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 3g3j_1_A DATA FIRST_RESID 3 DATA SEQUENCE NRSLIVTTIL EEPYVLFKKS DKPLYGNDRF EGYCIDLLRE LSTHLGFTYE DATA SEQUENCE IRLVEDGKYG AQDDVNGQWN GMVRELIDHK ADLAVAPLAI TYVREEVIDF DATA SEQUENCE SKPFMTLGIS ILYRKGTPID SADDLAKQTK IEYGAVEDGA TMTFFKRSKI DATA SEQUENCE STYDKMWAFM SSRRQSVLVK SNEEGIQRVL TSDYAFLMES TTIEFVTQRN DATA SEQUENCE cNLTQIGGLI DSKGYGVGTP MGSPYRDKIT LAILKLQEEG KLHMMKEKWW DATA SEQUENCE RXXGcPE 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 3 N HA 0.000 4.769 4.740 0.049 0.000 0.220 3 N C 0.000 175.546 175.510 0.059 0.000 1.280 3 N CA 0.000 53.085 53.050 0.058 0.000 0.885 3 N CB 0.000 38.537 38.487 0.083 0.000 1.341 4 R N 1.218 121.753 120.500 0.057 0.000 2.522 4 R HA 0.008 4.370 4.340 0.036 0.000 0.284 4 R C -0.303 176.031 176.300 0.056 0.000 1.032 4 R CA 0.108 56.236 56.100 0.046 0.000 1.049 4 R CB 0.695 31.017 30.300 0.037 0.000 0.956 4 R HN 0.179 8.484 8.270 0.058 0.000 0.422 5 S N 2.946 118.674 115.700 0.046 0.000 2.531 5 S HA -0.167 4.461 4.470 0.107 -0.094 0.279 5 S C 0.104 174.720 174.600 0.027 0.000 1.305 5 S CA 0.262 58.500 58.200 0.063 0.000 1.058 5 S CB 0.644 63.868 63.200 0.040 0.000 0.899 5 S HN 0.029 8.360 8.310 0.035 0.000 0.493 6 L N 5.287 126.512 121.223 0.003 0.000 2.453 6 L HA -0.143 4.230 4.340 -0.161 -0.130 0.272 6 L C -0.111 176.724 176.870 -0.058 0.000 1.182 6 L CA 0.186 54.943 54.840 -0.138 0.000 0.858 6 L CB 0.309 42.108 42.059 -0.434 0.000 1.120 6 L HN 0.135 8.402 8.230 0.062 0.000 0.474 7 I N 3.285 123.799 120.570 -0.093 0.000 2.396 7 I HA 0.104 4.407 4.170 -0.021 -0.146 0.289 7 I C -0.322 175.726 176.117 -0.115 0.000 1.056 7 I CA -2.169 59.092 61.300 -0.065 0.000 1.365 7 I CB -1.348 36.617 38.000 -0.059 0.000 1.407 7 I HN 0.368 8.856 8.210 -0.117 -0.348 0.509 8 V N 8.905 128.765 119.914 -0.089 0.000 2.357 8 V HA 0.443 4.662 4.120 -0.179 -0.207 0.284 8 V C -0.958 175.044 176.094 -0.153 0.000 1.018 8 V CA -1.542 60.670 62.300 -0.147 0.000 0.841 8 V CB 1.765 33.492 31.823 -0.159 0.000 0.991 8 V HN 0.607 8.771 8.190 -0.042 0.000 0.437 9 T N 8.701 123.158 114.554 -0.161 0.000 2.909 9 T HA 0.753 5.246 4.350 -0.156 -0.237 0.289 9 T C -0.747 173.834 174.700 -0.198 0.000 1.005 9 T CA -0.963 61.039 62.100 -0.162 0.000 1.084 9 T CB 0.921 69.708 68.868 -0.135 0.000 0.975 9 T HN 0.302 8.444 8.240 -0.163 0.000 0.509 10 T N 4.720 119.136 114.554 -0.229 0.000 2.665 10 T HA 0.365 4.572 4.350 -0.239 0.000 0.303 10 T C -2.657 171.878 174.700 -0.274 0.000 1.334 10 T CA -2.046 59.895 62.100 -0.265 0.000 1.011 10 T CB 1.776 70.447 68.868 -0.328 0.000 1.573 10 T HN -0.350 7.759 8.240 -0.219 0.000 0.492 11 I N -0.346 120.050 120.570 -0.292 0.000 2.827 11 I HA 0.214 4.236 4.170 -0.247 0.000 0.298 11 I C -2.620 173.364 176.117 -0.221 0.000 1.235 11 I CA -1.485 59.642 61.300 -0.289 0.000 1.021 11 I CB 4.036 41.748 38.000 -0.479 0.000 1.259 11 I HN 0.157 8.199 8.210 -0.280 0.000 0.427 12 L N 4.462 125.584 121.223 -0.169 0.000 2.410 12 L HA -0.049 4.321 4.340 -0.155 -0.122 0.273 12 L C -0.924 175.922 176.870 -0.040 0.000 1.144 12 L CA 0.160 54.924 54.840 -0.127 0.000 0.863 12 L CB 0.210 42.198 42.059 -0.118 0.000 1.140 12 L HN 0.178 8.315 8.230 -0.154 0.000 0.463 13 E N 3.937 124.132 120.200 -0.008 0.000 2.454 13 E HA 0.141 4.549 4.350 0.097 0.000 0.315 13 E C -2.188 174.441 176.600 0.049 0.000 0.907 13 E CA -0.821 55.633 56.400 0.091 0.000 0.797 13 E CB 3.452 33.262 29.700 0.182 0.000 1.396 13 E HN 0.160 8.496 8.360 -0.040 0.000 0.389 14 E N 5.823 125.981 120.200 -0.070 0.000 2.360 14 E HA 0.021 4.154 4.350 -0.363 0.000 0.269 14 E C -1.175 174.970 176.600 -0.758 0.000 1.022 14 E CA -2.504 53.688 56.400 -0.347 0.000 0.887 14 E CB 0.888 30.440 29.700 -0.247 0.000 0.990 14 E HN 0.245 8.591 8.360 -0.024 0.000 0.426 15 P HA 0.281 4.253 4.420 -0.747 0.000 0.266 15 P C -0.481 176.309 177.300 -0.849 0.000 1.561 15 P CA -0.094 62.361 63.100 -1.075 0.000 1.089 15 P CB 0.278 31.159 31.700 -1.365 0.000 1.534 16 Y N 0.581 120.621 120.300 -0.434 0.000 2.206 16 Y HA -0.114 4.321 4.550 -0.191 0.000 0.292 16 Y C 0.197 175.906 175.900 -0.318 0.000 1.123 16 Y CA 4.023 61.965 58.100 -0.264 0.000 1.142 16 Y CB 0.733 39.118 38.460 -0.124 0.000 1.006 16 Y HN -0.334 7.584 8.280 -0.480 0.075 0.518 17 V N -3.447 116.395 119.914 -0.121 0.000 2.655 17 V HA 0.395 4.542 4.120 -0.191 -0.142 0.301 17 V C -1.901 174.109 176.094 -0.141 0.000 1.082 17 V CA -0.662 61.544 62.300 -0.157 0.000 0.899 17 V CB 2.397 34.126 31.823 -0.157 0.000 1.014 17 V HN -0.430 7.710 8.190 -0.083 0.000 0.429 18 L N 3.869 125.024 121.223 -0.112 0.000 2.376 18 L HA 0.434 4.712 4.340 -0.103 0.000 0.258 18 L C -1.423 175.437 176.870 -0.016 0.000 1.013 18 L CA -1.162 53.636 54.840 -0.071 0.000 0.822 18 L CB 4.098 46.144 42.059 -0.022 0.000 1.388 18 L HN 0.495 8.665 8.230 -0.099 0.000 0.413 19 F N 0.685 120.652 119.950 0.029 0.000 2.467 19 F HA 0.170 4.770 4.527 -0.175 -0.178 0.362 19 F C 1.055 176.830 175.800 -0.042 0.000 1.090 19 F CA -0.203 57.748 58.000 -0.083 0.000 1.202 19 F CB 0.747 39.677 39.000 -0.117 0.000 1.113 19 F HN 0.132 8.446 8.300 0.022 0.000 0.541 20 K N 5.003 125.499 120.400 0.160 0.000 2.489 20 K HA -0.209 4.341 4.320 0.124 -0.156 0.278 20 K C -0.051 176.586 176.600 0.062 0.000 1.000 20 K CA 0.834 57.183 56.287 0.103 0.000 1.012 20 K CB 0.401 32.942 32.500 0.069 0.000 0.903 20 K HN -0.022 8.309 8.250 0.136 0.000 0.485 21 K N 3.916 124.352 120.400 0.060 0.000 2.276 21 K HA 0.029 4.356 4.320 0.011 0.000 0.283 21 K C -0.720 175.882 176.600 0.003 0.000 1.044 21 K CA 0.634 56.937 56.287 0.026 0.000 0.944 21 K CB 0.388 32.911 32.500 0.039 0.000 1.012 21 K HN 0.368 8.664 8.250 0.078 0.000 0.472 22 S N 3.010 118.695 115.700 -0.025 0.000 2.595 22 S HA 0.187 4.648 4.470 -0.016 0.000 0.270 22 S C -0.729 173.844 174.600 -0.046 0.000 1.145 22 S CA -1.181 57.001 58.200 -0.030 0.000 0.825 22 S CB 2.040 65.218 63.200 -0.037 0.000 1.107 22 S HN 0.134 8.420 8.310 -0.040 0.000 0.461 23 D N 0.681 121.059 120.400 -0.036 0.000 2.162 23 D HA 0.047 4.661 4.640 -0.044 0.000 0.205 23 D C 0.201 176.472 176.300 -0.049 0.000 0.964 23 D CA 1.199 55.176 54.000 -0.039 0.000 0.847 23 D CB 0.419 41.205 40.800 -0.023 0.000 0.988 23 D HN 0.264 8.619 8.370 -0.026 0.000 0.480 24 K N 1.655 122.030 120.400 -0.041 0.000 2.382 24 K HA 0.087 4.389 4.320 -0.030 0.000 0.275 24 K C -2.272 174.268 176.600 -0.099 0.000 1.009 24 K CA -1.446 54.817 56.287 -0.041 0.000 0.970 24 K CB 0.290 32.784 32.500 -0.010 0.000 0.934 24 K HN -0.304 7.928 8.250 -0.031 0.000 0.479 25 P HA -0.054 4.176 4.420 -0.316 0.000 0.268 25 P C -1.432 175.621 177.300 -0.412 0.000 1.205 25 P CA -0.041 62.872 63.100 -0.312 0.000 0.771 25 P CB 0.552 32.049 31.700 -0.338 0.000 0.858 26 L N 0.742 121.652 121.223 -0.521 0.000 2.334 26 L HA 0.221 4.415 4.340 -0.244 0.000 0.272 26 L C -1.019 175.450 176.870 -0.669 0.000 1.020 26 L CA -1.331 53.262 54.840 -0.412 0.000 0.812 26 L CB 2.076 43.999 42.059 -0.226 0.000 1.264 26 L HN -0.217 7.710 8.230 -0.505 0.000 0.439 27 Y N -0.416 119.856 120.300 -0.047 0.000 2.512 27 Y HA 0.115 4.643 4.550 -0.036 0.000 0.348 27 Y C 0.538 176.444 175.900 0.009 0.000 0.990 27 Y CA -0.577 57.508 58.100 -0.025 0.000 1.033 27 Y CB 3.147 41.597 38.460 -0.015 0.000 1.259 27 Y HN 0.138 8.454 8.280 0.060 0.000 0.461 28 G N 1.929 110.845 108.800 0.194 0.000 2.582 28 G HA2 -0.512 3.568 3.960 0.200 0.000 0.288 28 G HA3 -0.512 3.547 3.960 0.164 0.000 0.288 28 G C 0.843 175.885 174.900 0.236 0.000 1.247 28 G CA 0.919 46.133 45.100 0.190 0.000 0.972 28 G HN 0.191 8.599 8.290 0.197 0.000 0.557 29 N N 3.072 121.909 118.700 0.229 0.000 2.381 29 N HA -0.219 4.832 4.740 0.517 0.000 0.182 29 N C 1.654 177.337 175.510 0.288 0.000 1.025 29 N CA 2.185 55.432 53.050 0.329 0.000 0.888 29 N CB -0.546 38.065 38.487 0.206 0.000 0.965 29 N HN 0.286 8.763 8.380 0.161 0.000 0.438 30 D N 0.853 121.347 120.400 0.157 0.000 2.351 30 D HA -0.196 4.515 4.640 0.117 0.000 0.216 30 D C 1.382 177.705 176.300 0.040 0.000 0.968 30 D CA 1.869 55.930 54.000 0.103 0.000 0.899 30 D CB -0.235 40.612 40.800 0.080 0.000 0.907 30 D HN -0.555 7.866 8.370 0.138 0.032 0.514 31 R N -2.556 117.908 120.500 -0.061 0.000 2.189 31 R HA -0.244 3.985 4.340 -0.186 0.000 0.218 31 R C -0.169 175.977 176.300 -0.256 0.000 1.074 31 R CA 2.488 58.428 56.100 -0.267 0.000 0.991 31 R CB 0.442 30.415 30.300 -0.545 0.000 0.883 31 R HN -0.658 7.545 8.270 -0.029 0.049 0.457 32 F N -3.863 116.170 119.950 0.139 0.000 2.507 32 F HA 0.795 5.540 4.527 0.053 -0.187 0.327 32 F C -1.240 174.583 175.800 0.039 0.000 1.068 32 F CA -1.679 56.357 58.000 0.059 0.000 0.965 32 F CB 3.147 42.143 39.000 -0.008 0.000 1.192 32 F HN -0.716 7.652 8.300 0.191 0.047 0.476 33 E N -2.627 117.677 120.200 0.173 