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 2srt_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 4.602 4.527 0.124 0.000 0.279 83 F C 0.000 175.886 175.800 0.143 0.000 0.967 83 F CA 0.000 58.076 58.000 0.126 0.000 1.383 83 F CB 0.000 39.054 39.000 0.090 0.000 1.145 84 R N -1.052 119.579 120.500 0.218 0.000 2.762 84 R HA 0.307 4.573 4.340 -0.123 0.000 0.271 84 R C -0.916 175.514 176.300 0.216 0.000 1.038 84 R CA -0.696 55.449 56.100 0.076 0.000 0.906 84 R CB 4.352 34.626 30.300 -0.044 0.000 1.259 84 R HN 0.390 8.928 8.270 0.385 -0.037 0.457 85 T N -2.852 111.779 114.554 0.129 0.000 2.121 85 T HA 0.196 4.650 4.350 0.173 0.000 0.197 85 T C -1.016 173.862 174.700 0.297 0.000 0.822 85 T CA -1.073 61.129 62.100 0.169 0.000 1.195 85 T CB 1.459 70.397 68.868 0.117 0.000 3.009 85 T HN 0.119 8.385 8.240 0.043 0.000 0.449 86 F N -2.689 117.236 119.950 -0.042 0.000 3.032 86 F HA 0.174 4.632 4.527 -0.115 0.000 0.331 86 F C -1.894 173.871 175.800 -0.058 0.000 1.125 86 F CA -1.531 56.431 58.000 -0.062 0.000 0.873 86 F CB 1.341 40.333 39.000 -0.013 0.000 1.374 86 F HN -0.320 8.087 8.300 0.179 0.000 0.452 87 P HA 0.186 4.535 4.420 -0.118 0.000 0.263 87 P C -0.921 176.337 177.300 -0.069 0.000 1.601 87 P CA 0.543 63.537 63.100 -0.177 0.000 1.161 87 P CB -1.789 29.739 31.700 -0.288 0.000 1.730 88 G N 3.207 112.001 108.800 -0.010 0.000 2.425 88 G HA2 -0.206 3.748 3.960 -0.009 0.000 0.177 88 G HA3 -0.206 3.762 3.960 0.014 0.000 0.177 88 G C -1.214 173.700 174.900 0.024 0.000 0.999 88 G CA -0.382 44.723 45.100 0.008 0.000 0.723 88 G HN -0.323 7.963 8.290 -0.007 0.000 0.491 89 I N -1.064 119.541 120.570 0.059 0.000 8.455 89 I HA -0.293 3.921 4.170 0.073 0.000 0.126 89 I C -2.697 173.426 176.117 0.011 0.000 1.855 89 I CA -0.139 61.185 61.300 0.040 0.000 2.041 89 I CB 0.088 38.084 38.000 -0.006 0.000 3.831 89 I HN -0.257 7.875 8.210 0.086 0.129 0.170 90 P HA 0.138 4.478 4.420 -0.133 0.000 0.282 90 P C -1.393 175.819 177.300 -0.147 0.000 1.262 90 P CA -0.326 62.717 63.100 -0.096 0.000 0.773 90 P CB 0.588 32.220 31.700 -0.114 0.000 0.879 91 K N -0.984 119.288 120.400 -0.215 0.000 2.594 91 K HA 0.036 4.335 4.320 -0.034 0.000 0.274 91 K C -1.792 174.768 176.600 -0.067 0.000 1.025 91 K CA -0.337 55.857 56.287 -0.156 0.000 1.010 91 K CB 0.088 32.410 32.500 -0.297 0.000 1.377 91 K HN -0.260 7.804 8.250 -0.310 0.000 0.429 92 W N 3.135 124.574 121.300 0.232 0.000 2.170 92 W HA 0.048 4.777 4.660 0.116 0.000 0.336 92 W C 1.358 177.976 176.519 0.165 0.000 1.283 92 W CA -0.638 56.812 57.345 0.175 0.000 1.224 92 W CB 0.852 30.404 29.460 0.153 0.000 1.132 92 W HN 0.582 9.110 8.180 0.580 0.000 0.571 93 R N 1.705 122.460 120.500 0.426 0.000 2.313 93 R HA -0.045 4.415 4.340 0.199 0.000 0.199 93 R C -0.927 175.499 176.300 0.210 0.000 0.958 93 R CA 0.591 56.839 56.100 0.247 0.000 1.047 93 R CB -0.197 30.215 30.300 0.188 0.000 0.955 93 R HN 0.492 9.095 8.270 0.555 0.000 0.481 94 K N -2.466 118.077 120.400 0.238 0.000 2.426 94 K HA 0.299 4.683 4.320 0.107 0.000 0.251 94 K C -1.064 175.603 176.600 0.111 0.000 0.941 94 K CA -1.417 54.946 56.287 0.128 0.000 0.808 94 K CB 3.047 35.578 32.500 0.053 0.000 1.265 94 K HN -0.765 7.628 8.250 0.343 0.062 0.432 95 T N -4.044 110.564 114.554 0.091 0.000 3.009 95 T HA -0.056 4.234 4.350 -0.101 0.000 0.258 95 T C 0.321 174.999 174.700 -0.037 0.000 1.063 95 T CA 1.618 63.727 62.100 0.015 0.000 1.139 95 T CB 0.357 69.272 68.868 0.078 0.000 0.890 95 T HN 0.274 8.576 8.240 0.103 0.000 0.471 96 H N 3.487 122.466 119.070 -0.153 0.000 3.224 96 H HA 0.242 4.683 4.556 -0.192 0.000 0.265 96 H C -0.511 174.705 175.328 -0.186 0.000 1.461 96 H CA -0.669 55.284 56.048 -0.159 0.000 1.509 96 H CB -2.485 27.221 29.762 -0.093 0.000 1.686 96 H HN -0.215 8.241 8.280 0.295 0.000 0.514 97 L N 2.154 123.255 121.223 -0.203 0.000 2.439 97 L HA 0.316 4.632 4.340 -0.257 -0.131 0.259 97 L C 0.719 177.565 176.870 -0.041 0.000 1.129 97 L CA -0.088 54.625 54.840 -0.210 0.000 0.803 97 L CB 1.317 43.196 42.059 -0.300 0.000 1.161 97 L HN 0.349 8.257 8.230 -0.365 0.102 0.462 98 T N -2.652 111.877 114.554 -0.042 0.000 2.906 98 T HA 0.837 5.451 4.350 0.127 -0.188 0.295 98 T C -1.187 173.585 174.700 0.120 0.000 1.061 98 T CA -1.978 60.142 62.100 0.033 0.000 1.000 98 T CB 2.918 71.736 68.868 -0.084 0.000 1.103 98 T HN 0.598 9.085 8.240 -0.165 -0.345 0.486 99 Y N -1.549 118.744 120.300 -0.012 0.000 2.644 99 Y HA 0.588 5.231 4.550 -0.024 -0.108 0.338 99 Y C -2.964 172.913 175.900 -0.040 0.000 1.119 99 Y CA -2.256 55.836 58.100 -0.013 0.000 1.060 99 Y CB 3.529 42.000 38.460 0.020 0.000 1.294 99 Y HN 0.670 8.873 8.280 -0.129 0.000 0.472 100 R N -1.808 118.687 120.500 -0.010 0.000 2.633 100 R HA 0.301 4.458 4.340 -0.304 0.000 0.255 100 R C -2.937 173.331 176.300 -0.053 0.000 1.106 100 R CA -0.427 55.587 56.100 -0.143 0.000 0.959 100 R CB 4.457 34.654 30.300 -0.172 0.000 1.259 100 R HN 0.495 8.882 8.270 0.195 0.000 0.453 101 I N 4.396 124.893 120.570 -0.121 0.000 2.297 101 I HA 0.329 4.585 4.170 -0.273 -0.250 0.291 101 I C 0.118 175.964 176.117 -0.452 0.000 1.033 101 I CA -0.653 60.472 61.300 -0.292 0.000 1.253 101 I CB -0.103 37.722 38.000 -0.292 0.000 1.396 101 I HN 0.384 8.525 8.210 -0.116 0.000 0.476 102 V N 8.670 128.312 119.914 -0.454 0.000 2.379 102 V HA -0.232 3.708 4.120 -0.301 0.000 0.245 102 V C -0.245 175.502 176.094 -0.578 0.000 1.044 102 V CA 2.273 64.336 62.300 -0.395 0.000 1.036 102 V CB 0.577 32.242 31.823 -0.262 0.000 0.664 102 V HN 0.699 8.637 8.190 -0.419 0.000 0.453 103 N N -4.205 113.995 118.700 -0.834 0.000 2.610 103 N HA 0.022 4.222 4.740 -0.901 0.000 0.264 103 N C -2.327 172.480 175.510 -1.172 0.000 1.348 103 N CA -0.966 51.559 53.050 -0.876 0.000 0.819 103 N CB 1.335 39.562 38.487 -0.434 0.000 1.521 103 N HN -0.713 7.113 8.380 -0.923 0.000 0.497 104 Y N -4.084 116.055 120.300 -0.269 0.000 2.772 104 Y HA 0.231 4.655 4.550 -0.210 0.000 0.324 104 Y C -0.232 175.755 175.900 0.145 0.000 1.169 104 Y CA -1.426 56.612 58.100 -0.103 0.000 1.198 104 Y CB 1.754 40.179 38.460 -0.058 0.000 1.402 104 Y HN -0.023 8.153 