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 3d07_1_A DATA FIRST_RESID 94 DATA SEQUENCE SSSVPSQKTY QGSYGFRLGF LHSGTAKSVT CTYSPALNKM FCQLAKTCPV DATA SEQUENCE QLWVDSTPPP GTRVRAMAIY KQSQHMTEVV RRCPHHERCS DSDGLAPPQH DATA SEQUENCE LIRVEGNLRV EYLDDRNTFR HSVVVPYEPP EVGSDCTTIH YNYMCNSSCM DATA SEQUENCE GGMXRSPILT IITLEDSSGN LLGRNSFEVR VCACPGRDRR TEEEN 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 94 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 94 S C 0.000 174.560 174.600 -0.067 0.000 1.055 94 S CA 0.000 58.164 58.200 -0.060 0.000 1.107 94 S CB 0.000 63.135 63.200 -0.108 0.000 0.593 95 S N 2.151 117.849 115.700 -0.003 0.000 2.596 95 S HA 0.713 2.350 4.470 -4.721 0.000 0.260 95 S C 0.189 174.770 174.600 -0.031 0.000 1.336 95 S CA -0.382 57.821 58.200 0.005 0.000 0.993 95 S CB 0.497 63.706 63.200 0.016 0.000 0.923 95 S HN 1.058 9.368 8.310 -0.000 0.000 0.567 96 S N -0.787 114.903 115.700 -0.016 0.000 2.537 96 S HA 0.555 2.193 4.470 -4.721 0.000 0.271 96 S C -1.462 173.136 174.600 -0.004 0.000 1.148 96 S CA -0.861 57.324 58.200 -0.025 0.000 0.868 96 S CB 1.219 64.389 63.200 -0.049 0.000 1.115 96 S HN 0.381 8.691 8.310 -0.000 0.000 0.461 97 V N 2.117 122.029 119.914 -0.004 0.000 2.380 97 V HA 0.403 1.691 4.120 -4.721 0.000 0.268 97 V C -2.609 173.486 176.094 0.001 0.000 1.008 97 V CA -1.256 61.048 62.300 0.007 0.000 0.823 97 V CB 0.525 32.355 31.823 0.011 0.000 1.053 97 V HN 0.849 9.039 8.190 -0.000 0.000 0.446 98 P HA 0.112 4.532 4.420 -0.000 0.000 0.267 98 P C 0.350 177.652 177.300 0.002 0.000 1.205 98 P CA 0.427 63.522 63.100 -0.008 0.000 0.765 98 P CB 0.549 32.240 31.700 -0.016 0.000 0.828 99 S N 2.314 118.017 115.700 0.004 0.000 2.593 99 S HA -0.092 1.545 4.470 -4.721 0.000 0.300 99 S C 0.806 175.421 174.600 0.026 0.000 1.267 99 S CA 0.262 58.472 58.200 0.017 0.000 1.065 99 S CB 0.020 63.230 63.200 0.016 0.000 0.807 99 S HN 0.405 8.715 8.310 -0.000 0.000 0.499 100 Q N 2.234 122.055 119.800 0.034 0.000 2.247 100 Q HA 0.185 1.693 4.340 -4.721 0.000 0.204 100 Q C 0.021 176.061 176.000 0.066 0.000 0.872 100 Q CA -0.038 55.789 55.803 0.040 0.000 0.951 100 Q CB 0.361 29.118 28.738 0.030 0.000 1.099 100 Q HN 0.540 8.810 8.270 -0.000 0.000 0.501 101 K N 1.725 122.174 120.400 0.081 0.000 2.312 101 K HA 0.144 1.632 4.320 -4.721 0.000 0.287 101 K C -0.611 176.086 176.600 0.161 0.000 1.062 101 K CA 0.100 56.454 56.287 0.112 0.000 0.934 101 K CB 0.836 33.408 32.500 0.119 0.000 1.027 101 K HN -0.109 8.141 8.250 -0.000 0.000 0.478 102 T N 3.482 118.122 114.554 0.142 0.000 2.907 102 T HA 0.136 1.654 4.350 -4.721 0.000 0.298 102 T C -1.092 173.727 174.700 0.199 0.000 1.017 102 T CA 0.294 62.483 62.100 0.149 0.000 1.118 102 T CB 0.160 69.081 68.868 0.087 0.000 0.948 102 T HN 0.491 8.731 8.240 -0.000 0.000 0.531 103 Y N 1.691 122.049 120.300 0.096 0.000 2.265 103 Y HA 0.171 1.886 4.550 -4.724 0.000 0.325 103 Y C 1.012 177.001 175.900 0.148 0.000 1.190 103 Y CA -0.559 57.601 58.100 0.099 0.000 1.224 103 Y CB 0.938 39.451 38.460 0.089 0.000 1.200 103 Y HN 0.662 8.942 8.280 -0.000 0.000 0.421 104 Q N 3.387 123.235 119.800 0.081 0.000 2.172 104 Q HA 0.152 1.659 4.340 -4.721 0.000 0.200 104 Q C 1.414 177.570 176.000 0.259 0.000 0.964 104 Q CA 0.919 56.824 55.803 0.170 0.000 0.855 104 Q CB 0.163 28.929 28.738 0.046 0.000 0.918 104 Q HN 0.963 9.233 8.270 -0.000 0.000 0.444 105 G N 0.907 109.850 108.800 0.238 0.000 2.641 105 G HA2 -0.374 0.754 3.960 -4.721 0.000 0.254 105 G HA3 -0.374 0.754 3.960 -4.721 0.000 0.254 105 G C 0.563 175.536 174.900 0.121 0.000 1.315 105 G CA 0.339 45.634 45.100 0.326 0.000 0.907 105 G HN 0.449 8.739 8.290 -0.000 0.000 0.572 106 S N -1.567 114.143 115.700 0.017 0.000 2.527 106 S HA 0.171 1.809 4.470 -4.721 0.000 0.222 106 S C 1.607 175.988 174.600 -0.365 0.000 0.985 106 S CA 1.646 59.721 58.200 -0.208 0.000 0.921 106 S CB -0.048 62.956 63.200 -0.328 0.000 0.772 106 S HN 0.709 9.019 8.310 -0.000 0.000 0.529 107 Y N 1.682 122.015 120.300 0.056 0.000 2.458 107 Y HA 0.455 2.174 4.550 -4.719 0.000 0.256 107 Y C 1.630 177.585 175.900 0.091 0.000 1.159 107 Y CA -0.448 57.678 58.100 0.043 0.000 1.261 107 Y CB -0.114 38.335 38.460 -0.018 0.000 1.119 107 Y HN 0.349 8.629 8.280 -0.000 0.000 0.524 108 G N 1.232 110.146 108.800 0.191 0.000 2.298 108 G HA2 -0.342 0.785 3.960 -4.721 0.000 0.287 108 G HA3 -0.342 0.785 3.960 -4.721 0.000 0.287 108 G C -0.246 174.799 174.900 0.241 0.000 1.075 108 G CA -0.211 44.988 45.100 0.166 0.000 0.960 108 G HN 0.305 8.595 8.290 -0.000 0.000 0.502 109 F N 1.418 121.442 119.950 0.124 0.000 2.467 109 F HA 0.710 2.391 4.527 -4.743 0.000 0.362 109 F C 0.699 176.572 175.800 0.122 0.000 1.090 109 F CA -0.819 57.256 58.000 0.125 0.000 1.202 109 F CB 0.513 39.582 39.000 0.114 0.000 1.113 109 F HN 0.340 8.640 8.300 -0.000 0.000 0.541 110 R N 5.322 125.596 120.500 -0.377 0.000 2.836 110 R HA 0.614 2.122 4.340 -4.721 0.000 0.269 110 R C -1.397 174.634 176.300 -0.449 0.000 1.010 110 R CA -1.115 54.746 56.100 -0.398 0.000 0.930 110 R CB 1.911 32.128 30.300 -0.138 0.000 1.218 110 R HN 0.594 8.864 8.270 -0.000 0.000 0.473 111 L N 0.351 121.361 121.223 -0.355 0.000 2.360 111 L HA 0.764 2.271 4.340 -4.721 0.000 0.271 111 L C 0.429 177.083 176.870 -0.360 0.000 1.057 111 L CA -0.673 53.970 54.840 -0.330 0.000 0.803 111 L CB 1.792 43.662 42.059 -0.315 0.000 1.207 111 L HN 0.810 9.040 8.230 -0.000 0.000 0.445 112 G N 0.883 109.382 108.800 -0.501 0.000 2.659 112 G HA2 0.725 1.853 3.960 -4.721 0.000 0.296 112 G HA3 0.725 1.853 3.960 -4.721 0.000 0.296 112 G C -1.665 172.710 174.900 -0.876 0.000 1.369 112 G CA -0.325 44.508 45.100 -0.444 0.000 0.937 112 G HN 0.297 8.587 8.290 -0.000 0.000 0.485 113 F N -0.299 119.478 119.950 -0.290 0.000 2.588 113 F HA 0.554 2.225 4.527 -4.760 0.000 0.314 113 F C -0.094 175.516 175.800 -0.317 0.000 1.069 113 F CA -1.117 56.701 58.000 -0.303 0.000 0.931 113 F CB 1.815 40.503 39.000 -0.521 0.000 1.260 113 F HN 0.186 8.486 8.300 -0.000 0.000 0.465 114 L N 2.508 123.707 121.223 -0.041 0.000 2.483 114 L HA 0.059 1.566 4.340 -4.721 0.000 0.276 114 L C 0.372 177.164 176.870 -0.130 0.000 1.213 114 L CA 0.169 54.933 54.840 -0.125 0.000 0.843 114 L CB -0.125 41.947 42.059 0.021 0.000 1.107 114 L HN 0.461 8.691 8.230 -0.000 0.000 0.487 115 H N 2.201 121.351 119.070 0.133 0.000 2.702 115 H HA 0.255 1.984 4.556 -4.712 0.000 0.252 115 H C 0.288 175.669 175.328 0.088 0.000 1.493 115 H CA -0.163 55.954 56.048 0.115 0.000 1.273 115 H CB 0.378 30.193 29.762 0.089 0.000 1.537 115 H HN 0.582 8.862 8.280 -0.000 0.000 0.547 116 S N 1.187 116.982 115.700 0.157 0.000 2.517 116 S HA 0.181 1.819 4.470 -4.721 0.000 0.214 116 S C 1.500 176.149 174.600 0.081 0.000 0.991 116 S CA 0.200 58.463 58.200 0.106 0.000 0.906 116 S CB 0.585 63.841 63.200 0.094 0.000 0.789 116 S HN 0.977 