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 1djm_1_A DATA FIRST_RESID 1 DATA SEQUENCE MADKELKFLV VDDFSTMRRI VRNLLKELGF NNVEEAEDGV DALNKLQAGG DATA SEQUENCE YGFVISDWNM PNMDGLELLK TIRADGAMSA LPVLMVTAEA KKENIIAAAQ DATA SEQUENCE AGASGYVVKP FTAATLEEKL NKIFEKLGM 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 1 M HA 0.000 4.481 4.480 0.002 0.000 0.227 1 M C 0.000 176.300 176.300 0.000 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.600 32.600 0.000 0.000 1.302 2 A N 2.939 125.758 122.820 -0.002 0.000 3.033 2 A HA 0.170 4.487 4.320 -0.005 0.000 0.250 2 A C -1.193 176.389 177.584 -0.004 0.000 1.633 2 A CA -0.248 51.787 52.037 -0.004 0.000 1.290 2 A CB -1.868 17.129 19.000 -0.005 0.000 1.048 2 A HN 0.140 8.289 8.150 -0.002 0.000 0.648 3 D N 0.391 120.790 120.400 -0.002 0.000 2.451 3 D HA 0.089 4.730 4.640 0.001 0.000 0.259 3 D C 0.620 176.918 176.300 -0.004 0.000 1.201 3 D CA -0.618 53.383 54.000 0.002 0.000 1.028 3 D CB 0.842 41.649 40.800 0.012 0.000 1.095 3 D HN -0.544 7.734 8.370 -0.001 0.092 0.539 4 K N -0.983 119.415 120.400 -0.002 0.000 2.442 4 K HA -0.152 4.154 4.320 -0.024 0.000 0.198 4 K C -0.510 176.079 176.600 -0.018 0.000 1.042 4 K CA 0.435 56.713 56.287 -0.014 0.000 0.958 4 K CB 0.122 32.613 32.500 -0.016 0.000 0.766 4 K HN -0.014 8.241 8.250 0.008 0.000 0.474 5 E N -4.560 115.640 120.200 -0.000 0.000 2.450 5 E HA -0.355 4.010 4.350 0.024 0.000 0.244 5 E C -1.263 175.332 176.600 -0.007 0.000 1.226 5 E CA 0.190 56.590 56.400 0.000 0.000 0.720 5 E CB -0.735 28.953 29.700 -0.020 0.000 1.254 5 E HN -0.173 8.121 8.360 0.011 0.072 0.399 6 L N -0.671 120.567 121.223 0.026 0.000 2.698 6 L HA -0.178 4.109 4.340 -0.087 0.000 0.272 6 L C -0.830 176.052 176.870 0.020 0.000 1.154 6 L CA 0.629 55.463 54.840 -0.010 0.000 0.964 6 L CB -0.071 42.008 42.059 0.034 0.000 1.272 6 L HN -0.415 7.826 8.230 0.050 0.019 0.483 7 K N 7.362 127.677 120.400 -0.141 0.000 2.234 7 K HA 0.137 4.700 4.320 0.075 -0.198 0.282 7 K C -0.524 176.092 176.600 0.028 0.000 1.039 7 K CA -0.775 55.426 56.287 -0.144 0.000 0.928 7 K CB 1.247 33.368 32.500 -0.632 0.000 1.039 7 K HN 0.016 8.116 8.250 -0.250 0.000 0.470 8 F N 4.491 124.538 119.950 0.161 0.000 2.396 8 F HA 0.006 4.780 4.527 0.411 0.000 0.343 8 F C -0.988 175.040 175.800 0.380 0.000 1.104 8 F CA 0.476 58.649 58.000 0.287 0.000 1.161 8 F CB 1.137 40.210 39.000 0.121 0.000 1.146 8 F HN 0.722 9.370 8.300 0.580 0.000 0.522 9 L N 1.467 123.006 121.223 0.526 0.000 2.325 9 L HA 0.356 5.032 4.340 0.346 -0.129 0.278 9 L C -1.715 175.265 176.870 0.184 0.000 1.023 9 L CA -1.052 53.956 54.840 0.281 0.000 0.811 9 L CB 3.411 45.415 42.059 -0.092 0.000 1.249 9 L HN 0.410 8.899 8.230 0.432 0.000 0.431 10 V N 6.556 126.542 119.914 0.121 0.000 2.445 10 V HA 0.400 4.761 4.120 0.059 -0.205 0.283 10 V C -1.508 174.608 176.094 0.036 0.000 1.014 10 V CA -1.259 61.083 62.300 0.070 0.000 0.852 10 V CB 1.082 32.943 31.823 0.063 0.000 1.021 10 V HN 0.622 8.885 8.190 0.122 0.000 0.435 11 V N 8.997 128.920 119.914 0.014 0.000 2.220 11 V HA 0.250 4.379 4.120 0.014 0.000 0.265 11 V C -1.637 174.468 176.094 0.018 0.000 1.078 11 V CA -1.312 60.992 62.300 0.006 0.000 0.872 11 V CB -0.449 31.363 31.823 -0.019 0.000 1.121 11 V HN 0.676 8.870 8.190 0.007 0.000 0.460 12 D N 5.687 126.109 120.400 0.038 0.000 2.432 12 D HA 0.011 4.767 4.640 0.060 -0.080 0.258 12 D C 0.063 176.416 176.300 0.089 0.000 1.146 12 D CA -0.369 53.673 54.000 0.069 0.000 1.015 12 D CB 3.012 43.869 40.800 0.095 0.000 1.107 12 D HN -0.507 7.884 8.370 0.036 0.000 0.529 13 D N 0.077 120.552 120.400 0.125 0.000 2.219 13 D HA -0.195 4.506 4.640 0.100 0.000 0.205 13 D C -0.665 175.766 176.300 0.219 0.000 0.970 13 D CA 2.159 56.243 54.000 0.139 0.000 0.851 13 D CB 0.567 41.445 40.800 0.130 0.000 0.943 13 D HN 0.271 8.722 8.370 0.136 0.000 0.488 14 F N 0.418 120.389 119.950 0.036 0.000 2.553 14 F HA 0.316 4.859 4.527 0.028 0.000 0.335 14 F C -0.170 175.649 175.800 0.033 0.000 1.148 14 F CA -2.409 55.611 58.000 0.033 0.000 0.963 14 F CB 1.779 40.803 39.000 0.039 0.000 1.217 14 F HN -0.196 8.667 8.300 0.303 -0.381 0.441 15 S N 8.816 124.470 115.700 -0.077 0.000 2.374 15 S HA -0.381 4.043 4.470 -0.077 0.000 0.227 15 S C 1.257 175.643 174.600 -0.357 0.000 1.037 15 S CA 3.999 62.099 58.200 -0.168 0.000 1.024 15 S CB -0.857 62.283 63.200 -0.100 0.000 0.861 15 S HN 0.652 9.015 8.310 0.088 0.000 0.456 16 T N 4.691 118.761 114.554 -0.808 0.000 2.737 16 T HA -0.309 3.772 4.350 -0.449 0.000 0.269 16 T C 1.595 176.025 174.700 -0.450 0.000 1.040 16 T CA 4.218 65.858 62.100 -0.767 0.000 