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 1wlo_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVPPKLKQAL ELFKSLPKEL RSQVLLEYAA KVPPPPPGVE LERVHECQTP DATA SEQUENCE FFVHADVEGG KVRLYFHVPD EAPTVKAFAG LLREGLEGES PEAVLEVPPG DATA SEQUENCE FYRGYGLEEF FTPLRLRGLE AALLRLQAQV RKALTS 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 M HA 0.000 4.484 4.480 0.007 0.000 0.227 1 M C 0.000 176.294 176.300 -0.009 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.606 32.600 0.011 0.000 1.302 2 V N 3.742 123.654 119.914 -0.002 0.000 2.843 2 V HA -0.077 3.994 4.120 -0.081 0.000 0.305 2 V C -1.142 174.936 176.094 -0.026 0.000 1.120 2 V CA -0.588 61.693 62.300 -0.031 0.000 1.254 2 V CB -0.579 31.251 31.823 0.011 0.000 0.901 2 V HN 0.268 8.471 8.190 0.020 0.000 0.503 3 P HA 0.334 4.736 4.420 -0.031 0.000 0.277 3 P C -1.372 175.911 177.300 -0.027 0.000 1.271 3 P CA -1.827 61.245 63.100 -0.046 0.000 0.795 3 P CB -0.739 30.919 31.700 -0.069 0.000 1.101 4 P HA -0.097 4.330 4.420 0.012 0.000 0.215 4 P C 1.594 178.882 177.300 -0.019 0.000 1.160 4 P CA 2.676 65.773 63.100 -0.005 0.000 0.869 4 P CB 0.108 31.806 31.700 -0.003 0.000 0.782 5 K N -2.694 117.683 120.400 -0.038 0.000 2.163 5 K HA -0.350 3.944 4.320 -0.043 0.000 0.210 5 K C 2.158 178.720 176.600 -0.063 0.000 1.048 5 K CA 3.363 59.618 56.287 -0.054 0.000 0.928 5 K CB -1.122 31.337 32.500 -0.070 0.000 0.716 5 K HN 0.061 8.288 8.250 -0.040 0.000 0.459 6 L N -0.462 120.717 121.223 -0.074 0.000 2.062 6 L HA -0.017 4.425 4.340 -0.088 -0.155 0.202 6 L C 2.036 178.880 176.870 -0.044 0.000 1.079 6 L CA 2.703 57.490 54.840 -0.088 0.000 0.755 6 L CB -0.330 41.628 42.059 -0.169 0.000 0.913 6 L HN -0.285 7.891 8.230 -0.075 0.009 0.445 7 K N 0.016 120.417 120.400 0.001 0.000 2.189 7 K HA -0.445 3.961 4.320 0.144 0.000 0.207 7 K C 2.687 179.315 176.600 0.047 0.000 1.046 7 K CA 3.157 59.492 56.287 0.080 0.000 0.928 7 K CB -0.517 32.051 32.500 0.112 0.000 0.720 7 K HN 0.117 8.259 8.250 -0.008 0.103 0.458 8 Q N -1.882 117.931 119.800 0.021 0.000 2.046 8 Q HA -0.265 4.106 4.340 0.052 0.000 0.200 8 Q C 2.132 178.148 176.000 0.026 0.000 0.975 8 Q CA 3.672 59.493 55.803 0.029 0.000 0.836 8 Q CB -0.058 28.691 28.738 0.017 0.000 0.896 8 Q HN 0.842 8.979 8.270 0.006 0.136 0.428 9 A N 0.567 123.393 122.820 0.010 0.000 1.883 9 A HA -0.280 4.121 4.320 0.134 0.000 0.217 9 A C 2.426 180.005 177.584 -0.008 0.000 1.186 9 A CA 3.023 55.100 52.037 0.067 0.000 0.624 9 A CB -0.923 18.132 19.000 0.092 0.000 0.822 9 A HN -0.053 8.010 8.150 -0.011 0.080 0.444 10 L N -2.300 118.792 121.223 -0.219 0.000 1.961 10 L HA -0.539 3.495 4.340 -0.510 0.000 0.210 10 L C 2.269 178.906 176.870 -0.389 0.000 1.072 10 L CA 3.369 57.804 54.840 -0.674 0.000 0.749 10 L CB -0.574 40.517 42.059 -1.614 0.000 0.889 10 L HN 0.289 8.404 8.230 -0.191 0.000 0.432 11 E N -1.268 118.858 120.200 -0.122 0.000 2.086 11 E HA -0.477 4.131 4.350 0.431 0.000 0.200 11 E C 2.779 179.469 176.600 0.150 0.000 1.012 11 E CA 3.153 59.675 56.400 0.202 0.000 0.812 11 E CB -0.098 29.724 29.700 0.203 0.000 0.743 11 E HN 0.234 8.409 8.360 -0.108 0.120 0.453 12 L N -0.969 120.318 121.223 0.107 0.000 2.083 12 L HA -0.302 4.093 4.340 0.092 0.000 0.209 12 L C 1.464 178.414 176.870 0.133 0.000 1.083 12 L CA 2.754 57.660 54.840 0.110 0.000 0.752 12 L CB -0.392 41.731 42.059 0.106 0.000 0.899 12 L HN 0.340 8.498 8.230 0.076 0.119 0.433 13 F N 0.868 120.797 119.950 -0.035 0.000 2.031 13 F HA -0.524 3.963 4.527 -0.068 0.000 0.295 13 F C 1.563 177.378 175.800 0.025 0.000 1.133 13 F CA 4.079 62.047 58.000 -0.053 0.000 1.188 13 F CB -0.033 38.888 39.000 -0.131 0.000 0.974 13 F HN 0.025 8.241 8.300 0.228 0.221 0.473 14 K N -2.908 117.640 120.400 0.247 0.000 2.360 14 K HA -0.419 3.989 4.320 0.147 0.000 0.201 14 K C 2.398 179.053 176.600 0.091 0.000 1.046 14 K CA 2.815 59.226 56.287 0.205 0.000 0.940 14 K CB -0.337 32.398 32.500 0.391 0.000 0.748 14 K HN 0.204 8.662 8.250 0.347 0.000 0.465 15 S N -1.617 114.129 115.700 0.077 0.000 2.441 15 S HA -0.078 4.421 4.470 0.047 0.000 0.224 15 S C 0.778 175.373 174.600 -0.009 0.000 1.043 15 S CA 0.981 59.207 58.200 0.043 0.000 0.948 15 S CB 0.485 63.723 63.200 0.062 0.000 0.810 15 S HN -0.687 7.582 8.310 0.104 0.103 0.504 16 L N 2.274 123.469 121.223 -0.046 0.000 2.473 16 L HA 0.083 4.396 4.340 -0.046 0.000 0.268 16 L C -2.201 174.592 176.870 -0.128 0.000 1.215 16 L CA -1.208 53.579 54.840 -0.088 0.000 0.823 16 L CB -0.129 41.864 42.059 -0.111 0.000 1.099 16 L HN 0.111 8.105 8.230 -0.035 0.215 0.483 17 P HA 0.210 4.581 4.420 -0.081 0.000 0.281 17 P C 0.275 177.506 177.300 -0.116 0.000 1.252 17 P CA -0.733 62.314 63.100 -0.088 0.000 0.778 17 P CB 0.816 32.483 31.700 -0.055 