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 2xde_1_B DATA FIRST_RESID 1 DATA SEQUENCE PIVQNLQGQM VHQAISPRTL NAWVKVVEEK AFSPEVIPMF SALSEGATPQ DATA SEQUENCE DLNTMLNTVG GHQAAMQMLK ETINEEAAEW DRLHPXXXXX XXXXXVGEPR DATA SEQUENCE GSDIAGTTST LQEQIGWMTH NPPIPVGEIY KRWIILGLNK IVRMYS 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 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 1 P C 0.000 177.253 177.300 -0.079 0.000 1.155 1 P CA 0.000 63.053 63.100 -0.079 0.000 0.800 1 P CB 0.000 31.636 31.700 -0.106 0.000 0.726 2 I N 1.730 122.301 120.570 0.002 0.000 2.529 2 I HA 0.434 4.600 4.170 -0.006 0.000 0.284 2 I C 0.027 176.124 176.117 -0.032 0.000 1.082 2 I CA -0.334 60.970 61.300 0.006 0.000 1.406 2 I CB 0.663 38.678 38.000 0.026 0.000 1.405 2 I HN 0.309 8.519 8.210 -0.000 0.000 0.548 3 V N 3.893 123.786 119.914 -0.036 0.000 3.130 3 V HA 0.497 4.613 4.120 -0.006 0.000 0.310 3 V C -0.793 175.286 176.094 -0.024 0.000 1.158 3 V CA -0.929 61.348 62.300 -0.039 0.000 1.029 3 V CB 1.634 33.423 31.823 -0.056 0.000 1.057 3 V HN 0.809 8.999 8.190 -0.000 0.000 0.436 4 Q N 2.440 122.227 119.800 -0.022 0.000 2.303 4 Q HA 0.373 4.709 4.340 -0.006 0.000 0.257 4 Q C -0.285 175.704 176.000 -0.019 0.000 0.941 4 Q CA -0.581 55.212 55.803 -0.017 0.000 0.931 4 Q CB 1.239 29.969 28.738 -0.014 0.000 1.215 4 Q HN 1.013 9.283 8.270 -0.000 0.000 0.437 5 N N 2.778 121.468 118.700 -0.017 0.000 2.366 5 N HA -0.021 4.716 4.740 -0.006 0.000 0.277 5 N C 0.474 175.975 175.510 -0.014 0.000 1.275 5 N CA -0.492 52.547 53.050 -0.017 0.000 0.964 5 N CB 0.223 38.701 38.487 -0.016 0.000 1.167 5 N HN 0.561 8.941 8.380 -0.000 0.000 0.568 6 L N -0.754 120.461 121.223 -0.014 0.000 2.201 6 L HA 0.012 4.349 4.340 -0.006 0.000 0.212 6 L C 1.906 178.770 176.870 -0.010 0.000 1.105 6 L CA 1.591 56.424 54.840 -0.012 0.000 0.775 6 L CB -0.954 41.098 42.059 -0.011 0.000 0.913 6 L HN 0.559 8.789 8.230 -0.000 0.000 0.440 7 Q N -0.889 118.906 119.800 -0.010 0.000 2.444 7 Q HA 0.118 4.455 4.340 -0.006 0.000 0.206 7 Q C 1.291 177.286 176.000 -0.008 0.000 0.948 7 Q CA 0.643 56.441 55.803 -0.008 0.000 0.946 7 Q CB 0.109 28.842 28.738 -0.008 0.000 1.027 7 Q HN 0.614 8.884 8.270 -0.000 0.000 0.513 8 G N 1.366 110.160 108.800 -0.009 0.000 2.143 8 G HA2 -0.284 3.672 3.960 -0.006 0.000 0.249 8 G HA3 -0.284 3.672 3.960 -0.006 0.000 0.249 8 G C -0.110 174.785 174.900 -0.008 0.000 0.981 8 G CA -0.031 45.064 45.100 -0.009 0.000 0.665 8 G HN 0.351 8.641 8.290 -0.000 0.000 0.528 9 Q N -0.106 119.689 119.800 -0.008 0.000 2.299 9 Q HA 0.638 4.975 4.340 -0.006 0.000 0.246 9 Q C 0.488 176.484 176.000 -0.006 0.000 0.935 9 Q CA -0.341 55.458 55.803 -0.007 0.000 0.887 9 Q CB 0.771 29.505 28.738 -0.007 0.000 1.223 9 Q HN 0.220 8.490 8.270 -0.000 0.000 0.439 10 M N 3.144 122.742 119.600 -0.004 0.000 2.084 10 M HA 0.311 4.787 4.480 -0.006 0.000 0.351 10 M C -0.453 175.850 176.300 0.005 0.000 1.240 10 M CA -0.344 54.956 55.300 -0.000 0.000 1.083 10 M CB -0.063 32.539 32.600 0.003 0.000 1.593 10 M HN 0.543 8.833 8.290 -0.000 0.000 0.463 11 V N 0.189 120.108 119.914 0.008 0.000 3.160 11 V HA 0.581 4.698 4.120 -0.006 0.000 0.310 11 V C -0.581 175.544 176.094 0.051 0.000 1.181 11 V CA -0.976 61.339 62.300 0.025 0.000 1.047 11 V CB 2.403 34.233 31.823 0.012 0.000 1.068 11 V HN 0.856 9.046 8.190 -0.000 0.000 0.441 12 H N 1.923 120.977 119.070 -0.027 0.000 2.527 12 H HA 0.447 4.999 4.556 -0.007 0.000 0.321 12 H C -0.801 174.513 175.328 -0.023 0.000 1.087 12 H CA -0.115 55.917 56.048 -0.026 0.000 1.337 12 H CB 1.663 31.408 29.762 -0.028 0.000 1.440 12 H HN 0.921 9.201 8.280 -0.000 0.000 0.490 13 Q N 3.929 123.391 119.800 -0.562 0.000 2.293 13 Q HA 0.495 4.831 4.340 -0.006 0.000 0.261 13 Q C -1.045 174.532 176.000 -0.706 0.000 0.960 13 Q CA -1.038 54.501 55.803 -0.440 0.000 0.882 13 Q CB 1.319 29.911 28.738 -0.243 0.000 1.275 13 Q HN 0.778 9.048 8.270 -0.000 0.000 0.445 14 A N 4.543 127.156 122.820 -0.345 0.000 2.540 14 A HA 0.082 4.398 4.320 -0.006 0.000 0.239 14 A C 0.130 177.639 177.584 -0.125 0.000 1.061 14 A CA -0.181 51.769 52.037 -0.144 0.000 0.758 14 A CB -0.031 18.962 19.000 -0.012 0.000 0.991 14 A HN 0.928 9.078 8.150 -0.000 0.000 0.502 15 I N 2.168 122.718 120.570 -0.033 0.000 2.752 15 I HA 0.090 4.257 4.170 -0.006 0.000 0.287 15 I C 0.931 177.041 176.117 -0.010 0.000 1.188 15 I CA 0.391 61.679 61.300 -0.020 0.000 1.427 15 I CB 0.758 38.773 38.000 0.025 0.000 1.365 15 I HN 0.669 8.879 8.210 -0.000 0.000 0.585 16 S N 7.584 123.274 115.700 -0.017 0.000 2.537 16 S HA 0.379 4.846 4.470 -0.006 0.000 0.275 16 S C -1.543 173.066 174.600 0.015 0.000 1.272 16 S CA -1.348 56.849 58.200 -0.006 0.000 1.050 16 S CB 1.378 64.569 63.200 -0.015 0.000 0.961 16 