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 2rtp_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 4.470 4.320 0.250 0.000 0.244 13 A C 0.000 177.765 177.584 0.301 0.000 1.274 13 A CA 0.000 52.288 52.037 0.419 0.000 0.836 13 A CB 0.000 19.152 19.000 0.254 0.000 0.831 14 E N 2.380 122.679 120.200 0.165 0.000 2.391 14 E HA -0.092 4.300 4.350 0.069 0.000 0.255 14 E C 0.344 176.959 176.600 0.024 0.000 1.187 14 E CA -0.419 56.033 56.400 0.087 0.000 0.941 14 E CB 0.306 30.062 29.700 0.094 0.000 1.010 14 E HN -0.323 8.128 8.360 0.151 0.000 0.458 15 A N 0.836 123.637 122.820 -0.032 0.000 1.283 15 A HA -0.427 3.851 4.320 -0.070 0.000 0.229 15 A C 1.599 179.125 177.584 -0.095 0.000 0.488 15 A CA 2.178 54.182 52.037 -0.055 0.000 1.094 15 A CB -1.808 17.185 19.000 -0.011 0.000 1.470 15 A HN 0.786 8.921 8.150 -0.024 0.000 0.723 16 G N -1.272 107.507 108.800 -0.034 0.000 2.928 16 G HA2 -0.449 3.519 3.960 0.014 0.000 0.223 16 G HA3 -0.449 3.600 3.960 0.148 0.000 0.223 16 G C 1.174 176.053 174.900 -0.035 0.000 1.074 16 G CA 2.106 47.219 45.100 0.022 0.000 0.703 16 G HN 0.351 8.594 8.290 0.014 0.055 0.629 17 I N 1.370 121.748 120.570 -0.321 0.000 2.286 17 I HA -0.296 3.772 4.170 -0.170 0.000 0.245 17 I C 0.103 176.257 176.117 0.063 0.000 1.104 17 I CA 2.224 63.331 61.300 -0.322 0.000 1.397 17 I CB -0.012 37.585 38.000 -0.671 0.000 1.072 17 I HN -0.393 7.505 8.210 -0.374 0.088 0.417 18 T N 1.767 116.271 114.554 -0.084 0.000 2.905 18 T HA -0.401 4.095 4.350 -0.048 -0.174 0.299 18 T C -0.245 174.427 174.700 -0.046 0.000 1.024 18 T CA 3.465 65.532 62.100 -0.054 0.000 1.151 18 T CB -0.083 68.730 68.868 -0.092 0.000 0.987 18 T HN -0.127 7.916 8.240 -0.175 0.092 0.535 19 G N 4.382 113.134 108.800 -0.079 0.000 2.340 19 G HA2 -0.173 3.660 3.960 -0.212 0.000 0.282 19 G HA3 -0.173 3.564 3.960 -0.373 0.000 0.282 19 G C -3.169 171.531 174.900 -0.333 0.000 1.312 19 G CA -0.010 44.940 45.100 -0.251 0.000 0.942 19 G HN 0.061 8.323 8.290 -0.046 0.000 0.495 20 T N 2.149 116.384 114.554 -0.531 0.000 2.794 20 T HA 0.740 4.936 4.350 -0.535 -0.167 0.280 20 T C -1.036 173.085 174.700 -0.965 0.000 0.987 20 T CA 0.692 62.419 62.100 -0.622 0.000 0.993 20 T CB 1.169 69.748 68.868 -0.482 0.000 0.939 20 T HN 0.035 7.956 8.240 -0.531 0.000 0.449 21 W N 5.119 125.741 121.300 -1.130 0.000 2.799 21 W HA 0.425 4.914 4.660 -0.503 -0.131 0.349 21 W C -1.614 174.365 176.519 -0.901 0.000 1.100 21 W CA -1.322 55.460 57.345 -0.940 0.000 1.174 21 W CB 3.500 32.215 29.460 -1.242 0.000 1.427 21 W HN 0.999 8.553 8.180 -1.043 0.000 0.547 22 Y N -3.041 117.360 120.300 0.168 0.000 2.576 22 Y HA 0.908 5.781 4.550 0.176 -0.218 0.346 22 Y C -0.990 175.124 175.900 0.357 0.000 1.018 22 Y CA -1.934 56.288 58.100 0.203 0.000 1.050 22 Y CB 3.985 42.493 38.460 0.079 0.000 1.280 22 Y HN 1.030 9.545 8.280 0.392 0.000 0.474 23 N N -0.461 118.494 118.700 0.424 0.000 2.653 23 N HA 0.679 5.636 4.740 0.062 -0.180 0.294 23 N C 1.875 177.452 175.510 0.112 0.000 1.305 23 N CA -2.745 50.370 53.050 0.108 0.000 0.827 23 N CB 2.509 40.861 38.487 -0.225 0.000 1.415 23 N HN -0.208 8.424 8.380 0.421 0.000 0.546 24 Q N 0.196 120.024 119.800 0.046 0.000 2.077 24 Q HA -0.316 4.064 4.340 0.066 0.000 0.206 24 Q C 0.641 176.685 176.000 0.073 0.000 0.989 24 Q CA 2.556 58.396 55.803 0.062 0.000 0.853 24 Q CB -0.866 27.904 28.738 0.053 0.000 0.907 24 Q HN 0.372 8.630 8.270 -0.019 0.000 0.418 25 L N -3.184 118.091 121.223 0.085 0.000 2.187 25 L HA -0.168 4.215 4.340 0.072 0.000 0.213 25 L C 1.112 178.046 176.870 0.106 0.000 1.100 25 L CA 0.762 55.658 54.840 0.094 0.000 0.765 25 L CB -0.051 42.077 42.059 0.115 0.000 0.904 25 L HN -0.471 7.848 8.230 0.079 -0.041 0.437 26 G N -4.272 104.611 108.800 0.139 0.000 2.192 26 G HA2 -0.308 3.736 3.960 0.140 0.000 0.193 26 G HA3 -0.308 3.718 3.960 0.109 0.000 0.193 26 G C -0.333 174.694 174.900 0.211 0.000 0.999 26 G CA -0.476 44.713 45.100 0.148 0.000 0.659 26 G HN -0.121 8.331 8.290 0.154 -0.069 0.503 27 S N 2.972 118.812 115.700 0.234 0.000 2.566 27 S HA -0.085 4.595 4.470 0.189 -0.096 0.280 27 S C -0.789 173.904 174.600 0.154 0.000 1.343 27 S CA 2.191 60.525 58.200 0.223 0.000 1.036 27 S CB 0.755 64.175 63.200 0.367 0.000 0.866 27 S HN -0.199 8.425 8.310 0.231 -0.175 0.526 28 T N 2.991 117.506 114.554 -0.065 