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 2rlo_1_A DATA FIRST_RESID 1 DATA SEQUENCE RAIPIKQSFL LKRSGNSLNK EWKKKYVTLS SNGFLLYHPS INDYIHSTHG DATA SEQUENCE KEMDLLRTTV KVPGKRPPRA ISAFGPSASG SAGQAEEENF EFLIVSSTGQ DATA SEQUENCE TWHFEAASFE ERDAWVQAIE SQILASLQ 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 R HA 0.000 4.360 4.340 0.034 0.000 0.208 1 R C 0.000 176.322 176.300 0.036 0.000 0.893 1 R CA 0.000 56.120 56.100 0.033 0.000 0.921 1 R CB 0.000 30.315 30.300 0.025 0.000 0.687 2 A N 3.431 126.278 122.820 0.044 0.000 2.282 2 A HA 0.437 4.782 4.320 0.040 0.000 0.324 2 A C -1.491 176.116 177.584 0.039 0.000 1.119 2 A CA -0.816 51.249 52.037 0.047 0.000 0.880 2 A CB 2.035 21.075 19.000 0.068 0.000 1.294 2 A HN 0.122 8.301 8.150 0.049 0.000 0.493 3 I N -0.894 119.694 120.570 0.030 0.000 2.533 3 I HA 0.264 4.446 4.170 0.020 0.000 0.290 3 I C -2.483 173.637 176.117 0.005 0.000 1.056 3 I CA -2.752 58.557 61.300 0.015 0.000 1.057 3 I CB 2.415 40.415 38.000 0.000 0.000 1.240 3 I HN 0.610 8.839 8.210 0.032 0.000 0.423 4 P HA 0.006 4.520 4.420 -0.011 -0.100 0.267 4 P C -1.223 176.019 177.300 -0.097 0.000 1.205 4 P CA -0.064 63.016 63.100 -0.033 0.000 0.765 4 P CB 0.120 31.802 31.700 -0.030 0.000 0.828 5 I N 2.171 122.653 120.570 -0.147 0.000 3.645 5 I HA -0.024 4.044 4.170 -0.169 0.000 0.300 5 I C 0.660 176.526 176.117 -0.419 0.000 1.260 5 I CA -0.129 61.039 61.300 -0.220 0.000 1.365 5 I CB 0.093 37.987 38.000 -0.177 0.000 1.077 5 I HN 1.063 9.073 8.210 -0.121 0.127 0.439 6 K N -1.841 118.221 120.400 -0.563 0.000 2.487 6 K HA 0.066 4.029 4.320 -0.596 0.000 0.307 6 K C -2.376 173.790 176.600 -0.722 0.000 1.160 6 K CA 0.436 56.172 56.287 -0.919 0.000 1.087 6 K CB 2.298 33.614 32.500 -1.973 0.000 1.390 6 K HN -0.516 7.493 8.250 -0.402 0.000 0.453 7 Q N 5.140 124.781 119.800 -0.265 0.000 2.303 7 Q HA 1.001 5.612 4.340 0.084 -0.220 0.267 7 Q C -1.369 174.522 176.000 -0.182 0.000 1.011 7 Q CA -1.275 54.460 55.803 -0.113 0.000 0.740 7 Q CB 3.042 31.685 28.738 -0.159 0.000 1.250 7 Q HN 0.180 8.295 8.270 -0.257 0.000 0.458 8 S N 1.883 117.478 115.700 -0.175 0.000 2.683 8 S HA 0.339 4.465 4.470 -0.574 0.000 0.269 8 S C -1.628 172.795 174.600 -0.296 0.000 1.165 8 S CA -1.006 56.967 58.200 -0.379 0.000 0.840 8 S CB 2.232 65.305 63.200 -0.212 0.000 1.169 8 S HN 0.725 9.065 8.310 0.050 0.000 0.490 9 F N -0.631 119.268 119.950 -0.085 0.000 2.418 9 F HA 0.482 5.156 4.527 -0.057 -0.181 0.341 9 F C -0.118 175.614 175.800 -0.113 0.000 1.120 9 F CA -1.476 56.492 58.000 -0.053 0.000 1.232 9 F CB 0.421 39.447 39.000 0.042 0.000 1.175 9 F HN 0.312 8.042 8.300 -0.949 0.000 0.569 10 L N -1.680 119.571 121.223 0.047 0.000 2.434 10 L HA 0.208 4.537 4.340 -0.018 0.000 0.260 10 L C -1.607 175.292 176.870 0.049 0.000 0.983 10 L CA -0.662 54.135 54.840 -0.072 0.000 0.820 10 L CB 5.078 46.884 42.059 -0.423 0.000 1.361 10 L HN 0.021 8.178 8.230 0.101 0.134 0.410 11 L N 1.687 122.992 121.223 0.136 0.000 2.326 11 L HA 0.567 5.296 4.340 0.233 -0.249 0.278 11 L C -0.837 176.339 176.870 0.511 0.000 1.092 11 L CA -0.677 54.335 54.840 0.286 0.000 0.810 11 L CB 1.450 43.639 42.059 0.216 0.000 1.153 11 L HN -0.023 8.269 8.230 0.103 0.000 0.439 12 K N 3.321 123.950 120.400 0.383 0.000 2.463 12 K HA 0.497 5.092 4.320 0.182 -0.165 0.255 12 K C -0.409 176.078 176.600 -0.189 0.000 0.942 12 K CA -2.813 53.574 56.287 0.166 0.000 0.814 12 K CB 2.794 35.409 32.500 0.192 0.000 1.122 12 K HN 0.162 8.668 8.250 0.300 -0.076 0.425 13 R N 5.531 125.541 120.500 -0.817 0.000 2.678 13 R HA -0.280 3.442 4.340 -1.236 -0.123 0.264 13 R C -0.250 175.796 176.300 -0.423 0.000 0.995 13 R CA 1.769 57.276 56.100 -0.988 0.000 1.098 13 R CB 0.245 29.868 30.300 -1.129 0.000 0.949 13 R HN 0.438 8.076 8.270 -1.053 0.000 0.422 14 S N 0.211 115.722 115.700 -0.315 0.000 2.680 14 S HA 0.150 4.528 4.470 -0.154 0.000 0.140 14 S C -1.071 173.454 174.600 -0.125 0.000 1.357 14 S CA 0.134 58.236 58.200 -0.165 0.000 1.201 14 S CB 0.675 63.816 63.200 -0.098 0.000 1.547 14 S HN -0.055 7.965 8.310 -0.368 0.070 0.411 15 G N 2.123 110.844 108.800 -0.131 0.000 2.838 15 G HA2 -0.016 3.906 3.960 -0.065 0.000 0.118 15 G HA3 -0.016 3.898 3.960 -0.077 0.000 0.118 15 G C -2.001 172.852 174.900 -0.080 0.000 1.028 15 G CA 0.627 45.675 45.100 -0.086 0.000 1.360 15 G HN -0.176 8.018 8.290 -0.161 0.000 0.575 16 N N -2.348 116.304 118.700 -0.081 0.000 3.179 16 N HA 0.224 4.924 4.740 -0.067 0.000 0.250 16 N C -1.072 174.407 175.510 -0.052 0.000 1.507 16 N CA -0.450 52.564 