S HN 0.492 8.802 8.310 -0.000 0.000 0.496 17 P HA -0.079 4.341 4.420 -0.000 0.000 0.217 17 P C 1.274 178.595 177.300 0.034 0.000 1.148 17 P CA 1.109 64.228 63.100 0.031 0.000 0.828 17 P CB 0.109 31.824 31.700 0.025 0.000 0.783 18 R N -1.066 119.447 120.500 0.022 0.000 2.091 18 R HA -0.092 4.245 4.340 -0.006 0.000 0.238 18 R C 2.158 178.479 176.300 0.036 0.000 1.136 18 R CA 1.942 58.056 56.100 0.023 0.000 0.959 18 R CB -1.243 29.064 30.300 0.011 0.000 0.856 18 R HN 0.209 8.479 8.270 -0.000 0.000 0.437 19 T N 1.574 116.146 114.554 0.030 0.000 2.746 19 T HA -0.090 4.257 4.350 -0.006 0.000 0.267 19 T C 1.865 176.624 174.700 0.099 0.000 1.039 19 T CA 1.055 63.179 62.100 0.039 0.000 1.142 19 T CB -0.126 68.741 68.868 -0.002 0.000 0.866 19 T HN 0.135 8.375 8.240 -0.000 0.000 0.444 20 L N 1.051 122.334 121.223 0.100 0.000 2.017 20 L HA -0.115 4.221 4.340 -0.006 0.000 0.208 20 L C 2.618 179.585 176.870 0.161 0.000 1.073 20 L CA 1.042 55.978 54.840 0.159 0.000 0.745 20 L CB -0.662 41.468 42.059 0.120 0.000 0.894 20 L HN 0.193 8.423 8.230 -0.000 0.000 0.432 21 N N 0.393 119.150 118.700 0.096 0.000 2.120 21 N HA -0.142 4.594 4.740 -0.006 0.000 0.188 21 N C 1.891 177.440 175.510 0.065 0.000 1.024 21 N CA 1.546 54.634 53.050 0.063 0.000 0.852 21 N CB -0.304 38.205 38.487 0.037 0.000 1.003 21 N HN 0.314 8.694 8.380 -0.000 0.000 0.424 22 A N 0.896 123.770 122.820 0.089 0.000 1.933 22 A HA -0.163 4.153 4.320 -0.006 0.000 0.218 22 A C 2.098 179.777 177.584 0.160 0.000 1.175 22 A CA 1.088 53.181 52.037 0.094 0.000 0.628 22 A CB -1.051 18.001 19.000 0.087 0.000 0.814 22 A HN 0.633 8.783 8.150 -0.000 0.000 0.444 23 W N 0.536 121.836 121.300 0.001 0.000 2.379 23 W HA -0.143 4.521 4.660 0.007 0.000 0.307 23 W C 1.615 178.133 176.519 -0.002 0.000 1.200 23 W CA 1.770 59.125 57.345 0.017 0.000 1.297 23 W CB -0.092 29.397 29.460 0.049 0.000 1.140 23 W HN 0.175 8.355 8.180 -0.000 0.000 0.507 24 V N 1.721 121.523 119.914 -0.186 0.000 2.427 24 V HA -0.320 3.797 4.120 -0.006 0.000 0.248 24 V C 2.492 178.420 176.094 -0.277 0.000 1.051 24 V CA 2.369 64.465 62.300 -0.340 0.000 1.048 24 V CB -1.046 30.702 31.823 -0.125 0.000 0.666 24 V HN 0.164 8.354 8.190 -0.000 0.000 0.456 25 K N -0.053 120.261 120.400 -0.143 0.000 2.032 25 K HA -0.194 4.122 4.320 -0.006 0.000 0.209 25 K C 2.208 178.714 176.600 -0.157 0.000 1.048 25 K CA 1.866 58.087 56.287 -0.110 0.000 0.927 25 K CB -0.361 32.112 32.500 -0.045 0.000 0.712 25 K HN 0.285 8.535 8.250 -0.000 0.000 0.441 26 V N 0.642 120.456 119.914 -0.166 0.000 2.343 26 V HA -0.197 3.920 4.120 -0.006 0.000 0.247 26 V C 2.156 178.033 176.094 -0.362 0.000 1.051 26 V CA 1.652 63.843 62.300 -0.182 0.000 1.036 26 V CB 0.044 31.837 31.823 -0.050 0.000 0.654 26 V HN 0.252 8.442 8.190 -0.000 0.000 0.451 27 V N -0.017 119.515 119.914 -0.638 0.000 2.343 27 V HA -0.181 3.936 4.120 -0.006 0.000 0.247 27 V C 2.639 178.368 176.094 -0.608 0.000 1.051 27 V CA 2.170 63.937 62.300 -0.889 0.000 1.036 27 V CB -0.643 30.469 31.823 -1.185 0.000 0.654 27 V HN 0.566 8.756 8.190 -0.000 0.000 0.451 28 E N -0.076 119.903 120.200 -0.368 0.000 2.046 28 E HA -0.166 4.181 4.350 -0.006 0.000 0.190 28 E C 2.234 178.751 176.600 -0.139 0.000 0.982 28 E CA 1.033 57.324 56.400 -0.181 0.000 0.800 28 E CB -0.180 29.458 29.700 -0.103 0.000 0.756 28 E HN 0.681 9.041 8.360 -0.000 0.000 0.449 29 E N 0.397 120.514 120.200 -0.139 0.000 2.106 29 E HA -0.143 4.204 4.350 -0.006 0.000 0.192 29 E C 1.662 178.208 176.600 -0.090 0.000 0.984 29 E CA 0.917 57.262 56.400 -0.092 0.000 0.806 29 E CB 0.143 29.799 29.700 -0.074 0.000 0.750 29 E HN -0.092 8.268 8.360 -0.000 0.000 0.458 30 K N -0.511 119.809 120.400 -0.134 0.000 2.352 30 K HA 0.243 4.560 4.320 -0.006 0.000 0.194 30 K C 0.216 176.761 176.600 -0.091 0.000 1.038 30 K CA 0.569 56.797 56.287 -0.099 0.000 1.023 30 K CB 0.620 33.062 32.500 -0.097 0.000 0.840 30 K HN 0.118 8.367 8.250 -0.000 0.000 0.519 31 A N 0.846 123.570 122.820 -0.162 0.000 2.610 31 A HA -0.206 4.111 4.320 -0.006 0.000 0.299 31 A C -0.229 177.406 177.584 0.085 0.000 1.487 31 A CA 0.691 52.681 52.037 -0.079 0.000 0.743 31 A CB -2.555 16.453 19.000 0.013 0.000 1.070 31 A HN 0.368 8.518 8.150 -0.000 0.000 0.439 32 F N -1.872 118.056 119.950 -0.037 0.000 3.091 32 F HA -0.255 4.270 4.527 -0.002 0.000 0.288 32 F C 1.230 177.054 175.800 0.041 0.000 0.907 32 F CA 1.372 59.376 58.000 0.007 0.000 1.028 32 F CB -2.374 36.675 39.000 0.082 0.000 1.022 32 F HN 1.344 9.644 8.300 -0.000 0.000 0.665 33 S N -0.745 115.029 115.700 0.124 0.000 2.600 33 S HA 0.392 4.859 4.470 -0.006 0.000 0.265 33 S C -1.100 173.557 174.600 0.095 0.000 1.325 33 S CA -0.824 57.435 58.200 0.099 0.000 1.002 33 S CB 1.353 64.584 63.200 0.052 0.000 