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 2kqu_1_A DATA FIRST_RESID 1 DATA SEQUENCE AKKIGLFYGT QTGKTESVAE IIRDEFGNDV VTLHDVSQAE VTDLNDYQYL DATA SEQUENCE IIGCPTWNIG ELQSDWEGLY SELDDVDFNG KLVAYFGTGD QIGYADNNQD DATA SEQUENCE AIGILEEKIS QRGGKTVGYW STDGYDFNDS KALRNGKFVG LALDEDNQSD DATA SEQUENCE LTDDRIKSWV AQLKSEFGL 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 A HA 0.000 4.317 4.320 -0.004 0.000 0.244 1 A C 0.000 177.526 177.584 -0.097 0.000 1.274 1 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 1 A CB 0.000 18.982 19.000 -0.029 0.000 0.831 2 K N 0.225 120.518 120.400 -0.179 0.000 2.530 2 K HA -0.168 3.808 4.320 -0.574 0.000 0.280 2 K C -1.077 175.349 176.600 -0.290 0.000 1.004 2 K CA 0.794 56.889 56.287 -0.320 0.000 1.071 2 K CB 0.286 32.664 32.500 -0.202 0.000 0.876 2 K HN -0.116 8.057 8.250 -0.128 0.000 0.487 3 K N 2.767 122.923 120.400 -0.407 0.000 2.911 3 K HA 0.006 4.144 4.320 -0.304 0.000 0.239 3 K C -1.917 174.547 176.600 -0.226 0.000 1.371 3 K CA -0.171 55.924 56.287 -0.320 0.000 0.872 3 K CB 0.476 32.758 32.500 -0.363 0.000 1.322 3 K HN 0.047 7.882 8.250 -0.691 0.000 0.527 4 I N 0.025 120.439 120.570 -0.260 0.000 2.581 4 I HA 0.181 4.558 4.170 0.048 -0.178 0.288 4 I C -0.319 175.761 176.117 -0.061 0.000 1.047 4 I CA -0.622 60.600 61.300 -0.131 0.000 1.374 4 I CB 1.122 39.014 38.000 -0.180 0.000 1.423 4 I HN -0.098 7.915 8.210 -0.327 0.000 0.549 5 G N 1.836 110.731 108.800 0.160 0.000 2.680 5 G HA2 0.811 4.940 3.960 0.196 0.000 0.290 5 G HA3 0.811 5.138 3.960 0.559 -0.031 0.290 5 G C -2.595 172.564 174.900 0.431 0.000 1.355 5 G CA -1.023 44.275 45.100 0.331 0.000 0.903 5 G HN -0.129 8.286 8.290 0.208 0.000 0.474 6 L N -2.399 119.114 121.223 0.483 0.000 2.404 6 L HA 0.430 5.273 4.340 0.491 -0.208 0.272 6 L C -1.849 175.292 176.870 0.452 0.000 0.980 6 L CA -0.388 54.732 54.840 0.467 0.000 0.836 6 L CB 1.359 43.621 42.059 0.337 0.000 1.238 6 L HN 0.314 8.662 8.230 0.385 0.113 0.408 7 F N 1.335 121.384 119.950 0.166 0.000 2.518 7 F HA 0.486 4.849 4.527 -0.274 0.000 0.323 7 F C -1.262 174.510 175.800 -0.046 0.000 1.129 7 F CA -0.839 57.137 58.000 -0.040 0.000 0.920 7 F CB 3.585 42.580 39.000 -0.007 0.000 1.160 7 F HN 0.179 8.833 8.300 0.590 0.000 0.440 8 Y N 0.934 120.997 120.300 -0.394 0.000 2.693 8 Y HA 0.413 4.883 4.550 -0.132 0.000 0.331 8 Y C -1.460 174.310 175.900 -0.218 0.000 1.092 8 Y CA -2.720 55.223 58.100 -0.262 0.000 1.131 8 Y CB 1.711 40.006 38.460 -0.276 0.000 1.318 8 Y HN -0.059 7.114 8.280 -1.845 0.000 0.510 9 G N -2.180 106.590 108.800 -0.050 0.000 4.552 9 G HA2 0.070 3.847 3.960 -0.306 0.000 0.281 9 G HA3 0.070 3.826 3.960 -0.340 0.000 0.281 9 G C -0.773 174.103 174.900 -0.040 0.000 1.037 9 G CA 0.363 45.340 45.100 -0.205 0.000 0.806 9 G HN 0.323 8.644 8.290 0.052 0.000 0.495 10 T N -0.895 113.730 114.554 0.120 0.000 2.762 10 T HA 0.173 4.583 4.350 0.100 0.000 0.301 10 T C -0.715 174.092 174.700 0.179 0.000 1.299 10 T CA -0.845 61.323 62.100 0.114 0.000 1.005 10 T CB 2.324 71.217 68.868 0.042 0.000 1.377 10 T HN -0.695 7.709 8.240 0.274 0.000 0.504 11 Q N 0.121 119.983 119.800 0.103 0.000 3.159 11 Q HA -0.029 4.394 4.340 0.139 0.000 0.197 11 Q C 0.310 176.327 176.000 0.028 0.000 1.171 11 Q CA 1.128 56.983 55.803 0.088 0.000 1.232 11 Q CB 0.602 29.367 28.738 0.046 0.000 1.363 11 Q HN 0.290 8.604 8.270 0.074 0.000 0.699 12 T N -0.254 114.300 114.554 0.000 0.000 3.397 12 T HA 0.095 4.343 4.350 -0.170 0.000 0.197 12 T C 0.238 174.894 174.700 -0.073 0.000 0.837 12 T CA 0.650 62.706 62.100 -0.073 0.000 2.001 12 T CB 0.333 69.181 68.868 -0.034 0.000 1.845 12 T HN 0.208 8.464 8.240 0.026 0.000 0.444 13 G N 0.041 108.818 108.800 -0.038 0.000 2.637 13 G HA2 0.031 3.970 3.960 -0.035 0.000 0.112 13 G HA3 0.031 3.976 3.960 -0.024 0.000 0.112 13 G C -1.629 173.262 174.900 -0.016 0.000 1.181 13 G CA 0.243 45.326 45.100 -0.029 0.000 1.150 13 G HN -0.293 7.983 8.290 -0.024 0.000 0.561 14 K N -0.227 120.165 120.400 -0.013 0.000 2.592 14 K HA 0.197 4.512 4.320 -0.008 0.000 0.203 14 K C -0.758 175.834 176.600 -0.013 0.000 1.070 14 K CA -0.130 56.150 56.287 -0.011 0.000 1.062 14 K CB 0.379 32.873 32.500 -0.010 0.000 0.814 14 K HN -0.116 8.126 8.250 -0.013 0.000 0.502 15 T N 1.130 115.674 114.554 -0.016 0.000 2.925 15 T HA 0.122 4.461 4.350 -0.018 0.000 0.285 15 T C 0.803 175.495 174.700 -0.013 0.000 1.021 15 T CA -0.983 61.106 62.100 -0.018 0.000 1.042 15 T CB 1.059 69.911 68.868 -0.028 0.000 1.037 15 T HN -0.635 7.542 8.240 -0.017 0.054 0.481 16 E N 3.146 123.339 120.200 -0.011 0.000 1.969 16 E HA -0.054 4.293 4.350 -0.005 0.000 0.204 16 E C -0.160 176.438 176.600 -0.003 0.000 0.982 16 E CA 1.695 58.092 56.400 -0.006 0.000 0.871 16 E CB 0.467 30.163 29.700 -0.006 0.000 0.815 16 E HN 0.318 8.670 8.360 -0.013 0.000 0.527 17 S N -1.857 113.843 115.700 -0.001 0.000 2.112 17 S HA 0.163 4.636 4.470 0.005 0.000 0.151 17 S C -0.061 174.544 174.600 0.008 0.000 1.723 17 S CA -0.827 57.377 58.200 0.006 0.000 1.263 17 S CB 0.171 63.379 63.200 0.013 0.000 1.194 17 S HN 0.039 8.349 8.310 -0.001 0.000 0.419 18 V N 4.417 124.327 119.914 -0.007 0.000 2.392 18 V HA -0.465 3.649 4.120 -0.011 0.000 0.249 18 V C 0.371 176.479 176.094 0.024 0.000 1.059 18 V CA 3.476 65.769 62.300 -0.012 0.000 1.051 18 V CB 0.323 32.114 31.823 -0.053 0.000 0.658 18 V HN 0.263 8.443 8.190 -0.017 0.000 0.455 19 A N -3.146 119.691 122.820 0.028 0.000 1.986 19 A HA -0.358 4.015 4.320 0.088 0.000 0.220 19 A C 2.212 179.842 177.584 0.077 0.000 1.171 19 A CA 3.075 55.150 52.037 0.063 0.000 0.640 19 A CB -1.007 18.026 19.000 0.055 0.000 0.811 19 A HN 0.211 8.363 8.150 0.010 0.004 0.451 20 E N -1.643 118.591 120.200 0.057 0.000 2.046 20 E HA -0.267 4.120 4.350 0.061 0.000 0.190 20 E C 2.261 178.906 176.600 0.075 0.000 0.982 20 E CA 2.450 58.885 56.400 0.059 0.000 0.800 20 E CB -0.233 29.492 29.700 0.041 0.000 0.756 20 E HN -0.239 7.996 8.360 0.041 0.150 0.449 21 I N 0.229 120.838 120.570 0.065 0.000 2.099 21 I HA -0.408 3.800 4.170 0.065 0.000 0.239 21 I C 2.185 178.371 176.117 0.115 