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 2zpt_1_X DATA FIRST_RESID 6 DATA SEQUENCE DVFRRELVDV EGIPLFWSIA EHWSQVESFE ARPDDILIST YPKSGTTWVS DATA SEQUENCE EILDLIYNNG DAEKCKRDAI YKRVPFMELI IPGITNGVEM LNNMPSPRIV DATA SEQUENCE KTHLPVQLLP SSFWKNDCKI IYVARNAKDV VVSYYYFYQM AKIHPEPGTW DATA SEQUENCE EEFLEKFMAG QVSFGPWYDH VKSWWEKRKE YRILYLFYED MKENPKCEIQ DATA SEQUENCE KILKFLEKDI PEEILNKILY HSSFSVMKEN PSANYTTMMK EEMDHSVSPF DATA SEQUENCE MRKGISGDWK NQFTVAQYEK FEEDYVKKME DSTLKFRS 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 6 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 6 D C 0.000 176.231 176.300 -0.115 0.000 2.045 6 D CA 0.000 53.980 54.000 -0.034 0.000 0.868 6 D CB 0.000 40.807 40.800 0.011 0.000 0.688 7 V N 1.032 120.838 119.914 -0.180 0.000 3.141 7 V HA 0.318 4.436 4.120 -0.004 0.000 0.265 7 V C 0.839 176.809 176.094 -0.206 0.000 1.126 7 V CA 0.779 62.990 62.300 -0.148 0.000 1.141 7 V CB -1.054 30.632 31.823 -0.228 0.000 0.743 7 V HN 0.277 8.467 8.190 -0.000 0.000 0.492 8 F N -0.002 119.987 119.950 0.066 0.000 2.403 8 F HA 0.760 5.285 4.527 -0.004 0.000 0.326 8 F C 1.393 177.187 175.800 -0.010 0.000 1.081 8 F CA -1.155 56.850 58.000 0.008 0.000 1.041 8 F CB 0.655 39.638 39.000 -0.029 0.000 1.234 8 F HN -0.163 8.137 8.300 -0.000 0.000 0.503 9 R N 0.189 120.808 120.500 0.197 0.000 3.875 9 R HA -0.180 4.158 4.340 -0.004 0.000 0.321 9 R C -0.357 175.988 176.300 0.074 0.000 1.196 9 R CA 0.302 56.468 56.100 0.110 0.000 0.868 9 R CB -1.753 28.601 30.300 0.090 0.000 1.333 9 R HN 0.702 8.972 8.270 -0.000 0.000 0.522 10 R N 1.258 121.799 120.500 0.068 0.000 2.637 10 R HA 0.186 4.524 4.340 -0.004 0.000 0.269 10 R C 0.633 176.991 176.300 0.097 0.000 1.089 10 R CA -0.701 55.406 56.100 0.012 0.000 1.177 10 R CB 0.592 30.802 30.300 -0.149 0.000 1.091 10 R HN -0.048 8.222 8.270 -0.000 0.000 0.540 11 E N 1.606 121.844 120.200 0.064 0.000 2.398 11 E HA 0.040 4.388 4.350 -0.004 0.000 0.263 11 E C 0.265 176.955 176.600 0.150 0.000 1.046 11 E CA -0.035 56.426 56.400 0.102 0.000 0.908 11 E CB 0.477 30.212 29.700 0.059 0.000 0.963 11 E HN 0.297 8.657 8.360 -0.000 0.000 0.431 12 L N 1.005 122.321 121.223 0.156 0.000 2.473 12 L HA 0.138 4.476 4.340 -0.004 0.000 0.268 12 L C 0.186 177.109 176.870 0.088 0.000 1.215 12 L CA -0.292 54.630 54.840 0.137 0.000 0.823 12 L CB 0.304 42.421 42.059 0.097 0.000 1.099 12 L HN 0.129 8.359 8.230 -0.000 0.000 0.483 13 V N 0.556 120.504 119.914 0.057 0.000 2.588 13 V HA 0.169 4.286 4.120 -0.004 0.000 0.304 13 V C -0.229 175.837 176.094 -0.048 0.000 1.042 13 V CA -0.826 61.489 62.300 0.025 0.000 0.877 13 V CB 1.834 33.698 31.823 0.068 0.000 0.996 13 V HN 0.722 8.912 8.190 -0.000 0.000 0.425 14 D N 3.010 123.378 120.400 -0.053 0.000 2.425 14 D HA 0.192 4.830 4.640 -0.004 0.000 0.247 14 D C -0.966 175.236 176.300 -0.163 0.000 1.147 14 D CA 0.285 54.230 54.000 -0.091 0.000 0.879 14 D CB 1.515 42.278 40.800 -0.061 0.000 1.179 14 D HN 0.282 8.652 8.370 -0.000 0.000 0.456 15 V N 4.514 124.278 119.914 -0.250 0.000 2.409 15 V HA 0.097 4.215 4.120 -0.004 0.000 0.290 15 V C 0.121 176.012 176.094 -0.338 0.000 1.017 15 V CA -0.625 61.416 62.300 -0.431 0.000 0.841 15 V CB 1.256 32.604 31.823 -0.793 0.000 1.003 15 V HN 0.751 8.941 8.190 -0.000 0.000 0.426 16 E N 3.733 123.792 120.200 -0.235 0.000 2.328 16 E HA -0.297 4.051 4.350 -0.004 0.000 0.233 16 E C 1.260 177.820 176.600 -0.067 0.000 1.219 16 E CA 0.686 57.018 56.400 -0.114 0.000 0.717 16 E CB -1.146 28.510 29.700 -0.074 0.000 1.210 16 E HN 1.475 9.835 8.360 -0.000 0.000 0.381 17 G N -0.879 107.882 108.800 -0.066 0.000 2.195 17 G HA2 -0.273 3.685 3.960 -0.004 0.000 0.246 17 G HA3 -0.273 3.685 3.960 -0.004 0.000 0.246 17 G C 0.170 175.059 174.900 -0.020 0.000 0.984 17 G CA 0.197 45.279 45.100 -0.030 0.000 0.633 17 G HN 0.316 8.606 8.290 -0.000 0.000 0.525 18 I N 1.439 121.980 120.570 -0.049 0.000 2.433 18 I HA 0.391 4.559 4.170 -0.004 0.000 0.292 18 I C -2.455 173.614 176.117 -0.081 0.000 1.001 18 I CA -3.043 58.244 61.300 -0.021 0.000 1.119 18 I CB 1.611 39.620 38.000 0.015 0.000 1.289 18 I HN -0.193 8.017 8.210 -0.000 0.000 0.438 19 P HA 0.385 4.805 4.420 -0.000 0.000 0.276 19 P C -0.717 176.449 177.300 -0.224 0.000 1.253 19 P CA 0.033 63.083 63.100 -0.083 0.000 0.766 19 P CB 0.625 32.322 31.700 -0.004 0.000 0.845 20 L N 3.045 124.101 121.223 -0.279 0.000 2.309 20 L HA 0.527 4.865 4.340 -0.004 0.000 0.261 20 L C 0.247 176.942 176.870 -0.292 0.000 1.021 20 L CA -1.317 53.222 54.840 -0.502 0.000 0.823 20 L CB 0.875 42.668 42.059 -0.444 0.000 1.366 20 L HN 0.147 8.377 8.230 -0.000 0.000 0.423 21 F N 0.958 120.782 119.950 -0.210 0.000 2.602 21 F HA -0.089 4.435 4.527 -0.004 0.000 0.367 21 F C 1.377 177.104 175.800 -0.121 0.000 1.126 21 F CA -0.393 57.523 58.000 -0.140 0.000 1.321 21 F CB 0.020 38.882 39.000 -0.231 0.000 1.094 21 F HN 0.630 8.930 8.300 -0.000 0.000 0.594 22 W N 1.042 122.418 121.300 0.127 0.000 2.325 22 W HA -0.213 4.445 4.660 -0.003 0.000 0.299 22 W C 1.423 177.970 176.519 0.046 0.000 1.215 22 W CA 1.692 59.063 57.345 0.043 0.000 1.244 22 W CB -1.721 27.748 29.460 0.014 0.000 1.140 22 W HN 0.527 8.707 8.180 -0.000 0.000 0.523 23 S N 0.794 115.846 115.700 -1.079 0.000 2.461 23 S HA -0.056 4.412 4.470 -0.004 0.000 0.228 23 S C 1.898 176.326 174.600 -0.286 0.000 1.005 23 S CA 0.994 58.578 58.200 -1.026 0.000 0.942 23 S CB -0.883 61.455 63.200 -1.437 0.000 0.776 23 S HN 0.316 8.626 8.310 -0.000 0.000 0.514 24 I N 2.356 122.841 120.570 -0.142 0.000 2.202 24 I HA -0.130 4.038 4.170 -0.004 0.000 0.242 24 I C 3.085 179.296 176.117 0.157 0.000 1.091 24 I CA 1.143 62.484 61.300 0.068 0.000 1.368 24 I CB -0.735 37.318 38.000 0.089 0.000 1.058 24 I HN 0.392 8.602 8.210 -0.000 0.000 0.410 25 A N 0.582 123.427 122.820 0.042 0.000 1.908 25 A HA -0.298 4.020 4.320 -0.004 0.000 0.218 25 A C 2.303 179.932 177.584 0.075 0.000 1.181 25 A CA 2.176 54.230 52.037 0.029 0.000 0.627 25 A CB -0.752 18.238 19.000 -0.017 0.000 0.818 25 A HN 0.530 8.680 8.150 -0.000 0.000 0.445 26 E N -1.152 119.046 120.200 -0.003 0.000 2.153 26 E HA -0.214 4.134 4.350 -0.004 0.000 0.194 26 E C 0.789 177.220 176.600 -0.281 0.000 0.988 26 E CA 1.163 57.482 56.400 -0.135 0.000 0.811 26 E CB -0.107 29.469 29.700 -0.207 0.000 0.746 26 E HN 0.742 9.102 8.360 -0.000 0.000 0.466 27 H N -1.147 117.971 119.070 0.081 0.000 2.469 27 H HA 0.005 4.559 4.556 -0.004 0.000 0.286 27 H C 0.592 176.005 175.328 0.141 0.000 1.106 27 H CA -0.331 55.762 56.048 0.075 0.000 1.055 27 H CB -0.296 29.466 29.762 0.001 0.000 1.618 27 H HN 0.430 8.710 8.280 -0.000 0.000 0.559 28 W N 1.627 122.958 121.300 0.053 0.000 2.350 28 W HA -0.207 4.451 4.660 -0.002 0.000 0.289 28 W C 1.162 177.727 176.519 0.077 0.000 1.215 28 W CA 1.129 58.510 57.345 0.060 0.000 1.236 28 W CB 0.257 29.742 29.460 0.040 0.000 1.130 28 W HN 0.135 8.315 8.180 -0.000 0.000 0.541 29 S N 0.704 116.450 115.700 0.077 0.000 2.374 29 S HA -0.302 4.166 4.470 -0.004 0.000 0.227 29 S C 1.575 176.125 174.600 -0.083 0.000 1.037 29 S CA 1.835 60.026 58.200 -0.014 0.000 1.024 29 S CB -0.566 62.668 63.200 0.055 0.000 0.861 29 S HN 0.464 8.774 8.310 -0.000 0.000 0.456 30 Q N 0.071 119.853 119.800 -0.030 0.000 2.167 30 Q HA -0.045 4.292 4.340 -0.004 0.000 0.202 30 Q C 2.265 178.221 176.000 -0.073 0.000 0.970 30 Q CA 1.157 56.947 55.803 -0.022 0.000 0.855 30 Q CB -0.209 28.541 28.738 0.021 0.000 0.911 30 Q HN 0.410 8.680 8.270 -0.000 0.000 0.438 31 V N 1.304 121.077 119.914 -0.234 0.000 2.283 31 V HA -0.249 3.869 4.120 -0.004 0.000 0.243 31 V C 2.222 178.054 176.094 -0.437 0.000 1.039 31 V CA 2.072 64.150 62.300 -0.369 0.000 1.016 31 V CB -0.702 30.749 31.823 -0.621 0.000 0.650 31 V HN 0.465 8.655 8.190 -0.000 0.000 0.449 32 E N 1.080 120.843 120.200 -0.728 0.000 2.153 32 E HA -0.175 4.173 4.350 -0.004 0.000 0.194 32 E C 1.754 178.258 176.600 -0.161 0.000 0.988 32 E CA 1.990 58.116 56.400 -0.456 0.000 0.811 32 E CB -0.602 28.834 29.700 -0.441 0.000 0.746 32 E HN 0.472 8.832 8.360 -0.000 0.000 0.466 33 S N -0.200 115.424 115.700 -0.127 0.000 2.605 33 S HA 0.156 4.624 4.470 -0.004 0.000 0.217 33 S C -0.133 174.433 174.600 -0.055 0.000 0.958 33 S CA -0.530 57.628 58.200 -0.069 0.000 0.919 33 S CB -0.570 62.594 63.200 -0.060 0.000 0.780 33 S HN 0.374 8.684 8.310 -0.000 0.000 0.507 34 F N 4.074 123.927 119.950 -0.162 0.000 2.623 34 F HA 0.004 4.529 4.527 -0.002 0.000 0.383 34 F C 0.397 176.068 175.800 -0.216 0.000 1.077 34 F CA -0.177 57.727 58.000 -0.158 0.000 1.268 34 F CB 0.474 39.401 39.000 -0.121 0.000 1.053 34 F HN 0.011 8.311 8.300 -0.000 0.000 0.571 35 E N 6.203 125.757 120.200 -1.075 0.000 2.044 35 E HA 0.376 4.724 4.350 -0.004 0.000 0.282 35 E C -0.034 175.874 176.600 -1.154 0.000 1.031 35 E CA -0.316 55.572 56.400 -0.854 0.000 0.824 35 E CB 1.094 30.471 29.700 -0.539 0.000 1.076 35 E HN 0.699 9.059 8.360 -0.000 0.000 0.395 36 A N 4.258 126.598 122.820 -0.800 0.000 2.259 36 A HA 0.620 4.938 4.320 -0.004 0.000 0.278 36 A C 0.218 177.602 177.584 -0.334 0.000 1.107 36 A CA -0.383 51.287 52.037 -0.612 0.000 0.828 36 A CB 0.741 19.210 19.000 -0.884 0.000 1.111 36 A HN 0.544 8.694 8.150 -0.000 0.000 0.498 37 R N -0.191 120.207 120.500 -0.170 0.000 2.750 37 R HA 0.386 4.724 4.340 -0.004 0.000 0.281 37 R C -2.299 173.992 176.300 -0.015 0.000 0.972 37 R CA -1.758 54.291 56.100 -0.083 0.000 0.912 37 R CB 1.523 31.795 30.300 -0.047 0.000 1.187 37 R HN 0.364 8.634 8.270 -0.000 0.000 0.464 38 P HA -0.186 4.234 4.420 -0.000 0.000 0.218 38 P C 0.302 177.635 177.300 0.055 0.000 1.148 38 P CA 1.336 64.455 63.100 0.033 0.000 0.822 38 P CB 0.179 31.892 31.700 0.021 0.000 0.784 39 D N -2.476 117.954 120.400 0.049 0.000 2.340 39 D HA -0.004 4.633 4.640 -0.004 0.000 0.217 39 D C -0.109 176.259 176.300 0.113 0.000 1.081 39 D CA -0.063 53.974 54.000 0.063 0.000 0.842 39 D CB -0.840 39.981 40.800 0.034 0.000 0.934 39 D HN 0.027 8.397 8.370 -0.000 0.000 0.511 40 D N 0.903 121.383 120.400 0.132 0.000 2.443 40 D HA 0.058 4.696 4.640 -0.004 0.000 0.239 40 D C 0.345 176.770 176.300 0.207 0.000 1.136 40 D CA 0.152 54.267 54.000 0.192 0.000 0.879 40 D CB 1.082 42.036 40.800 0.256 0.000 1.195 40 D HN 0.107 8.477 8.370 -0.000 0.000 0.443 41 I N 2.870 123.559 120.570 