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 1bm6_1_A DATA FIRST_RESID 83 DATA SEQUENCE FRTFPGIPKW RKTHLTYRIV NYTPDLPKDA VDSAVEKALK VWEEVTPLTF DATA SEQUENCE SRLYEGEADI MISFAVREHG DFYPFDGPGN VLAHAYAPGP GINGDAHFDD DATA SEQUENCE DEQWTKDTTG TNLFLVAAHE IGHSLGLFHS ANTEALMYPL YHSLTDLTRF DATA SEQUENCE RLSQDDINGI QSLYGPPPDS PET 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 83 F HA 0.000 4.560 4.527 0.055 0.000 0.279 83 F C 0.000 175.837 175.800 0.062 0.000 0.967 83 F CA 0.000 58.028 58.000 0.047 0.000 1.383 83 F CB 0.000 39.025 39.000 0.042 0.000 1.145 84 R N 0.583 121.110 120.500 0.045 0.000 3.304 84 R HA 0.157 4.757 4.340 0.242 -0.114 0.262 84 R C -1.271 174.889 176.300 -0.234 0.000 0.972 84 R CA -1.061 55.056 56.100 0.027 0.000 0.829 84 R CB 1.112 31.356 30.300 -0.092 0.000 1.583 84 R HN -0.382 7.855 8.270 -0.055 0.000 0.422 85 T N 1.123 115.554 114.554 -0.204 0.000 2.788 85 T HA -0.148 3.916 4.350 -0.476 0.000 0.333 85 T C 0.137 174.556 174.700 -0.469 0.000 1.090 85 T CA 1.867 63.747 62.100 -0.367 0.000 1.094 85 T CB 0.255 69.021 68.868 -0.171 0.000 0.999 85 T HN 0.031 8.213 8.240 -0.097 0.000 0.549 86 F N 1.462 121.294 119.950 -0.198 0.000 2.350 86 F HA 0.303 4.693 4.527 -0.229 0.000 0.365 86 F C -1.209 174.505 175.800 -0.143 0.000 1.122 86 F CA -3.891 53.981 58.000 -0.214 0.000 1.139 86 F CB -0.351 38.495 39.000 -0.257 0.000 1.220 86 F HN 0.222 8.270 8.300 -0.419 0.000 0.499 87 P HA 0.060 4.478 4.420 -0.004 0.000 0.263 87 P C -0.275 177.026 177.300 0.002 0.000 1.601 87 P CA 0.086 63.191 63.100 0.009 0.000 1.161 87 P CB -1.621 30.072 31.700 -0.012 0.000 1.730 88 G N 3.673 112.472 108.800 -0.003 0.000 2.273 88 G HA2 -0.219 3.724 3.960 -0.028 0.000 0.162 88 G HA3 -0.219 3.721 3.960 -0.032 0.000 0.162 88 G C -1.041 173.838 174.900 -0.035 0.000 1.006 88 G CA 0.012 45.097 45.100 -0.025 0.000 0.704 88 G HN 0.069 8.361 8.290 0.002 0.000 0.487 89 I N 1.219 121.781 120.570 -0.014 0.000 2.649 89 I HA 0.264 4.400 4.170 -0.056 0.000 0.275 89 I C -2.581 173.526 176.117 -0.017 0.000 1.153 89 I CA -3.034 58.244 61.300 -0.037 0.000 1.069 89 I CB 0.951 38.893 38.000 -0.097 0.000 1.227 89 I HN -0.474 7.749 8.210 0.023 0.000 0.505 90 P HA 0.237 4.620 4.420 -0.062 0.000 0.276 90 P C -0.647 176.578 177.300 -0.126 0.000 1.235 90 P CA -0.802 62.259 63.100 -0.065 0.000 0.772 90 P CB 1.024 32.692 31.700 -0.054 0.000 0.871 91 K N 3.313 123.564 120.400 -0.247 0.000 1.965 91 K HA -0.186 3.813 4.320 -0.534 0.000 0.220 91 K C 0.101 176.401 176.600 -0.499 0.000 1.046 91 K CA 2.428 58.351 56.287 -0.607 0.000 0.974 91 K CB 0.280 32.199 32.500 -0.967 0.000 0.738 91 K HN 0.116 8.238 8.250 -0.212 0.000 0.444 92 W N -3.537 117.809 121.300 0.078 0.000 2.438 92 W HA 0.025 4.723 4.660 0.063 0.000 0.324 92 W C -0.119 176.436 176.519 0.060 0.000 1.119 92 W CA -1.141 56.252 57.345 0.080 0.000 1.221 92 W CB 1.257 30.786 29.460 0.115 0.000 1.253 92 W HN -0.177 7.798 8.180 -0.342 0.000 0.555 93 R N 0.709 121.393 120.500 0.307 0.000 2.164 93 R HA 0.094 4.455 4.340 0.035 0.000 0.198 93 R C -0.108 176.278 176.300 0.143 0.000 1.028 93 R CA -0.116 56.059 56.100 0.125 0.000 1.083 93 R CB 0.407 30.752 30.300 0.076 0.000 1.026 93 R HN 0.176 8.663 8.270 0.362 0.000 0.514 94 K N -0.471 120.031 120.400 0.170 0.000 2.370 94 K HA -0.149 4.247 4.320 0.125 0.000 0.263 94 K C -0.331 176.411 176.600 0.236 0.000 0.983 94 K CA 0.472 56.848 56.287 0.149 0.000 0.873 94 K CB 0.285 32.838 32.500 0.088 0.000 0.979 94 K HN -0.399 7.961 8.250 0.182 0.000 0.529 95 T N -3.859 110.820 114.554 0.209 0.000 3.044 95 T HA 0.037 4.572 4.350 0.307 0.000 0.260 95 T C -1.442 173.067 174.700 -0.319 0.000 1.019 95 T CA 0.398 62.572 62.100 0.124 0.000 0.921 95 T CB 0.948 69.931 68.868 0.191 0.000 1.053 95 T HN 0.239 8.603 8.240 0.207 0.000 0.533 96 H N 0.541 119.536 119.070 -0.125 0.000 3.036 96 H HA 0.564 4.937 4.556 -0.304 0.000 0.295 96 H C -1.678 173.489 175.328 -0.269 0.000 1.124 96 H CA -1.363 54.555 56.048 -0.216 0.000 1.507 96 H CB 0.961 30.657 29.762 -0.110 0.000 1.591 96 H HN -0.452 7.831 8.280 0.092 0.053 0.510 97 L N 1.350 122.296 121.223 -0.461 0.000 2.448 97 L HA 0.229 4.433 4.340 -0.227 0.000 0.258 97 L C -1.393 175.451 176.870 -0.044 0.000 1.104 97 L CA -0.812 53.827 54.840 -0.335 0.000 0.800 97 L CB 1.894 43.656 42.059 -0.496 0.000 1.241 97 L HN -0.085 7.622 8.230 -0.873 0.000 0.472 98 T N -2.651 111.971 114.554 0.114 0.000 2.868 98 T HA 0.424 5.288 4.350 0.425 -0.260 0.306 98 T C -1.238 173.673 174.700 0.352 0.000 1.224 98 T CA -1.647 60.610 62.100 0.261 0.000 1.012 98 T CB 2.037 70.951 68.868 0.078 0.000 1.221 98 T HN -0.176 8.079 8.240 0.024 0.000 0.499 99 Y N 0.121 120.499 120.300 0.130 0.000 2.638 99 Y HA 0.366 5.108 4.550 0.075 -0.147 0.339 99 Y C -3.284 172.673 175.900 0.094 0.000 1.084 99 Y CA -2.605 55.559 58.100 0.106 0.000 1.068 99 Y CB 2.028 40.568 38.460 0.134 0.000 1.294 99 Y HN 0.285 8.684 8.280 0.199 0.000 0.480 100 R N -0.402 120.118 120.500 0.033 0.000 2.476 100 R HA 0.359 4.770 4.340 -0.144 -0.158 0.305 100 R C -1.452 174.920 176.300 0.120 0.000 0.965 100 R CA -2.083 54.008 56.100 -0.016 0.000 0.867 100 R CB 3.868 34.184 30.300 0.027 0.000 1.176 100 R HN -0.186 8.198 8.270 0.191 0.000 0.447 101 I N 7.270 127.911 120.570 0.119 0.000 2.270 101 I HA -0.134 4.199 4.170 0.271 0.000 0.300 101 I C -0.574 175.683 176.117 0.234 0.000 1.186 101 I CA 0.444 61.872 61.300 0.213 0.000 1.431 101 I CB -1.300 36.811 38.000 0.185 0.000 1.485 101 I HN 0.106 8.329 8.210 0.023 0.000 0.650 102 V N 6.385 126.439 119.914 0.233 0.000 3.596 102 V HA 0.001 4.331 4.120 0.350 0.000 0.289 102 V C -0.777 175.536 176.094 0.366 0.000 1.336 102 V CA -0.575 61.877 62.300 0.254 0.000 1.137 102 V CB -0.154 31.721 31.823 0.087 0.000 0.966 102 V HN 0.993 9.161 8.190 0.184 0.132 0.428 103 N N -0.606 118.360 118.700 0.443 0.000 2.482 103 N HA 0.103 5.512 4.740 0.984 -0.079 0.279 103 N C -1.946 174.071 175.510 0.846 0.000 1.182 103 N CA -0.105 53.374 53.050 0.714 0.000 0.969 103 N CB 2.563 41.381 38.487 0.552 0.000 1.201 103 N HN -0.839 7.682 8.380 0.355 0.071 0.523 104 Y N -0.331 120.463 120.300 