0.000 0.895 18 K N 7.372 127.707 120.400 -0.108 0.000 2.023 18 K HA -0.622 3.643 4.320 -0.093 0.000 0.227 18 K C 1.549 178.122 176.600 -0.046 0.000 1.054 18 K CA 4.836 61.068 56.287 -0.092 0.000 0.977 18 K CB -0.325 32.108 32.500 -0.112 0.000 0.733 18 K HN 0.558 8.751 8.250 -0.094 0.000 0.451 19 E N -3.291 116.878 120.200 -0.053 0.000 2.136 19 E HA -0.365 3.968 4.350 -0.029 0.000 0.208 19 E C 2.325 178.918 176.600 -0.010 0.000 1.035 19 E CA 2.847 59.229 56.400 -0.030 0.000 0.838 19 E CB -1.052 28.628 29.700 -0.033 0.000 0.748 19 E HN 0.397 8.719 8.360 -0.063 0.000 0.459 20 L N -0.684 120.517 121.223 -0.037 0.000 2.027 20 L HA -0.298 4.030 4.340 -0.019 0.000 0.206 20 L C 2.306 179.136 176.870 -0.067 0.000 1.074 20 L CA 2.364 57.180 54.840 -0.041 0.000 0.745 20 L CB -0.345 41.685 42.059 -0.049 0.000 0.898 20 L HN -0.139 7.973 8.230 -0.052 0.086 0.433 21 R N -1.512 118.893 120.500 -0.159 0.000 2.178 21 R HA -0.528 3.523 4.340 -0.482 0.000 0.257 21 R C 2.434 178.646 176.300 -0.147 0.000 1.163 21 R CA 3.907 59.778 56.100 -0.382 0.000 0.981 21 R CB -0.749 29.162 30.300 -0.649 0.000 0.878 21 R HN 0.735 8.708 8.270 -0.170 0.196 0.454 22 S N -1.275 114.532 115.700 0.178 0.000 2.348 22 S HA -0.323 4.344 4.470 0.327 0.000 0.221 22 S C 2.160 176.786 174.600 0.044 0.000 1.033 22 S CA 3.531 61.877 58.200 0.242 0.000 1.010 22 S CB -0.381 62.967 63.200 0.247 0.000 0.891 22 S HN 0.119 8.538 8.310 0.192 0.007 0.442 23 Q N 0.445 120.261 119.800 0.027 0.000 2.226 23 Q HA -0.288 4.068 4.340 0.026 0.000 0.204 23 Q C 2.439 178.440 176.000 0.001 0.000 0.975 23 Q CA 2.830 58.643 55.803 0.016 0.000 0.866 23 Q CB -0.019 28.729 28.738 0.017 0.000 0.915 23 Q HN -0.535 7.683 8.270 0.029 0.070 0.440 24 V N 1.780 121.672 119.914 -0.037 0.000 2.270 24 V HA -0.495 3.645 4.120 0.032 0.000 0.245 24 V C 1.502 177.456 176.094 -0.232 0.000 1.043 24 V CA 5.015 67.275 62.300 -0.067 0.000 1.014 24 V CB -0.210 31.579 31.823 -0.057 0.000 0.645 24 V HN 0.439 8.370 8.190 -0.050 0.229 0.447 25 L N -2.197 118.838 121.223 -0.314 0.000 2.129 25 L HA -0.464 3.452 4.340 -0.706 0.000 0.212 25 L C 2.049 178.862 176.870 -0.095 0.000 1.087 25 L CA 2.883 57.496 54.840 -0.378 0.000 0.757 25 L CB -0.780 41.028 42.059 -0.420 0.000 0.896 25 L HN -0.074 8.014 8.230 -0.236 0.000 0.434 26 L N -1.922 119.285 121.223 -0.026 0.000 1.973 26 L HA -0.347 4.024 4.340 0.051 0.000 0.208 26 L C 2.573 179.497 176.870 0.090 0.000 1.073 26 L CA 2.811 57.676 54.840 0.042 0.000 0.746 26 L CB -1.270 40.812 42.059 0.039 0.000 0.891 26 L HN -0.441 7.654 8.230 -0.043 0.108 0.433 27 E N -1.099 119.165 120.200 0.107 0.000 2.086 27 E HA -0.537 3.873 4.350 0.100 0.000 0.205 27 E C 2.680 179.407 176.600 0.212 0.000 1.027 27 E CA 3.325 59.814 56.400 0.149 0.000 0.830 27 E CB -0.312 29.488 29.700 0.167 0.000 0.751 27 E HN -0.226 8.181 8.360 0.078 0.000 0.456 28 Y N -1.193 119.103 120.300 -0.008 0.000 2.030 28 Y HA -0.456 4.078 4.550 -0.027 0.000 0.272 28 Y C 2.766 178.651 175.900 -0.025 0.000 1.185 28 Y CA 2.828 60.912 58.100 -0.027 0.000 1.120 28 Y CB -1.189 37.242 38.460 -0.049 0.000 0.955 28 Y HN 0.095 8.700 8.280 0.541 0.000 0.495 29 A N -1.976 120.944 122.820 0.167 0.000 1.948 29 A HA -0.374 3.977 4.320 0.052 0.000 0.220 29 A C 1.106 178.727 177.584 0.062 0.000 1.177 29 A CA 2.646 54.730 52.037 0.079 0.000 0.636 29 A CB -1.261 17.777 19.000 0.063 0.000 0.815 29 A HN -0.126 8.138 8.150 0.190 0.000 0.449 30 A N -4.585 118.277 122.820 0.069 0.000 2.070 30 A HA -0.156 4.190 4.320 0.044 0.000 0.220 30 A C 0.624 178.230 177.584 0.036 0.000 1.159 30 A CA 1.578 53.645 52.037 0.050 0.000 0.656 30 A CB -0.297 18.734 19.000 0.052 0.000 0.800 30 A HN -0.416 7.674 8.150 0.091 0.115 0.453 31 K N -1.616 118.801 120.400 0.028 0.000 2.969 31 K HA 0.142 4.463 4.320 0.002 0.000 0.222 31 K C -0.916 175.682 176.600 -0.004 0.000 1.172 31 K CA -0.869 55.415 56.287 -0.006 0.000 1.192 31 K CB -0.338 32.131 32.500 -0.053 0.000 1.111 31 K HN -0.167 7.916 8.250 0.044 0.193 0.457 32 V N 1.426 121.357 119.914 0.030 0.000 2.340 32 V HA 0.343 4.500 4.120 0.061 0.000 0.277 32 V C -2.688 173.453 176.094 0.079 0.000 1.017 32 V CA -3.409 58.928 62.300 0.062 0.000 0.820 32 V CB 1.564 33.430 31.823 0.071 0.000 1.028 32 V HN -0.660 7.468 8.190 0.036 0.084 0.436 33 P HA 0.262 4.719 4.420 0.063 0.000 0.274 33 P C -2.165 175.204 177.300 0.114 0.000 1.237 33 P CA -1.948 61.198 63.100 0.077 0.000 0.793 33 P CB -0.527 31.210 31.700 0.062 0.000 0.977 34 P HA 0.229 4.720 4.420 0.119 0.000 0.276 34 P C -1.545 175.843 177.300 0.147 0.000 1.244 34 P CA -1.890 61.273 63.100 0.104 0.000 0.801 34 P CB -0.473 31.259 31.700 0.054 0.000 1.006 35 P HA 0.195 4.794 4.420 0.298 0.000 0.274 35 P C -1.755 