0.198 0.000 2.339 41 I HA 0.167 4.335 4.170 -0.004 0.000 0.290 41 I C -0.048 176.135 176.117 0.109 0.000 0.994 41 I CA -0.826 60.577 61.300 0.171 0.000 1.191 41 I CB 1.057 39.159 38.000 0.170 0.000 1.343 41 I HN 0.159 8.369 8.210 -0.000 0.000 0.458 42 L N 8.407 129.679 121.223 0.081 0.000 2.264 42 L HA 0.506 4.844 4.340 -0.004 0.000 0.289 42 L C -0.372 176.432 176.870 -0.110 0.000 1.044 42 L CA 0.075 54.874 54.840 -0.068 0.000 0.807 42 L CB 0.643 42.563 42.059 -0.233 0.000 1.192 42 L HN 0.352 8.582 8.230 -0.000 0.000 0.425 43 I N 4.435 124.906 120.570 -0.165 0.000 2.304 43 I HA 0.289 4.457 4.170 -0.004 0.000 0.291 43 I C 0.061 175.983 176.117 -0.324 0.000 1.018 43 I CA -0.098 61.071 61.300 -0.219 0.000 1.260 43 I CB 1.280 39.166 38.000 -0.190 0.000 1.390 43 I HN 0.632 8.842 8.210 -0.000 0.000 0.475 44 S N 5.157 120.607 115.700 -0.417 0.000 2.519 44 S HA 0.775 5.243 4.470 -0.004 0.000 0.309 44 S C -0.423 173.755 174.600 -0.703 0.000 1.100 44 S CA -0.367 57.512 58.200 -0.535 0.000 1.059 44 S CB 1.067 63.784 63.200 -0.805 0.000 1.008 44 S HN 0.734 9.044 8.310 -0.000 0.000 0.478 45 T N 2.229 116.490 114.554 -0.488 0.000 2.894 45 T HA 0.446 4.794 4.350 -0.004 0.000 0.309 45 T C -1.091 173.437 174.700 -0.286 0.000 1.208 45 T CA -0.658 61.107 62.100 -0.559 0.000 1.016 45 T CB 0.700 69.349 68.868 -0.366 0.000 1.192 45 T HN 0.564 8.804 8.240 -0.000 0.000 0.491 46 Y N 2.852 122.806 120.300 -0.576 0.000 2.411 46 Y HA 0.395 4.943 4.550 -0.004 0.000 0.333 46 Y C -2.332 173.201 175.900 -0.613 0.000 1.186 46 Y CA -1.365 56.291 58.100 -0.741 0.000 1.381 46 Y CB 0.573 38.733 38.460 -0.500 0.000 1.273 46 Y HN 0.482 8.762 8.280 -0.000 0.000 0.546 47 P HA -0.103 4.317 4.420 -0.000 0.000 0.263 47 P C -0.840 176.067 177.300 -0.654 0.000 1.175 47 P CA 0.915 63.262 63.100 -1.255 0.000 0.761 47 P CB 0.327 31.184 31.700 -1.405 0.000 0.794 48 K N -0.085 120.000 120.400 -0.524 0.000 3.379 48 K HA -0.104 4.214 4.320 -0.004 0.000 0.300 48 K C 0.351 176.828 176.600 -0.205 0.000 1.302 48 K CA 0.762 56.826 56.287 -0.371 0.000 0.877 48 K CB -2.882 29.416 32.500 -0.337 0.000 1.343 48 K HN 0.417 8.667 8.250 -0.000 0.000 0.488 49 S N -0.664 114.958 115.700 -0.130 0.000 2.539 49 S HA 0.375 4.842 4.470 -0.004 0.000 0.221 49 S C 1.145 175.824 174.600 0.132 0.000 0.987 49 S CA 0.357 58.540 58.200 -0.028 0.000 0.929 49 S CB 1.151 64.338 63.200 -0.021 0.000 0.832 49 S HN 0.753 9.063 8.310 -0.000 0.000 0.492 50 G N 1.237 110.149 108.800 0.187 0.000 2.147 50 G HA2 -0.202 3.756 3.960 -0.004 0.000 0.128 50 G HA3 -0.202 3.756 3.960 -0.004 0.000 0.128 50 G C 0.608 175.629 174.900 0.202 0.000 1.026 50 G CA 0.189 45.526 45.100 0.395 0.000 0.693 50 G HN 0.369 8.659 8.290 -0.000 0.000 0.499 51 T N 0.631 115.239 114.554 0.089 0.000 2.684 51 T HA -0.131 4.217 4.350 -0.004 0.000 0.267 51 T C 2.522 177.284 174.700 0.104 0.000 1.036 51 T CA 2.343 64.454 62.100 0.018 0.000 1.148 51 T CB -0.428 68.422 68.868 -0.031 0.000 0.863 51 T HN 0.393 8.633 8.240 -0.000 0.000 0.436 52 T N 0.662 115.354 114.554 0.230 0.000 2.777 52 T HA -0.100 4.248 4.350 -0.004 0.000 0.266 52 T C 1.495 176.377 174.700 0.303 0.000 1.040 52 T CA 0.915 63.185 62.100 0.283 0.000 1.141 52 T CB -0.372 68.764 68.868 0.447 0.000 0.868 52 T HN 0.421 8.661 8.240 -0.000 0.000 0.444 53 W N 1.783 123.158 121.300 0.124 0.000 2.333 53 W HA -0.124 4.533 4.660 -0.004 0.000 0.316 53 W C 2.374 178.909 176.519 0.026 0.000 1.215 53 W CA 0.388 57.783 57.345 0.082 0.000 1.278 53 W CB -1.150 28.358 29.460 0.082 0.000 1.154 53 W HN 0.089 8.269 8.180 -0.000 0.000 0.486 54 V N 0.489 120.486 119.914 0.139 0.000 2.548 54 V HA -0.213 3.905 4.120 -0.004 0.000 0.249 54 V C 2.409 178.493 176.094 -0.018 0.000 1.055 54 V CA 2.486 64.754 62.300 -0.053 0.000 1.065 54 V CB -0.660 31.075 31.823 -0.148 0.000 0.681 54 V HN 0.122 8.312 8.190 -0.000 0.000 0.462 55 S N -0.052 115.656 115.700 0.012 0.000 2.368 55 S HA -0.235 4.233 4.470 -0.004 0.000 0.225 55 S C 1.862 176.455 174.600 -0.012 0.000 1.030 55 S CA 1.869 60.054 58.200 -0.024 0.000 0.999 55 S CB -0.302 62.893 63.200 -0.008 0.000 0.844 55 S HN 0.764 9.074 8.310 -0.000 0.000 0.459 56 E N 1.375 121.610 120.200 0.058 0.000 2.077 56 E HA -0.062 4.286 4.350 -0.004 0.000 0.193 56 E C 1.812 178.449 176.600 0.062 0.000 0.989 56 E CA 1.019 57.457 56.400 0.062 0.000 0.800 56 E CB -0.388 29.382 29.700 0.117 0.000 0.746 56 E HN 0.517 8.877 8.360 -0.000 0.000 0.452 57 I N -0.086 120.535 120.570 0.085 0.000 2.163 57 I HA -0.294 3.874 4.170 -0.004 0.000 0.243 57 I C 2.032 178.160 176.117 0.017 0.000 1.085 57 I CA 0.806 62.142 61.300 0.059 0.000 1.347 57 I CB -0.253 37.755 38.000 0.013 0.000 1.044 57 I HN 0.183 8.393 8.210 -0.000 0.000 0.408 58 L N 0.351 121.549 121.223 -0.043 0.000 2.046 58 L HA -0.251 4.087 4.340 -0.004 0.000 0.208 58 L C 2.123 178.878 176.870 -0.192 0.000 1.077 58 L CA 1.899 56.663 54.840 -0.126 0.000 0.747 58 L CB -0.717 41.208 42.059 -0.224 0.000 0.896 58 L HN 0.213 8.443 8.230 -0.000 0.000 0.432 59 D N -0.908 119.401 120.400 -0.152 0.000 2.144 59 D HA -0.167 4.471 4.640 -0.004 0.000 0.200 59 D C 2.293 178.600 176.300 0.012 0.000 0.978 59 D CA 0.978 54.915 54.000 -0.105 0.000 0.833 59 D CB 0.027 40.779 40.800 -0.080 0.000 0.961 59 D HN 0.212 8.582 8.370 -0.000 0.000 0.470 60 L N -0.004 121.234 121.223 0.026 0.000 2.046 60 L HA -0.148 4.190 4.340 -0.004 0.000 0.208 60 L C 2.498 179.425 176.870 0.095 0.000 1.077 60 L CA 0.788 55.661 54.840 0.055 0.000 0.747 60 L CB -0.325 41.777 42.059 0.072 0.000 0.896 60 L HN 0.150 8.380 8.230 -0.000 0.000 0.432 61 I N -1.565 119.080 120.570 0.125 0.000 2.163 61 I HA -0.343 3.825 4.170 -0.004 0.000 0.243 61 I C 2.327 178.597 176.117 0.256 0.000 1.085 61 I CA 1.399 62.808 61.300 0.181 0.000 1.347 61 I CB -0.363 37.765 38.000 0.213 0.000 1.044 61 I HN 0.180 8.390 8.210 -0.000 0.000 0.408 62 Y N 0.679 120.990 120.300 0.020 0.000 2.421 62 Y HA -0.119 4.429 4.550 -0.003 0.000 0.292 62 Y C 1.901 177.804 175.900 0.006 0.000 1.136 62 Y CA 0.834 58.943 58.100 0.014 0.000 1.255 62 Y CB -0.616 37.852 38.460 0.013 0.000 0.991 62 Y HN 0.271 8.551 8.280 -0.000 0.000 0.552 63 N N -0.014 118.782 118.700 0.161 0.000 2.238 63 N HA 0.008 4.746 4.740 -0.004 0.000 0.222 63 N C -0.464 175.073 175.510 0.045 0.000 1.133 63 N CA 0.082 53.178 53.050 0.076 0.000 0.854 63 N CB -0.296 38.220 38.487 0.048 0.000 1.041 63 N HN 0.302 8.682 8.380 -0.000 0.000 0.510 64 N N 0.353 119.087 118.700 0.057 0.000 2.721 64 N HA -0.240 4.498 4.740 -0.004 0.000 0.249 64 N C 0.733 176.265 175.510 0.036 0.000 1.072 64 N CA 0.571 53.647 53.050 0.042 0.000 0.710 64 N CB -0.975 37.527 38.487 0.025 0.000 0.993 64 N HN 0.487 8.867 8.380 -0.000 0.000 0.547 65 G N -0.439 108.385 108.800 0.039 0.000 2.162 65 G HA2 -0.340 3.618 3.960 -0.004 0.000 0.260 65 G HA3 -0.340 3.618 3.960 -0.004 0.000 0.260 65 G C -0.263 174.608 174.900 -0.049 0.000 0.976 65 G CA 0.241 45.357 45.100 0.025 0.000 0.655 65 G HN 0.624 8.914 8.290 -0.000 0.000 0.533 66 D N 0.841 121.214 120.400 -0.045 0.000 2.359 66 D HA 0.539 5.176 4.640 -0.004 0.000 0.250 66 D C 1.626 177.848 176.300 -0.130 0.000 1.264 66 D CA 0.557 54.513 54.000 -0.073 0.000 0.911 66 D CB 0.625 41.404 40.800 -0.034 0.000 1.056 66 D HN 0.377 8.747 8.370 -0.000 0.000 0.499 67 A N 4.349 127.022 122.820 -0.244 0.000 1.940 67 A HA -0.206 4.112 4.320 -0.004 0.000 0.219 67 A C 1.958 179.465 177.584 -0.129 0.000 1.176 67 A CA 1.207 53.068 52.037 -0.294 0.000 0.631 67 A CB -0.173 18.539 19.000 -0.480 0.000 0.814 67 A HN 0.510 8.660 8.150 -0.000 0.000 0.446 68 E N 0.133 120.282 120.200 -0.086 0.000 2.072 68 E HA -0.105 4.243 4.350 -0.004 0.000 0.191 68 E C 1.994 178.565 176.600 -0.047 0.000 0.985 68 E CA 1.345 57.715 56.400 -0.051 0.000 0.801 68 E CB -0.186 29.493 29.700 -0.035 0.000 0.750 68 E HN 0.644 9.004 8.360 -0.000 0.000 0.452 69 K N -0.685 119.688 120.400 -0.045 0.000 2.097 69 K HA -0.078 4.240 4.320 -0.004 0.000 0.206 69 K C 1.978 178.555 176.600 -0.039 0.000 1.049 69 K CA 1.240 57.507 56.287 -0.033 0.000 0.933 69 K CB -0.180 32.308 32.500 -0.020 0.000 0.717 69 K HN 0.197 8.447 8.250 -0.000 0.000 0.442 70 C N 1.082 120.352 119.300 -0.051 0.000 2.511 70 C HA 0.042 4.500 4.460 -0.004 0.000 0.277 70 C C 1.495 176.446 174.990 -0.065 0.000 1.451 70 C CA 0.327 59.313 59.018 -0.053 0.000 1.735 70 C CB -0.769 26.940 27.740 -0.053 0.000 1.704 70 C HN 0.325 8.555 8.230 -0.000 0.000 0.571 71 K N 0.798 121.161 120.400 -0.062 0.000 2.397 71 K HA 0.048 4.366 4.320 -0.004 0.000 0.202 71 K C 1.961 178.520 176.600 -0.070 0.000 1.022 71 K CA -0.203 56.043 56.287 -0.067 0.000 1.141 71 K CB 0.054 32.522 32.500 -0.053 0.000 0.857 71 K HN 0.594 8.844 8.250 -0.000 0.000 0.514 72 R N 0.229 120.690 120.500 -0.065 0.000 2.152 72 R HA -0.041 4.297 4.340 -0.004 0.000 0.232 72 R C 0.264 176.516 176.300 -0.079 0.000 1.117 72 R CA 1.170 57.234 56.100 -0.060 0.000 0.981 72 R CB -0.048 30.224 30.300 -0.046 0.000 0.870 72 R HN -0.033 8.237 8.270 -0.000 0.000 0.451 73 D N -1.364 118.969 120.400 -0.112 0.000 2.692 73 D HA 0.386 5.023 4.640 -0.004 0.000 0.290 73 D C -1.477 174.680 176.300 -0.239 0.000 1.281 73 D CA -0.265 53.638 54.000 -0.161 0.000 0.804 73 D CB 1.637 42.346 40.800 -0.152 0.000 1.331 73 D HN 0.149 8.519 8.370 -0.000 0.000 0.432 74 A N 0.816 123.411 122.820 -0.374 0.000 2.466 74 A HA 0.160 4.478 4.320 -0.004 0.000 0.238 74 A C 1.497 178.737 177.584 -0.573 0.000 1.074 74 A CA -0.075 51.618 52.037 -0.574 0.000 0.774 74 A CB 0.121 18.502 19.000 -1.031 0.000 1.015 74 A HN 0.581 8.731 8.150 -0.000 0.000 0.498 75 I N 1.088 121.363 120.570 -0.492 0.000 2.264 75 I HA -0.273 3.895 4.170 -0.004 0.000 0.248 75 I C 1.892 177.865 176.117 -0.240 0.000 1.111 75 I CA 2.179 63.298 61.300 -0.303 0.000 1.382 75 I CB -0.557 37.314 38.000 -0.215 0.000 1.060 75 I HN 0.778 8.988 8.210 -0.000 0.000 0.418 76 Y N -0.862 119.297 120.300 -0.235 0.000 2.583 76 Y HA 0.165 4.713 4.550 -0.004 0.000 0.293 76 Y C 1.939 177.829 175.900 -0.017 0.000 1.157 76 Y CA 0.471 58.527 58.100 -0.074 0.000 1.315 76 Y CB -1.043 37.407 38.460 -0.017 0.000 1.021 76 Y HN 0.047 8.327 8.280 -0.000 0.000 0.536 77 K N 0.376 120.619 120.400 -0.263 0.000 2.313 77 K HA 0.162 4.479 4.320 -0.004 0.000 0.197 77 K C 1.992 