1.142 16 T CB -0.374 67.719 68.868 -1.291 0.000 0.861 16 T HN -0.031 7.456 8.240 -1.235 0.012 0.456 17 M N 0.354 119.740 119.600 -0.356 0.000 2.108 17 M HA -0.312 4.198 4.480 0.049 0.000 0.261 17 M C 1.343 177.646 176.300 0.005 0.000 1.066 17 M CA 2.632 57.924 55.300 -0.014 0.000 1.107 17 M CB -0.606 32.081 32.600 0.144 0.000 1.356 17 M HN 0.127 7.977 8.290 -0.517 0.130 0.406 18 R N -1.592 118.881 120.500 -0.045 0.000 2.096 18 R HA -0.380 3.963 4.340 0.006 0.000 0.235 18 R C 2.417 178.691 176.300 -0.043 0.000 1.127 18 R CA 3.642 59.728 56.100 -0.024 0.000 0.968 18 R CB -0.415 29.873 30.300 -0.021 0.000 0.861 18 R HN -0.191 7.914 8.270 -0.097 0.107 0.440 19 R N -0.785 119.665 120.500 -0.084 0.000 2.073 19 R HA -0.270 4.033 4.340 -0.063 0.000 0.234 19 R C 2.674 178.937 176.300 -0.063 0.000 1.134 19 R CA 3.025 59.077 56.100 -0.080 0.000 0.952 19 R CB -0.773 29.462 30.300 -0.107 0.000 0.850 19 R HN -0.487 7.612 8.270 -0.130 0.093 0.433 20 I N 0.449 120.981 120.570 -0.062 0.000 2.099 20 I HA -0.440 3.684 4.170 -0.076 0.000 0.239 20 I C 1.811 177.939 176.117 0.019 0.000 1.066 20 I CA 3.955 65.225 61.300 -0.050 0.000 1.324 20 I CB -0.457 37.486 38.000 -0.094 0.000 1.037 20 I HN 0.313 8.470 8.210 -0.089 0.000 0.401 21 V N -0.462 119.514 119.914 0.103 0.000 2.255 21 V HA -0.582 3.663 4.120 0.208 0.000 0.247 21 V C 2.058 178.127 176.094 -0.041 0.000 1.051 21 V CA 4.681 67.040 62.300 0.099 0.000 1.018 21 V CB -0.909 30.954 31.823 0.067 0.000 0.641 21 V HN 0.280 8.545 8.190 0.125 0.000 0.445 22 R N -0.303 120.155 120.500 -0.069 0.000 2.096 22 R HA -0.479 3.738 4.340 -0.205 0.000 0.240 22 R C 2.112 178.356 176.300 -0.094 0.000 1.139 22 R CA 3.985 60.014 56.100 -0.117 0.000 0.952 22 R CB -0.313 29.942 30.300 -0.075 0.000 0.854 22 R HN 0.169 8.415 8.270 -0.040 0.000 0.436 23 N N -1.065 117.601 118.700 -0.058 0.000 2.084 23 N HA -0.228 4.486 4.740 -0.043 0.000 0.190 23 N C 2.335 177.825 175.510 -0.034 0.000 1.030 23 N CA 3.200 56.223 53.050 -0.045 0.000 0.849 23 N CB -0.073 38.388 38.487 -0.045 0.000 1.012 23 N HN 0.016 8.258 8.380 -0.051 0.107 0.423 24 L N -0.406 120.804 121.223 -0.023 0.000 2.046 24 L HA -0.402 3.938 4.340 0.000 0.000 0.208 24 L C 2.080 178.952 176.870 0.003 0.000 1.077 24 L CA 3.402 58.243 54.840 0.002 0.000 0.747 24 L CB -0.243 41.844 42.059 0.047 0.000 0.896 24 L HN 0.243 8.461 8.230 -0.019 0.000 0.432 25 L N -1.903 119.287 121.223 -0.054 0.000 2.083 25 L HA -0.485 3.877 4.340 0.038 0.000 0.209 25 L C 2.052 178.957 176.870 0.058 0.000 1.083 25 L CA 3.649 58.452 54.840 -0.063 0.000 0.752 25 L CB -0.676 41.127 42.059 -0.426 0.000 0.899 25 L HN 0.567 8.744 8.230 -0.088 0.000 0.433 26 K N -0.605 119.790 120.400 -0.009 0.000 2.103 26 K HA -0.187 4.299 4.320 0.025 -0.151 0.204 26 K C 2.820 179.425 176.600 0.008 0.000 1.052 26 K CA 2.210 58.500 56.287 0.005 0.000 0.945 26 K CB -0.519 31.971 32.500 -0.018 0.000 0.722 26 K HN -0.060 8.068 8.250 -0.050 0.092 0.443 27 E N -1.319 118.886 120.200 0.008 0.000 2.077 27 E HA -0.251 4.098 4.350 -0.001 0.000 0.193 27 E C 2.378 178.989 176.600 0.018 0.000 0.989 27 E CA 1.896 58.300 56.400 0.008 0.000 0.800 27 E CB -0.282 29.422 29.700 0.006 0.000 0.746 27 E HN -0.081 8.097 8.360 0.002 0.183 0.452 28 L N -3.452 117.802 121.223 0.051 0.000 1.976 28 L HA -0.304 4.064 4.340 0.046 0.000 0.209 28 L C 1.721 178.574 176.870 -0.029 0.000 1.071 28 L CA 2.082 56.960 54.840 0.064 0.000 0.746 28 L CB 0.559 42.735 42.059 0.195 0.000 0.890 28 L HN -0.093 8.177 8.230 0.067 0.000 0.432 29 G N -5.361 103.402 108.800 -0.061 0.000 4.106 29 G HA2 -0.109 3.798 3.960 -0.087 0.000 0.220 29 G HA3 -0.109 3.703 3.960 -0.246 0.000 0.220 29 G C -0.311 174.463 174.900 -0.211 0.000 0.853 29 G CA -0.488 44.511 45.100 -0.169 0.000 0.920 29 G HN -0.289 7.929 8.290 0.064 0.110 0.715 30 F N 1.393 121.339 119.950 -0.008 0.000 2.368 30 F HA 0.180 4.770 4.527 0.105 0.000 0.308 30 F C -1.263 174.521 175.800 -0.026 0.000 1.198 30 F CA 0.120 58.129 58.000 0.014 0.000 1.130 30 F CB 1.510 40.463 39.000 -0.078 0.000 1.300 30 F HN -0.214 8.119 8.300 0.216 0.097 0.537 31 N N -1.015 117.841 118.700 0.259 0.000 3.157 31 N HA -0.055 4.727 4.740 0.071 0.000 0.291 31 N C -1.467 174.162 175.510 0.198 0.000 1.515 31 N CA 0.135 53.270 53.050 0.143 0.000 0.807 31 N CB 2.891 41.438 38.487 0.101 0.000 1.672 31 N HN 0.077 8.722 8.380 0.442 0.000 0.592 32 N N -2.351 116.430 118.700 0.135 0.000 2.531 32 N HA -0.191 4.603 4.740 0.090 0.000 0.279 32 N C -1.984 173.648 175.510 0.203 0.000 1.267 32 N CA 0.187 53.323 53.050 0.143 0.000 0.663 32 N CB -0.395 38.170 