0.000 1.066 21 I CA 3.347 64.688 61.300 0.069 0.000 1.324 21 I CB -0.389 37.633 38.000 0.037 0.000 1.037 21 I HN -0.740 7.426 8.210 0.048 0.073 0.401 22 I N -0.398 120.263 120.570 0.152 0.000 2.264 22 I HA -0.529 3.789 4.170 0.247 0.000 0.248 22 I C 0.845 177.179 176.117 0.362 0.000 1.111 22 I CA 3.120 64.587 61.300 0.278 0.000 1.382 22 I CB -0.040 38.178 38.000 0.363 0.000 1.060 22 I HN 0.388 8.670 8.210 0.120 0.000 0.418 23 R N 0.425 121.067 120.500 0.237 0.000 2.081 23 R HA -0.375 4.088 4.340 0.205 0.000 0.235 23 R C 1.990 178.401 176.300 0.184 0.000 1.131 23 R CA 3.382 59.595 56.100 0.188 0.000 0.960 23 R CB -0.838 29.521 30.300 0.098 0.000 0.856 23 R HN -0.349 7.826 8.270 0.173 0.199 0.436 24 D N -2.459 118.026 120.400 0.141 0.000 2.312 24 D HA -0.133 4.569 4.640 0.103 0.000 0.211 24 D C 1.785 178.155 176.300 0.117 0.000 0.964 24 D CA 2.883 56.949 54.000 0.111 0.000 0.877 24 D CB 0.179 41.029 40.800 0.083 0.000 0.924 24 D HN 0.066 8.326 8.370 0.126 0.186 0.515 25 E N -0.216 120.069 120.200 0.142 0.000 2.051 25 E HA -0.219 4.166 4.350 0.058 0.000 0.189 25 E C 2.266 178.912 176.600 0.078 0.000 0.979 25 E CA 1.650 58.102 56.400 0.087 0.000 0.803 25 E CB -0.098 29.639 29.700 0.061 0.000 0.761 25 E HN -0.171 8.124 8.360 0.178 0.172 0.451 26 F N -2.076 117.901 119.950 0.044 0.000 2.346 26 F HA -0.403 4.136 4.527 0.021 0.000 0.301 26 F C 1.475 177.293 175.800 0.030 0.000 1.070 26 F CA 3.101 61.122 58.000 0.035 0.000 1.407 26 F CB 0.345 39.376 39.000 0.051 0.000 1.072 26 F HN 0.180 8.645 8.300 0.448 0.104 0.543 27 G N -2.233 106.684 108.800 0.195 0.000 5.045 27 G HA2 -0.558 3.459 3.960 0.096 0.000 0.229 27 G HA3 -0.558 3.467 3.960 0.108 0.000 0.229 27 G C 0.111 175.078 174.900 0.113 0.000 1.440 27 G CA 0.364 45.538 45.100 0.124 0.000 0.936 27 G HN -0.413 7.830 8.290 0.191 0.162 0.690 28 N N 2.436 121.208 118.700 0.121 0.000 2.256 28 N HA -0.105 4.666 4.740 0.052 0.000 0.252 28 N C -0.554 174.987 175.510 0.052 0.000 1.274 28 N CA 0.254 53.346 53.050 0.069 0.000 0.872 28 N CB 0.331 38.848 38.487 0.050 0.000 0.982 28 N HN -0.293 8.140 8.380 0.154 0.040 0.445 29 D N -2.641 117.763 120.400 0.006 0.000 2.441 29 D HA 0.075 4.720 4.640 0.008 0.000 0.210 29 D C -0.623 175.635 176.300 -0.071 0.000 1.102 29 D CA 0.451 54.442 54.000 -0.015 0.000 0.840 29 D CB 1.022 41.813 40.800 -0.016 0.000 0.990 29 D HN 0.165 8.530 8.370 -0.009 0.000 0.505 30 V N -1.634 118.213 119.914 -0.111 0.000 2.546 30 V HA -0.267 3.739 4.120 -0.189 0.000 0.279 30 V C -1.803 174.107 176.094 -0.307 0.000 0.968 30 V CA 1.277 63.449 62.300 -0.214 0.000 1.157 30 V CB -0.951 30.726 31.823 -0.243 0.000 0.938 30 V HN -0.533 7.613 8.190 -0.073 0.000 0.464 31 V N 6.862 126.658 119.914 -0.198 0.000 2.722 31 V HA 0.207 4.188 4.120 -0.232 0.000 0.260 31 V C -1.353 174.711 176.094 -0.050 0.000 0.941 31 V CA -0.432 61.779 62.300 -0.148 0.000 0.888 31 V CB 1.949 33.723 31.823 -0.082 0.000 1.059 31 V HN -0.442 7.658 8.190 -0.150 0.000 0.486 32 T N 4.876 119.428 114.554 -0.005 0.000 2.947 32 T HA 0.346 4.743 4.350 0.078 0.000 0.337 32 T C -0.939 173.878 174.700 0.196 0.000 1.139 32 T CA -1.559 60.610 62.100 0.115 0.000 0.992 32 T CB 0.168 69.121 68.868 0.142 0.000 1.043 32 T HN 0.143 8.366 8.240 -0.028 0.000 0.498 33 L N 3.003 124.266 121.223 0.067 0.000 2.400 33 L HA 0.689 5.304 4.340 -0.013 -0.283 0.264 33 L C 1.459 178.102 176.870 -0.379 0.000 1.061 33 L CA -2.057 52.758 54.840 -0.041 0.000 0.799 33 L CB 1.298 43.428 42.059 0.118 0.000 1.240 33 L HN 0.157 8.421 8.230 0.056 0.000 0.461 34 H N -1.223 117.297 119.070 -0.917 0.000 2.556 34 H HA -0.195 3.588 4.556 -1.288 0.000 0.268 34 H C -0.110 174.934 175.328 -0.472 0.000 0.996 34 H CA -0.034 55.366 56.048 -1.079 0.000 1.157 34 H CB -0.611 28.442 29.762 -1.181 0.000 1.355 34 H HN 0.023 8.015 8.280 -0.479 0.000 0.597 35 D N -0.216 120.164 120.400 -0.033 0.000 2.244 35 D HA -0.332 4.271 4.640 -0.062 0.000 0.197 35 D C 1.290 177.489 176.300 -0.168 0.000 1.006 35 D CA 3.379 57.340 54.000 -0.065 0.000 0.888 35 D CB -0.506 40.317 40.800 0.038 0.000 0.912 35 D HN 0.251 8.587 8.370 0.082 0.083 0.452 36 V N -0.038 119.787 119.914 -0.150 0.000 3.099 36 V HA 0.026 4.098 4.120 -0.079 0.000 0.387 36 V C -0.170 175.843 176.094 -0.136 0.000 1.358 36 V CA -2.193 60.048 62.300 -0.098 0.000 1.528 36 V CB -0.852 30.958 31.823 -0.023 0.000 1.342 36 V HN -0.684 7.393 8.190 -0.145 0.026 0.513 37 S N 2.479 118.029 115.700 -0.250 0.000 2.462 37 S HA -0.296 4.032 4.470 -0.236 0.000 0.243 37 S C 0.838 175.378 174.600 -0.101 0.000 1.003 37 S CA 2.738 60.794 58.200 -0.239 0.000 0.970 37 S CB 0.023 63.020 63.200 -0.338 0.000 0.762 37 S HN -0.414 7.609 8.310 -0.319 0.095 0.510 38 Q N -0.701 119.052 119.800 -0.078 0.000 2.488 38 Q HA -0.070 4.247 4.340 -0.039 0.000 0.211 38 Q C -0.569 175.421 176.000 -0.017 0.000 0.967 38 Q CA 0.564 56.343 55.803 -0.040 0.000 0.926 38 Q CB 0.386 29.105 28.738 -0.032 0.000 0.992 38 Q HN 0.086 8.252 8.270 -0.090 0.049 0.506 39 A N -0.287 122.527 122.820 -0.009 0.000 2.420 39 A HA 0.365 4.693 4.320 0.015 0.000 0.291 39 A C -1.521 176.081 177.584 0.030 0.000 1.228 39 A CA -0.686 51.362 52.037 0.018 0.000 0.933 39 A CB 2.022 21.047 19.000 0.041 0.000 1.428 39 A HN 0.104 8.040 8.150 -0.026 0.199 0.493 40 E N -2.362 117.861 120.200 0.040 0.000 2.232 40 E HA 0.318 4.690 4.350 0.036 0.000 0.265 40 E C 1.229 177.865 176.600 0.061 0.000 1.001 40 E CA -1.602 54.820 56.400 0.037 0.000 0.870 40 E CB 2.090 31.799 29.700 0.015 0.000 1.175 40 E HN 0.310 8.693 8.360 0.039 0.000 0.407 41 V N 3.036 122.976 119.914 0.043 0.000 3.078 41 V HA -0.219 3.968 4.120 0.113 0.000 0.265 41 V C 1.043 177.103 176.094 -0.057 0.000 1.122 41 V CA 2.687 64.999 62.300 0.020 0.000 1.141 41 V CB -0.056 31.751 31.823 -0.027 0.000 0.735 41 V HN 0.627 8.834 8.190 0.028 0.000 0.498 42 T N 0.341 114.867 114.554 -0.046 0.000 2.849 42 T HA -0.342 3.951 4.350 -0.095 0.000 0.270 42 T C 1.540 176.130 174.700 -0.182 0.000 1.066 42 T CA 4.236 66.284 62.100 -0.088 0.000 1.130 42 T CB -0.292 68.547 68.868 -0.048 0.000 