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 2bgp_1_A DATA FIRST_RESID 8 DATA SEQUENCE SWTYTAASAS ITAPAQLVGN VGELQGAGSA VIWNVDVPVT GEYRINLTWS DATA SEQUENCE SPYSSKVNTL VMDGTALSYA FAEATVPVTY VQTKTLSAGN HSFGVRVGSS DATA SEQUENCE DWGYMNVHSL KLELLG 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 8 S HA 0.000 4.407 4.470 -0.106 0.000 0.327 8 S C 0.000 174.737 174.600 0.228 0.000 1.055 8 S CA 0.000 58.282 58.200 0.137 0.000 1.107 8 S CB 0.000 63.178 63.200 -0.036 0.000 0.593 9 W N 2.562 123.694 121.300 -0.279 0.000 3.129 9 W HA 0.404 4.891 4.660 -0.288 0.000 0.333 9 W C -2.127 173.997 176.519 -0.659 0.000 1.141 9 W CA -0.502 56.627 57.345 -0.361 0.000 1.224 9 W CB 1.610 30.902 29.460 -0.280 0.000 1.393 9 W HN -0.311 7.480 8.180 -0.648 0.000 0.499 10 T N 1.361 115.555 114.554 -0.601 0.000 2.932 10 T HA 0.638 4.334 4.350 -1.335 -0.147 0.289 10 T C -0.687 173.532 174.700 -0.802 0.000 1.039 10 T CA -1.747 59.824 62.100 -0.881 0.000 1.024 10 T CB 2.566 71.151 68.868 -0.472 0.000 1.090 10 T HN 0.057 8.115 8.240 -0.302 0.000 0.496 11 Y N 0.767 120.838 120.300 -0.382 0.000 2.373 11 Y HA 0.276 4.788 4.550 -0.064 0.000 0.327 11 Y C -0.432 175.352 175.900 -0.194 0.000 1.036 11 Y CA -2.537 55.368 58.100 -0.325 0.000 1.265 11 Y CB -0.137 37.955 38.460 -0.613 0.000 1.108 11 Y HN 0.028 7.811 8.280 -0.829 0.000 0.471 12 T N 2.955 117.667 114.554 0.263 0.000 2.855 12 T HA -0.229 4.475 4.350 0.373 -0.129 0.322 12 T C 1.025 176.186 174.700 0.769 0.000 1.088 12 T CA -0.729 61.621 62.100 0.418 0.000 1.104 12 T CB 0.259 69.303 68.868 0.294 0.000 0.996 12 T HN 0.232 8.590 8.240 0.196 0.000 0.549 13 A N 3.056 126.290 122.820 0.691 0.000 2.121 13 A HA -0.205 4.355 4.320 0.400 0.000 0.218 13 A C 0.172 177.877 177.584 0.201 0.000 1.154 13 A CA 1.909 54.207 52.037 0.435 0.000 0.679 13 A CB -0.643 18.518 19.000 0.270 0.000 0.795 13 A HN -0.118 8.372 8.150 0.566 0.000 0.458 14 A N -3.125 119.833 122.820 0.231 0.000 2.121 14 A HA -0.109 4.268 4.320 0.096 0.000 0.218 14 A C 0.810 178.480 177.584 0.144 0.000 1.154 14 A CA 2.107 54.232 52.037 0.145 0.000 0.679 14 A CB -0.151 18.930 19.000 0.135 0.000 0.795 14 A HN 0.366 8.637 8.150 0.286 0.051 0.458 15 S N -3.184 112.655 115.700 0.232 0.000 2.526 15 S HA 0.101 4.660 4.470 0.148 0.000 0.220 15 S C 0.450 175.145 174.600 0.158 0.000 1.017 15 S CA -0.323 58.011 58.200 0.223 0.000 0.930 15 S CB 1.330 64.716 63.200 0.310 0.000 0.856 15 S HN -0.517 7.838 8.310 0.349 0.164 0.497 16 A N 2.627 125.443 122.820 -0.007 0.000 2.296 16 A HA 0.080 4.125 4.320 -0.459 0.000 0.276 16 A C -0.602 176.776 177.584 -0.344 0.000 1.356 16 A CA -0.220 51.472 52.037 -0.576 0.000 0.825 16 A CB 1.127 19.000 19.000 -1.877 0.000 1.308 16 A HN -0.769 7.318 8.150 0.108 0.128 0.515 17 S N -0.639 114.814 115.700 -0.411 0.000 2.532 17 S HA 0.215 4.593 4.470 -0.153 0.000 0.318 17 S C -1.130 173.342 174.600 -0.214 0.000 1.083 17 S CA -0.805 57.261 58.200 -0.223 0.000 1.131 17 S CB 0.430 63.537 63.200 -0.155 0.000 0.973 17 S HN 0.234 8.176 8.310 -0.613 0.000 0.468 18 I N 7.748 128.228 120.570 -0.150 0.000 2.311 18 I HA -0.032 4.059 4.170 -0.133 0.000 0.297 18 I C -0.364 175.709 176.117 -0.073 0.000 1.131 18 I CA -1.374 59.860 61.300 -0.109 0.000 1.289 18 I CB -2.370 35.587 38.000 -0.071 0.000 1.446 18 I HN 0.684 8.820 8.210 -0.124 0.000 0.524 19 T N 9.740 124.252 114.554 -0.070 0.000 2.727 19 T HA 0.090 4.414 4.350 -0.044 0.000 0.298 19 T C -0.743 173.938 174.700 -0.032 0.000 0.942 19 T CA -0.527 61.545 62.100 -0.046 0.000 0.997 19 T CB 0.259 69.101 68.868 -0.043 0.000 0.917 19 T HN 0.422 8.610 8.240 -0.086 0.000 0.487 20 A N 9.317 132.119 122.820 -0.030 0.000 2.586 20 A HA -0.115 4.437 4.320 -0.028 -0.248 0.231 20 A C -0.250 177.320 177.584 -0.023 0.000 1.055 20 A CA -0.593 51.428 52.037 -0.027 0.000 0.756 20 A CB -0.605 18.377 19.000 -0.029 0.000 0.988 20 A HN 0.601 8.733 8.150 -0.031 0.000 0.509 21 P HA -0.139 4.254 4.420 -0.045 0.000 0.244 21 P C -0.802 176.482 177.300 -0.027 0.000 1.211 21 P CA -0.022 63.055 63.100 -0.039 0.000 0.760 21 P CB -0.367 31.295 31.700 -0.062 0.000 0.961 22 A N 