9.287 8.310 -0.000 0.000 0.513 117 G N 1.992 110.841 108.800 0.082 0.000 2.645 117 G HA2 -0.267 0.861 3.960 -4.721 0.000 0.246 117 G HA3 -0.267 0.861 3.960 -4.721 0.000 0.246 117 G C 0.207 175.115 174.900 0.012 0.000 1.322 117 G CA 0.237 45.361 45.100 0.040 0.000 0.898 117 G HN 0.815 9.105 8.290 -0.000 0.000 0.573 118 T N -2.726 111.820 114.554 -0.014 0.000 3.487 118 T HA 0.750 2.267 4.350 -4.721 0.000 0.287 118 T C 0.684 175.367 174.700 -0.029 0.000 1.004 118 T CA 1.182 63.257 62.100 -0.040 0.000 0.977 118 T CB 0.306 69.122 68.868 -0.086 0.000 1.180 118 T HN 2.201 10.441 8.240 -0.000 0.000 0.490 119 A N 1.349 124.164 122.820 -0.009 0.000 2.466 119 A HA 0.448 1.936 4.320 -4.721 0.000 0.238 119 A C 1.798 179.380 177.584 -0.004 0.000 1.074 119 A CA 0.032 52.066 52.037 -0.005 0.000 0.774 119 A CB 0.409 19.412 19.000 0.005 0.000 1.015 119 A HN 0.360 8.510 8.150 -0.000 0.000 0.498 120 K N 0.971 121.368 120.400 -0.004 0.000 2.077 120 K HA -0.218 1.270 4.320 -4.721 0.000 0.213 120 K C 2.261 178.866 176.600 0.009 0.000 1.051 120 K CA 2.768 59.055 56.287 0.000 0.000 0.929 120 K CB -1.172 31.329 32.500 0.001 0.000 0.715 120 K HN 1.250 9.500 8.250 -0.000 0.000 0.451 121 S N -0.323 115.383 115.700 0.011 0.000 2.447 121 S HA 0.021 1.659 4.470 -4.721 0.000 0.233 121 S C 1.057 175.670 174.600 0.023 0.000 1.006 121 S CA 0.677 58.887 58.200 0.017 0.000 0.957 121 S CB -0.473 62.737 63.200 0.016 0.000 0.773 121 S HN 0.239 8.549 8.310 -0.000 0.000 0.507 122 V N 3.677 123.605 119.914 0.024 0.000 2.529 122 V HA 0.094 1.382 4.120 -4.721 0.000 0.292 122 V C 1.655 177.776 176.094 0.045 0.000 1.028 122 V CA 0.778 63.099 62.300 0.035 0.000 1.074 122 V CB 0.699 32.543 31.823 0.035 0.000 0.958 122 V HN 0.679 8.869 8.190 -0.000 0.000 0.481 123 T N 0.108 114.693 114.554 0.053 0.000 3.037 123 T HA 0.098 1.616 4.350 -4.721 0.000 0.251 123 T C 0.428 175.182 174.700 0.090 0.000 1.079 123 T CA 0.135 62.273 62.100 0.064 0.000 1.067 123 T CB 0.077 68.978 68.868 0.055 0.000 0.948 123 T HN 0.618 8.858 8.240 -0.000 0.000 0.496 124 C N 1.619 120.978 119.300 0.097 0.000 2.705 124 C HA 0.713 2.340 4.460 -4.721 0.000 0.369 124 C C -0.851 174.219 174.990 0.135 0.000 1.069 124 C CA -0.266 58.830 59.018 0.130 0.000 1.260 124 C CB 0.553 28.375 27.740 0.137 0.000 1.764 124 C HN 0.422 8.652 8.230 -0.000 0.000 0.469 125 T N 4.461 119.114 114.554 0.166 0.000 2.916 125 T HA 0.579 2.096 4.350 -4.721 0.000 0.298 125 T C -1.743 173.096 174.700 0.231 0.000 1.031 125 T CA -0.187 62.012 62.100 0.166 0.000 0.993 125 T CB 1.210 70.134 68.868 0.093 0.000 1.045 125 T HN 0.715 8.955 8.240 -0.000 0.000 0.454 126 Y N 3.361 123.673 120.300 0.020 0.000 2.341 126 Y HA 0.620 2.342 4.550 -4.714 0.000 0.337 126 Y C 0.117 176.003 175.900 -0.023 0.000 1.014 126 Y CA -0.649 57.385 58.100 -0.110 0.000 1.111 126 Y CB 1.546 39.755 38.460 -0.418 0.000 1.194 126 Y HN 0.531 8.811 8.280 -0.000 0.000 0.462 127 S N 8.600 123.955 115.700 -0.575 0.000 2.399 127 S HA 0.303 1.941 4.470 -4.721 0.000 0.301 127 S C -1.886 172.164 174.600 -0.916 0.000 1.093 127 S CA -1.633 56.259 58.200 -0.513 0.000 1.077 127 S CB 0.643 63.771 63.200 -0.119 0.000 0.980 127 S HN 0.665 8.975 8.310 -0.000 0.000 0.494 128 P HA -0.103 4.317 4.420 -0.000 0.000 0.215 128 P C 1.436 178.648 177.300 -0.147 0.000 1.153 128 P CA 1.449 64.419 63.100 -0.216 0.000 0.853 128 P CB 0.035 31.759 31.700 0.039 0.000 0.788 129 A N -1.024 121.721 122.820 -0.124 0.000 1.948 129 A HA -0.169 1.318 4.320 -4.721 0.000 0.220 129 A C 1.850 179.391 177.584 -0.070 0.000 1.177 129 A CA 1.742 53.735 52.037 -0.074 0.000 0.636 129 A CB -1.394 17.571 19.000 -0.059 0.000 0.815 129 A HN 0.116 8.266 8.150 -0.000 0.000 0.449 130 L N -0.622 120.537 121.223 -0.107 0.000 2.616 130 L HA 0.203 1.710 4.340 -4.721 0.000 0.229 130 L C 0.865 177.678 176.870 -0.095 0.000 1.110 130 L CA 0.464 55.263 54.840 -0.068 0.000 0.884 130 L CB -1.282 40.767 42.059 -0.016 0.000 1.115 130 L HN 0.667 8.897 8.230 -0.000 0.000 0.481 131 N N 1.247 119.845 118.700 -0.170 0.000 2.688 131 N HA -0.262 1.646 4.740 -4.721 0.000 0.258 131 N C 0.043 175.502 175.510 -0.084 0.000 1.016 131 N CA 0.425 53.419 53.050 -0.095 0.000 0.747 131 N CB -0.371 38.170 38.487 0.090 0.000 0.895 131 N HN 0.333 8.713 8.380 -0.000 0.000 0.543 132 K N 1.423 121.615 120.400 -0.347 0.000 2.507 132 K HA 0.352 1.840 4.320 -4.721 0.000 0.251 132 K C -0.736 175.669 176.600 -0.326 0.000 0.943 132 K CA -0.753 55.375 56.287 -0.266 0.000 0.794 132 K CB 1.172 33.481 32.500 -0.318 0.000 1.188 132 K HN 0.197 8.447 8.250 -0.000 0.000 0.428 133 M N 4.283 123.768 119.600 -0.192 0.000 2.233 133 M HA 0.445 2.093 4.480 -4.721 0.000 0.355 133 M C -1.763 174.298 176.300 -0.399 0.000 1.191 133 M CA 0.105 55.326 55.300 -0.131 0.000 1.101 133 M CB 0.453 33.063 32.600 0.016 0.000 1.592 133 M HN 0.475 8.765 8.290 -0.000 0.000 0.461 134 F N 5.335 125.269 119.950 -0.027 0.000 2.445 134 F HA 0.592 2.291 4.527 -4.714 0.000 0.348 134 F C -0.227 175.574 175.800 0.002 0.000 1.125 134 F CA -0.551 57.431 58.000 -0.029 0.000 0.983 134 F CB 1.159 40.139 39.000 -0.034 0.000 1.198 134 F HN 0.876 9.176 8.300 -0.000 0.000 0.436 135 C N 0.586 119.951 119.300 0.109 0.000 3.154 135 C HA 0.724 2.351 4.460 -4.721 0.000 0.312 135 C C -0.831 174.220 174.990 0.102 0.000 1.349 135 C CA -1.076 58.013 59.018 0.118 0.000 1.518 135 C CB 1.602 29.428 27.740 0.143 0.000 1.934 135 C HN 0.766 8.996 8.230 -0.000 0.000 0.462 136 Q N 0.759 120.624 119.800 0.109 0.000 2.230 136 Q HA 0.480 1.987 4.340 -4.721 0.000 0.248 136 Q C -0.438 175.624 176.000 0.105 0.000 0.915 136 Q CA -0.554 55.305 55.803 0.093 0.000 0.900 136 Q CB 1.887 30.673 28.738 0.080 0.000 1.229 136 Q HN 0.762 9.032 8.270 -0.000 0.000 0.439 137 L N 1.447 122.719 121.223 0.081 0.000 2.525 137 L HA -0.029 1.479 4.340 -4.721 0.000 0.278 137 L C 0.675 177.585 176.870 0.066 0.000 1.218 137 L CA 1.075 55.955 54.840 0.065 0.000 0.878 137 L CB 0.176 42.237 42.059 0.003 0.000 1.127 137 L HN 1.032 9.262 8.230 -0.000 0.000 0.492 138 A N 2.292 125.154 122.820 0.071 0.000 3.420 138 A HA -0.270 1.218 4.320 -4.721 0.000 0.269 138 A C 0.639 178.265 177.584 0.070 0.000 1.122 138 A CA 1.698 53.770 52.037 0.059 0.000 1.023 138 A CB -1.693 17.328 19.000 0.035 0.000 1.099 138 A HN 0.679 8.829 8.150 -0.000 0.000 0.860 139 K N 1.070 121.523 120.400 0.089 0.000 2.126 139 K HA 0.545 2.032 4.320 -4.721 0.000 0.257 139 K C 0.474 177.131 176.600 0.094 0.000 1.007 139 K CA 0.408 56.742 56.287 0.077 0.000 0.928 139 K CB 0.393 32.942 32.500 0.081 0.000 1.013 139 K HN 0.290 8.540 8.250 -0.000 0.000 0.473 140 T N 1.635 116.216 114.554 0.044 0.000 2.867 140 T HA 0.074 1.591 4.350 -4.721 0.000 0.297 140 T C -0.336 174.423 174.700 0.099 0.000 0.989 140 T CA 0.052 62.162 62.100 0.016 0.000 1.159 140 T CB -0.418 68.359 68.868 -0.151 0.000 