178.541 176.600 -0.086 0.000 1.061 77 K CA 0.189 56.400 56.287 -0.125 0.000 0.980 77 K CB 0.102 32.483 32.500 -0.198 0.000 0.888 77 K HN 0.207 8.457 8.250 -0.000 0.000 0.502 78 R N 0.530 120.953 120.500 -0.128 0.000 2.092 78 R HA 0.003 4.341 4.340 -0.004 0.000 0.231 78 R C 0.323 176.594 176.300 -0.048 0.000 1.119 78 R CA 0.826 56.876 56.100 -0.082 0.000 0.970 78 R CB 0.240 30.479 30.300 -0.102 0.000 0.864 78 R HN -0.090 8.180 8.270 -0.000 0.000 0.440 79 V N 2.652 122.543 119.914 -0.039 0.000 2.383 79 V HA 0.234 4.352 4.120 -0.004 0.000 0.264 79 V C -2.458 173.658 176.094 0.037 0.000 1.001 79 V CA -1.919 60.370 62.300 -0.019 0.000 0.828 79 V CB 1.277 33.071 31.823 -0.048 0.000 1.069 79 V HN -0.018 8.172 8.190 -0.000 0.000 0.451 80 P HA 0.060 4.480 4.420 -0.000 0.000 0.268 80 P C -0.441 176.955 177.300 0.160 0.000 1.205 80 P CA -0.153 63.020 63.100 0.123 0.000 0.771 80 P CB 0.370 32.126 31.700 0.095 0.000 0.858 81 F N 4.652 124.620 119.950 0.029 0.000 2.464 81 F HA 0.175 4.699 4.527 -0.004 0.000 0.353 81 F C 1.435 177.222 175.800 -0.022 0.000 1.191 81 F CA -0.945 57.051 58.000 -0.007 0.000 1.147 81 F CB -0.295 38.751 39.000 0.076 0.000 1.294 81 F HN 0.351 8.651 8.300 -0.000 0.000 0.583 82 M N 4.045 123.761 119.600 0.194 0.000 2.110 82 M HA -0.223 4.255 4.480 -0.004 0.000 0.257 82 M C 1.942 178.206 176.300 -0.061 0.000 1.071 82 M CA 2.483 57.751 55.300 -0.055 0.000 1.096 82 M CB -0.276 32.181 32.600 -0.239 0.000 1.300 82 M HN 0.602 8.892 8.290 -0.000 0.000 0.411 83 E N 0.451 120.668 120.200 0.029 0.000 2.482 83 E HA -0.078 4.270 4.350 -0.004 0.000 0.196 83 E C 0.421 176.963 176.600 -0.097 0.000 1.047 83 E CA 0.174 56.592 56.400 0.031 0.000 0.869 83 E CB -0.639 29.214 29.700 0.254 0.000 0.836 83 E HN 0.481 8.841 8.360 -0.000 0.000 0.520 84 L N 2.176 123.161 121.223 -0.398 0.000 2.407 84 L HA 0.276 4.613 4.340 -0.004 0.000 0.282 84 L C -0.643 176.085 176.870 -0.236 0.000 1.110 84 L CA 0.076 54.621 54.840 -0.491 0.000 0.863 84 L CB 0.056 41.498 42.059 -1.029 0.000 1.207 84 L HN 0.001 8.231 8.230 -0.000 0.000 0.454 85 I N 6.620 127.089 120.570 -0.170 0.000 2.447 85 I HA 0.420 4.588 4.170 -0.004 0.000 0.287 85 I C -0.706 175.275 176.117 -0.227 0.000 1.023 85 I CA -0.386 60.812 61.300 -0.169 0.000 1.083 85 I CB 1.600 39.515 38.000 -0.141 0.000 1.245 85 I HN 0.433 8.643 8.210 -0.000 0.000 0.434 86 I N 7.466 127.895 120.570 -0.234 0.000 2.499 86 I HA 0.362 4.530 4.170 -0.004 0.000 0.288 86 I C -2.528 173.467 176.117 -0.203 0.000 1.048 86 I CA -2.144 58.981 61.300 -0.291 0.000 1.062 86 I CB 2.340 40.178 38.000 -0.270 0.000 1.238 86 I HN 0.205 8.415 8.210 -0.000 0.000 0.426 87 P HA 0.068 4.488 4.420 -0.000 0.000 0.263 87 P C 0.916 178.190 177.300 -0.043 0.000 1.195 87 P CA 0.748 63.814 63.100 -0.056 0.000 0.762 87 P CB 0.573 32.318 31.700 0.074 0.000 0.799 88 G N 2.525 111.305 108.800 -0.033 0.000 2.184 88 G HA2 -0.307 3.650 3.960 -0.004 0.000 0.264 88 G HA3 -0.307 3.650 3.960 -0.004 0.000 0.264 88 G C 0.686 175.579 174.900 -0.013 0.000 0.975 88 G CA 0.419 45.511 45.100 -0.014 0.000 0.642 88 G HN 0.515 8.805 8.290 -0.000 0.000 0.536 89 I N -1.660 118.889 120.570 -0.035 0.000 3.739 89 I HA 0.351 4.518 4.170 -0.004 0.000 0.272 89 I C 0.940 177.052 176.117 -0.009 0.000 1.167 89 I CA 1.130 62.423 61.300 -0.012 0.000 1.386 89 I CB 1.423 39.411 38.000 -0.020 0.000 1.490 89 I HN 0.213 8.423 8.210 -0.000 0.000 0.452 90 T N 0.062 114.589 114.554 -0.045 0.000 2.885 90 T HA 0.314 4.662 4.350 -0.004 0.000 0.322 90 T C -1.909 172.748 174.700 -0.072 0.000 1.387 90 T CA -0.551 61.531 62.100 -0.030 0.000 1.041 90 T CB 1.556 70.420 68.868 -0.007 0.000 1.287 90 T HN 0.087 8.327 8.240 -0.000 0.000 0.491 91 N N 1.464 120.135 118.700 -0.048 0.000 2.594 91 N HA 0.316 5.054 4.740 -0.004 0.000 0.280 91 N C 1.020 176.515 175.510 -0.024 0.000 1.156 91 N CA 0.171 53.178 53.050 -0.070 0.000 0.831 91 N CB 1.362 39.794 38.487 -0.092 0.000 1.379 91 N HN 0.813 9.193 8.380 -0.000 0.000 0.536 92 G N 1.338 110.119 108.800 -0.031 0.000 2.422 92 G HA2 -0.155 3.803 3.960 -0.004 0.000 0.218 92 G HA3 -0.155 3.803 3.960 -0.004 0.000 0.218 92 G C 1.290 176.201 174.900 0.018 0.000 1.146 92 G CA 0.995 46.099 45.100 0.006 0.000 0.769 92 G HN 0.402 8.692 8.290 -0.000 0.000 0.547 93 V N 0.622 120.543 119.914 0.011 0.000 2.295 93 V HA -0.139 3.979 4.120 -0.004 0.000 0.246 93 V C 2.673 178.853 176.094 0.144 0.000 1.049 93 V CA 2.260 64.625 62.300 0.109 0.000 1.024 93 V CB -0.266 31.625 31.823 0.113 0.000 0.648 93 V HN 0.419 8.609 8.190 -0.000 0.000 0.447 94 E N -0.023 120.214 120.200 0.061 0.000 2.077 94 E HA -0.192 4.156 4.350 -0.004 0.000 0.193 94 E C 2.172 178.806 176.600 0.057 0.000 0.989 94 E CA 1.587 58.014 56.400 0.045 0.000 0.800 94 E CB -0.305 29.398 29.700 0.005 0.000 0.746 94 E HN 0.503 8.863 8.360 -0.000 0.000 0.452 95 M N -0.436 119.199 119.600 0.058 0.000 2.108 95 M HA -0.166 4.312 4.480 -0.004 0.000 0.261 95 M C 2.169 178.521 176.300 0.086 0.000 1.066 95 M CA 1.295 56.633 55.300 0.062 0.000 1.107 95 M CB -0.292 32.346 32.600 0.064 0.000 1.356 95 M HN 0.176 8.466 8.290 -0.000 0.000 0.406 96 L N -0.159 121.145 121.223 0.134 0.000 2.072 96 L HA -0.194 4.144 4.340 -0.004 0.000 0.205 96 L C 2.102 179.075 176.870 0.171 0.000 1.079 96 L CA 0.781 55.739 54.840 0.198 0.000 0.752 96 L CB -0.772 41.490 42.059 0.339 0.000 0.906 96 L HN 0.305 8.535 8.230 -0.000 0.000 0.436 97 N N 0.301 119.091 118.700 0.150 0.000 2.205 97 N HA -0.176 4.562 4.740 -0.004 0.000 0.186 97 N C 1.275 176.798 175.510 0.023 0.000 1.015 97 N CA 1.148 54.225 53.050 0.044 0.000 0.862 97 N CB -0.382 38.118 38.487 0.022 0.000 0.986 97 N HN 0.342 8.722 8.380 -0.000 0.000 0.429 98 N N 0.010 118.733 118.700 0.037 0.000 2.336 98 N HA 0.021 4.759 4.740 -0.004 0.000 0.189 98 N C -0.082 175.445 175.510 0.027 0.000 1.113 98 N CA -0.042 53.021 53.050 0.023 0.000 0.858 98 N CB 0.195 38.694 38.487 0.020 0.000 0.970 98 N HN 0.259 8.639 8.380 -0.000 0.000 0.471 99 M N 1.800 121.426 119.600 0.043 0.000 2.157 99 M HA 0.369 4.847 4.480 -0.004 0.000 0.354 99 M C -2.545 173.779 176.300 0.040 0.000 1.170 99 M CA -1.807 53.521 55.300 0.046 0.000 1.060 99 M CB 1.246 33.887 32.600 0.068 0.000 1.615 99 M HN -0.223 8.067 8.290 -0.000 0.000 0.460 100 P HA 0.202 4.622 4.420 -0.000 0.000 0.271 100 P C -0.978 176.350 177.300 0.047 0.000 1.218 100 P CA -0.243 62.875 63.100 0.029 0.000 0.780 100 P CB 0.605 32.319 31.700 0.023 0.000 0.901 101 S N 2.785 118.508 115.700 0.039 0.000 2.585 101 S HA 0.300 4.768 4.470 -0.004 0.000 0.273 101 S C -1.897 172.735 174.600 0.052 0.000 1.339 101 S CA -0.562 57.669 58.200 0.053 0.000 1.028 101 S CB -0.606 62.613 63.200 0.031 0.000 0.906 101 S HN 0.450 8.760 8.310 -0.000 0.000 0.528 102 P HA 0.328 4.748 4.420 -0.000 0.000 0.287 102 P C -0.938 176.503 177.300 0.234 0.000 1.281 102 P CA -0.467 62.716 63.100 0.137 0.000 0.781 102 P CB 0.575 32.331 31.700 0.092 0.000 0.903 103 R N 2.656 123.267 120.500 0.185 0.000 2.410 103 R HA 0.548 4.886 4.340 -0.004 0.000 0.288 103 R C 0.115 176.501 176.300 0.143 0.000 1.051 103 R CA -0.746 55.449 56.100 0.159 0.000 1.021 103 R CB 0.864 31.254 30.300 0.151 0.000 1.032 103 R HN 0.479 8.749 8.270 -0.000 0.000 0.481 104 I N 2.532 123.130 120.570 0.047 0.000 2.339 104 I HA 0.275 4.443 4.170 -0.004 0.000 0.290 104 I C -0.463 175.655 176.117 0.002 0.000 0.994 104 I CA -0.899 60.380 61.300 -0.036 0.000 1.191 104 I CB 1.792 39.672 38.000 -0.201 0.000 1.343 104 I HN 0.181 8.391 8.210 -0.000 0.000 0.458 105 V N 6.258 126.180 119.914 0.012 0.000 2.495 105 V HA 0.380 4.498 4.120 -0.004 0.000 0.298 105 V C -0.081 175.960 176.094 -0.089 0.000 1.031 105 V CA -0.849 61.454 62.300 0.005 0.000 0.871 105 V CB 1.874 33.751 31.823 0.090 0.000 0.988 105 V HN 0.676 8.866 8.190 -0.000 0.000 0.432 106 K N 2.532 122.870 120.400 -0.104 0.000 2.159 106 K HA 0.715 5.033 4.320 -0.004 0.000 0.266 106 K C -0.713 175.745 176.600 -0.236 0.000 0.975 106 K CA -0.154 56.003 56.287 -0.216 0.000 0.865 106 K CB 1.786 34.136 32.500 -0.250 0.000 1.087 106 K HN 0.776 9.026 8.250 -0.000 0.000 0.446 107 T N 1.651 115.989 114.554 -0.360 0.000 2.900 107 T HA 0.323 4.671 4.350 -0.004 0.000 0.303 107 T C -0.669 173.756 174.700 -0.459 0.000 1.142 107 T CA -0.639 61.291 62.100 -0.285 0.000 1.007 107 T CB 0.926 69.700 68.868 -0.156 0.000 1.156 107 T HN 0.731 8.971 8.240 -0.000 0.000 0.490 108 H N 2.630 121.538 119.070 -0.270 0.000 2.674 108 H HA 0.385 4.939 4.556 -0.003 0.000 0.274 108 H C 0.245 175.587 175.328 0.024 0.000 1.121 108 H CA -0.131 55.630 56.048 -0.479 0.000 1.132 108 H CB 0.174 29.068 29.762 -1.447 0.000 1.606 108 H HN 0.325 8.605 8.280 -0.000 0.000 0.558 109 L N 2.964 124.414 121.223 0.379 0.000 2.453 109 L HA 0.122 4.460 4.340 -0.004 0.000 0.272 109 L C -1.909 175.318 176.870 0.595 0.000 1.182 109 L CA -1.626 53.561 54.840 0.579 0.000 0.858 109 L CB 0.277 42.634 42.059 0.497 0.000 1.120 109 L HN -0.117 8.113 8.230 -0.000 0.000 0.474 110 P HA -0.047 4.373 4.420 -0.000 0.000 0.268 110 P C 1.026 178.380 177.300 0.089 0.000 1.208 110 P CA -0.224 62.966 63.100 0.150 0.000 0.777 110 P CB 0.568 32.379 31.700 0.185 0.000 0.875 111 V N 2.125 121.809 119.914 -0.383 0.000 2.277 111 V HA -0.317 3.801 4.120 -0.004 0.000 0.253 111 V C 2.058 178.101 176.094 -0.085 0.000 1.067 111 V CA 2.127 64.046 62.300 -0.636 0.000 1.047 111 V CB -1.238 30.080 31.823 -0.841 0.000 0.649 111 V HN 0.604 8.794 8.190 -0.000 0.000 0.447 112 Q N -1.024 118.754 119.800 -0.038 0.000 2.436 112 Q HA -0.007 4.331 4.340 -0.004 0.000 0.209 112 Q C 1.606 177.719 176.000 0.187 0.000 0.965 112 Q CA 0.911 56.753 55.803 0.065 0.000 0.910 112 Q CB -0.122 28.634 28.738 0.029 0.000 0.980 112 Q HN 0.481 8.751 8.270 -0.000 0.000 0.491 113 L N -0.775 120.593 121.223 0.242 0.000 2.616 113 L HA 0.197 4.535 4.340 -0.004 0.000 0.229 113 L C -0.007 177.108 176.870 0.408 0.000 1.110 113 L CA -0.002 55.070 54.840 0.387 0.000 0.884 113 L CB 0.049 42.359 42.059 0.419 0.000 1.115 113 L HN 0.203 8.433 8.230 -0.000 0.000 0.481 114 L N 1.683 123.090 121.223 0.307 0.000 2.490 114 L HA 0.194 4.532 4.340 -0.004 0.000 0.274 114 L C -1.971 174.986 176.870 0.146 0.000 1.201 114 L CA -1.165 53.785 54.840 0.185 0.000 0.869 114 L CB -0.023 42.049 42.059 0.022 