0.050 122.861 122.820 -0.014 0.000 2.540 22 A HA -0.159 4.333 4.320 0.010 -0.166 0.239 22 A C -0.941 176.635 177.584 -0.013 0.000 1.061 22 A CA 0.607 52.639 52.037 -0.007 0.000 0.758 22 A CB 0.765 19.753 19.000 -0.019 0.000 0.991 22 A HN -0.369 7.611 8.150 -0.014 0.161 0.502 23 Q N 2.041 121.842 119.800 0.001 0.000 2.389 23 Q HA 0.172 4.508 4.340 -0.008 0.000 0.277 23 Q C -1.957 174.054 176.000 0.017 0.000 1.082 23 Q CA -1.036 54.769 55.803 0.002 0.000 0.810 23 Q CB 3.633 32.372 28.738 0.002 0.000 1.374 23 Q HN 0.082 8.322 8.270 0.016 0.040 0.422 24 L N 4.991 126.222 121.223 0.014 0.000 2.328 24 L HA 0.042 4.533 4.340 0.033 -0.131 0.280 24 L C -1.065 175.827 176.870 0.036 0.000 1.111 24 L CA 0.032 54.888 54.840 0.026 0.000 0.909 24 L CB -0.697 41.374 42.059 0.020 0.000 1.277 24 L HN 0.341 8.575 8.230 0.006 0.000 0.433 25 V N 7.434 127.379 119.914 0.052 0.000 2.322 25 V HA 0.033 4.183 4.120 0.051 0.000 0.258 25 V C -0.555 175.563 176.094 0.041 0.000 1.074 25 V CA -1.355 60.982 62.300 0.061 0.000 0.909 25 V CB -0.178 31.712 31.823 0.111 0.000 1.090 25 V HN 0.731 8.884 8.190 0.060 0.074 0.486 26 G N 9.105 117.922 108.800 0.029 0.000 2.367 26 G HA2 -0.292 3.667 3.960 -0.003 0.000 0.295 26 G HA3 -0.292 3.677 3.960 0.015 0.000 0.295 26 G C -0.740 174.154 174.900 -0.010 0.000 1.019 26 G CA 0.313 45.418 45.100 0.008 0.000 1.224 26 G HN 0.038 8.348 8.290 0.033 0.000 0.510 27 N N -4.936 113.780 118.700 0.025 0.000 2.681 27 N HA -0.493 4.296 4.740 0.082 0.000 0.250 27 N C -2.154 173.392 175.510 0.061 0.000 1.133 27 N CA 1.145 54.230 53.050 0.058 0.000 0.732 27 N CB -0.094 38.434 38.487 0.068 0.000 1.107 27 N HN 0.228 8.629 8.380 0.034 0.000 0.559 28 V N -4.074 115.863 119.914 0.039 0.000 2.569 28 V HA 0.414 4.829 4.120 0.132 -0.215 0.301 28 V C 0.323 176.468 176.094 0.086 0.000 1.044 28 V CA -2.318 60.020 62.300 0.063 0.000 0.874 28 V CB 2.247 34.057 31.823 -0.020 0.000 1.002 28 V HN -0.677 7.380 8.190 0.032 0.152 0.424 29 G N 6.841 115.707 108.800 0.109 0.000 2.785 29 G HA2 -0.129 3.866 3.960 0.057 0.000 0.256 29 G HA3 -0.129 3.946 3.960 0.035 -0.094 0.256 29 G C -1.276 173.674 174.900 0.083 0.000 1.248 29 G CA 0.107 45.247 45.100 0.067 0.000 0.914 29 G HN 0.679 8.976 8.290 0.161 0.089 0.580 30 E N -1.634 118.606 120.200 0.066 0.000 2.934 30 E HA 0.043 4.569 4.350 0.120 -0.104 0.343 30 E C -0.722 175.920 176.600 0.070 0.000 1.148 30 E CA -0.408 56.044 56.400 0.088 0.000 0.803 30 E CB 0.989 30.737 29.700 0.080 0.000 1.541 30 E HN 0.015 8.432 8.360 0.040 -0.033 0.380 31 L N 2.343 123.621 121.223 0.092 0.000 2.453 31 L HA -0.012 4.363 4.340 0.059 0.000 0.261 31 L C -0.406 176.551 176.870 0.145 0.000 1.179 31 L CA 1.029 55.928 54.840 0.097 0.000 0.813 31 L CB 0.433 42.560 42.059 0.113 0.000 1.110 31 L HN 0.857 9.063 8.230 0.102 0.085 0.466 32 Q N -1.168 118.707 119.800 0.124 0.000 3.025 32 Q HA 0.147 4.715 4.340 0.378 0.000 0.238 32 Q C 0.529 176.710 176.000 0.302 0.000 1.116 32 Q CA -1.098 54.775 55.803 0.117 0.000 0.467 32 Q CB 2.371 30.933 28.738 -0.292 0.000 5.116 32 Q HN -0.336 7.989 8.270 0.092 0.000 0.283 33 G N -1.204 107.678 108.800 0.136 0.000 2.590 33 G HA2 -0.132 3.869 3.960 0.068 0.000 0.276 33 G HA3 -0.132 4.036 3.960 0.347 0.000 0.276 33 G C -2.062 172.911 174.900 0.122 0.000 1.337 33 G CA -0.502 44.705 45.100 0.179 0.000 1.030 33 G HN -0.202 8.051 8.290 -0.062 0.000 0.534 34 A N -2.526 120.326 122.820 0.054 0.000 2.425 34 A HA -0.336 4.036 4.320 0.086 0.000 0.242 34 A C 0.874 178.469 177.584 0.018 0.000 1.077 34 A CA 0.805 52.866 52.037 0.041 0.000 0.781 34 A CB 0.158 19.154 19.000 -0.007 0.000 1.020 34 A HN -0.279 7.866 8.150 -0.009 0.000 0.494 35 G N 1.540 110.353 108.800 0.022 0.000 2.284 35 G HA2 -0.310 3.647 3.960 -0.004 0.000 0.216 35 G HA3 -0.310 3.651 3.960 0.002 0.000 0.216 35 G C -0.289 174.615 174.900 0.008 0.000 1.009 35 G CA -0.225 44.878 45.100 0.006 0.000 0.625 35 G HN 0.443 8.754 8.290 0.034 0.000 0.501 36 S N 2.981 118.695 115.700 0.023 0.000 2.585 36 S HA 0.081 4.855 4.470 0.001 -0.303 0.273 36 S C -1.123 173.489 174.600 0.019 0.000 1.339 36 S CA 0.211 58.423 