8.280 -0.174 0.000 0.577 105 T N -0.568 114.207 114.554 0.368 0.000 2.855 105 T HA 0.482 5.102 4.350 0.252 -0.118 0.281 105 T C -1.053 173.761 174.700 0.189 0.000 1.007 105 T CA -4.071 58.183 62.100 0.256 0.000 1.009 105 T CB 1.064 70.039 68.868 0.178 0.000 0.983 105 T HN -0.025 8.430 8.240 0.359 0.000 0.455 106 P HA 0.271 4.746 4.420 0.091 0.000 0.231 106 P C -1.939 175.422 177.300 0.102 0.000 1.756 106 P CA 0.314 63.477 63.100 0.105 0.000 0.990 106 P CB -1.295 30.453 31.700 0.080 0.000 1.973 107 D N -1.944 118.528 120.400 0.119 0.000 1.903 107 D HA -0.034 4.653 4.640 0.079 0.000 0.387 107 D C -0.754 175.605 176.300 0.098 0.000 1.124 107 D CA 0.758 54.827 54.000 0.115 0.000 1.078 107 D CB 2.040 42.949 40.800 0.182 0.000 1.882 107 D HN 0.341 8.724 8.370 0.122 0.061 0.529 108 L N 0.261 121.550 121.223 0.110 0.000 2.352 108 L HA 0.418 4.794 4.340 0.060 0.000 0.269 108 L C -2.093 174.784 176.870 0.012 0.000 1.034 108 L CA -2.408 52.473 54.840 0.068 0.000 0.806 108 L CB 0.419 42.527 42.059 0.082 0.000 1.244 108 L HN -0.637 7.677 8.230 0.139 0.000 0.447 109 P HA 0.183 4.537 4.420 -0.110 0.000 0.276 109 P C -0.491 176.711 177.300 -0.164 0.000 1.261 109 P CA -1.210 61.835 63.100 -0.091 0.000 0.800 109 P CB 0.901 32.559 31.700 -0.070 0.000 1.066 110 K N 0.177 120.388 120.400 -0.315 0.000 1.973 110 K HA -0.398 3.428 4.320 -0.824 0.000 0.212 110 K C 1.785 178.253 176.600 -0.219 0.000 1.047 110 K CA 4.922 60.872 56.287 -0.562 0.000 0.937 110 K CB -0.647 31.382 32.500 -0.786 0.000 0.721 110 K HN 0.316 8.392 8.250 -0.290 0.000 0.440 111 D N -1.972 118.342 120.400 -0.143 0.000 2.190 111 D HA -0.272 4.349 4.640 -0.031 0.000 0.200 111 D C 1.946 178.229 176.300 -0.028 0.000 0.992 111 D CA 3.311 57.277 54.000 -0.056 0.000 0.854 111 D CB -0.509 40.262 40.800 -0.048 0.000 0.936 111 D HN 0.196 8.471 8.370 -0.159 0.000 0.462 112 A N -0.927 121.870 122.820 -0.037 0.000 1.877 112 A HA -0.193 4.121 4.320 -0.010 0.000 0.216 112 A C 2.386 179.973 177.584 0.005 0.000 1.186 112 A CA 2.684 54.715 52.037 -0.011 0.000 0.620 112 A CB -0.522 18.475 19.000 -0.005 0.000 0.822 112 A HN -0.089 7.917 8.150 -0.063 0.105 0.443 113 V N -0.872 119.052 119.914 0.015 0.000 2.261 113 V HA -0.555 3.557 4.120 -0.013 0.000 0.246 113 V C 1.986 178.108 176.094 0.046 0.000 1.047 113 V CA 4.963 67.287 62.300 0.041 0.000 1.015 113 V CB -0.169 31.751 31.823 0.162 0.000 0.642 113 V HN -0.304 7.797 8.190 -0.005 0.086 0.446 114 D N -1.191 119.262 120.400 0.088 0.000 2.190 114 D HA -0.325 4.387 4.640 0.119 0.000 0.200 114 D C 2.698 179.027 176.300 0.049 0.000 0.992 114 D CA 3.288 57.350 54.000 0.103 0.000 0.854 114 D CB -0.674 40.204 40.800 0.130 0.000 0.936 114 D HN -0.005 8.425 8.370 0.100 0.000 0.462 115 S N -0.573 115.136 115.700 0.014 0.000 2.370 115 S HA -0.409 4.041 4.470 -0.034 0.000 0.226 115 S C 1.552 176.118 174.600 -0.057 0.000 1.033 115 S CA 3.511 61.693 58.200 -0.030 0.000 1.011 115 S CB -0.516 62.663 63.200 -0.035 0.000 0.852 115 S HN -0.086 8.017 8.310 0.016 0.216 0.457 116 A N 1.067 123.883 122.820 -0.007 0.000 1.917 116 A HA -0.329 4.060 4.320 0.115 0.000 0.219 116 A C 1.852 179.461 177.584 0.042 0.000 1.182 116 A CA 3.434 55.507 52.037 0.060 0.000 0.633 116 A CB -0.959 18.070 19.000 0.048 0.000 0.819 116 A HN -0.218 7.827 8.150 0.002 0.106 0.448 117 V N 0.037 119.939 119.914 -0.019 0.000 2.244 117 V HA -0.470 3.627 4.120 -0.037 0.000 0.244 117 V C 1.903 177.834 176.094 -0.272 0.000 1.042 117 V CA 4.413 66.645 62.300 -0.113 0.000 1.006 117 V CB -0.367 31.385 31.823 -0.117 0.000 0.641 117 V HN -0.823 7.285 8.190 -0.013 0.075 0.446 118 E N -0.614 119.452 120.200 -0.223 0.000 2.208 118 E HA -0.437 3.719 4.350 -0.323 0.000 0.202 118 E C 2.961 179.412 176.600 -0.250 0.000 1.014 118 E CA 3.447 59.713 56.400 -0.223 0.000 0.819 118 E CB -0.493 29.159 29.700 -0.079 0.000 0.735 118 E HN 0.260 8.448 8.360 -0.108 0.108 0.469 119 K N -1.112 119.129 120.400 -0.264 0.000 2.021 119 K HA -0.270 3.813 4.320 -0.395 0.000 0.205 119 K C 2.061 178.494 176.600 -0.277 0.000 1.047 119 K CA 3.065 59.096 56.287 -0.427 0.000 0.943 119 K CB 0.122 32.114 32.500 -0.846 0.000 0.725 119 K HN 0.368 8.268 8.250 -0.210 0.224 0.439 120 A N 0.790 123.577 122.820 -0.055 0.000 1.917 120 A HA -0.329 4.126 4.320 0.225 0.000 0.219 120 A C 2.307 179.884 177.584 -0.013 0.000 1.182 120 A CA 3.233 55.333 52.037 0.104 0.000 0.633 120 A CB -0.644 18.475 19.000 0.197 0.000 0.819 120 A HN 0.184 8.157 8.150 -0.011 0.170 0.448 121 L N -3.145 117.914 121.223 -0.273 0.000 1.994 121 L HA -0.486 3.468 4.340 -0.644 0.000 0.208 121 L C 2.428 179.156 176.870 -0.236 0.000 1.071 121 L CA 2.905 57.367 54.840 -0.630 0.000 0.745 121 L CB -0.565 40.746 42.059 -1.247 0.000 0.892 121 L HN 0.739 8.653 8.230 -0.337 0.114 0.431 122 K N -1.008 119.289 120.400 -0.173 0.000 2.063 122 K HA -0.343 4.003 4.320 0.045 0.000 0.208 122 K C 2.630 179.217 176.600 -0.022 0.000 1.048 122 K CA 3.075 59.334 56.287 -0.048 0.000 0.928 122 K CB -0.682 31.762 32.500 -0.094 0.000 0.713 122 K HN -0.688 7.421 8.250 -0.235 0.000 0.442 123 V N -2.503 117.353 119.914 -0.097 0.000 2.380 123 V HA -0.327 3.746 4.120 -0.078 0.000 0.251 123 V C 0.866 176.824 176.094 -0.227 0.000 1.063 123 V CA 4.578 66.777 62.300 -0.169 0.000 1.055 123 V CB 0.047 31.751 31.823 -0.198 0.000 0.657 123 V HN 0.164 8.192 8.190 -0.127 0.086 0.455 124 W N -4.501 116.852 121.300 0.089 0.000 2.630 124 W HA -0.131 4.584 4.660 0.091 0.000 0.271 124 W C 2.071 178.669 176.519 0.131 0.000 1.244 124 W CA 0.767 58.178 57.345 0.109 0.000 1.353 124 W CB 0.658 30.193 29.460 0.126 0.000 1.080 124 W HN -0.623 7.495 8.180 0.123 0.135 0.594 125 E N 1.604 122.024 120.200 0.367 0.000 2.267 125 E HA -0.351 4.170 4.350 0.286 0.000 0.197 125 E C 0.941 177.623 176.600 0.138 0.000 0.998 125 E CA 2.855 59.420 56.400 0.275 0.000 0.830 125 E CB -0.396 29.470 29.700 0.276 0.000 0.751 125 E HN 0.076 8.432 8.360 0.331 0.202 0.491 126 E N -3.936 116.328 120.200 0.106 0.000 2.358 126 E HA -0.082 4.294 4.350 0.043 0.000 0.195 126 E C 1.133 177.769 176.600 0.059 0.000 1.010 126 E CA 1.602 