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 2k9m_1_A DATA FIRST_RESID 69 DATA SEQUENCE YTPSELEELQ QNIKLELEGK EQELALELLN YLNEKGFLSK SVEEISDVLR DATA SEQUENCE CSVEELEKVR QKVLRLEPLG VCSKDVWEFL ELQIEEIYPE EEEILKKALR DATA SEQUENCE DLKRGKKLKP EIKGKLSRLR LFPLSSSAEK 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 69 Y HA 0.000 4.547 4.550 -0.006 0.000 0.201 69 Y C 0.000 175.895 175.900 -0.008 0.000 1.272 69 Y CA 0.000 58.096 58.100 -0.006 0.000 1.940 69 Y CB 0.000 38.457 38.460 -0.004 0.000 1.050 70 T N 4.501 118.889 114.554 -0.278 0.000 2.945 70 T HA 0.352 4.694 4.350 -0.013 0.000 0.286 70 T C -2.258 172.419 174.700 -0.038 0.000 1.025 70 T CA -2.556 59.472 62.100 -0.121 0.000 1.039 70 T CB 0.452 69.223 68.868 -0.161 0.000 1.068 70 T HN -0.165 7.631 8.240 -0.740 0.000 0.497 71 P HA 0.044 4.549 4.420 0.141 0.000 0.271 71 P C -0.712 176.607 177.300 0.031 0.000 1.216 71 P CA -0.457 62.684 63.100 0.069 0.000 0.771 71 P CB 0.697 32.421 31.700 0.040 0.000 0.864 72 S N 2.995 118.737 115.700 0.070 0.000 2.741 72 S HA 0.164 4.763 4.470 0.008 -0.124 0.247 72 S C 0.357 174.980 174.600 0.039 0.000 1.050 72 S CA -0.552 57.672 58.200 0.041 0.000 1.025 72 S CB 0.040 63.277 63.200 0.062 0.000 0.897 72 S HN 0.221 8.603 8.310 0.120 0.000 0.508 73 E N 3.116 123.336 120.200 0.034 0.000 2.028 73 E HA -0.224 4.143 4.350 0.029 0.000 0.191 73 E C 1.921 178.529 176.600 0.013 0.000 0.988 73 E CA 2.787 59.200 56.400 0.022 0.000 0.799 73 E CB -0.931 28.774 29.700 0.007 0.000 0.755 73 E HN 0.475 8.790 8.360 0.035 0.066 0.447 74 L N -4.938 116.289 121.223 0.006 0.000 1.989 74 L HA -0.325 4.017 4.340 0.003 0.000 0.211 74 L C 1.451 178.323 176.870 0.004 0.000 1.071 74 L CA 4.038 58.880 54.840 0.002 0.000 0.749 74 L CB -1.443 40.614 42.059 -0.005 0.000 0.890 74 L HN -0.249 7.983 8.230 0.004 0.000 0.431 75 E N -0.666 119.535 120.200 0.001 0.000 2.085 75 E HA -0.487 3.862 4.350 -0.002 0.000 0.194 75 E C 2.117 178.722 176.600 0.007 0.000 0.994 75 E CA 3.016 59.417 56.400 0.000 0.000 0.801 75 E CB -1.182 28.514 29.700 -0.006 0.000 0.743 75 E HN 0.003 8.362 8.360 -0.001 0.000 0.453 76 E N 0.167 120.376 120.200 0.014 0.000 2.110 76 E HA -0.299 4.062 4.350 0.019 0.000 0.193 76 E C 2.565 179.175 176.600 0.017 0.000 0.988 76 E CA 2.829 59.240 56.400 0.019 0.000 0.804 76 E CB -0.088 29.629 29.700 0.028 0.000 0.745 76 E HN -0.516 7.845 8.360 0.016 0.008 0.458 77 L N -0.018 121.215 121.223 0.016 0.000 2.056 77 L HA -0.204 4.146 4.340 0.017 0.000 0.207 77 L C 2.254 179.131 176.870 0.012 0.000 1.078 77 L CA 3.267 58.116 54.840 0.015 0.000 0.749 77 L CB -0.402 41.666 42.059 0.016 0.000 0.901 77 L HN -0.254 7.878 8.230 0.015 0.107 0.433 78 Q N -1.804 118.002 119.800 0.010 0.000 2.002 78 Q HA -0.418 3.927 4.340 0.009 0.000 0.204 78 Q C 2.814 178.818 176.000 0.007 0.000 0.988 78 Q CA 2.697 58.505 55.803 0.008 0.000 0.843 78 Q CB -0.907 27.834 28.738 0.005 0.000 0.908 78 Q HN -0.032 8.243 8.270 0.009 0.000 0.420 79 Q N -1.049 118.755 119.800 0.007 0.000 2.061 79 Q HA -0.423 3.920 4.340 0.005 0.000 0.204 79 Q C 2.436 178.440 176.000 0.008 0.000 0.984 79 Q CA 2.818 58.625 55.803 0.007 0.000 0.846 79 Q CB -0.793 27.950 28.738 0.008 0.000 0.902 79 Q HN -0.157 8.117 8.270 0.007 0.000 0.421 80 N N 0.634 119.339 118.700 0.009 0.000 2.094 80 N HA -0.325 4.420 4.740 0.009 0.000 0.191 80 N C 2.246 177.760 175.510 0.007 0.000 1.023 80 N CA 3.419 56.474 53.050 0.009 0.000 0.857 80 N CB 0.142 38.636 38.487 0.011 0.000 1.013 80 N HN -0.495 7.891 8.380 0.011 0.000 0.426 81 I N 0.459 121.033 120.570 0.007 0.000 2.099 81 I HA -0.454 3.902 4.170 0.004 -0.184 0.239 81 I C 2.051 178.170 176.117 0.004 0.000 1.066 81 I CA 4.373 65.676 61.300 0.005 0.000 1.324 81 I CB 0.026 38.029 38.000 0.006 0.000 1.037 81 I HN -0.021 8.194 8.210 0.008 0.000 0.401 82 K N -1.565 118.837 120.400 0.004 0.000 2.281 82 K HA -0.217 4.238 4.320 0.003 -0.133 0.203 82 K C 1.946 178.547 176.600 0.003 0.000 1.046 82 K CA 2.839 59.129 56.287 0.004 0.000 0.938 82 K CB -0.374 32.128 32.500 0.004 0.000 0.737 82 K HN -0.505 7.748 8.250 0.005 0.000 0.458 83 L N -1.794 119.432 121.223 0.004 0.000 2.022 83 L HA -0.295 4.047 4.340 0.003 0.000 0.204 83 L C 1.667 178.538 176.870 0.002 0.000 1.076 83 L CA 2.899 57.741 54.840 0.004 0.000 0.749 83 L CB 0.438 42.500 42.059 0.005 0.000 0.903 83 L HN -0.325 7.749 8.230 0.004 0.159 0.439 84 E N -2.731 117.470 120.200 0.002 0.000 2.110 84 E HA -0.263 4.087 4.350 0.000 0.000 0.193 84 E C 0.644 177.244 176.600 -0.000 0.000 0.988 84 E CA 2.209 58.610 56.400 0.001 0.000 0.804 84 E CB 0.411 30.110 29.700 -0.000 0.000 0.745 84 E HN -0.294 8.068 8.360 0.003 0.000 0.458 85 L N -7.083 