0.000 1.123 114 L HN -0.079 8.151 8.230 -0.000 0.000 0.484 115 P HA 0.035 4.455 4.420 -0.000 0.000 0.262 115 P C 0.286 177.609 177.300 0.038 0.000 1.182 115 P CA 0.289 63.464 63.100 0.126 0.000 0.761 115 P CB 0.583 32.412 31.700 0.214 0.000 0.795 116 S N 1.517 117.251 115.700 0.057 0.000 2.419 116 S HA -0.163 4.304 4.470 -0.004 0.000 0.235 116 S C 2.009 176.603 174.600 -0.011 0.000 1.019 116 S CA 1.531 59.794 58.200 0.104 0.000 0.982 116 S CB -0.557 62.748 63.200 0.175 0.000 0.789 116 S HN 0.571 8.881 8.310 -0.000 0.000 0.490 117 S N 0.532 116.175 115.700 -0.096 0.000 2.400 117 S HA -0.098 4.370 4.470 -0.004 0.000 0.232 117 S C 1.467 175.908 174.600 -0.264 0.000 1.025 117 S CA 1.034 59.120 58.200 -0.191 0.000 0.993 117 S CB -0.467 62.549 63.200 -0.307 0.000 0.808 117 S HN 0.530 8.840 8.310 -0.000 0.000 0.478 118 F N 0.199 119.994 119.950 -0.259 0.000 2.171 118 F HA -0.042 4.483 4.527 -0.003 0.000 0.300 118 F C 1.987 177.605 175.800 -0.302 0.000 1.090 118 F CA 1.250 59.046 58.000 -0.340 0.000 1.293 118 F CB -0.589 38.065 39.000 -0.576 0.000 1.013 118 F HN 0.337 8.637 8.300 -0.000 0.000 0.486 119 W N 0.526 121.824 121.300 -0.003 0.000 2.407 119 W HA -0.092 4.566 4.660 -0.004 0.000 0.305 119 W C 2.272 178.814 176.519 0.038 0.000 1.196 119 W CA 0.401 57.598 57.345 -0.247 0.000 1.311 119 W CB -0.518 28.774 29.460 -0.280 0.000 1.135 119 W HN -0.206 7.974 8.180 -0.000 0.000 0.514 120 K N 0.359 120.902 120.400 0.238 0.000 2.147 120 K HA -0.113 4.205 4.320 -0.004 0.000 0.205 120 K C 1.355 178.033 176.600 0.129 0.000 1.049 120 K CA 1.105 57.494 56.287 0.169 0.000 0.936 120 K CB -0.398 32.155 32.500 0.089 0.000 0.722 120 K HN 0.223 8.473 8.250 -0.000 0.000 0.446 121 N N 1.226 119.977 118.700 0.085 0.000 2.398 121 N HA -0.093 4.645 4.740 -0.004 0.000 0.188 121 N C -0.399 175.199 175.510 0.147 0.000 1.122 121 N CA 0.435 53.527 53.050 0.070 0.000 0.866 121 N CB 0.212 38.693 38.487 -0.011 0.000 0.970 121 N HN 0.108 8.488 8.380 -0.000 0.000 0.462 122 D N 0.596 121.146 120.400 0.250 0.000 2.708 122 D HA -0.169 4.468 4.640 -0.004 0.000 0.236 122 D C -0.591 175.890 176.300 0.301 0.000 1.146 122 D CA 0.247 54.466 54.000 0.365 0.000 0.662 122 D CB -1.723 39.253 40.800 0.293 0.000 1.059 122 D HN 0.198 8.568 8.370 -0.000 0.000 0.428 123 C N 0.918 120.382 119.300 0.273 0.000 2.679 123 C HA 0.175 4.633 4.460 -0.004 0.000 0.417 123 C C 1.243 176.406 174.990 0.288 0.000 1.302 123 C CA -0.475 58.696 59.018 0.255 0.000 1.973 123 C CB 0.337 28.267 27.740 0.317 0.000 2.715 123 C HN 0.248 8.478 8.230 -0.000 0.000 0.628 124 K N 1.962 122.496 120.400 0.225 0.000 2.326 124 K HA 0.495 4.813 4.320 -0.004 0.000 0.275 124 K C -0.620 176.194 176.600 0.356 0.000 1.018 124 K CA 0.485 56.937 56.287 0.276 0.000 0.962 124 K CB 0.417 32.933 32.500 0.027 0.000 0.953 124 K HN 0.512 8.762 8.250 -0.000 0.000 0.475 125 I N 3.797 124.652 120.570 0.475 0.000 2.533 125 I HA 0.333 4.501 4.170 -0.004 0.000 0.290 125 I C -0.486 175.749 176.117 0.198 0.000 1.056 125 I CA -0.778 60.690 61.300 0.281 0.000 1.057 125 I CB 1.833 39.997 38.000 0.274 0.000 1.240 125 I HN 0.389 8.599 8.210 -0.000 0.000 0.423 126 I N 5.819 126.415 120.570 0.044 0.000 2.330 126 I HA 0.270 4.438 4.170 -0.004 0.000 0.289 126 I C -1.042 174.960 176.117 -0.191 0.000 1.001 126 I CA -0.664 60.569 61.300 -0.111 0.000 1.193 126 I CB 1.094 39.038 38.000 -0.093 0.000 1.345 126 I HN 0.463 8.673 8.210 -0.000 0.000 0.461 127 Y N 7.040 127.121 120.300 -0.365 0.000 2.330 127 Y HA 0.599 5.147 4.550 -0.004 0.000 0.336 127 Y C -0.672 174.880 175.900 -0.581 0.000 1.036 127 Y CA -0.579 57.193 58.100 -0.547 0.000 1.125 127 Y CB 1.348 39.424 38.460 -0.640 0.000 1.194 127 Y HN 0.232 8.512 8.280 -0.000 0.000 0.469 128 V N 5.767 125.075 119.914 -1.010 0.000 2.448 128 V HA 0.820 4.938 4.120 -0.004 0.000 0.295 128 V C -0.275 175.377 176.094 -0.737 0.000 1.025 128 V CA -0.732 61.160 62.300 -0.681 0.000 0.859 128 V CB 0.928 32.524 31.823 -0.378 0.000 0.988 128 V HN 0.937 9.127 8.190 -0.000 0.000 0.431 129 A N 4.979 127.537 122.820 -0.437 0.000 2.337 129 A HA 0.979 5.296 4.320 -0.004 0.000 0.331 129 A C -0.363 177.436 177.584 0.358 0.000 1.137 129 A CA -0.825 51.227 52.037 0.025 0.000 0.807 129 A CB 1.702 20.833 19.000 0.219 0.000 1.250 129 A HN 0.849 8.999 8.150 -0.000 0.000 0.468 130 R N 1.079 121.916 120.500 0.561 0.000 2.698 130 R HA 0.256 4.593 4.340 -0.004 0.000 0.275 130 R C -0.708 175.817 176.300 0.375 0.000 1.001 130 R CA -0.703 55.675 56.100 0.464 0.000 0.896 130 R CB 1.197 31.569 30.300 0.121 0.000 1.218 130 R HN 1.044 9.314 8.270 -0.000 0.000 0.462 131 N N 2.513 121.344 118.700 0.219 0.000 2.407 131 N HA -0.069 4.669 4.740 -0.004 0.000 0.250 131 N C 0.498 175.713 175.510 -0.490 0.000 1.236 131 N CA 0.636 53.577 53.050 -0.181 0.000 0.879 131 N CB 1.535 39.979 38.487 -0.072 0.000 1.088 131 N HN 0.676 9.056 8.380 -0.000 0.000 0.450 132 A N 3.623 125.863 122.820 -0.967 0.000 1.940 132 A HA -0.198 4.120 4.320 -0.004 0.000 0.219 132 A C 2.180 179.316 177.584 -0.747 0.000 1.176 132 A CA 1.303 52.554 52.037 -1.309 0.000 0.631 132 A CB -0.412 17.693 19.000 -1.490 0.000 0.814 132 A HN 0.857 9.007 8.150 -0.000 0.000 0.446 133 K N -0.569 119.382 120.400 -0.749 0.000 2.057 133 K HA -0.139 4.179 4.320 -0.004 0.000 0.207 133 K C 1.435 177.875 176.600 -0.267 0.000 1.049 133 K CA 1.430 57.261 56.287 -0.760 0.000 0.931 133 K CB -0.239 31.459 32.500 -1.337 0.000 0.714 133 K HN 0.377 8.627 8.250 -0.000 0.000 0.440 134 D N 0.491 120.759 120.400 -0.220 0.000 2.144 134 D HA -0.099 4.539 4.640 -0.004 0.000 0.200 134 D C 1.962 178.186 176.300 -0.127 0.000 0.978 134 D CA 0.678 54.633 54.000 -0.075 0.000 0.833 134 D CB -0.124 40.632 40.800 -0.072 0.000 0.961 134 D HN -0.095 8.275 8.370 -0.000 0.000 0.470 135 V N 0.721 120.510 119.914 -0.209 0.000 2.295 135 V HA -0.193 3.925 4.120 -0.004 0.000 0.246 135 V C 2.549 178.609 176.094 -0.058 0.000 1.049 135 V CA 1.343 63.570 62.300 -0.121 0.000 1.024 135 V CB -0.492 31.283 31.823 -0.080 0.000 0.648 135 V HN 0.093 8.283 8.190 -0.000 0.000 0.447 136 V N -0.434 119.266 119.914 -0.356 0.000 2.407 136 V HA -0.183 3.935 4.120 -0.004 0.000 0.248 136 V C 2.309 178.538 176.094 0.226 0.000 1.055 136 V CA 2.159 64.237 62.300 -0.369 0.000 1.049 136 V CB 0.175 31.290 31.823 -1.180 0.000 0.662 136 V HN 0.373 8.563 8.190 -0.000 0.000 0.455 137 V N -0.243 119.782 119.914 0.184 0.000 2.261 137 V HA -0.222 3.896 4.120 -0.004 0.000 0.246 137 V C 2.723 178.969 176.094 0.255 0.000 1.047 137 V CA 2.474 64.879 62.300 0.176 0.000 1.015 137 V CB -0.953 30.913 31.823 0.071 0.000 0.642 137 V HN 0.659 8.849 8.190 -0.000 0.000 0.446 138 S N -1.303 114.495 115.700 0.164 0.000 2.383 138 S HA -0.238 4.230 4.470 -0.004 0.000 0.229 138 S C 2.059 176.806 174.600 0.244 0.000 1.030 138 S CA 1.653 59.930 58.200 0.128 0.000 1.002 138 S CB -0.412 62.757 63.200 -0.052 0.000 0.829 138 S HN 0.615 8.925 8.310 -0.000 0.000 0.467 139 Y N 0.663 121.063 120.300 0.167 0.000 2.314 139 Y HA -0.010 4.538 4.550 -0.004 0.000 0.293 139 Y C 2.049 177.979 175.900 0.049 0.000 1.129 139 Y CA 0.689 58.960 58.100 0.285 0.000 1.201 139 Y CB -1.247 37.526 38.460 0.522 0.000 0.999 139 Y HN 0.496 8.776 8.280 -0.000 0.000 0.541 140 Y N -0.374 119.796 120.300 -0.217 0.000 2.097 140 Y HA -0.325 4.223 4.550 -0.004 0.000 0.282 140 Y C 2.109 177.680 175.900 -0.547 0.000 1.152 140 Y CA 2.052 59.590 58.100 -0.938 0.000 1.136 140 Y CB -1.164 36.958 38.460 -0.563 0.000 0.975 140 Y HN 0.101 8.381 8.280 -0.000 0.000 0.498 141 Y N -1.785 118.375 120.300 -0.234 0.000 2.242 141 Y HA -0.223 4.325 4.550 -0.004 0.000 0.291 141 Y C 2.348 178.172 175.900 -0.126 0.000 1.137 141 Y CA 1.459 59.402 58.100 -0.261 0.000 1.181 141 Y CB -0.732 37.657 38.460 -0.117 0.000 0.989 141 Y HN 0.223 8.503 8.280 -0.000 0.000 0.527 142 F N -0.675 119.256 119.950 -0.031 0.000 2.134 142 F HA -0.257 4.267 4.527 -0.004 0.000 0.299 142 F C 1.995 177.729 175.800 -0.111 0.000 1.097 142 F CA 1.204 59.182 58.000 -0.038 0.000 1.264 142 F CB -1.005 38.025 39.000 0.051 0.000 1.001 142 F HN 0.055 8.355 8.300 -0.000 0.000 0.479 143 Y N 0.639 120.693 120.300 -0.410 0.000 2.193 143 Y HA -0.331 4.217 4.550 -0.004 0.000 0.285 143 Y C 2.629 178.296 175.900 -0.388 0.000 1.166 143 Y CA 1.973 59.733 58.100 -0.567 0.000 1.181 143 Y CB -0.342 37.780 38.460 -0.564 0.000 0.976 143 Y HN 0.193 8.473 8.280 -0.000 0.000 0.520 144 Q N -0.764 118.879 119.800 -0.261 0.000 2.079 144 Q HA -0.223 4.115 4.340 -0.004 0.000 0.200 144 Q C 2.171 178.063 176.000 -0.179 0.000 0.974 144 Q CA 1.991 57.654 55.803 -0.234 0.000 0.840 144 Q CB -0.213 28.345 28.738 -0.300 0.000 0.898 144 Q HN 0.630 8.900 8.270 -0.000 0.000 0.430 145 M N -1.405 118.083 119.600 -0.188 0.000 2.394 145 M HA 0.249 4.727 4.480 -0.004 0.000 0.266 145 M C 0.624 176.774 176.300 -0.249 0.000 1.098 145 M CA 0.825 56.016 55.300 -0.181 0.000 1.149 145 M CB 0.300 32.820 32.600 -0.133 0.000 1.369 145 M HN -0.115 8.175 8.290 -0.000 0.000 0.450 146 A N 1.552 124.151 122.820 -0.369 0.000 2.478 146 A HA 0.474 4.792 4.320 -0.004 0.000 0.327 146 A C 0.513 177.983 177.584 -0.191 0.000 1.431 146 A CA -0.747 51.065 52.037 -0.376 0.000 1.014 146 A CB 0.087 18.585 19.000 -0.837 0.000 1.143 146 A HN 0.251 8.401 8.150 -0.000 0.000 0.532 147 K N 2.076 122.334 120.400 -0.237 0.000 2.439 147 K HA -0.061 4.256 4.320 -0.004 0.000 0.197 147 K C 1.242 177.849 176.600 0.011 0.000 1.041 147 K CA 0.456 56.623 56.287 -0.199 0.000 0.970 147 K CB -0.342 31.873 32.500 -0.474 0.000 0.773 147 K HN 0.724 8.974 8.250 -0.000 0.000 0.479 148 I N 0.990 121.540 120.570 -0.033 0.000 2.454 148 I HA -0.197 3.971 4.170 -0.004 0.000 0.254 148 I C 0.290 176.157 176.117 -0.416 0.000 1.156 148 I CA 0.909 62.072 61.300 -0.228 0.000 1.433 148 I CB -0.276 37.296 38.000 -0.714 0.000 1.082 148 I HN 0.114 8.324 8.210 -0.000 0.000 0.432 149 H N 1.101 120.008 119.070 -0.272 0.000 2.679 149 H HA 0.242 4.796 4.556 -0.004 0.000 0.369 149 H C -2.120 173.148 175.328 -0.101 0.000 1.178 149 H CA -1.450 54.448 56.048 -0.250 0.000 1.419 149 H CB -0.411 28.889 29.762 -0.770 0.000 1.458 149 H HN 0.057 8.337 8.280 -0.000 0.000 0.605 150 P HA -0.019 4.401 4.420 -0.000 0.000 0.272 150 P C -0.386 177.062 177.300 0.246 0.000 1.240 