53.050 -0.060 0.000 0.883 16 N CB 2.028 40.495 38.487 -0.035 0.000 1.435 16 N HN -0.529 7.798 8.380 -0.088 0.000 0.532 17 S N -0.368 115.314 115.700 -0.029 0.000 2.357 17 S HA -0.149 4.318 4.470 -0.005 0.000 0.221 17 S C 2.042 176.650 174.600 0.013 0.000 1.031 17 S CA 2.741 60.938 58.200 -0.005 0.000 0.982 17 S CB 0.119 63.320 63.200 0.001 0.000 0.853 17 S HN 0.175 8.468 8.310 -0.028 0.000 0.458 18 L N -0.593 120.634 121.223 0.007 0.000 2.131 18 L HA -0.139 4.214 4.340 0.021 0.000 0.210 18 L C 0.256 177.138 176.870 0.020 0.000 1.092 18 L CA 1.777 56.626 54.840 0.015 0.000 0.759 18 L CB -0.234 41.829 42.059 0.008 0.000 0.903 18 L HN -0.208 8.021 8.230 -0.001 0.000 0.435 19 N N -2.147 116.559 118.700 0.011 0.000 2.804 19 N HA 0.134 4.893 4.740 0.032 0.000 0.251 19 N C -1.668 173.847 175.510 0.009 0.000 1.250 19 N CA -1.018 52.042 53.050 0.017 0.000 0.820 19 N CB -0.913 37.579 38.487 0.007 0.000 1.156 19 N HN -0.194 8.168 8.380 -0.001 0.018 0.512 20 K N 1.577 122.002 120.400 0.042 0.000 2.276 20 K HA -0.035 4.357 4.320 -0.081 -0.121 0.259 20 K C -0.497 176.139 176.600 0.061 0.000 1.001 20 K CA 1.044 57.351 56.287 0.033 0.000 0.927 20 K CB 0.874 33.499 32.500 0.209 0.000 0.969 20 K HN 0.087 8.379 8.250 0.069 0.000 0.490 21 E N 1.028 121.206 120.200 -0.037 0.000 2.593 21 E HA 0.140 4.615 4.350 0.209 0.000 0.362 21 E C -2.257 174.334 176.600 -0.014 0.000 0.962 21 E CA -0.575 55.862 56.400 0.061 0.000 0.760 21 E CB 1.926 31.631 29.700 0.009 0.000 1.521 21 E HN 0.203 8.388 8.360 -0.291 0.000 0.384 22 W N 1.436 122.721 121.300 -0.024 0.000 2.365 22 W HA 0.381 5.163 4.660 -0.034 -0.143 0.316 22 W C 0.144 176.658 176.519 -0.008 0.000 1.164 22 W CA -2.026 55.303 57.345 -0.026 0.000 1.204 22 W CB 1.204 30.643 29.460 -0.036 0.000 1.213 22 W HN -0.064 8.535 8.180 0.698 0.000 0.539 23 K N 2.381 122.892 120.400 0.185 0.000 2.166 23 K HA 0.324 4.706 4.320 0.103 0.000 0.245 23 K C -0.543 176.126 176.600 0.116 0.000 0.967 23 K CA -2.019 54.335 56.287 0.112 0.000 0.863 23 K CB 2.513 35.044 32.500 0.051 0.000 1.107 23 K HN 0.292 8.532 8.250 0.154 0.102 0.436 24 K N 2.637 123.077 120.400 0.067 0.000 2.383 24 K HA -0.189 4.182 4.320 0.085 0.000 0.286 24 K C -0.433 176.196 176.600 0.048 0.000 1.051 24 K CA 0.399 56.716 56.287 0.050 0.000 0.974 24 K CB -0.387 32.102 32.500 -0.018 0.000 0.968 24 K HN 0.168 8.444 8.250 0.045 0.000 0.475 25 K N 3.225 123.677 120.400 0.088 0.000 2.279 25 K HA 0.627 5.178 4.320 0.102 -0.170 0.238 25 K C -0.802 175.915 176.600 0.196 0.000 1.084 25 K CA -3.057 53.297 56.287 0.113 0.000 0.885 25 K CB 3.323 35.890 32.500 0.112 0.000 1.319 25 K HN 0.595 8.809 8.250 0.103 0.097 0.494 26 Y N 0.798 121.143 120.300 0.075 0.000 2.315 26 Y HA 0.261 5.081 4.550 0.214 -0.141 0.324 26 Y C -2.625 173.354 175.900 0.131 0.000 1.062 26 Y CA -0.710 57.474 58.100 0.140 0.000 1.159 26 Y CB 2.878 41.421 38.460 0.138 0.000 1.145 26 Y HN 0.356 8.789 8.280 0.255 0.000 0.442 27 V N 7.860 127.605 119.914 -0.281 0.000 2.715 27 V HA 0.802 5.209 4.120 0.183 -0.177 0.310 27 V C -1.173 175.009 176.094 0.146 0.000 1.054 27 V CA -2.124 60.122 62.300 -0.090 0.000 0.928 27 V CB 3.394 34.885 31.823 -0.554 0.000 1.007 27 V HN 1.078 9.027 8.190 -0.402 0.000 0.437 28 T N 6.373 121.204 114.554 0.462 0.000 2.965 28 T HA 0.404 5.131 4.350 0.335 -0.176 0.306 28 T C -1.719 173.240 174.700 0.432 0.000 0.991 28 T CA -0.322 62.015 62.100 0.396 0.000 1.001 28 T CB 1.925 70.948 68.868 0.258 0.000 0.984 28 T HN 0.859 9.297 8.240 0.512 0.108 0.446 29 L N 8.922 130.264 121.223 0.198 0.000 2.261 29 L HA 0.436 4.976 4.340 0.334 0.000 0.289 29 L C -1.750 175.138 176.870 0.030 0.000 1.059 29 L CA -1.328 53.580 54.840 0.114 0.000 0.816 29 L CB 0.482 42.419 42.059 -0.202 0.000 1.191 29 L HN 1.217 9.244 8.230 -0.128 0.127 0.431 30 S N 4.735 120.517 115.700 0.136 0.000 2.690 30 S HA 0.410 4.913 4.470 0.054 0.000 0.291 30 S C 0.792 175.443 174.600 0.086 0.000 1.138 30 S CA -2.291 55.973 58.200 0.106 0.000 1.013 30 S CB 2.131 65.428 63.200 0.162 0.000 1.053 30 S HN 0.048 8.493 8.310 0.224 0.000 0.539 31 S N 3.232 118.967 115.700 0.059 0.000 2.607 31 S HA -0.019 4.468 4.470 0.028 0.000 0.224 31 S C 0.452 175.092 174.600 0.067 0.000 0.969 31 S CA 1.117 59.343 58.200 0.043 0.000 0.927 31 S CB -0.106 63.109 63.200 0.024 0.000 0.772 31 S HN 0.165 8.507 8.310 0.054 0.000 0.533 32 N N 0.761 119.529 118.700 0.113 0.000 2.346 32 N HA 0.122 4.920 4.740 0.096 0.000 0.225 32 N C 0.420 176.011 175.510 0.135 0.000 1.144 32 N CA -0.890 52.242 53.050 