677 8.230 -0.000 0.000 0.415 134 F N 3.242 123.293 119.950 0.169 0.000 2.335 134 F HA 0.390 4.898 4.527 -0.031 0.000 0.365 134 F C 0.149 176.070 175.800 0.203 0.000 1.122 134 F CA -0.584 57.556 58.000 0.233 0.000 1.151 134 F CB 1.347 40.550 39.000 0.337 0.000 1.282 134 F HN 0.077 8.377 8.300 -0.000 0.000 0.513 135 V N 2.764 122.841 119.914 0.271 0.000 2.409 135 V HA 0.337 4.439 4.120 -0.031 0.000 0.291 135 V C -0.008 176.176 176.094 0.151 0.000 1.020 135 V CA -0.726 61.640 62.300 0.109 0.000 0.848 135 V CB 1.725 33.579 31.823 0.052 0.000 0.990 135 V HN 0.631 8.821 8.190 -0.000 0.000 0.430 136 T N 5.930 120.537 114.554 0.089 0.000 2.728 136 T HA 0.350 4.681 4.350 -0.031 0.000 0.296 136 T C 0.192 174.814 174.700 -0.129 0.000 0.940 136 T CA -0.546 61.556 62.100 0.004 0.000 1.013 136 T CB 0.231 69.065 68.868 -0.058 0.000 0.912 136 T HN 0.370 8.610 8.240 -0.000 0.000 0.484 137 R N 3.603 124.040 120.500 -0.105 0.000 2.205 137 R HA 0.279 4.601 4.340 -0.031 0.000 0.342 137 R C -0.120 176.083 176.300 -0.162 0.000 1.058 137 R CA -0.607 55.425 56.100 -0.113 0.000 0.904 137 R CB 0.300 30.572 30.300 -0.046 0.000 1.089 137 R HN 0.540 8.810 8.270 -0.000 0.000 0.471 138 I N 4.867 125.273 120.570 -0.274 0.000 2.379 138 I HA 0.092 4.243 4.170 -0.031 0.000 0.290 138 I C 1.156 177.199 176.117 -0.122 0.000 1.063 138 I CA 0.017 61.130 61.300 -0.311 0.000 1.351 138 I CB 0.492 38.059 38.000 -0.722 0.000 1.410 138 I HN 0.415 8.625 8.210 -0.000 0.000 0.505 139 M N 7.090 126.651 119.600 -0.066 0.000 3.652 139 M HA 0.214 4.675 4.480 -0.031 0.000 0.208 139 M C -0.205 176.075 176.300 -0.032 0.000 1.307 139 M CA 0.252 55.527 55.300 -0.042 0.000 1.524 139 M CB -0.261 32.309 32.600 -0.051 0.000 1.067 139 M HN 0.560 8.850 8.290 -0.000 0.000 0.590 140 Q N -0.893 118.896 119.800 -0.018 0.000 2.575 140 Q HA 0.268 4.589 4.340 -0.031 0.000 0.290 140 Q C -1.440 174.507 176.000 -0.088 0.000 0.963 140 Q CA -1.028 54.716 55.803 -0.098 0.000 0.783 140 Q CB 2.171 30.774 28.738 -0.225 0.000 1.467 140 Q HN 0.122 8.392 8.270 -0.000 0.000 0.402 141 D N 0.578 120.864 120.400 -0.191 0.000 2.304 141 D HA 0.449 5.070 4.640 -0.031 0.000 0.250 141 D C -1.373 174.742 176.300 -0.309 0.000 1.107 141 D CA 0.345 54.278 54.000 -0.111 0.000 0.885 141 D CB 0.537 41.283 40.800 -0.090 0.000 1.192 141 D HN 0.216 8.586 8.370 -0.000 0.000 0.436 142 F N 1.037 121.059 119.950 0.120 0.000 2.561 142 F HA 0.153 4.661 4.527 -0.031 0.000 0.313 142 F C 0.527 176.386 175.800 0.097 0.000 1.126 142 F CA -1.015 