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 1eq0_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 4.238 4.350 -0.187 0.000 0.228 1 T C 0.000 174.533 174.700 -0.279 0.000 1.109 1 T CA 0.000 61.968 62.100 -0.220 0.000 1.349 1 T CB 0.000 68.678 68.868 -0.316 0.000 0.612 2 V N 1.112 120.785 119.914 -0.402 0.000 2.839 2 V HA 0.112 4.173 4.120 -0.393 -0.177 0.284 2 V C -2.791 172.986 176.094 -0.529 0.000 1.397 2 V CA -0.259 61.778 62.300 -0.439 0.000 0.938 2 V CB 2.572 34.143 31.823 -0.420 0.000 1.112 2 V HN 0.278 8.178 8.190 -0.484 0.000 0.443 3 A N 8.174 130.720 122.820 -0.457 0.000 2.288 3 A HA 0.530 4.769 4.320 -0.254 -0.071 0.320 3 A C -2.268 175.166 177.584 -0.250 0.000 1.217 3 A CA -1.774 50.087 52.037 -0.293 0.000 0.840 3 A CB 2.511 21.444 19.000 -0.112 0.000 1.179 3 A HN 0.536 8.452 8.150 -0.390 0.000 0.504 4 Y N 2.837 123.133 120.300 -0.007 0.000 2.539 4 Y HA 0.089 4.856 4.550 -0.012 -0.223 0.352 4 Y C -0.625 175.292 175.900 0.030 0.000 1.004 4 Y CA 0.125 58.231 58.100 0.012 0.000 1.278 4 Y CB -1.066 37.416 38.460 0.037 0.000 1.136 4 Y HN 0.370 8.709 8.280 0.099 0.000 0.528 5 I N 2.806 123.456 120.570 0.134 0.000 2.676 5 I HA 0.384 4.766 4.170 0.083 -0.162 0.309 5 I C -1.186 175.007 176.117 0.127 0.000 0.990 5 I CA -1.644 59.715 61.300 0.099 0.000 1.168 5 I CB 3.451 41.484 38.000 0.056 0.000 1.343 5 I HN -0.372 7.799 8.210 0.090 0.093 0.482 6 A N 0.973 123.866 122.820 0.122 0.000 2.350 6 A HA 0.910 5.464 4.320 0.147 -0.146 0.318 6 A C -1.752 175.897 177.584 0.107 0.000 1.132 6 A CA -2.498 49.623 52.037 0.140 0.000 0.811 6 A CB 3.599 22.711 19.000 0.186 0.000 1.313 6 A HN -0.118 8.091 8.150 0.098 0.000 0.454 7 I N -1.510 119.122 120.570 0.103 0.000 2.512 7 I HA 0.602 5.037 4.170 0.043 -0.239 0.287 7 I C -0.858 175.247 176.117 -0.020 0.000 1.069 7 I CA -1.237 60.101 61.300 0.064 0.000 1.056 7 I CB 3.605 41.685 38.000 0.133 0.000 1.229 7 I HN 0.018 8.302 8.210 0.124 0.000 0.429 8 G N 5.477 114.213 108.800 -0.107 0.000 2.737 8 G HA2 0.451 4.476 3.960 -0.343 0.000 0.290 8 G HA3 0.451 4.198 3.960 -0.356 0.000 0.290 8 G C -2.623 172.111 174.900 -0.277 0.000 1.482 8 G CA -0.652 44.276 45.100 -0.285 0.000 1.017 8 G HN -0.137 8.113 8.290 -0.067 0.000 0.529 9 S N 3.068 118.568 115.700 -0.334 0.000 2.500 9 S HA 0.468 5.061 4.470 -0.185 -0.234 0.301 9 S C -0.697 173.747 174.600 -0.260 0.000 1.092 9 S CA -2.649 55.395 58.200 -0.260 0.000 1.030 9 S CB 1.542 64.583 63.200 -0.266 0.000 1.031 9 S HN -0.506 7.564 8.310 -0.400 0.000 0.483 10 N N 5.729 124.341 118.700 -0.147 0.000 2.320 10 N HA 0.180 4.880 4.740 -0.067 0.000 0.237 10 N C -1.073 174.383 175.510 -0.089 0.000 1.129 10 N CA -0.519 52.484 53.050 -0.079 0.000 0.854 10 N CB -0.288 38.196 38.487 -0.005 0.000 1.083 10 N HN 0.400 8.712 8.380 -0.114 0.000 0.504 11 L N -1.483 119.654 121.223 -0.142 0.000 2.298 11 L HA 0.373 4.674 4.340 -0.064 0.000 0.268 11 L C -1.090 175.701 176.870 -0.131 0.000 1.010 11 L CA -1.038 53.739 54.840 -0.105 0.000 0.812 11 L CB 1.763 43.770 42.059 -0.085 0.000 1.331 11 L HN -0.693 7.324 8.230 -0.197 0.095 0.450 12 A N -0.818 121.990 122.820 -0.021 0.000 2.749 12 A HA 0.309 4.685 4.320 0.092 0.000 0.299 12 A C -0.838 176.866 177.584 0.200 0.000 1.105 12 A CA -0.483 51.622 52.037 0.113 0.000 0.987 12 A CB 0.260 19.343 19.000 0.139 0.000 1.180 12 A HN 0.136 8.281 8.150 -0.007 0.000 0.528 13 S N 0.281 116.060 115.700 0.132 0.000 2.608 13 S HA 0.434 4.976 4.470 0.120 0.000 0.291 13 S C -1.903 172.822 174.600 0.207 0.000 1.146 13 S CA -3.614 54.660 58.200 0.125 0.000 1.043 13 S CB 0.644 63.866 63.200 0.038 0.000 1.037 13 S HN -0.510 7.763 8.310 0.041 0.062 0.520 14 P HA -0.081 4.454 4.420 0.192 0.000 0.252 14 P C -1.441 175.922 177.300 0.105 0.000 1.635 14 P CA 0.269 63.451 63.100 0.137 0.000 1.206 14 P CB -1.037 30.692 31.700 0.050 0.000 1.911 15 L N -2.931 118.364 121.223 0.120 0.000 3.976 15 L HA -0.522 3.685 4.340 -0.221 0.000 0.418 15 L C 0.774 177.612 176.870 -0.054 0.000 1.177 15 L CA 0.828 55.625 54.840 -0.072 0.000 0.968 15 L CB -1.968 40.049 42.059 -0.070 0.000 1.933 15 L HN 0.379 8.754 8.230 0.293 0.031 0.976 16 E N -2.026 118.163 120.200 -0.018 0.000 2.152 16 E HA -0.308 4.042 4.350 -0.001 0.000 0.192 16 E C 1.565 178.148 176.600 -0.028 0.000 0.983 16 E CA 2.973 59.365 56.400 -0.012 0.000 0.818 16 E CB -0.173 29.526 29.700 -0.002 0.000 0.758 16 E HN 0.079 8.403 8.360 0.010 0.042 0.467 17 Q N -2.255 117.508 119.800 -0.062 0.000 2.250 17 Q HA -0.109 4.217 4.340 -0.025 0.000 0.200 17 Q C 1.652 177.602 176.000 -0.082 0.000 0.941 17 Q CA 2.225 57.990 55.803 -0.063 0.000 0.872 17 Q CB 0.023 28.709 28.738 -0.086 0.000 0.965 17 Q HN 0.291 8.493 8.270 -0.081 0.019 0.480 18 V N -1.014 118.807 119.914 -0.155 0.000 2.548 18 V HA -0.436 3.609 4.120 -0.124 0.000 0.249 18 V C 1.439 177.502 176.094 -0.051 0.000 1.055 18 V CA 3.954 66.151 62.300 -0.172 0.000 1.065 18 V CB -0.171 31.367 31.823 -0.475 0.000 0.681 18 V HN 0.054 8.128 8.190 -0.193 0.000 0.462 19 N N 0.107 118.787 118.700 -0.034 0.000 2.223 19 N HA -0.320 4.457 4.740 0.062 0.000 0.185 19 N C 1.517 177.048 175.510 0.035 0.000 1.016 19 N CA 3.577 56.643 53.050 0.027 0.000 0.863 19 N CB -0.620 37.883 38.487 0.027 0.000 0.983 19 N HN -0.132 8.189 8.380 -0.065 0.019 0.429 20 A N -0.702 122.133 122.820 0.024 0.000 1.877 20 A HA -0.203 4.142 4.320 0.042 0.000 0.216 20 A C 1.724 179.331 177.584 0.039 0.000 1.186 20 A CA 3.058 55.117 52.037 0.036 0.000 0.620 20 A CB -0.809 18.215 19.000 0.040 0.000 0.822 