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 2krr_1_A DATA FIRST_RESID 1 DATA SEQUENCE GTEPTTAFNL FVGNLNFNKS APELKTGISD VFAKNDLAVV DVRIGMTRKF DATA SEQUENCE GYVDFESAED LEKALELTGL KVFGNEIKLE KPKGKDSKKE RDARTLLAKN DATA SEQUENCE LPYKVTQDEL KEVFEDAAEI RLVSKDGKSK GIAYIEFKTE ADAEKTFEEK DATA SEQUENCE QGTEIDGRSI SLYYTGEPKG EGLE 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.938 3.960 -0.036 0.000 0.244 1 G C 0.000 174.879 174.900 -0.035 0.000 0.946 1 G CA 0.000 45.072 45.100 -0.046 0.000 0.502 2 T N 1.227 115.767 114.554 -0.023 0.000 3.558 2 T HA -0.261 4.082 4.350 -0.012 0.000 0.391 2 T C -0.844 173.845 174.700 -0.017 0.000 0.766 2 T CA 1.464 63.554 62.100 -0.017 0.000 1.951 2 T CB -0.298 68.562 68.868 -0.015 0.000 1.743 2 T HN -0.070 8.157 8.240 -0.021 0.000 0.688 3 E N -1.960 118.231 120.200 -0.016 0.000 2.201 3 E HA 0.131 4.475 4.350 -0.009 0.000 0.271 3 E C -2.390 174.206 176.600 -0.007 0.000 1.080 3 E CA 0.003 56.395 56.400 -0.013 0.000 1.952 3 E CB -0.623 29.066 29.700 -0.019 0.000 3.129 3 E HN -0.105 8.247 8.360 -0.016 -0.002 1.052 4 P HA 0.202 4.752 4.420 0.011 -0.124 0.272 4 P C -1.066 176.241 177.300 0.012 0.000 1.230 4 P CA -0.225 62.878 63.100 0.005 0.000 0.788 4 P CB 0.727 32.428 31.700 0.001 0.000 0.949 5 T N -0.847 113.724 114.554 0.028 0.000 3.018 5 T HA 0.108 4.472 4.350 0.023 0.000 0.246 5 T C -0.095 174.639 174.700 0.056 0.000 1.026 5 T CA 0.372 62.493 62.100 0.035 0.000 1.081 5 T CB 0.840 69.730 68.868 0.036 0.000 0.970 5 T HN 0.403 8.665 8.240 0.036 0.000 0.475 6 T N -1.635 112.972 114.554 0.088 0.000 2.949 6 T HA 0.239 4.660 4.350 0.119 0.000 0.287 6 T C -0.696 174.044 174.700 0.066 0.000 1.034 6 T CA -2.344 59.841 62.100 0.142 0.000 1.018 6 T CB 3.015 72.070 68.868 0.312 0.000 1.135 6 T HN -0.984 7.308 8.240 0.086 0.000 0.532 7 A N 0.288 123.067 122.820 -0.068 0.000 2.178 7 A HA 0.141 4.388 4.320 -0.122 0.000 0.211 7 A C -0.391 177.034 177.584 -0.264 0.000 1.157 7 A CA 0.335 52.228 52.037 -0.241 0.000 0.780 7 A CB 0.492 19.251 19.000 -0.402 0.000 0.828 7 A HN 0.354 8.462 8.150 -0.070 0.000 0.476 8 F N -1.363 118.638 119.950 0.086 0.000 2.438 8 F HA -0.037 4.550 4.527 0.100 0.000 0.360 8 F C -1.909 174.011 175.800 0.199 0.000 1.118 8 F CA -0.541 57.535 58.000 0.125 0.000 1.164 8 F CB -0.489 38.590 39.000 0.132 0.000 1.131 8 F HN -0.218 8.145 8.300 0.183 0.047 0.527 9 N N 1.433 120.329 118.700 0.327 0.000 2.484 9 N HA 0.756 5.989 4.740 0.453 -0.222 0.269 9 N C -2.012 173.711 175.510 0.356 0.000 1.237 9 N CA -0.578 52.683 53.050 0.352 0.000 0.838 9 N CB 4.138 42.767 38.487 0.238 0.000 1.593 9 N HN -0.174 8.353 8.380 0.245 0.000 0.485 10 L N -3.880 117.595 121.223 0.420 0.000 2.388 10 L HA 0.884 5.423 4.340 0.332 0.000 0.264 10 L C -1.891 175.204 176.870 0.375 0.000 0.998 10 L CA -1.118 53.939 54.840 0.361 0.000 0.817 10 L CB 3.975 46.192 42.059 0.263 0.000 1.338 10 L HN 0.178 8.685 8.230 0.461 0.000 0.414 11 F N 4.654 124.698 119.950 0.157 0.000 2.444 11 F HA 0.380 4.711 4.527 -0.510 -0.111 0.360 11 F C -1.601 174.160 175.800 -0.064 0.000 1.106 11 F CA -1.104 56.821 58.000 -0.125 0.000 1.170 11 F CB 1.321 40.270 39.000 -0.086 0.000 1.113 11 F HN 0.038 8.597 8.300 0.430 0.000 0.521 12 V N 4.220 123.834 119.914 -0.500 0.000 2.994 12 V HA 1.194 5.548 4.120 0.056 -0.200 0.318 12 V C -1.335 174.565 176.094 -0.324 0.000 1.085 12 V CA -4.249 57.941 62.300 -0.183 0.000 0.998 12 V CB 3.542 35.370 31.823 0.008 0.000 1.063 12 V HN 0.731 8.314 8.190 -0.838 0.104 0.447 13 G N -0.371 108.429 108.800 0.000 0.000 2.721 13 G HA2 0.349 4.369 3.960 0.100 0.000 0.296 13 G HA3 0.349 4.414 3.960 0.175 0.000 0.296 13 G C -2.133 172.849 174.900 0.136 0.000 1.383 13 G CA -1.075 44.084 45.100 0.099 0.000 0.788 13 G HN 0.285 8.530 8.290 0.084 0.095 0.500 14 N N -1.103 117.702 118.700 0.175 0.000 2.714 14 N HA -0.389 4.469 4.740 0.197 0.000 0.253 14 N C 0.052 175.637 175.510 0.125 0.000 1.024 14 N CA 0.774 53.920 53.050 0.160 0.000 0.726 14 N CB -0.612 37.955 38.487 0.133 0.000 0.908 14 N HN 0.017 8.525 8.380 0.215 0.000 0.542 15 L N -4.042 117.256 121.223 0.126 0.000 2.700 15 L HA 0.083 4.479 4.340 0.093 0.000 0.234 15 L C -0.543 176.365 176.870 0.062 0.000 1.156 15 L CA -1.365 53.529 54.840 0.091 0.000 0.946 15 L CB -0.744 41.350 42.059 0.058 0.000 1.216 15 L HN -0.447 7.762 8.230 0.159 0.117 0.493 16 N N -1.888 116.844 118.700 0.054 0.000 4.119 16 N HA -0.294 4.313 4.740 -0.221 0.000 0.319 16 N C -1.021 174.442 175.510 -0.077 0.000 2.191 16 N CA 0.935 53.918 53.050 -0.112 0.000 2.993 16 N CB 0.683 39.076 38.487 -0.156 0.000 0.292 16 N HN -0.286 8.075 8.380 0.111 0.086 0.761 17 F N 0.320 120.244 119.950 -0.043 0.000 2.366 17 F HA 0.563 5.172 4.527 -0.074 -0.126 0.328 17 F C -0.957 174.798 175.800 -0.075 0.000 1.180 17 F CA -1.610 56.359 58.000 -0.052 0.000 1.232 17 F CB -1.213 37.787 39.000 0.000 0.000 1.513 17 F HN 0.286 7.911 8.300 -1.125 0.000 0.540 18 N N 1.034 119.638 118.700 -0.160 0.000 2.354 18 N HA -0.002 4.692 4.740 -0.078 0.000 0.253 18 N C -0.083 175.318 175.510 -0.180 0.000 1.096 18 N CA 0.166 53.115 53.050 -0.168 0.000 0.820 18 N CB 2.136 40.476 38.487 -0.244 0.000 1.610 18 N HN -0.187 8.068 8.380 -0.209 0.000 0.501 19 K N 0.746 120.963 120.400 -0.305 0.000 2.273 19 K HA 0.133 4.312 4.320 -0.235 0.000 0.240 19 K C -0.639 175.852 176.600 -0.181 0.000 1.056 19 K CA -0.585 55.515 56.287 -0.311 0.000 0.910 19 K CB 0.744 32.875 32.500 -0.615 0.000 1.196 19 K HN -0.032 7.979 8.250 -0.398 0.000 0.509 20 S N -0.967 114.651 115.700 -0.136 0.000 2.641 20 S HA -0.007 4.425 4.470 -0.064 0.000 0.261 20 S C 0.532 175.089 174.600 -0.072 0.000 1.257 20 S CA 0.170 58.324 58.200 -0.077 0.000 0.983 20 S CB 0.545 63.716 63.200 -0.048 0.000 0.990 20 S HN -0.038 8.187 8.310 -0.142 0.000 0.572 21 A N 1.153 123.943 122.820 -0.049 0.000 1.832 21 A HA -0.008 4.278 4.320 -0.057 0.000 0.214 21 A C 0.178 177.743 177.584 -0.031 0.000 1.200 21 A CA 3.822 55.832 52.037 -0.046 0.000 0.610 21 A CB -2.218 16.758 19.000 -0.040 0.000 0.842 21 A HN 0.486 8.612 8.150 -0.040 0.000 0.444 22 P HA -0.096 4.322 4.420 -0.005 0.000 0.234 22 P C 0.344 177.654 177.300 0.016 0.000 1.167 22 P CA 1.047 64.145 63.100 -0.004 0.000 0.763 