0.823 0.000 2.889 104 Y HA -0.059 4.768 4.550 0.462 0.000 0.379 104 Y C -2.944 173.005 175.900 0.081 0.000 1.179 104 Y CA -0.093 58.270 58.100 0.438 0.000 1.178 104 Y CB 2.700 41.271 38.460 0.184 0.000 1.460 104 Y HN 0.280 9.321 8.280 1.268 0.000 0.472 105 T N -0.098 113.440 114.554 -1.693 0.000 2.843 105 T HA 0.390 3.918 4.350 -1.370 0.000 0.337 105 T C -1.736 172.196 174.700 -1.280 0.000 1.754 105 T CA -1.870 59.322 62.100 -1.512 0.000 1.052 105 T CB 1.911 69.913 68.868 -1.445 0.000 1.588 105 T HN 0.057 7.072 8.240 -2.042 0.000 0.493 106 P HA 0.059 4.295 4.420 -0.307 0.000 0.221 106 P C -0.269 176.825 177.300 -0.343 0.000 1.150 106 P CA 1.632 64.483 63.100 -0.414 0.000 0.800 106 P CB 0.283 31.820 31.700 -0.272 0.000 0.787 107 D N -2.083 118.062 120.400 -0.424 0.000 2.348 107 D HA 0.009 4.514 4.640 -0.225 0.000 0.216 107 D C -1.703 174.454 176.300 -0.238 0.000 0.970 107 D CA 1.292 55.109 54.000 -0.305 0.000 0.889 107 D CB 0.915 41.502 40.800 -0.355 0.000 0.912 107 D HN 0.058 8.055 8.370 -0.569 0.031 0.524 108 L N -1.975 119.073 121.223 -0.292 0.000 2.596 108 L HA 0.378 4.678 4.340 -0.066 0.000 0.265 108 L C -2.871 173.954 176.870 -0.076 0.000 0.962 108 L CA -2.546 52.220 54.840 -0.123 0.000 0.891 108 L CB 2.778 44.830 42.059 -0.012 0.000 1.248 108 L HN -0.346 7.451 8.230 -0.467 0.153 0.410 109 P HA 0.224 4.913 4.420 0.448 0.000 0.275 109 P C 0.463 177.943 177.300 0.301 0.000 1.270 109 P CA -0.831 62.410 63.100 0.236 0.000 0.791 109 P CB 1.188 32.964 31.700 0.126 0.000 1.089 110 K N -0.037 120.521 120.400 0.263 0.000 2.013 110 K HA -0.460 3.991 4.320 0.218 0.000 0.225 110 K C 2.035 178.729 176.600 0.157 0.000 1.056 110 K CA 4.888 61.277 56.287 0.170 0.000 0.971 110 K CB -0.636 31.884 32.500 0.033 0.000 0.731 110 K HN 0.287 8.662 8.250 0.208 0.000 0.450 111 D N -3.843 116.620 120.400 0.106 0.000 2.221 111 D HA -0.288 4.407 4.640 0.093 0.000 0.204 111 D C 1.882 178.245 176.300 0.105 0.000 0.982 111 D CA 3.792 57.846 54.000 0.091 0.000 0.857 111 D CB -0.444 40.390 40.800 0.057 0.000 0.934 111 D HN 0.320 8.740 8.370 0.084 0.000 0.475 112 A N -0.114 122.774 122.820 0.113 0.000 1.832 112 A HA -0.129 4.234 4.320 0.072 0.000 0.214 112 A C 1.674 179.351 177.584 0.154 0.000 1.204 112 A CA 2.904 55.000 52.037 0.099 0.000 0.606 112 A CB -0.518 18.519 19.000 0.061 0.000 0.849 112 A HN -0.346 7.732 8.150 0.121 0.144 0.445 113 V N -1.183 118.866 119.914 0.224 0.000 2.332 113 V HA -0.442 3.848 4.120 0.283 0.000 0.248 113 V C 1.389 177.671 176.094 0.312 0.000 1.055 113 V CA 3.222 65.716 62.300 0.323 0.000 1.038 113 V CB -0.633 31.485 31.823 0.492 0.000 0.651 113 V HN -0.262 8.063 8.190 0.225 0.000 0.450 114 D N -1.052 119.509 120.400 0.269 0.000 2.218 114 D HA -0.317 4.500 4.640 0.295 0.000 0.204 114 D C 2.282 178.708 176.300 0.211 0.000 0.976 114 D CA 3.913 58.061 54.000 0.246 0.000 0.853 114 D CB -0.612 40.297 40.800 0.181 0.000 0.939 114 D HN 0.311 8.831 8.370 0.253 0.002 0.481 115 S N 0.676 116.476 115.700 0.165 0.000 2.354 115 S HA -0.384 4.137 4.470 0.086 0.000 0.219 115 S C 1.902 176.587 174.600 0.141 0.000 1.035 115 S CA 3.275 61.544 58.200 0.115 0.000 1.037 115 S CB -0.191 63.059 63.200 0.083 0.000 0.956 115 S HN -0.348 7.865 8.310 0.164 0.196 0.428 116 A N 1.816 124.751 122.820 0.191 0.000 1.997 116 A HA -0.349 4.180 4.320 0.348 0.000 0.221 116 A C 2.302 180.078 177.584 0.319 0.000 1.172 116 A CA 2.976 55.177 52.037 0.274 0.000 0.645 116 A CB -0.654 18.432 19.000 0.143 0.000 0.813 116 A HN -0.312 7.939 8.150 0.169 0.000 0.454 117 V N -3.735 116.367 119.914 0.313 0.000 2.809 117 V HA -0.376 3.903 4.120 0.265 0.000 0.256 117 V C 1.825 177.944 176.094 0.040 0.000 1.080 117 V CA 3.345 65.798 62.300 0.254 0.000 1.102 117 V CB -0.891 31.155 31.823 0.371 0.000 0.705 117 V HN -0.315 7.941 8.190 0.313 0.123 0.475 118 E N 0.827 121.063 120.200 0.061 0.000 2.216 118 E HA -0.213 4.062 4.350 -0.125 0.000 0.192 118 E C 1.932 178.449 176.600 -0.138 0.000 0.973 118 E CA 2.727 59.099 56.400 -0.046 0.000 0.851 118 E CB -0.122 29.596 29.700 0.031 0.000 0.804 118 E HN 0.520 8.760 8.360 0.129 0.198 0.477 119 K N 0.154 120.474 120.400 -0.134 0.000 2.116 119 K HA -0.193 3.854 4.320 -0.454 0.000 0.203 119 K C 1.957 178.368 176.600 -0.315 0.000 1.052 119 K CA 2.953 58.990 56.287 -0.416 0.000 0.952 119 K CB -0.001 32.069 32.500 -0.716 0.000 0.729 119 K HN 0.550 8.588 8.250 -0.019 0.201 0.446 120 A N 0.210 123.061 122.820 0.052 0.000 1.835 120 A HA -0.248 4.283 4.320 0.303 -0.029 0.215 120 A C 1.198 178.790 177.584 0.014 0.000 1.199 120 A CA 3.203 55.364 52.037 0.206 0.000 0.615 120 A CB -0.655 18.563 19.000 0.363 0.000 0.838 120 A HN 0.331 8.436 8.150 0.135 0.126 0.444 121 L N -1.306 119.847 121.223 -0.118 0.000 2.021 121 L HA -0.335 3.797 4.340 -0.345 0.000 0.215 121 L C 1.686 178.292 176.870 -0.439 0.000 1.074 121 L CA 3.288 57.891 54.840 -0.395 0.000 0.760 121 L CB -0.485 41.115 42.059 -0.765 0.000 0.889 121 L HN -0.536 7.528 8.230 -0.098 0.107 0.433 122 K N -2.070 118.120 120.400 -0.351 0.000 2.155 122 K HA -0.262 3.887 4.320 -0.285 0.000 0.203 122 K C 2.269 178.661 176.600 -0.345 0.000 1.052 122 K CA 2.661 58.764 56.287 -0.306 0.000 0.948 122 K CB -0.528 31.824 32.500 -0.247 0.000 0.728 122 K HN -0.308 7.640 8.250 -0.306 0.118 0.448 123 V N 0.633 120.272 119.914 -0.459 0.000 2.324 123 V HA -0.363 3.625 4.120 -0.520 -0.179 0.250 123 V C 2.538 178.213 176.094 -0.699 0.000 1.060 123 V CA 4.345 66.248 62.300 -0.663 0.000 1.042 123 V CB -0.333 30.977 31.823 -0.855 0.000 0.650 123 V HN 0.251 7.966 8.190 -0.418 0.225 0.450 124 W N -3.532 117.681 121.300 -0.145 0.000 2.812 124 W HA -0.090 4.548 4.660 -0.037 0.000 0.263 124 W C 1.829 178.267 176.519 -0.135 0.000 1.284 124 W CA 1.416 58.696 57.345 -0.108 0.000 1.430 124 W CB -0.142 29.265 29.460 -0.089 0.000 1.088 124 W HN -0.285 7.593 8.180 -0.503 -0.001 0.623 125 E N 0.723 120.826 120.200 -0.161 0.000 2.208 125 E HA -0.308 4.193 4.350 0.252 0.000 0.193 125 E C 1.331 177.947 176.600 0.025 0.000 0.988 125 E CA 3.121 59.480 56.400 -0.069 0.000 0.828 125 E CB -0.119 29.436 29.700 -0.241 0.000 0.763 125 E HN 0.054 