0.000 2.458 33 E HA 0.359 4.767 4.350 0.097 0.000 0.278 33 E C -2.061 174.393 176.600 -0.243 0.000 1.004 33 E CA -1.816 54.626 56.400 0.071 0.000 0.823 33 E CB 3.719 33.552 29.700 0.222 0.000 1.396 33 E HN 0.364 8.813 8.360 0.147 0.000 0.463 34 G N -2.885 105.489 108.800 -0.710 0.000 2.347 34 G HA2 -0.198 1.976 3.960 -2.976 0.000 0.477 34 G HA3 -0.198 3.301 3.960 -0.997 -0.137 0.477 34 G C -1.392 172.661 174.900 -1.411 0.000 1.349 34 G CA -0.422 43.713 45.100 -1.608 0.000 1.000 34 G HN -0.244 7.760 8.290 -0.476 0.000 0.605 35 Y N 0.873 120.236 120.300 -1.562 0.000 2.114 35 Y HA -0.326 3.896 4.550 -0.546 0.000 0.282 35 Y C 1.200 176.933 175.900 -0.278 0.000 1.165 35 Y CA 4.002 61.716 58.100 -0.643 0.000 1.148 35 Y CB 0.676 39.082 38.460 -0.089 0.000 0.972 35 Y HN -0.224 7.262 8.280 -1.324 0.000 0.504 36 C N -3.661 115.636 119.300 -0.005 0.000 2.446 36 C HA -0.412 3.969 4.460 -0.131 0.000 0.279 36 C C 1.394 176.249 174.990 -0.225 0.000 1.366 36 C CA 4.279 63.243 59.018 -0.091 0.000 1.763 36 C CB -0.382 27.349 27.740 -0.015 0.000 1.929 36 C HN -0.226 7.909 8.230 0.025 0.110 0.509 37 I N 0.900 121.335 120.570 -0.226 0.000 2.286 37 I HA -0.367 3.697 4.170 -0.177 0.000 0.245 37 I C 1.765 177.804 176.117 -0.131 0.000 1.104 37 I CA 2.252 63.453 61.300 -0.165 0.000 1.397 37 I CB -1.015 36.933 38.000 -0.086 0.000 1.072 37 I HN -0.826 7.140 8.210 -0.261 0.088 0.417 38 D N -0.096 120.227 120.400 -0.128 0.000 2.144 38 D HA -0.281 4.358 4.640 -0.001 0.000 0.199 38 D C 2.460 178.660 176.300 -0.167 0.000 0.984 38 D CA 3.448 57.408 54.000 -0.067 0.000 0.834 38 D CB -0.297 40.528 40.800 0.041 0.000 0.955 38 D HN -0.186 8.083 8.370 -0.168 0.000 0.465 39 L N 0.657 121.693 121.223 -0.312 0.000 2.017 39 L HA -0.251 3.918 4.340 -0.286 0.000 0.208 39 L C 1.445 178.179 176.870 -0.228 0.000 1.073 39 L CA 2.883 57.526 54.840 -0.328 0.000 0.745 39 L CB -0.187 41.568 42.059 -0.506 0.000 0.894 39 L HN -0.323 7.674 8.230 -0.387 0.000 0.432 40 L N -1.393 119.678 121.223 -0.253 0.000 2.042 40 L HA -0.421 3.779 4.340 -0.233 0.000 0.210 40 L C 1.552 178.258 176.870 -0.272 0.000 1.076 40 L CA 3.243 57.912 54.840 -0.286 0.000 0.749 40 L CB -0.697 41.115 42.059 -0.412 0.000 0.893 40 L HN -0.184 7.884 8.230 -0.270 0.000 0.432 41 R N -1.297 119.104 120.500 -0.165 0.000 2.081 41 R HA -0.405 3.934 4.340 -0.001 0.000 0.235 41 R C 2.086 178.332 176.300 -0.090 0.000 1.131 41 R CA 3.143 59.208 56.100 -0.058 0.000 0.960 41 R CB -0.259 30.050 30.300 0.016 0.000 0.856 41 R HN -0.384 7.801 8.270 -0.142 0.000 0.436 42 E N -1.367 118.793 120.200 -0.066 0.000 2.077 42 E HA -0.286 4.050 4.350 -0.024 0.000 0.193 42 E C 2.731 179.361 176.600 0.052 0.000 0.989 42 E CA 2.713 59.118 56.400 0.008 0.000 0.800 42 E CB -0.396 29.346 29.700 0.070 0.000 0.746 42 E HN -0.614 7.702 8.360 -0.073 0.000 0.452 43 L N -1.716 119.500 121.223 -0.012 0.000 2.046 43 L HA -0.419 3.995 4.340 0.124 0.000 0.208 43 L C 2.165 178.897 176.870 -0.230 0.000 1.077 43 L CA 3.512 58.369 54.840 0.028 0.000 0.747 43 L CB -0.582 41.550 42.059 0.121 0.000 0.896 43 L HN 0.203 8.402 8.230 -0.052 0.000 0.432 44 S N -1.125 114.226 115.700 -0.582 0.000 2.382 44 S HA -0.294 2.680 4.470 -2.493 0.000 0.228 44 S C 2.345 176.613 174.600 -0.554 0.000 1.027 44 S CA 3.541 61.047 58.200 -1.158 0.000 0.991 44 S CB -0.576 62.245 63.200 -0.632 0.000 0.823 44 S HN 0.112 8.175 8.310 -0.412 0.000 0.469 45 T N -0.390 113.978 114.554 -0.310 0.000 2.978 45 T HA -0.109 4.112 4.350 -0.216 0.000 0.262 45 T C 1.612 176.168 174.700 -0.240 0.000 1.063 45 T CA 2.617 64.562 62.100 -0.257 0.000 1.140 45 T CB 0.271 68.979 68.868 -0.265 0.000 0.886 45 T HN -0.612 7.468 8.240 -0.267 0.000 0.470 46 H N -0.071 118.950 119.070 -0.082 0.000 2.395 46 H HA -0.049 4.499 4.556 -0.013 0.000 0.299 46 H C 1.003 176.339 175.328 0.015 0.000 1.070 46 H CA 2.699 58.735 56.048 -0.021 0.000 1.356 46 H CB 0.739 30.501 29.762 -0.000 0.000 1.401 46 H HN -0.353 7.866 8.280 -0.102 0.000 0.524 47 L N -4.824 116.478 121.223 0.133 0.000 2.590 47 L HA 0.167 4.629 4.340 0.203 0.000 0.227 47 L C 0.116 177.104 176.870 0.197 0.000 1.099 47 L CA 0.148 55.120 54.840 0.221 0.000 0.872 47 L CB 1.032 43.355 42.059 0.439 0.000 1.088 47 L HN -0.416 7.844 8.230 0.050 0.000 0.479 48 G N -1.202 107.619 108.800 0.035 0.000 2.368 48 G HA2 -0.305 3.670 3.960 -0.032 0.000 0.290 48 G HA3 -0.305 3.700 3.960 0.075 0.000 0.290 48 G C -0.678 174.315 174.900 0.154 0.000 1.098 48 G CA 0.200 45.325 45.100 0.041 0.000 1.073 48 G HN -0.509 7.737 8.290 -0.074 0.000 0.511 49 F N -2.352 117.663 119.950 0.109 0.000 2.603 49 F HA 0.552 5.135 4.527 0.094 0.000 0.317 49 F C -2.069 173.802 175.800 0.117 0.000 1.066 49 F CA -2.949 55.116 58.000 0.108 0.000 0.941 49 F CB 2.401 41.463 39.000 0.103 0.000 1.291 49 F HN -0.751 7.310 8.300 -0.397 0.000 0.472 50 T N -3.656 111.099 114.554 0.334 0.000 2.952 50 T HA 0.403 4.792 4.350 0.064 0.000 0.286 50 T C -1.840 173.072 174.700 0.354 0.000 1.024 50 T CA -2.156 60.046 62.100 0.170 0.000 1.029 50 T CB 2.141 71.013 68.868 0.008 0.000 1.094 50 T HN 0.212 8.645 8.240 0.322 0.000 0.515 51 Y N -4.871 115.521 120.300 0.153 0.000 2.624 51 Y HA 0.746 5.589 4.550 0.077 -0.247 0.334 51 Y C -2.293 173.640 175.900 0.056 0.000 1.155 51 Y CA -1.860 56.309 58.100 0.115 0.000 1.046 51 Y CB 3.145 41.717 38.460 0.187 0.000 1.316 51 Y HN -0.122 7.905 8.280 -0.421 0.000 0.457 52 E N 1.482 121.801 120.200 0.199 0.000 2.216 52 E HA 0.382 4.941 4.350 0.111 -0.143 0.260 52 E C -1.149 175.536 176.600 0.141 0.000 0.880 52 E CA -2.025 54.453 56.400 0.131 0.000 0.765 52 E CB 3.957 33.697 29.700 0.067 0.000 1.174 52 E HN 0.209 8.686 8.360 0.195 0.000 0.417 53 I N 7.240 127.899 120.570 0.149 0.000 2.441 53 I HA 0.107 4.394 4.170 -0.077 -0.163 0.287 53 I C -0.101 175.997 176.117 -0.032 0.000 1.049 53 I CA 0.652 61.933 61.300 -0.032 0.000 1.381 53 I CB 0.231 38.096 38.000 -0.225 0.000 1.409 53 I HN 0.302 8.979 8.210 0.202 -0.346 0.523 54 R N 7.135 127.578 120.500 -0.096 0.000 2.502 54 R HA 0.362 4.731 4.340 0.049 0.000 0.300 54 R C -1.526 174.720 176.300 -0.090 0.000 0.984 54 R CA -1.847 54.236 56.100 -0.029 0.000 0.882 54 R CB 3.062 33.358 30.300 -0.007 0.000 1.180 54 R HN 0.488 8.675 8.270 -0.138 0.000 0.444 55 L N 3.937 125.138 121.223 -0.037 0.000 2.499 55 L HA -0.061 4.359 4.340 -0.148 -0.169 0.273 55 L C 0.591 177.430 176.870 -0.052 0.000 1.195 55 L CA 0.052 54.853 54.840 -0.066 0.000 0.882 55 L CB 0.559 42.632 42.059 0.023 0.000 1.133 55 L HN 0.376 8.641 8.230 0.057 0.000 0.483 56 V N 3.903 123.760 119.914 -0.094 0.000 2.539 56 V HA -0.279 3.976 4.120 -0.064 -0.173 0.300 56 V C 1.198 177.272 176.094 -0.035 0.000 1.019 56 V CA 0.760 63.015 62.300 -0.075 0.000 1.160 56 V CB 0.974 32.730 31.823 -0.112 0.000 0.901 56 V HN 0.094 8.203 8.190 -0.134 0.000 0.481 57 E N 7.740 127.933 120.200 -0.012 0.000 2.077 57 E HA -0.337 4.023 4.350 0.016 0.000 0.193 57 E C 0.319 176.926 176.600 0.011 0.000 0.989 57 E CA 3.033 59.438 56.400 0.009 0.000 0.800 57 E CB 0.070 29.780 29.700 0.016 0.000 0.746 57 E HN 0.707 9.060 8.360 -0.012 0.000 0.452 58 D N -5.096 115.309 120.400 0.008 0.000 2.363 58 D HA -0.128 4.526 4.640 0.023 0.000 0.226 58 D C 0.740 177.048 176.300 0.014 0.000 1.020 58 D CA -0.296 53.715 54.000 0.018 0.000 0.892 58 D CB -0.839 39.979 40.800 0.030 0.000 0.900 58 D HN -0.530 7.841 8.370 0.002 0.000 0.531 59 G N -0.044 108.750 108.800 -0.011 0.000 2.179 59 G HA2 -0.524 3.403 3.960 -0.055 0.000 0.257 59 G HA3 -0.524 3.436 3.960 0.001 0.000 0.257 59 G C -1.020 173.862 174.900 -0.029 0.000 1.010 59 G CA 0.676 45.761 45.100 -0.025 0.000 0.736 59 G HN -0.420 7.654 8.290 -0.023 0.202 0.513 60 K N -1.839 118.543 120.400 -0.030 0.000 2.267 60 K HA 0.349 4.717 4.320 0.080 0.000 0.246 60 K C -0.761 175.816 176.600 -0.039 0.000 0.954 60 K CA -2.225 54.080 56.287 0.030 0.000 0.824 60 K CB 2.529 35.087 32.500 0.098 0.000 1.167 60 K HN -0.788 7.647 8.250 -0.031 -0.204 0.431 61 Y N -0.129 120.212 120.300 0.067 0.000 2.153 61 Y HA -0.186 4.385 4.550 0.036 0.000 0.289 61 Y C 0.195 176.162 175.900 0.112 0.000 1.119 61 Y CA 2.769 60.909 58.100 0.067 0.000 1.116 61 Y CB 1.154 39.655 38.460 0.070 0.000 1.004 61 Y HN 0.387 8.897 8.280 0.384 0.000 0.501 62 G N -6.790 102.214 108.800 0.339 0.000 2.350 62 G HA2 -0.134 4.316 3.960 0.308 0.000 0.274 62 G HA3 -0.134 4.094 3.960 0.382 -0.039 0.274 62 G C -3.092 172.078 174.900 0.449 0.000 1.621 62 G CA -0.058 45.260 45.100 0.364 0.000 0.935 62 G HN -0.523 7.981 8.290 0.357 0.000 0.694 63 A N 3.113 126.109 122.820 0.293 0.000 2.566 63 A HA 0.491 4.789 4.320 -0.037 0.000 0.292 63 A C -2.416 174.859 177.584 -0.515 0.000 1.112 63 A CA -0.958 51.047 52.037 -0.054 0.000 0.707 63 A CB 3.825 22.808 19.000 -0.029 0.000 1.302 63 A HN 