22 P CB -0.171 31.527 31.700 -0.004 0.000 0.835 23 E N -2.229 117.980 120.200 0.014 0.000 2.371 23 E HA -0.073 4.331 4.350 0.091 0.000 0.194 23 E C 1.391 178.089 176.600 0.162 0.000 1.012 23 E CA 1.101 57.541 56.400 0.067 0.000 0.860 23 E CB -0.530 29.172 29.700 0.002 0.000 0.811 23 E HN 0.413 8.575 8.360 -0.014 0.189 0.502 24 L N -1.088 120.182 121.223 0.078 0.000 2.168 24 L HA -0.187 4.381 4.340 0.381 0.000 0.203 24 L C 1.673 178.611 176.870 0.113 0.000 1.078 24 L CA 2.465 57.394 54.840 0.148 0.000 0.780 24 L CB -0.005 42.065 42.059 0.018 0.000 0.939 24 L HN -0.435 7.653 8.230 0.013 0.150 0.451 25 K N -0.964 119.462 120.400 0.044 0.000 2.074 25 K HA -0.442 3.879 4.320 0.002 0.000 0.209 25 K C 2.216 178.812 176.600 -0.007 0.000 1.048 25 K CA 4.199 60.492 56.287 0.011 0.000 0.926 25 K CB -0.499 32.003 32.500 0.003 0.000 0.713 25 K HN -0.508 7.760 8.250 0.030 0.000 0.444 26 T N 1.162 115.724 114.554 0.013 0.000 2.607 26 T HA -0.382 3.948 4.350 -0.035 0.000 0.267 26 T C 2.124 176.765 174.700 -0.098 0.000 1.049 26 T CA 4.754 66.839 62.100 -0.026 0.000 1.162 26 T CB -0.162 68.706 68.868 0.000 0.000 0.863 26 T HN -0.700 7.560 8.240 0.045 0.007 0.424 27 G N 0.606 109.338 108.800 -0.113 0.000 2.476 27 G HA2 -0.345 3.406 3.960 -0.348 0.000 0.218 27 G HA3 -0.345 3.401 3.960 -0.356 0.000 0.218 27 G C 0.853 175.577 174.900 -0.292 0.000 1.164 27 G CA 1.864 46.797 45.100 -0.278 0.000 0.768 27 G HN -0.665 7.633 8.290 0.015 0.000 0.560 28 I N 1.849 122.279 120.570 -0.232 0.000 2.118 28 I HA -0.593 3.249 4.170 -0.546 0.000 0.241 28 I C 1.908 177.597 176.117 -0.713 0.000 1.070 28 I CA 4.138 65.181 61.300 -0.428 0.000 1.327 28 I CB -0.071 37.834 38.000 -0.159 0.000 1.034 28 I HN -0.133 8.019 8.210 -0.098 0.000 0.405 29 S N -2.150 113.378 115.700 -0.286 0.000 2.453 29 S HA -0.338 4.173 4.470 0.068 0.000 0.231 29 S C 2.138 176.653 174.600 -0.142 0.000 1.005 29 S CA 2.759 60.890 58.200 -0.114 0.000 0.949 29 S CB -0.295 62.888 63.200 -0.028 0.000 0.774 29 S HN -0.064 8.142 8.310 -0.174 0.000 0.510 30 D N 3.483 123.750 120.400 -0.221 0.000 2.085 30 D HA -0.173 4.405 4.640 -0.102 0.000 0.199 30 D C 1.934 178.129 176.300 -0.174 0.000 0.981 30 D CA 3.236 57.134 54.000 -0.170 0.000 0.834 30 D CB 0.422 41.104 40.800 -0.197 0.000 0.992 30 D HN -0.259 7.784 8.370 -0.259 0.171 0.457 31 V N 0.053 119.789 119.914 -0.296 0.000 2.317 31 V HA -0.460 3.581 4.120 -0.131 0.000 0.251 31 V C 1.614 177.688 176.094 -0.034 0.000 1.065 31 V CA 3.658 65.828 62.300 -0.218 0.000 1.049 31 V CB -0.543 31.095 31.823 -0.309 0.000 0.651 31 V HN -0.009 7.950 8.190 -0.385 0.000 0.450 32 F N -2.333 117.631 119.950 0.023 0.000 2.186 32 F HA -0.234 4.339 4.527 0.077 0.000 0.299 32 F C 1.864 177.689 175.800 0.041 0.000 1.090 32 F CA 1.960 59.996 58.000 0.060 0.000 1.307 32 F CB -2.131 36.923 39.000 0.091 0.000 1.019 32 F HN -0.812 7.145 8.300 -0.554 0.010 0.489 33 A N -3.293 119.630 122.820 0.173 0.000 2.076 33 A HA -0.126 4.469 4.320 0.112 -0.208 0.220 33 A C 2.040 179.665 177.584 0.068 0.000 1.160 33 A CA 2.485 54.579 52.037 0.096 0.000 0.653 33 A CB -0.865 18.157 19.000 0.038 0.000 0.801 33 A HN -0.372 7.750 8.150 0.111 0.094 0.455 34 K N -2.482 117.955 120.400 0.061 0.000 2.305 34 K HA -0.138 4.197 4.320 0.026 0.000 0.199 34 K C 0.321 176.956 176.600 0.059 0.000 1.047 34 K CA 2.130 58.441 56.287 0.041 0.000 0.976 34 K CB -0.059 32.451 32.500 0.017 0.000 0.765 34 K HN -0.543 7.583 8.250 0.065 0.163 0.474 35 N N -0.512 118.247 118.700 0.099 0.000 2.327 35 N HA 0.106 4.885 4.740 0.065 0.000 0.231 35 N C -1.737 173.819 175.510 0.077 0.000 1.130 35 N CA 0.216 53.321 53.050 0.091 0.000 0.845 35 N CB -0.497 38.066 38.487 0.126 0.000 1.073 35 N HN -0.511 7.791 8.380 0.138 0.160 0.496 36 D N -3.850 116.590 120.400 0.068 0.000 2.837 36 D HA -0.435 4.234 4.640 0.048 0.000 0.230 36 D C -1.617 174.724 176.300 0.068 0.000 1.152 36 D CA 1.620 55.652 54.000 0.054 0.000 0.736 36 D CB -1.212 39.607 40.800 0.033 0.000 1.084 36 D HN -0.457 7.847 8.370 0.066 0.105 0.429 37 L N -3.240 118.051 121.223 0.112 0.000 2.334 37 L HA 0.289 4.696 4.340 0.111 0.000 0.270 37 L C -1.079 175.881 176.870 0.150 0.000 1.018 37 L CA -1.168 53.760 54.840 0.147 0.000 0.811 37 L CB 2.655 44.843 42.059 0.214 0.000 1.271 37 L HN -0.481 7.804 8.230 0.131 0.023 0.443 38 A N 0.646 123.556 122.820 0.151 0.000 2.357 38 A HA 0.383 4.752 4.320 0.081 0.000 0.295 38 A C -1.801 175.811 177.584 0.047 0.000 1.121 38 A CA -1.192 50.900 52.037 0.092 0.000 0.742 38 A CB 1.494 20.530 19.000 0.059 0.000 1.181 38 A HN 0.324 8.589 8.150 0.192 0.000 0.454 39 V N 0.471 120.362 119.914 -0.038 0.000 2.472 39 V HA 0.679 4.687 4.120 -0.376 -0.113 0.290 39 V C -0.329 175.708 176.094 -0.095 0.000 1.037 39 V CA -2.077 60.101 62.300 -0.204 0.000 0.908 39 V CB 1.171 32.856 31.823 -0.229 0.000 0.985 39 V HN 0.165 8.362 8.190 0.012 0.000 0.454 40 V N 0.256 120.116 119.914 -0.090 0.000 2.878 40 V HA 0.236 4.349 4.120 -0.012 0.000 0.250 40 V C -0.282 175.797 176.094 -0.024 0.000 1.075 40 V CA 0.038 62.324 62.300 -0.024 0.000 1.096 40 V CB 0.832 32.667 31.823 0.020 0.000 0.724 40 V HN 0.444 8.440 8.190 -0.141 0.109 0.467 41 D N -0.198 120.173 120.400 -0.048 0.000 2.747 41 D HA 0.085 4.713 4.640 -0.021 0.000 0.218 41 D C -2.828 173.453 176.300 -0.032 0.000 1.230 41 D CA 0.338 54.323 54.000 -0.026 0.000 0.774 41 D CB 3.000 43.798 40.800 -0.003 0.000 1.667 41 D HN -0.796 7.517 8.370 -0.095 0.000 0.499 42 V N 2.652 122.559 119.914 -0.012 0.000 2.604 42 V HA 0.452 4.701 4.120 0.020 -0.117 0.305 42 V C -1.229 174.878 176.094 0.022 0.000 1.043 42 V CA -1.728 60.578 62.300 0.011 0.000 0.888 42 V CB 2.826 34.657 31.823 0.013 0.000 0.995 42 V HN 0.168 8.352 8.190 -0.010 0.000 0.429 43 R N 5.915 126.447 120.500 0.052 0.000 2.740 43 R HA 0.415 4.762 4.340 0.012 0.000 0.282 43 R C -1.881 174.426 176.300 0.012 0.000 0.969 43 R CA -2.042 54.083 56.100 0.043 0.000 0.918 43 R CB 3.779 34.123 30.300 0.074 0.000 1.175 43 R HN 0.873 9.086 8.270 0.088 0.110 0.464 44 I N 2.891 123.430 120.570 -0.052 0.000 2.545 44 I HA 0.233 4.390 4.170 -0.198 -0.106 0.292 44 I C 0.102 176.073 176.117 -0.243 0.000 1.040 44 I CA -1.831 59.377 61.300 -0.154 0.000 1.068 