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 2kln_1_A DATA FIRST_RESID 1 DATA SEQUENCE MHDIDDYPQA KRVPGLVVYR YDAPLCFANA EDFRRRALTV VDQDPGQVEW DATA SEQUENCE FVLNAESNVE VDLTALDALD QLRTELLRRG IVFAMARVKQ DLRESLRAAS DATA SEQUENCE LLDKIGEDHI FMTLPTAVQA FRRR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.460 4.480 -0.033 0.000 0.227 1 M C 0.000 176.153 176.300 -0.245 0.000 1.140 1 M CA 0.000 55.247 55.300 -0.089 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.019 0.000 1.302 2 H N -1.234 117.844 119.070 0.013 0.000 2.974 2 H HA 0.194 4.747 4.556 -0.004 0.000 0.366 2 H C -1.302 174.029 175.328 0.004 0.000 1.155 2 H CA 0.444 56.493 56.048 0.002 0.000 1.186 2 H CB 1.622 31.383 29.762 -0.000 0.000 1.799 2 H HN 0.227 8.556 8.280 0.082 0.000 0.541 3 D N 0.229 120.717 120.400 0.146 0.000 10.579 3 D HA -0.273 4.414 4.640 0.078 0.000 0.361 3 D C 0.725 177.070 176.300 0.075 0.000 3.052 3 D CA 1.275 55.328 54.000 0.089 0.000 2.480 3 D CB 0.344 41.189 40.800 0.075 0.000 1.162 3 D HN 0.220 8.689 8.370 0.165 0.000 0.997 4 I N -7.257 113.364 120.570 0.085 0.000 4.046 4 I HA -0.637 3.798 4.170 0.126 -0.189 0.120 4 I C -1.457 174.745 176.117 0.141 0.000 0.455 4 I CA 2.038 63.401 61.300 0.105 0.000 1.209 4 I CB -0.408 37.632 38.000 0.067 0.000 1.068 4 I HN 0.368 8.627 8.210 0.082 0.000 0.196 5 D N -0.343 120.109 120.400 0.086 0.000 3.227 5 D HA 0.016 4.745 4.640 0.148 0.000 0.095 5 D C -1.569 174.715 176.300 -0.027 0.000 1.559 5 D CA 0.229 54.255 54.000 0.043 0.000 1.143 5 D CB 1.763 42.528 40.800 -0.059 0.000 2.687 5 D HN -0.349 7.909 8.370 0.063 0.150 0.286 6 D N -2.086 118.242 120.400 -0.120 0.000 10.852 6 D HA -0.294 4.272 4.640 -0.123 0.000 0.361 6 D C -1.810 174.364 176.300 -0.209 0.000 3.101 6 D CA 0.926 54.849 54.000 -0.130 0.000 2.575 6 D CB 0.023 40.786 40.800 -0.063 0.000 1.168 6 D HN 0.024 8.309 8.370 -0.142 0.000 0.953 7 Y N 1.719 122.014 120.300 -0.009 0.000 2.535 7 Y HA 0.087 4.661 4.550 0.039 0.000 0.349 7 Y C -1.125 174.780 175.900 0.007 0.000 0.992 7 Y CA -1.950 56.157 58.100 0.012 0.000 1.248 7 Y CB 0.161 38.621 38.460 0.000 0.000 1.124 7 Y HN 0.049 8.440 8.280 0.185 0.000 0.520 8 P HA -0.064 4.348 4.420 -0.013 0.000 0.216 8 P C -0.442 176.940 177.300 0.136 0.000 1.153 8 P CA 0.733 63.889 63.100 0.093 0.000 0.844 8 P CB 0.745 32.570 31.700 0.209 0.000 0.787 9 Q N -3.891 116.014 119.800 0.176 0.000 1.600 9 Q HA -0.058 4.349 4.340 0.111 0.000 0.145 9 Q C -1.223 174.849 176.000 0.121 0.000 0.519 9 Q CA -0.086 55.801 55.803 0.140 0.000 0.846 9 Q CB 1.541 30.373 28.738 0.157 0.000 0.912 9 Q HN -0.451 7.939 8.270 0.200 0.000 0.200 10 A N 0.185 123.075 122.820 0.116 0.000 1.554 10 A HA -0.192 4.174 4.320 0.077 0.000 0.210 10 A C -1.198 176.416 177.584 0.051 0.000 1.250 10 A CA 0.550 52.637 52.037 0.083 0.000 0.617 10 A CB -0.459 18.598 19.000 0.096 0.000 1.224 10 A HN 0.084 8.310 8.150 0.128 0.000 0.190 11 K N 2.520 122.945 120.400 0.043 0.000 2.079 11 K HA -0.137 4.207 4.320 0.039 0.000 0.214 11 K C -0.029 176.581 176.600 0.017 0.000 1.024 11 K CA 1.166 57.476 56.287 0.038 0.000 0.948 11 K CB 0.400 32.933 32.500 0.056 0.000 0.830 11 K HN 0.339 8.616 8.250 0.046 0.000 0.452 12 R N -6.780 113.726 120.500 0.010 0.000 3.431 12 R HA 0.068 4.382 4.340 -0.044 0.000 0.267 12 R C -1.373 174.916 176.300 -0.019 0.000 0.910 12 R CA -0.588 55.502 56.100 -0.017 0.000 0.782 12 R CB 0.994 31.290 30.300 -0.006 0.000 1.663 12 R HN -0.586 7.701 8.270 0.028 0.000 0.451 13 V N -1.664 118.233 119.914 -0.027 0.000 2.252 13 V HA -0.205 3.875 4.120 -0.065 0.000 0.249 13 V C -0.990 175.128 176.094 0.041 0.000 1.056 13 V CA 3.703 65.990 62.300 -0.021 0.000 1.022 13 V CB -1.141 30.670 31.823 -0.019 0.000 0.641 13 V HN 0.144 8.316 8.190 -0.029 0.000 0.445 14 P HA 0.041 4.532 4.420 0.118 0.000 0.294 14 P C -0.753 176.617 177.300 0.117 0.000 1.294 14 P CA -0.976 62.181 63.100 0.094 0.000 0.827 14 P CB 0.100 31.844 31.700 0.073 0.000 0.992 15 G N 2.726 111.628 108.800 0.171 0.000 2.225 15 G HA2 -0.460 3.650 3.960 0.250 0.000 0.264 15 G HA3 -0.460 3.591 3.960 0.152 0.000 0.264 15 G C -0.919 174.081 174.900 0.166 0.000 1.060 15 G CA 0.579 45.792 45.100 0.190 0.000 0.833 15 G HN -0.074 8.507 8.290 0.198 -0.172 0.498 16 L N -0.419 120.918 121.223 0.190 0.000 2.334 16 L HA 0.318 4.704 4.340 0.077 0.000 0.277 16 L C -1.617 175.253 176.870 0.000 0.000 1.075 16 L CA -0.312 54.609 54.840 0.135 0.000 0.804 16 L CB 2.129 44.290 42.059 0.170 0.000 1.174 16 L HN -0.541 7.842 8.230 0.256 0.000 0.438 17 V N 4.481 124.302 119.914 -0.154 0.000 2.924 17 V HA 1.010 5.060 4.120 -0.633 -0.309 0.300 17 V C -2.333 173.626 176.094 -0.224 0.000 1.227 17 V CA -2.217 59.749 62.300 -0.558 0.000 0.954 17 V CB 3.212 34.275 31.823 -1.266 0.000 1.055 17 V HN -0.166 7.999 8.190 -0.042 0.000 0.429 18 V N -0.008 119.804 119.914 -0.171 0.000 3.001 18 V HA 0.581 4.784 4.120 0.138 0.000 0.314 18 V C -2.356 173.707 176.094 -0.053 0.000 1.099 18 V CA -2.789 59.532 62.300 0.035 0.000 0.989 18 V CB 3.453 35.387 31.823 0.185 0.000 1.040 18 V HN 0.131 8.169 8.190 -0.252 0.000 0.434 19 Y N -0.290 120.043 120.300 0.054 0.000 2.419 19 Y HA 0.914 5.791 4.550 0.043 -0.301 0.328 19 Y C 0.866 176.813 175.900 0.079 0.000 1.162 19 Y CA -1.372 56.763 58.100 0.058 0.000 1.174 19 Y CB 2.551 41.047 38.460 0.061 0.000 1.228 19 Y HN 0.123 8.669 8.280 0.443 0.000 0.473 20 R N 2.553 123.151 120.500 0.164 0.000 2.345 20 R HA -0.031 4.309 4.340 0.001 0.000 0.331 20 R C -0.311 175.965 176.300 -0.040 0.000 1.067 20 R CA -0.566 55.529 56.100 -0.009 0.000 0.962 20 R CB -0.595 29.648 30.300 -0.096 0.000 0.987 20 R HN 0.356 8.609 8.270 0.146 0.105 0.451 21 Y N 1.552 121.928 120.300 0.127 0.000 2.969 21 Y HA -0.268 4.329 4.550 0.079 0.000 0.339 21 Y C -0.344 175.606 175.900 0.083 0.000 1.272 21 Y CA -1.305 56.850 58.100 0.092 0.000 1.577 21 Y CB -0.030 38.477 38.460 0.079 0.000 1.234 21 Y HN -0.264 8.211 8.280 0.325 0.000 0.590 22 D N 5.573 126.055 120.400 0.137 0.000 2.639 22 D HA 0.018 4.667 4.640 0.015 0.000 0.233 22 D C -1.609 174.754 176.300 0.104 0.000 1.161 22 D CA 0.242 54.285 54.000 0.072 0.000 1.003 22 D CB -1.434 39.402 40.800 0.060 0.000 1.034 22 D HN 0.347 8.819 8.370 0.169 0.000 0.514 23 A N 2.191 125.098 122.820 0.144 0.000 2.532 23 A HA 0.238 4.614 4.320 0.092 0.000 0.296 23 A C -3.279 174.397 177.584 0.154 0.000 1.058 23 A CA -1.605 50.517 52.037 0.142 0.000 0.729 23 A CB 1.991 21.081 19.000 0.151 0.000 1.285 23 A HN -0.632 7.559 8.150 0.138 0.041 0.396 24 P HA -0.120 4.444 4.420 0.092 -0.090 0.258 24 P C -0.715 176.645 177.300 0.100 0.000 1.214 24 P CA 0.311 63.465 63.100 0.090 0.000 0.872 24 P CB -0.535 31.200 31.700 0.058 0.000 0.890 25 L N 1.769 123.081 121.223 0.148 0.000 2.731 25 L HA 0.287 4.654 4.340 0.045 0.000 0.240 25 L C 0.519 177.458 176.870 0.115 0.000 1.120 25 L CA -0.698 54.207 54.840 0.108 0.000 0.913 25 L CB -0.276 41.859 42.059 0.125 0.000 1.213 25 L HN 0.410 8.754 8.230 0.191 0.000 0.515 26 C N -0.529 118.860 119.300 0.148 0.000 5.850 26 C HA -0.629 3.921 4.460 0.150 0.000 0.326 26 C C -1.322 173.845 174.990 0.295 0.000 2.419 26 C CA 3.523 62.645 59.018 0.172 0.000 2.185 26 C CB -0.516 27.305 27.740 0.134 0.000 3.236 26 C HN -0.222 8.050 8.230 0.144 0.045 0.286 27 F N -0.973 119.021 119.950 0.074 0.000 3.301 27 F HA 0.000 4.608 4.527 0.134 0.000 0.381 27 F C -0.257 175.586 175.800 0.071 0.000 1.186 27 F CA -0.005 58.051 58.000 0.093 0.000 0.840 27 F CB 0.111 39.160 39.000 0.081 0.000 1.710 27 F HN -0.376 8.044 8.300 0.200 0.000 0.489 28 A N 4.778 127.545 122.820 -0.089 0.000 1.881 28 A HA -0.349 3.896 4.320 -0.125 0.000 0.219 28 A C -0.093 177.320 177.584 -0.285 0.000 1.215 28 A CA 2.969 54.909 52.037 -0.161 0.000 0.648 28 A CB -0.414 18.539 19.000 -0.077 0.000 0.832 28 A HN -0.296 7.869 8.150 0.026 0.000 0.455 29 N N -4.556 114.010 118.700 -0.223 0.000 2.204 29 N HA 0.037 4.655 4.740 -0.203 0.000 0.219 29 N C -0.455 175.003 175.510 -0.087 0.000 1.151 29 N CA -0.691 52.255 53.050 -0.173 0.000 0.867 29 N CB -0.581 37.841 38.487 -0.108 0.000 1.043 29 N HN -0.033 8.241 8.380 -0.177 0.000 0.516 30 A N 0.423 123.164 122.820 -0.133 0.000 2.121 30 A HA -0.239 4.446 4.320 0.608 0.000 0.218 30 A C 1.645 179.335 177.584 0.177 0.000 1.154 30 A CA 2.490 54.664 52.037 0.229 0.000 0.679 30 A CB -0.434 18.771 19.000 0.341 0.000 0.795 30 A HN -0.010 7.715 8.150 -0.334 0.225 0.458 31 E N -0.304 119.855 120.200 -0.068 0.000 2.001 31 E HA -0.426 4.051 4.350 0.211 0.000 0.193 31 E C 1.481 178.123 176.600 0.070 0.000 0.994 31 E CA 3.621 60.059 56.400 0.064 0.000 0.815 31 E CB -0.307 29.393 29.700 -0.000 0.000 0.770 31 E HN 0.031 8.124 8.360 -0.357 0.052 0.453 32 D N -1.195 119.231 120.400 0.042 0.000 2.224 32 D HA -0.204 4.457 4.640 0.035 0.000 