175.562 177.300 0.028 0.000 1.256 35 P CA -1.622 61.572 63.100 0.156 0.000 0.795 35 P CB -0.549 31.206 31.700 0.092 0.000 1.038 36 P HA 0.215 4.621 4.420 -0.023 0.000 0.274 36 P C -1.894 175.341 177.300 -0.108 0.000 1.237 36 P CA -1.738 61.316 63.100 -0.075 0.000 0.793 36 P CB -0.858 30.786 31.700 -0.094 0.000 0.977 37 P HA -0.032 4.342 4.420 -0.076 0.000 0.281 37 P C -0.239 177.000 177.300 -0.102 0.000 1.286 37 P CA 0.121 63.176 63.100 -0.075 0.000 0.772 37 P CB -0.365 31.308 31.700 -0.046 0.000 0.862 38 G N 4.621 113.344 108.800 -0.129 0.000 3.131 38 G HA2 -0.262 3.625 3.960 -0.122 0.000 0.198 38 G HA3 -0.262 3.621 3.960 -0.129 0.000 0.198 38 G C -1.068 173.706 174.900 -0.209 0.000 1.435 38 G CA -0.347 44.667 45.100 -0.143 0.000 1.016 38 G HN 0.327 8.538 8.290 -0.132 0.000 0.499 39 V N 3.285 123.031 119.914 -0.279 0.000 2.902 39 V HA -0.191 3.675 4.120 -0.423 0.000 0.297 39 V C -1.225 174.613 176.094 -0.427 0.000 1.230 39 V CA 0.678 62.717 62.300 -0.435 0.000 1.344 39 V CB 0.751 32.206 31.823 -0.614 0.000 0.889 39 V HN -0.435 7.596 8.190 -0.264 0.000 0.515 40 E N 7.529 127.408 120.200 -0.535 0.000 2.151 40 E HA 0.068 4.229 4.350 -0.314 0.000 0.275 40 E C -2.045 174.311 176.600 -0.407 0.000 0.936 40 E CA -0.646 55.519 56.400 -0.391 0.000 0.777 40 E CB 1.087 30.630 29.700 -0.261 0.000 1.108 40 E HN 0.106 8.050 8.360 -0.694 0.000 0.401 41 L N 4.351 125.429 121.223 -0.242 0.000 2.322 41 L HA 0.221 4.657 4.340 -0.001 -0.096 0.279 41 L C -0.738 176.133 176.870 0.002 0.000 1.036 41 L CA -1.029 53.767 54.840 -0.073 0.000 0.807 41 L CB 1.623 43.676 42.059 -0.010 0.000 1.226 41 L HN 0.271 8.341 8.230 -0.266 0.000 0.433 42 E N 2.288 122.543 120.200 0.092 0.000 2.175 42 E HA 0.198 4.597 4.350 0.082 0.000 0.278 42 E C -1.387 175.330 176.600 0.196 0.000 0.969 42 E CA -1.526 54.938 56.400 0.107 0.000 0.796 42 E CB 2.901 32.639 29.700 0.065 0.000 1.104 42 E HN 0.376 8.799 8.360 0.105 0.000 0.395 43 R N 6.129 126.802 120.500 0.288 0.000 2.643 43 R HA -0.128 4.531 4.340 0.298 -0.141 0.270 43 R C -0.488 175.894 176.300 0.137 0.000 1.061 43 R CA 0.924 57.198 56.100 0.290 0.000 1.107 43 R CB 0.782 31.306 30.300 0.373 0.000 0.999 43 R HN 0.513 8.926 8.270 0.238 0.000 0.460 44 V N 5.339 125.312 119.914 0.098 0.000 2.270 44 V HA 0.171 4.366 4.120 0.126 0.000 0.263 44 V C -0.406 175.813 176.094 0.208 0.000 1.066 44 V CA -0.812 61.576 62.300 0.146 0.000 0.857 44 V CB 0.456 32.391 31.823 0.186 0.000 1.099 44 V HN 0.477 8.584 8.190 0.009 0.088 0.476 45 H N 6.812 125.911 119.070 0.048 0.000 2.319 45 H HA -0.395 4.180 4.556 0.032 0.000 0.297 45 H C 1.329 176.677 175.328 0.034 0.000 1.097 45 H CA 2.971 59.041 56.048 0.038 0.000 1.285 45 H CB 0.247 30.032 29.762 0.038 0.000 1.368 45 H HN -0.010 8.431 8.280 0.269 0.000 0.495 46 E N -1.644 118.657 120.200 0.169 0.000 2.164 46 E HA -0.263 4.138 4.350 0.084 0.000 0.206 46 E C -0.102 176.529 176.600 0.053 0.000 1.032 46 E CA 2.140 58.597 56.400 0.096 0.000 0.832 46 E CB -0.176 29.579 29.700 0.092 0.000 0.742 46 E HN 0.142 8.613 8.360 0.186 0.000 0.460 47 C N -2.136 117.204 119.300 0.066 0.000 2.463 47 C HA -0.062 4.388 4.460 -0.017 0.000 0.380 47 C C 0.626 175.611 174.990 -0.009 0.000 1.264 47 C CA -0.350 58.679 59.018 0.018 0.000 2.161 47 C CB 2.174 29.941 27.740 0.044 0.000 2.515 47 C HN -0.454 7.737 8.230 0.113 0.107 0.565 48 Q N 3.717 123.493 119.800 -0.040 0.000 1.967 48 Q HA -0.223 4.084 4.340 -0.055 0.000 0.202 48 Q C 0.625 176.595 176.000 -0.051 0.000 0.985 48 Q CA 2.266 58.039 55.803 -0.050 0.000 0.839 48 Q CB 0.014 28.723 28.738 -0.049 0.000 0.906 48 Q HN 0.349 8.587 8.270 -0.053 0.000 0.423 49 T N -1.731 112.791 114.554 -0.053 0.000 2.855 49 T HA 0.074 4.401 4.350 -0.039 0.000 0.314 49 T C -1.493 173.165 174.700 -0.070 0.000 1.077 49 T CA -2.277 59.792 62.100 -0.052 0.000 1.095 49 T CB -0.143 68.688 68.868 -0.062 0.000 0.987 49 T HN -0.372 7.829 8.240 -0.066 0.000 0.546 50 P HA 0.037 4.295 4.420 -0.269 0.000 0.237 50 P C -2.259 174.554 177.300 -0.812 0.000 1.788 50 P CA -0.468 62.422 63.100 -0.351 0.000 1.061 50 P CB -1.611 30.005 31.700 -0.140 0.000 1.967 51 F N 4.921 124.509 119.950 -0.604 0.000 2.421 51 F HA 0.024 4.306 4.527 -0.409 0.000 0.358 51 F C -2.224 173.326 175.800 -0.416 0.000 1.115 51 F CA -2.744 54.993 58.000 -0.437 0.000 1.160 51 F CB 1.299 40.225 39.000 -0.123 0.000 1.123 51 F HN -0.244 7.981 8.300 -0.068 0.034 0.508 52 F N 6.583 126.495 119.950 -0.063 0.000 2.436 52 F HA 0.600 5.195 4.527 -0.139 -0.152 0.340 52 F C -1.053 174.559 175.800 -0.313 0.000 1.113 52 F CA -2.313 55.591 58.000 -0.159 0.000 1.022 52 F CB 1.703 40.666 39.000 -0.062 0.000 1.128 52 F HN -0.282 7.928 8.300 -0.150 0.000 0.466 53 V N -4.584 115.254 