8.040 8.360 -0.289 0.200 0.478 126 E N -3.045 117.120 120.200 -0.059 0.000 2.102 126 E HA -0.125 4.209 4.350 -0.027 0.000 0.190 126 E C 1.657 178.246 176.600 -0.019 0.000 0.971 126 E CA 1.873 58.243 56.400 -0.051 0.000 0.821 126 E CB 0.560 30.195 29.700 -0.109 0.000 0.777 126 E HN 0.033 8.191 8.360 -0.132 0.123 0.460 127 V N -4.745 115.157 119.914 -0.020 0.000 2.568 127 V HA -0.180 3.942 4.120 0.004 0.000 0.253 127 V C 0.309 176.463 176.094 0.100 0.000 1.072 127 V CA 1.992 64.314 62.300 0.036 0.000 1.084 127 V CB -0.349 31.518 31.823 0.073 0.000 0.676 127 V HN -0.599 7.547 8.190 -0.073 0.000 0.469 128 T N -1.831 112.799 114.554 0.127 0.000 2.940 128 T HA 0.350 4.787 4.350 0.146 0.000 0.288 128 T C -1.519 173.197 174.700 0.026 0.000 1.045 128 T CA -3.375 58.805 62.100 0.134 0.000 1.018 128 T CB 2.153 71.156 68.868 0.225 0.000 1.151 128 T HN -0.681 7.609 8.240 0.128 0.026 0.529 129 P HA 0.138 4.518 4.420 -0.066 0.000 0.240 129 P C -0.244 176.816 177.300 -0.400 0.000 1.190 129 P CA -0.249 62.767 63.100 -0.139 0.000 0.781 129 P CB 0.439 32.118 31.700 -0.035 0.000 0.931 130 L N 1.006 121.780 121.223 -0.748 0.000 2.503 130 L HA -0.182 3.387 4.340 -1.286 0.000 0.287 130 L C -0.345 176.269 176.870 -0.426 0.000 1.252 130 L CA 1.116 55.401 54.840 -0.924 0.000 0.835 130 L CB 0.605 42.223 42.059 -0.735 0.000 1.099 130 L HN -0.004 7.769 8.230 -0.667 0.056 0.516 131 T N -1.650 112.526 114.554 -0.629 0.000 2.937 131 T HA 0.384 4.787 4.350 -0.066 -0.092 0.283 131 T C -0.944 173.425 174.700 -0.552 0.000 1.012 131 T CA -1.458 60.417 62.100 -0.376 0.000 0.997 131 T CB 3.094 71.657 68.868 -0.509 0.000 1.136 131 T HN -0.070 7.679 8.240 -0.817 0.000 0.551 132 F N -1.052 118.898 119.950 0.000 0.000 2.641 132 F HA 0.685 5.429 4.527 0.100 -0.158 0.308 132 F C -1.233 174.674 175.800 0.179 0.000 1.105 132 F CA -0.765 57.293 58.000 0.097 0.000 0.964 132 F CB 4.646 43.690 39.000 0.073 0.000 1.294 132 F HN -0.393 8.085 8.300 0.196 -0.061 0.442 133 S N 0.366 116.300 115.700 0.390 0.000 2.841 133 S HA 0.615 5.243 4.470 0.264 0.000 0.318 133 S C -2.173 172.570 174.600 0.240 0.000 1.127 133 S CA -1.749 56.614 58.200 0.273 0.000 0.883 133 S CB 1.854 65.136 63.200 0.137 0.000 1.271 133 S HN 0.788 9.232 8.310 0.392 0.102 0.567 134 R N -2.282 118.206 120.500 -0.019 0.000 2.764 134 R HA 1.008 5.079 4.340 -0.763 -0.189 0.270 134 R C -1.202 174.963 176.300 -0.224 0.000 1.014 134 R CA -1.112 54.729 56.100 -0.431 0.000 0.904 134 R CB 2.837 32.800 30.300 -0.562 0.000 1.236 134 R HN 0.176 8.459 8.270 0.021 0.000 0.466 135 L N -7.120 113.958 121.223 -0.241 0.000 2.852 135 L HA 0.512 4.832 4.340 -0.034 0.000 0.268 135 L C -2.608 174.289 176.870 0.044 0.000 1.033 135 L CA -0.293 54.506 54.840 -0.069 0.000 1.029 135 L CB 2.380 44.404 42.059 -0.058 0.000 1.598 135 L HN 0.078 8.072 8.230 -0.394 0.000 0.358 136 Y N -0.726 119.522 120.300 -0.087 0.000 3.070 136 Y HA 0.217 4.730 4.550 -0.062 0.000 0.254 136 Y C -2.175 173.697 175.900 -0.047 0.000 1.070 136 Y CA -0.235 57.829 58.100 -0.060 0.000 1.229 136 Y CB 0.807 39.242 38.460 -0.041 0.000 1.264 136 Y HN 0.096 8.411 8.280 0.058 0.000 0.639 137 E N -0.891 119.198 120.200 -0.185 0.000 2.459 137 E HA 0.075 4.208 4.350 -0.362 0.000 0.275 137 E C -0.778 175.729 176.600 -0.155 0.000 0.987 137 E CA -0.597 55.664 56.400 -0.231 0.000 0.828 137 E CB 2.623 32.237 29.700 -0.144 0.000 1.428 137 E HN -0.693 7.615 8.360 -0.086 0.000 0.457 138 G N -0.154 108.564 108.800 -0.136 0.000 2.805 138 G HA2 -0.360 3.543 3.960 -0.097 0.000 0.360 138 G HA3 -0.360 3.549 3.960 -0.085 0.000 0.360 138 G C -1.401 173.437 174.900 -0.103 0.000 1.164 138 G CA 1.503 46.542 45.100 -0.102 0.000 0.954 138 G HN 0.300 8.504 8.290 -0.144 0.000 0.597 139 E N -1.745 118.403 120.200 -0.088 0.000 3.287 139 E HA 0.104 4.405 4.350 -0.081 0.000 0.355 139 E C -2.302 174.257 176.600 -0.069 0.000 1.027 139 E CA -0.895 55.456 56.400 -0.081 0.000 0.840 139 E CB 1.290 30.939 29.700 -0.085 0.000 1.273 139 E HN -0.619 7.693 8.360 -0.080 0.000 0.458 140 A N 3.663 126.451 122.820 -0.054 0.000 2.645 140 A HA -0.009 4.281 4.320 -0.049 0.000 0.245 140 A C -0.772 176.776 177.584 -0.059 0.000 1.758 140 A CA -0.110 51.903 52.037 -0.040 0.000 0.850 140 A CB 0.753 19.747 19.000 -0.010 0.000 1.656 140 A HN 0.129 8.252 8.150 -0.045 0.000 0.641 141 D N -1.420 118.952 120.400 -0.047 0.000 2.216 141 D HA -0.023 4.456 4.640 -0.269 0.000 0.208 141 D C -0.496 175.745 176.300 -0.099 0.000 0.960 141 D CA 2.043 55.930 54.000 -0.187 0.000 0.861 141 D CB 2.118 42.751 40.800 -0.278 0.000 0.985 141 D HN 0.414 8.622 8.370 0.029 0.180 0.493 142 I N -0.587 120.032 120.570 0.082 0.000 2.621 142 I HA 0.200 4.601 4.170 0.162 -0.134 0.276 142 I C -1.415 174.798 176.117 0.160 0.000 1.118 142 I CA -1.510 59.890 61.300 0.166 0.000 1.159 142 I CB 0.156 38.303 38.000 0.244 0.000 1.357 142 I HN -0.314 7.986 8.210 0.149 0.000 0.513 143 M N 6.982 126.635 119.600 0.088 0.000 2.628 143 M HA -0.099 4.421 4.480 0.066 0.000 0.326 143 M C -1.272 175.068 176.300 0.065 0.000 1.613 143 M CA 0.257 55.592 55.300 0.058 0.000 1.387 143 M CB -0.268 32.326 32.600 -0.010 0.000 1.761 143 M HN -0.410 8.039 8.290 0.059 -0.123 0.459 144 I N 8.147 128.770 120.570 0.088 0.000 2.363 144 I HA 0.159 4.383 4.170 -0.082 -0.103 0.292 144 I C -0.885 175.219 176.117 -0.020 0.000 1.075 144 I CA -1.595 59.700 61.300 -0.008 0.000 1.333 144 I CB -1.947 36.079 38.000 0.043 0.000 1.415 144 I HN 0.417 8.626 8.210 0.148 0.090 0.502 145 S N 6.976 122.620 115.700 -0.093 0.000 2.570 145 S HA 0.615 5.158 4.470 -0.020 -0.085 0.286 145 S C -1.337 173.151 174.600 -0.186 0.000 1.099 145 S CA -1.645 56.471 58.200 -0.141 0.000 0.913 145 S CB 3.473 66.515 63.200 -0.262 0.000 1.085 145 S HN 0.726 8.867 8.310 -0.097 0.111 0.480 146 F N -0.634 119.301 119.950 -0.024 0.000 2.385 146 F HA 0.807 5.665 4.527 0.136 -0.249 0.336 146 F C -1.371 174.221 175.800 -0.347 0.000 1.100 146 F CA -2.094 55.934 58.000 0.047 0.000 1.116 146 F CB 1.228 40.517 39.000 0.481 0.000 1.166 146 F HN -0.209 7.921 8.300 -0.285 0.000 0.511 147 A N 0.963 123.564 122.820 -0.365 0.000 2.511 147 A HA 