58.033 56.400 0.052 0.000 0.856 126 E CB 0.576 30.282 29.700 0.009 0.000 0.795 126 E HN -0.558 7.822 8.360 0.107 0.044 0.504 127 V N -7.295 112.685 119.914 0.110 0.000 3.166 127 V HA 0.467 4.631 4.120 0.073 0.000 0.332 127 V C -1.413 174.766 176.094 0.142 0.000 1.434 127 V CA -0.557 61.813 62.300 0.116 0.000 1.121 127 V CB 1.443 33.346 31.823 0.133 0.000 1.062 127 V HN -0.131 7.977 8.190 0.166 0.181 0.489 128 T N -2.350 112.275 114.554 0.120 0.000 2.843 128 T HA 0.494 4.886 4.350 0.071 0.000 0.302 128 T C -2.176 172.521 174.700 -0.004 0.000 1.232 128 T CA -3.207 58.926 62.100 0.055 0.000 1.009 128 T CB 1.948 70.826 68.868 0.018 0.000 1.254 128 T HN -0.651 7.549 8.240 0.123 0.113 0.504 129 P HA 0.122 4.523 4.420 -0.031 0.000 0.237 129 P C -0.622 176.588 177.300 -0.150 0.000 1.178 129 P CA 0.369 63.434 63.100 -0.058 0.000 0.766 129 P CB 0.134 31.829 31.700 -0.008 0.000 0.876 130 L N -0.954 120.108 121.223 -0.268 0.000 2.482 130 L HA -0.139 3.961 4.340 -0.400 0.000 0.273 130 L C 0.118 176.688 176.870 -0.500 0.000 1.228 130 L CA 0.617 55.188 54.840 -0.448 0.000 0.827 130 L CB 0.255 41.959 42.059 -0.592 0.000 1.099 130 L HN -0.963 7.041 8.230 -0.258 0.072 0.494 131 T N -4.749 109.395 114.554 -0.682 0.000 2.901 131 T HA 0.632 4.887 4.350 -0.464 -0.183 0.293 131 T C -1.170 173.013 174.700 -0.862 0.000 1.084 131 T CA -2.374 59.342 62.100 -0.641 0.000 1.008 131 T CB 3.515 72.084 68.868 -0.499 0.000 1.170 131 T HN 0.582 8.334 8.240 -0.623 0.115 0.509 132 F N -0.814 119.095 119.950 -0.069 0.000 2.613 132 F HA 0.489 5.211 4.527 0.022 -0.182 0.314 132 F C -1.039 174.812 175.800 0.085 0.000 1.075 132 F CA -1.192 56.827 58.000 0.032 0.000 0.945 132 F CB 4.433 43.455 39.000 0.037 0.000 1.310 132 F HN -0.240 8.081 8.300 0.034 0.000 0.467 133 S N -0.504 115.403 115.700 0.344 0.000 2.537 133 S HA 0.270 4.852 4.470 0.187 0.000 0.270 133 S C -2.116 172.433 174.600 -0.084 0.000 1.142 133 S CA -0.576 57.712 58.200 0.148 0.000 0.870 133 S CB 3.607 66.828 63.200 0.035 0.000 1.112 133 S HN -0.087 8.484 8.310 0.435 0.000 0.466 134 R N 2.062 122.420 120.500 -0.237 0.000 2.486 134 R HA 0.558 4.452 4.340 -1.048 -0.183 0.286 134 R C -0.038 176.059 176.300 -0.338 0.000 0.999 134 R CA -1.084 54.679 56.100 -0.562 0.000 0.993 134 R CB 1.674 31.709 30.300 -0.442 0.000 1.084 134 R HN 0.193 8.416 8.270 -0.078 0.000 0.487 135 L N 4.115 125.099 121.223 -0.397 0.000 2.372 135 L HA 0.262 4.287 4.340 -0.525 0.000 0.273 135 L C -0.263 176.369 176.870 -0.396 0.000 0.989 135 L CA -1.124 53.442 54.840 -0.456 0.000 0.841 135 L CB 1.166 42.970 42.059 -0.426 0.000 1.225 135 L HN 0.108 8.059 8.230 -0.465 0.000 0.414 136 Y N 0.674 120.914 120.300 -0.100 0.000 2.315 136 Y HA -0.401 4.103 4.550 -0.077 0.000 0.288 136 Y C -0.483 175.378 175.900 -0.065 0.000 1.154 136 Y CA 0.598 58.654 58.100 -0.074 0.000 1.229 136 Y CB -0.190 38.239 38.460 -0.052 0.000 0.980 136 Y HN 0.316 8.304 8.280 -0.486 0.000 0.540 137 E N -2.710 117.317 120.200 -0.288 0.000 2.423 137 E HA -0.006 4.299 4.350 -0.075 0.000 0.280 137 E C -1.087 175.366 176.600 -0.246 0.000 1.030 137 E CA -0.511 55.813 56.400 -0.126 0.000 0.812 137 E CB 2.540 32.298 29.700 0.097 0.000 1.313 137 E HN -0.708 7.049 8.360 -0.970 0.021 0.456 138 G N 0.190 108.909 108.800 -0.135 0.000 2.483 138 G HA2 -0.128 3.783 3.960 -0.081 0.000 0.521 138 G HA3 -0.128 3.736 3.960 -0.160 0.000 0.521 138 G C -1.853 172.980 174.900 -0.111 0.000 1.278 138 G CA -0.739 44.287 45.100 -0.124 0.000 0.965 138 G HN -0.058 8.181 8.290 -0.085 0.000 0.504 139 E N 0.644 120.789 120.200 -0.092 0.000 2.063 139 E HA 0.169 4.478 4.350 -0.068 0.000 0.265 139 E C -0.787 175.762 176.600 -0.085 0.000 0.919 139 E CA -1.046 55.312 56.400 -0.071 0.000 0.756 139 E CB 0.911 30.587 29.700 -0.039 0.000 1.120 139 E HN 0.171 8.479 8.360 -0.086 0.000 0.414 140 A N 6.546 129.309 122.820 -0.095 0.000 2.287 140 A HA -0.006 4.241 4.320 -0.121 0.000 0.273 140 A C -0.335 177.205 177.584 -0.073 0.000 1.091 140 A CA -0.609 51.367 52.037 -0.101 0.000 0.817 140 A CB 1.112 20.041 19.000 -0.117 0.000 1.069 140 A HN 0.335 8.428 8.150 -0.095 0.000 0.492 141 D N -0.616 119.711 120.400 -0.121 0.000 2.097 141 D HA -0.164 4.373 4.640 -0.171 0.000 0.195 141 D C 0.645 176.921 176.300 -0.041 0.000 0.989 141 D CA 3.226 57.105 54.000 -0.202 0.000 0.827 141 D CB 0.610 41.090 40.800 -0.533 0.000 0.966 141 D HN -0.074 8.142 8.370 -0.138 0.071 0.456 142 I N 0.407 120.995 120.570 0.030 0.000 2.377 142 I HA 0.132 4.398 4.170 0.161 0.000 0.282 142 I C -1.717 174.485 176.117 0.143 0.000 1.091 142 I CA -1.067 60.316 61.300 0.138 0.000 1.207 142 I CB -0.779 37.332 38.000 0.185 0.000 1.429 142 I HN 0.177 8.292 8.210 0.032 0.115 0.491 143 M N 7.243 126.909 119.600 0.110 0.000 2.664 143 M HA 0.212 4.871 4.480 0.042 -0.154 0.332 143 M C -0.651 175.712 176.300 0.105 0.000 1.354 143 M CA -0.550 54.792 55.300 0.071 0.000 1.399 143 M CB -0.315 32.308 32.600 0.037 0.000 1.224 143 M HN 0.163 8.523 8.290 0.116 0.000 0.479 144 I N 6.067 126.703 120.570 0.111 0.000 2.517 144 I HA -0.083 4.383 4.170 0.283 -0.127 0.285 144 I C -1.062 175.038 176.117 -0.028 0.000 1.106 144 I CA 0.849 62.246 61.300 0.162 0.000 1.402 144 I CB -0.013 38.117 38.000 0.216 0.000 1.399 144 I HN 0.732 9.011 8.210 0.114 0.000 0.535 145 S N 7.347 123.115 115.700 0.114 0.000 2.619 145 S HA 0.569 4.908 4.470 -0.446 -0.136 0.280 145 S C -0.678 174.020 174.600 0.162 0.000 1.150 145 S CA -0.872 57.270 58.200 -0.098 0.000 0.978 145 S CB 2.512 65.661 63.200 -0.086 0.000 1.041 145 S HN 0.405 8.948 8.310 0.388 0.000 0.485 146 F N 5.090 124.994 119.950 -0.077 0.000 2.370 146 F HA -0.015 4.610 4.527 0.028 -0.081 0.319 146 F C 0.018 175.697 175.800 -0.201 0.000 1.129 146 F CA -2.599 55.345 58.000 -0.092 0.000 1.109 146 F CB 0.939 39.855 39.000 -0.140 0.000 1.262 146 F HN 0.580 8.890 8.300 -0.555 -0.344 0.534 147 A N -0.005 122.749 122.820 -0.110 0.000 2.582 147 A HA 0.237 4.506 4.320 -0.084 0.000 0.297 147 A C -2.115 175.270 177.584 -0.331 0.000 1.059 147 A CA -0.523 51.392 52.037 -0.202 0.000 0.705 147 A CB 2.585 21.425 19.000 -0.265 