0.000 2.912 28 T HA 0.994 5.357 4.350 -0.328 -0.209 0.299 28 T C -1.596 172.853 174.700 -0.419 0.000 1.052 28 T CA -0.589 61.356 62.100 -0.259 0.000 0.996 28 T CB 2.897 71.659 68.868 -0.175 0.000 1.070 28 T HN 0.622 8.800 8.240 -0.103 0.000 0.465 29 F N 2.309 121.928 119.950 -0.552 0.000 2.591 29 F HA 1.025 5.441 4.527 -0.473 -0.173 0.309 29 F C -3.237 172.337 175.800 -0.376 0.000 1.098 29 F CA -2.558 55.105 58.000 -0.562 0.000 0.937 29 F CB 3.590 42.100 39.000 -0.817 0.000 1.250 29 F HN 0.659 8.488 8.300 -0.785 0.000 0.447 30 I N 1.363 121.877 120.570 -0.094 0.000 2.406 30 I HA 0.743 4.967 4.170 -0.223 -0.188 0.290 30 I C -1.956 174.153 176.117 -0.013 0.000 0.999 30 I CA -1.236 59.988 61.300 -0.126 0.000 1.124 30 I CB 2.506 40.429 38.000 -0.129 0.000 1.289 30 I HN 0.712 8.910 8.210 -0.021 0.000 0.441 31 V N 7.624 127.539 119.914 0.001 0.000 3.040 31 V HA 0.812 5.054 4.120 -0.084 -0.172 0.312 31 V C -2.217 173.836 176.094 -0.068 0.000 1.115 31 V CA -2.878 59.394 62.300 -0.048 0.000 0.998 31 V CB 5.402 37.179 31.823 -0.076 0.000 1.042 31 V HN 0.916 9.099 8.190 -0.011 0.000 0.433 32 T N 8.047 122.546 114.554 -0.092 0.000 2.812 32 T HA 0.258 4.558 4.350 -0.084 0.000 0.282 32 T C -2.233 172.403 174.700 -0.108 0.000 0.990 32 T CA -0.543 61.507 62.100 -0.084 0.000 0.960 32 T CB 1.914 70.747 68.868 -0.058 0.000 0.948 32 T HN 0.724 8.901 8.240 -0.105 0.000 0.438 33 A N 7.741 130.477 122.820 -0.141 0.000 2.260 33 A HA 0.789 5.171 4.320 -0.168 -0.164 0.314 33 A C -0.818 176.760 177.584 -0.010 0.000 1.257 33 A CA -2.154 49.763 52.037 -0.201 0.000 0.871 33 A CB 1.560 20.257 19.000 -0.506 0.000 1.166 33 A HN 0.824 8.896 8.150 -0.129 0.000 0.522 34 G N 1.193 110.067 108.800 0.124 0.000 2.420 34 G HA2 0.191 4.191 3.960 0.066 0.000 0.284 34 G HA3 0.191 4.210 3.960 0.097 0.000 0.284 34 G C 0.254 175.267 174.900 0.189 0.000 1.177 34 G CA -1.190 43.982 45.100 0.120 0.000 0.841 34 G HN 0.408 8.802 8.290 0.173 0.000 0.527 35 A N 1.602 124.489 122.820 0.112 0.000 2.042 35 A HA -0.306 4.093 4.320 0.132 0.000 0.222 35 A C 0.063 177.674 177.584 0.046 0.000 1.167 35 A CA 2.307 54.400 52.037 0.094 0.000 0.649 35 A CB -0.182 18.847 19.000 0.048 0.000 0.809 35 A HN 0.479 8.673 8.150 0.073 0.000 0.457 36 D N -5.812 114.599 120.400 0.018 0.000 2.427 36 D HA -0.070 4.527 4.640 -0.072 0.000 0.224 36 D C -0.710 175.504 176.300 -0.142 0.000 1.157 36 D CA -0.047 53.921 54.000 -0.054 0.000 0.828 36 D CB 0.383 41.166 40.800 -0.028 0.000 0.974 36 D HN -0.425 7.930 8.370 0.045 0.042 0.498 37 G N -2.463 106.187 108.800 -0.250 0.000 2.179 37 G HA2 -0.370 2.945 3.960 -1.388 0.000 0.220 37 G HA3 -0.370 3.370 3.960 -0.367 0.000 0.220 37 G C -1.834 173.050 174.900 -0.027 0.000 0.990 37 G CA 0.104 44.916 45.100 -0.480 0.000 0.646 37 G HN -0.220 7.941 8.290 -0.114 0.060 0.517 38 A N 0.019 122.924 122.820 0.140 0.000 2.293 38 A HA 0.505 5.015 4.320 0.115 -0.121 0.302 38 A C -1.766 175.936 177.584 0.196 0.000 1.119 38 A CA -1.475 50.650 52.037 0.146 0.000 0.823 38 A CB 2.435 21.477 19.000 0.071 0.000 1.097 38 A HN -0.635 7.593 8.150 0.130 0.000 0.491 39 L N 1.436 122.723 121.223 0.106 0.000 2.381 39 L HA 1.001 5.532 4.340 -0.040 -0.214 0.274 39 L C -0.246 176.598 176.870 -0.043 0.000 0.988 39 L CA -1.489 53.348 54.840 -0.004 0.000 0.824 39 L CB 3.204 45.233 42.059 -0.050 0.000 1.263 39 L HN -0.063 8.221 8.230 0.091 0.000 0.410 40 T N -1.077 113.432 114.554 -0.076 0.000 2.916 40 T HA 0.830 5.295 4.350 -0.069 -0.156 0.305 40 T C -0.798 173.844 174.700 -0.096 0.000 1.119 40 T CA -2.088 59.970 62.100 -0.070 0.000 1.008 40 T CB 3.466 72.313 68.868 -0.035 0.000 1.129 40 T HN 0.433 8.620 8.240 -0.088 0.000 0.480 41 G N -0.196 108.551 108.800 -0.088 0.000 2.336 41 G HA2 0.262 4.187 3.960 -0.057 0.000 0.286 41 G HA3 0.262 4.383 3.960 -0.098 -0.220 0.286 41 G C -2.669 172.202 174.900 -0.050 0.000 1.269 41 G CA 0.943 45.997 45.100 -0.077 0.000 0.873 41 G HN -0.287 7.959 8.290 -0.074 0.000 0.494 42 T N -1.855 112.684 114.554 -0.025 0.000 2.907 42 T HA 0.931 5.480 4.350 0.056 -0.166 0.292 42 T C -2.392 172.359 174.700 0.084 0.000 1.043 42 T CA -2.156 59.966 62.100 0.037 0.000 1.003 42 T CB 3.533 72.419 68.868 0.029 0.000 1.084 42 T HN 0.091 8.310 8.240 -0.034 0.000 0.483 43 Y N 2.316 122.650 120.300 0.057 0.000 2.376 43 Y