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 2yud_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGVRA VRKDQTSKLK YVLQDARFFL IKSNNHENVS LAKAKGVWST DATA SEQUENCE LPVNEKKLNL AFRSARSVIL IFSVRESGKF QGFARLSSES HHGGSPIHWV DATA SEQUENCE LPAGMSAKML GGVFKIDWIC RRELPFTKSA HLTNPWNEHK PVKIGRDGQE DATA SEQUENCE IELECGTQLC LLFPPDESID LYQVIHKMRH 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 3.959 3.960 -0.001 0.000 0.244 1 G C 0.000 174.899 174.900 -0.001 0.000 0.946 1 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 2 S N -1.139 114.560 115.700 -0.001 0.000 2.615 2 S HA 0.156 4.626 4.470 -0.001 0.000 0.269 2 S C -0.402 174.197 174.600 -0.001 0.000 1.161 2 S CA -0.397 57.803 58.200 -0.001 0.000 0.817 2 S CB 2.090 65.290 63.200 -0.000 0.000 1.131 2 S HN -0.030 8.279 8.310 -0.001 0.000 0.467 3 S N 1.022 116.722 115.700 -0.001 0.000 3.628 3 S HA -0.087 4.383 4.470 -0.000 0.000 0.373 3 S C 0.006 174.605 174.600 -0.001 0.000 0.968 3 S CA 0.279 58.479 58.200 -0.000 0.000 1.215 3 S CB -0.124 63.077 63.200 0.000 0.000 0.912 3 S HN 0.328 8.637 8.310 -0.001 0.000 0.495 4 G N -0.394 108.405 108.800 -0.002 0.000 3.820 4 G HA2 0.061 4.020 3.960 -0.002 0.000 0.293 4 G HA3 0.061 4.020 3.960 -0.003 0.000 0.293 4 G C -0.476 174.423 174.900 -0.002 0.000 1.152 4 G CA -0.723 44.376 45.100 -0.002 0.000 0.921 4 G HN 0.008 8.297 8.290 -0.002 0.000 0.544 5 S N 1.382 117.081 115.700 -0.002 0.000 2.405 5 S HA 0.111 4.579 4.470 -0.002 0.000 0.291 5 S C -0.441 174.158 174.600 -0.002 0.000 1.137 5 S CA 0.686 58.885 58.200 -0.002 0.000 1.061 5 S CB -0.348 62.851 63.200 -0.001 0.000 1.001 5 S HN -0.283 7.949 8.310 -0.001 0.077 0.507 6 S N 5.044 120.743 115.700 -0.002 0.000 2.575 6 S HA 0.153 4.622 4.470 -0.002 0.000 0.278 6 S C -0.107 174.491 174.600 -0.002 0.000 1.139 6 S CA 0.078 58.277 58.200 -0.002 0.000 0.954 6 S CB 1.313 64.511 63.200 -0.003 0.000 1.054 6 S HN 0.040 8.348 8.310 -0.003 0.000 0.483 7 G N 4.417 113.216 108.800 -0.002 0.000 2.530 7 G HA2 0.119 4.077 3.960 -0.002 0.000 0.313 7 G HA3 0.119 4.078 3.960 -0.001 0.000 0.313 7 G C -0.251 174.648 174.900 -0.002 0.000 0.971 7 G CA -0.604 44.495 45.100 -0.002 0.000 1.237 7 G HN 0.262 8.551 8.290 -0.001 0.000 0.446 8 V N 2.761 122.673 119.914 -0.003 0.000 2.720 8 V HA -0.080 4.037 4.120 -0.004 0.000 0.307 8 V C 0.318 176.411 176.094 -0.003 0.000 1.071 8 V CA 0.565 62.862 62.300 -0.004 0.000 1.199 8 V CB 0.945 32.765 31.823 -0.005 0.000 0.900 8 V HN -0.026 8.162 8.190 -0.003 0.000 0.494 9 R N 7.003 127.502 120.500 -0.002 0.000 2.257 9 R HA 0.158 4.498 4.340 -0.001 0.000 0.195 9 R C -0.997 175.303 176.300 -0.001 0.000 0.921 9 R CA 0.348 56.447 56.100 -0.001 0.000 1.069 9 R CB 0.665 30.965 30.300 0.000 0.000 1.115 9 R HN 0.587 8.855 8.270 -0.003 0.000 0.571 10 A N 0.960 123.778 122.820 -0.003 0.000 2.566 10 A HA 0.237 4.556 4.320 -0.002 0.000 0.297 10 A C -1.955 175.625 177.584 -0.005 0.000 1.059 10 A CA -0.407 51.628 52.037 -0.003 0.000 0.691 10 A CB 2.149 21.148 19.000 -0.001 0.000 1.282 10 A HN -0.236 7.912 8.150 -0.003 0.000 0.401 11 V N 0.600 120.511 119.914 -0.006 0.000 2.680 11 V HA 0.399 4.513 4.120 -0.011 0.000 0.309 11 V C -1.210 174.878 176.094 -0.009 0.000 1.052 11 V CA -0.915 61.380 62.300 -0.009 0.000 0.908 11 V CB 1.435 33.252 31.823 -0.009 0.000 1.001 11 V HN 0.144 8.331 8.190 -0.005 0.000 0.431 12 R N 5.224 125.717 120.500 -0.013 0.000 2.771 12 R HA 0.268 4.603 4.340 -0.009 0.000 0.274 12 R C -1.824 174.466 176.300 -0.018 0.000 0.987 12 R CA -0.905 55.188 56.100 -0.012 0.000 0.908 12 R CB 1.413 31.706 30.300 -0.011 0.000 1.213 12 R HN 0.062 8.323 8.270 -0.016 0.000 0.468 13 K N 0.092 120.482 120.400 -0.015 0.000 3.072 13 K HA 0.271 4.574 4.320 -0.028 0.000 0.216 13 K C -2.014 174.578 176.600 -0.014 0.000 1.253 13 K CA -0.518 55.758 56.287 -0.020 0.000 0.891 13 K CB 1.045 33.534 32.500 -0.019 0.000 1.224 13 K HN 0.416 8.660 8.250 -0.010 0.000 0.570 14 D N 1.174 121.567 120.400 -0.012 0.000 2.596 14 D HA 0.072 4.711 4.640 -0.001 0.000 0.262 14 D C -1.258 175.043 176.300 0.002 0.000 1.210 14 D CA -0.334 53.666 54.000 -0.001 0.000 0.873 14 D CB 1.980 42.784 40.800 0.007 0.000 1.408 14 D HN -0.395 7.965 8.370 -0.016 0.000 0.441 15 Q N -0.877 118.932 119.800 0.015 0.000 2.186 15 Q HA 0.234 4.585 4.340 0.019 0.000 0.241 15 Q C 0.201 176.231 176.000 0.051 0.000 0.849 15 Q CA -0.280 55.540 55.803 0.028 0.000 1.053 15 Q CB 0.863 29.619 28.738 0.029 0.000 1.146 15 Q HN 0.330 8.611 8.270 0.018 0.000 0.475 16 T N 0.048 114.631 114.554 0.047 0.000 3.039 16 T HA 0.096 4.489 4.350 0.071 0.000 0.250 16 T C 1.176 175.919 174.700 0.071 0.000 1.052 16 T CA 1.498 63.633 62.100 0.059 0.000 1.125 16 T CB -0.193 68.702 68.868 0.045 0.000 0.908 16 T HN -0.141 8.040 8.240 0.034 0.079 0.473 17 S N 3.056 118.793 115.700 0.061 0.000 2.351 17 S HA -0.254 4.266 4.470 0.083 0.000 0.220 17 S C 1.641 176.313 174.600 0.121 0.000 1.035 17 S CA 3.674 61.919 58.200 0.076 0.000 1.031 17 S CB -0.284 62.943 63.200 0.044 0.000 0.928 17 S HN 0.009 8.345 8.310 0.044 0.000 0.433 18 K N 0.543 121.003 120.400 0.101 0.000 2.074 18 K HA -0.339 4.056 4.320 0.125 0.000 0.209 18 K C 2.177 178.896 176.600 0.199 0.000 1.048 18 K CA 3.386 59.758 56.287 0.142 0.000 0.926 18 K CB -0.373 32.206 32.500 0.132 0.000 0.713 18 K HN 0.105 8.396 8.250 0.068 0.000 0.444 19 L N -1.599 119.716 121.223 0.154 0.000 2.017 19 L HA -0.306 4.133 4.340 0.164 0.000 0.208 19 L C 1.654 178.612 176.870 0.145 0.000 1.073 19 L CA 2.699 57.631 54.840 0.152 0.000 0.745 19 L CB -0.217 41.922 42.059 0.134 0.000 0.894 19 L HN -0.348 7.951 8.230 0.126 0.006 0.432 20 K N -2.902 117.578 120.400 0.133 0.000 2.439 20 K HA -0.331 4.046 4.320 0.096 0.000 0.197 20 K C 1.889 178.566 176.600 0.129 0.000 1.041 20 K CA 2.284 58.639 56.287 0.112 0.000 0.970 20 K CB 0.082 32.635 32.500 0.089 0.000 0.773 20 K HN -0.144 8.110 8.250 0.127 0.072 0.479 21 Y N -0.981 119.344 120.300 0.041 0.000 2.301 21 Y HA -0.259 4.304 4.550 0.021 0.000 0.295 21 Y C 2.416 178.325 175.900 0.016 0.000 1.119 21 Y CA 3.181 61.298 58.100 0.028 0.000 1.162 21 Y CB 0.494 38.975 38.460 0.035 0.000 1.046 21 Y HN -0.350 7.905 8.280 0.276 0.191 0.538 22 V N -2.625 117.377 119.914 0.147 0.000 2.688 22 V HA -0.366 3.770 4.120 0.026 0.000 0.256 22 V C -0.290 175.752 176.094 -0.087 0.000 1.084 22 V CA 3.536 65.862 62.300 0.043 0.000 1.103 22 V