58.200 0.019 0.000 1.028 36 S CB 0.965 64.188 63.200 0.038 0.000 0.906 36 S HN -0.745 7.508 8.310 0.037 0.080 0.528 37 A N -0.355 122.463 122.820 -0.003 0.000 2.547 37 A HA 0.263 4.589 4.320 0.011 0.000 0.298 37 A C -2.473 175.074 177.584 -0.062 0.000 1.062 37 A CA 0.258 52.287 52.037 -0.013 0.000 0.748 37 A CB 3.249 22.241 19.000 -0.013 0.000 1.288 37 A HN 0.072 8.213 8.150 -0.015 0.000 0.396 38 V N 1.055 120.922 119.914 -0.079 0.000 2.239 38 V HA 0.800 5.004 4.120 -0.270 -0.247 0.267 38 V C -1.444 174.483 176.094 -0.278 0.000 1.056 38 V CA -2.761 59.401 62.300 -0.230 0.000 0.830 38 V CB -0.556 31.128 31.823 -0.232 0.000 1.090 38 V HN -0.190 7.986 8.190 -0.023 0.000 0.459 39 I N 4.261 124.675 120.570 -0.260 0.000 2.566 39 I HA 0.644 5.011 4.170 0.023 -0.184 0.303 39 I C -0.955 175.022 176.117 -0.234 0.000 0.983 39 I CA -1.923 59.302 61.300 -0.125 0.000 1.235 39 I CB 2.417 40.393 38.000 -0.041 0.000 1.386 39 I HN -0.452 7.613 8.210 -0.241 0.000 0.494 40 W N 2.191 123.499 121.300 0.013 0.000 2.761 40 W HA 0.339 4.983 4.660 -0.027 0.000 0.340 40 W C -1.923 174.574 176.519 -0.037 0.000 1.072 40 W CA -0.758 56.552 57.345 -0.058 0.000 1.215 40 W CB 4.281 33.592 29.460 -0.248 0.000 1.420 40 W HN 0.972 9.240 8.180 0.302 0.093 0.519 41 N N 2.782 121.613 118.700 0.218 0.000 2.446 41 N HA 0.290 5.127 4.740 0.161 0.000 0.265 41 N C -1.127 174.473 175.510 0.151 0.000 0.975 41 N CA -0.195 52.950 53.050 0.158 0.000 0.928 41 N CB 1.559 40.118 38.487 0.120 0.000 1.160 41 N HN 0.155 8.694 8.380 0.265 0.000 0.495 42 V N 1.258 121.270 119.914 0.163 0.000 3.230 42 V HA 0.443 4.666 4.120 0.171 0.000 0.302 42 V C -2.120 174.101 176.094 0.212 0.000 1.421 42 V CA -2.062 60.350 62.300 0.186 0.000 1.065 42 V CB 2.921 34.883 31.823 0.231 0.000 1.097 42 V HN -0.067 8.240 8.190 0.196 0.000 0.460 43 D N -0.419 120.094 120.400 0.189 0.000 2.671 43 D HA 0.606 5.512 4.640 0.230 -0.128 0.232 43 D C -1.091 175.308 176.300 0.165 0.000 1.114 43 D CA -0.931 53.173 54.000 0.172 0.000 0.858 43 D CB 3.366 44.226 40.800 0.099 0.000 1.544 43 D HN -0.127 8.342 8.370 0.166 0.000 0.471 44 V N 1.821 121.839 119.914 0.174 0.000 2.406 44 V HA 0.427 4.746 4.120 0.332 0.000 0.272 44 V C -0.011 176.164 176.094 0.135 0.000 1.043 44 V CA -4.289 58.126 62.300 0.191 0.000 0.915 44 V CB -0.199 31.648 31.823 0.041 0.000 0.988 44 V HN -0.315 7.984 8.190 0.182 0.000 0.466 45 P HA -0.063 4.350 4.420 -0.012 0.000 0.215 45 P C -0.657 176.705 177.300 0.103 0.000 1.157 45 P CA 2.395 65.526 63.100 0.050 0.000 0.874 45 P CB 0.231 31.919 31.700 -0.021 0.000 0.790 46 V N -5.739 114.299 119.914 0.207 0.000 3.084 46 V HA 0.270 4.446 4.120 0.094 0.000 0.311 46 V C -1.702 174.459 176.094 0.111 0.000 1.311 46 V CA -2.559 59.832 62.300 0.152 0.000 1.062 46 V CB 1.759 33.674 31.823 0.154 0.000 1.113 46 V HN -0.383 8.038 8.190 0.385 0.000 0.468 47 T N -1.300 113.298 114.554 0.072 0.000 3.029 47 T HA 0.443 4.939 4.350 -0.055 -0.180 0.346 47 T C -0.494 174.224 174.700 0.030 0.000 1.211 47 T CA -1.332 60.774 62.100 0.010 0.000 1.009 47 T CB -0.048 68.830 68.868 0.017 0.000 1.084 47 T HN -0.018 8.270 8.240 0.080 0.000 0.536 48 G N 4.343 113.136 108.800 -0.011 0.000 2.619 48 G HA2 0.230 4.311 3.960 0.202 0.000 0.305 48 G HA3 0.230 4.219 3.960 0.048 0.000 0.305 48 G C -3.004 171.895 174.900 -0.003 0.000 1.330 48 G CA -0.331 44.811 45.100 0.070 0.000 0.789 48 G HN -0.615 7.573 8.290 -0.171 0.000 0.487 49 E N 0.887 121.160 120.200 0.120 0.000 2.081 49 E HA 0.435 4.914 4.350 0.015 -0.120 0.281 49 E C -1.336 175.452 176.600 0.313 0.000 0.986 49 E CA -0.721 55.747 56.400 0.114 0.000 0.796 49 E CB 0.622 30.365 29.700 0.072 0.000 1.085 49 E HN 0.127 8.571 8.360 0.140 0.000 0.398 50 Y N 4.975 125.279 120.300 0.006 0.000 2.354 50 Y HA 0.039 4.603 4.550 -0.024 -0.028 0.322 50 Y C -0.361 175.498 175.900 -0.068 0.000 1.253 50 Y CA -2.569 55.512 58.100 -0.031 0.000 1.272 50 Y CB 1.915 40.346 38.460 -0.049 0.000 1.255 50 Y HN -0.205 8.144 8.280 0.116 0.000 0.500 51 R N 2.187 122.709 120.500 0.037 0.000 2.235 51 R HA 0.141 4.461 4.340 -0.034 0.000 0.338 51 R C -1.149 175.081 