0.140 4.356 4.320 -0.175 0.000 0.293 147 A C -2.859 174.706 177.584 -0.032 0.000 1.098 147 A CA -0.168 51.529 52.037 -0.568 0.000 0.643 147 A CB 2.036 20.136 19.000 -1.500 0.000 1.302 147 A HN 0.552 8.835 8.150 0.221 0.000 0.446 148 V N -1.027 118.900 119.914 0.022 0.000 3.087 148 V HA 0.203 4.634 4.120 0.519 0.000 0.312 148 V C -1.339 175.032 176.094 0.461 0.000 1.482 148 V CA -2.330 60.178 62.300 0.347 0.000 1.015 148 V CB 4.111 36.105 31.823 0.286 0.000 1.055 148 V HN 0.102 8.206 8.190 -0.144 0.000 0.478 149 R N 1.105 121.875 120.500 0.450 0.000 2.842 149 R HA -0.197 4.526 4.340 0.527 -0.067 0.260 149 R C -0.834 175.640 176.300 0.290 0.000 1.495 149 R CA 1.625 57.965 56.100 0.399 0.000 1.024 149 R CB -2.069 28.390 30.300 0.265 0.000 1.147 149 R HN 0.373 8.886 8.270 0.404 0.000 0.553 150 E N 1.593 121.988 120.200 0.326 0.000 3.053 150 E HA 0.069 4.518 4.350 0.165 0.000 0.107 150 E C -1.266 175.410 176.600 0.127 0.000 0.870 150 E CA 0.597 57.096 56.400 0.165 0.000 1.570 150 E CB 0.661 30.410 29.700 0.081 0.000 0.948 150 E HN 0.293 8.990 8.360 0.578 0.010 0.337 151 H N -1.139 118.067 119.070 0.228 0.000 2.363 151 H HA -0.042 4.676 4.556 0.269 0.000 0.301 151 H C 0.532 175.980 175.328 0.200 0.000 1.074 151 H CA 1.808 58.030 56.048 0.290 0.000 1.354 151 H CB 0.495 30.561 29.762 0.507 0.000 1.397 151 H HN 0.238 8.940 8.280 0.704 0.000 0.516 152 G N -1.555 107.399 108.800 0.256 0.000 4.278 152 G HA2 -0.189 3.846 3.960 0.125 0.000 0.160 152 G HA3 -0.189 3.883 3.960 0.188 0.000 0.160 152 G C -0.408 174.536 174.900 0.072 0.000 2.002 152 G CA -0.147 45.047 45.100 0.157 0.000 1.013 152 G HN 0.171 8.617 8.290 0.260 0.000 0.315 153 D N -0.407 120.008 120.400 0.025 0.000 2.755 153 D HA 0.283 4.796 4.640 -0.211 0.000 0.293 153 D C -1.619 174.268 176.300 -0.688 0.000 1.642 153 D CA 0.425 54.284 54.000 -0.235 0.000 0.825 153 D CB 0.329 41.011 40.800 -0.196 0.000 1.303 153 D HN 0.175 8.602 8.370 0.096 0.000 0.434 154 F N -2.142 117.577 119.950 -0.385 0.000 3.129 154 F HA 0.180 4.497 4.527 -0.349 0.000 0.326 154 F C -1.592 173.717 175.800 -0.818 0.000 1.202 154 F CA -1.170 56.439 58.000 -0.651 0.000 0.929 154 F CB 2.478 40.904 39.000 -0.956 0.000 1.473 154 F HN -1.014 7.158 8.300 -0.213 0.000 0.512 155 Y N -3.631 116.746 120.300 0.130 0.000 3.072 155 Y HA -0.271 4.134 4.550 -0.242 0.000 0.230 155 Y C -2.408 173.340 175.900 -0.253 0.000 0.939 155 Y CA -2.149 55.837 58.100 -0.190 0.000 0.748 155 Y CB -2.161 36.079 38.460 -0.367 0.000 0.980 155 Y HN -0.085 8.106 8.280 -0.148 0.000 0.423 156 P HA -0.009 4.633 4.420 0.369 0.000 0.287 156 P C -1.591 175.903 177.300 0.323 0.000 1.281 156 P CA -0.932 62.284 63.100 0.193 0.000 0.781 156 P CB 0.662 32.438 31.700 0.127 0.000 0.903 157 F N 2.987 123.182 119.950 0.410 0.000 2.173 157 F HA -0.225 4.465 4.527 0.272 0.000 0.280 157 F C -0.466 175.477 175.800 0.238 0.000 1.175 157 F CA 1.009 59.219 58.000 0.350 0.000 1.166 157 F CB 1.522 40.813 39.000 0.485 0.000 1.589 157 F HN -0.492 8.468 8.300 1.100 0.000 0.513 158 D N -4.785 115.859 120.400 0.407 0.000 4.135 158 D HA 0.012 4.807 4.640 0.260 0.000 0.227 158 D C -0.061 176.374 176.300 0.226 0.000 1.501 158 D CA -0.467 53.685 54.000 0.252 0.000 1.027 158 D CB -1.241 39.643 40.800 0.141 0.000 1.320 158 D HN -0.363 8.513 8.370 0.517 -0.195 0.855 159 G N -0.802 108.179 108.800 0.302 0.000 2.816 159 G HA2 -0.333 4.136 3.960 0.292 0.000 0.229 159 G HA3 -0.333 3.755 3.960 0.234 0.013 0.229 159 G C -0.485 174.506 174.900 0.152 0.000 1.158 159 G CA 2.065 47.313 45.100 0.247 0.000 0.761 159 G HN -0.270 8.273 8.290 0.388 -0.020 0.636 160 P HA 0.071 4.533 4.420 0.071 0.000 0.232 160 P C -1.465 175.878 177.300 0.071 0.000 1.738 160 P CA -0.525 62.625 63.100 0.083 0.000 0.948 160 P CB -2.062 29.681 31.700 0.072 0.000 1.943 161 G N 0.206 109.048 108.800 0.070 0.000 2.579 161 G HA2 -0.018 3.963 3.960 0.035 0.000 0.292 161 G HA3 -0.018 4.071 3.960 0.043 -0.103 0.292 161 G C -1.686 173.229 174.900 0.026 0.000 1.484 161 G CA -0.261 44.865 45.100 0.043 0.000 0.813 161 G HN -0.442 7.807 8.290 0.083 0.090 0.515 162 N N -1.682 117.021 118.700 0.006 0.000 2.192 162 N HA -0.248 4.495 4.740 0.004 0.000 0.188 162 N C 0.144 175.625 175.510 -0.048 0.000 1.013 162 N CA 1.792 54.835 53.050 -0.013 0.000 0.863 162 N CB 0.079 38.551 38.487 -0.025 0.000 0.990 162 N HN 0.162 8.545 8.380 0.005 0.000 0.430 163 V N 0.809 120.681 119.914 -0.070 0.000 2.427 163 V HA -0.260 3.758 4.120 -0.171 0.000 0.240 163 V C -0.140 175.837 176.094 -0.195 0.000 1.128 163 V CA 0.053 62.253 62.300 -0.166 0.000 1.262 163 V CB -2.320 29.380 31.823 -0.205 0.000 1.277 163 V HN -0.325 7.817 8.190 -0.046 0.020 0.482 164 L N 5.155 126.286 121.223 -0.153 0.000 2.044 164 L HA -0.097 4.278 4.340 0.058 0.000 0.205 164 L C -0.471 176.378 176.870 -0.036 0.000 1.075 164 L CA 1.999 56.808 54.840 -0.052 0.000 0.747 164 L CB 0.990 43.003 42.059 -0.076 0.000 0.903 164 L HN 0.134 8.258 8.230 -0.157 0.012 0.435 165 A N -9.480 113.200 122.820 -0.233 0.000 2.511 165 A HA 0.192 4.487 4.320 -0.106 -0.039 0.293 165 A C -2.333 175.068 177.584 -0.305 0.000 1.098 165 A CA -0.677 51.248 52.037 -0.187 0.000 0.643 165 A CB 2.367 21.426 19.000 0.098 0.000 1.302 165 A HN -0.634 7.347 8.150 -0.282 0.000 0.446 166 H N -6.092 112.932 119.070 -0.077 0.000 2.901 166 H HA 0.222 4.583 4.556 -0.324 0.000 0.267 166 H C -3.129 172.154 175.328 -0.075 0.000 1.434 166 H CA -0.230 55.709 56.048 -0.182 0.000 1.215 166 H CB 0.845 30.471 29.762 -0.226 0.000 1.825 166 H HN 0.062 8.181 8.280 -0.269 0.000 0.470 167 A N -2.561 120.379 122.820 0.198 0.000 2.539 167 A HA 0.860 5.420 4.320 0.249 -0.090 0.272 167 A C -1.877 175.727 177.584 0.033 0.000 1.286 167 A CA -1.585 50.570 52.037 0.197 0.000 0.792 167 A CB 3.246 22.381 19.000 0.225 0.000 1.355 167 A HN -0.145 8.151 8.150 0.243 0.000 0.472 168 Y N -2.785 117.610 120.300 0.160 0.000 2.782 168 Y HA 0.186 4.780 4.550 0.073 0.000 0.329 168 Y C -1.411 174.583 175.900 0.156 0.000 1.192 168 Y CA -1.429 56.740 58.100 0.115 0.000 1.216 168 Y CB 2.561 41.064 38.460 0.072 0.000 1.447 168 Y HN -0.247 8.355 8.280 0.531 -0.004 