CB -0.036 31.860 31.823 0.123 0.000 0.688 22 V HN -0.100 8.248 8.190 0.264 0.000 0.480 23 L N -9.690 111.483 121.223 -0.083 0.000 2.906 23 L HA 0.359 4.566 4.340 -0.221 0.000 0.255 23 L C -1.057 175.718 176.870 -0.158 0.000 1.166 23 L CA -1.895 52.855 54.840 -0.150 0.000 0.977 23 L CB -0.694 41.324 42.059 -0.068 0.000 1.313 23 L HN -0.838 7.328 8.230 -0.021 0.051 0.549 24 Q N 3.521 123.213 119.800 -0.181 0.000 2.275 24 Q HA -0.316 3.985 4.340 -0.065 0.000 0.293 24 Q C -0.032 175.869 176.000 -0.165 0.000 1.129 24 Q CA 2.017 57.724 55.803 -0.160 0.000 0.971 24 Q CB -0.109 28.477 28.738 -0.253 0.000 1.098 24 Q HN -0.493 7.424 8.270 -0.229 0.215 0.386 25 D N 1.061 121.407 120.400 -0.090 0.000 2.800 25 D HA -0.351 4.272 4.640 -0.029 0.000 0.232 25 D C -2.041 174.177 176.300 -0.136 0.000 1.137 25 D CA 1.017 54.970 54.000 -0.080 0.000 0.718 25 D CB -0.221 40.531 40.800 -0.080 0.000 1.084 25 D HN 0.215 8.563 8.370 -0.037 0.000 0.432 26 A N -4.098 118.592 122.820 -0.216 0.000 2.299 26 A HA 0.400 4.618 4.320 -0.250 -0.048 0.332 26 A C -1.043 176.286 177.584 -0.426 0.000 1.131 26 A CA -1.184 50.649 52.037 -0.340 0.000 0.844 26 A CB 2.463 21.192 19.000 -0.451 0.000 1.251 26 A HN -0.368 7.655 8.150 -0.194 0.011 0.486 27 R N -0.351 119.948 120.500 -0.334 0.000 2.229 27 R HA 0.222 4.456 4.340 -0.176 0.000 0.328 27 R C -1.040 175.033 176.300 -0.379 0.000 1.009 27 R CA -0.907 55.042 56.100 -0.251 0.000 0.864 27 R CB 1.068 31.349 30.300 -0.031 0.000 1.085 27 R HN 0.246 8.372 8.270 -0.241 0.000 0.453 28 F N 2.856 122.668 119.950 -0.231 0.000 2.385 28 F HA 0.155 4.818 4.527 -0.027 -0.152 0.336 28 F C -0.735 174.844 175.800 -0.367 0.000 1.100 28 F CA -0.662 57.228 58.000 -0.182 0.000 1.116 28 F CB 1.596 40.483 39.000 -0.187 0.000 1.166 28 F HN 0.167 8.503 8.300 0.060 0.000 0.511 29 F N 0.565 120.594 119.950 0.132 0.000 2.553 29 F HA 0.195 4.776 4.527 0.090 0.000 0.335 29 F C -1.421 174.410 175.800 0.050 0.000 1.148 29 F CA -1.109 56.933 58.000 0.070 0.000 0.963 29 F CB 3.040 42.044 39.000 0.006 0.000 1.217 29 F HN 0.703 9.092 8.300 0.320 0.103 0.441 30 L N 5.643 126.980 121.223 0.190 0.000 2.315 30 L HA 0.142 4.698 4.340 0.146 -0.128 0.283 30 L C -1.477 175.450 176.870 0.095 0.000 1.089 30 L CA -0.420 54.505 54.840 0.141 0.000 0.833 30 L CB 1.200 43.340 42.059 0.135 0.000 1.170 30 L HN -0.101 8.220 8.230 0.153 0.000 0.442 31 I N 2.194 122.761 120.570 -0.006 0.000 2.362 31 I HA 0.758 5.152 4.170 0.007 -0.220 0.289 31 I C -1.516 174.552 176.117 -0.081 0.000 0.994 31 I CA -2.420 58.831 61.300 -0.081 0.000 1.158 31 I CB 2.083 39.920 38.000 -0.271 0.000 1.315 31 I HN 0.309 8.502 8.210 -0.029 0.000 0.451 32 K N 7.116 127.519 120.400 0.005 0.000 2.164 32 K HA 1.006 5.574 4.320 0.012 -0.241 0.258 32 K C 0.029 176.665 176.600 0.061 0.000 0.951 32 K CA -2.197 54.105 56.287 0.025 0.000 0.844 32 K CB 2.109 34.633 32.500 0.039 0.000 1.099 32 K HN -0.428 8.080 8.250 0.032 -0.239 0.435 33 S N 1.077 116.818 115.700 0.068 0.000 2.801 33 S HA 0.266 4.830 4.470 0.157 0.000 0.312 33 S C -0.809 173.831 174.600 0.066 0.000 1.112 33 S CA -1.698 56.574 58.200 0.120 0.000 0.943 33 S CB 2.192 65.500 63.200 0.180 0.000 1.269 33 S HN -0.123 8.214 8.310 0.045 0.000 0.558 34 N N -1.772 116.971 118.700 0.072 0.000 2.305 34 N HA 0.093 4.837 4.740 0.006 0.000 0.248 34 N C -1.502 174.018 175.510 0.016 0.000 1.290 34 N CA -0.330 52.739 53.050 0.030 0.000 0.873 34 N CB 1.154 39.664 38.487 0.039 0.000 1.261 34 N HN 0.305 8.756 8.380 0.118 0.000 0.504 35 N N -1.439 117.267 118.700 0.009 0.000 3.265 35 N HA 0.003 4.704 4.740 -0.065 0.000 0.235 35 N C -1.625 173.894 175.510 0.015 0.000 1.343 35 N CA -0.213 52.838 53.050 0.002 0.000 0.904 35 N CB 0.340 38.881 38.487 0.090 0.000 1.492 35 N HN -0.532 7.864 8.380 0.028 0.000 0.504 36 H N -0.092 119.050 119.070 0.119 0.000 2.482 36 H HA -0.002 4.628 4.556 0.123 0.000 0.286 36 H C 1.059 176.468 175.328 0.134 0.000 1.017 36 H CA 1.577 57.693 56.048 0.114 0.000 1.322 36 H CB 0.552 30.359 29.762 0.075 0.000 1.426 36 H HN 0.588 8.922 8.280 0.090 0.000 0.546 37 E N 0.277 120.627 120.200 0.250 0.000 2.097 37 E HA -0.360 4.097 4.350 0.178 0.000 0.196 37 E C 2.275 179.052 176.600 0.294 0.000 1.000 37 E CA 3.410 59.941 56.400 0.217 0.000 0.804 37 E CB -0.753 29.052 29.700 0.176 0.000 0.740 37 E HN 0.377 8.869 8.360 0.221 0.000 0.454 38 N N -1.535 117.390 118.700 0.374 0.000 2.043 38 N HA -0.249 4.908 4.740 0.694 0.000 0.193 38 N C 2.430 178.285 175.510 0.575 0.000 1.037 38 N CA 3.321 56.726 53.050 0.592 0.000 0.851 38 N CB -0.501 38.385 38.487 0.666 0.000 1.027 38 N HN -0.026 8.670 8.380 0.319 -0.125 0.422 39 V N -0.195 119.950 119.914 0.385 0.000 2.252 39 V HA -0.470 3.814 4.120 0.273 0.000 0.249 39 V C 1.955 178.121 176.094 0.121 0.000 1.056 39 V CA 3.571 66.024 62.300 0.254 0.000 1.022 39 V CB -0.712 31.246 31.823 0.226 0.000 0.641 39 V HN -0.535 7.868 8.190 0.354 0.000 0.445 40 S N -0.626 115.139 115.700 0.108 0.000 2.359 40 S HA -0.377 4.030 4.470 -0.105 0.000 0.223 40 S C 2.379 177.008 174.600 0.048 0.000 1.039 40 S CA 3.945 62.151 58.200 0.011 0.000 1.042 40 S CB -0.095 63.126 63.200 0.035 0.000 0.915 40 S HN -0.347 8.064 8.310 0.169 0.000 0.439 41 L N 0.610 121.940 121.223 0.177 0.000 2.042 41 L HA -0.380 4.018 4.340 0.097 0.000 0.210 41 L C 1.077 178.108 176.870 0.267 0.000 1.076 41 L CA 3.044 58.000 54.840 0.193 0.000 0.749 41 L CB -0.194 42.017 42.059 0.254 0.000 0.893 41 L HN 0.001 8.369 8.230 0.230 0.000 0.432 42 A N -1.490 121.625 122.820 0.492 0.000 1.933 42 A HA -0.260 4.620 4.320 0.791 -0.085 0.218 42 A C 2.314 180.159 177.584 0.435 0.000 1.175 42 A CA 2.873 55.318 52.037 0.680 0.000 0.628 42 A CB -0.525 19.023 19.000 0.914 0.000 0.814 42 A HN 0.363 8.758 8.150 0.533 0.075 0.444 43 K N -2.995 117.346 120.400 -0.098 0.000 2.305 43 K HA -0.240 3.334 4.320 -1.243 0.000 0.199 43 K C 1.564 177.984 176.600 -0.300 0.000 1.047 43 K CA 2.575 58.431 56.287 -0.718 0.000 0.976 43 K CB 0.159 32.018 32.500 -1.067 0.000 0.765 43 K HN -0.065 8.022 8.250 -0.082 0.113 0.474 44 A N -0.091 122.669 122.820 -0.100 0.000 1.855 44 A HA -0.069 4.197 4.320 -0.090 0.000 0.213 44 A C 1.529 179.118 177.584 0.009 0.000 1.195 44 A CA 2.582 54.589 52.037 -0.051 0.000 0.610 44 A CB -0.250 18.736 19.000 -0.023 0.000 0.837 44 A HN -0.175 7.801 8.150 -0.042 0.148 0.444 45 K N -4.784 115.654 120.400 0.064 