114.140 121.223 0.000 0.000 2.403 85 L HA 0.369 4.709 4.340 -0.000 0.000 0.253 85 L C -2.272 174.598 176.870 0.001 0.000 1.045 85 L CA -1.180 53.660 54.840 -0.000 0.000 0.845 85 L CB 3.759 45.818 42.059 -0.001 0.000 1.447 85 L HN -0.030 8.084 8.230 0.001 0.116 0.411 86 E N -2.354 117.846 120.200 0.000 0.000 2.396 86 E HA 0.020 4.371 4.350 0.001 0.000 0.280 86 E C -1.042 175.558 176.600 0.000 0.000 1.065 86 E CA -0.348 56.053 56.400 0.001 0.000 0.831 86 E CB 4.076 33.777 29.700 0.001 0.000 1.272 86 E HN 0.242 8.602 8.360 -0.000 0.000 0.443 87 G N 2.593 111.394 108.800 0.001 0.000 2.456 87 G HA2 -0.225 3.736 3.960 0.000 0.000 0.204 87 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.204 87 G C -0.657 174.243 174.900 -0.000 0.000 1.193 87 G CA -0.189 44.911 45.100 0.000 0.000 1.220 87 G HN 0.178 8.469 8.290 0.001 0.000 0.565 88 K N 3.998 124.397 120.400 -0.001 0.000 2.137 88 K HA -0.165 4.154 4.320 -0.002 0.000 0.202 88 K C 1.209 177.806 176.600 -0.004 0.000 1.052 88 K CA 2.146 58.431 56.287 -0.003 0.000 0.961 88 K CB 0.032 32.530 32.500 -0.004 0.000 0.741 88 K HN 0.373 8.622 8.250 -0.002 0.000 0.452 89 E N -1.015 119.183 120.200 -0.004 0.000 2.049 89 E HA -0.483 3.863 4.350 -0.006 0.000 0.198 89 E C 1.962 178.560 176.600 -0.003 0.000 1.007 89 E CA 4.363 60.761 56.400 -0.004 0.000 0.809 89 E CB -1.220 28.478 29.700 -0.004 0.000 0.749 89 E HN 0.576 8.934 8.360 -0.003 0.000 0.450 90 Q N -3.260 116.539 119.800 -0.001 0.000 2.170 90 Q HA -0.315 4.026 4.340 0.002 0.000 0.203 90 Q C 1.971 177.973 176.000 0.004 0.000 0.976 90 Q CA 3.088 58.892 55.803 0.002 0.000 0.858 90 Q CB -1.342 27.398 28.738 0.003 0.000 0.907 90 Q HN 0.315 8.585 8.270 -0.001 0.000 0.433 91 E N 0.460 120.662 120.200 0.003 0.000 2.038 91 E HA -0.310 4.046 4.350 0.010 0.000 0.195 91 E C 2.379 178.980 176.600 0.003 0.000 1.000 91 E CA 2.599 59.002 56.400 0.006 0.000 0.803 91 E CB -0.453 29.249 29.700 0.003 0.000 0.750 91 E HN -0.770 7.480 8.360 0.001 0.111 0.448 92 L N -1.122 120.097 121.223 -0.006 0.000 1.990 92 L HA -0.395 3.930 4.340 -0.025 0.000 0.213 92 L C 2.054 178.918 176.870 -0.011 0.000 1.072 92 L CA 3.257 58.088 54.840 -0.016 0.000 0.755 92 L CB -1.008 41.039 42.059 -0.019 0.000 0.889 92 L HN -0.279 7.947 8.230 -0.006 0.000 0.432 93 A N -0.856 121.962 122.820 -0.004 0.000 1.873 93 A HA -0.448 3.871 4.320 -0.001 0.000 0.218 93 A C 2.153 179.745 177.584 0.013 0.000 1.193 93 A CA 3.133 55.171 52.037 0.002 0.000 0.629 93 A CB -0.707 18.296 19.000 0.004 0.000 0.826 93 A HN -0.597 7.551 8.150 -0.004 0.000 0.447 94 L N -1.938 119.295 121.223 0.018 0.000 2.043 94 L HA -0.467 3.889 4.340 0.027 0.000 0.212 94 L C 2.824 179.728 176.870 0.057 0.000 1.075 94 L CA 3.111 57.969 54.840 0.031 0.000 0.752 94 L CB -0.293 41.782 42.059 0.028 0.000 0.891 94 L HN -0.117 8.121 8.230 0.013 0.000 0.432 95 E N -1.816 118.416 120.200 0.054 0.000 2.038 95 E HA -0.400 4.065 4.350 0.192 0.000 0.195 95 E C 2.659 179.311 176.600 0.086 0.000 1.000 95 E CA 2.871 59.323 56.400 0.086 0.000 0.803 95 E CB -0.318 29.371 29.700 -0.019 0.000 0.750 95 E HN -0.458 7.844 8.360 0.029 0.076 0.448 96 L N -1.536 119.693 121.223 0.010 0.000 2.013 96 L HA -0.238 4.084 4.340 -0.030 0.000 0.212 96 L C 2.037 178.942 176.870 0.058 0.000 1.073 96 L CA 3.092 57.937 54.840 0.007 0.000 0.753 96 L CB -0.382 41.672 42.059 -0.008 0.000 0.890 96 L HN -0.273 7.953 8.230 -0.006 0.000 0.432 97 L N -8.824 112.431 121.223 0.053 0.000 2.599 97 L HA 0.036 4.397 4.340 0.035 0.000 0.230 97 L C 1.013 177.917 176.870 0.056 0.000 1.141 97 L CA 1.686 56.552 54.840 0.044 0.000 0.877 97 L CB -0.941 41.134 42.059 0.026 0.000 1.009 97 L HN -0.304 7.951 8.230 0.042 0.000 0.447 98 N N -1.001 117.770 118.700 0.118 0.000 2.409 98 N HA -0.016 4.743 4.740 0.031 0.000 0.174 98 N C 0.775 176.335 175.510 0.084 0.000 1.037 98 N CA 1.925 55.040 53.050 0.107 0.000 0.898 98 N CB 1.108 39.691 38.487 0.160 0.000 1.010 98 N HN -0.227 8.005 8.380 0.153 0.240 0.445 99 Y N -0.423 119.854 120.300 -0.038 0.000 2.933 99 Y HA 0.057 4.580 4.550 -0.045 0.000 0.380 99 Y C -1.594 174.265 175.900 -0.068 0.000 1.056 99 Y CA -1.490 56.583 58.100 -0.045 0.000 1.704 99 Y CB -1.688 36.753 38.460 -0.032 0.000 1.558 99 Y HN -0.441 8.075 8.280 0.394 0.000 0.501 100 L N -5.432 115.791 121.223 -0.001 0.000 2.286 100 L HA 0.300 4.670 4.340 -0.104 -0.092 0.265 100 L C -0.986 175.793 176.870 -0.153 0.000 1.012 100 L CA -2.014 52.772 54.840 -0.090 0.000 0.818 100 L CB 1.721 43.732 42.059 -0.080 0.000 1.337 100 L HN -0.967 7.165 8.230 -0.017 0.089 0.438 101 N N -0.581 117.963 118.700 -0.259 0.000 2.491 101 N HA 0.101 4.740 4.740 -0.168 0.000 0.279 101 N C 0.557 