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 2izl_1_D DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK V 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 13 A HA 0.000 4.504 4.320 0.307 0.000 0.244 13 A C 0.000 177.703 177.584 0.198 0.000 1.274 13 A CA 0.000 52.213 52.037 0.293 0.000 0.836 13 A CB 0.000 19.100 19.000 0.167 0.000 0.831 14 E N 1.362 121.631 120.200 0.116 0.000 3.735 14 E HA -0.547 3.846 4.350 0.072 0.000 0.408 14 E C 1.461 178.004 176.600 -0.095 0.000 1.641 14 E CA 1.527 57.949 56.400 0.037 0.000 1.882 14 E CB -1.160 28.586 29.700 0.077 0.000 1.622 14 E HN 0.494 8.947 8.360 0.155 0.000 0.391 15 A N 2.354 125.140 122.820 -0.057 0.000 2.004 15 A HA -0.455 3.797 4.320 -0.114 0.000 0.229 15 A C 2.114 179.620 177.584 -0.130 0.000 1.455 15 A CA 2.400 54.383 52.037 -0.091 0.000 0.709 15 A CB -0.630 18.347 19.000 -0.037 0.000 0.835 15 A HN 0.392 8.539 8.150 -0.006 0.000 0.514 16 G N -2.584 106.167 108.800 -0.081 0.000 2.657 16 G HA2 -0.428 3.555 3.960 0.040 0.000 0.224 16 G HA3 -0.428 3.620 3.960 0.147 0.000 0.224 16 G C 1.152 176.003 174.900 -0.083 0.000 1.086 16 G CA 1.851 46.949 45.100 -0.004 0.000 0.730 16 G HN -0.326 7.911 8.290 -0.028 0.036 0.602 17 I N 0.757 121.094 120.570 -0.388 0.000 2.353 17 I HA -0.285 3.848 4.170 -0.062 0.000 0.248 17 I C 0.153 176.239 176.117 -0.052 0.000 1.119 17 I CA 2.618 63.731 61.300 -0.311 0.000 1.417 17 I CB 0.088 37.688 38.000 -0.668 0.000 1.078 17 I HN -0.493 7.370 8.210 -0.473 0.063 0.421 18 T N 1.842 116.293 114.554 -0.172 0.000 2.934 18 T HA -0.355 4.027 4.350 -0.212 -0.158 0.306 18 T C -0.158 174.461 174.700 -0.135 0.000 1.042 18 T CA 3.294 65.296 62.100 -0.164 0.000 1.145 18 T CB -0.032 68.738 68.868 -0.163 0.000 0.982 18 T HN -0.373 7.731 8.240 -0.226 0.000 0.544 19 G N 4.465 113.148 108.800 -0.195 0.000 2.350 19 G HA2 -0.163 3.640 3.960 -0.262 0.000 0.282 19 G HA3 -0.163 3.558 3.960 -0.399 0.000 0.282 19 G C -3.173 171.501 174.900 -0.378 0.000 1.314 19 G CA 0.107 45.022 45.100 -0.307 0.000 0.915 19 G HN -0.052 8.103 8.290 -0.225 0.000 0.499 20 T N 2.219 116.487 114.554 -0.476 0.000 2.771 20 T HA 0.760 5.031 4.350 -0.424 -0.174 0.281 20 T C -1.026 173.301 174.700 -0.622 0.000 0.982 20 T CA 0.676 62.493 62.100 -0.472 0.000 0.978 20 T CB 1.151 69.800 68.868 -0.365 0.000 0.930 20 T HN 0.040 7.993 8.240 -0.478 0.000 0.447 21 W N 5.541 126.548 121.300 -0.487 0.000 2.864 21 W HA 0.434 5.192 4.660 -0.062 -0.134 0.343 21 W C -1.855 174.472 176.519 -0.322 0.000 1.109 21 W CA -1.427 55.793 57.345 -0.209 0.000 1.192 21 W CB 3.628 33.112 29.460 0.040 0.000 1.426 21 W HN 0.962 8.970 8.180 -0.287 0.000 0.529 22 Y N -2.314 118.288 120.300 0.503 0.000 2.477 22 Y HA 0.832 5.780 4.550 0.332 -0.199 0.347 22 Y C -0.831 175.282 175.900 0.356 0.000 0.981 22 Y CA -1.862 56.454 58.100 0.360 0.000 1.033 22 Y CB 3.416 41.982 38.460 0.177 0.000 1.245 22 Y HN 0.934 9.612 8.280 0.664 0.000 0.455 23 N N 0.659 119.548 118.700 0.315 0.000 2.563 23 N HA 0.641 5.503 4.740 -0.112 -0.189 0.288 23 N C 2.065 177.602 175.510 0.044 0.000 1.246 23 N CA -2.854 50.151 53.050 -0.075 0.000 0.946 23 N CB 1.839 40.016 38.487 -0.516 0.000 1.213 23 N HN -0.253 8.331 8.380 0.341 0.000 0.578 24 Q N -0.578 119.216 119.800 -0.009 0.000 2.297 24 Q HA -0.177 4.191 4.340 0.046 0.000 0.208 24 Q C 0.523 176.547 176.000 0.041 0.000 0.981 24 Q CA 2.472 58.293 55.803 0.030 0.000 0.876 24 Q CB -0.737 28.014 28.738 0.021 0.000 0.921 24 Q HN 0.343 8.565 8.270 -0.081 0.000 0.446 25 L N -2.609 118.644 121.223 0.049 0.000 2.509 25 L HA 0.159 4.527 4.340 0.046 0.000 0.222 25 L C 0.861 177.777 176.870 0.077 0.000 1.123 25 L CA -0.211 54.665 54.840 0.060 0.000 0.856 25 L CB 0.451 42.553 42.059 0.073 0.000 0.985 25 L HN -0.442 7.967 8.230 0.039 -0.156 0.456 26 G N -3.200 105.663 108.800 0.105 0.000 2.144 26 G HA2 -0.330 3.709 3.960 0.132 0.000 0.218 26 G HA3 -0.330 3.681 3.960 0.085 0.000 0.218 26 G C -0.029 174.975 174.900 0.173 0.000 0.988 26 G CA -0.243 44.932 45.100 0.124 0.000 0.659 26 G HN -0.242 8.070 8.290 0.112 0.044 0.522 27 S N 1.568 117.375 115.700 0.177 0.000 2.603 27 S HA 0.200 4.807 4.470 0.122 -0.064 0.268 27 S C -0.825 173.834 174.600 0.098 0.000 1.317 27 S CA 0.849 59.129 58.200 0.134 0.000 1.012 27 S CB 1.476 64.798 63.200 0.203 0.000 0.926 27 S HN -0.375 8.285 8.310 0.172 -0.247 0.539 28 T N 4.216 118.719 114.554 -0.085 0.000 2.807 28 T HA 0.523 4.917 4.350 -0.177 -0.150 0.279 28 T C -1.710 172.784 174.700 -0.343 0.000 0.993 28 T CA -0.017 61.980 62.100 -0.172 0.000 0.970 28 T CB 1.812 70.631 68.868 -0.082 0.000 0.950 28 T HN 0.558 8.722 8.240 -0.126 0.000 0.441 29 F N 8.981 128.644 119.950 -0.478 0.000 2.460 29 F HA 0.645 5.012 4.527 -0.499 -0.139 0.341 29 F C -2.983 172.620 175.800 -0.329 0.000 1.130 29 F CA -2.890 54.821 58.000 -0.481 0.000 0.962 29 F CB 3.193 41.843 39.000 -0.583 0.000 1.171 29 F HN 0.889 9.071 8.300 -0.197 0.000 0.436 30 I N 8.561 128.853 120.570 -0.464 0.000 2.355 30 I HA 0.472 4.525 4.170 -0.472 -0.166 0.288 30 I C -2.275 173.492 176.117 -0.584 0.000 0.999 30 I CA -0.940 60.083 61.300 -0.462 0.000 1.163 30 I CB 1.667 39.510 38.000 -0.261 0.000 1.316 30 I HN 0.628 8.674 8.210 -0.273 0.000 0.454 31 V N 8.582 128.088 119.914 -0.680 0.000 3.040 31 V HA 0.772 4.780 4.120 -0.466 -0.168 0.312 31 V C -2.226 173.649 176.094 -0.364 0.000 1.115 31 V CA -2.898 59.042 62.300 -0.600 0.000 0.998 31 V CB 5.287 36.491 31.823 -1.032 0.000 1.042 31 V HN 0.787 8.614 8.190 -0.605 0.000 0.433 32 T N 8.798 123.187 114.554 -0.275 0.000 2.812 32 T HA 0.254 4.485 4.350 -0.198 0.000 0.282 32 T C -2.182 172.409 174.700 -0.182 0.000 0.990 32 T CA -0.564 61.420 62.100 -0.194 0.000 0.960 32 T CB 1.916 70.706 68.868 -0.131 0.000 0.948 32 T HN 0.553 8.636 8.240 -0.262 0.000 0.438 33 A N 7.540 130.240 122.820 -0.201 0.000 2.271 33 A HA 0.835 5.250 4.320 -0.152 -0.186 0.317 33 A C -0.730 176.837 177.584 -0.027 0.000 1.245 33 A CA -2.180 49.730 52.037 -0.212 0.000 0.857 33 A CB 1.736 20.410 19.000 -0.544 0.000 1.175 33 A HN 0.436 8.465 8.150 -0.202 0.000 0.512 34 G N 1.083 109.949 108.800 0.111 0.000 2.420 34 G HA2 0.170 4.159 3.960 0.048 0.000 0.284 34 G HA3 0.170 4.183 3.960 0.087 0.000 0.284 34 G C 0.291 175.296 174.900 0.174 0.000 1.177 34 G CA -1.076 44.087 45.100 0.105 0.000 0.841 34 G HN 0.375 8.658 8.290 0.167 0.107 0.527 35 A N 2.115 124.993 122.820 0.096 0.000 2.032 35 A HA -0.260 4.131 4.320 0.118 0.000 0.221 35 A C 0.418 178.025 177.584 0.039 0.000 1.165 35 A CA 2.518 54.604 52.037 0.082 0.000 0.645 35 A CB -0.381 18.642 19.000 0.038 0.000 0.807 35 A HN 0.603 8.788 8.150 0.058 0.000 0.453 36 D N -3.732 116.675 120.400 0.013 0.000 2.388 36 D HA 0.011 4.610 4.640 -0.069 0.000 0.221 36 D C -0.529 175.685 176.300 -0.142 0.000 1.133 36 D CA -0.405 53.563 54.000 -0.054 0.000 0.831 36 D CB 0.295 41.078 40.800 -0.029 0.000 0.962 36 D HN -0.284 8.072 8.370 0.035 0.035 0.502 37 G N -2.196 106.464 108.800 -0.232 0.000 2.192 37 G HA2 -0.322 2.927 3.960 -1.363 0.000 0.193 37 G HA3 -0.322 3.418 3.960 -0.366 0.000 0.193 37 G C -2.005 172.876 174.900 -0.032 0.000 0.999 37 G CA 0.053 44.868 45.100 -0.474 0.000 0.659 37 G HN -0.262 7.927 8.290 -0.078 0.054 0.503 38 A N -0.061 122.839 122.820 0.134 0.000 2.302 38 A HA 0.432 4.952 4.320 0.128 -0.122 0.285 38 A C -1.529 176.179 177.584 0.206 0.000 1.105 38 A CA -1.162 50.966 52.037 0.152 0.000 0.816 38 A CB 2.103 21.149 19.000 0.077 0.000 1.067 38 A HN -0.520 7.698 8.150 0.114 0.000 0.489 39 L N 0.947 122.248 121.223 0.131 0.000 2.410 39 L HA 0.973 5.502 4.340 -0.029 -0.207 0.270 39 L C -0.301 176.570 176.870 0.001 0.000 0.983 39 L CA -1.401 53.460 54.840 0.035 0.000 0.822 39 L CB 3.272 45.360 42.059 0.049 0.000 1.285 39 L HN -0.060 8.243 8.230 0.122 0.000 0.409 40 T N -1.306 113.210 114.554 -0.064 0.000 2.916 40 T HA 0.718 5.199 4.350 -0.024 -0.146 0.305 40 T C -0.834 173.797 174.700 -0.116 0.000 1.119 40 T CA -1.839 60.227 62.100 -0.057 0.000 1.008 40 T CB 3.319 72.165 68.868 -0.036 0.000 1.129 40 T HN 0.419 8.593 8.240 -0.110 0.000 0.480 41 G N 0.207 108.954 108.800 -0.087 0.000 2.360 41 G HA2 0.293 4.184 3.960 -0.113 0.000 0.276 41 G HA3 0.293 4.364 3.960 -0.204 -0.233 0.276 41 G C -2.654 172.221 174.900 -0.041 0.000 1.256 41 G CA 0.973 46.003 45.100 -0.117 0.000 0.890 41 G HN -0.195 8.069 8.290 -0.043 0.000 0.486 42 T N -2.057 112.476 114.554 -0.035 0.000 2.906 42 T HA 0.985 5.563 4.350 0.097 -0.170 0.295 42 T C -2.472 172.314 174.700 0.143 0.000 1.075 42 T CA -2.178 59.958 62.100 0.060 0.000 1.005 42 T CB 3.699 72.585 68.868 0.030 0.000 1.136 42 T HN -0.004 8.173 8.240 -0.105 