0.864 42 T HN -0.098 8.071 8.240 -0.017 0.061 0.481 43 D N 0.764 121.087 120.400 -0.128 0.000 2.092 43 D HA -0.316 4.220 4.640 -0.174 0.000 0.193 43 D C 2.175 177.964 176.300 -0.852 0.000 0.994 43 D CA 4.302 58.176 54.000 -0.210 0.000 0.828 43 D CB 0.151 41.045 40.800 0.155 0.000 0.963 43 D HN -0.374 7.856 8.370 -0.020 0.128 0.450 44 L N -6.065 114.842 121.223 -0.527 0.000 2.313 44 L HA -0.072 3.824 4.340 -0.740 0.000 0.214 44 L C 0.891 177.500 176.870 -0.435 0.000 1.119 44 L CA 1.870 56.318 54.840 -0.653 0.000 0.809 44 L CB -0.782 40.661 42.059 -1.027 0.000 0.933 44 L HN -0.718 7.355 8.230 -0.261 0.000 0.449 45 N N -2.281 116.241 118.700 -0.296 0.000 2.223 45 N HA -0.277 4.574 4.740 0.185 0.000 0.185 45 N C 0.976 176.327 175.510 -0.265 0.000 1.016 45 N CA 2.610 55.593 53.050 -0.112 0.000 0.863 45 N CB 0.025 38.462 38.487 -0.083 0.000 0.983 45 N HN -0.399 7.656 8.380 -0.300 0.145 0.429 46 D N -1.609 118.521 120.400 -0.449 0.000 2.149 46 D HA -0.122 4.428 4.640 -0.151 0.000 0.201 46 D C 0.225 176.470 176.300 -0.092 0.000 0.972 46 D CA 2.835 56.671 54.000 -0.273 0.000 0.835 46 D CB 0.752 41.425 40.800 -0.211 0.000 0.966 46 D HN -0.321 7.531 8.370 -0.659 0.123 0.476 47 Y N -2.879 117.340 120.300 -0.136 0.000 2.320 47 Y HA 0.041 4.504 4.550 -0.145 0.000 0.324 47 Y C -0.726 174.785 175.900 -0.649 0.000 1.190 47 Y CA -1.875 56.095 58.100 -0.217 0.000 1.215 47 Y CB 0.337 38.799 38.460 0.004 0.000 1.221 47 Y HN -0.953 6.611 8.280 -1.027 0.100 0.486 48 Q N -1.424 117.686 119.800 -1.151 0.000 2.268 48 Q HA 0.213 3.809 4.340 -1.240 0.000 0.289 48 Q C -1.748 173.354 176.000 -1.495 0.000 0.893 48 Q CA -0.382 54.573 55.803 -1.414 0.000 1.057 48 Q CB 0.151 28.195 28.738 -1.156 0.000 1.173 48 Q HN 0.301 7.572 8.270 -1.665 0.000 0.449 49 Y N -3.663 116.467 120.300 -0.285 0.000 2.298 49 Y HA 0.885 5.486 4.550 -0.354 -0.262 0.322 49 Y C -1.903 173.922 175.900 -0.125 0.000 1.138 49 Y CA -2.192 55.724 58.100 -0.306 0.000 1.127 49 Y CB 1.825 40.038 38.460 -0.412 0.000 1.178 49 Y HN -0.412 7.540 8.280 -0.424 0.074 0.428 50 L N 0.273 121.541 121.223 0.076 0.000 2.359 50 L HA 0.867 5.482 4.340 0.248 -0.126 0.256 50 L C -1.402 175.611 176.870 0.238 0.000 1.026 50 L CA -1.644 53.312 54.840 0.193 0.000 0.828 50 L CB 5.587 47.737 42.059 0.152 0.000 1.406 50 L HN 0.403 8.651 8.230 0.030 0.000 0.413 51 I N -0.773 119.988 120.570 0.318 0.000 2.509 51 I HA 0.605 5.116 4.170 0.300 -0.161 0.293 51 I C -0.861 175.402 176.117 0.244 0.000 1.020 51 I CA -0.933 60.575 61.300 0.346 0.000 1.088 51 I CB 2.822 41.139 38.000 0.528 0.000 1.267 51 I HN 0.083 8.521 8.210 0.379 0.000 0.430 52 I N -1.559 119.057 120.570 0.076 0.000 3.023 52 I HA 0.738 5.125 4.170 0.086 -0.164 0.312 52 I C -0.308 175.951 176.117 0.236 0.000 1.056 52 I CA -3.194 58.072 61.300 -0.057 0.000 1.033 52 I CB 2.889 40.523 38.000 -0.611 0.000 1.233 52 I HN 0.614 8.728 8.210 0.032 0.115 0.462 53 G N 0.018 108.981 108.800 0.272 0.000 2.760 53 G HA2 0.039 4.246 3.960 0.411 0.000 0.214 53 G HA3 0.039 3.970 3.960 -0.048 0.000 0.214 53 G C -1.339 173.734 174.900 0.289 0.000 1.212 53 G CA 0.122 45.363 45.100 0.234 0.000 0.858 53 G HN 0.477 8.876 8.290 0.180 0.000 0.611 54 C N -1.871 117.540 119.300 0.185 0.000 2.898 54 C HA 0.521 4.893 4.460 -0.147 0.000 0.304 54 C C -1.808 173.204 174.990 0.036 0.000 1.237 54 C CA -3.220 55.795 59.018 -0.005 0.000 1.529 54 C CB 2.226 29.874 27.740 -0.154 0.000 2.021 54 C HN -0.159 8.146 8.230 0.125 0.000 0.474 55 P HA 0.165 4.594 4.420 0.015 0.000 0.274 55 P C -0.196 176.848 177.300 -0.428 0.000 1.246 55 P CA -0.379 62.599 63.100 -0.204 0.000 0.795 55 P CB 0.548 32.068 31.700 -0.300 0.000 1.006 56 T N -1.370 113.002 114.554 -0.304 0.000 2.754 56 T HA -0.026 4.156 4.350 -0.280 0.000 0.286 56 T C 0.668 175.112 174.700 -0.426 0.000 0.997 56 T CA -0.363 61.565 62.100 -0.287 0.000 0.982 56 T CB 0.588 69.396 68.868 -0.101 0.000 1.027 56 T HN -0.004 8.129 8.240 -0.179 0.000 0.529 57 W N 1.259 122.554 121.300 -0.008 0.000 2.313 57 W HA 0.157 4.806 4.660 -0.018 0.000 0.315 57 W C -0.919 175.577 176.519 -0.038 0.000 0.917 57 W CA -0.764 56.569 57.345 -0.020 0.000 1.626 57 W CB 0.129 29.578 29.460 -0.018 0.000 1.574 57 W HN -0.056 8.192 8.180 0.114 0.000 0.395 58 N N 3.149 121.923 118.700 0.124 0.000 2.607 58 N HA 0.243 5.001 4.740 0.029 0.000 0.271 58 N C -1.192 174.331 175.510 0.021 0.000 1.142 58 N CA 0.115 53.188 53.050 0.037 0.000 0.810 58 N CB 1.706 40.185 38.487 -0.012 0.000 1.306 58 N HN 0.099 8.521 8.380 0.069 0.000 0.536 59 I N 0.870 121.459 120.570 0.031 0.000 2.797 59 I HA 0.260 4.448 4.170 0.031 0.000 0.310 59 I C 0.289 176.397 176.117 -0.015 0.000 0.990 59 I CA 0.172 61.488 61.300 0.027 0.000 1.228 59 I CB 1.388 39.425 38.000 0.062 0.000 1.406 59 I HN -0.046 8.184 8.210 0.033 0.000 0.534 60 G N 3.304 112.103 108.800 -0.001 0.000 2.351 60 G HA2 -0.008 3.950 3.960 -0.002 0.000 0.296 60 G HA3 -0.008 3.937 3.960 -0.025 0.000 0.296 60 G C -1.803 173.101 174.900 0.006 0.000 1.685 60 G CA -0.104 44.992 45.100 -0.007 0.000 0.936 60 G HN 0.179 8.477 8.290 0.013 0.000 0.714 61 E N 0.927 121.136 120.200 0.015 0.000 2.526 61 E HA 0.099 4.457 4.350 0.014 0.000 0.208 61 E C 0.050 176.663 176.600 0.021 0.000 0.997 61 E CA 0.055 56.466 56.400 0.018 0.000 0.961 61 E CB 0.832 30.546 29.700 0.024 0.000 1.030 61 E HN 0.315 8.686 8.360 0.018 0.000 0.483 62 L N -1.892 119.346 121.223 0.024 0.000 1.509 62 L HA 0.037 4.394 4.340 0.028 0.000 0.076 62 L C -1.187 175.709 176.870 0.043 0.000 1.566 62 L CA 0.437 55.296 54.840 0.032 0.000 1.065 62 L CB 1.363 43.443 42.059 0.035 0.000 2.100 62 L HN -0.600 7.600 8.230 0.022 0.043 0.434 63 Q N 1.142 120.977 119.800 0.059 0.000 2.325 63 Q HA 0.261 4.662 4.340 0.100 0.000 0.262 63 Q C -1.036 175.012 176.000 0.079 0.000 0.968 63 Q CA -0.275 55.587 55.803 0.097 0.000 0.877 63 Q CB 0.811 29.625 28.738 0.128 0.000 1.253 63 Q HN 0.096 8.399 8.270 0.056 0.000 0.448 64 S N 1.825 117.542 115.700 0.027 0.000 5.037 64 S HA -0.018 4.362 4.470 -0.149 0.000 0.158 64 S C -1.575 172.727 174.600 -0.496 