175.954 175.510 -0.187 0.000 1.236 101 N CA -1.764 51.145 53.050 -0.236 0.000 0.982 101 N CB 2.377 40.676 38.487 -0.315 0.000 1.194 101 N HN -0.360 7.791 8.380 -0.382 0.000 0.582 102 E N 0.903 121.026 120.200 -0.129 0.000 2.335 102 E HA -0.036 4.272 4.350 -0.068 0.000 0.191 102 E C -0.585 175.986 176.600 -0.048 0.000 1.150 102 E CA 1.413 57.768 56.400 -0.075 0.000 1.001 102 E CB -1.163 28.507 29.700 -0.051 0.000 1.127 102 E HN 0.445 8.732 8.360 -0.121 0.000 0.462 103 K N -2.960 117.387 120.400 -0.088 0.000 2.367 103 K HA 0.197 4.569 4.320 0.087 0.000 0.195 103 K C 0.461 177.141 176.600 0.133 0.000 1.060 103 K CA -1.066 55.247 56.287 0.042 0.000 1.022 103 K CB 0.489 33.037 32.500 0.080 0.000 0.894 103 K HN -0.155 7.834 8.250 -0.196 0.143 0.540 104 G N -1.251 107.566 108.800 0.028 0.000 2.184 104 G HA2 -0.260 3.715 3.960 0.025 0.000 0.206 104 G HA3 -0.260 3.773 3.960 0.120 0.000 0.206 104 G C -2.105 172.873 174.900 0.130 0.000 0.995 104 G CA 0.101 45.248 45.100 0.077 0.000 0.651 104 G HN -0.421 7.817 8.290 -0.086 0.000 0.511 105 F N -3.737 116.197 119.950 -0.027 0.000 2.578 105 F HA 0.584 5.080 4.527 -0.052 0.000 0.311 105 F C -1.949 173.840 175.800 -0.018 0.000 1.094 105 F CA -3.663 54.312 58.000 -0.043 0.000 0.923 105 F CB 2.460 41.415 39.000 -0.076 0.000 1.230 105 F HN -1.106 7.020 8.300 -0.196 0.057 0.450 106 L N -1.556 119.673 121.223 0.011 0.000 2.593 106 L HA -0.130 4.157 4.340 -0.089 0.000 0.287 106 L C -0.532 176.273 176.870 -0.109 0.000 1.243 106 L CA 0.760 55.574 54.840 -0.043 0.000 0.890 106 L CB -0.583 41.507 42.059 0.051 0.000 1.134 106 L HN -0.039 8.262 8.230 0.118 0.000 0.502 107 S N 2.092 117.703 115.700 -0.149 0.000 2.496 107 S HA -0.084 4.281 4.470 -0.175 0.000 0.224 107 S C 0.070 174.690 174.600 0.034 0.000 0.996 107 S CA 1.989 60.123 58.200 -0.111 0.000 0.927 107 S CB 0.539 63.665 63.200 -0.123 0.000 0.774 107 S HN 0.039 8.282 8.310 -0.112 0.000 0.524 108 K N -1.223 119.209 120.400 0.053 0.000 2.375 108 K HA 0.251 4.611 4.320 0.067 0.000 0.249 108 K C -1.318 175.315 176.600 0.055 0.000 0.942 108 K CA -1.805 54.520 56.287 0.063 0.000 0.806 108 K CB 2.059 34.599 32.500 0.066 0.000 1.227 108 K HN -0.867 7.369 8.250 0.044 0.040 0.430 109 S N 0.175 115.902 115.700 0.046 0.000 2.580 109 S HA -0.137 4.359 4.470 0.044 0.000 0.266 109 S C 1.517 176.121 174.600 0.006 0.000 1.354 109 S CA -0.823 57.397 58.200 0.032 0.000 1.008 109 S CB 1.061 64.277 63.200 0.026 0.000 0.898 109 S HN 0.194 8.855 8.310 0.047 -0.323 0.555 110 V N 3.552 123.465 119.914 -0.001 0.000 2.453 110 V HA -0.329 3.771 4.120 -0.034 0.000 0.247 110 V C 1.798 177.872 176.094 -0.034 0.000 1.048 110 V CA 4.004 66.290 62.300 -0.022 0.000 1.049 110 V CB -0.118 31.695 31.823 -0.016 0.000 0.672 110 V HN 0.545 8.739 8.190 0.007 0.000 0.457 111 E N -0.640 119.548 120.200 -0.020 0.000 2.038 111 E HA -0.476 3.859 4.350 -0.025 0.000 0.195 111 E C 2.244 178.825 176.600 -0.031 0.000 1.000 111 E CA 4.494 60.881 56.400 -0.021 0.000 0.803 111 E CB -0.677 29.017 29.700 -0.009 0.000 0.750 111 E HN -0.135 8.220 8.360 -0.009 0.000 0.448 112 E N -1.428 118.758 120.200 -0.024 0.000 2.077 112 E HA -0.277 4.058 4.350 -0.024 0.000 0.193 112 E C 2.253 178.814 176.600 -0.065 0.000 0.989 112 E CA 2.547 58.930 56.400 -0.028 0.000 0.800 112 E CB -0.748 28.948 29.700 -0.006 0.000 0.746 112 E HN 0.212 8.565 8.360 -0.013 0.000 0.452 113 I N 0.549 121.065 120.570 -0.091 0.000 2.286 113 I HA -0.447 3.567 4.170 -0.259 0.000 0.248 113 I C 2.360 178.347 176.117 -0.218 0.000 1.115 113 I CA 3.674 64.852 61.300 -0.203 0.000 1.392 113 I CB -0.145 37.735 38.000 -0.200 0.000 1.065 113 I HN -0.217 7.957 8.210 -0.061 0.000 0.418 114 S N -0.607 115.015 115.700 -0.130 0.000 2.406 114 S HA -0.282 4.113 4.470 -0.126 0.000 0.228 114 S C 1.700 176.249 174.600 -0.086 0.000 1.020 114 S CA 3.012 61.149 58.200 -0.105 0.000 0.965 114 S CB -0.624 62.536 63.200 -0.067 0.000 0.798 114 S HN 0.203 8.250 8.310 -0.097 0.205 0.488 115 D N 2.040 122.398 120.400 -0.071 0.000 2.183 115 D HA -0.159 4.456 4.640 -0.041 0.000 0.203 115 D C 1.756 178.025 176.300 -0.053 0.000 0.969 115 D CA 3.420 57.391 54.000 -0.049 0.000 0.842 115 D CB 0.128 40.908 40.800 -0.033 0.000 0.957 115 D HN -0.422 7.787 8.370 -0.070 0.119 0.484 116 V N -0.818 119.050 119.914 -0.076 0.000 2.488 116 V HA -0.223 3.880 4.120 -0.029 0.000 0.246 116 V C 0.576 176.623 176.094 -0.078 0.000 1.046 116 V CA 2.715 64.976 62.300 -0.064 0.000 1.053 116 V CB 0.203 31.989 31.823 -0.062 0.000 0.679 116 V HN -0.351 7.780 8.190 -0.098 0.000 0.458 117 L N -7.580 113.557 121.223 -0.144 0.000 2.554 117 L HA 0.086 4.376 4.340 -0.083 0.000 0.226 117 L C -0.391 