44 I CB 3.486 41.415 38.000 -0.118 0.000 1.251 44 I HN 0.328 8.513 8.210 -0.042 0.000 0.424 45 G N 4.038 112.514 108.800 -0.539 0.000 2.590 45 G HA2 0.048 3.772 3.960 -0.394 0.000 0.276 45 G HA3 0.048 3.225 3.960 -1.306 0.000 0.276 45 G C 0.197 174.904 174.900 -0.322 0.000 1.337 45 G CA -0.475 44.242 45.100 -0.637 0.000 1.030 45 G HN 0.558 8.298 8.290 -0.721 0.118 0.534 46 M N -4.274 115.209 119.600 -0.196 0.000 2.334 46 M HA -0.092 4.341 4.480 -0.078 0.000 0.266 46 M C 1.695 177.960 176.300 -0.058 0.000 1.082 46 M CA 2.965 58.216 55.300 -0.081 0.000 1.141 46 M CB 0.291 32.880 32.600 -0.019 0.000 1.380 46 M HN -0.050 8.134 8.290 -0.177 0.000 0.440 47 T N 0.540 115.069 114.554 -0.041 0.000 3.072 47 T HA -0.183 4.170 4.350 0.004 0.000 0.266 47 T C -0.344 174.363 174.700 0.011 0.000 1.127 47 T CA 1.923 64.030 62.100 0.012 0.000 1.107 47 T CB -0.476 68.457 68.868 0.107 0.000 0.910 47 T HN -0.214 7.994 8.240 -0.053 0.000 0.513 48 R N -5.692 114.770 120.500 -0.063 0.000 3.770 48 R HA -0.343 3.935 4.340 -0.103 0.000 0.305 48 R C -1.440 174.903 176.300 0.071 0.000 1.184 48 R CA 0.843 56.924 56.100 -0.032 0.000 0.823 48 R CB -2.644 27.662 30.300 0.010 0.000 1.285 48 R HN 0.160 8.164 8.270 -0.157 0.173 0.499 49 K N -3.002 117.462 120.400 0.106 0.000 2.425 49 K HA 0.070 4.571 4.320 0.303 0.000 0.201 49 K C -1.568 175.194 176.600 0.271 0.000 1.128 49 K CA 0.200 56.648 56.287 0.268 0.000 1.000 49 K CB 1.316 34.010 32.500 0.325 0.000 0.961 49 K HN -0.123 8.110 8.250 0.023 0.031 0.555 50 F N -5.581 114.353 119.950 -0.026 0.000 2.789 50 F HA 0.330 4.763 4.527 -0.157 0.000 0.319 50 F C -2.872 172.787 175.800 -0.235 0.000 1.168 50 F CA -1.636 56.261 58.000 -0.172 0.000 0.934 50 F CB 1.837 40.695 39.000 -0.238 0.000 1.375 50 F HN -0.790 7.398 8.300 -0.186 0.000 0.480 51 G N -3.004 105.542 108.800 -0.425 0.000 2.393 51 G HA2 0.360 4.069 3.960 -0.419 0.000 0.264 51 G HA3 0.360 4.337 3.960 -0.250 -0.167 0.264 51 G C -3.314 171.240 174.900 -0.577 0.000 1.221 51 G CA 0.947 45.797 45.100 -0.416 0.000 0.912 51 G HN 0.189 8.120 8.290 -0.425 0.104 0.483 52 Y N -3.099 117.148 120.300 -0.089 0.000 2.553 52 Y HA 0.805 5.530 4.550 0.007 -0.171 0.347 52 Y C -1.153 174.770 175.900 0.037 0.000 1.019 52 Y CA -1.264 56.836 58.100 0.001 0.000 1.032 52 Y CB 5.240 43.727 38.460 0.045 0.000 1.284 52 Y HN 0.570 8.804 8.280 0.132 0.124 0.466 53 V N 1.390 121.446 119.914 0.237 0.000 2.483 53 V HA 0.250 4.387 4.120 0.028 0.000 0.297 53 V C -1.498 174.595 176.094 -0.002 0.000 1.027 53 V CA -1.054 61.288 62.300 0.070 0.000 0.855 53 V CB 2.467 34.326 31.823 0.061 0.000 0.995 53 V HN 0.495 8.870 8.190 0.309 0.000 0.424 54 D N 6.890 127.213 120.400 -0.129 0.000 2.177 54 D HA 0.635 5.597 4.640 0.210 -0.196 0.247 54 D C -0.413 175.728 176.300 -0.266 0.000 1.063 54 D CA -1.567 52.422 54.000 -0.018 0.000 0.867 54 D CB 1.523 42.348 40.800 0.043 0.000 1.168 54 D HN 0.607 8.901 8.370 -0.128 0.000 0.445 55 F N 1.065 121.074 119.950 0.099 0.000 2.538 55 F HA 0.347 4.883 4.527 0.014 0.000 0.325 55 F C 0.574 176.374 175.800 -0.000 0.000 1.066 55 F CA -1.581 56.432 58.000 0.022 0.000 0.946 55 F CB 3.058 42.033 39.000 -0.042 0.000 1.199 55 F HN 0.079 8.696 8.300 0.527 0.000 0.473 56 E N 1.321 121.585 120.200 0.108 0.000 2.070 56 E HA -0.320 4.061 4.350 0.051 0.000 0.197 56 E C 0.249 176.703 176.600 -0.244 0.000 1.004 56 E CA 3.055 59.454 56.400 -0.002 0.000 0.805 56 E CB 0.541 30.234 29.700 -0.013 0.000 0.744 56 E HN 0.232 8.666 8.360 0.124 0.000 0.451 57 S N -4.380 111.080 115.700 -0.399 0.000 2.661 57 S HA 0.229 3.643 4.470 -1.759 0.000 0.285 57 S C -1.090 173.046 174.600 -0.775 0.000 1.138 57 S CA -1.186 56.475 58.200 -0.899 0.000 0.855 57 S CB 2.917 65.837 63.200 -0.466 0.000 1.136 57 S HN -0.679 7.523 8.310 -0.181 0.000 0.484 58 A N 2.421 124.752 122.820 -0.815 0.000 2.076 58 A HA -0.281 4.005 4.320 -0.058 0.000 0.220 58 A C 1.649 179.111 177.584 -0.203 0.000 1.160 58 A CA 2.769 54.674 52.037 -0.221 0.000 0.653 58 A CB -0.981 18.051 19.000 0.053 0.000 0.801 58 A HN 0.669 8.192 8.150 -1.046 0.000 0.455 59 E N -1.134 118.935 120.200 -0.218 0.000 2.017 59 E HA -0.384 3.887 4.350 -0.132 0.000 0.193 59 E C 2.358 178.839 176.600 -0.197 0.000 0.997 59 E CA 3.441 59.744 56.400 -0.163 0.000 0.804 59 E CB -0.607 29.017 29.700 -0.125 0.000 0.757 59 E HN 0.515 8.664 8.360 -0.269 0.049 0.448 60 D N -0.288 119.997 120.400 -0.191 0.000 2.144 60 D HA -0.229 4.329 4.640 -0.137 0.000 0.199 60 D C 2.314 178.211 176.300 -0.671 0.000 0.984 60 D CA 3.123 57.010 54.000 -0.188 0.000 0.834 60 D CB -0.422 40.434 40.800 0.093 0.000 0.955 60 D HN -0.569 7.701 8.370 -0.166 0.000 0.465 61 L N 0.394 121.081 121.223 -0.892 0.000 1.961 61 L HA -0.437 1.774 4.340 -3.548 0.000 0.210 61 L C 1.644 178.042 176.870 -0.787 0.000 1.072 61 L CA 3.272 57.234 54.840 -1.464 0.000 0.749 61 L CB 0.121 41.856 42.059 -0.539 0.000 0.889 61 L HN -0.517 7.421 8.230 -0.471 0.010 0.432 62 E N -2.698 117.264 120.200 -0.396 0.000 2.204 62 E HA -0.349 3.882 4.350 -0.199 0.000 0.195 62 E C 2.763 179.230 176.600 -0.223 0.000 0.990 62 E CA 2.547 58.807 56.400 -0.232 0.000 0.821 62 E CB -0.650 28.972 29.700 -0.130 0.000 0.750 62 E HN 0.007 8.063 8.360 -0.324 0.109 0.477 63 K N -0.931 119.314 120.400 -0.258 0.000 2.032 63 K HA -0.255 3.992 4.320 -0.123 0.000 0.209 63 K C 2.159 178.656 176.600 -0.171 0.000 1.048 63 K CA 2.462 58.642 56.287 -0.179 0.000 0.927 63 K CB -0.494 31.914 32.500 -0.154 0.000 0.712 63 K HN -0.022 7.925 8.250 -0.314 0.114 0.441 64 A N -2.000 120.652 122.820 -0.280 0.000 1.978 64 A HA -0.217 4.034 4.320 -0.116 0.000 0.220 64 A C 1.243 178.762 177.584 -0.109 0.000 1.170 64 A CA 2.800 54.710 52.037 -0.212 0.000 0.636 64 A CB -0.687 18.080 19.000 -0.388 0.000 0.810 64 A HN -0.524 7.355 8.150 -0.451 0.000 0.448 65 L N -4.470 116.676 121.223 -0.128 0.000 2.291 65 L HA -0.194 4.133 4.340 -0.022 0.000 0.214 65 L C 1.637 178.487 176.870 -0.034 0.000 1.120 65 L CA 2.107 56.913 54.840 -0.057 0.000 0.799 65 L CB -0.329 41.694 42.059 -0.060 0.000 0.925 65 L HN -0.740 7.244 8.230 -0.198 0.127 0.446 66 E N -1.134 119.037 120.200 -0.049 0.000 2.042 66 E HA -0.129 4.208 4.350 -0.021 0.000 0.189 66 E C 0.963 177.557 