0.000 0.498 43 Y N 0.830 121.199 120.300 0.115 0.000 2.477 43 Y HA 0.668 5.513 4.550 0.171 -0.192 0.347 43 Y C -2.614 173.478 175.900 0.319 0.000 0.981 43 Y CA -1.650 56.564 58.100 0.189 0.000 1.033 43 Y CB 4.654 43.196 38.460 0.136 0.000 1.245 43 Y HN 0.876 9.237 8.280 0.309 0.104 0.455 44 E N 7.177 127.491 120.200 0.190 0.000 2.244 44 E HA 0.506 5.304 4.350 0.536 -0.127 0.260 44 E C -2.301 174.471 176.600 0.288 0.000 0.884 44 E CA -1.429 55.161 56.400 0.317 0.000 0.777 44 E CB 4.028 33.816 29.700 0.146 0.000 1.197 44 E HN 0.428 8.625 8.360 -0.273 0.000 0.416 45 S N 7.293 123.279 115.700 0.476 0.000 2.541 45 S HA 0.159 4.856 4.470 0.379 0.000 0.283 45 S C -0.241 174.462 174.600 0.172 0.000 1.196 45 S CA -1.389 57.019 58.200 0.347 0.000 1.062 45 S CB 1.338 64.646 63.200 0.180 0.000 1.009 45 S HN 0.708 9.378 8.310 0.600 0.000 0.502 46 A N 6.124 129.020 122.820 0.125 0.000 2.195 46 A HA 0.158 4.521 4.320 0.072 0.000 0.210 46 A C -0.271 177.329 177.584 0.027 0.000 1.165 46 A CA 0.423 52.504 52.037 0.073 0.000 0.806 46 A CB 0.475 19.519 19.000 0.074 0.000 0.847 46 A HN 0.136 8.379 8.150 0.155 0.000 0.482 47 V N -5.762 114.147 119.914 -0.007 0.000 3.102 47 V HA 0.378 4.472 4.120 -0.043 0.000 0.312 47 V C -0.157 175.844 176.094 -0.154 0.000 1.135 47 V CA -1.492 60.771 62.300 -0.062 0.000 1.022 47 V CB 2.552 34.341 31.823 -0.056 0.000 1.056 47 V HN -0.480 7.665 8.190 0.005 0.048 0.436 48 G N 0.528 109.233 108.800 -0.159 0.000 2.685 48 G HA2 -0.297 3.540 3.960 -0.204 0.000 0.387 48 G HA3 -0.297 3.441 3.960 -0.370 0.000 0.387 48 G C -1.304 173.486 174.900 -0.184 0.000 1.324 48 G CA -0.547 44.412 45.100 -0.235 0.000 0.878 48 G HN 0.306 8.530 8.290 -0.111 0.000 0.527 49 N N 2.357 120.926 118.700 -0.219 0.000 3.124 49 N HA 0.035 4.733 4.740 -0.070 0.000 0.284 49 N C -1.646 173.793 175.510 -0.118 0.000 1.209 49 N CA -1.070 51.904 53.050 -0.127 0.000 1.149 49 N CB -1.321 37.098 38.487 -0.113 0.000 1.434 49 N HN 0.059 8.265 8.380 -0.290 0.000 0.529 50 A N 1.860 124.649 122.820 -0.052 0.000 2.594 50 A HA 0.478 4.964 4.320 0.277 0.000 0.295 50 A C -2.414 175.300 177.584 0.215 0.000 1.071 50 A CA -0.700 51.413 52.037 0.125 0.000 0.685 50 A CB 3.029 21.983 19.000 -0.077 0.000 1.285 50 A HN -0.377 7.695 8.150 -0.052 0.047 0.405 51 E N 1.996 122.413 120.200 0.362 0.000 2.347 51 E HA 0.283 4.703 4.350 0.117 0.000 0.285 51 E C -1.362 175.268 176.600 0.050 0.000 0.925 51 E CA -0.456 56.029 56.400 0.140 0.000 0.779 51 E CB 2.246 31.949 29.700 0.005 0.000 1.233 51 E HN 0.509 9.256 8.360 0.644 0.000 0.414 52 S N 1.048 116.741 115.700 -0.010 0.000 3.795 52 S HA -0.316 4.114 4.470 -0.068 0.000 0.634 52 S C -1.022 173.582 174.600 0.007 0.000 2.115 52 S CA 1.272 59.423 58.200 -0.082 0.000 2.496 52 S CB 0.312 63.360 63.200 -0.253 0.000 0.325 52 S HN 0.356 8.681 8.310 0.025 0.000 1.601 53 R N 0.617 121.077 120.500 -0.068 0.000 2.643 53 R HA 0.465 5.097 4.340 0.204 -0.170 0.272 53 R C -0.981 175.176 176.300 -0.239 0.000 0.995 53 R CA -0.488 55.613 56.100 0.002 0.000 1.032 53 R CB 2.463 32.782 30.300 0.032 0.000 1.126 53 R HN -0.120 8.112 8.270 -0.064 0.000 0.505 54 Y N -2.543 117.857 120.300 0.166 0.000 2.545 54 Y HA 0.194 4.798 4.550 0.090 0.000 0.348 54 Y C -0.884 175.043 175.900 0.045 0.000 1.002 54 Y CA -1.369 56.788 58.100 0.095 0.000 1.039 54 Y CB 2.874 41.354 38.460 0.033 0.000 1.271 54 Y HN 0.330 8.828 8.280 0.364 0.000 0.467 55 V N 1.647 121.647 119.914 0.143 0.000 2.686 55 V HA 0.130 4.423 4.120 0.066 -0.134 0.295 55 V C -0.361 175.769 176.094 0.060 0.000 1.055 55 V CA 0.646 62.991 62.300 0.075 0.000 1.050 55 V CB 0.127 31.976 31.823 0.044 0.000 0.984 55 V HN 0.737 9.016 8.190 0.148 0.000 0.482 56 L N 1.636 122.896 121.223 0.061 0.000 2.371 56 L HA 1.025 5.571 4.340 0.078 -0.159 0.262 56 L C -1.587 175.326 176.870 0.072 0.000 1.006 56 L CA -1.507 53.384 54.840 0.084 0.000 0.818 56 L CB 4.103 46.235 42.059 0.121 0.000 1.354 56 L HN 0.536 8.795 8.230 0.048 0.000 0.415 57 T N 0.813 115.435 114.554 0.113 0.000 2.923 57 T HA 0.644 5.195 4.350 0.070 -0.159 0.311 57 T C -1.423 173.379 174.700 0.170 0.000 1.183 57 T CA -1.250 60.909 62.100 0.099 0.000 1.020 57 T CB 2.320 71.228 68.868 0.066 0.000 1.165 57 T HN -0.166 8.167 8.240 0.155 0.000 0.482 58 G N 2.669 111.568 108.800 0.165 0.000 2.634 58 G HA2 