HA 0.453 5.220 4.550 0.124 -0.143 0.340 43 Y C -2.656 173.419 175.900 0.291 0.000 0.965 43 Y CA -1.562 56.618 58.100 0.133 0.000 1.078 43 Y CB 4.234 42.729 38.460 0.059 0.000 1.193 43 Y HN 0.964 9.301 8.280 0.277 0.110 0.452 44 E N 8.222 128.558 120.200 0.227 0.000 2.216 44 E HA 0.631 5.492 4.350 0.516 -0.201 0.260 44 E C -2.092 174.716 176.600 0.345 0.000 0.880 44 E CA -1.799 54.798 56.400 0.329 0.000 0.765 44 E CB 3.970 33.754 29.700 0.139 0.000 1.174 44 E HN 0.678 8.925 8.360 -0.188 0.000 0.417 45 S N 6.390 122.400 115.700 0.516 0.000 2.758 45 S HA 0.223 4.953 4.470 0.433 0.000 0.292 45 S C -0.771 173.967 174.600 0.229 0.000 1.131 45 S CA -1.579 56.871 58.200 0.417 0.000 0.997 45 S CB 1.301 64.702 63.200 0.336 0.000 1.111 45 S HN 0.438 9.110 8.310 0.604 0.000 0.552 46 A N 0.016 122.938 122.820 0.170 0.000 2.358 46 A HA 0.388 4.767 4.320 0.098 0.000 0.223 46 A C -0.436 177.176 177.584 0.047 0.000 1.218 46 A CA -0.270 51.829 52.037 0.102 0.000 0.942 46 A CB 1.444 20.506 19.000 0.104 0.000 1.005 46 A HN 0.196 8.465 8.150 0.199 0.000 0.514 47 V N -2.428 117.491 119.914 0.008 0.000 3.078 47 V HA 0.313 4.411 4.120 -0.037 0.000 0.311 47 V C -0.078 175.917 176.094 -0.164 0.000 1.138 47 V CA -1.408 60.857 62.300 -0.059 0.000 1.007 47 V CB 2.740 34.533 31.823 -0.051 0.000 1.045 47 V HN -0.685 7.520 8.190 0.025 0.000 0.432 48 G N 1.956 110.660 108.800 -0.161 0.000 2.660 48 G HA2 -0.368 3.478 3.960 -0.190 0.000 0.215 48 G HA3 -0.368 3.369 3.960 -0.371 0.000 0.215 48 G C -0.795 173.998 174.900 -0.179 0.000 1.345 48 G CA -0.444 44.517 45.100 -0.232 0.000 0.877 48 G HN 0.050 8.276 8.290 -0.107 0.000 0.549 49 N N 3.025 121.599 118.700 -0.211 0.000 3.188 49 N HA 0.040 4.749 4.740 -0.052 0.000 0.279 49 N C -1.817 173.632 175.510 -0.102 0.000 1.213 49 N CA -1.123 51.862 53.050 -0.108 0.000 1.138 49 N CB -1.398 37.038 38.487 -0.085 0.000 1.417 49 N HN 0.042 8.250 8.380 -0.287 0.000 0.526 50 A N 0.989 123.785 122.820 -0.041 0.000 2.475 50 A HA 0.400 4.902 4.320 0.304 0.000 0.301 50 A C -2.145 175.600 177.584 0.268 0.000 1.059 50 A CA -0.962 51.160 52.037 0.141 0.000 0.710 50 A CB 2.927 21.870 19.000 -0.094 0.000 1.288 50 A HN -0.467 7.611 8.150 -0.040 0.048 0.408 51 E N 5.207 125.674 120.200 0.445 0.000 2.404 51 E HA 0.163 4.610 4.350 0.162 0.000 0.298 51 E C -1.513 175.151 176.600 0.107 0.000 0.908 51 E CA 0.161 56.688 56.400 0.212 0.000 0.808 51 E CB 1.851 31.628 29.700 0.129 0.000 1.380 51 E HN 0.585 9.425 8.360 0.801 0.000 0.392 52 S N 1.692 117.443 115.700 0.085 0.000 3.983 52 S HA -0.314 4.146 4.470 -0.017 0.000 0.636 52 S C -1.342 173.281 174.600 0.038 0.000 1.724 52 S CA 0.616 58.800 58.200 -0.028 0.000 1.966 52 S CB -0.113 62.980 63.200 -0.178 0.000 0.329 52 S HN 0.269 8.663 8.310 0.140 0.000 1.703 53 R N 2.176 122.636 120.500 -0.067 0.000 2.459 53 R HA 0.385 5.035 4.340 0.199 -0.190 0.281 53 R C -0.630 175.540 176.300 -0.217 0.000 1.050 53 R CA 0.089 56.196 56.100 0.011 0.000 1.055 53 R CB 1.558 31.866 30.300 0.014 0.000 1.045 53 R HN 0.079 8.296 8.270 -0.088 0.000 0.495 54 Y N -1.228 119.168 120.300 0.159 0.000 2.545 54 Y HA 0.193 4.793 4.550 0.084 0.000 0.348 54 Y C -0.930 174.989 175.900 0.031 0.000 1.002 54 Y CA -1.166 56.986 58.100 0.088 0.000 1.039 54 Y CB 3.577 42.063 38.460 0.043 0.000 1.271 54 Y HN 0.509 8.919 8.280 0.378 0.097 0.467 55 V N 1.304 121.299 119.914 0.134 0.000 2.649 55 V HA 0.084 4.354 4.120 0.043 -0.124 0.292 55 V C -0.779 175.326 176.094 0.018 0.000 1.055 55 V CA 0.875 63.206 62.300 0.051 0.000 1.023 55 V CB 0.629 32.466 31.823 0.025 0.000 0.992 55 V HN 0.767 9.044 8.190 0.145 0.000 0.480 56 L N 1.633 122.849 121.223 -0.011 0.000 2.388 56 L HA 1.041 5.541 4.340 -0.005 -0.163 0.264 56 L C -1.652 175.196 176.870 -0.035 0.000 0.998 56 L CA -1.496 53.326 54.840 -0.030 0.000 0.817 56 L CB 4.390 46.379 42.059 -0.116 0.000 1.338 56 L HN 0.381 8.600 8.230 -0.019 0.000 0.414 57 T N 1.664 116.227 114.554 0.016 0.000 2.952 57 T HA 0.686 5.200 4.350 -0.010 -0.170 0.305 57 T C -1.265 173.488 174.700 0.088 0.000 1.064 57 T CA -1.363 60.750 62.100 0.021 0.000 1.008 57 T CB 2.272 71.151 68.868 0.018 0.000 1.078 57 T HN -0.111 8.167 8.240 0.063 0.000 0.459 58 G N 3.779 112.631 108.800 0.086 0.000 2.782 58 G HA2 0.741 4.790 3.960 0.149 0.000 0.304 58 G HA3 0.741 