150 P CA -0.367 62.855 63.100 0.202 0.000 0.791 150 P CB 0.480 32.346 31.700 0.277 0.000 0.978 151 E N 3.150 123.463 120.200 0.189 0.000 2.558 151 E HA -0.062 4.286 4.350 -0.004 0.000 0.255 151 E C -1.448 175.317 176.600 0.275 0.000 0.968 151 E CA -0.854 55.651 56.400 0.174 0.000 0.939 151 E CB -0.208 29.558 29.700 0.110 0.000 0.921 151 E HN 0.290 8.650 8.360 -0.000 0.000 0.477 152 P HA 0.065 4.485 4.420 -0.000 0.000 0.225 152 P C 0.597 178.043 177.300 0.243 0.000 1.156 152 P CA 1.083 64.336 63.100 0.255 0.000 0.787 152 P CB 0.043 31.697 31.700 -0.077 0.000 0.802 153 G N 0.306 109.211 108.800 0.174 0.000 2.593 153 G HA2 -0.197 3.761 3.960 -0.004 0.000 0.237 153 G HA3 -0.197 3.761 3.960 -0.004 0.000 0.237 153 G C -0.019 175.005 174.900 0.206 0.000 1.312 153 G CA 0.038 45.227 45.100 0.149 0.000 0.896 153 G HN 0.548 8.838 8.290 -0.000 0.000 0.574 154 T N -1.458 113.178 114.554 0.136 0.000 2.813 154 T HA 0.305 4.653 4.350 -0.004 0.000 0.297 154 T C 1.402 176.110 174.700 0.013 0.000 1.036 154 T CA 0.805 62.979 62.100 0.123 0.000 1.044 154 T CB 1.102 69.999 68.868 0.048 0.000 0.993 154 T HN 1.342 9.582 8.240 -0.000 0.000 0.535 155 W N 1.515 122.579 121.300 -0.393 0.000 2.318 155 W HA -0.224 4.434 4.660 -0.004 0.000 0.313 155 W C 1.782 178.045 176.519 -0.427 0.000 1.221 155 W CA 1.910 58.734 57.345 -0.868 0.000 1.266 155 W CB -0.242 28.728 29.460 -0.817 0.000 1.150 155 W HN 1.010 9.190 8.180 -0.000 0.000 0.496 156 E N 0.406 120.305 120.200 -0.503 0.000 2.077 156 E HA -0.248 4.100 4.350 -0.004 0.000 0.193 156 E C 2.049 178.405 176.600 -0.408 0.000 0.989 156 E CA 1.928 58.005 56.400 -0.539 0.000 0.800 156 E CB -0.283 29.276 29.700 -0.236 0.000 0.746 156 E HN 0.373 8.733 8.360 -0.000 0.000 0.452 157 E N -0.381 119.680 120.200 -0.231 0.000 2.077 157 E HA -0.193 4.155 4.350 -0.004 0.000 0.193 157 E C 1.797 178.297 176.600 -0.166 0.000 0.989 157 E CA 1.147 57.464 56.400 -0.140 0.000 0.800 157 E CB -0.209 29.471 29.700 -0.034 0.000 0.746 157 E HN 0.286 8.646 8.360 -0.000 0.000 0.452 158 F N 1.180 120.929 119.950 -0.336 0.000 2.146 158 F HA -0.159 4.366 4.527 -0.004 0.000 0.298 158 F C 2.074 177.623 175.800 -0.418 0.000 1.096 158 F CA 0.813 58.615 58.000 -0.330 0.000 1.275 158 F CB -0.158 38.697 39.000 -0.241 0.000 1.008 158 F HN -0.001 8.299 8.300 -0.000 0.000 0.480 159 L N 0.895 121.682 121.223 -0.726 0.000 2.042 159 L HA -0.221 4.117 4.340 -0.004 0.000 0.210 159 L C 2.321 178.986 176.870 -0.342 0.000 1.076 159 L CA 2.385 56.762 54.840 -0.772 0.000 0.749 159 L CB -1.180 40.120 42.059 -1.266 0.000 0.893 159 L HN 0.374 8.604 8.230 -0.000 0.000 0.432 160 E N -0.894 119.120 120.200 -0.310 0.000 2.051 160 E HA -0.239 4.109 4.350 -0.004 0.000 0.192 160 E C 2.032 178.547 176.600 -0.141 0.000 0.991 160 E CA 1.137 57.438 56.400 -0.166 0.000 0.799 160 E CB 0.033 29.644 29.700 -0.149 0.000 0.748 160 E HN 0.319 8.679 8.360 -0.000 0.000 0.449 161 K N 0.145 120.412 120.400 -0.221 0.000 2.057 161 K HA -0.170 4.148 4.320 -0.004 0.000 0.207 161 K C 2.021 178.502 176.600 -0.197 0.000 1.049 161 K CA 1.124 57.282 56.287 -0.215 0.000 0.931 161 K CB -0.669 31.664 32.500 -0.279 0.000 0.714 161 K HN 0.242 8.492 8.250 -0.000 0.000 0.440 162 F N 1.566 121.240 119.950 -0.460 0.000 2.102 162 F HA -0.174 4.351 4.527 -0.004 0.000 0.298 162 F C 2.279 178.103 175.800 0.040 0.000 1.105 162 F CA 1.463 59.310 58.000 -0.255 0.000 1.239 162 F CB -0.156 38.652 39.000 -0.320 0.000 0.991 162 F HN -0.094 8.206 8.300 -0.000 0.000 0.474 163 M N -0.068 119.684 119.600 0.253 0.000 2.213 163 M HA -0.165 4.313 4.480 -0.004 0.000 0.263 163 M C 2.134 178.466 176.300 0.053 0.000 1.062 163 M CA 1.634 57.071 55.300 0.229 0.000 1.105 163 M CB -0.563 32.117 32.600 0.134 0.000 1.385 163 M HN 0.294 8.584 8.290 -0.000 0.000 0.417 164 A N -0.389 122.425 122.820 -0.010 0.000 2.251 164 A HA 0.372 4.690 4.320 -0.004 0.000 0.209 164 A C 1.669 179.243 177.584 -0.016 0.000 1.187 164 A CA 0.714 52.730 52.037 -0.035 0.000 0.823 164 A CB -0.782 18.191 19.000 -0.045 0.000 0.846 164 A HN 0.644 8.794 8.150 -0.000 0.000 0.486 165 G N -0.829 107.961 108.800 -0.018 0.000 2.153 165 G HA2 -0.300 3.658 3.960 -0.004 0.000 0.252 165 G HA3 -0.300 3.658 3.960 -0.004 0.000 0.252 165 G C 0.210 175.128 174.900 0.031 0.000 0.994 165 G CA 0.509 45.616 45.100 0.012 0.000 0.698 165 G HN 0.631 8.921 8.290 -0.000 0.000 0.521 166 Q N 0.062 119.857 119.800 -0.008 0.000 3.122 166 Q HA 0.480 4.818 4.340 -0.004 0.000 0.360 166 Q C 0.418 176.437 176.000 0.032 0.000 1.300 166 Q CA 0.226 56.036 55.803 0.013 0.000 0.982 166 Q CB 0.651 29.383 28.738 -0.009 0.000 1.534 166 Q HN 0.881 9.151 8.270 -0.000 0.000 0.474 167 V N -4.165 115.808 119.914 0.098 0.000 3.130 167 V HA 0.545 4.663 4.120 -0.004 0.000 0.310 167 V C -0.062 176.211 176.094 0.299 0.000 1.158 167 V CA -1.333 61.092 62.300 0.209 0.000 1.029 167 V CB 1.847 33.733 31.823 0.106 0.000 1.057 167 V HN 0.139 8.329 8.190 -0.000 0.000 0.436 168 S N 0.935 116.885 115.700 0.417 0.000 2.544 168 S HA 0.377 4.844 4.470 -0.004 0.000 0.290 168 S C 0.151 174.934 174.600 0.304 0.000 1.276 168 S CA 0.900 59.207 58.200 0.177 0.000 1.075 168 S CB -1.236 62.082 63.200 0.198 0.000 0.849 168 S HN 1.362 9.672 8.310 -0.000 0.000 0.494 169 F N 1.861 121.871 119.950 0.100 0.000 2.699 169 F HA -0.183 4.342 4.527 -0.004 0.000 0.343 169 F C 1.120 177.090 175.800 0.283 0.000 0.633 169 F CA 1.104 59.193 58.000 0.147 0.000 1.365 169 F CB -1.927 37.103 39.000 0.049 0.000 1.795 169 F HN 1.290 9.590 8.300 -0.000 0.000 0.304 170 G N -0.839 108.177 108.800 0.360 0.000 2.642 170 G HA2 -0.115 3.842 3.960 -0.004 0.000 0.231 170 G HA3 -0.115 3.842 3.960 -0.004 0.000 0.231 170 G C -2.790 172.351 174.900 0.401 0.000 1.338 170 G CA -0.602 44.690 45.100 0.319 0.000 0.883 170 G HN 0.270 8.560 8.290 -0.000 0.000 0.570 171 P HA 0.189 4.609 4.420 -0.000 0.000 0.276 171 P C 0.344 177.688 177.300 0.073 0.000 1.230 171 P CA 0.143 63.337 63.100 0.157 0.000 0.776 171 P CB 0.848 32.669 31.700 0.202 0.000 0.888 172 W N 4.552 125.439 121.300 -0.689 0.000 2.338 172 W HA -0.244 4.414 4.660 -0.003 0.000 0.304 172 W C 1.518 177.750 176.519 -0.477 0.000 1.212 172 W CA 1.373 58.051 57.345 -1.113 0.000 1.264 172 W CB -0.964 27.695 29.460 -1.335 0.000 1.142 172 W HN 0.308 8.488 8.180 -0.000 0.000 0.512 173 Y N 0.743 121.060 120.300 0.029 0.000 2.097 173 Y HA -0.275 4.273 4.550 -0.004 0.000 0.282 173 Y C 2.472 178.276 175.900 -0.160 0.000 1.152 173 Y CA 1.908 59.964 58.100 -0.073 0.000 1.136 173 Y CB -1.315 37.156 38.460 0.019 0.000 0.975 173 Y HN -0.104 8.176 8.280 -0.000 0.000 0.498 174 D N -1.453 119.023 120.400 0.125 0.000 2.144 174 D HA -0.175 4.462 4.640 -0.004 0.000 0.200 174 D C 2.098 178.460 176.300 0.104 0.000 0.978 174 D CA 1.224 55.279 54.000 0.092 0.000 0.833 174 D CB -0.473 40.393 40.800 0.109 0.000 0.961 174 D HN 0.413 8.783 8.370 -0.000 0.000 0.470 175 H N 1.003 120.103 119.070 0.050 0.000 2.290 175 H HA -0.118 4.436 4.556 -0.004 0.000 0.298 175 H C 2.216 177.667 175.328 0.205 0.000 1.087 175 H CA 2.188 58.368 56.048 0.221 0.000 1.291 175 H CB -0.044 29.919 29.762 0.334 0.000 1.369 175 H HN 0.091 8.371 8.280 -0.000 0.000 0.492 176 V N -0.621 119.342 119.914 0.082 0.000 2.427 176 V HA -0.127 3.990 4.120 -0.004 0.000 0.248 176 V C 2.322 178.521 176.094 0.175 0.000 1.051 176 V CA 1.687 64.059 62.300 0.120 0.000 1.048 176 V CB -0.438 31.236 31.823 -0.248 0.000 0.666 176 V HN 0.161 8.351 8.190 -0.000 0.000 0.456 177 K N 1.774 122.206 120.400 0.054 0.000 2.057 177 K HA -0.089 4.229 4.320 -0.004 0.000 0.206 177 K C 2.562 179.246 176.600 0.140 0.000 1.050 177 K CA 1.827 58.176 56.287 0.102 0.000 0.935 177 K CB -0.371 32.157 32.500 0.045 0.000 0.715 177 K HN 0.743 8.993 8.250 -0.000 0.000 0.439 178 S N -0.074 115.662 115.700 0.061 0.000 2.387 178 S HA -0.139 4.329 4.470 -0.004 0.000 0.226 178 S C 1.819 176.369 174.600 -0.083 0.000 1.026 178 S CA 0.384 58.558 58.200 -0.043 0.000 0.972 178 S CB -0.648 62.473 63.200 -0.131 0.000 0.814 178 S HN 0.398 8.708 8.310 -0.000 0.000 0.477 179 W N 1.299 122.549 121.300 -0.083 0.000 2.388 179 W HA 0.087 4.744 4.660 -0.004 0.000 0.294 179 W C 2.354 178.886 176.519 0.022 0.000 1.212 179 W CA 0.536 57.772 57.345 -0.181 0.000 1.271 179 W CB -0.298 28.699 29.460 -0.772 0.000 1.126 179 W HN 0.387 8.567 8.180 -0.000 0.000 0.535 180 W N 1.551 122.922 121.300 0.118 0.000 2.355 180 W HA -0.217 4.441 4.660 -0.003 0.000 0.309 180 W C 1.375 177.837 176.519 -0.096 0.000 1.206 180 W CA 1.977 59.231 57.345 -0.151 0.000 1.284 180 W CB -0.396 28.877 29.460 -0.312 0.000 1.145 180 W HN -0.013 8.167 8.180 -0.000 0.000 0.502 181 E N 0.411 120.604 120.200 -0.012 0.000 2.153 181 E HA -0.260 4.087 4.350 -0.004 0.000 0.194 181 E C 1.882 178.385 176.600 -0.162 0.000 0.988 181 E CA 1.252 57.566 56.400 -0.143 0.000 0.811 181 E CB -0.268 29.398 29.700 -0.057 0.000 0.746 181 E HN -0.049 8.311 8.360 -0.000 0.000 0.466 182 K N 1.495 121.833 120.400 -0.104 0.000 2.360 182 K HA -0.141 4.176 4.320 -0.004 0.000 0.201 182 K C 1.853 178.457 176.600 0.007 0.000 1.046 182 K CA 0.870 57.106 56.287 -0.085 0.000 0.945 182 K CB -0.075 32.345 32.500 -0.133 0.000 0.750 182 K HN 0.095 8.345 8.250 -0.000 0.000 0.464 183 R N -0.160 120.321 120.500 -0.032 0.000 2.293 183 R HA -0.075 4.263 4.340 -0.004 0.000 0.219 183 R C 0.802 177.046 176.300 -0.092 0.000 1.091 183 R CA 1.008 57.091 56.100 -0.030 0.000 1.004 183 R CB -0.105 30.097 30.300 -0.164 0.000 0.865 183 R HN -0.045 8.225 8.270 -0.000 0.000 0.469 184 K N 1.013 121.322 120.400 -0.152 0.000 2.365 184 K HA 0.004 4.322 4.320 -0.004 0.000 0.197 184 K C 1.147 177.649 176.600 -0.163 0.000 1.042 184 K CA 0.895 57.090 56.287 -0.155 0.000 0.987 184 K CB 0.319 32.716 32.500 -0.171 0.000 0.779 184 K HN 0.508 8.758 8.250 -0.000 0.000 0.484 185 E N -1.152 118.942 120.200 -0.176 0.000 2.290 185 E HA 0.091 4.439 4.350 -0.004 0.000 0.197 185 E C -0.279 175.889 176.600 -0.720 0.000 0.948 185 E CA 0.293 56.461 56.400 -0.387 0.000 0.895 185 E CB 0.459 29.968 29.700 -0.319 0.000 0.865 185 E HN 0.093 8.453 8.360 -0.000 0.000 0.486 186 Y N -0.284 120.046 120.300 0.050 0.000 2.609 186 Y HA 0.381 4.928 4.550 -0.004 0.000 0.342 186 Y C -0.352 175.674 175.900 0.210 0.000 1.058 186 Y CA -1.206 57.002 58.100 0.180 0.000 1.055 186 Y CB 1.234 39.904 38.460 0.350 0.000 1.292 186 Y HN -0.329 7.951 8.280 -0.000 0.000 0.476 187 R N 2.315 123.061 120.500 0.410 0.000 2.309 187 R HA 0.375 4.713 4.340 -0.004 0.000 0.331 187 R C -1.264 175.359 176.300 0.538 0.000 1.116 187 R CA 0.292 56.644 56.100 0.420 0.000 0.970 187 R CB -0.456 30.065 30.300 0.368 0.000 1.024 187 R HN 0.440 8.710 8.270 -0.000 0.000 0.472 188 I N 4.213 125.006 120.570 0.372 0.000 2.410 188 I HA 0.143 4.311 4.170 -0.004 0.000 0.286 188 I C -0.683 175.410 176.117 -0.040 0.000 1.009 188 I CA -1.137 60.308 61.300 0.243 0.000 1.111 188 I CB 1.773 39.969 38.000 0.328 0.000 1.262 188 I HN 0.305 8.515 8.210 -0.000 0.000 0.443 189 L N 8.071 128.988 121.223 -0.511 0.000 2.283 189 L HA 0.264 4.602 4.340 -0.004 0.000 0.287 189 L C -1.174 175.597 176.870 -0.166 0.000 1.073 189 L CA 0.130 54.611 54.840 -0.599 0.000 0.822 189 L CB 0.083 41.368 42.059 -1.289 0.000 1.186 189 L HN 0.441 8.671 8.230 -0.000 0.000 0.436 190 Y N 6.035 126.283 120.300 -0.086 0.000 2.434 190 Y HA 0.536 5.084 4.550 -0.004 0.000 0.341 190 Y C -0.792 175.075 175.900 -0.056 0.000 0.965 190 Y CA -0.591 57.526 58.100 0.028 0.000 1.205 190 Y CB 0.654 39.237 38.460 0.205 0.000 1.121 190 Y HN 0.548 8.828 8.280 -0.000 0.000 0.507 191 L N 5.446 126.569 121.223 -0.166 0.000 2.334 191 L HA 0.543 4.881 4.340 -0.004 0.000 0.270 191 L C -1.188 175.461 176.870 -0.368 0.000 1.018 191 L CA -1.008 53.755 54.840 -0.128 0.000 0.811 191 L CB 1.501 43.467 42.059 -0.155 0.000 1.271 191 L HN 0.470 8.700 8.230 -0.000 0.000 0.443 192 F N -0.423 119.563 119.950 0.061 0.000 2.507 192 F HA 0.231 4.756 4.527 -0.003 0.000 0.325 192 F C 0.652 176.518 175.800 0.109 0.000 1.116 192 F CA -0.576 57.500 58.000 0.127 0.000 0.930 192 F CB 1.181 40.254 39.000 0.123 0.000 1.146 192 F HN 0.325 8.625 8.300 -0.000 0.000 0.447 193 Y N 1.754 122.170 120.300 0.192 0.000 2.139 193 Y HA -0.308 4.240 4.550 -0.004 0.000 0.282 193 Y C 1.869 177.896 175.900 0.212 0.000 1.179 193 Y CA 2.183 60.380 58.100 0.161 0.000 1.161 193 Y CB 0.149 38.747 38.460 0.229 0.000 0.970 193 Y HN 0.646 8.926 8.280 -0.000 0.000 0.511 194 E N 0.194 120.683 120.200 0.483 0.000 2.153 194 E HA -0.179 4.169 4.350 -0.004 0.000 0.194 194 E C 1.725 178.429 176.600 0.174 0.000 0.988 194 E CA 1.487 58.089 56.400 0.337 0.000 0.811 194 E CB -0.270 29.621 29.700 0.319 0.000 0.746 194 E HN 0.545 8.905 8.360 -0.000 0.000 0.466 195 D N -0.319 120.177 120.400 0.160 0.000 2.144 195 D HA -0.121 4.517 4.640 -0.004 0.000 0.200 195 D C 1.783 178.086 176.300 0.004 0.000 0.978 195 D CA 0.811 54.861 54.000 0.082 0.000 0.833 195 D CB -0.159 40.711 40.800 0.116 0.000 0.961 195 D HN 0.130 8.500 8.370 -0.000 0.000 0.470 196 M N 0.677 120.214 119.600 -0.106 0.000 2.229 196 M HA -0.088 4.390 4.480 -0.004 0.000 0.264 196 M C 1.569 177.848 176.300 -0.034 0.000 1.063 196 M CA 1.265 56.392 55.300 -0.287 0.000 1.114 196 M CB 0.106 32.167 32.600 -0.899 0.000 1.387 196 M HN -0.279 8.011 8.290 -0.000 0.000 0.420 197 K N 0.047 120.489 120.400 0.071 0.000 2.057 197 K HA -0.175 4.143 4.320 -0.004 0.000 0.207 197 K C 2.053 178.717 176.600 0.107 0.000 1.049 197 K CA 1.754 58.141 56.287 0.167 0.000 0.931 197 K CB -0.522 32.055 32.500 0.128 0.000 0.714 197 K HN 0.622 8.872 8.250 -0.000 0.000 0.440 198 E N 0.268 120.515 120.200 0.078 0.000 2.072 198 E HA -0.118 4.230 4.350 -0.004 0.000 0.190 198 E C 0.211 176.842 176.600 0.052 0.000 0.982 198 E CA 0.675 57.111 56.400 0.060 0.000 0.803 198 E CB 0.286 30.018 29.700 0.054 0.000 0.755 198 E HN 0.002 8.362 8.360 -0.000 0.000 0.453 199 N N -0.459 118.268 118.700 0.045 0.000 2.722 199 N HA 0.116 4.854 4.740 -0.004 0.000 0.242 199 N C -2.391 173.136 175.510 0.027 0.000 1.398 199 N CA -1.394 51.679 53.050 0.039 0.000 0.755 199 N CB 1.459 39.965 38.487 0.033 0.000 1.268 199 N HN -0.037 8.342 8.380 -0.000 0.000 0.522 200 P HA -0.157 4.263 4.420 -0.000 0.000 0.218 200 P C 1.251 178.563 177.300 0.020 0.000 1.149 200 P CA 0.998 64.114 63.100 0.026 0.000 0.817 200 P CB 0.777 32.553 31.700 0.128 0.000 0.785 201 K N -0.255 120.171 120.400 0.043 0.000 2.026 201 K HA -0.167 4.150 4.320 -0.004 0.000 0.208 201 K C 2.309 178.928 176.600 0.031 0.000 1.048 201 K CA 1.643 57.956 56.287 0.043 0.000 0.929 201 K CB -0.838 31.692 32.500 0.050 0.000 0.713 201 K HN 0.063 8.313 8.250 -0.000 0.000 0.439 202 C N 1.743 121.059 119.300 0.027 0.000 2.413 202 C HA -0.088 4.370 4.460 -0.004 0.000 0.276 202 C C 2.408 177.408 174.990 0.016 0.000 1.248 202 C CA 1.228 60.261 59.018 0.026 0.000 1.742 202 C CB -0.775 26.981 27.740 0.027 0.000 2.017 202 C HN 0.514 8.744 8.230 -0.000 0.000 0.481 203 E N 0.671 120.866 120.200 -0.008 0.000 2.072 203 E HA -0.070 4.278 4.350 -0.004 0.000 0.190 203 E C 2.029 178.607 176.600 -0.037 0.000 0.982 203 E CA 1.268 57.646 56.400 -0.037 0.000 0.803 203 E CB -0.516 29.122 29.700 -0.103 0.000 0.755 203 E HN 0.728 9.088 8.360 -0.000 0.000 0.453 204 I N 1.489 122.042 120.570 -0.029 0.000 2.286 204 I HA -0.268 3.900 4.170 -0.004 0.000 0.248 204 I C 2.501 178.638 176.117 0.034 0.000 1.115 204 I CA 0.942 62.241 61.300 -0.002 0.000 1.392 204 I CB -0.275 37.736 38.000 0.018 0.000 1.065 204 I HN 0.042 8.252 8.210 -0.000 0.000 0.418 205 Q N 1.072 120.894 119.800 0.038 0.000 2.135 205 Q HA -0.229 4.109 4.340 -0.004 0.000 0.204 205 Q C 2.185 178.223 176.000 0.064 0.000 0.981 205 Q CA 1.524 57.358 55.803 0.052 0.000 0.856 205 Q CB -0.275 28.491 28.738 0.047 0.000 0.902 205 Q HN 0.541 8.811 8.270 -0.000 0.000 0.425 206 K N 0.374 120.807 120.400 0.055 0.000 2.057 206 K HA -0.079 4.238 4.320 -0.004 0.000 0.207 206 K C 2.189 178.852 176.600 0.105 0.000 1.049 206 K CA 0.976 57.305 56.287 0.070 0.000 0.931 206 K CB -0.133 32.394 32.500 0.044 0.000 0.714 206 K HN 0.142 8.392 8.250 -0.000 0.000 0.440 207 I N 1.028 121.646 120.570 0.081 0.000 2.179 207 I HA -0.307 3.860 4.170 -0.004 0.000 0.242 207 I C 2.142 178.372 176.117 0.188 0.000 1.088 207 I CA 1.259 62.638 61.300 0.132 0.000 1.357 207 I CB -0.294 37.747 38.000 0.068 0.000 1.051 207 I HN 0.113 8.323 8.210 -0.000 0.000 0.409 208 L N 0.456 121.756 121.223 0.129 0.000 2.042 208 L HA -0.248 4.090 4.340 -0.004 0.000 0.210 208 L C 2.599 179.541 176.870 0.119 0.000 1.076 208 L CA 1.620 56.530 54.840 0.117 0.000 0.749 208 L CB -0.590 41.521 42.059 0.086 0.000 0.893 208 L HN 0.180 8.410 8.230 -0.000 0.000 0.432 209 K N -0.750 119.727 120.400 0.128 0.000 2.057 209 K HA -0.201 4.117 4.320 -0.004 0.000 0.207 209 K C 2.106 178.804 176.600 0.165 0.000 1.049 209 K CA 1.462 57.823 56.287 0.123 0.000 0.931 209 K CB -0.319 32.249 32.500 0.114 0.000 0.714 209 K HN 0.096 8.346 8.250 -0.000 0.000 0.440 210 F N 1.800 121.783 119.950 0.054 0.000 2.171 210 F HA -0.124 4.402 4.527 -0.003 0.000 0.300 210 F C 1.564 177.405 175.800 0.068 0.000 1.090 210 F CA 1.262 59.299 58.000 0.063 0.000 1.293 210 F CB -0.061 38.980 39.000 0.068 0.000 1.013 210 F HN -0.102 8.198 8.300 -0.000 0.000 0.486 211 L N 0.113 121.374 121.223 0.062 0.000 2.599 211 L HA 0.005 4.343 4.340 -0.004 0.000 0.230 211 L C 0.386 177.233 176.870 -0.038 0.000 1.141 211 L CA 0.551 55.377 54.840 -0.023 0.000 0.877 211 L CB -0.768 41.355 42.059 0.107 0.000 1.009 211 L HN 0.151 8.381 8.230 -0.000 0.000 0.447 212 E N 0.223 120.412 120.200 -0.017 0.000 2.389 212 E HA -0.211 4.137 4.350 -0.004 0.000 0.243 212 E C -0.258 176.340 176.600 -0.002 0.000 1.154 212 E CA 0.494 56.887 56.400 -0.012 0.000 0.723 212 E CB -1.267 28.410 29.700 -0.039 0.000 1.261 212 E HN 0.464 8.824 8.360 -0.000 0.000 0.390 213 K N 0.995 121.407 120.400 0.020 0.000 2.292 213 K HA 0.362 4.680 4.320 -0.004 0.000 0.257 213 K C -0.795 175.823 176.600 0.030 0.000 0.940 213 K CA -0.849 55.450 56.287 0.019 0.000 0.811 213 K CB 1.443 33.960 32.500 0.028 0.000 1.120 213 K HN -0.025 8.225 8.250 -0.000 0.000 0.428 214 D N 4.267 124.679 120.400 0.021 0.000 2.425 214 D HA 0.346 4.984 4.640 -0.004 0.000 0.240 214 D C -0.768 175.546 176.300 0.023 0.000 1.080 214 D CA -0.600 53.415 54.000 0.025 0.000 0.836 214 D CB 0.593 41.405 40.800 0.020 0.000 1.125 214 D HN 0.521 8.891 8.370 -0.000 0.000 0.525 215 I N 0.067 120.655 120.570 0.030 0.000 2.846 215 I HA 0.754 4.922 4.170 -0.004 0.000 0.307 215 I C -2.519 173.617 176.117 0.031 0.000 1.053 215 I CA -2.708 58.610 61.300 0.030 0.000 1.050 215 I CB 1.940 39.964 38.000 0.039 0.000 1.239 215 I HN 0.085 8.295 8.210 -0.000 0.000 0.439 216 P HA 0.137 4.557 4.420 -0.000 0.000 0.269 216 P C 0.272 177.593 177.300 0.035 0.000 1.209 216 P CA -0.162 62.955 63.100 0.028 0.000 0.776 216 P CB 0.587 32.302 31.700 0.024 0.000 0.876 217 E N 1.637 121.856 120.200 0.033 0.000 2.097 217 E HA -0.233 4.115 4.350 -0.004 0.000 0.196 217 E C 1.467 178.092 176.600 0.041 0.000 1.000 217 E CA 1.616 58.038 56.400 0.037 0.000 0.804 217 E CB -0.147 29.572 29.700 0.032 0.000 0.740 217 E HN 0.605 8.965 8.360 -0.000 0.000 0.454 218 E N -0.034 120.187 120.200 0.035 0.000 2.110 218 E HA -0.154 4.194 4.350 -0.004 0.000 0.193 218 E C 2.069 178.699 176.600 0.050 0.000 0.988 218 E CA 0.644 57.066 56.400 0.037 0.000 0.804 218 E CB -0.004 29.712 29.700 0.027 0.000 0.745 218 E HN 0.197 8.557 8.360 -0.000 0.000 0.458 219 I N 0.741 121.341 120.570 0.050 0.000 2.286 219 I HA -0.188 3.980 4.170 -0.004 0.000 0.245 219 I C 2.462 178.626 176.117 0.079 0.000 1.104 219 I CA 0.675 62.012 61.300 0.061 0.000 1.397 219 I CB -1.003 37.027 38.000 0.050 0.000 1.072 219 I HN 0.191 8.401 8.210 -0.000 0.000 0.417 220 L N 1.870 123.136 121.223 0.071 0.000 2.013 220 L HA -0.222 4.115 4.340 -0.004 0.000 0.212 220 L C 2.103 179.031 176.870 0.097 0.000 1.073 220 L CA 1.971 56.859 54.840 0.079 0.000 0.753 220 L CB -0.987 41.111 42.059 0.065 0.000 0.890 220 L HN 0.208 8.438 8.230 -0.000 0.000 0.432 221 N N -0.122 118.632 118.700 0.091 0.000 2.244 221 N HA -0.202 4.535 4.740 -0.004 0.000 0.183 221 N C 1.841 177.443 175.510 0.153 0.000 1.016 221 N CA 1.308 54.420 53.050 0.104 0.000 0.866 221 N CB -0.236 38.295 38.487 0.073 0.000 0.980 221 N HN 0.467 8.847 8.380 -0.000 0.000 0.430 222 K N 0.803 121.299 120.400 0.160 0.000 2.057 222 K HA 0.035 4.352 4.320 -0.004 0.000 0.206 222 K C 1.954 178.767 176.600 0.354 0.000 1.050 222 K CA 0.723 57.168 56.287 