0.928 140 T HN 0.433 8.673 8.240 -0.000 0.000 0.538 141 C N 7.409 126.829 119.300 0.201 0.000 2.386 141 C HA 0.404 2.032 4.460 -4.721 0.000 0.318 141 C C -2.392 172.795 174.990 0.327 0.000 1.128 141 C CA -2.058 57.131 59.018 0.285 0.000 1.438 141 C CB 0.127 28.128 27.740 0.434 0.000 1.987 141 C HN 0.602 8.832 8.230 -0.000 0.000 0.426 142 P HA 0.326 4.746 4.420 -0.000 0.000 0.276 142 P C -0.633 176.785 177.300 0.196 0.000 1.235 142 P CA 0.126 63.405 63.100 0.299 0.000 0.772 142 P CB 0.760 32.602 31.700 0.238 0.000 0.871 143 V N 4.584 124.588 119.914 0.150 0.000 2.483 143 V HA 0.263 1.550 4.120 -4.721 0.000 0.297 143 V C -0.002 176.038 176.094 -0.089 0.000 1.027 143 V CA -0.589 61.691 62.300 -0.032 0.000 0.855 143 V CB 1.522 33.468 31.823 0.205 0.000 0.995 143 V HN 0.457 8.647 8.190 -0.000 0.000 0.424 144 Q N 4.062 123.724 119.800 -0.231 0.000 2.235 144 Q HA 0.622 2.130 4.340 -4.721 0.000 0.250 144 Q C -1.360 174.621 176.000 -0.031 0.000 0.909 144 Q CA -0.864 54.870 55.803 -0.116 0.000 0.910 144 Q CB 1.931 30.677 28.738 0.014 0.000 1.223 144 Q HN 0.383 8.653 8.270 -0.000 0.000 0.432 145 L N 2.326 123.544 121.223 -0.008 0.000 2.287 145 L HA 0.430 1.938 4.340 -4.721 0.000 0.287 145 L C -1.186 175.733 176.870 0.083 0.000 1.022 145 L CA -0.353 54.602 54.840 0.192 0.000 0.814 145 L CB 0.374 42.655 42.059 0.370 0.000 1.217 145 L HN 0.608 8.838 8.230 -0.000 0.000 0.420 146 W N 3.589 124.926 121.300 0.062 0.000 2.606 146 W HA 0.762 2.581 4.660 -4.734 0.000 0.332 146 W C -0.389 176.216 176.519 0.143 0.000 1.052 146 W CA -0.658 56.727 57.345 0.067 0.000 1.223 146 W CB 1.839 31.290 29.460 -0.015 0.000 1.383 146 W HN 0.143 8.323 8.180 -0.000 0.000 0.524 147 V N 3.305 123.422 119.914 0.338 0.000 2.841 147 V HA 0.214 1.502 4.120 -4.721 0.000 0.310 147 V C -0.075 176.157 176.094 0.230 0.000 1.090 147 V CA -0.466 62.002 62.300 0.280 0.000 0.930 147 V CB 2.337 34.284 31.823 0.207 0.000 1.014 147 V HN 0.594 8.784 8.190 -0.000 0.000 0.425 148 D N 1.680 122.203 120.400 0.205 0.000 2.183 148 D HA 0.073 1.881 4.640 -4.721 0.000 0.205 148 D C 0.419 176.807 176.300 0.147 0.000 0.962 148 D CA 0.941 55.035 54.000 0.157 0.000 0.849 148 D CB 0.424 41.294 40.800 0.116 0.000 0.978 148 D HN 0.470 8.840 8.370 -0.000 0.000 0.488 149 S N -0.328 115.485 115.700 0.189 0.000 2.521 149 S HA 0.334 1.971 4.470 -4.721 0.000 0.295 149 S C -0.312 174.422 174.600 0.224 0.000 1.098 149 S CA -0.741 57.584 58.200 0.209 0.000 0.999 149 S CB 2.379 65.722 63.200 0.237 0.000 1.034 149 S HN -0.111 8.199 8.310 -0.000 0.000 0.483 150 T N 5.714 120.345 114.554 0.129 0.000 2.793 150 T HA 0.190 1.708 4.350 -4.721 0.000 0.289 150 T C -1.965 172.635 174.700 -0.166 0.000 0.956 150 T CA -0.537 61.572 62.100 0.016 0.000 1.177 150 T CB -0.267 68.637 68.868 0.059 0.000 0.897 150 T HN 0.388 8.628 8.240 -0.000 0.000 0.533 151 P HA 0.253 4.673 4.420 -0.000 0.000 0.272 151 P C -2.644 174.386 177.300 -0.451 0.000 1.240 151 P CA -1.584 60.881 63.100 -1.057 0.000 0.791 151 P CB -0.347 30.593 31.700 -1.265 0.000 0.978 152 P HA 0.224 4.644 4.420 -0.000 0.000 0.270 152 P C -2.291 174.953 177.300 -0.094 0.000 1.223 152 P CA -1.012 62.012 63.100 -0.127 0.000 0.785 152 P CB -1.305 30.349 31.700 -0.077 0.000 0.923 153 P HA 0.030 4.450 4.420 -0.000 0.000 0.266 153 P C 0.957 178.237 177.300 -0.033 0.000 1.193 153 P CA 1.387 64.474 63.100 -0.021 0.000 0.770 153 P CB 0.017 31.707 31.700 -0.016 0.000 0.836 154 G N 0.599 109.385 108.800 -0.023 0.000 2.176 154 G HA2 -0.230 0.898 3.960 -4.721 0.000 0.253 154 G HA3 -0.230 0.898 3.960 -4.721 0.000 0.253 154 G C 0.411 175.285 174.900 -0.043 0.000 0.979 154 G CA 0.235 45.316 45.100 -0.031 0.000 0.641 154 G HN 0.639 8.929 8.290 -0.000 0.000 0.530 155 T N 0.823 115.343 114.554 -0.055 0.000 2.900 155 T HA 0.565 2.083 4.350 -4.721 0.000 0.307 155 T C 0.628 175.310 174.700 -0.030 0.000 1.065 155 T CA 0.352 62.396 62.100 -0.094 0.000 1.105 155 T CB 1.054 69.790 68.868 -0.221 0.000 0.979 155 T HN 0.503 8.743 8.240 -0.000 0.000 0.544 156 R N 0.475 120.939 120.500 -0.061 0.000 2.795 156 R HA 0.679 2.187 4.340 -4.721 0.000 0.275 156 R C -1.520 174.752 176.300 -0.047 0.000 0.981 156 R CA -0.800 55.279 56.100 -0.034 0.000 0.917 156 R CB 1.995 32.268 30.300 -0.045 0.000 1.202 156 R HN 0.377 8.647 8.270 -0.000 0.000 0.469 157 V N 1.965 121.872 119.914 -0.011 0.000 2.409 157 V HA 0.520 1.807 4.120 -4.721 0.000 0.291 157 V C -0.334 175.785 176.094 0.042 0.000 1.020 157 V CA -0.801 61.508 62.300 0.014 0.000 0.848 157 V CB 1.475 33.352 31.823 0.089 0.000 0.990 157 V HN 0.615 8.805 8.190 -0.000 0.000 0.430 158 R N 3.127 123.657 120.500 0.049 0.000 2.589 158 R HA 0.848 2.355 4.340 -4.721 0.000 0.293 158 R C -0.677 175.685 176.300 0.103 0.000 0.963 158 R CA -0.361 55.774 56.100 0.059 0.000 0.905 158 R CB 1.875 32.187 30.300 0.019 0.000 1.144 158 R HN 0.851 9.121 8.270 -0.000 0.000 0.459 159 A N 4.769 127.654 122.820 0.108 0.000 2.365 159 A HA 0.661 2.149 4.320 -4.721 0.000 0.318 159 A C -1.088 176.501 177.584 0.007 0.000 1.091 159 A CA -0.786 51.274 52.037 0.039 0.000 0.763 159 A CB 1.622 20.619 19.000 -0.006 0.000 1.248 159 A HN 0.795 8.945 8.150 -0.000 0.000 0.442 160 M N 2.319 121.894 119.600 -0.042 0.000 2.371 160 M HA 0.645 2.292 4.480 -4.721 0.000 0.287 160 M C -1.049 175.195 176.300 -0.094 0.000 1.149 160 M CA -0.455 54.816 55.300 -0.048 0.000 0.929 160 M CB 1.923 34.502 32.600 -0.036 0.000 1.683 160 M HN 0.957 9.247 8.290 -0.000 0.000 0.470 161 A N 5.441 128.203 122.820 -0.097 0.000 2.301 161 A HA 0.847 2.335 4.320 -4.721 0.000 0.312 161 A C -0.740 176.735 177.584 -0.181 0.000 1.182 161 A CA -0.698 51.255 52.037 -0.139 0.000 0.826 161 A CB 0.414 19.346 19.000 -0.113 0.000 1.134 161 A HN 0.926 9.076 8.150 -0.000 0.000 0.501 162 I N -1.876 118.573 120.570 -0.201 0.000 3.074 162 I HA 0.632 1.970 4.170 -4.721 0.000 0.310 162 I C -1.522 174.456 176.117 -0.231 0.000 1.153 162 I CA -1.178 60.011 61.300 -0.185 0.000 0.993 162 I CB 1.726 39.683 38.000 -0.071 0.000 1.237 162 I HN 0.525 8.735 8.210 -0.000 0.000 0.443 163 Y N 1.888 122.178 120.300 -0.017 0.000 2.359 163 Y HA 0.199 1.924 4.550 -4.709 0.000 0.334 163 Y C 1.628 177.526 175.900 -0.004 0.000 1.058 163 Y CA -0.025 58.069 58.100 -0.010 0.000 1.244 163 Y CB 1.377 39.855 38.460 0.031 0.000 1.187 163 Y HN 0.607 8.887 8.280 -0.000 0.000 0.510 164 K N 2.497 122.979 120.400 0.138 0.000 2.211 164 K HA -0.069 1.418 4.320 -4.721 0.000 0.203 164 K C 0.159 176.803 176.600 0.074 0.000 1.050 164 K CA 1.769 58.096 56.287 0.067 0.000 0.945 164 K CB -0.230 32.290 32.500 0.033 0.000 0.732 164 K HN 0.930 9.180 8.250 -0.000 0.000 0.451 165 Q N -2.065 117.795 119.800 0.100 0.000 2.756 165 Q HA 0.443 1.950 4.340 -4.721 0.000 0.295 165 Q C -0.787 175.263 176.000 0.084 0.000 0.903 165 Q CA -0.263 55.583 55.803 0.071 0.000 0.768 