176.600 -0.010 0.000 0.974 66 E CA 1.267 57.649 56.400 -0.029 0.000 0.806 66 E CB 0.576 30.253 29.700 -0.039 0.000 0.769 66 E HN -0.353 7.783 8.360 -0.078 0.177 0.451 67 L N -2.004 119.214 121.223 -0.008 0.000 2.444 67 L HA 0.029 4.377 4.340 0.013 0.000 0.251 67 L C -0.529 176.361 176.870 0.033 0.000 1.247 67 L CA 0.688 55.538 54.840 0.016 0.000 0.825 67 L CB 0.274 42.350 42.059 0.028 0.000 1.129 67 L HN -0.242 7.973 8.230 -0.025 0.000 0.527 68 T N -1.740 112.841 114.554 0.044 0.000 2.787 68 T HA 0.113 4.500 4.350 0.062 0.000 0.297 68 T C -0.206 174.529 174.700 0.058 0.000 1.221 68 T CA -0.894 61.237 62.100 0.052 0.000 1.006 68 T CB 2.266 71.156 68.868 0.037 0.000 1.328 68 T HN -0.290 7.975 8.240 0.041 0.000 0.509 69 G N 1.986 110.821 108.800 0.057 0.000 2.248 69 G HA2 -0.252 3.733 3.960 0.041 0.000 0.252 69 G HA3 -0.252 3.733 3.960 0.040 0.000 0.252 69 G C -1.059 173.877 174.900 0.060 0.000 1.085 69 G CA 0.079 45.208 45.100 0.049 0.000 0.845 69 G HN 0.323 8.647 8.290 0.057 0.000 0.494 70 L N -0.186 121.088 121.223 0.085 0.000 2.257 70 L HA 0.189 4.578 4.340 0.081 0.000 0.290 70 L C -1.196 175.706 176.870 0.053 0.000 1.044 70 L CA -0.536 54.364 54.840 0.100 0.000 0.810 70 L CB 0.146 42.333 42.059 0.213 0.000 1.193 70 L HN -0.072 8.211 8.230 0.089 0.000 0.425 71 K N 2.457 122.857 120.400 -0.001 0.000 2.551 71 K HA 0.280 4.731 4.320 0.010 -0.125 0.269 71 K C -2.020 174.537 176.600 -0.071 0.000 0.949 71 K CA -1.902 54.377 56.287 -0.014 0.000 0.849 71 K CB 3.153 35.652 32.500 -0.002 0.000 1.411 71 K HN -0.151 8.085 8.250 -0.023 0.000 0.432 72 V N -4.598 115.287 119.914 -0.049 0.000 2.932 72 V HA 0.446 4.436 4.120 -0.216 0.000 0.307 72 V C -1.305 174.808 176.094 0.033 0.000 1.147 72 V CA -1.138 61.093 62.300 -0.115 0.000 0.951 72 V CB 2.917 34.666 31.823 -0.123 0.000 1.031 72 V HN 0.564 8.756 8.190 0.004 0.000 0.426 73 F N 1.837 121.746 119.950 -0.068 0.000 3.069 73 F HA -0.370 4.122 4.527 -0.060 0.000 0.285 73 F C 0.541 176.304 175.800 -0.063 0.000 0.827 73 F CA 0.677 58.638 58.000 -0.065 0.000 1.108 73 F CB -1.454 37.503 39.000 -0.073 0.000 1.252 73 F HN 0.537 8.545 8.300 -0.487 0.000 0.483 74 G N -4.306 104.525 108.800 0.053 0.000 2.490 74 G HA2 -0.419 3.543 3.960 0.003 0.000 0.214 74 G HA3 -0.419 3.560 3.960 0.031 0.000 0.214 74 G C -0.899 174.013 174.900 0.021 0.000 1.151 74 G CA -0.046 45.069 45.100 0.026 0.000 0.684 74 G HN -0.169 8.070 8.290 -0.006 0.048 0.518 75 N N 2.347 121.069 118.700 0.037 0.000 2.444 75 N HA -0.027 4.721 4.740 0.013 0.000 0.255 75 N C -1.644 173.886 175.510 0.035 0.000 1.255 75 N CA -0.463 52.602 53.050 0.026 0.000 0.933 75 N CB 0.817 39.314 38.487 0.018 0.000 1.143 75 N HN -0.359 7.980 8.380 0.069 0.082 0.453 76 E N 0.188 120.411 120.200 0.039 0.000 2.081 76 E HA 0.124 4.582 4.350 0.039 -0.084 0.276 76 E C -0.404 176.238 176.600 0.070 0.000 0.950 76 E CA -1.607 54.822 56.400 0.048 0.000 0.776 76 E CB 1.213 30.941 29.700 0.046 0.000 1.094 76 E HN 0.156 8.538 8.360 0.037 0.000 0.402 77 I N 1.237 121.852 120.570 0.076 0.000 2.938 77 I HA -0.008 4.469 4.170 0.103 -0.246 0.285 77 I C -0.148 176.045 176.117 0.127 0.000 1.182 77 I CA -0.462 60.900 61.300 0.103 0.000 1.388 77 I CB 0.602 38.664 38.000 0.104 0.000 1.390 77 I HN -0.065 8.180 8.210 0.058 0.000 0.600 78 K N 3.178 123.663 120.400 0.142 0.000 2.376 78 K HA 0.266 4.670 4.320 0.140 0.000 0.257 78 K C -1.786 174.921 176.600 0.179 0.000 0.939 78 K CA -1.985 54.394 56.287 0.153 0.000 0.809 78 K CB 1.883 34.476 32.500 0.155 0.000 1.121 78 K HN 0.551 8.762 8.250 0.138 0.122 0.425 79 L N 4.634 125.960 121.223 0.172 0.000 2.307 79 L HA 0.180 4.637 4.340 0.196 0.000 0.282 79 L C -0.172 176.803 176.870 0.177 0.000 1.051 79 L CA -0.649 54.296 54.840 0.176 0.000 0.804 79 L CB 0.941 43.081 42.059 0.135 0.000 1.197 79 L HN 0.415 8.736 8.230 0.151 0.000 0.431 80 E N 0.676 121.013 120.200 0.229 0.000 2.445 80 E HA 0.258 4.688 4.350 0.133 0.000 0.279 80 E C -2.212 174.514 176.600 0.209 0.000 1.018 80 E CA -2.508 54.013 56.400 0.201 0.000 0.816 80 E CB 4.931 34.757 29.700 0.209 0.000 1.356 80 E HN 0.781 9.211 8.360 0.260 0.086 0.462 81 K N 1.121 121.598 120.400 0.129 0.000 2.206 81 K HA 0.442 4.874 4.320 0.187 0.000 0.264 81 K C -1.589 175.072 176.600 0.102 0.000 0.967 81 K CA -3.878 52.489 56.287 0.132 0.000 0.844 81 K CB 0.549 33.099 32.500 0.083 0.000 1.099 81 K HN 0.380 8.681 8.250 0.084 0.000 0.441 82 P HA 0.024 4.479 4.420 0.059 0.000 0.288 82 P C -1.168 176.176 177.300 0.072 0.000 1.291 82 P CA -0.681 62.508 63.100 0.149 0.000 0.766 82 P CB 0.764 32.646 31.700 0.303 0.000 1.242 83 K N -0.773 119.661 120.400 0.057 0.000 2.237 83 K HA -0.095 4.256 4.320 0.051 0.000 0.270 83 K C 0.142 176.780 176.600 0.064 0.000 1.015 83 K CA 0.695 57.013 56.287 0.052 0.000 0.949 83 K CB -0.087 32.437 32.500 0.040 0.000 0.976 83 K HN 0.230 8.520 8.250 0.066 0.000 0.472 84 G N 2.765 111.605 108.800 0.066 0.000 3.166 84 G HA2 0.270 4.257 3.960 0.045 0.000 0.267 84 G HA3 0.270 4.257 3.960 0.044 0.000 0.267 84 G C -1.814 173.116 174.900 0.050 0.000 1.256 84 G CA -0.164 44.966 45.100 0.051 0.000 0.859 84 G HN 0.059 8.395 8.290 0.076 0.000 0.590 85 K N -0.694 119.725 120.400 0.031 0.000 2.565 85 K HA 0.341 4.675 4.320 0.024 0.000 0.251 85 K C -2.520 174.086 176.600 0.009 0.000 0.956 85 K CA -0.436 55.864 56.287 0.021 0.000 0.809 85 K CB 3.515 36.026 32.500 0.019 0.000 1.267 85 K HN 0.365 8.631 8.250 0.025 0.000 0.438 86 D N 1.961 122.362 120.400 0.001 0.000 2.720 86 D HA -0.016 4.621 4.640 -0.004 0.000 0.239 86 D C -0.327 175.966 176.300 -0.013 0.000 1.218 86 D CA -0.362 53.635 54.000 -0.004 0.000 0.748 86 D CB 1.999 42.799 40.800 0.000 0.000 1.387 86 D HN -0.108 8.260 8.370 -0.002 0.000 0.438 87 S N 1.288 116.980 115.700 -0.014 0.000 2.440 87 S HA -0.252 4.204 4.470 -0.024 0.000 0.238 87 S C 1.340 175.928 174.600 -0.021 0.000 1.010 87 S CA 2.451 60.640 58.200 -0.019 0.000 0.972 87 S CB -0.103 63.088 63.200 -0.015 0.000 0.774 87 S HN 0.322 8.626 8.310 -0.010 0.000 0.501 88 K N -0.387 120.004 120.400 -0.016 0.000 2.283 88 K HA -0.270 4.040 4.320 -0.018 0.000 0.202 88 K C 1.243 177.830 176.600 -0.021 0.000 1.048 88 K CA 2.294 58.571 56.287 -0.016 0.000 0.948 