0.000 1.279 147 A HN -0.101 7.930 8.150 -0.198 0.000 0.404 148 V N -0.778 119.054 119.914 -0.137 0.000 2.973 148 V HA 0.295 4.220 4.120 -0.325 0.000 0.314 148 V C -0.095 176.095 176.094 0.160 0.000 1.066 148 V CA -1.865 60.379 62.300 -0.093 0.000 1.021 148 V CB 1.744 33.541 31.823 -0.042 0.000 1.076 148 V HN 0.090 8.251 8.190 -0.048 0.000 0.462 149 R N -2.527 118.128 120.500 0.259 0.000 3.576 149 R HA -0.511 4.195 4.340 0.334 -0.166 0.572 149 R C 0.132 176.701 176.300 0.449 0.000 0.241 149 R CA 1.831 58.121 56.100 0.317 0.000 1.771 149 R CB -1.357 29.060 30.300 0.196 0.000 0.906 149 R HN 0.424 8.830 8.270 0.227 0.000 0.606 150 E N -0.168 120.227 120.200 0.324 0.000 2.413 150 E HA -0.216 4.339 4.350 0.341 0.000 0.263 150 E C -0.886 175.935 176.600 0.369 0.000 1.015 150 E CA 1.157 57.742 56.400 0.309 0.000 0.916 150 E CB 0.162 29.975 29.700 0.187 0.000 0.947 150 E HN 0.179 8.682 8.360 0.239 0.000 0.440 151 H N 1.168 120.437 119.070 0.332 0.000 3.345 151 H HA 0.052 4.710 4.556 0.170 0.000 0.215 151 H C -0.656 174.876 175.328 0.340 0.000 1.368 151 H CA -1.078 55.133 56.048 0.271 0.000 1.211 151 H CB -0.265 29.621 29.762 0.206 0.000 2.467 151 H HN 0.229 8.587 8.280 0.130 0.000 0.530 152 G N 0.361 109.225 108.800 0.107 0.000 2.796 152 G HA2 -0.404 3.542 3.960 -0.023 0.000 0.571 152 G HA3 -0.404 3.574 3.960 0.030 0.000 0.571 152 G C -1.537 173.164 174.900 -0.331 0.000 1.370 152 G CA -0.535 44.553 45.100 -0.020 0.000 0.856 152 G HN -0.113 8.239 8.290 0.102 0.000 0.538 153 D N -1.325 118.790 120.400 -0.474 0.000 3.819 153 D HA -0.316 3.909 4.640 -0.691 0.000 0.273 153 D C -0.883 174.943 176.300 -0.789 0.000 2.114 153 D CA 2.195 55.618 54.000 -0.960 0.000 1.109 153 D CB 0.293 40.019 40.800 -1.790 0.000 0.950 153 D HN -0.022 8.180 8.370 -0.280 0.000 1.132 154 F N -2.896 116.672 119.950 -0.635 0.000 2.449 154 F HA 0.356 4.757 4.527 -0.210 0.000 0.344 154 F C -1.258 174.445 175.800 -0.163 0.000 1.180 154 F CA -1.761 56.059 58.000 -0.301 0.000 1.209 154 F CB -0.149 38.763 39.000 -0.148 0.000 1.440 154 F HN 0.283 7.214 8.300 -2.282 0.000 0.526 155 Y N -1.917 118.412 120.300 0.048 0.000 2.643 155 Y HA 0.374 5.004 4.550 0.134 0.000 0.290 155 Y C -3.377 172.593 175.900 0.117 0.000 1.064 155 Y CA -4.796 53.368 58.100 0.107 0.000 1.205 155 Y CB -1.154 37.394 38.460 0.146 0.000 1.130 155 Y HN -0.267 8.011 8.280 -0.005 0.000 0.593 156 P HA 0.030 4.694 4.420 0.407 0.000 0.279 156 P C -1.094 176.360 177.300 0.257 0.000 1.318 156 P CA -0.814 62.476 63.100 0.316 0.000 0.819 156 P CB -0.428 31.405 31.700 0.221 0.000 0.927 157 F N 4.756 124.873 119.950 0.278 0.000 2.646 157 F HA -0.249 4.337 4.527 0.099 0.000 0.321 157 F C -0.198 175.669 175.800 0.111 0.000 1.241 157 F CA 2.565 60.652 58.000 0.146 0.000 1.365 157 F CB 0.854 39.921 39.000 0.111 0.000 1.143 157 F HN -0.468 8.233 8.300 0.668 0.000 0.601 158 D N 0.666 121.273 120.400 0.345 0.000 2.251 158 D HA 0.056 4.803 4.640 0.179 0.000 0.210 158 D C -0.514 175.871 176.300 0.142 0.000 1.304 158 D CA 0.431 54.545 54.000 0.190 0.000 0.912 158 D CB 1.875 42.752 40.800 0.128 0.000 1.553 158 D HN 0.089 8.737 8.370 0.463 0.000 0.526 159 G N 3.838 112.698 108.800 0.100 0.000 2.740 159 G HA2 -0.386 3.754 3.960 0.024 0.000 0.250 159 G HA3 -0.386 3.593 3.960 0.032 0.000 0.250 159 G C -2.645 172.270 174.900 0.024 0.000 1.358 159 G CA -0.563 44.563 45.100 0.043 0.000 0.897 159 G HN -0.218 8.219 8.290 0.101 -0.087 0.567 160 P HA -0.086 4.354 4.420 -0.103 -0.082 0.279 160 P C -0.276 176.983 177.300 -0.068 0.000 1.282 160 P CA -0.342 62.708 63.100 -0.084 0.000 0.788 160 P CB 0.747 32.373 31.700 -0.123 0.000 1.139 161 G N -0.494 108.233 108.800 -0.122 0.000 2.697 161 G HA2 -0.508 3.393 3.960 -0.157 0.000 0.240 161 G HA3 -0.508 3.399 3.960 -0.089 0.000 0.240 161 G C -1.305 173.564 174.900 -0.051 0.000 1.346 161 G CA -0.653 44.382 45.100 -0.107 0.000 0.887 161 G HN 0.083 8.553 8.290 -0.191 -0.295 0.569 162 N N -3.464 115.207 118.700 -0.048 0.000 1.527 162 N HA -0.278 4.441 4.740 -0.034 0.000 0.109 162 N C -0.589 174.906 175.510 -0.024 0.000 0.829 162 N CA 0.573 53.606 53.050 -0.027 0.000 0.846 162 N CB -0.725 37.760 38.487 -0.003 0.000 0.864 162 N HN -0.040 8.304 8.380 -0.061 0.000 0.691 163 V N 2.313 122.203 119.914 -0.040 0.000 2.703 163 V HA -0.233 3.845 4.120 -0.070 0.000 0.300 163 V C 0.009 176.163 176.094 0.099 0.000 1.063 163 V CA 1.554 63.809 62.300 -0.073 0.000 1.240 163 V CB -0.015 31.601 31.823 -0.346 0.000 0.845 163 V HN 0.173 8.328 8.190 -0.058 0.000 0.476 164 L N 3.585 124.853 121.223 0.074 0.000 2.168 164 L HA 0.132 4.715 4.340 0.174 -0.139 0.203 164 L C 0.122 177.165 176.870 0.289 0.000 1.078 164 L CA 1.001 55.949 54.840 0.181 0.000 0.780 164 L CB 0.584 42.707 42.059 0.108 0.000 0.939 164 L HN 0.038 8.270 8.230 0.005 0.000 0.451 165 A N -6.435 116.427 122.820 0.071 0.000 2.582 165 A HA 0.273 4.735 4.320 0.107 -0.079 0.297 165 A C -1.971 175.596 177.584 -0.029 0.000 1.059 165 A CA -0.413 51.573 52.037 -0.085 0.000 0.705 165 A CB 1.934 20.535 19.000 -0.664 0.000 1.279 165 A HN -0.726 7.425 8.150 0.001 0.000 0.404 166 H N -0.169 118.889 119.070 -0.019 0.000 2.834 166 H HA 0.496 5.078 4.556 0.043 0.000 0.369 166 H C -2.584 172.733 175.328 -0.018 0.000 1.174 166 H CA -2.681 53.356 56.048 -0.018 0.000 1.165 166 H CB 2.644 32.359 29.762 -0.079 0.000 1.820 166 H HN 0.561 8.971 8.280 0.218 0.000 0.558 167 A N -1.620 121.242 122.820 0.069 0.000 2.612 167 A HA 0.149 4.493 4.320 0.040 0.000 0.293 167 A C -2.390 175.130 177.584 -0.107 0.000 1.075 167 A CA -0.374 51.689 52.037 0.043 0.000 0.680 167 A CB 3.233 22.303 19.000 0.117 0.000 1.279 167 A HN 0.214 8.342 8.150 -0.036 0.000 0.411 168 Y N -0.353 119.839 120.300 -0.180 0.000 2.602 168 Y HA 0.161 4.601 4.550 -0.182 0.000 0.330 168 Y C -0.599 175.183 175.900 -0.196 0.000 1.114 168 Y CA -1.102 56.901 58.100 -0.161 0.000 1.182 168 Y CB 2.965 41.376 38.460 -0.083 0.000 1.305 168 Y HN -0.044 8.383 8.280 0.244 0.000 0.502 169 A N -1.165 121.584 122.820 -0.118 0.000 2.409 169 A HA 0.486 4.795 4.320 -0.402 -0.230 0.246 169 A C -1.385 176.100 