38.487 0.131 0.000 0.886 32 N HN 0.185 8.617 8.380 0.086 0.000 0.544 33 V N -4.425 115.569 119.914 0.132 0.000 3.019 33 V HA 0.950 5.421 4.120 0.302 -0.170 0.317 33 V C -0.992 175.196 176.094 0.157 0.000 1.094 33 V CA -1.884 60.517 62.300 0.168 0.000 1.000 33 V CB 3.700 35.555 31.823 0.053 0.000 1.060 33 V HN -0.344 7.896 8.190 0.083 0.000 0.443 34 E N 0.554 120.883 120.200 0.215 0.000 2.456 34 E HA 0.390 4.817 4.350 0.127 0.000 0.276 34 E C -2.128 174.559 176.600 0.144 0.000 0.981 34 E CA -2.117 54.395 56.400 0.187 0.000 0.814 34 E CB 4.693 34.562 29.700 0.283 0.000 1.382 34 E HN 0.252 8.780 8.360 0.279 0.000 0.459 35 E N -0.719 119.539 120.200 0.097 0.000 2.339 35 E HA 0.820 5.441 4.350 0.053 -0.239 0.262 35 E C -1.839 174.785 176.600 0.039 0.000 0.934 35 E CA -2.520 53.914 56.400 0.056 0.000 0.802 35 E CB 3.882 33.603 29.700 0.036 0.000 1.275 35 E HN 0.225 8.644 8.360 0.098 0.000 0.427 36 A N -0.641 122.188 122.820 0.015 0.000 2.564 36 A HA 0.541 4.934 4.320 0.007 -0.069 0.288 36 A C -0.379 177.206 177.584 0.003 0.000 1.164 36 A CA -1.453 50.584 52.037 -0.001 0.000 0.712 36 A CB 3.205 22.186 19.000 -0.033 0.000 1.303 36 A HN 0.410 8.569 8.150 0.015 0.000 0.418 37 E N -1.416 118.784 120.200 -0.001 0.000 2.107 37 E HA -0.138 4.219 4.350 0.012 0.000 0.191 37 E C -0.509 176.092 176.600 0.001 0.000 0.982 37 E CA 2.404 58.806 56.400 0.004 0.000 0.809 37 E CB 0.934 30.635 29.700 0.002 0.000 0.756 37 E HN 0.198 8.920 8.360 -0.005 -0.365 0.459 38 D N -7.114 113.278 120.400 -0.013 0.000 2.804 38 D HA -0.041 4.591 4.640 -0.014 0.000 0.309 38 D C 0.159 176.436 176.300 -0.039 0.000 1.311 38 D CA -0.646 53.342 54.000 -0.020 0.000 0.765 38 D CB 0.672 41.461 40.800 -0.019 0.000 1.293 38 D HN -0.799 7.559 8.370 -0.020 0.000 0.434 39 G N -1.884 106.885 108.800 -0.052 0.000 2.547 39 G HA2 -0.392 3.524 3.960 -0.074 0.000 0.221 39 G HA3 -0.392 3.696 3.960 -0.078 -0.175 0.221 39 G C 1.120 175.982 174.900 -0.063 0.000 1.140 39 G CA 2.481 47.540 45.100 -0.068 0.000 0.760 39 G HN 0.568 8.828 8.290 -0.051 0.000 0.583 40 V N 1.233 121.116 119.914 -0.051 0.000 2.295 40 V HA -0.385 3.707 4.120 -0.047 0.000 0.246 40 V C 1.677 177.745 176.094 -0.044 0.000 1.049 40 V CA 4.083 66.357 62.300 -0.044 0.000 1.024 40 V CB -0.113 31.689 31.823 -0.034 0.000 0.648 40 V HN -0.439 8.214 8.190 -0.046 -0.491 0.447 41 D N -1.083 119.293 120.400 -0.040 0.000 2.144 41 D HA -0.236 4.384 4.640 -0.033 0.000 0.200 41 D C 1.736 177.998 176.300 -0.064 0.000 0.978 41 D CA 2.799 56.775 54.000 -0.040 0.000 0.833 41 D CB 0.033 40.817 40.800 -0.026 0.000 0.961 41 D HN -0.817 7.719 8.370 -0.036 -0.188 0.470 42 A N -0.025 122.748 122.820 -0.079 0.000 1.865 42 A HA -0.266 3.970 4.320 -0.140 0.000 0.217 42 A C 2.045 179.539 177.584 -0.150 0.000 1.191 42 A CA 3.151 55.116 52.037 -0.120 0.000 0.623 42 A CB -0.630 18.308 19.000 -0.103 0.000 0.826 42 A HN 0.319 8.241 8.150 -0.065 0.189 0.444 43 L N -1.743 119.415 121.223 -0.109 0.000 2.042 43 L HA -0.392 3.880 4.340 -0.114 0.000 0.210 43 L C 1.709 178.523 176.870 -0.094 0.000 1.076 43 L CA 3.756 58.536 54.840 -0.100 0.000 0.749 43 L CB -0.050 41.966 42.059 -0.072 0.000 0.893 43 L HN -0.064 8.112 8.230 -0.089 0.000 0.432 44 N N -2.599 116.057 118.700 -0.074 0.000 2.396 44 N HA -0.207 4.509 4.740 -0.039 0.000 0.180 44 N C 1.538 177.015 175.510 -0.055 0.000 1.028 44 N CA 2.182 55.202 53.050 -0.050 0.000 0.893 44 N CB -0.038 38.429 38.487 -0.033 0.000 0.967 44 N HN -0.626 7.704 8.380 -0.070 0.008 0.440 45 K N -1.442 118.893 120.400 -0.109 0.000 2.057 45 K HA -0.264 4.046 4.320 -0.017 0.000 0.206 45 K C 2.338 178.784 176.600 -0.256 0.000 1.050 45 K CA 2.451 58.644 56.287 -0.156 0.000 0.935 45 K CB -0.036 32.303 32.500 -0.269 0.000 0.715 45 K HN -0.178 7.869 8.250 -0.125 0.128 0.439 46 L N -1.279 119.747 121.223 -0.327 0.000 2.012 46 L HA -0.419 3.754 4.340 -0.278 0.000 0.210 46 L C 1.901 178.779 176.870 0.014 0.000 1.073 46 L CA 3.200 57.922 54.840 -0.196 0.000 0.748 46 L CB -0.715 41.255 42.059 -0.149 0.000 0.891 46 L HN 0.013 7.986 8.230 -0.294 0.081 0.431 47 Q N -3.340 116.454 119.800 -0.011 0.000 2.491 47 Q HA -0.196 4.159 4.340 0.026 0.000 0.214 47 Q C 0.820 176.848 176.000 0.047 0.000 0.970 47 Q CA 1.094 56.907 55.803 0.017 0.000 0.960 47 Q CB -0.607 28.129 28.738 -0.005 0.000 0.996 47 Q HN -0.212 8.026 8.270 -0.053 0.000 0.524 48 A N -1.871 121.006 122.820 0.095 0.000 2.235 48 A HA -0.039 4.326 4.320 0.076 0.000 0.208 48 A C -0.209 177.442 177.584 0.111 0.000 1.172 48 A CA 0.564 52.672 52.037 0.119 0.000 0.786 48 A CB 0.215 19.329 19.000 0.190 0.000 0.804 