0.000 2.262 45 K HA -0.020 4.324 4.320 0.040 0.000 0.200 45 K C 0.617 177.317 176.600 0.167 0.000 1.049 45 K CA 0.281 56.615 56.287 0.079 0.000 0.979 45 K CB 1.035 33.557 32.500 0.037 0.000 0.773 45 K HN -0.147 8.155 8.250 0.087 0.000 0.474 46 G N -0.932 108.044 108.800 0.294 0.000 2.142 46 G HA2 -0.249 4.210 3.960 0.742 0.000 0.225 46 G HA3 -0.249 3.907 3.960 0.326 0.000 0.225 46 G C -1.704 173.451 174.900 0.426 0.000 1.015 46 G CA 0.279 45.646 45.100 0.445 0.000 0.716 46 G HN -0.017 8.351 8.290 0.292 0.098 0.508 47 V N -7.859 112.362 119.914 0.512 0.000 3.119 47 V HA 0.890 5.397 4.120 0.458 -0.113 0.311 47 V C -2.425 174.197 176.094 0.880 0.000 1.259 47 V CA -3.981 58.658 62.300 0.565 0.000 1.067 47 V CB 2.843 34.957 31.823 0.484 0.000 1.123 47 V HN -0.744 7.769 8.190 0.538 0.000 0.463 48 W N -1.168 120.459 121.300 0.545 0.000 3.889 48 W HA 0.149 5.031 4.660 0.369 0.000 0.310 48 W C -2.765 173.824 176.519 0.116 0.000 1.167 48 W CA -0.497 57.060 57.345 0.353 0.000 1.299 48 W CB 2.697 32.367 29.460 0.350 0.000 1.214 48 W HN -0.364 8.230 8.180 0.691 0.000 0.451 49 S N 6.638 121.698 115.700 -1.068 0.000 2.565 49 S HA 0.476 4.746 4.470 -0.333 0.000 0.290 49 S C -0.763 173.108 174.600 -1.216 0.000 1.150 49 S CA -0.982 56.674 58.200 -0.907 0.000 1.058 49 S CB 1.525 64.187 63.200 -0.898 0.000 1.032 49 S HN 0.246 7.411 8.310 -1.908 0.000 0.510 50 T N 3.732 117.917 114.554 -0.614 0.000 2.731 50 T HA 0.090 4.092 4.350 -0.580 0.000 0.300 50 T C -1.906 172.656 174.700 -0.230 0.000 1.283 50 T CA -1.961 59.855 62.100 -0.474 0.000 1.005 50 T CB 0.804 69.453 68.868 -0.364 0.000 1.420 50 T HN 0.006 8.046 8.240 -0.333 0.000 0.503 51 L N 1.310 122.433 121.223 -0.167 0.000 2.498 51 L HA -0.035 4.468 4.340 -0.098 -0.221 0.293 51 L C 0.936 177.769 176.870 -0.061 0.000 1.271 51 L CA 0.709 55.491 54.840 -0.097 0.000 0.831 51 L CB -1.527 40.490 42.059 -0.070 0.000 1.091 51 L HN 0.334 8.459 8.230 -0.175 0.000 0.535 52 P HA -0.131 4.271 4.420 -0.029 0.000 0.217 52 P C 1.149 178.434 177.300 -0.024 0.000 1.151 52 P CA 2.352 65.432 63.100 -0.033 0.000 0.828 52 P CB 0.099 31.775 31.700 -0.039 0.000 0.788 53 V N -4.249 115.648 119.914 -0.027 0.000 2.332 53 V HA -0.512 3.597 4.120 -0.019 0.000 0.248 53 V C 1.453 177.526 176.094 -0.035 0.000 1.055 53 V CA 4.119 66.406 62.300 -0.023 0.000 1.038 53 V CB -0.909 30.904 31.823 -0.016 0.000 0.651 53 V HN 0.207 8.379 8.190 -0.030 0.000 0.450 54 N N -1.139 117.528 118.700 -0.054 0.000 2.244 54 N HA -0.326 4.333 4.740 -0.135 0.000 0.183 54 N C 1.760 177.194 175.510 -0.126 0.000 1.016 54 N CA 3.294 56.275 53.050 -0.116 0.000 0.866 54 N CB -0.760 37.651 38.487 -0.127 0.000 0.980 54 N HN -0.235 8.116 8.380 -0.048 0.000 0.430 55 E N 1.198 121.410 120.200 0.021 0.000 2.017 55 E HA -0.318 4.300 4.350 0.446 0.000 0.193 55 E C 1.831 178.521 176.600 0.149 0.000 0.997 55 E CA 3.505 60.060 56.400 0.259 0.000 0.804 55 E CB 0.058 29.902 29.700 0.240 0.000 0.757 55 E HN -0.651 7.603 8.360 0.015 0.115 0.448 56 K N -2.020 118.403 120.400 0.038 0.000 2.097 56 K HA -0.302 4.025 4.320 0.013 0.000 0.206 56 K C 2.516 179.116 176.600 -0.001 0.000 1.049 56 K CA 3.232 59.525 56.287 0.009 0.000 0.933 56 K CB -0.477 32.016 32.500 -0.011 0.000 0.717 56 K HN -0.089 8.171 8.250 0.017 0.000 0.442 57 K N -0.229 120.149 120.400 -0.036 0.000 2.026 57 K HA -0.275 4.045 4.320 0.000 0.000 0.208 57 K C 2.591 179.124 176.600 -0.111 0.000 1.048 57 K CA 3.114 59.369 56.287 -0.054 0.000 0.929 57 K CB -0.149 32.305 32.500 -0.077 0.000 0.713 57 K HN -0.455 7.755 8.250 -0.042 0.015 0.439 58 L N -1.492 119.577 121.223 -0.256 0.000 2.093 58 L HA -0.458 3.616 4.340 -0.443 0.000 0.208 58 L C 2.117 178.980 176.870 -0.013 0.000 1.085 58 L CA 2.961 57.611 54.840 -0.317 0.000 0.755 58 L CB -0.527 41.207 42.059 -0.543 0.000 0.904 58 L HN -0.088 7.987 8.230 -0.258 0.000 0.435 59 N N 0.175 118.904 118.700 0.049 0.000 2.058 59 N HA -0.341 4.451 4.740 0.086 0.000 0.191 59 N C 2.285 177.872 175.510 0.128 0.000 1.037 59 N CA 3.690 56.794 53.050 0.091 0.000 0.848 59 N CB 0.178 38.692 38.487 0.046 0.000 1.021 59 N HN -0.322 7.991 8.380 0.040 0.091 0.422 60 L N -0.547 120.727 121.223 0.083 0.000 2.017 60 L HA -0.300 4.088 4.340 0.080 0.000 0.208 60 L C 2.004 178.941 176.870 0.112 0.000 1.073 60 L CA 3.324 58.214 54.840 0.084 0.000 0.745 60 L CB -0.337 41.756 42.059 0.056 0.000 0.894 60 L HN 0.021 8.283 8.230 0.053 0.000 0.432 61 A N -1.561 121.337 122.820 0.131 0.000 2.015 61 A HA -0.252 4.144 4.320 0.127 0.000 0.219 61 A C 2.118 179.794 177.584 0.154 0.000 1.163 61 A CA 2.820 54.953 52.037 0.161 0.000 0.646 61 A CB -0.874 18.291 19.000 0.275 0.000 0.806 61 A HN -0.060 8.155 8.150 0.108 0.000 0.448 62 F N 0.202 120.170 119.950 0.031 0.000 2.098 62 F HA -0.333 4.203 4.527 0.016 0.000 0.294 62 F C 0.058 175.864 175.800 0.010 0.000 1.107 62 F CA 3.193 61.202 58.000 0.016 0.000 1.234 62 F CB 0.509 39.516 39.000 0.012 0.000 1.002 62 F HN -0.304 7.942 8.300 0.286 0.226 0.472 63 R N -4.120 116.547 120.500 0.279 0.000 2.148 63 R HA -0.229 4.191 4.340 0.133 0.000 0.223 63 R C 1.534 177.850 176.300 0.028 0.000 1.088 63 R CA 1.600 57.791 56.100 0.151 0.000 0.985 63 R CB -0.209 30.192 30.300 0.168 0.000 0.880 63 R HN -0.220 8.258 8.270 0.347 0.000 0.451 64 S N -1.176 114.543 115.700 0.031 0.000 2.425 64 S HA 0.008 4.482 4.470 0.007 0.000 0.225 64 S C -0.659 173.923 174.600 -0.029 0.000 1.024 64 S CA 2.005 60.210 58.200 0.009 0.000 0.951 64 S CB 0.972 64.191 63.200 0.032 0.000 0.796 64 S HN -0.092 8.230 8.310 0.070 0.030 0.498 65 A N -0.610 122.173 122.820 -0.062 0.000 2.637 65 A HA 0.116 4.390 4.320 -0.077 0.000 0.258 65 A C -1.099 176.355 177.584 -0.217 0.000 1.250 65 A CA -0.861 51.114 52.037 -0.104 0.000 0.931 65 A CB 1.519 20.478 19.000 -0.067 0.000 1.488 65 A HN -0.480 7.450 8.150 -0.050 0.190 0.464 66 R N -1.011 119.353 120.500 -0.226 0.000 2.054 66 R HA -0.131 4.039 4.340 -0.283 0.000 0.223 66 R C 0.404 176.439 176.300 -0.442 0.000 1.176 66 R CA 2.137 58.062 56.100 -0.293 0.000 0.934 66 R CB 0.824 30.982 30.300 -0.236 0.000 0.828 66 R HN 0.255 8.421 8.270 -0.175 0.000 0.441 67 S N -4.886 110.604 115.700 -0.350 0.000 2.709 67 S HA 0.161 4.346 4.470 -0.476 0.000 0.302 67 S C -2.154 172.339 174.600 -0.179 0.000 1.127 67 S CA -0.791 57.222 58.200 -0.312 0.000 0.905 67 S CB 3.379 66.452 63.200 -0.211 0.000 1.151 67 S HN -0.159 7.979 8.310 -0.287 0.000 0.510 68 V N 2.277 122.186 119.914 -0.008 0.000 2.445 68 V HA 0.472 4.815 4.120 0.024 -0.208 0.283 68 V C -1.223 174.894 176.094 0.039 0.000 1.014 68 V CA -1.482 60.867 62.300 0.080 0.000 0.852 68 V CB 0.904 32.871 31.823 0.240 0.000 1.021 68 V HN 0.622 8.853 8.190 0.068 0.000 0.435 69 I N 7.291 127.804 120.570 -0.095 0.000 2.581 69 I HA 0.014 4.200 4.170 0.027 0.000 0.288 69 I C -1.220 174.983 176.117 0.144 0.000 1.047 69 I CA -1.622 59.669 61.300 -0.015 0.000 1.374 69 I CB 0.406 38.337 38.000 -0.115 0.000 1.423 69 I HN 0.376 8.409 8.210 -0.295 0.000 0.549 70 L N 4.804 126.125 121.223 0.162 0.000 2.442 70 L HA 0.511 5.166 4.340 0.179 -0.208 0.261 70 L C -0.541 176.482 176.870 0.254 0.000 1.000 70 L CA -1.099 53.836 54.840 0.158 0.000 0.882 70 L CB 1.217 43.310 42.059 0.058 0.000 1.207 70 L HN -0.115 8.212 8.230 0.162 0.000 0.443 71 I N 3.577 124.286 120.570 0.233 0.000 2.396 71 I HA -0.089 4.336 4.170 0.425 0.000 0.289 71 I C -1.022 175.289 176.117 0.324 0.000 1.056 71 I CA 0.396 61.886 61.300 0.316 0.000 1.365 71 I CB 0.391 38.518 38.000 0.211 0.000 1.407 71 I HN -0.193 8.139 8.210 0.203 0.000 0.509 72 F N 9.825 129.905 119.950 0.216 0.000 2.424 72 F HA 0.312 5.001 4.527 0.046 -0.135 0.356 72 F C -0.319 175.647 175.800 0.277 0.000 1.110 72 F CA -0.694 57.399 58.000 0.156 0.000 1.161 72 F CB 0.546 39.619 39.000 0.122 0.000 1.115 72 F HN 0.373 9.155 8.300 0.803 0.000 0.507 73 S N 3.597 119.438 115.700 0.234 0.000 2.647 73 S HA 0.372 4.868 4.470 0.043 0.000 0.300 73 S C -1.641 172.974 174.600 0.025 0.000 1.129 73 S CA -1.145 57.092 58.200 0.061 0.000 1.029 73 S CB 1.601 64.753 63.200 -0.079 0.000 1.007 73 S HN 0.476 8.840 8.310 0.091 0.000 0.484 74 V N 4.816 124.740 119.914 0.016 0.000 2.498 74 V HA 0.061 4.187 4.120 0.010 0.000 0.279 74 V C -0.261 175.832 176.094 -0.001 0.000 1.048 74 V CA -0.846 61.459 62.300 0.008 0.000 0.967 74 V CB 0.133 31.961 31.823 0.007 0.000 0.988 74 V HN 0.105 8.294 8.190 -0.003 0.000 0.473 75 R N 8.315 128.811 120.500 -0.006 0.000 2.490 75 R HA -0.053 4.306 4.340 0.032 0.000 0.280 75 R C -0.183 176.118 176.300 0.002 0.000 1.077 75 R CA 0.652 56.758 56.100 0.009 0.000 1.065 75 R CB 0.265 30.569 30.300 0.006 0.000 1.003 75 R HN -0.318 7.943 8.270 -0.015 0.000 0.470 76 E N -1.129 119.084 120.200 0.020 0.000 2.971 76 E HA -0.226 4.136 4.350 0.020 0.000 0.278 76 E C -0.612 176.014 176.600 0.044 0.000 1.009 76 E CA 1.375 57.788 56.400 0.022 0.000 0.862 76 E CB -1.986 27.719 29.700 0.008 0.000 1.436 76 E HN 0.618 8.993 8.360 0.025 0.000 0.434 77 S N -1.208 114.534 115.700 0.071 0.000 2.502 77 S HA 0.036 4.579 4.470 0.121 0.000 0.228 77 S C 0.258 174.937 174.600 0.132 0.000 1.061 77 S CA 0.480 58.746 58.200 0.111 0.000 0.935 77 S CB 1.585 64.858 63.200 0.122 0.000 0.809 77 S HN -0.421 7.895 8.310 0.077 0.040 0.510 78 G N 0.304 109.216 108.800 0.186 0.000 2.132 78 G HA2 -0.323 3.840 3.960 0.339 0.000 0.234 78 G HA3 -0.323 3.740 3.960 0.171 0.000 0.234 78 G C -2.020 173.049 174.900 0.282 0.000 0.989 78 G CA 0.367 45.626 45.100 0.266 0.000 0.676 78 G HN 0.293 8.706 8.290 0.205 0.000 0.522 79 K N -5.194 115.238 120.400 0.053 0.000 2.736 79 K HA 0.286 4.369 4.320 -0.509 -0.068 0.290 79 K C -2.218 174.156 176.600 -0.377 0.000 1.033 79 K CA -0.611 55.528 56.287 -0.247 0.000 0.852 79 K CB 2.219 34.706 32.500 -0.023 0.000 1.494 79 K HN -0.892 7.359 8.250 0.063 0.037 0.378 80 F N -2.097 117.667 119.950 -0.309 0.000 2.378 80 F HA 0.019 4.505 4.527 -0.068 0.000 0.319 80 F C 0.608 176.481 175.800 0.121 0.000 1.155 80 F CA 0.713 58.670 58.000 -0.070 0.000 1.157 80 F CB 1.144 40.164 39.000 0.034 0.000 1.252 80 F HN 0.584 8.885 8.300 0.001 0.000 0.550 81 Q N 0.153 120.219 119.800 0.443 0.000 2.165 81 Q HA 0.198 4.698 4.340 0.267 0.000 0.245 81 Q C -1.140 175.085 176.000 0.375 0.000 0.841 81 Q CA -1.924 54.087 55.803 0.347 0.000 1.078 81 Q CB 1.164 30.089 28.738 0.311 0.000 1.169 81 Q HN 0.300 8.886 8.270 0.528 0.000 0.475 82 G N -3.124 106.022 108.800 0.577 0.000 2.610 82 G HA2 -0.344 3.878 3.960 0.436 0.000 0.304 82 G HA3 -0.344 3.750 3.960 0.224 0.000 0.304 82 G C -2.556 172.588 174.900 0.407 0.000 1.309 82 G CA -0.342 45.000 45.100 0.404 0.000 0.906 82 G HN -0.499 8.190 8.290 0.783 0.071 0.521 83 F N -4.880 115.064 119.950 -0.009 0.000 2.985 83 F HA 0.805 5.537 4.527 0.178 -0.099 0.322 83 F C -2.763 172.867 175.800 -0.283 0.000 1.187 83 F CA -2.097 55.866 58.000 -0.062 0.000 0.910 83 F CB 2.830 41.736 39.000 -0.156 0.000 1.411 83 F HN -0.283 7.744 8.300 -0.454 0.000 0.492 84 A N -3.620 119.136 122.820 -0.107 0.000 2.560 84 A HA 0.208 4.334 4.320 -0.323 0.000 0.300 84 A C -2.561 174.981 177.584 -0.070 0.000 1.062 84 A CA 0.249 52.081 52.037 -0.341 0.000 0.767 84 A CB 2.720 21.108 19.000 -1.020 0.000 1.288 84 A HN -0.020 8.271 8.150 0.235 0.000 0.396 85 R N 4.259 124.749 120.500 -0.017 0.000 2.308 85 R HA 0.116 4.592 4.340 0.045 -0.109 0.305 85 R C -0.593 175.723 176.300 0.025 0.000 1.053 85 R CA -0.838 55.281 56.100 0.031 0.000 0.957 85 R CB 1.479 31.810 30.300 0.051 0.000 1.022 85 R HN 0.400 8.648 8.270 -0.037 0.000 0.461 86 L N 6.817 128.078 121.223 0.064 0.000 2.745 86 L HA -0.194 4.166 4.340 0.034 0.000 0.273 86 L C -0.397 176.570 176.870 0.162 0.000 1.156 86 L CA 1.315 56.207 54.840 0.087 0.000 0.982 86 L CB -0.263 41.855 42.059 0.099 0.000 1.295 86 L HN 0.621 8.785 8.230 0.066 0.106 0.483 87 S N 5.232 120.988 115.700 0.093 0.000 2.522 87 S HA -0.149 4.412 4.470 0.153 0.000 0.227 87 S C 0.255 174.898 174.600 0.072 0.000 0.986 87 S CA 1.793 60.059 58.200 0.110 0.000 0.929 87 S CB 0.259 63.507 63.200 0.079 0.000 0.769 87 S HN 0.281 8.628 8.310 0.061 0.000 0.529 88 S N -3.228 112.425 115.700 -0.078 0.000 2.645 88 S HA 0.101 4.262 4.470 -0.514 0.000 0.268 88 S C -2.190 172.172 174.600 -0.396 0.000 1.110 88 S CA -0.730 57.288 58.200 -0.304 0.000 0.823 88 S CB 0.813 63.952 63.200 -0.102 0.000 1.091 88 S HN -0.843 7.391 8.310 -0.039 0.053 0.466 89 E N -0.024 119.851 120.200 -0.541 0.000 2.718 89 E HA -0.111 4.148 4.350 -0.151 0.000 0.263 89 E C 0.376 176.631 176.600 -0.575 0.000 1.434 89 E CA 0.504 56.671 56.400 -0.389 0.000 1.106 89 E CB 0.628 30.096 29.700 -0.387 0.000 1.029 89 E HN 0.168 8.188 8.360 -0.567 0.000 0.631 90 S N -1.095 114.020 115.700 -0.975 0.000 2.640 90 S HA 0.113 3.794 4.470 -1.539 -0.135 0.262 90 S C 0.153 