0.287 8.871 8.150 0.240 -0.291 0.409 64 Q N 0.341 119.533 119.800 -1.014 0.000 2.257 64 Q HA 0.088 3.932 4.340 -1.109 -0.169 0.255 64 Q C -0.850 174.875 176.000 -0.459 0.000 0.920 64 Q CA -1.118 54.052 55.803 -1.054 0.000 0.927 64 Q CB 1.993 29.956 28.738 -1.292 0.000 1.229 64 Q HN 0.321 8.032 8.270 -0.932 0.000 0.433 65 D N 5.927 126.143 120.400 -0.307 0.000 2.383 65 D HA -0.092 4.477 4.640 -0.120 0.000 0.252 65 D C 0.390 176.611 176.300 -0.132 0.000 1.166 65 D CA 0.629 54.537 54.000 -0.153 0.000 0.879 65 D CB 1.950 42.695 40.800 -0.091 0.000 1.164 65 D HN 0.096 8.278 8.370 -0.314 0.000 0.462 66 D N 4.925 125.275 120.400 -0.083 0.000 2.317 66 D HA -0.172 4.418 4.640 -0.084 0.000 0.211 66 D C 0.363 176.641 176.300 -0.036 0.000 0.966 66 D CA 2.096 56.060 54.000 -0.060 0.000 0.876 66 D CB -0.194 40.592 40.800 -0.022 0.000 0.927 66 D HN 0.103 8.437 8.370 -0.060 0.000 0.519 67 V N -0.718 119.179 119.914 -0.029 0.000 2.581 67 V HA -0.067 4.046 4.120 -0.012 0.000 0.240 67 V C 0.741 176.824 176.094 -0.018 0.000 1.054 67 V CA 1.384 63.674 62.300 -0.016 0.000 1.076 67 V CB 1.088 32.907 31.823 -0.006 0.000 0.748 67 V HN -0.414 7.956 8.190 -0.031 -0.198 0.474 68 N N -1.932 116.754 118.700 -0.025 0.000 2.220 68 N HA 0.016 4.750 4.740 -0.010 0.000 0.195 68 N C 1.137 176.633 175.510 -0.024 0.000 1.123 68 N CA -0.381 52.659 53.050 -0.017 0.000 0.874 68 N CB 0.776 39.258 38.487 -0.008 0.000 0.995 68 N HN -0.440 8.203 8.380 -0.031 -0.281 0.498 69 G N 0.530 109.297 108.800 -0.056 0.000 2.162 69 G HA2 -0.428 3.555 3.960 -0.119 0.000 0.260 69 G HA3 -0.428 3.510 3.960 -0.038 0.000 0.260 69 G C -0.298 174.555 174.900 -0.078 0.000 0.976 69 G CA 0.713 45.768 45.100 -0.075 0.000 0.655 69 G HN -0.381 7.867 8.290 -0.070 0.000 0.533 70 Q N -0.247 119.518 119.800 -0.057 0.000 2.299 70 Q HA 0.029 4.419 4.340 0.084 0.000 0.246 70 Q C -0.366 175.597 176.000 -0.062 0.000 0.935 70 Q CA -0.244 55.567 55.803 0.012 0.000 0.887 70 Q CB 1.409 30.169 28.738 0.037 0.000 1.223 70 Q HN -0.198 8.336 8.270 -0.054 -0.296 0.439 71 W N 0.908 122.216 121.300 0.013 0.000 2.283 71 W HA 0.335 5.205 4.660 0.022 -0.197 0.341 71 W C 0.151 176.681 176.519 0.019 0.000 1.206 71 W CA -0.017 57.338 57.345 0.017 0.000 1.294 71 W CB 1.671 31.138 29.460 0.011 0.000 1.154 71 W HN 0.367 8.790 8.180 0.404 0.000 0.613 72 N N -2.560 116.316 118.700 0.294 0.000 3.091 72 N HA 0.146 4.981 4.740 0.158 0.000 0.329 72 N C 0.047 175.671 175.510 0.191 0.000 1.430 72 N CA -1.825 51.337 53.050 0.186 0.000 0.755 72 N CB 1.873 40.429 38.487 0.115 0.000 1.626 72 N HN -0.264 8.317 8.380 0.335 0.000 0.614 73 G N -2.156 106.712 108.800 0.113 0.000 2.601 73 G HA2 -0.451 3.805 3.960 0.036 0.000 0.252 73 G HA3 -0.451 3.735 3.960 0.102 -0.165 0.252 73 G C 0.383 175.300 174.900 0.028 0.000 1.294 73 G CA 0.609 45.752 45.100 0.072 0.000 0.912 73 G HN -0.029 8.727 8.290 0.090 -0.412 0.574 74 M N 1.937 121.529 119.600 -0.013 0.000 2.213 74 M HA -0.406 4.029 4.480 -0.074 0.000 0.263 74 M C 2.303 178.562 176.300 -0.068 0.000 1.062 74 M CA 3.935 59.199 55.300 -0.061 0.000 1.105 74 M CB 0.195 32.737 32.600 -0.095 0.000 1.385 74 M HN -0.343 7.936 8.290 -0.018 0.000 0.417 75 V N -0.715 119.179 119.914 -0.034 0.000 2.287 75 V HA -0.581 3.400 4.120 -0.231 0.000 0.248 75 V C 1.522 177.534 176.094 -0.138 0.000 1.053 75 V CA 4.140 66.349 62.300 -0.151 0.000 1.027 75 V CB -0.412 31.291 31.823 -0.200 0.000 0.646 75 V HN -0.568 7.632 8.190 0.035 0.011 0.447 76 R N -1.012 119.497 120.500 0.014 0.000 2.096 76 R HA -0.353 4.010 4.340 0.039 0.000 0.235 76 R C 1.824 178.121 176.300 -0.004 0.000 1.127 76 R CA 2.648 58.776 56.100 0.047 0.000 0.968 76 R CB -0.858 29.523 30.300 0.134 0.000 0.861 76 R HN -0.682 7.643 8.270 0.091 0.000 0.440 77 E N -0.323 119.863 120.200 -0.024 0.000 2.118 77 E HA -0.339 4.000 4.350 -0.019 0.000 0.195 77 E C 2.454 179.011 176.600 -0.070 0.000 0.992 77 E CA 3.256 59.631 56.400 -0.041 0.000 0.804 77 E CB -0.237 29.427 29.700 -0.059 0.000 0.741 77 E HN -0.671 7.676 8.360 -0.022 0.000 0.458 78 L N -1.384 119.767 121.223 -0.121 0.000 2.044 78 L HA -0.206 4.020 4.340 -0.191 0.000 0.205 78 L C 3.163 179.962 176.870 -0.118 0.000 1.075 78 L CA 2.804 57.539 54.840 -0.174 0.000 0.747 78 L CB 0.063 41.975 42.059 -0.245 0.000 0.903 78 L HN -0.605 7.546 8.230 -0.132 0.000 0.435 79 I N -0.363 120.146 120.570 -0.101 0.000 2.194 79 I HA -0.467 3.683 4.170 -0.033 0.000 0.246 79 I C 1.578 177.756 176.117 0.103 0.000 1.093 79 I CA 3.644 64.927 61.300 -0.030 0.000 1.355 79 I CB -0.131 37.822 38.000 -0.078 0.000 1.046 79 I HN -0.163 7.964 8.210 -0.138 0.000 0.413 80 D N -4.299 116.145 120.400 0.073 0.000 2.340 80 D HA 0.058 4.739 4.640 0.069 0.000 0.220 80 D C -0.781 175.622 176.300 0.172 0.000 1.039 80 D CA 0.423 54.475 54.000 0.088 0.000 0.866 80 D CB -0.078 40.749 40.800 0.046 0.000 0.913 80 D HN -0.497 7.878 8.370 0.030 0.013 0.523 81 H N -5.013 114.024 119.070 -0.056 0.000 2.862 81 H HA -0.332 4.185 4.556 -0.065 0.000 0.290 81 H C 0.049 175.348 175.328 -0.047 0.000 1.211 81 H CA 1.400 57.416 56.048 -0.054 0.000 1.140 81 H CB -2.609 27.129 29.762 -0.041 0.000 1.341 81 H HN -0.132 8.060 8.280 0.162 0.186 0.392 82 K N -3.757 116.658 120.400 0.024 0.000 2.400 82 K HA -0.015 4.312 4.320 0.011 0.000 0.194 82 K C -1.495 175.078 176.600 -0.045 0.000 1.033 82 K CA 0.865 57.150 56.287 -0.004 0.000 1.021 82 K CB 0.942 33.441 32.500 -0.002 0.000 0.808 82 K HN -0.250 7.980 8.250 0.015 0.029 0.505 83 A N -3.365 119.402 122.820 -0.089 0.000 2.435 83 A HA 0.201 4.455 4.320 -0.109 0.000 0.304 83 A C -2.069 175.403 177.584 -0.185 0.000 1.064 83 A CA -1.205 50.756 52.037 -0.127 0.000 0.727 83 A CB 2.592 21.513 19.000 -0.133 0.000 1.284 83 A HN -0.870 7.220 8.150 -0.100 0.000 0.415 84 D N 0.172 120.447 120.400 -0.208 0.000 2.183 84 D HA 0.040 4.521 4.640 -0.266 0.000 0.205 84 D C -0.326 175.793 176.300 -0.303 0.000 0.962 84 D CA 3.146 56.983 54.000 -0.273 0.000 0.849 84 D CB 1.952 42.555 40.800 -0.328 0.000 0.978 84 D HN -0.036 8.219 8.370 -0.192 0.000 0.488 85 L N -3.615 117.436 121.223 -0.287 0.000 2.409 85 L HA 0.687 5.063 4.340 -0.247 -0.184 0.262 85 L C -2.608 174.137 176.870 -0.208 0.000 0.992 85 L CA -1.554 53.129 54.840 -0.263 0.000 0.817 85 L CB 5.076 46.950 42.059 -0.309 0.000 1.350 85 L HN -0.648 7.424 8.230 -0.264 0.000 0.411 86 A N 1.360 124.075 122.820 -0.175 0.000 2.267 86 A HA 0.823 5.263 4.320 -0.157 -0.215 0.315 86 A C -1.371 176.158 177.584 -0.092 0.000 1.297 86 A CA -1.758 50.194 52.037 -0.142 0.000 0.865 86 A CB 1.759 20.680 19.000 -0.132 0.000 1.165 86 A HN 0.592 8.534 8.150 -0.173 0.104 0.513 87 V N 4.896 124.737 119.914 -0.121 0.000 2.313 87 V HA 0.351 4.454 4.120 -0.027 0.000 0.278 87 V C -1.972 174.061 176.094 -0.102 0.000 1.017 87 V CA -0.702 61.538 62.300 -0.100 0.000 0.823 87 V CB 0.390 32.107 31.823 -0.176 0.000 1.010 87 V HN -0.167 7.928 8.190 -0.159 0.000 0.443 88 A N 6.218 129.031 122.820 -0.012 0.000 2.515 88 A HA 0.347 4.612 4.320 -0.092 0.000 0.292 88 A C -2.929 174.615 177.584 -0.066 0.000 1.065 88 A CA -1.211 50.788 52.037 -0.063 0.000 0.641 88 A CB 1.619 20.555 19.000 -0.108 0.000 1.306 88 A HN 0.222 8.426 8.150 0.090 0.000 0.441 89 P HA 0.017 3.608 4.420 -1.383 0.000 0.237 89 P C -2.318 174.535 177.300 -0.746 0.000 1.788 89 P CA -0.160 62.228 63.100 -1.187 0.000 1.061 89 P CB -1.907 28.683 31.700 -1.851 0.000 1.967 90 L N 3.607 124.687 121.223 -0.238 0.000 2.262 90 L HA 0.135 4.577 4.340 0.170 0.000 0.288 90 L C -1.952 175.036 176.870 0.196 0.000 1.035 90 L CA -1.574 53.337 54.840 0.119 0.000 0.820 90 L CB 1.764 43.966 42.059 0.238 0.000 1.204 90 L HN -0.428 7.683 8.230 -0.142 0.034 0.424 91 A N 7.037 129.962 122.820 0.174 0.000 2.477 91 A HA 0.139 4.684 4.320 0.093 -0.169 0.246 91 A C 0.001 177.455 177.584 -0.217 0.000 1.078 91 A CA -0.613 51.455 52.037 0.051 0.000 0.770 91 A CB 0.432 19.437 19.000 0.008 0.000 1.011 91 A HN 0.411 8.641 8.150 0.134 0.000 0.494 92 I N 4.705 124.951 120.570 -0.540 0.000 2.379 92 I HA -0.054 2.890 4.170 -2.044 0.000 0.290 92 I C -0.655 175.177 176.117 -0.475 0.000 1.063 92 I CA 0.875 61.540 61.300 -1.059 0.000 1.351 92 I CB -0.579 36.913 38.000 -0.848 0.000 1.410 92 I HN -0.042 7.916 8.210 -0.420 0.000 0.505 93 T N 4.717 119.088 114.554 -0.306 0.000 2.906 93 T HA 0.350 4.672 4.350 -0.047 0.000 0.295 93 T C 0.348 175.088 174.700 0.066 0.000 1.075 93 T CA -2.862 59.213 62.100 -0.042 0.000 1.005 93 T CB 2.767 71.671 68.868 0.059 0.000 1.136 93 T HN -0.324 7.712 8.240 -0.340 0.000 0.498 94 Y N 4.059 124.363 120.300 0.008 0.000 2.081 94 Y HA -0.438 4.128 4.550 0.027 0.000 0.280 94 Y C 0.867 176.825 175.900 0.096 0.000 1.163 94 Y CA 3.518 61.641 58.100 0.039 0.000 1.135 94 Y CB -0.709 37.767 38.460 0.027 0.000 0.970 94 Y HN 0.378 