48 A HN 0.091 8.092 8.150 0.115 0.219 0.479 49 G N -1.560 107.309 108.800 0.115 0.000 3.118 49 G HA2 -0.071 3.914 3.960 0.042 0.000 0.105 49 G HA3 -0.071 3.918 3.960 0.048 0.000 0.105 49 G C -1.397 173.546 174.900 0.072 0.000 1.918 49 G CA 0.935 46.075 45.100 0.068 0.000 1.038 49 G HN -0.328 7.977 8.290 0.130 0.063 0.293 50 G N 0.738 109.597 108.800 0.099 0.000 2.880 50 G HA2 0.094 4.106 3.960 0.087 0.000 0.303 50 G HA3 0.094 4.065 3.960 0.018 0.000 0.303 50 G C -0.945 173.998 174.900 0.071 0.000 2.853 50 G CA -0.089 45.055 45.100 0.072 0.000 0.748 50 G HN -0.251 8.106 8.290 0.111 0.000 0.349 51 Y N 2.588 122.845 120.300 -0.071 0.000 2.258 51 Y HA -0.171 4.338 4.550 -0.068 0.000 0.345 51 Y C 0.009 175.795 175.900 -0.190 0.000 1.303 51 Y CA 0.742 58.786 58.100 -0.093 0.000 1.537 51 Y CB 0.867 39.291 38.460 -0.060 0.000 1.383 51 Y HN -0.102 8.372 8.280 0.323 0.000 0.606 52 G N -1.372 107.336 108.800 -0.154 0.000 2.673 52 G HA2 0.174 3.846 3.960 -0.481 0.000 0.208 52 G HA3 0.174 3.737 3.960 -0.662 0.000 0.208 52 G C -1.189 173.157 174.900 -0.924 0.000 1.128 52 G CA 0.175 44.947 45.100 -0.548 0.000 0.805 52 G HN 0.438 8.675 8.290 -0.088 0.000 0.526 53 F N -2.815 116.993 119.950 -0.236 0.000 2.619 53 F HA 0.363 4.916 4.527 -0.144 -0.113 0.308 53 F C -1.894 173.874 175.800 -0.054 0.000 1.097 53 F CA -1.017 56.864 58.000 -0.198 0.000 0.953 53 F CB 4.203 42.980 39.000 -0.371 0.000 1.287 53 F HN -0.895 7.382 8.300 -0.039 0.000 0.446 54 V N 1.395 121.392 119.914 0.137 0.000 2.315 54 V HA 0.276 4.414 4.120 0.030 0.000 0.265 54 V C -1.699 174.425 176.094 0.050 0.000 1.019 54 V CA -0.419 61.910 62.300 0.047 0.000 0.824 54 V CB -0.411 31.400 31.823 -0.019 0.000 1.072 54 V HN 0.606 8.879 8.190 0.137 0.000 0.448 55 I N 8.891 129.504 120.570 0.071 0.000 2.365 55 I HA 0.472 4.853 4.170 -0.002 -0.212 0.291 55 I C -0.975 175.135 176.117 -0.011 0.000 1.004 55 I CA -0.302 61.011 61.300 0.021 0.000 1.311 55 I CB 1.384 39.404 38.000 0.034 0.000 1.401 55 I HN 0.816 8.990 8.210 0.110 0.101 0.491 56 S N 6.304 121.979 115.700 -0.043 0.000 2.618 56 S HA 0.714 5.347 4.470 -0.017 -0.173 0.277 56 S C -0.752 173.830 174.600 -0.031 0.000 1.138 56 S CA -1.893 56.288 58.200 -0.031 0.000 0.844 56 S CB 3.005 66.185 63.200 -0.033 0.000 1.127 56 S HN 0.476 8.745 8.310 -0.069 0.000 0.474 57 D N 0.413 120.821 120.400 0.013 0.000 2.249 57 D HA -0.035 4.639 4.640 0.057 0.000 0.269 57 D C -0.403 175.977 176.300 0.133 0.000 1.220 57 D CA 0.402 54.446 54.000 0.073 0.000 1.016 57 D CB 1.292 42.152 40.800 0.100 0.000 1.133 57 D HN 0.410 8.788 8.370 0.014 0.000 0.533 58 W N -1.556 119.737 121.300 -0.012 0.000 3.336 58 W HA 0.122 4.793 4.660 0.019 0.000 0.221 58 W C -1.070 175.464 176.519 0.025 0.000 1.086 58 W CA 0.843 58.200 57.345 0.019 0.000 1.457 58 W CB 2.730 32.224 29.460 0.057 0.000 0.756 58 W HN 0.248 8.576 8.180 0.246 0.000 0.783 59 N N -0.818 117.960 118.700 0.129 0.000 2.401 59 N HA 0.074 4.851 4.740 0.061 0.000 0.264 59 N C -1.070 174.462 175.510 0.036 0.000 1.238 59 N CA -1.054 52.062 53.050 0.110 0.000 0.889 59 N CB 0.223 38.836 38.487 0.210 0.000 1.196 59 N HN 0.019 8.885 8.380 0.164 -0.387 0.511 60 M N 0.844 120.435 119.600 -0.014 0.000 2.216 60 M HA -0.156 4.327 4.480 0.005 0.000 0.317 60 M C -1.070 175.221 176.300 -0.014 0.000 1.015 60 M CA -0.343 54.946 55.300 -0.017 0.000 1.045 60 M CB -0.353 32.216 32.600 -0.051 0.000 1.538 60 M HN -0.362 7.857 8.290 -0.045 0.044 0.440 61 P HA -0.058 4.363 4.420 0.002 0.000 0.221 61 P C -0.982 176.309 177.300 -0.015 0.000 1.150 61 P CA 1.054 64.151 63.100 -0.004 0.000 0.800 61 P CB 0.635 32.336 31.700 0.003 0.000 0.787 62 N N -3.067 115.618 118.700 -0.026 0.000 2.690 62 N HA 0.094 4.818 4.740 -0.028 0.000 0.187 62 N C -1.437 174.042 175.510 -0.052 0.000 1.295 62 N CA -0.600 52.431 53.050 -0.033 0.000 1.100 62 N CB 1.877 40.348 38.487 -0.028 0.000 1.336 62 N HN -0.732 7.608 8.380 -0.028 0.024 0.458 63 M N 3.461 123.025 119.600 -0.061 0.000 2.266 63 M HA -0.011 4.419 4.480 -0.083 0.000 0.340 63 M C -1.226 175.002 176.300 -0.120 0.000 1.486 63 M CA -0.083 55.167 55.300 -0.084 0.000 1.209 63 M CB 0.378 32.933 32.600 -0.076 0.000 1.714 63 M HN -0.587 7.851 8.290 -0.052 -0.179 0.459 64 D N 4.738 125.042 120.400 -0.161 0.000 2.362 64 D HA -0.174 4.333 4.640 -0.222 0.000 0.238 64 D C 0.717 176.811 176.300 -0.344 0.000 1.212 64 D CA 0.156 53.997 54.000 -0.264 0.000 0.902 64 D CB 1.049 41.657 40.800 -0.320 0.000 1.180 64 D HN -0.250 8.036 8.370 -0.140 0.000 0.445 65 G N -1.254 107.252 108.800 -0.491 0.000 2.443 65 G HA2 -0.233 3.591 3.960 -0.227 