57.063 58.000 0.129 0.000 0.918 142 F CB 1.591 40.730 39.000 0.233 0.000 1.199 142 F HN 0.222 8.522 8.300 -0.000 0.000 0.444 143 E N 2.124 122.469 120.200 0.242 0.000 2.585 143 E HA 0.292 4.624 4.350 -0.031 0.000 0.252 143 E C -0.922 175.736 176.600 0.096 0.000 0.981 143 E CA 0.526 57.017 56.400 0.153 0.000 0.943 143 E CB 0.434 30.201 29.700 0.113 0.000 0.923 143 E HN 0.587 8.947 8.360 -0.000 0.000 0.486 144 S N 3.026 118.756 115.700 0.049 0.000 2.595 144 S HA 0.228 4.679 4.470 -0.031 0.000 0.281 144 S C -0.837 173.677 174.600 -0.143 0.000 1.117 144 S CA -0.641 57.468 58.200 -0.153 0.000 0.873 144 S CB 1.401 64.364 63.200 -0.395 0.000 1.108 144 S HN 0.726 9.036 8.310 -0.000 0.000 0.477 145 D N -0.925 119.339 120.400 -0.225 0.000 2.520 145 D HA 0.186 4.808 4.640 -0.031 0.000 0.223 145 D C -0.278 175.987 176.300 -0.059 0.000 1.186 145 D CA 0.040 54.022 54.000 -0.029 0.000 0.821 145 D CB 0.332 41.144 40.800 0.021 0.000 1.072 145 D HN 0.346 8.716 8.370 -0.000 0.000 0.518 146 T N 0.118 114.440 114.554 -0.387 0.000 2.921 146 T HA 0.578 4.910 4.350 -0.031 0.000 0.297 146 T C -1.254 173.181 174.700 -0.441 0.000 1.013 146 T CA -0.489 61.505 62.100 -0.177 0.000 0.990 146 T CB 1.336 70.159 68.868 -0.074 0.000 1.023 146 T HN -0.077 8.163 8.240 -0.000 0.000 0.447 147 F N 1.290 121.318 119.950 0.130 0.000 2.588 147 F HA 0.671 5.179 4.527 -0.032 0.000 0.314 147 F C -0.509 175.419 175.800 0.214 0.000 1.069 147 F CA -1.404 56.693 58.000 0.160 0.000 0.931 147 F CB 1.434 40.500 39.000 0.111 0.000 1.260 147 F HN 0.517 8.817 8.300 -0.000 0.000 0.465 148 F N 4.316 124.405 119.950 0.232 0.000 2.404 148 F HA 0.578 5.086 4.527 -0.032 0.000 0.345 148 F C -2.213 173.644 175.800 0.095 0.000 1.110 148 F CA -2.705 55.364 58.000 0.116 0.000 1.130 148 F CB 0.668 39.669 39.000 0.001 0.000 1.129 148 F HN 0.193 8.493 8.300 -0.000 0.000 0.500 149 P HA 0.181 4.601 4.420 -0.000 0.000 0.270 149 P C -0.825 176.244 177.300 -0.385 0.000 1.223 149 P CA -0.011 62.867 63.100 -0.369 0.000 0.785 149 P CB 0.151 31.616 31.700 -0.392 0.000 0.923 150 E N 1.943 122.034 120.200 -0.181 0.000 2.392 150 E HA 0.144 4.476 4.350 -0.031 0.000 0.264 150 E C 0.058 176.566 176.600 -0.153 0.000 1.024 150 E CA -0.285 56.050 56.400 -0.108 0.000 0.903 150 E CB -0.380 29.287 29.700 -0.054 0.000 0.963 150 E HN 0.451 8.811 8.360 -0.000 0.000 0.432 151 I N 2.590 123.081 120.570 -0.132 0.000 2.312 151 I HA 0.104 4.256 4.170 -0.031 0.000 0.291 151 I C 0.031 176.113 176.117 -0.057 0.000 1.031 151 I