0.137 0.000 0.837 32 N CB -0.062 38.542 38.487 0.194 0.000 1.069 32 N HN -0.705 7.660 8.380 0.135 0.096 0.487 33 G N -2.191 106.660 108.800 0.085 0.000 2.356 33 G HA2 -0.396 3.576 3.960 0.020 0.000 0.296 33 G HA3 -0.396 3.539 3.960 -0.041 0.000 0.296 33 G C -1.657 173.230 174.900 -0.020 0.000 1.022 33 G CA 1.021 46.129 45.100 0.013 0.000 0.961 33 G HN -0.317 7.912 8.290 0.079 0.109 0.510 34 F N -0.934 119.065 119.950 0.081 0.000 2.561 34 F HA 0.477 5.052 4.527 0.080 0.000 0.313 34 F C -2.463 173.442 175.800 0.175 0.000 1.126 34 F CA -1.565 56.501 58.000 0.110 0.000 0.918 34 F CB 4.445 43.518 39.000 0.122 0.000 1.199 34 F HN -0.918 7.533 8.300 0.262 0.006 0.444 35 L N 5.777 127.333 121.223 0.555 0.000 2.298 35 L HA 0.508 5.172 4.340 0.540 0.000 0.284 35 L C -2.545 174.757 176.870 0.720 0.000 1.013 35 L CA -1.591 53.571 54.840 0.536 0.000 0.824 35 L CB 2.025 44.315 42.059 0.384 0.000 1.221 35 L HN 0.198 8.770 8.230 0.569 0.000 0.418 36 L N 6.658 128.301 121.223 0.699 0.000 2.342 36 L HA 0.989 6.028 4.340 0.805 -0.216 0.271 36 L C -1.485 175.776 176.870 0.652 0.000 1.008 36 L CA -1.481 53.758 54.840 0.664 0.000 0.818 36 L CB 2.475 44.799 42.059 0.441 0.000 1.296 36 L HN 0.175 8.774 8.230 0.614 0.000 0.427 37 Y N -0.902 119.497 120.300 0.166 0.000 2.401 37 Y HA 0.899 5.833 4.550 0.259 -0.229 0.330 37 Y C -2.479 173.375 175.900 -0.077 0.000 1.071 37 Y CA -2.074 56.043 58.100 0.029 0.000 1.049 37 Y CB 2.458 40.737 38.460 -0.301 0.000 1.239 37 Y HN 0.931 9.326 8.280 0.192 0.000 0.437 38 H N 4.155 123.157 119.070 -0.113 0.000 2.710 38 H HA 0.672 5.110 4.556 -0.358 -0.097 0.361 38 H C -1.324 173.932 175.328 -0.120 0.000 1.175 38 H CA -2.863 53.085 56.048 -0.165 0.000 1.206 38 H CB 0.974 30.764 29.762 0.046 0.000 1.750 38 H HN 0.998 9.532 8.280 0.607 0.110 0.553 39 P HA -0.224 4.168 4.420 -0.048 0.000 0.217 39 P C -0.408 176.906 177.300 0.023 0.000 1.151 39 P CA 2.601 65.681 63.100 -0.033 0.000 0.849 39 P CB 0.456 32.095 31.700 -0.101 0.000 0.787 40 S N -7.743 107.988 115.700 0.051 0.000 2.714 40 S HA 0.089 4.593 4.470 0.056 0.000 0.280 40 S C -0.428 174.157 174.600 -0.026 0.000 1.200 40 S CA -2.020 56.190 58.200 0.016 0.000 0.900 40 S CB 1.445 64.606 63.200 -0.065 0.000 1.235 40 S HN -0.473 7.971 8.310 0.077 -0.088 0.512 41 I N 2.022 122.524 120.570 -0.113 0.000 2.252 41 I HA -0.387 3.442 4.170 -0.569 0.000 0.245 41 I C 1.193 177.254 176.117 -0.094 0.000 1.102 41 I CA 3.659 64.835 61.300 -0.206 0.000 1.385 41 I CB -0.222 37.728 38.000 -0.084 0.000 1.064 41 I HN 0.437 8.562 8.210 -0.142 0.000 0.414 42 N N -1.723 116.956 118.700 -0.036 0.000 2.258 42 N HA -0.324 4.596 4.740 0.301 0.000 0.187 42 N C 1.713 177.257 175.510 0.057 0.000 1.012 42 N CA 3.189 56.259 53.050 0.034 0.000 0.870 42 N CB -1.222 37.145 38.487 -0.200 0.000 0.977 42 N HN 0.367 8.703 8.380 -0.073 0.000 0.434 43 D N -0.316 120.071 120.400 -0.022 0.000 2.137 43 D HA -0.115 4.558 4.640 0.054 0.000 0.202 43 D C 2.004 178.260 176.300 -0.075 0.000 0.970 43 D CA 3.854 57.871 54.000 0.029 0.000 0.837 43 D CB -0.015 40.861 40.800 0.127 0.000 0.981 43 D HN -0.600 7.587 8.370 -0.050 0.153 0.475 44 Y N 0.779 120.787 120.300 -0.487 0.000 2.153 44 Y HA -0.203 3.813 4.550 -0.890 0.000 0.289 44 Y C 0.856 176.553 175.900 -0.339 0.000 1.127 44 Y CA 2.504 60.177 58.100 -0.710 0.000 1.131 44 Y CB 0.133 37.838 38.460 -1.258 0.000 0.995 44 Y HN -0.706 7.313 8.280 -0.271 0.099 0.505 45 I N -1.726 118.397 120.570 -0.745 0.000 2.076 45 I HA -0.601 2.877 4.170 -1.153 0.000 0.237 45 I C 1.795 177.598 176.117 -0.523 0.000 1.059 45 I CA 3.033 63.880 61.300 -0.755 0.000 1.317 45 I CB 0.203 37.950 38.000 -0.422 0.000 1.037 45 I HN 0.087 8.095 8.210 -0.337 0.000 0.398 46 H N -3.313 115.606 119.070 -0.253 0.000 2.495 46 H HA -0.023 4.446 4.556 -0.145 0.000 0.287 46 H C 0.062 175.318 175.328 -0.121 0.000 1.033 46 H CA 0.856 56.812 56.048 -0.153 0.000 1.307 46 H CB 0.696 30.397 29.762 -0.100 0.000 1.401 46 H HN -0.569 7.787 8.280 0.128 0.000 0.555 47 S N -0.713 114.981 115.700 -0.011 0.000 4.012 47 S HA -0.284 4.313 4.470 0.059 -0.091 0.494 47 S C -1.100 173.551 174.600 0.085 0.000 0.810 47 S CA 1.045 59.264 58.200 0.031 0.000 1.309 47 S CB -1.266 61.929 63.200 -0.008 0.000 0.822 47 S HN -0.141 7.922 8.310 -0.055 0.214 0.644 48 T N 0.415 115.048 114.554 0.132 0.000 3.031 48 T HA 0.122 4.519 4.350 0.078 0.000 0.305 48 T C -1.421 173.398 174.700 0.198 0.000 0.985 48 T CA -1.289 60.882 62.100 0.119 0.000 1.008 48 T CB 1.820 70.737 68.868 0.081 0.000 1.005 