0.000 0.219 65 G HA3 -0.233 3.682 3.960 -0.342 -0.160 0.219 65 G C 1.487 176.132 174.900 -0.425 0.000 1.131 65 G CA 1.692 46.561 45.100 -0.386 0.000 0.775 65 G HN 0.234 8.049 8.290 -0.583 0.125 0.547 66 L N 0.764 121.573 121.223 -0.690 0.000 2.179 66 L HA -0.026 4.149 4.340 -0.276 0.000 0.208 66 L C 1.267 178.000 176.870 -0.228 0.000 1.096 66 L CA 2.440 57.013 54.840 -0.444 0.000 0.779 66 L CB -0.381 41.350 42.059 -0.547 0.000 0.922 66 L HN 0.348 8.321 8.230 -0.933 -0.303 0.443 67 E N -0.193 119.869 120.200 -0.231 0.000 2.107 67 E HA -0.286 4.000 4.350 -0.107 0.000 0.191 67 E C 2.575 179.106 176.600 -0.115 0.000 0.982 67 E CA 3.190 59.506 56.400 -0.141 0.000 0.809 67 E CB -0.371 29.250 29.700 -0.132 0.000 0.756 67 E HN -0.675 7.584 8.360 -0.312 -0.086 0.459 68 L N 0.984 122.127 121.223 -0.134 0.000 1.989 68 L HA -0.261 4.027 4.340 -0.088 0.000 0.211 68 L C 1.653 178.475 176.870 -0.079 0.000 1.071 68 L CA 3.133 57.911 54.840 -0.102 0.000 0.749 68 L CB -0.346 41.648 42.059 -0.108 0.000 0.890 68 L HN 0.267 8.391 8.230 -0.178 0.000 0.431 69 L N -0.770 120.406 121.223 -0.078 0.000 1.956 69 L HA -0.452 3.871 4.340 -0.029 0.000 0.216 69 L C 1.470 178.319 176.870 -0.034 0.000 1.073 69 L CA 3.572 58.389 54.840 -0.040 0.000 0.762 69 L CB -0.761 41.290 42.059 -0.012 0.000 0.889 69 L HN -0.144 8.019 8.230 -0.111 0.000 0.433 70 K N -4.268 116.107 120.400 -0.041 0.000 2.209 70 K HA -0.323 3.987 4.320 -0.015 0.000 0.204 70 K C 1.280 177.861 176.600 -0.031 0.000 1.048 70 K CA 2.834 59.103 56.287 -0.029 0.000 0.940 70 K CB -0.382 32.100 32.500 -0.030 0.000 0.729 70 K HN 0.135 8.234 8.250 -0.061 0.115 0.451 71 T N -0.765 113.764 114.554 -0.042 0.000 2.737 71 T HA -0.221 4.109 4.350 -0.033 0.000 0.265 71 T C 2.292 176.971 174.700 -0.034 0.000 1.038 71 T CA 3.712 65.789 62.100 -0.039 0.000 1.144 71 T CB 0.198 69.038 68.868 -0.047 0.000 0.866 71 T HN -0.375 7.732 8.240 -0.053 0.101 0.434 72 I N 2.844 123.392 120.570 -0.036 0.000 2.226 72 I HA -0.452 3.697 4.170 -0.033 0.000 0.245 72 I C 1.638 177.742 176.117 -0.022 0.000 1.100 72 I CA 4.098 65.379 61.300 -0.031 0.000 1.374 72 I CB -0.209 37.770 38.000 -0.035 0.000 1.057 72 I HN 0.006 8.191 8.210 -0.042 0.000 0.413 73 R N -1.432 119.058 120.500 -0.016 0.000 2.357 73 R HA -0.148 4.285 4.340 -0.007 -0.097 0.202 73 R C 0.739 177.033 176.300 -0.010 0.000 1.047 73 R CA 0.390 56.484 56.100 -0.009 0.000 1.034 73 R CB -1.321 28.978 30.300 -0.002 0.000 0.875 73 R HN 0.282 8.427 8.270 -0.019 0.113 0.473 74 A N -1.710 121.101 122.820 -0.015 0.000 2.172 74 A HA -0.159 4.155 4.320 -0.011 0.000 0.216 74 A C -0.449 177.129 177.584 -0.011 0.000 1.154 74 A CA 0.391 52.420 52.037 -0.013 0.000 0.701 74 A CB 0.202 19.192 19.000 -0.017 0.000 0.789 74 A HN -0.362 7.569 8.150 -0.019 0.208 0.465 75 D N -3.150 117.243 120.400 -0.011 0.000 5.377 75 D HA -0.347 4.286 4.640 -0.011 0.000 0.315 75 D C 1.610 177.904 176.300 -0.011 0.000 2.498 75 D CA 1.723 55.717 54.000 -0.010 0.000 1.245 75 D CB -0.496 40.300 40.800 -0.007 0.000 1.150 75 D HN -0.799 7.503 8.370 -0.013 0.060 1.307 76 G N -2.476 106.319 108.800 -0.010 0.000 2.435 76 G HA2 -0.419 3.536 3.960 -0.008 0.000 0.245 76 G HA3 -0.419 3.536 3.960 -0.009 0.000 0.245 76 G C -0.867 174.026 174.900 -0.011 0.000 1.073 76 G CA 1.154 46.249 45.100 -0.009 0.000 0.638 76 G HN 0.269 8.554 8.290 -0.009 0.000 0.521 77 A N 0.376 123.188 122.820 -0.013 0.000 1.922 77 A HA 0.305 4.618 4.320 -0.013 0.000 0.192 77 A C 0.765 178.339 177.584 -0.017 0.000 2.007 77 A CA 0.637 52.666 52.037 -0.014 0.000 1.054 77 A CB 0.670 19.662 19.000 -0.013 0.000 1.106 77 A HN -0.190 7.822 8.150 -0.013 0.130 0.639 78 M N -0.678 118.910 119.600 -0.019 0.000 2.556 78 M HA 0.043 4.508 4.480 -0.024 0.000 0.245 78 M C 0.200 176.485 176.300 -0.025 0.000 1.128 78 M CA 0.539 55.824 55.300 -0.024 0.000 1.069 78 M CB -0.024 32.559 32.600 -0.029 0.000 1.469 78 M HN 0.383 8.662 8.290 -0.019 0.000 0.494 79 S N 2.096 117.784 115.700 -0.020 0.000 2.406 79 S HA -0.366 4.097 4.470 -0.013 0.000 0.242 79 S C 1.591 176.180 174.600 -0.019 0.000 1.079 79 S CA 3.242 61.433 58.200 -0.016 0.000 1.133 79 S CB -1.037 62.156 63.200 -0.012 0.000 1.005 79 S HN 0.104 8.347 8.310 -0.018 0.056 0.443 80 A N 0.922 123.726 122.820 -0.026 0.000 2.125 80 A HA -0.105 4.199 4.320 -0.026 0.000 0.219 80 A C -0.017 177.535 177.584 -0.054 0.000 1.156 80 A CA 0.902 52.917 52.037 -0.035 0.000 0.671 80 A CB 0.016 18.991 19.000 -0.042 0.000 0.794 80 A HN -0.002 8.133 8.150 -0.026 0.000 0.459 81 L N 0.824 122.015 121.223 -0.054 0.000 2.477 81 L HA 0.095 4.365 4.340 -0.116 0.000 0.272 81 L C -1.809 175.035 176.870 -0.044 0.000 1.157 81 L CA -1.970 52.828 54.840 -0.070 0.000 0.889 81 L CB 0.450 42.478 42.059 -0.053 0.000 1.158 81 L HN -0.386 7.648 8.230 -0.041 0.171 0.473 82 P HA 0.052 4.491 4.420 0.030 0.000 0.274 82 P C -1.214 176.118 177.300 0.053 0.000 1.291 82 P CA -0.840 62.277 63.100 0.027 0.000 0.815 82 P CB -0.579 31.172 31.700 0.086 0.000 0.897 83 V N 2.718 122.655 119.914 0.037 0.000 2.530 83 V HA 0.416 4.756 4.120 0.036 -0.198 0.282 83 V C -1.203 174.918 176.094 0.045 0.000 1.048 83 V CA -1.063 61.258 62.300 0.035 0.000 0.997 83 V CB 1.074 32.907 31.823 0.017 0.000 0.987 83 V HN -0.128 8.080 8.190 0.031 0.000 0.477 84 L N 8.946 130.183 121.223 0.024 0.000 2.415 84 L HA 0.540 5.010 4.340 -0.004 -0.132 0.268 84 L C -1.722 175.090 176.870 -0.097 0.000 0.984 84 L CA -1.271 53.557 54.840 -0.019 0.000 0.853 84 L CB 2.958 45.009 42.059 -0.015 0.000 1.215 84 L HN 0.625 8.768 8.230 0.021 0.100 0.419 85 M N 7.491 127.000 119.600 -0.152 0.000 2.143 85 M HA 0.230 4.764 4.480 -0.180 -0.162 0.348 85 M C -1.091 174.918 176.300 -0.485 0.000 1.375 85 M CA 0.465 55.581 55.300 -0.306 0.000 1.124 85 M CB 0.072 32.440 32.600 -0.387 0.000 1.669 85 M HN 0.472 8.705 8.290 -0.095 0.000 0.469 86 V N 6.315 126.004 119.914 -0.376 0.000 2.419 86 V HA 0.452 4.418 4.120 -0.540 -0.171 0.287 86 V C -1.135 174.798 176.094 -0.268 0.000 1.017 86 V CA -0.910 61.122 62.300 -0.447 0.000 0.844 86 V CB 1.152 32.664 31.823 -0.518 0.000 1.011 86 V HN 0.798 8.728 8.190 -0.252 0.109 0.429 87 T N 5.324 119.754 114.554 -0.206 0.000 2.787 87 T HA 0.514 4.887 4.350 0.038 0.000 0.297 87 T C -1.129 173.615 174.700 0.073 0.000 1.221 87 T CA -2.641 59.444 62.100 -0.025 0.000 1.006 87 T CB 3.004 71.856 68.868 -0.026 0.000 1.328 87 T HN 0.232 8.305 8.240 -0.280 0.000 0.509 88 A N 0.826 123.712 122.820 0.109 0.000 2.169 88 A HA 0.131 4.530 4.320 0.131 0.000 0.212 88 A C -0.268 177.358 177.584 0.069 0.000 1.153 88 A CA 0.876 52.975 52.037 0.104 0.000 0.756 88 A CB 0.234 19.284 19.000 0.085 0.000 0.813 88 A HN 0.640 8.858 8.150 0.113 0.000 0.471 89 E N -0.259 119.976 120.200 0.058 0.000 2.052 89 E HA 0.049 4.398 4.350 -0.001 0.000 0.283 89 E C -0.810 175.798 176.600 0.013 0.000 1.071 89 E CA -0.448 55.958 56.400 0.009 0.000 0.851 89 E CB -0.523 29.153 29.700 -0.040 0.000 1.066 89 E HN -0.786 7.560 8.360 0.069 0.055 0.396 90 A N 3.796 126.606 122.820 -0.016 0.000 2.275 90 A HA 0.098 4.420 4.320 0.003 0.000 0.212 90 A C -0.463 177.045 177.584 -0.126 0.000 1.201 90 A CA -0.326 51.688 52.037 -0.038 0.000 0.843 90 A CB 0.605 19.595 19.000 -0.017 0.000 0.873 90 A HN 0.367 8.506 8.150 -0.018 0.000 0.492 91 K N 0.265 120.560 120.400 -0.175 0.000 2.466 91 K HA -0.206 4.037 4.320 -0.129 0.000 0.278 91 K C 0.746 177.195 176.600 -0.251 0.000 1.048 91 K CA 0.571 56.744 56.287 -0.190 0.000 1.088 91 K CB 0.336 32.725 32.500 -0.186 0.000 0.884 91 K HN -0.356 7.729 8.250 -0.167 0.064 0.478 92 K N 6.652 126.944 120.400 -0.180 0.000 2.063 92 K HA -0.418 3.768 4.320 -0.223 0.000 0.208 92 K C 1.767 178.242 176.600 -0.209 0.000 1.048 92 K CA 4.133 60.308 56.287 -0.187 0.000 0.928 92 K CB -0.275 32.154 32.500 -0.119 0.000 0.713 92 K HN 0.590 8.761 8.250 -0.132 0.000 0.442 93 E N -1.978 118.127 120.200 -0.159 0.000 2.153 93 E HA -0.283 4.006 4.350 -0.101 0.000 0.194 93 E C 2.099 178.593 176.600 -0.177 0.000 0.988 93 E CA 3.076 59.405 56.400 -0.120 0.000 0.811 93 E CB -0.586 29.085 29.700 -0.049 0.000 0.746 93 E HN 0.405 8.688 8.360 -0.129 0.000 0.466 94 N N -0.059 118.429 118.700 -0.354 0.000 2.069 94 N HA -0.297 4.148 4.740 -0.492 0.000 0.191 94 N C 2.602 177.647 175.510 -0.774 0.000 1.031 94 N CA 3.027 55.609 53.050 -0.780 0.000 0.852 94 N CB -0.805 36.794 38.487 -1.479 0.000 1.018 94 N HN -0.685 7.401 8.380 -0.332 0.095 0.423 95 I N 0.246 120.352 120.570 -0.774 0.000 2.163 95 I HA -0.478 2.849 4.170 -1.405 0.000 0.243 95 I C 1.749 177.629 176.117 -0.395 0.000 1.085 95 I CA 4.222 65.026 61.300 -0.828 0.000 1.347 95 I CB -0.156 37.459 38.000 -0.642 0.000 1.044 95 I HN -0.228 7.528 8.210 -0.639 0.071 0.408 96 I N 0.013 120.441 120.570 -0.237 0.000 2.099 96 I HA -0.622 3.488 4.170 -0.100 0.000 0.239 96 I C 1.478 177.574 176.117 -0.035 0.000 1.066 96 I CA 4.336 65.571 61.300 -0.108 0.000 1.324 96 I CB -0.634 37.323 38.000 -0.073 0.000 1.037 96 I HN -0.171 7.811 8.210 -0.254 0.076 0.401 97 A N -0.365 122.468 122.820 0.022 0.000 1.892 97 A HA -0.465 3.922 4.320 0.111 0.000 0.218 97 A C 1.835 179.543 177.584 0.206 0.000 1.188 97 A CA 3.465 55.596 52.037 0.156 0.000 0.631 97 A