174.245 174.600 -0.846 0.000 1.232 90 S CA 0.402 57.802 58.200 -1.333 0.000 0.988 90 S CB 1.110 63.443 63.200 -1.446 0.000 1.034 90 S HN -0.175 7.714 8.310 -0.701 0.000 0.569 91 H N -3.582 115.288 119.070 -0.333 0.000 2.990 91 H HA 0.198 4.683 4.556 -0.119 0.000 0.343 91 H C -1.671 173.669 175.328 0.020 0.000 1.270 91 H CA -0.031 55.941 56.048 -0.127 0.000 1.118 91 H CB 3.856 33.568 29.762 -0.084 0.000 1.861 91 H HN -0.121 7.944 8.280 -0.358 0.000 0.544 92 H N -1.006 118.100 119.070 0.059 0.000 3.204 92 H HA 0.289 4.844 4.556 -0.003 0.000 0.240 92 H C 0.389 175.718 175.328 0.002 0.000 1.259 92 H CA -0.436 55.614 56.048 0.004 0.000 0.991 92 H CB 0.214 29.962 29.762 -0.023 0.000 2.583 92 H HN 0.385 8.821 8.280 0.261 0.000 0.638 93 G N 1.511 110.315 108.800 0.008 0.000 2.781 93 G HA2 -0.175 3.767 3.960 -0.030 0.000 0.157 93 G HA3 -0.175 3.746 3.960 -0.065 0.000 0.157 93 G C 1.027 175.867 174.900 -0.099 0.000 1.823 93 G CA -0.010 45.059 45.100 -0.050 0.000 0.932 93 G HN 0.037 8.355 8.290 0.047 0.000 0.398 94 G N -0.378 108.368 108.800 -0.090 0.000 2.844 94 G HA2 -0.100 3.808 3.960 -0.085 0.000 0.211 94 G HA3 -0.100 3.811 3.960 -0.082 0.000 0.211 94 G C -0.115 174.718 174.900 -0.112 0.000 1.368 94 G CA 0.385 45.430 45.100 -0.091 0.000 0.815 94 G HN 0.029 8.268 8.290 -0.084 0.000 0.649 95 S N -1.563 114.081 115.700 -0.094 0.000 2.597 95 S HA 0.123 4.524 4.470 -0.115 0.000 0.274 95 S C -2.509 172.065 174.600 -0.044 0.000 1.132 95 S CA -1.126 57.023 58.200 -0.084 0.000 0.835 95 S CB 1.023 64.177 63.200 -0.078 0.000 1.092 95 S HN -0.293 7.968 8.310 -0.081 0.000 0.457 96 P HA 0.286 4.768 4.420 0.104 0.000 0.273 96 P C -1.345 175.923 177.300 -0.054 0.000 1.250 96 P CA -0.399 62.751 63.100 0.083 0.000 0.793 96 P CB 0.374 32.224 31.700 0.250 0.000 1.011 97 I N -4.903 115.525 120.570 -0.237 0.000 2.945 97 I HA 0.101 4.031 4.170 -0.401 0.000 0.292 97 I C 0.178 176.054 176.117 -0.401 0.000 1.093 97 I CA -1.006 60.000 61.300 -0.489 0.000 1.336 97 I CB 0.993 38.547 38.000 -0.745 0.000 1.435 97 I HN -0.237 7.864 8.210 -0.181 0.000 0.593 98 H N -1.213 117.683 119.070 -0.290 0.000 3.220 98 H HA -0.019 4.513 4.556 -0.041 0.000 0.225 98 H C -0.852 174.421 175.328 -0.091 0.000 1.869 98 H CA -1.249 54.724 56.048 -0.126 0.000 1.428 98 H CB -2.405 27.315 29.762 -0.071 0.000 1.792 98 H HN 0.143 8.041 8.280 -0.636 0.000 0.595 99 W N 0.774 122.185 121.300 0.185 0.000 2.131 99 W HA -0.300 4.458 4.660 0.163 0.000 0.357 99 W C 1.004 177.566 176.519 0.071 0.000 1.312 99 W CA -0.027 57.392 57.345 0.123 0.000 1.334 99 W CB 0.308 29.803 29.460 0.058 0.000 1.238 99 W HN -0.107 8.053 8.180 0.060 0.056 0.626 100 V N 2.290 122.420 119.914 0.359 0.000 2.270 100 V HA 0.058 4.258 4.120 0.132 0.000 0.263 100 V C -1.207 174.987 176.094 0.167 0.000 1.066 100 V CA -0.275 62.142 62.300 0.196 0.000 0.857 100 V CB -1.255 30.666 31.823 0.164 0.000 1.099 100 V HN -0.078 8.409 8.190 0.495 0.000 0.476 101 L N 6.473 127.775 121.223 0.131 0.000 2.344 101 L HA 0.401 4.789 4.340 0.080 0.000 0.272 101 L C -1.185 175.723 176.870 0.063 0.000 1.035 101 L CA -2.740 52.151 54.840 0.086 0.000 0.807 101 L CB -0.931 41.171 42.059 0.072 0.000 1.237 101 L HN -0.184 8.126 8.230 0.133 0.000 0.442 102 P HA 0.031 4.475 4.420 0.040 0.000 0.288 102 P C -0.945 176.374 177.300 0.032 0.000 1.291 102 P CA -0.682 62.441 63.100 0.038 0.000 0.766 102 P CB 0.613 32.331 31.700 0.031 0.000 1.242 103 A N -1.334 121.502 122.820 0.026 0.000 3.117 103 A HA 0.058 4.392 4.320 0.024 0.000 0.255 103 A C -0.940 176.655 177.584 0.019 0.000 1.583 103 A CA 0.318 52.368 52.037 0.022 0.000 1.234 103 A CB -1.567 17.445 19.000 0.019 0.000 1.076 103 A HN 0.302 8.467 8.150 0.025 0.000 0.653 104 G N -1.139 107.672 108.800 0.019 0.000 3.990 104 G HA2 -0.111 3.858 3.960 0.014 0.000 0.204 104 G HA3 -0.111 3.857 3.960 0.013 0.000 0.204 104 G C -0.531 174.377 174.900 0.013 0.000 1.420 104 G CA 0.077 45.185 45.100 0.014 0.000 0.942 104 G HN -0.214 7.997 8.290 0.022 0.092 0.606 105 M N 2.104 121.712 119.600 0.013 0.000 2.252 105 M HA -0.106 4.375 4.480 0.001 0.000 0.333 105 M C -1.100 175.207 176.300 0.012 0.000 1.111 105 M CA 0.671 55.975 55.300 0.006 0.000 1.140 105 M CB 0.781 33.382 32.600 0.001 0.000 1.538 105 M HN -0.287 8.012 8.290 0.016 0.000 0.448 106 S N 0.687 116.390 115.700 0.005 0.000 2.475 106 S HA 0.208 4.692 4.470 0.024 0.000 0.298 106 S C 0.656 175.264 174.600 0.012 0.000 1.119 106 S CA -1.142 57.066 58.200 0.014 0.000 1.085 106 S CB 2.035 65.242 63.200 0.011 0.000 1.028 106 S HN 0.065 8.373 8.310 -0.003 0.000 0.489 107 A N 5.258 128.100 122.820 0.037 0.000 2.067 107 A HA -0.172 4.171 4.320 0.039 0.000 0.219 107 A C 1.202 178.808 177.584 0.037 0.000 1.158 107 A CA 2.786 54.856 52.037 0.054 0.000 0.661 107 A CB -0.311 18.753 19.000 0.107 0.000 0.801 107 A HN 0.777 8.955 8.150 0.045 0.000 0.452 108 K N -3.563 116.855 120.400 0.030 0.000 2.209 108 K HA -0.227 4.120 4.320 0.045 0.000 0.204 108 K C 1.741 178.347 176.600 0.010 0.000 1.048 108 K CA 2.289 58.594 56.287 0.029 0.000 0.940 108 K CB -0.878 31.637 32.500 0.025 0.000 0.729 108 K HN 0.247 8.478 8.250 0.029 0.036 0.451 109 M N -1.312 118.282 119.600 -0.010 0.000 2.319 109 M HA -0.191 4.275 4.480 -0.023 0.000 0.265 109 M C 1.478 177.743 176.300 -0.059 0.000 1.068 109 M CA 2.691 57.972 55.300 -0.031 0.000 1.118 109 M CB -0.069 32.508 32.600 -0.038 0.000 1.395 109 M HN -0.518 7.619 8.290 -0.007 0.148 0.435 110 L N -5.433 115.745 121.223 -0.076 0.000 2.456 110 L HA -0.283 3.989 4.340 -0.189 -0.045 0.224 110 L C 1.289 178.117 176.870 -0.069 0.000 1.148 110 L CA 0.684 55.442 54.840 -0.136 0.000 0.825 110 L CB -0.945 40.992 42.059 -0.204 0.000 0.937 110 L HN -0.561 7.488 8.230 -0.053 0.149 0.450 111 G N -1.229 107.563 108.800 -0.014 0.000 2.620 111 G HA2 -0.398 3.585 3.960 0.037 0.000 0.315 111 G HA3 -0.398 3.541 3.960 -0.034 0.000 0.315 111 G C -0.126 174.827 174.900 0.089 0.000 1.179 111 G CA 0.999 46.107 45.100 0.014 0.000 0.971 111 G HN -0.467 7.636 8.290 -0.007 0.183 0.544 112 G N -0.106 108.709 108.800 0.025 0.000 2.828 112 G HA2 0.540 4.643 3.960 0.238 0.000 0.244 112 G HA3 0.540 4.679 3.960 0.038 -0.157 0.244 112 G C -2.020 172.892 174.900 0.020 0.000 1.365 112 G CA -1.319 43.834 45.100 0.089 0.000 1.041 112 G HN -0.115 8.139 8.290 -0.059 0.000 0.560 113 V N -1.278 118.644 119.914 0.013 0.000 2.715 113 V HA 