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 1mjd_18_A DATA FIRST_RESID 38 DATA SEQUENCE GAMDPEFALS NEKKAKKVRF YRNGDRYFKG IVYAVSSDRF RSFDALLADL DATA SEQUENCE TRSLSDNINL PQGVRYIYTI DGSRKIGSMD ELEEGESYVC SSDNFFKKVE DATA SEQUENCE YTKNVNPNWS VNV 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 38 G HA2 0.000 nan 3.960 nan 0.000 0.244 38 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 38 G C 0.000 174.901 174.900 0.002 0.000 0.946 38 G CA 0.000 45.101 45.100 0.001 0.000 0.502 39 A N -1.062 121.760 122.820 0.003 0.000 6.507 39 A HA -0.221 4.101 4.320 0.004 0.000 0.242 39 A C -1.454 176.131 177.584 0.003 0.000 2.201 39 A CA 0.336 52.375 52.037 0.004 0.000 0.699 39 A CB -0.056 18.947 19.000 0.004 0.000 0.971 39 A HN -0.168 7.984 8.150 0.003 0.000 0.369 40 M N -1.197 118.404 119.600 0.003 0.000 1.778 40 M HA 0.064 4.544 4.480 0.001 0.000 0.200 40 M C -1.937 174.363 176.300 0.001 0.000 1.294 40 M CA 0.579 55.880 55.300 0.001 0.000 0.913 40 M CB 1.021 33.622 32.600 0.002 0.000 1.645 40 M HN 0.149 8.442 8.290 0.004 0.000 0.598 41 D N -1.666 118.735 120.400 0.002 0.000 2.937 41 D HA 0.274 4.913 4.640 -0.002 0.000 0.215 41 D C -2.107 174.196 176.300 0.005 0.000 1.274 41 D CA -1.661 52.340 54.000 0.001 0.000 0.869 41 D CB 0.160 40.959 40.800 -0.002 0.000 1.675 41 D HN -0.462 7.910 8.370 0.005 0.000 0.538 42 P HA 0.117 4.549 4.420 0.019 0.000 0.274 42 P C -0.988 176.321 177.300 0.014 0.000 1.256 42 P CA -0.222 62.885 63.100 0.012 0.000 0.795 42 P CB 0.913 32.616 31.700 0.006 0.000 1.038 43 E N -0.280 119.944 120.200 0.040 0.000 2.640 43 E HA -0.021 4.337 4.350 0.014 0.000 0.360 43 E C -1.408 175.297 176.600 0.175 0.000 1.014 43 E CA 0.028 56.466 56.400 0.063 0.000 0.757 43 E CB 0.700 30.441 29.700 0.069 0.000 1.565 43 E HN 0.019 8.410 8.360 0.052 0.000 0.381 44 F N 1.337 121.286 119.950 -0.002 0.000 3.040 44 F HA -0.298 4.228 4.527 -0.001 0.000 0.298 44 F C -2.057 173.742 175.800 -0.001 0.000 0.948 44 F CA 1.787 59.786 58.000 -0.001 0.000 1.022 44 F CB -0.568 38.431 39.000 -0.001 0.000 1.023 44 F HN 0.263 8.549 8.300 -0.024 0.000 0.742 45 A N 0.906 123.834 122.820 0.181 0.000 2.579 45 A HA 0.178 4.572 4.320 0.123 0.000 0.288 45 A C -2.515 175.108 177.584 0.066 0.000 1.079 45 A CA -0.301 51.803 52.037 0.113 0.000 0.889 45 A CB 0.894 19.944 19.000 0.083 0.000 1.439 45 A HN -0.374 7.846 8.150 0.118 0.000 0.399 46 L N 1.097 122.356 121.223 0.059 0.000 2.582 46 L HA 0.633 4.990 4.340 0.027 0.000 0.257 46 L C -1.451 175.438 176.870 0.031 0.000 0.974 46 L CA -0.009 54.851 54.840 0.034 0.000 0.851 46 L CB 0.924 42.996 42.059 0.021 0.000 1.424 46 L HN -0.153 8.122 8.230 0.076 0.000 0.412 47 S N -0.537 115.175 115.700 0.021 0.000 2.961 47 S HA -0.016 4.466 4.470 0.021 0.000 0.253 47 S C 0.444 175.051 174.600 0.012 0.000 1.029 47 S CA 0.746 58.957 58.200 0.018 0.000 1.087 47 S CB 1.830 65.040 63.200 0.018 0.000 0.932 47 S HN 0.456 8.776 8.310 0.016 0.000 0.418 48 N N -0.542 118.163 118.700 0.009 0.000 2.356 48 N HA -0.289 4.453 4.740 0.004 0.000 0.217 48 N C -0.952 174.561 175.510 0.005 0.000 0.296 48 N CA 2.278 55.331 53.050 0.005 0.000 4.166 48 N CB -0.009 38.480 38.487 0.003 0.000 0.821 48 N HN 0.105 8.491 8.380 0.010 0.000 0.229 49 E N 0.557 120.762 120.200 0.008 0.000 2.640 49 E HA 0.154 4.507 4.350 0.006 0.000 0.360 49 E C -2.092 174.517 176.600 0.014 0.000 1.014 49 E CA -0.164 56.241 56.400 0.009 0.000 0.757 49 E CB 1.443 31.148 29.700 0.009 0.000 1.565 49 E HN 0.161 8.456 8.360 0.010 0.070 0.381 50 K N 3.124 123.532 120.400 0.014 0.000 2.090 50 K HA 0.095 4.427 4.320 0.021 0.000 0.250 50 K C -0.143 176.469 176.600 0.020 0.000 1.004 50 K CA -0.473 55.825 56.287 0.018 0.000 0.919 50 K CB 0.783 33.293 32.500 0.016 0.000 1.045 50 K HN 0.160 8.416 8.250 0.010 0.000 0.471 51 K N -0.941 119.475 120.400 0.027 0.000 0.820 51 K HA -0.368 3.974 4.320 0.038 0.000 0.789 51 K C -1.888 174.737 176.600 0.041 0.000 2.208 51 K CA 0.499 56.805 56.287 0.033 0.000 1.494 51 K CB -0.200 32.314 32.500 0.024 0.000 2.681 51 K HN 