CB -0.980 18.213 19.000 0.322 0.000 0.822 97 A HN 0.492 8.521 8.150 -0.020 0.109 0.447 98 A N -1.692 121.278 122.820 0.249 0.000 1.858 98 A HA -0.355 4.188 4.320 0.371 0.000 0.216 98 A C 1.699 179.374 177.584 0.152 0.000 1.190 98 A CA 3.114 55.332 52.037 0.301 0.000 0.617 98 A CB -0.548 18.702 19.000 0.418 0.000 0.827 98 A HN 0.206 8.444 8.150 0.148 0.000 0.443 99 A N -1.832 121.021 122.820 0.056 0.000 1.902 99 A HA -0.380 3.974 4.320 0.057 0.000 0.217 99 A C 2.228 179.836 177.584 0.040 0.000 1.181 99 A CA 2.654 54.713 52.037 0.036 0.000 0.623 99 A CB -0.599 18.392 19.000 -0.014 0.000 0.818 99 A HN -0.183 7.959 8.150 -0.012 0.000 0.443 100 Q N -1.947 117.876 119.800 0.038 0.000 2.050 100 Q HA -0.305 4.050 4.340 0.025 0.000 0.202 100 Q C 2.426 178.454 176.000 0.046 0.000 0.980 100 Q CA 2.239 58.063 55.803 0.036 0.000 0.840 100 Q CB -0.213 28.546 28.738 0.034 0.000 0.898 100 Q HN 0.234 8.415 8.270 0.033 0.108 0.424 101 A N -4.761 118.099 122.820 0.067 0.000 2.125 101 A HA -0.125 4.220 4.320 0.043 0.000 0.219 101 A C 0.097 177.712 177.584 0.053 0.000 1.156 101 A CA 0.720 52.793 52.037 0.060 0.000 0.671 101 A CB 0.171 19.218 19.000 0.078 0.000 0.794 101 A HN 0.207 8.298 8.150 0.089 0.113 0.459 102 G N -3.267 105.568 108.800 0.059 0.000 2.171 102 G HA2 -0.330 3.725 3.960 0.048 0.000 0.238 102 G HA3 -0.330 3.653 3.960 0.039 0.000 0.238 102 G C -0.455 174.483 174.900 0.063 0.000 1.039 102 G CA -0.469 44.662 45.100 0.051 0.000 0.759 102 G HN -0.659 7.487 8.290 0.065 0.183 0.501 103 A N 0.257 123.133 122.820 0.094 0.000 2.498 103 A HA -0.169 4.202 4.320 0.085 0.000 0.239 103 A C -0.114 177.524 177.584 0.090 0.000 1.068 103 A CA -0.077 52.026 52.037 0.109 0.000 0.766 103 A CB 0.517 19.631 19.000 0.189 0.000 1.003 103 A HN -0.082 8.135 8.150 0.111 0.000 0.497 104 S N 1.885 117.629 115.700 0.073 0.000 2.515 104 S HA -0.191 4.313 4.470 0.056 0.000 0.231 104 S C 0.291 174.927 174.600 0.060 0.000 0.987 104 S CA 1.774 60.011 58.200 0.062 0.000 0.936 104 S CB 0.703 63.940 63.200 0.062 0.000 0.766 104 S HN 0.220 8.571 8.310 0.068 0.000 0.528 105 G N -0.606 108.239 108.800 0.076 0.000 2.368 105 G HA2 0.133 4.148 3.960 0.091 0.000 0.293 105 G HA3 0.133 4.115 3.960 0.037 0.000 0.293 105 G C -3.705 171.270 174.900 0.125 0.000 1.467 105 G CA 0.175 45.322 45.100 0.079 0.000 0.804 105 G HN -1.009 7.292 8.290 0.093 0.045 0.535 106 Y N 0.398 120.681 120.300 -0.028 0.000 2.492 106 Y HA 0.797 5.506 4.550 -0.029 -0.176 0.346 106 Y C -2.094 173.760 175.900 -0.077 0.000 0.997 106 Y CA -0.986 57.090 58.100 -0.041 0.000 1.025 106 Y CB 3.594 42.032 38.460 -0.036 0.000 1.263 106 Y HN -0.004 8.369 8.280 0.154 0.000 0.454 107 V N 1.623 121.441 119.914 -0.162 0.000 2.888 107 V HA 0.261 4.373 4.120 -0.012 0.000 0.309 107 V C -2.503 173.516 176.094 -0.125 0.000 1.114 107 V CA -1.273 60.937 62.300 -0.151 0.000 0.940 107 V CB 4.091 35.678 31.823 -0.394 0.000 1.021 107 V HN 0.648 8.525 8.190 -0.521 0.000 0.426 108 V N 3.664 123.610 119.914 0.053 0.000 2.680 108 V HA 0.775 5.157 4.120 0.071 -0.219 0.309 108 V C -0.362 175.886 176.094 0.257 0.000 1.052 108 V CA -3.173 59.201 62.300 0.122 0.000 0.908 108 V CB 3.228 35.134 31.823 0.139 0.000 1.001 108 V HN 0.067 8.312 8.190 0.093 0.000 0.431 109 K N 5.360 125.946 120.400 0.310 0.000 2.518 109 K HA 0.008 4.590 4.320 0.437 0.000 0.276 109 K C -1.341 175.348 176.600 0.147 0.000 0.974 109 K CA -1.035 55.426 56.287 0.290 0.000 0.986 109 K CB -0.680 31.939 32.500 0.199 0.000 0.901 109 K HN -0.007 8.385 8.250 0.236 0.000 0.497 110 P HA 0.025 4.399 4.420 -0.077 0.000 0.279 110 P C -1.896 175.444 177.300 0.066 0.000 1.239 110 P CA -0.148 62.951 63.100 -0.002 0.000 0.789 110 P CB 0.527 32.202 31.700 -0.042 0.000 0.933 111 F N -1.697 118.256 119.950 0.006 0.000 2.640 111 F HA 0.313 4.840 4.527 -0.000 0.000 0.324 111 F C -1.972 173.824 175.800 -0.008 0.000 1.077 111 F CA -1.135 56.864 58.000 -0.002 0.000 0.965 111 F CB 1.558 40.554 39.000 -0.007 0.000 1.351 111 F HN -0.194 7.687 8.300 -0.699 0.000 0.487 112 T N -2.428 112.241 114.554 0.191 0.000 2.838 112 T HA 0.175 4.509 4.350 -0.027 0.000 0.292 112 T C -0.482 174.307 174.700 0.149 0.000 1.113 112 T CA -2.067 60.080 62.100 0.077 0.000 1.008 112 T CB 2.560 71.445 68.868 0.030 0.000 1.259 112 T HN -0.123 8.282 8.240 0.275 0.000 0.520 113 A N 0.162 123.030 122.820 0.079 0.000 1.978 113 A HA -0.342 4.026 4.320 0.081 0.000 0.220 113 A C 1.776 179.396 177.584 0.059 0.000 1.170 113 A CA 3.152 55.230 52.037 0.069 0.000 0.636 113 A CB -1.054 17.972 19.000 0.044 0.000 0.810 113 A HN 0.412 8.585 8.150 0.038 