165 Q CB 1.352 30.120 28.738 0.049 0.000 1.472 165 Q HN 0.399 8.669 8.270 -0.000 0.000 0.416 166 S N -0.777 114.955 115.700 0.054 0.000 4.121 166 S HA -0.257 1.381 4.470 -4.721 0.000 0.643 166 S C 0.829 175.425 174.600 -0.007 0.000 1.211 166 S CA 0.615 58.841 58.200 0.042 0.000 1.379 166 S CB -1.460 61.801 63.200 0.103 0.000 0.324 166 S HN 1.278 9.588 8.310 -0.000 0.000 1.777 167 Q N 0.826 120.571 119.800 -0.091 0.000 2.443 167 Q HA -0.188 1.320 4.340 -4.721 0.000 0.213 167 Q C 1.263 177.091 176.000 -0.288 0.000 0.982 167 Q CA 2.234 57.916 55.803 -0.201 0.000 0.894 167 Q CB -0.674 27.902 28.738 -0.271 0.000 0.947 167 Q HN 0.945 9.215 8.270 -0.000 0.000 0.480 168 H N -0.127 118.882 119.070 -0.102 0.000 2.539 168 H HA 0.198 1.922 4.556 -4.720 0.000 0.267 168 H C 1.626 176.976 175.328 0.037 0.000 0.982 168 H CA 0.587 56.548 56.048 -0.146 0.000 1.146 168 H CB 0.083 29.513 29.762 -0.553 0.000 1.382 168 H HN 0.220 8.500 8.280 -0.000 0.000 0.577 169 M N 0.064 119.737 119.600 0.122 0.000 2.106 169 M HA -0.163 1.485 4.480 -4.721 0.000 0.259 169 M C 1.899 178.265 176.300 0.111 0.000 1.068 169 M CA 2.082 57.458 55.300 0.127 0.000 1.100 169 M CB -0.365 32.278 32.600 0.070 0.000 1.351 169 M HN 0.388 8.678 8.290 -0.000 0.000 0.404 170 T N -2.569 112.030 114.554 0.074 0.000 3.148 170 T HA 0.044 1.561 4.350 -4.721 0.000 0.253 170 T C 0.461 175.217 174.700 0.094 0.000 1.134 170 T CA -0.007 62.131 62.100 0.064 0.000 1.051 170 T CB -0.258 68.632 68.868 0.035 0.000 0.959 170 T HN 0.391 8.631 8.240 -0.000 0.000 0.525 171 E N 1.506 121.797 120.200 0.152 0.000 2.259 171 E HA 0.367 1.885 4.350 -4.721 0.000 0.281 171 E C -0.777 175.938 176.600 0.191 0.000 1.027 171 E CA -0.641 55.871 56.400 0.187 0.000 0.838 171 E CB 1.171 31.017 29.700 0.244 0.000 1.066 171 E HN 0.069 8.429 8.360 -0.000 0.000 0.401 172 V N 4.967 124.938 119.914 0.096 0.000 2.572 172 V HA 0.005 1.292 4.120 -4.721 0.000 0.291 172 V C 0.205 176.277 176.094 -0.037 0.000 1.039 172 V CA -0.319 61.965 62.300 -0.027 0.000 1.055 172 V CB 1.173 32.929 31.823 -0.112 0.000 0.969 172 V HN 0.491 8.681 8.190 -0.000 0.000 0.482 173 V N 7.717 127.537 119.914 -0.156 0.000 2.530 173 V HA 0.463 1.751 4.120 -4.721 0.000 0.282 173 V C 0.449 176.454 176.094 -0.149 0.000 1.048 173 V CA -0.122 62.052 62.300 -0.209 0.000 0.997 173 V CB 0.623 32.192 31.823 -0.424 0.000 0.987 173 V HN 1.069 9.259 8.190 -0.000 0.000 0.477 174 R N 3.674 124.162 120.500 -0.021 0.000 2.795 174 R HA 0.666 2.173 4.340 -4.721 0.000 0.268 174 R C -0.818 175.551 176.300 0.115 0.000 1.041 174 R CA -1.238 54.917 56.100 0.093 0.000 0.927 174 R CB 1.689 32.087 30.300 0.163 0.000 1.235 174 R HN 0.411 8.681 8.270 -0.000 0.000 0.463 175 R N 0.217 120.805 120.500 0.146 0.000 2.738 175 R HA 0.166 1.674 4.340 -4.721 0.000 0.268 175 R C 0.486 176.870 176.300 0.139 0.000 1.062 175 R CA -0.074 56.105 56.100 0.132 0.000 1.158 175 R CB 0.335 30.710 30.300 0.125 0.000 1.046 175 R HN 0.781 9.051 8.270 -0.000 0.000 0.493 176 C N 0.972 120.369 119.300 0.162 0.000 2.639 176 C HA 0.289 1.917 4.460 -4.721 0.000 0.360 176 C C -1.244 173.827 174.990 0.134 0.000 1.351 176 C CA -1.543 57.568 59.018 0.154 0.000 2.408 176 C CB 0.522 28.372 27.740 0.185 0.000 2.517 176 C HN 0.599 8.829 8.230 -0.000 0.000 0.696 177 P HA -0.149 4.271 4.420 -0.000 0.000 0.216 177 P C 1.685 179.032 177.300 0.078 0.000 1.153 177 P CA 1.863 65.013 63.100 0.083 0.000 0.848 177 P CB -0.453 31.288 31.700 0.070 0.000 0.787 178 H N -0.734 118.321 119.070 -0.025 0.000 2.357 178 H HA -0.223 1.502 4.556 -4.719 0.000 0.296 178 H C 1.591 176.823 175.328 -0.161 0.000 1.108 178 H CA 1.948 57.922 56.048 -0.124 0.000 1.273 178 H CB -0.212 29.419 29.762 -0.218 0.000 1.367 178 H HN 0.258 8.538 8.280 -0.000 0.000 0.498 179 H N -0.600 118.389 119.070 -0.135 0.000 2.431 179 H HA -0.002 1.726 4.556 -4.712 0.000 0.295 179 H C 2.479 177.755 175.328 -0.088 0.000 1.038 179 H CA 0.713 56.644 56.048 -0.194 0.000 1.360 179 H CB 0.224 29.926 29.762 -0.100 0.000 1.433 179 H HN 0.468 8.748 8.280 -0.000 0.000 0.536 180 E N 1.320 121.571 120.200 0.084 0.000 2.049 180 E HA -0.251 1.267 4.350 -4.721 0.000 0.198 180 E C 2.054 178.664 176.600 0.016 0.000 1.007 180 E CA 1.693 58.125 56.400 0.054 0.000 0.809 180 E CB 0.035 29.774 29.700 0.065 0.000 0.749 180 E HN 0.472 8.832 8.360 -0.000 0.000 0.450 181 R N 0.608 121.111 120.500 0.005 0.000 2.449 181 R HA 0.181 1.688 4.340 -4.721 0.000 0.262 181 R C 0.834 177.121 176.300 -0.022 0.000 1.006 181 R CA 0.620 56.718 56.100 -0.003 0.000 1.104 181 R CB -1.723 28.584 30.300 0.011 0.000 1.206 181 R HN 0.445 8.715 8.270 -0.000 0.000 0.538 182 C N -2.177 117.095 119.300 -0.047 0.000 2.464 182 C HA 0.679 2.306 4.460 -4.721 0.000 0.398 182 C C 1.286 176.259 174.990 -0.029 0.000 1.451 182 C CA 0.072 59.054 59.018 -0.060 0.000 1.986 182 C CB 1.781 29.432 27.740 -0.150 0.000 2.004 182 C HN 0.320 8.550 8.230 -0.000 0.000 0.530 183 S N 1.274 116.961 115.700 -0.020 0.000 2.685 183 S HA 0.103 1.741 4.470 -4.721 0.000 0.240 183 S C 0.347 174.942 174.600 -0.009 0.000 0.967 183 S CA 0.420 58.614 58.200 -0.011 0.000 1.009 183 S CB -0.744 62.455 63.200 -0.003 0.000 0.776 183 S HN 0.912 9.222 8.310 -0.000 0.000 0.467 184 D N -0.228 120.165 120.400 -0.011 0.000 2.501 184 D HA 0.129 1.936 4.640 -4.721 0.000 0.224 184 D C 0.162 176.448 176.300 -0.023 0.000 1.202 184 D CA -0.266 53.730 54.000 -0.007 0.000 0.829 184 D CB -0.177 40.629 40.800 0.010 0.000 1.023 184 D HN 0.007 8.377 8.370 -0.000 0.000 0.499 185 S N 0.877 116.554 115.700 -0.037 0.000 2.560 185 S HA 0.033 1.671 4.470 -4.721 0.000 0.284 185 S C 0.870 175.439 174.600 -0.050 0.000 1.327 185 S CA -0.035 58.128 58.200 -0.061 0.000 1.055 185 S CB 0.592 63.749 63.200 -0.072 0.000 0.868 185 S HN 0.382 8.692 8.310 -0.000 0.000 0.506 186 D N 2.384 122.747 120.400 -0.062 0.000 2.339 186 D HA 0.159 1.967 4.640 -4.721 0.000 0.217 186 D C 1.223 177.497 176.300 -0.042 0.000 1.050 186 D CA 0.708 54.684 54.000 -0.039 0.000 0.856 186 D CB -0.507 40.281 40.800 -0.021 0.000 0.922 186 D HN 0.825 9.195 8.370 -0.000 0.000 0.518 187 G N 0.256 109.017 108.800 -0.064 0.000 2.199 187 G HA2 -0.306 0.822 3.960 -4.721 0.000 0.254 187 G HA3 -0.306 0.822 3.960 -4.721 0.000 0.254 187 G C 0.833 175.691 174.900 -0.070 0.000 0.982 187 G CA 0.575 45.639 45.100 -0.059 0.000 0.632 187 G HN 0.437 8.727 8.290 -0.000 0.000 0.529 188 L N -0.350 120.817 121.223 -0.092 0.000 2.600 188 L HA 0.596 2.104 4.340 -4.721 0.000 0.213 188 L C 1.796 178.455 176.870 -0.351 0.000 1.045 188 L CA 0.555 55.344 54.840 -0.085 0.000 0.863 188 L CB -0.113 41.985 42.059 0.064 0.000 1.189 188 L HN 0.365 8.595 8.230 -0.000 0.000 0.484 189 A N 1.241 123.735 122.820 -0.544 0.000 2.401 189 A HA 0.458 1.946 4.320 -4.721 0.000 0.259 189 A C -2.314 174.834 177.584 -0.728 0.000 1.103 189 A