88 K CB -0.572 31.921 32.500 -0.011 0.000 0.742 88 K HN 0.172 8.528 8.250 -0.012 -0.113 0.458 89 K N -2.074 118.311 120.400 -0.024 0.000 2.360 89 K HA -0.305 4.002 4.320 -0.022 0.000 0.201 89 K C 1.517 178.085 176.600 -0.053 0.000 1.046 89 K CA 2.812 59.079 56.287 -0.033 0.000 0.945 89 K CB -0.779 31.698 32.500 -0.038 0.000 0.750 89 K HN 0.189 8.248 8.250 -0.021 0.178 0.464 90 E N -0.936 119.235 120.200 -0.049 0.000 2.021 90 E HA -0.387 4.024 4.350 -0.069 -0.103 0.200 90 E C 0.817 177.387 176.600 -0.050 0.000 1.015 90 E CA 2.892 59.259 56.400 -0.054 0.000 0.824 90 E CB -0.097 29.578 29.700 -0.041 0.000 0.762 90 E HN -0.440 7.727 8.360 -0.040 0.170 0.454 91 R N -5.277 115.201 120.500 -0.038 0.000 2.140 91 R HA -0.055 4.265 4.340 -0.034 0.000 0.213 91 R C 2.339 178.619 176.300 -0.032 0.000 1.059 91 R CA 1.831 57.912 56.100 -0.033 0.000 1.000 91 R CB -0.121 30.164 30.300 -0.025 0.000 0.910 91 R HN -0.718 7.532 8.270 -0.033 0.000 0.455 92 D N 0.701 121.083 120.400 -0.030 0.000 2.309 92 D HA -0.175 4.450 4.640 -0.025 0.000 0.212 92 D C 0.890 177.178 176.300 -0.021 0.000 0.968 92 D CA 3.206 57.192 54.000 -0.024 0.000 0.882 92 D CB -0.302 40.489 40.800 -0.015 0.000 0.918 92 D HN -0.248 8.104 8.370 -0.030 0.000 0.503 93 A N -1.802 120.994 122.820 -0.040 0.000 2.208 93 A HA -0.034 4.274 4.320 -0.021 0.000 0.209 93 A C 0.775 178.324 177.584 -0.059 0.000 1.161 93 A CA 0.810 52.814 52.037 -0.056 0.000 0.782 93 A CB -0.361 18.567 19.000 -0.121 0.000 0.816 93 A HN -0.368 7.692 8.150 -0.049 0.061 0.477 94 R N -1.147 119.327 120.500 -0.042 0.000 2.139 94 R HA -0.264 4.058 4.340 -0.030 0.000 0.243 94 R C -0.710 175.584 176.300 -0.010 0.000 1.145 94 R CA 2.056 58.141 56.100 -0.025 0.000 0.976 94 R CB 0.074 30.365 30.300 -0.014 0.000 0.866 94 R HN -0.226 7.832 8.270 -0.038 0.190 0.449 95 T N 0.344 114.889 114.554 -0.015 0.000 2.824 95 T HA 0.333 4.810 4.350 0.011 -0.120 0.280 95 T C -1.198 173.494 174.700 -0.013 0.000 0.995 95 T CA 1.214 63.313 62.100 -0.000 0.000 1.009 95 T CB 1.782 70.652 68.868 0.004 0.000 0.955 95 T HN -0.868 7.333 8.240 -0.017 0.029 0.452 96 L N 2.836 123.996 121.223 -0.105 0.000 2.358 96 L HA 0.296 4.584 4.340 -0.086 0.000 0.268 96 L C -2.400 174.470 176.870 0.001 0.000 1.032 96 L CA -1.029 53.668 54.840 -0.237 0.000 0.805 96 L CB 2.762 44.173 42.059 -1.079 0.000 1.253 96 L HN 0.771 8.942 8.230 -0.099 0.000 0.452 97 L N 0.052 121.345 121.223 0.117 0.000 2.354 97 L HA 0.658 5.079 4.340 -0.082 -0.131 0.269 97 L C -2.764 174.256 176.870 0.250 0.000 1.005 97 L CA -1.930 52.949 54.840 0.065 0.000 0.819 97 L CB 4.583 46.618 42.059 -0.039 0.000 1.311 97 L HN 0.823 9.032 8.230 0.136 0.102 0.423 98 A N 2.916 125.785 122.820 0.082 0.000 2.350 98 A HA 0.515 4.900 4.320 0.109 0.000 0.324 98 A C -1.866 175.727 177.584 0.014 0.000 1.118 98 A CA -1.600 50.489 52.037 0.087 0.000 0.783 98 A CB 2.703 21.757 19.000 0.090 0.000 1.236 98 A HN 0.588 8.577 8.150 -0.116 0.091 0.457 99 K N -0.577 119.860 120.400 0.062 0.000 2.439 99 K HA 0.446 4.747 4.320 -0.033 0.000 0.260 99 K C -0.309 176.300 176.600 0.014 0.000 1.032 99 K CA -1.435 54.873 56.287 0.034 0.000 0.882 99 K CB 4.335 36.879 32.500 0.073 0.000 1.420 99 K HN -0.401 7.885 8.250 0.061 0.000 0.455 100 N N -2.692 115.993 118.700 -0.024 0.000 2.780 100 N HA -0.375 4.325 4.740 -0.068 0.000 0.248 100 N C -1.958 173.508 175.510 -0.073 0.000 1.102 100 N CA 0.541 53.563 53.050 -0.047 0.000 0.697 100 N CB -0.475 38.002 38.487 -0.016 0.000 1.028 100 N HN 0.429 8.780 8.380 -0.047 0.000 0.554 101 L N -3.330 117.843 121.223 -0.084 0.000 2.331 101 L HA 0.459 4.754 4.340 -0.075 0.000 0.275 101 L C -1.390 175.393 176.870 -0.145 0.000 1.022 101 L CA -3.074 51.717 54.840 -0.082 0.000 0.812 101 L CB 0.619 42.656 42.059 -0.037 0.000 1.257 101 L HN -0.593 7.588 8.230 -0.081 0.000 0.435 102 P HA 0.051 4.276 4.420 -0.325 0.000 0.272 102 P C -0.301 176.934 177.300 -0.108 0.000 1.240 102 P CA -0.938 62.050 63.100 -0.186 0.000 0.791 102 P CB 0.853 32.498 31.700 -0.092 0.000 0.978 103 Y N -1.776 118.523 120.300 -0.001 0.000 2.616 103 Y HA -0.133 4.424 4.550 0.012 0.000 0.296 103 Y C 1.294 177.202 175.900 0.012 0.000 1.154 103 Y CA 0.983 59.089 58.100 0.009 0.000 1.325 103 Y CB -0.665 37.802 38.460 0.013 0.000 1.007 103 Y HN 0.456 8.613 8.280 -0.205 0.000 0.542 104 K N -6.672 113.805 120.400 0.128 0.000 2.374 104 K HA 0.170 4.544 4.320 0.091 0.000 0.202 104 K C -0.472 176.159 176.600 0.051 0.000 1.040 104 K CA -0.635 55.701 56.287 0.081 0.000 1.085 104 K CB 0.303 32.838 32.500 0.058 0.000 0.873 104 K HN -0.162 8.055 8.250 0.077 0.080 0.539 105 V N 3.327 123.266 119.914 0.042 0.000 3.178 105 V HA -0.202 3.925 4.120 0.011 0.000 0.306 105 V C -0.955 175.163 176.094 0.040 0.000 1.107 105 V CA 1.299 63.615 62.300 0.026 0.000 1.195 105 V CB 0.439 32.271 31.823 0.016 0.000 0.993 105 V HN -0.620 7.418 8.190 0.045 0.179 0.493 106 T N 5.345 119.919 114.554 0.033 0.000 2.838 106 T HA 0.258 4.639 4.350 0.052 0.000 0.292 106 T C 0.027 174.759 174.700 0.054 0.000 1.113 106 T CA -1.591 60.534 62.100 0.042 0.000 1.008 106 T CB 1.884 70.769 68.868 0.028 0.000 1.259 106 T HN -0.395 7.856 8.240 0.020 0.000 0.520 107 Q N 0.520 120.360 119.800 0.067 0.000 2.002 107 Q HA -0.355 4.072 4.340 0.145 0.000 0.204 107 Q C 2.023 178.062 176.000 0.065 0.000 0.988 107 Q CA 4.142 60.005 55.803 0.099 0.000 0.843 107 Q CB 0.003 28.797 28.738 0.094 0.000 0.908 107 Q HN 0.413 8.718 8.270 0.059 0.000 0.420 108 D N -1.799 118.616 120.400 0.024 0.000 2.158 108 D HA -0.289 4.337 4.640 -0.023 0.000 0.197 108 D C 2.057 178.314 176.300 -0.072 0.000 0.995 108 D CA 3.299 57.286 54.000 -0.021 0.000 0.846 108 D CB -0.323 40.468 40.800 -0.015 0.000 0.941 108 D HN 0.132 8.520 8.370 0.030 0.000 0.456 109 E N -1.555 118.616 120.200 -0.049 0.000 2.021 109 E HA -0.278 4.026 4.350 -0.077 0.000 0.200 109 E C 2.798 179.310 176.600 -0.148 0.000 1.015 109 E CA 2.489 58.845 56.400 -0.073 0.000 0.824 109 E CB -0.514 29.165 29.700 -0.035 0.000 0.762 109 E HN 0.041 8.297 8.360 -0.016 0.095 0.454 110 L N -2.245 118.905 121.223 -0.122 0.000 2.191 110 L HA -0.290 3.926 4.340 -0.208 0.000 0.212 110 L C 2.100 178.373 176.870 -0.996 0.000 1.103 110 L CA 