0.921 33 S HN -0.043 8.267 8.310 -0.000 0.000 0.554 34 P HA -0.095 4.325 4.420 -0.000 0.000 0.220 34 P C 0.932 178.280 177.300 0.079 0.000 1.144 34 P CA 1.194 64.340 63.100 0.076 0.000 0.800 34 P CB -0.067 31.668 31.700 0.058 0.000 0.772 35 E N -0.541 119.698 120.200 0.065 0.000 2.265 35 E HA -0.120 4.227 4.350 -0.006 0.000 0.196 35 E C 1.838 178.493 176.600 0.091 0.000 0.996 35 E CA 1.106 57.544 56.400 0.063 0.000 0.832 35 E CB -0.430 29.293 29.700 0.038 0.000 0.756 35 E HN 0.244 8.604 8.360 -0.000 0.000 0.491 36 V N -0.830 119.144 119.914 0.100 0.000 2.594 36 V HA -0.220 3.896 4.120 -0.006 0.000 0.253 36 V C 1.992 178.266 176.094 0.300 0.000 1.069 36 V CA 1.037 63.443 62.300 0.177 0.000 1.082 36 V CB -0.466 31.417 31.823 0.100 0.000 0.680 36 V HN 0.118 8.308 8.190 -0.000 0.000 0.469 37 I N 1.354 122.049 120.570 0.209 0.000 2.090 37 I HA -0.047 4.119 4.170 -0.006 0.000 0.236 37 I C 0.551 176.786 176.117 0.198 0.000 1.064 37 I CA 1.765 63.183 61.300 0.197 0.000 1.324 37 I CB -2.855 35.219 38.000 0.124 0.000 1.044 37 I HN 0.347 8.557 8.210 -0.000 0.000 0.399 38 P HA -0.172 4.248 4.420 -0.000 0.000 0.218 38 P C 1.916 179.279 177.300 0.105 0.000 1.149 38 P CA 1.418 64.579 63.100 0.102 0.000 0.817 38 P CB -0.122 31.620 31.700 0.070 0.000 0.785 39 M N -0.787 118.904 119.600 0.152 0.000 2.132 39 M HA -0.084 4.393 4.480 -0.006 0.000 0.263 39 M C 1.997 178.396 176.300 0.166 0.000 1.065 39 M CA 1.553 56.950 55.300 0.161 0.000 1.122 39 M CB -1.481 31.243 32.600 0.207 0.000 1.365 39 M HN -0.208 8.082 8.290 -0.000 0.000 0.411 40 F N -0.056 119.948 119.950 0.089 0.000 2.095 40 F HA -0.220 4.301 4.527 -0.010 0.000 0.298 40 F C 2.203 177.888 175.800 -0.192 0.000 1.104 40 F CA 2.144 60.025 58.000 -0.198 0.000 1.232 40 F CB -0.872 37.948 39.000 -0.300 0.000 0.987 40 F HN 0.163 8.463 8.300 -0.000 0.000 0.475 41 S N 0.283 115.917 115.700 -0.110 0.000 2.368 41 S HA -0.172 4.294 4.470 -0.006 0.000 0.225 41 S C 2.295 176.769 174.600 -0.210 0.000 1.030 41 S CA 1.099 59.185 58.200 -0.190 0.000 0.999 41 S CB -0.858 62.334 63.200 -0.013 0.000 0.844 41 S HN 0.565 8.875 8.310 -0.000 0.000 0.459 42 A N 1.130 123.879 122.820 -0.119 0.000 1.902 42 A HA 0.034 4.350 4.320 -0.006 0.000 0.217 42 A C 1.958 179.456 177.584 -0.142 0.000 1.181 42 A CA 1.099 53.079 52.037 -0.095 0.000 0.623 42 A CB -0.594 18.385 19.000 -0.035 0.000 0.818 42 A HN 0.483 8.633 8.150 -0.000 0.000 0.443 43 L N 0.376 121.484 121.223 -0.190 0.000 2.552 43 L HA -0.020 4.317 4.340 -0.006 0.000 0.227 43 L C 1.659 178.340 176.870 -0.315 0.000 1.146 43 L CA 1.016 55.735 54.840 -0.202 0.000 0.858 43 L CB -0.030 41.943 42.059 -0.144 0.000 0.969 43 L HN 0.525 8.755 8.230 -0.000 0.000 0.451 44 S N -2.648 112.785 115.700 -0.445 0.000 2.664 44 S HA 0.179 4.646 4.470 -0.006 0.000 0.245 44 S C 0.322 174.743 174.600 -0.298 0.000 1.019 44 S CA -0.660 57.258 58.200 -0.471 0.000 0.996 44 S CB -0.123 62.565 63.200 -0.853 0.000 0.878 44 S HN 0.209 8.519 8.310 -0.000 0.000 0.493 45 E N 1.491 121.564 120.200 -0.212 0.000 2.480 45 E HA 0.281 4.628 4.350 -0.006 0.000 0.258 45 E C 1.110 177.640 176.600 -0.116 0.000 0.984 45 E CA 0.796 57.112 56.400 -0.140 0.000 0.930 45 E CB 0.233 29.871 29.700 -0.104 0.000 0.936 45 E HN 0.675 9.035 8.360 -0.000 0.000 0.466 46 G N 2.564 111.309 108.800 -0.092 0.000 2.168 46 G HA2 -0.355 3.602 3.960 -0.006 0.000 0.263 46 G HA3 -0.355 3.602 3.960 -0.006 0.000 0.263 46 G C 0.431 175.298 174.900 -0.055 0.000 0.977 46 G CA 0.177 45.239 45.100 -0.063 0.000 0.659 46 G HN 0.790 9.080 8.290 -0.000 0.000 0.533 47 A N 0.476 123.242 122.820 -0.089 0.000 2.498 47 A HA 0.627 4.944 4.320 -0.006 0.000 0.239 47 A C 1.090 178.668 177.584 -0.010 0.000 1.068 47 A CA 1.226 53.225 52.037 -0.064 0.000 0.766 47 A CB 0.164 19.082 19.000 -0.137 0.000 1.003 47 A HN 1.767 9.917 8.150 -0.000 0.000 0.497 48 T N 0.305 114.887 114.554 0.047 0.000 2.874 48 T HA 0.459 4.805 4.350 -0.006 0.000 0.281 48 T C -2.016 172.727 174.700 0.071 0.000 0.994 48 T CA -1.528 60.602 62.100 0.050 0.000 1.015 48 T CB 0.902 69.795 68.868 0.042 0.000 1.028 48 T HN 0.303 8.543 8.240 -0.000 0.000 0.523 49 P HA -0.148 4.272 4.420 -0.000 0.000 0.216 49 P C 1.746 179.138 177.300 0.154 0.000 1.150 49 P CA 1.073 64.292 63.100 0.199 0.000 0.843 49 P CB 0.046 31.755 31.700 0.014 0.000 0.787 50 Q N -0.197 119.636 119.800 0.056 0.000 2.061 50 Q HA -0.218 4.118 4.340 -0.006 0.000 0.204 50 Q C 1.553 177.593 176.000 0.067 0.000 0.984 50 Q CA 1.787 57.611 55.803 0.035 0.000 0.846 50 Q CB -0.475 28.232 28.738 -0.051 0.000 0.902 50 Q HN 0.194 8.464 8.270 -0.000 0.000 0.421 51 D N 0.471 120.916 120.400 0.075 0.000 2.123 51 D HA -0.181 4.456 4.640 -0.006 0.000 0.196 51 D C 2.053 178.378 176.300 0.041 