0.275 8.542 8.250 0.027 0.000 0.276 52 A N -2.285 120.569 122.820 0.056 0.000 3.112 52 A HA -0.353 4.144 4.320 0.097 -0.119 0.660 52 A C -1.350 176.288 177.584 0.090 0.000 0.470 52 A CA 0.531 52.614 52.037 0.077 0.000 0.194 52 A CB 0.353 19.387 19.000 0.056 0.000 3.812 52 A HN 0.245 8.429 8.150 0.057 0.000 0.537 53 K N 0.173 120.642 120.400 0.115 0.000 2.482 53 K HA 0.202 4.588 4.320 0.110 0.000 0.251 53 K C -1.032 175.639 176.600 0.120 0.000 0.936 53 K CA -1.496 54.866 56.287 0.126 0.000 0.791 53 K CB 2.792 35.390 32.500 0.163 0.000 1.213 53 K HN 0.091 8.411 8.250 0.130 0.008 0.428 54 K N 4.226 124.701 120.400 0.126 0.000 2.248 54 K HA 0.375 4.876 4.320 0.078 -0.134 0.281 54 K C -0.683 176.034 176.600 0.196 0.000 1.054 54 K CA -0.827 55.542 56.287 0.137 0.000 0.903 54 K CB 0.144 32.745 32.500 0.169 0.000 1.077 54 K HN 0.432 8.758 8.250 0.126 0.000 0.474 55 V N -1.128 118.801 119.914 0.024 0.000 2.962 55 V HA 0.630 5.068 4.120 0.170 -0.216 0.313 55 V C -2.077 173.720 176.094 -0.495 0.000 1.099 55 V CA -2.637 59.617 62.300 -0.076 0.000 0.971 55 V CB 4.088 35.889 31.823 -0.037 0.000 1.028 55 V HN 0.263 8.400 8.190 -0.089 0.000 0.430 56 R N 1.702 121.799 120.500 -0.672 0.000 2.239 56 R HA 0.363 4.125 4.340 -0.964 0.000 0.332 56 R C -1.295 174.621 176.300 -0.640 0.000 0.988 56 R CA -1.755 53.726 56.100 -1.032 0.000 0.859 56 R CB 1.104 30.351 30.300 -1.755 0.000 1.148 56 R HN 0.755 8.679 8.270 -0.386 0.114 0.482 57 F N 6.517 126.129 119.950 -0.564 0.000 2.420 57 F HA 0.292 4.848 4.527 -0.184 -0.140 0.352 57 F C -0.625 174.897 175.800 -0.463 0.000 1.108 57 F CA -3.157 54.626 58.000 -0.361 0.000 1.162 57 F CB 0.507 39.370 39.000 -0.228 0.000 1.118 57 F HN 0.443 8.441 8.300 -0.504 0.000 0.510 58 Y N 2.104 122.516 120.300 0.186 0.000 2.485 58 Y HA 0.194 4.910 4.550 0.276 0.000 0.345 58 Y C -1.351 174.634 175.900 0.143 0.000 0.998 58 Y CA -1.670 56.535 58.100 0.175 0.000 1.059 58 Y CB 3.076 41.596 38.460 0.100 0.000 1.234 58 Y HN 0.921 9.247 8.280 0.256 0.108 0.461 59 R N 0.417 121.139 120.500 0.371 0.000 2.207 59 R HA 0.067 4.488 4.340 0.135 0.000 0.334 59 R C -0.649 175.806 176.300 0.259 0.000 1.013 59 R CA -0.908 55.318 56.100 0.210 0.000 0.858 59 R CB -0.224 30.133 30.300 0.095 0.000 1.094 59 R HN 0.425 8.999 8.270 0.506 0.000 0.457 60 N N 4.570 123.401 118.700 0.218 0.000 2.217 60 N HA -0.473 4.497 4.740 0.382 0.000 0.268 60 N C 0.705 176.317 175.510 0.169 0.000 1.290 60 N CA 1.327 54.523 53.050 0.244 0.000 0.831 60 N CB 0.369 38.972 38.487 0.194 0.000 1.057 60 N HN -0.406 8.076 8.380 0.170 0.000 0.481 61 G N 5.019 113.903 108.800 0.139 0.000 2.540 61 G HA2 -0.347 3.597 3.960 -0.027 0.000 0.260 61 G HA3 -0.347 3.634 3.960 0.036 0.000 0.260 61 G C -1.638 173.311 174.900 0.083 0.000 0.993 61 G CA 0.546 45.674 45.100 0.047 0.000 1.327 61 G HN 0.039 8.441 8.290 0.188 0.000 0.485 62 D N -1.378 119.081 120.400 0.099 0.000 2.315 62 D HA 0.023 4.892 4.640 0.133 -0.149 0.272 62 D C 0.346 176.776 176.300 0.217 0.000 1.238 62 D CA -0.279 53.824 54.000 0.171 0.000 1.160 62 D CB 0.984 41.953 40.800 0.281 0.000 1.780 62 D HN -0.062 8.328 8.370 0.034 0.000 0.484 63 R N -2.916 117.651 120.500 0.112 0.000 3.847 63 R HA -0.370 3.923 4.340 -0.080 0.000 0.304 63 R C -1.645 174.727 176.300 0.121 0.000 1.203 63 R CA 1.665 57.797 56.100 0.053 0.000 0.835 63 R CB -2.346 27.982 30.300 0.046 0.000 1.253 63 R HN 0.253 8.545 8.270 0.036 0.000 0.516 64 Y N -4.754 115.595 120.300 0.082 0.000 2.855 64 Y HA -0.071 4.518 4.550 0.066 0.000 0.251 64 Y C -0.806 175.197 175.900 0.173 0.000 1.152 64 Y CA 0.249 58.412 58.100 0.105 0.000 1.201 64 Y CB 1.908 40.429 38.460 0.102 0.000 1.392 64 Y HN -0.675 7.754 8.280 0.327 0.048 0.470 65 F N 1.070 121.164 119.950 0.239 0.000 2.472 65 F HA -0.092 4.531 4.527 0.161 0.000 0.364 65 F C 0.475 176.405 175.800 0.218 0.000 1.090 65 F CA 0.523 58.635 58.000 0.186 0.000 1.188 65 F CB 0.778 39.873 39.000 0.158 0.000 1.105 65 F HN -0.093 8.521 8.300 0.524 0.000 0.536 66 K N 5.752 125.969 120.400 -0.306 0.000 