119.914 -0.127 0.000 3.102 53 V HA 1.062 5.252 4.120 -0.266 -0.230 0.312 53 V C -1.831 174.251 176.094 -0.020 0.000 1.135 53 V CA -3.457 58.716 62.300 -0.211 0.000 1.022 53 V CB 3.965 35.609 31.823 -0.297 0.000 1.056 53 V HN 0.560 8.727 8.190 -0.038 0.000 0.436 54 H N 1.906 120.865 119.070 -0.184 0.000 3.240 54 H HA 0.254 4.775 4.556 -0.058 0.000 0.329 54 H C -2.521 172.793 175.328 -0.022 0.000 1.024 54 H CA 0.364 56.378 56.048 -0.057 0.000 1.487 54 H CB 3.251 33.003 29.762 -0.016 0.000 1.909 54 H HN -0.069 8.067 8.280 -0.239 0.000 0.465 55 A N 7.000 129.584 122.820 -0.393 0.000 2.312 55 A HA 0.285 4.593 4.320 -0.239 -0.131 0.326 55 A C -1.585 175.780 177.584 -0.365 0.000 1.172 55 A CA -1.466 50.391 52.037 -0.300 0.000 0.821 55 A CB 2.198 21.081 19.000 -0.195 0.000 1.166 55 A HN 0.211 8.126 8.150 -0.392 0.000 0.493 56 D N -0.566 119.723 120.400 -0.184 0.000 2.725 56 D HA 0.298 4.860 4.640 -0.130 0.000 0.292 56 D C -2.542 173.733 176.300 -0.041 0.000 1.288 56 D CA -0.400 53.540 54.000 -0.099 0.000 0.784 56 D CB 4.327 45.128 40.800 0.002 0.000 1.308 56 D HN -0.358 7.924 8.370 -0.146 0.000 0.429 57 V N 0.586 120.490 119.914 -0.016 0.000 2.569 57 V HA 0.708 4.983 4.120 -0.023 -0.168 0.301 57 V C -2.052 174.047 176.094 0.009 0.000 1.044 57 V CA -2.332 59.959 62.300 -0.014 0.000 0.874 57 V CB 2.640 34.445 31.823 -0.029 0.000 1.002 57 V HN 0.239 8.423 8.190 -0.010 0.000 0.424 58 E N 7.665 127.874 120.200 0.016 0.000 2.114 58 E HA 0.211 4.574 4.350 0.022 0.000 0.266 58 E C 0.117 176.722 176.600 0.008 0.000 0.896 58 E CA -0.919 55.495 56.400 0.023 0.000 0.750 58 E CB 1.507 31.234 29.700 0.046 0.000 1.121 58 E HN 0.218 8.582 8.360 0.008 0.000 0.413 59 G N 6.410 115.213 108.800 0.004 0.000 5.426 59 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.297 59 G HA3 -0.380 3.579 3.960 -0.000 0.000 0.297 59 G C -0.205 174.691 174.900 -0.006 0.000 1.422 59 G CA 0.574 45.674 45.100 -0.001 0.000 0.938 59 G HN 0.585 8.879 8.290 0.006 0.000 0.754 60 G N 2.565 111.359 108.800 -0.010 0.000 5.284 60 G HA2 0.173 4.124 3.960 -0.015 0.000 0.236 60 G HA3 0.173 4.125 3.960 -0.014 0.000 0.236 60 G C -1.898 172.989 174.900 -0.021 0.000 0.870 60 G CA 0.211 45.303 45.100 -0.015 0.000 0.724 60 G HN -0.139 8.120 8.290 -0.010 0.025 0.336 61 K N -0.669 119.717 120.400 -0.024 0.000 2.512 61 K HA 0.564 4.965 4.320 -0.039 -0.105 0.263 61 K C -2.057 174.516 176.600 -0.045 0.000 0.966 61 K CA -1.268 54.998 56.287 -0.036 0.000 0.851 61 K CB 4.368 36.847 32.500 -0.036 0.000 1.395 61 K HN -0.794 7.445 8.250 -0.018 0.000 0.440 62 V N 0.255 120.130 119.914 -0.065 0.000 2.834 62 V HA 0.245 4.464 4.120 -0.072 -0.142 0.301 62 V C 0.061 176.079 176.094 -0.127 0.000 1.066 62 V CA -0.806 61.442 62.300 -0.087 0.000 1.052 62 V CB 0.504 32.269 31.823 -0.097 0.000 1.021 62 V HN 0.804 8.856 8.190 -0.068 0.097 0.480 63 R N 4.116 124.517 120.500 -0.167 0.000 2.467 63 R HA 0.365 4.494 4.340 -0.351 0.000 0.299 63 R C -1.856 174.064 176.300 -0.633 0.000 1.120 63 R CA -2.157 53.734 56.100 -0.349 0.000 0.940 63 R CB 0.583 30.814 30.300 -0.115 0.000 1.161 63 R HN 1.084 9.165 8.270 -0.131 0.109 0.506 64 L N 3.626 124.458 121.223 -0.652 0.000 2.350 64 L HA 0.039 4.064 4.340 -0.527 0.000 0.275 64 L C -0.502 175.815 176.870 -0.921 0.000 1.099 64 L CA -0.335 54.129 54.840 -0.628 0.000 0.808 64 L CB 1.337 43.216 42.059 -0.300 0.000 1.149 64 L HN 0.298 8.233 8.230 -0.491 0.000 0.442 65 Y N 0.329 120.341 120.300 -0.479 0.000 2.361 65 Y HA 0.186 4.667 4.550 -0.115 0.000 0.328 65 Y C -1.714 173.892 175.900 -0.489 0.000 1.044 65 Y CA -1.115 56.810 58.100 -0.292 0.000 1.085 65 Y CB 2.613 41.023 38.460 -0.083 0.000 1.194 65 Y HN -0.237 7.643 8.280 -0.666 0.000 0.438 66 F N 1.500 121.590 119.950 0.235 0.000 2.561 66 F HA 0.831 5.614 4.527 0.107 -0.192 0.321 66 F C -1.209 174.777 175.800 0.310 0.000 1.065 66 F CA -1.770 56.358 58.000 0.214 0.000 0.934 66 F CB 4.334 43.492 39.000 0.264 0.000 1.215 66 F HN 0.402 8.908 8.300 0.343 0.000 0.471 67 H N 2.006 121.349 119.070 0.456 0.000 3.108 67 H HA 0.352 5.119 4.556 0.352 0.000 0.329 67 H C -2.496 173.127 175.328 0.492 0.000 0.978 67 H CA -0.760 55.550 56.048 0.436 0.000 1.413 67 H CB 2.773 32.783 29.762 0.414 0.000 1.670 67 H HN 0.141 8.771 8.280 0.582 0.000 0.512 68 V N 7.998 128.137 119.914 0.374 0.000 2.357 68 V HA 0.327 4.701 4.120 0.424 0.000 0.284 68 V C -1.213 175.024 176.094 0.239 0.000 1.018 68 V CA -3.529 58.969 62.300 0.330 0.000 0.841 68 V CB 1.344 33.279 31.823 0.188 0.000 0.991 68 V HN 0.272 8.533 8.190 0.117 0.000 0.437 69 P HA -0.018 4.592 4.420 0.316 0.000 0.215 69 P C -0.247 177.146 177.300 0.154 0.000 1.160 69 P CA 2.070 65.350 63.100 0.301 0.000 0.869 69 P CB 0.482 32.393 