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 2f65_1_A DATA FIRST_RESID 1 DATA SEQUENCE TVAYIAIGSN LASPLEQVNA ALKALGDIPE SHILTVSSFY RTPPLGPQDQ DATA SEQUENCE PDYLNAAVAL ETSLAPEELL NHTQRIELQQ GRVRKAERWG PRTLDLDIML DATA SEQUENCE FGNEVINTER LTVPHYDMKN RGFMLWPLFE IAPELVFPDG EMLRQILHTR DATA SEQUENCE AFDKLNKW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 4.290 4.350 -0.101 0.000 0.228 1 T C 0.000 174.658 174.700 -0.070 0.000 1.109 1 T CA 0.000 62.023 62.100 -0.128 0.000 1.349 1 T CB 0.000 68.664 68.868 -0.340 0.000 0.612 2 V N 7.243 127.137 119.914 -0.034 0.000 2.439 2 V HA -0.045 4.202 4.120 0.002 -0.126 0.271 2 V C -1.166 174.992 176.094 0.106 0.000 1.040 2 V CA 0.706 63.021 62.300 0.025 0.000 1.002 2 V CB -0.073 31.787 31.823 0.060 0.000 1.000 2 V HN 0.440 8.606 8.190 -0.040 0.000 0.477 3 A N 7.655 130.546 122.820 0.118 0.000 2.313 3 A HA 0.429 5.064 4.320 0.361 -0.099 0.323 3 A C -2.239 175.437 177.584 0.153 0.000 1.133 3 A CA -2.059 50.134 52.037 0.259 0.000 0.847 3 A CB 3.502 22.705 19.000 0.339 0.000 1.308 3 A HN 0.475 8.652 8.150 0.046 0.000 0.475 4 Y N -2.788 117.543 120.300 0.052 0.000 2.331 4 Y HA 0.522 5.245 4.550 -0.002 -0.174 0.334 4 Y C -0.778 175.107 175.900 -0.026 0.000 0.960 4 Y CA -1.750 56.349 58.100 -0.001 0.000 1.130 4 Y CB 3.115 41.560 38.460 -0.024 0.000 1.164 4 Y HN -0.312 8.194 8.280 0.377 0.000 0.458 5 I N 0.058 120.646 120.570 0.030 0.000 2.502 5 I HA 0.820 5.291 4.170 0.025 -0.285 0.276 5 I C -1.486 174.628 176.117 -0.005 0.000 1.057 5 I CA -2.949 58.358 61.300 0.011 0.000 1.163 5 I CB -0.054 37.941 38.000 -0.008 0.000 1.288 5 I HN 0.326 8.396 8.210 -0.061 0.103 0.479 6 A N 6.605 129.440 122.820 0.025 0.000 2.444 6 A HA 0.048 4.366 4.320 -0.002 0.000 0.287 6 A C -1.426 176.163 177.584 0.007 0.000 1.195 6 A CA -0.353 51.699 52.037 0.025 0.000 0.858 6 A CB -0.036 19.011 19.000 0.078 0.000 1.117 6 A HN -0.056 8.113 8.150 0.032 0.000 0.521 7 I N 4.122 124.658 120.570 -0.056 0.000 2.472 7 I HA 0.156 4.306 4.170 -0.033 0.000 0.290 7 I C -1.045 175.024 176.117 -0.080 0.000 1.016 7 I CA -1.163 60.094 61.300 -0.071 0.000 1.348 7 I CB 3.098 41.027 38.000 -0.118 0.000 1.417 7 I HN -0.618 7.534 8.210 -0.097 0.000 0.521 8 G N 5.207 113.982 108.800 -0.041 0.000 2.766 8 G HA2 0.119 4.062 3.960 -0.028 0.000 0.206 8 G HA3 0.119 4.095 3.960 0.028 0.000 0.206 8 G C -1.714 173.132 174.900 -0.091 0.000 2.072 8 G CA -0.739 44.344 45.100 -0.028 0.000 0.798 8 G HN 0.348 8.622 8.290 -0.026 0.000 0.703 9 S N -2.086 113.557 115.700 -0.094 0.000 3.327 9 S HA -0.355 4.231 4.470 -0.151 -0.206 0.844 9 S C -1.290 173.152 174.600 -0.264 0.000 1.110 9 S CA 0.147 58.253 58.200 -0.157 0.000 1.105 9 S CB 0.292 63.408 63.200 -0.139 0.000 0.752 9 S HN -0.023 8.253 8.310 -0.057 0.000 0.279 10 N N 0.053 118.546 118.700 -0.344 0.000 3.667 10 N HA 0.202 4.721 4.740 -0.368 0.000 0.347 10 N C -1.927 173.409 175.510 -0.291 0.000 1.550 10 N CA -0.534 52.223 53.050 -0.488 0.000 0.731 10 N CB 1.905 39.633 38.487 -1.264 0.000 2.741 10 N HN 0.017 8.239 8.380 -0.264 0.000 0.555 11 L N -1.507 119.554 121.223 -0.270 0.000 0.591 11 L HA -0.375 3.907 4.340 -0.096 0.000 0.356 11 L C -0.667 176.168 176.870 -0.058 0.000 1.004 11 L CA 0.729 55.496 54.840 -0.122 0.000 1.223 11 L CB -0.415 41.587 42.059 -0.095 0.000 0.054 11 L HN 0.121 8.186 8.230 -0.385 -0.066 0.096 12 A N 4.067 126.881 122.820 -0.011 0.000 1.818 12 A HA -0.356 3.991 4.320 0.045 0.000 0.310 12 A C -0.756 176.844 177.584 0.027 0.000 3.572 12 A CA 2.328 54.379 52.037 0.023 0.000 0.984 12 A CB -0.201 18.813 19.000 0.023 0.000 0.719 12 A HN 0.255 8.400 8.150 -0.008 0.000 0.500 13 S N -0.917 114.785 115.700 0.004 0.000 2.475 13 S HA 0.422 4.902 4.470 0.016 0.000 0.249 13 S C -1.170 173.402 174.600 -0.047 0.000 1.298 13 S CA -3.280 54.918 58.200 -0.004 0.000 1.125 13 S CB 0.207 63.411 63.200 0.007 0.000 1.054 13 S HN -0.224 8.083 8.310 -0.004 0.000 0.484 14 P HA 0.082 4.526 4.420 -0.116 -0.094 0.237 14 P C 0.166 177.398 177.300 -0.115 0.000 1.178 14 P CA 0.543 63.568 63.100 -0.125 0.000 0.766 14 P CB 0.374 31.966 31.700 -0.180 0.000 0.876 15 L N -1.486 119.676 121.223 -0.102 0.000 2.042 15 L HA -0.354 3.937 4.340 -0.082 0.000 0.210 15 L C 1.281 178.123 176.870 -0.047 0.000 1.076 15 L CA 3.586 58.380 54.840 -0.076 0.000 0.749 15 L CB -0.283 41.740 42.059 -0.060 0.000 0.893 15 L HN -0.180 7.924 8.230 -0.095 0.069 0.432 16 E N -2.596 117.579 120.200 -0.041 0.000 2.072 16 E HA -0.370 3.965 4.350 -0.025 0.000 0.191 16 E C 2.295 178.872 176.600 -0.038 0.000 0.985 16 E CA 2.847 59.228 56.400 -0.032 0.000 0.801 16 E CB -0.370 29.316 29.700 -0.025 0.000 0.750 16 E HN -0.612 7.716 8.360 -0.042 0.006 0.452 17 Q N -1.392 118.376 119.800 -0.053 0.000 2.030 17 Q HA -0.267 4.044 4.340 -0.049 0.000 0.204 17 Q C 3.060 179.024 176.000 -0.059 0.000 0.986 17 Q CA 2.500 58.267 55.803 -0.059 0.000 0.843 17 Q CB -0.446 28.243 28.738 -0.081 0.000 0.904 17 Q HN -0.458 7.777 8.270 -0.059 0.000 0.420 18 V N -0.036 119.835 119.914 -0.071 0.000 2.282 18 V HA -0.462 3.606 4.120 -0.087 0.000 0.249 18 V C 1.793 177.863 176.094 -0.040 0.000 1.057 18 V CA 4.217 66.475 62.300 -0.070 0.000 1.032 18 V CB -1.033 30.746 31.823 -0.074 0.000 0.645 18 V HN 0.417 8.558 8.190 -0.081 0.000 0.447 19 N N -0.933 117.752 118.700 -0.024 0.000 2.272 19 N HA -0.362 4.376 4.740 -0.004 0.000 0.185 19 N C 1.785 177.285 175.510 -0.018 0.000 1.014 19 N CA 2.537 55.579 53.050 -0.013 0.000 0.870 19 N CB -0.284 38.197 38.487 -0.011 0.000 0.975 19 N HN -0.405 7.959 8.380 -0.027 0.000 0.433 20 A N -0.353 122.453 122.820 -0.024 0.000 1.883 20 A HA -0.272 4.039 4.320 -0.015 0.000 0.217 20 A C 1.283 178.858 177.584 -0.016 0.000 1.186 20 A CA 3.068 55.094 52.037 -0.020 0.000 0.624 20 A CB -0.931 18.055 19.000 -0.023 0.000 0.822 20 A HN -0.146 7.830 8.150 -0.030 0.156 0.444 21 A N -1.559 121.247 122.820 -0.023 0.000 1.897 21 A HA -0.228 4.087 4.320 -0.009 0.000 0.215 21 A C 1.807 179.379 177.584 -0.021 0.000 1.181 21 A CA 2.396 54.421 52.037 -0.020 0.000 0.620 21 A CB -0.507 18.474 19.000 -0.032 0.000 0.821 21 A HN -0.671 7.460 8.150 -0.031 0.000 0.443 22 L N -2.433 118.775 121.223 -0.025 0.000 2.189 22 L HA -0.460 3.862 4.340 -0.031 0.000 0.214 22 L C 2.057 178.917 176.870 -0.017 0.000 1.097 22 L CA 2.926 57.752 54.840 -0.022 0.000 0.764 22 L CB -1.358 40.696 42.059 -0.009 0.000 0.900 22 L HN -0.306 7.907 8.230 -0.028 0.000 0.436 23 K N -2.041 118.351 120.400 -0.013 0.000 1.965 23 K HA -0.496 3.818 4.320 -0.010 0.000 0.214 23 K C 2.422 179.015 176.600 -0.012 0.000 1.042 23 K CA 3.592 59.873 56.287 -0.010 0.000 0.950 23 K CB -0.196 32.300 32.500 -0.008 0.000 0.733 23 K HN -0.199 7.903 8.250 -0.013 0.140 0.441 24 A N -0.673 122.143 122.820 -0.006 0.000 1.851 24 A HA -0.256 4.050 4.320 -0.024 0.000 0.216 24 A C 2.550 180.124 177.584 -0.016 0.000 1.195 24 A CA 2.749 54.781 52.037 -0.008 0.000 0.622 24 A CB -0.501 18.517 19.000 0.029 0.000 0.831 24 A HN -0.744 7.406 8.150 -0.002 0.000 0.444 25 L N -2.991 118.229 121.223 -0.006 0.000 2.263 25 L HA -0.283 4.055 4.340 -0.004 0.000 0.216 25 L C 2.222 179.075 176.870 -0.029 0.000 1.111 25 L CA 2.156 56.987 54.840 -0.015 0.000 0.773 25 L CB -0.443 41.602 42.059 -0.024 0.000 0.906 25 L HN 0.093 8.322 8.230 -0.001 0.000 0.439 26 G N -3.478 105.307 108.800 -0.025 0.000 2.433 26 G HA2 -0.284 3.648 3.960 -0.047 0.000 0.216 26 G HA3 -0.284 3.782 3.960 -0.014 -0.114 0.216 26 G C -0.819 174.088 174.900 0.013 0.000 1.186 26 G CA 1.738 46.825 45.100 -0.022 0.000 0.779 26 G HN -0.668 7.365 8.290 -0.021 0.245 0.543 27 D N -2.078 118.326 120.400 0.007 0.000 2.607 27 D HA 0.106 4.787 4.640 0.069 0.000 0.318 27 D C -0.981 175.299 176.300 -0.034 0.000 1.212 27 D CA -2.044 51.966 54.000 0.018 0.000 0.861 27 D CB -0.543 40.264 40.800 0.012 0.000 1.064 27 D HN -0.708 7.655 8.370 -0.012 0.000 0.500 28 I N 0.374 120.920 120.570 -0.041 0.000 2.634 28 I HA -0.018 4.027 4.170 -0.208 0.000 0.284 28 I C 0.864 176.919 176.117 -0.104 0.000 1.124 28 I CA -1.768 59.462 61.300 -0.117 0.000 1.417 28 I CB -0.108 37.852 38.000 -0.067 0.000 1.396 28 I HN -0.411 7.797 8.210 -0.004 0.000 0.571 29 P HA -0.310 4.057 4.420 -0.089 0.000 0.226 29 P C -0.626 176.651 177.300 -0.037 0.000 1.154 29 P CA 2.395 65.435 63.100 -0.101 0.000 0.901 29 P CB 0.085 31.722 31.700 -0.105 0.000 0.788 30 E N -6.741 113.452 120.200 -0.013 0.000 2.753 30 E HA 0.150 4.502 4.350 0.004 0.000 0.218 30 E C -1.596 175.027 176.600 0.038 0.000 0.956 30 E CA -0.739 55.670 56.400 0.015 0.000 1.244 30 E CB 1.246 30.964 29.700 0.030 0.000 1.114 30 E HN 0.263 8.590 8.360 -0.019 0.022 0.530 31 S N -0.505 115.220 115.700 0.041 0.000 2.745 31 S HA 0.374 5.116 4.470 0.080 -0.224 0.292 31 S C -1.467 173.208 174.600 0.125 0.000 1.133 31 S CA -0.894 57.349 58.200 0.071 0.000 0.998 31 S CB 2.136 65.369 63.200 0.056 0.000 1.087 31 S HN -0.536 7.650 8.310 0.014 0.133 0.551 32 H N 0.113 119.174 119.070 -0.016 0.000 3.163 32 H HA 0.188 4.728 4.556 -0.027 0.000 0.322 32 H C -1.131 174.178 175.328 -0.031 0.000 1.047 32 H CA 0.073 56.106 56.048 -0.024 0.000 1.418 32 H CB 2.142 31.891 29.762 -0.022 0.000 2.016 32 H HN -0.486 7.849 8.280 0.092 0.000 0.454 33 I N 6.445 126.732 120.570 -0.471 0.000 2.845 33 I HA -0.291 3.731 4.170 -0.247 0.000 0.296 33 I C -1.300 174.532 176.117 -0.475 0.000 1.216 33 I CA 2.929 63.993 61.300 -0.392 0.000 1.438 33 I CB 0.058 37.888 38.000 -0.284 0.000 1.342 33 I HN 0.320 8.306 8.210 -0.373 0.000 0.577 34 L N 5.687 126.753 121.223 -0.263 0.000 2.666 34 L HA 0.358 4.589 4.340 -0.182 0.000 0.184 34 L C -0.246 176.541 176.870 -0.138 0.000 1.092 34 L CA 0.212 54.944 54.840 -0.179 0.000 0.857 34 L CB 2.071 44.058 42.059 -0.121 0.000 1.281 34 L HN 0.307 8.401 8.230 -0.227 0.000 0.489 35 T N -2.328 112.133 114.554 -0.154 0.000 2.840 35 T HA 0.205 4.503 4.350 -0.087 0.000 0.287 35 T C -2.010 172.613 174.700 -0.129 0.000 0.991 35 T CA -0.865 61.162 62.100 -0.121 0.000 0.964 35 T CB 2.126 70.928 68.868 -0.111 0.000 0.954 35 T HN -0.144 7.980 8.240 -0.194 0.000 0.438 36 V N 6.451 126.321 119.914 -0.072 0.000 2.653 36 V HA 0.788 5.060 4.120 -0.090 -0.206 0.298 36 V C -1.975 174.150 176.094 0.052 0.000 1.097 36 V CA -1.055 61.216 62.300 -0.048 0.000 0.908 36 V CB 1.669 33.463 31.823 -0.049 0.000 1.024 36 V HN 0.340 8.501 8.190 -0.048 0.000 0.435 37 S N 7.864 123.595 115.700 0.051 0.000 2.715 37 S HA 0.212 4.996 4.470 0.524 0.000 0.284 37 S C -2.170 172.491 174.600 0.102 0.000 1.216 37 S CA -0.279 58.045 58.200 0.206 0.000 0.970 37 S CB 0.774 64.046 63.200 0.120 0.000 1.273 37 S HN 0.056 8.341 8.310 -0.043 0.000 0.509 38 S N -0.997 114.828 115.700 0.208 0.000 3.829 38 S HA -0.289 4.287 4.470 0.177 0.000 0.461 38 S C -1.504 173.180 174.600 0.141 0.000 0.849 38 S CA 1.083 59.368 58.200 0.142 0.000 1.323 38 S CB -1.161 62.012 63.200 -0.045 0.000 0.872 38 S HN 0.132 8.594 8.310 0.253 0.000 0.613 39 F N 1.192 121.148 119.950 0.009 0.000 2.420 39 F HA 0.628 5.196 4.527 -0.314 -0.229 0.352 39 F C 0.294 176.154 175.800 0.100 0.000 1.108 39 F CA -0.996 56.943 58.000 -0.101 0.000 1.162 39 F CB 0.624 39.567 39.000 -0.095 