48 T HN -0.081 8.128 8.240 0.161 0.128 0.444 49 H N 4.391 123.460 119.070 -0.000 0.000 3.302 49 H HA -0.268 4.226 4.556 -0.103 0.000 0.341 49 H C -1.719 173.501 175.328 -0.180 0.000 1.049 49 H CA 0.828 56.826 56.048 -0.083 0.000 1.073 49 H CB 0.156 29.866 29.762 -0.087 0.000 1.565 49 H HN 0.206 8.488 8.280 0.002 0.000 0.375 50 G N 0.036 108.655 108.800 -0.302 0.000 3.113 50 G HA2 -0.010 3.327 3.960 -1.282 0.000 0.301 50 G HA3 -0.010 3.227 3.960 -1.204 0.000 0.301 50 G C -1.499 173.095 174.900 -0.511 0.000 1.606 50 G CA -0.579 43.981 45.100 -0.901 0.000 1.060 50 G HN -0.214 7.926 8.290 -0.250 0.000 0.540 51 K N 3.620 123.740 120.400 -0.467 0.000 2.382 51 K HA -0.057 4.275 4.320 0.021 0.000 0.275 51 K C -1.136 175.694 176.600 0.383 0.000 1.009 51 K CA -0.618 55.638 56.287 -0.052 0.000 0.970 51 K CB 1.234 33.691 32.500 -0.071 0.000 0.934 51 K HN 0.010 7.814 8.250 -0.743 0.000 0.479 52 E N 3.623 124.176 120.200 0.589 0.000 2.248 52 E HA 0.698 5.814 4.350 0.907 -0.221 0.267 52 E C -1.435 175.557 176.600 0.654 0.000 0.877 52 E CA -1.981 54.820 56.400 0.667 0.000 0.759 52 E CB 2.889 32.647 29.700 0.095 0.000 1.182 52 E HN -0.055 8.577 8.360 0.453 0.000 0.418 53 M N 4.008 123.802 119.600 0.322 0.000 2.190 53 M HA 0.338 4.820 4.480 0.003 0.000 0.312 53 M C -1.748 174.504 176.300 -0.081 0.000 0.990 53 M CA -0.869 54.343 55.300 -0.146 0.000 0.927 53 M CB 3.412 35.357 32.600 -1.093 0.000 1.571 53 M HN 0.903 9.322 8.290 0.405 0.114 0.427 54 D N 6.423 126.696 120.400 -0.213 0.000 2.493 54 D HA -0.195 3.786 4.640 -1.099 0.000 0.240 54 D C -0.706 175.400 176.300 -0.323 0.000 1.142 54 D CA 0.656 54.345 54.000 -0.519 0.000 0.872 54 D CB 0.143 40.719 40.800 -0.373 0.000 1.173 54 D HN 0.442 8.760 8.370 -0.088 0.000 0.467 55 L N 0.562 121.596 121.223 -0.315 0.000 2.783 55 L HA 0.208 4.470 4.340 -0.131 0.000 0.236 55 L C 0.514 177.304 176.870 -0.134 0.000 1.225 55 L CA -0.606 54.139 54.840 -0.158 0.000 1.026 55 L CB -0.333 41.679 42.059 -0.079 0.000 1.314 55 L HN -0.085 7.869 8.230 -0.461 0.000 0.489 56 L N -0.919 120.208 121.223 -0.159 0.000 2.102 56 L HA -0.172 4.112 4.340 -0.095 0.000 0.202 56 L C -0.199 176.622 176.870 -0.082 0.000 1.076 56 L CA 2.564 57.336 54.840 -0.112 0.000 0.761 56 L CB 0.421 42.409 42.059 -0.118 0.000 0.921 56 L HN -0.107 7.903 8.230 -0.206 0.096 0.444 57 R N -3.930 116.517 120.500 -0.088 0.000 2.701 57 R HA 0.300 4.607 4.340 -0.056 0.000 0.281 57 R C -2.112 174.144 176.300 -0.074 0.000 1.367 57 R CA -1.349 54.710 56.100 -0.067 0.000 1.510 57 R CB 0.450 30.716 30.300 -0.057 0.000 1.306 57 R HN -0.282 7.923 8.270 -0.109 0.000 0.682 58 T N -1.679 112.829 114.554 -0.077 0.000 2.950 58 T HA 0.779 5.214 4.350 -0.093 -0.141 0.288 58 T C -0.353 174.316 174.700 -0.051 0.000 1.035 58 T CA -1.979 60.071 62.100 -0.083 0.000 1.028 58 T CB 2.547 71.350 68.868 -0.110 0.000 1.109 58 T HN -0.663 7.534 8.240 -0.072 0.000 0.514 59 T N -0.903 113.622 114.554 -0.048 0.000 2.907 59 T HA 0.388 4.731 4.350 -0.012 0.000 0.292 59 T C -2.006 172.694 174.700 -0.000 0.000 1.043 59 T CA -1.464 60.623 62.100 -0.023 0.000 1.003 59 T CB 3.368 72.218 68.868 -0.030 0.000 1.084 59 T HN 0.400 8.493 8.240 -0.070 0.106 0.483 60 V N 2.874 122.808 119.914 0.033 0.000 2.577 60 V HA 1.011 5.471 4.120 0.090 -0.286 0.303 60 V C -1.939 174.197 176.094 0.071 0.000 1.042 60 V CA -2.483 59.871 62.300 0.089 0.000 0.872 60 V CB 2.116 34.033 31.823 0.157 0.000 0.998 60 V HN 0.563 8.768 8.190 0.024 0.000 0.423 61 K N 6.438 126.876 120.400 0.063 0.000 2.575 61 K HA 0.382 4.733 4.320 0.051 0.000 0.279 61 K C -2.072 174.543 176.600 0.024 0.000 0.969 61 K CA -1.549 54.759 56.287 0.034 0.000 0.868 61 K CB 3.624 36.119 32.500 -0.010 0.000 1.457 61 K HN 0.090 8.375 8.250 0.059 0.000 0.426 62 V N -3.566 116.362 119.914 0.023 0.000 3.003 62 V HA 0.577 4.902 4.120 0.065 -0.167 0.305 62 V C -0.562 175.501 176.094 -0.052 0.000 1.078 62 V CA -2.925 59.386 62.300 0.018 0.000 1.083 62 V CB 0.335 32.170 31.823 0.021 0.000 1.039 62 V HN 0.469 8.670 8.190 0.019 0.000 0.481 63 P HA -0.076 4.250 4.420 -0.156 0.000 0.244 63 P C -0.484 176.816 177.300 -0.000 0.000 1.723 63 P CA 0.143 63.212 63.100 -0.052 0.000 1.110 63 P CB -2.392 29.404 31.700 0.160 0.000 1.972 64 G N 2.412 111.196 108.800 -0.026 0.000 2.370 64 G HA2 -0.386 3.560 3.960 -0.023 0.000 0.293 64 G HA3 -0.386 3.567 3.960 -0.011 0.000 0.293 64 G C -0.895 173.999 174.900 -0.010 0.000 0.992 64 G CA 0.663 45.753 45.100 -0.016 0.000 1.247 64 G HN 0.229 8.445 8.290 -0.048 0.045 0.505 