2.525 66 K HA -0.015 4.399 4.320 0.158 0.000 0.192 66 K C -0.037 176.410 176.600 -0.255 0.000 1.029 66 K CA 0.226 56.441 56.287 -0.120 0.000 1.029 66 K CB 0.012 32.425 32.500 -0.146 0.000 0.814 66 K HN 0.389 8.356 8.250 -0.471 0.000 0.503 67 G N -1.165 107.188 108.800 -0.746 0.000 2.757 67 G HA2 -0.270 3.793 3.960 0.196 0.000 0.638 67 G HA3 -0.270 3.425 3.960 -0.602 -0.096 0.638 67 G C -2.280 172.343 174.900 -0.462 0.000 1.344 67 G CA -0.604 44.232 45.100 -0.440 0.000 0.855 67 G HN -0.668 6.570 8.290 -1.627 0.075 0.537 68 I N -0.658 119.825 120.570 -0.144 0.000 2.509 68 I HA 0.464 4.558 4.170 -0.126 0.000 0.293 68 I C -1.459 174.566 176.117 -0.153 0.000 1.020 68 I CA -2.362 58.900 61.300 -0.063 0.000 1.088 68 I CB 3.590 41.692 38.000 0.171 0.000 1.267 68 I HN 0.207 8.391 8.210 -0.044 0.000 0.430 69 V N 8.682 128.515 119.914 -0.136 0.000 2.530 69 V HA 0.371 4.470 4.120 -0.387 -0.210 0.282 69 V C -0.711 175.387 176.094 0.006 0.000 1.048 69 V CA 0.091 62.280 62.300 -0.185 0.000 0.997 69 V CB 0.580 32.330 31.823 -0.121 0.000 0.987 69 V HN 0.135 8.270 8.190 -0.092 0.000 0.477 70 Y N 6.678 126.726 120.300 -0.421 0.000 2.524 70 Y HA 0.187 4.668 4.550 -0.115 0.000 0.347 70 Y C -2.015 173.773 175.900 -0.187 0.000 1.005 70 Y CA -0.926 57.006 58.100 -0.280 0.000 1.025 70 Y CB 4.988 43.238 38.460 -0.351 0.000 1.275 70 Y HN 0.256 8.308 8.280 -0.380 0.000 0.460 71 A N 2.791 125.614 122.820 0.006 0.000 2.249 71 A HA 0.690 5.293 4.320 0.061 -0.246 0.314 71 A C -1.350 176.384 177.584 0.250 0.000 1.290 71 A CA -1.684 50.398 52.037 0.075 0.000 0.893 71 A CB 0.985 19.993 19.000 0.013 0.000 1.165 71 A HN 0.257 8.334 8.150 -0.121 0.000 0.530 72 V N 5.733 125.794 119.914 0.244 0.000 2.383 72 V HA 0.200 4.678 4.120 0.596 0.000 0.275 72 V C -1.419 174.833 176.094 0.263 0.000 1.036 72 V CA -0.798 61.712 62.300 0.349 0.000 0.889 72 V CB 0.271 32.258 31.823 0.273 0.000 0.985 72 V HN 0.565 8.752 8.190 0.170 0.105 0.459 73 S N 7.174 123.043 115.700 0.282 0.000 2.550 73 S HA 0.205 4.762 4.470 0.145 0.000 0.270 73 S C -0.128 174.548 174.600 0.126 0.000 1.145 73 S CA -0.893 57.396 58.200 0.149 0.000 0.852 73 S CB 2.987 66.227 63.200 0.067 0.000 1.119 73 S HN -0.097 8.476 8.310 0.438 0.000 0.465 74 S N 1.744 117.498 115.700 0.090 0.000 2.469 74 S HA -0.205 4.514 4.470 0.105 -0.186 0.238 74 S C 1.043 175.651 174.600 0.014 0.000 0.998 74 S CA 2.433 60.674 58.200 0.070 0.000 0.957 74 S CB -0.061 63.172 63.200 0.056 0.000 0.764 74 S HN 0.563 8.924 8.310 0.083 0.000 0.514 75 D N -0.446 119.940 120.400 -0.022 0.000 2.249 75 D HA -0.048 4.562 4.640 -0.049 0.000 0.205 75 D C 0.996 177.199 176.300 -0.160 0.000 0.962 75 D CA 2.019 55.978 54.000 -0.068 0.000 0.860 75 D CB 0.221 40.986 40.800 -0.058 0.000 0.955 75 D HN 0.083 8.394 8.370 -0.005 0.056 0.505 76 R N -2.069 118.269 120.500 -0.271 0.000 2.105 76 R HA 0.080 4.107 4.340 -0.522 0.000 0.214 76 R C 0.358 176.129 176.300 -0.882 0.000 1.091 76 R CA 1.352 57.045 56.100 -0.678 0.000 1.007 76 R CB 1.859 31.579 30.300 -0.966 0.000 0.912 76 R HN -0.738 7.314 8.270 -0.173 0.113 0.450 77 F N -2.942 117.031 119.950 0.039 0.000 2.536 77 F HA 0.251 4.795 4.527 0.029 0.000 0.322 77 F C -0.093 175.731 175.800 0.041 0.000 1.144 77 F CA -1.500 56.523 58.000 0.038 0.000 0.924 77 F CB 1.426 40.452 39.000 0.043 0.000 1.181 77 F HN 0.154 8.391 8.300 -0.104 0.000 0.438 78 R N 3.318 123.920 120.500 0.171 0.000 2.189 78 R HA -0.204 4.192 4.340 0.093 0.000 0.223 78 R C -0.744 175.635 176.300 0.131 0.000 1.092 78 R CA 1.737 57.906 56.100 0.115 0.000 0.989 78 R CB 0.348 30.692 30.300 0.074 0.000 0.876 78 R HN 0.643 9.006 8.270 0.154 0.000 0.457 79 S N -6.880 108.919 115.700 0.166 0.000 2.661 79 S HA 0.008 4.578 4.470 0.166 0.000 0.268 79 S C -0.970 173.732 174.600 0.169 0.000 1.162 79 S CA -1.116 57.178 58.200 0.157 0.000 0.817 79 S CB 0.846 64.112 63.200 0.111 0.000 1.141 79 S HN -1.011 7.380 8.310 0.201 0.039 0.477 80 F N 2.010 121.941 119.950 -0.032 0.000 2.171 80 F HA -0.141 4.306 4.527 -0.134 0.000 0.300 80 F C 