20 A HN -0.571 7.557 8.150 0.006 0.026 0.443 21 A N -1.992 120.848 122.820 0.034 0.000 1.970 21 A HA -0.132 4.213 4.320 0.042 0.000 0.216 21 A C 2.080 179.698 177.584 0.056 0.000 1.170 21 A CA 2.247 54.310 52.037 0.043 0.000 0.645 21 A CB -0.834 18.189 19.000 0.038 0.000 0.816 21 A HN -0.608 7.555 8.150 0.021 0.000 0.447 22 L N -1.439 119.828 121.223 0.073 0.000 2.013 22 L HA -0.465 3.937 4.340 0.104 0.000 0.212 22 L C 2.139 179.047 176.870 0.063 0.000 1.073 22 L CA 3.411 58.307 54.840 0.094 0.000 0.753 22 L CB -0.129 42.013 42.059 0.138 0.000 0.890 22 L HN 0.539 8.703 8.230 0.065 0.106 0.432 23 K N -2.108 118.325 120.400 0.054 0.000 2.243 23 K HA -0.207 4.137 4.320 0.040 0.000 0.201 23 K C 0.876 177.497 176.600 0.035 0.000 1.051 23 K CA 2.200 58.513 56.287 0.043 0.000 0.970 23 K CB 0.157 32.682 32.500 0.041 0.000 0.755 23 K HN -0.571 7.713 8.250 0.056 0.000 0.465 24 A N -1.527 121.316 122.820 0.038 0.000 1.970 24 A HA -0.083 4.257 4.320 0.033 0.000 0.216 24 A C 2.044 179.644 177.584 0.028 0.000 1.170 24 A CA 2.319 54.377 52.037 0.036 0.000 0.645 24 A CB -0.040 18.985 19.000 0.042 0.000 0.816 24 A HN -0.650 7.402 8.150 0.043 0.124 0.447 25 L N -3.996 117.244 121.223 0.028 0.000 2.131 25 L HA -0.327 4.023 4.340 0.016 0.000 0.210 25 L C 2.348 179.214 176.870 -0.007 0.000 1.092 25 L CA 2.511 57.360 54.840 0.015 0.000 0.759 25 L CB -0.168 41.904 42.059 0.022 0.000 0.903 25 L HN 0.600 8.742 8.230 0.037 0.109 0.435 26 G N -4.594 104.208 108.800 0.004 0.000 2.880 26 G HA2 -0.021 3.933 3.960 -0.010 0.000 0.209 26 G HA3 -0.021 3.947 3.960 0.014 0.000 0.209 26 G C -0.305 174.602 174.900 0.011 0.000 1.157 26 G CA 0.489 45.592 45.100 0.005 0.000 0.779 26 G HN -0.428 7.756 8.290 0.016 0.115 0.539 27 D N 0.240 120.644 120.400 0.006 0.000 2.350 27 D HA 0.069 4.714 4.640 0.008 0.000 0.213 27 D C -0.108 176.177 176.300 -0.025 0.000 1.031 27 D CA -0.536 53.467 54.000 0.004 0.000 0.861 27 D CB 0.244 41.055 40.800 0.018 0.000 0.926 27 D HN -0.636 7.516 8.370 0.009 0.223 0.520 28 I N 1.358 121.890 120.570 -0.063 0.000 2.581 28 I HA 0.071 4.111 4.170 -0.217 0.000 0.285 28 I C -1.791 174.213 176.117 -0.189 0.000 1.129 28 I CA -1.899 59.287 61.300 -0.190 0.000 1.397 28 I CB -0.598 37.266 38.000 -0.227 0.000 1.399 28 I HN -0.709 7.414 8.210 -0.043 0.061 0.537 29 P HA -0.093 4.294 4.420 -0.055 0.000 0.265 29 P C -0.584 176.656 177.300 -0.099 0.000 1.187 29 P CA 0.712 63.750 63.100 -0.103 0.000 0.766 29 P CB 0.400 32.073 31.700 -0.044 0.000 0.820 30 E N -2.631 117.546 120.200 -0.040 0.000 3.547 30 E HA -0.423 3.923 4.350 -0.008 0.000 0.309 30 E C -1.157 175.441 176.600 -0.004 0.000 0.855 30 E CA 1.414 57.804 56.400 -0.016 0.000 1.122 30 E CB -0.816 28.881 29.700 -0.004 0.000 1.569 30 E HN 0.704 9.046 8.360 -0.029 0.000 0.429 31 S N -2.982 112.723 115.700 0.009 0.000 2.752 31 S HA 0.694 5.414 4.470 0.101 -0.190 0.284 31 S C -2.418 172.282 174.600 0.166 0.000 1.189 31 S CA -1.298 56.934 58.200 0.053 0.000 0.835 31 S CB 3.435 66.607 63.200 -0.048 0.000 1.192 31 S HN -0.735 7.526 8.310 -0.007 0.044 0.506 32 H N -6.519 112.506 119.070 -0.074 0.000 3.093 32 H HA 0.184 4.709 4.556 -0.051 0.000 0.312 32 H C -0.594 174.699 175.328 -0.058 0.000 1.213 32 H CA -0.770 55.244 56.048 -0.058 0.000 1.366 32 H CB 1.477 31.210 29.762 -0.049 0.000 1.998 32 H HN -0.185 8.044 8.280 -0.086 0.000 0.522 33 I N 1.887 122.405 120.570 -0.087 0.000 3.085 33 I HA -0.313 3.779 4.170 -0.131 0.000 0.302 33 I C -0.253 175.718 176.117 -0.242 0.000 1.234 33 I CA 2.188 63.411 61.300 -0.129 0.000 1.396 33 I CB -0.413 37.566 38.000 -0.036 0.000 1.385 33 I HN 0.633 8.855 8.210 0.020 0.000 0.533 34 L N 6.441 127.496 121.223 -0.280 0.000 2.577 34 L HA 0.027 4.200 4.340 -0.278 0.000 0.225 34 L C -0.952 175.826 176.870 -0.154 0.000 1.053 34 L CA 1.023 55.697 54.840 -0.276 0.000 0.866 34 L CB 1.265 43.116 42.059 -0.348 0.000 1.132 34 L HN 0.298 8.384 8.230 -0.240 0.000 0.486 35 T N -2.183 112.295 114.554 -0.127 0.000 2.977 35 T HA 0.150 4.458 4.350 -0.071 0.000 0.345 35 T C -2.428 172.236 174.700 -0.059 0.000 1.562 35 T CA -0.671 61.382 62.100 -0.078 0.000 1.090 35 T CB 2.963 71.798 68.868 -0.055 0.000 1.383 35 T HN -0.711 7.443 8.240 -0.143 0.000 0.484 36 V N 2.128 122.004 119.914 -0.062 0.000 2.624 36 V HA 0.346 4.595 4.120 -0.044 -0.156 0.294 36 V C -0.608 175.406 176.094 -0.133 0.000 1.077 36 V CA -1.316 60.937 62.300 -0.079 0.000 0.905 36 V CB 2.072 33.842 31.823 -0.090 0.000 1.025 36 V HN 0.176 8.326 8.190 -0.066 0.000 0.440 37 S N 5.966 121.596 115.700 -0.117 0.000 2.647 37 S HA -0.156 4.238 4.470 -0.127 0.000 0.251 37 S C -0.171 174.223 174.600 -0.343 0.000 1.320 37 S CA 1.198 59.301 58.200 -0.162 0.000 0.968 37 S CB 0.545 63.693 63.200 -0.088 0.000 1.005 37 S HN 0.095 8.265 8.310 -0.058 0.105 0.576 38 S N 0.563 116.028 115.700 -0.392 0.000 2.672 38 S HA 0.053 4.136 4.470 -0.645 0.000 0.276 38 S C -1.454 172.800 174.600 -0.576 0.000 1.207 38 S CA -0.087 57.798 58.200 -0.525 0.000 1.002 38 S CB 1.003 63.991 63.200 -0.353 0.000 0.998 38 S HN -0.409 7.921 8.310 -0.327 -0.216 0.542 39 F N -0.310 119.561 119.950 -0.132 0.000 2.420 39 F HA -0.021 4.460 4.527 -0.076 0.000 0.352 39 F C 0.110 175.908 175.800 -0.003 0.000 1.108 39 F CA -0.453 57.521 58.000 -0.043 0.000 1.162 39 F CB -0.308 38.763 39.000 0.118 0.000 1.118 39 F HN 0.172 8.240 8.300 -0.387 0.000 0.510 40 Y N 3.453 123.935 120.300 0.303 0.000 2.518 40 Y HA 0.552 5.366 4.550 0.210 -0.138 0.332 40 Y C 0.040 176.080 175.900 0.233 0.000 