0.262 0.000 0.935 222 K CB -0.021 32.595 32.500 0.195 0.000 0.715 222 K HN 0.066 8.316 8.250 -0.000 0.000 0.439 223 I N 0.859 121.564 120.570 0.224 0.000 2.226 223 I HA -0.274 3.894 4.170 -0.004 0.000 0.245 223 I C 2.247 178.488 176.117 0.207 0.000 1.100 223 I CA 0.578 61.999 61.300 0.201 0.000 1.374 223 I CB -0.231 37.850 38.000 0.136 0.000 1.057 223 I HN 0.193 8.403 8.210 -0.000 0.000 0.413 224 L N 0.194 121.525 121.223 0.180 0.000 2.012 224 L HA -0.286 4.052 4.340 -0.004 0.000 0.210 224 L C 2.514 179.475 176.870 0.152 0.000 1.073 224 L CA 1.962 56.899 54.840 0.161 0.000 0.748 224 L CB -0.874 41.267 42.059 0.137 0.000 0.891 224 L HN 0.243 8.473 8.230 -0.000 0.000 0.431 225 Y N -0.520 119.806 120.300 0.044 0.000 2.145 225 Y HA -0.260 4.288 4.550 -0.004 0.000 0.286 225 Y C 2.610 178.430 175.900 -0.134 0.000 1.145 225 Y CA 2.194 60.247 58.100 -0.078 0.000 1.148 225 Y CB -0.339 38.012 38.460 -0.182 0.000 0.981 225 Y HN 0.361 8.641 8.280 -0.000 0.000 0.507 226 H N -1.163 117.949 119.070 0.071 0.000 2.547 226 H HA 0.036 4.590 4.556 -0.003 0.000 0.272 226 H C 1.976 177.285 175.328 -0.032 0.000 0.989 226 H CA 1.153 57.194 56.048 -0.011 0.000 1.214 226 H CB -0.079 29.745 29.762 0.102 0.000 1.389 226 H HN 0.429 8.709 8.280 -0.000 0.000 0.577 227 S N 0.440 116.210 115.700 0.116 0.000 2.556 227 S HA 0.019 4.487 4.470 -0.004 0.000 0.216 227 S C 1.011 175.672 174.600 0.103 0.000 0.970 227 S CA -0.405 57.900 58.200 0.175 0.000 0.912 227 S CB -0.047 63.339 63.200 0.310 0.000 0.790 227 S HN 0.262 8.572 8.310 -0.000 0.000 0.504 228 S N 0.839 116.507 115.700 -0.053 0.000 2.579 228 S HA 0.343 4.811 4.470 -0.004 0.000 0.275 228 S C 0.587 175.076 174.600 -0.185 0.000 1.345 228 S CA -0.692 57.441 58.200 -0.111 0.000 1.031 228 S CB 0.083 63.180 63.200 -0.172 0.000 0.892 228 S HN 0.277 8.587 8.310 -0.000 0.000 0.529 229 F N 2.597 122.334 119.950 -0.355 0.000 2.126 229 F HA -0.104 4.421 4.527 -0.004 0.000 0.299 229 F C 2.470 178.147 175.800 -0.205 0.000 1.096 229 F CA 2.113 59.917 58.000 -0.327 0.000 1.255 229 F CB -0.869 37.930 39.000 -0.336 0.000 0.997 229 F HN 0.667 8.967 8.300 -0.000 0.000 0.479 230 S N -0.220 115.401 115.700 -0.133 0.000 2.370 230 S HA -0.190 4.277 4.470 -0.004 0.000 0.226 230 S C 2.162 176.604 174.600 -0.263 0.000 1.033 230 S CA 1.507 59.599 58.200 -0.180 0.000 1.011 230 S CB -0.660 62.481 63.200 -0.098 0.000 0.852 230 S HN 0.268 8.578 8.310 -0.000 0.000 0.457 231 V N 1.799 121.536 119.914 -0.294 0.000 2.346 231 V HA -0.084 4.034 4.120 -0.004 0.000 0.244 231 V C 2.227 178.191 176.094 -0.218 0.000 1.037 231 V CA 1.525 63.663 62.300 -0.270 0.000 1.029 231 V CB -0.574 31.014 31.823 -0.392 0.000 0.663 231 V HN 0.454 8.644 8.190 -0.000 0.000 0.454 232 M N 0.491 119.944 119.600 -0.244 0.000 2.159 232 M HA -0.200 4.278 4.480 -0.004 0.000 0.263 232 M C 2.278 178.426 176.300 -0.254 0.000 1.063 232 M CA 1.956 57.138 55.300 -0.196 0.000 1.110 232 M CB -0.538 31.966 32.600 -0.159 0.000 1.374 232 M HN 0.445 8.735 8.290 -0.000 0.000 0.411 233 K N -0.120 119.998 120.400 -0.470 0.000 2.147 233 K HA -0.131 4.187 4.320 -0.004 0.000 0.205 233 K C 1.024 177.484 176.600 -0.234 0.000 1.049 233 K CA 1.203 57.209 56.287 -0.468 0.000 0.936 233 K CB -0.160 31.836 32.500 -0.840 0.000 0.722 233 K HN 0.242 8.492 8.250 -0.000 0.000 0.446 234 E N 0.967 121.049 120.200 -0.197 0.000 2.474 234 E HA 0.018 4.365 4.350 -0.004 0.000 0.195 234 E C -0.364 176.184 176.600 -0.086 0.000 1.039 234 E CA 0.034 56.362 56.400 -0.119 0.000 0.881 234 E CB 0.002 29.642 29.700 -0.100 0.000 0.970 234 E HN 0.277 8.637 8.360 -0.000 0.000 0.486 235 N N 2.535 121.182 118.700 -0.089 0.000 2.437 235 N HA 0.064 4.801 4.740 -0.004 0.000 0.243 235 N C -1.781 173.688 175.510 -0.068 0.000 1.041 235 N CA -2.070 50.942 53.050 -0.062 0.000 0.940 235 N CB 1.347 39.804 38.487 -0.051 0.000 1.133 235 N HN -0.205 8.175 8.380 -0.000 0.000 0.506 236 P HA -0.037 4.383 4.420 -0.000 0.000 0.225 236 P C 0.484 177.726 177.300 -0.097 0.000 1.148 236 P CA 0.779 63.834 63.100 -0.074 0.000 0.779 236 P CB 0.365 32.027 31.700 -0.063 0.000 0.780 237 S N -0.755 114.882 115.700 -0.104 0.000 2.562 237 S HA 0.200 4.668 4.470 -0.004 0.000 0.221 237 S C 1.773 176.265 174.600 -0.179 0.000 0.975 237 S CA 0.781 58.891 58.200 -0.149 0.000 0.918 237 S CB -0.181 62.946 63.200 -0.122 0.000 0.772 237 S HN 0.233 8.543 8.310 -0.000 0.000 0.531 238 A N 1.914 124.656 122.820 -0.130 0.000 2.312 238 A HA 0.180 4.498 4.320 -0.004 0.000 0.215 238 A C 1.272 178.820 177.584 -0.061 0.000 1.256 238 A CA -0.018 51.955 52.037 -0.107 0.000 0.966 238 A CB 0.049 19.023 19.000 -0.042 0.000 1.053 238 A HN 0.491 8.641 8.150 -0.000 0.000 0.510 239 N N -2.162 116.518 118.700 -0.033 0.000 2.230 239 N HA 0.075 4.813 4.740 -0.004 0.000 0.202 239 N C -0.000 175.651 175.510 0.236 0.000 1.119 239 N CA -0.085 53.028 53.050 0.104 0.000 0.851 239 N CB -0.489 38.023 38.487 0.040 0.000 0.990 239 N HN 0.296 8.676 8.380 -0.000 0.000 0.497 240 Y N -0.902 119.387 120.300 -0.018 0.000 4.907 240 Y HA -0.317 4.230 4.550 -0.004 0.000 0.246 240 Y C 1.569 177.581 175.900 0.187 0.000 0.968 240 Y CA 1.192 59.351 58.100 0.097 0.000 1.961 240 Y CB -2.552 35.839 38.460 -0.115 0.000 1.487 240 Y HN 0.432 8.712 8.280 -0.000 0.000 0.575 241 T N -4.557 110.010 114.554 0.022 0.000 3.072 241 T HA -0.108 4.240 4.350 -0.004 0.000 0.266 241 T C 1.625 176.323 174.700 -0.005 0.000 1.127 241 T CA 1.230 63.205 62.100 -0.208 0.000 1.107 241 T CB -0.399 68.293 68.868 -0.294 0.000 0.910 241 T HN 0.593 8.833 8.240 -0.000 0.000 0.513 242 T N -0.574 114.028 114.554 0.080 0.000 3.085 242 T HA 0.273 4.620 4.350 -0.004 0.000 0.263 242 T C 1.005 175.820 174.700 0.193 0.000 1.127 242 T CA -0.236 61.930 62.100 0.110 0.000 1.103 242 T CB -0.474 68.442 68.868 0.080 0.000 0.921 242 T HN 0.213 8.453 8.240 -0.000 0.000 0.510 243 M N 2.783 122.523 119.600 0.232 0.000 2.249 243 M HA 0.216 4.693 4.480 -0.004 0.000 0.340 243 M C 0.756 177.129 176.300 0.122 0.000 1.166 243 M CA 0.065 55.459 55.300 0.155 0.000 1.115 243 M CB 0.541 33.239 32.600 0.164 0.000 1.606 243 M HN 0.489 8.779 8.290 -0.000 0.000 0.448 244 M N 2.031 121.682 119.600 0.085 0.000 2.249 244 M HA 0.080 4.558 4.480 -0.004 0.000 0.340 244 M C 0.851 177.169 176.300 0.030 0.000 1.166 244 M CA 0.287 55.624 55.300 0.062 0.000 1.115 244 M CB 0.520 33.160 32.600 0.067 0.000 1.606 244 M HN 0.503 8.793 8.290 -0.000 0.000 0.448 245 K N 2.175 122.587 120.400 0.020 0.000 2.147 245 K HA -0.152 4.166 4.320 -0.004 0.000 0.205 245 K C 1.298 177.835 176.600 -0.106 0.000 1.049 245 K CA 1.955 58.239 56.287 -0.005 0.000 0.936 245 K CB -0.060 32.443 32.500 0.006 0.000 0.722 245 K HN 0.854 9.104 8.250 -0.000 0.000 0.446 246 E N 0.328 120.444 120.200 -0.140 0.000 2.204 246 E HA -0.147 4.201 4.350 -0.004 0.000 0.194 246 E C 1.745 177.883 176.600 -0.769 0.000 0.989 246 E CA 0.994 57.191 56.400 -0.338 0.000 0.824 246 E CB 0.083 29.696 29.700 -0.145 0.000 0.756 246 E HN 0.402 8.762 8.360 -0.000 0.000 0.477 247 E N -0.811 119.133 120.200 -0.426 0.000 2.102 247 E HA 0.087 4.434 4.350 -0.004 0.000 0.190 247 E C 0.015 176.460 176.600 -0.257 0.000 0.971 247 E CA 0.451 56.633 56.400 -0.362 0.000 0.821 247 E CB 0.390 30.088 29.700 -0.003 0.000 0.777 247 E HN 0.079 8.439 8.360 -0.000 0.000 0.460 248 M N 1.349 120.864 119.600 -0.141 0.000 2.213 248 M HA 0.185 4.663 4.480 -0.004 0.000 0.286 248 M C -1.636 174.620 176.300 -0.073 0.000 1.008 248 M CA -0.677 54.548 55.300 -0.125 0.000 0.937 248 M CB 2.200 34.766 32.600 -0.056 0.000 1.600 248 M HN -0.161 8.129 8.290 -0.000 0.000 0.450 249 D N 2.209 122.537 120.400 -0.120 0.000 2.473 249 D HA 0.221 4.859 4.640 -0.004 0.000 0.226 249 D C 0.816 177.103 176.300 -0.022 0.000 1.089 249 D CA -0.036 53.944 54.000 -0.033 0.000 0.883 249 D CB 0.569 41.333 40.800 -0.060 0.000 1.029 249 D HN 0.588 8.958 8.370 -0.000 0.000 0.517 250 H N 1.449 120.543 119.070 0.040 0.000 2.521 250 H HA -0.029 4.525 4.556 -0.004 0.000 0.286 250 H C 1.323 176.671 175.328 0.034 0.000 1.034 250 H CA 0.494 56.581 56.048 0.064 0.000 1.278 250 H CB 0.546 30.360 29.762 0.087 0.000 1.386 250 H HN 0.296 8.576 8.280 -0.000 0.000 0.567 251 S N 0.232 116.004 115.700 0.120 0.000 2.453 251 S HA -0.067 4.401 4.470 -0.004 0.000 0.231 251 S C 2.405 177.023 174.600 0.030 0.000 1.005 251 S CA 0.411 58.647 58.200 0.061 0.000 0.949 251 S CB 0.009 63.233 63.200 0.040 0.000 0.774 251 S HN 0.136 8.446 8.310 -0.000 0.000 0.510 252 V N 0.032 119.954 119.914 0.013 0.000 2.302 252 V HA 0.106 4.224 4.120 -0.004 0.000 0.243 252 V C 0.981 177.077 176.094 0.005 0.000 1.036 252 V CA 1.027 63.323 62.300 -0.006 0.000 1.020 252 V CB -0.023 31.776 31.823 -0.040 0.000 0.657 252 V HN 0.427 8.617 8.190 -0.000 0.000 0.453 253 S N -0.449 115.254 115.700 0.004 0.000 2.562 253 S HA 0.467 4.935 4.470 -0.004 0.000 0.274 253 S C -3.089 171.532 174.600 0.035 0.000 1.160 253 S CA -1.029 57.174 58.200 0.006 0.000 0.933 253 S CB 2.141 65.361 63.200 0.033 0.000 1.100 253 S HN 0.096 8.406 8.310 -0.000 0.000 0.468 254 P HA 0.215 4.635 4.420 -0.000 0.000 0.275 254 P C 0.588 178.022 177.300 0.223 0.000 1.228 254 P CA -0.410 62.832 63.100 0.237 0.000 0.786 254 P CB 0.324 32.148 31.700 0.207 0.000 0.927 255 F N 2.162 122.241 119.950 0.215 0.000 2.095 255 F HA -0.081 4.444 4.527 -0.003 0.000 0.298 255 F C 1.296 177.191 175.800 0.158 0.000 1.104 255 F CA 1.410 59.507 58.000 0.161 0.000 1.232 255 F CB 0.053 39.192 39.000 0.232 0.000 0.987 255 F HN 0.097 8.397 8.300 -0.000 0.000 0.475 256 M N 1.840 121.697 119.600 0.428 0.000 2.725 256 M HA 0.120 4.598 4.480 -0.004 0.000 0.322 256 M C 1.122 177.615 176.300 0.322 0.000 1.393 256 M CA 0.411 55.913 55.300 0.336 0.000 1.452 256 M CB 0.241 32.908 32.600 0.111 0.000 1.242 256 M HN 0.307 8.597 8.290 -0.000 0.000 0.487 257 R N 2.243 122.872 120.500 0.215 0.000 2.041 257 R HA 0.050 4.388 4.340 -0.004 0.000 0.221 257 R C 1.264 177.602 176.300 0.064 0.000 1.196 257 R CA 1.201 57.341 56.100 0.066 0.000 0.969 257 R CB 0.581 30.828 30.300 -0.088 0.000 0.858 257 R HN 0.480 8.750 8.270 -0.000 0.000 0.444 258 K N -2.354 117.985 120.400 -0.102 0.000 2.493 258 K HA 0.205 4.523 4.320 -0.004 0.000 0.201 258 K C 0.329 176.412 176.600 -0.862 0.000 1.355 258 K CA 0.594 