0.616 169 A N -3.248 119.773 122.820 0.336 0.000 2.464 169 A HA 0.385 4.746 4.320 0.068 0.000 0.268 169 A C -2.378 175.387 177.584 0.301 0.000 1.244 169 A CA -2.747 49.398 52.037 0.180 0.000 0.871 169 A CB 0.600 19.666 19.000 0.109 0.000 1.400 169 A HN 0.044 8.431 8.150 0.396 0.000 0.455 170 P HA 0.069 5.207 4.420 0.958 -0.143 0.275 170 P C -1.364 176.089 177.300 0.256 0.000 1.276 170 P CA 0.011 63.330 63.100 0.365 0.000 0.782 170 P CB -0.932 30.838 31.700 0.117 0.000 0.851 171 G N 5.086 114.043 108.800 0.262 0.000 2.827 171 G HA2 0.140 4.166 3.960 0.111 0.000 0.202 171 G HA3 0.140 4.170 3.960 0.117 0.000 0.202 171 G C -2.257 172.698 174.900 0.092 0.000 1.185 171 G CA 0.094 45.276 45.100 0.136 0.000 0.920 171 G HN 0.014 8.645 8.290 0.338 -0.139 0.550 172 P HA 0.046 4.475 4.420 0.015 0.000 0.196 172 P C 1.050 178.342 177.300 -0.012 0.000 1.130 172 P CA 0.765 63.873 63.100 0.012 0.000 0.860 172 P CB 0.571 32.270 31.700 -0.002 0.000 0.705 173 G N -2.228 106.545 108.800 -0.044 0.000 2.595 173 G HA2 0.074 3.990 3.960 -0.073 0.000 0.213 173 G HA3 0.074 3.976 3.960 -0.097 0.000 0.213 173 G C 0.497 175.325 174.900 -0.119 0.000 1.141 173 G CA 0.365 45.416 45.100 -0.083 0.000 0.806 173 G HN -0.058 8.204 8.290 -0.046 0.000 0.530 174 I N -5.716 114.771 120.570 -0.138 0.000 3.456 174 I HA 0.043 4.146 4.170 -0.406 -0.177 0.291 174 I C -0.431 175.753 176.117 0.112 0.000 1.307 174 I CA -0.477 60.702 61.300 -0.201 0.000 1.333 174 I CB -0.902 36.943 38.000 -0.258 0.000 1.032 174 I HN -0.468 7.682 8.210 -0.100 0.000 0.506 175 N N 4.263 123.031 118.700 0.114 0.000 2.991 175 N HA -0.223 5.182 4.740 0.622 -0.292 0.324 175 N C -1.104 174.482 175.510 0.127 0.000 1.208 175 N CA 0.717 53.934 53.050 0.277 0.000 1.190 175 N CB -1.697 36.809 38.487 0.033 0.000 1.443 175 N HN -0.582 7.686 8.380 0.022 0.125 0.542 176 G N 0.756 109.853 108.800 0.494 0.000 3.238 176 G HA2 -0.370 4.051 3.960 0.767 0.000 0.684 176 G HA3 -0.370 3.866 3.960 0.196 -0.158 0.684 176 G C -2.472 172.575 174.900 0.244 0.000 1.156 176 G CA -0.314 45.070 45.100 0.474 0.000 1.048 176 G HN 0.407 8.956 8.290 0.548 0.069 0.462 177 D N 1.902 122.502 120.400 0.333 0.000 2.688 177 D HA 0.222 5.056 4.640 0.162 -0.097 0.210 177 D C -2.515 173.993 176.300 0.346 0.000 1.333 177 D CA 0.472 54.629 54.000 0.262 0.000 0.920 177 D CB 3.879 44.749 40.800 0.118 0.000 1.554 177 D HN -0.644 7.985 8.370 0.431 0.000 0.579 178 A N 2.144 125.070 122.820 0.176 0.000 2.313 178 A HA 0.608 5.168 4.320 0.142 -0.155 0.323 178 A C -2.162 175.412 177.584 -0.017 0.000 1.133 178 A CA -1.929 50.146 52.037 0.063 0.000 0.847 178 A CB 3.714 22.668 19.000 -0.077 0.000 1.308 178 A HN -0.346 7.775 8.150 0.123 0.103 0.475 179 H N -0.765 118.136 119.070 -0.281 0.000 3.087 179 H HA 0.556 4.985 4.556 -0.493 -0.169 0.348 179 H C -2.337 172.721 175.328 -0.449 0.000 1.092 179 H CA -1.652 54.159 56.048 -0.394 0.000 1.285 179 H CB 3.577 33.225 29.762 -0.190 0.000 1.875 179 H HN 0.269 8.436 8.280 -0.188 0.000 0.512 180 F N 3.758 123.656 119.950 -0.086 0.000 2.394 180 F HA 0.167 4.473 4.527 -0.368 0.000 0.340 180 F C -0.188 175.442 175.800 -0.282 0.000 1.105 180 F CA -1.839 55.878 58.000 -0.471 0.000 1.124 180 F CB 0.913 39.110 39.000 -1.339 0.000 1.145 180 F HN 0.317 8.810 8.300 -0.150 -0.282 0.505 181 D N 1.735 122.305 120.400 0.283 0.000 2.443 181 D HA -0.247 4.553 4.640 0.046 -0.132 0.234 181 D C 0.006 176.754 176.300 0.746 0.000 1.172 181 D CA 2.450 56.746 54.000 0.494 0.000 0.878 181 D CB 1.722 42.935 40.800 0.689 0.000 1.204 181 D HN -0.150 8.476 8.370 0.427 0.000 0.453 182 D N 2.164 122.911 120.400 0.579 0.000 2.571 182 D HA 0.259 5.300 4.640 0.670 0.000 0.239 182 D C -0.646 175.811 176.300 0.261 0.000 1.267 182 D CA -0.213 54.099 54.000 0.520 0.000 0.823 182 D CB 1.244 42.348 40.800 0.506 0.000 1.056 182 D HN -0.029 8.614 8.370 0.454 0.000 0.494 183 D N -0.689 119.875 120.400 0.273 0.000 2.423 183 D HA 0.124 4.832 4.640 0.114 0.000 0.208 183 D C -0.209 176.149 176.300 0.097 0.000 1.068 183 D CA 0.996 55.093 54.000 0.162 0.000 0.860 183 D CB 1.298 42.213 40.800 0.192 0.000 0.992 183 D HN 0.229 9.129 8.370 0.376 -0.305 0.504 184 E N -2.168 118.105 120.200 0.121 0.000 3.018 184 E HA 0.249 4.605 4.350 0.010 0.000 0.293 184 E C -0.509 176.024 176.600 -0.112 0.000 0.886 184 E CA -0.231 56.192 56.400 0.039 0.000 1.132 184 E CB 0.939 30.703 29.700 0.106 0.000 2.610 184 E HN -0.264 8.236 8.360 0.233 0.000 0.572 185 Q N -3.488 116.227 119.800 -0.142 0.000 3.011 185 Q HA 0.192 3.918 4.340 -1.023 0.000 0.299 185 Q C -2.576 173.227 176.000 -0.328 0.000 0.891 185 Q CA 0.087 55.571 55.803 -0.532 0.000 0.792 185 Q CB 3.878 32.413 28.738 -0.337 0.000 1.601 185 Q HN -0.088 8.227 8.270 0.075 0.000 0.462 186 W N -1.303 119.913 121.300 -0.140 0.000 2.957 186 W HA 0.366 4.926 4.660 -0.167 0.000 0.336 186 W C -0.958 175.458 176.519 -0.172 0.000 1.087 186 W CA -1.254 55.979 57.345 -0.187 0.000 1.235 186 W CB 2.602 31.876 29.460 -0.310 0.000 1.399 186 W HN 0.515 8.210 8.180 -0.808 0.000 0.480 187 T N -4.948 109.627 114.554 0.035 0.000 2.900 187 T HA 0.430 4.765 4.350 -0.026 0.000 0.295 187 T C 0.589 175.282 174.700 -0.012 0.000 1.044 187 T CA -2.330 59.759 62.100 -0.018 0.000 0.995 187 T CB 3.815 72.654 68.868 -0.049 0.000 1.072 187 T HN -0.252 8.092 8.240 0.042 -0.078 0.473 188 K N 1.234 121.626 120.400 -0.014 0.000 2.103 188 K HA -0.147 4.197 4.320 0.041 0.000 0.204 188 K C -0.357 176.219 176.600 -0.041 0.000 1.052 188 K CA 2.562 58.847 56.287 -0.003 0.000 0.945 188 K CB 0.178 32.666 32.500 -0.020 0.000 0.722 188 K HN 0.346 8.582 8.250 -0.023 0.000 0.443 189 D N -1.782 118.581 120.400 -0.061 0.000 2.301 189 D HA -0.045 4.628 4.640 -0.082 -0.082 0.287 189 D C -0.846 175.424 176.300 -0.050 0.000 1.179 189 D CA 0.583 54.542 54.000 -0.068 0.000 1.060 189 D CB 1.346 42.104 40.800 -0.070 0.000 1.135 189 D HN -0.527 7.799 8.370 -0.057 0.009 0.531 190 T N -0.499 114.028 114.554 -0.046 0.000 3.256 190 T HA 0.268 4.593 4.350 -0.042 0.000 0.249 190 T C -0.719 173.955 174.700 -0.043 0.000 0.975 190 T CA 0.146 62.221 62.100 -0.041 0.000 1.011 190 T CB -0.562 