CA -0.541 60.643 61.300 -0.193 0.000 1.293 151 I CB 1.436 39.191 38.000 -0.407 0.000 1.403 151 I HN 0.552 8.762 8.210 -0.000 0.000 0.484 152 D N 7.399 127.823 120.400 0.040 0.000 2.374 152 D HA 0.110 4.731 4.640 -0.031 0.000 0.240 152 D C 0.875 177.269 176.300 0.156 0.000 1.229 152 D CA 0.043 54.101 54.000 0.097 0.000 0.895 152 D CB 0.903 41.770 40.800 0.110 0.000 1.046 152 D HN 0.454 8.824 8.370 -0.000 0.000 0.498 153 L N 2.898 124.188 121.223 0.112 0.000 2.551 153 L HA -0.019 4.303 4.340 -0.031 0.000 0.228 153 L C 2.053 178.979 176.870 0.092 0.000 1.153 153 L CA 0.322 55.242 54.840 0.133 0.000 0.851 153 L CB -0.032 42.098 42.059 0.118 0.000 0.959 153 L HN 0.395 8.625 8.230 -0.000 0.000 0.451 154 E N 0.670 120.909 120.200 0.065 0.000 2.204 154 E HA -0.155 4.177 4.350 -0.031 0.000 0.194 154 E C 1.746 178.348 176.600 0.004 0.000 0.989 154 E CA 1.058 57.477 56.400 0.031 0.000 0.824 154 E CB 0.295 30.008 29.700 0.021 0.000 0.756 154 E HN 0.537 8.897 8.360 -0.000 0.000 0.477 155 K N -1.259 119.140 120.400 -0.003 0.000 2.306 155 K HA 0.084 4.386 4.320 -0.031 0.000 0.200 155 K C 0.137 176.584 176.600 -0.256 0.000 1.083 155 K CA 0.097 56.294 56.287 -0.150 0.000 0.959 155 K CB 0.559 32.926 32.500 -0.222 0.000 0.994 155 K HN -0.046 8.204 8.250 -0.000 0.000 0.492 156 Y N 1.843 122.169 120.300 0.044 0.000 2.361 156 Y HA 0.282 4.827 4.550 -0.009 0.000 0.332 156 Y C -0.040 175.943 175.900 0.138 0.000 1.101 156 Y CA -0.598 57.555 58.100 0.089 0.000 1.137 156 Y CB 1.263 39.773 38.460 0.083 0.000 1.207 156 Y HN -0.310 7.970 8.280 -0.000 0.000 0.463 157 K N 2.924 123.486 120.400 0.270 0.000 2.206 157 K HA 0.360 4.662 4.320 -0.031 0.000 0.264 157 K C -1.299 175.390 176.600 0.149 0.000 0.967 157 K CA -1.107 55.287 56.287 0.177 0.000 0.844 157 K CB 1.804 34.357 32.500 0.089 0.000 1.099 157 K HN 0.444 8.694 8.250 -0.000 0.000 0.441 158 L N 5.005 126.237 121.223 0.015 0.000 2.361 158 L HA 0.206 4.528 4.340 -0.031 0.000 0.278 158 L C -0.820 175.937 176.870 -0.187 0.000 1.113 158 L CA 0.127 54.753 54.840 -0.357 0.000 0.849 158 L CB 0.139 41.974 42.059 -0.373 0.000 1.155 158 L HN 0.477 8.707 8.230 -0.000 0.000 0.452 159 L N 8.088 129.193 121.223 -0.197 0.000 2.349 159 L HA 0.317 4.638 4.340 -0.031 0.000 0.275 159 L C -0.903 175.938 176.870 -0.048 0.000 1.115 159 L CA -1.419 53.384 54.840 -0.062 0.000 0.820 159 L CB 0.586 42.646 42.059 0.001 0.000 1.135 159 L HN 0.586 8.816 8.230 -0.000 0.000 0.445 160 P HA -0.094 4.326 4.420 -0.000 0.000 0.218 160 P C 