31.700 0.351 0.000 0.782 70 D N -2.850 117.619 120.400 0.115 0.000 2.363 70 D HA -0.142 4.539 4.640 0.068 0.000 0.226 70 D C -0.869 175.460 176.300 0.049 0.000 1.020 70 D CA -0.182 53.858 54.000 0.067 0.000 0.892 70 D CB -0.309 40.515 40.800 0.041 0.000 0.900 70 D HN -0.142 8.299 8.370 0.118 0.000 0.531 71 E N -5.947 114.288 120.200 0.060 0.000 2.403 71 E HA -0.356 4.023 4.350 0.049 0.000 0.241 71 E C -1.796 174.817 176.600 0.021 0.000 1.201 71 E CA 0.357 56.781 56.400 0.041 0.000 0.721 71 E CB -2.369 27.352 29.700 0.035 0.000 1.245 71 E HN -0.167 8.121 8.360 0.089 0.125 0.392 72 A N -0.964 121.858 122.820 0.003 0.000 2.565 72 A HA -0.085 4.235 4.320 -0.000 0.000 0.237 72 A C -0.118 177.458 177.584 -0.012 0.000 1.053 72 A CA -0.574 51.453 52.037 -0.016 0.000 0.755 72 A CB 0.280 19.247 19.000 -0.055 0.000 0.980 72 A HN -0.131 8.015 8.150 0.005 0.007 0.506 73 P HA -0.087 4.354 4.420 0.036 0.000 0.218 73 P C 0.980 178.324 177.300 0.074 0.000 1.152 73 P CA 2.230 65.354 63.100 0.040 0.000 0.826 73 P CB 0.104 31.834 31.700 0.050 0.000 0.790 74 T N -4.438 110.166 114.554 0.084 0.000 2.985 74 T HA -0.155 4.474 4.350 0.465 0.000 0.266 74 T C 1.648 176.302 174.700 -0.077 0.000 1.076 74 T CA 3.212 65.433 62.100 0.202 0.000 1.135 74 T CB -0.317 68.673 68.868 0.203 0.000 0.890 74 T HN -0.175 8.095 8.240 0.049 0.000 0.480 75 V N 1.760 121.564 119.914 -0.182 0.000 2.379 75 V HA -0.306 3.477 4.120 -0.561 0.000 0.243 75 V C 1.587 177.446 176.094 -0.392 0.000 1.035 75 V CA 2.296 64.348 62.300 -0.414 0.000 1.035 75 V CB -0.457 31.126 31.823 -0.400 0.000 0.673 75 V HN -0.324 7.685 8.190 -0.112 0.113 0.457 76 K N -0.339 119.951 120.400 -0.184 0.000 2.057 76 K HA -0.345 3.902 4.320 -0.122 0.000 0.206 76 K C 1.842 178.392 176.600 -0.083 0.000 1.050 76 K CA 3.298 59.523 56.287 -0.104 0.000 0.935 76 K CB -0.031 32.461 32.500 -0.013 0.000 0.715 76 K HN 0.167 8.229 8.250 -0.115 0.120 0.439 77 A N 0.127 122.945 122.820 -0.003 0.000 1.863 77 A HA -0.319 4.193 4.320 0.107 -0.127 0.218 77 A C 1.955 179.572 177.584 0.054 0.000 1.233 77 A CA 3.105 55.201 52.037 0.098 0.000 0.655 77 A CB -0.934 18.230 19.000 0.273 0.000 0.839 77 A HN -0.023 8.014 8.150 0.014 0.121 0.454 78 F N -0.061 119.710 119.950 -0.298 0.000 2.043 78 F HA -0.510 3.888 4.527 -0.215 0.000 0.297 78 F C 1.261 176.871 175.800 -0.317 0.000 1.121 78 F CA 2.880 60.636 58.000 -0.407 0.000 1.199 78 F CB -0.168 38.323 39.000 -0.848 0.000 0.968 78 F HN -0.874 7.310 8.300 -0.193 0.000 0.478 79 A N -2.168 120.435 122.820 -0.361 0.000 1.971 79 A HA -0.535 3.121 4.320 -1.106 0.000 0.222 79 A C 2.085 179.144 177.584 -0.875 0.000 1.182 79 A CA 3.060 54.550 52.037 -0.911 0.000 0.649 79 A CB -0.922 17.676 19.000 -0.670 0.000 0.818 79 A HN -0.161 7.830 8.150 -0.265 0.000 0.458 80 G N -2.187 106.399 108.800 -0.356 0.000 2.395 80 G HA2 -0.187 3.683 3.960 -0.150 0.000 0.214 80 G HA3 -0.187 3.751 3.960 -0.037 0.000 0.214 80 G C 0.993 175.815 174.900 -0.129 0.000 1.177 80 G CA 1.388 46.393 45.100 -0.158 0.000 0.794 80 G HN 0.398 8.330 8.290 -0.231 0.219 0.532 81 L N 2.218 123.449 121.223 0.014 0.000 2.127 81 L HA -0.261 4.189 4.340 0.183 0.000 0.211 81 L C 1.743 178.530 176.870 -0.139 0.000 1.089 81 L CA 2.927 57.824 54.840 0.094 0.000 0.757 81 L CB -0.842 41.286 42.059 0.115 0.000 0.899 81 L HN 0.125 8.196 8.230 0.031 0.178 0.434 82 L N -2.851 118.197 121.223 -0.292 0.000 1.994 82 L HA -0.399 3.819 4.340 -0.204 0.000 0.208 82 L C 2.529 179.356 176.870 -0.072 0.000 1.071 82 L CA 3.211 57.930 54.840 -0.201 0.000 0.745 82 L CB -0.760 41.203 42.059 -0.161 0.000 0.892 82 L HN 0.500 8.265 8.230 -0.436 0.204 0.431 83 R N -1.386 119.120 120.500 0.009 0.000 2.115 83 R HA -0.260 4.141 4.340 0.028 -0.044 0.226 83 R C 2.276 178.517 176.300 -0.099 0.000 1.100 83 R CA 2.815 58.929 56.100 0.025 0.000 0.980 83 R CB -0.420 29.957 30.300 0.129 0.000 0.875 83 R HN -0.648 7.612 8.270 -0.018 0.000 0.445 84 E N 1.196 121.291 120.200 -0.174 0.000 2.171 84 E HA -0.280 3.908 4.350 -0.270 0.000 0.197 84 E C 0.273 176.757 176.600 -0.193 0.000 0.997 84 E CA 2.486 58.722 56.400 -0.274 0.000 0.810 84 E CB -0.460 28.918 29.700 -0.537 0.000 0.738 84 E HN 0.815 8.849 8.360 -0.179 0.218 0.467 85 G N -5.276 103.429 108.800 -0.158 0.000 4.637 85 G HA2 0.248 4.080 3.960 -0.124 0.000 0.294 85 G HA3 0.248 4.161 3.960 -0.144 -0.039 0.294 85 G C -1.209 173.600 174.900 -0.152 0.000 1.215 85 G CA -0.498 44.517 45.100 -0.143 0.000 0.943 85 G HN -0.656 7.427 8.290 -0.155 0.114 0.572 86 L N -2.715 118.432 121.223 -0.127 0.000 2.481 86 L HA 0.154 4.420 4.340 -0.123 0.000 0.253 86 L C -1.069 175.739 176.870 -0.103 0.000 1.071 86 L CA 0.211 54.981 54.840 -0.117 0.000 1.189 86 L CB 1.838 43.829 42.059 -0.113 0.000 2.356 86 L HN -0.141 7.929 8.230 -0.117 0.090 0.545 87 E N 1.725 121.866 120.200 -0.098 0.000 2.757 87 E HA -0.485 3.784 4.350 -0.135 0.000 0.238 87 E C 0.473 177.014 176.600 -0.098 0.000 1.057 87 E CA 2.362 58.697 56.400 -0.109 0.000 0.952 87 E CB -0.516 29.125 29.700 -0.099 0.000 0.934 87 E HN -0.169 7.986 8.360 -0.088 0.152 0.518 88 G N 6.113 114.855 108.800 -0.097 0.000 2.254 88 G HA2 -0.373 3.546 3.960 -0.070 0.000 0.225 88 G HA3 -0.373 3.547 3.960 -0.068 0.000 0.225 88 G C 0.008 174.867 174.900 -0.067 0.000 1.003 88 G CA -0.253 44.802 45.100 -0.075 0.000 0.622 88 G HN -0.061 8.162 8.290 -0.113 0.000 0.507 89 E N 1.506 121.661 120.200 -0.076 0.000 2.569 89 E HA -0.024 4.289 4.350 -0.060 0.000 0.258 89 E C -0.567 175.995 176.600 -0.062 0.000 1.390 89 E CA 0.173 56.532 56.400 -0.069 0.000 1.049 89 E CB 0.527 30.178 29.700 -0.081 0.000 1.009 89 E HN 0.503 8.592 8.360 -0.087 0.219 0.580 90 S N -1.721 113.946 115.700 -0.055 0.000 2.652 90 S HA 0.287 4.730 4.470 -0.044 0.000 0.270 90 S C -0.850 173.719 174.600 -0.051 0.000 1.243 90 S CA -1.071 57.101 58.200 -0.047 0.000 0.999 90 S CB -0.567 62.611 63.200 -0.037 0.000 0.973 90 S HN 0.168 8.445 8.310 -0.055 0.000 0.544 91 P HA -0.044 4.344 4.420 -0.054 0.000 0.236 91 P C -0.720 176.556 177.300 -0.039 0.000 1.177 91 P CA 1.287 64.359 63.100 -0.046 0.000 0.773 91 P CB 0.373 32.048 31.700 -0.040 0.000 0.878 92 E N -2.518 117.661 120.200 -0.035 0.000 2.166 92 E HA -0.212 4.123 4.350 -0.025 0.000 0.192 92 E C 1.630 178.211 176.600 -0.032 0.000 0.967 92 E CA 1.653 58.036 56.400 -0.028 0.000 0.840 92 E CB -0.041 29.645 29.700 -0.022 0.000 0.795 92 E HN 0.027 8.316 8.360 -0.035 0.050 0.470 93 A N -0.677 122.119 122.820 -0.040 0.000 1.929 93 A HA -0.162 4.134 4.320 -0.040 0.000 0.216 93 A C 1.649 179.193 177.584 -0.065 0.000 1.176 93 A CA 2.640 54.648 52.037 -0.048 0.000 0.628 93 A CB -0.806 18.163 19.000 -0.052 0.000 0.816 93 A HN -0.008 8.032 8.150 -0.042 0.085 0.444 94 V N -2.626 117.247 119.914 -0.069 0.000 2.759 94 V HA -0.336 3.717 4.120 -0.112 0.000 0.256 94 V C 0.699 176.760 176.094 -0.055 0.000 1.080 94 V CA 3.076 65.328 62.300 -0.080 0.000 1.101 94 V CB -0.223 31.553 31.823 -0.078 0.000 0.698 94 V HN -0.366 7.787 8.190 -0.062 0.000 0.477 95 L N -4.542 116.658 121.223 -0.038 0.000 2.249 95 L HA -0.135 4.200 4.340 -0.009 0.000 0.207 95 L C 1.226 178.089 176.870 -0.010 0.000 1.090 95 L CA 1.386 56.215 54.840 -0.018 0.000 0.802 95 L CB 0.296 42.345 42.059 -0.016 0.000 0.947 95 L HN -0.777 7.274 8.230 -0.040 0.154 0.453 96 E N -3.778 116.410 120.200 -0.020 0.000 2.409 96 E HA -0.246 4.103 4.350 -0.002 0.000 0.198 96 E C 0.284 176.879 176.600 -0.008 0.000 1.024 96 E CA 0.948 57.341 56.400 -0.012 0.000 0.861 96 E CB 0.154 29.844 29.700 -0.016 0.000 0.788 96 E HN -0.447 7.704 8.360 -0.029 0.192 0.521 97 V N 1.552 121.450 119.914 -0.027 0.000 2.508 97 V HA -0.094 4.009 4.120 -0.027 0.000 0.281 97 V C -1.964 174.170 176.094 0.066 0.000 1.041 97 V CA -1.861 60.421 62.300 -0.030 0.000 1.016 97 V CB -0.478 31.246 31.823 -0.166 0.000 0.984 97 V HN -0.934 7.059 8.190 -0.040 0.173 0.478 98 P HA 0.331 4.805 4.420 0.091 0.000 0.276 98 P C -1.627 175.794 177.300 0.202 0.000 1.252 98 P CA -2.197 60.979 63.100 0.125 0.000 0.802 98 P CB -0.409 31.341 31.700 0.084 0.000 1.035 99 P HA -0.048 4.499 4.420 0.211 0.000 0.242 99 P C -0.976 176.275 177.300 -0.081 0.000 1.197 99 P CA 0.278 63.446 63.100 0.112 0.000 0.765 99 P CB 0.429 32.182 31.700 0.088 0.000 0.936 100 G N -2.305 106.358 108.800 -0.228 0.000 4.729 100 G HA2 0.248 3.243 3.960 -1.608 0.000 0.258 100 G HA3 0.248 3.916 3.960 -0.487 0.000 0.258 100 G C -0.726 173.845 174.900 -0.548 0.000 1.188 100 G CA -0.271 44.393 45.100 -0.727 0.000 0.866 100 G HN -0.316 7.859 8.290 -0.063 0.078 0.562 101 F N 1.044 120.778 119.950 -0.360 0.000 2.797 101 F HA 0.066 4.573 4.527 -0.033 0.000 0.302 101 F C -1.867 174.034 175.800 0.168 0.000 1.130 101 F CA -1.748 56.227 58.000 -0.043 0.000 1.387 101 F CB -0.201 38.835 39.000 0.060 0.000 1.107 101 F HN -0.590 7.441 8.300 -0.448 0.000 0.577 102 Y N -5.814 114.357 120.300 -0.214 0.000 2.507 102 Y HA 0.327 5.067 4.550 0.317 0.000 0.254 102 Y C -0.470 175.523 175.900 0.155 0.000 1.171 102 Y CA -3.427 54.676 58.100 0.004 0.000 1.238 102 Y CB -1.510 36.806 38.460 -0.240 0.000 1.148 102 Y HN -0.618 6.684 8.280 -1.509 0.073 0.525 103 R N 1.171 121.744 120.500 0.122 0.000 2.112 103 R HA -0.039 4.474 4.340 0.289 0.000 0.216 103 R C 1.766 178.108 176.300 0.071 0.000 1.080 103 R CA 2.498 58.679 56.100 0.136 0.000 0.996 103 R CB 0.547 30.840 30.300 -0.012 0.000 0.902 103 R HN -0.877 7.244 8.270 -0.150 0.059 0.449 104 G N -1.284 107.471 108.800 -0.076 