4.950 3.960 0.225 -0.115 0.304 58 G C -2.724 172.252 174.900 0.126 0.000 1.315 58 G CA 0.278 45.469 45.100 0.150 0.000 0.791 58 G HN 0.505 8.823 8.290 0.046 0.000 0.519 59 R N -3.549 117.046 120.500 0.158 0.000 2.707 59 R HA 1.137 5.790 4.340 0.172 -0.209 0.272 59 R C -1.763 174.675 176.300 0.231 0.000 1.011 59 R CA -2.176 54.015 56.100 0.152 0.000 0.893 59 R CB 4.840 35.181 30.300 0.069 0.000 1.233 59 R HN 0.372 8.753 8.270 0.184 0.000 0.464 60 Y N -2.639 117.678 120.300 0.028 0.000 2.677 60 Y HA 0.648 5.363 4.550 0.052 -0.134 0.334 60 Y C -2.071 173.846 175.900 0.029 0.000 1.154 60 Y CA -2.617 55.503 58.100 0.033 0.000 1.070 60 Y CB 2.403 40.869 38.460 0.010 0.000 1.294 60 Y HN 0.491 8.804 8.280 0.055 0.000 0.475 61 D N 0.217 120.617 120.400 0.000 0.000 2.339 61 D HA 0.170 4.706 4.640 -0.174 0.000 0.241 61 D C -0.104 176.063 176.300 -0.222 0.000 1.183 61 D CA -0.954 52.980 54.000 -0.110 0.000 0.859 61 D CB 0.986 41.810 40.800 0.040 0.000 1.067 61 D HN -0.193 8.319 8.370 0.236 0.000 0.484 62 S N 3.953 119.379 115.700 -0.457 0.000 2.489 62 S HA -0.192 4.138 4.470 -0.233 0.000 0.228 62 S C 0.042 174.615 174.600 -0.045 0.000 0.995 62 S CA 1.489 59.499 58.200 -0.318 0.000 0.934 62 S CB 0.359 63.344 63.200 -0.358 0.000 0.771 62 S HN 0.013 8.057 8.310 -0.443 0.000 0.522 63 A N 2.054 124.851 122.820 -0.039 0.000 3.204 63 A HA 0.436 4.774 4.320 0.029 0.000 0.327 63 A C -3.037 174.566 177.584 0.032 0.000 0.998 63 A CA -2.790 49.252 52.037 0.008 0.000 0.891 63 A CB 0.212 19.206 19.000 -0.009 0.000 1.061 63 A HN -0.574 7.592 8.150 -0.081 -0.065 0.478 64 P HA -0.023 4.675 4.420 0.072 -0.234 0.272 64 P C -1.230 176.107 177.300 0.063 0.000 1.254 64 P CA -0.425 62.725 63.100 0.082 0.000 0.795 64 P CB 1.192 32.970 31.700 0.129 0.000 1.022 65 A N -1.916 120.939 122.820 0.058 0.000 2.351 65 A HA 0.094 4.437 4.320 0.038 0.000 0.257 65 A C 1.174 178.786 177.584 0.048 0.000 1.087 65 A CA -0.901 51.163 52.037 0.045 0.000 0.798 65 A CB 1.173 20.196 19.000 0.038 0.000 1.033 65 A HN 0.071 8.259 8.150 0.064 0.000 0.488 66 T N -1.203 113.374 114.554 0.040 0.000 3.607 66 T HA 0.012 4.389 4.350 0.046 0.000 0.225 66 T C -1.295 173.425 174.700 0.033 0.000 0.904 66 T CA -0.948 61.175 62.100 0.039 0.000 0.962 66 T CB -1.022 67.866 68.868 0.033 0.000 1.221 66 T HN 0.175 8.539 8.240 0.034 -0.103 0.641 67 D N -0.472 119.949 120.400 0.035 0.000 2.758 67 D HA 0.077 4.661 4.640 0.026 0.071 0.279 67 D C -0.700 175.619 176.300 0.031 0.000 1.111 67 D CA -1.557 52.460 54.000 0.029 0.000 1.109 67 D CB 1.868 42.684 40.800 0.026 0.000 1.428 67 D HN -0.324 9.688 8.370 0.041 -1.617 0.586 68 G N -2.369 106.447 108.800 0.026 0.000 3.458 68 G HA2 0.003 3.979 3.960 0.027 0.000 0.256 68 G HA3 0.003 3.975 3.960 0.021 0.000 0.256 68 G C -1.049 173.866 174.900 0.026 0.000 0.938 68 G CA 0.020 45.135 45.100 0.025 0.000 1.890 68 G HN -0.008 8.296 8.290 0.023 0.000 0.639 69 S N 1.043 116.764 115.700 0.035 0.000 2.689 69 S HA 0.136 4.625 4.470 0.032 0.000 0.306 69 S C -0.497 174.132 174.600 0.049 0.000 1.104 69 S CA -1.497 56.727 58.200 0.039 0.000 0.973 69 S CB 3.592 66.818 63.200 0.044 0.000 1.121 69 S HN -0.557 7.721 8.310 0.041 0.056 0.523 70 G N -0.579 108.254 108.800 0.055 0.000 2.522 70 G HA2 0.303 4.338 3.960 0.048 0.000 0.304 70 G HA3 0.303 4.425 3.960 0.064 -0.123 0.304 70 G C -1.015 173.962 174.900 0.127 0.000 1.210 70 G CA -0.712 44.431 45.100 0.072 0.000 0.960 70 G HN -0.269 8.141 8.290 0.051 -0.089 0.497 71 T N 3.678 118.354 114.554 0.203 0.000 2.743 71 T HA 0.146 4.609 4.350 0.187 0.000 0.292 71 T C -0.880 173.951 174.700 0.219 0.000 0.972 71 T CA 0.186 62.429 62.100 0.239 0.000 0.967 71 T CB 0.778 69.857 68.868 0.352 0.000 0.926 71 T HN 0.372 8.639 8.240 0.231 0.112 0.459 72 A N 8.380 131.300 122.820 0.167 0.000 2.440 72 A HA 0.432 5.023 4.320 0.145 -0.185 0.251 72 A C -1.338 176.354 177.584 0.179 0.000 1.089 72 A CA 0.004 52.129 52.037 0.146 0.000 0.779 72 A CB 0.815 19.875 19.000 0.099 0.000 1.022 72 A HN 0.701 8.937 8.150 0.143 0.000 0.492 73 L N -4.006 117.324 121.223 0.179 0.000 2.765 73 L HA 1.010 5.591 4.340 0.206 -0.118 0.263 73 L C -1.187 175.793 176.870 0.183 0.000 1.068 73 L CA -1.085 53.881 54.840 0.211 0.000 0.903 73 L CB 3.135 45.340 42.059 0.244 0.000 1.512 73 L HN 0.187 8.513 8.230 0.161 0.000 