0.676 4.755 3.960 0.199 0.000 0.309 58 G HA3 0.676 4.965 3.960 0.315 -0.140 0.309 58 G C -2.824 172.184 174.900 0.180 0.000 1.299 58 G CA 0.574 45.806 45.100 0.218 0.000 0.798 58 G HN 0.307 8.670 8.290 0.121 0.000 0.490 59 R N -3.282 117.343 120.500 0.207 0.000 2.740 59 R HA 1.155 5.824 4.340 0.196 -0.212 0.273 59 R C -1.752 174.707 176.300 0.266 0.000 0.998 59 R CA -2.319 53.892 56.100 0.185 0.000 0.900 59 R CB 4.800 35.153 30.300 0.089 0.000 1.223 59 R HN 0.098 8.510 8.270 0.237 0.000 0.466 60 Y N -2.754 117.577 120.300 0.052 0.000 2.625 60 Y HA 0.570 5.286 4.550 0.071 -0.123 0.338 60 Y C -2.171 173.751 175.900 0.037 0.000 1.123 60 Y CA -2.341 55.790 58.100 0.051 0.000 1.046 60 Y CB 2.449 40.926 38.460 0.029 0.000 1.299 60 Y HN 0.315 8.607 8.280 0.021 0.000 0.464 61 D N 1.124 121.517 120.400 -0.012 0.000 2.344 61 D HA 0.065 4.605 4.640 -0.167 0.000 0.253 61 D C 0.344 176.536 176.300 -0.180 0.000 1.255 61 D CA -0.622 53.316 54.000 -0.103 0.000 0.894 61 D CB 0.185 41.008 40.800 0.038 0.000 1.067 61 D HN -0.193 8.300 8.370 0.204 0.000 0.492 62 S N 3.547 119.007 115.700 -0.399 0.000 2.603 62 S HA -0.011 4.414 4.470 -0.075 0.000 0.220 62 S C 0.153 174.733 174.600 -0.032 0.000 0.967 62 S CA 0.812 58.865 58.200 -0.245 0.000 0.920 62 S CB 0.141 63.139 63.200 -0.336 0.000 0.773 62 S HN 0.012 8.071 8.310 -0.418 0.000 0.529 63 A N 1.781 124.588 122.820 -0.022 0.000 3.410 63 A HA 0.359 4.697 4.320 0.030 0.000 0.276 63 A C -2.624 174.979 177.584 0.032 0.000 0.995 63 A CA -1.897 50.148 52.037 0.013 0.000 0.934 63 A CB -0.098 18.898 19.000 -0.006 0.000 1.191 63 A HN -0.402 7.933 8.150 -0.048 -0.213 0.511 64 P HA 0.012 4.657 4.420 0.060 -0.189 0.274 64 P C -0.440 176.894 177.300 0.057 0.000 1.260 64 P CA -0.710 62.433 63.100 0.071 0.000 0.793 64 P CB 0.864 32.630 31.700 0.110 0.000 1.048 65 A N -0.610 122.243 122.820 0.054 0.000 2.425 65 A HA -0.020 4.322 4.320 0.036 0.000 0.242 65 A C 0.763 178.375 177.584 0.046 0.000 1.077 65 A CA 0.099 52.161 52.037 0.043 0.000 0.781 65 A CB 0.435 19.457 19.000 0.038 0.000 1.020 65 A HN 0.096 8.281 8.150 0.058 0.000 0.494 66 T N -3.226 111.351 114.554 0.038 0.000 3.148 66 T HA -0.102 4.273 4.350 0.042 0.000 0.253 66 T C -0.530 174.190 174.700 0.033 0.000 1.134 66 T CA -0.102 62.020 62.100 0.036 0.000 1.051 66 T CB 0.291 69.177 68.868 0.030 0.000 0.959 66 T HN 0.051 8.311 8.240 0.033 0.000 0.525 67 D N 0.672 121.091 120.400 0.032 0.000 2.453 67 D HA 0.004 4.658 4.640 0.025 0.000 0.282 67 D C 1.362 177.681 176.300 0.030 0.000 1.222 67 D CA -1.552 52.464 54.000 0.027 0.000 1.079 67 D CB 0.156 40.970 40.800 0.024 0.000 1.128 67 D HN -0.548 7.768 8.370 0.033 0.074 0.568 68 G N -3.034 105.781 108.800 0.027 0.000 3.639 68 G HA2 0.009 3.987 3.960 0.030 0.000 0.279 68 G HA3 0.009 3.982 3.960 0.022 0.000 0.279 68 G C -0.518 174.399 174.900 0.029 0.000 1.312 68 G CA -0.374 44.742 45.100 0.027 0.000 1.355 68 G HN 0.121 8.425 8.290 0.023 0.000 0.595 69 S N 1.655 117.376 115.700 0.036 0.000 2.610 69 S HA 0.174 4.664 4.470 0.034 0.000 0.273 69 S C 0.373 175.005 174.600 0.053 0.000 1.274 69 S CA 0.382 58.607 58.200 0.041 0.000 1.023 69 S CB 1.440 64.666 63.200 0.043 0.000 0.962 69 S HN -0.789 7.635 8.310 0.039 -0.091 0.523 70 G N 0.805 109.637 108.800 0.053 0.000 2.616 70 G HA2 0.221 4.254 3.960 0.053 0.000 0.268 70 G HA3 0.221 4.357 3.960 0.059 -0.141 0.268 70 G C -1.123 173.851 174.900 0.124 0.000 1.213 70 G CA -0.423 44.719 45.100 0.070 0.000 0.926 70 G HN 0.011 8.398 8.290 0.046 -0.069 0.523 71 T N 3.753 118.423 114.554 0.193 0.000 2.753 71 T HA 0.112 4.576 4.350 0.190 0.000 0.297 71 T C -0.763 174.068 174.700 0.218 0.000 0.981 71 T CA 0.368 62.610 62.100 0.237 0.000 0.956 71 T CB 0.854 69.932 68.868 0.350 0.000 0.936 71 T HN 0.067 8.432 8.240 0.209 0.000 0.463 72 A N 9.555 132.477 122.820 0.170 0.000 2.425 72 A HA 0.554 5.142 4.320 0.151 -0.178 0.249 72 A C -1.420 176.281 177.584 0.195 0.000 1.084 72 A CA -0.128 52.002 52.037 0.155 0.000 0.781 72 A CB 1.010 20.074 19.000 0.106 0.000 1.019 72 A HN 0.773 9.010 8.150 0.145 0.000 0.490 73 L N -4.139 117.204 121.223 0.199 0.000 2.765 73 L HA 1.058 5.671 4.340 0.242 -0.128 0.263 73 L C -1.434 175.573 176.870 0.229 0.000 1.068 73 L CA -1.468 53.520 54.840 0.245 0.000 0.903 73 L CB 3.094 45.324 42.059 0.285 0.000 1.512 