177.584 -0.166 0.000 1.099 169 A CA -1.349 50.470 52.037 -0.364 0.000 0.789 169 A CB -0.953 17.363 19.000 -1.140 0.000 1.053 169 A HN 0.341 8.465 8.150 -0.043 0.000 0.503 170 P HA 0.008 4.375 4.420 -0.088 0.000 0.275 170 P C -0.458 176.625 177.300 -0.362 0.000 1.228 170 P CA 0.034 62.931 63.100 -0.338 0.000 0.786 170 P CB 0.630 31.880 31.700 -0.749 0.000 0.927 171 G N -1.880 106.756 108.800 -0.274 0.000 2.359 171 G HA2 -0.051 3.767 3.960 -0.238 0.000 0.293 171 G HA3 -0.051 3.881 3.960 -0.047 0.000 0.293 171 G C -3.256 171.746 174.900 0.171 0.000 1.300 171 G CA -0.642 44.397 45.100 -0.100 0.000 0.888 171 G HN -0.503 7.769 8.290 -0.030 0.000 0.541 172 P HA 0.146 4.688 4.420 0.203 0.000 0.276 172 P C 0.368 177.731 177.300 0.104 0.000 1.244 172 P CA -0.331 62.862 63.100 0.155 0.000 0.801 172 P CB 0.455 32.226 31.700 0.119 0.000 1.006 173 G N 0.995 109.848 108.800 0.089 0.000 2.531 173 G HA2 -0.460 3.528 3.960 0.048 0.000 0.274 173 G HA3 -0.460 3.519 3.960 0.032 0.000 0.274 173 G C 0.824 175.742 174.900 0.030 0.000 1.159 173 G CA 0.654 45.784 45.100 0.049 0.000 0.969 173 G HN 0.233 8.582 8.290 0.099 0.000 0.554 174 I N 5.436 125.980 120.570 -0.043 0.000 2.335 174 I HA -0.311 3.810 4.170 -0.080 0.000 0.251 174 I C -0.117 175.902 176.117 -0.163 0.000 1.129 174 I CA 1.484 62.682 61.300 -0.171 0.000 1.402 174 I CB 0.324 38.089 38.000 -0.392 0.000 1.069 174 I HN 0.166 8.346 8.210 -0.051 0.000 0.424 175 N N -1.801 116.884 118.700 -0.024 0.000 2.479 175 N HA -0.255 4.590 4.740 0.121 -0.032 0.257 175 N C -0.244 175.352 175.510 0.143 0.000 1.232 175 N CA 2.316 55.415 53.050 0.082 0.000 0.920 175 N CB 0.383 38.930 38.487 0.100 0.000 1.105 175 N HN -0.808 7.556 8.380 0.003 0.017 0.444 176 G N 1.742 110.647 108.800 0.176 0.000 2.363 176 G HA2 -0.463 3.696 3.960 0.331 0.000 0.238 176 G HA3 -0.463 3.758 3.960 0.434 0.000 0.238 176 G C -0.436 174.597 174.900 0.223 0.000 1.062 176 G CA 0.052 45.329 45.100 0.296 0.000 0.629 176 G HN 0.551 8.845 8.290 0.139 0.080 0.514 177 D N 2.480 122.975 120.400 0.158 0.000 2.377 177 D HA -0.035 4.719 4.640 0.191 0.000 0.245 177 D C -2.359 174.001 176.300 0.100 0.000 1.196 177 D CA 0.448 54.542 54.000 0.156 0.000 0.962 177 D CB 1.478 42.393 40.800 0.192 0.000 1.127 177 D HN -0.675 7.663 8.370 0.122 0.105 0.471 178 A N -2.247 120.682 122.820 0.182 0.000 2.459 178 A HA 0.460 4.779 4.320 -0.003 0.000 0.296 178 A C -2.392 175.476 177.584 0.472 0.000 1.039 178 A CA -0.676 51.471 52.037 0.182 0.000 0.698 178 A CB 2.798 21.951 19.000 0.255 0.000 1.261 178 A HN 0.137 8.474 8.150 0.312 0.000 0.405 179 H N 2.677 121.985 119.070 0.397 0.000 2.489 179 H HA 0.772 5.883 4.556 0.527 -0.239 0.343 179 H C -0.987 174.558 175.328 0.362 0.000 1.086 179 H CA -2.890 53.431 56.048 0.454 0.000 1.198 179 H CB 2.755 32.731 29.762 0.358 0.000 1.490 179 H HN 0.440 8.842 8.280 0.203 0.000 0.504 180 F N 0.100 120.156 119.950 0.177 0.000 2.452 180 F HA 0.065 4.632 4.527 0.067 0.000 0.353 180 F C -0.677 174.878 175.800 -0.408 0.000 1.089 180 F CA -0.860 57.039 58.000 -0.168 0.000 1.080 180 F CB 1.968 40.395 39.000 -0.954 0.000 1.399 180 F HN 0.439 9.266 8.300 0.878 0.000 0.492 181 D N -0.096 120.244 120.400 -0.100 0.000 2.359 181 D HA 0.246 3.941 4.640 -1.575 0.000 0.230 181 D C -0.401 175.888 176.300 -0.018 0.000 1.118 181 D CA -1.274 52.413 54.000 -0.522 0.000 0.844 181 D CB 1.311 42.029 40.800 -0.137 0.000 1.059 181 D HN -0.243 8.360 8.370 0.389 0.000 0.493 182 D N 5.388 125.685 120.400 -0.171 0.000 2.317 182 D HA -0.064 4.681 4.640 0.175 0.000 0.211 182 D C 0.208 176.537 176.300 0.048 0.000 0.966 182 D CA 1.766 55.795 54.000 0.048 0.000 0.876 182 D CB 0.619 41.442 40.800 0.037 0.000 0.927 182 D HN 0.432 8.571 8.370 -0.386 0.000 0.519 183 D N 0.392 120.754 120.400 -0.063 0.000 3.038 183 D HA 0.079 4.709 4.640 -0.017 0.000 0.243 183 D C -2.126 174.123 176.300 -0.084 0.000 1.245 183 D CA -0.278 53.693 54.000 -0.049 0.000 0.871 183 D CB -1.332 39.441 40.800 -0.045 0.000 1.089 183 D HN -0.465 7.983 8.370 -0.187 -0.190 0.464 184 E N -3.034 117.101 120.200 -0.109 0.000 2.388 184 E HA 0.161 4.350 4.350 -0.268 0.000 0.280 184 E C -2.610 173.682 176.600 -0.512 0.000 1.019 184 E CA -0.924 55.269 56.400 -0.345 0.000 0.806 184 E CB 2.703 32.086 29.700 -0.529 0.000 1.246 184 E HN -0.807 7.470 8.360 0.002 0.083 0.443 185 Q N 3.599 123.087 119.800 -0.520 0.000 2.394 185 Q HA -0.094 4.312 4.340 -0.187 -0.178 0.248 185 Q C -0.980 174.609 176.000 -0.684 0.000 0.992 185 Q CA 0.599 56.164 55.803 -0.397 0.000 0.888 185 Q CB 1.001 29.602 28.738 -0.229 0.000 1.257 185 Q HN 0.209 8.216 8.270 -0.438 0.000 0.462 186 W N 1.133 122.417 121.300 -0.027 0.000 3.083 186 W HA 0.248 4.901 4.660 -0.011 0.000 0.333 186 W C -1.189 175.332 176.519 0.003 0.000 1.217 186 W CA -1.210 56.127 57.345 -0.014 0.000 1.170 186 W CB 3.656 33.101 29.460 -0.025 0.000 1.437 186 W HN -0.096 8.136 8.180 0.087 0.000 0.557 187 T N -2.623 112.105 114.554 0.291 0.000 2.812 187 T HA 0.352 4.789 4.350 0.145 0.000 0.294 187 T C -1.351 173.453 174.700 0.173 0.000 1.159 187 T CA -1.473 60.731 62.100 0.174 0.000 1.008 187 T CB 3.220 72.156 68.868 0.114 0.000 1.289 187 T HN 0.034 8.507 8.240 0.388 0.000 0.514 188 K N -0.496 119.977 120.400 0.122 0.000 2.455 188 K HA 0.060 4.461 4.320 0.136 0.000 0.206 188 K C -1.694 174.972 176.600 0.110 0.000 1.027 188 K CA -0.322 56.031 56.287 0.111 0.000 1.113 188 K CB 0.129 32.672 32.500 0.072 0.000 0.850 188 K HN 0.403 8.712 8.250 0.098 0.000 0.503 189 D N -5.100 115.368 120.400 0.114 0.000 2.809 189 D HA 0.026 4.735 4.640 0.116 0.000 0.336 189 D C -1.421 174.935 176.300 0.094 0.000 1.367 189 D CA -1.120 52.939 54.000 0.099 0.000 0.815 189 D CB 1.392 42.235 40.800 0.071 0.000 1.381 189 D HN -0.701 7.673 8.370 0.121 0.069 0.471 190 T N -2.781 111.820 114.554 0.077 0.000 3.474 190 T HA -0.036 4.372 4.350 0.096 0.000 0.270 190 T C -0.472 174.266 174.700 0.064 0.000 1.079 190 T CA 0.548 62.693 62.100 0.075 0.000 1.110 190 T CB -1.162 67.741 68.868 0.058 0.000 1.087 190 T HN 0.119 8.402 8.240 0.071 0.000 0.784 191 T N 3.877 118.471 