0.404 74 G N -3.968 104.962 108.800 0.216 0.000 2.667 74 G HA2 0.707 4.859 3.960 0.042 0.000 0.294 74 G HA3 0.707 4.713 3.960 0.077 0.000 0.294 74 G C -3.297 171.763 174.900 0.265 0.000 1.467 74 G CA 0.852 46.036 45.100 0.140 0.000 0.852 74 G HN 0.049 8.490 8.290 0.251 0.000 0.521 75 W N -2.706 118.618 121.300 0.039 0.000 3.074 75 W HA 0.717 5.465 4.660 -0.023 -0.102 0.332 75 W C -3.132 173.436 176.519 0.083 0.000 1.253 75 W CA -1.746 55.589 57.345 -0.017 0.000 1.180 75 W CB 2.236 31.585 29.460 -0.185 0.000 1.445 75 W HN 0.581 8.638 8.180 -0.205 0.000 0.573 76 T N 1.091 115.778 114.554 0.222 0.000 2.907 76 T HA 0.911 5.488 4.350 0.044 -0.201 0.292 76 T C -1.520 173.231 174.700 0.085 0.000 1.043 76 T CA -0.626 61.528 62.100 0.091 0.000 1.003 76 T CB 3.208 72.082 68.868 0.011 0.000 1.084 76 T HN 0.570 8.972 8.240 0.270 0.000 0.483 77 V N 3.590 123.437 119.914 -0.111 0.000 2.612 77 V HA 0.319 4.420 4.120 -0.273 -0.145 0.301 77 V C -2.350 173.325 176.094 -0.697 0.000 1.059 77 V CA -0.980 61.059 62.300 -0.435 0.000 0.886 77 V CB 3.728 35.057 31.823 -0.824 0.000 1.007 77 V HN 0.489 8.585 8.190 -0.156 0.000 0.426 78 A N 5.497 128.033 122.820 -0.474 0.000 2.290 78 A HA 0.503 4.746 4.320 -0.310 -0.110 0.310 78 A C -0.150 177.191 177.584 -0.404 0.000 1.202 78 A CA -1.557 50.290 52.037 -0.317 0.000 0.837 78 A CB 1.644 20.580 19.000 -0.106 0.000 1.139 78 A HN 0.689 8.652 8.150 -0.313 0.000 0.509 79 W N 4.595 125.834 121.300 -0.102 0.000 1.809 79 W HA -0.026 4.334 4.660 -0.500 0.000 0.399 79 W C -1.485 175.071 176.519 0.063 0.000 0.636 79 W CA -1.464 55.750 57.345 -0.218 0.000 2.178 79 W CB -0.677 28.591 29.460 -0.320 0.000 1.632 79 W HN 0.720 8.870 8.180 -0.050 0.000 0.470 80 K N 1.343 121.950 120.400 0.345 0.000 2.443 80 K HA 0.792 5.499 4.320 0.268 -0.227 0.252 80 K C -1.641 175.128 176.600 0.281 0.000 0.933 80 K CA -1.289 55.160 56.287 0.269 0.000 0.792 80 K CB 3.152 35.715 32.500 0.104 0.000 1.185 80 K HN -0.427 7.900 8.250 0.269 0.084 0.425 81 N N 5.240 124.034 118.700 0.155 0.000 3.418 81 N HA 0.229 4.955 4.740 -0.023 0.000 0.316 81 N C -0.830 174.602 175.510 -0.129 0.000 1.601 81 N CA -0.945 52.082 53.050 -0.038 0.000 0.805 81 N CB 0.871 39.186 38.487 -0.286 0.000 1.873 81 N HN 0.798 9.274 8.380 0.160 0.000 0.615 82 N N -1.586 116.918 118.700 -0.328 0.000 2.515 82 N HA 0.048 4.594 4.740 -0.323 0.000 0.185 82 N C -0.138 174.926 175.510 -0.742 0.000 1.109 82 N CA 1.855 54.563 53.050 -0.570 0.000 0.903 82 N CB -0.326 37.682 38.487 -0.797 0.000 0.969 82 N HN 0.121 8.321 8.380 -0.301 0.000 0.450 83 Y N -2.234 118.049 120.300 -0.029 0.000 2.500 83 Y HA 0.064 4.613 4.550 -0.001 0.000 0.284 83 Y C -0.089 175.826 175.900 0.026 0.000 1.118 83 Y CA 1.409 59.506 58.100 -0.006 0.000 1.241 83 Y CB 1.635 40.084 38.460 -0.019 0.000 1.171 83 Y HN -0.323 8.042 8.280 -0.231 -0.224 0.540 84 R N -3.033 117.578 120.500 0.185 0.000 2.774 84 R HA 0.271 4.677 4.340 0.109 0.000 0.272 84 R C -2.522 173.860 176.300 0.137 0.000 1.000 84 R CA -1.238 54.959 56.100 0.162 0.000 0.906 84 R CB 4.087 34.523 30.300 0.226 0.000 1.227 84 R HN 0.122 8.913 8.270 0.179 -0.413 0.468 85 N N 0.587 119.303 118.700 0.028 0.000 2.581 85 N HA 0.332 5.236 4.740 -0.006 -0.167 0.279 85 N C -1.336 173.997 175.510 -0.294 0.000 1.124 85 N CA 0.006 52.978 53.050 -0.130 0.000 0.833 85 N CB 0.956 39.290 38.487 -0.256 0.000 1.338 85 N HN 0.345 8.732 8.380 0.011 0.000 0.533 86 A N 1.764 124.510 122.820 -0.123 0.000 2.275 86 A HA 0.078 4.353 4.320 -0.076 0.000 0.212 86 A C 0.593 178.153 177.584 -0.040 0.000 1.201 86 A CA -0.068 51.919 52.037 -0.083 0.000 0.843 86 A CB 0.605 19.579 19.000 -0.043 0.000 0.873 86 A HN 0.758 8.925 8.150 0.027 0.000 0.492 87 H N -1.502 117.622 119.070 0.090 0.000 2.604 87 H HA -0.363 4.235 4.556 0.069 0.000 0.321 87 H C -1.866 173.500 175.328 0.063 0.000 1.132 87 H CA 1.114 57.201 56.048 0.064 0.000 1.129 87 H CB -3.040 26.743 29.762 0.035 0.000 1.526 87 H HN -0.039 8.181 8.280 -0.426 -0.196 0.415 88 S N -4.657 111.147 115.700 0.173 0.000 2.625 88 S HA 0.896 5.546 4.470 0.120 -0.108 0.271 88 S C -2.547 172.199 174.600 0.243 0.000 1.161 88 S CA -0.727 57.580 58.200 0.179 0.000 0.820 88 S CB 4.222 67.505 63.200 0.139 0.000 1.137 88 S HN -0.343 8.070 8.310 0.171 0.000 0.470 89 A N -1.625 121.296 122.820 