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 1z4j_1_A DATA FIRST_RESID 34 DATA SEQUENCE RALRVLVNMD GVLADFEGGF LRKFRARFPD QPFIALEDRR GFWVSEQYGR DATA SEQUENCE LRPGLSEKAI SIWESKNFFF ELEPLPGAVE AVKEMASLQN TDVFICTSPI DATA SEQUENCE KMFKYCPYEK YAWVEKYFGP DFLEQIVLTR DKTVVSADLL IDDRPDITGA DATA SEQUENCE EPTPSWEHVL FTACHNQHLQ LQPPRRRLHS WADDWKAILD SKRP 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 34 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 34 R C 0.000 176.326 176.300 0.043 0.000 0.893 34 R CA 0.000 56.121 56.100 0.034 0.000 0.921 34 R CB 0.000 30.318 30.300 0.029 0.000 0.687 35 A N 2.921 125.771 122.820 0.050 0.000 2.409 35 A HA 0.403 4.723 4.320 0.001 0.000 0.262 35 A C -0.040 177.588 177.584 0.073 0.000 1.113 35 A CA -0.274 51.799 52.037 0.061 0.000 0.790 35 A CB 0.232 19.270 19.000 0.064 0.000 1.046 35 A HN 0.251 8.401 8.150 -0.000 0.000 0.496 36 L N 2.369 123.640 121.223 0.080 0.000 2.455 36 L HA 0.278 4.618 4.340 0.001 0.000 0.272 36 L C 0.743 177.681 176.870 0.114 0.000 1.174 36 L CA 0.646 55.542 54.840 0.094 0.000 0.869 36 L CB 0.287 42.406 42.059 0.099 0.000 1.130 36 L HN 0.741 8.971 8.230 -0.000 0.000 0.474 37 R N 4.079 124.654 120.500 0.125 0.000 2.393 37 R HA 0.664 5.005 4.340 0.001 0.000 0.315 37 R C -1.809 174.585 176.300 0.157 0.000 0.952 37 R CA -0.654 55.543 56.100 0.162 0.000 0.842 37 R CB 1.280 31.669 30.300 0.148 0.000 1.163 37 R HN 0.543 8.813 8.270 -0.000 0.000 0.450 38 V N 6.497 126.513 119.914 0.170 0.000 2.487 38 V HA 0.365 4.486 4.120 0.001 0.000 0.298 38 V C -0.185 175.987 176.094 0.129 0.000 1.028 38 V CA -0.839 61.541 62.300 0.133 0.000 0.860 38 V CB 1.751 33.649 31.823 0.125 0.000 0.991 38 V HN 0.661 8.851 8.190 -0.000 0.000 0.427 39 L N 5.238 126.494 121.223 0.055 0.000 2.265 39 L HA 0.572 4.912 4.340 0.001 0.000 0.288 39 L C -0.502 176.347 176.870 -0.035 0.000 1.058 39 L CA -0.592 54.250 54.840 0.004 0.000 0.809 39 L CB 1.493 43.479 42.059 -0.122 0.000 1.179 39 L HN 0.360 8.590 8.230 -0.000 0.000 0.429 40 V N 3.509 123.417 119.914 -0.010 0.000 2.384 40 V HA 0.189 4.310 4.120 0.001 0.000 0.287 40 V C 0.396 176.453 176.094 -0.063 0.000 1.020 40 V CA -0.700 61.593 62.300 -0.012 0.000 0.850 40 V CB 1.451 33.284 31.823 0.017 0.000 0.987 40 V HN 0.784 8.974 8.190 -0.000 0.000 0.436 41 N N 3.621 122.260 118.700 -0.102 0.000 2.453 41 N HA 0.138 4.879 4.740 0.001 0.000 0.253 41 N C 0.751 176.191 175.510 -0.115 0.000 1.252 41 N CA -0.199 52.773 53.050 -0.129 0.000 0.917 41 N CB 1.099 39.494 38.487 -0.154 0.000 1.117 41 N HN 0.744 9.124 8.380 -0.000 0.000 0.442 42 M N 1.594 121.120 119.600 -0.124 0.000 2.329 42 M HA 0.043 4.523 4.480 0.001 0.000 0.244 42 M C -0.266 175.939 176.300 -0.158 0.000 1.156 42 M CA 0.726 55.934 55.300 -0.153 0.000 1.192 42 M CB 0.003 32.497 32.600 -0.177 0.000 1.241 42 M HN 0.475 8.765 8.290 -0.000 0.000 0.465 43 D N 0.643 120.974 120.400 -0.114 0.000 2.417 43 D HA 0.220 4.861 4.640 0.001 0.000 0.250 43 D C 0.720 176.990 176.300 -0.049 0.000 1.166 43 D CA 1.377 55.343 54.000 -0.056 0.000 0.881 43 D CB 0.813 41.569 40.800 -0.072 0.000 1.164 43 D HN 0.814 9.184 8.370 -0.000 0.000 0.467 44 G N 1.111 109.921 108.800 0.017 0.000 2.176 44 G HA2 -0.281 3.679 3.960 0.001 0.000 0.253 44 G HA3 -0.281 3.679 3.960 0.001 0.000 0.253 44 G C 0.751 175.643 174.900 -0.014 0.000 0.979 44 G CA 0.339 45.484 45.100 0.074 0.000 0.641 44 G HN 0.476 8.766 8.290 -0.000 0.000 0.530 45 V N -0.714 119.095 119.914 -0.174 0.000 3.177 45 V HA 0.335 4.455 4.120 0.001 0.000 0.219 45 V C 2.276 178.283 176.094 -0.146 0.000 1.344 45 V CA 1.131 63.105 62.300 -0.543 0.000 1.324 45 V CB -0.072 31.446 31.823 -0.509 0.000 1.165 45 V HN 0.200 8.390 8.190 -0.000 0.000 0.510 46 L N 0.242 121.431 121.223 -0.057 0.000 2.286 46 L HA 0.527 4.868 4.340 0.001 0.000 0.203 46 L C 1.039 177.938 176.870 0.047 0.000 1.068 46 L CA 0.978 55.843 54.840 0.041 0.000 0.811 46 L CB -0.008 42.103 42.059 0.088 0.000 0.989 46 L HN 0.305 8.535 8.230 -0.000 0.000 0.467 47 A N -0.218 122.516 122.820 -0.143 0.000 2.331 47 A HA 0.320 4.640 4.320 0.001 0.000 0.320 47 A C -1.024 176.544 177.584 -0.027 0.000 1.138 47 A CA -0.414 51.501 52.037 -0.202 0.000 0.790 47 A CB 0.894 19.483 19.000 -0.685 0.000 1.206 47 A HN 0.069 8.219 8.150 -0.000 0.000 0.470 48 D N 2.484 122.902 120.400 0.030 0.000 2.551 48 D HA 0.103 4.743 4.640 0.001 0.000 0.223 48 D C 0.593 176.948 176.300 0.092 0.000 1.144 48 D CA -0.250 53.800 54.000 0.084 0.000 1.025 48 D CB -0.561 40.284 40.800 0.076 0.000 1.085 48 D HN 0.423 8.793 8.370 -0.000 0.000 0.506 49 F N 2.377 122.324 119.950 -0.005 0.000 2.134 49 F HA -0.126 4.401 4.527 0.001 0.000 0.299 49 F C 1.900 177.810 175.800 0.182 0.000 1.097 49 F CA 1.305 59.341 58.000 0.059 0.000 1.264 49 F CB 0.364 39.380 39.000 0.025 0.000 1.001 49 F HN 0.237 8.537 8.300 -0.000 0.000 0.479 50 E N 0.115 120.561 120.200 0.410 0.000 2.047 50 E HA -0.135 4.216 4.350 0.001 0.000 0.191 50 E C 2.506 179.285 176.600 0.297 0.000 0.987 50 E CA 1.188 57.813 56.400 0.375 0.000 0.799 50 E CB -1.024 28.863 29.700 0.312 0.000 0.752 50 E HN 0.538 8.898 8.360 -0.000 0.000 0.449 51 G N 0.911 109.830 108.800 0.198 0.000 2.408 51 G HA2 -0.198 3.763 3.960 0.001 0.000 0.217 51 G HA3 -0.198 3.763 3.960 0.001 0.000 0.217 51 G C 1.655 176.608 174.900 0.089 0.000 1.150 51 G CA 0.928 46.109 45.100 0.134 0.000 0.776 51 G HN 0.383 8.673 8.290 -0.000 0.000 0.542 52 G N 0.499 109.328 108.800 0.050 0.000 2.404 52 G HA2 -0.158 3.803 3.960 0.001 0.000 0.215 52 G HA3 -0.158 3.803 3.960 0.001 0.000 0.215 52 G C 1.606 176.586 174.900 0.134 0.000 1.174 52 G CA 0.919 46.003 45.100 -0.026 0.000 0.780 52 G HN 0.364 8.654 8.290 -0.000 0.000 0.537 53 F N 1.176 121.209 119.950 0.138 0.000 2.095 53 F HA -0.057 4.471 4.527 0.001 0.000 0.298 53 F C 2.238 178.126 175.800 0.148 0.000 1.104 53 F CA 1.555 59.654 58.000 0.164 0.000 1.232 53 F CB -0.415 38.579 39.000 -0.009 0.000 0.987 53 F HN 0.114 8.414 8.300 -0.000 0.000 0.475 54 L N 1.062 122.277 121.223 -0.013 0.000 2.046 54 L HA -0.126 4.215 4.340 0.001 0.000 0.208 54 L C 2.627 179.417 176.870 -0.134 0.000 1.077 54 L CA 2.099 56.887 54.840 -0.087 0.000 0.747 54 L CB -1.016 41.133 42.059 0.149 0.000 0.896 54 L HN 0.266 8.496 8.230 -0.000 0.000 0.432 55 R N -0.350 120.102 120.500 -0.080 0.000 2.073 55 R HA -0.189 4.151 4.340 0.001 0.000 0.234 55 R C 2.295 178.527 176.300 -0.113 0.000 1.134 55 R CA 1.958 58.006 56.100 -0.087 0.000 0.952 55 R CB -0.185 30.085 30.300 -0.050 0.000 0.850 55 R HN 0.338 8.608 8.270 -0.000 0.000 0.433 56 K N -0.666 119.669 120.400 -0.109 0.000 2.217 56 K HA -0.122 4.199 4.320 0.001 0.000 0.202 56 K C 1.843 178.324 176.600 -0.198 0.000 1.051 56 K CA 1.196 57.411 56.287 -0.119 0.000 0.952 56 K CB -0.169 32.324 32.500 -0.011 0.000 0.736 56 K HN 0.156 8.406 8.250 -0.000 0.000 