8.804 8.280 0.243 0.000 0.498 95 V N -6.769 113.185 119.914 0.066 0.000 2.515 95 V HA -0.287 3.907 4.120 -0.186 -0.186 0.250 95 V C 0.991 177.160 176.094 0.126 0.000 1.058 95 V CA 2.285 64.621 62.300 0.060 0.000 1.064 95 V CB -0.276 31.718 31.823 0.285 0.000 0.675 95 V HN -0.375 7.958 8.190 0.239 0.000 0.461 96 R N -1.081 119.500 120.500 0.134 0.000 2.090 96 R HA -0.243 3.891 4.340 -0.343 0.000 0.228 96 R C 2.108 178.414 176.300 0.009 0.000 1.110 96 R CA 3.233 59.325 56.100 -0.014 0.000 0.973 96 R CB 0.071 30.508 30.300 0.228 0.000 0.869 96 R HN -0.849 7.528 8.270 0.178 0.000 0.440 97 E N -0.510 119.767 120.200 0.128 0.000 2.268 97 E HA -0.178 4.449 4.350 0.210 -0.152 0.195 97 E C 1.399 177.969 176.600 -0.050 0.000 0.995 97 E CA 1.896 58.366 56.400 0.116 0.000 0.836 97 E CB -0.362 29.411 29.700 0.121 0.000 0.763 97 E HN -0.260 8.169 8.360 0.116 0.000 0.491 98 E N -2.695 117.413 120.200 -0.153 0.000 2.268 98 E HA -0.212 4.054 4.350 -0.139 0.000 0.195 98 E C 1.407 177.934 176.600 -0.121 0.000 0.995 98 E CA 2.358 58.662 56.400 -0.159 0.000 0.836 98 E CB 0.453 30.021 29.700 -0.219 0.000 0.763 98 E HN -0.609 7.615 8.360 -0.193 0.020 0.491 99 V N -8.860 110.942 119.914 -0.186 0.000 3.572 99 V HA 0.185 4.211 4.120 -0.157 0.000 0.260 99 V C -1.008 174.919 176.094 -0.278 0.000 1.324 99 V CA 0.381 62.535 62.300 -0.244 0.000 1.068 99 V CB 2.348 33.927 31.823 -0.406 0.000 0.837 99 V HN -0.552 7.358 8.190 -0.218 0.149 0.450 100 I N -5.392 114.991 120.570 -0.311 0.000 3.108 100 I HA 0.316 4.321 4.170 -0.274 0.000 0.312 100 I C -2.338 173.613 176.117 -0.278 0.000 1.095 100 I CA -2.243 58.855 61.300 -0.338 0.000 1.000 100 I CB 3.023 40.722 38.000 -0.503 0.000 1.229 100 I HN -0.360 7.669 8.210 -0.301 0.000 0.454 101 D N -0.476 119.755 120.400 -0.281 0.000 2.217 101 D HA 0.693 5.474 4.640 -0.062 -0.178 0.248 101 D C -0.754 175.370 176.300 -0.293 0.000 1.008 101 D CA -1.510 52.392 54.000 -0.164 0.000 0.914 101 D CB 3.485 44.237 40.800 -0.080 0.000 1.182 101 D HN -0.184 8.014 8.370 -0.288 0.000 0.451 102 F N -1.168 118.763 119.950 -0.033 0.000 2.551 102 F HA 0.610 5.330 4.527 -0.007 -0.197 0.316 102 F C 0.453 176.261 175.800 0.014 0.000 1.089 102 F CA -1.461 56.533 58.000 -0.009 0.000 0.915 102 F CB 4.576 43.568 39.000 -0.012 0.000 1.186 102 F HN -0.445 8.198 8.300 0.277 -0.177 0.456 103 S N 2.391 118.239 115.700 0.246 0.000 2.580 103 S HA 0.060 4.616 4.470 0.143 0.000 0.266 103 S C 0.638 175.337 174.600 0.165 0.000 1.354 103 S CA -0.331 57.980 58.200 0.185 0.000 1.008 103 S CB 0.997 64.317 63.200 0.200 0.000 0.898 103 S HN 0.443 8.897 8.310 0.241 0.000 0.555 104 K N 0.615 121.082 120.400 0.112 0.000 2.286 104 K HA -0.018 4.324 4.320 0.037 0.000 0.256 104 K C -1.393 175.249 176.600 0.070 0.000 0.999 104 K CA -0.275 56.052 56.287 0.066 0.000 0.908 104 K CB -0.939 31.591 32.500 0.050 0.000 0.981 104 K HN -0.084 8.229 8.250 0.106 0.000 0.500 105 P HA 0.130 4.671 4.420 -0.151 -0.212 0.275 105 P C -0.840 176.477 177.300 0.028 0.000 1.227 105 P CA -0.485 62.563 63.100 -0.087 0.000 0.781 105 P CB 0.460 32.060 31.700 -0.166 0.000 0.906 106 F N -2.639 117.380 119.950 0.114 0.000 2.776 106 F HA 0.241 4.841 4.527 0.123 0.000 0.300 106 F C -1.233 174.658 175.800 0.150 0.000 1.116 106 F CA -1.185 56.907 58.000 0.154 0.000 1.375 106 F CB 0.924 40.059 39.000 0.224 0.000 1.109 106 F HN -0.186 7.870 8.300 -0.407 0.000 0.585 107 M N -2.053 117.476 119.600 -0.118 0.000 2.471 107 M HA 0.319 4.783 4.480 -0.027 0.000 0.284 107 M C -2.645 173.474 176.300 -0.302 0.000 1.203 107 M CA 0.125 55.356 55.300 -0.116 0.000 0.915 107 M CB 3.715 36.307 32.600 -0.013 0.000 1.734 107 M HN -0.840 7.232 8.290 -0.363 0.000 0.485 108 T N 1.016 115.417 114.554 -0.256 0.000 2.912 108 T HA 0.899 5.173 4.350 -0.359 -0.140 0.288 108 T C -0.962 173.551 174.700 -0.312 0.000 1.030 108 T CA -1.745 60.179 62.100 -0.292 0.000 1.020 108 T CB 1.754 70.508 68.868 -0.190 0.000 1.056 108 T HN -0.064 8.060 8.240 -0.193 0.000 0.480 109 L N -4.830 116.193 121.223 -0.334 0.000 3.064 109 L HA 0.707 4.910 4.340 -0.229 0.000 0.282 109 L C -2.501 174.208 176.870 -0.268 0.000 1.045 109 L CA -0.456 54.202 54.840 -0.303 0.000 0.986 109 L CB 2.088 43.891 42.059 -0.426 0.000 1.571 109 L HN 0.307 8.341 8.230 -0.327 0.000 0.377 110 G N -4.123 104.540 108.800 -0.229 0.000 2.677 110 G HA2 0.645 4.527 3.960 -0.284 0.000 0.291 110 G HA3 0.645 4.616 3.960 -0.227 -0.147 0.291 110 G C -2.255 172.510 174.900 -0.226 0.000 1.435 110 G CA -0.381 44.572 45.100 -0.245 0.000 0.826 110 G HN -0.353 7.820 8.290 -0.195 0.000 0.491 111 I N -0.136 120.256 120.570 -0.297 0.000 2.648 111 I HA -0.174 3.879 4.170 -0.195 0.000 0.284 111 I C -1.361 174.646 176.117 -0.184 0.000 1.153 111 I CA 2.134 63.281 61.300 -0.256 0.000 1.426 111 I CB -0.038 37.731 38.000 -0.384 0.000 1.381 111 I HN 0.226 8.555 8.210 -0.384 -0.350 0.571 112 S N 4.114 119.748 115.700 -0.109 0.000 2.973 112 S HA 0.540 4.967 4.470 -0.072 0.000 0.317 112 S C -1.940 172.635 174.600 -0.042 0.000 1.196 112 S CA -2.469 55.692 58.200 -0.064 0.000 0.894 112 S CB 2.912 66.090 63.200 -0.036 0.000 1.292 112 S HN 0.461 8.712 8.310 -0.097 0.000 0.614 113 I N -0.029 120.535 120.570 -0.010 0.000 2.465 113 I HA 0.321 4.632 4.170 -0.024 -0.154 0.291 113 I C -1.854 174.309 176.117 0.077 0.000 1.014 113 I CA -0.807 60.494 61.300 0.002 0.000 1.093 113 I CB 3.225 41.208 38.000 -0.029 0.000 1.267 113 I HN 0.048 8.260 8.210 0.002 0.000 0.431 114 L N 8.075 129.382 121.223 0.140 0.000 2.282 114 L HA 0.700 5.320 4.340 0.191 -0.166 0.288 114 L C -2.467 174.587 176.870 0.308 0.000 1.033 114 L CA -1.379 53.595 54.840 0.222 0.000 0.807 114 L CB 2.371 44.605 42.059 0.291 0.000 1.209 114 L HN 0.492 8.803 8.230 0.136 0.000 0.423 115 Y N 6.962 127.319 120.300 0.095 0.000 2.744 115 Y HA 0.414 5.029 4.550 0.107 0.000 0.330 115 Y C -2.116 173.828 175.900 0.073 0.000 1.263 115 Y CA -2.263 55.887 58.100 0.084 0.000 1.065 115 Y CB 3.972 42.461 38.460 0.049 0.000 1.306 115 Y HN 0.432 8.870 8.280 0.265 0.000 0.459 116 R N 0.066 120.246 120.500 -0.532 0.000 2.707 116 R HA 0.266 4.627 4.340 -0.207 -0.145 0.270 116 R C -0.337 175.781 176.300 -0.303 0.000 1.083 116 R CA -0.310 55.539 56.100 -0.419 0.000 1.182 116 R CB 1.032 31.016 30.300 -0.528 0.000 1.084 116 R HN 0.311 7.882 8.270 -1.166 0.000 0.528 117 K N 2.053 122.362 120.400 -0.152 0.000 2.107 117 K HA -0.021 4.274 4.320 -0.042 0.000 0.251 117 K C 0.955 177.509 176.600 -0.076 0.000 1.012 117 K CA 0.628 56.871 56.287 -0.074 0.000 0.920 117 K CB 0.389 32.867 32.500 -0.037 0.000 1.033 117 K HN -0.449 7.724 8.250 -0.128 0.000 0.478 118 G N -0.942 107.842 108.800 -0.027 0.000 2.132 118 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.234 118 G HA3 -0.314 3.632 3.960 -0.023 0.000 0.234 118 G C -0.637 174.265 174.900 0.003 0.000 0.989 118 G CA -0.125 44.967 45.100 -0.014 0.000 0.676 118 G HN 0.470 8.755 8.290 -0.009 0.000 0.522 119 T N -2.259 112.312 114.554 0.028 0.000 2.949 119 T HA 0.474 4.859 4.350 0.057 0.000 0.287 119 T C -1.662 173.087 174.700 0.083 0.000 1.034 119 T CA -3.850 58.295 62.100 0.075 0.000 1.018 119 T CB 2.200 71.171 68.868 0.172 0.000 1.135 119 T HN -0.631 7.628 8.240 0.032 0.000 0.532 120 P HA 0.192 4.639 4.420 0.044 0.000 0.249 120 P C -0.985 176.347 177.300 0.053 0.000 1.229 120 P CA -0.240 62.893 63.100 0.054 0.000 0.788 120 P CB 0.242 31.966 31.700 0.039 0.000 1.072 121 I N 0.709 121.331 120.570 0.086 0.000 2.517 121 I HA -0.290 3.882 4.170 0.004 0.000 0.285 121 I C -0.915 175.226 176.117 0.041 0.000 1.106 121 I CA -0.759 60.566 61.300 0.042 0.000 1.402 121 I CB -1.197 36.816 38.000 0.021 0.000 1.399 121 I HN -0.668 7.564 8.210 0.136 0.060 0.535 122 D N 5.266 125.670 120.400 0.007 0.000 2.520 122 D HA 0.078 4.735 4.640 0.027 0.000 0.223 122 D C -1.633 174.666 176.300 -0.001 0.000 1.186 122 D CA -0.233 53.774 54.000 0.012 0.000 0.821 122 D CB 2.779 43.585 40.800 0.011 0.000 1.072 122 D HN 0.362 9.058 8.370 -0.009 -0.331 0.518 123 S N -6.170 109.516 115.700 -0.024 0.000 2.611 123 S HA 0.239 4.705 4.470 -0.007 0.000 0.268 123 S C -0.543 174.027 174.600 -0.051 0.000 1.156 123 S CA -1.634 56.554 58.200 -0.020 0.000 0.817 123 S CB 2.865 66.060 63.200 -0.008 0.000 1.122 123 S HN -1.044 7.242 8.310 -0.040 0.000 0.466 124 A N 1.229 124.045 122.820 -0.006 0.000 1.933 124 A HA -0.356 3.900 4.320 -0.106 0.000 0.218 124 A C 1.155 178.707 177.584 -0.054 0.000 1.175 124 A CA 3.059 55.091 52.037 -0.008 0.000 0.628 124 A CB -0.326 18.806 19.000 0.221 0.000 0.814 124 A HN 0.661 8.833 8.150 0.037 0.000 0.444 125 D N -2.667 117.718 120.400 -0.024 0.000 2.149 125 D HA -0.333 4.274 4.640 -0.055 0.000 0.198 125 D C 1.600 177.850 176.300 -0.083 0.000 0.990 125 D CA 2.969 56.937 54.000 -0.054 0.000 0.839 