0.000 1.118 39 F HN -0.045 8.643 8.300 0.646 0.000 0.510 40 Y N -0.679 119.746 120.300 0.209 0.000 2.829 40 Y HA 0.680 5.546 4.550 0.475 -0.031 0.322 40 Y C -2.905 173.131 175.900 0.226 0.000 1.357 40 Y CA -2.665 55.616 58.100 0.301 0.000 1.081 40 Y CB 2.095 40.721 38.460 0.278 0.000 1.339 40 Y HN 0.434 8.303 8.280 -0.685 0.000 0.469 41 R N -2.002 118.858 120.500 0.599 0.000 2.732 41 R HA 0.309 4.825 4.340 0.293 0.000 0.278 41 R C -0.777 175.713 176.300 0.315 0.000 0.976 41 R CA -1.271 55.083 56.100 0.422 0.000 0.963 41 R CB 2.306 32.905 30.300 0.499 0.000 1.150 41 R HN -0.320 8.387 8.270 0.653 -0.045 0.478 42 T N 2.357 116.969 114.554 0.096 0.000 2.921 42 T HA 0.405 4.690 4.350 -0.108 0.000 0.297 42 T C -2.394 171.992 174.700 -0.524 0.000 1.013 42 T CA -2.232 59.741 62.100 -0.212 0.000 0.990 42 T CB 2.130 70.745 68.868 -0.420 0.000 1.023 42 T HN -0.226 8.100 8.240 0.142 0.000 0.447 43 P HA 0.257 4.532 4.420 -0.242 0.000 0.276 43 P C -1.401 175.565 177.300 -0.557 0.000 1.235 43 P CA -1.555 61.343 63.100 -0.336 0.000 0.772 43 P CB -0.839 30.796 31.700 -0.107 0.000 0.871 44 P HA -0.240 3.918 4.420 -0.436 0.000 0.210 44 P C -0.040 177.188 177.300 -0.121 0.000 1.185 44 P CA 0.935 63.880 63.100 -0.258 0.000 0.924 44 P CB 0.485 32.263 31.700 0.130 0.000 0.786 45 L N -2.537 118.664 121.223 -0.038 0.000 3.721 45 L HA -0.512 3.838 4.340 0.017 0.000 0.625 45 L C 0.087 176.974 176.870 0.027 0.000 1.186 45 L CA 0.285 55.127 54.840 0.004 0.000 0.961 45 L CB -1.941 40.125 42.059 0.011 0.000 1.418 45 L HN 0.009 8.226 8.230 -0.021 0.000 0.838 46 G N 0.957 109.780 108.800 0.040 0.000 2.083 46 G HA2 -0.192 3.795 3.960 0.044 0.000 0.199 46 G HA3 -0.192 3.800 3.960 0.054 0.000 0.199 46 G C -1.915 173.021 174.900 0.061 0.000 2.367 46 G CA 0.158 45.288 45.100 0.049 0.000 1.555 46 G HN -0.340 7.974 8.290 0.040 0.000 0.490 47 P HA -0.142 4.326 4.420 0.079 0.000 0.217 47 P C -0.771 176.583 177.300 0.089 0.000 1.148 47 P CA 0.979 64.133 63.100 0.090 0.000 0.828 47 P CB 0.376 32.146 31.700 0.118 0.000 0.783 48 Q N -7.261 112.599 119.800 0.100 0.000 3.110 48 Q HA 0.131 4.507 4.340 0.060 0.000 0.360 48 Q C -2.370 173.674 176.000 0.073 0.000 0.820 48 Q CA -0.353 55.502 55.803 0.087 0.000 0.845 48 Q CB 4.324 33.132 28.738 0.117 0.000 1.357 48 Q HN -0.511 7.800 8.270 0.109 0.024 0.480 49 D N -4.207 116.234 120.400 0.068 0.000 2.523 49 D HA 0.043 4.714 4.640 0.052 0.000 0.269 49 D C -1.324 175.015 176.300 0.065 0.000 1.374 49 D CA 0.449 54.481 54.000 0.053 0.000 0.820 49 D CB 0.623 41.440 40.800 0.028 0.000 1.211 49 D HN 0.259 8.670 8.370 0.069 0.000 0.502 50 Q N 0.941 120.796 119.800 0.092 0.000 2.421 50 Q HA 0.378 4.763 4.340 0.075 0.000 0.242 50 Q C -2.375 173.726 176.000 0.168 0.000 1.024 50 Q CA -2.459 53.403 55.803 0.099 0.000 0.891 50 Q CB 0.515 29.297 28.738 0.072 0.000 1.222 50 Q HN -0.422 7.911 8.270 0.105 0.000 0.483 51 P HA -0.079 4.439 4.420 0.164 0.000 0.276 51 P C -1.260 176.168 177.300 0.215 0.000 1.235 51 P CA -0.091 63.105 63.100 0.160 0.000 0.772 51 P CB 0.519 32.276 31.700 0.095 0.000 0.871 52 D N 1.333 121.934 120.400 0.334 0.000 2.738 52 D HA -0.079 4.744 4.640 0.305 0.000 0.058 52 D C -1.442 175.115 176.300 0.429 0.000 1.520 52 D CA -0.065 54.134 54.000 0.331 0.000 0.725 52 D CB 0.389 41.318 40.800 0.216 0.000 3.155 52 D HN -0.057 8.560 8.370 0.411 0.000 0.211 53 Y N -2.613 117.695 120.300 0.013 0.000 2.502 53 Y HA -0.397 4.204 4.550 -0.082 -0.100 0.036 53 Y C -0.791 175.028 175.900 -0.134 0.000 1.697 53 Y CA 1.468 59.529 58.100 -0.064 0.000 1.422 53 Y CB -0.193 38.217 38.460 -0.084 0.000 2.067 53 Y HN -0.025 8.336 8.280 0.135 0.000 0.253 54 L N 1.956 123.136 121.223 -0.073 0.000 2.588 54 L HA 0.306 4.681 4.340 -0.324 -0.230 0.256 54 L C -1.920 174.749 176.870 -0.335 0.000 1.083 54 L CA -0.043 54.623 54.840 -0.289 0.000 0.909 54 L CB 2.157 43.973 42.059 -0.405 0.000 1.121 54 L HN -0.045 8.168 8.230 -0.029 0.000 0.470 55 N N 3.600 122.032 118.700 -0.446 0.000 2.508 55 N HA 0.286 5.069 4.740 -0.363 -0.261 0.285 55 N C -1.693 173.279 175.510 -0.897 0.000 1.144 55 N CA -0.460 52.258 53.050 -0.553 0.000 0.978 55 N CB 2.409 40.669 38.487 -0.380 0.000 1.180 55 N HN -0.230 7.896 8.380 -0.424 0.000 0.484 56 A N -0.863 121.545 122.820 -0.687 0.000 2.513 56 A HA 0.616 4.687 4.320 -0.741 -0.196 0.296 56 A C -2.666 174.685 177.584 -0.388 0.000 1.052 56 A CA -0.761 50.820 52.037 -0.761 0.000 0.714 56 A CB 3.490 21.634 19.000 -1.426 0.000 1.279 56 A HN 0.138 8.015 8.150 -0.454 0.000 0.397 57 A N 2.693 125.378 122.820 -0.225 0.000 2.388 57 A HA 0.301 4.591 4.320 -0.050 0.000 0.257 57 A C -1.824 175.683 177.584 -0.129 0.000 1.095 57 A CA -0.621 51.365 52.037 -0.085 0.000 0.791 57 A CB 0.988 20.008 19.000 0.033 0.000 1.029 57 A HN -0.090 7.932 8.150 -0.214 0.000 0.489 58 V N 0.854 120.693 119.914 -0.125 0.000 2.789 58 V HA 0.614 4.786 4.120 -0.187 -0.164 0.311 58 V C -1.508 174.382 176.094 -0.340 0.000 1.073 58 V CA -1.208 60.978 62.300 -0.190 0.000 0.921 58 V CB 4.695 36.428 31.823 -0.150 0.000 1.009 58 V HN -0.070 8.078 8.190 -0.071 0.000 0.426 59 A N 5.452 128.011 122.820 -0.435 0.000 2.679 59 A HA 0.872 4.993 4.320 -0.684 -0.212 0.288 59 A C -2.127 175.246 177.584 -0.351 0.000 1.160 59 A CA -0.917 50.716 52.037 -0.673 0.000 0.763 59 A CB 1.649 19.879 19.000 -1.284 0.000 1.270 59 A HN 0.742 8.703 8.150 -0.315 0.000 0.417 60 L N 0.285 121.376 121.223 -0.220 0.000 2.313 60 L HA 0.673 5.015 4.340 -0.157 -0.097 0.268 60 L C -1.523 175.315 176.870 -0.053 0.000 1.010 60 L CA -2.004 52.756 54.840 -0.133 