0.205 32 D C 1.961 178.308 176.300 0.078 0.000 0.965 32 D CA 2.773 56.801 54.000 0.048 0.000 0.852 32 D CB -0.190 40.630 40.800 0.033 0.000 0.947 32 D HN -0.210 8.161 8.370 0.002 0.000 0.494 33 F N 1.455 121.393 119.950 -0.020 0.000 2.102 33 F HA -0.361 4.156 4.527 -0.017 0.000 0.298 33 F C 1.207 177.023 175.800 0.027 0.000 1.105 33 F CA 3.287 61.282 58.000 -0.009 0.000 1.239 33 F CB 0.091 39.076 39.000 -0.024 0.000 0.991 33 F HN -0.009 8.406 8.300 0.218 0.016 0.474 34 R N -1.185 119.141 120.500 -0.290 0.000 2.081 34 R HA -0.412 3.546 4.340 -0.637 0.000 0.235 34 R C 1.989 178.175 176.300 -0.190 0.000 1.131 34 R CA 2.877 58.782 56.100 -0.325 0.000 0.960 34 R CB -0.414 29.873 30.300 -0.021 0.000 0.856 34 R HN -0.073 8.098 8.270 0.047 0.127 0.436 35 R N -0.766 119.687 120.500 -0.078 0.000 2.096 35 R HA -0.340 3.989 4.340 -0.019 0.000 0.229 35 R C 2.474 178.734 176.300 -0.066 0.000 1.134 35 R CA 3.349 59.426 56.100 -0.039 0.000 0.917 35 R CB -0.401 29.897 30.300 -0.003 0.000 0.832 35 R HN -0.339 7.910 8.270 -0.034 0.000 0.430 36 R N -1.489 118.972 120.500 -0.064 0.000 2.112 36 R HA -0.381 3.941 4.340 -0.030 0.000 0.242 36 R C 2.163 178.414 176.300 -0.083 0.000 1.137 36 R CA 2.844 58.915 56.100 -0.050 0.000 0.944 36 R CB -0.660 29.635 30.300 -0.008 0.000 0.857 36 R HN 0.176 8.306 8.270 -0.046 0.113 0.435 37 A N -1.974 120.748 122.820 -0.164 0.000 1.832 37 A HA -0.178 4.086 4.320 -0.093 0.000 0.214 37 A C 2.393 179.907 177.584 -0.117 0.000 1.200 37 A CA 2.952 54.893 52.037 -0.160 0.000 0.610 37 A CB -0.591 18.226 19.000 -0.305 0.000 0.842 37 A HN -0.344 7.652 8.150 -0.257 0.000 0.444 38 L N -2.850 118.310 121.223 -0.106 0.000 2.093 38 L HA -0.267 4.057 4.340 -0.026 0.000 0.208 38 L C 2.821 179.669 176.870 -0.036 0.000 1.085 38 L CA 3.331 58.164 54.840 -0.012 0.000 0.755 38 L CB -0.521 41.608 42.059 0.116 0.000 0.904 38 L HN -0.351 7.780 8.230 -0.164 0.000 0.435 39 T N 0.906 115.441 114.554 -0.032 0.000 2.867 39 T HA -0.363 3.985 4.350 -0.003 0.000 0.268 39 T C 2.103 176.766 174.700 -0.062 0.000 1.057 39 T CA 4.761 66.844 62.100 -0.028 0.000 1.136 39 T CB -0.166 68.691 68.868 -0.018 0.000 0.874 39 T HN 0.197 8.410 8.240 -0.044 0.000 0.466 40 V N 0.363 120.233 119.914 -0.073 0.000 3.052 40 V HA -0.081 4.000 4.120 -0.065 0.000 0.254 40 V C 0.894 176.924 176.094 -0.107 0.000 1.100 40 V CA 1.988 64.244 62.300 -0.074 0.000 1.112 40 V CB 0.362 32.153 31.823 -0.053 0.000 0.738 40 V HN -0.568 7.561 8.190 -0.072 0.018 0.469 41 V N -5.011 114.814 119.914 -0.148 0.000 3.380 41 V HA -0.037 3.982 4.120 -0.169 0.000 0.268 41 V C -0.293 175.607 176.094 -0.323 0.000 1.168 41 V CA 0.716 62.885 62.300 -0.219 0.000 1.156 41 V CB 0.451 32.125 31.823 -0.248 0.000 0.785 41 V HN -0.580 7.528 8.190 -0.135 0.000 0.487 42 D N -2.783 117.460 120.400 -0.261 0.000 3.643 42 D HA -0.198 4.501 4.640 -0.136 -0.140 0.217 42 D C -1.222 174.921 176.300 -0.262 0.000 1.299 42 D CA 1.225 55.087 54.000 -0.230 0.000 0.748 42 D CB -0.724 39.942 40.800 -0.223 0.000 0.399 42 D HN -0.648 7.517 8.370 -0.194 0.089 0.163 43 Q N 0.264 120.035 119.800 -0.048 0.000 2.064 43 Q HA 0.029 4.549 4.340 0.300 0.000 0.213 43 Q C -1.840 174.229 176.000 0.115 0.000 0.779 43 Q CA -0.170 55.736 55.803 0.172 0.000 1.032 43 Q CB 1.774 30.714 28.738 0.337 0.000 1.203 43 Q HN -0.236 8.010 8.270 -0.040 0.000 0.457 44 D N -1.094 119.328 120.400 0.037 0.000 2.061 44 D HA 0.248 4.904 4.640 0.027 0.000 0.314 44 D C -1.679 174.619 176.300 -0.002 0.000 1.237 44 D CA 1.275 55.287 54.000 0.019 0.000 1.206 44 D CB -0.118 40.691 40.800 0.014 0.000 1.911 44 D HN 0.091 8.461 8.370 0.000 0.000 0.481 45 P HA 0.000 4.410 4.420 -0.017 0.000 0.212 45 P C -0.045 177.239 177.300 -0.027 0.000 1.180 45 P CA 0.476 63.563 63.100 -0.023 0.000 0.902 45 P CB 0.344 32.026 31.700 -0.031 0.000 0.778 46 G N -1.011 107.763 108.800 -0.042 0.000 2.353 46 G HA2 0.086 4.026 3.960 -0.034 0.000 0.284 46 G HA3 0.086 4.009 3.960 -0.062 0.000 0.284 46 G C -1.685 173.193 174.900 -0.036 0.000 1.172 46 G CA -0.815 44.258 45.100 -0.045 0.000 0.854 46 G HN -0.331 8.225 8.290 -0.055 -0.299 0.485 47 Q N 3.466 123.254 119.800 -0.019 0.000 2.300 47 Q HA -0.164 4.182 4.340 0.011 0.000 0.262 47 Q C -1.221 174.781 176.000 0.002 0.000 1.109 47 Q CA 0.296 56.098 55.803 -0.001 0.000 0.905 47 Q CB 0.238 28.976 28.738 0.001 0.000 1.280 47 Q HN 0.235 8.494 8.270 -0.019 