65 K N -0.126 120.262 120.400 -0.019 0.000 2.477 65 K HA 0.154 4.457 4.320 -0.028 0.000 0.255 65 K C -0.594 175.980 176.600 -0.042 0.000 0.952 65 K CA -1.736 54.532 56.287 -0.032 0.000 0.826 65 K CB 2.789 35.263 32.500 -0.042 0.000 1.331 65 K HN -0.302 7.935 8.250 -0.022 0.000 0.437 66 R N 1.560 122.029 120.500 -0.051 0.000 2.811 66 R HA 0.013 4.329 4.340 -0.039 0.000 0.265 66 R C -1.262 175.001 176.300 -0.062 0.000 1.026 66 R CA -1.238 54.831 56.100 -0.051 0.000 1.142 66 R CB -0.927 29.342 30.300 -0.052 0.000 1.027 66 R HN 0.290 8.529 8.270 -0.052 0.000 0.465 67 P HA 0.084 4.480 4.420 -0.041 0.000 0.258 67 P C -1.920 175.339 177.300 -0.070 0.000 1.187 67 P CA -1.323 61.749 63.100 -0.047 0.000 0.767 67 P CB -0.295 31.386 31.700 -0.032 0.000 0.770 68 P HA 0.010 4.311 4.420 -0.198 0.000 0.271 68 P C -1.112 176.150 177.300 -0.062 0.000 1.380 68 P CA -0.122 62.895 63.100 -0.138 0.000 0.992 68 P CB -0.024 31.569 31.700 -0.178 0.000 1.230 69 R N 5.391 125.861 120.500 -0.050 0.000 2.718 69 R HA 0.226 4.578 4.340 0.020 0.000 0.266 69 R C -0.480 175.826 176.300 0.010 0.000 1.776 69 R CA -0.250 55.848 56.100 -0.003 0.000 1.567 69 R CB 0.326 30.625 30.300 -0.002 0.000 1.336 69 R HN -0.194 8.031 8.270 -0.074 0.000 0.619 70 A N 2.074 124.916 122.820 0.037 0.000 1.929 70 A HA -0.111 4.228 4.320 0.032 0.000 0.216 70 A C 2.160 179.785 177.584 0.069 0.000 1.176 70 A CA 1.607 53.679 52.037 0.060 0.000 0.628 70 A CB -0.009 19.065 19.000 0.123 0.000 0.816 70 A HN 0.259 8.442 8.150 0.055 0.000 0.444 71 I N -2.626 117.989 120.570 0.076 0.000 2.286 71 I HA -0.276 3.940 4.170 0.076 0.000 0.248 71 I C -0.354 175.804 176.117 0.068 0.000 1.115 71 I CA 0.770 62.113 61.300 0.072 0.000 1.392 71 I CB -0.117 37.924 38.000 0.068 0.000 1.065 71 I HN -0.262 7.998 8.210 0.082 0.000 0.418 72 S N -1.953 113.781 115.700 0.056 0.000 3.098 72 S HA -0.229 4.263 4.470 0.036 0.000 0.854 72 S C -0.602 174.051 174.600 0.088 0.000 1.004 72 S CA 0.032 58.266 58.200 0.055 0.000 1.292 72 S CB 0.766 63.996 63.200 0.050 0.000 0.932 72 S HN -0.544 7.779 8.310 0.048 0.016 0.283 73 A N 3.030 125.900 122.820 0.083 0.000 2.370 73 A HA 0.029 4.414 4.320 0.110 0.000 0.238 73 A C -1.047 176.663 177.584 0.210 0.000 1.289 73 A CA -0.464 51.640 52.037 0.113 0.000 0.885 73 A CB 0.211 19.255 19.000 0.073 0.000 0.961 73 A HN 0.015 8.198 8.150 0.056 0.000 0.499 74 F N -2.982 116.971 119.950 0.005 0.000 2.149 74 F HA -0.383 4.147 4.527 0.004 0.000 0.381 74 F C -1.028 174.774 175.800 0.002 0.000 1.228 74 F CA 0.280 58.283 58.000 0.004 0.000 1.167 74 F CB 0.321 39.323 39.000 0.004 0.000 3.604 74 F HN -0.335 7.960 8.300 0.164 0.104 0.451 75 G N 3.235 111.842 108.800 -0.322 0.000 2.742 75 G HA2 -0.093 3.826 3.960 -0.069 0.000 0.686 75 G HA3 -0.093 3.878 3.960 0.018 0.000 0.686 75 G C -2.888 171.907 174.900 -0.175 0.000 1.220 75 G CA -0.923 44.105 45.100 -0.120 0.000 0.783 75 G HN -0.138 7.463 8.290 -1.148 0.000 0.646 76 P HA 0.029 4.370 4.420 -0.132 0.000 0.256 76 P C -0.826 176.432 177.300 -0.071 0.000 1.189 76 P CA 0.089 63.127 63.100 -0.103 0.000 0.808 76 P CB 0.166 31.828 31.700 -0.063 0.000 0.793 77 S N 4.929 120.582 115.700 -0.078 0.000 2.661 77 S HA -0.027 4.417 4.470 -0.042 0.000 0.265 77 S C 0.853 175.427 174.600 -0.042 0.000 1.225 77 S CA -0.597 57.571 58.200 -0.053 0.000 0.986 77 S CB 0.691 63.858 63.200 -0.055 0.000 1.008 77 S HN -0.037 8.212 8.310 -0.101 0.000 0.565 78 A N -0.456 122.344 122.820 -0.033 0.000 1.970 78 A HA 0.012 4.316 4.320 -0.026 0.000 0.216 78 A C -0.065 177.501 177.584 -0.029 0.000 1.170 78 A CA 1.247 53.267 52.037 -0.028 0.000 0.645 78 A CB -0.093 18.893 19.000 -0.023 0.000 0.816 78 A HN 0.315 8.446 8.150 -0.031 0.000 0.447 79 S N -2.568 113.113 115.700 -0.033 0.000 2.612 79 S HA -0.014 4.437 4.470 -0.032 0.000 0.167 79 S C -0.412 174.167 174.600 -0.035 0.000 0.961 79 S CA 0.264 58.445 58.200 -0.032 0.000 1.085 79 S CB 0.225 63.409 63.200 -0.026 0.000 1.477 79 S HN -0.647 7.642 8.310 -0.035 0.000 0.413 80 G N 3.864 112.639 108.800 -0.042 0.000 3.003 80 G HA2 0.047 3.981 3.960 -0.043 0.000 0.266 80 G HA3 0.047 3.975 3.960 -0.053 0.000 0.266 80 G C -0.587 174.292 174.900 -0.035 0.000 0.755 80 G CA 0.130 45.204 45.100 -0.044 0.000 2.061 80 G HN 0.294 8.557 8.290 -0.045 0.000 0.599 81 S N 2.295 117.977 115.700 -0.031 0.000 2.641 81 S HA -0.094 4.362 4.470 -0.023 0.000 0.261 81 S C -0.336 174.250 174.600 -0.024 0.000 1.257 81 S CA 0.477 58.662 58.200 -0.025 0.000 0.983 81 S CB 0.906 64.091 63.200 -0.024 0.000 0.990 81 