0.168 0.000 2.520 89 A HA 0.816 5.177 4.320 -0.199 -0.161 0.298 89 A C -2.306 175.272 177.584 -0.009 0.000 1.051 89 A CA -0.277 51.752 52.037 -0.014 0.000 0.690 89 A CB 3.859 22.820 19.000 -0.065 0.000 1.281 89 A HN 0.674 8.900 8.150 0.126 0.000 0.402 90 T N 4.622 119.091 114.554 -0.140 0.000 2.856 90 T HA 1.060 5.493 4.350 -0.222 -0.216 0.283 90 T C -0.680 173.773 174.700 -0.412 0.000 1.008 90 T CA -1.161 60.751 62.100 -0.313 0.000 0.997 90 T CB 2.421 70.954 68.868 -0.559 0.000 0.992 90 T HN 0.854 8.883 8.240 -0.352 0.000 0.454 91 T N 1.992 116.307 114.554 -0.400 0.000 2.841 91 T HA 0.792 5.248 4.350 -0.154 -0.199 0.283 91 T C -1.393 173.100 174.700 -0.344 0.000 1.000 91 T CA -1.979 59.973 62.100 -0.247 0.000 0.977 91 T CB 2.541 71.329 68.868 -0.132 0.000 0.979 91 T HN 0.415 8.437 8.240 -0.362 0.000 0.446 92 W N 4.926 125.882 121.300 -0.573 0.000 2.587 92 W HA 0.486 5.180 4.660 -0.199 -0.154 0.324 92 W C -1.392 174.844 176.519 -0.471 0.000 1.040 92 W CA -1.430 55.568 57.345 -0.578 0.000 1.222 92 W CB 3.617 32.333 29.460 -1.240 0.000 1.381 92 W HN 0.973 9.007 8.180 -0.243 0.000 0.483 93 S N 1.836 117.520 115.700 -0.026 0.000 2.532 93 S HA 0.800 5.413 4.470 0.002 -0.142 0.299 93 S C -1.011 173.627 174.600 0.065 0.000 1.105 93 S CA -1.631 56.572 58.200 0.006 0.000 1.018 93 S CB 1.581 64.780 63.200 -0.002 0.000 1.021 93 S HN 0.628 8.954 8.310 0.027 0.000 0.483 94 G N 3.862 112.721 108.800 0.098 0.000 2.435 94 G HA2 0.584 4.611 3.960 0.111 0.000 0.296 94 G HA3 0.584 4.818 3.960 0.176 -0.169 0.296 94 G C -3.477 171.512 174.900 0.149 0.000 1.240 94 G CA 0.835 46.016 45.100 0.135 0.000 0.872 94 G HN 0.368 8.718 8.290 0.100 0.000 0.480 95 Q N -3.334 116.566 119.800 0.166 0.000 2.418 95 Q HA 0.826 5.447 4.340 0.193 -0.166 0.282 95 Q C -2.509 173.610 176.000 0.198 0.000 1.044 95 Q CA -1.920 53.986 55.803 0.173 0.000 0.813 95 Q CB 4.419 33.232 28.738 0.126 0.000 1.428 95 Q HN 0.267 8.640 8.270 0.172 0.000 0.402 96 Y N 3.011 123.359 120.300 0.080 0.000 2.352 96 Y HA 0.778 5.519 4.550 0.042 -0.165 0.326 96 Y C -2.207 173.748 175.900 0.091 0.000 1.166 96 Y CA -1.799 56.335 58.100 0.057 0.000 1.182 96 Y CB 3.027 41.495 38.460 0.013 0.000 1.216 96 Y HN 0.740 9.094 8.280 0.312 0.113 0.474 97 V N 3.288 122.760 119.914 -0.737 0.000 2.733 97 V HA 0.292 4.146 4.120 -0.443 0.000 0.306 97 V C -1.791 173.819 176.094 -0.807 0.000 1.084 97 V CA -1.739 60.222 62.300 -0.565 0.000 0.905 97 V CB 3.457 35.165 31.823 -0.191 0.000 1.010 97 V HN 0.195 7.946 8.190 -0.732 0.000 0.424 98 G N 3.677 112.143 108.800 -0.556 0.000 2.671 98 G HA2 0.412 4.248 3.960 -0.206 0.000 0.275 98 G HA3 0.412 4.335 3.960 -0.061 0.000 0.275 98 G C -0.803 174.057 174.900 -0.065 0.000 1.368 98 G CA -1.590 43.372 45.100 -0.229 0.000 1.044 98 G HN 0.366 8.433 8.290 -0.373 0.000 0.543 99 G N -2.969 105.837 108.800 0.009 0.000 2.334 99 G HA2 -0.195 3.777 3.960 0.021 0.000 0.315 99 G HA3 -0.195 3.767 3.960 0.004 0.000 0.315 99 G C -1.043 173.872 174.900 0.026 0.000 1.284 99 G CA -0.623 44.486 45.100 0.015 0.000 0.985 99 G HN -0.230 8.088 8.290 0.047 0.000 0.504 100 A N -1.214 121.618 122.820 0.020 0.000 1.986 100 A HA -0.135 4.194 4.320 0.016 0.000 0.220 100 A C 0.059 177.656 177.584 0.021 0.000 1.171 100 A CA 1.802 53.849 52.037 0.018 0.000 0.640 100 A CB 0.196 19.204 19.000 0.013 0.000 0.811 100 A HN 0.158 8.318 8.150 0.017 0.000 0.451 101 E N -1.986 118.232 120.200 0.030 0.000 2.255 101 E HA 0.095 4.469 4.350 0.040 0.000 0.245 101 E C -2.191 174.454 176.600 0.074 0.000 0.909 101 E CA -1.326 55.103 56.400 0.047 0.000 0.747 101 E CB -0.396 29.333 29.700 0.048 0.000 1.215 101 E HN -0.326 8.024 8.360 0.026 0.025 0.424 102 A N 4.555 127.442 122.820 0.112 0.000 2.316 102 A HA 0.519 4.999 4.320 0.050 -0.130 0.284 102 A C -0.816 176.998 177.584 0.383 0.000 1.115 102 A CA -0.732 51.418 52.037 0.188 0.000 0.812 102 A CB 1.542 20.754 19.000 0.353 0.000 1.064 102 A HN 0.424 8.626 8.150 0.086 0.000 0.489 103 R N -2.936 117.763 120.500 0.332 0.000 2.764 103 R HA 0.952 5.870 4.340 0.709 -0.153 0.270 103 R C -2.009 174.429 176.300 0.230 0.000 1.014 103 R CA -1.717 54.628 56.100 0.408 0.000 0.904 103 R CB 3.556 34.011 30.300 0.257 0.000 1.236 103 R HN 0.309 8.637 8.270 0.096 0.000 0.466 104 I N -0.428 120.286 120.570 0.240 0.000 2.447 104 