0.063 177.378 177.300 0.025 0.000 1.149 160 P CA 1.019 64.120 63.100 0.001 0.000 0.817 160 P CB 0.246 31.953 31.700 0.011 0.000 0.785 161 E N -2.590 117.648 120.200 0.063 0.000 2.447 161 E HA 0.530 4.862 4.350 -0.031 0.000 0.279 161 E C -2.082 174.638 176.600 0.200 0.000 1.053 161 E CA -1.030 55.431 56.400 0.102 0.000 0.840 161 E CB 1.317 31.057 29.700 0.066 0.000 1.409 161 E HN 0.096 8.456 8.360 -0.000 0.000 0.461 162 Y N -0.121 120.209 120.300 0.050 0.000 2.442 162 Y HA 0.565 5.096 4.550 -0.032 0.000 0.330 162 Y C -2.805 173.153 175.900 0.097 0.000 1.100 162 Y CA -2.319 55.826 58.100 0.076 0.000 1.034 162 Y CB 2.718 41.234 38.460 0.093 0.000 1.285 162 Y HN 0.604 8.884 8.280 -0.000 0.000 0.440 163 P HA 0.211 4.631 4.420 -0.000 0.000 0.261 163 P C 0.507 177.815 177.300 0.014 0.000 1.183 163 P CA 2.040 65.043 63.100 -0.161 0.000 0.761 163 P CB 0.501 32.047 31.700 -0.257 0.000 0.785 164 G N 1.396 110.236 108.800 0.067 0.000 2.179 164 G HA2 -0.191 3.751 3.960 -0.031 0.000 0.260 164 G HA3 -0.191 3.751 3.960 -0.031 0.000 0.260 164 G C -0.050 174.952 174.900 0.171 0.000 0.977 164 G CA -0.098 45.065 45.100 0.106 0.000 0.641 164 G HN 0.544 8.834 8.290 -0.000 0.000 0.533 165 V N 1.920 121.968 119.914 0.222 0.000 2.448 165 V HA 0.562 4.663 4.120 -0.031 0.000 0.295 165 V C 0.894 177.094 176.094 0.177 0.000 1.025 165 V CA -0.944 61.498 62.300 0.237 0.000 0.859 165 V CB 1.717 33.764 31.823 0.373 0.000 0.988 165 V HN 0.333 8.523 8.190 -0.000 0.000 0.431 166 L N 3.316 124.636 121.223 0.161 0.000 2.453 166 L HA 0.166 4.488 4.340 -0.031 0.000 0.272 166 L C 1.367 178.356 176.870 0.197 0.000 1.182 166 L CA 0.317 55.268 54.840 0.185 0.000 0.858 166 L CB 0.779 42.971 42.059 0.223 0.000 1.120 166 L HN 0.734 8.964 8.230 -0.000 0.000 0.474 167 S N -0.352 115.417 115.700 0.114 0.000 2.470 167 S HA 0.026 4.478 4.470 -0.031 0.000 0.222 167 S C 0.316 174.933 174.600 0.027 0.000 1.024 167 S CA -0.059 58.186 58.200 0.075 0.000 0.931 167 S CB 0.065 63.296 63.200 0.051 0.000 0.791 167 S HN 0.640 8.950 8.310 -0.000 0.000 0.513 168 D N 1.463 121.868 120.400 0.008 0.000 2.354 168 D HA 0.259 4.881 4.640 -0.031 0.000 0.247 168 D C -0.017 176.219 176.300 -0.107 0.000 1.138 168 D CA -0.285 53.691 54.000 -0.041 0.000 0.958 168 D CB 0.855 41.632 40.800 -0.039 0.000 1.144 168 D HN -0.112 8.258 8.370 -0.000 0.000 0.458 169 V N 2.449 122.283 119.914 -0.135 0.000 2.599 169 V HA -0.059 4.042 4.120 -0.031 0.000 0.300 169 V C 0.668 176.579 176.094 -0.304 0.000 1.034 169 V CA 0.167 