114.554 0.067 0.000 3.555 191 T HA 0.099 4.470 4.350 0.034 0.000 0.290 191 T C -0.368 174.346 174.700 0.023 0.000 0.893 191 T CA 0.496 62.620 62.100 0.040 0.000 1.029 191 T CB 0.770 69.658 68.868 0.034 0.000 1.188 191 T HN -0.003 8.268 8.240 0.084 0.019 0.526 192 G N 2.371 111.191 108.800 0.033 0.000 3.075 192 G HA2 0.246 4.175 3.960 -0.052 0.000 0.156 192 G HA3 0.246 4.200 3.960 -0.009 0.000 0.156 192 G C -1.229 173.655 174.900 -0.026 0.000 1.403 192 G CA -0.624 44.467 45.100 -0.014 0.000 1.033 192 G HN -0.641 7.686 8.290 0.061 0.000 0.589 193 T N 2.803 117.312 114.554 -0.076 0.000 3.477 193 T HA -0.132 4.177 4.350 -0.068 0.000 0.347 193 T C -0.485 174.381 174.700 0.276 0.000 1.567 193 T CA -0.126 61.940 62.100 -0.057 0.000 1.169 193 T CB -1.234 67.382 68.868 -0.420 0.000 1.196 193 T HN -0.055 8.111 8.240 -0.123 0.000 0.768 194 N N 5.719 124.603 118.700 0.308 0.000 2.034 194 N HA -0.440 4.562 4.740 0.234 -0.122 0.293 194 N C 0.550 176.259 175.510 0.333 0.000 1.336 194 N CA 1.688 54.893 53.050 0.259 0.000 0.819 194 N CB 0.343 38.899 38.487 0.116 0.000 1.071 194 N HN -0.250 8.320 8.380 0.316 0.000 0.495 195 L N 8.333 129.773 121.223 0.361 0.000 1.976 195 L HA -0.261 4.345 4.340 0.444 0.000 0.209 195 L C 1.394 178.392 176.870 0.214 0.000 1.071 195 L CA 3.318 58.331 54.840 0.288 0.000 0.746 195 L CB -0.160 41.935 42.059 0.061 0.000 0.890 195 L HN -0.136 8.285 8.230 0.318 0.000 0.432 196 F N -1.831 118.149 119.950 0.051 0.000 2.087 196 F HA -0.344 4.310 4.527 0.004 -0.124 0.299 196 F C 1.248 177.023 175.800 -0.042 0.000 1.100 196 F CA 1.922 59.914 58.000 -0.014 0.000 1.226 196 F CB -0.994 37.958 39.000 -0.081 0.000 0.983 196 F HN -0.550 7.935 8.300 0.308 0.000 0.479 197 L N -2.313 118.434 121.223 -0.792 0.000 2.043 197 L HA -0.369 2.971 4.340 -1.668 0.000 0.212 197 L C 2.132 178.816 176.870 -0.310 0.000 1.075 197 L CA 3.631 57.917 54.840 -0.923 0.000 0.752 197 L CB -0.728 40.951 42.059 -0.632 0.000 0.891 197 L HN 0.366 8.740 8.230 -0.436 -0.405 0.432 198 V N -1.839 118.084 119.914 0.014 0.000 2.591 198 V HA -0.364 3.834 4.120 0.131 0.000 0.249 198 V C 1.287 177.463 176.094 0.137 0.000 1.053 198 V CA 3.214 65.607 62.300 0.155 0.000 1.068 198 V CB -0.507 31.525 31.823 0.350 0.000 0.689 198 V HN -0.223 7.916 8.190 0.100 0.111 0.462 199 A N 0.126 123.089 122.820 0.238 0.000 1.929 199 A HA -0.212 4.457 4.320 0.441 -0.085 0.216 199 A C 1.685 179.438 177.584 0.280 0.000 1.176 199 A CA 3.255 55.522 52.037 0.383 0.000 0.628 199 A CB -1.008 18.256 19.000 0.439 0.000 0.816 199 A HN 0.535 8.565 8.150 0.208 0.246 0.444 200 A N -3.401 119.548 122.820 0.214 0.000 2.067 200 A HA -0.340 4.225 4.320 0.409 0.000 0.219 200 A C 1.049 178.864 177.584 0.385 0.000 1.158 200 A CA 2.819 55.026 52.037 0.283 0.000 0.661 200 A CB -0.820 18.213 19.000 0.055 0.000 0.801 200 A HN 0.470 8.571 8.150 0.084 0.100 0.452 201 H N 0.184 119.343 119.070 0.149 0.000 2.294 201 H HA -0.154 4.499 4.556 0.161 0.000 0.306 201 H C 2.145 177.466 175.328 -0.011 0.000 1.065 201 H CA 3.459 59.565 56.048 0.097 0.000 1.343 201 H CB 0.617 30.418 29.762 0.064 0.000 1.396 201 H HN -0.718 7.576 8.280 0.252 0.137 0.506 202 E N -0.381 119.955 120.200 0.226 0.000 2.049 202 E HA -0.395 4.117 4.350 0.270 0.000 0.198 202 E C 2.396 179.032 176.600 0.060 0.000 1.007 202 E CA 2.703 59.178 56.400 0.124 0.000 0.809 202 E CB -0.985 28.652 29.700 -0.105 0.000 0.749 202 E HN -0.410 8.062 8.360 0.186 0.000 0.450 203 I N -0.378 120.256 120.570 0.107 0.000 2.248 203 I HA -0.370 3.848 4.170 0.080 0.000 0.248 203 I C 1.826 177.863 176.117 -0.133 0.000 1.107 203 I CA 3.957 65.298 61.300 0.069 0.000 1.373 203 I CB -0.076 38.020 38.000 0.161 0.000 1.055 203 I HN 0.118 8.433 8.210 0.175 0.000 0.418 204 G N -1.789 106.886 108.800 -0.210 0.000 2.469 204 G HA2 -0.369 2.994 3.960 -0.994 0.000 0.219 204 G HA3 -0.369 3.323 3.960 -0.506 -0.036 0.219 204 G C 1.414 175.975 174.900 -0.565 0.000 1.150 204 G CA 2.538 47.295 45.100 -0.572 0.000 0.763 204 G HN -0.306 7.861 8.290 -0.009 0.117 0.561 205 H N 2.488 121.291 119.070 -0.445 0.000 2.387 205 H HA 0.021 4.092 4.556 -1.052 -0.146 0.299 205 H C 2.964 178.028 175.328 -0.440 0.000 1.090 205 H CA 2.215 57.869 56.048 -0.657 0.000 1.332 205 H CB -0.349 29.067 29.762 -0.577 0.000 1.386 205 H HN -0.312 7.597 8.280 -0.473 0.088 0.516 206 S N 0.631 116.268 115.700 -0.106 0.000 2.383 206 S HA -0.104 4.603 4.470 0.020 -0.225 0.227 206 S C 2.080 176.692 174.600 0.021 0.000 1.026 206 S CA 3.801 62.007 58.200 0.011 0.000 0.981 206 S CB -0.008 63.259 63.200 0.111 0.000 0.818 206 S HN -0.570 7.577 8.310 -0.080 0.115 0.472 207 L N -1.893 119.273 121.223 -0.095 0.000 2.044 207 L HA -0.302 4.138 4.340 0.166 0.000 0.205 207 L C -0.021 176.797 176.870 -0.087 0.000 1.075 207 L CA 1.887 56.693 54.840 -0.056 0.000 0.747 207 L CB 0.744 42.628 42.059 -0.292 0.000 0.903 207 L HN 0.047 7.938 8.230 -0.218 0.208 0.435 208 G N -4.933 103.743 108.800 -0.207 0.000 2.511 208 G HA2 -0.106 3.733 3.960 -0.200 0.000 0.230 208 G HA3 -0.106 3.798 3.960 -0.093 0.000 0.230 208 G C -2.016 172.838 174.900 -0.076 0.000 1.264 208 G CA -0.368 44.642 45.100 -0.150 0.000 0.866 208 G HN -0.205 7.895 8.290 -0.316 0.000 0.523 209 L N -7.275 113.837 121.223 -0.184 0.000 2.612 209 L HA 0.589 5.364 4.340 0.284 -0.264 0.256 209 L C -2.905 173.865 176.870 -0.167 0.000 0.949 209 L CA -0.321 54.527 54.840 0.012 0.000 0.867 209 L CB 2.818 44.877 42.059 0.001 0.000 1.417 209 L HN -0.606 7.382 8.230 -0.402 0.000 0.414 210 F N -1.463 118.476 119.950 -0.019 0.000 2.746 210 F HA 0.385 4.842 4.527 -0.115 0.000 0.378 210 F C 0.005 175.825 175.800 0.033 0.000 1.165 210 F CA -1.991 56.006 58.000 -0.005 0.000 1.089 210 F CB 3.169 42.185 39.000 0.027 0.000 1.439 210 F HN -0.133 8.456 8.300 0.472 -0.005 0.516 211 H N -0.397 118.850 119.070 0.295 0.000 3.152 211 H HA -0.077 4.832 4.556 0.122 -0.280 0.319 211 H C -0.352 175.070 175.328 0.157 0.000 0.994 211 H CA 0.778 56.932 56.048 0.176 0.000 1.370 211 H CB 0.243 30.102 29.762 0.161 0.000 1.322 211 H HN 0.129 8.472 8.280 0.106 0.000 0.590 212 S N 1.089 116.981 