I HA 0.537 5.001 4.170 0.182 -0.185 0.287 104 I C -1.826 174.494 176.117 0.339 0.000 1.023 104 I CA -1.332 60.097 61.300 0.215 0.000 1.083 104 I CB 3.048 41.108 38.000 0.101 0.000 1.245 104 I HN 0.414 8.843 8.210 0.365 0.000 0.434 105 N N 9.032 127.889 118.700 0.260 0.000 2.424 105 N HA 0.553 5.448 4.740 0.259 0.000 0.271 105 N C -1.022 174.645 175.510 0.261 0.000 0.985 105 N CA -0.164 53.029 53.050 0.239 0.000 0.921 105 N CB 2.594 41.173 38.487 0.152 0.000 1.149 105 N HN 0.471 8.978 8.380 0.212 0.000 0.492 106 T N -0.354 114.391 114.554 0.319 0.000 2.865 106 T HA 0.711 5.335 4.350 0.224 -0.140 0.294 106 T C -1.394 173.469 174.700 0.272 0.000 1.119 106 T CA -2.250 60.041 62.100 0.318 0.000 1.007 106 T CB 3.376 72.542 68.868 0.496 0.000 1.225 106 T HN 0.681 9.121 8.240 0.333 0.000 0.515 107 Q N -0.049 119.852 119.800 0.169 0.000 2.372 107 Q HA 0.702 5.162 4.340 -0.060 -0.157 0.273 107 Q C -1.609 174.378 176.000 -0.021 0.000 1.078 107 Q CA -0.913 54.887 55.803 -0.005 0.000 0.806 107 Q CB 4.774 33.482 28.738 -0.050 0.000 1.332 107 Q HN 0.225 8.587 8.270 0.154 0.000 0.435 108 W N -0.937 120.261 121.300 -0.171 0.000 2.962 108 W HA 0.968 5.536 4.660 -0.404 -0.150 0.341 108 W C -2.878 173.457 176.519 -0.308 0.000 1.155 108 W CA -3.005 54.096 57.345 -0.406 0.000 1.165 108 W CB 3.423 32.364 29.460 -0.864 0.000 1.435 108 W HN 1.032 8.630 8.180 -0.780 0.114 0.546 109 L N -0.236 121.014 121.223 0.044 0.000 2.381 109 L HA 0.784 5.330 4.340 0.001 -0.205 0.274 109 L C -1.816 175.095 176.870 0.068 0.000 0.988 109 L CA -1.314 53.540 54.840 0.024 0.000 0.824 109 L CB 3.030 45.058 42.059 -0.050 0.000 1.263 109 L HN 0.307 8.500 8.230 -0.062 0.000 0.410 110 L N 5.271 126.578 121.223 0.140 0.000 2.343 110 L HA 0.700 5.207 4.340 -0.015 -0.176 0.278 110 L C -1.823 175.062 176.870 0.025 0.000 0.996 110 L CA -1.558 53.311 54.840 0.050 0.000 0.831 110 L CB 3.094 45.180 42.059 0.045 0.000 1.232 110 L HN 0.795 9.126 8.230 0.168 0.000 0.413 111 T N 9.354 123.913 114.554 0.008 0.000 2.823 111 T HA 0.680 5.239 4.350 -0.016 -0.219 0.279 111 T C -0.750 173.957 174.700 0.012 0.000 0.998 111 T CA -0.790 61.307 62.100 -0.004 0.000 0.994 111 T CB 1.927 70.789 68.868 -0.010 0.000 0.960 111 T HN 0.604 8.849 8.240 0.009 0.000 0.448 112 S N 5.353 121.050 115.700 -0.006 0.000 2.578 112 S HA 0.392 5.012 4.470 0.045 -0.123 0.301 112 S C -0.335 174.269 174.600 0.007 0.000 1.091 112 S CA -0.511 57.696 58.200 0.011 0.000 1.032 112 S CB 2.849 66.038 63.200 -0.018 0.000 1.064 112 S HN 0.249 8.542 8.310 -0.029 0.000 0.508 113 G N 1.375 110.195 108.800 0.033 0.000 2.370 113 G HA2 0.013 3.974 3.960 0.002 0.000 0.272 113 G HA3 0.013 3.984 3.960 0.018 0.000 0.272 113 G C -1.261 173.627 174.900 -0.021 0.000 1.208 113 G CA 0.361 45.467 45.100 0.009 0.000 0.856 113 G HN 0.438 8.773 8.290 0.076 0.000 0.500 114 T N 0.917 115.452 114.554 -0.032 0.000 2.864 114 T HA 0.239 4.561 4.350 -0.046 0.000 0.289 114 T C -0.736 173.946 174.700 -0.030 0.000 1.082 114 T CA -1.712 60.362 62.100 -0.043 0.000 1.009 114 T CB 2.604 71.432 68.868 -0.067 0.000 1.234 114 T HN -0.164 8.060 8.240 -0.027 0.000 0.526 115 T N -2.828 111.712 114.554 -0.024 0.000 2.847 115 T HA 0.111 4.454 4.350 -0.012 0.000 0.279 115 T C 1.337 176.041 174.700 0.006 0.000 0.984 115 T CA -1.203 60.892 62.100 -0.009 0.000 0.988 115 T CB 1.243 70.108 68.868 -0.004 0.000 1.040 115 T HN -0.118 8.104 8.240 -0.029 0.000 0.528 116 E N 1.786 121.996 120.200 0.017 0.000 2.086 116 E HA -0.447 3.922 4.350 0.030 0.000 0.200 116 E C 2.536 179.175 176.600 0.065 0.000 1.012 116 E CA 3.735 60.155 56.400 0.034 0.000 0.812 116 E CB -0.886 28.833 29.700 0.032 0.000 0.743 116 E HN 0.545 8.912 8.360 0.012 0.000 0.453 117 A N -1.536 121.323 122.820 0.066 0.000 2.042 117 A HA -0.235 4.160 4.320 0.125 0.000 0.222 117 A C 0.696 178.381 177.584 0.169 0.000 1.167 117 A CA 2.610 54.713 52.037 0.110 0.000 0.649 117 A CB -0.614 18.436 19.000 0.083 0.000 0.809 117 A HN 0.315 8.492 8.150 0.046 0.001 0.457 118 N N -4.715 114.027 118.700 0.069 0.000 2.200 118 N HA 0.117 4.850 4.740 -0.012 0.000 0.224 118 N C 1.010 176.421 175.510 -0.165 0.000 1.179 118 N CA -0.112 52.905 53.050 -0.054 0.000 0.877 118 N CB 1.108 39.533 38.487 -0.102 0.000 1.072 118 N HN -0.457 7.789 8.380 0.035 0.154 0.519 119 A N 2.578 