176.300 -0.116 0.000 1.087 51 R CA -0.761 55.308 56.100 -0.053 0.000 0.948 51 R CB -0.065 30.183 30.300 -0.086 0.000 1.099 51 R HN -0.129 8.205 8.270 -0.011 -0.071 0.483 52 I N 7.854 128.366 120.570 -0.097 0.000 2.499 52 I HA 0.500 4.764 4.170 -0.183 -0.205 0.296 52 I C -1.664 174.359 176.117 -0.155 0.000 0.992 52 I CA -0.653 60.574 61.300 -0.123 0.000 1.297 52 I CB 1.976 39.962 38.000 -0.023 0.000 1.410 52 I HN 0.694 8.868 8.210 -0.061 0.000 0.507 53 N N 2.364 120.979 118.700 -0.141 0.000 2.369 53 N HA 0.689 5.572 4.740 -0.150 -0.233 0.287 53 N C -1.616 173.889 175.510 -0.009 0.000 1.067 53 N CA -1.027 51.958 53.050 -0.109 0.000 0.888 53 N CB 3.270 41.680 38.487 -0.128 0.000 1.616 53 N HN -0.038 8.250 8.380 -0.154 0.000 0.482 54 L N 2.574 123.875 121.223 0.129 0.000 2.307 54 L HA 0.382 4.822 4.340 0.165 0.000 0.282 54 L C -0.755 176.325 176.870 0.349 0.000 1.051 54 L CA -0.651 54.334 54.840 0.242 0.000 0.804 54 L CB 2.525 44.762 42.059 0.296 0.000 1.197 54 L HN -0.147 8.183 8.230 0.167 0.000 0.431 55 T N 6.038 120.785 114.554 0.321 0.000 2.841 55 T HA 0.966 5.697 4.350 0.181 -0.272 0.283 55 T C -0.751 174.260 174.700 0.519 0.000 1.000 55 T CA -1.485 60.773 62.100 0.264 0.000 0.977 55 T CB 2.041 70.884 68.868 -0.043 0.000 0.979 55 T HN -0.250 8.147 8.240 0.262 0.000 0.446 56 W N 2.131 123.511 121.300 0.132 0.000 3.062 56 W HA 0.438 5.288 4.660 0.186 -0.078 0.336 56 W C -2.518 174.046 176.519 0.076 0.000 1.224 56 W CA -2.020 55.390 57.345 0.109 0.000 1.159 56 W CB 2.304 31.749 29.460 -0.024 0.000 1.454 56 W HN -0.000 8.068 8.180 -0.187 0.000 0.569 57 S N 0.524 116.329 115.700 0.175 0.000 2.689 57 S HA 0.231 4.901 4.470 -0.078 -0.247 0.151 57 S C -1.241 173.298 174.600 -0.101 0.000 1.155 57 S CA -0.356 57.833 58.200 -0.018 0.000 1.144 57 S CB 0.609 63.783 63.200 -0.043 0.000 1.526 57 S HN 0.289 8.736 8.310 0.228 0.000 0.419 58 S N 4.356 119.963 115.700 -0.155 0.000 2.622 58 S HA 0.491 4.618 4.470 -0.572 0.000 0.283 58 S C -1.835 172.307 174.600 -0.763 0.000 1.197 58 S CA -2.545 55.350 58.200 -0.508 0.000 1.146 58 S CB 0.974 63.989 63.200 -0.308 0.000 1.007 58 S HN 0.810 9.009 8.310 -0.047 0.083 0.478 59 P HA 0.109 4.386 4.420 -0.238 0.000 0.262 59 P C -1.825 175.320 177.300 -0.259 0.000 1.647 59 P CA 0.653 63.504 63.100 -0.416 0.000 0.865 59 P CB -1.939 29.671 31.700 -0.150 0.000 1.834 60 Y N -3.106 117.222 120.300 0.048 0.000 2.984 60 Y HA 0.319 4.892 4.550 0.038 0.000 0.129 60 Y C -0.410 175.519 175.900 0.048 0.000 0.904 60 Y CA -1.354 56.774 58.100 0.047 0.000 1.892 60 Y CB 1.275 39.768 38.460 0.055 0.000 1.267 60 Y HN 0.216 8.096 8.280 -0.503 0.098 0.255 61 S N -1.708 114.128 115.700 0.226 0.000 2.686 61 S HA 0.077 4.644 4.470 0.080 -0.050 0.273 61 S C -2.057 172.598 174.600 0.092 0.000 1.060 61 S CA 0.233 58.504 58.200 0.118 0.000 0.845 61 S CB 1.686 64.943 63.200 0.095 0.000 1.086 61 S HN -0.118 8.402 8.310 0.350 0.000 0.461 62 S N 0.331 116.031 115.700 -0.001 0.000 3.923 62 S HA 0.807 5.417 4.470 -0.028 -0.156 0.280 62 S C -1.586 172.943 174.600 -0.119 0.000 1.070 62 S CA -0.805 57.356 58.200 -0.066 0.000 1.300 62 S CB 1.913 65.007 63.200 -0.177 0.000 1.322 62 S HN 0.115 8.429 8.310 -0.002 -0.005 0.762 63 K N -1.106 119.236 120.400 -0.097 0.000 2.809 63 K HA 0.065 4.292 4.320 -0.125 0.018 0.293 63 K C -1.240 175.319 176.600 -0.069 0.000 1.061 63 K CA -1.872 54.328 56.287 -0.146 0.000 0.837 63 K CB 1.960 34.264 32.500 -0.328 0.000 1.524 63 K HN -0.147 8.075 8.250 -0.047 0.000 0.370 64 V N 1.393 121.195 119.914 -0.188 0.000 2.975 64 V HA -0.204 3.819 4.120 -0.162 0.000 0.300 64 V C -0.718 175.315 176.094 -0.103 0.000 1.186 64 V CA 0.979 63.170 62.300 -0.182 0.000 1.311 64 V CB -0.238 31.421 31.823 -0.274 0.000 0.917 64 V HN 0.253 8.279 8.190 -0.273 0.000 0.512 65 N N 2.159 120.802 118.700 -0.094 0.000 3.046 65 N HA 0.212 5.115 4.740 0.032 -0.145 0.243 65 N C -2.012 173.468 175.510 -0.050 0.000 1.452 65 N CA -0.437 52.606 53.050 -0.012 0.000 0.882 65 N CB 4.348 42.900 38.487 0.108 0.000 1.425 65 N HN -0.143 8.031 8.380 -0.178 0.099 0.517 66 T N 1.110 115.669 114.554 0.007 