125 D CB -0.139 40.634 40.800 -0.046 0.000 0.948 125 D HN -0.100 8.270 8.370 0.001 0.000 0.460 126 D N -1.224 119.123 120.400 -0.088 0.000 2.117 126 D HA -0.216 4.379 4.640 -0.075 0.000 0.197 126 D C 1.467 177.673 176.300 -0.156 0.000 0.987 126 D CA 2.982 56.924 54.000 -0.097 0.000 0.829 126 D CB -0.649 40.105 40.800 -0.077 0.000 0.961 126 D HN -0.449 7.875 8.370 -0.075 0.000 0.460 127 L N -0.078 120.994 121.223 -0.251 0.000 2.056 127 L HA -0.283 3.861 4.340 -0.326 0.000 0.207 127 L C 1.923 178.565 176.870 -0.380 0.000 1.078 127 L CA 2.987 57.583 54.840 -0.406 0.000 0.749 127 L CB -0.390 41.230 42.059 -0.731 0.000 0.901 127 L HN -0.541 7.540 8.230 -0.249 0.000 0.433 128 A N -1.813 120.823 122.820 -0.307 0.000 1.972 128 A HA -0.193 4.023 4.320 -0.173 0.000 0.219 128 A C 0.694 178.229 177.584 -0.081 0.000 1.169 128 A CA 2.383 54.321 52.037 -0.165 0.000 0.635 128 A CB -0.004 18.955 19.000 -0.068 0.000 0.810 128 A HN -0.175 7.816 8.150 -0.264 0.000 0.446 129 K N -3.680 116.670 120.400 -0.084 0.000 2.458 129 K HA -0.093 4.210 4.320 -0.029 0.000 0.194 129 K C -0.046 176.529 176.600 -0.042 0.000 1.024 129 K CA 0.275 56.534 56.287 -0.047 0.000 1.108 129 K CB -0.254 32.222 32.500 -0.040 0.000 0.846 129 K HN -0.568 7.597 8.250 -0.102 0.023 0.518 130 Q N -1.029 118.731 119.800 -0.067 0.000 2.615 130 Q HA 0.224 4.549 4.340 -0.024 0.000 0.298 130 Q C -1.561 174.387 176.000 -0.087 0.000 1.023 130 Q CA -0.802 54.971 55.803 -0.050 0.000 0.768 130 Q CB 1.517 30.229 28.738 -0.043 0.000 1.500 130 Q HN -0.528 7.620 8.270 -0.095 0.065 0.441 131 T N -9.034 105.500 114.554 -0.033 0.000 3.080 131 T HA 0.213 4.447 4.350 -0.195 0.000 0.280 131 T C 0.664 175.408 174.700 0.074 0.000 0.926 131 T CA -0.581 61.517 62.100 -0.003 0.000 0.883 131 T CB 1.307 70.284 68.868 0.182 0.000 1.194 131 T HN -0.107 8.133 8.240 0.000 0.000 0.541 132 K N 2.855 123.286 120.400 0.052 0.000 2.097 132 K HA -0.162 4.211 4.320 0.088 0.000 0.205 132 K C 0.134 176.791 176.600 0.095 0.000 1.050 132 K CA 2.055 58.387 56.287 0.075 0.000 0.938 132 K CB 0.193 32.729 32.500 0.060 0.000 0.718 132 K HN -0.365 7.968 8.250 0.031 -0.064 0.442 133 I N 0.639 121.249 120.570 0.066 0.000 2.301 133 I HA -0.071 4.326 4.170 0.135 -0.146 0.292 133 I C -0.634 175.531 176.117 0.080 0.000 1.046 133 I CA -0.182 61.164 61.300 0.077 0.000 1.282 133 I CB -0.051 37.935 38.000 -0.023 0.000 1.409 133 I HN -0.340 8.256 8.210 0.032 -0.367 0.484 134 E N 7.296 127.596 120.200 0.167 0.000 2.345 134 E HA 0.024 4.467 4.350 0.154 0.000 0.259 134 E C -1.546 175.076 176.600 0.036 0.000 1.117 134 E CA -0.526 55.994 56.400 0.199 0.000 0.913 134 E CB 2.090 32.007 29.700 0.361 0.000 1.057 134 E HN -0.150 8.338 8.360 0.214 0.000 0.432 135 Y N -5.829 114.461 120.300 -0.016 0.000 2.581 135 Y HA 1.038 5.257 4.550 -0.909 -0.214 0.337 135 Y C -1.558 174.288 175.900 -0.091 0.000 1.108 135 Y CA -2.093 55.773 58.100 -0.389 0.000 1.033 135 Y CB 3.371 41.618 38.460 -0.355 0.000 1.318 135 Y HN -0.015 8.176 8.280 -0.148 0.000 0.459 136 G N -2.812 106.004 108.800 0.025 0.000 2.570 136 G HA2 0.503 4.564 3.960 0.168 0.000 0.310 136 G HA3 0.503 4.954 3.960 0.406 -0.248 0.310 136 G C -3.420 171.635 174.900 0.259 0.000 1.266 136 G CA 0.027 45.276 45.100 0.248 0.000 0.825 136 G HN -0.369 7.857 8.290 -0.107 0.000 0.483 137 A N -3.402 119.626 122.820 0.347 0.000 2.586 137 A HA 0.634 4.837 4.320 -0.194 0.000 0.290 137 A C -2.044 175.762 177.584 0.369 0.000 1.086 137 A CA -0.961 51.168 52.037 0.152 0.000 0.665 137 A CB 3.084 22.125 19.000 0.068 0.000 1.279 137 A HN -0.486 7.907 8.150 0.406 0.000 0.423 138 V N 0.029 120.115 119.914 0.288 0.000 2.529 138 V HA -0.130 4.381 4.120 0.363 -0.173 0.292 138 V C 0.095 176.329 176.094 0.233 0.000 1.028 138 V CA 0.574 63.055 62.300 0.303 0.000 1.074 138 V CB 0.244 32.213 31.823 0.243 0.000 0.958 138 V HN 0.540 8.816 8.190 0.144 0.000 0.481 139 E N 8.745 129.081 120.200 0.227 0.000 2.415 139 E HA -0.419 4.058 4.350 0.212 0.000 0.263 139 E C -0.254 176.458 176.600 0.186 0.000 0.995 139 E CA 1.583 58.102 56.400 0.198 0.000 0.915 139 E CB 0.536 30.335 29.700 0.165 0.000 0.951 139 E HN 0.063 8.559 8.360 0.227 0.000 0.449 140 D N 1.814 122.313 120.400 0.166 0.000 2.981 140 D HA -0.305 4.406 4.640 0.119 0.000 0.223 140 D C -1.001 175.413 176.300 0.191 0.000 1.151 140 D CA 1.917 56.008 54.000 0.151 0.000 0.827 140 D CB -1.112 39.773 40.800 0.140 0.000 1.101 140 D HN -0.086 8.384 8.370 0.166 0.000 0.426 141 G N -4.033 104.863 108.800 0.160 0.000 2.820 141 G HA2 0.340 4.396 3.960 0.161 0.000 0.291 141 G HA3 0.340 4.316 3.960 0.027 0.000 0.291 141 G C -1.048 173.901 174.900 0.081 0.000 1.323 141 G CA -1.507 43.657 45.100 0.106 0.000 1.055 141 G HN -0.963 7.374 8.290 0.150 0.043 0.520 142 A N -1.372 121.466 122.820 0.030 0.000 1.930 142 A HA -0.261 4.113 4.320 0.091 0.000 0.217 142 A C 2.189 179.809 177.584 0.061 0.000 1.175 142 A CA 3.306 55.373 52.037 0.050 0.000 0.627 142 A CB -0.585 18.422 19.000 0.012 0.000 0.815 142 A HN 0.589 8.715 8.150 -0.039 0.000 0.443 143 T N 2.163 116.741 114.554 0.040 0.000 2.708 143 T HA -0.444 3.966 4.350 0.100 0.000 0.266 143 T C 1.557 176.435 174.700 0.298 0.000 1.037 143 T CA 5.068 67.243 62.100 0.126 0.000 1.146 143 T CB -0.318 68.580 68.868 0.051 0.000 0.865 143 T HN -0.164 8.071 8.240 -0.007 0.000 0.435 144 M N 1.806 121.532 119.600 0.209 0.000 2.159 144 M HA -0.296 4.390 4.480 0.345 0.000 0.263 144 M C 1.294 177.601 176.300 0.011 0.000 1.063 144 M CA 3.306 58.735 55.300 0.216 0.000 1.110 144 M CB -0.701 32.026 32.600 0.212 0.000 1.374 144 M HN 0.052 8.433 8.290 0.152 0.000 0.411 145 T N 2.177 116.733 114.554 0.004 0.000 2.821 145 T HA -0.416 3.805 4.350 -0.215 0.000 0.267 145 T C 1.671 176.305 174.700 -0.110 0.000 1.046 145 T CA 4.551 66.594 62.100 -0.094 0.000 1.139 145 T CB -0.327 68.542 68.868 0.001 0.000 0.871 145 T HN -0.502 7.772 8.240 0.057 0.000 0.454 146 F N 3.191 123.052 119.950 -0.147 0.000 2.095 146 F HA -0.489 3.911 4.527 -0.212 0.000 0.298 146 F C 0.918 176.518 175.800 -0.333 0.000 1.104 146 F CA 3.890 61.741 58.000 -0.248 0.000 1.232 146 F CB 0.076 38.880 39.000 -0.326 0.000 0.987 146 F HN -0.350 8.063 8.300 0.188 0.000 0.475 147 F N -2.891 116.970 119.950 -0.148 0.000 2.146 147 F HA -0.454 3.946 4.527 -0.211 0.000 0.298 147 F C 2.693 178.187 175.800 -0.511 0.000 1.096 147 F CA 3.841 61.734 58.000 -0.178 0.000 1.275 147 F CB -0.204 38.924 39.000 0.213 0.000 1.008 147 F HN -0.519 7.939 8.300 0.264 0.000 0.480 148 K N -1.406 118.476 120.400 -0.863 0.000 2.147 148 K HA -0.335 2.462 4.320 -2.537 0.000 0.205 148 K C 1.379 177.588 176.600 -0.651 0.000 1.049 148 K CA 2.600 58.010 56.287 -1.461 0.000 0.936 148 K CB -0.067 31.620 32.500 -1.356 0.000 0.722 148 K HN -0.069 7.740 8.250 -0.735 0.000 0.446 149 R N -4.141 116.083 120.500 -0.460 0.000 2.290 149 R HA 0.014 4.208 4.340 -0.244 0.000 0.197 149 R C 0.077 176.192 176.300 -0.308 0.000 0.913 149 R CA 0.179 56.095 56.100 -0.308 0.000 1.040 149 R CB 0.615 30.775 30.300 -0.234 0.000 0.992 149 R HN -0.615 7.347 8.270 -0.477 0.021 0.500 150 S N 0.902 116.350 115.700 -0.419 0.000 2.564 150 S HA -0.021 4.190 4.470 -0.432 0.000 0.278 150 S C -0.140 174.359 174.600 -0.168 0.000 1.333 150 S CA 0.491 58.449 58.200 -0.403 0.000 1.048 150 S CB 0.696 63.554 63.200 -0.570 0.000 0.900 150 S HN -0.672 7.251 8.310 -0.470 0.105 0.505 151 K N 3.787 124.107 120.400 -0.132 0.000 2.374 151 K HA 0.088 4.380 4.320 -0.048 0.000 0.196 151 K C -0.111 176.454 176.600 -0.058 0.000 1.023 151 K CA -0.632 55.613 56.287 -0.070 0.000 1.103 151 K CB 0.346 32.806 32.500 -0.067 0.000 0.848 151 K HN 0.186 8.343 8.250 -0.155 0.000 0.528 152 I N 2.196 122.725 120.570 -0.068 0.000 2.533 152 I HA -0.103 4.003 4.170 -0.106 0.000 0.284 152 I C 1.298 177.339 176.117 -0.127 0.000 1.109 152 I CA -0.670 60.562 61.300 -0.113 0.000 1.412 152 I CB -0.436 37.470 38.000 -0.155 0.000 1.396 152 I HN -0.797 7.323 8.210 -0.070 0.047 0.543 153 S N 9.863 125.489 115.700 -0.122 0.000 2.365 153 S HA -0.361 4.092 4.470 -0.029 0.000 0.225 153 S C 1.905 176.462 174.600 -0.070 0.000 1.039 153 S CA 3.825 61.982 58.200 -0.072 0.000 1.033 153 S CB -1.087 62.075 63.200 -0.064 0.000 0.887 153 S HN 0.533 8.768 8.310 -0.125 0.000 0.447 154 T N 4.107 118.545 114.554 -0.193 0.000 2.720 154 T HA -0.294 4.021 4.350 -0.059 0.000 0.268 154 T C 1.602 176.346 174.700 0.074 0.000 1.037 154 T CA 4.552 66.563 62.100 -0.149 0.000 1.144 154 T CB -0.243 68.427 68.868 -0.330 0.000 0.864 154 T HN -0.008 8.061 8.240 -0.285 0.000 0.444 155 Y N -0.670 119.721 120.300 0.150 0.000 2.337 155 Y HA -0.105 4.743 4.550 0.497 0.000 0.293 155 Y C 1.862 177.954 175.900 0.321 0.000 1.123 155 Y CA -0.330 57.941 58.100 0.284 0.000 1.201 155 Y CB -1.242 37.228 38.460 0.017 