1.521 177.243 175.800 -0.129 0.000 1.090 80 F CA 3.847 61.783 58.000 -0.105 0.000 1.293 80 F CB 0.378 39.307 39.000 -0.118 0.000 1.013 80 F HN 0.780 9.256 8.300 0.293 0.000 0.486 81 D N -0.668 119.761 120.400 0.047 0.000 2.117 81 D HA -0.382 4.203 4.640 -0.092 0.000 0.197 81 D C 1.787 178.041 176.300 -0.076 0.000 0.987 81 D CA 3.868 57.843 54.000 -0.041 0.000 0.829 81 D CB 0.069 40.869 40.800 -0.000 0.000 0.961 81 D HN -0.393 8.031 8.370 0.119 0.017 0.460 82 A N -0.479 122.339 122.820 -0.004 0.000 1.930 82 A HA -0.200 4.149 4.320 0.048 0.000 0.217 82 A C 2.109 179.699 177.584 0.011 0.000 1.175 82 A CA 2.838 54.914 52.037 0.065 0.000 0.627 82 A CB -0.534 18.573 19.000 0.178 0.000 0.815 82 A HN -0.748 7.425 8.150 0.038 0.000 0.443 83 L N -0.392 120.687 121.223 -0.240 0.000 2.017 83 L HA -0.340 3.109 4.340 -1.485 0.000 0.208 83 L C 1.780 178.281 176.870 -0.615 0.000 1.073 83 L CA 3.316 57.658 54.840 -0.829 0.000 0.745 83 L CB -0.049 41.445 42.059 -0.941 0.000 0.894 83 L HN -0.302 7.750 8.230 -0.166 0.079 0.432 84 L N -2.488 118.407 121.223 -0.546 0.000 2.127 84 L HA -0.486 3.514 4.340 -0.566 0.000 0.211 84 L C 1.941 178.629 176.870 -0.303 0.000 1.089 84 L CA 3.192 57.746 54.840 -0.477 0.000 0.757 84 L CB -0.854 40.935 42.059 -0.449 0.000 0.899 84 L HN 0.425 8.223 8.230 -0.533 0.112 0.434 85 A N -0.409 122.290 122.820 -0.200 0.000 1.877 85 A HA -0.291 3.957 4.320 -0.121 0.000 0.216 85 A C 2.061 179.605 177.584 -0.066 0.000 1.186 85 A CA 2.884 54.858 52.037 -0.106 0.000 0.620 85 A CB -0.706 18.270 19.000 -0.040 0.000 0.822 85 A HN -0.001 7.820 8.150 -0.193 0.213 0.443 86 D N -1.323 119.065 120.400 -0.020 0.000 2.183 86 D HA -0.168 4.532 4.640 0.100 0.000 0.203 86 D C 2.251 178.527 176.300 -0.040 0.000 0.969 86 D CA 2.539 56.590 54.000 0.086 0.000 0.842 86 D CB -0.041 40.991 40.800 0.387 0.000 0.957 86 D HN -0.451 7.898 8.370 -0.036 0.000 0.484 87 L N -1.364 119.720 121.223 -0.232 0.000 2.083 87 L HA -0.368 3.687 4.340 -0.475 0.000 0.209 87 L C 2.098 178.827 176.870 -0.235 0.000 1.083 87 L CA 3.292 57.917 54.840 -0.358 0.000 0.752 87 L CB -0.360 41.407 42.059 -0.486 0.000 0.899 87 L HN 0.608 8.464 8.230 -0.282 0.205 0.433 88 T N -0.083 114.358 114.554 -0.188 0.000 2.720 88 T HA -0.392 3.864 4.350 -0.156 0.000 0.268 88 T C 2.106 176.751 174.700 -0.092 0.000 1.037 88 T CA 3.983 65.999 62.100 -0.141 0.000 1.144 88 T CB -0.759 68.033 68.868 -0.126 0.000 0.864 88 T HN 0.080 8.190 8.240 -0.197 0.012 0.444 89 R N 0.072 120.538 120.500 -0.056 0.000 2.066 89 R HA -0.185 4.142 4.340 -0.021 0.000 0.232 89 R C 1.993 178.294 176.300 0.002 0.000 1.131 89 R CA 2.545 58.636 56.100 -0.014 0.000 0.955 89 R CB -0.414 29.900 30.300 0.024 0.000 0.851 89 R HN -0.757 7.385 8.270 -0.057 0.094 0.432 90 S N -1.995 113.713 115.700 0.013 0.000 2.395 90 S HA -0.183 4.343 4.470 0.093 0.000 0.225 90 S C 1.467 176.065 174.600 -0.004 0.000 1.027 90 S CA 3.248 61.483 58.200 0.058 0.000 0.965 90 S CB 0.647 63.947 63.200 0.165 0.000 0.812 90 S HN -0.177 8.129 8.310 -0.006 0.000 0.482 91 L N 0.024 121.195 121.223 -0.086 0.000 2.607 91 L HA 0.098 4.394 4.340 -0.074 0.000 0.228 91 L C -0.920 175.870 176.870 -0.132 0.000 1.123 91 L CA -0.942 53.834 54.840 -0.106 0.000 0.890 91 L CB 0.458 42.437 42.059 -0.134 0.000 1.103 91 L HN 0.130 8.161 8.230 -0.127 0.123 0.468 92 S N 0.199 115.837 115.700 -0.103 0.000 2.711 92 S HA -0.292 4.118 4.470 -0.099 0.001 0.320 92 S C -0.751 173.779 174.600 -0.117 0.000 1.240 92 S CA 1.485 59.628 58.200 -0.096 0.000 1.034 92 S CB 0.288 63.448 63.200 -0.065 0.000 0.741 92 S HN -0.593 7.447 8.310 -0.082 0.221 0.496 93 D N 4.098 124.433 120.400 -0.109 0.000 3.236 93 D HA 0.122 4.689 4.640 -0.121 0.000 0.325 93 D C -1.566 174.686 176.300 -0.080 0.000 1.352 93 D CA -0.220 53.711 54.000 -0.115 0.000 0.979 93 D CB 3.197 43.908 40.800 -0.147 0.000 1.410 93 D HN 0.102 8.415 8.370 -0.095 0.000 0.588 94 N N -4.051 114.605 118.700 -0.073 0.000 2.056 94 N HA 0.034 4.845 4.740 -0.046 -0.099 0.291 94 N C 0.172 175.657 175.510 -0.043 0.000 