0.246 4.461 4.120 0.159 0.000 0.310 113 V C -1.692 174.374 176.094 -0.046 0.000 1.054 113 V CA -1.567 60.792 62.300 0.098 0.000 0.928 113 V CB 2.594 34.550 31.823 0.221 0.000 1.007 113 V HN -0.479 7.726 8.190 0.026 0.000 0.437 114 F N 3.710 123.745 119.950 0.140 0.000 2.470 114 F HA 0.175 4.716 4.527 0.024 0.000 0.329 114 F C -0.863 175.035 175.800 0.162 0.000 1.072 114 F CA -1.004 57.054 58.000 0.096 0.000 0.989 114 F CB 3.930 42.968 39.000 0.063 0.000 1.193 114 F HN -0.307 8.237 8.300 0.406 0.000 0.481 115 K N 1.867 122.460 120.400 0.322 0.000 2.354 115 K HA 0.308 4.776 4.320 0.246 0.000 0.257 115 K C -1.293 175.400 176.600 0.155 0.000 1.062 115 K CA -0.950 55.475 56.287 0.231 0.000 0.971 115 K CB -0.112 32.508 32.500 0.199 0.000 1.305 115 K HN 0.303 8.735 8.250 0.304 0.000 0.449 116 I N -0.075 120.560 120.570 0.108 0.000 2.392 116 I HA 0.287 4.430 4.170 -0.045 0.000 0.295 116 I C -1.285 174.741 176.117 -0.151 0.000 0.985 116 I CA -1.881 59.370 61.300 -0.081 0.000 1.221 116 I CB 1.616 39.456 38.000 -0.266 0.000 1.366 116 I HN -0.344 7.970 8.210 0.173 0.000 0.467 117 D N 6.784 127.099 120.400 -0.142 0.000 2.485 117 D HA 0.202 4.856 4.640 0.024 0.000 0.229 117 D C -0.821 175.408 176.300 -0.118 0.000 1.101 117 D CA -0.661 53.304 54.000 -0.058 0.000 0.906 117 D CB 0.453 41.262 40.800 0.015 0.000 1.019 117 D HN -0.293 8.005 8.370 -0.120 0.000 0.516 118 W N 2.822 124.059 121.300 -0.105 0.000 2.613 118 W HA -0.205 4.413 4.660 -0.307 -0.143 0.342 118 W C 1.026 177.409 176.519 -0.226 0.000 1.416 118 W CA 0.351 57.560 57.345 -0.228 0.000 1.335 118 W CB -0.410 28.909 29.460 -0.236 0.000 1.396 118 W HN -0.060 8.153 8.180 0.056 0.000 0.572 119 I N 1.777 122.251 120.570 -0.160 0.000 3.228 119 I HA -0.082 4.070 4.170 -0.030 0.000 0.279 119 I C -0.116 175.884 176.117 -0.196 0.000 1.221 119 I CA 0.835 62.056 61.300 -0.132 0.000 1.458 119 I CB 0.492 38.452 38.000 -0.066 0.000 1.105 119 I HN -0.234 7.773 8.210 -0.338 0.000 0.445 120 C N -0.557 118.483 119.300 -0.433 0.000 2.383 120 C HA 0.051 4.427 4.460 -0.140 0.000 0.330 120 C C -0.947 173.911 174.990 -0.219 0.000 1.168 120 C CA -1.016 57.806 59.018 -0.327 0.000 1.374 120 C CB 1.943 29.401 27.740 -0.470 0.000 2.014 120 C HN -0.238 7.613 8.230 -0.631 0.000 0.439 121 R N 7.315 127.750 120.500 -0.109 0.000 4.031 121 R HA 0.056 4.280 4.340 -0.194 0.000 0.269 121 R C -0.999 175.265 176.300 -0.061 0.000 1.668 121 R CA -0.001 56.023 56.100 -0.125 0.000 1.432 121 R CB -1.287 28.937 30.300 -0.126 0.000 1.374 121 R HN 0.463 8.689 8.270 -0.075 0.000 0.681 122 R N -1.294 119.219 120.500 0.021 0.000 3.045 122 R HA 0.264 4.631 4.340 0.044 0.000 0.245 122 R C -1.770 174.665 176.300 0.225 0.000 1.333 122 R CA -2.391 53.774 56.100 0.107 0.000 1.036 122 R CB 1.554 31.946 30.300 0.154 0.000 1.340 122 R HN -0.693 7.486 8.270 0.012 0.099 0.488 123 E N -2.176 118.148 120.200 0.208 0.000 2.412 123 E HA 0.146 4.715 4.350 0.365 0.000 0.255 123 E C -2.047 174.556 176.600 0.004 0.000 0.933 123 E CA -0.990 55.534 56.400 0.206 0.000 0.823 123 E CB 2.109 31.866 29.700 0.095 0.000 1.352 123 E HN 0.010 8.452 8.360 0.138 0.000 0.406 124 L N -1.788 119.354 121.223 -0.135 0.000 2.710 124 L HA 0.562 4.710 4.340 -0.320 0.000 0.262 124 L C -3.327 173.460 176.870 -0.138 0.000 0.940 124 L CA -1.984 52.621 54.840 -0.391 0.000 0.944 124 L CB 2.989 44.285 42.059 -1.273 0.000 1.348 124 L HN -0.164 8.079 8.230 0.022 0.000 0.425 125 P HA 0.283 4.711 4.420 0.014 0.000 0.271 125 P C 0.381 177.723 177.300 0.069 0.000 1.216 125 P CA -0.822 62.281 63.100 0.005 0.000 0.776 125 P CB 0.704 32.417 31.700 0.021 0.000 0.881 126 F N 1.863 121.866 119.950 0.088 0.000 2.408 126 F HA -0.211 4.447 4.527 0.218 0.000 0.300 126 F C 1.848 177.699 175.800 0.085 0.000 1.090 126 F CA 2.581 60.644 58.000 0.105 0.000 1.427 126 F CB 0.019 39.030 39.000 0.018 0.000 1.070 126 F HN -0.196 8.223 8.300 0.200 0.000 0.549 127 T N -2.752 111.940 114.554 0.231 0.000 2.788 127 T HA -0.352 4.084 4.350 0.144 0.000 0.268 127 T C 1.169 175.948 174.700 0.130 0.000 1.044 127 T CA 2.917 65.104 62.100 0.145 0.000 1.139 127 T CB -0.433 68.485 68.868 0.083 0.000 0.867 127 T HN 0.074 8.375 8.240 0.195 0.056 0.454 128 K N -0.452 120.011 120.400 0.106 0.000 2.228 128 K HA -0.004 4.335 4.320 0.031 0.000 0.202 128 K C 1.328 178.056 176.600 0.214 0.000 1.051 128 K CA 1.481 57.812 56.287 0.072 0.000 0.960 128 K CB 0.243 32.732 32.500 -0.019 0.000 0.743 128 K HN -0.484 7.708 8.250 0.092 0.113 0.458 129 S N -3.333 112.515 115.700 0.247 0.000 2.524 129 S HA 0.049 4.638 4.470 0.199 0.000 0.216 129 S C 0.283 175.031 174.600 0.246 0.000 0.987 129 S CA 0.899 59.251 58.200 0.253 0.000 0.909 129 S CB 1.034 64.424 63.200 0.316 0.000 0.781 129 S HN -0.682 7.635 8.310 0.237 0.135 0.521 130 A N 2.932 125.930 122.820 0.296 0.000 3.030 130 A HA -0.128 4.268 4.320 0.126 0.000 0.273 130 A C -1.064 176.648 177.584 0.214 0.000 1.841 130 A CA 0.834 52.983 52.037 0.186 0.000 1.479 130 A CB -1.784 17.299 19.000 0.139 0.000 1.048 130 A HN -0.254 7.908 8.150 0.299 0.167 0.612 131 H N -2.665 116.416 119.070 0.019 0.000 2.054 131 H HA -0.014 4.533 4.556 -0.014 0.000 0.135 131 H C -0.710 174.598 175.328 -0.033 0.000 0.924 131 H CA -0.102 55.939 56.048 -0.011 0.000 0.563 131 H CB 0.431 30.183 29.762 -0.015 0.000 0.495 131 H HN 0.158 8.337 8.280 -0.097 0.044 0.344 132 L N 3.072 123.796 121.223 -0.831 0.000 2.479 132 L HA 0.110 4.167 4.340 -0.473 0.000 0.270 132 L C -0.262 176.446 176.870 -0.270 0.000 1.236 132 L CA 0.867 55.375 54.840 -0.553 0.000 0.823 132 L CB 0.345 42.080 42.059 -0.541 0.000 1.098 132 L HN -0.539 7.005 8.230 -1.142 0.000 0.500 133 T N -3.306 111.106 114.554 -0.236 0.000 3.031 133 T HA 0.065 4.445 4.350 -0.154 -0.123 0.305 133 T C -1.402 173.177 174.700 -0.201 0.000 0.985 133 T CA -1.493 60.486 62.100 -0.202 0.000 1.008 133 T CB 1.624 70.339 68.868 -0.255 0.000 1.005 133 T HN -0.174 7.914 8.240 -0.252 0.000 0.444 134 N N 5.153 123.771 118.700 -0.137 0.000 2.437 134 N HA 0.297 4.909 4.740 -0.212 0.000 0.243 134 N C -1.194 174.328 175.510 0.020 0.000 1.041 134 N CA -2.652 50.326 53.050 -0.120 0.000 0.940 134 N CB 1.947 40.377 38.487 -0.095 0.000 1.133 134 N HN 0.470 8.790 8.380 -0.100 0.000 0.506 135 P HA 0.047 4.752 4.420 0.475 0.000 0.234 135 P C -0.551 177.003 177.300 0.423 0.000 1.167 135 P CA 0.507 63.799 63.100 0.319 0.000 0.763 