S HN -0.183 8.049 8.310 -0.032 0.059 0.572 82 A N -1.264 121.545 122.820 -0.018 0.000 1.554 82 A HA -0.163 4.151 4.320 -0.010 0.000 0.210 82 A C -0.692 176.886 177.584 -0.009 0.000 1.250 82 A CA 0.276 52.304 52.037 -0.014 0.000 0.617 82 A CB -0.694 18.294 19.000 -0.020 0.000 1.224 82 A HN 0.316 8.456 8.150 -0.017 0.000 0.190 83 G N 0.457 109.255 108.800 -0.004 0.000 2.826 83 G HA2 0.029 3.989 3.960 -0.000 0.000 0.197 83 G HA3 0.029 3.988 3.960 -0.002 0.000 0.197 83 G C 0.675 175.580 174.900 0.007 0.000 1.072 83 G CA 1.185 46.285 45.100 -0.000 0.000 0.733 83 G HN 0.472 8.760 8.290 -0.003 0.000 0.674 84 Q N -0.378 119.426 119.800 0.007 0.000 2.349 84 Q HA 0.292 4.641 4.340 0.014 0.000 0.209 84 Q C -0.024 175.985 176.000 0.016 0.000 0.920 84 Q CA 0.594 56.404 55.803 0.012 0.000 0.901 84 Q CB 0.886 29.629 28.738 0.009 0.000 1.021 84 Q HN 0.171 8.444 8.270 0.004 0.000 0.519 85 A N 0.347 123.175 122.820 0.013 0.000 2.386 85 A HA 0.325 4.659 4.320 0.023 0.000 0.308 85 A C -2.293 175.299 177.584 0.013 0.000 1.128 85 A CA -0.190 51.857 52.037 0.016 0.000 0.789 85 A CB 1.839 20.847 19.000 0.013 0.000 1.325 85 A HN -0.529 7.625 8.150 0.008 0.000 0.437 86 E N -1.203 119.008 120.200 0.018 0.000 2.343 86 E HA 0.028 4.372 4.350 -0.010 0.000 0.286 86 E C -0.652 175.954 176.600 0.010 0.000 0.915 86 E CA -0.362 56.042 56.400 0.007 0.000 0.784 86 E CB 2.610 32.320 29.700 0.016 0.000 1.251 86 E HN -0.127 8.250 8.360 0.027 0.000 0.407 87 E N 3.975 124.163 120.200 -0.020 0.000 2.077 87 E HA -0.256 4.098 4.350 0.006 0.000 0.193 87 E C -0.198 176.392 176.600 -0.017 0.000 0.989 87 E CA 1.743 58.131 56.400 -0.020 0.000 0.800 87 E CB 0.084 29.755 29.700 -0.048 0.000 0.746 87 E HN 0.397 8.735 8.360 -0.036 0.000 0.452 88 E N -4.434 115.707 120.200 -0.098 0.000 2.586 88 E HA -0.331 3.782 4.350 -0.395 0.000 0.259 88 E C -2.127 174.358 176.600 -0.191 0.000 1.107 88 E CA 0.237 56.554 56.400 -0.138 0.000 0.754 88 E CB -0.610 29.226 29.700 0.226 0.000 1.335 88 E HN 0.091 8.370 8.360 -0.135 0.000 0.411 89 N N -1.888 116.646 118.700 -0.277 0.000 2.439 89 N HA -0.000 4.734 4.740 -0.003 0.004 0.243 89 N C -0.912 174.414 175.510 -0.308 0.000 1.088 89 N CA -0.230 52.722 53.050 -0.163 0.000 0.940 89 N CB -0.278 38.150 38.487 -0.098 0.000 1.180 89 N HN -0.387 7.806 8.380 -0.277 0.020 0.505 90 F N 4.345 124.178 119.950 -0.195 0.000 2.368 90 F HA 0.033 4.494 4.527 -0.110 0.000 0.362 90 F C -1.127 174.677 175.800 0.006 0.000 1.137 90 F CA -0.495 57.426 58.000 -0.132 0.000 1.161 90 F CB 0.267 39.130 39.000 -0.228 0.000 1.265 90 F HN -0.252 8.243 8.300 0.325 0.000 0.530 91 E N 2.124 122.454 120.200 0.218 0.000 2.291 91 E HA 0.382 5.040 4.350 0.362 -0.090 0.276 91 E C -1.627 175.258 176.600 0.475 0.000 0.896 91 E CA -0.877 55.727 56.400 0.339 0.000 0.774 91 E CB 3.522 33.374 29.700 0.253 0.000 1.227 91 E HN -0.109 8.332 8.360 0.134 0.000 0.413 92 F N -0.112 120.012 119.950 0.291 0.000 2.561 92 F HA 0.530 5.205 4.527 0.079 -0.101 0.321 92 F C -2.869 173.003 175.800 0.120 0.000 1.065 92 F CA -2.663 55.434 58.000 0.163 0.000 0.934 92 F CB 2.728 41.822 39.000 0.157 0.000 1.215 92 F HN 0.319 8.924 8.300 0.509 0.000 0.471 93 L N -0.723 120.451 121.223 -0.081 0.000 2.342 93 L HA 0.621 4.902 4.340 -0.392 -0.176 0.271 93 L C -1.024 175.780 176.870 -0.111 0.000 1.008 93 L CA -1.140 53.539 54.840 -0.268 0.000 0.818 93 L CB 3.723 45.560 42.059 -0.371 0.000 1.296 93 L HN 0.792 8.943 8.230 0.059 0.114 0.427 94 I N 1.565 122.026 120.570 -0.183 0.000 2.359 94 I HA 0.489 4.808 4.170 -0.026 -0.164 0.284 94 I C -0.681 175.320 176.117 -0.194 0.000 1.018 94 I CA -2.481 58.746 61.300 -0.120 0.000 1.173 94 I CB -0.444 37.487 38.000 -0.114 0.000 1.326 94 I HN 0.873 8.772 8.210 -0.299 0.132 0.462 95 V N 9.013 128.843 119.914 -0.140 0.000 2.407 95 V HA 0.411 4.606 4.120 -0.140 -0.159 0.278 95 V C -0.234 175.768 176.094 -0.153 0.000 1.037 95 V CA -0.776 61.443 62.300 -0.135 0.000 0.900 95 V CB 0.746 32.516 31.823 -0.088 0.000 0.983 95 V HN 1.016 9.040 8.190 -0.094 0.110 0.459 96 S N 5.754 121.356 115.700 -0.163 0.000 2.666 96 S HA 0.333 4.700 4.470 -0.171 0.000 0.279 96 S C 1.356 175.904 174.600 -0.087 0.000 1.149 96 S CA -1.213 56.897 58.200 -0.150 0.000 1.020 96 S CB 1.652 64.758 63.200 -0.157 0.000 1.127 96 S HN 0.678 8.789 8.310 -0.147 0.111 0.537 97 S N 0.574 116.232 115.700 -0.070 0.000 2.496 97 S HA 0.023 4.465 4.470 -0.047 0.000 0.224 97 S C 0.687 175.270 174.600 -0.028 0.000 0.996 97 S CA 2.500 60.672 58.200 -0.047 0.000 0.927 97 S CB 0.260 