68.287 68.868 -0.031 0.000 1.127 190 T HN 0.098 8.310 8.240 -0.047 0.000 0.543 191 T N 1.606 116.131 114.554 -0.049 0.000 3.039 191 T HA 0.083 4.403 4.350 -0.050 0.000 0.250 191 T C 0.366 175.029 174.700 -0.060 0.000 1.052 191 T CA 1.154 63.222 62.100 -0.054 0.000 1.125 191 T CB 0.784 69.615 68.868 -0.061 0.000 0.908 191 T HN -0.334 7.805 8.240 -0.050 0.071 0.473 192 G N 0.556 109.321 108.800 -0.059 0.000 2.463 192 G HA2 0.145 4.062 3.960 -0.072 0.000 0.211 192 G HA3 0.145 4.183 3.960 -0.086 -0.130 0.211 192 G C -0.883 173.999 174.900 -0.029 0.000 1.881 192 G CA 0.672 45.734 45.100 -0.064 0.000 0.722 192 G HN 0.263 8.522 8.290 -0.052 0.000 0.709 193 T N 1.434 115.990 114.554 0.004 0.000 2.995 193 T HA 0.075 4.427 4.350 0.003 0.000 0.170 193 T C -1.495 173.198 174.700 -0.013 0.000 0.844 193 T CA 0.266 62.381 62.100 0.024 0.000 1.137 193 T CB 1.610 70.549 68.868 0.119 0.000 2.193 193 T HN -0.549 7.797 8.240 0.010 -0.100 0.384 194 N N -0.389 118.299 118.700 -0.020 0.000 2.805 194 N HA 0.283 5.044 4.740 -0.076 -0.067 0.216 194 N C -0.730 174.704 175.510 -0.127 0.000 1.447 194 N CA -0.167 52.833 53.050 -0.084 0.000 0.785 194 N CB 0.457 38.876 38.487 -0.113 0.000 1.458 194 N HN -0.122 8.269 8.380 0.017 0.000 0.547 195 L N 3.376 124.550 121.223 -0.082 0.000 2.158 195 L HA -0.474 3.691 4.340 -0.290 0.000 0.249 195 L C 0.266 177.050 176.870 -0.143 0.000 1.097 195 L CA 3.560 58.312 54.840 -0.147 0.000 0.844 195 L CB -0.030 42.026 42.059 -0.006 0.000 0.940 195 L HN 0.529 8.707 8.230 -0.027 0.036 0.436 196 F N -3.441 116.475 119.950 -0.057 0.000 2.373 196 F HA -0.269 4.300 4.527 0.071 0.000 0.300 196 F C 1.191 177.037 175.800 0.076 0.000 1.080 196 F CA 1.658 59.679 58.000 0.036 0.000 1.417 196 F CB -0.769 38.266 39.000 0.058 0.000 1.070 196 F HN -0.394 8.026 8.300 0.200 0.000 0.546 197 L N 0.399 121.261 121.223 -0.602 0.000 1.961 197 L HA -0.351 3.398 4.340 -0.986 0.000 0.210 197 L C 1.598 178.391 176.870 -0.129 0.000 1.072 197 L CA 3.268 57.763 54.840 -0.575 0.000 0.749 197 L CB -0.014 41.837 42.059 -0.345 0.000 0.889 197 L HN -0.752 7.119 8.230 -0.377 0.132 0.432 198 V N -3.749 116.137 119.914 -0.047 0.000 3.305 198 V HA -0.280 3.933 4.120 0.155 0.000 0.269 198 V C 2.012 178.381 176.094 0.458 0.000 1.157 198 V CA 1.481 63.863 62.300 0.137 0.000 1.157 198 V CB -2.037 29.806 31.823 0.033 0.000 0.772 198 V HN 0.229 8.338 8.190 -0.134 0.000 0.498 199 A N 2.176 125.252 122.820 0.427 0.000 1.843 199 A HA -0.175 4.771 4.320 1.045 0.000 0.213 199 A C 1.050 178.955 177.584 0.536 0.000 1.202 199 A CA 2.871 55.327 52.037 0.698 0.000 0.607 199 A CB -0.781 18.590 19.000 0.618 0.000 0.847 199 A HN -0.245 7.878 8.150 0.174 0.132 0.445 200 A N -2.714 120.442 122.820 0.561 0.000 2.172 200 A HA -0.370 4.521 4.320 0.952 0.000 0.216 200 A C 0.852 178.899 177.584 0.771 0.000 1.154 200 A CA 2.396 54.886 52.037 0.756 0.000 0.701 200 A CB -0.743 18.526 19.000 0.449 0.000 0.789 200 A HN 0.323 8.691 8.150 0.537 0.104 0.465 201 H N -0.865 118.428 119.070 0.372 0.000 2.326 201 H HA -0.329 4.387 4.556 0.266 0.000 0.301 201 H C 2.705 178.056 175.328 0.039 0.000 1.081 201 H CA 4.367 60.530 56.048 0.192 0.000 1.334 201 H CB 0.394 30.192 29.762 0.060 0.000 1.385 201 H HN -0.274 8.209 8.280 0.467 0.077 0.504 202 E N -0.624 119.691 120.200 0.192 0.000 2.060 202 E HA -0.223 4.095 4.350 -0.053 0.000 0.189 202 E C 2.237 178.886 176.600 0.081 0.000 0.974 202 E CA 3.019 59.447 56.400 0.047 0.000 0.808 202 E CB 0.223 29.900 29.700 -0.038 0.000 0.768 202 E HN -0.427 8.049 8.360 0.311 0.071 0.453 203 I N -1.497 119.164 120.570 0.151 0.000 2.361 203 I HA -0.412 3.830 4.170 0.120 0.000 0.251 203 I C 2.180 178.171 176.117 -0.210 0.000 1.133 203 I CA 3.636 65.011 61.300 0.125 0.000 1.413 203 I CB -0.611 37.546 38.000 0.260 0.000 1.073 203 I HN 0.703 8.953 8.210 0.240 0.104 0.424 204 G N -1.921 106.628 108.800 -0.420 0.000 2.430 204 G HA2 -0.221 1.718 3.960 -3.369 0.000 0.216 204 G HA3 -0.221 2.739 3.960 -1.885 -0.131 0.216 204 G C 0.885 175.244 174.900 -0.903 0.000 1.146 204 G CA 1.899 45.875 45.100 -1.873 0.000 0.793 204 G HN -0.019 8.242 8.290 0.166 0.129 0.537 205 H N 3.355 122.094 119.070 -0.552 0.000 2.321 205 H HA -0.089 4.279 4.556 -0.548 -0.141 0.300 205 H C 1.930 177.096 175.328 -0.270 0.000 1.087 205 H CA 3.363 59.164 56.048 -0.413 0.000 1.319 205 H CB 0.567 30.193 29.762 -0.227 0.000 1.379 205 H HN -0.295 7.661 8.280 -0.140 0.240 0.501 206 S N -3.446 112.256 115.700 0.004 0.000 2.371 206 S HA -0.106 4.353 4.470 -0.020 0.000 0.219 206 S C 0.339 174.958 174.600 0.031 0.000 1.040 206 S CA 2.882 61.147 58.200 0.108 0.000 0.958 206 S CB 1.264 64.740 63.200 0.459 0.000 0.860 206 S HN -0.390 7.959 8.310 0.065 0.000 0.487 207 L N -5.242 116.138 121.223 0.261 0.000 2.791 207 L HA 0.373 4.817 4.340 0.173 0.000 0.239 207 L C -0.317 176.540 176.870 -0.020 0.000 1.203 207 L CA -1.035 54.040 54.840 0.391 0.000 1.002 207 L CB -0.575 41.979 42.059 0.825 0.000 1.295 207 L HN -0.597 7.746 8.230 0.189 0.000 0.504 208 G N -2.014 106.530 108.800 -0.426 0.000 2.451 208 G HA2 0.440 4.206 3.960 -0.324 0.000 0.188 208 G HA3 0.440 3.362 3.960 -1.726 0.003 0.188 208 G C -2.274 172.323 174.900 -0.505 0.000 1.512 208 G CA 0.225 44.876 45.100 -0.748 0.000 0.679 208 G HN -0.455 7.495 8.290 -0.431 0.081 0.640 209 L N -7.311 113.551 121.223 -0.602 0.000 2.925 209 L HA 0.400 4.570 4.340 -0.284 0.000 0.280 209 L C -2.177 174.446 176.870 -0.411 0.000 0.981 209 L CA 0.419 55.035 54.840 -0.374 0.000 1.040 209 L CB 0.820 42.729 42.059 -0.250 0.000 1.614 209 L HN 0.296 7.928 8.230 -0.791 0.123 0.353 210 F N 0.150 119.770 119.950 -0.550 0.000 2.293 210 F HA 0.172 4.245 4.527 -0.757 0.000 0.272 210 F C -0.466 174.902 175.800 -0.721 0.000 1.053 210 F CA 1.148 58.777 58.000 -0.619 0.000 1.152 210 F CB 3.034 41.679 39.000 -0.592 0.000 1.119 210 F HN -0.247 7.947 8.300 -0.177 0.000 0.564 211 H N -4.188 114.860 119.070 -0.036 0.000 3.289 211 H HA 0.232 4.768 4.556 -0.034 0.000 0.330 211 H C -1.070 174.284 175.328 0.044 0.000 1.187 211 H CA -0.390 55.654 56.048 -0.007 0.000 1.601 211 H CB 2.094 31.875 29.762 0.031 