0.000 0.426 48 V N 5.744 125.675 119.914 0.027 0.000 2.823 48 V HA 0.173 4.300 4.120 0.012 0.000 0.312 48 V C -2.483 173.726 176.094 0.193 0.000 1.072 48 V CA -1.748 60.571 62.300 0.032 0.000 0.937 48 V CB 4.034 35.762 31.823 -0.158 0.000 1.013 48 V HN 0.003 8.229 8.190 0.059 0.000 0.430 49 E N 7.813 128.130 120.200 0.194 0.000 2.035 49 E HA 0.953 5.808 4.350 0.242 -0.360 0.271 49 E C -1.205 175.643 176.600 0.413 0.000 0.953 49 E CA -2.218 54.339 56.400 0.261 0.000 0.777 49 E CB 1.129 30.939 29.700 0.184 0.000 1.104 49 E HN 0.332 8.665 8.360 0.124 0.102 0.408 50 W N 3.356 124.725 121.300 0.116 0.000 2.923 50 W HA 0.903 5.841 4.660 0.175 -0.173 0.373 50 W C -3.232 173.464 176.519 0.294 0.000 1.205 50 W CA -1.887 55.544 57.345 0.143 0.000 1.180 50 W CB 2.427 31.898 29.460 0.019 0.000 1.477 50 W HN 0.256 8.703 8.180 0.445 0.000 0.581 51 F N -7.126 112.730 119.950 -0.157 0.000 2.741 51 F HA 0.811 5.005 4.527 -0.789 -0.141 0.311 51 F C -2.832 172.767 175.800 -0.336 0.000 1.149 51 F CA -1.090 56.667 58.000 -0.404 0.000 0.930 51 F CB 2.669 41.624 39.000 -0.074 0.000 1.312 51 F HN 0.021 8.287 8.300 -0.056 0.000 0.450 52 V N -4.012 115.784 119.914 -0.196 0.000 2.735 52 V HA 1.067 5.207 4.120 -0.283 -0.189 0.310 52 V C -1.866 174.223 176.094 -0.009 0.000 1.061 52 V CA -2.954 59.237 62.300 -0.182 0.000 0.913 52 V CB 3.477 35.194 31.823 -0.177 0.000 1.005 52 V HN 0.017 8.148 8.190 -0.098 0.000 0.428 53 L N -1.264 119.902 121.223 -0.096 0.000 2.424 53 L HA 1.092 5.731 4.340 0.027 -0.282 0.258 53 L C -1.226 175.625 176.870 -0.031 0.000 0.995 53 L CA -2.546 52.271 54.840 -0.037 0.000 0.821 53 L CB 4.038 46.085 42.059 -0.019 0.000 1.383 53 L HN 0.503 8.595 8.230 -0.229 0.000 0.410 54 N N -1.238 117.495 118.700 0.054 0.000 2.371 54 N HA -0.047 4.807 4.740 0.077 -0.069 0.243 54 N C -0.597 175.055 175.510 0.237 0.000 1.287 54 N CA 0.123 53.233 53.050 0.101 0.000 0.911 54 N CB 0.820 39.352 38.487 0.075 0.000 1.142 54 N HN -0.343 8.075 8.380 0.063 0.000 0.451 55 A N 0.022 122.984 122.820 0.236 0.000 1.861 55 A HA -0.100 4.528 4.320 0.513 0.000 0.214 55 A C -0.342 177.344 177.584 0.169 0.000 1.322 55 A CA 2.156 54.353 52.037 0.267 0.000 0.601 55 A CB 0.582 19.661 19.000 0.131 0.000 0.966 55 A HN 0.087 8.320 8.150 0.139 0.000 0.471 56 E N -5.116 115.139 120.200 0.092 0.000 3.454 56 E HA 0.131 4.529 4.350 0.081 0.000 0.208 56 E C 1.453 178.080 176.600 0.045 0.000 1.153 56 E CA 1.027 57.466 56.400 0.065 0.000 1.553 56 E CB 1.934 31.659 29.700 0.041 0.000 1.423 56 E HN -0.074 8.631 8.360 0.075 -0.300 0.662 57 S N 0.239 115.959 115.700 0.034 0.000 2.432 57 S HA -0.021 4.459 4.470 0.017 0.000 0.203 57 S C -0.792 173.817 174.600 0.015 0.000 0.987 57 S CA 1.677 59.889 58.200 0.021 0.000 0.908 57 S CB 1.371 64.581 63.200 0.017 0.000 0.883 57 S HN 0.122 8.865 8.310 0.036 -0.410 0.577 58 N N -0.521 118.186 118.700 0.011 0.000 2.701 58 N HA -0.323 4.409 4.740 -0.014 0.000 0.250 58 N C 0.052 175.556 175.510 -0.009 0.000 1.046 58 N CA 1.122 54.166 53.050 -0.010 0.000 0.733 58 N CB -1.697 36.772 38.487 -0.029 0.000 0.973 58 N HN 0.022 8.944 8.380 0.017 -0.531 0.541 59 V N -5.072 114.842 119.914 -0.001 0.000 2.500 59 V HA -0.251 3.865 4.120 -0.006 0.000 0.243 59 V C 0.822 176.918 176.094 0.003 0.000 1.039 59 V CA 2.788 65.087 62.300 -0.003 0.000 1.053 59 V CB 0.598 32.419 31.823 -0.004 0.000 0.695 59 V HN -0.211 7.953 8.190 0.004 0.029 0.463 60 E N -3.472 116.734 120.200 0.010 0.000 2.476 60 E HA -0.036 4.324 4.350 0.016 0.000 0.199 60 E C 0.767 177.385 176.600 0.029 0.000 1.021 60 E CA 1.117 57.528 56.400 0.018 0.000 0.907 60 E CB -0.491 29.220 29.700 0.018 0.000 0.974 60 E HN 0.081 8.447 8.360 0.010 0.000 0.489 61 V N -5.804 114.125 119.914 0.025 0.000 2.649 61 V HA -0.088 4.120 4.120 0.062 -0.051 0.248 61 V C -1.203 174.922 176.094 0.051 0.000 1.054 61 V CA 1.968 64.293 62.300 0.041 0.000 1.073 61 V CB 0.386 32.221 31.823 0.020 0.000 0.699 61 V HN -0.572 7.555 8.190 0.012 0.070 0.463 62 D N 0.032 120.446 120.400 0.023 0.000 2.425 62 D HA 0.068 4.750 4.640 0.070 0.000 0.240 62 D C -2.219 174.109 176.300 0.047 0.000 1.080 62 D CA -0.896 53.122 54.000 0.031 0.000 0.836 62 D CB 1.625 42.407 40.800 -0.029 0.000 1.125 62 D HN -0.636 7.698 8.370 0.013 0.044 0.525 63 L N 5.904 127.178 121.223 0.085 0.000 2.381 63 L HA 0.340 4.692 4.340 0.019 0.000 0.268 63 L C -0.373 176.500 