0.000 1.011 155 Y HN -0.676 7.429 8.280 -0.291 0.000 0.545 156 D N 0.288 120.863 120.400 0.291 0.000 2.144 156 D HA -0.336 4.498 4.640 0.324 0.000 0.199 156 D C 1.883 178.359 176.300 0.293 0.000 0.984 156 D CA 3.503 57.664 54.000 0.268 0.000 0.834 156 D CB 0.147 41.028 40.800 0.136 0.000 0.955 156 D HN 0.011 8.488 8.370 0.178 0.000 0.465 157 K N -0.798 119.737 120.400 0.225 0.000 2.057 157 K HA -0.311 4.112 4.320 0.173 0.000 0.207 157 K C 2.346 179.115 176.600 0.282 0.000 1.049 157 K CA 3.161 59.567 56.287 0.199 0.000 0.931 157 K CB -0.048 32.527 32.500 0.126 0.000 0.714 157 K HN -0.448 7.912 8.250 0.183 0.000 0.440 158 M N -0.773 119.044 119.600 0.361 0.000 2.159 158 M HA -0.323 4.461 4.480 0.508 0.000 0.263 158 M C 2.060 178.636 176.300 0.461 0.000 1.063 158 M CA 3.692 59.261 55.300 0.450 0.000 1.110 158 M CB 0.290 33.108 32.600 0.364 0.000 1.374 158 M HN -0.439 8.073 8.290 0.370 0.000 0.411 159 W N -0.042 121.447 121.300 0.316 0.000 2.358 159 W HA -0.388 4.396 4.660 0.205 0.000 0.303 159 W C 0.695 177.315 176.519 0.168 0.000 1.208 159 W CA 2.791 60.278 57.345 0.236 0.000 1.274 159 W CB 0.476 30.078 29.460 0.237 0.000 1.138 159 W HN -0.005 8.585 8.180 0.684 0.000 0.515 160 A N -0.855 121.977 122.820 0.019 0.000 1.908 160 A HA -0.404 3.758 4.320 -0.264 0.000 0.218 160 A C 1.349 178.835 177.584 -0.164 0.000 1.181 160 A CA 3.231 55.196 52.037 -0.121 0.000 0.627 160 A CB -1.004 18.023 19.000 0.045 0.000 0.818 160 A HN -0.279 8.002 8.150 0.219 0.000 0.445 161 F N 0.153 120.002 119.950 -0.169 0.000 2.113 161 F HA -0.262 4.148 4.527 -0.195 0.000 0.297 161 F C 1.598 177.185 175.800 -0.355 0.000 1.103 161 F CA 3.544 61.410 58.000 -0.222 0.000 1.248 161 F CB 0.511 39.405 39.000 -0.177 0.000 0.999 161 F HN -0.712 7.725 8.300 0.231 0.002 0.475 162 M N -1.294 118.161 119.600 -0.241 0.000 2.175 162 M HA -0.502 3.769 4.480 -0.348 0.000 0.264 162 M C 1.917 177.853 176.300 -0.607 0.000 1.063 162 M CA 3.754 58.830 55.300 -0.374 0.000 1.119 162 M CB -0.060 32.447 32.600 -0.155 0.000 1.377 162 M HN -0.144 8.103 8.290 -0.071 0.000 0.415 163 S N -1.288 113.844 115.700 -0.948 0.000 2.355 163 S HA -0.263 3.744 4.470 -0.771 0.000 0.222 163 S C 2.528 176.848 174.600 -0.466 0.000 1.031 163 S CA 3.436 61.131 58.200 -0.840 0.000 0.993 163 S CB -0.160 62.431 63.200 -1.016 0.000 0.859 163 S HN 0.075 7.721 8.310 -1.107 0.000 0.453 164 S N 2.895 118.332 115.700 -0.439 0.000 2.368 164 S HA -0.225 4.087 4.470 -0.263 0.000 0.225 164 S C 1.791 176.177 174.600 -0.357 0.000 1.030 164 S CA 2.923 60.919 58.200 -0.339 0.000 0.999 164 S CB -0.178 62.835 63.200 -0.312 0.000 0.844 164 S HN -0.298 7.732 8.310 -0.468 0.000 0.459 165 R N 0.018 120.225 120.500 -0.487 0.000 2.480 165 R HA 0.269 4.408 4.340 -0.334 0.000 0.277 165 R C 0.712 176.850 176.300 -0.270 0.000 1.008 165 R CA -0.893 54.954 56.100 -0.422 0.000 1.090 165 R CB -0.366 29.543 30.300 -0.652 0.000 1.234 165 R HN -0.458 7.451 8.270 -0.601 0.000 0.549 166 R N -0.447 119.913 120.500 -0.233 0.000 2.105 166 R HA -0.319 4.000 4.340 -0.127 -0.055 0.239 166 R C 1.857 178.116 176.300 -0.069 0.000 1.135 166 R CA 3.239 59.257 56.100 -0.137 0.000 0.967 166 R CB -0.799 29.430 30.300 -0.119 0.000 0.861 166 R HN -0.838 7.215 8.270 -0.254 0.066 0.442 167 Q N -2.024 117.730 119.800 -0.077 0.000 2.226 167 Q HA -0.199 4.124 4.340 -0.028 0.000 0.204 167 Q C 1.080 177.054 176.000 -0.044 0.000 0.975 167 Q CA 1.916 57.691 55.803 -0.047 0.000 0.866 167 Q CB -0.978 27.730 28.738 -0.050 0.000 0.915 167 Q HN 0.336 8.533 8.270 -0.099 0.014 0.440 168 S N -2.517 113.146 115.700 -0.061 0.000 2.460 168 S HA -0.046 4.391 4.470 -0.056 0.000 0.226 168 S C 1.499 176.083 174.600 -0.026 0.000 1.057 168 S CA 1.332 59.499 58.200 -0.055 0.000 0.948 168 S CB 0.776 63.937 63.200 -0.065 0.000 0.822 168 S HN -0.426 7.806 8.310 -0.084 0.027 0.512 169 V N -5.304 114.619 119.914 0.015 0.000 3.471 169 V HA 0.206 4.464 4.120 0.231 0.000 0.258 169 V C -1.136 175.097 176.094 0.230 0.000 1.192 169 V CA -0.068 62.340 62.300 0.179 0.000 1.116 169 V CB 1.223 33.160 31.823 0.190 0.000 0.792 169 V HN -0.460 7.711 8.190 -0.031 0.000 0.459 170 L N 0.434 121.738 121.223 0.135 0.000 2.292 170 L HA 0.385 5.075 4.340 0.264 -0.192 0.284 170 L C -0.045 176.917 176.870 0.153 0.000 1.065 170 L CA -0.434 54.517 54.840 0.185 0.000 0.806 170 L CB 0.631 42.783 42.059 0.156 0.000 1.175 170 L HN -0.735 7.537 8.230 0.070 0.000 0.431 171 V N -5.313 114.724 119.914 0.205 0.000 3.019 171 V HA 0.529 4.762 4.120 0.078 -0.067 0.317 171 V C -0.533 175.655 176.094 0.156 0.000 1.094 171 V CA -3.575 58.805 62.300 0.134 0.000 1.000 171 V CB 3.307 35.177 31.823 0.079 0.000 1.060 171 V HN 0.011 8.372 8.190 0.284 0.000 0.443 172 K N -0.824 119.643 120.400 0.112 0.000 2.393 172 K HA 0.051 4.459 4.320 0.146 0.000 0.193 172 K C -0.728 175.966 176.600 0.157 0.000 1.026 172 K CA 0.682 57.045 56.287 0.127 0.000 1.064 172 K CB 0.745 33.297 32.500 0.087 0.000 0.833 172 K HN 0.093 8.987 8.250 0.077 -0.598 0.521 173 S N -6.542 109.255 115.700 0.161 0.000 2.588 173 S HA 0.114 4.731 4.470 0.244 0.000 0.269 173 S C -0.706 174.020 174.600 0.210 0.000 1.157 173 S CA -1.753 56.561 58.200 0.191 0.000 0.824 173 S CB 3.134 66.413 63.200 0.131 0.000 1.126 173 S HN -0.922 7.469 8.310 0.136 0.000 0.464 174 N N 1.505 120.367 118.700 0.269 0.000 2.166 174 N HA -0.387 4.648 4.740 0.492 0.000 0.186 174 N C 1.571 177.154 175.510 0.122 0.000 1.019 174 N CA 3.685 56.927 53.050 0.319 0.000 0.856 174 N CB -0.106 38.592 38.487 0.351 0.000 0.993 174 N HN 0.619 9.163 8.380 0.275 0.000 0.426 175 E N 0.548 120.807 120.200 0.098 0.000 2.085 175 E HA -0.417 3.969 4.350 0.061 0.000 0.194 175 E C 1.305 177.885 176.600 -0.034 0.000 0.994 175 E CA 3.513 59.941 56.400 0.047 0.000 0.801 175 E CB -0.258 29.479 29.700 0.060 0.000 0.743 175 E HN 0.181 8.606 8.360 0.121 0.008 0.453 176 E N -0.436 119.733 120.200 -0.052 0.000 2.110 176 E HA -0.312 3.980 4.350 -0.096 0.000 0.193 176 E C 2.270 178.705 176.600 -0.275 0.000 0.988 176 E CA 2.482 58.813 56.400 -0.115 0.000 0.804 176 E CB -0.220 29.439 29.700 -0.068 0.000 0.745 176 E HN -0.565 7.790 8.360 -0.008 0.000 0.458 177 G N -0.779 107.722 108.800 -0.498 0.000 2.418 177 G HA2 -0.270 3.134 3.960 -0.926 0.000 0.217 177 G HA3 -0.270 2.201 3.960 -2.482 0.000 0.217 177 G C 1.322 175.838 174.900 -0.640 0.000 1.158 177 G CA 1.943 46.347 45.100 -1.160 0.000 0.771 177 G HN -0.540 7.426 8.290 -0.407 0.080 0.545 178 I N 2.151 122.523 120.570 -0.331 0.000 2.163 178 I HA -0.621 3.554 4.170 0.008 0.000 0.243 178 I C 1.593 177.677 176.117 -0.054 0.000 1.085 178 I CA 4.136 65.397 61.300 -0.064 0.000 1.347 178 I CB -0.147 37.870 38.000 0.030 0.000 1.044 178 I HN -0.176 7.861 8.210 -0.288 0.000 0.408 179 Q N -0.655 119.090 119.800 -0.091 0.000 2.096 179 Q HA -0.428 3.887 4.340 -0.042 0.000 0.204 179 Q C 2.578 178.517 176.000 -0.101 0.000 0.982 179 Q CA 3.775 59.532 55.803 -0.076 0.000 0.850 179 Q CB -0.281 28.409 28.738 -0.080 0.000 0.901 179 Q HN -0.396 7.809 8.270 -0.108 0.000 0.422 180 R N -0.620 119.760 120.500 -0.200 0.000 2.081 180 R HA -0.280 3.921 4.340 -0.233 0.000 0.235 180 R C 2.679 178.957 176.300 -0.037 0.000 1.131 180 R CA 3.349 59.281 56.100 -0.280 0.000 0.960 180 R CB 0.060 29.886 30.300 -0.791 0.000 0.856 180 R HN -0.488 7.549 8.270 -0.259 0.078 0.436 181 V N -0.156 119.838 119.914 0.134 0.000 2.392 181 V HA -0.375 4.150 4.120 0.401 -0.164 0.249 181 V C 1.789 177.959 176.094 0.127 0.000 1.059 181 V CA 3.690 66.148 62.300 0.262 0.000 1.051 181 V CB -0.020 31.970 31.823 0.277 0.000 0.658 181 V HN -0.401 7.843 8.190 0.089 0.000 0.455 182 L N -6.636 114.621 121.223 0.058 0.000 2.395 182 L HA -0.107 4.249 4.340 0.027 0.000 0.218 182 L C 1.316 178.196 176.870 0.017 0.000 1.130 182 L CA 1.577 56.434 54.840 0.027 0.000 0.826 182 L CB 0.352 42.419 42.059 0.013 0.000 0.941 182 L HN -0.531 7.722 8.230 0.039 0.000 0.451 183 T N -7.901 106.660 114.554 0.013 0.000 3.043 183 T HA 0.110 4.463 4.350 0.005 0.000 0.272 183 T C -0.072 174.637 174.700 0.015 0.000 0.990 183 T CA -0.333 61.768 62.100 0.002 0.000 0.897 183 T CB 1.103 69.958 68.868 -0.021 0.000 1.111 183 T HN -0.547 7.554 8.240 0.012 0.145 0.529 184 S N 0.969 116.699 115.700 0.049 0.000 2.615 184 S HA 0.128 4.638 4.470 0.067 0.000 0.269 184 S C -1.722 172.981 174.600 0.171 0.000 1.161 184 S CA -0.949 57.301 58.200 0.083 0.000 0.817 184 S CB 2.415 65.643 63.200 0.046 0.000 1.131 184 S HN -0.630 7.722 8.310 0.069 0.000 0.467 185 D N 2.320 122.838 120.400 0.196 0.000 2.470 185 D HA 0.104 4.923 4.640 0.300 0.000 0.226 185 D C -1.992 174.535 176.300 0.378 0.000 1.196 185 D CA -0.041 54.124 54.000 0.275 0.000 0.979 185 D CB -1.088 39.838 40.800 0.209 0.000 1.059 185 D HN 0.259 8.725 8.370 0.160 0.000 