176.440 176.870 -0.065 0.000 1.137 117 L CA 0.684 55.451 54.840 -0.123 0.000 0.863 117 L CB 0.441 42.380 42.059 -0.199 0.000 0.985 117 L HN -0.583 7.536 8.230 -0.185 0.000 0.451 118 R N -5.069 115.397 120.500 -0.056 0.000 3.184 118 R HA -0.376 3.945 4.340 -0.032 0.000 0.257 118 R C -1.478 174.800 176.300 -0.036 0.000 0.999 118 R CA 0.620 56.699 56.100 -0.035 0.000 0.670 118 R CB -3.605 26.683 30.300 -0.021 0.000 1.197 118 R HN -0.325 7.716 8.270 -0.065 0.191 0.419 119 C N -0.511 118.763 119.300 -0.044 0.000 2.880 119 C HA 0.198 4.640 4.460 -0.029 0.000 0.320 119 C C -1.105 173.865 174.990 -0.034 0.000 1.176 119 C CA -2.268 56.727 59.018 -0.038 0.000 1.390 119 C CB 2.793 30.505 27.740 -0.046 0.000 1.846 119 C HN 0.684 8.783 8.230 -0.051 0.100 0.478 120 S N 6.737 122.421 115.700 -0.026 0.000 2.549 120 S HA 0.025 4.482 4.470 -0.021 0.000 0.286 120 S C 1.154 175.740 174.600 -0.024 0.000 1.314 120 S CA 0.316 58.503 58.200 -0.022 0.000 1.062 120 S CB 0.473 63.664 63.200 -0.016 0.000 0.865 120 S HN 0.278 8.574 8.310 -0.023 0.000 0.498 121 V N 3.477 123.378 119.914 -0.022 0.000 2.255 121 V HA -0.492 3.612 4.120 -0.027 0.000 0.247 121 V C 1.627 177.711 176.094 -0.017 0.000 1.051 121 V CA 3.685 65.972 62.300 -0.021 0.000 1.018 121 V CB -0.954 30.859 31.823 -0.017 0.000 0.641 121 V HN 0.598 8.776 8.190 -0.020 0.000 0.445 122 E N -0.287 119.905 120.200 -0.014 0.000 2.049 122 E HA -0.346 3.998 4.350 -0.010 0.000 0.198 122 E C 2.151 178.743 176.600 -0.012 0.000 1.007 122 E CA 2.934 59.327 56.400 -0.011 0.000 0.809 122 E CB -1.418 28.276 29.700 -0.009 0.000 0.749 122 E HN 0.469 8.821 8.360 -0.013 0.000 0.450 123 E N -0.493 119.699 120.200 -0.014 0.000 2.038 123 E HA -0.247 4.096 4.350 -0.012 0.000 0.195 123 E C 2.265 178.855 176.600 -0.016 0.000 1.000 123 E CA 2.498 58.889 56.400 -0.014 0.000 0.803 123 E CB -0.779 28.912 29.700 -0.015 0.000 0.750 123 E HN -0.147 8.205 8.360 -0.014 0.000 0.448 124 L N -0.386 120.825 121.223 -0.021 0.000 2.127 124 L HA -0.366 3.960 4.340 -0.024 0.000 0.211 124 L C 1.958 178.816 176.870 -0.019 0.000 1.089 124 L CA 3.364 58.189 54.840 -0.024 0.000 0.757 124 L CB -0.239 41.800 42.059 -0.035 0.000 0.899 124 L HN 0.349 8.565 8.230 -0.023 0.000 0.434 125 E N -0.242 119.948 120.200 -0.016 0.000 2.028 125 E HA -0.475 3.868 4.350 -0.012 0.000 0.191 125 E C 2.342 178.935 176.600 -0.010 0.000 0.988 125 E CA 3.408 59.800 56.400 -0.012 0.000 0.799 125 E CB -0.159 29.535 29.700 -0.010 0.000 0.755 125 E HN 0.086 8.317 8.360 -0.016 0.120 0.447 126 K N -1.326 119.068 120.400 -0.010 0.000 2.009 126 K HA -0.269 4.046 4.320 -0.008 0.000 0.210 126 K C 2.779 179.373 176.600 -0.009 0.000 1.049 126 K CA 2.632 58.914 56.287 -0.009 0.000 0.929 126 K CB -0.559 31.936 32.500 -0.008 0.000 0.714 126 K HN -0.225 8.019 8.250 -0.011 0.000 0.440 127 V N -2.829 117.079 119.914 -0.009 0.000 2.343 127 V HA -0.356 3.759 4.120 -0.007 0.000 0.247 127 V C 1.966 178.056 176.094 -0.007 0.000 1.051 127 V CA 3.162 65.457 62.300 -0.008 0.000 1.036 127 V CB -1.013 30.804 31.823 -0.009 0.000 0.654 127 V HN -0.075 8.108 8.190 -0.011 0.000 0.451 128 R N -0.514 119.981 120.500 -0.008 0.000 2.120 128 R HA -0.367 3.971 4.340 -0.004 0.000 0.234 128 R C 2.581 178.878 176.300 -0.004 0.000 1.123 128 R CA 2.620 58.716 56.100 -0.006 0.000 0.975 128 R CB -0.792 29.503 30.300 -0.008 0.000 0.866 128 R HN 0.013 8.169 8.270 -0.011 0.108 0.446 129 Q N -1.323 118.474 119.800 -0.006 0.000 2.020 129 Q HA -0.257 4.079 4.340 -0.006 0.000 0.198 129 Q C 2.152 178.148 176.000 -0.007 0.000 0.974 129 Q CA 2.798 58.597 55.803 -0.007 0.000 0.829 129 Q CB -0.331 28.402 28.738 -0.008 0.000 0.894 129 Q HN 0.137 8.293 8.270 -0.007 0.110 0.433 130 K N -1.284 119.111 120.400 -0.007 0.000 2.103 130 K HA -0.252 4.062 4.320 -0.010 0.000 0.207 130 K C 1.713 178.310 176.600 -0.005 0.000 1.048 130 K CA 3.173 59.456 56.287 -0.007 0.000 0.930 130 K CB -0.260 32.236 32.500 -0.007 0.000 0.716 130 K HN -0.346 7.900 8.250 -0.007 0.000 0.444 131 V N -5.195 114.717 119.914 -0.002 0.000 2.788 131 V HA 0.029 4.150 4.120 0.002 0.000 0.251 131 V C 1.740 177.837 176.094 0.006 0.000 1.068 131 V CA 0.663 62.964 62.300 0.002 0.000 1.090 131 V CB 0.001 31.826 31.823 0.003 0.000 0.710 131 V HN -0.346 7.826 8.190 -0.003 0.016 0.467 132 L N 0.977 122.203 121.223 0.006 0.000 2.141 132 L HA -0.184 4.168 4.340 0.020 0.000 0.209 132 L C 1.267 178.144 176.870 0.013 0.000 1.094 132 L CA 2.909 57.757 54.840 0.013 0.000 0.763 132 L CB -0.305 41.758 42.059 0.008 0.000 0.908 132 L HN -0.110 7.923 8.230 0.002 0.198 0.437 133 R N -3.238 117.261 120.500 -0.001 0.000 2.237 133 R HA -0.202 4.129 4.340 -0.016 0.000 0.219 