176.870 0.005 0.000 0.997 63 L CA -0.673 54.199 54.840 0.053 0.000 0.818 63 L CB 3.041 45.149 42.059 0.081 0.000 1.310 63 L HN -0.177 8.135 8.230 0.138 0.000 0.416 64 T N 0.373 114.858 114.554 -0.114 0.000 4.331 64 T HA -0.402 3.790 4.350 -0.262 0.000 0.323 64 T C 0.671 175.227 174.700 -0.241 0.000 0.836 64 T CA 1.613 63.518 62.100 -0.326 0.000 1.985 64 T CB -1.275 67.092 68.868 -0.836 0.000 1.919 64 T HN 0.614 8.808 8.240 -0.077 0.000 0.905 65 A N 1.120 123.904 122.820 -0.061 0.000 1.883 65 A HA -0.333 4.031 4.320 0.073 0.000 0.217 65 A C 1.146 178.733 177.584 0.005 0.000 1.186 65 A CA 3.100 55.148 52.037 0.017 0.000 0.624 65 A CB -0.290 18.732 19.000 0.036 0.000 0.822 65 A HN 0.181 8.274 8.150 -0.040 0.033 0.444 66 L N -5.362 115.852 121.223 -0.014 0.000 2.043 66 L HA -0.376 3.990 4.340 0.043 0.000 0.212 66 L C 1.469 178.332 176.870 -0.012 0.000 1.075 66 L CA 2.738 57.581 54.840 0.005 0.000 0.752 66 L CB -2.166 39.894 42.059 0.003 0.000 0.891 66 L HN -0.622 7.772 8.230 -0.024 -0.179 0.432 67 D N -0.065 120.285 120.400 -0.083 0.000 2.096 67 D HA -0.305 4.312 4.640 -0.038 0.000 0.200 67 D C 1.944 178.254 176.300 0.017 0.000 0.980 67 D CA 3.353 57.305 54.000 -0.080 0.000 0.860 67 D CB 0.343 41.002 40.800 -0.236 0.000 1.005 67 D HN -0.825 7.363 8.370 -0.143 0.096 0.449 68 A N -1.024 121.840 122.820 0.074 0.000 1.832 68 A HA -0.140 4.313 4.320 0.221 0.000 0.214 68 A C 2.081 179.749 177.584 0.140 0.000 1.200 68 A CA 3.186 55.360 52.037 0.227 0.000 0.610 68 A CB -0.651 18.643 19.000 0.491 0.000 0.842 68 A HN -0.472 7.643 8.150 -0.058 0.000 0.444 69 L N -1.816 119.485 121.223 0.130 0.000 2.017 69 L HA -0.293 4.107 4.340 0.099 0.000 0.208 69 L C 1.809 178.718 176.870 0.064 0.000 1.073 69 L CA 3.107 58.006 54.840 0.098 0.000 0.745 69 L CB -1.011 41.109 42.059 0.102 0.000 0.894 69 L HN -0.307 8.006 8.230 0.138 0.000 0.432 70 D N -2.377 118.059 120.400 0.061 0.000 2.213 70 D HA -0.177 4.504 4.640 0.067 0.000 0.205 70 D C 2.208 178.524 176.300 0.025 0.000 0.961 70 D CA 2.802 56.841 54.000 0.066 0.000 0.853 70 D CB 0.218 41.083 40.800 0.109 0.000 0.967 70 D HN 0.139 8.361 8.370 0.057 0.182 0.496 71 Q N -0.294 119.524 119.800 0.029 0.000 2.002 71 Q HA -0.350 3.992 4.340 0.003 0.000 0.204 71 Q C 2.725 178.724 176.000 -0.001 0.000 0.988 71 Q CA 3.495 59.307 55.803 0.015 0.000 0.843 71 Q CB 0.201 28.959 28.738 0.032 0.000 0.908 71 Q HN -0.553 7.742 8.270 0.041 0.000 0.420 72 L N -6.037 115.196 121.223 0.018 0.000 2.291 72 L HA 0.034 4.376 4.340 0.004 0.000 0.214 72 L C 1.943 178.807 176.870 -0.009 0.000 1.120 72 L CA 2.164 57.011 54.840 0.012 0.000 0.799 72 L CB -0.882 41.197 42.059 0.034 0.000 0.925 72 L HN -0.572 7.682 8.230 0.039 0.000 0.446 73 R N 1.019 121.506 120.500 -0.021 0.000 2.092 73 R HA -0.359 3.950 4.340 -0.052 0.000 0.226 73 R C 1.963 178.176 176.300 -0.145 0.000 1.140 73 R CA 3.977 60.039 56.100 -0.065 0.000 0.910 73 R CB -0.250 30.026 30.300 -0.040 0.000 0.822 73 R HN 0.264 8.326 8.270 -0.000 0.208 0.433 74 T N 0.348 114.760 114.554 -0.235 0.000 2.833 74 T HA -0.332 3.884 4.350 -0.436 -0.128 0.269 74 T C 2.025 176.596 174.700 -0.214 0.000 1.054 74 T CA 4.074 65.943 62.100 -0.384 0.000 1.135 74 T CB -0.300 68.174 68.868 -0.657 0.000 0.869 74 T HN -0.039 8.088 8.240 -0.189 0.000 0.466 75 E N 0.958 121.080 120.200 -0.131 0.000 2.072 75 E HA -0.224 4.075 4.350 -0.085 0.000 0.191 75 E C 1.074 177.633 176.600 -0.067 0.000 0.985 75 E CA 2.843 59.194 56.400 -0.081 0.000 0.801 75 E CB 0.092 29.765 29.700 -0.045 0.000 0.750 75 E HN -0.520 7.749 8.360 -0.114 0.022 0.452 76 L N -4.353 116.837 121.223 -0.056 0.000 2.354 76 L HA 0.030 4.356 4.340 -0.025 0.000 0.212 76 L C 2.445 179.287 176.870 -0.047 0.000 1.091 76 L CA 1.017 55.840 54.840 -0.028 0.000 0.828 76 L CB 0.412 42.480 42.059 0.015 0.000 0.973 76 L HN -0.631 7.563 8.230 -0.060 0.000 0.461 77 L N 1.598 122.761 121.223 -0.100 0.000 2.017 77 L HA -0.366 3.885 4.340 -0.149 0.000 0.208 77 L C 0.985 177.749 176.870 -0.178 0.000 1.073 77 L CA 3.444 58.185 54.840 -0.164 0.000 0.745 77 L CB 0.083 42.009 42.059 -0.222 0.000 0.894 77 L HN 0.666 8.728 8.230 -0.111 0.102 0.432 78 R N -3.221 117.186 120.500 -0.155 0.000 2.357 78 R HA -0.196 4.052 4.340 -0.154 0.000 0.202 78 R C 0.946 177.186 176.300 -0.100 0.000 1.047 78 R CA 2.019 58.039 56.100 -0.133 0.000 1.034 78 R CB -0.754 29.477 30.300 -0.115 0.000 