0.000 0.992 51 D CA 1.117 55.162 54.000 0.075 0.000 0.833 51 D CB -0.251 40.593 40.800 0.073 0.000 0.954 51 D HN 0.324 8.694 8.370 -0.000 0.000 0.455 52 L N 0.825 122.076 121.223 0.048 0.000 2.093 52 L HA -0.143 4.194 4.340 -0.006 0.000 0.208 52 L C 2.141 179.057 176.870 0.078 0.000 1.085 52 L CA 0.785 55.632 54.840 0.011 0.000 0.755 52 L CB -0.370 41.664 42.059 -0.042 0.000 0.904 52 L HN -0.032 8.198 8.230 -0.000 0.000 0.435 53 N N -0.630 118.171 118.700 0.168 0.000 2.188 53 N HA -0.133 4.603 4.740 -0.006 0.000 0.184 53 N C 1.854 177.444 175.510 0.132 0.000 1.018 53 N CA 1.726 54.881 53.050 0.176 0.000 0.858 53 N CB -0.435 38.162 38.487 0.184 0.000 0.989 53 N HN 0.252 8.632 8.380 -0.000 0.000 0.426 54 T N 1.796 116.415 114.554 0.107 0.000 2.746 54 T HA -0.041 4.306 4.350 -0.006 0.000 0.267 54 T C 2.083 176.859 174.700 0.127 0.000 1.039 54 T CA 0.987 63.149 62.100 0.103 0.000 1.142 54 T CB -0.077 68.841 68.868 0.084 0.000 0.866 54 T HN 0.211 8.451 8.240 -0.000 0.000 0.444 55 M N 0.445 120.108 119.600 0.105 0.000 2.067 55 M HA -0.026 4.451 4.480 -0.006 0.000 0.260 55 M C 2.277 178.758 176.300 0.302 0.000 1.069 55 M CA 1.696 57.080 55.300 0.140 0.000 1.117 55 M CB -0.647 31.895 32.600 -0.096 0.000 1.334 55 M HN 0.192 8.482 8.290 -0.000 0.000 0.407 56 L N -0.063 121.300 121.223 0.233 0.000 2.093 56 L HA -0.200 4.136 4.340 -0.006 0.000 0.208 56 L C 2.035 179.076 176.870 0.284 0.000 1.085 56 L CA 0.794 55.829 54.840 0.324 0.000 0.755 56 L CB -0.861 41.316 42.059 0.197 0.000 0.904 56 L HN 0.367 8.597 8.230 -0.000 0.000 0.435 57 N N -0.301 118.524 118.700 0.208 0.000 2.453 57 N HA -0.122 4.615 4.740 -0.006 0.000 0.183 57 N C 1.819 177.426 175.510 0.162 0.000 1.041 57 N CA 1.674 54.823 53.050 0.166 0.000 0.900 57 N CB -0.196 38.368 38.487 0.128 0.000 0.961 57 N HN 0.465 8.845 8.380 -0.000 0.000 0.443 58 T N -2.614 112.058 114.554 0.197 0.000 3.088 58 T HA 0.082 4.428 4.350 -0.006 0.000 0.259 58 T C 0.855 175.636 174.700 0.136 0.000 1.122 58 T CA -0.020 62.176 62.100 0.160 0.000 1.095 58 T CB -0.190 68.783 68.868 0.176 0.000 0.930 58 T HN -0.216 8.024 8.240 -0.000 0.000 0.508 59 V N 2.483 122.499 119.914 0.170 0.000 2.397 59 V HA 0.565 4.681 4.120 -0.006 0.000 0.262 59 V C 1.094 177.281 176.094 0.156 0.000 1.047 59 V CA -0.571 61.808 62.300 0.132 0.000 1.003 59 V CB 0.092 32.013 31.823 0.164 0.000 1.037 59 V HN 0.570 8.760 8.190 -0.000 0.000 0.480 60 G N 3.141 112.009 108.800 0.113 0.000 2.412 60 G HA2 0.657 4.614 3.960 -0.006 0.000 0.318 60 G HA3 0.657 4.614 3.960 -0.006 0.000 0.318 60 G C 0.343 175.255 174.900 0.019 0.000 1.146 60 G CA 0.266 45.408 45.100 0.069 0.000 0.882 60 G HN 1.335 9.625 8.290 -0.000 0.000 0.501 61 G N 0.725 109.503 108.800 -0.036 0.000 2.598 61 G HA2 -0.107 3.850 3.960 -0.006 0.000 0.244 61 G HA3 -0.107 3.850 3.960 -0.006 0.000 0.244 61 G C 0.394 175.254 174.900 -0.066 0.000 1.302 61 G CA 0.171 45.169 45.100 -0.170 0.000 0.903 61 G HN 1.883 10.173 8.290 -0.000 0.000 0.575 62 H N -0.849 118.286 119.070 0.109 0.000 2.636 62 H HA -0.239 4.312 4.556 -0.009 0.000 0.312 62 H C 1.875 177.270 175.328 0.112 0.000 1.106 62 H CA 1.827 57.971 56.048 0.161 0.000 1.139 62 H CB -1.434 28.517 29.762 0.316 0.000 1.423 62 H HN 0.922 9.202 8.280 -0.000 0.000 0.407 63 Q N 0.606 120.476 119.800 0.118 0.000 2.096 63 Q HA -0.121 4.215 4.340 -0.006 0.000 0.204 63 Q C 2.384 178.434 176.000 0.083 0.000 0.982 63 Q CA 2.176 58.032 55.803 0.088 0.000 0.850 63 Q CB -0.065 28.702 28.738 0.048 0.000 0.901 63 Q HN 0.562 8.832 8.270 -0.000 0.000 0.422 64 A N 0.685 123.558 122.820 0.087 0.000 1.877 64 A HA -0.116 4.201 4.320 -0.006 0.000 0.216 64 A C 2.353 179.964 177.584 0.044 0.000 1.186 64 A CA 1.879 53.959 52.037 0.071 0.000 0.620 64 A CB -1.259 17.797 19.000 0.093 0.000 0.822 64 A HN 0.620 8.770 8.150 -0.000 0.000 0.443 65 A N -0.991 121.865 122.820 0.060 0.000 1.877 65 A HA -0.103 4.214 4.320 -0.006 0.000 0.216 65 A C 2.150 179.677 177.584 -0.096 0.000 1.186 65 A CA 2.016 53.973 52.037 -0.133 0.000 0.620 65 A CB -0.467 18.339 19.000 -0.323 0.000 0.822 65 A HN 0.421 8.571 8.150 -0.000 0.000 0.443 66 M N -0.972 118.646 119.600 0.031 0.000 2.175 66 M HA -0.119 4.358 4.480 -0.006 0.000 0.264 66 M C 2.182 178.504 176.300 0.038 0.000 1.063 66 M CA 1.688 57.026 55.300 0.063 0.000 1.119 66 M CB -1.301 31.377 32.600 0.130 0.000 1.377 66 M HN 0.567 8.857 8.290 -0.000 0.000 0.415 67 Q N 0.353 120.171 119.800 0.030 0.000 2.124 67 Q HA -0.094 4.243 4.340 -0.006 0.000 0.202 67 Q C 2.070 178.068 176.000 -0.004 0.000 0.977 67 Q CA 1.697 57.512 55.803 0.020 0.000 0.850 67 Q CB -0.335 28.416 28.738 0.021 0.000 0.901 67 Q HN 0.514 8.784 8.270 -0.000 0.000 0.429 68 M N -0.965 118.615 119.600 -0.033 0.000 