0.000 3.471 104 G HA2 0.009 3.855 3.960 -0.190 0.000 0.254 104 G HA3 0.009 3.694 3.960 -0.457 0.000 0.254 104 G C -1.243 173.239 174.900 -0.696 0.000 1.199 104 G CA 0.117 45.011 45.100 -0.344 0.000 1.683 104 G HN 0.465 8.720 8.290 -0.058 0.000 0.625 105 Y N -0.597 119.794 120.300 0.152 0.000 1.958 105 Y HA 0.065 4.712 4.550 0.162 0.000 0.065 105 Y C -0.972 175.053 175.900 0.208 0.000 1.360 105 Y CA 0.467 58.682 58.100 0.192 0.000 1.660 105 Y CB 1.225 39.834 38.460 0.247 0.000 1.362 105 Y HN -0.378 7.906 8.280 0.160 0.092 0.182 106 G N -1.821 107.294 108.800 0.525 0.000 5.374 106 G HA2 0.209 4.706 3.960 0.299 0.000 0.198 106 G HA3 0.209 4.383 3.960 0.356 0.000 0.198 106 G C -2.208 173.025 174.900 0.555 0.000 0.812 106 G CA 0.392 45.743 45.100 0.417 0.000 0.614 106 G HN -0.213 8.467 8.290 0.649 0.000 0.357 107 L N -0.964 120.512 121.223 0.423 0.000 2.349 107 L HA 0.141 4.666 4.340 0.309 0.000 0.200 107 L C 1.420 178.394 176.870 0.173 0.000 1.064 107 L CA 1.292 56.287 54.840 0.258 0.000 0.821 107 L CB 1.085 43.215 42.059 0.118 0.000 1.027 107 L HN -0.770 7.707 8.230 0.411 0.000 0.476 108 E N 1.218 121.521 120.200 0.171 0.000 2.097 108 E HA -0.484 3.813 4.350 -0.088 0.000 0.196 108 E C 0.990 177.630 176.600 0.067 0.000 1.000 108 E CA 3.431 59.877 56.400 0.076 0.000 0.804 108 E CB -0.126 29.687 29.700 0.188 0.000 0.740 108 E HN -0.708 7.826 8.360 0.291 0.000 0.454 109 E N -4.735 115.521 120.200 0.095 0.000 2.516 109 E HA -0.226 4.121 4.350 -0.005 0.000 0.199 109 E C 0.670 177.229 176.600 -0.068 0.000 1.069 109 E CA 1.474 57.882 56.400 0.014 0.000 0.876 109 E CB -0.966 28.739 29.700 0.008 0.000 0.843 109 E HN 0.199 8.651 8.360 0.150 -0.001 0.530 110 F N -1.781 118.081 119.950 -0.147 0.000 2.453 110 F HA 0.041 4.429 4.527 -0.231 0.000 0.284 110 F C 0.570 176.118 175.800 -0.420 0.000 1.065 110 F CA 2.170 59.974 58.000 -0.325 0.000 1.411 110 F CB 2.443 41.157 39.000 -0.476 0.000 1.131 110 F HN 0.014 8.227 8.300 0.143 0.173 0.582 111 F N -2.668 117.325 119.950 0.071 0.000 2.639 111 F HA 0.328 4.829 4.527 -0.044 0.000 0.300 111 F C -1.195 174.521 175.800 -0.140 0.000 1.109 111 F CA -0.792 57.151 58.000 -0.094 0.000 1.335 111 F CB -0.600 38.232 39.000 -0.280 0.000 1.014 111 F HN 0.005 8.318 8.300 0.020 0.000 0.537 112 T N -2.925 111.647 114.554 0.031 0.000 0.541 112 T HA -0.307 4.053 4.350 -0.012 -0.018 0.774 112 T C -1.566 173.120 174.700 -0.023 0.000 0.992 112 T CA 0.431 62.527 62.100 -0.006 0.000 4.077 112 T CB -0.823 68.038 68.868 -0.013 0.000 2.303 112 T HN -0.477 7.696 8.240 0.008 0.072 0.398 113 P HA 0.044 4.467 4.420 0.004 0.000 0.231 113 P C -0.119 177.167 177.300 -0.022 0.000 1.168 113 P CA 1.882 64.981 63.100 -0.003 0.000 0.779 113 P CB 0.098 31.807 31.700 0.016 0.000 0.844 114 L N -0.282 120.921 121.223 -0.033 0.000 2.115 114 L HA -0.082 4.239 4.340 -0.030 0.000 0.200 114 L C 2.061 178.884 176.870 -0.078 0.000 1.094 114 L CA 1.666 56.481 54.840 -0.041 0.000 0.769 114 L CB -0.582 41.458 42.059 -0.032 0.000 0.931 114 L HN -0.749 7.423 8.230 -0.029 0.041 0.455 115 R N -1.506 118.942 120.500 -0.086 0.000 2.174 115 R HA -0.433 3.828 4.340 -0.131 0.000 0.253 115 R C 2.505 178.647 176.300 -0.263 0.000 1.165 115 R CA 3.531 59.546 56.100 -0.142 0.000 0.984 115 R CB -0.348 29.899 30.300 -0.088 0.000 0.873 115 R HN -0.368 7.868 8.270 -0.057 0.000 0.456 116 L N -1.504 119.562 121.223 -0.261 0.000 2.017 116 L HA -0.413 3.513 4.340 -0.690 0.000 0.208 116 L C 1.470 178.201 176.870 -0.232 0.000 1.073 116 L CA 3.421 58.024 54.840 -0.395 0.000 0.745 116 L CB -0.544 41.309 42.059 -0.343 0.000 0.894 116 L HN -0.523 7.580 8.230 -0.172 0.024 0.432 117 R N -1.845 118.592 120.500 -0.107 0.000 2.159 117 R HA -0.424 4.039 4.340 0.004 -0.121 0.252 117 R C 2.506 178.783 176.300 -0.038 0.000 1.144 117 R CA 3.718 59.796 56.100 -0.038 0.000 0.961 117 R CB -0.845 29.442 30.300 -0.022 0.000 0.877 117 R HN 0.354 8.476 8.270 -0.090 0.094 0.444 118 G N -1.897 106.851 108.800 -0.086 0.000 2.424 118 G HA2 -0.188 3.834 3.960 0.022 0.000 0.214 118 G HA3 -0.188 3.727 3.960 -0.075 0.000 0.214 118 G C 1.387 176.259 174.900 -0.048 0.000 1.202 118 G CA 1.400 46.472 45.100 -0.047 0.000 0.793 118 G HN -0.682 7.540 8.290 -0.124 -0.007 0.534 119 L N 1.065 122.114 121.223 -0.289 0.000 2.051 119 L HA -0.409 3.825 4.340 -0.177 0.000 0.214 119 L C 2.516 179.365 176.870 -0.036 0.000 1.076 119 L CA 2.577 57.137 54.840 -0.467 0.000 0.758 119 L CB -0.951 40.132 42.059 -1.627 0.000 0.890 119 L HN -0.357 7.629 8.230 -0.406 0.000 0.433 120 E N -1.349 118.826 120.200 -0.042 0.000 2.012 120 E HA -0.499 4.066 4.350 0.358 0.000 0.197 120 E C 2.645 179.383 176.600 0.230 0.000 1.007 120 E CA 3.113 59.633 56.400 0.198 0.000 