CA -1.048 50.308 52.037 -1.136 0.000 0.789 189 A CB -0.460 18.086 19.000 -0.756 0.000 1.035 189 A HN -0.057 8.093 8.150 -0.000 0.000 0.491 190 P HA 0.096 4.516 4.420 -0.000 0.000 0.266 190 P C -1.812 175.294 177.300 -0.323 0.000 1.195 190 P CA -0.951 61.835 63.100 -0.524 0.000 0.768 190 P CB 0.248 31.526 31.700 -0.704 0.000 0.838 191 P HA -0.137 4.283 4.420 -0.000 0.000 0.222 191 P C 0.974 178.266 177.300 -0.012 0.000 1.147 191 P CA 1.484 64.533 63.100 -0.084 0.000 0.790 191 P CB 0.171 31.838 31.700 -0.056 0.000 0.780 192 Q N -1.501 118.306 119.800 0.012 0.000 2.331 192 Q HA -0.025 1.482 4.340 -4.721 0.000 0.203 192 Q C 0.723 176.830 176.000 0.179 0.000 0.944 192 Q CA 0.214 56.084 55.803 0.111 0.000 0.892 192 Q CB -0.241 28.590 28.738 0.155 0.000 0.983 192 Q HN 0.556 8.826 8.270 -0.000 0.000 0.482 193 H N 1.141 120.155 119.070 -0.093 0.000 2.899 193 H HA -0.012 1.706 4.556 -4.729 0.000 0.303 193 H C 1.097 176.464 175.328 0.066 0.000 1.042 193 H CA -0.329 55.721 56.048 0.005 0.000 1.479 193 H CB 1.138 30.870 29.762 -0.049 0.000 1.493 193 H HN 0.222 8.502 8.280 -0.000 0.000 0.534 194 L N 4.691 126.020 121.223 0.176 0.000 2.017 194 L HA -0.064 1.444 4.340 -4.721 0.000 0.208 194 L C 0.495 177.418 176.870 0.088 0.000 1.073 194 L CA 1.564 56.476 54.840 0.120 0.000 0.745 194 L CB 0.143 42.263 42.059 0.102 0.000 0.894 194 L HN 0.522 8.752 8.230 -0.000 0.000 0.432 195 I N 0.283 120.904 120.570 0.084 0.000 2.359 195 I HA 0.268 1.606 4.170 -4.721 0.000 0.294 195 I C -0.079 176.169 176.117 0.218 0.000 0.987 195 I CA -0.368 60.930 61.300 -0.004 0.000 1.225 195 I CB 1.487 39.432 38.000 -0.092 0.000 1.366 195 I HN 0.071 8.281 8.210 -0.000 0.000 0.466 196 R N 3.997 124.600 120.500 0.173 0.000 2.854 196 R HA 0.791 2.299 4.340 -4.721 0.000 0.271 196 R C -1.414 174.984 176.300 0.163 0.000 0.994 196 R CA -1.022 55.253 56.100 0.291 0.000 0.945 196 R CB 2.859 33.263 30.300 0.174 0.000 1.194 196 R HN 0.312 8.582 8.270 -0.000 0.000 0.476 197 V N 1.858 121.833 119.914 0.101 0.000 2.495 197 V HA 0.207 1.495 4.120 -4.721 0.000 0.298 197 V C -0.202 175.888 176.094 -0.006 0.000 1.031 197 V CA -0.688 61.562 62.300 -0.082 0.000 0.871 197 V CB 1.641 33.314 31.823 -0.250 0.000 0.988 197 V HN 0.802 8.992 8.190 -0.000 0.000 0.432 198 E N 3.164 123.361 120.200 -0.005 0.000 2.214 198 E HA 0.652 2.170 4.350 -4.721 0.000 0.274 198 E C 0.608 177.215 176.600 0.013 0.000 0.977 198 E CA -0.142 56.274 56.400 0.028 0.000 0.827 198 E CB 1.627 31.358 29.700 0.052 0.000 1.130 198 E HN 1.028 9.388 8.360 -0.000 0.000 0.394 199 G N 2.299 111.106 108.800 0.011 0.000 2.149 199 G HA2 -0.245 0.883 3.960 -4.721 0.000 0.235 199 G HA3 -0.245 0.883 3.960 -4.721 0.000 0.235 199 G C -0.523 174.354 174.900 -0.039 0.000 1.018 199 G CA 0.150 45.252 45.100 0.002 0.000 0.728 199 G HN 0.645 8.935 8.290 -0.000 0.000 0.508 200 N N -0.393 118.280 118.700 -0.046 0.000 2.571 200 N HA 0.339 2.247 4.740 -4.721 0.000 0.286 200 N C 0.943 176.425 175.510 -0.046 0.000 1.138 200 N CA -0.683 52.325 53.050 -0.070 0.000 0.859 200 N CB 1.151 39.570 38.487 -0.114 0.000 1.414 200 N HN 0.015 8.395 8.380 -0.000 0.000 0.529 201 L N 2.395 123.595 121.223 -0.039 0.000 2.610 201 L HA 0.187 1.694 4.340 -4.721 0.000 0.232 201 L C 1.686 178.539 176.870 -0.029 0.000 1.149 201 L CA 0.486 55.312 54.840 -0.024 0.000 0.872 201 L CB 0.098 42.145 42.059 -0.020 0.000 0.992 201 L HN 0.290 8.520 8.230 -0.000 0.000 0.447 202 R N -0.723 119.747 120.500 -0.049 0.000 2.393 202 R HA 0.167 1.674 4.340 -4.721 0.000 0.244 202 R C 0.385 176.640 176.300 -0.075 0.000 0.920 202 R CA -0.220 55.847 56.100 -0.055 0.000 1.076 202 R CB 0.523 30.785 30.300 -0.063 0.000 1.119 202 R HN 0.062 8.332 8.270 -0.000 0.000 0.524 203 V N 2.179 122.040 119.914 -0.088 0.000 2.788 203 V HA -0.075 1.213 4.120 -4.721 0.000 0.307 203 V C 0.086 176.093 176.094 -0.146 0.000 1.069 203 V CA 0.702 62.907 62.300 -0.159 0.000 1.173 203 V CB 0.937 32.666 31.823 -0.157 0.000 0.925 203 V HN 0.306 8.496 8.190 -0.000 0.000 0.492 204 E N 4.696 124.739 120.200 -0.262 0.000 2.331 204 E HA 0.449 1.966 4.350 -4.721 0.000 0.275 204 E C -2.091 174.316 176.600 -0.322 0.000 0.895 204 E CA -0.705 55.601 56.400 -0.156 0.000 0.753 204 E CB 1.860 31.512 29.700 -0.079 0.000 1.216 204 E HN 0.674 9.034 8.360 -0.000 0.000 0.434 205 Y N 2.424 122.716 120.300 -0.013 0.000 2.409 205 Y HA 0.506 2.223 4.550 -4.722 0.000 0.343 205 Y C -0.598 175.328 175.900 0.043 0.000 0.973 205 Y CA -0.946 57.154 58.100 -0.000 0.000 1.064 205 Y CB 1.861 40.202 38.460 -0.199 0.000 1.207 205 Y HN 0.423 8.703 8.280 -0.000 0.000 0.452 206 L N 3.934 125.337 121.223 0.300 0.000 2.381 206 L HA 0.571 2.079 4.340 -4.721 0.000 0.274 206 L C -1.448 175.623 176.870 0.335 0.000 0.988 206 L CA -0.671 54.308 54.840 0.231 0.000 0.824 206 L CB 1.414 43.554 42.059 0.135 0.000 1.263 206 L HN 0.498 8.728 8.230 -0.000 0.000 0.410 207 D N 3.986 124.557 120.400 0.285 0.000 2.380 207 D HA 0.143 1.951 4.640 -4.721 0.000 0.230 207 D C -0.482 175.948 176.300 0.216 0.000 1.154 207 D CA 0.039 54.229 54.000 0.317 0.000 0.859 207 D CB 1.038 42.011 40.800 0.289 0.000 1.045 207 D HN 0.514 8.884 8.370 -0.000 0.000 0.495 208 D N 1.548 122.048 120.400 0.166 0.000 2.450 208 D HA -0.052 1.756 4.640 -4.721 0.000 0.247 208 D C 1.319 177.652 176.300 0.055 0.000 1.162 208 D CA -0.144 53.894 54.000 0.063 0.000 0.879 208 D CB 1.024 41.816 40.800 -0.014 0.000 1.163 208 D HN 0.353 8.723 8.370 -0.000 0.000 0.472 209 R N 3.056 123.582 120.500 0.044 0.000 2.189 209 R HA -0.060 1.448 4.340 -4.721 0.000 0.218 209 R C 0.968 177.243 176.300 -0.043 0.000 1.074 209 R CA 1.309 57.456 56.100 0.080 0.000 0.991 209 R CB -0.219 30.127 30.300 0.076 0.000 0.883 209 R HN 0.364 8.634 8.270 -0.000 0.000 0.457 210 N N -0.505 118.074 118.700 -0.201 0.000 2.387 210 N HA -0.042 1.866 4.740 -4.721 0.000 0.176 210 N C 0.892 175.913 175.510 -0.816 0.000 1.022 210 N CA 1.218 54.053 53.050 -0.358 0.000 0.883 210 N CB 0.438 38.809 38.487 -0.194 0.000 1.019 210 N HN 0.433 8.813 8.380 -0.000 0.000 0.435 211 T N -2.996 111.125 114.554 -0.722 0.000 2.985 211 T HA 0.187 1.704 4.350 -4.721 0.000 0.254 211 T C 0.260 174.563 174.700 -0.661 0.000 1.021 211 T CA -0.235 61.461 62.100 -0.674 0.000 0.957 211 T CB -0.086 68.622 68.868 -0.267 0.000 1.047 211 T HN 0.154 8.394 8.240 -0.000 0.000 0.511 212 F N 0.042 120.008 119.950 0.026 0.000 2.825 212 F HA -0.180 1.514 4.527 -4.723 0.000 0.358 212 F C 0.505 176.306 175.800 0.002 0.000 0.639 212 F CA -0.371 57.651 58.000 0.037 0.000 1.153 212 F CB -2.186 36.830 39.000 0.026 0.000 1.610 212 F HN 0.221 8.521 8.300 -0.000 0.000 0.305 213 R N 1.564 122.083 120.500 0.032 0.000 2.537 213 R HA 0.209 1.716 4.340 -4.721 0.000 0.280 213 R C 0.271 176.606 176.300 0.059 0.000 1.058 213 R CA 0.030 56.110 56.100 -0.032 0.000 1.057 213 R CB 