2.117 68 M HA -0.135 4.342 4.480 -0.006 0.000 0.262 68 M C 1.680 177.946 176.300 -0.058 0.000 1.065 68 M CA 1.222 56.486 55.300 -0.060 0.000 1.114 68 M CB -0.143 32.390 32.600 -0.111 0.000 1.361 68 M HN 0.415 8.705 8.290 -0.000 0.000 0.408 69 L N 0.742 121.929 121.223 -0.060 0.000 2.017 69 L HA -0.212 4.125 4.340 -0.006 0.000 0.208 69 L C 2.232 179.111 176.870 0.015 0.000 1.073 69 L CA 2.049 56.867 54.840 -0.037 0.000 0.745 69 L CB -0.892 41.150 42.059 -0.029 0.000 0.894 69 L HN 0.311 8.541 8.230 -0.000 0.000 0.432 70 K N -0.637 119.783 120.400 0.033 0.000 2.063 70 K HA -0.250 4.067 4.320 -0.006 0.000 0.208 70 K C 2.187 178.806 176.600 0.033 0.000 1.048 70 K CA 1.753 58.075 56.287 0.058 0.000 0.928 70 K CB -0.232 32.302 32.500 0.057 0.000 0.713 70 K HN 0.536 8.786 8.250 -0.000 0.000 0.442 71 E N -0.373 119.830 120.200 0.005 0.000 2.077 71 E HA -0.161 4.185 4.350 -0.006 0.000 0.193 71 E C 1.529 178.109 176.600 -0.032 0.000 0.989 71 E CA 1.606 57.997 56.400 -0.014 0.000 0.800 71 E CB 0.058 29.745 29.700 -0.022 0.000 0.746 71 E HN 0.320 8.680 8.360 -0.000 0.000 0.452 72 T N 1.370 115.904 114.554 -0.033 0.000 2.746 72 T HA -0.133 4.214 4.350 -0.006 0.000 0.267 72 T C 1.939 176.602 174.700 -0.062 0.000 1.039 72 T CA 1.329 63.398 62.100 -0.051 0.000 1.142 72 T CB -0.194 68.650 68.868 -0.041 0.000 0.866 72 T HN 0.183 8.423 8.240 -0.000 0.000 0.444 73 I N 1.574 122.158 120.570 0.022 0.000 2.163 73 I HA -0.225 3.942 4.170 -0.006 0.000 0.243 73 I C 2.574 178.654 176.117 -0.062 0.000 1.085 73 I CA 1.295 62.651 61.300 0.093 0.000 1.347 73 I CB -0.424 37.750 38.000 0.289 0.000 1.044 73 I HN 0.223 8.433 8.210 -0.000 0.000 0.408 74 N N 0.923 119.600 118.700 -0.038 0.000 2.104 74 N HA -0.226 4.511 4.740 -0.006 0.000 0.190 74 N C 1.746 177.173 175.510 -0.139 0.000 1.024 74 N CA 1.623 54.632 53.050 -0.068 0.000 0.853 74 N CB -0.013 38.455 38.487 -0.032 0.000 1.008 74 N HN 0.346 8.726 8.380 -0.000 0.000 0.424 75 E N -0.294 119.817 120.200 -0.149 0.000 2.072 75 E HA -0.146 4.200 4.350 -0.006 0.000 0.191 75 E C 1.644 178.072 176.600 -0.286 0.000 0.985 75 E CA 0.849 57.149 56.400 -0.168 0.000 0.801 75 E CB -0.061 29.561 29.700 -0.131 0.000 0.750 75 E HN 0.434 8.794 8.360 -0.000 0.000 0.452 76 E N 0.604 120.513 120.200 -0.484 0.000 2.110 76 E HA -0.152 4.194 4.350 -0.006 0.000 0.193 76 E C 2.051 178.018 176.600 -1.055 0.000 0.988 76 E CA 0.916 56.770 56.400 -0.910 0.000 0.804 76 E CB -0.194 28.534 29.700 -1.620 0.000 0.745 76 E HN 0.221 8.581 8.360 -0.000 0.000 0.458 77 A N 1.558 123.842 122.820 -0.893 0.000 1.902 77 A HA -0.090 4.227 4.320 -0.006 0.000 0.217 77 A C 2.433 179.955 177.584 -0.102 0.000 1.181 77 A CA 2.025 53.812 52.037 -0.418 0.000 0.623 77 A CB -0.543 18.369 19.000 -0.147 0.000 0.818 77 A HN 0.269 8.418 8.150 -0.000 0.000 0.443 78 A N -0.316 122.429 122.820 -0.125 0.000 1.902 78 A HA -0.137 4.180 4.320 -0.006 0.000 0.217 78 A C 1.974 179.548 177.584 -0.016 0.000 1.181 78 A CA 2.093 54.104 52.037 -0.044 0.000 0.623 78 A CB -0.468 18.496 19.000 -0.060 0.000 0.818 78 A HN 0.562 8.712 8.150 -0.000 0.000 0.443 79 E N -0.654 119.509 120.200 -0.061 0.000 2.106 79 E HA -0.195 4.151 4.350 -0.006 0.000 0.192 79 E C 1.804 178.456 176.600 0.087 0.000 0.984 79 E CA 1.298 57.687 56.400 -0.019 0.000 0.806 79 E CB -0.400 29.263 29.700 -0.062 0.000 0.750 79 E HN 0.713 9.073 8.360 -0.000 0.000 0.458 80 W N 1.436 122.720 121.300 -0.028 0.000 2.335 80 W HA -0.212 4.446 4.660 -0.004 0.000 0.311 80 W C 0.914 177.543 176.519 0.184 0.000 1.213 80 W CA 2.042 59.474 57.345 0.145 0.000 1.274 80 W CB -0.398 29.163 29.460 0.169 0.000 1.148 80 W HN 0.120 8.300 8.180 -0.000 0.000 0.498 81 D N -0.157 120.406 120.400 0.271 0.000 2.144 81 D HA -0.199 4.437 4.640 -0.006 0.000 0.199 81 D C 2.183 178.503 176.300 0.034 0.000 0.984 81 D CA 1.597 55.689 54.000 0.153 0.000 0.834 81 D CB -0.537 40.343 40.800 0.134 0.000 0.955 81 D HN 0.230 8.600 8.370 -0.000 0.000 0.465 82 R N 0.306 120.812 120.500 0.009 0.000 2.096 82 R HA -0.032 4.305 4.340 -0.006 0.000 0.235 82 R C 1.956 178.199 176.300 -0.096 0.000 1.127 82 R CA 0.859 56.937 56.100 -0.036 0.000 0.968 82 R CB -0.086 30.193 30.300 -0.035 0.000 0.861 82 R HN 0.197 8.467 8.270 -0.000 0.000 0.440 83 L N -0.538 120.595 121.223 -0.151 0.000 2.529 83 L HA 0.082 4.419 4.340 -0.006 0.000 0.223 83 L C 0.374 176.889 176.870 -0.592 0.000 1.113 83 L CA 0.203 54.844 54.840 -0.331 0.000 0.861 83 L CB 0.129 41.966 42.059 -0.370 0.000 1.012 83 L HN 0.247 8.477 8.230 -0.000 0.000 0.461 84 H N 0.601 119.450 119.070 -0.369 0.000 2.379 84 H HA 0.287 4.840 4.556 -0.005 0.000 0.229 84 H C -2.351 172.881 175.328 -0.161 0.000 1.423 84 H CA -1.581 54.264 56.048 -0.337 0.000 1.375 84 H CB 0.723 