115.700 0.320 0.000 2.767 212 S HA 0.041 4.703 4.470 0.215 -0.063 0.300 212 S C -1.264 173.506 174.600 0.284 0.000 1.123 212 S CA -0.294 58.073 58.200 0.278 0.000 0.992 212 S CB 2.332 65.717 63.200 0.307 0.000 1.138 212 S HN 0.113 8.627 8.310 0.340 0.000 0.550 213 A N 0.919 123.875 122.820 0.226 0.000 3.293 213 A HA 0.232 4.704 4.320 0.253 0.000 0.282 213 A C -1.573 176.103 177.584 0.153 0.000 1.394 213 A CA -0.842 51.315 52.037 0.199 0.000 1.118 213 A CB -0.483 18.594 19.000 0.130 0.000 1.133 213 A HN 0.258 8.909 8.150 0.222 -0.368 0.627 214 N N -0.432 118.357 118.700 0.148 0.000 2.405 214 N HA 0.075 4.775 4.740 -0.067 0.000 0.274 214 N C -1.267 174.008 175.510 -0.392 0.000 1.170 214 N CA -0.513 52.502 53.050 -0.059 0.000 0.848 214 N CB 2.316 40.784 38.487 -0.032 0.000 1.629 214 N HN -0.775 7.723 8.380 0.300 0.062 0.481 215 T N 0.871 115.082 114.554 -0.571 0.000 3.044 215 T HA -0.051 3.136 4.350 -1.938 0.000 0.255 215 T C 0.541 174.904 174.700 -0.561 0.000 1.073 215 T CA 1.969 63.528 62.100 -0.902 0.000 1.125 215 T CB 0.618 69.150 68.868 -0.561 0.000 0.908 215 T HN 0.051 8.082 8.240 -0.349 0.000 0.480 216 E N 1.649 121.579 120.200 -0.450 0.000 2.427 216 E HA -0.193 3.503 4.350 -1.091 0.000 0.196 216 E C -0.783 175.480 176.600 -0.562 0.000 1.028 216 E CA 0.128 56.163 56.400 -0.608 0.000 0.864 216 E CB -0.005 29.515 29.700 -0.300 0.000 0.813 216 E HN -0.188 8.300 8.360 -0.322 -0.321 0.514 217 A N -3.669 118.959 122.820 -0.320 0.000 2.351 217 A HA -0.006 4.213 4.320 -0.168 0.000 0.257 217 A C 0.481 178.044 177.584 -0.036 0.000 1.087 217 A CA -0.259 51.700 52.037 -0.131 0.000 0.798 217 A CB 0.799 19.811 19.000 0.021 0.000 1.033 217 A HN -0.756 7.068 8.150 -0.287 0.154 0.488 218 L N 1.403 122.666 121.223 0.067 0.000 2.477 218 L HA 0.220 4.660 4.340 0.168 0.000 0.220 218 L C 1.050 178.091 176.870 0.285 0.000 1.106 218 L CA 1.562 56.517 54.840 0.192 0.000 0.851 218 L CB 1.056 43.294 42.059 0.298 0.000 0.994 218 L HN 0.075 8.459 8.230 0.044 -0.127 0.462 219 M N -2.969 116.758 119.600 0.212 0.000 2.595 219 M HA -0.004 4.324 4.480 -0.253 0.000 0.248 219 M C 0.134 176.603 176.300 0.283 0.000 1.119 219 M CA -1.613 53.737 55.300 0.083 0.000 1.079 219 M CB -1.966 30.688 32.600 0.089 0.000 1.472 219 M HN -0.721 7.835 8.290 0.188 -0.154 0.501 220 Y N 3.397 123.787 120.300 0.151 0.000 2.702 220 Y HA -0.104 4.489 4.550 0.072 0.000 0.336 220 Y C -0.623 175.281 175.900 0.006 0.000 1.235 220 Y CA -0.355 57.793 58.100 0.080 0.000 1.492 220 Y CB 0.316 38.809 38.460 0.056 0.000 1.308 220 Y HN -0.927 7.416 8.280 0.374 0.162 0.589 221 P HA 0.000 3.998 4.420 -0.704 0.000 0.237 221 P C -1.805 175.242 177.300 -0.422 0.000 1.723 221 P CA 0.399 63.020 63.100 -0.798 0.000 0.882 221 P CB -1.668 29.456 31.700 -0.960 0.000 1.810 222 L N -1.171 119.990 121.223 -0.103 0.000 2.666 222 L HA 0.040 4.416 4.340 0.059 0.000 0.259 222 L C -2.326 174.714 176.870 0.282 0.000 0.919 222 L CA 0.327 55.244 54.840 0.128 0.000 0.927 222 L CB 3.012 45.202 42.059 0.217 0.000 1.423 222 L HN -0.437 7.705 8.230 0.039 0.111 0.426 223 Y N 3.349 123.701 120.300 0.088 0.000 2.805 223 Y HA -0.109 4.498 4.550 0.094 0.000 0.337 223 Y C -0.949 175.050 175.900 0.165 0.000 1.252 223 Y CA 1.449 59.605 58.100 0.093 0.000 1.515 223 Y CB 0.703 39.177 38.460 0.023 0.000 1.305 223 Y HN -0.053 8.407 8.280 0.300 0.000 0.600 224 H N 3.966 122.827 119.070 -0.348 0.000 2.934 224 H HA 0.254 4.764 4.556 -0.076 0.000 0.340 224 H C -1.704 173.427 175.328 -0.329 0.000 1.008 224 H CA -0.607 55.323 56.048 -0.197 0.000 1.317 224 H CB 1.806 31.536 29.762 -0.054 0.000 1.670 224 H HN 0.128 8.054 8.280 -0.591 0.000 0.516 225 S N 4.856 120.387 115.700 -0.281 0.000 2.759 225 S HA 0.397 4.785 4.470 -0.136 0.000 0.310 225 S C -2.231 172.346 174.600 -0.038 0.000 1.123 225 S CA -1.115 57.002 58.200 -0.138 0.000 0.959 225 S CB 1.960 65.111 63.200 -0.082 0.000 1.172 225 S HN 0.198 8.250 8.310 -0.430 0.000 0.539 226 L N -0.653 120.585 121.223 0.024 0.000 2.466 226 L HA 0.337 4.693 4.340 0.027 0.000 0.258 226 L C -0.152 176.742 176.870 0.040 0.000 0.973 226 L CA -0.397 54.476 54.840 0.055 0.000 0.826 226 L CB 3.130 45.263 42.059 0.125 0.000 1.372 226 L HN -0.111 8.131 8.230 0.020 0.000 0.409 227 T N 1.101 115.674 114.554 0.031 0.000 2.721 227 T HA -0.266 4.097 4.350 0.020 0.000 0.268 227 T C -0.312 174.411 174.700 0.038 0.000 1.038 227 T CA 2.430 64.547 62.100 0.027 0.000 1.145 227 T CB 0.155 69.035 68.868 0.021 0.000 0.858 227 T HN 0.236 8.493 8.240 0.027 0.000 0.459 228 D N -0.607 119.824 120.400 0.053 0.000 2.336 228 D HA 0.157 4.831 4.640 0.057 0.000 0.248 228 D C -0.372 175.987 176.300 0.097 0.000 1.326 228 D CA -0.216 53.821 54.000 0.063 0.000 0.973 228 D CB 0.968 41.798 40.800 0.050 0.000 1.255 228 D HN -0.384 8.012 8.370 0.059 0.009 0.558 229 L N 1.872 123.161 121.223 0.110 0.000 2.362 229 L HA -0.151 4.320 4.340 0.218 0.000 0.219 229 L C 0.092 177.087 176.870 0.208 0.000 1.134 229 L CA 2.769 57.710 54.840 0.168 0.000 0.807 229 L CB 0.147 42.271 42.059 0.110 0.000 0.927 229 L HN 0.393 8.676 8.230 0.087 0.000 0.447 230 T N -1.323 113.312 114.554 0.134 0.000 3.077 230 T HA -0.304 4.109 4.350 0.105 0.000 0.269 230 T C 0.958 175.723 174.700 0.109 0.000 1.146 230 T CA 2.921 65.084 62.100 0.104 0.000 1.091 230 T CB -1.004 67.900 68.868 0.060 0.000 0.892 230 T HN -0.100 8.163 8.240 0.103 0.039 0.533 231 R N -2.055 118.524 120.500 0.131 0.000 2.446 231 R HA 0.221 4.604 4.340 0.072 0.000 0.254 231 R C -0.704 175.668 176.300 0.120 0.000 0.918 231 R CA -1.594 54.563 56.100 0.095 0.000 1.069 231 R CB 0.567 30.899 30.300 0.054 0.000 1.194 231 R HN -0.287 7.881 8.270 0.147 0.190 0.534 232 F N 2.798 122.768 119.950 0.034 0.000 2.657 232 F HA -0.356 4.171 4.527 0.001 0.000 0.354 232 F C -1.371 174.424 175.800 -0.009 0.000 1.148 232 F CA 1.706 59.718 58.000 0.019 0.000 1.368 232 F CB 0.302 39.335 39.000 0.056 0.000 1.036 232 F HN -0.307 8.034 8.300 0.354 0.171 0.619 233 R N 5.806 125.584 120.500 -1.204 0.000 2.692 233 R HA 0.241 4.052 4.340 -0.882 0.000 0.269 233 R C -1.441 174.173 176.300 -1.144 