0.062 30.335 30.300 -0.045 0.000 0.973 213 R HN 0.486 8.756 8.270 -0.000 0.000 0.438 214 H N 0.009 119.018 119.070 -0.102 0.000 2.525 214 H HA 0.262 1.982 4.556 -4.726 0.000 0.339 214 H C 0.256 175.483 175.328 -0.167 0.000 1.109 214 H CA -0.464 55.415 56.048 -0.282 0.000 1.352 214 H CB 1.298 30.572 29.762 -0.814 0.000 1.461 214 H HN 0.665 8.945 8.280 -0.000 0.000 0.533 215 S N 1.787 117.559 115.700 0.120 0.000 2.570 215 S HA 0.463 2.100 4.470 -4.721 0.000 0.270 215 S C -1.335 173.372 174.600 0.179 0.000 1.149 215 S CA -0.952 57.316 58.200 0.114 0.000 0.837 215 S CB 1.939 65.177 63.200 0.064 0.000 1.124 215 S HN 0.415 8.725 8.310 -0.000 0.000 0.465 216 V N 1.856 121.817 119.914 0.077 0.000 2.540 216 V HA 0.812 2.100 4.120 -4.721 0.000 0.302 216 V C -1.173 174.871 176.094 -0.084 0.000 1.035 216 V CA -0.464 61.767 62.300 -0.116 0.000 0.873 216 V CB 1.372 33.100 31.823 -0.158 0.000 0.992 216 V HN 1.029 9.219 8.190 -0.000 0.000 0.428 217 V N 6.425 126.241 119.914 -0.164 0.000 2.769 217 V HA 0.837 2.125 4.120 -4.721 0.000 0.312 217 V C -0.225 175.787 176.094 -0.137 0.000 1.061 217 V CA -0.576 61.667 62.300 -0.095 0.000 0.931 217 V CB 1.614 33.395 31.823 -0.070 0.000 1.010 217 V HN 0.974 9.164 8.190 -0.000 0.000 0.433 218 V N 0.547 120.404 119.914 -0.095 0.000 3.040 218 V HA 0.753 2.041 4.120 -4.721 0.000 0.312 218 V C -2.972 173.078 176.094 -0.073 0.000 1.115 218 V CA -2.970 59.263 62.300 -0.111 0.000 0.998 218 V CB 1.903 33.637 31.823 -0.149 0.000 1.042 218 V HN 0.682 8.872 8.190 -0.000 0.000 0.433 219 P HA 0.136 4.556 4.420 -0.000 0.000 0.268 219 P C -1.194 176.077 177.300 -0.049 0.000 1.204 219 P CA 0.302 63.370 63.100 -0.053 0.000 0.768 219 P CB -0.025 31.634 31.700 -0.069 0.000 0.842 220 Y N 2.983 123.213 120.300 -0.116 0.000 2.436 220 Y HA 0.121 1.834 4.550 -4.729 0.000 0.336 220 Y C 0.294 176.125 175.900 -0.115 0.000 1.049 220 Y CA 0.293 58.320 58.100 -0.122 0.000 1.294 220 Y CB 0.463 38.834 38.460 -0.150 0.000 1.179 220 Y HN 0.336 8.616 8.280 -0.000 0.000 0.520 221 E N 9.244 128.991 120.200 -0.754 0.000 2.145 221 E HA 0.255 1.773 4.350 -4.721 0.000 0.270 221 E C -2.539 173.548 176.600 -0.855 0.000 0.906 221 E CA -2.183 53.878 56.400 -0.565 0.000 0.761 221 E CB 1.303 30.787 29.700 -0.361 0.000 1.116 221 E HN 0.508 8.868 8.360 -0.000 0.000 0.408 222 P HA 0.113 4.533 4.420 -0.000 0.000 0.269 222 P C -2.503 174.641 177.300 -0.260 0.000 1.215 222 P CA -1.292 61.646 63.100 -0.270 0.000 0.780 222 P CB -0.395 31.308 31.700 0.006 0.000 0.898 223 P HA 0.065 4.485 4.420 -0.000 0.000 0.267 223 P C 0.149 177.364 177.300 -0.142 0.000 1.200 223 P CA 0.190 63.171 63.100 -0.199 0.000 0.772 223 P CB 0.233 31.817 31.700 -0.194 0.000 0.855 224 E N 1.649 121.768 120.200 -0.137 0.000 2.442 224 E HA 0.026 1.544 4.350 -4.721 0.000 0.262 224 E C -0.464 176.090 176.600 -0.077 0.000 1.004 224 E CA -0.426 55.914 56.400 -0.099 0.000 0.928 224 E CB 0.429 30.073 29.700 -0.093 0.000 0.937 224 E HN 0.098 8.458 8.360 -0.000 0.000 0.446 225 V N 4.169 124.050 119.914 -0.056 0.000 2.644 225 V HA 0.054 1.341 4.120 -4.721 0.000 0.305 225 V C 1.455 177.526 176.094 -0.038 0.000 1.053 225 V CA 1.766 64.042 62.300 -0.039 0.000 1.186 225 V CB 0.325 32.131 31.823 -0.028 0.000 0.895 225 V HN 1.069 9.259 8.190 -0.000 0.000 0.490 226 G N 3.773 112.554 108.800 -0.032 0.000 2.176 226 G HA2 -0.221 0.907 3.960 -4.721 0.000 0.253 226 G HA3 -0.221 0.907 3.960 -4.721 0.000 0.253 226 G C 0.235 175.110 174.900 -0.041 0.000 0.979 226 G CA 0.160 45.244 45.100 -0.027 0.000 0.641 226 G HN 0.800 9.090 8.290 -0.000 0.000 0.530 227 S N -0.137 115.520 115.700 -0.071 0.000 2.537 227 S HA 0.598 2.236 4.470 -4.721 0.000 0.301 227 S C 0.308 174.815 174.600 -0.156 0.000 1.092 227 S CA -0.560 57.573 58.200 -0.112 0.000 1.048 227 S CB 1.785 64.902 63.200 -0.138 0.000 1.053 227 S HN 0.164 8.474 8.310 -0.000 0.000 0.501 228 D N 0.510 120.765 120.400 -0.242 0.000 2.366 228 D HA 0.159 1.966 4.640 -4.721 0.000 0.205 228 D C 0.686 176.512 176.300 -0.791 0.000 1.022 228 D CA 0.558 54.335 54.000 -0.370 0.000 0.868 228 D CB 0.261 40.893 40.800 -0.279 0.000 0.953 228 D HN 0.636 9.006 8.370 -0.000 0.000 0.514 229 C N -1.640 117.182 119.300 -0.795 0.000 3.332 229 C HA 0.762 2.390 4.460 -4.721 0.000 0.329 229 C C -0.410 174.287 174.990 -0.489 0.000 1.434 229 C CA -0.802 57.687 59.018 -0.882 0.000 1.314 229 C CB 1.469 28.194 27.740 -1.691 0.000 1.664 229 C HN -0.004 8.226 8.230 -0.000 0.000 0.457 230 T N 1.426 115.745 114.554 -0.393 0.000 2.855 230 T HA 0.692 2.209 4.350 -4.721 0.000 0.281 230 T C -0.362 174.188 174.700 -0.250 0.000 1.007 230 T CA -0.120 61.793 62.100 -0.313 0.000 1.009 230 T CB 1.508 70.160 68.868 -0.360 0.000 0.983 230 T HN 0.875 9.115 8.240 -0.000 0.000 0.455 231 T N 2.927 117.333 114.554 -0.248 0.000 2.807 231 T HA 0.614 2.132 4.350 -4.721 0.000 0.279 231 T C -0.243 174.277 174.700 -0.300 0.000 0.993 231 T CA -0.506 61.462 62.100 -0.220 0.000 0.970 231 T CB 0.638 69.389 68.868 -0.195 0.000 0.950 231 T HN 0.429 8.669 8.240 -0.000 0.000 0.441 232 I N 2.462 122.897 120.570 -0.225 0.000 2.404 232 I HA 0.310 1.647 4.170 -4.721 0.000 0.293 232 I C -0.066 175.907 176.117 -0.241 0.000 0.992 232 I CA -0.858 60.239 61.300 -0.339 0.000 1.149 232 I CB 1.423 39.184 38.000 -0.399 0.000 1.315 232 I HN 0.680 8.890 8.210 -0.000 0.000 0.446 233 H N 5.888 124.831 119.070 -0.211 0.000 2.872 233 H HA 0.273 1.978 4.556 -4.751 0.000 0.273 233 H C -1.057 174.167 175.328 -0.174 0.000 1.205 233 H CA -0.542 55.442 56.048 -0.107 0.000 1.342 233 H CB 0.206 29.934 29.762 -0.056 0.000 1.469 233 H HN 0.402 8.682 8.280 -0.000 0.000 0.487 234 Y N 1.803 122.192 120.300 0.148 0.000 2.300 234 Y HA 0.139 4.810 4.550 0.202 0.000 0.328 234 Y C 0.579 176.489 175.900 0.017 0.000 1.270 234 Y CA -0.347 57.774 58.100 0.034 0.000 1.352 234 Y CB 0.729 39.190 38.460 0.003 0.000 1.286 234 Y HN 0.620 8.900 8.280 -0.000 0.000 0.536 235 N N 0.863 119.610 118.700 0.078 0.000 2.310 235 N HA 0.243 2.151 4.740 -4.721 0.000 0.292 235 N C -1.917 173.533 175.510 -0.099 0.000 1.049 235 N CA -0.966 52.118 53.050 0.057 0.000 0.849 235 N CB 1.254 39.779 38.487 0.064 0.000 1.532 235 N HN 0.460 8.840 8.380 -0.000 0.000 0.479 236 Y N 1.359 121.729 120.300 0.117 0.000 2.331 236 Y HA 0.317 2.056 4.550 -4.684 0.000 0.338 236 Y C 1.130 177.036 175.900 0.011 0.000 0.992 236 Y CA -0.605 57.537 58.100 0.070 0.000 1.121 236 Y CB 1.363 39.857 38.460 0.056 0.000 1.184 236 Y HN 0.375 8.655 8.280 -0.000 0.000 0.469 237 M N 1.732 121.386 119.600 0.090 0.000 2.356 237 M HA 0.208 1.856 4.480 -4.721 0.000 0.262 237 M C -0.662 175.523 176.300 -0.191 0.000 1.097 237 M CA 0.091 55.372 55.300 -0.032 0.000 0.991 237 M CB -0.442 32.151 32.600 -0.012 0.000 1.450 237 M HN 0.505 8.795 8.290 -0.000 0.000 0.495 238 C N 0.529 119.762 119.300 -0.112 0.000 