30.149 29.762 -0.561 0.000 1.592 84 H HN 0.037 8.317 8.280 -0.000 0.000 0.507 97 G N 0.678 109.510 108.800 0.053 0.000 2.795 97 G HA2 0.257 4.214 3.960 -0.006 0.000 0.664 97 G HA3 0.257 4.214 3.960 -0.006 0.000 0.664 97 G C -1.017 173.915 174.900 0.054 0.000 1.381 97 G CA 0.115 45.249 45.100 0.058 0.000 0.853 97 G HN 1.431 9.721 8.290 -0.000 0.000 0.545 98 E N 0.526 120.745 120.200 0.033 0.000 2.227 98 E HA 0.615 4.962 4.350 -0.006 0.000 0.268 98 E C -2.076 174.335 176.600 -0.315 0.000 0.907 98 E CA -1.508 54.861 56.400 -0.052 0.000 0.786 98 E CB 2.070 31.883 29.700 0.188 0.000 1.191 98 E HN 0.504 8.864 8.360 -0.000 0.000 0.411 99 P HA 0.251 4.671 4.420 -0.000 0.000 0.276 99 P C -0.123 177.012 177.300 -0.275 0.000 1.244 99 P CA -0.538 62.017 63.100 -0.908 0.000 0.801 99 P CB 1.114 31.818 31.700 -1.660 0.000 1.006 100 R N 0.270 120.658 120.500 -0.187 0.000 2.583 100 R HA 0.246 4.583 4.340 -0.006 0.000 0.268 100 R C 1.933 178.146 176.300 -0.145 0.000 1.101 100 R CA -0.012 56.091 56.100 0.005 0.000 1.180 100 R CB -0.367 29.946 30.300 0.020 0.000 1.128 100 R HN 0.670 8.940 8.270 -0.000 0.000 0.568 101 G N 0.225 109.061 108.800 0.061 0.000 2.440 101 G HA2 -0.298 3.658 3.960 -0.006 0.000 0.218 101 G HA3 -0.298 3.658 3.960 -0.006 0.000 0.218 101 G C 1.354 176.241 174.900 -0.023 0.000 1.154 101 G CA 1.220 46.335 45.100 0.025 0.000 0.767 101 G HN 0.630 8.920 8.290 -0.000 0.000 0.552 102 S N 0.614 116.295 115.700 -0.031 0.000 2.423 102 S HA -0.086 4.381 4.470 -0.006 0.000 0.231 102 S C 1.703 176.240 174.600 -0.104 0.000 1.014 102 S CA 1.521 59.692 58.200 -0.049 0.000 0.965 102 S CB -0.138 63.052 63.200 -0.016 0.000 0.785 102 S HN 0.324 8.634 8.310 -0.000 0.000 0.495 103 D N 1.762 122.076 120.400 -0.143 0.000 2.149 103 D HA 0.110 4.746 4.640 -0.006 0.000 0.201 103 D C 1.915 178.059 176.300 -0.260 0.000 0.972 103 D CA 0.858 54.777 54.000 -0.135 0.000 0.835 103 D CB -0.275 40.397 40.800 -0.214 0.000 0.966 103 D HN 0.434 8.804 8.370 -0.000 0.000 0.476 104 I N 1.339 121.622 120.570 -0.478 0.000 2.226 104 I HA -0.213 3.954 4.170 -0.006 0.000 0.245 104 I C 2.264 177.929 176.117 -0.752 0.000 1.100 104 I CA 0.962 61.870 61.300 -0.654 0.000 1.374 104 I CB -0.132 37.267 38.000 -1.002 0.000 1.057 104 I HN -0.100 8.110 8.210 -0.000 0.000 0.413 105 A N 0.272 122.695 122.820 -0.663 0.000 2.235 105 A HA 0.228 4.544 4.320 -0.006 0.000 0.208 105 A C 1.904 179.087 177.584 -0.669 0.000 1.172 105 A CA 0.811 52.194 52.037 -1.090 0.000 0.786 105 A CB -0.798 17.961 19.000 -0.402 0.000 0.804 105 A HN 0.596 8.746 8.150 -0.000 0.000 0.479 106 G N -1.000 107.588 108.800 -0.355 0.000 2.155 106 G HA2 -0.361 3.596 3.960 -0.006 0.000 0.257 106 G HA3 -0.361 3.596 3.960 -0.006 0.000 0.257 106 G C 1.060 175.922 174.900 -0.064 0.000 0.983 106 G CA 1.559 46.577 45.100 -0.136 0.000 0.676 106 G HN 1.283 9.573 8.290 -0.000 0.000 0.528 107 T N -3.221 111.292 114.554 -0.069 0.000 2.942 107 T HA 0.113 4.460 4.350 -0.006 0.000 0.265 107 T C 2.079 176.776 174.700 -0.005 0.000 1.062 107 T CA 2.238 64.326 62.100 -0.021 0.000 1.139 107 T CB -0.188 68.672 68.868 -0.012 0.000 0.883 107 T HN 1.108 9.348 8.240 -0.000 0.000 0.468 108 T N -0.270 114.282 114.554 -0.002 0.000 3.091 108 T HA 0.402 4.749 4.350 -0.006 0.000 0.277 108 T C 0.484 175.212 174.700 0.047 0.000 0.996 108 T CA -0.108 62.005 62.100 0.021 0.000 0.897 108 T CB 0.005 68.889 68.868 0.026 0.000 1.109 108 T HN 0.535 8.775 8.240 -0.000 0.000 0.534 109 S N 1.322 117.052 115.700 0.049 0.000 2.566 109 S HA 0.722 5.189 4.470 -0.006 0.000 0.298 109 S C -0.038 174.562 174.600 -0.000 0.000 1.083 109 S CA -0.596 57.651 58.200 0.079 0.000 0.978 109 S CB 1.727 65.073 63.200 0.244 0.000 1.073 109 S HN 0.470 8.780 8.310 -0.000 0.000 0.491 110 T N -0.241 114.278 114.554 -0.057 0.000 2.927 110 T HA 0.448 4.795 4.350 -0.006 0.000 0.281 110 T C 1.080 175.700 174.700 -0.132 0.000 0.998 110 T CA -0.768 61.277 62.100 -0.092 0.000 1.019 110 T CB 0.808 69.612 68.868 -0.108 0.000 1.061 110 T HN 0.578 8.818 8.240 -0.000 0.000 0.518 111 L N 0.700 121.837 121.223 -0.144 0.000 2.042 111 L HA -0.100 4.237 4.340 -0.006 0.000 0.210 111 L C 2.746 179.498 176.870 -0.197 0.000 1.076 111 L CA 1.805 56.528 54.840 -0.194 0.000 0.749 111 L CB -1.001 40.897 42.059 -0.269 0.000 0.893 111 L HN 0.727 8.957 8.230 -0.000 0.000 0.432 112 Q N -0.321 119.366 119.800 -0.188 0.000 2.084 112 Q HA -0.237 4.099 4.340 -0.006 0.000 0.202 112 Q C 2.176 177.991 176.000 -0.309 0.000 0.978 112 Q CA 1.986 57.671 55.803 -0.197 0.000 0.844 112 Q CB -0.154 28.488 28.738 -0.160 0.000 0.898 112 Q HN 0.691 8.961 8.270 -0.000 0.000 0.426 113 E N 0.465 120.418 120.200 -0.411 0.000 2.085 113 E HA -0.219 4.127 4.350 -0.006 0.000 0.194 113 