0.000 1.997 211 H HN -0.129 8.217 8.280 0.110 0.000 0.489 212 S N 3.098 118.865 115.700 0.111 0.000 2.694 212 S HA 0.221 4.733 4.470 0.070 0.000 0.278 212 S C -1.208 173.459 174.600 0.112 0.000 1.152 212 S CA -0.413 57.844 58.200 0.095 0.000 1.010 212 S CB 1.805 65.058 63.200 0.088 0.000 1.104 212 S HN -0.177 8.397 8.310 0.074 -0.220 0.547 213 A N 0.576 123.445 122.820 0.082 0.000 2.752 213 A HA -0.110 4.252 4.320 0.070 0.000 0.292 213 A C -0.434 177.216 177.584 0.109 0.000 1.597 213 A CA 0.665 52.749 52.037 0.078 0.000 1.241 213 A CB -1.326 17.707 19.000 0.056 0.000 1.061 213 A HN 0.125 8.648 8.150 0.063 -0.335 0.576 214 N N 4.333 123.122 118.700 0.148 0.000 2.370 214 N HA -0.041 4.893 4.740 0.173 -0.090 0.198 214 N C 0.286 175.944 175.510 0.247 0.000 1.156 214 N CA 0.649 53.826 53.050 0.211 0.000 0.839 214 N CB -0.421 38.247 38.487 0.302 0.000 0.989 214 N HN 0.272 8.723 8.380 0.133 0.009 0.468 215 T N -2.031 112.642 114.554 0.197 0.000 2.802 215 T HA -0.303 4.257 4.350 0.351 0.000 0.269 215 T C 0.531 175.339 174.700 0.180 0.000 1.062 215 T CA 2.896 65.131 62.100 0.225 0.000 1.133 215 T CB -0.776 68.179 68.868 0.144 0.000 0.852 215 T HN 0.028 8.268 8.240 0.135 0.081 0.485 216 E N -2.287 117.993 120.200 0.134 0.000 2.367 216 E HA 0.123 4.523 4.350 0.083 0.000 0.204 216 E C -0.316 176.333 176.600 0.083 0.000 0.840 216 E CA 0.046 56.500 56.400 0.090 0.000 1.051 216 E CB 1.736 31.472 29.700 0.061 0.000 1.051 216 E HN -0.684 7.721 8.360 0.129 0.033 0.509 217 A N 0.206 123.090 122.820 0.107 0.000 2.275 217 A HA -0.042 4.458 4.320 0.063 -0.142 0.276 217 A C 0.796 178.454 177.584 0.123 0.000 1.232 217 A CA 0.452 52.552 52.037 0.105 0.000 0.814 217 A CB 0.803 19.886 19.000 0.139 0.000 1.145 217 A HN -0.659 7.512 8.150 0.119 0.051 0.508 218 L N -2.320 118.985 121.223 0.137 0.000 2.477 218 L HA 0.149 4.528 4.340 0.066 0.000 0.220 218 L C 1.373 178.415 176.870 0.287 0.000 1.106 218 L CA 1.292 56.218 54.840 0.143 0.000 0.851 218 L CB -0.141 41.990 42.059 0.119 0.000 0.994 218 L HN 0.424 8.740 8.230 0.144 0.000 0.462 219 M N -1.583 118.199 119.600 0.304 0.000 2.619 219 M HA -0.192 4.574 4.480 0.476 0.000 0.251 219 M C -0.027 176.631 176.300 0.597 0.000 1.106 219 M CA 2.337 57.874 55.300 0.396 0.000 1.086 219 M CB -0.032 32.671 32.600 0.171 0.000 1.465 219 M HN -0.647 7.901 8.290 0.260 -0.102 0.506 220 Y N -3.009 117.439 120.300 0.247 0.000 2.779 220 Y HA 0.278 4.946 4.550 0.197 0.000 0.251 220 Y C -1.795 174.199 175.900 0.157 0.000 1.145 220 Y CA -1.958 56.257 58.100 0.192 0.000 1.201 220 Y CB -0.598 37.961 38.460 0.164 0.000 1.281 220 Y HN -0.545 7.913 8.280 0.384 0.053 0.563 221 P HA -0.036 4.434 4.420 0.082 0.000 0.219 221 P C 0.407 177.698 177.300 -0.016 0.000 1.154 221 P CA 1.047 64.171 63.100 0.039 0.000 0.826 221 P CB 0.419 32.119 31.700 -0.002 0.000 0.795 222 L N -1.575 119.616 121.223 -0.053 0.000 2.125 222 L HA -0.371 3.921 4.340 -0.081 0.000 0.234 222 L C 0.520 177.365 176.870 -0.042 0.000 1.110 222 L CA 2.897 57.691 54.840 -0.078 0.000 0.832 222 L CB -1.186 40.798 42.059 -0.125 0.000 0.922 222 L HN -0.094 8.122 8.230 -0.022 0.000 0.449 223 Y N -2.195 117.977 120.300 -0.213 0.000 3.168 223 Y HA -0.254 4.218 4.550 -0.130 0.000 0.373 223 Y C -1.325 174.550 175.900 -0.042 0.000 1.073 223 Y CA 1.162 59.161 58.100 -0.170 0.000 2.070 223 Y CB -1.768 36.520 38.460 -0.287 0.000 2.252 223 Y HN 0.219 8.437 8.280 -0.115 -0.007 0.404 224 H N 2.748 121.670 119.070 -0.247 0.000 4.478 224 H HA 0.095 4.487 4.556 -0.272 0.000 0.299 224 H C -2.107 173.136 175.328 -0.141 0.000 1.375 224 H CA 0.266 56.196 56.048 -0.198 0.000 0.960 224 H CB 1.071 30.779 29.762 -0.089 0.000 1.508 224 H HN 0.436 8.588 8.280 -0.066 0.088 0.682 225 S N 0.145 115.836 115.700 -0.014 0.000 2.605 225 S HA 0.329 4.765 4.470 -0.056 0.000 0.279 225 S C -1.881 172.600 174.600 -0.198 0.000 1.166 225 S CA 0.399 58.541 58.200 -0.096 0.000 0.975 225 S CB 2.050 65.238 63.200 -0.019 0.000 1.111 225 S HN -0.015 8.046 8.310 -0.416 0.000 0.465 226 L N 4.236 125.390 121.223 -0.115 0.000 2.722 226 L HA 0.127 4.468 4.340 0.002 0.000 0.329 226 L C -0.603 176.237 176.870 -0.049 0.000 1.257 226 L CA 1.126 55.929 54.840 -0.062 0.000 0.742 226 L CB 0.718 42.711 42.059 -0.109 0.000 1.054 226 L HN 0.311 8.482 8.230 -0.098 0.000 0.528 227 T N 0.797 115.325 114.554 -0.045 0.000 3.044 227 T HA -0.027 4.078 4.350 -0.407 0.000 0.250 227 T C -0.355 174.465 174.700 0.201 0.000 1.081 227 T CA 1.147 63.197 62.100 -0.084 0.000 1.040 227 T CB 0.331 69.135 68.868 -0.105 0.000 0.962 227 T HN 0.302 8.520 8.240 -0.036 0.000 0.506 228 D N -3.470 116.997 120.400 0.112 0.000 1.729 228 D HA -0.053 4.063 4.640 -0.873 0.000 0.797 228 D C 0.035 176.159 176.300 -0.292 0.000 0.500 228 D CA 1.237 55.045 54.000 -0.321 0.000 1.326 228 D CB 0.557 41.182 40.800 -0.292 0.000 1.139 228 D HN -0.390 7.994 8.370 0.100 0.046 0.378 229 L N -1.929 119.263 121.223 -0.051 0.000 2.158 229 L HA -0.319 4.184 4.340 -0.050 -0.193 0.249 229 L C 1.533 178.431 176.870 0.047 0.000 1.097 229 L CA 2.760 57.593 54.840 -0.012 0.000 0.844 229 L CB -1.117 40.951 42.059 0.015 0.000 0.940 229 L HN 0.049 8.267 8.230 -0.020 0.000 0.436 230 T N -9.339 105.316 114.554 0.167 0.000 3.080 230 T HA 0.060 4.554 4.350 0.239 0.000 0.280 230 T C 0.005 174.884 174.700 0.299 0.000 0.926 230 T CA 0.499 62.732 62.100 0.221 0.000 0.883 230 T CB 1.398 70.326 68.868 0.100 0.000 1.194 230 T HN 0.108 8.436 8.240 0.146 0.000 0.541 231 R N -0.849 119.831 120.500 0.299 0.000 2.276 231 R HA 0.151 4.481 4.340 -0.017 0.000 0.195 231 R C -0.392 175.868 176.300 -0.067 0.000 0.908 231 R CA 0.166 56.308 56.100 0.070 0.000 1.083 231 R CB 1.173 31.477 30.300 0.006 0.000 1.182 231 R HN -0.146 8.307 8.270 0.305 0.000 0.608 232 F N -0.981 118.997 119.950 0.047 0.000 1.876 232 F HA -0.228 4.521 4.527 0.064 -0.183 0.441 232 F C -0.575 175.413 175.800 0.314 0.000 0.892 232 F CA -0.026 58.082 58.000 0.180 0.000 0.922 232 F CB -1.708 37.461 39.000 0.283 0.000 0.713 232 F HN -0.180 8.381 8.300 0.434 0.000 0.496 233 R N 1.981 122.549 120.500 0.113 0.000 2.993 233 R HA -0.011 4.501 4.340 