0.000 0.814 60 L CB 3.357 45.349 42.059 -0.111 0.000 1.304 60 L HN -0.385 7.727 8.230 -0.197 0.000 0.441 61 E N 1.096 121.289 120.200 -0.013 0.000 1.865 61 E HA 0.184 4.778 4.350 0.017 -0.234 0.269 61 E C -0.579 176.058 176.600 0.062 0.000 1.177 61 E CA -0.840 55.577 56.400 0.028 0.000 0.932 61 E CB -0.803 28.922 29.700 0.043 0.000 1.066 61 E HN 0.022 8.369 8.360 -0.021 0.000 0.405 62 T N 3.697 118.306 114.554 0.091 0.000 2.837 62 T HA 0.134 4.544 4.350 0.101 0.000 0.285 62 T C 0.006 174.803 174.700 0.161 0.000 0.984 62 T CA -1.549 60.630 62.100 0.132 0.000 1.049 62 T CB 0.504 69.475 68.868 0.172 0.000 0.947 62 T HN -0.316 7.982 8.240 0.097 0.000 0.472 63 S N 6.443 122.221 115.700 0.131 0.000 2.503 63 S HA 0.111 4.653 4.470 0.120 0.000 0.217 63 S C -0.504 174.198 174.600 0.169 0.000 0.999 63 S CA 1.257 59.533 58.200 0.127 0.000 0.914 63 S CB 0.873 64.119 63.200 0.077 0.000 0.782 63 S HN 0.308 8.683 8.310 0.107 0.000 0.520 64 L N -0.122 121.199 121.223 0.164 0.000 2.296 64 L HA 0.308 4.723 4.340 0.125 0.000 0.286 64 L C -0.691 176.237 176.870 0.095 0.000 1.023 64 L CA -1.560 53.358 54.840 0.130 0.000 0.812 64 L CB 0.602 42.726 42.059 0.107 0.000 1.223 64 L HN -0.929 7.349 8.230 0.152 0.043 0.421 65 A N 3.551 126.366 122.820 -0.009 0.000 2.583 65 A HA -0.015 3.843 4.320 -0.771 0.000 0.231 65 A C -0.687 176.749 177.584 -0.247 0.000 1.065 65 A CA -0.742 51.089 52.037 -0.344 0.000 0.760 65 A CB -1.133 17.661 19.000 -0.344 0.000 1.001 65 A HN 0.201 8.374 8.150 0.039 0.000 0.509 66 P HA -0.318 4.048 4.420 -0.090 0.000 0.221 66 P C 1.147 178.377 177.300 -0.116 0.000 1.141 66 P CA 2.583 65.583 63.100 -0.166 0.000 0.794 66 P CB -0.018 31.576 31.700 -0.176 0.000 0.764 67 E N -2.034 118.084 120.200 -0.136 0.000 2.038 67 E HA -0.343 3.953 4.350 -0.089 0.000 0.195 67 E C 2.590 179.135 176.600 -0.091 0.000 1.000 67 E CA 3.637 59.977 56.400 -0.099 0.000 0.803 67 E CB -0.570 29.074 29.700 -0.094 0.000 0.750 67 E HN 0.570 8.748 8.360 -0.189 0.069 0.448 68 E N -1.732 118.423 120.200 -0.076 0.000 2.076 68 E HA -0.151 4.106 4.350 -0.155 0.000 0.190 68 E C 2.344 178.913 176.600 -0.051 0.000 0.979 68 E CA 1.726 58.075 56.400 -0.084 0.000 0.807 68 E CB -0.141 29.559 29.700 0.000 0.000 0.761 68 E HN -0.430 7.888 8.360 -0.069 0.000 0.454 69 L N 1.139 122.377 121.223 0.024 0.000 1.963 69 L HA -0.378 4.067 4.340 0.176 0.000 0.220 69 L C 1.664 178.557 176.870 0.039 0.000 1.076 69 L CA 3.417 58.303 54.840 0.077 0.000 0.772 69 L CB -0.338 41.744 42.059 0.038 0.000 0.892 69 L HN -0.015 8.212 8.230 -0.005 0.000 0.435 70 L N -3.104 118.111 121.223 -0.014 0.000 2.042 70 L HA -0.349 3.990 4.340 -0.001 0.000 0.210 70 L C 2.448 179.292 176.870 -0.044 0.000 1.076 70 L CA 3.287 58.114 54.840 -0.021 0.000 0.749 70 L CB -0.997 41.044 42.059 -0.030 0.000 0.893 70 L HN 0.265 8.354 8.230 -0.030 0.123 0.432 71 N N -0.658 117.976 118.700 -0.110 0.000 2.037 71 N HA -0.423 4.246 4.740 -0.119 0.000 0.196 71 N C 2.675 178.088 175.510 -0.162 0.000 1.034 71 N CA 3.224 56.167 53.050 -0.178 0.000 0.861 71 N CB -0.458 37.849 38.487 -0.300 0.000 1.039 71 N HN -0.744 7.489 8.380 -0.116 0.077 0.427 72 H N -0.774 118.288 119.070 -0.013 0.000 2.321 72 H HA -0.138 4.412 4.556 -0.010 0.000 0.300 72 H C 2.338 177.658 175.328 -0.013 0.000 1.087 72 H CA 3.347 59.389 56.048 -0.011 0.000 1.319 72 H CB 0.016 29.774 29.762 -0.006 0.000 1.379 72 H HN -0.460 7.668 8.280 -0.253 0.000 0.501 73 T N -1.673 112.944 114.554 0.104 0.000 2.622 73 T HA -0.397 3.981 4.350 0.046 0.000 0.266 73 T C 2.167 176.878 174.700 0.019 0.000 1.047 73 T CA 3.991 66.118 62.100 0.046 0.000 1.159 73 T CB -0.044 68.839 68.868 0.025 0.000 0.863 73 T HN -0.314 7.990 8.240 0.106 0.000 0.422 74 Q N -0.123 119.680 119.800 0.003 0.000 2.364 74 Q HA -0.244 4.091 4.340 -0.009 0.000 0.207 74 Q C 2.236 178.231 176.000 -0.009 0.000 0.970 74 Q CA 2.200 57.998 55.803 -0.008 0.000 0.888 74 Q CB -0.646 28.083 28.738 -0.016 0.000 0.951 74 Q HN 0.348 8.618 8.270 0.000 0.000 0.469 75 R N 0.663 121.163 120.500 -0.001 0.000 2.083 75 R HA -0.308 4.025 4.340 -0.012 0.000 0.237 75 R C 2.710 179.014 176.300 0.007 0.000 1.137 75 R CA 3.410 59.512 56.100 0.003 0.000 0.951 75 R CB -0.258 30.059 30.300 0.029 0.000 0.851 75 R HN -0.463 7.638 8.270 0.008 0.173 0.434 76 I N -1.126 119.453 120.570 0.015 0.000 2.226 76 I HA -0.318 3.855 4.170 0.006 0.000 0.245 76 I C 1.987 178.100 176.117 -0.007 0.000 1.100 76 I CA 2.497 63.800 61.300 0.005 0.000 1.374 76 I CB -1.494 36.510 38.000 0.006 0.000 1.057 76 I HN -0.508 7.717 8.210 0.026 0.000 0.413 77 E N -1.025 119.169 120.200 -0.010 0.000 2.333 77 E HA -0.298 4.039 4.350 -0.022 0.000 0.198 77 E C 0.261 176.848 176.600 -0.021 0.000 1.007 77 E CA 2.432 58.820 56.400 -0.019 0.000 0.845 77 E CB -0.248 29.441 29.700 -0.019 0.000 0.766 77 E HN -0.510 7.777 8.360 -0.005 0.069 0.507 78 L N -3.791 117.421 121.223 -0.018 0.000 2.607 78 L HA 0.038 4.361 4.340 -0.027 0.000 0.228 78 L C -0.565 176.291 176.870 -0.022 0.000 1.123 78 L CA -0.235 54.592 54.840 -0.022 0.000 0.890 78 L CB 0.787 42.833 42.059 -0.022 0.000 1.103 78 L HN -0.607 7.403 8.230 -0.013 0.211 0.468 79 Q N -7.066 112.724 119.800 -0.018 0.000 2.052 79 Q HA 0.128 4.455 4.340 -0.021 0.000 0.250 79 Q C -0.666 175.325 176.000 -0.015 0.000 0.851 79 Q CA -0.106 55.687 55.803 -0.017 0.000 1.029 79 Q CB 0.675 29.406 28.738 -0.012 0.000 1.274 79 Q HN -0.198 7.864 8.270 -0.015 0.199 0.411 80 Q N 1.306 121.096 119.800 -0.018 0.000 2.006 80 Q HA 0.069 4.400 4.340 -0.015 0.000 0.158 80 Q C -0.568 175.419 176.000 -0.021 