0.000 1.095 64 S CA 0.696 58.786 58.200 -0.183 0.000 1.338 64 S CB 1.596 64.711 63.200 -0.142 0.000 1.762 64 S HN 0.374 8.717 8.310 0.055 0.000 0.498 65 D N 3.544 123.804 120.400 -0.233 0.000 2.382 65 D HA -0.065 4.385 4.640 -0.318 0.000 0.259 65 D C 0.284 176.578 176.300 -0.010 0.000 1.224 65 D CA 1.630 55.515 54.000 -0.192 0.000 0.894 65 D CB -0.180 40.585 40.800 -0.059 0.000 1.127 65 D HN 0.048 8.352 8.370 -0.111 0.000 0.487 66 W N 4.835 126.150 121.300 0.025 0.000 2.783 66 W HA 0.167 4.837 4.660 0.016 0.000 0.287 66 W C 0.101 176.630 176.519 0.017 0.000 1.085 66 W CA 0.342 57.698 57.345 0.019 0.000 1.646 66 W CB 0.225 29.696 29.460 0.018 0.000 1.135 66 W HN 0.471 8.556 8.180 -0.157 0.000 0.548 67 E N -3.169 117.181 120.200 0.249 0.000 2.447 67 E HA 0.265 4.682 4.350 0.113 0.000 0.279 67 E C -0.840 175.821 176.600 0.103 0.000 1.053 67 E CA -0.275 56.211 56.400 0.144 0.000 0.840 67 E CB 2.850 32.630 29.700 0.133 0.000 1.409 67 E HN -0.385 8.134 8.360 0.264 0.000 0.461 68 G N -0.597 108.249 108.800 0.076 0.000 2.866 68 G HA2 0.364 4.370 3.960 0.077 0.000 0.289 68 G HA3 0.364 4.370 3.960 0.077 0.000 0.289 68 G C -1.513 173.413 174.900 0.043 0.000 1.396 68 G CA -0.457 44.685 45.100 0.071 0.000 0.848 68 G HN -0.208 8.122 8.290 0.066 0.000 0.515 69 L N -0.510 120.734 121.223 0.034 0.000 2.472 69 L HA 0.287 4.589 4.340 -0.062 0.000 0.256 69 L C -2.103 174.646 176.870 -0.201 0.000 1.560 69 L CA 0.252 55.038 54.840 -0.089 0.000 0.805 69 L CB 0.133 42.103 42.059 -0.148 0.000 1.017 69 L HN 0.083 8.372 8.230 0.098 0.000 0.519 70 Y N -1.557 118.746 120.300 0.006 0.000 2.786 70 Y HA 0.164 4.715 4.550 0.001 0.000 0.365 70 Y C -1.260 174.635 175.900 -0.007 0.000 1.171 70 Y CA -0.296 57.805 58.100 0.003 0.000 1.214 70 Y CB 2.155 40.621 38.460 0.010 0.000 1.411 70 Y HN -0.442 7.893 8.280 0.092 0.000 0.485 71 S N 4.493 120.338 115.700 0.243 0.000 2.252 71 S HA 0.234 4.739 4.470 0.058 0.000 0.187 71 S C -1.406 173.227 174.600 0.055 0.000 1.587 71 S CA -0.026 58.232 58.200 0.096 0.000 1.215 71 S CB 0.140 63.380 63.200 0.066 0.000 1.085 71 S HN 0.261 8.783 8.310 0.352 0.000 0.466 72 E N 2.239 122.432 120.200 -0.013 0.000 2.232 72 E HA 0.363 4.714 4.350 0.001 0.000 0.265 72 E C 1.390 177.842 176.600 -0.248 0.000 1.001 72 E CA -1.281 55.072 56.400 -0.079 0.000 0.870 72 E CB 2.529 32.172 29.700 -0.095 0.000 1.175 72 E HN 0.074 8.427 8.360 -0.011 0.000 0.407 73 L N 0.308 121.292 121.223 -0.397 0.000 2.189 73 L HA -0.255 3.487 4.340 -0.995 0.000 0.214 73 L C -0.051 176.355 176.870 -0.773 0.000 1.097 73 L CA 3.263 57.584 54.840 -0.863 0.000 0.764 73 L CB -0.647 40.835 42.059 -0.961 0.000 0.900 73 L HN 0.572 8.626 8.230 -0.293 0.000 0.436 74 D N -3.640 116.517 120.400 -0.405 0.000 2.263 74 D HA -0.230 4.247 4.640 -0.271 0.000 0.208 74 D C 1.064 177.233 176.300 -0.219 0.000 0.971 74 D CA 2.569 56.412 54.000 -0.262 0.000 0.867 74 D CB -0.616 40.096 40.800 -0.147 0.000 0.929 74 D HN 0.156 8.317 8.370 -0.302 0.027 0.492 75 D N -2.187 118.078 120.400 -0.226 0.000 2.202 75 D HA 0.050 4.628 4.640 -0.104 0.000 0.214 75 D C 0.490 176.686 176.300 -0.174 0.000 0.967 75 D CA 1.783 55.694 54.000 -0.148 0.000 0.871 75 D CB 1.597 42.341 40.800 -0.094 0.000 1.020 75 D HN 0.013 8.038 8.370 -0.258 0.190 0.474 76 V N -0.130 119.622 119.914 -0.270 0.000 3.098 76 V HA -0.343 3.708 4.120 -0.116 0.000 0.298 76 V C 0.891 176.918 176.094 -0.111 0.000 1.200 76 V CA 2.357 64.530 62.300 -0.213 0.000 1.321 76 V CB 0.217 31.839 31.823 -0.334 0.000 0.947 76 V HN -0.723 7.262 8.190 -0.342 0.000 0.513 77 D N 6.046 126.453 120.400 0.011 0.000 3.032 77 D HA -0.032 4.617 4.640 0.015 0.000 0.241 77 D C -0.933 175.456 176.300 0.149 0.000 1.196 77 D CA 0.283 54.311 54.000 0.047 0.000 0.927 77 D CB -1.209 39.604 40.800 0.023 0.000 1.129 77 D HN 0.334 8.714 8.370 0.017 0.000 0.458 78 F N -0.079 119.811 119.950 -0.100 0.000 2.629 78 F HA -0.196 4.246 4.527 -0.141 0.000 0.377 78 F C -0.875 174.869 175.800 -0.094 0.000 1.101 78 F CA 1.515 59.444 58.000 -0.118 0.000 1.301 78 F CB 0.319 39.242 39.000 -0.128 0.000 1.062 78 F HN -0.679 7.654 8.300 0.206 0.091 0.583 79 N N 3.403 122.080 118.700 -0.037 0.000 2.371 79 N HA 0.031 4.767 4.740 -0.007 0.000 0.291 79 N C -0.786 174.653 175.510 -0.119 0.000 1.053 79 N CA -0.393 52.625 53.050 -0.054 0.000 0.870 79 N CB 3.554 42.010 38.487 -0.053 0.000 1.503 79 N HN -0.076 8.193 8.380 -0.185 0.000 0.485 80 G N 1.544 110.300 108.800 -0.074 0.000 2.247 80 G HA2 -0.385 3.592 3.960 -0.047 0.000 0.265 80 G HA3 -0.385 3.533 3.960 -0.070 0.000 0.265 80 G C -0.901 173.906 174.900 -0.154 0.000 0.861 80 G CA 1.159 46.210 45.100 -0.081 0.000 1.289 80 G HN 0.300 8.491 8.290 -0.036 0.078 0.403 81 K N 0.017 120.313 120.400 -0.173 0.000 2.378 81 K HA 0.343 4.465 4.320 -0.330 0.000 0.244 81 K C -1.939 174.576 176.600 -0.142 0.000 1.039 81 K CA -2.630 53.481 56.287 -0.294 0.000 0.863 81 K CB 2.707 34.849 32.500 -0.598 0.000 1.326 81 K HN -0.435 7.676 8.250 -0.103 0.077 0.460 82 L N -3.004 118.123 121.223 -0.161 0.000 2.295 82 L HA 0.724 5.238 4.340 0.050 -0.145 0.285 82 L C -1.452 175.414 176.870 -0.007 0.000 1.035 82 L CA -0.785 54.031 54.840 -0.040 0.000 0.806 82 L CB 1.686 43.689 42.059 -0.093 0.000 1.214 82 L HN 0.508 8.567 8.230 -0.284 0.000 0.426 83 V N 3.703 123.702 119.914 0.142 0.000 2.488 83 V HA 0.760 5.246 4.120 0.146 -0.278 0.293 83 V C -1.688 174.557 176.094 0.253 0.000 1.027 83 V CA -1.713 60.682 62.300 0.157 0.000 0.862 83 V CB 3.450 35.321 31.823 0.079 0.000 1.008 83 V HN 0.406 8.706 8.190 0.183 0.000 0.428 84 A N 8.175 131.204 122.820 0.348 0.000 2.260 84 A HA 0.361 4.935 4.320 0.233 -0.114 0.314 84 A C -1.865 175.909 177.584 0.317 0.000 1.257 84 A CA -1.862 50.347 52.037 0.287 0.000 0.871 84 A CB 1.976 21.069 19.000 0.156 0.000 1.166 84 A HN 0.528 8.910 8.150 0.386 0.000 0.522 85 Y N 4.225 124.720 120.300 0.324 0.000 2.376 85 Y HA 0.384 5.284 4.550 0.379 -0.122 0.325 85 Y C 1.143 177.392 175.900 0.583 0.000 1.199 85 Y CA -1.637 56.689 58.100 0.376 0.000 1.206 85 Y CB 2.675 41.264 38.460 0.214 