2.898 238 C HA 0.548 2.175 4.460 -4.721 0.000 0.304 238 C C 0.342 175.306 174.990 -0.042 0.000 1.237 238 C CA -1.145 57.771 59.018 -0.170 0.000 1.529 238 C CB 2.101 29.846 27.740 0.008 0.000 2.021 238 C HN 0.367 8.597 8.230 -0.000 0.000 0.474 239 N N 0.736 119.438 118.700 0.004 0.000 2.445 239 N HA 0.185 2.093 4.740 -4.721 0.000 0.264 239 N C 1.008 176.545 175.510 0.045 0.000 1.227 239 N CA -0.036 53.039 53.050 0.043 0.000 0.963 239 N CB 1.149 39.687 38.487 0.084 0.000 1.188 239 N HN 0.642 9.022 8.380 -0.000 0.000 0.491 240 S N 0.368 116.082 115.700 0.023 0.000 2.392 240 S HA -0.179 1.459 4.470 -4.721 0.000 0.232 240 S C 1.928 176.554 174.600 0.044 0.000 1.041 240 S CA 1.839 60.050 58.200 0.019 0.000 1.026 240 S CB -0.242 62.957 63.200 -0.003 0.000 0.845 240 S HN 0.741 9.051 8.310 -0.000 0.000 0.465 241 S N 0.618 116.352 115.700 0.056 0.000 2.423 241 S HA -0.106 1.531 4.470 -4.721 0.000 0.231 241 S C 1.963 176.611 174.600 0.081 0.000 1.014 241 S CA 1.081 59.318 58.200 0.061 0.000 0.965 241 S CB -1.030 62.208 63.200 0.064 0.000 0.785 241 S HN 0.625 8.935 8.310 -0.000 0.000 0.495 242 C N 2.268 121.636 119.300 0.113 0.000 2.419 242 C HA 0.189 1.817 4.460 -4.721 0.000 0.281 242 C C 1.288 176.347 174.990 0.116 0.000 1.336 242 C CA -0.081 59.023 59.018 0.143 0.000 1.770 242 C CB -1.248 26.615 27.740 0.205 0.000 1.929 242 C HN 0.547 8.777 8.230 -0.000 0.000 0.509 243 M N 1.495 121.155 119.600 0.101 0.000 2.188 243 M HA 0.205 1.853 4.480 -4.721 0.000 0.354 243 M C 1.391 177.740 176.300 0.081 0.000 1.342 243 M CA -0.169 55.207 55.300 0.126 0.000 1.117 243 M CB -0.411 32.281 32.600 0.154 0.000 1.670 243 M HN 0.314 8.604 8.290 -0.000 0.000 0.466 244 G N 2.437 111.281 108.800 0.072 0.000 2.448 244 G HA2 -0.040 1.087 3.960 -4.721 0.000 0.218 244 G HA3 -0.040 1.087 3.960 -4.721 0.000 0.218 244 G C 1.226 175.976 174.900 -0.249 0.000 1.135 244 G CA 0.607 45.692 45.100 -0.026 0.000 0.784 244 G HN 0.872 9.162 8.290 -0.000 0.000 0.543 245 G N -0.137 108.327 108.800 -0.560 0.000 2.813 245 G HA2 0.203 1.331 3.960 -4.721 0.000 0.209 245 G HA3 0.203 1.331 3.960 -4.721 0.000 0.209 245 G C 0.841 175.306 174.900 -0.726 0.000 1.150 245 G CA 0.073 44.276 45.100 -1.495 0.000 0.785 245 G HN 0.328 8.618 8.290 -0.000 0.000 0.535 249 S N 1.410 117.070 115.700 -0.066 0.000 2.592 249 S HA 0.439 2.077 4.470 -4.721 0.000 0.275 249 S C -2.815 171.825 174.600 0.066 0.000 1.169 249 S CA -1.248 56.958 58.200 0.010 0.000 0.958 249 S CB 1.612 64.827 63.200 0.024 0.000 1.095 249 S HN -0.097 8.213 8.310 -0.000 0.000 0.471 250 P HA 0.321 4.741 4.420 -0.000 0.000 0.271 250 P C -0.726 176.601 177.300 0.045 0.000 1.233 250 P CA -0.280 62.834 63.100 0.023 0.000 0.789 250 P CB 0.458 32.147 31.700 -0.018 0.000 0.951 251 I N 0.936 121.477 120.570 -0.049 0.000 2.392 251 I HA 0.260 1.597 4.170 -4.721 0.000 0.295 251 I C 0.168 176.184 176.117 -0.167 0.000 0.985 251 I CA -0.859 60.356 61.300 -0.141 0.000 1.221 251 I CB 1.258 39.135 38.000 -0.204 0.000 1.366 251 I HN 0.152 8.362 8.210 -0.000 0.000 0.467 252 L N 5.795 126.912 121.223 -0.177 0.000 2.313 252 L HA 0.458 1.966 4.340 -4.721 0.000 0.283 252 L C -0.233 176.465 176.870 -0.286 0.000 1.013 252 L CA 0.070 54.785 54.840 -0.209 0.000 0.816 252 L CB 1.802 43.784 42.059 -0.128 0.000 1.236 252 L HN 0.494 8.724 8.230 -0.000 0.000 0.419 253 T N 6.133 120.386 114.554 -0.502 0.000 2.780 253 T HA 0.531 2.048 4.350 -4.721 0.000 0.294 253 T C 0.061 174.481 174.700 -0.466 0.000 0.949 253 T CA 0.058 61.819 62.100 -0.565 0.000 1.074 253 T CB 0.197 68.531 68.868 -0.891 0.000 0.910 253 T HN 0.352 8.592 8.240 -0.000 0.000 0.501 254 I N 4.413 124.846 120.570 -0.229 0.000 2.354 254 I HA 0.382 1.720 4.170 -4.721 0.000 0.292 254 I C -0.392 175.715 176.117 -0.017 0.000 0.989 254 I CA -0.914 60.333 61.300 -0.089 0.000 1.188 254 I CB 1.259 39.236 38.000 -0.038 0.000 1.342 254 I HN 0.330 8.540 8.210 -0.000 0.000 0.457 255 I N 5.393 126.025 120.570 0.104 0.000 2.378 255 I HA 0.372 1.709 4.170 -4.721 0.000 0.291 255 I C 0.155 176.447 176.117 0.291 0.000 0.992 255 I CA -0.423 61.012 61.300 0.225 0.000 1.154 255 I CB 1.407 39.633 38.000 0.377 0.000 1.315 255 I HN 0.547 8.757 8.210 -0.000 0.000 0.448 256 T N 4.094 118.752 114.554 0.173 0.000 2.841 256 T HA 0.651 2.169 4.350 -4.721 0.000 0.283 256 T C -0.576 174.052 174.700 -0.120 0.000 1.000 256 T CA -0.760 61.384 62.100 0.074 0.000 0.977 256 T CB 2.290 71.177 68.868 0.032 0.000 0.979 256 T HN 0.228 8.468 8.240 -0.000 0.000 0.446 257 L N 2.781 123.778 121.223 -0.378 0.000 2.312 257 L HA 0.608 2.115 4.340 -4.721 0.000 0.281 257 L C 0.114 176.833 176.870 -0.252 0.000 1.070 257 L CA -0.023 54.517 54.840 -0.499 0.000 0.805 257 L CB 0.751 42.236 42.059 -0.957 0.000 1.174 257 L HN 0.963 9.193 8.230 -0.000 0.000 0.434 258 E N 1.788 121.872 120.200 -0.194 0.000 2.367 258 E HA 0.483 2.000 4.350 -4.721 0.000 0.273 258 E C -1.552 174.974 176.600 -0.122 0.000 0.903 258 E CA -0.958 55.367 56.400 -0.125 0.000 0.764 258 E CB 1.686 31.337 29.700 -0.082 0.000 1.252 258 E HN 0.543 8.903 8.360 -0.000 0.000 0.446 259 D N 0.872 121.218 120.400 -0.090 0.000 2.478 259 D HA 0.037 1.844 4.640 -4.721 0.000 0.269 259 D C 1.057 177.320 176.300 -0.063 0.000 1.232 259 D CA -0.023 53.925 54.000 -0.085 0.000 1.059 259 D CB 0.506 41.272 40.800 -0.056 0.000 1.104 259 D HN 0.438 8.808 8.370 -0.000 0.000 0.566 260 S N -1.245 114.424 115.700 -0.052 0.000 2.469 260 S HA -0.126 1.512 4.470 -4.721 0.000 0.238 260 S C 1.417 175.998 174.600 -0.031 0.000 0.998 260 S CA 0.775 58.952 58.200 -0.039 0.000 0.957 260 S CB -0.559 62.621 63.200 -0.033 0.000 0.764 260 S HN 0.392 8.701 8.310 -0.000 0.000 0.514 261 S N 0.343 116.025 115.700 -0.030 0.000 2.556 261 S HA 0.520 2.158 4.470 -4.721 0.000 0.216 261 S C 1.404 175.988 174.600 -0.026 0.000 0.970 261 S CA 0.150 58.336 58.200 -0.024 0.000 0.912 261 S CB 0.369 63.557 63.200 -0.020 0.000 0.790 261 S HN 0.981 9.291 8.310 -0.000 0.000 0.504 262 G N 2.361 111.141 108.800 -0.033 0.000 2.175 262 G HA2 -0.223 0.905 3.960 -4.721 0.000 0.244 262 G HA3 -0.223 0.905 3.960 -4.721 0.000 0.244 262 G C -0.253 174.624 174.900 -0.038 0.000 0.982 262 G CA -0.584 44.495 45.100 -0.034 0.000 0.641 262 G HN 0.454 8.744 8.290 -0.000 0.000 0.527 263 N N 0.753 119.431 118.700 -0.037 0.000 2.468 263 N HA 0.279 2.187 4.740 -4.721 0.000 0.265 263 N C 0.310 175.792 175.510 -0.047 0.000 1.199 263 N CA 0.053 53.081 53.050 -0.037 0.000 0.928 263 N CB 1.005 39.476 38.487 -0.026 0.000 1.059 263 N HN 0.151 8.531 8.380 -0.000 0.000 0.467 264 L N 2.828 124.019 121.223 -0.054 0.000 2.462 264 L HA 0.057 1.565 4.340 -4.721 0.000 0.272 264 L C 1.461 178.302 176.870 -0.048 0.000 1.166 264 L CA 0.537 55.340 54.840 -0.062 0.000 0.880 264 L CB 0.329 42.342 42.059 -0.075 0.000 1.142 264 L HN 0.511 8.741 8.230 -0.000 0.000 0.473 