125.392 122.820 -0.010 0.000 1.917 119 A HA -0.206 4.083 4.320 -0.051 0.000 0.219 119 A C 1.632 179.195 177.584 -0.034 0.000 1.182 119 A CA 3.399 55.428 52.037 -0.014 0.000 0.633 119 A CB -0.532 18.498 19.000 0.049 0.000 0.819 119 A HN 0.443 8.430 8.150 0.063 0.201 0.448 120 W N -4.828 116.469 121.300 -0.005 0.000 2.341 120 W HA -0.276 4.379 4.660 -0.008 0.000 0.283 120 W C -0.289 176.226 176.519 -0.007 0.000 1.215 120 W CA 0.998 58.339 57.345 -0.007 0.000 1.211 120 W CB -1.108 28.347 29.460 -0.007 0.000 1.131 120 W HN 0.284 8.640 8.180 0.304 0.007 0.552 121 K N -2.010 117.841 120.400 -0.915 0.000 2.726 121 K HA 0.403 4.375 4.320 -0.581 0.000 0.209 121 K C 0.289 176.626 176.600 -0.437 0.000 1.082 121 K CA -0.555 55.212 56.287 -0.866 0.000 1.081 121 K CB -0.160 31.418 32.500 -1.537 0.000 0.830 121 K HN -0.589 6.896 8.250 -1.026 0.149 0.470 122 S N -0.241 115.298 115.700 -0.268 0.000 2.478 122 S HA -0.059 4.312 4.470 -0.164 0.000 0.222 122 S C -0.473 174.068 174.600 -0.098 0.000 1.008 122 S CA 1.958 60.065 58.200 -0.155 0.000 0.928 122 S CB 0.860 64.001 63.200 -0.097 0.000 0.781 122 S HN -0.119 7.982 8.310 -0.232 0.070 0.518 123 T N 4.806 119.308 114.554 -0.087 0.000 2.786 123 T HA 0.667 5.252 4.350 -0.032 -0.255 0.283 123 T C -0.403 174.270 174.700 -0.044 0.000 0.992 123 T CA 0.126 62.197 62.100 -0.049 0.000 0.954 123 T CB 1.780 70.626 68.868 -0.038 0.000 0.934 123 T HN -0.714 7.464 8.240 -0.104 0.000 0.440 124 L N 6.576 127.796 121.223 -0.005 0.000 2.352 124 L HA 0.517 4.831 4.340 -0.044 0.000 0.269 124 L C -1.400 175.431 176.870 -0.066 0.000 1.034 124 L CA -0.752 54.090 54.840 0.005 0.000 0.806 124 L CB 2.296 44.437 42.059 0.136 0.000 1.244 124 L HN 0.669 8.914 8.230 0.024 0.000 0.447 125 V N -0.103 119.639 119.914 -0.286 0.000 2.925 125 V HA 0.982 4.931 4.120 -0.651 -0.219 0.311 125 V C -1.623 173.825 176.094 -1.077 0.000 1.104 125 V CA -2.510 59.427 62.300 -0.606 0.000 0.954 125 V CB 3.876 35.503 31.823 -0.327 0.000 1.022 125 V HN 0.017 8.066 8.190 -0.235 0.000 0.427 126 G N 4.381 112.121 108.800 -1.768 0.000 2.634 126 G HA2 0.267 3.789 3.960 -0.729 0.000 0.309 126 G HA3 0.267 3.149 3.960 -1.796 0.000 0.309 126 G C -3.368 170.817 174.900 -1.190 0.000 1.299 126 G CA 0.292 44.480 45.100 -1.521 0.000 0.798 126 G HN -0.021 7.210 8.290 -1.765 0.000 0.490 127 H N -3.596 115.171 119.070 -0.505 0.000 2.930 127 H HA 0.639 5.237 4.556 -0.107 -0.106 0.371 127 H C -1.741 173.749 175.328 0.271 0.000 1.169 127 H CA -1.674 54.323 56.048 -0.084 0.000 1.157 127 H CB 3.539 33.258 29.762 -0.072 0.000 1.789 127 H HN 0.084 7.889 8.280 -0.792 0.000 0.547 128 D N 0.819 121.469 120.400 0.417 0.000 2.819 128 D HA 0.283 5.120 4.640 0.118 -0.126 0.232 128 D C -1.366 174.971 176.300 0.061 0.000 1.160 128 D CA -0.090 54.025 54.000 0.193 0.000 0.858 128 D CB 4.755 45.612 40.800 0.096 0.000 1.610 128 D HN 0.290 8.827 8.370 0.465 0.112 0.481 129 T N 4.538 119.037 114.554 -0.092 0.000 2.812 129 T HA 0.714 5.357 4.350 0.175 -0.189 0.282 129 T C -1.158 173.501 174.700 -0.067 0.000 0.990 129 T CA -0.130 61.995 62.100 0.043 0.000 0.960 129 T CB 1.870 70.806 68.868 0.114 0.000 0.948 129 T HN 0.059 8.469 8.240 -0.134 -0.250 0.438 130 F N 6.717 126.864 119.950 0.329 0.000 2.480 130 F HA 0.918 5.865 4.527 0.365 -0.201 0.329 130 F C -0.350 175.739 175.800 0.481 0.000 1.091 130 F CA -1.652 56.582 58.000 0.389 0.000 0.972 130 F CB 3.603 42.854 39.000 0.419 0.000 1.150 130 F HN 0.931 9.528 8.300 0.495 0.000 0.467 131 T N -3.250 111.698 114.554 0.656 0.000 2.838 131 T HA 0.633 5.520 4.350 0.636 -0.156 0.292 131 T C 0.157 175.034 174.700 0.295 0.000 1.113 131 T CA -2.072 60.324 62.100 0.493 0.000 1.008 131 T CB 3.275 72.306 68.868 0.271 0.000 1.259 131 T HN 0.797 9.389 8.240 0.586 0.000 0.520 132 K N 1.123 121.504 120.400 -0.031 0.000 2.493 132 K HA 0.214 4.497 4.320 -0.274 -0.128 0.207 132 K C -1.393 175.215 176.600 0.014 0.000 1.033 132 K CA -0.016 56.135 56.287 -0.227 0.000 1.161 132 K CB 0.122 32.299 32.500 -0.537 0.000 0.873 132 K HN 0.447 8.689 8.250 -0.012 0.000 0.491 133 V N 0.000 119.967 119.914 0.088 0.000 2.409 133 V HA 0.000 4.090 4.120 -0.049 0.000 0.244 133 V CA 0.000 62.292 62.300 -0.013 0.000 1.235 133 V CB 0.000 31.822 31.823 -0.002 0.000 1.184 133 V HN 0.000 8.169 8.190 0.146 0.108 0.556