0.000 0.530 80 Q CA 0.190 55.983 55.803 -0.017 0.000 0.784 80 Q CB 2.171 30.900 28.738 -0.015 0.000 1.031 80 Q HN -0.606 7.652 8.270 -0.020 0.000 0.368 81 G N 1.135 109.920 108.800 -0.025 0.000 2.635 81 G HA2 -0.281 3.662 3.960 -0.029 0.000 0.289 81 G HA3 -0.281 3.854 3.960 -0.035 -0.196 0.289 81 G C -0.512 174.370 174.900 -0.029 0.000 0.705 81 G CA 0.670 45.752 45.100 -0.030 0.000 2.034 81 G HN 0.133 8.408 8.290 -0.025 0.000 0.519 82 R N 5.234 125.719 120.500 -0.025 0.000 2.632 82 R HA -0.546 3.781 4.340 -0.021 0.000 0.149 82 R C -0.139 176.141 176.300 -0.034 0.000 0.895 82 R CA 1.977 58.061 56.100 -0.026 0.000 1.623 82 R CB -1.331 28.954 30.300 -0.024 0.000 0.572 82 R HN 0.386 8.630 8.270 -0.022 0.012 0.671 83 V N -1.032 118.857 119.914 -0.042 0.000 3.301 83 V HA -0.343 3.898 4.120 -0.059 -0.157 0.170 83 V C 0.151 176.214 176.094 -0.051 0.000 0.500 83 V CA 1.057 63.328 62.300 -0.049 0.000 1.096 83 V CB -0.135 31.665 31.823 -0.039 0.000 1.244 83 V HN 0.019 8.175 8.190 -0.041 0.009 1.071 84 R N 0.031 120.499 120.500 -0.053 0.000 2.249 84 R HA -0.259 4.057 4.340 -0.041 0.000 0.230 84 R C -0.473 175.787 176.300 -0.065 0.000 1.121 84 R CA 1.806 57.876 56.100 -0.051 0.000 0.997 84 R CB 0.098 30.369 30.300 -0.047 0.000 0.867 84 R HN -0.144 8.039 8.270 -0.052 0.056 0.465 85 K N -3.422 116.927 120.400 -0.085 0.000 3.062 85 K HA -0.052 4.220 4.320 -0.080 0.000 0.214 85 K C -1.906 174.622 176.600 -0.120 0.000 1.349 85 K CA 0.237 56.464 56.287 -0.101 0.000 0.805 85 K CB -1.011 31.416 32.500 -0.121 0.000 1.242 85 K HN -0.624 7.495 8.250 -0.086 0.080 0.527 86 A N 2.394 125.160 122.820 -0.090 0.000 2.648 86 A HA -0.314 3.968 4.320 -0.063 0.000 0.297 86 A C -0.245 177.282 177.584 -0.096 0.000 1.467 86 A CA 1.182 53.169 52.037 -0.083 0.000 0.731 86 A CB -1.205 17.744 19.000 -0.085 0.000 1.085 86 A HN 0.119 8.226 8.150 -0.072 0.000 0.437 87 E N -6.258 113.894 120.200 -0.080 0.000 3.208 87 E HA -0.585 3.803 4.350 -0.056 -0.071 0.277 87 E C -0.079 176.456 176.600 -0.108 0.000 0.989 87 E CA 1.496 57.855 56.400 -0.067 0.000 0.850 87 E CB -0.933 28.744 29.700 -0.038 0.000 1.429 87 E HN 0.307 8.679 8.360 -0.069 -0.053 0.463 88 R N -3.027 117.346 120.500 -0.212 0.000 1.368 88 R HA -0.477 3.630 4.340 -0.512 -0.075 0.041 88 R C -0.969 174.983 176.300 -0.580 0.000 0.958 88 R CA 2.745 58.567 56.100 -0.463 0.000 1.925 88 R CB -1.355 28.679 30.300 -0.442 0.000 0.221 88 R HN -0.393 7.525 8.270 -0.186 0.241 0.717 89 W N -3.736 117.556 121.300 -0.013 0.000 2.879 89 W HA 0.373 5.029 4.660 -0.007 0.000 0.491 89 W C 1.631 178.141 176.519 -0.015 0.000 1.615 89 W CA -1.479 55.859 57.345 -0.011 0.000 1.532 89 W CB 0.739 30.193 29.460 -0.009 0.000 2.340 89 W HN -0.128 8.012 8.180 -0.022 0.027 0.706 90 G N 0.206 109.201 108.800 0.326 0.000 2.639 90 G HA2 -0.232 3.809 3.960 0.135 0.000 0.216 90 G HA3 -0.232 3.807 3.960 0.132 0.000 0.216 90 G C -1.578 173.368 174.900 0.077 0.000 1.267 90 G CA 1.094 46.287 45.100 0.155 0.000 0.801 90 G HN 0.298 8.845 8.290 0.427 0.000 0.592 91 P HA -0.085 4.655 4.420 -0.114 -0.388 0.275 91 P C -0.775 176.498 177.300 -0.044 0.000 1.262 91 P CA 0.123 63.200 63.100 -0.038 0.000 0.834 91 P CB 0.429 32.116 31.700 -0.022 0.000 1.098 92 R N -7.446 112.997 120.500 -0.096 0.000 3.983 92 R HA -0.438 3.844 4.340 -0.097 0.000 0.410 92 R C -0.284 175.967 176.300 -0.083 0.000 0.241 92 R CA 1.422 57.474 56.100 -0.080 0.000 1.310 92 R CB -0.978 29.301 30.300 -0.036 0.000 1.082 92 R HN 0.005 8.338 8.270 -0.143 -0.148 0.524 93 T N -3.768 110.751 114.554 -0.060 0.000 0.541 93 T HA -0.397 3.952 4.350 -0.043 -0.025 0.774 93 T C -1.462 173.203 174.700 -0.060 0.000 0.992 93 T CA 1.575 63.645 62.100 -0.050 0.000 4.077 93 T CB 0.518 69.364 68.868 -0.036 0.000 2.303 93 T HN 0.014 8.348 8.240 -0.052 -0.125 0.398 94 L N -0.269 120.928 121.223 -0.043 0.000 2.303 94 L HA 0.352 4.658 4.340 -0.056 0.000 0.266 94 L C -0.858 176.001 176.870 -0.018 0.000 1.011 94 L CA -1.004 53.812 54.840 -0.040 0.000 0.818 94 L CB 2.656 44.693 42.059 -0.037 0.000 1.326 94 L HN 0.218 8.428 8.230 -0.034 0.000 0.435 95 D N -0.548 119.849 120.400 -0.007 0.000 2.411 95 D HA 0.154 4.806 4.640 0.020 0.000 0.239 95 D C -1.833 174.489 176.300 0.036 0.000 1.307 95 D CA -0.064 53.950 54.000 0.023 0.000 0.930 95 D CB 0.342 41.171 40.800 0.047 0.000 1.395 95 D HN 0.329 8.689 8.370 -0.018 0.000 0.536 96 L N -0.552 120.685 121.223 0.023 0.000 2.325 96 L HA 0.812 5.444 4.340 0.038 -0.268 0.281 96 L C -1.780 175.110 176.870 0.033 0.000 1.004 96 L CA -1.620 53.234 54.840 0.024 0.000 0.823 96 L CB 1.922 43.979 42.059 -0.003 0.000 1.236 96 L HN -0.408 7.830 8.230 0.013 0.000 0.415 97 D N 1.480 121.912 120.400 0.052 0.000 2.392 97 D HA 0.316 4.981 4.640 0.041 0.000 0.246 97 D C -1.550 174.762 176.300 0.019 0.000 1.013 97 D CA -1.136 52.897 54.000 0.055 0.000 0.993 97 D CB 3.687 44.558 40.800 0.118 0.000 1.219 97 D HN -0.457 7.952 8.370 0.065 0.000 0.538 98 I N 0.163 120.739 120.570 0.009 0.000 2.331 98 I HA 0.666 5.147 4.170 0.009 -0.305 0.292 98 I C -0.937 175.103 176.117 -0.128 0.000 0.998 98 I CA -1.492 59.801 61.300 -0.012 0.000 1.267 98 I CB 1.083 39.085 38.000 0.004 0.000 1.386 98 I HN 0.294 8.523 8.210 0.030 0.000 0.476 99 M N 7.308 126.781 119.600 -0.210 0.000 2.276 99 M HA -0.014 3.738 4.480 -1.214 0.000 0.262 99 M C -0.373 175.849 176.300 -0.131 0.000 1.098 99 M CA 0.896 55.891 55.300 -0.508 0.000 1.167 99 M CB 1.324 33.664 32.600 -0.433 0.000 1.337 99 M HN 0.523 8.673 8.290 -0.045 0.113 0.446 100 L N -6.132 115.106 121.223 0.025 0.000 2.283 