0.000 2.824 66 T HA 0.470 4.970 4.350 -0.015 -0.159 0.280 66 T C -1.056 173.650 174.700 0.011 0.000 0.995 66 T CA -0.746 61.357 62.100 0.005 0.000 1.009 66 T CB 1.222 70.107 68.868 0.028 0.000 0.955 66 T HN -0.045 8.223 8.240 0.047 0.000 0.452 67 L N 5.260 126.485 121.223 0.003 0.000 2.272 67 L HA 0.289 4.651 4.340 0.036 0.000 0.284 67 L C -1.571 175.321 176.870 0.038 0.000 1.045 67 L CA -1.028 53.824 54.840 0.020 0.000 0.842 67 L CB 0.579 42.633 42.059 -0.007 0.000 1.224 67 L HN 0.894 9.015 8.230 0.003 0.111 0.430 68 V N 7.837 127.781 119.914 0.051 0.000 2.322 68 V HA 0.226 4.562 4.120 -0.013 -0.223 0.258 68 V C -1.101 174.992 176.094 -0.002 0.000 1.074 68 V CA -0.330 61.978 62.300 0.014 0.000 0.909 68 V CB -0.744 31.088 31.823 0.015 0.000 1.090 68 V HN -0.157 8.077 8.190 0.073 0.000 0.486 69 M N 7.253 126.810 119.600 -0.073 0.000 2.134 69 M HA 0.293 4.681 4.480 -0.153 0.000 0.310 69 M C -0.387 175.506 176.300 -0.679 0.000 0.966 69 M CA -2.071 53.117 55.300 -0.187 0.000 0.922 69 M CB 0.729 33.434 32.600 0.175 0.000 1.537 69 M HN 0.821 9.077 8.290 -0.056 0.000 0.424 70 D N 3.523 122.795 120.400 -1.880 0.000 2.981 70 D HA -0.341 3.372 4.640 -1.544 0.000 0.223 70 D C -0.011 176.056 176.300 -0.389 0.000 1.151 70 D CA 1.512 54.763 54.000 -1.248 0.000 0.827 70 D CB -0.325 40.151 40.800 -0.541 0.000 1.101 70 D HN 0.738 7.400 8.370 -2.846 0.000 0.426 71 G N -4.615 103.982 108.800 -0.339 0.000 2.284 71 G HA2 -0.395 3.504 3.960 -0.102 0.000 0.230 71 G HA3 -0.395 3.488 3.960 -0.128 0.000 0.230 71 G C -0.223 174.615 174.900 -0.103 0.000 1.021 71 G CA 0.279 45.289 45.100 -0.149 0.000 0.619 71 G HN -0.238 7.749 8.290 -0.453 0.030 0.510 72 T N 4.171 118.658 114.554 -0.111 0.000 2.856 72 T HA 0.055 4.381 4.350 -0.040 0.000 0.292 72 T C -1.829 172.846 174.700 -0.040 0.000 0.980 72 T CA -0.132 61.934 62.100 -0.057 0.000 1.091 72 T CB 0.686 69.530 68.868 -0.039 0.000 0.936 72 T HN -0.605 7.439 8.240 -0.165 0.097 0.503 73 A N 6.149 128.959 122.820 -0.016 0.000 2.277 73 A HA 0.631 5.119 4.320 0.002 -0.168 0.318 73 A C -0.874 176.716 177.584 0.011 0.000 1.339 73 A CA -1.481 50.556 52.037 -0.000 0.000 0.875 73 A CB 0.773 19.774 19.000 0.003 0.000 1.158 73 A HN 0.164 8.305 8.150 -0.014 0.000 0.514 74 L N 0.929 122.166 121.223 0.023 0.000 2.375 74 L HA 0.436 4.792 4.340 0.027 0.000 0.271 74 L C -0.192 176.692 176.870 0.024 0.000 1.107 74 L CA -0.612 54.249 54.840 0.035 0.000 0.806 74 L CB 1.914 44.016 42.059 0.072 0.000 1.146 74 L HN 0.218 8.463 8.230 0.026 0.000 0.447 75 S N 2.636 118.340 115.700 0.006 0.000 2.414 75 S HA 0.036 4.484 4.470 -0.037 0.000 0.290 75 S C -1.046 173.512 174.600 -0.069 0.000 1.160 75 S CA 1.373 59.551 58.200 -0.035 0.000 1.069 75 S CB -0.193 62.977 63.200 -0.050 0.000 1.012 75 S HN 0.257 8.572 8.310 0.009 0.000 0.510 76 Y N 7.991 128.122 120.300 -0.281 0.000 2.363 76 Y HA 0.030 4.341 4.550 -0.398 0.000 0.325 76 Y C -2.508 173.006 175.900 -0.644 0.000 0.984 76 Y CA -0.758 57.053 58.100 -0.481 0.000 1.248 76 Y CB 2.963 41.057 38.460 -0.611 0.000 1.116 76 Y HN 0.349 8.584 8.280 -0.074 0.000 0.470 77 A N 7.600 130.034 122.820 -0.644 0.000 2.301 77 A HA 0.067 4.290 4.320 -0.304 -0.085 0.312 77 A C -1.759 175.636 177.584 -0.316 0.000 1.182 77 A CA -0.850 50.939 52.037 -0.413 0.000 0.826 77 A CB 1.000 19.830 19.000 -0.284 0.000 1.134 77 A HN 0.364 8.086 8.150 -0.714 0.000 0.501 78 F N -0.327 119.504 119.950 -0.199 0.000 2.978 78 F HA 0.179 4.641 4.527 -0.109 0.000 0.324 78 F C -2.917 172.799 175.800 -0.141 0.000 1.157 78 F CA -2.700 55.213 58.000 -0.145 0.000 0.879 78 F CB 0.294 39.236 39.000 -0.097 0.000 1.364 78 F HN -0.346 8.024 8.300 0.292 0.106 0.465 79 A N -1.750 121.103 122.820 0.055 0.000 2.806 79 A HA 0.054 4.335 4.320 -0.063 0.002 0.254 79 A C -1.307 176.188 177.584 -0.149 0.000 1.437 79 A CA -0.980 51.036 52.037 -0.034 0.000 0.903 79 A CB 1.705 20.753 19.000 0.080 0.000 1.609 79 A HN 0.083 8.367 8.150 0.223 0.000 0.505 80 E N -1.129 119.109 120.200 0.062 0.000 2.186 80 E HA 0.171 4.718 4.350 0.328 0.000 0.255 80 E C -1.668 175.024 176.600 0.152 0.000 0.881 80 E CA -1.323 