63.434 63.200 -0.043 0.000 0.774 97 S HN 0.496 8.758 8.310 -0.079 0.000 0.524 98 T N -0.640 113.902 114.554 -0.020 0.000 3.223 98 T HA 0.093 4.442 4.350 -0.002 0.000 0.259 98 T C 0.555 175.256 174.700 0.002 0.000 1.015 98 T CA -0.912 61.188 62.100 -0.001 0.000 0.908 98 T CB -0.607 68.272 68.868 0.017 0.000 1.054 98 T HN -0.496 7.690 8.240 -0.027 0.037 0.567 99 G N 1.201 109.993 108.800 -0.013 0.000 2.304 99 G HA2 -0.269 3.677 3.960 -0.023 0.000 0.252 99 G HA3 -0.269 3.689 3.960 -0.004 0.000 0.252 99 G C -0.518 174.379 174.900 -0.005 0.000 1.014 99 G CA 0.281 45.374 45.100 -0.012 0.000 0.619 99 G HN -0.723 7.457 8.290 -0.025 0.094 0.525 100 Q N 1.093 120.903 119.800 0.016 0.000 2.262 100 Q HA -0.137 4.257 4.340 0.091 0.000 0.298 100 Q C -1.134 174.878 176.000 0.019 0.000 1.083 100 Q CA 0.675 56.517 55.803 0.065 0.000 0.962 100 Q CB 0.805 29.620 28.738 0.128 0.000 1.104 100 Q HN -0.048 8.118 8.270 0.015 0.112 0.376 101 T N 7.849 122.439 114.554 0.060 0.000 2.833 101 T HA 0.563 5.109 4.350 -0.082 -0.245 0.297 101 T C -0.489 174.250 174.700 0.066 0.000 1.015 101 T CA -1.167 60.929 62.100 -0.008 0.000 0.963 101 T CB 0.973 69.802 68.868 -0.064 0.000 0.955 101 T HN 0.024 8.314 8.240 0.083 0.000 0.449 102 W N 7.223 128.287 121.300 -0.393 0.000 2.357 102 W HA 0.046 4.286 4.660 -0.699 0.000 0.317 102 W C -1.314 174.563 176.519 -1.070 0.000 1.101 102 W CA -2.274 54.590 57.345 -0.801 0.000 1.380 102 W CB -0.291 28.619 29.460 -0.917 0.000 1.266 102 W HN 1.153 9.180 8.180 -0.073 0.109 0.419 103 H N 6.843 125.445 119.070 -0.780 0.000 2.594 103 H HA 0.311 4.651 4.556 -0.578 -0.131 0.304 103 H C -1.739 173.244 175.328 -0.575 0.000 1.068 103 H CA -1.647 54.034 56.048 -0.612 0.000 1.308 103 H CB 0.952 30.513 29.762 -0.336 0.000 1.409 103 H HN 0.293 8.313 8.280 -0.434 0.000 0.460 104 F N 5.011 124.952 119.950 -0.014 0.000 2.579 104 F HA 0.947 5.725 4.527 0.031 -0.232 0.324 104 F C -1.313 174.482 175.800 -0.009 0.000 1.058 104 F CA -3.296 54.621 58.000 -0.138 0.000 0.944 104 F CB 4.305 43.013 39.000 -0.487 0.000 1.245 104 F HN 0.705 8.821 8.300 -0.307 0.000 0.477 105 E N 1.326 121.663 120.200 0.228 0.000 2.207 105 E HA 0.357 4.727 4.350 0.034 0.000 0.250 105 E C -1.314 175.331 176.600 0.074 0.000 0.890 105 E CA -1.972 54.397 56.400 -0.051 0.000 0.749 105 E CB 2.412 31.667 29.700 -0.742 0.000 1.193 105 E HN 0.276 8.804 8.360 0.319 0.024 0.423 106 A N 6.821 129.783 122.820 0.237 0.000 2.567 106 A HA -0.169 4.231 4.320 0.134 0.000 0.240 106 A C -0.505 177.155 177.584 0.126 0.000 1.053 106 A CA 0.922 53.078 52.037 0.199 0.000 0.755 106 A CB 0.046 19.206 19.000 0.267 0.000 0.978 106 A HN 0.660 9.045 8.150 0.393 0.000 0.507 107 A N 3.731 126.604 122.820 0.088 0.000 1.969 107 A HA -0.055 4.300 4.320 0.059 0.000 0.218 107 A C -0.195 177.418 177.584 0.048 0.000 1.169 107 A CA 1.324 53.400 52.037 0.065 0.000 0.635 107 A CB 0.639 19.679 19.000 0.067 0.000 0.810 107 A HN 0.577 8.773 8.150 0.076 0.000 0.445 108 S N -3.267 112.466 115.700 0.056 0.000 2.537 108 S HA 0.194 4.619 4.470 -0.076 0.000 0.301 108 S C 0.269 174.916 174.600 0.078 0.000 1.092 108 S CA -2.098 56.108 58.200 0.009 0.000 1.048 108 S CB 1.807 64.998 63.200 -0.015 0.000 1.053 108 S HN -0.540 7.798 8.310 0.080 0.020 0.501 109 F N 4.577 124.308 119.950 -0.365 0.000 2.186 109 F HA -0.266 3.638 4.527 -1.039 0.000 0.299 109 F C 1.528 177.127 175.800 -0.334 0.000 1.090 109 F CA 1.978 59.563 58.000 -0.693 0.000 1.307 109 F CB -0.660 37.822 39.000 -0.864 0.000 1.019 109 F HN 0.729 8.963 8.300 -0.110 0.000 0.489 110 E N -1.824 118.383 120.200 0.012 0.000 2.107 110 E HA -0.201 4.161 4.350 0.020 0.000 0.191 110 E C 2.312 178.931 176.600 0.030 0.000 0.982 110 E CA 2.699 59.107 56.400 0.013 0.000 0.809 110 E CB -0.459 29.239 29.700 -0.003 0.000 0.756 110 E HN 0.135 8.497 8.360 0.002 0.000 0.459 111 E N -0.334 119.903 120.200 0.061 0.000 2.077 111 E HA -0.265 4.145 4.350 0.100 0.000 0.193 111 E C 2.001 178.744 176.600 0.238 0.000 0.989 111 E CA 3.393 59.887 56.400 0.155 0.000 0.800 111 E CB -0.405 29.417 29.700 0.203 0.000 0.746 111 E HN 0.174 8.482 8.360 0.045 0.079 0.452 112 R N -2.090 118.500 120.500 0.151 0.000 2.105 112 R HA -0.320 4.034 4.340 0.023 0.000 0.239 112 R C 2.026 178.292 176.300 -0.057 0.000 1.135 112 R CA 3.368 59.508 56.100 0.067 0.000 0.967 112 R CB -1.041 29.367 30.300 0.180 0.000 0.861 112 R HN -0.354 7.987 8.270 0.118 0.000 0.442 113 D N -0.279 120.130 120.400 0.015 0.000 2.103 113 D HA -0.199 4.426 4.640 -0.024 0.000 0.199 113 D