0.453 57 F N 2.065 121.743 119.950 -0.453 0.000 2.084 57 F HA -0.154 4.374 4.527 0.001 0.000 0.296 57 F C 2.124 177.840 175.800 -0.140 0.000 1.111 57 F CA 1.380 59.163 58.000 -0.362 0.000 1.224 57 F CB 0.076 38.642 39.000 -0.723 0.000 0.991 57 F HN -0.165 8.135 8.300 -0.000 0.000 0.471 58 R N 0.210 120.696 120.500 -0.024 0.000 2.105 58 R HA -0.156 4.184 4.340 0.001 0.000 0.239 58 R C 2.389 178.587 176.300 -0.171 0.000 1.135 58 R CA 1.231 57.270 56.100 -0.103 0.000 0.967 58 R CB -0.867 29.302 30.300 -0.217 0.000 0.861 58 R HN 0.422 8.692 8.270 -0.000 0.000 0.442 59 A N 0.903 123.609 122.820 -0.190 0.000 1.898 59 A HA -0.138 4.183 4.320 0.001 0.000 0.216 59 A C 2.129 179.550 177.584 -0.273 0.000 1.181 59 A CA 1.095 53.018 52.037 -0.189 0.000 0.620 59 A CB -0.325 18.581 19.000 -0.157 0.000 0.819 59 A HN 0.184 8.334 8.150 -0.000 0.000 0.442 60 R N -2.277 117.968 120.500 -0.425 0.000 2.119 60 R HA 0.034 4.375 4.340 0.001 0.000 0.222 60 R C -0.525 175.272 176.300 -0.837 0.000 1.088 60 R CA 0.766 56.451 56.100 -0.692 0.000 0.984 60 R CB 0.017 29.727 30.300 -0.982 0.000 0.884 60 R HN 0.412 8.682 8.270 -0.000 0.000 0.447 61 F N 0.538 120.239 119.950 -0.415 0.000 2.597 61 F HA 0.355 4.883 4.527 0.001 0.000 0.336 61 F C -1.778 173.861 175.800 -0.269 0.000 1.432 61 F CA -2.562 55.183 58.000 -0.425 0.000 1.120 61 F CB 1.715 40.238 39.000 -0.795 0.000 1.253 61 F HN -0.048 8.252 8.300 -0.000 0.000 0.546 62 P HA -0.111 4.309 4.420 -0.000 0.000 0.225 62 P C 0.360 177.708 177.300 0.080 0.000 1.148 62 P CA 1.334 64.440 63.100 0.010 0.000 0.779 62 P CB 0.436 32.123 31.700 -0.022 0.000 0.780 63 D N -1.323 119.127 120.400 0.085 0.000 2.363 63 D HA 0.064 4.704 4.640 0.001 0.000 0.214 63 D C 0.742 177.114 176.300 0.121 0.000 1.093 63 D CA 0.377 54.433 54.000 0.094 0.000 0.837 63 D CB 0.132 40.971 40.800 0.065 0.000 0.948 63 D HN 0.199 8.569 8.370 -0.000 0.000 0.507 64 Q N 1.268 121.168 119.800 0.166 0.000 2.214 64 Q HA 0.361 4.702 4.340 0.001 0.000 0.251 64 Q C -2.161 174.043 176.000 0.340 0.000 0.936 64 Q CA -1.777 54.157 55.803 0.218 0.000 0.894 64 Q CB 1.395 30.262 28.738 0.215 0.000 1.252 64 Q HN 0.085 8.355 8.270 -0.000 0.000 0.448 65 P HA 0.270 4.690 4.420 -0.000 0.000 0.274 65 P C -0.929 176.574 177.300 0.339 0.000 1.237 65 P CA -0.107 63.094 63.100 0.169 0.000 0.793 65 P CB 0.466 32.171 31.700 0.008 0.000 0.977 66 F N -1.005 119.035 119.950 0.149 0.000 2.675 66 F HA 0.712 5.239 4.527 0.001 0.000 0.324 66 F C -0.853 174.899 175.800 -0.081 0.000 1.106 66 F CA -1.576 56.491 58.000 0.112 0.000 0.970 66 F CB 0.932 40.122 39.000 0.315 0.000 1.385 66 F HN 0.011 8.311 8.300 -0.000 0.000 0.489 67 I N 2.272 122.905 120.570 0.106 0.000 2.354 67 I HA 0.531 4.702 4.170 0.001 0.000 0.286 67 I C 0.154 176.464 176.117 0.322 0.000 1.007 67 I CA -1.013 60.298 61.300 0.019 0.000 1.167 67 I CB 1.296 39.213 38.000 -0.139 0.000 1.320 67 I HN 0.930 9.140 8.210 -0.000 0.000 0.458 68 A N 6.404 129.379 122.820 0.258 0.000 2.466 68 A HA 0.274 4.594 4.320 0.001 0.000 0.238 68 A C 1.227 178.947 177.584 0.226 0.000 1.074 68 A CA -0.102 52.125 52.037 0.316 0.000 0.774 68 A CB 0.399 19.536 19.000 0.228 0.000 1.015 68 A HN 0.882 9.032 8.150 -0.000 0.000 0.498 69 L N 0.558 121.911 121.223 0.216 0.000 2.131 69 L HA -0.199 4.142 4.340 0.001 0.000 0.210 69 L C 2.565 179.524 176.870 0.150 0.000 1.092 69 L CA 2.017 56.970 54.840 0.187 0.000 0.759 69 L CB -0.596 41.562 42.059 0.164 0.000 0.903 69 L HN 1.037 9.267 8.230 -0.000 0.000 0.435 70 E N -0.259 120.020 120.200 0.132 0.000 2.265 70 E HA -0.218 4.132 4.350 0.001 0.000 0.196 70 E C 0.751 177.431 176.600 0.132 0.000 0.996 70 E CA 1.315 57.789 56.400 0.124 0.000 0.832 70 E CB -0.110 29.654 29.700 0.106 0.000 0.756 70 E HN 0.459 8.819 8.360 -0.000 0.000 0.491 71 D N 0.394 120.860 120.400 0.111 0.000 2.349 71 D HA 0.062 4.702 4.640 0.001 0.000 0.214 71 D C 0.100 176.455 176.300 0.092 0.000 1.063 71 D CA 0.000 54.048 54.000 0.079 0.000 0.847 71 D CB 0.159 40.978 40.800 0.032 0.000 0.933 71 D HN 0.006 8.376 8.370 -0.000 0.000 0.513 72 R N 1.770 122.351 120.500 0.134 0.000 2.489 72 R HA 0.237 4.577 4.340 0.001 0.000 0.287 72 R C 0.420 176.818 176.300 0.163 0.000 1.053 72 R CA 0.189 56.383 56.100 0.156 0.000 1.036 72 R CB 0.760 31.181 30.300 0.202 0.000 0.966 72 R HN -0.047 8.223 8.270 -0.000 0.000 0.432 73 R N 0.642 121.230 120.500 0.147 0.000 2.604 73 R HA 0.471 4.812 4.340 0.001 0.000 0.281 73 R C -0.302 176.084 176.300 0.143 0.000 1.020 73 R CA -0.539 55.652 56.100 0.152 0.000 0.899 73 R CB 2.221 32.587 30.300 0.110 0.000 1.205 73 R HN 0.861 9.131 8.270 -0.000 0.000 0.450 74 G N 1.542 110.440 108.800 0.163 0.000 2.777 74 G HA2 -0.281 3.679 3.960 0.001 0.000 0.686 74 G HA3 -0.281 3.679 3.960 0.001 0.000 0.686 74 G C 0.054 174.964 174.900 0.017 0.000 1.177 74 G CA -0.181 44.997 45.100 0.129 0.000 0.775 74 G HN 0.545 8.835 8.290 -0.000 0.000 0.613 75 F N 1.101 120.886 119.950 -0.275 0.000 2.095 75 F HA 0.147 4.675 4.527 0.000 0.000 0.298 75 F C 1.626 177.040 175.800 -0.643 0.000 1.104 75 F CA 1.530 59.084 58.000 -0.743 0.000 1.232 75 F CB -0.058 38.441 39.000 -0.836 0.000 0.987 75 F HN 0.498 8.798 8.300 -0.000 0.000 0.475 76 W N 0.795 121.961 121.300 -0.224 0.000 2.481 76 W HA 0.342 5.002 4.660 0.000 0.000 0.320 76 W C 1.078 177.489 176.519 -0.180 0.000 1.209 76 W CA -0.758 56.424 57.345 -0.271 0.000 1.400 76 W CB 0.532 29.973 29.460 -0.030 0.000 1.361 76 W HN -0.277 7.903 8.180 -0.000 0.000 0.456 77 V N 2.444 122.337 119.914 -0.035 0.000 2.278 77 V HA -0.399 3.721 4.120 0.001 0.000 0.251 77 V C 2.331 178.539 176.094 0.192 0.000 1.062 77 V CA 2.735 65.049 62.300 0.024 0.000 1.038 77 V CB -0.912 30.779 31.823 -0.221 0.000 0.646 77 V HN 0.787 8.977 8.190 -0.000 0.000 0.447 78 S N -0.624 115.240 115.700 0.273 0.000 2.402 78 S HA -0.205 4.265 4.470 0.001 0.000 0.229 78 S C 1.760 176.471 174.600 0.185 0.000 1.021 78 S CA 1.511 59.842 58.200 0.219 0.000 0.974 78 S CB -0.442 62.902 63.200 0.241 0.000 0.800 78 S HN 0.735 9.045 8.310 -0.000 0.000 0.484 79 E N 1.052 121.367 120.200 0.192 0.000 2.072 79 E HA -0.186 4.165 4.350 0.001 0.000 0.191 79 E C 2.344 179.031 176.600 0.144 0.000 0.985 79 E CA 1.236 57.726 56.400 0.149 0.000 0.801 79 E CB -0.227 29.580 29.700 0.179 0.000 0.750 79 E HN 0.700 9.060 8.360 -0.000 0.000 0.452 80 Q N -0.096 119.808 119.800 0.172 0.000 2.119 80 Q HA -0.163 4.178 4.340 0.001 0.000 0.201 80 Q C 1.721 177.762 176.000 0.069 0.000 0.972 80 Q CA 1.166 57.035 55.803 0.110 0.000 0.847 80 Q CB -0.014 28.785 28.738 0.102 0.000 0.903 80 Q HN 0.369 8.639 8.270 -0.000 0.000 0.433 81 Y N -0.694 119.615 120.300 0.016 0.000 2.274 81 Y HA -0.131 4.420 4.550 0.001 0.000 0.290 81 Y C 2.310 178.213 175.900 0.005 0.000 1.145 81 Y CA 0.983 59.080 58.100 -0.005 0.000 1.203 81 Y CB -0.337 38.099 38.460 -0.040 0.000 