73 L HN 0.196 8.532 8.230 0.177 0.000 0.404 74 G N -3.307 105.660 108.800 0.279 0.000 2.632 74 G HA2 0.693 4.888 3.960 0.132 0.000 0.292 74 G HA3 0.693 4.730 3.960 0.128 0.000 0.292 74 G C -3.429 171.688 174.900 0.361 0.000 1.465 74 G CA 0.904 46.133 45.100 0.216 0.000 0.824 74 G HN 0.090 8.567 8.290 0.313 0.000 0.509 75 W N -2.719 118.641 121.300 0.100 0.000 3.066 75 W HA 0.655 5.446 4.660 0.064 -0.093 0.330 75 W C -3.173 173.429 176.519 0.138 0.000 1.253 75 W CA -1.510 55.878 57.345 0.073 0.000 1.187 75 W CB 2.210 31.666 29.460 -0.006 0.000 1.434 75 W HN 0.486 8.593 8.180 -0.122 0.000 0.572 76 T N 1.334 116.047 114.554 0.265 0.000 2.893 76 T HA 0.875 5.470 4.350 0.079 -0.198 0.291 76 T C -1.499 173.271 174.700 0.117 0.000 1.028 76 T CA -0.492 61.686 62.100 0.130 0.000 0.995 76 T CB 3.163 72.059 68.868 0.047 0.000 1.051 76 T HN 0.397 8.834 8.240 0.328 0.000 0.470 77 V N 3.965 123.844 119.914 -0.059 0.000 2.623 77 V HA 0.343 4.470 4.120 -0.224 -0.141 0.304 77 V C -2.298 173.437 176.094 -0.600 0.000 1.054 77 V CA -1.134 60.944 62.300 -0.371 0.000 0.882 77 V CB 3.733 35.075 31.823 -0.803 0.000 1.002 77 V HN 0.280 8.418 8.190 -0.086 0.000 0.424 78 A N 5.261 127.827 122.820 -0.424 0.000 2.276 78 A HA 0.540 4.809 4.320 -0.266 -0.109 0.316 78 A C -0.195 177.183 177.584 -0.344 0.000 1.229 78 A CA -1.628 50.242 52.037 -0.278 0.000 0.851 78 A CB 1.562 20.513 19.000 -0.081 0.000 1.165 78 A HN 0.685 8.665 8.150 -0.283 0.000 0.513 79 W N 5.298 126.532 121.300 -0.110 0.000 1.395 79 W HA -0.089 4.227 4.660 -0.574 0.000 0.451 79 W C -1.403 175.126 176.519 0.017 0.000 0.619 79 W CA -1.342 55.842 57.345 -0.268 0.000 2.212 79 W CB -0.897 28.339 29.460 -0.373 0.000 1.537 79 W HN 0.495 8.635 8.180 -0.067 0.000 0.275 80 K N 1.427 122.043 120.400 0.361 0.000 2.443 80 K HA 0.685 5.376 4.320 0.300 -0.192 0.252 80 K C -1.765 175.034 176.600 0.332 0.000 0.933 80 K CA -1.173 55.297 56.287 0.304 0.000 0.792 80 K CB 3.065 35.644 32.500 0.132 0.000 1.185 80 K HN -0.444 7.922 8.250 0.310 0.070 0.425 81 N N 5.096 123.919 118.700 0.206 0.000 3.344 81 N HA 0.217 4.957 4.740 0.001 0.000 0.296 81 N C -0.660 174.811 175.510 -0.064 0.000 1.571 81 N CA -0.973 52.074 53.050 -0.005 0.000 0.844 81 N CB 0.988 39.303 38.487 -0.287 0.000 1.718 81 N HN 0.583 9.093 8.380 0.217 0.000 0.589 82 N N -1.552 117.019 118.700 -0.215 0.000 2.519 82 N HA -0.090 4.516 4.740 -0.223 0.000 0.186 82 N C 0.027 175.253 175.510 -0.474 0.000 1.062 82 N CA 2.239 55.060 53.050 -0.381 0.000 0.910 82 N CB -0.443 37.700 38.487 -0.574 0.000 0.958 82 N HN 0.151 8.404 8.380 -0.212 0.000 0.445 83 Y N -2.327 117.960 120.300 -0.022 0.000 2.396 83 Y HA -0.006 4.547 4.550 0.004 0.000 0.292 83 Y C 0.198 176.121 175.900 0.037 0.000 1.128 83 Y CA 1.843 59.946 58.100 0.004 0.000 1.194 83 Y CB 1.219 39.675 38.460 -0.006 0.000 1.124 83 Y HN -0.213 8.244 8.280 -0.107 -0.241 0.543 84 R N -3.913 116.726 120.500 0.231 0.000 2.817 84 R HA 0.254 4.667 4.340 0.122 0.000 0.268 84 R C -2.624 173.768 176.300 0.153 0.000 1.027 84 R CA -1.553 54.653 56.100 0.178 0.000 0.928 84 R CB 4.163 34.590 30.300 0.212 0.000 1.228 84 R HN 0.028 8.771 8.270 0.252 -0.323 0.469 85 N N -0.030 118.694 118.700 0.040 0.000 2.558 85 N HA 0.279 5.181 4.740 0.020 -0.150 0.285 85 N C -0.830 174.523 175.510 -0.262 0.000 1.112 85 N CA 0.135 53.119 53.050 -0.109 0.000 0.857 85 N CB 0.616 38.955 38.487 -0.247 0.000 1.376 85 N HN 0.146 8.538 8.380 0.020 0.000 0.526 86 A N 4.666 127.411 122.820 -0.125 0.000 2.275 86 A HA 0.103 4.380 4.320 -0.072 0.000 0.212 86 A C -0.097 177.468 177.584 -0.032 0.000 1.201 86 A CA 0.092 52.078 52.037 -0.084 0.000 0.843 86 A CB 0.642 19.608 19.000 -0.057 0.000 0.873 86 A HN 0.520 8.674 8.150 0.008 0.000 0.492 87 H N -1.923 117.196 119.070 0.082 0.000 2.677 87 H HA -0.366 4.230 4.556 0.067 0.000 0.321 87 H C -1.875 173.486 175.328 0.055 0.000 1.171 87 H CA 1.052 57.136 56.048 0.060 0.000 1.139 87 H CB -2.958 26.824 29.762 0.034 0.000 1.515 87 H HN -0.302 7.950 8.280 -0.362 -0.189 0.423 88 S N -4.827 110.970 115.700 0.163 0.000 2.625 88 S HA 0.914 5.569 4.470 0.111 -0.118 0.271 88 S C -2.540 172.202 174.600 0.237 0.000 1.161 88 S CA -1.064 57.233 58.200 0.163 0.000 0.820 88 S CB 4.193 67.458 63.200 0.108 0.000 1.137 88 S HN -0.291 8.116 8.310 0.162 0.000 0.470 89 