3.349 58.046 54.840 -0.239 0.000 0.769 110 L CB -0.428 41.758 42.059 0.211 0.000 0.908 110 L HN -0.572 7.643 8.230 -0.024 0.000 0.438 111 K N -0.571 119.380 120.400 -0.749 0.000 2.442 111 K HA -0.365 2.902 4.320 -1.755 0.000 0.198 111 K C 1.325 177.579 176.600 -0.577 0.000 1.042 111 K CA 2.497 58.274 56.287 -0.851 0.000 0.958 111 K CB -0.611 31.764 32.500 -0.209 0.000 0.766 111 K HN 0.025 7.963 8.250 -0.310 0.127 0.474 112 E N -3.359 116.588 120.200 -0.422 0.000 2.333 112 E HA -0.274 3.967 4.350 -0.182 0.000 0.198 112 E C 0.827 177.285 176.600 -0.236 0.000 1.007 112 E CA 2.020 58.270 56.400 -0.249 0.000 0.845 112 E CB 0.123 29.716 29.700 -0.178 0.000 0.766 112 E HN -0.406 7.515 8.360 -0.408 0.195 0.507 113 V N -7.964 111.731 119.914 -0.365 0.000 2.806 113 V HA 0.090 4.150 4.120 -0.100 0.000 0.239 113 V C 0.255 176.335 176.094 -0.023 0.000 1.113 113 V CA 1.244 63.436 62.300 -0.179 0.000 1.137 113 V CB 1.475 33.213 31.823 -0.142 0.000 0.865 113 V HN -0.506 7.248 8.190 -0.633 0.056 0.482 114 F N -4.086 115.954 119.950 0.150 0.000 2.925 114 F HA 0.576 5.284 4.527 0.301 0.000 0.302 114 F C 0.552 176.403 175.800 0.085 0.000 1.189 114 F CA -3.677 54.474 58.000 0.253 0.000 1.346 114 F CB -1.955 37.359 39.000 0.524 0.000 0.954 114 F HN -0.755 6.920 8.300 -1.042 0.000 0.506 115 E N 2.817 123.031 120.200 0.023 0.000 2.209 115 E HA -0.343 4.000 4.350 -0.009 0.002 0.196 115 E C -0.319 176.315 176.600 0.057 0.000 0.993 115 E CA 2.876 59.282 56.400 0.009 0.000 0.819 115 E CB -0.592 29.087 29.700 -0.035 0.000 0.745 115 E HN -0.210 8.040 8.360 -0.044 0.083 0.477 116 D N -3.442 117.014 120.400 0.093 0.000 2.347 116 D HA -0.065 4.598 4.640 0.039 0.000 0.215 116 D C -0.216 176.078 176.300 -0.010 0.000 0.976 116 D CA 0.580 54.621 54.000 0.068 0.000 0.884 116 D CB -0.128 40.741 40.800 0.115 0.000 0.915 116 D HN 0.100 8.520 8.370 0.138 0.032 0.526 117 A N 0.026 122.778 122.820 -0.115 0.000 2.504 117 A HA -0.205 3.440 4.320 -1.126 0.000 0.242 117 A C 0.084 177.438 177.584 -0.383 0.000 1.100 117 A CA 0.483 52.109 52.037 -0.685 0.000 0.786 117 A CB 0.687 19.130 19.000 -0.929 0.000 1.050 117 A HN -0.326 7.652 8.150 0.064 0.210 0.512 118 A N -0.165 122.384 122.820 -0.452 0.000 1.835 118 A HA -0.091 4.150 4.320 -0.132 0.000 0.213 118 A C 0.076 177.572 177.584 -0.146 0.000 1.210 118 A CA 1.475 53.390 52.037 -0.203 0.000 0.605 118 A CB 0.835 19.749 19.000 -0.143 0.000 0.860 118 A HN 0.284 7.984 8.150 -0.750 0.000 0.447 119 E N -3.649 116.451 120.200 -0.167 0.000 2.393 119 E HA 0.267 4.587 4.350 -0.051 0.000 0.273 119 E C -2.055 174.498 176.600 -0.079 0.000 0.918 119 E CA -1.350 55.000 56.400 -0.084 0.000 0.773 119 E CB 2.849 32.518 29.700 -0.053 0.000 1.275 119 E HN -0.413 7.802 8.360 -0.241 0.000 0.451 120 I N -0.573 119.999 120.570 0.003 0.000 2.545 120 I HA 0.168 4.338 4.170 0.001 0.000 0.292 120 I C -0.614 175.545 176.117 0.070 0.000 1.040 120 I CA -0.803 60.531 61.300 0.057 0.000 1.068 120 I CB 2.659 40.773 38.000 0.190 0.000 1.251 120 I HN 0.211 8.431 8.210 0.016 0.000 0.424 121 R N 5.011 125.565 120.500 0.091 0.000 2.539 121 R HA 0.360 4.752 4.340 0.087 0.000 0.295 121 R C -2.397 173.986 176.300 0.137 0.000 1.138 121 R CA -1.782 54.381 56.100 0.105 0.000 0.936 121 R CB 1.927 32.285 30.300 0.097 0.000 1.182 121 R HN 0.479 8.804 8.270 0.091 0.000 0.459 122 L N 2.118 123.412 121.223 0.118 0.000 2.421 122 L HA 0.110 4.519 4.340 0.116 0.000 0.263 122 L C -0.225 176.711 176.870 0.110 0.000 1.122 122 L CA -0.826 54.082 54.840 0.113 0.000 0.804 122 L CB 1.414 43.532 42.059 0.099 0.000 1.150 122 L HN 0.350 8.642 8.230 0.103 0.000 0.457 123 V N 2.647 122.621 119.914 0.101 0.000 2.304 123 V HA 0.188 4.372 4.120 0.108 0.000 0.278 123 V C -2.055 174.093 176.094 0.090 0.000 1.018 123 V CA -0.368 61.994 62.300 0.103 0.000 0.814 123 V CB 0.555 32.447 31.823 0.115 0.000 1.021 123 V HN -0.030 8.211 8.190 0.086 0.000 0.440 124 S N 6.307 122.055 115.700 0.081 0.000 2.541 124 S HA 0.438 5.022 4.470 0.083 -0.064 0.280 124 S C -1.202 173.432 174.600 0.058 0.000 1.112 124 S CA -0.996 57.248 58.200 0.073 0.000 0.925 124 S CB 2.359 65.600 63.200 0.070 0.000 1.067 124 S HN 0.076 8.432 8.310 0.077 0.000 0.479 125 K N 3.125 123.554 120.400 0.047 0.000 2.426 125 K HA 0.273 4.615 4.320 0.036 0.000 0.251 125 K C -0.424 176.187 176.600 0.018 0.000 0.941 125 K CA -0.619 55.689 56.287 0.034 0.000 0.808 125 K CB 2.383 34.905 32.500 0.037 0.000 1.265 125 K HN 0.547 8.825 8.250 0.048 0.000 0.432 126 D N 2.307 122.716 120.400 0.016 0.000 3.077 126 D HA -0.277 4.369 4.640 0.009 0.000 0.217 126 D C -0.155 176.150 176.300 0.008 0.000 1.162 126 D CA 1.062 55.067 54.000 0.008 0.000 0.943 126 D CB -0.372 40.425 40.800 -0.004 0.000 1.122 126 D HN 0.836 9.218 8.370 0.020 0.000 0.413 127 G N -3.957 104.853 108.800 0.017 0.000 2.165 127 G HA2 -0.352 3.624 3.960 0.026 0.000 0.226 127 G HA3 -0.352 3.619 3.960 0.018 0.000 0.226 127 G C -1.514 173.401 174.900 0.025 0.000 1.035 127 G CA 0.325 45.437 45.100 0.021 0.000 0.744 127 G HN 0.359 8.599 8.290 0.022 0.063 0.501 128 K N -3.672 116.745 120.400 0.029 0.000 2.562 128 K HA 0.273 4.630 4.320 0.061 0.000 0.267 128 K C -1.807 174.838 176.600 0.075 0.000 0.938 128 K CA -1.707 54.606 56.287 0.043 0.000 0.840 128 K CB 2.942 35.438 32.500 -0.007 0.000 1.390 128 K HN -0.799 7.370 8.250 0.028 0.098 0.428 129 S N 2.289 118.073 115.700 0.140 0.000 2.580 129 S HA -0.161 4.383 4.470 0.124 0.000 0.266 129 S C 0.399 175.150 174.600 0.253 0.000 1.354 129 S CA 1.680 59.986 58.200 0.177 0.000 1.008 129 S CB 0.547 63.852 63.200 0.175 0.000 0.898 129 S HN 0.457 8.770 8.310 0.154 0.089 0.555 130 K N 2.051 122.574 120.400 0.204 0.000 2.373 130 K HA 0.188 4.666 4.320 0.264 0.000 0.200 130 K C 0.035 176.765 176.600 0.215 0.000 1.054 130 K CA -1.087 55.332 56.287 0.220 0.000 1.065 130 K CB 1.594 34.173 32.500 0.131 0.000 0.886 130 K HN -0.168 8.170 8.250 0.147 0.000 0.546 131 G N -0.029 108.847 108.800 0.126 0.000 2.226 131 G HA2 -0.278 3.841 3.960 -0.038 0.000 0.176 131 G HA3 -0.278 3.685 3.960 0.005 0.000 0.176 131 G C -2.034 172.850 174.900 -0.027 0.000 1.042 131 G CA 0.058 45.165 45.100 0.012 0.000 0.732 131 G HN -0.172 8.196 8.290 0.129 0.000 