0.984 81 Y HN 0.289 8.569 8.280 -0.000 0.000 0.533 82 G N -0.392 108.498 108.800 0.151 0.000 2.422 82 G HA2 -0.268 3.692 3.960 0.001 0.000 0.218 82 G HA3 -0.268 3.692 3.960 0.001 0.000 0.218 82 G C 1.676 176.604 174.900 0.046 0.000 1.146 82 G CA 0.759 45.907 45.100 0.081 0.000 0.769 82 G HN 0.257 8.547 8.290 -0.000 0.000 0.547 83 R N -0.923 119.599 120.500 0.037 0.000 2.148 83 R HA 0.163 4.504 4.340 0.001 0.000 0.223 83 R C 2.353 178.647 176.300 -0.010 0.000 1.088 83 R CA 0.411 56.519 56.100 0.013 0.000 0.985 83 R CB -0.297 30.011 30.300 0.014 0.000 0.880 83 R HN 0.357 8.627 8.270 -0.000 0.000 0.451 84 L N 0.234 121.438 121.223 -0.032 0.000 2.056 84 L HA -0.023 4.318 4.340 0.001 0.000 0.207 84 L C -0.182 176.674 176.870 -0.024 0.000 1.078 84 L CA 1.562 56.365 54.840 -0.062 0.000 0.749 84 L CB 0.078 42.045 42.059 -0.154 0.000 0.901 84 L HN 0.059 8.289 8.230 -0.000 0.000 0.433 85 R N -3.059 117.445 120.500 0.007 0.000 2.687 85 R HA 0.437 4.777 4.340 0.001 0.000 0.265 85 R C -2.765 173.550 176.300 0.024 0.000 1.048 85 R CA -1.662 54.447 56.100 0.015 0.000 0.884 85 R CB -0.599 29.711 30.300 0.017 0.000 1.258 85 R HN -0.356 7.914 8.270 -0.000 0.000 0.469 86 P HA 0.041 4.461 4.420 -0.000 0.000 0.261 86 P C 0.677 177.980 177.300 0.005 0.000 1.173 86 P CA 1.819 64.925 63.100 0.009 0.000 0.760 86 P CB 0.590 32.292 31.700 0.004 0.000 0.783 87 G N 2.035 110.834 108.800 -0.001 0.000 2.241 87 G HA2 -0.307 3.654 3.960 0.001 0.000 0.244 87 G HA3 -0.307 3.654 3.960 0.001 0.000 0.244 87 G C 0.703 175.587 174.900 -0.027 0.000 0.998 87 G CA 0.128 45.215 45.100 -0.021 0.000 0.621 87 G HN 0.500 8.790 8.290 -0.000 0.000 0.519 88 L N 1.588 122.825 121.223 0.024 0.000 2.313 88 L HA 0.314 4.655 4.340 0.001 0.000 0.214 88 L C 2.799 179.718 176.870 0.083 0.000 1.119 88 L CA 2.479 57.372 54.840 0.087 0.000 0.809 88 L CB -0.408 41.767 42.059 0.194 0.000 0.933 88 L HN 0.424 8.654 8.230 -0.000 0.000 0.449 89 S N -0.446 115.285 115.700 0.053 0.000 2.356 89 S HA -0.218 4.253 4.470 0.001 0.000 0.223 89 S C 1.881 176.444 174.600 -0.062 0.000 1.032 89 S CA 1.682 59.893 58.200 0.019 0.000 1.005 89 S CB -0.025 63.188 63.200 0.022 0.000 0.867 89 S HN 0.491 8.801 8.310 -0.000 0.000 0.449 90 E N 1.039 121.203 120.200 -0.060 0.000 2.106 90 E HA -0.011 4.340 4.350 0.001 0.000 0.192 90 E C 2.214 178.742 176.600 -0.121 0.000 0.984 90 E CA 1.060 57.408 56.400 -0.087 0.000 0.806 90 E CB -0.105 29.560 29.700 -0.058 0.000 0.750 90 E HN 0.529 8.889 8.360 -0.000 0.000 0.458 91 K N 0.249 120.573 120.400 -0.127 0.000 2.057 91 K HA -0.029 4.291 4.320 0.001 0.000 0.206 91 K C 2.176 178.782 176.600 0.009 0.000 1.050 91 K CA 1.052 57.231 56.287 -0.179 0.000 0.935 91 K CB -0.169 31.953 32.500 -0.630 0.000 0.715 91 K HN 0.111 8.361 8.250 -0.000 0.000 0.439 92 A N 1.644 124.454 122.820 -0.017 0.000 1.883 92 A HA -0.178 4.142 4.320 0.001 0.000 0.217 92 A C 2.135 179.236 177.584 -0.805 0.000 1.186 92 A CA 1.429 53.383 52.037 -0.137 0.000 0.624 92 A CB -0.680 18.075 19.000 -0.408 0.000 0.822 92 A HN 0.187 8.337 8.150 -0.000 0.000 0.444 93 I N 0.846 120.876 120.570 -0.901 0.000 2.264 93 I HA -0.281 3.890 4.170 0.001 0.000 0.248 93 I C 2.814 178.378 176.117 -0.923 0.000 1.111 93 I CA 1.612 62.148 61.300 -1.274 0.000 1.382 93 I CB -0.207 37.517 38.000 -0.460 0.000 1.060 93 I HN 0.531 8.741 8.210 -0.000 0.000 0.418 94 S N 0.866 116.316 115.700 -0.418 0.000 2.442 94 S HA -0.129 4.341 4.470 0.001 0.000 0.236 94 S C 1.944 176.432 174.600 -0.186 0.000 1.007 94 S CA 0.687 58.772 58.200 -0.191 0.000 0.965 94 S CB -0.422 62.775 63.200 -0.006 0.000 0.773 94 S HN 0.286 8.596 8.310 -0.000 0.000 0.504 95 I N 1.490 121.905 120.570 -0.258 0.000 2.163 95 I HA -0.038 4.133 4.170 0.001 0.000 0.240 95 I C 2.546 178.407 176.117 -0.427 0.000 1.081 95 I CA 1.025 62.185 61.300 -0.233 0.000 1.353 95 I CB -1.901 36.041 38.000 -0.096 0.000 1.054 95 I HN 0.711 8.921 8.210 -0.000 0.000 0.407 96 W N 1.628 122.588 121.300 -0.566 0.000 2.678 96 W HA 0.104 4.764 4.660 0.000 0.000 0.256 96 W C 1.712 178.195 176.519 -0.061 0.000 1.280 96 W CA 0.015 56.859 57.345 -0.836 0.000 1.345 96 W CB -1.407 27.600 29.460 -0.756 0.000 1.118 96 W HN 0.096 8.276 8.180 -0.000 0.000 0.629 97 E N 0.962 121.222 120.200 0.101 0.000 2.427 97 E HA -0.020 4.331 4.350 0.001 0.000 0.196 97 E C 0.442 177.232 176.600 0.316 0.000 1.028 97 E CA 0.463 57.022 56.400 0.266 0.000 0.864 97 E CB -0.011 29.761 29.700 0.121 0.000 0.813 97 E HN 0.070 8.430 8.360 -0.000 0.000 0.514 98 S N 1.435 117.236 115.700 0.168 0.000 2.565 98 S HA 0.061 4.531 4.470 0.001 0.000 0.276 98 S C 0.161 174.767 174.600 0.011 0.000 1.326 98 S CA -0.375 57.879 58.200 0.091 0.000 1.045 98 S CB 1.085 64.297 63.200 0.020 0.000 0.918 98 S HN 0.119 8.429 8.310 -0.000 0.000 0.505 99 K N 2.010 122.148 120.400 -0.436 0.000 2.550 99 K HA -0.097 4.223 4.320 0.001 0.000 0.280 99 K C 0.287 176.813 176.600 -0.123 0.000 0.987 99 K CA 0.422 56.291 56.287 -0.696 0.000 1.048 99 K CB 0.025 32.050 32.500 -0.792 0.000 0.879 99 K HN 0.649 8.899 8.250 -0.000 0.000 0.491 100 N N 1.635 120.361 118.700 0.042 0.000 2.936 100 N HA -0.272 4.468 4.740 0.001 0.000 0.236 100 N C 0.573 176.207 175.510 0.207 0.000 0.930 100 N CA 1.355 54.520 53.050 0.192 0.000 0.966 100 N CB -1.392 37.178 38.487 0.139 0.000 1.090 100 N HN 0.618 8.998 8.380 -0.000 0.000 0.592 101 F N 0.894 120.890 119.950 0.077 0.000 2.046 101 F HA -0.055 4.472 4.527 0.001 0.000 0.297 101 F C 2.105 177.852 175.800 -0.088 0.000 1.123 101 F CA 1.782 59.751 58.000 -0.051 0.000 1.199 101 F CB -0.538 38.373 39.000 -0.148 0.000 0.972 101 F HN 0.022 8.322 8.300 -0.000 0.000 0.474 102 F N -0.936 119.116 119.950 0.171 0.000 2.186 102 F HA -0.120 4.407 4.527 0.001 0.000 0.299 102 F C 2.251 178.083 175.800 0.053 0.000 1.090 102 F CA 1.397 59.420 58.000 0.038 0.000 1.307 102 F CB -1.179 37.953 39.000 0.221 0.000 1.019 102 F HN 0.058 8.358 8.300 -0.000 0.000 0.489 103 F N 1.265 121.364 119.950 0.248 0.000 2.186 103 F HA -0.127 4.401 4.527 0.001 0.000 0.299 103 F C 1.993 177.978 175.800 0.308 0.000 1.090 103 F CA 1.557 59.734 58.000 0.296 0.000 1.307 103 F CB -0.443 38.679 39.000 0.204 0.000 1.019 103 F HN -0.011 8.289 8.300 -0.000 0.000 0.489 104 E N 0.456 120.691 120.200 0.059 0.000 2.489 104 E HA 0.068 4.419 4.350 0.001 0.000 0.193 104 E C 0.355 176.910 176.600 -0.076 0.000 1.057 104 E CA -0.241 56.126 56.400 -0.055 0.000 0.866 104 E CB -0.010 29.690 29.700 -0.001 0.000 0.916 104 E HN 0.322 8.682 8.360 -0.000 0.000 0.500 105 L N 2.406 123.570 121.223 -0.099 0.000 2.490 105 L HA -0.005 4.336 4.340 0.001 0.000 0.274 105 L C 0.817 177.804 176.870 0.195 0.000 1.201 105 L CA 0.243 55.027 54.840 -0.093 0.000 0.869 105 L CB 0.250 42.161 42.059 -0.248 0.000 1.123 105 L HN 0.009 8.239 8.230 -0.000 0.000 0.484 106 E N 3.899 124.142 120.200 