A N -1.295 121.629 122.820 0.174 0.000 2.520 89 A HA 0.851 5.278 4.320 -0.073 -0.151 0.298 89 A C -2.345 175.246 177.584 0.012 0.000 1.051 89 A CA -0.318 51.742 52.037 0.039 0.000 0.690 89 A CB 3.896 22.878 19.000 -0.030 0.000 1.281 89 A HN 0.665 8.887 8.150 0.120 0.000 0.402 90 T N 3.551 118.042 114.554 -0.105 0.000 2.863 90 T HA 1.025 5.436 4.350 -0.235 -0.202 0.285 90 T C -0.793 173.672 174.700 -0.392 0.000 1.009 90 T CA -1.154 60.758 62.100 -0.313 0.000 0.989 90 T CB 2.706 71.198 68.868 -0.626 0.000 1.004 90 T HN 0.653 8.751 8.240 -0.236 0.000 0.455 91 T N 1.543 115.862 114.554 -0.392 0.000 2.841 91 T HA 0.793 5.244 4.350 -0.155 -0.195 0.283 91 T C -1.340 173.146 174.700 -0.357 0.000 1.000 91 T CA -1.971 59.978 62.100 -0.252 0.000 0.977 91 T CB 2.551 71.343 68.868 -0.127 0.000 0.979 91 T HN 0.509 8.537 8.240 -0.354 0.000 0.446 92 W N 4.676 125.614 121.300 -0.603 0.000 2.573 92 W HA 0.479 5.129 4.660 -0.263 -0.147 0.326 92 W C -1.289 174.939 176.519 -0.484 0.000 1.049 92 W CA -1.430 55.531 57.345 -0.639 0.000 1.220 92 W CB 3.501 32.113 29.460 -1.414 0.000 1.373 92 W HN 0.875 8.888 8.180 -0.279 0.000 0.507 93 S N 1.530 117.203 115.700 -0.045 0.000 2.532 93 S HA 0.805 5.429 4.470 0.018 -0.143 0.299 93 S C -1.016 173.623 174.600 0.065 0.000 1.105 93 S CA -1.660 56.545 58.200 0.008 0.000 1.018 93 S CB 1.607 64.809 63.200 0.002 0.000 1.021 93 S HN 0.481 8.793 8.310 0.004 0.000 0.483 94 G N 3.658 112.520 108.800 0.104 0.000 2.450 94 G HA2 0.563 4.584 3.960 0.102 0.000 0.273 94 G HA3 0.563 4.796 3.960 0.162 -0.176 0.273 94 G C -3.510 171.478 174.900 0.146 0.000 1.221 94 G CA 0.838 46.016 45.100 0.130 0.000 0.900 94 G HN 0.327 8.685 8.290 0.115 0.000 0.483 95 Q N -2.892 117.001 119.800 0.154 0.000 2.377 95 Q HA 0.798 5.426 4.340 0.187 -0.176 0.279 95 Q C -2.570 173.536 176.000 0.175 0.000 1.049 95 Q CA -1.966 53.934 55.803 0.161 0.000 0.825 95 Q CB 4.471 33.278 28.738 0.116 0.000 1.401 95 Q HN -0.008 8.354 8.270 0.154 0.000 0.404 96 Y N 3.447 123.787 120.300 0.067 0.000 2.323 96 Y HA 0.562 5.269 4.550 0.013 -0.150 0.331 96 Y C -2.266 173.678 175.900 0.074 0.000 1.092 96 Y CA -1.491 56.632 58.100 0.038 0.000 1.150 96 Y CB 2.466 40.927 38.460 0.002 0.000 1.200 96 Y HN 0.740 9.086 8.280 0.300 0.114 0.472 97 V N 7.381 126.890 119.914 -0.675 0.000 2.483 97 V HA 0.346 4.238 4.120 -0.380 0.000 0.297 97 V C -1.726 173.920 176.094 -0.746 0.000 1.027 97 V CA -1.319 60.679 62.300 -0.504 0.000 0.855 97 V CB 2.509 34.226 31.823 -0.178 0.000 0.995 97 V HN 0.512 8.339 8.190 -0.605 0.000 0.424 98 G N 4.216 112.645 108.800 -0.617 0.000 2.557 98 G HA2 0.501 4.301 3.960 -0.267 0.000 0.302 98 G HA3 0.501 4.430 3.960 -0.052 0.000 0.302 98 G C -0.997 173.865 174.900 -0.064 0.000 1.311 98 G CA -1.424 43.516 45.100 -0.267 0.000 1.030 98 G HN 0.352 8.389 8.290 -0.421 0.000 0.509 99 G N -2.492 106.322 108.800 0.024 0.000 2.315 99 G HA2 -0.201 3.780 3.960 0.034 0.000 0.296 99 G HA3 -0.201 3.767 3.960 0.013 0.000 0.296 99 G C -0.740 174.184 174.900 0.040 0.000 1.289 99 G CA -0.580 44.536 45.100 0.028 0.000 0.996 99 G HN -0.177 8.156 8.290 0.073 0.000 0.487 100 A N -0.809 122.030 122.820 0.031 0.000 1.940 100 A HA -0.106 4.230 4.320 0.028 0.000 0.219 100 A C 0.042 177.647 177.584 0.036 0.000 1.176 100 A CA 1.895 53.950 52.037 0.030 0.000 0.631 100 A CB 0.177 19.191 19.000 0.023 0.000 0.814 100 A HN 0.139 8.305 8.150 0.026 0.000 0.446 101 E N -2.190 118.036 120.200 0.044 0.000 2.437 101 E HA 0.071 4.456 4.350 0.059 0.000 0.238 101 E C -1.923 174.730 176.600 0.088 0.000 0.969 101 E CA -1.013 55.424 56.400 0.062 0.000 0.759 101 E CB -1.259 28.476 29.700 0.057 0.000 1.283 101 E HN -0.342 8.026 8.360 0.038 0.014 0.416 102 A N 4.537 127.433 122.820 0.127 0.000 2.351 102 A HA 0.087 4.577 4.320 0.055 -0.137 0.257 102 A C -0.906 176.885 177.584 0.345 0.000 1.087 102 A CA -0.065 52.085 52.037 0.188 0.000 0.798 102 A CB 1.641 20.852 19.000 0.351 0.000 1.033 102 A HN 0.264 8.480 8.150 0.110 0.000 0.488 103 R N -2.621 118.029 120.500 0.250 0.000 2.739 103 R HA 0.816 5.639 4.340 0.535 -0.162 0.271 103 R C -1.609 174.773 176.300 0.137 0.000 1.010 103 R CA -1.187 55.093 56.100 0.301 0.000 0.897 103 R CB 4.887 35.301 30.300 0.190 0.000 1.236 103 R HN 0.362 8.651 8.270 0.032 0.000 0.466 104 I N 0.312 120.975 120.570 0.156 