0.000 1.229 85 Y HN 0.914 9.340 8.280 0.441 0.118 0.480 86 F N 3.370 123.642 119.950 0.537 0.000 2.082 86 F HA -0.496 3.956 4.527 -0.124 0.000 0.298 86 F C 0.447 176.351 175.800 0.173 0.000 1.091 86 F CA 3.937 62.021 58.000 0.140 0.000 1.230 86 F CB 0.591 39.586 39.000 -0.009 0.000 0.983 86 F HN 0.084 8.940 8.300 0.927 0.000 0.485 87 G N -3.926 105.087 108.800 0.354 0.000 2.436 87 G HA2 -0.222 3.878 3.960 0.169 0.000 0.205 87 G HA3 -0.222 3.834 3.960 0.176 0.009 0.205 87 G C -1.376 173.520 174.900 -0.006 0.000 1.188 87 G CA -0.420 44.782 45.100 0.170 0.000 1.267 87 G HN -0.108 8.403 8.290 0.366 -0.001 0.536 88 T N -0.678 113.865 114.554 -0.018 0.000 2.927 88 T HA 0.245 4.554 4.350 -0.069 0.000 0.286 88 T C -1.129 173.583 174.700 0.019 0.000 1.040 88 T CA -1.924 60.159 62.100 -0.030 0.000 1.010 88 T CB 2.727 71.597 68.868 0.003 0.000 1.177 88 T HN -0.133 8.102 8.240 -0.009 0.000 0.546 89 G N -0.528 108.289 108.800 0.028 0.000 4.259 89 G HA2 0.041 4.013 3.960 0.019 0.000 0.193 89 G HA3 0.041 4.028 3.960 0.045 0.000 0.193 89 G C -1.843 173.078 174.900 0.035 0.000 1.373 89 G CA 0.865 45.985 45.100 0.033 0.000 1.011 89 G HN 0.441 8.748 8.290 0.028 0.000 0.408 90 D N -0.738 119.684 120.400 0.037 0.000 2.926 90 D HA 0.043 4.714 4.640 0.052 0.000 0.234 90 D C -1.401 174.928 176.300 0.047 0.000 1.434 90 D CA 0.224 54.249 54.000 0.043 0.000 0.951 90 D CB 0.261 41.081 40.800 0.033 0.000 1.500 90 D HN -0.396 7.993 8.370 0.032 0.000 0.558 91 Q N 0.989 120.823 119.800 0.056 0.000 2.829 91 Q HA 0.280 4.660 4.340 0.068 0.000 0.296 91 Q C -2.284 173.764 176.000 0.079 0.000 0.893 91 Q CA -0.303 55.539 55.803 0.066 0.000 0.772 91 Q CB 2.025 30.802 28.738 0.065 0.000 1.489 91 Q HN -0.218 8.090 8.270 0.062 0.000 0.420 92 I N 0.127 120.753 120.570 0.095 0.000 2.586 92 I HA 0.425 4.669 4.170 0.123 0.000 0.288 92 I C -0.901 175.305 176.117 0.148 0.000 1.147 92 I CA 0.521 61.892 61.300 0.118 0.000 1.047 92 I CB 1.211 39.276 38.000 0.109 0.000 1.244 92 I HN 0.180 8.450 8.210 0.100 0.000 0.429 93 G N 9.421 118.318 108.800 0.162 0.000 3.764 93 G HA2 0.239 4.375 3.960 0.293 0.000 0.333 93 G HA3 0.239 4.272 3.960 0.121 0.000 0.333 93 G C -0.580 174.457 174.900 0.228 0.000 1.551 93 G CA 0.170 45.393 45.100 0.206 0.000 0.995 93 G HN 0.349 8.725 8.290 0.143 0.000 0.485 94 Y N 0.752 121.084 120.300 0.054 0.000 2.895 94 Y HA -0.230 4.355 4.550 0.058 0.000 0.334 94 Y C -0.860 175.066 175.900 0.044 0.000 1.261 94 Y CA -1.304 56.826 58.100 0.050 0.000 1.560 94 Y CB 0.246 38.731 38.460 0.042 0.000 1.253 94 Y HN -0.237 8.397 8.280 0.590 0.000 0.582 95 A N 5.574 128.305 122.820 -0.149 0.000 2.590 95 A HA -0.022 4.057 4.320 -0.400 0.000 0.296 95 A C -2.057 175.481 177.584 -0.078 0.000 1.050 95 A CA -0.795 51.104 52.037 -0.231 0.000 0.697 95 A CB 1.643 20.527 19.000 -0.194 0.000 1.277 95 A HN 0.239 8.395 8.150 0.010 0.000 0.411 96 D N 1.255 121.608 120.400 -0.077 0.000 2.487 96 D HA -0.185 4.448 4.640 -0.011 0.000 0.243 96 D C 0.992 177.291 176.300 -0.003 0.000 1.154 96 D CA 0.028 54.012 54.000 -0.026 0.000 0.876 96 D CB 0.463 41.248 40.800 -0.025 0.000 1.161 96 D HN 0.015 8.316 8.370 -0.116 0.000 0.478 97 N N 2.104 120.812 118.700 0.014 0.000 2.023 97 N HA -0.412 4.359 4.740 0.050 0.000 0.200 97 N C -0.036 175.493 175.510 0.032 0.000 1.048 97 N CA 2.290 55.358 53.050 0.031 0.000 0.872 97 N CB -0.047 38.452 38.487 0.021 0.000 1.070 97 N HN 0.560 8.947 8.380 0.012 0.000 0.441 98 N N -5.721 112.992 118.700 0.021 0.000 2.476 98 N HA -0.124 4.627 4.740 0.019 0.000 0.316 98 N C -1.032 174.487 175.510 0.014 0.000 0.663 98 N CA 0.133 53.196 53.050 0.022 0.000 0.597 98 N CB 0.281 38.788 38.487 0.033 0.000 2.414 98 N HN -0.189 8.199 8.380 0.014 0.000 1.255 99 Q N 2.240 122.048 119.800 0.012 0.000 2.388 99 Q HA -0.136 4.209 4.340 0.009 0.000 0.246 99 Q C -0.584 175.419 176.000 0.005 0.000 1.246 99 Q CA 1.103 56.911 55.803 0.008 0.000 0.895 99 Q CB -1.103 27.639 28.738 0.005 0.000 1.510 99 Q HN 0.033 8.311 8.270 0.013 0.000 0.503 100 D N 1.716 122.119 120.400 0.005 0.000 2.722 100 D HA 0.044 4.686 4.640 0.004 0.000 0.231 100 D C -1.550 174.752 176.300 0.003 0.000 1.218 100 D CA 0.656 54.658 54.000 0.004 0.000 0.753 100 D CB 2.304 43.105 40.800 0.002 0.000 1.471 100 D HN -0.557 7.816 8.370 0.006 0.000 0.455 101 A N 3.112 125.934 122.820 0.003 0.000 2.316 101 A HA 0.387 4.709 4.320 0.004 0.000 0.324 101 A C -0.963 176.624 177.584 0.004 0.000 1.375 101 A CA -0.431 51.608 52.037 0.004 0.000 0.882 101 A CB 0.203 19.205 19.000 0.004 0.000 1.152 101 A HN 0.414 8.566 8.150 0.004 0.000 0.512 102 I N 2.729 123.301 120.570 0.003 0.000 2.750 102 I HA -0.041 4.132 4.170 0.004 0.000 0.284 102 I C -0.634 175.484 176.117 0.002 0.000 1.498 102 I CA 0.268 61.570 61.300 0.003 0.000 1.078 102 I CB 1.295 39.297 38.000 0.003 0.000 1.423 102 I HN 0.289 8.500 8.210 0.002 0.000 0.423 103 G N 7.251 116.053 108.800 0.003 0.000 2.685 103 G HA2 -0.084 3.879 3.960 0.005 0.000 0.387 103 G HA3 -0.084 3.877 3.960 0.001 0.000 0.387 103 G C -1.649 173.253 174.900 0.004 0.000 1.324 103 G CA -0.674 44.428 45.100 0.003 0.000 0.878 103 G HN -0.160 8.133 8.290 0.005 0.000 0.527 104 I N 0.785 121.357 120.570 0.004 0.000 2.353 104 I HA 0.139 4.312 4.170 0.005 0.000 0.293 104 I C 1.042 177.161 176.117 0.004 0.000 0.992 104 I CA -0.499 60.804 61.300 0.004 0.000 1.268 104 I CB 1.002 39.005 38.000 0.006 0.000 1.387 104 I HN 0.076 8.288 8.210 0.004 0.000 0.478 105 L N 4.153 125.379 121.223 0.005 0.000 2.021 105 L HA -0.236 4.107 4.340 0.005 0.000 0.215 105 L C 0.436 177.309 176.870 0.005 0.000 1.074 105 L CA 2.051 56.894 54.840 0.005 0.000 0.760 105 L CB -0.747 41.316 42.059 0.007 0.000 0.889 105 L HN 0.177 8.410 8.230 0.005 0.000 0.433 106 E N -0.193 120.010 120.200 0.005 0.000 2.868 106 E HA -0.410 3.943 4.350 0.004 0.000 0.246 106 E C -0.415 176.186 176.600 0.002 0.000 0.962 106 E CA 1.655 58.058 56.400 0.004 0.000 0.955 106 E CB 0.141 29.843 29.700 0.005 0.000 0.903 106 E HN -0.049 8.314 8.360 0.005 0.000 0.524 107 E N 2.679 122.879 120.200 0.000 0.000 