0.071 0.000 2.331 106 E HA 0.255 4.605 4.350 0.001 0.000 0.272 106 E C -2.182 174.470 176.600 0.087 0.000 1.036 106 E CA -1.920 54.517 56.400 0.062 0.000 0.864 106 E CB 0.805 30.510 29.700 0.008 0.000 1.035 106 E HN 0.272 8.632 8.360 -0.000 0.000 0.408 107 P HA 0.044 4.464 4.420 -0.000 0.000 0.269 107 P C -0.077 177.222 177.300 -0.003 0.000 1.209 107 P CA 0.003 63.076 63.100 -0.045 0.000 0.776 107 P CB 0.473 31.875 31.700 -0.497 0.000 0.876 108 L N 4.570 125.836 121.223 0.071 0.000 2.452 108 L HA 0.225 4.566 4.340 0.001 0.000 0.267 108 L C -1.790 175.152 176.870 0.120 0.000 1.188 108 L CA -1.726 53.194 54.840 0.135 0.000 0.821 108 L CB -0.404 41.802 42.059 0.245 0.000 1.102 108 L HN 0.266 8.496 8.230 -0.000 0.000 0.470 109 P HA 0.016 4.436 4.420 -0.000 0.000 0.262 109 P C 0.703 178.108 177.300 0.176 0.000 1.182 109 P CA 0.908 64.078 63.100 0.118 0.000 0.761 109 P CB 0.598 32.375 31.700 0.128 0.000 0.795 110 G N 2.862 111.707 108.800 0.076 0.000 2.212 110 G HA2 -0.366 3.594 3.960 0.001 0.000 0.266 110 G HA3 -0.366 3.594 3.960 0.001 0.000 0.266 110 G C 1.187 176.004 174.900 -0.138 0.000 0.978 110 G CA 0.534 45.681 45.100 0.078 0.000 0.632 110 G HN 0.674 8.964 8.290 -0.000 0.000 0.537 111 A N -0.197 122.468 122.820 -0.258 0.000 1.873 111 A HA 0.323 4.643 4.320 0.001 0.000 0.215 111 A C 2.586 179.791 177.584 -0.631 0.000 1.186 111 A CA 2.609 54.163 52.037 -0.805 0.000 0.616 111 A CB -0.494 18.291 19.000 -0.359 0.000 0.823 111 A HN 1.064 9.214 8.150 -0.000 0.000 0.442 112 V N 0.112 119.782 119.914 -0.408 0.000 2.358 112 V HA -0.238 3.882 4.120 0.001 0.000 0.246 112 V C 2.464 178.361 176.094 -0.329 0.000 1.047 112 V CA 2.370 64.405 62.300 -0.442 0.000 1.035 112 V CB -0.920 30.520 31.823 -0.637 0.000 0.658 112 V HN 0.608 8.798 8.190 -0.000 0.000 0.452 113 E N 0.854 120.890 120.200 -0.274 0.000 2.077 113 E HA -0.153 4.197 4.350 0.001 0.000 0.193 113 E C 2.262 178.762 176.600 -0.168 0.000 0.989 113 E CA 1.536 57.837 56.400 -0.165 0.000 0.800 113 E CB -0.598 29.051 29.700 -0.084 0.000 0.746 113 E HN 0.575 8.935 8.360 -0.000 0.000 0.452 114 A N 0.543 123.174 122.820 -0.315 0.000 1.873 114 A HA -0.141 4.179 4.320 0.001 0.000 0.215 114 A C 2.490 179.640 177.584 -0.724 0.000 1.186 114 A CA 1.374 53.119 52.037 -0.487 0.000 0.616 114 A CB -0.724 17.797 19.000 -0.797 0.000 0.823 114 A HN 0.152 8.302 8.150 -0.000 0.000 0.442 115 V N 0.141 119.620 119.914 -0.724 0.000 2.427 115 V HA -0.251 3.870 4.120 0.001 0.000 0.248 115 V C 2.424 178.357 176.094 -0.269 0.000 1.051 115 V CA 2.247 64.232 62.300 -0.525 0.000 1.048 115 V CB -0.671 30.863 31.823 -0.482 0.000 0.666 115 V HN 0.531 8.721 8.190 -0.000 0.000 0.456 116 K N -0.152 120.161 120.400 -0.145 0.000 2.063 116 K HA -0.260 4.060 4.320 0.001 0.000 0.208 116 K C 2.256 178.844 176.600 -0.020 0.000 1.048 116 K CA 1.955 58.200 56.287 -0.070 0.000 0.928 116 K CB -0.182 32.280 32.500 -0.063 0.000 0.713 116 K HN 0.526 8.776 8.250 -0.000 0.000 0.442 117 E N 0.801 120.995 120.200 -0.008 0.000 2.072 117 E HA -0.190 4.160 4.350 0.001 0.000 0.191 117 E C 2.075 178.773 176.600 0.162 0.000 0.985 117 E CA 0.881 57.354 56.400 0.121 0.000 0.801 117 E CB 0.032 29.894 29.700 0.269 0.000 0.750 117 E HN 0.234 8.594 8.360 -0.000 0.000 0.452 118 M N 0.221 119.826 119.600 0.009 0.000 2.117 118 M HA -0.162 4.318 4.480 0.001 0.000 0.262 118 M C 2.196 178.543 176.300 0.078 0.000 1.065 118 M CA 1.840 57.164 55.300 0.039 0.000 1.114 118 M CB -0.091 32.312 32.600 -0.328 0.000 1.361 118 M HN 0.178 8.468 8.290 -0.000 0.000 0.408 119 A N -0.114 122.731 122.820 0.042 0.000 1.969 119 A HA -0.142 4.178 4.320 0.001 0.000 0.218 119 A C 2.147 179.778 177.584 0.078 0.000 1.169 119 A CA 1.913 53.998 52.037 0.080 0.000 0.635 119 A CB -0.974 18.153 19.000 0.211 0.000 0.810 119 A HN 0.736 8.886 8.150 -0.000 0.000 0.445 120 S N -0.497 115.256 115.700 0.088 0.000 2.515 120 S HA 0.142 4.612 4.470 0.001 0.000 0.231 120 S C 0.661 175.310 174.600 0.083 0.000 0.987 120 S CA -0.145 58.103 58.200 0.080 0.000 0.936 120 S CB -0.730 62.516 63.200 0.077 0.000 0.766 120 S HN 0.387 8.697 8.310 -0.000 0.000 0.528 121 L N 2.418 123.705 121.223 0.107 0.000 2.456 121 L HA 0.195 4.535 4.340 0.001 0.000 0.272 121 L C 0.676 177.593 176.870 0.079 0.000 1.189 121 L CA -0.583 54.323 54.840 0.109 0.000 0.846 121 L CB 0.300 42.452 42.059 0.155 0.000 1.111 121 L HN 0.273 8.503 8.230 -0.000 0.000 0.475 122 Q N 2.976 122.815 119.800 0.066 0.000 2.349 122 Q HA -0.057 4.283 4.340 0.001 0.000 0.287 122 Q C 0.307 176.341 176.000 0.058 0.000 1.044 122 Q CA 0.301 56.136 55.803 0.053 0.000 0.918 122 Q CB 0.146 28.911 28.738 0.044 0.000 1.242 122 Q HN 0.566 8.836 8.270 -0.000 0.000 0.405 123 N N 0.477 119.207 118.700 0.050 0.000 2.735 123 N HA -0.149 4.592 4.740 0.001 0.000 0.248 123 N C -1.054 174.496 175.510 0.067 0.000 1.083 123 N CA 1.182 54.263 53.050 0.053 0.000 0.703 123 N CB -1.147 37.371 38.487 0.051 0.000 1.005 123 N HN 0.465 8.845 8.380 -0.000 0.000 0.550 124 T N 0.550 115.145 114.554 0.067 0.000 3.011 124 T HA 0.286 4.637 4.350 0.001 0.000 0.303 124 T C -0.933 173.799 174.700 0.053 0.000 0.997 124 T CA -0.692 61.457 62.100 0.081 0.000 1.007 124 T CB 2.153 71.085 68.868 0.107 0.000 1.017 124 T HN -0.092 8.148 8.240 -0.000 0.000 0.443 125 D N 2.214 122.651 120.400 0.061 0.000 2.391 125 D HA 0.538 5.178 4.640 0.001 0.000 0.245 125 D C -0.587 175.716 176.300 0.006 0.000 1.069 125 D CA -0.306 53.696 54.000 0.003 0.000 0.831 125 D CB 2.212 43.078 40.800 0.111 0.000 1.204 125 D HN 0.210 8.580 8.370 -0.000 0.000 0.503 126 V N 3.033 122.837 119.914 -0.184 0.000 2.495 126 V HA 0.482 4.602 4.120 0.001 0.000 0.298 126 V C -0.562 175.263 176.094 -0.449 0.000 1.031 126 V CA -0.677 61.542 62.300 -0.134 0.000 0.871 126 V CB 0.992 32.783 31.823 -0.054 0.000 0.988 126 V HN 0.337 8.527 8.190 -0.000 0.000 0.432 127 F N 3.927 123.814 119.950 -0.105 0.000 2.508 127 F HA 0.622 5.150 4.527 0.001 0.000 0.325 127 F C 0.162 175.899 175.800 -0.105 0.000 1.090 127 F CA -0.738 57.181 58.000 -0.136 0.000 0.945 127 F CB 1.778 40.716 39.000 -0.103 0.000 1.156 127 F HN 0.235 8.536 8.300 -0.000 0.000 0.463 128 I N 2.831 123.429 120.570 0.047 0.000 2.315 128 I HA 0.244 4.414 4.170 0.001 0.000 0.291 128 I C -0.787 175.326 176.117 -0.007 0.000 1.006 128 I CA -0.394 60.904 61.300 -0.004 0.000 1.265 128 I CB 1.065 39.047 38.000 -0.031 0.000 1.387 128 I HN 0.495 8.705 8.210 -0.000 0.000 0.475 129 C N 5.839 125.114 119.300 -0.041 0.000 2.301 129 C HA 0.736 5.196 4.460 0.001 0.000 0.323 129 C C 0.058 174.991 174.990 -0.095 0.000 1.265 129 C CA 0.014 58.993 59.018 -0.065 0.000 1.503 129 C CB 0.530 28.215 27.740 -0.091 0.000 2.195 129 C HN 0.869 9.099 8.230 -0.000 0.000 0.477 130 T N 3.739 118.242 114.554 -0.085 0.000 2.916 130 T HA 0.624 4.975 4.350 0.001 0.000 0.305 130 T C -0.818 