0.515 186 Y N 4.756 125.232 120.300 0.293 0.000 2.479 186 Y HA 0.563 5.461 4.550 0.199 -0.229 0.338 186 Y C -2.820 173.280 175.900 0.333 0.000 1.055 186 Y CA -0.955 57.291 58.100 0.242 0.000 1.023 186 Y CB 3.872 42.434 38.460 0.169 0.000 1.287 186 Y HN -0.652 7.957 8.280 0.549 0.000 0.447 187 A N 6.467 129.156 122.820 -0.218 0.000 2.330 187 A HA 0.589 5.154 4.320 0.183 -0.135 0.327 187 A C -2.680 174.736 177.584 -0.280 0.000 1.155 187 A CA -2.369 49.575 52.037 -0.153 0.000 0.803 187 A CB 3.023 21.766 19.000 -0.428 0.000 1.208 187 A HN 0.644 8.547 8.150 -0.412 0.000 0.477 188 F N 4.365 124.235 119.950 -0.133 0.000 2.427 188 F HA 0.361 4.795 4.527 -0.155 0.000 0.346 188 F C -2.117 173.687 175.800 0.006 0.000 1.120 188 F CA -3.100 54.880 58.000 -0.034 0.000 1.033 188 F CB 3.536 42.667 39.000 0.218 0.000 1.126 188 F HN 0.281 8.755 8.300 0.289 0.000 0.462 189 L N 8.964 129.960 121.223 -0.379 0.000 2.418 189 L HA 0.314 4.700 4.340 -0.212 -0.173 0.274 189 L C -1.044 175.449 176.870 -0.628 0.000 1.135 189 L CA 0.028 54.652 54.840 -0.360 0.000 0.870 189 L CB -0.850 41.066 42.059 -0.237 0.000 1.154 189 L HN 0.489 8.528 8.230 -0.319 0.000 0.462 190 M N 3.230 122.631 119.600 -0.332 0.000 2.520 190 M HA 0.396 4.668 4.480 -0.346 0.000 0.280 190 M C -2.329 173.920 176.300 -0.085 0.000 1.232 190 M CA -0.758 54.391 55.300 -0.251 0.000 0.892 190 M CB 4.191 36.761 32.600 -0.051 0.000 1.728 190 M HN 0.324 8.497 8.290 -0.195 0.000 0.475 191 E N 2.620 122.805 120.200 -0.025 0.000 2.373 191 E HA 0.017 4.463 4.350 -0.068 -0.137 0.267 191 E C 1.317 177.957 176.600 0.066 0.000 1.032 191 E CA 0.409 56.807 56.400 -0.002 0.000 0.889 191 E CB 0.797 30.522 29.700 0.042 0.000 0.984 191 E HN 0.614 8.969 8.360 -0.009 0.000 0.425 192 S N 4.554 120.261 115.700 0.011 0.000 2.382 192 S HA -0.330 4.176 4.470 0.060 0.000 0.228 192 S C 1.809 176.487 174.600 0.131 0.000 1.027 192 S CA 3.631 61.858 58.200 0.044 0.000 0.991 192 S CB 0.172 63.358 63.200 -0.024 0.000 0.823 192 S HN 0.465 8.745 8.310 -0.051 0.000 0.469 193 T N 0.130 114.776 114.554 0.153 0.000 2.684 193 T HA -0.333 4.140 4.350 0.205 0.000 0.267 193 T C 1.890 176.939 174.700 0.581 0.000 1.036 193 T CA 3.276 65.563 62.100 0.311 0.000 1.148 193 T CB -0.564 68.514 68.868 0.350 0.000 0.863 193 T HN 0.074 8.364 8.240 0.083 0.000 0.436 194 T N 4.437 119.292 114.554 0.501 0.000 2.857 194 T HA -0.251 4.385 4.350 0.476 0.000 0.266 194 T C 1.556 176.487 174.700 0.384 0.000 1.048 194 T CA 4.574 66.951 62.100 0.462 0.000 1.139 194 T CB -0.191 68.926 68.868 0.415 0.000 0.874 194 T HN -0.771 7.724 8.240 0.426 0.000 0.455 195 I N 1.961 122.708 120.570 0.296 0.000 2.208 195 I HA -0.507 3.806 4.170 0.239 0.000 0.245 195 I C 1.460 177.725 176.117 0.246 0.000 1.097 195 I CA 4.451 65.894 61.300 0.238 0.000 1.363 195 I CB -0.301 37.798 38.000 0.166 0.000 1.051 195 I HN -0.125 8.242 8.210 0.260 0.000 0.413 196 E N 0.414 120.792 120.200 0.296 0.000 2.085 196 E HA -0.376 4.101 4.350 0.212 0.000 0.194 196 E C 2.294 179.107 176.600 0.354 0.000 0.994 196 E CA 2.959 59.543 56.400 0.307 0.000 0.801 196 E CB -0.111 29.789 29.700 0.334 0.000 0.743 196 E HN -0.373 8.173 8.360 0.309 0.000 0.453 197 F N 0.336 120.451 119.950 0.276 0.000 2.102 197 F HA -0.262 4.421 4.527 -0.007 -0.161 0.298 197 F C 2.204 178.015 175.800 0.018 0.000 1.105 197 F CA 3.286 61.285 58.000 -0.002 0.000 1.239 197 F CB 0.301 39.083 39.000 -0.363 0.000 0.991 197 F HN -0.829 7.856 8.300 0.642 0.000 0.474 198 V N -1.381 118.610 119.914 0.128 0.000 2.343 198 V HA -0.636 3.472 4.120 -0.020 0.000 0.247 198 V C 1.655 177.738 176.094 -0.019 0.000 1.051 198 V CA 4.388 66.718 62.300 0.050 0.000 1.036 198 V CB 0.014 31.946 31.823 0.182 0.000 0.654 198 V HN -0.199 8.163 8.190 0.286 0.000 0.451 199 T N -3.619 110.956 114.554 0.035 0.000 2.995 199 T HA -0.284 4.080 4.350 0.022 0.000 0.269 199 T C 1.770 176.457 174.700 -0.021 0.000 1.091 199 T CA 2.768 64.882 62.100 0.024 0.000 1.128 199 T CB 0.009 68.913 68.868 0.060 0.000 0.891 199 T HN -0.192 8.097 8.240 0.082 0.000 0.492 200 Q N -0.177 119.587 119.800 -0.059 0.000 2.297 200 Q HA -0.220 4.095 4.340 -0.041 0.000 0.204 200 Q C 1.500 177.417 176.000 -0.139 0.000 0.962 200 Q CA 2.622 58.374 55.803 -0.086 0.000 0.879 200 Q CB 0.113 28.794 28.738 -0.095 0.000 0.947 200 Q HN -0.602 7.612 8.270 -0.061 0.020 0.462 201 R N -5.111 115.272 120.500 -0.194 0.000 2.373 201 R HA 0.094 4.339 4.340 -0.157 0.000 0.221 201 R C -0.303 175.940 176.300 -0.095 0.000 0.893 201 R CA 0.165 56.156 56.100 -0.182 0.000 1.049 201 R CB 1.454 31.569 30.300 -0.309 0.000 1.119 201 R HN -0.656 7.335 8.270 -0.204 0.157 0.535 202 N N 0.176 118.839 118.700 -0.063 0.000 2.682 202 N HA 0.264 4.988 4.740 -0.027 0.000 0.252 202 N C -0.694 174.806 175.510 -0.016 0.000 1.081 202 N CA -0.371 52.663 53.050 -0.027 0.000 0.844 202 N CB 1.364 39.849 38.487 -0.003 0.000 1.167 202 N HN -0.397 7.944 8.380 -0.065 0.000 0.523 203 c N 2.202 120.790 118.600 -0.019 0.000 2.491 203 c HA -0.018 4.545 4.570 -0.012 0.000 0.277 203 c C 0.305 174.389 174.090 -0.010 0.000 1.455 203 c CA 1.347 57.667 56.329 -0.013 0.000 1.758 203 c CB -1.558 40.943 42.510 -0.015 0.000 1.745 203 c HN 0.815 9.032 8.230 -0.021 0.000 0.558 204 N N -2.268 116.425 118.700 -0.012 0.000 2.336 204 N HA -0.098 4.629 4.740 -0.021 0.000 0.189 204 N C -1.209 174.287 175.510 -0.022 0.000 1.113 204 N CA 0.146 53.184 53.050 -0.020 0.000 0.858 204 N CB -0.470 38.002 38.487 -0.025 0.000 0.970 204 N HN 0.212 8.542 8.380 -0.012 0.042 0.471 205 L N -1.757 119.466 121.223 -0.001 0.000 2.322 205 L HA 0.669 5.154 4.340 0.004 -0.142 0.269 205 L C -0.647 176.245 176.870 0.036 0.000 1.012 205 L CA -0.938 53.914 54.840 0.020 0.000 0.815 205 L CB 2.469 44.558 42.059 0.051 0.000 1.295 205 L HN -0.552 7.626 8.230 0.003 0.054 0.438 206 T N -0.868 113.723 114.554 0.061 0.000 2.821 206 T HA 0.340 4.727 4.350 0.062 0.000 0.306 206 T C -2.273 172.487 174.700 0.099 0.000 1.313 206 T CA -1.790 60.351 62.100 0.068 0.000 1.012 206 T CB 2.563 71.461 68.868 0.051 0.000 1.298 206 T HN 0.403 8.689 8.240 0.076 0.000 0.502 207 Q N 4.138 123.989 119.800 0.085 0.000 2.288 207 Q HA 0.433 5.043 4.340 0.096 -0.212 0.254 207 Q C -0.507 175.539 176.000 0.076 0.000 0.932 207 Q CA -0.223 55.630 55.803 0.083 0.000 0.902 207 Q CB 1.208 29.985 28.738 0.064 0.000 1.203 207 Q HN 0.210 8.524 8.270 0.074 0.000 0.415 208 I N 6.273 126.889 120.570 0.075 0.000 2.339 208 I HA 0.113 4.323 4.170 0.066 0.000 0.290 208 I C -0.326 175.808 176.117 0.028 0.000 0.994 208 I CA -1.711 59.626 61.300 0.061 0.000 1.191 208 I CB -0.690 37.350 38.000 0.066 0.000 1.343 208 I HN 0.246 8.501 8.210 0.075 0.000 0.458 209 G N 5.421 114.235 108.800 0.023 0.000 2.645 209 G HA2 -0.368 3.599 3.960 0.012 0.000 0.246 209 G HA3 -0.368 3.597 3.960 0.009 0.000 0.246 209 G C -1.259 173.645 174.900 0.006 0.000 1.322 209 G CA 0.070 45.177 45.100 0.012 0.000 0.898 209 G HN 0.103 8.410 8.290 0.028 0.000 0.573 210 G N -2.135 106.664 108.800 -0.002 0.000 2.736 210 G HA2 0.177 4.130 3.960 -0.012 0.000 0.229 210 G HA3 0.177 4.128 3.960 -0.015 0.000 0.229 210 G C -1.582 173.297 174.900 -0.034 0.000 1.380 210 G CA -0.825 44.266 45.100 -0.014 0.000 1.040 210 G HN 0.057 8.348 8.290 0.001 0.000 0.568 211 L N -1.589 119.601 121.223 -0.054 0.000 2.349 211 L HA 0.019 4.455 4.340 -0.107 -0.161 0.275 211 L C 0.785 177.590 176.870 -0.109 0.000 1.115 211 L CA 0.276 55.057 54.840 -0.097 0.000 0.820 211 L CB 0.760 42.751 42.059 -0.112 0.000 1.135 211 L HN -0.008 8.192 8.230 -0.049 0.000 0.445 212 I N 0.990 121.451 120.570 -0.181 0.000 2.716 212 I HA -0.084 4.032 4.170 -0.090 0.000 0.259 212 I C -0.126 175.799 176.117 -0.321 0.000 1.172 212 I CA 1.599 62.759 61.300 -0.233 0.000 1.478 212 I CB 0.905 38.659 38.000 -0.410 0.000 1.104 212 I HN 0.617 8.698 8.210 -0.215 0.000 0.439 213 D N -2.606 117.563 120.400 -0.383 0.000 2.752 213 D HA 0.112 4.608 4.640 -0.239 0.000 0.313 213 D C -2.092 174.051 176.300 -0.262 0.000 1.225 213 D CA -1.383 52.405 54.000 -0.354 0.000 0.976 213 D CB 1.816 42.251 40.800 -0.608 0.000 1.443 213 D HN -0.561 7.588 8.370 -0.368 0.000 0.515 214 S N -0.536 115.031 115.700 -0.221 0.000 2.647 214 S HA 0.612 5.104 4.470 -0.200 -0.141 0.300 214 S C -0.509 173.969 174.600 -0.204 0.000 1.129 214 S CA -1.130 56.955 58.200 -0.191 0.000 1.029 214 S CB 2.183 65.300 63.200 -0.138 0.000 1.007 214 S HN 0.054 8.239 8.310 -0.208 0.000 0.484 215 K N 2.686 122.941 120.400 -0.242 0.000 2.533 215 K HA 0.306 4.494 4.320 -0.220 0.000 0.284 215 K C -2.656 173.750 176.600 -0.324 0.000 1.025 215 K CA -1.497 54.635 56.287 -0.258 0.000 0.900 215 K CB 2.765 35.110 32.500 -0.259 0.000 1.519 215 K HN 0.529 8.623 8.250 -0.261 0.000 0.432 216 G N -2.758 105.840 108.800 -0.336 0.000 2.537 