0.000 0.448 114 A N -2.763 120.088 122.820 0.052 0.000 1.873 114 A HA -0.232 4.108 4.320 0.034 0.000 0.218 114 A C 2.440 180.048 177.584 0.039 0.000 1.193 114 A CA 3.428 55.489 52.037 0.041 0.000 0.629 114 A CB -0.830 18.192 19.000 0.036 0.000 0.826 114 A HN 0.265 8.435 8.150 0.047 0.008 0.447 115 T N -0.682 113.908 114.554 0.061 0.000 2.942 115 T HA -0.177 4.187 4.350 0.023 0.000 0.265 115 T C 1.628 176.332 174.700 0.006 0.000 1.062 115 T CA 3.156 65.281 62.100 0.043 0.000 1.139 115 T CB 0.121 69.032 68.868 0.073 0.000 0.883 115 T HN -0.694 7.599 8.240 0.089 0.000 0.468 116 L N 1.763 123.001 121.223 0.026 0.000 1.970 116 L HA -0.359 3.925 4.340 -0.092 0.000 0.212 116 L C 1.175 178.004 176.870 -0.068 0.000 1.071 116 L CA 3.439 58.257 54.840 -0.036 0.000 0.751 116 L CB -0.581 41.482 42.059 0.007 0.000 0.889 116 L HN 0.159 8.442 8.230 0.088 0.000 0.432 117 E N -2.595 117.590 120.200 -0.025 0.000 2.268 117 E HA -0.385 3.920 4.350 -0.074 0.000 0.195 117 E C 2.187 178.729 176.600 -0.097 0.000 0.995 117 E CA 2.962 59.335 56.400 -0.044 0.000 0.836 117 E CB -0.756 28.963 29.700 0.032 0.000 0.763 117 E HN 0.465 8.725 8.360 0.013 0.109 0.491 118 E N 1.125 121.288 120.200 -0.061 0.000 2.047 118 E HA -0.288 4.030 4.350 -0.052 0.000 0.191 118 E C 2.315 178.861 176.600 -0.091 0.000 0.987 118 E CA 2.991 59.356 56.400 -0.058 0.000 0.799 118 E CB -0.163 29.524 29.700 -0.020 0.000 0.752 118 E HN -0.535 7.651 8.360 -0.034 0.153 0.449 119 K N -1.264 119.080 120.400 -0.094 0.000 2.097 119 K HA -0.201 4.080 4.320 -0.064 0.000 0.205 119 K C 2.526 179.029 176.600 -0.162 0.000 1.050 119 K CA 1.745 57.975 56.287 -0.095 0.000 0.938 119 K CB -0.558 31.895 32.500 -0.080 0.000 0.718 119 K HN -0.197 8.002 8.250 -0.084 0.000 0.442 120 L N -0.238 120.825 121.223 -0.266 0.000 1.989 120 L HA -0.490 3.662 4.340 -0.313 0.000 0.211 120 L C 1.688 178.002 176.870 -0.927 0.000 1.071 120 L CA 3.920 58.449 54.840 -0.517 0.000 0.749 120 L CB -0.643 41.081 42.059 -0.558 0.000 0.890 120 L HN 0.452 8.550 8.230 -0.221 0.000 0.431 121 N N -2.252 116.011 118.700 -0.728 0.000 2.244 121 N HA -0.338 3.879 4.740 -0.872 0.000 0.183 121 N C 2.009 177.424 175.510 -0.157 0.000 1.016 121 N CA 3.199 55.949 53.050 -0.501 0.000 0.866 121 N CB 0.013 38.410 38.487 -0.150 0.000 0.980 121 N HN 0.155 8.134 8.380 -0.471 0.119 0.430 122 K N -0.147 120.180 120.400 -0.122 0.000 1.991 122 K HA -0.339 3.986 4.320 0.008 0.000 0.212 122 K C 2.125 178.737 176.600 0.020 0.000 1.049 122 K CA 3.801 60.072 56.287 -0.026 0.000 0.932 122 K CB 0.076 32.564 32.500 -0.020 0.000 0.717 122 K HN -0.268 7.880 8.250 -0.159 0.007 0.441 123 I N -3.478 117.098 120.570 0.011 0.000 2.614 123 I HA -0.357 3.872 4.170 0.097 0.000 0.258 123 I C 2.165 178.436 176.117 0.257 0.000 1.189 123 I CA 3.214 64.582 61.300 0.114 0.000 1.462 123 I CB -0.681 37.402 38.000 0.138 0.000 1.092 123 I HN -0.210 7.964 8.210 -0.061 0.000 0.442 124 F N 2.700 122.715 119.950 0.108 0.000 2.010 124 F HA -0.222 4.644 4.527 0.094 -0.283 0.296 124 F C 3.051 178.889 175.800 0.063 0.000 1.146 124 F CA 0.382 58.439 58.000 0.095 0.000 1.181 124 F CB -1.591 37.475 39.000 0.111 0.000 0.965 124 F HN 0.284 8.429 8.300 0.070 0.198 0.480 125 E N -2.236 118.122 120.200 0.262 0.000 2.158 125 E HA -0.219 4.220 4.350 0.149 0.000 0.191 125 E C 1.873 178.536 176.600 0.106 0.000 0.982 125 E CA 2.125 58.618 56.400 0.155 0.000 0.823 125 E CB 0.036 29.811 29.700 0.123 0.000 0.766 125 E HN -0.417 8.101 8.360 0.263 0.000 0.468 126 K N -0.400 120.059 120.400 0.098 0.000 1.975 126 K HA -0.189 4.166 4.320 0.057 0.000 0.210 126 K C 1.568 178.208 176.600 0.066 0.000 1.041 126 K CA 2.885 59.213 56.287 0.069 0.000 0.942 126 K CB 0.466 33.001 32.500 0.059 0.000 0.729 126 K HN 0.019 8.232 8.250 0.112 0.104 0.439 127 L N -3.424 117.845 121.223 0.077 0.000 2.179 127 L HA 0.025 4.389 4.340 0.041 0.000 0.208 127 L C 1.097 177.999 176.870 0.054 0.000 1.096 127 L CA 0.519 55.394 54.840 0.058 0.000 0.779 127 L CB 0.704 42.796 42.059 0.055 0.000 0.922 127 L HN -0.482 7.804 8.230 0.095 0.000 0.443 128 G N -3.515 105.334 108.800 0.082 0.000 2.141 128 G HA2 -0.351 3.710 3.960 0.069 0.000 0.195 128 G HA3 -0.351 3.628 3.960 0.033 0.000 0.195 128 G C -0.097 174.837 174.900 0.057 0.000 1.012 128 G CA -0.335 44.801 45.100 0.061 0.000 0.696 128 G HN -0.359 7.912 8.290 0.122 0.092 0.508 129 M N 0.000 119.683 119.600 0.138 0.000 2.572 129 M HA 0.000 4.490 4.480 0.017 0.000 0.227 129 M CA 0.000 55.382 55.300 0.136 0.000 0.988 129 M CB 0.000 32.785 32.600 0.308 0.000 1.302 129 M HN 0.000 8.325 8.290 0.217 0.096 0.411