100 L HA 0.197 4.595 4.340 0.096 0.000 0.259 100 L C -1.841 175.204 176.870 0.293 0.000 1.027 100 L CA -1.179 53.727 54.840 0.110 0.000 0.828 100 L CB 3.294 45.355 42.059 0.004 0.000 1.380 100 L HN -0.847 7.449 8.230 0.110 0.000 0.425 101 F N 0.956 120.953 119.950 0.079 0.000 2.946 101 F HA 0.247 4.834 4.527 0.100 0.000 0.375 101 F C -0.463 175.391 175.800 0.089 0.000 1.320 101 F CA -0.752 57.299 58.000 0.085 0.000 1.181 101 F CB 1.273 40.310 39.000 0.061 0.000 2.051 101 F HN 0.521 8.966 8.300 0.242 0.000 0.622 102 G N 6.765 115.517 108.800 -0.080 0.000 2.159 102 G HA2 -0.484 3.433 3.960 -0.073 0.000 0.256 102 G HA3 -0.484 3.307 3.960 -0.283 0.000 0.256 102 G C -0.454 174.462 174.900 0.026 0.000 0.977 102 G CA 0.740 45.768 45.100 -0.120 0.000 0.652 102 G HN 0.542 8.870 8.290 0.064 0.000 0.531 103 N N -6.341 112.416 118.700 0.096 0.000 2.936 103 N HA -0.461 4.353 4.740 0.124 0.000 0.236 103 N C -0.479 175.147 175.510 0.193 0.000 0.930 103 N CA 2.002 55.161 53.050 0.181 0.000 0.966 103 N CB -1.223 37.454 38.487 0.316 0.000 1.090 103 N HN 0.438 8.818 8.380 0.097 0.057 0.592 104 E N -0.641 119.640 120.200 0.135 0.000 2.855 104 E HA -0.020 4.459 4.350 0.214 0.000 0.259 104 E C -0.708 175.935 176.600 0.073 0.000 1.390 104 E CA -0.694 55.785 56.400 0.133 0.000 1.069 104 E CB 1.038 30.798 29.700 0.099 0.000 1.172 104 E HN -0.707 7.603 8.360 0.082 0.099 0.668 105 V N -0.108 119.847 119.914 0.069 0.000 2.334 105 V HA 0.059 4.192 4.120 0.021 0.000 0.281 105 V C -1.429 174.713 176.094 0.080 0.000 1.016 105 V CA -0.250 62.076 62.300 0.043 0.000 0.832 105 V CB 0.236 32.067 31.823 0.013 0.000 0.999 105 V HN 0.211 8.454 8.190 0.088 0.000 0.439 106 I N 7.633 128.261 120.570 0.096 0.000 2.622 106 I HA 0.212 4.424 4.170 0.071 0.000 0.283 106 I C -2.551 173.603 176.117 0.063 0.000 1.202 106 I CA -1.266 60.089 61.300 0.093 0.000 1.075 106 I CB 2.797 40.889 38.000 0.153 0.000 1.274 106 I HN 0.185 8.451 8.210 0.093 0.000 0.450 107 N N 9.215 127.936 118.700 0.036 0.000 2.321 107 N HA 0.832 5.742 4.740 0.021 -0.157 0.299 107 N C -0.728 174.772 175.510 -0.015 0.000 1.048 107 N CA -0.736 52.323 53.050 0.014 0.000 0.836 107 N CB 2.228 40.724 38.487 0.015 0.000 1.269 107 N HN 0.170 8.571 8.380 0.034 0.000 0.486 108 T N 1.312 115.845 114.554 -0.035 0.000 3.368 108 T HA 0.228 4.552 4.350 -0.043 0.000 0.118 108 T C -0.278 174.386 174.700 -0.060 0.000 0.788 108 T CA 0.511 62.584 62.100 -0.046 0.000 0.733 108 T CB 0.924 69.766 68.868 -0.044 0.000 1.236 108 T HN 0.709 8.929 8.240 -0.033 0.000 0.259 109 E N -0.051 120.117 120.200 -0.054 0.000 3.027 109 E HA 0.167 4.479 4.350 -0.062 0.000 0.221 109 E C 0.764 177.341 176.600 -0.038 0.000 1.070 109 E CA 0.702 57.071 56.400 -0.052 0.000 1.705 109 E CB 0.661 30.333 29.700 -0.047 0.000 1.998 109 E HN 0.080 8.408 8.360 -0.053 0.000 0.976 110 R N -0.283 120.189 120.500 -0.046 0.000 2.280 110 R HA 0.029 4.352 4.340 -0.028 0.000 0.195 110 R C -0.590 175.676 176.300 -0.057 0.000 0.935 110 R CA -0.111 55.962 56.100 -0.046 0.000 1.033 110 R CB 0.787 31.050 30.300 -0.062 0.000 0.964 110 R HN -0.059 8.179 8.270 -0.054 0.000 0.489 111 L N -2.989 118.195 121.223 -0.065 0.000 2.436 111 L HA 0.284 4.585 4.340 -0.065 0.000 0.268 111 L C -2.660 174.202 176.870 -0.014 0.000 0.974 111 L CA 0.053 54.845 54.840 -0.080 0.000 0.826 111 L CB 3.367 45.305 42.059 -0.202 0.000 1.291 111 L HN -0.719 7.501 8.230 -0.060 -0.026 0.406 112 T N 5.971 120.553 114.554 0.048 0.000 3.755 112 T HA 0.259 4.842 4.350 0.074 -0.189 0.327 112 T C -0.214 174.576 174.700 0.150 0.000 0.801 112 T CA -1.201 60.961 62.100 0.102 0.000 1.026 112 T CB 0.666 69.609 68.868 0.126 0.000 1.040 112 T HN -0.066 8.204 8.240 0.050 0.000 0.470 113 V N 8.601 128.593 119.914 0.130 0.000 2.233 113 V HA -0.275 4.048 4.120 0.124 -0.129 0.247 113 V C -1.228 174.928 176.094 0.104 0.000 1.050 113 V CA 4.106 66.476 62.300 0.118 0.000 1.010 113 V CB -0.995 30.889 31.823 0.102 0.000 0.637 113 V HN -0.096 8.165 8.190 0.118 0.000 0.444 114 P HA -0.174 4.245 4.420 -0.001 0.000 0.217 114 P C -0.732 176.663 177.300 0.158 0.000 1.148 114 P CA 1.155 64.297 63.100 0.071 0.000 0.834 114 P CB 0.194 31.944 31.700 0.083 0.000 0.783 115 H N -3.639 115.496 119.070 0.108 0.000 3.766 115 H HA -0.413 4.282 4.556 0.156 -0.046 0.272 115 H C -1.866 173.559 175.328 0.161 0.000 0.687 115 H CA 0.653 56.778 56.048 0.130 0.000 0.794 115 H CB -0.929 28.866 29.762 0.055 0.000 1.335 115 H HN -0.638 7.671 8.280 0.261 0.129 0.304 116 Y N 6.623 126.689 120.300 -0.390 0.000 2.432 116 Y HA -0.006 4.403 4.550 -0.233 0.000 0.322 116 Y C -0.051 175.549 175.900 -0.500 0.000 1.246 116 Y CA -0.407 57.493 58.100 -0.333 0.000 1.268 116 Y CB 1.805 40.165 38.460 -0.167 0.000 1.276 116 Y HN 0.101 8.419 8.280 0.062 0.000 0.499 117 D N -4.891 115.409 120.400 -0.167 0.000 2.978 117 D HA -0.361 4.431 4.640 -0.091 -0.207 0.205 117 D C 0.289 176.469 176.300 -0.200 0.000 1.093 117 D CA 2.134 56.046 54.000 -0.145 0.000 1.006 117 D CB -1.077 39.677 40.800 -0.077 0.000 1.116 117 D HN 0.528 8.816 8.370 -0.138 0.000 0.419 118 M N -7.127 112.305 119.600 -0.281 0.000 2.067 118 M HA -0.318 4.139 4.480 -0.037 0.000 0.260 118 M C 1.510 177.751 176.300 -0.098 0.000 1.069 118 M CA 2.921 58.154 55.300 -0.113 0.000 1.117 118 M CB 0.593 33.215 32.600 0.036 0.000 1.334 118 M HN -0.473 7.491 8.290 -0.378 0.100 0.407 119 K N -2.268 118.067 120.400 -0.108 0.000 2.089 119 K HA -0.413 3.867 4.320 -0.067 0.000 0.210 119 K C 0.314 176.869 176.600 -0.074 0.000 1.048 119 K CA 2.577 58.813 56.287 -0.085 0.000 