0.875 78 R HN -0.427 7.749 8.270 -0.156 0.000 0.473 79 R N -2.511 117.938 120.500 -0.085 0.000 2.265 79 R HA 0.133 4.441 4.340 -0.052 0.000 0.194 79 R C 0.219 176.487 176.300 -0.053 0.000 0.931 79 R CA -0.421 55.645 56.100 -0.056 0.000 1.032 79 R CB 0.677 30.956 30.300 -0.034 0.000 0.980 79 R HN -0.344 7.638 8.270 -0.091 0.234 0.497 80 G N -1.638 107.118 108.800 -0.075 0.000 2.976 80 G HA2 0.215 4.145 3.960 -0.050 0.000 0.276 80 G HA3 0.215 4.162 3.960 -0.022 0.000 0.276 80 G C -2.181 172.639 174.900 -0.133 0.000 1.207 80 G CA 0.018 45.080 45.100 -0.063 0.000 0.803 80 G HN -0.303 7.924 8.290 -0.105 0.000 0.572 81 I N 3.260 123.770 120.570 -0.099 0.000 2.417 81 I HA 0.317 4.289 4.170 -0.330 0.000 0.283 81 I C -2.288 173.696 176.117 -0.222 0.000 1.121 81 I CA -1.636 59.555 61.300 -0.183 0.000 1.211 81 I CB -0.215 37.764 38.000 -0.037 0.000 1.492 81 I HN 0.135 8.333 8.210 -0.020 0.000 0.522 82 V N 6.797 126.394 119.914 -0.528 0.000 3.049 82 V HA 0.966 5.171 4.120 -0.299 -0.265 0.309 82 V C -2.450 173.112 176.094 -0.886 0.000 1.148 82 V CA -2.848 59.139 62.300 -0.522 0.000 0.990 82 V CB 3.868 35.455 31.823 -0.394 0.000 1.039 82 V HN -0.691 7.102 8.190 -0.662 0.000 0.430 83 F N 1.322 121.163 119.950 -0.182 0.000 2.706 83 F HA 0.543 4.976 4.527 -0.158 0.000 0.328 83 F C -1.587 174.121 175.800 -0.152 0.000 1.123 83 F CA -2.220 55.686 58.000 -0.158 0.000 0.978 83 F CB 4.190 43.085 39.000 -0.175 0.000 1.404 83 F HN -0.148 8.069 8.300 -0.139 0.000 0.497 84 A N -2.714 120.169 122.820 0.104 0.000 2.577 84 A HA 0.979 5.568 4.320 0.077 -0.223 0.297 84 A C -2.616 174.969 177.584 0.002 0.000 1.060 84 A CA -0.284 51.773 52.037 0.032 0.000 0.697 84 A CB 3.462 22.440 19.000 -0.036 0.000 1.281 84 A HN 0.079 8.322 8.150 0.154 0.000 0.402 85 M N -2.075 117.534 119.600 0.015 0.000 2.421 85 M HA 1.085 5.749 4.480 -0.100 -0.244 0.287 85 M C -1.967 174.372 176.300 0.065 0.000 1.183 85 M CA -0.881 54.412 55.300 -0.011 0.000 0.916 85 M CB 4.444 37.033 32.600 -0.019 0.000 1.701 85 M HN 0.662 8.985 8.290 0.055 0.000 0.470 86 A N 1.703 124.618 122.820 0.159 0.000 2.392 86 A HA 0.367 4.854 4.320 0.140 -0.083 0.283 86 A C -1.502 176.231 177.584 0.248 0.000 1.197 86 A CA -1.214 50.961 52.037 0.230 0.000 0.895 86 A CB 2.901 22.084 19.000 0.306 0.000 1.400 86 A HN 0.344 8.586 8.150 0.154 0.000 0.461 87 R N -1.947 118.638 120.500 0.142 0.000 2.472 87 R HA 0.178 4.576 4.340 0.097 0.000 0.279 87 R C -0.631 175.646 176.300 -0.039 0.000 0.953 87 R CA -0.257 55.885 56.100 0.069 0.000 1.088 87 R CB 1.296 31.628 30.300 0.052 0.000 1.197 87 R HN 0.467 9.098 8.270 0.112 -0.293 0.536 88 V N -1.610 118.242 119.914 -0.103 0.000 4.139 88 V HA -0.322 3.675 4.120 -0.386 -0.109 0.423 88 V C -0.497 175.507 176.094 -0.150 0.000 0.673 88 V CA 1.126 63.250 62.300 -0.294 0.000 1.778 88 V CB -2.086 29.459 31.823 -0.464 0.000 2.178 88 V HN -0.077 8.058 8.190 0.029 0.072 0.486 89 K N 4.628 124.973 120.400 -0.093 0.000 2.360 89 K HA 0.247 4.530 4.320 -0.062 0.000 0.196 89 K C 0.160 176.723 176.600 -0.062 0.000 1.049 89 K CA 0.239 56.491 56.287 -0.059 0.000 1.049 89 K CB 1.037 33.522 32.500 -0.025 0.000 0.881 89 K HN 0.792 9.460 8.250 -0.069 -0.459 0.542 90 Q N -3.131 116.622 119.800 -0.078 0.000 1.291 90 Q HA -0.046 4.248 4.340 -0.075 0.000 0.122 90 Q C -0.131 175.837 176.000 -0.053 0.000 0.633 90 Q CA 1.269 57.035 55.803 -0.063 0.000 0.586 90 Q CB -0.273 28.445 28.738 -0.033 0.000 1.020 90 Q HN -0.103 8.054 8.270 -0.102 0.052 0.321 91 D N 1.356 121.738 120.400 -0.031 0.000 2.149 91 D HA -0.397 4.396 4.640 0.082 -0.104 0.194 91 D C 2.184 178.550 176.300 0.110 0.000 1.001 91 D CA 3.922 57.972 54.000 0.084 0.000 0.849 91 D CB -0.928 40.028 40.800 0.261 0.000 0.939 91 D HN 0.257 8.602 8.370 -0.042 0.000 0.449 92 L N -5.911 115.256 121.223 -0.093 0.000 2.012 92 L HA -0.381 4.178 4.340 0.365 0.000 0.210 92 L C 1.604 178.486 176.870 0.020 0.000 1.073 92 L CA 3.146 57.971 54.840 -0.026 0.000 0.748 92 L CB -0.740 41.131 42.059 -0.314 0.000 0.891 92 L HN -0.331 7.701 8.230 -0.308 0.013 0.431 93 R N -1.497 118.986 120.500 -0.029 0.000 2.057 93 R HA -0.265 4.068 4.340 -0.013 0.000 0.229 93 R C 2.512 178.812 176.300 -0.000 0.000 1.136 93 R CA 2.359 58.449 56.100 -0.017 0.000 0.952 93 R CB -0.785 29.496 30.300 -0.031 0.000 0.848 93 R HN -0.260 7.971 8.270 -0.066 0.000 0.430 94 E N -0.570 119.631 120.200 0.002 0.000 