1.920 107 E HA 0.039 4.387 4.350 -0.003 0.000 0.250 107 E C -0.867 175.730 176.600 -0.006 0.000 1.075 107 E CA 0.236 56.634 56.400 -0.003 0.000 1.683 107 E CB 1.263 30.961 29.700 -0.004 0.000 3.768 107 E HN 0.191 8.552 8.360 0.001 0.000 0.959 108 K N -2.214 118.185 120.400 -0.002 0.000 2.548 108 K HA 0.173 4.484 4.320 -0.016 0.000 0.282 108 K C -0.502 176.102 176.600 0.006 0.000 1.006 108 K CA -1.536 54.749 56.287 -0.003 0.000 0.892 108 K CB 2.562 35.064 32.500 0.004 0.000 1.499 108 K HN -0.525 7.728 8.250 0.004 0.000 0.433 109 I N -0.079 120.491 120.570 -0.001 0.000 2.179 109 I HA -0.391 3.800 4.170 0.034 0.000 0.242 109 I C 1.924 178.076 176.117 0.058 0.000 1.088 109 I CA 2.357 63.673 61.300 0.027 0.000 1.357 109 I CB -0.174 37.823 38.000 -0.005 0.000 1.051 109 I HN 0.679 8.875 8.210 -0.023 0.000 0.409 110 S N 0.037 115.772 115.700 0.059 0.000 2.372 110 S HA -0.493 4.029 4.470 0.087 0.000 0.227 110 S C 1.233 175.868 174.600 0.058 0.000 1.044 110 S CA 3.452 61.697 58.200 0.076 0.000 1.050 110 S CB -0.616 62.646 63.200 0.103 0.000 0.901 110 S HN 0.431 8.770 8.310 0.049 0.000 0.447 111 Q N -0.911 118.914 119.800 0.042 0.000 2.398 111 Q HA -0.041 4.318 4.340 0.032 0.000 0.204 111 Q C 1.271 177.286 176.000 0.024 0.000 0.932 111 Q CA 1.436 57.257 55.803 0.030 0.000 0.916 111 Q CB -0.323 28.426 28.738 0.019 0.000 1.024 111 Q HN 0.048 8.345 8.270 0.037 -0.004 0.504 112 R N 0.703 121.220 120.500 0.028 0.000 2.082 112 R HA -0.197 4.154 4.340 0.017 0.000 0.234 112 R C 0.238 176.552 176.300 0.022 0.000 1.136 112 R CA 1.653 57.767 56.100 0.025 0.000 0.935 112 R CB 0.884 31.204 30.300 0.033 0.000 0.842 112 R HN -0.069 7.951 8.270 0.032 0.269 0.430 113 G N -4.296 104.520 108.800 0.028 0.000 1.984 113 G HA2 0.069 4.036 3.960 0.011 0.000 0.313 113 G HA3 0.069 4.060 3.960 0.002 -0.030 0.313 113 G C -2.398 172.506 174.900 0.006 0.000 1.632 113 G CA 0.145 45.252 45.100 0.012 0.000 0.963 113 G HN -0.200 8.115 8.290 0.042 0.000 0.595 114 G N 3.774 112.580 108.800 0.010 0.000 2.320 114 G HA2 -0.058 3.897 3.960 -0.008 0.000 0.274 114 G HA3 -0.058 4.118 3.960 0.001 -0.216 0.274 114 G C -2.234 172.689 174.900 0.039 0.000 1.324 114 G CA 0.033 45.138 45.100 0.009 0.000 0.957 114 G HN -0.147 8.152 8.290 0.016 0.000 0.481 115 K N 0.228 120.662 120.400 0.058 0.000 2.385 115 K HA 0.496 4.864 4.320 0.079 0.000 0.248 115 K C -1.835 174.840 176.600 0.124 0.000 0.955 115 K CA -1.438 54.901 56.287 0.087 0.000 0.816 115 K CB 4.226 36.779 32.500 0.089 0.000 1.250 115 K HN 0.226 8.506 8.250 0.051 0.000 0.434 116 T N 0.003 114.640 114.554 0.139 0.000 2.848 116 T HA 0.917 5.641 4.350 0.194 -0.257 0.285 116 T C -0.083 174.730 174.700 0.190 0.000 0.995 116 T CA -2.066 60.144 62.100 0.183 0.000 0.970 116 T CB 1.457 70.447 68.868 0.203 0.000 0.976 116 T HN 0.044 8.358 8.240 0.124 0.000 0.441 117 V N -1.768 118.268 119.914 0.203 0.000 2.919 117 V HA 0.430 4.643 4.120 0.154 0.000 0.316 117 V C -1.971 174.250 176.094 0.211 0.000 1.077 117 V CA -2.997 59.395 62.300 0.153 0.000 0.977 117 V CB 2.391 34.231 31.823 0.028 0.000 1.039 117 V HN 0.431 8.757 8.190 0.228 0.000 0.441 118 G N 0.555 109.465 108.800 0.184 0.000 4.167 118 G HA2 -0.033 4.284 3.960 0.307 0.000 0.201 118 G HA3 -0.033 3.993 3.960 0.111 0.000 0.201 118 G C -1.486 173.503 174.900 0.149 0.000 1.186 118 G CA 0.888 46.099 45.100 0.185 0.000 0.979 118 G HN 0.483 8.880 8.290 0.178 0.000 0.460 119 Y N -0.195 120.220 120.300 0.192 0.000 2.299 119 Y HA -0.110 4.614 4.550 0.291 0.000 0.335 119 Y C -0.526 175.542 175.900 0.281 0.000 1.287 119 Y CA -0.517 57.722 58.100 0.231 0.000 1.424 119 Y CB 1.196 39.741 38.460 0.142 0.000 1.326 119 Y HN -0.606 7.859 8.280 0.308 0.000 0.567 120 W N 0.324 121.780 121.300 0.261 0.000 2.600 120 W HA 0.202 4.911 4.660 0.082 0.000 0.325 120 W C -1.803 174.771 176.519 0.092 0.000 1.034 120 W CA -1.685 55.736 57.345 0.128 0.000 1.226 120 W CB 0.849 30.374 29.460 0.108 0.000 1.379 120 W HN 0.139 8.850 8.180 0.886 0.000 0.466 121 S N 7.206 122.848 115.700 -0.098 0.000 2.158 121 S HA 0.252 4.428 4.470 -0.490 0.000 0.160 121 S C -0.331 174.151 174.600 -0.196 0.000 1.693 121 S CA -0.599 57.443 58.200 -0.264 0.000 1.251 121 S CB 0.979 64.083 63.200 -0.160 0.000 1.153 121 S HN 0.079 8.413 8.310 0.040 0.000 0.439 122 T N 0.816 115.211 114.554 -0.265 0.000 2.788 122 T HA -0.128 4.225 4.350 0.005 0.000 0.333 122 T C -0.758 173.879 174.700 -0.105 0.000 1.090 122 T CA 0.745 62.791 62.100 -0.090 0.000 1.094 122 T CB 0.842 69.697 68.868 -0.022 0.000 0.999 122 T HN -0.353 7.559 8.240 -0.546 0.000 0.549 123 D N 0.607 120.966 120.400 -0.068 0.000 1.698 123 D HA 0.054 4.626 4.640 -0.115 0.000 0.570 123 D C -1.195 174.996 176.300 -0.182 0.000 0.983 123 D CA 0.546 54.478 54.000 -0.113 0.000 1.141 123 D CB 0.785 41.524 40.800 -0.102 0.000 1.773 123 D HN 0.431 8.790 8.370 -0.020 0.000 0.504 124 G N -0.760 107.935 108.800 -0.176 0.000 2.711 124 G HA2 0.211 3.860 3.960 -0.519 0.000 0.288 124 G HA3 0.211 4.052 3.960 -0.199 0.000 0.288 124 G C -0.779 174.030 174.900 -0.153 0.000 1.451 124 G CA 0.284 45.214 45.100 -0.283 0.000 1.186 124 G HN -0.244 7.989 8.290 -0.095 0.000 0.560 125 Y N -1.079 119.240 120.300 0.031 0.000 2.716 125 Y HA 0.305 4.885 4.550 0.049 0.000 0.260 125 Y C -0.817 175.137 175.900 0.090 0.000 1.141 125 Y CA -2.729 55.405 58.100 0.057 0.000 1.168 125 Y CB 0.963 39.456 38.460 0.055 0.000 1.189 125 Y HN -0.152 7.438 8.280 -1.151 0.000 0.549 126 D N 2.333 122.822 120.400 0.148 0.000 2.896 126 D HA 0.018 4.807 4.640 0.249 0.000 0.240 126 D C -1.300 175.133 176.300 0.221 0.000 1.193 126 D CA -0.547 53.555 54.000 0.170 0.000 0.983 126 D CB -1.438 39.389 40.800 0.046 0.000 1.074 126 D HN 0.085 8.386 8.370 -0.022 0.055 0.496 127 F N 1.535 121.525 119.950 0.067 0.000 2.532 127 F HA 0.118 4.658 4.527 0.021 0.000 0.276 127 F C -0.017 175.803 175.800 0.033 0.000 0.911 127 F CA 0.465 58.487 58.000 0.036 0.000 1.196 127 F CB 1.437 40.455 39.000 0.031 0.000 1.087 127 F HN -0.733 7.719 8.300 0.357 0.062 0.775 128 N N 0.825 119.586 118.700 0.103 0.000 