173.840 174.700 -0.070 0.000 1.119 130 T CA -0.162 61.881 62.100 -0.094 0.000 1.008 130 T CB 1.542 70.344 68.868 -0.111 0.000 1.129 130 T HN 0.670 8.910 8.240 -0.000 0.000 0.480 131 S N 4.770 120.431 115.700 -0.064 0.000 2.489 131 S HA 0.664 5.134 4.470 0.001 0.000 0.291 131 S C -2.435 172.147 174.600 -0.030 0.000 1.151 131 S CA -0.974 57.210 58.200 -0.026 0.000 1.082 131 S CB 1.412 64.612 63.200 -0.001 0.000 1.019 131 S HN 0.691 9.001 8.310 -0.000 0.000 0.492 132 P HA 0.339 4.759 4.420 -0.000 0.000 0.276 132 P C -0.021 177.319 177.300 0.067 0.000 1.244 132 P CA -0.701 62.393 63.100 -0.009 0.000 0.801 132 P CB 0.399 32.130 31.700 0.050 0.000 1.006 133 I N -1.135 119.498 120.570 0.105 0.000 3.269 133 I HA 0.141 4.311 4.170 0.001 0.000 0.287 133 I C 1.429 177.680 176.117 0.224 0.000 1.152 133 I CA -0.493 60.939 61.300 0.220 0.000 1.263 133 I CB 0.143 38.373 38.000 0.384 0.000 1.439 133 I HN 0.241 8.451 8.210 -0.000 0.000 0.637 134 K N 0.418 120.954 120.400 0.226 0.000 2.097 134 K HA 0.063 4.384 4.320 0.001 0.000 0.205 134 K C 0.834 177.564 176.600 0.217 0.000 1.050 134 K CA 1.104 57.513 56.287 0.203 0.000 0.938 134 K CB -0.052 32.538 32.500 0.150 0.000 0.718 134 K HN 0.535 8.785 8.250 -0.000 0.000 0.442 135 M N 1.810 121.507 119.600 0.161 0.000 2.143 135 M HA 0.063 4.544 4.480 0.001 0.000 0.348 135 M C -0.361 175.950 176.300 0.018 0.000 1.375 135 M CA -0.041 55.255 55.300 -0.006 0.000 1.124 135 M CB 0.150 32.766 32.600 0.026 0.000 1.669 135 M HN 0.070 8.360 8.290 -0.000 0.000 0.469 136 F N 2.323 122.302 119.950 0.048 0.000 2.639 136 F HA 0.327 4.855 4.527 0.001 0.000 0.302 136 F C 1.315 177.108 175.800 -0.011 0.000 1.097 136 F CA -0.533 57.493 58.000 0.044 0.000 1.294 136 F CB -0.396 38.626 39.000 0.036 0.000 1.027 136 F HN 0.406 8.706 8.300 -0.000 0.000 0.550 137 K N 1.120 121.352 120.400 -0.280 0.000 2.063 137 K HA -0.159 4.162 4.320 0.001 0.000 0.208 137 K C 1.005 177.448 176.600 -0.262 0.000 1.048 137 K CA 2.309 58.349 56.287 -0.412 0.000 0.928 137 K CB -0.521 31.448 32.500 -0.885 0.000 0.713 137 K HN 0.471 8.721 8.250 -0.000 0.000 0.442 138 Y N -2.094 118.347 120.300 0.236 0.000 2.581 138 Y HA 0.145 4.696 4.550 0.001 0.000 0.271 138 Y C 2.418 178.536 175.900 0.363 0.000 1.100 138 Y CA -0.122 58.175 58.100 0.329 0.000 1.281 138 Y CB -0.996 37.671 38.460 0.345 0.000 1.237 138 Y HN 0.210 8.490 8.280 -0.000 0.000 0.514 139 C N 2.474 122.022 119.300 0.414 0.000 2.442 139 C HA -0.053 4.408 4.460 0.001 0.000 0.279 139 C C -0.190 174.868 174.990 0.113 0.000 1.237 139 C CA 1.300 60.424 59.018 0.176 0.000 1.722 139 C CB -1.270 26.461 27.740 -0.016 0.000 2.056 139 C HN 0.282 8.512 8.230 -0.000 0.000 0.469 140 P HA -0.158 4.262 4.420 -0.000 0.000 0.214 140 P C 1.492 179.014 177.300 0.369 0.000 1.163 140 P CA 1.868 65.117 63.100 0.249 0.000 0.889 140 P CB -0.514 31.327 31.700 0.235 0.000 0.790 141 Y N 1.491 121.940 120.300 0.247 0.000 2.114 141 Y HA -0.236 4.315 4.550 0.001 0.000 0.282 141 Y C 2.049 178.141 175.900 0.321 0.000 1.165 141 Y CA 1.792 60.038 58.100 0.244 0.000 1.148 141 Y CB -1.032 37.538 38.460 0.183 0.000 0.972 141 Y HN 0.015 8.295 8.280 -0.000 0.000 0.504 142 E N -0.074 120.138 120.200 0.021 0.000 2.204 142 E HA -0.170 4.180 4.350 0.001 0.000 0.194 142 E C 2.106 178.835 176.600 0.214 0.000 0.989 142 E CA 1.053 57.468 56.400 0.025 0.000 0.824 142 E CB -0.067 29.861 29.700 0.381 0.000 0.756 142 E HN 0.537 8.897 8.360 -0.000 0.000 0.477 143 K N 0.017 120.521 120.400 0.173 0.000 2.057 143 K HA -0.139 4.181 4.320 0.001 0.000 0.206 143 K C 1.919 178.606 176.600 0.144 0.000 1.050 143 K CA 1.163 57.523 56.287 0.123 0.000 0.935 143 K CB -0.156 32.326 32.500 -0.030 0.000 0.715 143 K HN 0.136 8.386 8.250 -0.000 0.000 0.439 144 Y N 0.859 121.219 120.300 0.100 0.000 2.145 144 Y HA -0.240 4.311 4.550 0.001 0.000 0.286 144 Y C 2.481 178.458 175.900 0.127 0.000 1.145 144 Y CA 1.416 59.583 58.100 0.112 0.000 1.148 144 Y CB -0.518 37.992 38.460 0.084 0.000 0.981 144 Y HN 0.097 8.377 8.280 -0.000 0.000 0.507 145 A N -1.020 121.892 122.820 0.153 0.000 1.933 145 A HA -0.249 4.071 4.320 0.001 0.000 0.218 145 A C 2.031 179.864 177.584 0.415 0.000 1.175 145 A CA 1.558 53.684 52.037 0.147 0.000 0.628 145 A CB -1.353 17.523 19.000 -0.208 0.000 0.814 145 A HN 0.731 8.881 8.150 -0.000 0.000 0.444 146 W N 0.330 121.801 121.300 0.285 0.000 2.381 146 W HA -0.141 4.520 4.660 0.001 0.000 0.301 146 W C 2.050 178.703 176.519 0.224 0.000 1.205 146 W CA 2.086 59.558 57.345 0.212 0.000 1.285 146 W CB -0.115 29.460 29.460 0.192 0.000 1.133 146 W HN 0.109 8.289 8.180 -0.000 0.000 0.521 147 V N 0.540 120.793 119.914 0.567 0.000 2.343 147 V HA -0.322 3.799 4.120 0.001 0.000 0.247 147 V C 2.196 178.477 176.094 0.311 0.000 1.051 147 V CA 2.356 64.959 62.300 0.505 0.000 1.036 147 V CB -1.001 31.038 31.823 0.360 0.000 0.654 147 V HN 0.284 8.474 8.190 -0.000 0.000 0.451 148 E N 0.594 120.926 120.200 0.220 0.000 2.058 148 E HA -0.317 4.033 4.350 0.001 0.000 0.194 148 E C 2.316 178.908 176.600 -0.013 0.000 0.997 148 E CA 1.878 58.358 56.400 0.133 0.000 0.801 148 E CB -0.115 29.665 29.700 0.133 0.000 0.746 148 E HN 0.609 8.969 8.360 -0.000 0.000 0.450 149 K N -0.665 119.661 120.400 -0.124 0.000 2.032 149 K HA -0.196 4.124 4.320 0.001 0.000 0.209 149 K C 1.785 177.978 176.600 -0.678 0.000 1.048 149 K CA 1.741 57.775 56.287 -0.421 0.000 0.927 149 K CB -0.183 31.940 32.500 -0.630 0.000 0.712 149 K HN 0.181 8.431 8.250 -0.000 0.000 0.441 150 Y N -1.524 118.466 120.300 -0.516 0.000 2.503 150 Y HA 0.101 4.651 4.550 0.001 0.000 0.278 150 Y C 1.131 176.473 175.900 -0.930 0.000 1.111 150 Y CA 0.456 58.061 58.100 -0.825 0.000 1.270 150 Y CB 0.437 38.135 38.460 -1.270 0.000 1.063 150 Y HN 0.021 8.301 8.280 -0.000 0.000 0.548 151 F N -1.141 118.695 119.950 -0.189 0.000 2.784 151 F HA 0.508 5.035 4.527 0.001 0.000 0.323 151 F C 1.158 176.892 175.800 -0.110 0.000 1.085 151 F CA 0.228 58.068 58.000 -0.267 0.000 1.196 151 F CB 0.550 39.236 39.000 -0.524 0.000 1.053 151 F HN -0.080 8.220 8.300 -0.000 0.000 0.578 152 G N 1.008 109.857 108.800 0.083 0.000 2.699 152 G HA2 -0.150 3.810 3.960 0.001 0.000 0.686 152 G HA3 -0.150 3.810 3.960 0.001 0.000 0.686 152 G C -2.219 172.769 174.900 0.146 0.000 1.301 152 G CA -0.855 44.294 45.100 0.081 0.000 0.816 152 G HN -0.041 8.249 8.290 -0.000 0.000 0.595 153 P HA -0.051 4.369 4.420 -0.000 0.000 0.216 153 P C 1.241 178.615 177.300 0.124 0.000 1.150 153 P CA 1.736 64.903 63.100 0.112 0.000 0.843 153 P CB 0.077 31.823 31.700 0.076 0.000 0.787 154 D N -2.043 118.430 120.400 0.122 0.000 2.269 154 D HA -0.076 4.565 4.640 0.001 0.000 0.208 154 D C 1.520 177.871 176.300 0.085 0.000 0.963 154 D CA 0.715 54.769 54.000 0.090 0.000 0.864 154 D CB -0.762 40.086 40.800 0.079 0.000 0.936 154 D HN 0.187 8.557 8.370 -0.000 0.000 0.505 155 F N 