55.171 56.400 0.157 0.000 0.752 80 E CB 1.288 30.998 29.700 0.015 0.000 1.176 80 E HN 0.211 8.595 8.360 0.064 0.015 0.421 81 A N 4.105 127.043 122.820 0.197 0.000 2.293 81 A HA 0.265 4.547 4.320 -0.062 0.000 0.302 81 A C -0.021 177.471 177.584 -0.154 0.000 1.119 81 A CA -0.777 51.202 52.037 -0.097 0.000 0.823 81 A CB 1.939 20.740 19.000 -0.332 0.000 1.097 81 A HN 0.209 8.668 8.150 0.516 0.000 0.491 82 T N -0.664 113.795 114.554 -0.157 0.000 2.942 82 T HA -0.274 4.085 4.350 -0.189 -0.123 0.265 82 T C -0.746 173.876 174.700 -0.129 0.000 1.062 82 T CA 1.365 63.373 62.100 -0.153 0.000 1.139 82 T CB 0.113 68.911 68.868 -0.116 0.000 0.883 82 T HN 0.256 8.417 8.240 -0.132 0.000 0.468 83 V N 1.287 121.112 119.914 -0.149 0.000 2.614 83 V HA 0.061 4.126 4.120 -0.090 0.000 0.291 83 V C -1.867 174.113 176.094 -0.189 0.000 1.049 83 V CA -2.419 59.798 62.300 -0.138 0.000 1.038 83 V CB -0.232 31.511 31.823 -0.134 0.000 0.980 83 V HN -0.520 7.574 8.190 -0.161 0.000 0.481 84 P HA -0.054 4.583 4.420 -0.019 -0.229 0.248 84 P C -1.325 175.834 177.300 -0.235 0.000 1.550 84 P CA -0.230 62.815 63.100 -0.093 0.000 1.252 84 P CB -0.888 30.801 31.700 -0.018 0.000 1.869 85 V N 5.985 125.615 119.914 -0.474 0.000 2.555 85 V HA -0.053 3.880 4.120 -0.312 0.000 0.286 85 V C -0.244 175.631 176.094 -0.366 0.000 1.044 85 V CA -0.098 61.891 62.300 -0.519 0.000 1.026 85 V CB 0.341 31.638 31.823 -0.877 0.000 0.981 85 V HN 0.305 8.096 8.190 -0.625 0.024 0.480 86 T N 7.370 121.853 114.554 -0.119 0.000 2.945 86 T HA 0.801 5.452 4.350 0.076 -0.256 0.286 86 T C -1.074 173.742 174.700 0.194 0.000 1.025 86 T CA -2.280 59.839 62.100 0.032 0.000 1.039 86 T CB 1.850 70.702 68.868 -0.026 0.000 1.068 86 T HN 0.028 8.201 8.240 -0.112 0.000 0.497 87 Y N 4.531 124.887 120.300 0.093 0.000 2.524 87 Y HA 0.245 4.865 4.550 0.116 0.000 0.347 87 Y C -2.948 172.973 175.900 0.035 0.000 1.005 87 Y CA -1.504 56.657 58.100 0.102 0.000 1.025 87 Y CB 3.202 41.737 38.460 0.126 0.000 1.275 87 Y HN -0.160 8.254 8.280 0.224 0.000 0.460 88 V N 4.796 124.255 119.914 -0.759 0.000 2.481 88 V HA 0.138 4.100 4.120 -0.447 -0.110 0.286 88 V C -0.520 174.931 176.094 -1.071 0.000 1.042 88 V CA -1.468 60.424 62.300 -0.679 0.000 0.928 88 V CB 0.345 31.984 31.823 -0.307 0.000 0.986 88 V HN 0.258 8.169 8.190 -0.465 0.000 0.462 89 Q N 4.906 124.378 119.800 -0.547 0.000 2.371 89 Q HA 0.354 4.540 4.340 -0.257 0.000 0.244 89 Q C -1.536 174.395 176.000 -0.115 0.000 0.882 89 Q CA -1.511 54.108 55.803 -0.306 0.000 0.866 89 Q CB 2.330 30.952 28.738 -0.193 0.000 1.399 89 Q HN 0.607 8.653 8.270 -0.373 0.000 0.432 90 T N -0.516 114.006 114.554 -0.055 0.000 2.829 90 T HA 0.624 5.137 4.350 -0.003 -0.164 0.282 90 T C -0.194 174.521 174.700 0.024 0.000 0.990 90 T CA -2.204 59.892 62.100 -0.007 0.000 1.028 90 T CB 1.504 70.369 68.868 -0.005 0.000 0.951 90 T HN -0.219 7.991 8.240 -0.051 0.000 0.460 91 K N 2.250 122.674 120.400 0.041 0.000 2.597 91 K HA 0.351 4.688 4.320 0.029 0.000 0.282 91 K C -2.198 174.412 176.600 0.016 0.000 0.975 91 K CA -1.426 54.883 56.287 0.037 0.000 0.867 91 K CB 3.618 36.150 32.500 0.053 0.000 1.465 91 K HN -0.021 8.260 8.250 0.052 0.000 0.417 92 T N -0.648 113.901 114.554 -0.008 0.000 2.771 92 T HA 0.180 4.649 4.350 -0.065 -0.157 0.291 92 T C -0.509 174.129 174.700 -0.104 0.000 0.954 92 T CA -0.765 61.305 62.100 -0.051 0.000 1.045 92 T CB 0.573 69.426 68.868 -0.025 0.000 0.917 92 T HN 0.063 8.304 8.240 0.001 0.000 0.484 93 L N 5.651 126.735 121.223 -0.233 0.000 2.333 93 L HA 0.549 4.962 4.340 -0.238 -0.216 0.269 93 L C -0.144 176.545 176.870 -0.302 0.000 1.010 93 L CA -2.658 51.998 54.840 -0.307 0.000 0.818 93 L CB 2.524 44.351 42.059 -0.387 0.000 1.306 93 L HN 0.836 8.773 8.230 -0.313 0.106 0.430 94 S N 1.629 117.136 115.700 -0.321 0.000 2.690 94 S HA 0.190 4.614 4.470 -0.078 0.000 0.291 94 S C -1.166 173.392 174.600 -0.069 0.000 1.138 94 S CA -1.461 56.672 58.200 -0.113 0.000 1.013 94 S CB 2.153 65.396 63.200 0.071 0.000 1.053 94 S HN -0.073 7.898 8.310 -0.564 0.000 0.539 95 A N 0.308 123.150 122.820 0.036 0.000 2.425 95 A HA 0.078 4.623 4.320 