133 R C 0.579 176.875 176.300 -0.007 0.000 1.080 133 R CA 1.402 57.495 56.100 -0.012 0.000 0.995 133 R CB -0.446 29.840 30.300 -0.023 0.000 0.875 133 R HN -0.488 7.756 8.270 -0.003 0.023 0.462 134 L N 0.025 121.250 121.223 0.004 0.000 2.474 134 L HA -0.077 4.263 4.340 -0.000 0.000 0.259 134 L C -0.682 176.202 176.870 0.024 0.000 1.232 134 L CA 0.138 54.983 54.840 0.008 0.000 0.821 134 L CB 0.945 43.010 42.059 0.010 0.000 1.108 134 L HN -0.636 7.421 8.230 0.005 0.175 0.495 135 E N -1.205 119.010 120.200 0.025 0.000 2.158 135 E HA 0.336 4.804 4.350 0.061 -0.082 0.271 135 E C -2.069 174.554 176.600 0.038 0.000 0.911 135 E CA -2.567 53.858 56.400 0.042 0.000 0.767 135 E CB 1.498 31.221 29.700 0.039 0.000 1.120 135 E HN 0.324 8.694 8.360 0.017 0.000 0.405 136 P HA 0.017 4.491 4.420 0.090 0.000 0.272 136 P C -1.787 175.561 177.300 0.080 0.000 1.240 136 P CA -0.737 62.402 63.100 0.065 0.000 0.791 136 P CB 0.670 32.387 31.700 0.029 0.000 0.978 137 L N -3.124 118.189 121.223 0.150 0.000 2.473 137 L HA -0.010 4.760 4.340 0.088 -0.377 0.265 137 L C 2.193 179.128 176.870 0.108 0.000 1.243 137 L CA -0.239 54.689 54.840 0.147 0.000 0.822 137 L CB -0.105 42.100 42.059 0.243 0.000 1.101 137 L HN -0.065 8.300 8.230 0.226 0.000 0.507 138 G N 0.071 108.917 108.800 0.077 0.000 3.102 138 G HA2 -0.011 3.972 3.960 0.038 0.000 0.264 138 G HA3 -0.011 3.968 3.960 0.032 0.000 0.264 138 G C 0.311 175.242 174.900 0.052 0.000 0.788 138 G CA 0.006 45.135 45.100 0.048 0.000 2.029 138 G HN 0.095 8.350 8.290 0.066 0.075 0.608 139 V N 2.265 122.214 119.914 0.058 0.000 2.380 139 V HA -0.307 3.985 4.120 0.079 -0.125 0.251 139 V C 0.204 176.301 176.094 0.004 0.000 1.063 139 V CA 2.963 65.282 62.300 0.032 0.000 1.055 139 V CB 0.322 32.120 31.823 -0.040 0.000 0.657 139 V HN -0.046 8.120 8.190 0.054 0.056 0.455 140 C N -5.143 114.172 119.300 0.026 0.000 2.450 140 C HA -0.116 4.403 4.460 0.099 0.000 0.279 140 C C 2.761 177.770 174.990 0.033 0.000 1.335 140 C CA 1.421 60.469 59.018 0.051 0.000 1.749 140 C CB -1.799 25.965 27.740 0.040 0.000 1.963 140 C HN 0.140 8.370 8.230 0.024 0.014 0.501 141 S N 1.795 117.503 115.700 0.013 0.000 2.344 141 S HA -0.258 4.217 4.470 0.008 0.000 0.217 141 S C 1.223 175.811 174.600 -0.019 0.000 1.033 141 S CA 3.114 61.316 58.200 0.003 0.000 1.017 141 S CB -0.085 63.117 63.200 0.003 0.000 0.941 141 S HN -0.625 7.558 8.310 0.017 0.137 0.430 142 K N -2.124 118.250 120.400 -0.042 0.000 2.063 142 K HA 0.046 4.328 4.320 -0.064 0.000 0.204 142 K C -0.168 176.313 176.600 -0.199 0.000 1.039 142 K CA 0.800 57.035 56.287 -0.087 0.000 0.957 142 K CB 0.932 33.387 32.500 -0.074 0.000 0.764 142 K HN -0.456 7.778 8.250 -0.026 0.000 0.447 143 D N -6.813 113.433 120.400 -0.258 0.000 2.959 143 D HA -0.063 4.351 4.640 -0.374 0.001 0.325 143 D C -0.462 175.581 176.300 -0.428 0.000 1.351 143 D CA -0.352 53.344 54.000 -0.506 0.000 0.734 143 D CB 0.446 40.610 40.800 -1.060 0.000 1.303 143 D HN -1.017 7.261 8.370 -0.153 0.000 0.450 144 V N 0.047 119.615 119.914 -0.578 0.000 2.283 144 V HA -0.168 3.864 4.120 -0.147 0.000 0.243 144 V C 1.411 177.482 176.094 -0.039 0.000 1.039 144 V CA 4.424 66.578 62.300 -0.244 0.000 1.016 144 V CB 0.060 31.802 31.823 -0.136 0.000 0.650 144 V HN 0.245 7.897 8.190 -0.896 0.000 0.449 145 W N -2.982 118.349 121.300 0.051 0.000 2.576 145 W HA -0.071 4.666 4.660 0.127 0.000 0.270 145 W C 1.644 178.215 176.519 0.086 0.000 1.255 145 W CA 2.061 59.450 57.345 0.073 0.000 1.314 145 W CB -1.048 28.404 29.460 -0.013 0.000 1.101 145 W HN -0.372 7.397 8.180 -0.684 0.000 0.595 146 E N 0.890 120.944 120.200 -0.244 0.000 2.268 146 E HA -0.403 3.997 4.350 0.082 0.000 0.195 146 E C 1.670 178.255 176.600 -0.025 0.000 0.995 146 E CA 2.167 58.517 56.400 -0.083 0.000 0.836 146 E CB -1.429 28.140 29.700 -0.219 0.000 0.763 146 E HN -0.077 7.735 8.360 -0.912 0.000 0.491 147 F N 0.421 120.304 119.950 -0.111 0.000 2.154 147 F HA -0.320 4.170 4.527 -0.062 0.000 0.301 147 F C 1.198 176.989 175.800 -0.015 0.000 1.087 147 F CA 2.862 60.827 58.000 -0.059 0.000 1.274 147 F CB -0.410 38.556 39.000 -0.055 0.000 1.009 147 F HN -0.705 7.658 8.300 0.173 0.041 0.485 148 L N -0.071 120.572 121.223 -0.966 0.000 2.044 148 L HA -0.259 3.252 4.340 -1.381 0.000 0.205 148 L C 1.360 178.006 176.870 -0.374 0.000 1.075 148 L CA 2.405 56.694 54.840 -0.918 0.000 0.747 148 L CB -0.512 41.250 42.059 -0.494 0.000 0.903 148 L HN -0.635 7.355 8.230 -0.371 0.017 0.435 149 E N -0.802 119.290 120.200 -0.181 0.000 2.049 149 E HA -0.489 3.821 4.350 -0.067 0.000 0.198 149 E C 2.585 179.132 176.600 -0.089 0.000 1.007 149 E CA 3.389 59.740 56.400 -0.082 0.000 0.809 149 E CB -0.159 29.536 