1.276 40 Y CA -1.400 56.834 58.100 0.224 0.000 1.418 40 Y CB 3.107 41.667 38.460 0.168 0.000 1.527 40 Y HN 0.120 8.573 8.280 0.289 0.000 0.549 41 R N -0.062 120.685 120.500 0.412 0.000 3.101 41 R HA 0.237 4.829 4.340 0.208 -0.127 0.242 41 R C -1.489 174.932 176.300 0.202 0.000 1.831 41 R CA -0.547 55.734 56.100 0.303 0.000 1.321 41 R CB 1.580 32.166 30.300 0.476 0.000 1.512 41 R HN 0.306 8.816 8.270 0.400 0.000 0.568 42 T N 8.353 123.011 114.554 0.174 0.000 2.919 42 T HA 0.296 4.707 4.350 0.102 0.000 0.302 42 T C -1.323 173.430 174.700 0.089 0.000 1.031 42 T CA -1.157 61.022 62.100 0.131 0.000 1.127 42 T CB -0.590 68.383 68.868 0.175 0.000 0.952 42 T HN -0.334 8.024 8.240 0.196 0.000 0.540 43 P HA -0.027 4.425 4.420 0.053 0.000 0.271 43 P C -1.082 176.215 177.300 -0.005 0.000 1.238 43 P CA -0.728 62.396 63.100 0.040 0.000 0.794 43 P CB -0.909 30.813 31.700 0.037 0.000 0.959 44 P HA -0.192 4.296 4.420 -0.078 -0.115 0.300 44 P C -0.652 176.603 177.300 -0.075 0.000 1.294 44 P CA -0.542 62.527 63.100 -0.051 0.000 0.757 44 P CB 0.519 32.205 31.700 -0.023 0.000 1.377 45 L N -0.887 120.287 121.223 -0.081 0.000 2.341 45 L HA -0.031 4.256 4.340 -0.088 0.000 0.214 45 L C 0.928 177.779 176.870 -0.032 0.000 1.115 45 L CA 0.705 55.501 54.840 -0.074 0.000 0.820 45 L CB -0.212 41.798 42.059 -0.082 0.000 0.944 45 L HN 0.189 8.458 8.230 -0.075 -0.085 0.452 46 G N -0.906 107.880 108.800 -0.022 0.000 3.700 46 G HA2 -0.266 3.693 3.960 -0.003 0.000 0.211 46 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.211 46 G C -0.927 173.968 174.900 -0.007 0.000 1.777 46 G CA -0.074 45.021 45.100 -0.008 0.000 1.460 46 G HN -0.022 8.223 8.290 -0.027 0.029 0.615 47 P HA 0.019 4.437 4.420 -0.003 0.000 0.215 47 P C 0.325 177.620 177.300 -0.008 0.000 1.157 47 P CA 0.597 63.694 63.100 -0.006 0.000 0.856 47 P CB 0.205 31.902 31.700 -0.005 0.000 0.786 48 Q N -0.643 119.149 119.800 -0.014 0.000 1.608 48 Q HA -0.004 4.330 4.340 -0.010 0.000 0.634 48 Q C -0.779 175.212 176.000 -0.016 0.000 0.919 48 Q CA 1.304 57.098 55.803 -0.015 0.000 0.853 48 Q CB 0.404 29.129 28.738 -0.021 0.000 1.994 48 Q HN -0.128 8.131 8.270 -0.018 0.000 0.325 49 D N -3.391 116.994 120.400 -0.024 0.000 2.540 49 D HA 0.064 4.693 4.640 -0.019 0.000 0.194 49 D C -2.076 174.205 176.300 -0.032 0.000 1.291 49 D CA 0.142 54.129 54.000 -0.021 0.000 1.158 49 D CB 0.391 41.185 40.800 -0.010 0.000 1.474 49 D HN -0.374 7.977 8.370 -0.032 0.000 0.578 50 Q N 1.662 121.431 119.800 -0.053 0.000 2.235 50 Q HA 0.384 4.683 4.340 -0.068 0.000 0.250 50 Q C -1.351 174.623 176.000 -0.043 0.000 0.909 50 Q CA -1.932 53.824 55.803 -0.078 0.000 0.910 50 Q CB 0.801 29.437 28.738 -0.170 0.000 1.223 50 Q HN 0.080 8.386 8.270 -0.054 -0.068 0.432 51 P HA 0.044 4.467 4.420 0.006 0.000 0.286 51 P C -1.248 176.049 177.300 -0.006 0.000 1.293 51 P CA -0.865 62.231 63.100 -0.007 0.000 0.770 51 P CB 0.664 32.354 31.700 -0.017 0.000 1.206 52 D N -0.697 119.673 120.400 -0.050 0.000 2.422 52 D HA -0.258 4.394 4.640 0.021 0.000 0.263 52 D C -0.501 175.687 176.300 -0.186 0.000 1.334 52 D CA 1.099 55.030 54.000 -0.116 0.000 1.105 52 D CB -1.397 39.209 40.800 -0.323 0.000 1.107 52 D HN 0.133 8.474 8.370 -0.048 0.000 0.522 53 Y N 4.459 124.630 120.300 -0.214 0.000 2.643 53 Y HA -0.257 4.135 4.550 -0.263 0.000 0.353 53 Y C -0.708 175.073 175.900 -0.198 0.000 1.257 53 Y CA -0.113 57.844 58.100 -0.238 0.000 1.779 53 Y CB -1.316 36.980 38.460 -0.272 0.000 1.495 53 Y HN -0.085 8.263 8.280 0.114 0.000 0.466 54 L N 7.145 128.150 121.223 -0.364 0.000 2.454 54 L HA 0.251 4.785 4.340 -0.126 -0.269 0.284 54 L C -1.679 175.089 176.870 -0.171 0.000 1.139 54 L CA -0.538 54.122 54.840 -0.300 0.000 0.911 54 L CB -0.005 41.697 42.059 -0.595 0.000 1.262 54 L HN -0.242 7.703 8.230 -0.456 0.012 0.453 55 N N 6.650 125.374 118.700 0.039 0.000 2.425 55 N HA 0.720 5.686 4.740 0.003 -0.225 0.268 55 N C -1.346 174.317 175.510 0.255 0.000 0.991 55 N CA -0.218 52.908 53.050 0.127 0.000 0.931 55 N CB 2.946 41.585 38.487 0.254 0.000 1.130 55 N HN -0.431 8.041 8.380 0.154 0.000 0.493 56 A N 4.196 127.142 122.820 0.210 0.000 2.485 56 A HA 0.663 5.148 4.320 0.082 -0.116 0.292 56 A C -2.739 174.927 177.584 0.137 0.000 1.147 56 A CA -1.946 50.187 52.037 0.160 0.000 0.750 56 A CB 4.195 23.341 19.000 0.243 0.000 1.331 56 A HN 0.411 8.660 8.150 0.164 0.000 0.419 57 A N -1.931 120.935 122.820 0.077 0.000 2.354 57 A HA 0.919 5.428 4.320 0.142 -0.104 0.321 57 A C -1.759 175.869 177.584 0.073 0.000 1.125 57 A CA -1.958 50.144 52.037 0.107 0.000 0.799 57 A CB 2.811 21.886 19.000 0.124 0.000 1.293 57 A HN 0.306 8.453 8.150 -0.004 0.000 0.452 58 V N -1.790 118.191 119.914 0.112 0.000 3.114 58 V HA 0.414 4.679 4.120 0.026 -0.129 0.308 58 V C -1.879 174.258 176.094 0.072 0.000 1.168 58 V CA -1.445 60.893 62.300 0.063 0.000 1.015 58 V CB 5.143 36.989 31.823 0.039 0.000 1.050 58 V HN 0.492 8.778 8.190 0.160 0.000 0.433 59 A N 2.684 125.475 122.820 -0.048 0.000 3.317 59 A HA 0.415 4.638 4.320 -0.351 -0.114 0.307 59 A C -1.851 175.575 177.584 -0.264 0.000 1.003 59 A CA -1.201 50.703 52.037 -0.222 0.000 0.882 59 A CB 0.486 19.371 19.000 -0.192 0.000 1.136 59 A HN 0.753 8.789 8.150 -0.058 0.079 0.488 60 L N 0.474 121.564 121.223 -0.222 0.000 2.473 60 L HA -0.035 4.164 4.340 -0.234 0.000 0.268 60 L C -0.684 176.017 176.870 -0.283 0.000 1.215 60 L CA 0.269 54.976 54.840 -0.222 0.000 0.823 60 L CB 2.229 44.204 42.059 -0.139 0.000 1.099 60 L HN -0.632 7.494 8.230 -0.172 0.000 0.483 61 E N 4.317 