56.702 56.287 -0.298 0.000 0.953 258 K CB 1.341 33.694 32.500 -0.246 0.000 1.316 258 K HN 0.434 8.684 8.250 -0.000 0.000 0.522 259 G N 3.385 111.710 108.800 -0.792 0.000 2.221 259 G HA2 -0.245 3.713 3.960 -0.004 0.000 0.265 259 G HA3 -0.245 3.713 3.960 -0.004 0.000 0.265 259 G C 0.084 174.663 174.900 -0.535 0.000 1.041 259 G CA 0.886 45.399 45.100 -0.979 0.000 0.807 259 G HN 0.430 8.720 8.290 -0.000 0.000 0.502 260 I N -3.213 117.201 120.570 -0.259 0.000 3.133 260 I HA 0.911 5.079 4.170 -0.004 0.000 0.311 260 I C 0.083 176.252 176.117 0.085 0.000 1.072 260 I CA -1.140 60.103 61.300 -0.095 0.000 1.015 260 I CB 2.235 40.146 38.000 -0.148 0.000 1.233 260 I HN 0.123 8.333 8.210 -0.000 0.000 0.473 261 S N 1.345 117.120 115.700 0.125 0.000 2.451 261 S HA 0.678 5.146 4.470 -0.004 0.000 0.301 261 S C 0.462 175.092 174.600 0.050 0.000 1.116 261 S CA 0.395 58.688 58.200 0.155 0.000 1.093 261 S CB 0.641 63.983 63.200 0.237 0.000 1.017 261 S HN 1.606 9.916 8.310 -0.000 0.000 0.482 262 G N 4.242 113.077 108.800 0.058 0.000 2.168 262 G HA2 -0.192 3.766 3.960 -0.004 0.000 0.197 262 G HA3 -0.192 3.766 3.960 -0.004 0.000 0.197 262 G C 0.386 175.082 174.900 -0.340 0.000 0.997 262 G CA 0.312 45.333 45.100 -0.131 0.000 0.658 262 G HN 0.711 9.001 8.290 -0.000 0.000 0.513 263 D N 0.330 120.633 120.400 -0.163 0.000 2.309 263 D HA -0.070 4.568 4.640 -0.004 0.000 0.212 263 D C 2.309 178.513 176.300 -0.161 0.000 0.968 263 D CA 1.539 55.430 54.000 -0.183 0.000 0.882 263 D CB -0.281 40.444 40.800 -0.124 0.000 0.918 263 D HN 0.712 9.082 8.370 -0.000 0.000 0.503 264 W N 1.133 122.358 121.300 -0.124 0.000 2.331 264 W HA -0.194 4.464 4.660 -0.004 0.000 0.291 264 W C 1.231 177.711 176.519 -0.065 0.000 1.214 264 W CA 0.571 57.875 57.345 -0.069 0.000 1.228 264 W CB -0.819 28.481 29.460 -0.267 0.000 1.135 264 W HN -0.015 8.165 8.180 -0.000 0.000 0.537 265 K N 1.022 120.817 120.400 -1.009 0.000 2.209 265 K HA -0.154 4.164 4.320 -0.004 0.000 0.204 265 K C 1.570 177.934 176.600 -0.394 0.000 1.048 265 K CA 1.928 57.652 56.287 -0.938 0.000 0.940 265 K CB -0.391 31.454 32.500 -1.091 0.000 0.729 265 K HN 0.327 8.577 8.250 -0.000 0.000 0.451 266 N N 0.245 118.761 118.700 -0.308 0.000 2.457 266 N HA -0.132 4.606 4.740 -0.004 0.000 0.180 266 N C 1.744 177.138 175.510 -0.193 0.000 1.050 266 N CA 0.499 53.420 53.050 -0.216 0.000 0.906 266 N CB 0.175 38.541 38.487 -0.201 0.000 0.968 266 N HN 0.108 8.488 8.380 -0.000 0.000 0.445 267 Q N -0.392 119.293 119.800 -0.192 0.000 2.462 267 Q HA 0.235 4.573 4.340 -0.004 0.000 0.224 267 Q C -0.584 175.204 176.000 -0.353 0.000 0.911 267 Q CA 0.267 55.805 55.803 -0.442 0.000 0.925 267 Q CB 0.350 28.649 28.738 -0.732 0.000 1.063 267 Q HN 0.089 8.359 8.270 -0.000 0.000 0.572 268 F N 1.920 121.813 119.950 -0.095 0.000 2.456 268 F HA 0.209 4.734 4.527 -0.004 0.000 0.358 268 F C 0.861 176.745 175.800 0.139 0.000 1.095 268 F CA -0.126 57.991 58.000 0.196 0.000 1.216 268 F CB 0.792 39.995 39.000 0.338 0.000 1.125 268 F HN -0.024 8.276 8.300 -0.000 0.000 0.549 269 T N -0.047 114.705 114.554 0.331 0.000 2.802 269 T HA 0.154 4.501 4.350 -0.004 0.000 0.305 269 T C 1.248 176.141 174.700 0.323 0.000 1.053 269 T CA -0.888 61.357 62.100 0.243 0.000 1.058 269 T CB 0.963 69.941 68.868 0.182 0.000 0.988 269 T HN 0.338 8.578 8.240 -0.000 0.000 0.539 270 V N 2.025 122.081 119.914 0.236 0.000 2.332 270 V HA -0.157 3.961 4.120 -0.004 0.000 0.248 270 V C 3.080 179.355 176.094 0.302 0.000 1.055 270 V CA 2.335 64.804 62.300 0.281 0.000 1.038 270 V CB -1.688 30.245 31.823 0.183 0.000 0.651 270 V HN 1.091 9.281 8.190 -0.000 0.000 0.450 271 A N -0.895 122.053 122.820 0.214 0.000 1.902 271 A HA -0.290 4.028 4.320 -0.004 0.000 0.217 271 A C 2.181 179.890 177.584 0.209 0.000 1.181 271 A CA 1.964 54.102 52.037 0.170 0.000 0.623 271 A CB -0.486 18.584 19.000 0.117 0.000 0.818 271 A HN 0.617 8.767 8.150 -0.000 0.000 0.443 272 Q N -1.996 117.971 119.800 0.278 0.000 2.084 272 Q HA -0.207 4.131 4.340 -0.004 0.000 0.202 272 Q C 2.010 178.331 176.000 0.536 0.000 0.978 272 Q CA 1.833 57.844 55.803 0.348 0.000 0.844 272 Q CB -0.391 28.548 28.738 0.336 0.000 0.898 272 Q HN 0.854 9.124 8.270 -0.000 0.000 0.426 273 Y N 1.768 122.335 120.300 0.445 0.000 2.114 273 Y HA -0.235 4.313 4.550 -0.004 0.000 0.284 273 Y C 1.748 177.740 175.900 0.152 0.000 1.143 273 Y CA 1.871 60.107 58.100 0.227 0.000 1.135 273 Y CB -0.135 38.431 38.460 0.178 0.000 0.980 273 Y HN 0.070 8.350 8.280 -0.000 0.000 0.499 274 E N 0.210 120.356 120.200 -0.091 0.000 2.077 274 E HA -0.242 4.106 4.350 -0.004 0.000 0.193 274 E C 2.226 178.764 176.600 -0.103 0.000 0.989 274 E CA 1.416 57.684 56.400 -0.220 0.000 0.800 274 E CB -0.214 29.461 29.700 -0.041 0.000 0.746 274 E HN 0.452 8.812 8.360 -0.000 0.000 0.452 275 K N 0.468 120.886 120.400 0.029 0.000 2.057 275 K HA -0.173 4.145 4.320 -0.004 0.000 0.207 275 K C 2.003 178.641 176.600 0.064 0.000 1.049 275 K CA 1.043 57.357 56.287 0.044 0.000 0.931 275 K CB -0.176 32.372 32.500 0.079 0.000 0.714 275 K HN 0.047 8.297 8.250 -0.000 0.000 0.440 276 F N 2.129 122.084 119.950 0.009 0.000 2.134 276 F HA -0.176 4.349 4.527 -0.004 0.000 0.299 276 F C 2.134 177.911 175.800 -0.039 0.000 1.097 276 F CA 1.451 59.480 58.000 0.048 0.000 1.264 276 F CB 0.105 39.199 39.000 0.157 0.000 1.001 276 F HN 0.082 8.382 8.300 -0.000 0.000 0.479 277 E N 0.567 120.756 120.200 -0.018 0.000 2.072 277 E HA -0.202 4.146 4.350 -0.004 0.000 0.191 277 E C 2.136 178.690 176.600 -0.076 0.000 0.985 277 E CA 1.455 57.777 56.400 -0.130 0.000 0.801 277 E CB -0.507 28.972 29.700 -0.369 0.000 0.750 277 E HN 0.603 8.963 8.360 -0.000 0.000 0.452 278 E N 0.552 120.696 120.200 -0.094 0.000 2.077 278 E HA -0.207 4.141 4.350 -0.004 0.000 0.193 278 E C 1.843 178.392 176.600 -0.085 0.000 0.989 278 E CA 1.369 57.725 56.400 -0.073 0.000 0.800 278 E CB -0.097 29.563 29.700 -0.067 0.000 0.746 278 E HN 0.209 8.569 8.360 -0.000 0.000 0.452 279 D N -0.331 119.990 120.400 -0.131 0.000 2.117 279 D HA -0.201 4.437 4.640 -0.004 0.000 0.198 279 D C 1.840 177.996 176.300 -0.239 0.000 0.982 279 D CA 0.860 54.736 54.000 -0.206 0.000 0.828 279 D CB -0.119 40.522 40.800 -0.266 0.000 0.967 279 D HN 0.171 8.541 8.370 -0.000 0.000 0.464 280 Y N 0.352 120.445 120.300 -0.345 0.000 2.128 280 Y HA -0.217 4.331 4.550 -0.004 0.000 0.284 280 Y C 2.175 178.019 175.900 -0.093 0.000 1.154 280 Y CA 1.558 59.529 58.100 -0.215 0.000 1.149 280 Y CB -0.404 37.954 38.460 -0.170 0.000 0.976 280 Y HN -0.096 8.184 8.280 -0.000 0.000 0.505 281 V N 0.925 120.917 119.914 0.130 0.000 2.282 281 V HA -0.380 3.738 4.120 -0.004 0.000 0.249 281 V C 2.229 178.295 176.094 -0.047 0.000 1.057 281 V CA 2.467 64.810 62.300 0.071 0.000 1.032 281 V CB -0.618 31.239 31.823 0.057 0.000 0.645 281 V HN 0.399 8.589 8.190 -0.000 0.000 0.447 282 K N -0.117 120.229 120.400 -0.090 0.000 2.057 282 K HA -0.195 4.123 4.320 -0.004 0.000 0.207 282 K C 2.182 178.693 176.600 -0.148 0.000 1.049 282 K CA 1.512 57.733 56.287 -0.110 0.000 0.931 282 K CB -0.220 32.206 32.500 -0.123 0.000 0.714 282 K HN 0.433 8.683 8.250 -0.000 0.000 0.440 283 K N -0.432 119.828 120.400 -0.233 0.000 2.228 283 K HA 0.068 4.386 4.320 -0.004 0.000 0.202 283 K C 1.680 178.170 176.600 -0.183 0.000 1.051 283 K CA 0.751 56.882 56.287 -0.259 0.000 0.960 283 K CB 0.262 32.474 32.500 -0.479 0.000 0.743 283 K HN 0.076 8.326 8.250 -0.000 0.000 0.458 284 M N -0.254 119.220 119.600 -0.209 0.000 2.338 284 M HA 0.092 4.570 4.480 -0.004 0.000 0.276 284 M C 1.116 177.385 176.300 -0.052 0.000 1.057 284 M CA 0.590 55.793 55.300 -0.162 0.000 1.079 284 M CB 0.422 32.794 32.600 -0.379 0.000 1.547 284 M HN 0.008 8.298 8.290 -0.000 0.000 0.549 285 E N 1.232 121.412 120.200 -0.034 0.000 2.265 285 E HA -0.164 4.184 4.350 -0.004 0.000 0.196 285 E C 0.624 177.229 176.600 0.009 0.000 0.996 285 E CA 1.032 57.437 56.400 0.008 0.000 0.832 285 E CB 0.142 29.846 29.700 0.008 0.000 0.756 285 E HN 0.473 8.833 8.360 -0.000 0.000 0.491 286 D N 0.004 120.402 120.400 -0.003 0.000 2.333 286 D HA -0.019 4.619 4.640 -0.004 0.000 0.208 286 D C 0.803 177.119 176.300 0.026 0.000 0.984 286 D CA 0.249 54.253 54.000 0.008 0.000 0.873 286 D CB 0.192 40.990 40.800 -0.002 0.000 0.935 286 D HN -0.096 8.274 8.370 -0.000 0.000 0.521 287 S N 0.036 115.751 115.700 0.025 0.000 2.584 287 S HA 0.144 4.612 4.470 -0.004 0.000 0.273 287 S C 1.474 176.098 174.600 0.039 0.000 1.311 287 S CA -0.353 57.874 58.200 0.046 0.000 1.034 287 S CB 1.137 64.346 63.200 0.015 0.000 0.939 287 S HN 0.207 8.517 8.310 -0.000 0.000 0.513 288 T N 2.966 117.586 114.554 0.110 0.000 3.148 288 T HA 0.117 4.464 4.350 -0.004 0.000 0.253 288 T C 0.669 175.305 174.700 -0.106 0.000 1.134 288 T CA -0.197 61.969 62.100 0.110 0.000 1.051 288 T CB -0.311 68.721 68.868 0.274 0.000 0.959 288 T HN 0.378 8.618 8.240 -0.000 0.000 0.525 289 L N 2.353 123.304 121.223 -0.454 0.000 2.525 289 L HA 0.316 4.654 4.340 -0.004 0.000 0.278 289 L C -0.180 176.487 176.870 -0.338 0.000 1.218 289 L CA 0.562 54.904 54.840 -0.830 0.000 0.878 289 L CB 0.028 41.641 42.059 -0.744 0.000 1.127 289 L HN 0.100 8.330 8.230 -0.000 0.000 0.492 290 K N 5.347 125.487 120.400 -0.433 0.000 2.482 290 K HA 0.456 4.774 4.320 -0.004 0.000 0.251 290 K C -1.314 175.048 176.600 -0.396 0.000 0.936 290 K CA -0.328 55.831 56.287 -0.212 0.000 0.791 290 K CB 1.830 34.230 32.500 -0.167 0.000 1.213 290 K HN 0.303 8.553 8.250 -0.000 0.000 0.428 291 F N 0.853 120.807 119.950 0.006 0.000 2.561 291 F HA 0.524 5.049 4.527 -0.004 0.000 0.321 291 F C 0.686 176.480 175.800 -0.011 0.000 1.065 291 F CA -0.877 57.142 58.000 0.032 0.000 0.934 291 F CB 1.768 40.909 39.000 0.235 0.000 1.215 291 F HN 0.101 8.401 8.300 -0.000 0.000 0.471 292 R N 0.632 121.258 120.500 0.210 0.000 2.532 292 R HA 0.651 4.989 4.340 -0.004 0.000 0.295 292 R C -0.542 175.855 176.300 0.162 0.000 0.968 292 R CA -0.719 55.463 56.100 0.136 0.000 0.916 292 R CB 2.013 32.366 30.300 0.088 0.000 1.124 292 R HN 0.816 9.086 8.270 -0.000 0.000 0.463 293 S N 0.000 115.763 115.700 0.104 0.000 2.498 293 S HA 0.000 4.468 4.470 -0.004 0.000 0.327 293 S CA 0.000 58.263 58.200 0.105 0.000 1.107 293 S CB 0.000 63.112 63.200 -0.147 0.000 0.593 293 S HN 0.000 8.310 8.310 -0.000 0.000 0.517