0.285 0.000 0.288 233 R C -2.682 173.644 176.300 0.042 0.000 0.982 233 R CA -0.927 55.205 56.100 0.053 0.000 0.832 233 R CB 1.439 31.570 30.300 -0.283 0.000 1.340 233 R HN -0.194 8.129 8.270 0.089 0.000 0.516 234 L N -1.040 120.155 121.223 -0.048 0.000 2.431 234 L HA 0.236 4.551 4.340 -0.041 0.000 0.260 234 L C 0.031 176.866 176.870 -0.059 0.000 1.098 234 L CA -0.678 54.109 54.840 -0.088 0.000 0.800 234 L CB 0.972 42.877 42.059 -0.256 0.000 1.210 234 L HN 0.047 8.212 8.230 -0.109 0.000 0.465 235 S N -1.073 114.620 115.700 -0.012 0.000 2.677 235 S HA 0.024 4.487 4.470 -0.013 0.000 0.290 235 S C -0.052 174.555 174.600 0.011 0.000 1.124 235 S CA -1.316 56.888 58.200 0.005 0.000 1.017 235 S CB 1.115 64.340 63.200 0.041 0.000 1.215 235 S HN -0.229 8.090 8.310 0.014 0.000 0.524 236 Q N 0.074 119.885 119.800 0.019 0.000 2.424 236 Q HA -0.082 4.268 4.340 0.017 0.000 0.204 236 Q C 0.475 176.502 176.000 0.044 0.000 0.933 236 Q CA 2.272 58.089 55.803 0.024 0.000 0.929 236 Q CB -0.039 28.709 28.738 0.016 0.000 1.037 236 Q HN 0.593 8.876 8.270 0.021 0.000 0.511 237 D N -0.060 120.374 120.400 0.056 0.000 2.149 237 D HA -0.120 4.550 4.640 0.051 0.000 0.206 237 D C 1.177 177.536 176.300 0.099 0.000 0.967 237 D CA 4.138 58.178 54.000 0.066 0.000 0.848 237 D CB 0.133 40.973 40.800 0.066 0.000 0.998 237 D HN -0.722 7.638 8.370 0.056 0.044 0.474 238 D N 0.183 120.665 120.400 0.137 0.000 2.144 238 D HA -0.169 4.595 4.640 0.207 0.000 0.200 238 D C 2.133 178.603 176.300 0.283 0.000 0.978 238 D CA 3.315 57.463 54.000 0.247 0.000 0.833 238 D CB -0.320 40.696 40.800 0.360 0.000 0.961 238 D HN 0.132 8.573 8.370 0.119 0.000 0.470 239 I N -1.921 118.744 120.570 0.158 0.000 2.264 239 I HA -0.417 3.848 4.170 0.159 0.000 0.248 239 I C 1.436 177.630 176.117 0.129 0.000 1.111 239 I CA 2.414 63.789 61.300 0.125 0.000 1.382 239 I CB -0.367 37.657 38.000 0.041 0.000 1.060 239 I HN -0.399 7.865 8.210 0.101 0.006 0.418 240 N N 0.298 119.057 118.700 0.099 0.000 2.080 240 N HA -0.309 4.469 4.740 0.064 0.000 0.189 240 N C 1.953 177.506 175.510 0.073 0.000 1.036 240 N CA 3.037 56.129 53.050 0.071 0.000 0.846 240 N CB -0.404 38.111 38.487 0.046 0.000 1.015 240 N HN -0.422 7.789 8.380 0.093 0.225 0.423 241 G N -0.115 108.730 108.800 0.075 0.000 2.480 241 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.216 241 G HA3 -0.346 3.620 3.960 0.009 0.000 0.216 241 G C 1.507 176.436 174.900 0.047 0.000 1.200 241 G CA 2.086 47.204 45.100 0.030 0.000 0.782 241 G HN 0.207 8.491 8.290 0.092 0.061 0.554 242 I N 2.387 123.037 120.570 0.134 0.000 2.226 242 I HA -0.174 4.247 4.170 0.067 -0.211 0.245 242 I C 1.571 177.796 176.117 0.180 0.000 1.100 242 I CA 0.556 61.962 61.300 0.177 0.000 1.374 242 I CB -0.195 38.081 38.000 0.460 0.000 1.057 242 I HN 0.067 8.410 8.210 0.220 0.000 0.413 243 Q N -1.992 117.909 119.800 0.168 0.000 2.197 243 Q HA -0.410 4.034 4.340 0.173 0.000 0.207 243 Q C 1.832 177.898 176.000 0.110 0.000 0.984 243 Q CA 3.011 58.899 55.803 0.142 0.000 0.869 243 Q CB -0.193 28.607 28.738 0.104 0.000 0.906 243 Q HN 0.058 8.322 8.270 0.174 0.111 0.426 244 S N -3.956 111.788 115.700 0.074 0.000 2.461 244 S HA -0.195 4.294 4.470 0.032 0.000 0.228 244 S C 1.256 175.875 174.600 0.031 0.000 1.005 244 S CA 2.200 60.421 58.200 0.036 0.000 0.942 244 S CB 0.318 63.522 63.200 0.008 0.000 0.776 244 S HN -0.253 7.957 8.310 0.075 0.145 0.514 245 L N 0.347 121.605 121.223 0.059 0.000 1.973 245 L HA -0.206 4.132 4.340 -0.002 0.000 0.208 245 L C 0.271 177.204 176.870 0.105 0.000 1.073 245 L CA 2.672 57.547 54.840 0.059 0.000 0.746 245 L CB 0.356 42.467 42.059 0.087 0.000 0.891 245 L HN -0.274 7.790 8.230 0.081 0.215 0.433 246 Y N -3.389 116.958 120.300 0.078 0.000 2.955 246 Y HA -0.073 4.518 4.550 0.070 0.000 0.238 246 Y C -0.728 175.208 175.900 0.059 0.000 0.940 246 Y CA 1.278 59.426 58.100 0.080 0.000 1.389 246 Y CB 2.316 40.843 38.460 0.112 0.000 1.100 246 Y HN -0.501 7.960 8.280 0.301 0.000 0.558 247 G N -2.964 106.111 108.800 0.458 0.000 2.371 247 G HA2 -0.138 3.940 3.960 0.198 0.000 0.663 247 G HA3 -0.138 3.896 3.960 0.124 0.000 0.663 247 G C -3.093 171.965 174.900 0.263 0.000 1.311 247 G CA -0.888 44.354 45.100 0.236 0.000 0.985 247 G HN -0.422 8.314 8.290 0.743 0.000 0.566 248 P HA 0.246 4.754 4.420 0.146 0.000 0.275 248 P C -2.035 175.323 177.300 0.096 0.000 1.228 248 P CA -1.442 61.731 63.100 0.122 0.000 0.786 248 P CB -0.312 31.433 31.700 0.075 0.000 0.927 249 P HA 0.288 4.738 4.420 0.049 0.000 0.275 249 P C -1.358 175.966 177.300 0.039 0.000 1.227 249 P CA -1.619 61.523 63.100 0.069 0.000 0.781 249 P CB 0.142 31.894 31.700 0.087 0.000 0.906 250 P HA -0.039 4.389 4.420 0.014 0.000 0.213 250 P C -0.555 176.756 177.300 0.017 0.000 1.169 250 P CA 1.437 64.545 63.100 0.013 0.000 0.885 250 P CB 0.711 32.412 31.700 0.002 0.000 0.779 251 D N -4.566 115.844 120.400 0.018 0.000 2.300 251 D HA 0.037 4.690 4.640 0.021 0.000 0.166 251 D C -1.076 175.237 176.300 0.022 0.000 1.455 251 D CA -0.003 54.008 54.000 0.019 0.000 1.341 251 D CB -0.449 40.359 40.800 0.013 0.000 2.309 251 D HN -0.588 7.792 8.370 0.016 0.000 0.293 252 S N 2.123 117.833 115.700 0.018 0.000 3.106 252 S HA -0.028 4.453 4.470 0.019 0.000 0.363 252 S C -0.282 174.337 174.600 0.031 0.000 1.191 252 S CA -0.750 57.462 58.200 0.020 0.000 1.191 252 S CB 1.046 64.255 63.200 0.015 0.000 0.884 252 S HN -0.209 8.109 8.310 0.013 0.000 0.526 253 P HA 0.057 4.508 4.420 0.052 0.000 0.225 253 P C -1.047 176.283 177.300 0.050 0.000 1.156 253 P CA 0.594 63.720 63.100 0.044 0.000 0.787 253 P CB 0.315 32.038 31.700 0.037 0.000 0.802 254 E N -2.994 117.229 120.200 0.039 0.000 2.458 254 E HA 0.228 4.609 4.350 0.052 0.000 0.278 254 E C -1.486 175.132 176.600 0.029 0.000 1.004 254 E CA -1.629 54.794 56.400 0.039 0.000 0.823 254 E CB 0.925 30.644 29.700 0.031 0.000 1.396 254 E HN -0.514 7.834 8.360 0.031 0.031 0.463 255 T N 0.000 114.570 114.554 0.027 0.000 3.816 255 T HA 0.000 4.362 4.350 0.020 0.000 0.228 255 T CA 0.000 62.112 62.100 0.019 0.000 1.349 255 T CB 0.000 68.878 68.868 0.016 0.000 0.612 255 T HN 0.000 8.258 8.240 0.030 0.000 0.658