124.345 120.200 -0.286 0.000 2.427 61 E HA 0.125 4.431 4.350 -0.277 -0.123 0.259 61 E C -1.270 175.239 176.600 -0.151 0.000 1.267 61 E CA -1.726 54.527 56.400 -0.245 0.000 1.425 61 E CB -0.576 28.973 29.700 -0.252 0.000 1.482 61 E HN 0.000 8.181 8.360 -0.299 0.000 0.460 62 T N 3.016 117.460 114.554 -0.183 0.000 2.729 62 T HA -0.017 4.436 4.350 -0.071 -0.146 0.296 62 T C -0.446 174.175 174.700 -0.132 0.000 0.928 62 T CA 0.299 62.331 62.100 -0.113 0.000 1.045 62 T CB -0.174 68.661 68.868 -0.056 0.000 0.902 62 T HN -0.393 7.648 8.240 -0.236 0.057 0.500 63 S N 8.709 124.388 115.700 -0.036 0.000 2.557 63 S HA 0.185 4.625 4.470 -0.050 0.000 0.223 63 S C 0.713 175.397 174.600 0.141 0.000 0.969 63 S CA -0.547 57.661 58.200 0.014 0.000 0.927 63 S CB 0.498 63.701 63.200 0.004 0.000 0.806 63 S HN 0.079 8.377 8.310 -0.019 0.000 0.489 64 L N 0.411 121.732 121.223 0.163 0.000 2.420 64 L HA -0.120 4.303 4.340 0.138 0.000 0.198 64 L C -0.593 176.429 176.870 0.255 0.000 1.165 64 L CA 0.131 55.082 54.840 0.186 0.000 0.863 64 L CB 0.455 42.615 42.059 0.169 0.000 1.371 64 L HN -0.906 7.313 8.230 0.114 0.080 0.536 65 A N -1.772 121.138 122.820 0.150 0.000 2.276 65 A HA 0.296 4.612 4.320 -0.008 0.000 0.300 65 A C -1.063 176.476 177.584 -0.075 0.000 1.235 65 A CA -2.502 49.548 52.037 0.022 0.000 0.867 65 A CB -0.334 18.669 19.000 0.005 0.000 1.137 65 A HN 0.071 8.312 8.150 0.152 0.000 0.527 66 P HA -0.412 3.706 4.420 -0.504 0.000 0.221 66 P C 0.731 177.937 177.300 -0.156 0.000 1.153 66 P CA 2.825 65.624 63.100 -0.502 0.000 0.858 66 P CB -0.024 31.237 31.700 -0.733 0.000 0.783 67 E N -5.403 114.729 120.200 -0.112 0.000 2.112 67 E HA -0.256 4.066 4.350 -0.047 0.000 0.190 67 E C 2.110 178.700 176.600 -0.016 0.000 0.979 67 E CA 2.977 59.345 56.400 -0.053 0.000 0.814 67 E CB -1.218 28.450 29.700 -0.054 0.000 0.762 67 E HN 0.568 8.809 8.360 -0.139 0.036 0.460 68 E N 0.801 121.007 120.200 0.011 0.000 2.046 68 E HA -0.238 4.067 4.350 -0.075 0.000 0.190 68 E C 2.409 179.124 176.600 0.192 0.000 0.982 68 E CA 2.234 58.651 56.400 0.029 0.000 0.800 68 E CB -0.181 29.574 29.700 0.092 0.000 0.756 68 E HN 0.165 8.424 8.360 0.006 0.104 0.449 69 L N 0.538 121.921 121.223 0.266 0.000 2.187 69 L HA -0.193 4.396 4.340 0.416 0.000 0.213 69 L C 1.571 178.556 176.870 0.192 0.000 1.100 69 L CA 3.125 58.142 54.840 0.295 0.000 0.765 69 L CB -0.126 42.097 42.059 0.273 0.000 0.904 69 L HN 0.638 8.860 8.230 0.184 0.119 0.437 70 L N -1.451 119.835 121.223 0.105 0.000 2.095 70 L HA -0.128 4.254 4.340 0.070 0.000 0.204 70 L C 1.549 178.448 176.870 0.047 0.000 1.080 70 L CA 2.810 57.688 54.840 0.063 0.000 0.759 70 L CB -0.214 41.863 42.059 0.029 0.000 0.914 70 L HN -0.564 7.568 8.230 0.079 0.146 0.439 71 N N -0.198 118.505 118.700 0.004 0.000 2.188 71 N HA -0.287 4.574 4.740 -0.028 -0.138 0.184 71 N C 2.572 178.050 175.510 -0.053 0.000 1.018 71 N CA 3.137 56.154 53.050 -0.054 0.000 0.858 71 N CB -0.200 38.209 38.487 -0.130 0.000 0.989 71 N HN -0.095 8.095 8.380 0.001 0.191 0.426 72 H N 0.604 119.687 119.070 0.021 0.000 2.253 72 H HA -0.311 4.255 4.556 0.018 0.000 0.296 72 H C 2.172 177.513 175.328 0.022 0.000 1.074 72 H CA 4.857 60.919 56.048 0.022 0.000 1.263 72 H CB 0.195 29.975 29.762 0.030 0.000 1.363 72 H HN 0.736 8.907 8.280 0.036 0.130 0.489 73 T N -1.238 113.418 114.554 0.170 0.000 2.665 73 T HA -0.530 3.876 4.350 0.094 0.000 0.268 73 T C 2.278 177.019 174.700 0.069 0.000 1.035 73 T CA 4.213 66.373 62.100 0.099 0.000 1.151 73 T CB -0.245 68.671 68.868 0.081 0.000 0.862 73 T HN -0.451 7.908 8.240 0.199 0.000 0.438 74 Q N 0.811 120.646 119.800 0.057 0.000 2.135 74 Q HA -0.441 4.238 4.340 0.042 -0.313 0.204 74 Q C 2.247 178.263 176.000 0.026 0.000 0.981 74 Q CA 3.280 59.106 55.803 0.038 0.000 0.856 74 Q CB -0.270 28.486 28.738 0.029 0.000 0.902 74 Q HN -0.027 8.281 8.270 0.064 0.000 0.425 75 R N 0.173 120.687 120.500 0.022 0.000 2.075 75 R HA -0.243 4.094 4.340 -0.005 0.000 0.232 75 R C 2.353 178.665 176.300 0.021 0.000 1.126 75 R CA 3.203 59.308 56.100 0.009 0.000 0.963 75 R CB -0.147 30.151 30.300 -0.004 0.000 0.858 75 R HN 0.199 8.259 8.270 0.030 0.228 0.435 76 I N -1.061 119.535 120.570 0.042 0.000 2.394 76 I HA -0.449 3.741 4.170 0.033 0.000 0.251 76 I C 1.580 177.717 176.117 0.032 0.000 1.136 76 I CA 3.547 64.871 61.300 0.040 0.000 1.425 76 I CB -0.376 37.656 38.000 0.053 0.000 1.079 76 I HN 0.044 8.202 8.210 0.058 0.087 0.425 77 E N -1.672 118.547 120.200 0.032 0.000 2.072 77 E HA -0.368 4.000 4.350 0.030 0.000 0.191 77 E C 1.720 178.334 176.600 0.024 0.000 0.985 77 E CA 3.274 59.692 56.400 0.029 0.000 0.801 77 E CB 0.165 29.884 29.700 0.033 0.000 0.750 77 E HN -0.355 7.911 8.360 0.037 0.115 0.452 78 L N -4.693 116.538 121.223 0.014 0.000 2.221 78 L HA -0.162 4.183 4.340 0.008 0.000 0.202 78 L C 1.845 178.701 176.870 -0.023 0.000 1.074 78 L CA 1.496 56.336 54.840 -0.000 0.000 0.795 78 L CB 0.360 42.416 42.059 -0.005 0.000 0.960 78 L HN -0.599 7.639 8.230 0.014 0.000 0.458 79 Q N -1.118 118.668 119.800 -0.023 0.000 1.941 79 Q HA -0.244 4.052 4.340 -0.073 0.000 0.201 79 Q C 1.320 177.289 176.000 -0.051 0.000 0.982 79 Q CA 2.275 58.050 55.803 -0.046 0.000 0.839 79 Q CB 0.502 29.224 28.738 -0.027 0.000 0.904 79 Q HN 0.193 8.331 8.270 -0.009 0.127 0.427 80 Q N -2.132 117.663 119.800 -0.008 0.000 2.206 80 Q HA 0.119 4.463 4.340 0.006 0.000 0.265 80 Q C -0.487 175.544 176.000 0.051 0.000 0.866 80 Q CA -0.284 55.530 55.803 0.019 0.000 1.073 80 Q CB 0.286 29.041 28.738 0.029 0.000 