0.062 -0.187 0.249 95 A C 0.350 178.019 177.584 0.141 0.000 1.084 95 A CA 0.224 52.305 52.037 0.074 0.000 0.781 95 A CB 0.628 19.665 19.000 0.062 0.000 1.019 95 A HN 0.011 8.184 8.150 0.038 0.000 0.490 96 G N 3.850 112.739 108.800 0.148 0.000 2.301 96 G HA2 -0.202 3.854 3.960 0.161 0.000 0.194 96 G HA3 -0.202 3.822 3.960 0.108 0.000 0.194 96 G C -2.822 172.212 174.900 0.223 0.000 1.266 96 G CA -0.555 44.641 45.100 0.161 0.000 1.210 96 G HN -0.251 8.112 8.290 0.122 0.000 0.524 97 N N 1.300 120.118 118.700 0.197 0.000 2.399 97 N HA 0.572 5.755 4.740 0.225 -0.308 0.295 97 N C -0.963 174.654 175.510 0.178 0.000 1.048 97 N CA -0.505 52.657 53.050 0.187 0.000 0.886 97 N CB 1.777 40.314 38.487 0.084 0.000 1.185 97 N HN 0.110 8.566 8.380 0.126 0.000 0.487 98 H N 1.855 121.015 119.070 0.152 0.000 2.977 98 H HA 0.217 4.817 4.556 0.073 0.000 0.350 98 H C -2.049 173.385 175.328 0.176 0.000 1.238 98 H CA -0.156 55.982 56.048 0.150 0.000 1.124 98 H CB 4.303 34.206 29.762 0.234 0.000 1.866 98 H HN 0.056 8.552 8.280 0.360 0.000 0.550 99 S N 0.396 116.195 115.700 0.166 0.000 2.498 99 S HA 0.509 5.269 4.470 0.214 -0.161 0.317 99 S C -1.735 172.876 174.600 0.018 0.000 1.090 99 S CA -1.068 57.206 58.200 0.123 0.000 1.089 99 S CB 1.141 64.357 63.200 0.026 0.000 0.997 99 S HN 0.040 8.388 8.310 0.063 0.000 0.470 100 F N 4.746 124.773 119.950 0.127 0.000 2.538 100 F HA 0.506 5.209 4.527 0.129 -0.098 0.325 100 F C -0.798 175.158 175.800 0.260 0.000 1.066 100 F CA -1.297 56.793 58.000 0.150 0.000 0.946 100 F CB 4.433 43.484 39.000 0.085 0.000 1.199 100 F HN -0.411 8.152 8.300 0.439 0.000 0.473 101 G N -0.932 108.129 108.800 0.435 0.000 2.344 101 G HA2 0.165 4.467 3.960 0.281 0.000 0.282 101 G HA3 0.165 4.543 3.960 0.734 0.022 0.282 101 G C -2.917 172.147 174.900 0.273 0.000 1.281 101 G CA 0.789 46.146 45.100 0.428 0.000 0.877 101 G HN 0.680 9.113 8.290 0.366 0.077 0.494 102 V N -3.092 116.943 119.914 0.201 0.000 2.655 102 V HA 0.495 4.767 4.120 0.121 -0.079 0.301 102 V C -1.881 174.271 176.094 0.096 0.000 1.082 102 V CA -1.603 60.784 62.300 0.146 0.000 0.899 102 V CB 2.280 34.211 31.823 0.180 0.000 1.014 102 V HN -0.285 8.005 8.190 0.166 0.000 0.429 103 R N 4.202 124.748 120.500 0.076 0.000 3.029 103 R HA 0.319 4.698 4.340 0.066 0.000 0.239 103 R C -2.353 173.998 176.300 0.084 0.000 1.351 103 R CA -1.883 54.257 56.100 0.067 0.000 1.052 103 R CB 2.536 32.862 30.300 0.044 0.000 1.354 103 R HN -0.296 8.017 8.270 0.070 0.000 0.499 104 V N -1.546 118.425 119.914 0.095 0.000 2.435 104 V HA 0.270 4.471 4.120 0.136 0.000 0.290 104 V C -0.232 175.934 176.094 0.120 0.000 1.030 104 V CA -1.457 60.922 62.300 0.133 0.000 0.881 104 V CB 0.847 32.779 31.823 0.181 0.000 0.983 104 V HN -0.482 7.756 8.190 0.080 0.000 0.445 105 G N 4.833 113.715 108.800 0.137 0.000 2.535 105 G HA2 0.176 4.200 3.960 0.107 0.000 0.303 105 G HA3 0.176 4.187 3.960 0.085 0.000 0.303 105 G C -1.541 173.460 174.900 0.168 0.000 1.237 105 G CA -1.046 44.127 45.100 0.121 0.000 0.986 105 G HN -0.253 8.125 8.290 0.147 0.000 0.494 106 S N -1.450 114.323 115.700 0.121 0.000 2.348 106 S HA -0.059 4.436 4.470 0.041 0.000 0.219 106 S C 0.730 175.465 174.600 0.225 0.000 1.033 106 S CA 2.461 60.717 58.200 0.095 0.000 0.974 106 S CB 0.556 63.774 63.200 0.030 0.000 0.868 106 S HN -0.069 8.295 8.310 0.090 0.000 0.459 107 S N -0.823 115.013 115.700 0.227 0.000 2.436 107 S HA -0.063 4.625 4.470 0.363 0.000 0.228 107 S C -1.011 173.803 174.600 0.357 0.000 1.014 107 S CA 1.428 59.804 58.200 0.294 0.000 0.950 107 S CB 0.288 63.574 63.200 0.142 0.000 0.784 107 S HN -0.411 7.988 8.310 0.150 0.000 0.504 108 D N 1.421 121.982 120.400 0.268 0.000 2.454 108 D HA 0.338 4.921 4.640 -0.096 0.000 0.247 108 D C -2.220 174.203 176.300 0.205 0.000 1.129 108 D CA -0.866 53.189 54.000 0.092 0.000 0.877 108 D CB 0.300 41.097 40.800 -0.004 0.000 1.082 108 D HN -0.231 8.258 8.370 0.236 0.023 0.537 109 W N 0.849 122.150 121.300 0.002 0.000 2.736 109 W HA 0.234 4.921 4.660 0.045 0.000 0.335 109 W C -2.454 174.060 176.519 -0.009 0.000 1.059 109 W CA -1.762 55.599 57.345 0.027 0.000 1.226 