1.096 94 N CA 0.658 53.677 53.050 -0.051 0.000 0.725 94 N CB 1.904 40.364 38.487 -0.046 0.000 1.802 94 N HN 0.073 8.403 8.380 -0.084 0.000 0.682 95 I N -1.196 119.344 120.570 -0.050 0.000 3.081 95 I HA -0.110 4.042 4.170 -0.030 0.000 0.274 95 I C 0.290 176.389 176.117 -0.030 0.000 1.178 95 I CA 1.476 62.752 61.300 -0.040 0.000 1.460 95 I CB 0.387 38.358 38.000 -0.049 0.000 1.137 95 I HN -0.044 8.127 8.210 -0.065 0.000 0.443 96 N N -2.088 116.587 118.700 -0.042 0.000 2.402 96 N HA -0.074 4.669 4.740 0.005 0.000 0.174 96 N C -0.964 174.537 175.510 -0.015 0.000 1.027 96 N CA 0.785 53.823 53.050 -0.019 0.000 0.891 96 N CB 2.139 40.608 38.487 -0.032 0.000 1.016 96 N HN -0.283 8.058 8.380 -0.065 0.000 0.439 97 L N -1.294 119.905 121.223 -0.041 0.000 2.442 97 L HA 0.374 4.702 4.340 -0.021 0.000 0.261 97 L C -2.184 174.662 176.870 -0.041 0.000 1.000 97 L CA -2.974 51.842 54.840 -0.040 0.000 0.882 97 L CB 1.763 43.782 42.059 -0.067 0.000 1.207 97 L HN -0.493 7.702 8.230 -0.059 0.000 0.443 98 P HA -0.208 4.200 4.420 -0.020 0.000 0.212 98 P C 1.330 178.611 177.300 -0.031 0.000 1.174 98 P CA 2.845 65.933 63.100 -0.022 0.000 0.934 98 P CB 0.419 32.114 31.700 -0.009 0.000 0.791 99 Q N -4.458 115.321 119.800 -0.035 0.000 2.373 99 Q HA -0.036 4.280 4.340 -0.040 0.000 0.210 99 Q C 0.333 176.294 176.000 -0.065 0.000 0.913 99 Q CA 0.432 56.208 55.803 -0.045 0.000 0.911 99 Q CB 1.322 30.035 28.738 -0.041 0.000 1.040 99 Q HN 0.131 8.383 8.270 -0.030 0.000 0.521 100 G N -2.923 105.831 108.800 -0.076 0.000 2.369 100 G HA2 -0.114 3.787 3.960 -0.099 0.000 0.295 100 G HA3 -0.114 3.780 3.960 -0.110 0.000 0.295 100 G C -1.998 172.825 174.900 -0.128 0.000 1.298 100 G CA -0.801 44.237 45.100 -0.103 0.000 0.940 100 G HN -0.685 7.567 8.290 -0.063 0.000 0.536 101 V N 0.698 120.510 119.914 -0.170 0.000 2.393 101 V HA -0.284 3.735 4.120 -0.169 0.000 0.257 101 V C -0.875 175.049 176.094 -0.283 0.000 1.040 101 V CA 1.112 63.280 62.300 -0.220 0.000 1.097 101 V CB -1.355 30.288 31.823 -0.299 0.000 1.101 101 V HN 0.339 8.426 8.190 -0.170 0.000 0.479 102 R N 5.603 125.930 120.500 -0.289 0.000 2.146 102 R HA 0.006 4.030 4.340 -0.526 0.000 0.206 102 R C -0.013 175.775 176.300 -0.853 0.000 1.049 102 R CA 0.081 55.839 56.100 -0.570 0.000 1.029 102 R CB 2.133 32.102 30.300 -0.551 0.000 0.949 102 R HN -0.331 7.832 8.270 -0.178 0.000 0.471 103 Y N -4.544 115.705 120.300 -0.085 0.000 2.534 103 Y HA 0.141 4.668 4.550 -0.038 0.000 0.345 103 Y C -1.933 173.921 175.900 -0.076 0.000 1.031 103 Y CA -0.729 57.333 58.100 -0.064 0.000 1.022 103 Y CB 3.522 41.947 38.460 -0.058 0.000 1.292 103 Y HN 0.013 8.256 8.280 -0.062 0.000 0.459 104 I N 0.472 121.105 120.570 0.103 0.000 2.321 104 I HA 0.566 4.897 4.170 -0.047 -0.189 0.291 104 I C -1.104 175.013 176.117 0.000 0.000 0.998 104 I CA -0.736 60.561 61.300 -0.005 0.000 1.227 104 I CB 1.188 39.103 38.000 -0.142 0.000 1.368 104 I HN 0.900 9.279 8.210 0.283 0.000 0.466 105 Y N 8.077 128.445 120.300 0.112 0.000 2.534 105 Y HA 0.422 5.143 4.550 0.070 -0.129 0.329 105 Y C 0.409 176.425 175.900 0.192 0.000 1.154 105 Y CA -1.032 57.127 58.100 0.098 0.000 1.192 105 Y CB 4.175 42.648 38.460 0.022 0.000 1.275 105 Y HN 1.114 9.449 8.280 0.280 0.113 0.491 106 T N -0.130 114.614 114.554 0.316 0.000 2.898 106 T HA 0.057 4.531 4.350 0.207 0.000 0.301 106 T C 1.362 176.077 174.700 0.025 0.000 1.049 106 T CA 0.250 62.444 62.100 0.157 0.000 1.095 106 T CB 0.824 69.738 68.868 0.076 0.000 0.976 106 T HN 0.095 8.563 8.240 0.380 0.000 0.539 107 I N 0.737 121.301 120.570 -0.010 0.000 2.381 107 I HA -0.494 3.658 4.170 -0.028 0.000 0.255 107 I C -0.572 175.627 176.117 0.136 0.000 1.140 107 I CA 2.008 63.322 61.300 0.023 0.000 1.404 107 I CB 0.088 38.106 38.000 0.030 0.000 1.075 107 I HN 0.547 8.719 8.210 -0.064 0.000 0.433 108 D N -4.825 115.559 120.400 -0.027 0.000 2.366 108 D HA -0.097 4.670 4.640 0.210 0.000 0.205 108 D C 0.028 175.855 176.300 -0.787 0.000 1.022 108 D CA -0.263 53.690 54.000 -0.079 0.000 0.868 108 D CB 0.675 41.461 