29.700 -0.008 0.000 0.749 149 E HN -0.641 7.641 8.360 -0.131 0.000 0.450 150 L N -3.883 117.283 121.223 -0.094 0.000 2.093 150 L HA -0.240 4.070 4.340 -0.050 0.000 0.208 150 L C 1.875 178.687 176.870 -0.097 0.000 1.085 150 L CA 3.521 58.318 54.840 -0.072 0.000 0.755 150 L CB -0.961 41.070 42.059 -0.046 0.000 0.904 150 L HN -0.123 8.049 8.230 -0.097 0.000 0.435 151 Q N -0.281 119.419 119.800 -0.166 0.000 2.135 151 Q HA -0.368 3.901 4.340 -0.117 0.000 0.204 151 Q C 2.372 178.292 176.000 -0.132 0.000 0.981 151 Q CA 3.394 59.095 55.803 -0.170 0.000 0.856 151 Q CB -0.091 28.462 28.738 -0.308 0.000 0.902 151 Q HN -0.398 7.639 8.270 -0.237 0.091 0.425 152 I N -0.970 119.541 120.570 -0.097 0.000 2.193 152 I HA -0.398 3.794 4.170 0.037 0.000 0.240 152 I C 1.551 177.655 176.117 -0.021 0.000 1.084 152 I CA 3.553 64.845 61.300 -0.013 0.000 1.365 152 I CB -0.032 37.977 38.000 0.015 0.000 1.064 152 I HN -0.238 7.885 8.210 -0.128 0.010 0.410 153 E N -1.770 118.411 120.200 -0.031 0.000 2.219 153 E HA -0.329 4.016 4.350 -0.007 0.000 0.198 153 E C 1.413 177.990 176.600 -0.039 0.000 0.998 153 E CA 2.463 58.849 56.400 -0.024 0.000 0.818 153 E CB 0.260 29.946 29.700 -0.023 0.000 0.741 153 E HN -0.712 7.623 8.360 -0.041 0.000 0.477 154 E N -2.168 117.993 120.200 -0.066 0.000 2.079 154 E HA -0.142 4.173 4.350 -0.059 0.000 0.191 154 E C 1.799 178.320 176.600 -0.132 0.000 0.961 154 E CA 1.337 57.690 56.400 -0.080 0.000 0.823 154 E CB 0.402 30.057 29.700 -0.074 0.000 0.789 154 E HN -0.282 8.001 8.360 -0.073 0.033 0.459 155 I N -1.479 118.961 120.570 -0.216 0.000 2.130 155 I HA -0.230 3.716 4.170 -0.374 0.000 0.232 155 I C 0.666 176.493 176.117 -0.483 0.000 1.064 155 I CA 1.752 62.781 61.300 -0.451 0.000 1.338 155 I CB 0.603 38.183 38.000 -0.700 0.000 1.084 155 I HN 0.138 8.119 8.210 -0.185 0.118 0.404 156 Y N -3.537 116.749 120.300 -0.024 0.000 2.931 156 Y HA 0.320 4.861 4.550 -0.015 0.000 0.330 156 Y C -1.273 174.613 175.900 -0.022 0.000 1.115 156 Y CA -3.076 55.012 58.100 -0.020 0.000 1.283 156 Y CB -0.883 37.564 38.460 -0.021 0.000 1.215 156 Y HN -0.468 7.666 8.280 -0.243 0.000 0.534 157 P HA -0.105 4.332 4.420 0.028 0.000 0.226 157 P C 0.554 177.882 177.300 0.048 0.000 1.153 157 P CA 1.094 64.218 63.100 0.040 0.000 0.777 157 P CB 0.118 31.827 31.700 0.014 0.000 0.794 158 E N -1.855 118.386 120.200 0.069 0.000 2.112 158 E HA -0.132 4.237 4.350 0.032 0.000 0.190 158 E C 0.068 176.689 176.600 0.036 0.000 0.979 158 E CA 2.357 58.785 56.400 0.047 0.000 0.814 158 E CB -0.603 29.126 29.700 0.048 0.000 0.762 158 E HN 0.392 8.759 8.360 0.103 0.055 0.460 159 E N -2.359 117.872 120.200 0.052 0.000 2.423 159 E HA 0.259 4.613 4.350 0.006 0.000 0.198 159 E C 0.150 176.767 176.600 0.028 0.000 1.038 159 E CA -1.378 55.035 56.400 0.021 0.000 1.011 159 E CB -1.270 28.421 29.700 -0.015 0.000 1.118 159 E HN -0.522 7.896 8.360 0.097 0.000 0.451 160 E N -0.630 119.589 120.200 0.032 0.000 2.070 160 E HA -0.489 3.876 4.350 0.026 0.000 0.197 160 E C 1.355 177.959 176.600 0.008 0.000 1.004 160 E CA 3.503 59.916 56.400 0.020 0.000 0.805 160 E CB -0.653 29.055 29.700 0.014 0.000 0.744 160 E HN -0.657 7.631 8.360 0.034 0.092 0.451 161 E N -1.466 118.736 120.200 0.004 0.000 2.072 161 E HA -0.219 4.130 4.350 -0.001 0.000 0.191 161 E C 2.055 178.652 176.600 -0.005 0.000 0.985 161 E CA 2.483 58.882 56.400 -0.001 0.000 0.801 161 E CB -0.885 28.814 29.700 -0.002 0.000 0.750 161 E HN 0.291 8.655 8.360 0.006 0.000 0.452 162 I N 0.932 121.498 120.570 -0.007 0.000 2.099 162 I HA -0.334 3.827 4.170 -0.015 0.000 0.239 162 I C 2.259 178.367 176.117 -0.015 0.000 1.066 162 I CA 2.239 63.530 61.300 -0.015 0.000 1.324 162 I CB -1.267 36.719 38.000 -0.024 0.000 1.037 162 I HN -0.473 7.661 8.210 -0.004 0.073 0.401 163 L N -2.174 119.042 121.223 -0.011 0.000 2.141 163 L HA -0.311 4.020 4.340 -0.016 0.000 0.209 163 L C 2.175 179.038 176.870 -0.013 0.000 1.094 163 L CA 1.764 56.597 54.840 -0.012 0.000 0.763 163 L CB -2.023 40.035 42.059 -0.001 0.000 0.908 163 L HN 0.361 8.587 8.230 -0.006 0.000 0.437 164 K N 0.336 120.730 120.400 -0.009 0.000 2.032 164 K HA -0.379 3.935 4.320 -0.009 0.000 0.209 164 K C 2.247 178.842 176.600 -0.009 0.000 1.048 164 K CA 3.016 59.298 56.287 -0.008 0.000 0.927 164 K CB -0.616 31.882 32.500 -0.004 0.000 0.712 164 K HN -0.006 8.145 8.250 -0.006 0.096 0.441 165 K N -1.583 118.811 120.400 -0.010 0.000 2.097 165 K HA -0.216 4.097 4.320 -0.013 0.000 0.205 165 K C 2.063 178.656 176.600 -0.012 0.000 1.050 165 K CA 2.624 58.904 56.287 -0.012 0.000 0.938 165 K CB -0.110 32.383 32.500 -0.012 0.000 0.718 165 K HN -0.366 7.878 8.250 -0.009 0.000 0.442 166 A N -0.004 