0.000 2.439 104 I HA 0.436 4.839 4.170 0.111 -0.167 0.283 104 I C -1.870 174.417 176.117 0.282 0.000 1.023 104 I CA -1.149 60.226 61.300 0.125 0.000 1.100 104 I CB 2.255 40.209 38.000 -0.077 0.000 1.238 104 I HN 0.210 8.589 8.210 0.282 0.000 0.445 105 N N 9.551 128.382 118.700 0.219 0.000 2.425 105 N HA 0.481 5.363 4.740 0.237 0.000 0.268 105 N C -1.005 174.644 175.510 0.232 0.000 0.991 105 N CA -0.059 53.118 53.050 0.212 0.000 0.931 105 N CB 2.337 40.904 38.487 0.134 0.000 1.130 105 N HN 0.173 8.655 8.380 0.171 0.000 0.493 106 T N -0.239 114.485 114.554 0.285 0.000 2.883 106 T HA 0.685 5.287 4.350 0.193 -0.136 0.296 106 T C -1.527 173.312 174.700 0.232 0.000 1.117 106 T CA -2.178 60.086 62.100 0.274 0.000 1.006 106 T CB 3.380 72.494 68.868 0.410 0.000 1.191 106 T HN 0.588 9.010 8.240 0.304 0.000 0.508 107 Q N 0.453 120.334 119.800 0.135 0.000 2.375 107 Q HA 0.736 5.194 4.340 -0.047 -0.147 0.271 107 Q C -1.523 174.458 176.000 -0.032 0.000 1.074 107 Q CA -1.017 54.778 55.803 -0.013 0.000 0.808 107 Q CB 4.687 33.392 28.738 -0.056 0.000 1.327 107 Q HN 0.174 8.515 8.270 0.118 0.000 0.441 108 W N -1.114 120.085 121.300 -0.169 0.000 2.975 108 W HA 0.960 5.533 4.660 -0.388 -0.145 0.342 108 W C -2.944 173.392 176.519 -0.305 0.000 1.168 108 W CA -2.939 54.172 57.345 -0.390 0.000 1.141 108 W CB 3.459 32.421 29.460 -0.830 0.000 1.445 108 W HN 0.974 8.641 8.180 -0.671 0.110 0.560 109 L N -0.511 120.749 121.223 0.062 0.000 2.406 109 L HA 0.765 5.336 4.340 0.039 -0.208 0.272 109 L C -1.801 175.103 176.870 0.057 0.000 0.980 109 L CA -1.216 53.651 54.840 0.044 0.000 0.831 109 L CB 2.874 44.907 42.059 -0.044 0.000 1.253 109 L HN 0.290 8.487 8.230 -0.055 0.000 0.406 110 L N 5.622 126.928 121.223 0.139 0.000 2.316 110 L HA 0.685 5.158 4.340 -0.059 -0.168 0.280 110 L C -1.643 175.233 176.870 0.010 0.000 1.006 110 L CA -1.540 53.310 54.840 0.018 0.000 0.836 110 L CB 2.627 44.681 42.059 -0.008 0.000 1.221 110 L HN 0.675 9.029 8.230 0.207 0.000 0.418 111 T N 9.097 123.648 114.554 -0.004 0.000 2.794 111 T HA 0.642 5.194 4.350 -0.019 -0.214 0.280 111 T C -0.670 174.032 174.700 0.004 0.000 0.987 111 T CA -0.670 61.425 62.100 -0.008 0.000 0.993 111 T CB 1.773 70.635 68.868 -0.011 0.000 0.939 111 T HN 0.652 8.888 8.240 -0.007 0.000 0.449 112 S N 5.891 121.584 115.700 -0.012 0.000 2.593 112 S HA 0.430 5.038 4.470 0.034 -0.117 0.297 112 S C -0.433 174.168 174.600 0.002 0.000 1.112 112 S CA -0.592 57.610 58.200 0.003 0.000 1.043 112 S CB 2.694 65.880 63.200 -0.023 0.000 1.054 112 S HN 0.204 8.495 8.310 -0.032 0.000 0.516 113 G N 1.153 109.970 108.800 0.027 0.000 2.380 113 G HA2 0.022 3.983 3.960 0.001 0.000 0.262 113 G HA3 0.022 3.991 3.960 0.014 0.000 0.262 113 G C -1.438 173.449 174.900 -0.021 0.000 1.243 113 G CA 0.451 45.555 45.100 0.007 0.000 0.865 113 G HN 0.231 8.559 8.290 0.065 0.000 0.513 114 T N 0.115 114.650 114.554 -0.031 0.000 2.838 114 T HA 0.256 4.579 4.350 -0.045 0.000 0.292 114 T C -0.719 173.963 174.700 -0.030 0.000 1.113 114 T CA -1.739 60.335 62.100 -0.043 0.000 1.008 114 T CB 2.595 71.423 68.868 -0.067 0.000 1.259 114 T HN -0.339 7.886 8.240 -0.025 0.000 0.520 115 T N -2.702 111.838 114.554 -0.024 0.000 2.847 115 T HA 0.081 4.425 4.350 -0.010 0.000 0.279 115 T C 1.176 175.880 174.700 0.006 0.000 0.984 115 T CA -1.558 60.538 62.100 -0.008 0.000 0.988 115 T CB 1.236 70.103 68.868 -0.002 0.000 1.040 115 T HN -0.135 8.086 8.240 -0.030 0.000 0.528 116 E N 1.301 121.512 120.200 0.017 0.000 2.085 116 E HA -0.378 3.991 4.350 0.031 0.000 0.194 116 E C 2.529 179.169 176.600 0.068 0.000 0.994 116 E CA 3.457 59.878 56.400 0.035 0.000 0.801 116 E CB -0.655 29.064 29.700 0.031 0.000 0.743 116 E HN 0.542 8.910 8.360 0.013 0.000 0.453 117 A N -1.206 121.655 122.820 0.069 0.000 2.024 117 A HA -0.190 4.205 4.320 0.125 0.000 0.220 117 A C 0.715 178.410 177.584 0.186 0.000 1.164 117 A CA 2.536 54.642 52.037 0.115 0.000 0.643 117 A CB -0.502 18.550 19.000 0.086 0.000 0.806 117 A HN 0.279 8.443 8.150 0.047 0.013 0.451 118 N N -4.519 114.230 118.700 0.081 0.000 2.187 118 N HA 0.124 4.849 4.740 -0.025 0.000 0.212 118 N C 0.854 176.261 175.510 -0.171 0.000 1.152 118 N CA -0.271 52.747 53.050 -0.054 0.000 0.872 118 N CB 0.837 39.262 38.487 -0.105 0.000 1.025 118 N HN -0.594 7.660 8.380 0.043 0.151 0.514 