109 W CB 2.348 31.840 29.460 0.054 0.000 1.416 109 W HN -0.329 7.624 8.180 -0.378 0.000 0.505 110 G N 0.177 109.048 108.800 0.118 0.000 2.682 110 G HA2 -0.033 4.025 3.960 -0.103 0.000 0.300 110 G HA3 -0.033 3.738 3.960 -0.315 0.000 0.300 110 G C -2.339 172.644 174.900 0.139 0.000 1.396 110 G CA -0.072 44.988 45.100 -0.066 0.000 1.104 110 G HN -0.134 8.317 8.290 0.269 0.000 0.587 111 Y N 0.430 120.790 120.300 0.100 0.000 2.637 111 Y HA -0.024 4.665 4.550 0.095 -0.083 0.350 111 Y C -0.744 175.190 175.900 0.058 0.000 1.069 111 Y CA -2.479 55.675 58.100 0.090 0.000 1.397 111 Y CB -0.908 37.610 38.460 0.096 0.000 1.163 111 Y HN 0.185 8.080 8.280 -0.641 0.000 0.527 112 M N -1.617 118.086 119.600 0.172 0.000 2.518 112 M HA 0.522 5.011 4.480 0.015 0.000 0.300 112 M C -2.208 174.135 176.300 0.071 0.000 1.175 112 M CA -1.930 53.387 55.300 0.030 0.000 0.890 112 M CB 3.788 36.304 32.600 -0.140 0.000 1.710 112 M HN -0.586 7.822 8.290 0.197 0.000 0.453 113 N N 1.344 120.083 118.700 0.065 0.000 2.508 113 N HA 0.101 4.950 4.740 0.118 -0.038 0.285 113 N C -1.205 174.390 175.510 0.142 0.000 1.144 113 N CA -0.369 52.749 53.050 0.113 0.000 0.978 113 N CB 1.848 40.406 38.487 0.118 0.000 1.180 113 N HN 0.133 8.728 8.380 0.027 -0.199 0.484 114 V N -0.606 119.416 119.914 0.181 0.000 2.376 114 V HA 0.099 4.405 4.120 0.311 0.000 0.287 114 V C -0.983 175.329 176.094 0.363 0.000 1.015 114 V CA -0.879 61.593 62.300 0.286 0.000 0.834 114 V CB 1.360 33.353 31.823 0.283 0.000 1.001 114 V HN 0.093 8.325 8.190 0.150 0.048 0.428 115 H N 9.274 128.519 119.070 0.292 0.000 2.284 115 H HA -0.042 4.635 4.556 0.203 0.000 0.304 115 H C -0.478 175.015 175.328 0.276 0.000 1.069 115 H CA 2.443 58.633 56.048 0.236 0.000 1.327 115 H CB 1.770 31.634 29.762 0.171 0.000 1.387 115 H HN 0.537 9.118 8.280 0.502 0.000 0.498 116 S N -5.814 110.133 115.700 0.410 0.000 2.608 116 S HA 0.043 4.779 4.470 0.291 -0.091 0.285 116 S C -2.451 172.095 174.600 -0.091 0.000 1.108 116 S CA 0.020 58.314 58.200 0.157 0.000 0.858 116 S CB 1.814 65.038 63.200 0.039 0.000 1.077 116 S HN -0.694 7.849 8.310 0.389 0.000 0.450 117 L N 2.531 123.456 121.223 -0.496 0.000 2.275 117 L HA 0.213 4.482 4.340 -0.117 0.000 0.288 117 L C -1.512 175.148 176.870 -0.351 0.000 1.046 117 L CA -0.210 54.438 54.840 -0.321 0.000 0.805 117 L CB 2.576 44.404 42.059 -0.385 0.000 1.193 117 L HN -0.012 7.590 8.230 -1.047 0.000 0.426 118 K N 4.404 124.610 120.400 -0.322 0.000 2.259 118 K HA 0.410 4.276 4.320 -0.756 0.000 0.252 118 K C -2.084 174.202 176.600 -0.523 0.000 0.936 118 K CA -2.116 53.867 56.287 -0.507 0.000 0.810 118 K CB 3.419 35.689 32.500 -0.384 0.000 1.143 118 K HN -0.142 7.986 8.250 -0.203 0.000 0.427 119 L N 4.371 125.082 121.223 -0.853 0.000 2.491 119 L HA 0.321 4.481 4.340 -0.504 -0.122 0.267 119 L C -2.341 173.877 176.870 -1.087 0.000 0.971 119 L CA -0.174 54.151 54.840 -0.858 0.000 0.857 119 L CB 3.298 44.814 42.059 -0.904 0.000 1.226 119 L HN 0.048 7.611 8.230 -1.112 0.000 0.408 120 E N 4.442 124.298 120.200 -0.574 0.000 2.405 120 E HA 0.309 4.389 4.350 -0.451 0.000 0.249 120 E C -0.292 176.075 176.600 -0.389 0.000 1.028 120 E CA -2.247 53.899 56.400 -0.422 0.000 0.897 120 E CB 3.897 33.440 29.700 -0.262 0.000 1.262 120 E HN 0.012 8.138 8.360 -0.391 0.000 0.442 121 L N 0.287 121.330 121.223 -0.299 0.000 2.737 121 L HA 0.059 3.951 4.340 -0.747 0.000 0.236 121 L C -1.086 175.686 176.870 -0.163 0.000 1.219 121 L CA -0.610 54.010 54.840 -0.366 0.000 1.021 121 L CB -0.418 41.493 42.059 -0.246 0.000 1.291 121 L HN 0.505 8.615 8.230 -0.199 0.000 0.470 122 L N -0.396 120.760 121.223 -0.111 0.000 3.721 122 L HA -0.268 4.039 4.340 -0.055 0.000 0.625 122 L C 0.285 177.126 176.870 -0.048 0.000 1.186 122 L CA -0.128 54.683 54.840 -0.048 0.000 0.961 122 L CB -0.713 41.356 42.059 0.016 0.000 1.418 122 L HN -0.413 7.624 8.230 -0.146 0.106 0.838 123 G N 0.000 108.763 108.800 -0.062 0.000 5.446 123 G HA2 0.000 nan 3.960 nan 0.000 0.244 123 G HA3 0.000 3.927 3.960 -0.055 0.000 0.244 123 G CA 0.000 45.070 45.100 -0.050 0.000 0.502 123 G HN 0.000 8.243 8.290 -0.078 0.000 0.925