0.926 119 K CB -1.015 31.428 32.500 -0.095 0.000 0.714 119 K HN 0.446 8.613 8.250 -0.138 0.000 0.448 120 N N -3.135 115.515 118.700 -0.083 0.000 2.758 120 N HA 0.000 4.730 4.740 -0.018 0.000 0.293 120 N C -0.792 174.637 175.510 -0.135 0.000 1.273 120 N CA -0.284 52.733 53.050 -0.055 0.000 1.022 120 N CB -1.234 37.240 38.487 -0.021 0.000 1.334 120 N HN -0.092 8.224 8.380 -0.097 0.006 0.519 121 R N 0.125 120.474 120.500 -0.252 0.000 2.672 121 R HA 0.197 3.923 4.340 -1.023 0.000 0.228 121 R C -0.559 175.390 176.300 -0.585 0.000 1.501 121 R CA 0.139 55.850 56.100 -0.648 0.000 1.514 121 R CB 0.724 30.736 30.300 -0.480 0.000 1.489 121 R HN -0.416 7.659 8.270 -0.170 0.093 0.747 122 G N -0.510 108.048 108.800 -0.403 0.000 2.586 122 G HA2 -0.209 3.696 3.960 -0.092 0.000 0.215 122 G HA3 -0.209 3.666 3.960 -0.142 0.000 0.215 122 G C -0.103 174.717 174.900 -0.133 0.000 1.128 122 G CA 1.310 46.294 45.100 -0.194 0.000 0.774 122 G HN 0.409 8.514 8.290 -0.310 0.000 0.543 123 F N -5.918 114.033 119.950 0.001 0.000 2.798 123 F HA 0.165 4.719 4.527 0.045 0.000 0.291 123 F C -2.029 173.955 175.800 0.306 0.000 1.174 123 F CA -2.029 56.060 58.000 0.148 0.000 1.392 123 F CB -1.777 37.310 39.000 0.145 0.000 0.966 123 F HN -0.572 6.994 8.300 -1.094 0.078 0.509 124 M N -1.928 117.789 119.600 0.195 0.000 1.794 124 M HA 0.101 4.753 4.480 0.286 0.000 0.292 124 M C -0.081 176.318 176.300 0.165 0.000 0.966 124 M CA 0.649 56.069 55.300 0.201 0.000 1.072 124 M CB 2.025 34.694 32.600 0.114 0.000 2.031 124 M HN -0.574 7.656 8.290 0.065 0.099 0.719 125 L N -1.659 119.640 121.223 0.126 0.000 2.202 125 L HA -0.106 4.310 4.340 0.127 0.000 0.205 125 L C 1.064 178.083 176.870 0.249 0.000 1.083 125 L CA 2.901 57.825 54.840 0.142 0.000 0.790 125 L CB 0.011 42.117 42.059 0.077 0.000 0.942 125 L HN -0.639 7.629 8.230 0.063 0.000 0.452 126 W N 0.323 121.645 121.300 0.037 0.000 2.335 126 W HA -0.256 4.426 4.660 0.036 0.000 0.311 126 W C -1.179 175.462 176.519 0.202 0.000 1.213 126 W CA 3.514 60.892 57.345 0.055 0.000 1.274 126 W CB -1.889 27.516 29.460 -0.091 0.000 1.148 126 W HN -0.707 7.653 8.180 0.300 0.000 0.498 127 P HA -0.193 3.968 4.420 -0.431 0.000 0.214 127 P C 1.427 178.678 177.300 -0.082 0.000 1.163 127 P CA 2.582 65.596 63.100 -0.144 0.000 0.883 127 P CB -0.512 31.310 31.700 0.203 0.000 0.788 128 L N -4.732 116.545 121.223 0.089 0.000 2.201 128 L HA -0.172 4.245 4.340 0.129 0.000 0.212 128 L C 1.364 178.332 176.870 0.163 0.000 1.105 128 L CA 2.652 57.599 54.840 0.179 0.000 0.775 128 L CB -1.300 40.976 42.059 0.362 0.000 0.913 128 L HN -0.899 7.414 8.230 0.138 0.000 0.440 129 F N 0.414 120.369 119.950 0.007 0.000 2.333 129 F HA -0.237 4.326 4.527 0.061 0.000 0.300 129 F C 1.044 176.831 175.800 -0.022 0.000 1.083 129 F CA 2.204 60.230 58.000 0.043 0.000 1.395 129 F CB 0.195 39.311 39.000 0.192 0.000 1.056 129 F HN -0.302 8.024 8.300 0.272 0.137 0.529 130 E N 0.203 120.309 120.200 -0.157 0.000 2.122 130 E HA -0.166 4.043 4.350 -0.234 0.000 0.190 130 E C 1.510 178.024 176.600 -0.143 0.000 0.977 130 E CA 1.505 57.768 56.400 -0.228 0.000 0.820 130 E CB 0.028 29.536 29.700 -0.320 0.000 0.770 130 E HN -0.318 7.781 8.360 -0.140 0.177 0.462 131 I N -7.035 113.488 120.570 -0.078 0.000 3.419 131 I HA 0.254 4.394 4.170 -0.049 0.000 0.286 131 I C 0.081 176.191 176.117 -0.012 0.000 1.268 131 I CA -0.009 61.269 61.300 -0.037 0.000 1.414 131 I CB 1.192 39.181 38.000 -0.019 0.000 1.074 131 I HN -0.810 7.269 8.210 -0.057 0.097 0.457 132 A N -0.193 122.617 122.820 -0.017 0.000 2.517 132 A HA 0.249 4.544 4.320 -0.042 0.000 0.300 132 A C -2.841 174.697 177.584 -0.078 0.000 1.225 132 A CA -0.400 51.637 52.037 -0.001 0.000 0.883 132 A CB 0.238 19.332 19.000 0.156 0.000 1.459 132 A HN -0.042 8.032 8.150 -0.049 0.047 0.437 133 P HA 0.267 4.491 4.420 -0.326 0.000 0.218 133 P C -1.697 175.534 177.300 -0.116 0.000 1.826 133 P CA -0.130 62.694 63.100 -0.460 0.000 0.946 133 P CB -1.119 29.888 31.700 -1.156 0.000 1.728 134 E N -3.283 116.908 120.200 -0.015 0.000 2.712 134 E HA 0.140 4.519 4.350 0.049 0.000 0.221 134 E C 0.172 176.805 176.600 0.056 0.000 0.943 134 E CA -0.847 55.570 56.400 0.028 0.000 1.259 134 E CB 1.035 30.738 29.700 0.005 0.000 1.167 134 E HN -0.607 7.659 8.360 -0.011 0.087 0.569 135 L N 0.566 121.816 121.223 0.044 0.000 1.944 135 L HA -0.320 4.047 4.340 0.045 0.000 0.218 135 L C 1.554 178.477 176.870 0.089 0.000 1.075 135 L CA 2.766 57.622 54.840 0.027 0.000 0.767 135 L CB -0.353 41.640 42.059 -0.109 0.000 0.890 135 L HN -0.625 7.626 8.230 0.035 0.000 0.434 136 V N -3.159 116.803 119.914 0.079 0.000 0.657 136 V HA -0.647 3.765 4.120 0.065 -0.253 0.092 136 V C 1.510 177.668 176.094 0.105 0.000 1.253 136 V CA 2.868 65.224 62.300 0.093 0.000 3.207 136 V CB -0.884 31.009 31.823 0.116 0.000 0.436 136 V HN -0.504 7.728 8.190 0.069 0.000 0.427 137 F N 0.713 120.668 119.950 0.008 0.000 2.083 137 F HA -0.407 4.127 4.527 0.011 0.000 0.280 137 F C -1.085 174.721 175.800 0.011 0.000 1.078 137 F CA 4.378 62.383 58.000 0.008 0.000 1.335 137 F CB -2.732 36.272 39.000 0.007 0.000 0.935 137 F HN -0.195 8.257 8.300 0.274 0.013 0.498 138 P HA -0.339 3.812 4.420 -0.448 0.000 0.229 138 P C -0.178 176.916 177.300 -0.344 0.000 1.147 138 P CA 2.240 65.125 63.100 -0.358 0.000 0.949 138 P CB -0.071 31.558 31.700 -0.117 0.000 0.786 139 D N -6.360 113.918 120.400 -0.203 0.000 2.500 139 D HA 0.080 4.620 4.640 -0.167 0.000 0.217 139 D C 0.243 176.481 176.300 -0.104 0.000 1.159 139 D CA -0.632 53.281 54.000 -0.144 0.000 0.828 139 D CB 1.693 42.439 40.800 -0.091 0.000 1.039 139 D HN -0.533 7.746 8.370 -0.141 0.007 0.512 140 G N -2.587 106.166 108.800 -0.077 0.000 2.179 140 G HA2 -0.304 3.697 3.960 0.067 0.000 0.220 140 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.220 140 G C -0.744 174.172 174.900 0.026 0.000 0.990 140 G CA -0.038 45.067 45.100 0.007 0.000 0.646 140 G HN -0.727 7.379 8.290 -0.102 0.123 0.517 141 E N -1.117 119.089 120.200 0.010 0.000 2.314 141 E HA 0.314 4.801 4.350 0.035 -0.116 0.272 141 E C 0.036 176.656 176.600 0.034 0.000 0.884 141 E CA -2.062 54.349 56.400 0.019 0.000 0.753 141 E CB 2.522 32.218 29.700 -0.006 0.000 1.213 141 E HN -0.658 7.634 8.360 -0.013 0.060 0.432 142 M N 3.571 123.209 119.600 0.062 0.000 1.676 142 M HA -0.278 4.375 4.480 0.111 -0.106 0.088 142 M C -0.413 175.927 176.300 0.066 0.000 0.978 142 M CA 2.885 58.250 55.300 0.108 0.000 0.510 142 M CB 0.251 32.980 32.600 0.215 0.000 0.633 142 M HN 0.919 9.658 8.290 0.062 -0.412 0.280 143 L N -2.858 118.429 121.223 0.106 0.000 2.541 143 L HA 0.181 4.542 4.340 0.034 0.000 0.187 143 L C 2.200 179.043 176.870 -0.044 0.000 1.098 143 L CA 2.219 57.094 54.840 0.059 0.000 0.846 143 L CB -0.806 41.335 42.059 0.137 0.000 1.151 143 L HN 0.138 8.509 8.230 0.235 0.000 0.492 144 R N -0.544 119.799 120.500 -0.261 0.000 2.115 144 R HA -0.465 3.792 4.340 -0.138 0.000 0.226 144 R C 1.206 177.312 176.300 -0.324 0.000 1.100 144 R CA 3.476 59.332 56.100 -0.406 0.000 0.980 144 R CB -0.224 29.508 30.300 -0.946 0.000 0.875 144 R HN 0.326 8.401 8.270 -0.325 0.000 0.445 145 Q N -3.314 116.284 119.800 -0.337 0.000 2.226 145 Q HA -0.179 4.066 4.340 -0.159 0.000 0.204 145 Q C 1.225 177.200 176.000 -0.041 0.000 0.975 145 Q CA 2.393 58.103 55.803 -0.155 0.000 0.866 145 Q CB -1.218 27.459 28.738 -0.103 0.000 0.915 145 Q HN 0.208 8.232 8.270 -0.408 0.000 0.440 146 I N -2.262 118.278 120.570 -0.051 0.000 2.333 146 I HA -0.267 3.885 4.170 -0.030 0.000 0.246 146 I C 1.613 177.711 176.117 -0.031 0.000 1.106 146 I CA 2.610 63.888 61.300 -0.035 0.000 1.411 146 I CB 0.216 38.193 38.000 -0.038 0.000 1.082 146 I HN -0.891 7.243 8.210 -0.074 0.031 0.420 147 L N -4.576 116.630 121.223 -0.029 0.000 2.313 147 L HA 0.005 4.583 4.340 -0.021 -0.251 0.214 147 L C 1.351 178.224 176.870 0.005 0.000 1.119 147 L CA 2.009 56.840 54.840 -0.014 0.000 0.809 147 L CB -0.423 41.626 42.059 -0.016 0.000 0.933 147 L HN -0.791 7.338 8.230 -0.042 0.076 0.449 148 H N -0.014 118.989 119.070 -0.112 0.000 2.457 148 H HA -0.061 4.639 4.556 -0.121 -0.216 0.294 148 H C 1.187 176.458 175.328 -0.094 0.000 1.064 148 H CA 2.340 58.315 56.048 -0.123 0.000 1.330 148 H CB 0.916 30.579 29.762 -0.165 0.000 1.395 148 H HN 0.155 8.237 8.280 0.050 0.227 0.541 149 T N -7.542 106.977 114.554 -0.058 0.000 3.010 149 T HA 0.099 4.354 4.350 -0.159 0.000 0.257 149 T C 0.842 175.489 174.700 -0.088 0.000 1.020 149 T CA 1.046 63.090 62.100 -0.093 0.000 0.938 149 T CB 0.962 69.809 68.868 -0.036 0.000 1.049 149 T HN -0.650 7.559 8.240 -0.002 0.030 0.522 150 R N 0.082 120.540 120.500 -0.069 0.000 2.191 150 R HA 0.195 4.495 4.340 -0.068 0.000 0.187 150 R C 0.088 176.360 176.300 -0.047 0.000 1.078 150 R CA 0.391 56.455 56.100 -0.060 0.000 1.139 150 R CB 1.042 31.311 30.300 -0.053 0.000 1.120 150 R HN -0.440 7.674 8.270 -0.055 0.123 0.536 151 A N -0.517 122.302 122.820 -0.001 0.000 3.129 151 A HA -0.081 4.293 4.320 0.091 0.000 0.200 151 A C -0.571 177.087 177.584 0.122 0.000 1.924 151 A CA 0.783 52.889 52.037 0.116 0.000 0.781 151 A CB 0.205 19.305 19.000 0.166 0.000 1.283 151 A HN -0.336 7.715 8.150 -0.007 0.095 0.467 152 F N -3.734 116.149 119.950 -0.113 0.000 2.906 152 F HA 0.196 4.645 4.527 -0.131 0.000 0.191 152 F C -0.640 175.043 175.800 -0.194 0.000 1.351 152 F CA -0.572 57.347 58.000 -0.136 0.000 0.928 152 F CB 2.069 41.003 39.000 -0.111 0.000 2.092 152 F HN -0.240 8.284 8.300 0.374 0.000 0.523 153 D N -6.951 113.485 120.400 0.060 0.000 1.979 153 D HA 0.065 4.812 4.640 0.178 0.000 0.399 153 D C -0.724 175.474 176.300 -0.171 0.000 1.016 153 D CA 0.449 54.459 54.000 0.017 0.000 0.928 153 D CB 2.023 42.754 40.800 -0.114 0.000 1.739 153 D HN 0.077 8.553 8.370 0.176 0.000 0.537 154 K N -0.638 119.571 120.400 -0.318 0.000 2.385 154 K HA 0.131 3.599 4.320 -1.420 0.000 0.341 154 K C -2.430 173.903 176.600 -0.446 0.000 1.328 154 K CA -0.073 55.743 56.287 -0.785 0.000 1.154 154 K CB -0.126 31.922 32.500 -0.753 0.000 1.409 154 K HN -0.452 7.732 8.250 -0.112 0.000 0.464 155 L N 4.044 124.994 121.223 -0.454 0.000 2.466 155 L HA 0.105 4.393 4.340 -0.086 0.000 0.257 155 L C -0.335 176.564 176.870 0.048 0.000 1.189 155 L CA -0.283 54.465 54.840 -0.153 0.000 0.813 155 L CB 0.946 42.858 42.059 -0.247 0.000 1.118 155 L HN 0.295 8.084 8.230 -0.735 0.000 0.471 156 N N 0.136 118.904 118.700 0.113 0.000 2.529 156 N HA -0.038 4.815 4.740 0.188 0.000 0.278 156 N C -0.043 175.664 175.510 0.328 0.000 1.146 156 N CA 0.171 53.339 53.050 0.197 0.000 0.980 156 N CB 0.958 39.538 38.487 0.156 0.000 1.124 156 N HN 0.305 8.737 8.380 0.086 0.000 0.458 157 K N 4.893 125.504 120.400 0.353 0.000 2.408 157 K HA -0.134 4.581 4.320 0.568 -0.055 0.231 157 K C -0.402 176.487 176.600 0.482 0.000 1.261 157 K CA -0.242 56.311 56.287 0.444 0.000 1.193 157 K CB -1.521 31.189 32.500 0.351 0.000 1.431 157 K HN 0.297 8.721 8.250 0.290 0.000 0.243 158 W N 0.000 121.473 121.300 0.289 0.000 2.388 158 W HA 0.000 4.831 4.660 0.207 -0.046 0.303 158 W CA 0.000 57.470 57.345 0.209 0.000 1.226 158 W CB 0.000 29.577 29.460 0.195 0.000 1.126 158 W HN 0.000 8.533 8.180 0.618 0.018 0.535