62.333 62.300 -0.222 0.000 1.115 169 V CB 0.376 32.096 31.823 -0.171 0.000 0.934 169 V HN 0.325 8.515 8.190 -0.000 0.000 0.485 170 Q N 3.603 123.073 119.800 -0.549 0.000 2.215 170 Q HA 0.602 4.924 4.340 -0.031 0.000 0.256 170 Q C -0.349 175.237 176.000 -0.689 0.000 0.972 170 Q CA -0.451 54.922 55.803 -0.717 0.000 0.889 170 Q CB 2.329 30.276 28.738 -1.319 0.000 1.281 170 Q HN 0.828 9.098 8.270 -0.000 0.000 0.456 171 E N 0.882 120.813 120.200 -0.449 0.000 2.291 171 E HA 0.332 4.664 4.350 -0.031 0.000 0.276 171 E C -1.423 175.126 176.600 -0.085 0.000 0.896 171 E CA -0.081 56.180 56.400 -0.232 0.000 0.774 171 E CB 1.418 31.035 29.700 -0.138 0.000 1.227 171 E HN 0.490 8.850 8.360 -0.000 0.000 0.413 172 E N 3.056 123.279 120.200 0.040 0.000 2.292 172 E HA 0.269 4.600 4.350 -0.031 0.000 0.272 172 E C -0.953 175.690 176.600 0.072 0.000 0.881 172 E CA -0.877 55.573 56.400 0.084 0.000 0.754 172 E CB 1.868 31.663 29.700 0.159 0.000 1.201 172 E HN 0.468 8.828 8.360 -0.000 0.000 0.425 173 K N 0.954 121.388 120.400 0.056 0.000 3.035 173 K HA -0.291 4.011 4.320 -0.031 0.000 0.262 173 K C 0.662 177.295 176.600 0.055 0.000 1.024 173 K CA 0.645 56.965 56.287 0.056 0.000 0.748 173 K CB -1.529 31.011 32.500 0.066 0.000 1.247 173 K HN 1.095 9.345 8.250 -0.000 0.000 0.482 174 G N -0.175 108.648 108.800 0.037 0.000 2.168 174 G HA2 -0.314 3.627 3.960 -0.031 0.000 0.263 174 G HA3 -0.314 3.627 3.960 -0.031 0.000 0.263 174 G C 0.182 175.103 174.900 0.035 0.000 0.977 174 G CA 0.603 45.720 45.100 0.028 0.000 0.659 174 G HN 0.435 8.725 8.290 -0.000 0.000 0.533 175 I N 0.823 121.427 120.570 0.056 0.000 2.339 175 I HA 0.344 4.495 4.170 -0.031 0.000 0.290 175 I C 0.436 176.581 176.117 0.046 0.000 0.994 175 I CA -0.673 60.672 61.300 0.075 0.000 1.191 175 I CB 1.419 39.488 38.000 0.116 0.000 1.343 175 I HN -0.069 8.141 8.210 -0.000 0.000 0.458 176 K N 6.561 126.957 120.400 -0.005 0.000 2.143 176 K HA 0.557 4.859 4.320 -0.031 0.000 0.272 176 K C -1.219 175.352 176.600 -0.048 0.000 1.001 176 K CA -0.504 55.729 56.287 -0.091 0.000 0.915 176 K CB 1.457 33.893 32.500 -0.107 0.000 1.047 176 K HN 0.511 8.761 8.250 -0.000 0.000 0.458 177 Y N -1.058 119.092 120.300 -0.250 0.000 2.638 177 Y HA 0.499 5.030 4.550 -0.031 0.000 0.335 177 Y C -1.550 174.113 175.900 -0.395 0.000 1.155 177 Y CA -1.472 56.426 58.100 -0.336 0.000 1.046 177 Y CB 1.250 39.448 38.460 -0.437 0.000 1.303 177 Y HN 0.505 8.785 8.280 -0.000 0.000 0.460 178 K N 0.986 121.263 120.400 -0.205 0.000 2.502 178 K