40.800 -0.024 0.000 0.953 108 D HN 0.035 8.330 8.370 -0.052 0.044 0.514 109 G N -1.167 107.039 108.800 -0.990 0.000 2.137 109 G HA2 -0.297 3.136 3.960 -0.928 0.000 0.237 109 G HA3 -0.297 2.038 3.960 -2.709 0.000 0.237 109 G C 0.339 174.923 174.900 -0.527 0.000 1.002 109 G CA 0.443 44.734 45.100 -1.348 0.000 0.702 109 G HN -0.065 7.779 8.290 -0.485 0.156 0.515 110 S N 1.384 116.969 115.700 -0.192 0.000 2.345 110 S HA -0.152 4.278 4.470 -0.068 0.000 0.220 110 S C 0.334 175.008 174.600 0.123 0.000 1.031 110 S CA 2.551 60.730 58.200 -0.036 0.000 0.996 110 S CB 0.505 63.696 63.200 -0.014 0.000 0.882 110 S HN -0.220 7.951 8.310 -0.182 0.031 0.445 111 R N -4.298 116.326 120.500 0.208 0.000 2.739 111 R HA 0.430 4.953 4.340 0.305 0.000 0.271 111 R C -2.460 173.723 176.300 -0.195 0.000 1.010 111 R CA -1.646 54.542 56.100 0.147 0.000 0.897 111 R CB 1.896 32.199 30.300 0.005 0.000 1.236 111 R HN -0.336 8.031 8.270 0.161 0.000 0.466 112 K N 1.774 121.740 120.400 -0.725 0.000 2.130 112 K HA 0.346 4.213 4.320 -0.979 -0.135 0.268 112 K C -0.892 175.444 176.600 -0.439 0.000 0.983 112 K CA -1.062 54.656 56.287 -0.948 0.000 0.893 112 K CB 2.016 33.794 32.500 -1.202 0.000 1.066 112 K HN 0.093 8.043 8.250 -0.500 0.000 0.450 113 I N 3.823 124.169 120.570 -0.372 0.000 2.441 113 I HA 0.009 3.943 4.170 -0.394 0.000 0.287 113 I C 0.046 175.638 176.117 -0.875 0.000 1.049 113 I CA -0.352 60.625 61.300 -0.538 0.000 1.381 113 I CB 0.058 37.699 38.000 -0.600 0.000 1.409 113 I HN 0.727 8.654 8.210 -0.295 0.105 0.523 114 G N 3.347 111.721 108.800 -0.711 0.000 2.781 114 G HA2 0.060 3.701 3.960 -0.532 0.000 0.208 114 G HA3 0.060 3.825 3.960 -0.326 0.000 0.208 114 G C -1.446 173.098 174.900 -0.593 0.000 1.099 114 G CA 0.156 44.911 45.100 -0.575 0.000 0.776 114 G HN 0.303 8.279 8.290 -0.523 0.000 0.532 115 S N -2.582 112.779 115.700 -0.565 0.000 2.536 115 S HA 0.286 4.631 4.470 -0.208 0.000 0.298 115 S C 0.364 174.806 174.600 -0.264 0.000 1.083 115 S CA -1.633 56.384 58.200 -0.306 0.000 0.995 115 S CB 2.861 65.970 63.200 -0.151 0.000 1.058 115 S HN -0.722 7.252 8.310 -0.559 0.000 0.488 116 M N 3.216 122.807 119.600 -0.014 0.000 2.279 116 M HA -0.250 4.368 4.480 0.230 0.000 0.264 116 M C 1.051 177.402 176.300 0.085 0.000 1.062 116 M CA 2.683 58.062 55.300 0.131 0.000 1.099 116 M CB -0.195 32.519 32.600 0.191 0.000 1.394 116 M HN 0.717 9.024 8.290 0.029 0.000 0.426 117 D N -2.521 117.899 120.400 0.034 0.000 2.309 117 D HA -0.198 4.479 4.640 0.063 0.000 0.212 117 D C 1.119 177.446 176.300 0.045 0.000 0.968 117 D CA 2.646 56.670 54.000 0.040 0.000 0.882 117 D CB -0.645 40.165 40.800 0.017 0.000 0.918 117 D HN 0.290 8.629 8.370 0.006 0.035 0.503 118 E N -3.639 116.573 120.200 0.021 0.000 2.442 118 E HA -0.053 4.331 4.350 0.056 0.000 0.195 118 E C -0.207 176.506 176.600 0.188 0.000 1.030 118 E CA 0.169 56.602 56.400 0.055 0.000 0.869 118 E CB 0.779 30.463 29.700 -0.027 0.000 0.857 118 E HN -0.520 7.649 8.360 -0.031 0.173 0.505 119 L N 0.284 121.639 121.223 0.221 0.000 2.315 119 L HA 0.052 4.774 4.340 0.638 0.000 0.283 119 L C -0.472 176.570 176.870 0.287 0.000 1.089 119 L CA -0.231 54.840 54.840 0.385 0.000 0.833 119 L CB -0.456 41.820 42.059 0.362 0.000 1.170 119 L HN -0.543 7.607 8.230 0.152 0.171 0.442 120 E N 2.855 123.220 120.200 0.275 0.000 2.222 120 E HA 0.187 4.629 4.350 0.152 0.000 0.272 120 E C -0.418 176.291 176.600 0.182 0.000 0.982 120 E CA -1.524 54.982 56.400 0.177 0.000 0.842 120 E CB 2.146 31.920 29.700 0.123 0.000 1.144 120 E HN 0.081 8.637 8.360 0.326 0.000 0.397 121 E N -0.266 120.016 120.200 0.137 0.000 2.438 121 E HA -0.345 4.174 4.350 0.155 -0.077 0.261 121 E C 0.878 177.567 176.600 0.147 0.000 1.103 121 E CA 1.193 57.672 56.400 0.132 0.000 0.959 121 E CB 0.366 30.116 29.700 0.082 0.000 0.958 121 E HN 0.279 8.707 8.360 0.112 0.000 0.447 122 G N 1.450 110.363 108.800 0.188 0.000 2.450 122 G HA2 -0.389 3.864 3.960 0.463 0.000 0.302 122 G HA3 -0.389 3.537 3.960 -0.057 0.000 0.302 122 G C -0.230 174.903 174.900 0.388 0.000 0.957 