2.015 94 E HA -0.299 4.046 4.350 -0.008 0.000 0.191 94 E C 2.459 179.069 176.600 0.016 0.000 0.991 94 E CA 2.784 59.184 56.400 0.001 0.000 0.802 94 E CB -0.586 29.111 29.700 -0.005 0.000 0.759 94 E HN -0.097 8.261 8.360 -0.003 0.000 0.447 95 S N -0.003 115.721 115.700 0.039 0.000 2.382 95 S HA -0.199 4.299 4.470 0.047 0.000 0.228 95 S C 1.912 176.524 174.600 0.021 0.000 1.027 95 S CA 2.834 61.057 58.200 0.038 0.000 0.991 95 S CB -0.271 62.945 63.200 0.027 0.000 0.823 95 S HN 0.126 8.358 8.310 0.057 0.113 0.469 96 L N 1.083 122.318 121.223 0.020 0.000 2.156 96 L HA -0.048 4.290 4.340 -0.005 0.000 0.208 96 L C 2.093 178.974 176.870 0.019 0.000 1.095 96 L CA 2.515 57.363 54.840 0.013 0.000 0.770 96 L CB -1.277 40.798 42.059 0.025 0.000 0.914 96 L HN -0.519 7.726 8.230 0.043 0.010 0.439 97 R N -1.830 118.679 120.500 0.015 0.000 2.115 97 R HA -0.196 4.149 4.340 0.009 0.000 0.230 97 R C 2.144 178.452 176.300 0.014 0.000 1.111 97 R CA 1.711 57.816 56.100 0.010 0.000 0.976 97 R CB -0.878 29.422 30.300 0.001 0.000 0.870 97 R HN -0.465 7.727 8.270 0.014 0.086 0.445 98 A N -1.728 121.104 122.820 0.021 0.000 1.835 98 A HA 0.013 4.342 4.320 0.015 0.000 0.213 98 A C 0.522 178.132 177.584 0.044 0.000 1.210 98 A CA 1.749 53.802 52.037 0.027 0.000 0.605 98 A CB 0.628 19.645 19.000 0.029 0.000 0.860 98 A HN -0.466 7.598 8.150 0.022 0.100 0.447 99 A N -1.973 120.894 122.820 0.079 0.000 2.880 99 A HA 0.314 4.677 4.320 0.071 0.000 0.328 99 A C -0.327 177.311 177.584 0.090 0.000 1.440 99 A CA -0.867 51.235 52.037 0.109 0.000 1.068 99 A CB -0.797 18.340 19.000 0.228 0.000 1.163 99 A HN 0.129 8.331 8.150 0.086 0.000 0.510 100 S N 3.760 119.492 115.700 0.053 0.000 2.603 100 S HA -0.083 4.459 4.470 0.033 -0.052 0.220 100 S C 0.969 175.592 174.600 0.039 0.000 0.967 100 S CA 1.188 59.411 58.200 0.037 0.000 0.920 100 S CB 0.218 63.432 63.200 0.023 0.000 0.773 100 S HN 0.091 8.427 8.310 0.043 0.000 0.529 101 L N -2.895 118.358 121.223 0.050 0.000 2.650 101 L HA 0.185 4.541 4.340 0.027 0.000 0.235 101 L C 0.202 177.105 176.870 0.055 0.000 1.149 101 L CA 0.228 55.092 54.840 0.039 0.000 0.887 101 L CB -1.178 40.896 42.059 0.025 0.000 1.021 101 L HN -0.465 7.729 8.230 0.057 0.070 0.441 102 L N 1.360 122.631 121.223 0.080 0.000 2.187 102 L HA -0.333 4.089 4.340 0.136 0.000 0.213 102 L C 0.905 177.797 176.870 0.036 0.000 1.100 102 L CA 2.240 57.129 54.840 0.081 0.000 0.765 102 L CB -0.345 41.727 42.059 0.022 0.000 0.904 102 L HN -0.384 7.772 8.230 0.078 0.121 0.437 103 D N -1.823 118.592 120.400 0.025 0.000 2.158 103 D HA -0.331 4.317 4.640 0.012 0.000 0.197 103 D C 1.122 177.429 176.300 0.012 0.000 0.995 103 D CA 3.167 57.175 54.000 0.015 0.000 0.846 103 D CB 0.243 41.051 40.800 0.013 0.000 0.941 103 D HN -0.409 7.947 8.370 0.028 0.031 0.456 104 K N -4.595 115.813 120.400 0.013 0.000 2.313 104 K HA -0.073 4.249 4.320 0.003 0.000 0.197 104 K C 2.106 178.708 176.600 0.003 0.000 1.061 104 K CA 0.829 57.119 56.287 0.005 0.000 0.980 104 K CB 0.750 33.251 32.500 0.002 0.000 0.888 104 K HN -0.315 7.807 8.250 0.019 0.140 0.502 105 I N -5.448 115.129 120.570 0.011 0.000 2.761 105 I HA -0.181 3.984 4.170 -0.009 0.000 0.261 105 I C 0.916 177.044 176.117 0.017 0.000 1.198 105 I CA 0.958 62.262 61.300 0.006 0.000 1.482 105 I CB 0.122 38.123 38.000 0.002 0.000 1.100 105 I HN -0.411 7.812 8.210 0.022 0.000 0.445 106 G N 0.998 109.811 108.800 0.022 0.000 2.677 106 G HA2 -0.500 3.509 3.960 0.006 0.000 0.321 106 G HA3 -0.500 3.461 3.960 0.002 0.000 0.321 106 G C 0.093 175.002 174.900 0.015 0.000 1.181 106 G CA 1.227 46.334 45.100 0.011 0.000 0.965 106 G HN -0.091 8.091 8.290 0.026 0.123 0.548 107 E N 3.815 124.021 120.200 0.010 0.000 2.296 107 E HA 0.093 4.429 4.350 -0.023 0.000 0.196 107 E C -0.483 176.172 176.600 0.092 0.000 1.143 107 E CA -0.472 55.933 56.400 0.008 0.000 1.145 107 E CB -0.749 28.929 29.700 -0.037 0.000 1.215 107 E HN 0.044 8.406 8.360 0.003 0.000 0.447 108 D N 0.046 120.506 120.400 0.100 0.000 2.075 108 D HA -0.216 4.475 4.640 0.085 0.000 0.196 108 D C -0.814 175.569 176.300 0.138 0.000 0.985 108 D CA 2.747 56.803 54.000 0.092 0.000 0.834 108 D CB 0.726 41.529 40.800 0.005 0.000 0.987 108 D HN -0.105 8.189 8.370 0.083 0.126 0.452 109 H N -5.822 113.188 119.070 -0.100 0.000 3.177 109 H HA 0.538 5.175 4.556 -0.135 -0.162 0.314 109 H C -0.894 174.223 175.328 -0.351 0.000 