122.809 122.820 -0.011 0.000 1.855 166 A HA -0.136 4.364 4.320 -0.009 -0.185 0.215 166 A C 2.293 179.873 177.584 -0.006 0.000 1.191 166 A CA 2.892 54.923 52.037 -0.009 0.000 0.613 166 A CB -0.554 18.440 19.000 -0.010 0.000 0.829 166 A HN -0.556 7.489 8.150 -0.012 0.098 0.442 167 L N -3.640 117.579 121.223 -0.006 0.000 2.127 167 L HA -0.366 3.980 4.340 0.009 0.000 0.211 167 L C 1.968 178.837 176.870 -0.003 0.000 1.089 167 L CA 3.208 58.048 54.840 0.001 0.000 0.757 167 L CB -1.156 40.900 42.059 -0.004 0.000 0.899 167 L HN 0.390 8.504 8.230 -0.010 0.110 0.434 168 R N -1.413 119.079 120.500 -0.013 0.000 2.115 168 R HA -0.343 3.972 4.340 -0.041 0.000 0.226 168 R C 1.515 177.796 176.300 -0.033 0.000 1.100 168 R CA 3.240 59.322 56.100 -0.029 0.000 0.980 168 R CB -0.340 29.943 30.300 -0.028 0.000 0.875 168 R HN -0.441 7.803 8.270 -0.011 0.019 0.445 169 D N 0.141 120.528 120.400 -0.022 0.000 2.149 169 D HA -0.171 4.455 4.640 -0.024 0.000 0.201 169 D C 2.298 178.589 176.300 -0.016 0.000 0.972 169 D CA 3.029 57.017 54.000 -0.019 0.000 0.835 169 D CB 0.203 40.995 40.800 -0.013 0.000 0.966 169 D HN -0.191 8.065 8.370 -0.016 0.104 0.476 170 L N -3.487 117.731 121.223 -0.009 0.000 2.179 170 L HA 0.048 4.389 4.340 0.002 0.000 0.208 170 L C 1.799 178.663 176.870 -0.008 0.000 1.096 170 L CA 2.507 57.347 54.840 -0.000 0.000 0.779 170 L CB -0.289 41.778 42.059 0.013 0.000 0.922 170 L HN -0.045 8.181 8.230 -0.007 0.000 0.443 171 K N 0.295 120.682 120.400 -0.023 0.000 2.103 171 K HA -0.191 4.106 4.320 -0.038 0.000 0.204 171 K C 1.421 177.980 176.600 -0.069 0.000 1.052 171 K CA 2.209 58.466 56.287 -0.049 0.000 0.945 171 K CB 0.089 32.546 32.500 -0.071 0.000 0.722 171 K HN -0.258 7.961 8.250 -0.021 0.019 0.443 172 R N -3.322 117.139 120.500 -0.064 0.000 2.254 172 R HA 0.017 4.309 4.340 -0.080 0.000 0.195 172 R C 0.519 176.796 176.300 -0.039 0.000 0.957 172 R CA 0.096 56.158 56.100 -0.064 0.000 1.024 172 R CB 0.861 31.121 30.300 -0.066 0.000 0.952 172 R HN -0.529 7.709 8.270 -0.054 0.000 0.484 173 G N 0.212 108.997 108.800 -0.026 0.000 3.445 173 G HA2 -0.217 3.740 3.960 -0.005 0.000 0.686 173 G HA3 -0.217 3.735 3.960 -0.013 0.000 0.686 173 G C -1.510 173.383 174.900 -0.012 0.000 1.113 173 G CA -0.421 44.671 45.100 -0.013 0.000 0.974 173 G HN -0.229 7.822 8.290 -0.026 0.224 0.492 174 K N 2.179 122.575 120.400 -0.006 0.000 3.417 174 K HA 0.048 4.365 4.320 -0.005 0.000 0.375 174 K C -1.577 175.022 176.600 -0.001 0.000 1.013 174 K CA -0.560 55.724 56.287 -0.006 0.000 0.769 174 K CB 2.292 34.786 32.500 -0.010 0.000 1.443 174 K HN -0.119 8.130 8.250 -0.002 0.000 0.474 175 K N 0.222 120.621 120.400 -0.002 0.000 2.087 175 K HA 0.187 4.509 4.320 0.002 0.000 0.255 175 K C -0.987 175.613 176.600 -0.001 0.000 0.988 175 K CA -0.682 55.605 56.287 -0.000 0.000 0.915 175 K CB 0.650 33.149 32.500 -0.002 0.000 1.043 175 K HN -0.017 8.230 8.250 -0.005 0.000 0.457 176 L N -0.209 121.015 121.223 0.001 0.000 2.319 176 L HA 0.188 4.526 4.340 -0.002 0.000 0.267 176 L C 0.540 177.408 176.870 -0.003 0.000 1.011 176 L CA -1.121 53.719 54.840 -0.000 0.000 0.818 176 L CB 2.197 44.259 42.059 0.005 0.000 1.316 176 L HN 0.122 8.353 8.230 0.003 0.000 0.432 177 K N 1.463 121.859 120.400 -0.007 0.000 2.098 177 K HA 0.292 4.607 4.320 -0.009 0.000 0.244 177 K C -0.451 176.143 176.600 -0.010 0.000 1.014 177 K CA -1.774 54.507 56.287 -0.010 0.000 0.917 177 K CB 0.026 32.517 32.500 -0.015 0.000 1.072 177 K HN 0.206 8.452 8.250 -0.008 0.000 0.477 178 P HA -0.155 4.260 4.420 -0.008 0.000 0.216 178 P C 1.192 178.481 177.300 -0.018 0.000 1.153 178 P CA 2.317 65.410 63.100 -0.012 0.000 0.844 178 P CB 0.178 31.871 31.700 -0.012 0.000 0.787 179 E N -1.386 118.799 120.200 -0.026 0.000 2.072 179 E HA -0.148 4.179 4.350 -0.038 0.000 0.190 179 E C 2.248 178.821 176.600 -0.045 0.000 0.982 179 E CA 2.575 58.951 56.400 -0.039 0.000 0.803 179 E CB -0.662 29.009 29.700 -0.048 0.000 0.755 179 E HN 0.334 8.679 8.360 -0.024 0.000 0.453 180 I N -0.578 119.969 120.570 -0.037 0.000 2.286 180 I HA -0.328 3.812 4.170 -0.050 0.000 0.248 180 I C 1.857 177.964 176.117 -0.017 0.000 1.115 180 I CA 1.626 62.907 61.300 -0.033 0.000 1.392 180 I CB -1.499 36.487 38.000 -0.023 0.000 1.065 180 I HN -0.209 7.982 8.210 -0.031 0.000 0.418 181 K N 0.683 121.078 120.400 -0.009 0.000 2.044 181 K HA -0.365 3.961 4.320 0.011 0.000 0.210 181 K C 2.526 179.130 176.600 0.007 0.000 1.049 181 K CA 4.023 60.312 56.287 0.003 0.000 0.927 181 K CB -0.467 32.035 32.500 0.003 0.000 0.713 181 K HN -0.154 8.077 8.250 -0.012 0.012 0.443 182 G N -2.947 105.850 108.800 -0.004 0.000 2.394 182 G HA2 -0.205 3.761 3.960 0.010 0.000 0.215 182 G