0.722 120.679 119.950 0.011 0.000 2.604 155 F HA 0.033 4.560 4.527 0.001 0.000 0.298 155 F C 1.964 177.742 175.800 -0.036 0.000 1.131 155 F CA 0.295 58.273 58.000 -0.037 0.000 1.457 155 F CB 0.067 39.059 39.000 -0.014 0.000 1.095 155 F HN -0.098 8.202 8.300 -0.000 0.000 0.574 156 L N -0.394 120.909 121.223 0.133 0.000 2.191 156 L HA -0.205 4.135 4.340 0.001 0.000 0.212 156 L C 2.142 179.038 176.870 0.045 0.000 1.103 156 L CA 0.918 55.833 54.840 0.125 0.000 0.769 156 L CB -0.591 41.595 42.059 0.211 0.000 0.908 156 L HN 0.049 8.279 8.230 -0.000 0.000 0.438 157 E N 0.066 120.244 120.200 -0.037 0.000 2.333 157 E HA -0.186 4.165 4.350 0.001 0.000 0.198 157 E C 1.683 178.195 176.600 -0.146 0.000 1.007 157 E CA 0.800 57.161 56.400 -0.065 0.000 0.845 157 E CB -0.049 29.587 29.700 -0.106 0.000 0.766 157 E HN 0.552 8.912 8.360 -0.000 0.000 0.507 158 Q N -0.219 119.380 119.800 -0.335 0.000 2.280 158 Q HA 0.216 4.556 4.340 0.001 0.000 0.201 158 Q C 0.654 176.583 176.000 -0.119 0.000 0.890 158 Q CA -0.068 55.436 55.803 -0.498 0.000 0.947 158 Q CB 0.553 28.625 28.738 -1.111 0.000 1.081 158 Q HN 0.302 8.572 8.270 -0.000 0.000 0.502 159 I N 1.023 121.568 120.570 -0.043 0.000 2.395 159 I HA 0.155 4.325 4.170 0.001 0.000 0.289 159 I C -0.286 175.860 176.117 0.048 0.000 1.023 159 I CA -0.613 60.658 61.300 -0.048 0.000 1.350 159 I CB 1.432 39.279 38.000 -0.256 0.000 1.409 159 I HN -0.304 7.906 8.210 -0.000 0.000 0.507 160 V N 7.812 127.748 119.914 0.037 0.000 2.376 160 V HA 0.332 4.452 4.120 0.001 0.000 0.287 160 V C -0.113 175.980 176.094 -0.000 0.000 1.015 160 V CA -0.508 61.811 62.300 0.031 0.000 0.834 160 V CB 1.647 33.471 31.823 0.001 0.000 1.001 160 V HN 0.502 8.692 8.190 -0.000 0.000 0.428 161 L N 4.521 125.762 121.223 0.029 0.000 2.257 161 L HA 0.726 5.066 4.340 0.001 0.000 0.290 161 L C 0.007 176.891 176.870 0.022 0.000 1.044 161 L CA 0.309 55.164 54.840 0.026 0.000 0.810 161 L CB 1.644 43.757 42.059 0.090 0.000 1.193 161 L HN 0.782 9.012 8.230 -0.000 0.000 0.425 162 T N 3.124 117.680 114.554 0.004 0.000 2.942 162 T HA 0.314 4.665 4.350 0.001 0.000 0.327 162 T C 0.535 175.239 174.700 0.006 0.000 1.360 162 T CA -0.645 61.459 62.100 0.006 0.000 1.055 162 T CB 1.383 70.252 68.868 0.001 0.000 1.261 162 T HN 0.558 8.798 8.240 -0.000 0.000 0.485 163 R N 1.506 122.017 120.500 0.018 0.000 2.240 163 R HA 0.136 4.477 4.340 0.001 0.000 0.203 163 R C -0.082 176.231 176.300 0.023 0.000 1.011 163 R CA 0.341 56.458 56.100 0.029 0.000 1.007 163 R CB 0.042 30.369 30.300 0.045 0.000 0.911 163 R HN 0.564 8.834 8.270 -0.000 0.000 0.468 164 D N 0.573 120.985 120.400 0.020 0.000 2.462 164 D HA 0.156 4.796 4.640 0.001 0.000 0.245 164 D C 0.095 176.423 176.300 0.046 0.000 1.122 164 D CA -0.228 53.790 54.000 0.030 0.000 0.864 164 D CB 1.184 41.999 40.800 0.026 0.000 1.098 164 D HN -0.174 8.196 8.370 -0.000 0.000 0.541 165 K N 0.799 121.238 120.400 0.064 0.000 2.418 165 K HA -0.018 4.302 4.320 0.001 0.000 0.195 165 K C 1.772 178.590 176.600 0.363 0.000 1.035 165 K CA 0.785 57.142 56.287 0.117 0.000 1.003 165 K CB 0.317 32.796 32.500 -0.035 0.000 0.793 165 K HN 0.434 8.684 8.250 -0.000 0.000 0.494 166 T N -1.541 113.182 114.554 0.282 0.000 3.055 166 T HA -0.046 4.304 4.350 0.001 0.000 0.265 166 T C 1.781 176.491 174.700 0.016 0.000 1.111 166 T CA 0.761 62.956 62.100 0.158 0.000 1.118 166 T CB -0.254 68.609 68.868 -0.008 0.000 0.909 166 T HN 0.079 8.319 8.240 -0.000 0.000 0.501 167 V N -0.593 119.350 119.914 0.048 0.000 3.649 167 V HA 0.436 4.556 4.120 0.001 0.000 0.275 167 V C 0.474 176.577 176.094 0.014 0.000 1.281 167 V CA -0.642 61.658 62.300 0.001 0.000 1.143 167 V CB -0.796 31.023 31.823 -0.007 0.000 0.892 167 V HN 0.297 8.487 8.190 -0.000 0.000 0.441 168 V N 2.652 122.619 119.914 0.088 0.000 2.407 168 V HA 0.546 4.667 4.120 0.001 0.000 0.278 168 V C 0.542 176.720 176.094 0.139 0.000 1.037 168 V CA 0.265 62.606 62.300 0.069 0.000 0.900 168 V CB 1.173 33.026 31.823 0.050 0.000 0.983 168 V HN 0.632 8.822 8.190 -0.000 0.000 0.459 169 S N 3.717 119.434 115.700 0.027 0.000 2.508 169 S HA 0.938 5.409 4.470 0.001 0.000 0.284 169 S C -0.233 174.410 174.600 0.072 0.000 1.192 169 S CA 0.006 58.226 58.200 0.034 0.000 1.070 169 S CB 1.868 65.047 63.200 -0.034 0.000 1.004 169 S HN 1.582 9.892 8.310 -0.000 0.000 0.493 170 A N 1.611 124.528 122.820 0.162 0.000 2.515 170 A HA 0.539 4.859 4.320 0.001 0.000 0.292 170 A C -0.201 177.497 177.584 0.189 0.000 1.065 170 A CA -0.657 51.472 52.037 0.154 0.000 0.641 170 A CB 0.006 19.103 19.000 0.162 0.000 1.306 170 A HN 0.689 8.839 8.150 -0.000 0.000 0.441 171 D N -0.526 119.968 120.400 0.157 0.000 2.213 171 D HA 0.167 4.808 4.640 0.001 0.000 0.205 171 D C 0.072 176.489 176.300 0.194 0.000 0.961 171 D CA 1.319 55.411 54.000 0.152 0.000 0.853 171 D CB 0.308 41.178 40.800 0.116 0.000 0.967 171 D HN 0.353 8.723 8.370 -0.000 0.000 0.496 172 L N 0.740 122.071 121.223 0.180 0.000 2.409 172 L HA 0.402 4.743 4.340 0.001 0.000 0.262 172 L C -1.328 175.563 176.870 0.036 0.000 0.992 172 L CA -0.946 53.981 54.840 0.146 0.000 0.817 172 L CB 3.032 45.161 42.059 0.118 0.000 1.350 172 L HN -0.164 8.066 8.230 -0.000 0.000 0.411 173 L N 3.928 125.098 121.223 -0.088 0.000 2.372 173 L HA 0.586 4.926 4.340 0.001 0.000 0.274 173 L C -1.088 175.683 176.870 -0.164 0.000 0.988 173 L CA 0.032 54.655 54.840 -0.362 0.000 0.833 173 L CB 1.409 42.799 42.059 -1.115 0.000 1.236 173 L HN 0.386 8.616 8.230 -0.000 0.000 0.410 174 I N 5.214 125.726 120.570 -0.096 0.000 2.307 174 I HA 0.438 4.608 4.170 0.001 0.000 0.289 174 I C -0.719 175.365 176.117 -0.056 0.000 1.021 174 I CA -0.116 61.180 61.300 -0.007 0.000 1.224 174 I CB 1.066 39.079 38.000 0.023 0.000 1.376 174 I HN 0.566 8.776 8.210 -0.000 0.000 0.470 175 D N 5.615 126.031 120.400 0.027 0.000 2.927 175 D HA 0.038 4.678 4.640 0.001 0.000 0.219 175 D C -0.027 176.363 176.300 0.151 0.000 1.248 175 D CA -0.337 53.642 54.000 -0.036 0.000 0.861 175 D CB 2.176 42.782 40.800 -0.323 0.000 1.677 175 D HN 0.622 8.992 8.370 -0.000 0.000 0.511 176 D N 2.361 122.838 120.400 0.128 0.000 2.347 176 D HA -0.084 4.556 4.640 0.001 0.000 0.215 176 D C 0.662 177.116 176.300 0.257 0.000 0.976 176 D CA -0.054 54.080 54.000 0.222 0.000 0.884 176 D CB 0.375 41.340 40.800 0.275 0.000 0.915 176 D HN 0.175 8.545 8.370 -0.000 0.000 0.526 177 R N 1.267 121.801 120.500 0.056 0.000 2.316 177 R HA 0.157 4.498 4.340 0.001 0.000 0.314 177 R C -1.788 174.495 176.300 -0.029 0.000 1.069 177 R CA -1.175 54.782 56.100 -0.239 0.000 0.959 177 R CB 1.159 30.916 30.300 -0.906 0.000 0.987 177 R HN -0.173 8.097 8.270 -0.000 0.000 0.446 178 P HA -0.094 4.326 4.420 -0.000 0.000 0.215 178 P C -0.757 176.591 177.300 0.079 0.000 1.157 178 P CA 1.275 64.413 63.100 0.063 0.000 0.863 178 P CB 0.328 32.052 31.700 0.040 0.000 0.787 179 D N 