HA 0.650 4.951 4.320 -0.031 0.000 0.257 178 K C -2.129 174.329 176.600 -0.238 0.000 0.938 178 K CA -0.727 55.381 56.287 -0.298 0.000 0.819 178 K CB 2.168 34.571 32.500 -0.162 0.000 1.333 178 K HN 0.477 8.727 8.250 -0.000 0.000 0.434 179 F N 1.569 121.499 119.950 -0.033 0.000 2.411 179 F HA 0.330 4.838 4.527 -0.031 0.000 0.350 179 F C 0.280 176.077 175.800 -0.005 0.000 1.114 179 F CA -0.265 57.707 58.000 -0.047 0.000 1.135 179 F CB 1.223 40.133 39.000 -0.150 0.000 1.120 179 F HN 0.468 8.768 8.300 -0.000 0.000 0.495 180 E N 1.791 122.108 120.200 0.196 0.000 2.244 180 E HA 0.696 5.028 4.350 -0.031 0.000 0.266 180 E C -1.381 175.209 176.600 -0.017 0.000 0.914 180 E CA -1.030 55.391 56.400 0.035 0.000 0.794 180 E CB 2.967 32.666 29.700 -0.001 0.000 1.210 180 E HN 0.261 8.621 8.360 -0.000 0.000 0.414 181 V N 2.661 122.436 119.914 -0.233 0.000 2.531 181 V HA 0.349 4.450 4.120 -0.031 0.000 0.301 181 V C -1.285 174.548 176.094 -0.435 0.000 1.034 181 V CA -0.851 61.194 62.300 -0.425 0.000 0.865 181 V CB 0.586 32.008 31.823 -0.669 0.000 0.995 181 V HN 0.571 8.761 8.190 -0.000 0.000 0.424 182 Y N 2.096 122.249 120.300 -0.245 0.000 2.487 182 Y HA 0.732 5.261 4.550 -0.034 0.000 0.337 182 Y C 0.237 176.113 175.900 -0.039 0.000 1.076 182 Y CA -0.776 57.276 58.100 -0.080 0.000 1.115 182 Y CB 1.925 40.357 38.460 -0.048 0.000 1.235 182 Y HN 0.679 8.959 8.280 -0.000 0.000 0.468 183 E N 1.994 122.350 120.200 0.261 0.000 2.331 183 E HA 0.454 4.786 4.350 -0.031 0.000 0.275 183 E C -1.768 174.894 176.600 0.103 0.000 0.895 183 E CA -1.037 55.454 56.400 0.152 0.000 0.753 183 E CB 1.646 31.398 29.700 0.087 0.000 1.216 183 E HN 0.643 9.003 8.360 -0.000 0.000 0.434 184 K N 2.489 122.825 120.400 -0.107 0.000 2.385 184 K HA 0.506 4.808 4.320 -0.031 0.000 0.248 184 K C -0.413 176.129 176.600 -0.097 0.000 0.955 184 K CA -0.802 55.320 56.287 -0.275 0.000 0.816 184 K CB 1.706 33.751 32.500 -0.759 0.000 1.250 184 K HN 0.344 8.594 8.250 -0.000 0.000 0.434 185 N N 0.202 118.882 118.700 -0.034 0.000 2.332 185 N HA 0.063 4.784 4.740 -0.031 0.000 0.190 185 N C -0.810 174.713 175.510 0.021 0.000 1.117 185 N CA 0.187 53.280 53.050 0.071 0.000 0.883 185 N CB 0.602 39.135 38.487 0.076 0.000 1.089 185 N HN 0.595 8.975 8.380 -0.000 0.000 0.480 186 D N 0.000 120.376 120.400 -0.040 0.000 6.856 186 D HA 0.000 4.622 4.640 -0.031 0.000 0.175 186 D CA 0.000 53.974 54.000 -0.043 0.000 0.868 186 D CB 0.000 40.775 40.800 -0.042 0.000 0.688 186 D HN 0.000 8.370 8.370 -0.000 0.000 0.683