122 G CA 0.972 46.198 45.100 0.210 0.000 1.005 122 G HN 0.022 8.426 8.290 0.189 0.000 0.514 123 E N -0.811 119.636 120.200 0.412 0.000 2.267 123 E HA 0.348 4.830 4.350 0.221 0.000 0.258 123 E C -1.305 175.452 176.600 0.261 0.000 1.074 123 E CA -1.255 55.297 56.400 0.255 0.000 0.915 123 E CB 3.485 33.223 29.700 0.062 0.000 1.186 123 E HN -0.655 7.916 8.360 0.368 0.010 0.439 124 S N 0.462 116.196 115.700 0.057 0.000 2.659 124 S HA 0.579 5.334 4.470 0.177 -0.179 0.312 124 S C -1.485 173.104 174.600 -0.019 0.000 1.114 124 S CA -0.493 57.805 58.200 0.163 0.000 1.063 124 S CB 1.456 64.859 63.200 0.340 0.000 0.996 124 S HN 0.177 8.431 8.310 -0.094 0.000 0.478 125 Y N 3.119 123.632 120.300 0.355 0.000 2.549 125 Y HA 0.336 5.094 4.550 0.186 -0.096 0.339 125 Y C -1.176 174.835 175.900 0.186 0.000 1.053 125 Y CA -1.167 57.083 58.100 0.250 0.000 1.105 125 Y CB 4.205 42.801 38.460 0.227 0.000 1.258 125 Y HN 0.550 9.099 8.280 0.448 0.000 0.478 126 V N -0.470 119.614 119.914 0.283 0.000 2.680 126 V HA 0.739 5.170 4.120 0.137 -0.229 0.309 126 V C -0.798 175.367 176.094 0.120 0.000 1.052 126 V CA -2.120 60.268 62.300 0.146 0.000 0.908 126 V CB 4.287 36.170 31.823 0.099 0.000 1.001 126 V HN 0.624 9.047 8.190 0.388 0.000 0.431 127 C N 7.169 126.510 119.300 0.068 0.000 2.347 127 C HA 0.504 5.052 4.460 -0.062 -0.126 0.353 127 C C -0.562 174.489 174.990 0.101 0.000 1.273 127 C CA -1.111 57.909 59.018 0.003 0.000 1.861 127 C CB -1.162 26.535 27.740 -0.072 0.000 2.420 127 C HN 0.962 9.151 8.230 0.100 0.101 0.542 128 S N 4.658 120.445 115.700 0.144 0.000 2.632 128 S HA 0.435 4.987 4.470 0.136 0.000 0.289 128 S C -1.124 173.591 174.600 0.192 0.000 1.115 128 S CA -0.625 57.693 58.200 0.196 0.000 0.889 128 S CB 3.674 67.087 63.200 0.356 0.000 1.116 128 S HN 1.077 9.355 8.310 0.117 0.102 0.486 129 S N 0.783 116.577 115.700 0.158 0.000 3.369 129 S HA 0.153 4.838 4.470 0.358 0.000 0.251 129 S C -1.510 173.154 174.600 0.106 0.000 1.093 129 S CA 2.237 60.543 58.200 0.177 0.000 0.952 129 S CB 0.477 63.706 63.200 0.047 0.000 0.965 129 S HN 0.264 8.631 8.310 0.094 0.000 0.436 130 D N -1.245 119.146 120.400 -0.016 0.000 2.783 130 D HA 0.203 4.744 4.640 -0.164 0.000 0.306 130 D C -1.273 174.856 176.300 -0.286 0.000 1.633 130 D CA 0.499 54.424 54.000 -0.125 0.000 0.796 130 D CB 0.908 41.684 40.800 -0.040 0.000 1.230 130 D HN -0.041 8.322 8.370 -0.011 0.000 0.441 131 N N -0.764 117.753 118.700 -0.305 0.000 2.752 131 N HA 0.330 4.968 4.740 -0.170 0.000 0.316 131 N C -1.101 173.956 175.510 -0.756 0.000 1.343 131 N CA -0.713 52.156 53.050 -0.302 0.000 0.875 131 N CB 1.323 39.796 38.487 -0.023 0.000 1.120 131 N HN -0.310 7.960 8.380 -0.183 0.000 0.562 132 F N -2.775 117.197 119.950 0.036 0.000 2.790 132 F HA 0.090 4.602 4.527 -0.024 0.000 0.347 132 F C -1.867 173.991 175.800 0.096 0.000 1.252 132 F CA -0.415 57.597 58.000 0.021 0.000 1.109 132 F CB 0.640 39.651 39.000 0.018 0.000 1.205 132 F HN 0.054 8.466 8.300 0.186 0.000 0.510 133 F N 0.296 120.245 119.950 -0.002 0.000 2.089 133 F HA -0.512 4.160 4.527 0.037 -0.122 0.456 133 F C -1.459 174.387 175.800 0.076 0.000 1.218 133 F CA 0.358 58.364 58.000 0.010 0.000 1.470 133 F CB 0.925 39.875 39.000 -0.084 0.000 2.344 133 F HN -0.340 8.055 8.300 0.158 0.000 0.727 134 K N 5.336 125.476 120.400 -0.432 0.000 2.358 134 K HA 0.008 4.243 4.320 -0.141 0.000 0.197 134 K C -1.204 175.108 176.600 -0.480 0.000 1.025 134 K CA -0.996 55.101 56.287 -0.317 0.000 1.104 134 K CB 0.494 32.867 32.500 -0.211 0.000 0.855 134 K HN 0.090 8.126 8.250 -0.594 -0.142 0.531 135 K N -2.975 116.814 120.400 -1.017 0.000 5.387 135 K HA -0.330 3.580 4.320 -0.683 0.000 0.360 135 K C -1.579 174.790 176.600 -0.385 0.000 0.847 135 K CA 0.578 56.538 56.287 -0.546 0.000 1.065 135 K CB -2.489 30.048 32.500 0.061 0.000 1.922 135 K HN -0.191 6.742 8.250 -2.086 0.065 0.376 136 V N -2.242 117.300 119.914 -0.620 0.000 3.182 136 V HA 0.360 4.279 4.120 -0.334 0.000 0.311 136 V C 0.379 176.189 176.094 -0.473 0.000 1.221 136 V CA -3.427 58.540 