0.002 120.381 120.400 -0.035 0.000 2.414 179 D HA 0.303 4.944 4.640 0.001 0.000 0.232 179 D C -0.118 176.136 176.300 -0.078 0.000 1.070 179 D CA -0.097 53.897 54.000 -0.011 0.000 0.839 179 D CB 1.111 41.905 40.800 -0.010 0.000 1.079 179 D HN 0.101 8.471 8.370 -0.000 0.000 0.521 180 I N 2.442 123.006 120.570 -0.010 0.000 2.405 180 I HA 0.170 4.340 4.170 0.001 0.000 0.280 180 I C 0.392 176.560 176.117 0.085 0.000 1.027 180 I CA -0.313 60.961 61.300 -0.042 0.000 1.161 180 I CB 1.375 39.274 38.000 -0.169 0.000 1.300 180 I HN 0.213 8.423 8.210 -0.000 0.000 0.463 181 T N 1.533 116.112 114.554 0.041 0.000 2.864 181 T HA 0.979 5.330 4.350 0.001 0.000 0.289 181 T C -0.112 174.610 174.700 0.037 0.000 1.082 181 T CA -0.720 61.407 62.100 0.046 0.000 1.009 181 T CB 2.690 71.575 68.868 0.028 0.000 1.234 181 T HN 0.738 8.978 8.240 -0.000 0.000 0.526 182 G N -0.772 108.040 108.800 0.021 0.000 2.356 182 G HA2 0.550 4.510 3.960 0.001 0.000 0.281 182 G HA3 0.550 4.510 3.960 0.001 0.000 0.281 182 G C 0.630 175.527 174.900 -0.004 0.000 1.246 182 G CA 0.025 45.135 45.100 0.016 0.000 0.889 182 G HN 1.117 9.407 8.290 -0.000 0.000 0.486 183 A N -0.841 121.975 122.820 -0.007 0.000 2.015 183 A HA 0.303 4.624 4.320 0.001 0.000 0.219 183 A C 1.122 178.683 177.584 -0.037 0.000 1.163 183 A CA 2.298 54.324 52.037 -0.018 0.000 0.646 183 A CB -0.266 18.726 19.000 -0.014 0.000 0.806 183 A HN 0.650 8.800 8.150 -0.000 0.000 0.448 184 E N 0.565 120.731 120.200 -0.057 0.000 2.046 184 E HA 0.275 4.625 4.350 0.001 0.000 0.279 184 E C -1.705 174.828 176.600 -0.112 0.000 0.989 184 E CA -2.750 53.594 56.400 -0.093 0.000 0.798 184 E CB 1.049 30.669 29.700 -0.132 0.000 1.086 184 E HN 0.177 8.537 8.360 -0.000 0.000 0.399 185 P HA -0.057 4.363 4.420 -0.000 0.000 0.223 185 P C -0.111 177.116 177.300 -0.121 0.000 1.151 185 P CA 0.764 63.812 63.100 -0.086 0.000 0.787 185 P CB 0.203 31.867 31.700 -0.060 0.000 0.788 186 T N -2.719 111.742 114.554 -0.155 0.000 3.241 186 T HA 0.471 4.822 4.350 0.001 0.000 0.387 186 T C -2.937 171.586 174.700 -0.295 0.000 1.451 186 T CA -2.338 59.648 62.100 -0.190 0.000 1.363 186 T CB 0.576 69.367 68.868 -0.129 0.000 1.074 186 T HN -0.132 8.108 8.240 -0.000 0.000 0.598 187 P HA 0.125 4.545 4.420 -0.000 0.000 0.267 187 P C 1.178 178.089 177.300 -0.648 0.000 1.200 187 P CA -0.219 62.384 63.100 -0.827 0.000 0.772 187 P CB 0.774 31.404 31.700 -1.784 0.000 0.855 188 S N 1.090 116.455 115.700 -0.558 0.000 2.436 188 S HA -0.018 4.452 4.470 0.001 0.000 0.228 188 S C 0.670 175.194 174.600 -0.126 0.000 1.014 188 S CA -0.157 57.888 58.200 -0.259 0.000 0.950 188 S CB -0.656 62.459 63.200 -0.141 0.000 0.784 188 S HN 0.599 8.909 8.310 -0.000 0.000 0.504 189 W N 1.834 123.128 121.300 -0.010 0.000 2.237 189 W HA 0.561 5.222 4.660 0.000 0.000 0.335 189 W C 0.127 176.660 176.519 0.023 0.000 1.230 189 W CA -1.002 56.346 57.345 0.005 0.000 1.253 189 W CB 0.222 29.680 29.460 -0.002 0.000 1.129 189 W HN 0.138 8.318 8.180 -0.000 0.000 0.590 190 E N 1.778 122.209 120.200 0.385 0.000 2.194 190 E HA -0.013 4.338 4.350 0.001 0.000 0.284 190 E C -0.677 176.160 176.600 0.395 0.000 1.035 190 E CA -0.402 56.190 56.400 0.320 0.000 0.836 190 E CB 0.460 30.264 29.700 0.174 0.000 1.070 190 E HN 0.517 8.877 8.360 -0.000 0.000 0.401 191 H N 4.327 123.579 119.070 0.302 0.000 2.800 191 H HA 0.219 4.775 4.556 0.001 0.000 0.291 191 H C -0.966 174.368 175.328 0.010 0.000 1.076 191 H CA -0.812 55.275 56.048 0.064 0.000 1.452 191 H CB 0.667 30.483 29.762 0.090 0.000 1.461 191 H HN 0.198 8.478 8.280 -0.000 0.000 0.488 192 V N 7.460 127.450 119.914 0.127 0.000 2.370 192 V HA 0.026 4.146 4.120 0.001 0.000 0.279 192 V C 0.019 176.047 176.094 -0.111 0.000 1.029 192 V CA -0.729 61.534 62.300 -0.062 0.000 0.870 192 V CB 1.147 32.962 31.823 -0.014 0.000 0.984 192 V HN 0.575 8.765 8.190 -0.000 0.000 0.451 193 L N 6.193 127.224 121.223 -0.319 0.000 2.369 193 L HA 0.380 4.721 4.340 0.001 0.000 0.279 193 L C -0.488 176.306 176.870 -0.127 0.000 1.108 193 L CA 0.356 55.055 54.840 -0.236 0.000 0.852 193 L CB 0.190 42.070 42.059 -0.298 0.000 1.169 193 L HN 0.549 8.779 8.230 -0.000 0.000 0.452 194 F N 4.396 124.253 119.950 -0.155 0.000 2.438 194 F HA 0.299 4.826 4.527 0.001 0.000 0.356 194 F C 0.770 176.466 175.800 -0.174 0.000 1.099 194 F CA -0.170 57.706 58.000 -0.206 0.000 1.185 194 F CB 0.598 39.477 39.000 -0.203 0.000 1.115 194 F HN 0.558 8.858 8.300 -0.000 0.000 0.526 195 T N 5.781 119.988 114.554 -0.579 0.000 2.928 195 T HA 0.491 4.842 4.350 0.001 0.000 0.305 195 T C -0.040 174.529 174.700 -0.218 0.000 1.035 195 T CA 0.254 62.139 62.100 -0.359 0.000 1.145 195 T CB 0.401 69.066 68.868 -0.337 0.000 0.963 195 T HN 0.753 8.993 8.240 -0.000 0.000 0.545 196 A N 1.245 123.930 122.820 -0.224 0.000 2.556 196 A HA 0.534 4.855 4.320 0.001 0.000 0.294 196 A C 1.598 179.013 177.584 -0.281 0.000 1.091 196 A CA -0.632 51.269 52.037 -0.226 0.000 0.704 196 A CB 0.259 19.047 19.000 -0.353 0.000 1.300 196 A HN 1.072 9.222 8.150 -0.000 0.000 0.406 197 C N -0.303 118.919 119.300 -0.131 0.000 2.396 197 C HA -0.199 4.262 4.460 0.001 0.000 0.277 197 C C 2.144 177.110 174.990 -0.039 0.000 1.231 197 C CA 2.041 61.030 59.018 -0.049 0.000 1.775 197 C CB -2.183 25.598 27.740 0.068 0.000 2.036 197 C HN 1.093 9.323 8.230 -0.000 0.000 0.484 198 H N 2.318 121.420 119.070 0.054 0.000 2.547 198 H HA 0.096 4.652 4.556 0.001 0.000 0.272 198 H C 1.387 176.752 175.328 0.062 0.000 0.989 198 H CA 1.458 57.542 56.048 0.060 0.000 1.214 198 H CB -0.735 29.044 29.762 0.029 0.000 1.389 198 H HN 0.732 9.012 8.280 -0.000 0.000 0.577 199 N N 0.374 118.959 118.700 -0.191 0.000 2.159 199 N HA -0.088 4.652 4.740 0.001 0.000 0.217 199 N C 1.302 176.754 175.510 -0.097 0.000 1.223 199 N CA 0.327 53.345 53.050 -0.054 0.000 0.896 199 N CB -0.185 38.267 38.487 -0.058 0.000 1.064 199 N HN 0.686 9.066 8.380 -0.000 0.000 0.518 200 Q N -0.331 119.361 119.800 -0.180 0.000 2.291 200 Q HA -0.104 4.236 4.340 0.001 0.000 0.205 200 Q C 0.443 176.258 176.000 -0.308 0.000 0.970 200 Q CA 1.367 57.006 55.803 -0.274 0.000 0.876 200 Q CB -0.598 27.921 28.738 -0.365 0.000 0.935 200 Q HN 0.583 8.853 8.270 -0.000 0.000 0.455 201 H N -0.166 118.897 119.070 -0.012 0.000 2.553 201 H HA 0.312 4.869 4.556 0.001 0.000 0.265 201 H C -0.101 175.228 175.328 0.001 0.000 0.964 201 H CA -0.431 55.615 56.048 -0.004 0.000 1.156 201 H CB 0.484 30.249 29.762 0.005 0.000 1.411 201 H HN 0.090 8.370 8.280 -0.000 0.000 0.558 202 L N 2.119 123.387 121.223 0.076 0.000 2.410 202 L HA 0.039 4.379 4.340 0.001 0.000 0.273 202 L C 0.384 177.270 176.870 0.028 0.000 1.144 202 L CA 0.013 54.886 54.840 0.054 0.000 0.863 202 L CB 0.809 42.892 42.059 0.039 0.000 1.140 202 L HN 0.315 8.545 8.230 -0.000 0.000 0.463 203 Q N 4.120 123.938 119.800 0.030 0.000 2.295 203 Q HA 0.362 4.702 4.340 