2.371 128 N HA -0.196 4.576 4.740 0.054 0.000 0.286 128 N C -1.782 173.637 175.510 -0.152 0.000 1.438 128 N CA 0.777 53.816 53.050 -0.018 0.000 0.640 128 N CB 0.056 38.508 38.487 -0.058 0.000 0.914 128 N HN 0.007 8.549 8.380 0.269 0.000 0.495 129 D N 1.172 121.573 120.400 0.002 0.000 2.440 129 D HA 0.016 4.561 4.640 -0.159 0.000 0.258 129 D C -0.713 175.583 176.300 -0.007 0.000 1.092 129 D CA -0.607 53.390 54.000 -0.005 0.000 1.016 129 D CB 1.331 42.235 40.800 0.173 0.000 1.141 129 D HN -0.151 8.275 8.370 0.094 0.000 0.552 130 S N -0.567 115.132 115.700 -0.002 0.000 2.612 130 S HA -0.005 4.471 4.470 0.011 0.000 0.167 130 S C -0.433 174.174 174.600 0.012 0.000 0.961 130 S CA 0.372 58.572 58.200 0.000 0.000 1.085 130 S CB 0.661 63.848 63.200 -0.021 0.000 1.477 130 S HN 0.132 8.446 8.310 0.007 0.000 0.413 131 K N 4.973 125.392 120.400 0.031 0.000 2.155 131 K HA 0.025 4.365 4.320 0.033 0.000 0.240 131 K C -0.835 175.783 176.600 0.030 0.000 1.193 131 K CA -0.910 55.400 56.287 0.037 0.000 1.104 131 K CB -1.406 31.128 32.500 0.056 0.000 1.558 131 K HN 0.276 8.549 8.250 0.038 0.000 0.313 132 A N 3.816 126.647 122.820 0.019 0.000 2.540 132 A HA -0.182 4.148 4.320 0.015 0.000 0.264 132 A C -0.743 176.854 177.584 0.021 0.000 1.080 132 A CA 0.671 52.717 52.037 0.016 0.000 0.776 132 A CB 0.019 19.023 19.000 0.007 0.000 1.011 132 A HN -0.030 8.100 8.150 0.013 0.028 0.514 133 L N 4.851 126.090 121.223 0.026 0.000 2.445 133 L HA 0.315 4.669 4.340 0.024 0.000 0.262 133 L C -1.418 175.470 176.870 0.030 0.000 0.974 133 L CA -0.612 54.245 54.840 0.029 0.000 0.822 133 L CB 4.067 46.148 42.059 0.036 0.000 1.339 133 L HN -0.374 7.873 8.230 0.027 0.000 0.409 134 R N 3.118 123.635 120.500 0.028 0.000 2.446 134 R HA -0.108 4.250 4.340 0.031 0.000 0.325 134 R C -0.614 175.709 176.300 0.039 0.000 0.997 134 R CA 1.342 57.460 56.100 0.031 0.000 1.010 134 R CB -0.178 30.138 30.300 0.026 0.000 0.946 134 R HN 0.364 8.649 8.270 0.024 0.000 0.422 135 N N 1.200 119.929 118.700 0.049 0.000 2.707 135 N HA 0.122 4.893 4.740 0.053 0.000 0.330 135 N C -0.879 174.683 175.510 0.087 0.000 0.667 135 N CA 0.001 53.087 53.050 0.060 0.000 1.417 135 N CB 2.081 40.605 38.487 0.060 0.000 1.416 135 N HN 0.104 8.513 8.380 0.049 0.000 1.551 136 G N -0.675 108.182 108.800 0.094 0.000 2.334 136 G HA2 -0.155 3.871 3.960 0.110 0.000 0.566 136 G HA3 -0.155 3.938 3.960 0.222 0.000 0.566 136 G C -2.637 172.344 174.900 0.136 0.000 1.413 136 G CA -0.481 44.706 45.100 0.145 0.000 0.993 136 G HN 0.035 8.368 8.290 0.071 0.000 0.642 137 K N -1.290 119.163 120.400 0.088 0.000 2.541 137 K HA 0.478 4.847 4.320 0.081 0.000 0.250 137 K C -1.465 175.034 176.600 -0.168 0.000 0.950 137 K CA -0.483 55.803 56.287 -0.002 0.000 0.805 137 K CB 1.033 33.487 32.500 -0.076 0.000 1.166 137 K HN -0.002 8.260 8.250 0.020 0.000 0.430 138 F N 2.624 122.576 119.950 0.003 0.000 3.051 138 F HA 0.197 4.725 4.527 0.001 0.000 0.363 138 F C -0.305 175.494 175.800 -0.000 0.000 1.257 138 F CA -0.367 57.634 58.000 0.002 0.000 1.126 138 F CB 1.468 40.470 39.000 0.002 0.000 1.476 138 F HN 0.185 8.602 8.300 0.195 0.000 0.576 139 V N 1.082 121.058 119.914 0.104 0.000 2.904 139 V HA 0.522 4.684 4.120 0.071 0.000 0.305 139 V C -1.635 174.509 176.094 0.083 0.000 1.067 139 V CA -0.577 61.765 62.300 0.069 0.000 1.044 139 V CB 0.862 32.698 31.823 0.021 0.000 1.050 139 V HN 0.115 8.320 8.190 0.026 0.000 0.475 140 G N 3.534 112.367 108.800 0.055 0.000 2.341 140 G HA2 0.076 4.061 3.960 0.041 0.000 0.299 140 G HA3 0.076 4.069 3.960 0.056 0.000 0.299 140 G C -2.200 172.715 174.900 0.025 0.000 1.274 140 G CA -0.425 44.702 45.100 0.045 0.000 0.853 140 G HN -0.027 8.288 8.290 0.041 0.000 0.493 141 L N -4.572 116.662 121.223 0.019 0.000 2.933 141 L HA 1.044 5.388 4.340 0.007 0.000 0.271 141 L C -1.262 175.611 176.870 0.006 0.000 1.071 141 L CA -1.127 53.718 54.840 0.009 0.000 0.938 141 L CB 2.053 44.115 42.059 0.005 0.000 1.534 141 L HN 1.521 9.763 8.230 0.021 0.000 0.396 142 A N 0.118 122.939 122.820 0.002 0.000 2.547 142 A HA 0.205 4.526 4.320 0.001 0.000 0.300 142 A C -2.383 175.200 177.584 -0.002 0.000 1.061 142 A CA -0.080 51.957 52.037 0.000 0.000 0.808 142 A CB 1.586 20.586 19.000 -0.001 0.000 1.304 142 A HN 0.212 8.362 8.150 -0.001 0.000 0.393 143 L N 2.800 124.021 121.223 -0.002 0.000 2.456 143 L HA 0.126 4.463 4.340 -0.004 0.000 0.277 143 L C -0.900 175.967 176.870 -0.004 0.000 1.124 143 L CA 0.140 54.978 54.840 -0.003 0.000 0.880 143 L CB 0.755 42.813 42.059 -0.002 0.000 1.192 143 L HN 0.078 8.307 8.230 -0.001 0.000 0.463 144 D N 5.666 126.063 120.400 -0.005 0.000 2.302 144 D HA 0.029 4.665 4.640 -0.005 0.000 0.248 144 D C 0.196 176.493 176.300 -0.005 0.000 1.094 144 D CA -0.294 53.702 54.000 -0.006 0.000 0.897 144 D CB 2.284 43.080 40.800 -0.008 0.000 1.200 144 D HN 0.060 8.426 8.370 -0.006 0.000 0.429 145 E N 4.132 124.329 120.200 -0.004 0.000 2.049 145 E HA -0.262 4.086 4.350 -0.003 0.000 0.198 145 E C 0.131 176.728 176.600 -0.004 0.000 1.007 145 E CA 1.805 58.203 56.400 -0.003 0.000 0.809 145 E CB 0.336 30.034 29.700 -0.003 0.000 0.749 145 E HN 0.311 8.669 8.360 -0.004 0.000 0.450 146 D N -1.173 119.224 120.400 -0.004 0.000 2.563 146 D HA -0.133 4.504 4.640 -0.004 0.000 0.229 146 D C 0.260 176.557 176.300 -0.005 0.000 1.159 146 D CA 1.474 55.471 54.000 -0.005 0.000 0.869 146 D CB 0.614 41.410 40.800 -0.006 0.000 1.203 146 D HN -0.502 8.029 8.370 -0.005 -0.164 0.478 147 N N 0.717 119.414 118.700 -0.004 0.000 2.197 147 N HA -0.148 4.590 4.740 -0.004 0.000 0.184 147 N C 0.387 175.894 175.510 -0.005 0.000 1.030 147 N CA 1.309 54.357 53.050 -0.004 0.000 0.851 147 N CB 0.640 39.125 38.487 -0.003 0.000 1.003 147 N HN 0.092 8.470 8.380 -0.004 0.000 0.430 148 Q N -0.592 119.205 119.800 -0.005 0.000 2.410 148 Q HA -0.212 4.125 4.340 -0.004 0.000 0.329 148 Q C -1.430 174.565 176.000 -0.009 0.000 1.211 148 Q CA 0.602 56.402 55.803 -0.006 0.000 1.015 148 Q CB 0.583 29.318 28.738 -0.006 0.000 1.276 148 Q HN -0.132 8.136 8.270 -0.004 0.000 0.436 149 S N 0.672 116.365 115.700 -0.011 0.000 2.747 149 S HA 0.093 4.555 4.470 -0.014 0.000 0.300 149 S C -0.994 173.593 174.600 -0.022 0.000 1.121 149 S CA -1.029 57.162 58.200 -0.015 0.000 0.995 149 S CB 1.516 64.707 63.200 -0.014 0.000 1.113 149 S HN -0.052 8.252 8.310 -0.009 0.000 0.547 150 D N -0.212 120.171 120.400 -0.029 0.000 2.442 150 D HA 0.121 4.737 4.640 -0.041 0.000 0.254 150 D C -0.249 176.018 176.300 -0.054 0.000 1.069 150 D CA -0.817 53.158 54.000 -0.042 0.000 1.017 150 D CB 0.686 41.460 40.800 -0.043 0.000 1.172 150 D HN -0.122 8.232 8.370 -0.027 0.000 0.561 151 L N -1.046 120.130 121.223 -0.078 0.000 2.470 151 L HA 0.007 4.292 4.340 -0.091 0.000 0.243 151 L C 0.923 177.738 176.870 -0.091 0.000 1.227 151 L CA -0.394 54.385 54.840 -0.102 0.000 0.824 151 L CB 0.360 42.328 42.059 -0.153 0.000 1.175 151 L HN -0.150 8.028 8.230 -0.086 0.000 0.503 152 T N -0.731 113.761 114.554 -0.103 0.000 2.595 152 T HA -0.229 4.085 4.350 -0.061 0.000 0.339 152 T C 0.623 175.278 174.700 -0.076 0.000 1.059 152 T CA 1.160 63.211 62.100 -0.082 0.000 1.035 152 T CB 0.597 69.411 68.868 -0.091 0.000 1.003 152 T HN -0.131 8.032 8.240 -0.129 0.000 0.540 153 D N 0.312 120.677 120.400 -0.058 0.000 2.271 153 D HA -0.072 4.540 4.640 -0.048 0.000 0.206 153 D C 0.126 176.396 176.300 -0.049 0.000 0.967 153 D CA 1.898 55.869 54.000 -0.047 0.000 0.867 153 D CB 0.301 41.081 40.800 -0.033 0.000 0.960 153 D HN 0.221 8.560 8.370 -0.052 0.000 0.509 154 D N -0.917 119.450 120.400 -0.056 0.000 2.370 154 D HA 0.021 4.638 4.640 -0.039 0.000 0.230 154 D C 0.361 176.622 176.300 -0.065 0.000 1.143 154 D CA -0.287 53.682 54.000 -0.052 0.000 0.834 154 D CB 0.019 40.787 40.800 -0.054 0.000 0.944 154 D HN -0.494 7.840 8.370 -0.060 0.000 0.504 155 R N 0.508 120.955 120.500 -0.089 0.000 2.070 155 R HA -0.242 4.001 4.340 -0.161 0.000 0.233 155 R C 1.756 178.014 176.300 -0.070 0.000 1.137 155 R CA 2.915 58.939 56.100 -0.126 0.000 0.945 155 R CB -0.524 29.677 30.300 -0.165 0.000 0.845 155 R HN -0.587 7.529 8.270 -0.087 0.102 0.430 156 I N -4.229 116.310 120.570 -0.051 0.000 2.151 156 I HA -0.457 3.730 4.170 0.029 0.000 0.243 156 I C 1.578 177.712 176.117 0.028 0.000 1.080 156 I CA 3.671 64.975 61.300 0.006 0.000 1.339 156 I CB -1.022 36.979 38.000 0.002 0.000 1.039 156 I HN -0.082 8.090 8.210 -0.064 0.000 0.409 157 K N -1.451 118.946 120.400 -0.004 0.000 2.147 157 K HA -0.292 4.249 4.320 -0.020 -0.233 0.205 157 K C 2.605 179.192 176.600 -0.021 0.000 1.049 157 K CA 3.021 59.300 56.287 -0.014 0.000 0.936 157 K CB -0.701 31.793 32.500 -0.011 0.000 0.722 157 K HN 0.227 8.472 8.250 -0.016 -0.004 0.446 158 S N 0.954 116.650 115.700 -0.007 0.000 2.326 158 S HA -0.212 4.277 4.470 0.031 0.000 0.211 158 S C 1.181 175.790 174.600 0.016 0.000 1.031 158 S CA 4.126 62.334 58.200 0.014 0.000 0.985 158 S CB 0.028 63.215 63.200 -0.021 0.000 0.961 158 S HN -0.188 7.958 8.310 -0.019 0.153 0.436 159 W N 3.136 124.335 121.300 -0.168 0.000 2.290 159 W HA -0.418 4.152 4.660 -0.151 0.000 0.323 159 W C 1.844 178.226 176.519 -0.229 0.000 1.260 159 W CA 4.509 61.741 57.345 -0.188 0.000 1.266 159 W CB -0.210 29.111 29.460 -0.232 0.000 1.149 159 W HN 0.286 8.542 8.180 0.127 0.000 0.482 160 V N -1.480 118.353 119.914 -0.135 0.000 2.252 160 V HA -0.651 3.050 4.120 -0.698 0.000 0.249 160 V C 2.122 177.911 176.094 -0.508 0.000 1.056 160 V CA 3.687 65.727 62.300 -0.433 0.000 1.022 160 V CB -1.027 30.642 31.823 -0.257 0.000 0.641 160 V HN 0.280 8.423 8.190 0.078 0.094 0.445 161 A N -1.543 121.105 122.820 -0.286 0.000 1.978 161 A HA -0.445 3.724 4.320 -0.253 0.000 0.220 161 A C 2.383 179.787 177.584 -0.300 0.000 1.170 161 A CA 3.192 55.086 52.037 -0.237 0.000 0.636 161 A CB -0.829 18.111 19.000 -0.099 0.000 0.810 161 A HN -0.096 7.763 8.150 -0.175 0.187 0.448 162 Q N -1.195 118.406 119.800 -0.333 0.000 2.046 162 Q HA -0.266 3.947 4.340 -0.212 0.000 0.200 162 Q C 2.492 178.136 176.000 -0.594 0.000 0.975 162 Q CA 2.890 58.483 55.803 -0.349 0.000 0.836 162 Q CB -0.147 28.425 28.738 -0.276 0.000 0.896 162 Q HN 0.063 7.910 8.270 -0.307 0.238 0.428 163 L N -0.643 120.004 121.223 -0.960 0.000 1.994 163 L HA -0.417 2.964 4.340 -1.599 0.000 0.208 163 L C 2.246 178.267 176.870 -1.415 0.000 1.071 163 L CA 3.278 57.166 54.840 -1.585 0.000 0.745 163 L CB -0.873 40.145 42.059 -1.735 0.000 0.892 163 L HN 0.367 7.925 8.230 -0.999 0.073 0.431 164 K N -2.511 117.394 120.400 -0.825 0.000 2.152 164 K HA -0.351 3.882 4.320 -0.147 0.000 0.206 164 K C 3.017 179.470 176.600 -0.245 0.000 1.048 164 K CA 2.352 58.416 56.287 -0.372 0.000 0.933 164 K CB -1.031 31.280 32.500 -0.316 0.000 0.721 164 K HN 0.539 8.296 8.250 -0.822 0.000 0.447 165 S N 0.697 116.212 115.700 -0.308 0.000 2.349 165 S HA -0.307 4.053 4.470 -0.182 0.000 0.216 165 S C 1.902 176.429 174.600 -0.122 0.000 1.033 165 S CA 3.850 61.930 58.200 -0.201 0.000 1.021 165 S CB -0.263 62.824 63.200 -0.188 0.000 0.968 165 S HN 0.037 7.884 8.310 -0.402 0.222 0.426 166 E N 2.082 122.200 120.200 -0.138 0.000 2.017 166 E HA -0.312 4.039 4.350 0.002 0.000 0.193 166 E C 3.001 179.695 176.600 0.157 0.000 0.997 166 E CA 3.092 59.492 56.400 -0.001 0.000 0.804 166 E CB -0.152 29.553 29.700 0.009 0.000 0.757 166 E HN -0.529 7.685 8.360 -0.242 0.000 0.448 167 F N -2.416 117.509 119.950 -0.041 0.000 2.048 167 F HA -0.314 4.235 4.527 0.037 0.000 0.296 167 F C 1.562 177.353 175.800 -0.015 0.000 1.109 167 F CA 2.229 60.225 58.000 -0.007 0.000 1.214 167 F CB 0.348 39.336 39.000 -0.020 0.000 0.963 167 F HN 0.197 8.422 8.300 0.031 0.093 0.491 168 G N -3.995 104.905 108.800 0.167 0.000 3.876 168 G HA2 -0.040 3.948 3.960 0.047 0.000 0.249 168 G HA3 -0.040 3.955 3.960 0.058 0.000 0.249 168 G C -1.597 173.305 174.900 0.003 0.000 3.894 168 G CA -0.249 44.889 45.100 0.063 0.000 0.527 168 G HN -0.554 7.709 8.290 0.139 0.111 0.244 169 L N 0.000 121.197 121.223 -0.044 0.000 2.949 169 L HA 0.000 4.336 4.340 -0.143 -0.082 0.249 169 L CA 0.000 54.771 54.840 -0.115 0.000 0.813 169 L CB 0.000 41.969 42.059 -0.150 0.000 0.961 169 L HN 0.000 8.208 8.230 -0.037 0.000 0.502