0.494 132 I N -8.179 112.379 120.570 -0.020 0.000 3.149 132 I HA 0.958 5.283 4.170 -0.105 -0.217 0.310 132 I C -2.728 173.348 176.117 -0.068 0.000 1.343 132 I CA -2.124 59.122 61.300 -0.089 0.000 0.955 132 I CB 4.403 42.314 38.000 -0.148 0.000 1.309 132 I HN -0.905 7.316 8.210 0.018 0.000 0.478 133 A N -1.634 121.098 122.820 -0.147 0.000 2.500 133 A HA 0.323 4.651 4.320 0.014 0.000 0.288 133 A C -2.520 174.999 177.584 -0.109 0.000 1.045 133 A CA 0.298 52.310 52.037 -0.042 0.000 0.830 133 A CB 2.869 21.919 19.000 0.083 0.000 1.337 133 A HN -0.080 7.910 8.150 -0.267 0.000 0.400 134 Y N 3.723 124.058 120.300 0.058 0.000 2.320 134 Y HA 0.493 5.209 4.550 0.027 -0.149 0.334 134 Y C -1.058 174.826 175.900 -0.026 0.000 1.055 134 Y CA -1.221 56.890 58.100 0.020 0.000 1.143 134 Y CB 2.454 40.919 38.460 0.009 0.000 1.193 134 Y HN 0.289 8.665 8.280 0.160 0.000 0.477 135 I N -2.890 117.733 120.570 0.087 0.000 2.533 135 I HA 0.483 4.691 4.170 -0.058 -0.073 0.290 135 I C -1.992 174.094 176.117 -0.052 0.000 1.056 135 I CA -2.115 59.133 61.300 -0.085 0.000 1.057 135 I CB 2.862 40.633 38.000 -0.382 0.000 1.240 135 I HN 0.677 8.961 8.210 0.124 0.000 0.423 136 E N 4.979 125.136 120.200 -0.072 0.000 2.035 136 E HA 0.300 4.654 4.350 0.007 0.000 0.271 136 E C -1.200 175.358 176.600 -0.070 0.000 0.953 136 E CA -1.514 54.865 56.400 -0.036 0.000 0.777 136 E CB 1.690 31.368 29.700 -0.036 0.000 1.104 136 E HN -0.141 8.163 8.360 -0.094 0.000 0.408 137 F N 4.990 124.861 119.950 -0.132 0.000 2.368 137 F HA -0.097 4.384 4.527 -0.077 0.000 0.308 137 F C 1.136 176.899 175.800 -0.062 0.000 1.198 137 F CA 0.994 58.934 58.000 -0.100 0.000 1.130 137 F CB 1.295 40.215 39.000 -0.133 0.000 1.300 137 F HN -0.306 8.130 8.300 0.226 0.000 0.537 138 K N -1.473 119.026 120.400 0.166 0.000 2.155 138 K HA -0.179 4.165 4.320 0.040 0.000 0.203 138 K C -0.145 176.502 176.600 0.078 0.000 1.052 138 K CA 2.702 59.039 56.287 0.084 0.000 0.948 138 K CB 0.478 33.021 32.500 0.072 0.000 0.728 138 K HN 0.567 8.965 8.250 0.247 0.000 0.448 139 T N -4.883 109.733 114.554 0.104 0.000 3.012 139 T HA 0.069 4.431 4.350 0.020 0.000 0.330 139 T C -1.096 173.598 174.700 -0.010 0.000 1.321 139 T CA -1.126 60.995 62.100 0.035 0.000 1.067 139 T CB 1.331 70.211 68.868 0.021 0.000 1.235 139 T HN -0.973 7.379 8.240 0.187 0.000 0.479 140 E N 7.775 127.946 120.200 -0.049 0.000 2.219 140 E HA -0.390 3.878 4.350 -0.137 0.000 0.198 140 E C 0.447 176.968 176.600 -0.132 0.000 0.998 140 E CA 3.280 59.615 56.400 -0.108 0.000 0.818 140 E CB 0.063 29.701 29.700 -0.104 0.000 0.741 140 E HN 0.766 9.105 8.360 -0.036 0.000 0.477 141 A N -2.350 120.418 122.820 -0.086 0.000 1.929 141 A HA -0.082 4.425 4.320 -0.088 -0.240 0.216 141 A C 1.285 178.818 177.584 -0.086 0.000 1.176 141 A CA 2.335 54.326 52.037 -0.077 0.000 0.628 141 A CB -0.225 18.750 19.000 -0.042 0.000 0.816 141 A HN -0.540 7.532 8.150 -0.058 0.043 0.444 142 D N -2.669 117.689 120.400 -0.070 0.000 2.305 142 D HA -0.125 4.498 4.640 -0.029 0.000 0.206 142 D C 0.984 177.080 176.300 -0.341 0.000 0.974 142 D CA 2.077 56.047 54.000 -0.050 0.000 0.871 142 D CB 0.640 41.513 40.800 0.121 0.000 0.947 142 D HN -0.424 7.815 8.370 -0.040 0.108 0.516 143 A N -0.582 121.895 122.820 -0.572 0.000 1.844 143 A HA -0.020 2.601 4.320 -2.831 0.000 0.212 143 A C 1.338 178.501 177.584 -0.702 0.000 1.221 143 A CA 3.136 54.400 52.037 -1.288 0.000 0.607 143 A CB -0.210 18.275 19.000 -0.860 0.000 0.878 143 A HN 0.122 7.951 8.150 -0.312 0.134 0.451 144 E N -2.079 117.904 120.200 -0.361 0.000 2.331 144 E HA -0.328 3.989 4.350 -0.055 0.000 0.199 144 E C 1.855 178.408 176.600 -0.078 0.000 1.008 144 E CA 2.797 59.108 56.400 -0.148 0.000 0.843 144 E CB -0.416 29.191 29.700 -0.155 0.000 0.761 144 E HN -0.058 8.002 8.360 -0.327 0.104 0.507 145 K N -2.374 117.950 120.400 -0.127 0.000 2.314 145 K HA -0.077 4.229 4.320 -0.023 0.000 0.198 145 K C 1.270 177.857 176.600 -0.021 0.000 1.045 145 K CA 1.809 58.064 56.287 -0.054 0.000 0.988 145 K CB 0.008 32.479 32.500 -0.049 0.000 0.783 145 K HN -0.384 7.691 8.250 -0.204 0.052 0.484 146 T N 2.274 116.787 114.554 -0.070 0.000 2.939 146 T HA -0.130 4.279 4.350 0.097 0.000 0.254 146 T C 1.052 175.881 174.700 0.215 0.000 1.041 146 T CA 4.622 66.764 62.100 0.071 0.000 1.142 146 T CB 0.419 69.342 68.868 0.092 0.000 0.874 146 T HN -0.408 7.561 8.240 -0.232 0.131 0.452 147 F N -0.218 119.660 119.950 -0.120 0.000 2.407 147 F HA -0.190 4.341 4.527 0.006 0.000 0.299 147 F C 1.630 177.393 175.800 -0.062 0.000 1.097 147 F CA 1.865 59.828 58.000 -0.061 0.000 1.422 147 F CB -0.106 38.840 39.000 -0.090 0.000 1.067 147 F HN 0.308 8.686 8.300 0.130 0.000 0.539 148 E N -2.536 117.738 120.200 0.123 0.000 2.318 148 E HA -0.102 4.267 4.350 0.032 0.000 0.193 148 E C 0.942 177.553 176.600 0.020 0.000 0.998 148 E CA 2.207 58.641 56.400 0.056 0.000 0.859 148 E CB -0.571 29.169 29.700 0.068 0.000 0.812 148 E HN -0.269 8.126 8.360 0.122 0.038 0.492 149 E N -2.593 117.625 120.200 0.030 0.000 2.201 149 E HA -0.091 4.263 4.350 0.007 0.000 0.193 149 E C 1.009 177.612 176.600 0.005 0.000 0.957 149 E CA 1.184 57.594 56.400 0.017 0.000 0.858 149 E CB 0.912 30.630 29.700 0.029 0.000 0.816 149 E HN -0.535 7.717 8.360 0.054 0.140 0.475 150 K N -3.457 116.953 120.400 0.016 0.000 2.167 150 K HA -0.041 4.275 4.320 -0.008 0.000 0.203 150 K C 0.053 176.603 176.600 -0.082 0.000 1.052 150 K CA -0.336 55.944 56.287 -0.012 0.000 0.956 150 K CB 0.505 33.028 32.500 0.038 0.000 0.735 150 K HN 0.002 8.166 8.250 0.051 0.117 0.451 151 Q N 0.112 119.838 119.800 -0.123 0.000 2.398 151 Q HA -0.477 3.710 4.340 -0.256 0.000 0.329 151 Q C 0.814 176.737 176.000 -0.129 0.000 1.079 151 Q CA 1.846 57.539 55.803 -0.184 0.000 1.041 151 Q CB -0.461 28.158 28.738 -0.198 0.000 1.084 151 Q HN -0.719 7.497 8.270 -0.090 0.000 0.386 152 G N 5.971 114.690 108.800 -0.135 0.000 2.205 152 G HA2 -0.256 3.648 3.960 -0.092 0.000 0.180 152 G HA3 -0.256 3.657 3.960 -0.077 0.000 0.180 152 G C -0.520 174.331 174.900 -0.083 0.000 1.004 152 G CA -0.499 44.544 45.100 -0.095 0.000 0.670 152 G HN 0.310 8.499 8.290 -0.167 0.000 0.496 153 T N 1.119 115.615 114.554 -0.097 0.000 2.813 153 T HA -0.092 4.216 4.350 -0.071 0.000 0.297 153 T C -1.293 173.359 174.700 -0.080 0.000 1.036 153 T CA -0.260 61.788 62.100 -0.086 0.000 1.044 153 T CB 1.415 70.223 68.868 -0.101 0.000 0.993 153 T HN -0.570 7.598 8.240 -0.120 0.000 0.535 154 E N 2.489 122.647 120.200 -0.069 0.000 2.145 154 E HA 0.442 4.911 4.350 -0.062 -0.156 0.270 154 E C -0.952 175.610 176.600 -0.062 0.000 0.906 154 E CA -0.880 55.483 56.400 -0.061 0.000 0.761 154 E CB 1.495 31.166 29.700 -0.048 0.000 1.116 154 E HN 0.034 8.355 8.360 -0.066 0.000 0.408 155 I N 4.930 125.462 120.570 -0.062 0.000 2.499 155 I HA 0.199 4.335 4.170 -0.057 0.000 0.288 155 I C -0.795 175.292 176.117 -0.049 0.000 1.048 155 I CA -0.768 60.497 61.300 -0.058 0.000 1.062 155 I CB 3.317 41.278 38.000 -0.066 0.000 1.238 155 I HN 0.885 8.960 8.210 -0.062 0.098 0.426 156 D N 6.591 126.967 120.400 -0.041 0.000 3.041 156 D HA -0.308 4.316 4.640 -0.027 0.000 0.220 156 D C 0.022 176.301 176.300 -0.034 0.000 1.157 156 D CA 1.068 55.048 54.000 -0.034 0.000 0.876 156 D CB -0.247 40.532 40.800 -0.035 0.000 1.107 156 D HN 0.972 9.318 8.370 -0.040 0.000 0.422 157 G N -5.653 103.125 108.800 -0.036 0.000 2.284 157 G HA2 -0.393 3.549 3.960 -0.030 0.000 0.230 157 G HA3 -0.393 3.549 3.960 -0.030 0.000 0.230 157 G C -0.737 174.140 174.900 -0.038 0.000 1.021 157 G CA -0.113 44.968 45.100 -0.033 0.000 0.619 157 G HN 0.317 8.538 8.290 -0.038 0.046 0.510 158 R N 0.735 121.208 120.500 -0.045 0.000 2.608 158 R HA 0.333 4.647 4.340 -0.044 0.000 0.255 158 R C -1.565 174.703 176.300 -0.053 0.000 1.086 158 R CA -1.553 54.517 56.100 -0.049 0.000 1.125 158 R CB 1.621 31.885 30.300 -0.060 0.000 1.193 158 R HN -0.427 7.717 8.270 -0.047 0.097 0.553 159 S N 1.524 117.192 115.700 -0.053 0.000 2.520 159 S HA 0.408 5.009 4.470 -0.065 -0.170 0.324 159 S C -0.522 174.036 174.600 -0.069 0.000 1.069 159 S CA -0.946 57.217 58.200 -0.061 0.000 1.121 159 S CB 0.885 64.053 63.200 -0.053 0.000 0.971 159 S HN 0.177 8.457 8.310 -0.049 0.000 0.463 160 I N 1.126 121.646 120.570 -0.083 0.000 2.634 160 I HA -0.029 4.270 4.170 -0.072 -0.172 0.284 160 I C -0.427 175.610 176.117 -0.133 0.000 1.124 160 I CA 0.070 61.315 61.300 -0.092 0.000 1.417 160 I CB 0.677 38.622 38.000 -0.092 0.000 1.396 160 I HN 0.102 8.261 8.210 -0.085 0.000 0.571 161 S N 3.798 119.423 115.700 -0.126 0.000 2.694 161 S HA 0.299 4.604 4.470 -0.275 0.000 0.278 161 S C -0.854 173.487 174.600 -0.433 0.000 1.152 161 S CA -1.203 56.845 58.200 -0.252 0.000 1.010 161 S CB 1.391 64.539 63.200 -0.086 0.000 1.104 161 S HN 0.049 8.321 8.310 -0.063 0.000 0.547 162 L N -1.931 118.792 121.223 -0.833 0.000 2.526 162 L HA 0.138 4.223 4.340 -0.426 0.000 0.263 162 L C -1.485 174.852 176.870 -0.889 0.000 0.943 162 L CA -0.191 54.235 54.840 -0.691 0.000 0.859 162 L CB 2.674 44.305 42.059 -0.712 0.000 1.313 162 L HN -0.064 7.481 8.230 -1.140 0.000 0.406 163 Y N 0.507 120.852 120.300 0.075 0.000 2.655 163 Y HA 0.363 4.686 4.550 -0.378 0.000 0.336 163 Y C -2.510 173.342 175.900 -0.081 0.000 1.154 163 Y CA -1.784 56.209 58.100 -0.179 0.000 1.055 163 Y CB 4.199 42.511 38.460 -0.246 0.000 1.295 163 Y HN 0.743 9.167 8.280 0.240 0.000 0.465 164 Y N -4.372 116.056 120.300 0.213 0.000 2.429 164 Y HA 0.325 4.900 4.550 0.041 0.000 0.342 164 Y C -1.118 174.829 175.900 0.078 0.000 1.004 164 Y CA -2.274 55.874 58.100 0.080 0.000 1.075 164 Y CB 1.739 40.204 38.460 0.008 0.000 1.214 164 Y HN 0.018 7.719 8.280 -0.965 0.000 0.455 165 T N 2.388 117.092 114.554 0.251 0.000 3.579 165 T HA 0.170 4.632 4.350 0.187 0.000 0.360 165 T C -0.183 174.600 174.700 0.137 0.000 1.285 165 T CA -0.298 61.912 62.100 0.182 0.000 1.127 165 T CB 1.930 70.880 68.868 0.138 0.000 1.244 165 T HN -0.022 8.351 8.240 0.222 0.000 0.476 166 G N 4.044 112.892 108.800 0.080 0.000 3.192 166 G HA2 0.214 4.170 3.960 0.015 0.000 0.239 166 G HA3 0.214 4.383 3.960 0.014 -0.200 0.239 166 G C -0.684 174.219 174.900 0.005 0.000 1.084 166 G CA -0.419 44.697 45.100 0.027 0.000 0.784 166 G HN 0.231 8.571 8.290 0.083 0.000 0.540 167 E N -1.403 118.812 120.200 0.025 0.000 8.959 167 E HA -0.284 4.082 4.350 0.026 0.000 0.467 167 E C -2.688 173.916 176.600 0.007 0.000 1.281 167 E CA 0.212 56.620 56.400 0.013 0.000 2.226 167 E CB -0.427 29.267 29.700 -0.011 0.000 1.018 167 E HN -0.741 7.598 8.360 0.049 0.051 0.296 168 P HA 0.028 4.454 4.420 0.009 0.000 0.282 168 P C -0.461 176.837 177.300 -0.003 0.000 1.286 168 P CA -0.351 62.754 63.100 0.007 0.000 0.777 168 P CB 0.597 32.305 31.700 0.013 0.000 1.184 169 K N -2.143 118.255 120.400 -0.003 0.000 2.181 169 K HA -0.371 3.943 4.320 -0.011 0.000 0.239 169 K C 1.427 178.021 176.600 -0.011 0.000 1.073 169 K CA 1.632 57.914 56.287 -0.008 0.000 0.839 169 K CB -0.199 32.298 32.500 -0.006 0.000 1.116 169 K HN -0.053 8.197 8.250 0.001 0.000 0.518 170 G N -2.082 106.710 108.800 -0.013 0.000 2.241 170 G HA2 -0.304 3.648 3.960 -0.013 0.000 0.244 170 G HA3 -0.304 3.648 3.960 -0.013 0.000 0.244 170 G C 0.903 175.792 174.900 -0.018 0.000 0.998 170 G CA 0.413 45.504 45.100 -0.014 0.000 0.621 170 G HN 0.269 8.551 8.290 -0.013 0.000 0.519 171 E N 1.941 122.127 120.200 -0.023 0.000 2.058 171 E HA -0.255 4.075 4.350 -0.033 0.000 0.194 171 E C 0.861 177.444 176.600 -0.029 0.000 0.997 171 E CA 2.038 58.419 56.400 -0.032 0.000 0.801 171 E CB -0.189 29.486 29.700 -0.041 0.000 0.746 171 E HN 0.241 8.493 8.360 -0.022 0.095 0.450 172 G N -1.149 107.637 108.800 -0.024 0.000 2.781 172 G HA2 0.061 4.008 3.960 -0.022 0.000 0.208 172 G HA3 0.061 4.008 3.960 -0.021 0.000 0.208 172 G C 0.806 175.696 174.900 -0.017 0.000 1.099 172 G CA -0.073 45.015 45.100 -0.021 0.000 0.776 172 G HN -0.105 8.172 8.290 -0.023 0.000 0.532 173 L N -0.181 121.033 121.223 -0.015 0.000 1.994 173 L HA -0.078 4.255 4.340 -0.012 0.000 0.208 173 L C 0.718 177.581 176.870 -0.012 0.000 1.071 173 L CA 1.422 56.255 54.840 -0.013 0.000 0.745 173 L CB -0.052 42.001 42.059 -0.011 0.000 0.892 173 L HN -0.137 8.083 8.230 -0.016 0.000 0.431 174 E N 0.000 120.193 120.200 -0.012 0.000 2.725 174 E HA 0.000 4.344 4.350 -0.010 0.000 0.291 174 E CA 0.000 56.393 56.400 -0.011 0.000 0.976 174 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 174 E HN 0.000 8.352 8.360 -0.014 0.000 0.440