0.816 120 E CB -0.312 29.489 29.700 0.167 0.000 0.762 120 E HN 0.692 8.827 8.360 -0.161 0.128 0.451 121 A N -1.636 121.280 122.820 0.160 0.000 2.023 121 A HA -0.397 4.005 4.320 0.136 0.000 0.223 121 A C 1.578 179.286 177.584 0.206 0.000 1.180 121 A CA 3.089 55.222 52.037 0.159 0.000 0.659 121 A CB -0.746 18.334 19.000 0.133 0.000 0.817 121 A HN -0.362 7.854 8.150 0.109 0.000 0.466 122 A N -1.185 121.816 122.820 0.302 0.000 1.859 122 A HA -0.411 4.066 4.320 0.262 0.000 0.217 122 A C 1.596 179.365 177.584 0.307 0.000 1.198 122 A CA 2.947 55.206 52.037 0.369 0.000 0.629 122 A CB -0.888 18.515 19.000 0.671 0.000 0.830 122 A HN -0.638 7.569 8.150 0.318 0.134 0.446 123 L N -0.956 120.489 121.223 0.370 0.000 1.961 123 L HA -0.349 4.147 4.340 0.261 0.000 0.210 123 L C 1.747 178.729 176.870 0.187 0.000 1.072 123 L CA 3.173 58.191 54.840 0.297 0.000 0.749 123 L CB -0.253 42.049 42.059 0.405 0.000 0.889 123 L HN -0.302 8.137 8.230 0.464 0.069 0.432 124 L N -2.254 119.077 121.223 0.181 0.000 2.010 124 L HA -0.604 3.800 4.340 0.106 0.000 0.219 124 L C 2.369 179.291 176.870 0.087 0.000 1.077 124 L CA 3.530 58.441 54.840 0.120 0.000 0.773 124 L CB -0.743 41.383 42.059 0.112 0.000 0.892 124 L HN -0.519 7.841 8.230 0.217 0.000 0.436 125 R N -2.083 118.473 120.500 0.094 0.000 2.088 125 R HA -0.479 3.889 4.340 0.047 0.000 0.232 125 R C 2.961 179.279 176.300 0.030 0.000 1.136 125 R CA 3.505 59.640 56.100 0.059 0.000 0.926 125 R CB -0.070 30.268 30.300 0.063 0.000 0.837 125 R HN 0.191 8.408 8.270 0.124 0.127 0.429 126 L N 0.047 121.290 121.223 0.034 0.000 1.997 126 L HA -0.515 3.787 4.340 -0.063 0.000 0.216 126 L C 2.186 179.044 176.870 -0.020 0.000 1.074 126 L CA 3.168 57.997 54.840 -0.017 0.000 0.763 126 L CB -0.697 41.358 42.059 -0.008 0.000 0.890 126 L HN 0.335 8.608 8.230 0.073 0.000 0.434 127 Q N -3.610 116.200 119.800 0.017 0.000 2.197 127 Q HA -0.498 3.838 4.340 -0.007 0.000 0.207 127 Q C 2.631 178.630 176.000 -0.001 0.000 0.984 127 Q CA 3.302 59.111 55.803 0.010 0.000 0.869 127 Q CB -0.242 28.517 28.738 0.036 0.000 0.906 127 Q HN 0.799 8.979 8.270 0.051 0.121 0.426 128 A N -2.708 120.114 122.820 0.003 0.000 2.072 128 A HA -0.081 4.239 4.320 0.000 0.000 0.216 128 A C 1.550 179.121 177.584 -0.021 0.000 1.156 128 A CA 2.275 54.311 52.037 -0.002 0.000 0.701 128 A CB -0.607 18.398 19.000 0.009 0.000 0.816 128 A HN 0.240 8.227 8.150 0.014 0.171 0.458 129 Q N -2.323 117.452 119.800 -0.042 0.000 2.398 129 Q HA -0.102 4.204 4.340 -0.056 0.000 0.204 129 Q C 2.067 178.013 176.000 -0.089 0.000 0.932 129 Q CA 2.209 57.965 55.803 -0.078 0.000 0.916 129 Q CB 0.568 29.224 28.738 -0.137 0.000 1.024 129 Q HN -0.022 8.040 8.270 -0.040 0.184 0.504 130 V N 1.410 121.282 119.914 -0.069 0.000 2.302 130 V HA -0.404 3.669 4.120 -0.080 0.000 0.243 130 V C 1.463 177.532 176.094 -0.042 0.000 1.036 130 V CA 4.103 66.366 62.300 -0.063 0.000 1.020 130 V CB -0.309 31.482 31.823 -0.054 0.000 0.657 130 V HN 0.197 8.203 8.190 -0.054 0.152 0.453 131 R N -1.749 118.734 120.500 -0.029 0.000 2.178 131 R HA -0.561 3.768 4.340 -0.018 0.000 0.257 131 R C 2.302 178.590 176.300 -0.020 0.000 1.163 131 R CA 4.028 60.116 56.100 -0.020 0.000 0.981 131 R CB -0.266 30.026 30.300 -0.012 0.000 0.878 131 R HN -0.578 7.677 8.270 -0.026 0.000 0.454 132 K N -2.050 118.335 120.400 -0.024 0.000 2.001 132 K HA -0.243 4.068 4.320 -0.014 0.000 0.208 132 K C 2.264 178.852 176.600 -0.021 0.000 1.048 132 K CA 2.871 59.146 56.287 -0.020 0.000 0.932 132 K CB -0.700 31.787 32.500 -0.021 0.000 0.715 132 K HN -0.229 7.991 8.250 -0.030 0.011 0.437 133 A N 0.083 122.884 122.820 -0.030 0.000 1.915 133 A HA -0.339 3.969 4.320 -0.020 0.000 0.220 133 A C 2.241 179.813 177.584 -0.020 0.000 1.198 133 A CA 2.869 54.890 52.037 -0.027 0.000 0.647 133 A CB -1.001 17.976 19.000 -0.039 0.000 0.825 133 A HN -0.258 7.800 8.150 -0.043 0.066 0.456 134 L N -2.929 118.281 121.223 -0.021 0.000 2.034 134 L HA -0.295 4.035 4.340 -0.017 0.000 0.217 134 L C 1.712 178.575 176.870 -0.012 0.000 1.077 134 L CA 2.999 57.829 54.840 -0.016 0.000 0.769 134 L CB -0.232 41.818 42.059 -0.016 0.000 0.890 134 L HN -0.105 8.117 8.230 -0.025 -0.007 0.435 135 T N -3.825 110.723 114.554 -0.011 0.000 3.448 135 T HA 0.098 4.444 4.350 -0.008 0.000 0.271 135 T C -1.071 173.625 174.700 -0.007 0.000 1.002 135 T CA -0.996 61.099 62.100 -0.008 0.000 0.995 135 T CB -0.668 68.196 68.868 -0.007 0.000 1.153 135 T HN -0.129 7.999 8.240 -0.013 0.104 0.510 136 S N 0.000 115.695 115.700 -0.008 0.000 2.498 136 S HA 0.000 4.467 4.470 -0.005 0.000 0.327 136 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 136 S CB 0.000 63.197 63.200 -0.006 0.000 0.593 136 S HN 0.000 8.153 8.310 -0.009 0.151 0.517