0.001 0.000 0.259 203 Q C -1.000 175.003 176.000 0.005 0.000 0.976 203 Q CA -0.419 55.394 55.803 0.016 0.000 0.923 203 Q CB 0.816 29.566 28.738 0.019 0.000 1.185 203 Q HN 0.538 8.808 8.270 -0.000 0.000 0.410 204 L N 2.884 124.102 121.223 -0.010 0.000 2.399 204 L HA 0.273 4.613 4.340 0.001 0.000 0.265 204 L C 0.259 177.121 176.870 -0.013 0.000 1.089 204 L CA -1.107 53.721 54.840 -0.021 0.000 0.802 204 L CB 1.139 43.169 42.059 -0.049 0.000 1.180 204 L HN 0.559 8.789 8.230 -0.000 0.000 0.454 205 Q N 2.033 121.827 119.800 -0.011 0.000 2.262 205 Q HA 0.061 4.402 4.340 0.001 0.000 0.272 205 Q C -1.604 174.390 176.000 -0.009 0.000 1.076 205 Q CA -1.426 54.374 55.803 -0.005 0.000 0.905 205 Q CB 0.729 29.467 28.738 0.000 0.000 1.182 205 Q HN 0.315 8.585 8.270 -0.000 0.000 0.390 206 P HA -0.210 4.210 4.420 -0.000 0.000 0.220 206 P C -1.159 176.135 177.300 -0.010 0.000 1.155 206 P CA 1.614 64.709 63.100 -0.008 0.000 0.880 206 P CB -0.680 31.018 31.700 -0.004 0.000 0.790 207 P HA -0.132 4.288 4.420 -0.000 0.000 0.216 207 P C 0.383 177.675 177.300 -0.014 0.000 1.150 207 P CA 1.157 64.254 63.100 -0.005 0.000 0.843 207 P CB -0.238 31.463 31.700 0.002 0.000 0.787 208 R N 0.359 120.844 120.500 -0.025 0.000 2.590 208 R HA 0.301 4.642 4.340 0.001 0.000 0.274 208 R C 0.547 176.803 176.300 -0.074 0.000 1.061 208 R CA 0.103 56.170 56.100 -0.055 0.000 1.081 208 R CB 0.361 30.617 30.300 -0.073 0.000 0.984 208 R HN 0.047 8.317 8.270 -0.000 0.000 0.448 209 R N 1.006 121.442 120.500 -0.106 0.000 2.807 209 R HA 0.377 4.718 4.340 0.001 0.000 0.276 209 R C -0.786 175.395 176.300 -0.199 0.000 0.979 209 R CA -0.662 55.366 56.100 -0.120 0.000 0.928 209 R CB 1.540 31.789 30.300 -0.085 0.000 1.191 209 R HN 0.504 8.774 8.270 -0.000 0.000 0.471 210 R N 1.987 122.320 120.500 -0.278 0.000 2.732 210 R HA 0.442 4.782 4.340 0.001 0.000 0.278 210 R C -1.266 174.698 176.300 -0.560 0.000 0.976 210 R CA -1.104 54.733 56.100 -0.438 0.000 0.963 210 R CB 1.547 31.494 30.300 -0.589 0.000 1.150 210 R HN 0.305 8.575 8.270 -0.000 0.000 0.478 211 L N 2.220 123.145 121.223 -0.498 0.000 2.280 211 L HA 0.300 4.640 4.340 0.001 0.000 0.287 211 L C 0.166 176.602 176.870 -0.724 0.000 1.023 211 L CA 0.087 54.624 54.840 -0.506 0.000 0.819 211 L CB 0.967 42.846 42.059 -0.302 0.000 1.212 211 L HN 0.666 8.896 8.230 -0.000 0.000 0.420 212 H N 1.596 120.411 119.070 -0.425 0.000 2.512 212 H HA 0.277 4.833 4.556 0.001 0.000 0.279 212 H C 0.354 175.307 175.328 -0.626 0.000 0.999 212 H CA 0.657 56.430 56.048 -0.458 0.000 1.283 212 H CB 0.307 29.913 29.762 -0.260 0.000 1.421 212 H HN 0.709 8.989 8.280 -0.000 0.000 0.554 213 S N -2.603 112.770 115.700 -0.544 0.000 2.656 213 S HA -0.023 4.448 4.470 0.001 0.000 0.265 213 S C -0.738 173.766 174.600 -0.161 0.000 1.110 213 S CA -1.067 56.880 58.200 -0.420 0.000 0.821 213 S CB -0.359 62.791 63.200 -0.083 0.000 1.099 213 S HN 0.274 8.584 8.310 -0.000 0.000 0.471 214 W N 0.639 122.114 121.300 0.293 0.000 2.595 214 W HA 0.261 4.921 4.660 0.001 0.000 0.257 214 W C 2.488 179.184 176.519 0.295 0.000 1.267 214 W CA 0.615 58.146 57.345 0.310 0.000 1.300 214 W CB -0.125 29.466 29.460 0.218 0.000 1.120 214 W HN 0.892 9.072 8.180 -0.000 0.000 0.618 215 A N -0.407 122.623 122.820 0.350 0.000 2.066 215 A HA -0.090 4.230 4.320 0.001 0.000 0.218 215 A C 0.928 178.624 177.584 0.188 0.000 1.157 215 A CA 0.824 53.008 52.037 0.244 0.000 0.670 215 A CB -0.529 18.560 19.000 0.148 0.000 0.804 215 A HN 0.056 8.206 8.150 -0.000 0.000 0.453 216 D N 0.244 120.741 120.400 0.162 0.000 2.354 216 D HA 0.078 4.718 4.640 0.001 0.000 0.238 216 D C -0.479 175.903 176.300 0.136 0.000 1.250 216 D CA -0.151 53.916 54.000 0.113 0.000 0.911 216 D CB 0.423 41.264 40.800 0.068 0.000 1.163 216 D HN 0.090 8.460 8.370 -0.000 0.000 0.456 217 D N 2.026 122.456 120.400 0.050 0.000 2.558 217 D HA 0.013 4.653 4.640 0.001 0.000 0.221 217 D C 1.142 177.435 176.300 -0.011 0.000 1.143 217 D CA -0.469 53.501 54.000 -0.050 0.000 1.010 217 D CB -0.339 40.427 40.800 -0.056 0.000 1.068 217 D HN 0.452 8.822 8.370 -0.000 0.000 0.511 218 W N 2.769 124.125 121.300 0.093 0.000 2.402 218 W HA -0.087 4.573 4.660 0.001 0.000 0.286 218 W C 0.980 177.564 176.519 0.109 0.000 1.221 218 W CA 0.079 57.491 57.345 0.112 0.000 1.257 218 W CB -0.473 29.141 29.460 0.257 0.000 1.120 218 W HN 0.154 8.334 8.180 -0.000 0.000 0.551 219 K N 1.147 121.252 120.400 -0.492 0.000 2.103 219 K HA -0.110 4.211 4.320 0.001 0.000 0.207 219 K C 2.603 179.145 176.600 -0.096 0.000 1.048 219 K CA 1.950 58.020 56.287 -0.361 0.000 0.930 219 K CB -0.485 31.628 32.500 -0.643 0.000 0.716 219 K HN 0.145 8.395 8.250 -0.000 0.000 0.444 220 A N 1.490 124.253 122.820 -0.095 0.000 1.933 220 A HA -0.147 4.174 4.320 0.001 0.000 0.218 220 A C 2.099 179.695 177.584 0.020 0.000 1.175 220 A CA 1.233 53.250 52.037 -0.032 0.000 0.628 220 A CB -0.556 18.422 19.000 -0.037 0.000 0.814 220 A HN 0.170 8.320 8.150 -0.000 0.000 0.444 221 I N -0.901 119.702 120.570 0.055 0.000 2.142 221 I HA -0.261 3.909 4.170 0.001 0.000 0.240 221 I C 2.315 178.494 176.117 0.105 0.000 1.078 221 I CA 1.066 62.414 61.300 0.079 0.000 1.343 221 I CB -0.408 37.650 38.000 0.097 0.000 1.046 221 I HN 0.232 8.442 8.210 -0.000 0.000 0.405 222 L N 0.532 121.850 121.223 0.158 0.000 2.012 222 L HA -0.271 4.069 4.340 0.001 0.000 0.210 222 L C 2.106 179.039 176.870 0.105 0.000 1.073 222 L CA 1.914 56.852 54.840 0.163 0.000 0.748 222 L CB -0.907 41.296 42.059 0.240 0.000 0.891 222 L HN 0.221 8.451 8.230 -0.000 0.000 0.431 223 D N -1.114 119.330 120.400 0.075 0.000 2.178 223 D HA -0.150 4.490 4.640 0.001 0.000 0.201 223 D C 2.347 178.672 176.300 0.042 0.000 0.980 223 D CA 1.436 55.465 54.000 0.047 0.000 0.842 223 D CB -0.197 40.614 40.800 0.019 0.000 0.948 223 D HN 0.440 8.810 8.370 -0.000 0.000 0.472 224 S N -0.053 115.672 115.700 0.041 0.000 2.469 224 S HA -0.095 4.376 4.470 0.001 0.000 0.238 224 S C 1.498 176.124 174.600 0.042 0.000 0.998 224 S CA 0.678 58.899 58.200 0.035 0.000 0.957 224 S CB 0.032 63.251 63.200 0.030 0.000 0.764 224 S HN 0.031 8.341 8.310 -0.000 0.000 0.514 225 K N 0.744 121.178 120.400 0.056 0.000 2.353 225 K HA 0.297 4.617 4.320 0.001 0.000 0.195 225 K C 0.528 177.162 176.600 0.056 0.000 1.031 225 K CA 0.029 56.352 56.287 0.060 0.000 1.079 225 K CB 0.222 32.770 32.500 0.079 0.000 0.857 225 K HN 0.470 8.720 8.250 -0.000 0.000 0.535 226 R N 1.663 122.195 120.500 0.053 0.000 2.577 226 R HA 0.258 4.598 4.340 0.001 0.000 0.269 226 R C -1.860 174.463 176.300 0.037 0.000 1.084 226 R CA -1.404 54.725 56.100 0.049 0.000 1.163 226 R CB -0.306 30.024 30.300 0.049 0.000 1.100 226 R HN -0.059 8.211 8.270 -0.000 0.000 0.547 227 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 227 P CA 0.000 63.116 63.100 0.026 0.000 0.800 227 P CB 0.000 31.715 31.700 0.025 0.000 0.726