1.165 80 Q HN -0.616 7.657 8.270 0.004 0.000 0.465 81 G N -1.557 107.270 108.800 0.046 0.000 4.144 81 G HA2 0.203 4.197 3.960 0.057 0.000 0.297 81 G HA3 0.203 4.273 3.960 0.039 -0.087 0.297 81 G C -1.935 173.012 174.900 0.078 0.000 1.090 81 G CA -0.557 44.576 45.100 0.055 0.000 0.870 81 G HN 0.163 8.387 8.290 0.025 0.081 0.532 82 R N -1.225 119.357 120.500 0.138 0.000 2.670 82 R HA 0.605 5.149 4.340 0.143 -0.118 0.289 82 R C -1.123 175.397 176.300 0.366 0.000 0.965 82 R CA -1.353 54.873 56.100 0.210 0.000 0.899 82 R CB 3.625 34.038 30.300 0.189 0.000 1.173 82 R HN -0.583 7.714 8.270 0.148 0.062 0.456 83 V N 1.294 121.353 119.914 0.241 0.000 2.775 83 V HA 0.067 4.218 4.120 0.052 0.000 0.299 83 V C -0.347 175.723 176.094 -0.040 0.000 1.062 83 V CA -0.811 61.542 62.300 0.090 0.000 1.063 83 V CB 1.378 33.200 31.823 -0.001 0.000 0.994 83 V HN -0.323 7.973 8.190 0.176 0.000 0.483 84 R N 4.646 124.754 120.500 -0.653 0.000 2.540 84 R HA -0.016 3.117 4.340 -2.011 0.000 0.287 84 R C -1.146 174.719 176.300 -0.726 0.000 0.980 84 R CA -0.138 55.052 56.100 -1.516 0.000 0.966 84 R CB 1.074 30.100 30.300 -2.123 0.000 1.106 84 R HN 0.200 8.176 8.270 -0.490 0.000 0.480 85 K N 5.136 125.160 120.400 -0.627 0.000 2.896 85 K HA 0.035 4.195 4.320 -0.267 0.000 0.228 85 K C -1.414 175.069 176.600 -0.195 0.000 1.151 85 K CA -0.006 56.108 56.287 -0.289 0.000 1.035 85 K CB 0.601 33.013 32.500 -0.146 0.000 1.263 85 K HN 0.305 8.036 8.250 -0.865 0.000 0.574 86 A N 5.707 128.413 122.820 -0.190 0.000 5.471 86 A HA -0.311 3.964 4.320 -0.075 0.000 0.292 86 A C -1.060 176.515 177.584 -0.016 0.000 2.024 86 A CA 1.900 53.888 52.037 -0.083 0.000 0.716 86 A CB -1.216 17.759 19.000 -0.043 0.000 1.221 86 A HN 0.161 8.168 8.150 -0.239 0.000 0.364 87 E N 1.703 121.927 120.200 0.041 0.000 2.437 87 E HA -0.011 4.432 4.350 0.156 0.000 0.189 87 E C -0.380 176.307 176.600 0.146 0.000 1.054 87 E CA 0.006 56.470 56.400 0.107 0.000 0.874 87 E CB 0.057 29.800 29.700 0.071 0.000 1.011 87 E HN 0.410 8.783 8.360 0.021 0.000 0.474 88 R N -1.697 118.881 120.500 0.130 0.000 2.718 88 R HA 0.292 4.743 4.340 0.184 0.000 0.266 88 R C -1.083 175.323 176.300 0.177 0.000 1.776 88 R CA -1.210 54.980 56.100 0.149 0.000 1.567 88 R CB -0.816 29.531 30.300 0.078 0.000 1.336 88 R HN -0.544 7.671 8.270 0.065 0.094 0.619 89 W N 0.853 122.154 121.300 0.001 0.000 2.215 89 W HA -0.291 4.476 4.660 0.000 -0.106 0.355 89 W C 0.626 177.145 176.519 0.000 0.000 1.298 89 W CA 1.359 58.704 57.345 0.001 0.000 1.362 89 W CB 0.015 29.476 29.460 0.001 0.000 1.246 89 W HN -0.355 8.221 8.180 0.660 0.000 0.629 90 G N -0.054 108.880 108.800 0.224 0.000 2.568 90 G HA2 0.341 4.359 3.960 0.097 0.000 0.293 90 G HA3 0.341 4.348 3.960 0.077 0.000 0.293 90 G C -2.566 172.418 174.900 0.141 0.000 1.347 90 G CA -1.097 44.079 45.100 0.127 0.000 1.039 90 G HN 0.562 8.869 8.290 0.238 0.126 0.523 91 P HA 0.118 4.581 4.420 0.071 0.000 0.302 91 P C -1.458 175.887 177.300 0.074 0.000 1.301 91 P CA -0.409 62.733 63.100 0.071 0.000 0.745 91 P CB 1.341 33.070 31.700 0.048 0.000 1.331 92 R N -3.428 117.104 120.500 0.054 0.000 2.210 92 R HA 0.198 4.702 4.340 0.060 -0.128 0.338 92 R C 0.323 176.643 176.300 0.033 0.000 1.062 92 R CA 0.375 56.504 56.100 0.047 0.000 0.902 92 R CB -0.385 29.937 30.300 0.037 0.000 1.050 92 R HN 0.140 8.438 8.270 0.046 0.000 0.461 93 T N 0.545 115.115 114.554 0.027 0.000 3.023 93 T HA 0.058 4.405 4.350 -0.004 0.000 0.249 93 T C -0.114 174.572 174.700 -0.025 0.000 1.050 93 T CA 0.080 62.178 62.100 -0.003 0.000 1.088 93 T CB 0.828 69.688 68.868 -0.014 0.000 0.946 93 T HN 0.224 8.490 8.240 0.042 0.000 0.480 94 L N 2.714 123.933 121.223 -0.006 0.000 2.410 94 L HA 0.012 4.399 4.340 -0.041 -0.072 0.273 94 L C -1.183 175.684 176.870 -0.005 0.000 1.144 94 L CA 1.195 56.027 54.840 -0.013 0.000 0.863 94 L CB 0.891 42.956 42.059 0.010 0.000 1.140 94 L HN -0.818 7.422 8.230 0.016 0.000 0.463 95 D N 5.941 126.331 120.400 -0.017 0.000 2.498 95 D HA 0.266 4.920 4.640 0.023 0.000 0.247 95 D C -1.805 174.510 176.300 0.026 0.000 1.070 95 D CA -0.348 53.655 54.000 0.005 0.000 0.842 95 D CB 3.514 44.303 40.800 -0.017 0.000 1.361 95 D HN -0.246 8.101 8.370 -0.040 0.000 0.484 96 L N 0.806 122.058 121.223 0.048 0.000 2.595 96 L HA 0.380 5.028 4.340 0.062 -0.271 0.259 96 L C -2.030 174.873 176.870 0.055 0.000 1.033 96 L CA -0.532 54.342 54.840 0.056 0.000 0.901 96 L CB 2.601 44.691 42.059 0.052 0.000 1.151 96 L HN -0.457 8.066 8.230 0.052 -0.262 0.453 97 D N 1.664 122.099 120.400 0.059 0.000 2.192 97 D HA 0.184 4.819 4.640 -0.007 0.000 0.246 97 D C -0.640 175.565 176.300 -0.158 0.000 1.042 97 D CA -0.802 53.184 54.000 -0.023 0.000 0.847 97 D CB 2.638 43.481 40.800 0.072 0.000 1.186 97 D HN -0.233 8.192 8.370 0.092 0.000 0.461 98 I N 3.102 123.567 120.570 -0.176 0.000 2.573 98 I HA -0.225 3.936 4.170 -0.016 0.000 0.295 98 I C 0.178 176.135 176.117 -0.267 0.000 1.141 98 I CA 0.696 61.931 61.300 -0.108 0.000 1.364 98 I CB -1.544 36.468 38.000 0.020 0.000 1.447 98 I HN 0.539 8.677 8.210 -0.120 0.000 0.571 99 M N 4.357 123.875 119.600 -0.137 0.000 2.213 99 M HA -0.278 4.100 4.480 -0.170 0.000 0.263 99 M C -0.019 176.395 176.300 0.190 0.000 1.062 99 M CA 3.530 58.852 55.300 0.036 0.000 1.105 99 M CB 0.372 33.134 32.600 0.269 0.000 1.385 99 M HN 0.137 8.421 8.290 -0.011 0.000 0.417 100 L N -6.311 115.057 121.223 0.243 0.000 2.765 100 L HA 0.237 4.916 4.340 0.285 -0.169 0.263 100 L C -1.573 175.483 176.870 0.310 0.000 1.068 100 L CA -1.059 53.972 