1.059 109 H CA -1.936 54.008 56.048 -0.172 0.000 1.515 109 H CB 1.489 31.163 29.762 -0.147 0.000 1.672 109 H HN -0.743 7.782 8.280 0.407 0.000 0.514 110 I N -1.786 118.549 120.570 -0.392 0.000 3.814 110 I HA 0.506 3.971 4.170 -1.175 0.000 0.268 110 I C -2.479 173.118 176.117 -0.866 0.000 1.133 110 I CA -2.881 57.967 61.300 -0.752 0.000 1.236 110 I CB 3.293 41.086 38.000 -0.345 0.000 1.379 110 I HN 0.031 8.107 8.210 -0.222 0.000 0.463 111 F N -1.749 118.175 119.950 -0.044 0.000 2.529 111 F HA 0.438 5.155 4.527 -0.028 -0.207 0.320 111 F C -0.182 175.597 175.800 -0.035 0.000 1.118 111 F CA -1.677 56.301 58.000 -0.036 0.000 0.915 111 F CB 2.042 41.020 39.000 -0.037 0.000 1.161 111 F HN -0.170 7.988 8.300 -0.237 0.000 0.445 112 M N 4.974 124.652 119.600 0.131 0.000 3.797 112 M HA -0.485 4.025 4.480 0.050 0.000 0.160 112 M C -1.736 174.567 176.300 0.005 0.000 1.488 112 M CA 0.853 56.191 55.300 0.063 0.000 1.019 112 M CB -1.755 30.889 32.600 0.073 0.000 1.326 112 M HN 0.579 8.958 8.290 0.148 0.000 0.403 113 T N 3.949 118.471 114.554 -0.053 0.000 3.607 113 T HA 0.014 4.315 4.350 -0.082 0.000 0.295 113 T C 0.567 175.151 174.700 -0.194 0.000 0.884 113 T CA 1.208 63.244 62.100 -0.106 0.000 1.041 113 T CB 1.021 69.823 68.868 -0.111 0.000 1.172 113 T HN -0.015 8.189 8.240 -0.059 0.000 0.536 114 L N 2.709 123.764 121.223 -0.280 0.000 1.997 114 L HA -0.159 3.815 4.340 -0.609 0.000 0.216 114 L C -1.047 175.543 176.870 -0.467 0.000 1.074 114 L CA 5.399 59.902 54.840 -0.561 0.000 0.763 114 L CB -2.957 38.548 42.059 -0.923 0.000 0.890 114 L HN -0.201 7.901 8.230 -0.214 0.000 0.434 115 P HA -0.236 4.205 4.420 0.035 0.000 0.216 115 P C 2.061 179.304 177.300 -0.095 0.000 1.157 115 P CA 3.462 66.527 63.100 -0.059 0.000 0.880 115 P CB -0.373 31.340 31.700 0.021 0.000 0.791 116 T N -3.363 111.114 114.554 -0.128 0.000 3.035 116 T HA -0.087 4.195 4.350 -0.113 0.000 0.259 116 T C 1.150 175.710 174.700 -0.234 0.000 1.078 116 T CA 1.518 63.531 62.100 -0.145 0.000 1.132 116 T CB -0.207 68.586 68.868 -0.125 0.000 0.900 116 T HN -0.642 7.521 8.240 -0.128 0.000 0.480 117 A N 1.997 124.656 122.820 -0.268 0.000 1.858 117 A HA -0.241 3.800 4.320 -0.465 0.000 0.216 117 A C 1.598 179.026 177.584 -0.259 0.000 1.190 117 A CA 3.351 55.198 52.037 -0.316 0.000 0.617 117 A CB -0.856 17.988 19.000 -0.261 0.000 0.827 117 A HN -0.132 7.776 8.150 -0.252 0.091 0.443 118 V N -3.343 116.441 119.914 -0.215 0.000 2.490 118 V HA -0.534 3.598 4.120 0.019 0.000 0.250 118 V C 1.601 177.667 176.094 -0.046 0.000 1.061 118 V CA 3.571 65.827 62.300 -0.074 0.000 1.064 118 V CB -0.955 30.843 31.823 -0.042 0.000 0.670 118 V HN 0.071 8.076 8.190 -0.309 0.000 0.461 119 Q N 0.231 119.973 119.800 -0.097 0.000 2.061 119 Q HA -0.385 3.938 4.340 -0.027 0.000 0.204 119 Q C 2.137 178.065 176.000 -0.120 0.000 0.984 119 Q CA 3.157 58.912 55.803 -0.079 0.000 0.846 119 Q CB -0.149 28.538 28.738 -0.086 0.000 0.902 119 Q HN -0.518 7.578 8.270 -0.129 0.097 0.421 120 A N -0.748 121.918 122.820 -0.256 0.000 1.874 120 A HA -0.109 4.084 4.320 -0.211 0.000 0.214 120 A C 2.024 179.459 177.584 -0.248 0.000 1.189 120 A CA 2.756 54.591 52.037 -0.337 0.000 0.615 120 A CB -0.228 18.414 19.000 -0.595 0.000 0.830 120 A HN -0.459 7.498 8.150 -0.322 0.000 0.443 121 F N -3.036 116.876 119.950 -0.065 0.000 2.748 121 F HA -0.059 4.447 4.527 -0.033 0.000 0.299 121 F C 1.414 177.211 175.800 -0.004 0.000 1.154 121 F CA 1.380 59.354 58.000 -0.044 0.000 1.446 121 F CB -0.137 38.816 39.000 -0.080 0.000 1.112 121 F HN 0.283 8.373 8.300 -0.351 0.000 0.584 122 R N -3.099 117.482 120.500 0.135 0.000 2.432 122 R HA 0.164 4.582 4.340 0.130 0.000 0.260 122 R C -0.036 176.306 176.300 0.069 0.000 0.935 122 R CA -0.258 55.908 56.100 0.110 0.000 1.080 122 R CB 0.292 30.655 30.300 0.105 0.000 1.155 122 R HN -0.284 7.971 8.270 0.066 0.055 0.531 123 R N -1.653 118.875 120.500 0.047 0.000 2.716 123 R HA 0.077 4.437 4.340 0.034 0.000 0.186 123 R C -0.580 175.733 176.300 0.023 0.000 0.830 123 R CA 0.268 56.384 56.100 0.026 0.000 1.059 123 R CB 2.516 32.819 30.300 0.006 0.000 1.531 123 R HN -0.485 7.644 8.270 0.045 0.168 0.633 124 R N 0.000 120.508 120.500 0.013 0.000 2.786 124 R HA 0.000 4.383 4.340 -0.004 -0.045 0.208 124 R CA 0.000 56.109 56.100 0.015 0.000 0.921 124 R CB 0.000 30.331 30.300 0.052 0.000 0.687 124 R HN 0.000 8.159 8.270 -0.005 0.108 0.535