265 L N 2.471 123.672 121.223 -0.036 0.000 2.575 265 L HA 0.466 1.974 4.340 -4.721 0.000 0.228 265 L C 0.875 177.807 176.870 0.104 0.000 1.075 265 L CA 0.150 55.015 54.840 0.041 0.000 0.867 265 L CB 0.085 42.165 42.059 0.034 0.000 1.097 265 L HN 0.731 8.961 8.230 -0.000 0.000 0.485 266 G N 0.277 109.117 108.800 0.067 0.000 2.667 266 G HA2 0.571 1.699 3.960 -4.721 0.000 0.294 266 G HA3 0.571 1.699 3.960 -4.721 0.000 0.294 266 G C -1.925 173.161 174.900 0.310 0.000 1.467 266 G CA -0.532 44.731 45.100 0.272 0.000 0.852 266 G HN -0.064 8.226 8.290 -0.000 0.000 0.521 267 R N 0.724 121.506 120.500 0.470 0.000 2.584 267 R HA 0.590 2.098 4.340 -4.721 0.000 0.276 267 R C -1.427 175.074 176.300 0.334 0.000 1.046 267 R CA -0.749 55.582 56.100 0.385 0.000 0.906 267 R CB 1.615 32.048 30.300 0.223 0.000 1.215 267 R HN 0.581 8.851 8.270 -0.000 0.000 0.449 268 N N 0.279 119.148 118.700 0.282 0.000 2.774 268 N HA 0.488 2.396 4.740 -4.721 0.000 0.264 268 N C -1.792 173.822 175.510 0.174 0.000 1.415 268 N CA -0.531 52.614 53.050 0.158 0.000 0.815 268 N CB 2.336 40.824 38.487 0.000 0.000 1.514 268 N HN 0.710 9.090 8.380 -0.000 0.000 0.523 269 S N -0.557 115.258 115.700 0.191 0.000 2.552 269 S HA 0.776 2.414 4.470 -4.721 0.000 0.272 269 S C -1.613 173.153 174.600 0.277 0.000 1.150 269 S CA -0.933 57.340 58.200 0.122 0.000 0.849 269 S CB 1.067 64.286 63.200 0.031 0.000 1.113 269 S HN 0.470 8.780 8.310 -0.000 0.000 0.458 270 F N -0.926 119.081 119.950 0.095 0.000 2.645 270 F HA 0.821 2.427 4.527 -4.869 0.000 0.310 270 F C -0.502 175.289 175.800 -0.016 0.000 1.102 270 F CA -1.061 56.982 58.000 0.071 0.000 0.952 270 F CB 0.998 40.067 39.000 0.116 0.000 1.326 270 F HN 0.811 9.111 8.300 -0.000 0.000 0.456 271 E N 0.775 121.021 120.200 0.076 0.000 2.349 271 E HA 0.578 2.096 4.350 -4.721 0.000 0.265 271 E C -1.683 174.856 176.600 -0.102 0.000 1.064 271 E CA -0.834 55.516 56.400 -0.082 0.000 0.886 271 E CB 1.845 31.490 29.700 -0.092 0.000 1.036 271 E HN 0.707 9.067 8.360 -0.000 0.000 0.413 272 V N 4.670 124.445 119.914 -0.232 0.000 2.623 272 V HA 0.408 1.696 4.120 -4.721 0.000 0.304 272 V C -1.289 174.581 176.094 -0.373 0.000 1.054 272 V CA -0.625 61.481 62.300 -0.324 0.000 0.882 272 V CB 1.709 33.258 31.823 -0.457 0.000 1.002 272 V HN 0.703 8.893 8.190 -0.000 0.000 0.424 273 R N 5.092 125.329 120.500 -0.439 0.000 2.343 273 R HA 0.708 2.216 4.340 -4.721 0.000 0.320 273 R C -1.628 174.561 176.300 -0.185 0.000 0.956 273 R CA -0.445 55.477 56.100 -0.298 0.000 0.836 273 R CB 1.876 31.993 30.300 -0.305 0.000 1.151 273 R HN 0.593 8.863 8.270 -0.000 0.000 0.450 274 V N 5.426 125.269 119.914 -0.118 0.000 2.350 274 V HA 0.354 1.642 4.120 -4.721 0.000 0.276 274 V C 0.204 176.310 176.094 0.020 0.000 1.028 274 V CA -0.555 61.720 62.300 -0.042 0.000 0.860 274 V CB 0.521 32.327 31.823 -0.028 0.000 0.990 274 V HN 0.968 9.158 8.190 -0.000 0.000 0.453 275 C N 2.548 121.881 119.300 0.056 0.000 3.291 275 C HA 0.894 2.521 4.460 -4.721 0.000 0.316 275 C C 1.472 176.507 174.990 0.074 0.000 1.391 275 C CA -0.135 58.927 59.018 0.073 0.000 1.394 275 C CB 1.373 29.173 27.740 0.100 0.000 1.744 275 C HN 0.862 9.092 8.230 -0.000 0.000 0.461 276 A N -0.480 122.379 122.820 0.066 0.000 1.898 276 A HA 0.106 1.594 4.320 -4.721 0.000 0.216 276 A C 1.008 178.624 177.584 0.053 0.000 1.181 276 A CA 1.798 53.870 52.037 0.058 0.000 0.620 276 A CB -0.770 18.260 19.000 0.050 0.000 0.819 276 A HN 1.177 9.327 8.150 -0.000 0.000 0.442 277 C N -0.699 118.631 119.300 0.050 0.000 3.003 277 C HA 0.422 2.050 4.460 -4.721 0.000 0.241 277 C C -1.698 173.312 174.990 0.033 0.000 1.224 277 C CA -1.000 58.038 59.018 0.034 0.000 1.560 277 C CB 0.268 28.016 27.740 0.014 0.000 1.768 277 C HN 0.344 8.574 8.230 -0.000 0.000 0.440 278 P HA -0.135 4.285 4.420 -0.000 0.000 0.215 278 P C 1.809 179.075 177.300 -0.058 0.000 1.157 278 P CA 2.042 65.195 63.100 0.088 0.000 0.874 278 P CB 0.170 31.947 31.700 0.127 0.000 0.790 279 G N -0.425 108.344 108.800 -0.053 0.000 2.422 279 G HA2 -0.265 0.862 3.960 -4.721 0.000 0.218 279 G HA3 -0.265 0.862 3.960 -4.721 0.000 0.218 279 G C 1.743 176.552 174.900 -0.152 0.000 1.146 279 G CA 0.655 45.692 45.100 -0.106 0.000 0.769 279 G HN 0.222 8.512 8.290 -0.000 0.000 0.547 280 R N 0.355 120.791 120.500 -0.106 0.000 2.062 280 R HA -0.071 1.437 4.340 -4.721 0.000 0.231 280 R C 2.025 178.233 176.300 -0.153 0.000 1.136 280 R CA 1.694 57.733 56.100 -0.102 0.000 0.948 280 R CB -0.319 29.950 30.300 -0.052 0.000 0.845 280 R HN 0.164 8.434 8.270 -0.000 0.000 0.430 281 D N 0.131 120.441 120.400 -0.150 0.000 2.144 281 D HA -0.194 1.613 4.640 -4.721 0.000 0.199 281 D C 1.914 177.925 176.300 -0.481 0.000 0.984 281 D CA 1.097 55.001 54.000 -0.160 0.000 0.834 281 D CB -0.273 40.554 40.800 0.045 0.000 0.955 281 D HN 0.311 8.681 8.370 -0.000 0.000 0.465 282 R N 0.764 120.676 120.500 -0.980 0.000 2.073 282 R HA -0.111 1.397 4.340 -4.721 0.000 0.234 282 R C 2.254 178.234 176.300 -0.532 0.000 1.134 282 R CA 1.175 56.485 56.100 -1.316 0.000 0.952 282 R CB -0.019 29.547 30.300 -1.222 0.000 0.850 282 R HN -0.040 8.230 8.270 -0.000 0.000 0.433 283 R N -0.173 120.119 120.500 -0.346 0.000 2.094 283 R HA -0.122 1.386 4.340 -4.721 0.000 0.239 283 R C 2.225 178.435 176.300 -0.149 0.000 1.137 283 R CA 2.669 58.653 56.100 -0.195 0.000 0.943 283 R CB -0.631 29.584 30.300 -0.142 0.000 0.850 283 R HN 0.290 8.560 8.270 -0.000 0.000 0.433 284 T N 0.438 114.909 114.554 -0.140 0.000 2.652 284 T HA -0.146 1.372 4.350 -4.721 0.000 0.267 284 T C 1.472 176.132 174.700 -0.066 0.000 1.039 284 T CA 1.690 63.740 62.100 -0.084 0.000 1.153 284 T CB -0.190 68.640 68.868 -0.063 0.000 0.863 284 T HN 0.405 8.645 8.240 -0.000 0.000 0.428 285 E N 0.764 120.916 120.200 -0.080 0.000 2.110 285 E HA -0.137 1.380 4.350 -4.721 0.000 0.193 285 E C 2.303 178.892 176.600 -0.019 0.000 0.988 285 E CA 0.966 57.362 56.400 -0.007 0.000 0.804 285 E CB -0.105 29.663 29.700 0.114 0.000 0.745 285 E HN 0.620 8.980 8.360 -0.000 0.000 0.458 286 E N 0.733 120.893 120.200 -0.068 0.000 2.152 286 E HA -0.187 1.331 4.350 -4.721 0.000 0.192 286 E C 1.994 178.567 176.600 -0.044 0.000 0.983 286 E CA 0.624 56.991 56.400 -0.056 0.000 0.818 286 E CB 0.015 29.664 29.700 -0.085 0.000 0.758 286 E HN 0.259 8.619 8.360 -0.000 0.000 0.467 287 E N 1.061 121.231 120.200 -0.048 0.000 2.110 287 E HA -0.142 1.375 4.350 -4.721 0.000 0.193 287 E C 0.468 177.055 176.600 -0.023 0.000 0.988 287 E CA 0.637 57.015 56.400 -0.036 0.000 0.804 287 E CB 0.225 29.903 29.700 -0.037 0.000 0.745 287 E HN 0.076 8.436 8.360 -0.000 0.000 0.458 288 N N 0.000 118.689 118.700 -0.019 0.000 1.763 288 N HA 0.000 1.908 4.740 -4.721 0.000 0.220 288 N CA 0.000 53.045 53.050 -0.009 0.000 0.885 288 N CB 0.000 38.486 38.487 -0.001 0.000 1.341 288 N HN 0.000 8.380 8.380 -0.000 0.000 0.667