HA3 -0.205 3.749 3.960 -0.010 0.000 0.215 182 G C 1.618 176.519 174.900 0.001 0.000 1.165 182 G CA 1.456 46.555 45.100 -0.001 0.000 0.784 182 G HN -0.504 7.776 8.290 -0.013 0.002 0.535 183 K N 1.857 122.242 120.400 -0.026 0.000 2.032 183 K HA -0.255 4.044 4.320 -0.035 0.000 0.209 183 K C 2.103 178.723 176.600 0.034 0.000 1.048 183 K CA 2.880 59.148 56.287 -0.032 0.000 0.927 183 K CB -0.176 32.259 32.500 -0.108 0.000 0.712 183 K HN -0.603 7.557 8.250 -0.040 0.066 0.441 184 L N -2.994 118.247 121.223 0.029 0.000 2.240 184 L HA -0.030 4.349 4.340 0.066 0.000 0.211 184 L C 1.926 178.844 176.870 0.079 0.000 1.106 184 L CA 1.320 56.193 54.840 0.056 0.000 0.793 184 L CB -0.079 42.005 42.059 0.041 0.000 0.927 184 L HN 0.297 8.426 8.230 0.010 0.108 0.446 185 S N 0.628 116.364 115.700 0.060 0.000 2.374 185 S HA -0.350 4.161 4.470 0.067 0.000 0.227 185 S C 1.604 176.251 174.600 0.079 0.000 1.037 185 S CA 2.980 61.218 58.200 0.063 0.000 1.024 185 S CB -0.269 62.957 63.200 0.043 0.000 0.861 185 S HN 0.068 8.279 8.310 0.042 0.124 0.456 186 R N -1.750 118.800 120.500 0.084 0.000 2.241 186 R HA -0.086 4.301 4.340 0.079 0.000 0.224 186 R C -0.521 175.855 176.300 0.127 0.000 1.101 186 R CA 1.324 57.481 56.100 0.096 0.000 0.995 186 R CB 0.320 30.682 30.300 0.104 0.000 0.870 186 R HN -0.575 7.733 8.270 0.076 0.008 0.463 187 L N -3.252 118.066 121.223 0.159 0.000 2.256 187 L HA 0.396 4.883 4.340 0.245 0.000 0.261 187 L C -1.871 175.154 176.870 0.258 0.000 1.022 187 L CA -1.414 53.580 54.840 0.257 0.000 0.828 187 L CB 2.557 44.808 42.059 0.320 0.000 1.374 187 L HN -0.427 7.678 8.230 0.138 0.208 0.436 188 R N -2.346 118.357 120.500 0.339 0.000 2.579 188 R HA 0.180 4.647 4.340 0.211 0.000 0.260 188 R C -1.152 175.157 176.300 0.016 0.000 1.103 188 R CA -0.540 55.673 56.100 0.188 0.000 0.942 188 R CB 2.221 32.587 30.300 0.110 0.000 1.251 188 R HN 0.018 8.582 8.270 0.490 0.000 0.450 189 L N 0.057 121.318 121.223 0.063 0.000 2.622 189 L HA 0.035 4.325 4.340 -0.085 0.000 0.233 189 L C -1.165 175.473 176.870 -0.388 0.000 1.156 189 L CA 0.917 55.681 54.840 -0.125 0.000 0.866 189 L CB -0.015 41.981 42.059 -0.105 0.000 0.980 189 L HN 0.391 8.682 8.230 0.103 0.000 0.448 190 F N -1.301 118.598 119.950 -0.086 0.000 2.438 190 F HA 0.383 4.873 4.527 -0.062 0.000 0.315 190 F C -1.246 174.488 175.800 -0.109 0.000 1.258 190 F CA -3.748 54.211 58.000 -0.069 0.000 1.180 190 F CB -0.868 38.127 39.000 -0.008 0.000 1.412 190 F HN -0.629 7.588 8.300 0.010 0.089 0.544 191 P HA -0.091 4.290 4.420 -0.065 0.000 0.216 191 P C -0.629 176.672 177.300 0.002 0.000 1.153 191 P CA 1.323 64.374 63.100 -0.082 0.000 0.844 191 P CB 0.312 31.872 31.700 -0.232 0.000 0.787 192 L N -4.556 116.687 121.223 0.034 0.000 2.910 192 L HA 0.295 4.651 4.340 0.027 0.000 0.252 192 L C -0.895 176.010 176.870 0.059 0.000 1.195 192 L CA -0.828 54.036 54.840 0.041 0.000 1.003 192 L CB 0.096 42.173 42.059 0.031 0.000 1.328 192 L HN -0.267 7.989 8.230 0.043 0.000 0.540 193 S N -2.225 113.528 115.700 0.089 0.000 2.685 193 S HA 0.254 4.694 4.470 -0.049 0.000 0.282 193 S C -1.995 172.505 174.600 -0.167 0.000 1.159 193 S CA -1.214 56.970 58.200 -0.027 0.000 0.833 193 S CB 2.028 65.243 63.200 0.024 0.000 1.151 193 S HN -0.871 7.332 8.310 0.138 0.190 0.485 194 S N 0.417 115.886 115.700 -0.384 0.000 2.575 194 S HA 0.206 4.522 4.470 -0.258 0.000 0.278 194 S C -1.303 172.997 174.600 -0.501 0.000 1.139 194 S CA -0.427 57.568 58.200 -0.341 0.000 0.954 194 S CB 1.581 64.691 63.200 -0.150 0.000 1.054 194 S HN 0.254 8.323 8.310 -0.402 0.000 0.483 195 S N 1.696 117.153 115.700 -0.406 0.000 2.578 195 S HA 0.205 4.559 4.470 -0.192 0.000 0.285 195 S C -1.801 172.778 174.600 -0.036 0.000 1.126 195 S CA 0.612 58.650 58.200 -0.270 0.000 0.878 195 S CB 1.066 63.998 63.200 -0.446 0.000 1.091 195 S HN -0.016 8.144 8.310 -0.249 0.000 0.450 196 A N 2.865 125.685 122.820 -0.000 0.000 2.602 196 A HA 0.335 4.705 4.320 0.082 0.000 0.290 196 A C -1.573 176.033 177.584 0.036 0.000 1.114 196 A CA -0.125 51.937 52.037 0.042 0.000 0.683 196 A CB 1.639 20.655 19.000 0.028 0.000 1.281 196 A HN 0.042 8.177 8.150 -0.025 0.000 0.416 197 E N -0.009 120.217 120.200 0.042 0.000 2.299 197 E HA 0.228 4.594 4.350 0.027 0.000 0.265 197 E C -0.965 175.650 176.600 0.024 0.000 0.911 197 E CA -0.399 56.021 56.400 0.033 0.000 0.789 197 E CB 1.278 31.002 29.700 0.039 0.000 1.246 197 E HN 0.119 8.508 8.360 0.049 0.000 0.427 198 K N 0.000 120.411 120.400 0.018 0.000 2.780 198 K HA 0.000 4.329 4.320 0.015 0.000 0.191 198 K CA 0.000 56.295 56.287 0.014 0.000 0.838 198 K CB 0.000 32.506 32.500 0.010 0.000 1.064 198 K HN 0.000 8.261 8.250 0.018 0.000 0.543