E C 2.119 178.167 176.600 -0.920 0.000 0.994 113 E CA 1.052 56.951 56.400 -0.836 0.000 0.801 113 E CB 0.017 29.176 29.700 -0.903 0.000 0.743 113 E HN 0.403 8.763 8.360 -0.000 0.000 0.453 114 Q N 0.267 119.841 119.800 -0.378 0.000 2.046 114 Q HA -0.131 4.206 4.340 -0.006 0.000 0.200 114 Q C 2.267 178.238 176.000 -0.049 0.000 0.975 114 Q CA 1.133 56.908 55.803 -0.046 0.000 0.836 114 Q CB -0.089 28.649 28.738 0.001 0.000 0.896 114 Q HN 0.320 8.590 8.270 -0.000 0.000 0.428 115 I N 0.424 120.929 120.570 -0.109 0.000 2.286 115 I HA -0.211 3.956 4.170 -0.006 0.000 0.248 115 I C 2.289 178.366 176.117 -0.067 0.000 1.115 115 I CA 1.110 62.376 61.300 -0.057 0.000 1.392 115 I CB -0.594 37.373 38.000 -0.055 0.000 1.065 115 I HN 0.293 8.503 8.210 -0.000 0.000 0.418 116 G N 0.451 109.137 108.800 -0.190 0.000 2.421 116 G HA2 -0.219 3.738 3.960 -0.006 0.000 0.216 116 G HA3 -0.219 3.738 3.960 -0.006 0.000 0.216 116 G C 1.332 176.202 174.900 -0.051 0.000 1.171 116 G CA 0.303 45.293 45.100 -0.184 0.000 0.775 116 G HN 0.296 8.586 8.290 -0.000 0.000 0.543 117 W N 0.670 121.964 121.300 -0.010 0.000 2.358 117 W HA 0.071 4.727 4.660 -0.007 0.000 0.303 117 W C 2.719 179.249 176.519 0.018 0.000 1.208 117 W CA 0.717 58.047 57.345 -0.025 0.000 1.274 117 W CB -0.843 28.565 29.460 -0.088 0.000 1.138 117 W HN 0.236 8.416 8.180 -0.000 0.000 0.515 118 M N -0.199 119.527 119.600 0.209 0.000 2.296 118 M HA -0.112 4.364 4.480 -0.006 0.000 0.265 118 M C 1.696 178.060 176.300 0.107 0.000 1.064 118 M CA 2.112 57.487 55.300 0.125 0.000 1.109 118 M CB -0.544 32.101 32.600 0.075 0.000 1.396 118 M HN -0.082 8.208 8.290 -0.000 0.000 0.430 119 T N -4.102 110.517 114.554 0.108 0.000 3.054 119 T HA 0.094 4.441 4.350 -0.006 0.000 0.255 119 T C 0.542 175.305 174.700 0.105 0.000 1.035 119 T CA -0.394 61.754 62.100 0.079 0.000 0.941 119 T CB -0.269 68.622 68.868 0.038 0.000 1.026 119 T HN 0.312 8.552 8.240 -0.000 0.000 0.533 120 H N 2.257 121.367 119.070 0.066 0.000 2.671 120 H HA 0.258 4.810 4.556 -0.006 0.000 0.372 120 H C -0.588 174.779 175.328 0.066 0.000 1.227 120 H CA 0.202 56.295 56.048 0.075 0.000 1.426 120 H CB 0.594 30.439 29.762 0.138 0.000 1.480 120 H HN 0.149 8.429 8.280 -0.000 0.000 0.611 121 N N 4.577 123.018 118.700 -0.432 0.000 2.564 121 N HA 0.209 4.945 4.740 -0.006 0.000 0.248 121 N C -2.417 173.024 175.510 -0.115 0.000 0.986 121 N CA -1.192 51.745 53.050 -0.189 0.000 0.921 121 N CB 1.701 40.082 38.487 -0.177 0.000 1.136 121 N HN 0.491 8.871 8.380 -0.000 0.000 0.509 122 P HA 0.387 4.807 4.420 -0.000 0.000 0.276 122 P C -2.769 174.701 177.300 0.284 0.000 1.244 122 P CA -1.221 61.979 63.100 0.166 0.000 0.801 122 P CB 0.647 32.434 31.700 0.144 0.000 1.006 123 P HA 0.324 4.744 4.420 -0.000 0.000 0.276 123 P C -0.585 176.814 177.300 0.165 0.000 1.244 123 P CA -0.203 63.017 63.100 0.200 0.000 0.801 123 P CB 0.745 32.521 31.700 0.126 0.000 1.006 124 I N 3.263 123.922 120.570 0.149 0.000 2.405 124 I HA 0.237 4.403 4.170 -0.006 0.000 0.280 124 I C -2.044 174.090 176.117 0.028 0.000 1.027 124 I CA -2.377 58.962 61.300 0.064 0.000 1.161 124 I CB 1.849 39.826 38.000 -0.038 0.000 1.300 124 I HN 0.096 8.306 8.210 -0.000 0.000 0.463 125 P HA 0.024 4.444 4.420 -0.000 0.000 0.244 125 P C 1.151 178.390 177.300 -0.102 0.000 1.769 125 P CA -0.115 62.976 63.100 -0.016 0.000 1.102 125 P CB 0.355 32.050 31.700 -0.008 0.000 1.937 126 V N 1.049 120.897 119.914 -0.110 0.000 2.626 126 V HA -0.070 4.046 4.120 -0.006 0.000 0.252 126 V C 2.281 178.257 176.094 -0.198 0.000 1.067 126 V CA 2.042 64.193 62.300 -0.249 0.000 1.081 126 V CB -1.933 29.766 31.823 -0.206 0.000 0.686 126 V HN 0.311 8.501 8.190 -0.000 0.000 0.468 127 G N -0.074 108.677 108.800 -0.083 0.000 2.418 127 G HA2 -0.173 3.784 3.960 -0.006 0.000 0.217 127 G HA3 -0.173 3.784 3.960 -0.006 0.000 0.217 127 G C 1.510 176.355 174.900 -0.092 0.000 1.158 127 G CA 0.824 45.894 45.100 -0.049 0.000 0.771 127 G HN 0.512 8.802 8.290 -0.000 0.000 0.545 128 E N 0.492 120.630 120.200 -0.103 0.000 2.106 128 E HA -0.022 4.324 4.350 -0.006 0.000 0.192 128 E C 2.615 179.120 176.600 -0.159 0.000 0.984 128 E CA 0.380 56.720 56.400 -0.100 0.000 0.806 128 E CB -0.219 29.444 29.700 -0.061 0.000 0.750 128 E HN 0.534 8.894 8.360 -0.000 0.000 0.458 129 I N 0.288 120.697 120.570 -0.268 0.000 2.179 129 I HA -0.290 3.877 4.170 -0.006 0.000 0.242 129 I C 2.454 178.106 176.117 -0.774 0.000 1.088 129 I CA 1.072 62.085 61.300 -0.479 0.000 1.357 129 I CB -0.368 37.245 38.000 -0.644 0.000 1.051 129 I HN 0.047 8.257 8.210 -0.000 0.000 0.409 130 Y N 2.086 121.885 120.300 -0.834 0.000 2.181 130 Y HA -0.243 4.304 4.550 -0.005 0.000 0.288 130 Y C 2.425 178.169 175.900 -0.260 0.000 1.146 130 Y CA 1.397 59.083 58.100 -0.690 0.000 1.164 130 Y CB -0.470 37.738 38.460 -0.420 0.000 0.982 130 Y HN 0.031 8.311 8.280 -0.000 0.000 0.515 131 K N -0.276 120.037 120.400 -0.144 0.000 2.063 131 K HA -0.251 4.066 4.320 -0.006 0.000 0.208 131 K C 2.386 179.004 176.600 0.031 0.000 1.048 131 K CA 1.766 58.041 56.287 -0.021 0.000 0.928 131 K CB -0.218 32.279 32.500 -0.006 0.000 0.713 131 K HN 0.194 8.444 8.250 -0.000 0.000 0.442 132 R N -0.247 120.249 120.500 -0.007 0.000 2.081 132 R HA -0.163 4.174 4.340 -0.006 0.000 0.235 132 R C 1.855 178.294 176.300 0.232 0.000 1.131 132 R CA 1.719 57.876 56.100 0.095 0.000 0.960 132 R CB -0.095 30.267 30.300 0.104 0.000 0.856 132 R HN 0.264 8.534 8.270 -0.000 0.000 0.436 133 W N 0.529 121.853 121.300 0.040 0.000 2.358 133 W HA -0.066 4.590 4.660 -0.007 0.000 0.303 133 W C 1.950 178.445 176.519 -0.041 0.000 1.208 133 W CA 0.442 57.811 57.345 0.039 0.000 1.274 133 W CB -0.867 28.670 29.460 0.128 0.000 1.138 133 W HN 0.127 8.307 8.180 -0.000 0.000 0.515 134 I N -0.201 120.425 120.570 0.093 0.000 2.226 134 I HA -0.301 3.865 4.170 -0.006 0.000 0.245 134 I C 2.248 178.248 176.117 -0.195 0.000 1.100 134 I CA 1.339 62.543 61.300 -0.159 0.000 1.374 134 I CB -0.602 37.136 38.000 -0.437 0.000 1.057 134 I HN -0.184 8.026 8.210 -0.000 0.000 0.413 135 I N 0.362 120.859 120.570 -0.121 0.000 2.286 135 I HA -0.296 3.870 4.170 -0.006 0.000 0.248 135 I C 2.394 178.497 176.117 -0.022 0.000 1.115 135 I CA 1.347 62.600 61.300 -0.079 0.000 1.392 135 I CB -0.262 37.756 38.000 0.029 0.000 1.065 135 I HN 0.187 8.397 8.210 -0.000 0.000 0.418 136 L N 0.281 121.522 121.223 0.031 0.000 2.042 136 L HA -0.185 4.151 4.340 -0.006 0.000 0.210 136 L C 2.666 179.523 176.870 -0.021 0.000 1.076 136 L CA 1.682 56.537 54.840 0.024 0.000 0.749 136 L CB -1.238 40.857 42.059 0.060 0.000 0.893 136 L HN 0.344 8.574 8.230 -0.000 0.000 0.432 137 G N -0.055 108.725 108.800 -0.033 0.000 2.418 137 G HA2 -0.195 3.762 3.960 -0.006 0.000 0.217 137 G HA3 -0.195 3.762 3.960 -0.006 0.000 0.217 137 G C 1.637 176.468 174.900 -0.115 0.000 1.158 137 G CA 0.478 45.535 45.100 -0.072 0.000 0.771 137 G HN 0.217 8.507 8.290 -0.000 0.000 0.545 138 L N 0.344 121.500 121.223 -0.111 0.000 2.046 138 L HA -0.113 4.223 4.340 -0.006 0.000 0.208 138 L C 2.756 179.581 176.870 -0.074 0.000 1.077 138 L CA 0.956 55.744 54.840 -0.086 0.000 0.747 138 L CB -0.442 41.581 42.059 -0.060 0.000 0.896 138 L HN 0.257 8.487 8.230 -0.000 0.000 0.432 139 N N 0.100 118.768 118.700 -0.053 0.000 2.120 139 N HA -0.194 4.543 4.740 -0.006 0.000 0.188 139 N C 1.770 177.236 175.510 -0.073 0.000 1.024 139 N CA 1.276 54.303 53.050 -0.038 0.000 0.852 139 N CB 0.012 38.491 38.487 -0.013 0.000 1.003 139 N HN 0.402 8.782 8.380 -0.000 0.000 0.424 140 K N 0.840 121.181 120.400 -0.099 0.000 2.057 140 K HA -0.077 4.239 4.320 -0.006 0.000 0.207 140 K C 2.137 178.606 176.600 -0.219 0.000 1.049 140 K CA 0.945 57.155 56.287 -0.127 0.000 0.931 140 K CB -0.120 32.308 32.500 -0.120 0.000 0.714 140 K HN 0.173 8.423 8.250 -0.000 0.000 0.440 141 I N 0.648 121.025 120.570 -0.321 0.000 2.179 141 I HA -0.279 3.888 4.170 -0.006 0.000 0.242 141 I C 2.288 178.088 176.117 -0.530 0.000 1.088 141 I CA 1.033 61.961 61.300 -0.620 0.000 1.357 141 I CB -0.359 37.154 38.000 -0.812 0.000 1.051 141 I HN -0.073 8.137 8.210 -0.000 0.000 0.409 142 V N 0.872 120.648 119.914 -0.230 0.000 2.287 142 V HA -0.303 3.813 4.120 -0.006 0.000 0.248 142 V C 2.591 178.667 176.094 -0.030 0.000 1.053 142 V CA 1.962 64.233 62.300 -0.048 0.000 1.027 142 V CB -0.754 31.087 31.823 0.029 0.000 0.646 142 V HN 0.368 8.558 8.190 -0.000 0.000 0.447 143 R N -0.930 119.537 120.500 -0.055 0.000 2.120 143 R HA -0.138 4.199 4.340 -0.006 0.000 0.234 143 R C 2.297 178.589 176.300 -0.014 0.000 1.123 143 R CA 1.793 57.880 56.100 -0.023 0.000 0.975 143 R CB -0.320 29.963 30.300 -0.028 0.000 0.866 143 R HN 0.498 8.768 8.270 -0.000 0.000 0.446 144 M N -0.214 119.342 119.600 -0.073 0.000 2.156 144 M HA -0.105 4.372 4.480 -0.006 0.000 0.264 144 M C -0.006 176.405 176.300 0.186 0.000 1.067 144 M CA 1.441 56.730 55.300 -0.019 0.000 1.131 144 M CB 0.409 32.912 32.600 -0.162 0.000 1.368 144 M HN -0.032 8.258 8.290 -0.000 0.000 0.416 145 Y N 0.609 120.897 120.300 -0.021 0.000 2.812 145 Y HA 0.437 4.983 4.550 -0.008 0.000 0.354 145 Y C 0.301 176.216 175.900 0.026 0.000 1.276 145 Y CA -1.047 57.058 58.100 0.008 0.000 1.639 145 Y CB -0.904 37.573 38.460 0.028 0.000 1.741 145 Y HN 0.057 8.337 8.280 -0.000 0.000 0.479 146 S N 0.000 115.793 115.700 0.155 0.000 2.498 146 S HA 0.000 4.467 4.470 -0.006 0.000 0.327 146 S CA 0.000 58.258 58.200 0.096 0.000 1.107 146 S CB 0.000 63.239 63.200 0.064 0.000 0.593 146 S HN 0.000 8.310 8.310 -0.000 0.000 0.517