C 1.882 178.156 176.300 -0.042 0.000 0.978 113 D CA 3.111 57.105 54.000 -0.010 0.000 0.829 113 D CB -0.493 40.320 40.800 0.021 0.000 0.981 113 D HN -0.765 7.520 8.370 0.047 0.113 0.464 114 A N 0.146 122.943 122.820 -0.039 0.000 1.883 114 A HA -0.288 3.973 4.320 -0.099 0.000 0.217 114 A C 2.138 179.631 177.584 -0.151 0.000 1.186 114 A CA 3.012 54.983 52.037 -0.110 0.000 0.624 114 A CB -0.772 18.133 19.000 -0.159 0.000 0.822 114 A HN -0.417 7.728 8.150 -0.008 0.000 0.444 115 W N -3.134 118.057 121.300 -0.181 0.000 2.332 115 W HA -0.445 4.175 4.660 -0.067 0.000 0.321 115 W C 2.214 178.571 176.519 -0.270 0.000 1.219 115 W CA 4.383 61.601 57.345 -0.210 0.000 1.277 115 W CB -0.138 29.128 29.460 -0.324 0.000 1.161 115 W HN 0.152 8.393 8.180 0.102 0.000 0.476 116 V N -1.805 117.974 119.914 -0.226 0.000 2.469 116 V HA -0.561 3.507 4.120 -0.086 0.000 0.251 116 V C 2.783 178.863 176.094 -0.022 0.000 1.064 116 V CA 4.123 66.332 62.300 -0.151 0.000 1.066 116 V CB -0.694 31.028 31.823 -0.169 0.000 0.667 116 V HN -0.223 7.764 8.190 -0.338 0.000 0.461 117 Q N -0.843 118.933 119.800 -0.039 0.000 2.245 117 Q HA -0.155 4.177 4.340 -0.014 0.000 0.201 117 Q C 2.328 178.311 176.000 -0.027 0.000 0.955 117 Q CA 2.571 58.357 55.803 -0.029 0.000 0.870 117 Q CB -0.496 28.217 28.738 -0.042 0.000 0.945 117 Q HN 0.290 8.413 8.270 -0.063 0.109 0.461 118 A N 1.067 123.860 122.820 -0.045 0.000 1.873 118 A HA -0.235 4.043 4.320 -0.071 0.000 0.215 118 A C 2.104 179.706 177.584 0.030 0.000 1.186 118 A CA 3.132 55.135 52.037 -0.056 0.000 0.616 118 A CB -0.751 18.140 19.000 -0.182 0.000 0.823 118 A HN 0.404 8.301 8.150 -0.057 0.219 0.442 119 I N -1.393 119.244 120.570 0.111 0.000 2.202 119 I HA -0.545 3.717 4.170 0.152 0.000 0.242 119 I C 2.044 178.205 176.117 0.073 0.000 1.091 119 I CA 4.785 66.173 61.300 0.146 0.000 1.368 119 I CB -0.154 37.995 38.000 0.249 0.000 1.058 119 I HN 0.526 8.816 8.210 0.133 0.000 0.410 120 E N -1.221 119.011 120.200 0.054 0.000 2.150 120 E HA -0.388 3.977 4.350 0.024 0.000 0.193 120 E C 2.381 178.987 176.600 0.010 0.000 0.985 120 E CA 3.255 59.671 56.400 0.026 0.000 0.814 120 E CB -0.347 29.365 29.700 0.020 0.000 0.752 120 E HN -0.462 7.934 8.360 0.061 0.000 0.466 121 S N 0.255 115.959 115.700 0.006 0.000 2.355 121 S HA -0.309 4.156 4.470 -0.007 0.000 0.222 121 S C 2.225 176.823 174.600 -0.003 0.000 1.031 121 S CA 3.521 61.718 58.200 -0.005 0.000 0.993 121 S CB -0.155 63.035 63.200 -0.017 0.000 0.859 121 S HN -0.020 8.086 8.310 0.009 0.209 0.453 122 Q N 0.966 120.770 119.800 0.006 0.000 2.170 122 Q HA -0.263 4.080 4.340 0.004 0.000 0.203 122 Q C 2.733 178.727 176.000 -0.009 0.000 0.976 122 Q CA 3.273 59.080 55.803 0.006 0.000 0.858 122 Q CB -0.236 28.518 28.738 0.027 0.000 0.907 122 Q HN -0.102 8.072 8.270 0.015 0.105 0.433 123 I N 0.804 121.369 120.570 -0.009 0.000 2.353 123 I HA -0.233 4.160 4.170 -0.036 -0.245 0.248 123 I C 2.256 178.362 176.117 -0.019 0.000 1.119 123 I CA 3.519 64.806 61.300 -0.022 0.000 1.417 123 I CB 0.081 38.070 38.000 -0.018 0.000 1.078 123 I HN -0.346 7.758 8.210 0.003 0.107 0.421 124 L N -0.507 120.709 121.223 -0.012 0.000 2.141 124 L HA -0.367 3.966 4.340 -0.012 0.000 0.209 124 L C 1.682 178.545 176.870 -0.012 0.000 1.094 124 L CA 3.361 58.194 54.840 -0.011 0.000 0.763 124 L CB -0.328 41.726 42.059 -0.008 0.000 0.908 124 L HN -0.100 8.030 8.230 -0.008 0.095 0.437 125 A N -1.700 121.113 122.820 -0.011 0.000 1.930 125 A HA -0.169 4.145 4.320 -0.009 0.000 0.215 125 A C 1.626 179.202 177.584 -0.013 0.000 1.176 125 A CA 2.692 54.723 52.037 -0.010 0.000 0.632 125 A CB -0.587 18.409 19.000 -0.006 0.000 0.819 125 A HN -0.016 8.112 8.150 -0.011 0.016 0.445 126 S N -2.039 113.649 115.700 -0.020 0.000 2.436 126 S HA -0.116 4.340 4.470 -0.024 0.000 0.228 126 S C 1.617 176.201 174.600 -0.027 0.000 1.014 126 S CA 2.247 60.430 58.200 -0.028 0.000 0.950 126 S CB 0.504 63.676 63.200 -0.047 0.000 0.784 126 S HN -0.556 7.741 8.310 -0.021 0.000 0.504 127 L N 0.981 122.190 121.223 -0.024 0.000 2.044 127 L HA -0.213 4.112 4.340 -0.024 0.000 0.205 127 L C 1.047 177.907 176.870 -0.016 0.000 1.075 127 L CA 1.947 56.774 54.840 -0.021 0.000 0.747 127 L CB 0.281 42.328 42.059 -0.020 0.000 0.903 127 L HN -0.178 8.017 8.230 -0.023 0.022 0.435 128 Q N 0.000 119.792 119.800 -0.013 0.000 2.315 128 Q HA 0.000 4.334 4.340 -0.010 0.000 0.214 128 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 128 Q CB 0.000 28.733 28.738 -0.008 0.000 1.108 128 Q HN 0.000 8.262 8.270 -0.013 0.000 0.481