119 A N 1.902 124.714 122.820 -0.013 0.000 1.986 119 A HA -0.161 4.123 4.320 -0.060 0.000 0.220 119 A C 1.874 179.446 177.584 -0.021 0.000 1.171 119 A CA 3.004 55.030 52.037 -0.018 0.000 0.640 119 A CB -0.524 18.502 19.000 0.043 0.000 0.811 119 A HN -0.143 7.851 8.150 0.059 0.192 0.451 120 W N -4.966 116.330 121.300 -0.006 0.000 2.387 120 W HA -0.244 4.411 4.660 -0.009 0.000 0.272 120 W C -0.359 176.155 176.519 -0.008 0.000 1.224 120 W CA 0.632 57.972 57.345 -0.008 0.000 1.210 120 W CB -1.074 28.381 29.460 -0.008 0.000 1.125 120 W HN 0.166 8.516 8.180 0.313 0.018 0.572 121 K N -2.244 117.655 120.400 -0.835 0.000 2.861 121 K HA 0.325 4.353 4.320 -0.486 0.000 0.210 121 K C -0.247 176.102 176.600 -0.418 0.000 1.112 121 K CA -0.775 55.031 56.287 -0.800 0.000 1.076 121 K CB -0.057 31.537 32.500 -1.511 0.000 0.853 121 K HN -0.639 6.872 8.250 -0.989 0.145 0.463 122 S N -0.292 115.257 115.700 -0.252 0.000 2.478 122 S HA -0.086 4.285 4.470 -0.164 0.000 0.222 122 S C -0.285 174.259 174.600 -0.092 0.000 1.008 122 S CA 1.383 59.494 58.200 -0.150 0.000 0.928 122 S CB 1.200 64.343 63.200 -0.095 0.000 0.781 122 S HN -0.388 7.729 8.310 -0.208 0.068 0.518 123 T N 4.367 118.873 114.554 -0.079 0.000 2.792 123 T HA 0.573 5.143 4.350 -0.028 -0.237 0.280 123 T C -0.352 174.327 174.700 -0.035 0.000 0.990 123 T CA -0.313 61.762 62.100 -0.042 0.000 0.960 123 T CB 1.976 70.825 68.868 -0.032 0.000 0.939 123 T HN -0.698 7.486 8.240 -0.094 0.000 0.439 124 L N 6.440 127.667 121.223 0.008 0.000 2.344 124 L HA 0.537 4.859 4.340 -0.030 0.000 0.272 124 L C -1.335 175.511 176.870 -0.041 0.000 1.035 124 L CA -0.787 54.067 54.840 0.024 0.000 0.807 124 L CB 2.482 44.634 42.059 0.155 0.000 1.237 124 L HN 0.482 8.732 8.230 0.034 0.000 0.442 125 V N 0.714 120.470 119.914 -0.263 0.000 2.876 125 V HA 0.959 4.935 4.120 -0.587 -0.208 0.312 125 V C -1.476 174.009 176.094 -1.014 0.000 1.085 125 V CA -2.445 59.522 62.300 -0.554 0.000 0.945 125 V CB 3.686 35.323 31.823 -0.310 0.000 1.017 125 V HN 0.038 8.097 8.190 -0.219 0.000 0.428 126 G N 4.988 112.778 108.800 -1.683 0.000 2.634 126 G HA2 0.302 3.825 3.960 -0.728 0.000 0.309 126 G HA3 0.302 3.050 3.960 -2.021 0.000 0.309 126 G C -3.340 170.878 174.900 -1.137 0.000 1.299 126 G CA 0.251 44.429 45.100 -1.535 0.000 0.798 126 G HN 0.094 7.399 8.290 -1.641 0.000 0.490 127 H N -3.931 114.800 119.070 -0.565 0.000 2.930 127 H HA 0.640 5.200 4.556 -0.155 -0.097 0.371 127 H C -1.818 173.630 175.328 0.201 0.000 1.169 127 H CA -1.593 54.367 56.048 -0.146 0.000 1.157 127 H CB 3.583 33.282 29.762 -0.105 0.000 1.789 127 H HN 0.053 7.918 8.280 -0.693 0.000 0.547 128 D N 0.808 121.417 120.400 0.347 0.000 2.819 128 D HA 0.346 5.174 4.640 0.082 -0.139 0.232 128 D C -1.220 175.130 176.300 0.083 0.000 1.160 128 D CA -0.225 53.887 54.000 0.187 0.000 0.858 128 D CB 4.679 45.611 40.800 0.220 0.000 1.610 128 D HN 0.377 8.877 8.370 0.399 0.109 0.481 129 T N 4.654 119.165 114.554 -0.071 0.000 2.824 129 T HA 0.626 5.252 4.350 0.175 -0.171 0.282 129 T C -1.081 173.564 174.700 -0.091 0.000 0.993 129 T CA -0.200 61.926 62.100 0.044 0.000 0.967 129 T CB 1.839 70.770 68.868 0.106 0.000 0.960 129 T HN 0.330 8.797 8.240 -0.122 -0.300 0.441 130 F N 6.434 126.539 119.950 0.259 0.000 2.480 130 F HA 0.769 5.704 4.527 0.355 -0.195 0.329 130 F C -0.341 175.749 175.800 0.484 0.000 1.091 130 F CA -1.468 56.742 58.000 0.349 0.000 0.972 130 F CB 3.640 42.823 39.000 0.305 0.000 1.150 130 F HN 0.871 9.436 8.300 0.442 0.000 0.467 131 T N -3.708 111.281 114.554 0.726 0.000 2.838 131 T HA 0.559 5.358 4.350 0.749 0.000 0.292 131 T C 0.069 175.042 174.700 0.454 0.000 1.113 131 T CA -1.984 60.471 62.100 0.592 0.000 1.008 131 T CB 3.473 72.537 68.868 0.326 0.000 1.259 131 T HN 0.582 9.224 8.240 0.671 0.000 0.520 132 K N 1.041 121.502 120.400 0.103 0.000 2.437 132 K HA 0.299 4.672 4.320 -0.129 -0.130 0.198 132 K C -0.693 175.971 176.600 0.106 0.000 1.024 132 K CA -0.099 56.132 56.287 -0.094 0.000 1.148 132 K CB 0.101 32.361 32.500 -0.399 0.000 0.860 132 K HN 0.497 8.803 8.250 0.094 0.000 0.515 133 V N 0.000 120.008 119.914 0.157 0.000 2.409 133 V HA 0.000 4.118 4.120 -0.004 0.000 0.244 133 V CA 0.000 62.322 62.300 0.036 0.000 1.235 133 V CB 0.000 31.840 31.823 0.028 0.000 1.184 133 V HN 0.000 8.231 8.190 0.204 0.082 0.556