54.840 0.318 0.000 0.903 100 L CB 4.430 46.759 42.059 0.449 0.000 1.512 100 L HN -0.768 7.575 8.230 0.215 0.017 0.404 101 F N 1.925 121.947 119.950 0.119 0.000 2.872 101 F HA 0.199 4.735 4.527 0.015 0.000 0.365 101 F C -0.500 175.327 175.800 0.046 0.000 1.296 101 F CA -1.214 56.816 58.000 0.051 0.000 1.199 101 F CB 2.097 41.122 39.000 0.042 0.000 1.687 101 F HN 0.273 8.786 8.300 0.355 0.000 0.604 102 G N 8.909 117.618 108.800 -0.151 0.000 2.687 102 G HA2 -0.493 3.429 3.960 -0.172 0.000 0.303 102 G HA3 -0.493 3.360 3.960 -0.179 0.000 0.303 102 G C -1.374 173.562 174.900 0.061 0.000 1.209 102 G CA 1.396 46.425 45.100 -0.117 0.000 0.968 102 G HN 0.517 8.627 8.290 -0.191 0.065 0.549 103 N N 5.764 124.520 118.700 0.093 0.000 2.598 103 N HA 0.202 5.023 4.740 0.135 0.000 0.295 103 N C -1.606 173.987 175.510 0.137 0.000 1.729 103 N CA -0.127 52.992 53.050 0.115 0.000 0.877 103 N CB 1.003 39.533 38.487 0.072 0.000 1.405 103 N HN -0.143 8.291 8.380 0.091 0.000 0.491 104 E N -1.214 119.101 120.200 0.192 0.000 2.359 104 E HA 0.318 4.746 4.350 0.130 0.000 0.266 104 E C -2.312 174.382 176.600 0.157 0.000 0.920 104 E CA -2.022 54.482 56.400 0.173 0.000 0.788 104 E CB 4.374 34.200 29.700 0.209 0.000 1.279 104 E HN -0.635 7.867 8.360 0.237 0.000 0.438 105 V N -0.387 119.590 119.914 0.104 0.000 2.709 105 V HA 0.164 4.345 4.120 0.101 0.000 0.308 105 V C -1.338 174.782 176.094 0.044 0.000 1.062 105 V CA -0.449 61.901 62.300 0.083 0.000 0.901 105 V CB 2.035 33.902 31.823 0.074 0.000 1.003 105 V HN 0.330 8.573 8.190 0.088 0.000 0.425 106 I N 3.592 124.181 120.570 0.031 0.000 4.083 106 I HA 0.082 4.250 4.170 -0.004 0.000 0.240 106 I C -0.043 176.079 176.117 0.008 0.000 1.088 106 I CA -0.475 60.826 61.300 0.002 0.000 1.651 106 I CB 0.615 38.596 38.000 -0.032 0.000 1.573 106 I HN 0.053 8.292 8.210 0.048 0.000 0.451 107 N N -0.706 118.004 118.700 0.018 0.000 2.758 107 N HA -0.271 4.484 4.740 0.026 0.000 0.248 107 N C -1.218 174.284 175.510 -0.013 0.000 1.076 107 N CA 1.142 54.200 53.050 0.013 0.000 0.696 107 N CB -1.193 37.305 38.487 0.018 0.000 0.979 107 N HN 0.090 8.486 8.380 0.027 0.000 0.550 108 T N -4.718 109.823 114.554 -0.020 0.000 2.884 108 T HA 0.282 4.615 4.350 -0.028 0.000 0.277 108 T C 0.060 174.734 174.700 -0.043 0.000 0.976 108 T CA -1.086 60.995 62.100 -0.030 0.000 0.956 108 T CB 2.045 70.895 68.868 -0.031 0.000 1.113 108 T HN -0.292 7.835 8.240 -0.015 0.104 0.554 109 E N -0.975 119.201 120.200 -0.041 0.000 2.268 109 E HA -0.196 4.117 4.350 -0.061 0.000 0.195 109 E C 0.499 177.073 176.600 -0.044 0.000 0.995 109 E CA 2.016 58.388 56.400 -0.047 0.000 0.836 109 E CB -0.008 29.669 29.700 -0.038 0.000 0.763 109 E HN 0.171 8.510 8.360 -0.035 0.000 0.491 110 R N -5.246 115.233 120.500 -0.035 0.000 2.287 110 R HA 0.074 4.400 4.340 -0.024 0.000 0.197 110 R C -0.346 175.942 176.300 -0.021 0.000 0.900 110 R CA -0.498 55.586 56.100 -0.027 0.000 1.052 110 R CB 1.049 31.332 30.300 -0.028 0.000 1.117 110 R HN -0.216 7.996 8.270 -0.035 0.036 0.568 111 L N -0.885 120.322 121.223 -0.027 0.000 2.313 111 L HA 0.252 4.585 4.340 -0.012 0.000 0.268 111 L C -1.599 175.276 176.870 0.009 0.000 1.010 111 L CA -1.352 53.475 54.840 -0.021 0.000 0.814 111 L CB 2.401 44.425 42.059 -0.058 0.000 1.304 111 L HN -0.213 7.998 8.230 -0.032 0.000 0.441 112 T N -2.430 112.153 114.554 0.047 0.000 3.974 112 T HA 0.077 4.571 4.350 0.081 -0.095 0.208 112 T C -0.057 174.726 174.700 0.137 0.000 0.777 112 T CA -0.026 62.144 62.100 0.116 0.000 1.503 112 T CB 0.550 69.548 68.868 0.216 0.000 0.853 112 T HN -0.092 8.166 8.240 0.030 0.000 0.600 113 V N 3.375 123.342 119.914 0.089 0.000 2.231 113 V HA -0.279 3.906 4.120 0.108 0.000 0.248 113 V C -1.156 175.032 176.094 0.156 0.000 1.054 113 V CA 4.474 66.847 62.300 0.121 0.000 1.015 113 V CB -0.810 31.098 31.823 0.142 0.000 0.638 113 V HN 0.334 8.556 8.190 0.054 0.000 0.444 114 P HA -0.063 4.440 4.420 0.138 0.000 0.238 114 P C -1.613 175.759 177.300 0.120 0.000 1.679 114 P CA -0.448 62.718 63.100 0.111 0.000 1.080 114 P CB -2.230 29.503 31.700 0.056 0.000 1.961 115 H N 2.841 121.927 119.070 0.027 0.000 2.671 115 H HA -0.397 4.144 4.556 -0.024 0.000 0.236 115 H C 1.548 176.779 175.328 -0.162 0.000 0.624 115 H CA -0.373 55.635 56.048 -0.067 0.000 1.349 115 H CB -1.274 28.438 29.762 -0.085 0.000 1.417 115 H HN 0.497 8.843 8.280 0.209 0.060 0.445 116 Y N 2.351 122.715 120.300 0.107 0.000 2.405 116 Y HA -0.247 4.311 4.550 -0.041 -0.033 0.282 116 Y C -0.087 175.753 175.900 -0.100 0.000 1.182 116 Y CA 1.100 59.193 58.100 -0.011 0.000 1.312 116 Y CB -0.824 37.646 38.460 0.017 0.000 0.971 116 Y HN 0.234 8.823 8.280 0.516 0.000 0.560 117 D N -2.094 117.839 120.400 -0.777 0.000 2.670 117 D HA 0.284 4.711 4.640 -0.355 0.000 0.255 117 D C -0.956 174.963 176.300 -0.636 0.000 1.286 117 D CA -0.275 53.335 54.000 -0.650 0.000 0.830 117 D CB 0.569 40.922 40.800 -0.745 0.000 1.065 117 D HN -0.562 7.086 8.370 -1.094 0.065 0.486 118 M N -3.676 115.625 119.600 -0.498 0.000 2.538 118 M HA 0.329 4.574 4.480 -0.391 0.000 0.259 118 M C 0.265 176.396 176.300 -0.281 0.000 1.217 118 M CA 1.707 56.797 55.300 -0.350 0.000 1.131 118 M CB 2.337 34.858 32.600 -0.132 0.000 1.382 118 M HN -0.185 7.727 8.290 -0.406 0.134 0.520 119 K N -1.113 119.107 120.400 -0.300 0.000 2.596 119 K HA 0.016 4.212 4.320 -0.206 0.000 0.211 119 K C -0.895 175.614 176.600 -0.151 0.000 1.046 119 K CA 0.884 57.017 56.287 -0.255 0.000 1.202 119 K CB -0.710 31.575 32.500 -0.360 0.000 0.925 119 K HN -0.763 7.301 8.250 -0.310 0.000 0.486 120 N N -2.667 115.921 118.700 -0.187 0.000 2.330 120 N HA 0.064 4.821 4.740 0.029 0.000 0.249 120 N C -1.451 173.916 175.510 -0.238 0.000 1.413 120 N CA 0.217 53.207 53.050 -0.101 0.000 0.817 120 N CB 0.331 38.775 38.487 -0.072 0.000 1.362 120 N HN -0.057 8.046 8.380 -0.274 0.112 0.499 121 R N -1.388 118.779 120.500 -0.555 0.000 2.854 121 R HA 0.304 4.149 4.340 -0.825 0.000 0.271 121 R C -0.145 175.173 176.300 -1.636 0.000 0.994 121 R CA -1.229 54.278 56.100 -0.989 0.000 0.945 121 R CB 2.238 31.900 30.300 -1.063 0.000 1.194 121 R HN -0.828 7.149 8.270 -0.489 0.000 0.476 122 G N -1.038 106.775 108.800 -1.646 0.000 3.453 122 G HA2 0.266 3.212 3.960 -1.691 0.000 0.263 122 G HA3 0.266 3.657 3.960 -0.948 0.000 0.263 122 G C -1.418 173.322 174.900 -0.266 0.000 1.060 122 G CA -0.011 44.313 45.100 -1.294 0.000 0.793 122 G HN 0.305 7.812 8.290 -1.306 0.000 0.532 123 F N -7.986 111.896 119.950 -0.114 0.000 2.915 123 F HA 0.194 4.833 4.527 0.186 0.000 0.347 123 F C -1.757 174.113 175.800 0.116 0.000 1.104 123 F CA -2.336 55.724 58.000 0.101 0.000 1.126 123 F CB 0.208 39.310 39.000 0.170 0.000 1.145 123 F HN -0.707 6.808 8.300 -1.202 0.064 0.541 124 M N -0.573 118.997 119.600 -0.049 0.000 2.338 124 M HA 0.107 4.740 4.480 0.254 0.000 0.276 124 M C 0.354 176.684 176.300 0.050 0.000 1.057 124 M CA 0.942 56.283 55.300 0.069 0.000 1.079 124 M CB 1.182 33.736 32.600 -0.076 0.000 1.547 124 M HN -0.366 7.662 8.290 -0.437 0.000 0.549 125 L N -0.048 121.130 121.223 -0.075 0.000 2.202 125 L HA -0.069 4.295 4.340 0.040 0.000 0.205 125 L C 1.596 178.503 176.870 0.063 0.000 1.083 125 L CA 3.206 58.014 54.840 -0.053 0.000 0.790 125 L CB -0.308 41.618 42.059 -0.221 0.000 0.942 125 L HN -0.244 7.853 8.230 -0.221 0.000 0.452 126 W N -1.182 120.173 121.300 0.092 0.000 2.317 126 W HA -0.231 4.509 4.660 0.132 0.000 0.318 126 W C -1.111 175.675 176.519 0.445 0.000 1.227 126 W CA 4.514 61.967 57.345 0.181 0.000 1.269 126 W CB -2.695 26.729 29.460 -0.060 0.000 1.155 126 W HN -0.024 8.198 8.180 0.071 0.000 0.484 127 P HA -0.304 4.348 4.420 0.387 0.000 0.215 127 P C 1.403 178.871 177.300 0.280 0.000 1.157 127 P CA 2.783 66.153 63.100 0.450 0.000 0.874 127 P CB -0.397 31.502 31.700 0.330 0.000 0.790 128 L N -2.650 118.709 121.223 0.226 0.000 2.201 128 L HA -0.217 4.156 4.340 0.056 0.000 0.212 128 L C 1.037 177.954 176.870 0.078 0.000 1.105 128 L CA 2.226 57.117 54.840 0.084 0.000 0.775 128 L CB -0.405 41.653 42.059 -0.002 0.000 0.913 128 L HN -0.691 7.686 8.230 0.245 0.000 0.440 129 F N -0.444 119.550 119.950 0.073 0.000 2.502 129 F HA -0.274 4.303 4.527 -0.021 -0.063 0.298 129 F C 0.855 176.735 175.800 0.133 0.000 1.111 129 F CA 2.572 60.619 58.000 0.078 0.000 1.445 129 F CB 0.312 39.391 39.000 0.131 0.000 1.081 129 F HN -0.084 8.307 8.300 0.415 0.158 0.558 130 E N -1.456 118.909 120.200 0.276 0.000 2.478 130 E HA -0.155 4.315 4.350 0.202 0.000 0.194 130 E C 0.168 176.779 176.600 0.019 0.000 1.045 130 E CA 1.400 57.899 56.400 0.165 0.000 0.868 130 E CB 0.639 30.428 29.700 0.148 0.000 0.885 130 E HN -0.254 8.112 8.360 0.323 0.187 0.505 131 I N -8.145 112.414 120.570 -0.017 0.000 4.774 131 I HA 0.281 4.431 4.170 -0.033 0.000 0.330 131 I C -0.097 175.973 176.117 -0.077 0.000 1.287 131 I CA 0.056 61.340 61.300 -0.028 0.000 1.311 131 I CB 2.584 40.606 38.000 0.036 0.000 1.315 131 I HN -0.681 7.346 8.210 -0.008 0.178 0.459 132 A N 0.626 123.345 122.820 -0.169 0.000 3.234 132 A HA 0.536 4.730 4.320 -0.210 0.000 0.247 132 A C -2.487 174.870 177.584 -0.379 0.000 0.938 132 A CA -1.759 50.120 52.037 -0.263 0.000 1.039 132 A CB 0.046 18.820 19.000 -0.378 0.000 1.197 132 A HN 0.338 8.288 8.150 -0.154 0.108 0.498 133 P HA -0.208 3.264 4.420 -1.580 0.000 0.221 133 P C -0.878 176.076 177.300 -0.577 0.000 1.141 133 P CA 1.298 63.691 63.100 -1.178 0.000 0.794 133 P CB 0.313 31.075 31.700 -1.563 0.000 0.764 134 E N -4.124 115.858 120.200 -0.363 0.000 3.167 134 E HA 0.142 4.391 4.350 -0.169 0.000 0.210 134 E C -1.564 174.891 176.600 -0.242 0.000 1.004 134 E CA -1.579 54.687 56.400 -0.224 0.000 1.256 134 E CB -1.323 28.278 29.700 -0.164 0.000 1.193 134 E HN -0.019 8.051 8.360 -0.359 0.074 0.448 135 L N 2.869 123.880 121.223 -0.352 0.000 2.530 135 L HA -0.046 4.071 4.340 -0.372 0.000 0.273 135 L C -1.649 174.912 176.870 -0.515 0.000 1.141 135 L CA 0.608 55.154 54.840 -0.490 0.000 0.905 135 L CB 0.744 42.347 42.059 -0.759 0.000 1.202 135 L HN 0.276 8.174 8.230 -0.359 0.116 0.473 136 V N 9.120 128.853 119.914 -0.302 0.000 2.276 136 V HA -0.016 4.143 4.120 -0.147 -0.127 0.249 136 V C -0.258 175.767 176.094 -0.115 0.000 1.160 136 V CA -0.712 61.487 62.300 -0.168 0.000 1.042 136 V CB -1.651 30.135 31.823 -0.061 0.000 1.224 136 V HN 0.170 8.224 8.190 -0.227 0.000 0.496 137 F N 8.216 128.166 119.950 -0.001 0.000 2.646 137 F HA -0.174 4.368 4.527 0.025 0.000 0.363 137 F C 0.079 175.904 175.800 0.042 0.000 1.143 137 F CA 0.512 58.525 58.000 0.021 0.000 1.356 137 F CB -1.064 37.947 39.000 0.018 0.000 1.055 137 F HN 0.295 8.350 8.300 -0.285 0.074 0.606 138 P HA -0.311 4.195 4.420 0.144 0.000 0.216 138 P C 0.406 177.792 177.300 0.143 0.000 1.167 138 P CA 2.473 65.680 63.100 0.178 0.000 0.914 138 P CB 0.142 31.951 31.700 0.183 0.000 0.793 139 D N -4.486 116.001 120.400 0.145 0.000 2.221 139 D HA -0.216 4.472 4.640 0.080 0.000 0.204 139 D C 0.850 177.210 176.300 0.100 0.000 0.982 139 D CA 1.085 55.145 54.000 0.099 0.000 0.857 139 D CB 0.052 40.894 40.800 0.070 0.000 