135 P CB 0.201 32.091 31.700 0.315 0.000 0.835 136 W N -1.475 119.843 121.300 0.029 0.000 2.136 136 W HA 0.059 4.727 4.660 0.013 0.000 0.436 136 W C -0.932 175.594 176.519 0.011 0.000 0.624 136 W CA -1.436 55.915 57.345 0.010 0.000 2.276 136 W CB -2.469 26.984 29.460 -0.012 0.000 1.277 136 W HN -0.246 8.142 8.180 0.286 -0.037 0.595 137 N N -0.629 118.196 118.700 0.209 0.000 2.565 137 N HA -0.094 4.704 4.740 0.096 0.000 0.328 137 N C -1.447 174.117 175.510 0.091 0.000 0.599 137 N CA 1.492 54.616 53.050 0.123 0.000 1.240 137 N CB 1.309 39.864 38.487 0.112 0.000 1.951 137 N HN -0.400 8.019 8.380 0.219 0.093 1.657 138 E N -1.891 118.376 120.200 0.112 0.000 3.460 138 E HA 0.020 4.402 4.350 0.053 0.000 0.136 138 E C -1.331 175.369 176.600 0.166 0.000 0.957 138 E CA 0.147 56.599 56.400 0.088 0.000 1.564 138 E CB -0.648 29.083 29.700 0.052 0.000 1.067 138 E HN -0.269 8.175 8.360 0.140 0.000 0.356 139 H N -3.205 115.883 119.070 0.031 0.000 2.958 139 H HA -0.353 4.212 4.556 0.015 0.000 0.274 139 H C -0.835 174.493 175.328 -0.000 0.000 1.184 139 H CA 1.068 57.125 56.048 0.015 0.000 1.143 139 H CB -1.772 27.997 29.762 0.012 0.000 1.297 139 H HN 0.039 8.492 8.280 0.288 0.000 0.356 140 K N -2.780 117.673 120.400 0.088 0.000 2.126 140 K HA 0.412 4.748 4.320 0.027 0.000 0.257 140 K C -1.938 174.654 176.600 -0.014 0.000 1.007 140 K CA -2.128 54.177 56.287 0.030 0.000 0.928 140 K CB -0.021 32.498 32.500 0.030 0.000 1.013 140 K HN -0.377 7.890 8.250 0.108 0.047 0.473 141 P HA 0.031 4.614 4.420 -0.081 -0.212 0.272 141 P C 0.833 178.121 177.300 -0.020 0.000 1.230 141 P CA -1.234 61.837 63.100 -0.048 0.000 0.788 141 P CB 0.909 32.582 31.700 -0.045 0.000 0.949 142 V N 0.850 120.760 119.914 -0.007 0.000 2.720 142 V HA -0.379 3.761 4.120 0.033 0.000 0.256 142 V C 0.765 176.958 176.094 0.165 0.000 1.082 142 V CA 1.352 63.692 62.300 0.067 0.000 1.101 142 V CB 0.193 32.063 31.823 0.079 0.000 0.693 142 V HN 0.453 8.614 8.190 -0.047 0.000 0.479 143 K N -3.934 116.540 120.400 0.124 0.000 2.281 143 K HA -0.205 4.247 4.320 0.219 0.000 0.203 143 K C 0.396 176.943 176.600 -0.089 0.000 1.046 143 K CA 1.441 57.709 56.287 -0.031 0.000 0.938 143 K CB -0.532 31.760 32.500 -0.346 0.000 0.737 143 K HN -0.109 8.146 8.250 0.073 0.039 0.458 144 I N 0.907 121.459 120.570 -0.029 0.000 2.336 144 I HA -0.009 4.131 4.170 -0.049 0.000 0.292 144 I C -1.134 174.996 176.117 0.021 0.000 0.991 144 I CA -0.217 61.069 61.300 -0.024 0.000 1.227 144 I CB 0.831 38.816 38.000 -0.026 0.000 1.366 144 I HN -0.635 7.407 8.210 -0.007 0.164 0.466 145 G N 3.722 112.536 108.800 0.024 0.000 2.328 145 G HA2 -0.081 3.903 3.960 0.041 0.000 0.299 145 G HA3 -0.081 3.915 3.960 0.060 0.000 0.299 145 G C -1.892 173.034 174.900 0.044 0.000 1.435 145 G CA -0.469 44.657 45.100 0.044 0.000 0.865 145 G HN -0.160 8.135 8.290 0.007 0.000 0.601 146 R N -1.674 118.856 120.500 0.050 0.000 2.843 146 R HA 0.382 4.745 4.340 0.039 0.000 0.232 146 R C -1.232 175.104 176.300 0.059 0.000 1.305 146 R CA -1.679 54.449 56.100 0.047 0.000 1.096 146 R CB 1.762 32.086 30.300 0.041 0.000 1.455 146 R HN 0.060 8.363 8.270 0.055 0.000 0.520 147 D N -0.367 120.065 120.400 0.053 0.000 2.339 147 D HA -0.174 4.504 4.640 0.062 0.000 0.256 147 D C 0.886 177.229 176.300 0.072 0.000 1.214 147 D CA 0.497 54.533 54.000 0.059 0.000 0.877 147 D CB -0.124 40.706 40.800 0.049 0.000 1.111 147 D HN -0.045 8.352 8.370 0.044 0.000 0.478 148 G N 8.036 116.897 108.800 0.101 0.000 2.215 148 G HA2 -0.353 3.723 3.960 0.193 0.000 0.198 148 G HA3 -0.353 3.673 3.960 0.111 0.000 0.198 148 G C -1.239 173.768 174.900 0.178 0.000 1.047 148 G CA -0.013 45.176 45.100 0.148 0.000 0.747 148 G HN 0.702 9.053 8.290 0.102 0.000 0.495 149 Q N -0.338 119.553 119.800 0.152 0.000 2.325 149 Q HA 0.228 4.642 4.340 0.124 0.000 0.262 149 Q C -0.662 175.389 176.000 0.086 0.000 0.968 149 Q CA -1.880 53.995 55.803 0.120 0.000 0.877 149 Q CB 2.309 31.102 28.738 0.092 0.000 1.253 149 Q HN -0.716 7.638 8.270 0.139 0.000 0.448 150 E N 6.470 126.702 120.200 0.053 0.000 2.436 150 E HA -0.063 4.215 4.350 -0.353 -0.139 0.262 150 E C -0.820 175.788 176.600 0.013 0.000 1.063 150 E CA 0.660 57.014 56.400 -0.077 0.000 0.944 150 E CB 0.696 30.404 29.700 0.015 0.000 0.950 150 E HN 0.314 8.732 8.360 0.098 0.000 0.444 151 I N 2.108 122.623 120.570 -0.091 0.000 2.730 151 I HA 0.214 4.275 4.170 -0.181 0.000 0.298 151 I C -0.885 174.910 176.117 -0.538 0.000 1.089 151 I CA -1.384 59.785 61.300 -0.220 0.000 1.041 151 I CB 3.902 41.778 38.000 -0.206 0.000 1.235 151 I HN -0.264 7.843 8.210 -0.170 0.000 0.423 152 E N 3.365 122.958 120.200 -1.012 0.000 2.718 152 E HA -0.140 2.748 4.350 -2.436 0.000 0.263 152 E C 0.865 177.055 176.600 -0.683 0.000 1.434 152 E CA 1.229 56.763 56.400 -1.443 0.000 1.106 152 E CB 1.001 29.896 29.700 -1.340 0.000 1.029 152 E HN 0.207 8.072 8.360 -0.824 0.000 0.631 153 L N 0.092 121.037 121.223 -0.465 0.000 2.121 153 L HA -0.033 4.356 4.340 0.082 0.000 0.200 153 L C 1.754 178.421 176.870 -0.338 0.000 1.077 153 L CA 3.105 57.837 54.840 -0.180 0.000 0.766 153 L CB -0.426 41.620 42.059 -0.020 0.000 0.931 153 L HN 0.347 8.272 8.230 -0.508 0.000 0.452 154 E N -0.861 119.167 120.200 -0.286 0.000 2.085 154 E HA -0.358 3.877 4.350 -0.192 0.000 0.194 154 E C 1.901 178.293 176.600 -0.348 0.000 0.994 154 E CA 3.386 59.635 56.400 -0.252 0.000 0.801 154 E CB -0.524 29.064 29.700 -0.186 0.000 0.743 154 E HN 0.020 8.224 8.360 -0.259 0.000 0.453 155 C N -1.400 117.641 119.300 -0.431 0.000 2.396 155 C HA -0.447 3.801 4.460 -0.354 0.000 0.281 155 C C 2.157 176.816 174.990 -0.552 0.000 1.208 155 C CA 4.288 63.041 59.018 -0.442 0.000 1.754 155 C CB -0.421 27.052 27.740 -0.444 0.000 2.044 155 C HN -0.032 7.929 8.230 -0.449 0.000 0.449 156 G N -2.276 105.987 108.800 -0.894 0.000 2.476 156 G HA2 -0.439 3.049 3.960 -0.787 0.000 0.218 156 G HA3 -0.439 2.092 3.960 -2.382 0.000 0.218 156 G C 0.999 175.382 174.900 -0.862 0.000 1.164 156 G CA 2.379 46.747 45.100 -1.221 0.000 0.768 156 G HN -0.198 7.515 8.290 -0.962 0.000 0.560 157 T N 4.639 118.757 114.554 -0.727 0.000 2.555 157 T HA -0.521 3.724 4.350 -0.174 0.000 0.264 157 T C 2.255 176.822 174.700 -0.222 0.000 1.083 157 T CA 5.033 66.956 62.100 -0.296 0.000 1.179 157 T CB -0.551 68.219 68.868 -0.162 0.000 0.863 157 T HN -0.149 7.569 8.240 -0.870 0.000 0.412 158 Q N 0.808 120.487 119.800 -0.202 0.000 2.077 158 Q HA -0.391 3.909 4.340 -0.066 0.000 0.206 158 Q C 2.591 178.520 176.000 -0.118 0.000 0.989 158 Q CA 3.200 58.935 55.803 -0.113 0.000 0.853 158 Q CB -0.427 28.266 28.738 -0.075 0.000 0.907 158 Q HN -0.156 7.973 8.270 -0.235 0.000 0.418 159 L N -0.879 120.216 121.223 -0.213 0.000 2.081 159 L HA -0.279 3.947 4.340 -0.190 0.000 0.212 159 L C 2.407 179.201 176.870 -0.128 0.000 1.080 159 L CA 2.847 57.547 54.840 -0.232 0.000 0.754 159 L CB -1.128 40.718 42.059 -0.356 0.000 0.893 159 L HN 0.061 8.122 8.230 -0.283 0.000 0.433 160 C N -0.738 118.429 119.300 -0.221 0.000 2.476 160 C HA -0.307 3.871 4.460 -0.471 0.000 0.278 160 C C 2.785 177.800 174.990 0.041 0.000 1.274 160 C CA 3.082 61.929 59.018 -0.285 0.000 1.713 160 C CB -0.680 26.783 27.740 -0.462 0.000 2.039 160 C HN -0.195 7.743 8.230 -0.288 0.119 0.484 161 L N -1.171 120.056 121.223 0.007 0.000 2.079 161 L HA -0.418 3.971 4.340 0.082 0.000 0.210 161 L C 1.620 178.544 176.870 0.089 0.000 1.081 161 L CA 2.635 57.509 54.840 0.057 0.000 0.752 161 L CB -0.638 41.432 42.059 0.017 0.000 0.896 161 L HN -0.333 7.863 8.230 -0.057 0.000 0.433 162 L N -5.192 116.065 121.223 0.057 0.000 2.043 162 L HA -0.354 3.978 4.340 -0.012 0.000 0.212 162 L C 0.829 177.703 176.870 0.006 0.000 1.075 162 L CA 1.946 56.782 54.840 -0.008 0.000 0.752 162 L CB -0.033 41.966 42.059 -0.099 0.000 0.891 162 L HN -0.540 7.691 8.230 0.030 0.018 0.432 163 F N -3.265 116.684 119.950 -0.002 0.000 2.626 163 F HA -0.164 4.398 4.527 0.059 0.000 0.354 163 F C -0.823 175.018 175.800 0.068 0.000 1.168 163 F CA -0.191 57.852 58.000 0.072 0.000 1.368 163 F CB -0.862 38.265 39.000 0.212 0.000 1.092 163 F HN -0.847 7.613 8.300 0.434 0.100 0.612 164 P HA 0.151 4.629 4.420 0.095 0.000 0.273 164 P C -2.398 174.991 177.300 0.149 0.000 1.250 164 P CA -1.508 61.675 63.100 0.139 0.000 0.793 164 P CB -0.372 31.388 31.700 0.099 0.000 1.011 165 P HA 0.051 4.526 4.420 0.091 0.000 0.271 165 P C -1.377 175.964 177.300 0.069 0.000 1.216 165 P CA -0.154 62.994 63.100 0.079 0.000 0.776 165 P CB 0.534 32.265 31.700 0.053 0.000 0.881 166 D N 1.051 121.489 120.400 0.063 0.000 2.217 166 D HA 0.086 4.748 4.640 0.036 0.000 0.243 166 D C -0.647 175.672 176.300 0.032 0.000 1.054 166 D CA -0.586 53.439 54.000 0.042 0.000 0.838 166 D CB 1.733 42.554 40.800 0.034 0.000 1.162 166 D HN 0.049 8.461 8.370 0.070 0.000 0.472 167 E N 2.431 122.643 120.200 0.021 0.000 2.968 167 E HA 0.274 4.636 4.350 0.020 0.000 0.202 167 E C -0.906 175.701 176.600 0.012 0.000 0.979 167 E CA -0.088 56.322 56.400 0.017 0.000 1.192 167 E CB 0.714 30.422 29.700 0.013 0.000 1.059 167 E HN 0.446 8.816 8.360 0.017 0.000 0.470 168 S N -1.265 114.441 115.700 0.010 0.000 3.009 168 S HA 0.054 4.528 4.470 0.007 0.000 0.254 168 S C -1.444 173.162 174.600 0.010 0.000 1.004 168 S CA 0.491 58.694 58.200 0.005 0.000 1.119 168 S CB 0.494 63.689 63.200 -0.008 0.000 1.075 168 S HN -0.005 8.312 8.310 0.011 0.000 0.618 169 I N 0.486 121.069 120.570 0.021 0.000 2.692 169 I HA 0.064 4.254 4.170 0.033 0.000 0.293 169 I C -1.524 174.622 176.117 0.049 0.000 1.200 169 I CA -0.405 60.914 61.300 0.032 0.000 1.036 169 I CB 3.317 41.332 38.000 0.025 0.000 1.258 169 I HN -0.742 7.482 8.210 0.023 0.000 0.421 170 D N 6.320 126.756 120.400 0.061 0.000 2.352 170 D HA 0.104 4.796 4.640 0.086 0.000 0.245 170 D C -0.258 176.102 176.300 0.100 0.000 1.224 170 D CA 0.516 54.567 54.000 0.085 0.000 0.879 170 D CB 0.208 41.062 40.800 0.090 0.000 1.057 170 D HN 0.151 8.555 8.370 0.057 0.000 0.491 171 L N 4.912 126.206 121.223 0.118 0.000 2.127 171 L HA -0.167 4.239 4.340 0.111 0.000 0.203 171 L C 0.984 177.963 176.870 0.183 0.000 1.080 171 L CA 1.516 56.435 54.840 0.133 0.000 0.768 171 L CB 0.479 42.614 42.059 0.127 0.000 0.924 171 L HN 0.274 8.572 8.230 0.112 0.000 0.444 172 Y N -1.548 118.779 120.300 0.044 0.000 2.165 172 Y HA -0.483 4.081 4.550 0.023 0.000 0.286 172 Y C 1.680 177.628 175.900 0.079 0.000 1.155 172 Y CA 3.081 61.203 58.100 0.036 0.000 1.164 172 Y CB -0.392 38.072 38.460 0.007 0.000 0.978 172 Y HN 0.015 8.461 8.280 0.277 0.000 0.513 173 Q N -2.998 116.878 119.800 0.126 0.000 2.197 173 Q HA -0.394 3.995 4.340 0.082 0.000 0.207 173 Q C 2.112 178.135 176.000 0.038 0.000 0.984 173 Q CA 3.161 59.009 55.803 0.075 0.000 0.869 173 Q CB -0.346 28.449 28.738 0.095 0.000 0.906 173 Q HN 0.354 8.740 8.270 0.193 0.000 0.426 174 V N -2.061 117.886 119.914 0.056 0.000 2.667 174 V HA -0.351 3.803 4.120 0.056 0.000 0.252 174 V C 1.333 177.463 176.094 0.059 0.000 1.065 174 V CA 3.013 65.350 62.300 0.062 0.000 1.083 174 V CB 0.040 31.913 31.823 0.083 0.000 0.692 174 V HN -0.555 7.542 8.190 0.082 0.141 0.468 175 I N -1.562 119.021 120.570 0.022 0.000 3.035 175 I HA -0.416 3.846 4.170 0.153 0.000 0.271 175 I C 0.756 176.832 176.117 -0.069 0.000 1.190 175 I CA 2.482 63.797 61.300 0.025 0.000 1.472 175 I CB 0.133 38.116 38.000 -0.029 0.000 1.116 175 I HN -0.291 7.752 8.210 -0.010 0.161 0.443 176 H N 1.590 120.463 119.070 -0.328 0.000 2.389 176 H HA -0.422 3.873 4.556 -0.434 0.000 0.299 176 H C 1.692 176.937 175.328 -0.139 0.000 1.081 176 H CA 3.539 59.383 56.048 -0.340 0.000 1.345 176 H CB 0.614 30.160 29.762 -0.360 0.000 1.393 176 H HN 0.380 8.476 8.280 -0.160 0.088 0.520 177 K N -2.514 117.854 120.400 -0.054 0.000 2.148 177 K HA -0.199 4.042 4.320 -0.132 0.000 0.204 177 K C 1.498 178.111 176.600 0.022 0.000 1.050 177 K CA 2.782 59.035 56.287 -0.056 0.000 0.942 177 K CB -0.450 32.039 32.500 -0.019 0.000 0.724 177 K HN -0.615 7.623 8.250 -0.019 0.000 0.446 178 M N -0.572 119.056 119.600 0.047 0.000 2.062 178 M HA -0.213 4.304 4.480 0.062 0.000 0.259 178 M C 2.232 178.579 176.300 0.078 0.000 1.076 178 M CA 2.598 57.938 55.300 0.067 0.000 1.122 178 M CB 0.015 32.668 32.600 0.089 0.000 1.312 178 M HN -0.451 7.752 8.290 0.043 0.113 0.412 179 R N -3.087 117.455 120.500 0.070 0.000 2.117 179 R HA -0.203 4.188 4.340 0.085 0.000 0.243 179 R C 1.119 177.509 176.300 0.150 0.000 1.143 179 R CA 2.293 58.427 56.100 0.057 0.000 0.968 179 R CB -0.032 30.230 30.300 -0.063 0.000 0.863 179 R HN -0.599 7.706 8.270 0.059 0.000 0.444 180 H N 0.000 119.102 119.070 0.054 0.000 2.539 180 H HA 0.000 4.576 4.556 0.034 0.000 0.296 180 H CA 0.000 56.060 56.048 0.019 0.000 1.023 180 H CB 0.000 29.762 29.762 -0.000 0.000 1.292 180 H HN 0.000 8.333 8.280 0.117 0.017 0.496