0.000 1.030 233 R CA -1.089 54.405 56.100 -1.009 0.000 0.882 233 R CB 3.678 33.726 30.300 -0.421 0.000 1.250 233 R HN 0.080 7.607 8.270 -1.238 0.000 0.465 234 L N 1.676 122.457 121.223 -0.737 0.000 2.397 234 L HA 0.072 4.114 4.340 -0.497 0.000 0.271 234 L C 0.017 176.716 176.870 -0.286 0.000 1.148 234 L CA 0.104 54.663 54.840 -0.469 0.000 0.825 234 L CB 0.287 42.112 42.059 -0.391 0.000 1.117 234 L HN 0.251 8.140 8.230 -0.568 0.000 0.456 235 S N 1.840 117.420 115.700 -0.200 0.000 2.603 235 S HA -0.034 4.342 4.470 -0.156 0.000 0.268 235 S C 0.504 175.068 174.600 -0.061 0.000 1.317 235 S CA -0.616 57.506 58.200 -0.130 0.000 1.012 235 S CB 1.048 64.182 63.200 -0.110 0.000 0.926 235 S HN -0.211 8.106 8.310 -0.181 -0.115 0.539 236 Q N 1.645 121.415 119.800 -0.050 0.000 2.197 236 Q HA -0.371 3.946 4.340 -0.038 0.000 0.207 236 Q C 1.817 177.812 176.000 -0.007 0.000 0.984 236 Q CA 4.212 59.997 55.803 -0.030 0.000 0.869 236 Q CB -0.466 28.256 28.738 -0.027 0.000 0.906 236 Q HN 0.687 8.921 8.270 -0.060 0.000 0.426 237 D N -3.351 117.071 120.400 0.036 0.000 2.123 237 D HA -0.309 4.413 4.640 0.137 0.000 0.196 237 D C 2.076 178.466 176.300 0.150 0.000 0.992 237 D CA 3.804 57.880 54.000 0.127 0.000 0.833 237 D CB -0.328 40.570 40.800 0.162 0.000 0.954 237 D HN 0.343 8.707 8.370 0.020 0.018 0.455 238 D N -0.566 119.915 120.400 0.136 0.000 2.084 238 D HA -0.209 4.605 4.640 0.289 0.000 0.196 238 D C 2.391 178.781 176.300 0.149 0.000 0.985 238 D CA 3.115 57.248 54.000 0.221 0.000 0.826 238 D CB -0.153 40.812 40.800 0.274 0.000 0.978 238 D HN -0.337 7.982 8.370 0.087 0.104 0.456 239 I N -0.137 120.484 120.570 0.084 0.000 2.264 239 I HA -0.492 3.778 4.170 0.166 0.000 0.248 239 I C 1.637 177.693 176.117 -0.101 0.000 1.111 239 I CA 3.607 64.938 61.300 0.052 0.000 1.382 239 I CB -0.217 37.796 38.000 0.021 0.000 1.060 239 I HN -0.371 7.870 8.210 0.052 0.000 0.418 240 N N -0.218 118.338 118.700 -0.240 0.000 2.073 240 N HA -0.443 4.126 4.740 -0.285 0.000 0.199 240 N C 2.047 177.149 175.510 -0.680 0.000 1.023 240 N CA 3.564 56.321 53.050 -0.489 0.000 0.880 240 N CB -0.461 37.577 38.487 -0.748 0.000 1.052 240 N HN 0.397 8.564 8.380 -0.166 0.114 0.449 241 G N -1.788 106.476 108.800 -0.893 0.000 2.408 241 G HA2 -0.182 3.468 3.960 -0.516 0.000 0.213 241 G HA3 -0.182 3.645 3.960 -0.221 0.000 0.213 241 G C 1.204 176.043 174.900 -0.102 0.000 1.177 241 G CA 1.454 46.251 45.100 -0.506 0.000 0.802 241 G HN -0.570 7.252 8.290 -0.786 -0.003 0.533 242 I N 1.703 122.255 120.570 -0.031 0.000 2.423 242 I HA -0.481 3.722 4.170 0.054 0.000 0.254 242 I C 1.305 177.501 176.117 0.132 0.000 1.151 242 I CA 2.906 64.246 61.300 0.067 0.000 1.421 242 I CB 0.325 38.405 38.000 0.134 0.000 1.079 242 I HN -0.613 7.578 8.210 -0.032 0.000 0.431 243 Q N -2.100 117.733 119.800 0.055 0.000 2.226 243 Q HA -0.082 4.395 4.340 0.139 -0.054 0.199 243 Q C 2.933 178.957 176.000 0.040 0.000 0.945 243 Q CA 2.640 58.485 55.803 0.071 0.000 0.861 243 Q CB 0.525 29.280 28.738 0.029 0.000 0.953 243 Q HN 0.255 8.481 8.270 -0.023 0.030 0.490 244 S N 1.350 117.031 115.700 -0.031 0.000 2.419 244 S HA -0.247 4.209 4.470 -0.023 0.000 0.235 244 S C 1.088 175.672 174.600 -0.026 0.000 1.019 244 S CA 3.622 61.801 58.200 -0.034 0.000 0.982 244 S CB -0.127 63.035 63.200 -0.064 0.000 0.789 244 S HN -0.292 7.889 8.310 -0.094 0.073 0.490 245 L N -2.780 118.429 121.223 -0.024 0.000 2.477 245 L HA -0.085 4.162 4.340 -0.155 0.000 0.220 245 L C -0.375 176.284 176.870 -0.353 0.000 1.106 245 L CA 1.771 56.520 54.840 -0.152 0.000 0.851 245 L CB 0.926 42.918 42.059 -0.111 0.000 0.994 245 L HN -0.282 7.928 8.230 0.022 0.033 0.462 246 Y N -3.675 116.634 120.300 0.014 0.000 2.807 246 Y HA 0.049 4.614 4.550 0.025 0.000 0.116 246 Y C -0.402 175.509 175.900 0.019 0.000 0.916 246 Y CA 0.324 58.438 58.100 0.023 0.000 1.871 246 Y CB 2.421 40.900 38.460 0.032 0.000 1.213 246 Y HN -0.495 7.674 8.280 0.135 0.193 0.235 247 G N 0.358 109.302 108.800 0.240 0.000 3.434 247 G HA2 -0.127 3.894 3.960 0.102 0.000 0.686 247 G HA3 -0.127 3.889 3.960 0.094 0.000 0.686 247 G C -2.692 172.270 174.900 0.103 0.000 1.099 247 G CA -0.847 44.328 45.100 0.125 0.000 0.931 247 G HN -0.210 8.258 8.290 0.296 0.000 0.520 248 P HA 0.307 4.756 4.420 0.048 0.000 0.276 248 P C -2.002 175.323 177.300 0.041 0.000 1.261 248 P CA -1.856 61.273 63.100 0.050 0.000 0.800 248 P CB -0.277 31.446 31.700 0.040 0.000 1.066 249 P HA 0.216 4.654 4.420 0.029 0.000 0.276 249 P C -1.579 175.734 177.300 0.021 0.000 1.252 249 P CA -1.544 61.572 63.100 0.027 0.000 0.802 249 P CB -1.029 30.686 31.700 0.025 0.000 1.035 250 P HA 0.075 4.503 4.420 0.013 0.000 0.279 250 P C -1.149 176.158 177.300 0.012 0.000 1.282 250 P CA -0.778 62.330 63.100 0.014 0.000 0.788 250 P CB 0.517 32.224 31.700 0.012 0.000 1.139 251 D N -1.318 119.087 120.400 0.009 0.000 2.443 251 D HA -0.081 4.564 4.640 0.007 0.000 0.239 251 D C 0.031 176.336 176.300 0.007 0.000 1.136 251 D CA 0.539 54.543 54.000 0.007 0.000 0.879 251 D CB 0.534 41.337 40.800 0.005 0.000 1.195 251 D HN -0.110 8.265 8.370 0.008 0.000 0.443 252 S N 0.672 116.377 115.700 0.007 0.000 2.345 252 S HA -0.106 4.369 4.470 0.009 0.000 0.220 252 S C -0.472 174.132 174.600 0.006 0.000 1.031 252 S CA 2.220 60.425 58.200 0.007 0.000 0.996 252 S CB -0.284 62.920 63.200 0.007 0.000 0.882 252 S HN 0.102 8.416 8.310 0.007 0.000 0.445 253 P HA 0.210 4.633 4.420 0.004 0.000 0.241 253 P C -1.446 175.857 177.300 0.004 0.000 1.760 253 P CA -0.229 62.874 63.100 0.004 0.000 1.081 253 P CB -1.266 30.436 31.700 0.003 0.000 1.975 254 E N 2.636 122.839 120.200 0.005 0.000 2.335 254 E HA 0.099 4.452 4.350 0.004 0.000 0.280 254 E C -1.488 175.115 176.600 0.005 0.000 0.918 254 E CA -1.160 55.242 56.400 0.005 0.000 0.765 254 E CB 3.183 32.886 29.700 0.005 0.000 1.218 254 E HN -0.310 8.018 8.360 0.005 0.035 0.425 255 T N 0.000 114.557 114.554 0.004 0.000 3.816 255 T HA 0.000 4.352 4.350 0.004 0.000 0.228 255 T CA 0.000 62.103 62.100 0.004 0.000 1.349 255 T CB 0.000 68.871 68.868 0.005 0.000 0.612 255 T HN 0.000 8.242 8.240 0.004 0.000 0.658