0.934 139 D HN -0.007 8.463 8.370 0.167 0.000 0.475 140 G N -2.193 106.692 108.800 0.140 0.000 2.705 140 G HA2 -0.267 3.758 3.960 0.097 0.000 0.193 140 G HA3 -0.267 3.745 3.960 0.086 0.000 0.193 140 G C -0.885 174.104 174.900 0.148 0.000 1.015 140 G CA -0.418 44.751 45.100 0.115 0.000 0.743 140 G HN -0.366 7.873 8.290 0.197 0.169 0.476 141 E N 0.758 121.084 120.200 0.210 0.000 2.485 141 E HA -0.269 4.294 4.350 0.173 -0.110 0.266 141 E C -1.053 175.763 176.600 0.359 0.000 1.137 141 E CA 1.075 57.641 56.400 0.277 0.000 1.010 141 E CB 0.405 30.257 29.700 0.254 0.000 0.986 141 E HN -0.191 8.280 8.360 0.186 0.000 0.460 142 M N -1.222 118.547 119.600 0.282 0.000 2.259 142 M HA 0.375 5.044 4.480 -0.087 -0.241 0.304 142 M C 0.455 176.836 176.300 0.134 0.000 1.019 142 M CA -1.147 54.206 55.300 0.087 0.000 0.922 142 M CB 2.926 35.550 32.600 0.040 0.000 1.600 142 M HN -0.338 8.329 8.290 0.251 -0.227 0.433 143 L N 5.249 126.398 121.223 -0.123 0.000 2.051 143 L HA -0.422 4.152 4.340 0.390 0.000 0.214 143 L C 0.741 177.685 176.870 0.123 0.000 1.076 143 L CA 4.694 59.562 54.840 0.045 0.000 0.758 143 L CB 0.196 42.141 42.059 -0.191 0.000 0.890 143 L HN 0.665 8.581 8.230 -0.523 0.000 0.433 144 R N -2.410 118.161 120.500 0.119 0.000 2.073 144 R HA -0.459 4.037 4.340 0.260 0.000 0.229 144 R C 1.821 178.200 176.300 0.131 0.000 1.120 144 R CA 3.337 59.552 56.100 0.192 0.000 0.967 144 R CB -0.618 29.798 30.300 0.194 0.000 0.862 144 R HN 0.138 8.418 8.270 0.033 0.011 0.436 145 Q N -0.993 118.879 119.800 0.120 0.000 2.308 145 Q HA -0.240 4.182 4.340 0.137 0.000 0.209 145 Q C 1.994 178.052 176.000 0.098 0.000 0.985 145 Q CA 3.249 59.122 55.803 0.117 0.000 0.881 145 Q CB -0.643 28.157 28.738 0.104 0.000 0.917 145 Q HN 0.201 8.451 8.270 0.100 0.079 0.443 146 I N -2.071 118.562 120.570 0.104 0.000 2.731 146 I HA -0.287 3.915 4.170 0.054 0.000 0.260 146 I C 1.729 177.872 176.117 0.042 0.000 1.138 146 I CA 2.731 64.076 61.300 0.075 0.000 1.461 146 I CB 0.241 38.303 38.000 0.103 0.000 1.128 146 I HN -0.259 7.857 8.210 0.127 0.170 0.438 147 L N -0.769 120.445 121.223 -0.015 0.000 2.217 147 L HA -0.441 3.852 4.340 -0.077 0.000 0.211 147 L C 2.098 178.939 176.870 -0.050 0.000 1.107 147 L CA 3.241 57.994 54.840 -0.146 0.000 0.783 147 L CB -0.283 41.475 42.059 -0.502 0.000 0.919 147 L HN -0.422 7.723 8.230 0.004 0.087 0.442 148 H N 0.069 119.082 119.070 -0.095 0.000 2.482 148 H HA -0.096 4.417 4.556 -0.071 0.000 0.286 148 H C 1.143 176.435 175.328 -0.059 0.000 1.017 148 H CA 2.501 58.512 56.048 -0.062 0.000 1.322 148 H CB 0.728 30.478 29.762 -0.019 0.000 1.426 148 H HN 0.488 8.817 8.280 0.119 0.022 0.546 149 T N -0.961 113.549 114.554 -0.074 0.000 3.043 149 T HA -0.125 4.087 4.350 -0.229 0.000 0.263 149 T C 0.796 175.400 174.700 -0.161 0.000 1.094 149 T CA 2.642 64.654 62.100 -0.146 0.000 1.127 149 T CB 0.379 69.200 68.868 -0.080 0.000 0.905 149 T HN -0.251 7.898 8.240 0.006 0.095 0.490 150 R N -1.910 118.485 120.500 -0.174 0.000 2.287 150 R HA 0.201 4.345 4.340 -0.327 0.000 0.197 150 R C -0.435 175.642 176.300 -0.372 0.000 0.900 150 R CA -0.816 55.072 56.100 -0.352 0.000 1.052 150 R CB 1.032 31.004 30.300 -0.547 0.000 1.117 150 R HN -0.696 7.475 8.270 -0.111 0.033 0.568 151 A N -0.055 122.652 122.820 -0.189 0.000 2.739 151 A HA -0.324 4.107 4.320 0.005 -0.108 0.296 151 A C -0.923 176.634 177.584 -0.045 0.000 1.488 151 A CA 0.457 52.451 52.037 -0.072 0.000 0.746 151 A CB -2.377 16.592 19.000 -0.051 0.000 1.047 151 A HN -0.112 7.844 8.150 -0.125 0.120 0.477 152 F N -1.146 118.799 119.950 -0.009 0.000 2.608 152 F HA -0.201 4.364 4.527 0.063 0.000 0.380 152 F C 0.537 176.534 175.800 0.329 0.000 1.083 152 F CA 0.761 58.813 58.000 0.087 0.000 1.266 152 F CB 0.599 39.585 39.000 -0.022 0.000 1.076 152 F HN -0.705 7.605 8.300 0.017 0.000 0.574 153 D N 5.581 126.240 120.400 0.433 0.000 2.487 153 D HA -0.163 4.602 4.640 0.209 0.000 0.243 153 D C 0.110 176.543 176.300 0.221 0.000 1.154 153 D CA 1.364 55.527 54.000 0.272 0.000 0.876 153 D CB 0.922 41.812 40.800 0.151 0.000 1.161 153 D HN 0.095 8.688 8.370 0.373 0.000 0.478 154 K N 1.916 122.220 120.400 -0.160 0.000 2.380 154 K HA -0.168 2.769 4.320 -2.304 0.000 0.267 154 K C -0.762 175.408 176.600 -0.716 0.000 0.990 154 K CA 0.453 56.099 56.287 -1.069 0.000 0.946 154 K CB 0.633 32.479 32.500 -1.090 0.000 0.937 154 K HN 0.147 8.359 8.250 -0.064 0.000 0.491 155 L N 1.578 122.201 121.223 -1.001 0.000 2.334 155 L HA 0.106 4.272 4.340 -0.290 0.000 0.273 155 L C -0.609 176.023 176.870 -0.396 0.000 1.013 155 L CA -1.202 53.301 54.840 -0.561 0.000 0.816 155 L CB 1.267 43.035 42.059 -0.485 0.000 1.278 155 L HN -0.147 7.094 8.230 -1.647 0.000 0.431 156 N N 1.087 119.758 118.700 -0.049 0.000 2.483 156 N HA 0.033 4.816 4.740 0.072 0.000 0.269 156 N C -1.303 174.419 175.510 0.353 0.000 1.209 156 N CA -0.241 52.878 53.050 0.114 0.000 0.969 156 N CB 0.980 39.520 38.487 0.087 0.000 1.173 156 N HN 0.224 8.591 8.380 -0.023 0.000 0.475 157 K N 0.367 120.952 120.400 0.309 0.000 2.339 157 K HA -0.126 4.598 4.320 0.373 -0.179 0.286 157 K C 0.168 176.951 176.600 0.306 0.000 1.050 157 K CA -0.150 56.316 56.287 0.298 0.000 0.956 157 K CB 0.224 32.813 32.500 0.150 0.000 0.990 157 K HN -0.064 8.310 8.250 0.207 0.000 0.475 158 W N 0.000 121.399 121.300 0.164 0.000 2.388 158 W HA 0.000 4.723 4.660 0.105 0.000 0.303 158 W CA 0.000 57.420 57.345 0.125 0.000 1.226 158 W CB 0.000 29.537 29.460 0.128 0.000 1.126 158 W HN 0.000 8.349 8.180 0.536 0.153 0.535