62.300 -0.556 0.000 1.060 136 V CB 2.172 33.594 31.823 -0.667 0.000 1.164 136 V HN -0.482 7.167 8.190 -0.901 0.000 0.466 137 E N -0.158 119.838 120.200 -0.340 0.000 2.467 137 E HA -0.051 4.228 4.350 -0.119 0.000 0.321 137 E C -0.569 175.906 176.600 -0.208 0.000 1.388 137 E CA -0.007 56.275 56.400 -0.196 0.000 1.508 137 E CB -2.357 27.265 29.700 -0.129 0.000 1.250 137 E HN 0.284 8.456 8.360 -0.315 0.000 0.500 138 Y N -0.509 119.684 120.300 -0.178 0.000 2.256 138 Y HA -0.329 3.965 4.550 -0.427 0.000 0.288 138 Y C 0.646 176.321 175.900 -0.375 0.000 1.155 138 Y CA 2.811 60.680 58.100 -0.385 0.000 1.203 138 Y CB 0.469 38.680 38.460 -0.414 0.000 0.980 138 Y HN -0.052 8.011 8.280 -0.229 0.080 0.530 139 T N -9.387 105.167 114.554 -0.000 0.000 3.594 139 T HA 0.081 4.482 4.350 0.085 0.000 0.315 139 T C -0.243 174.496 174.700 0.065 0.000 0.912 139 T CA 0.058 62.198 62.100 0.067 0.000 0.985 139 T CB 0.038 68.990 68.868 0.141 0.000 1.201 139 T HN -0.438 7.801 8.240 0.033 0.021 0.569 140 K N 0.456 120.872 120.400 0.026 0.000 2.504 140 K HA -0.122 4.218 4.320 0.032 0.000 0.195 140 K C 0.150 176.758 176.600 0.014 0.000 1.036 140 K CA 1.597 57.895 56.287 0.018 0.000 0.984 140 K CB -0.181 32.318 32.500 -0.003 0.000 0.788 140 K HN -0.217 7.920 8.250 0.000 0.113 0.488 141 N N -3.184 115.527 118.700 0.017 0.000 2.073 141 N HA 0.060 4.811 4.740 0.019 0.000 0.227 141 N C -1.619 173.914 175.510 0.038 0.000 1.367 141 N CA 0.245 53.304 53.050 0.016 0.000 0.775 141 N CB 2.589 41.069 38.487 -0.010 0.000 1.234 141 N HN 0.080 8.400 8.380 0.021 0.073 0.512 142 V N 0.633 120.593 119.914 0.076 0.000 2.644 142 V HA 0.039 4.218 4.120 0.099 0.000 0.295 142 V C -1.147 175.045 176.094 0.163 0.000 1.053 142 V CA -0.536 61.842 62.300 0.130 0.000 0.987 142 V CB 0.890 32.830 31.823 0.195 0.000 1.006 142 V HN -0.551 7.566 8.190 0.079 0.120 0.472 143 N N 4.560 123.363 118.700 0.171 0.000 2.405 143 N HA 0.155 4.947 4.740 0.086 0.000 0.260 143 N C -1.225 174.409 175.510 0.207 0.000 1.152 143 N CA -1.861 51.274 53.050 0.142 0.000 0.948 143 N CB 0.290 38.842 38.487 0.108 0.000 1.111 143 N HN 0.106 8.582 8.380 0.160 0.000 0.485 144 P HA 0.158 4.431 4.420 -0.245 0.000 0.258 144 P C -1.094 175.807 177.300 -0.664 0.000 1.403 144 P CA -0.392 62.526 63.100 -0.303 0.000 0.826 144 P CB 0.137 31.723 31.700 -0.191 0.000 1.414 145 N N -2.030 116.482 118.700 -0.314 0.000 2.313 145 N HA -0.018 4.544 4.740 -0.297 0.000 0.207 145 N C 0.002 175.421 175.510 -0.152 0.000 1.141 145 N CA 0.562 53.472 53.050 -0.234 0.000 0.830 145 N CB -0.436 38.003 38.487 -0.081 0.000 1.008 145 N HN 0.172 8.371 8.380 -0.098 0.122 0.481 146 W N -1.774 119.528 121.300 0.003 0.000 2.467 146 W HA -0.018 4.635 4.660 -0.012 0.000 0.275 146 W C 1.101 177.612 176.519 -0.013 0.000 1.239 146 W CA 0.669 58.009 57.345 -0.010 0.000 1.266 146 W CB -0.920 28.530 29.460 -0.018 0.000 1.112 146 W HN -0.166 7.353 8.180 -0.939 0.098 0.576 147 S N 0.218 115.831 115.700 -0.144 0.000 2.470 147 S HA -0.116 4.421 4.470 0.113 0.000 0.225 147 S C 1.078 175.634 174.600 -0.073 0.000 1.006 147 S CA 2.673 60.829 58.200 -0.074 0.000 0.934 147 S CB 0.065 63.108 63.200 -0.262 0.000 0.778 147 S HN -0.456 7.430 8.310 -0.667 0.024 0.517 148 V N -0.960 118.886 119.914 -0.113 0.000 3.499 148 V HA 0.069 4.152 4.120 -0.061 0.000 0.308 148 V C -1.022 175.055 176.094 -0.029 0.000 1.319 148 V CA -0.521 61.735 62.300 -0.073 0.000 1.194 148 V CB -2.032 29.734 31.823 -0.094 0.000 1.072 148 V HN -0.017 7.925 8.190 -0.178 0.140 0.426 149 N N -0.173 118.528 118.700 0.002 0.000 2.471 149 N HA 0.078 4.822 4.740 0.008 0.000 0.270 149 N C -1.567 173.963 175.510 0.033 0.000 1.490 149 N CA 0.094 53.155 53.050 0.019 0.000 0.850 149 N CB 1.713 40.219 38.487 0.031 0.000 1.411 149 N HN -0.552 7.736 8.380 0.014 0.100 0.488 150 V N 0.000 119.932 119.914 0.030 0.000 2.409 150 V HA 0.000 4.140 4.120 0.033 0.000 0.244 150 V CA 0.000 62.318 62.300 0.030 0.000 1.235 150 V CB 0.000 31.848 31.823 0.042 0.000 1.184 150 V HN 0.000 8.202 8.190 0.020 0.000 0.556