216 G HA2 0.638 4.453 3.960 -0.469 0.000 0.308 216 G HA3 0.638 4.399 3.960 -0.332 0.000 0.308 216 G C -2.128 172.514 174.900 -0.429 0.000 1.237 216 G CA -1.569 43.289 45.100 -0.403 0.000 0.968 216 G HN 0.078 8.184 8.290 -0.305 0.000 0.481 217 Y N -0.578 119.422 120.300 -0.499 0.000 2.308 217 Y HA 0.577 5.062 4.550 -0.431 -0.194 0.329 217 Y C -0.324 175.102 175.900 -0.789 0.000 1.111 217 Y CA -2.374 55.341 58.100 -0.642 0.000 1.179 217 Y CB 1.279 39.213 38.460 -0.876 0.000 1.201 217 Y HN -0.104 7.806 8.280 -0.616 0.000 0.483 218 G N -0.290 108.431 108.800 -0.132 0.000 2.605 218 G HA2 0.576 4.611 3.960 0.125 0.000 0.296 218 G HA3 0.576 4.657 3.960 0.202 0.000 0.296 218 G C -2.223 172.975 174.900 0.498 0.000 1.304 218 G CA -1.431 43.772 45.100 0.171 0.000 0.941 218 G HN -0.062 8.242 8.290 0.023 0.000 0.475 219 V N 0.886 121.090 119.914 0.482 0.000 2.508 219 V HA -0.118 4.312 4.120 0.281 -0.141 0.281 219 V C -0.039 176.142 176.094 0.146 0.000 1.041 219 V CA 0.581 63.053 62.300 0.286 0.000 1.016 219 V CB 0.636 32.564 31.823 0.176 0.000 0.984 219 V HN 0.005 8.473 8.190 0.463 0.000 0.478 220 G N 6.025 114.807 108.800 -0.030 0.000 2.395 220 G HA2 0.585 4.380 3.960 -0.550 0.000 0.283 220 G HA3 0.585 4.290 3.960 -0.425 0.000 0.283 220 G C -2.052 172.686 174.900 -0.269 0.000 1.178 220 G CA -1.290 43.605 45.100 -0.341 0.000 0.837 220 G HN 0.147 8.433 8.290 -0.007 0.000 0.518 221 T N -1.380 112.986 114.554 -0.313 0.000 2.896 221 T HA 0.737 4.942 4.350 -0.241 0.000 0.297 221 T C -2.488 172.047 174.700 -0.274 0.000 1.108 221 T CA -3.434 58.522 62.100 -0.241 0.000 1.004 221 T CB 1.891 70.676 68.868 -0.139 0.000 1.159 221 T HN 0.482 8.485 8.240 -0.396 0.000 0.499 222 P HA -0.017 4.251 4.420 -0.253 0.000 0.269 222 P C -0.726 176.474 177.300 -0.166 0.000 1.215 222 P CA 0.227 63.166 63.100 -0.268 0.000 0.780 222 P CB 0.604 32.003 31.700 -0.503 0.000 0.898 223 M N 3.382 122.915 119.600 -0.111 0.000 2.260 223 M HA -0.591 3.971 4.480 -0.087 -0.134 0.348 223 M C 0.948 177.233 176.300 -0.024 0.000 1.342 223 M CA 2.184 57.443 55.300 -0.069 0.000 1.040 223 M CB 0.151 32.719 32.600 -0.053 0.000 1.810 223 M HN 0.539 8.766 8.290 -0.105 0.000 0.453 224 G N 4.797 113.582 108.800 -0.026 0.000 2.179 224 G HA2 -0.424 3.530 3.960 -0.011 0.000 0.260 224 G HA3 -0.424 3.538 3.960 0.002 0.000 0.260 224 G C -0.695 174.196 174.900 -0.014 0.000 0.977 224 G CA -0.247 44.846 45.100 -0.010 0.000 0.641 224 G HN 0.457 9.067 8.290 -0.033 -0.340 0.533 225 S N 1.960 117.642 115.700 -0.029 0.000 2.549 225 S HA 0.203 4.667 4.470 -0.009 0.000 0.286 225 S C 0.437 175.026 174.600 -0.019 0.000 1.314 225 S CA -2.292 55.898 58.200 -0.016 0.000 1.062 225 S CB 0.928 64.120 63.200 -0.015 0.000 0.865 225 S HN -0.574 7.663 8.310 -0.047 0.045 0.498 226 P HA 0.016 4.379 4.420 -0.094 0.000 0.229 226 P C 0.319 177.506 177.300 -0.187 0.000 1.160 226 P CA 1.299 64.315 63.100 -0.141 0.000 0.777 226 P CB 0.133 31.703 31.700 -0.216 0.000 0.814 227 Y N -1.408 118.856 120.300 -0.060 0.000 2.439 227 Y HA -0.296 4.231 4.550 -0.038 0.000 0.292 227 Y C 1.735 177.614 175.900 -0.036 0.000 1.130 227 Y CA 3.144 61.207 58.100 -0.062 0.000 1.254 227 Y CB -0.577 37.804 38.460 -0.132 0.000 1.000 227 Y HN -0.418 7.859 8.280 0.052 0.034 0.554 228 R N -0.329 120.223 120.500 0.086 0.000 2.097 228 R HA -0.506 3.876 4.340 0.071 0.000 0.236 228 R C 1.399 177.738 176.300 0.065 0.000 1.135 228 R CA 4.609 60.746 56.100 0.062 0.000 0.934 228 R CB -0.332 29.985 30.300 0.029 0.000 0.846 228 R HN -0.829 7.450 8.270 0.060 0.028 0.431 229 D N -3.342 117.080 120.400 0.038 0.000 2.224 229 D HA -0.126 4.540 4.640 0.043 0.000 0.205 229 D C 2.143 178.468 176.300 0.041 0.000 0.965 229 D CA 2.962 56.982 54.000 0.034 0.000 0.852 229 D CB -0.754 40.054 40.800 0.013 0.000 0.947 229 D HN 0.196 8.578 8.370 0.020 0.000 0.494 230 K N 0.261 120.687 120.400 0.042 0.000 2.097 230 K HA -0.230 4.118 4.320 0.048 0.000 0.205 230 K C 2.512 179.177 176.600 0.108 0.000 1.050 230 K CA 3.323 59.649 56.287 0.065 0.000 0.938 230 K CB 0.055 32.590 32.500 0.058 0.000 0.718 230 K HN -0.894 7.373 8.250 0.028 0.000 0.442 231 I N -0.091 120.560 120.570 0.135 0.000 2.353 231 I HA -0.455 3.808 4.170 0.155 0.000 0.248 231 I C 1.515 177.700 176.117 0.113 0.000 1.119 231 I CA 3.941 65.326 61.300 0.142 0.000 1.417 231 I CB -0.123 37.965 38.000 0.146 0.000 1.078 231 I HN -0.056 8.237 8.210 0.137 0.000 0.421 232 T N 3.300 117.914 114.554 0.101 0.000 2.665 232 T HA -0.440 3.973 4.350 0.105 0.000 0.268 232 T C 1.784 176.522 174.700 0.063 0.000 1.035 232 T CA 5.548 67.701 62.100 0.088 0.000 1.151 232 T CB -0.146 68.765 68.868 0.071 0.000 0.862 232 T HN -0.336 7.962 8.240 0.097 0.000 0.438 233 L N -0.435 120.818 121.223 0.050 0.000 2.046 233 L HA -0.371 3.983 4.340 0.023 0.000 0.208 233 L C 1.742 178.618 176.870 0.010 0.000 1.077 233 L CA 3.114 57.970 54.840 0.028 0.000 0.747 233 L CB -0.443 41.630 42.059 0.024 0.000 0.896 233 L HN -0.545 7.717 8.230 0.053 0.000 0.432 234 A N -0.541 122.290 122.820 0.018 0.000 1.902 234 A HA -0.338 3.919 4.320 -0.104 0.000 0.217 234 A C 2.053 179.614 177.584 -0.038 0.000 1.181 234 A CA 3.076 55.091 52.037 -0.037 0.000 0.623 234 A CB -0.937 18.075 19.000 0.020 0.000 0.818 234 A HN -0.411 7.768 8.150 0.048 0.000 0.443 235 I N -1.361 119.229 120.570 0.034 0.000 2.163 235 I HA -0.639 3.567 4.170 0.060 0.000 0.243 235 I C 1.732 177.879 176.117 0.050 0.000 1.085 235 I CA 4.586 65.927 61.300 0.069 0.000 1.347 235 I CB -0.003 38.086 38.000 0.148 0.000 1.044 235 I HN -0.161 8.085 8.210 0.060 0.000 0.408 236 L N -1.539 119.706 121.223 0.038 0.000 2.131 236 L HA -0.356 4.171 4.340 0.037 -0.165 0.210 236 L C 2.409 179.280 176.870 0.001 0.000 1.092 236 L CA 2.938 57.793 54.840 0.025 0.000 0.759 236 L CB -0.653 41.419 42.059 0.021 0.000 0.903 236 L HN -0.206 8.048 8.230 0.040 0.000 0.435 237 K N -0.079 120.302 120.400 -0.032 0.000 2.062 237 K HA -0.239 4.059 4.320 -0.038 0.000 0.205 237 K C 2.380 178.943 176.600 -0.060 0.000 1.051 237 K CA 3.167 59.417 56.287 -0.061 0.000 0.941 237 K CB 0.002 32.428 32.500 -0.122 0.000 0.719 237 K HN -0.541 7.678 8.250 -0.040 0.008 0.440 238 L N -1.061 120.120 121.223 -0.070 0.000 2.079 238 L HA -0.320 4.000 4.340 -0.034 0.000 0.210 238 L C 2.191 179.079 176.870 0.029 0.000 1.081 238 L CA 2.935 57.760 54.840 -0.026 0.000 0.752 238 L CB -0.331 41.719 42.059 -0.014 0.000 0.896 238 L HN -0.023 8.156 8.230 -0.084 0.000 0.433 239 Q N -1.399 118.426 119.800 0.042 0.000 2.016 239 Q HA -0.402 3.989 4.340 0.087 0.000 0.200 239 Q C 2.662 178.686 176.000 0.041 0.000 0.978 239 Q CA 3.041 58.881 55.803 0.063 0.000 0.833 239 Q CB -0.439 28.339 28.738 0.066 0.000 0.895 239 Q HN -0.048 8.234 8.270 0.036 0.010 0.427 240 E N 0.257 120.469 120.200 0.021 0.000 2.097 240 E HA -0.289 4.067 4.350 0.010 0.000 0.196 240 E C 2.092 178.700 176.600 0.014 0.000 1.000 240 E CA 2.654 59.061 56.400 0.011 0.000 0.804 240 E CB -0.088 29.613 29.700 0.003 0.000 0.740 240 E HN -0.625 7.744 8.360 0.016 0.000 0.454 241 E N -4.056 116.155 120.200 0.018 0.000 2.418 241 E HA -0.135 4.229 4.350 0.023 0.000 0.197 241 E C 0.535 177.160 176.600 0.043 0.000 1.026 241 E CA 0.131 56.548 56.400 0.027 0.000 0.862 241 E CB 0.446 30.163 29.700 0.029 0.000 0.799 241 E HN -0.484 7.875 8.360 0.014 0.009 0.518 242 G N -2.208 106.625 108.800 0.055 0.000 2.157 242 G HA2 -0.446 3.567 3.960 0.088 0.000 0.248 242 G HA3 -0.446 3.560 3.960 0.076 0.000 0.248 242 G C 0.488 175.468 174.900 0.133 0.000 0.979 242 G CA 0.480 45.633 45.100 0.088 0.000 0.650 242 G HN 0.050 8.203 8.290 0.052 0.168 0.529 243 K N 0.946 121.407 120.400 0.102 0.000 2.103 243 K HA -0.218 4.163 4.320 0.101 0.000 0.204 243 K C 1.509 178.179 176.600 0.115 0.000 1.052 243 K CA 3.017 59.362 56.287 0.098 0.000 0.945 243 K CB 0.009 32.553 32.500 0.073 0.000 0.722 243 K HN -0.398 7.857 8.250 0.081 0.044 0.443 244 L N -2.716 118.590 121.223 0.139 0.000 2.093 244 L HA -0.323 4.112 4.340 0.158 0.000 0.208 244 L C 1.365 178.385 176.870 0.249 0.000 1.085 244 L CA 3.080 58.038 54.840 0.196 0.000 0.755 244 L CB -0.479 41.719 42.059 0.232 0.000 0.904 244 L HN -0.779 7.529 8.230 0.130 0.000 0.435 245 H N -0.124 119.020 119.070 0.124 0.000 2.389 245 H HA -0.269 4.344 4.556 0.096 0.000 0.299 245 H C 1.756 177.154 175.328 0.118 0.000 1.081 245 H CA 3.399 59.507 56.048 0.100 0.000 1.345 245 H CB 0.229 30.026 29.762 0.059 0.000 1.393 245 H HN -0.391 8.067 8.280 0.297 0.000 0.520 246 M N -1.130 118.520 119.600 0.083 0.000 2.175 246 M HA -0.324 4.277 4.480 -0.059 -0.157 0.264 246 M C 2.545 178.882 176.300 0.063 0.000 1.063 246 M CA 3.740 59.057 55.300 0.028 0.000 1.119 246 M CB 0.173 32.832 32.600 0.099 0.000 1.377 246 M HN -0.540 7.869 8.290 0.198 0.000 0.415 247 M N -0.926 118.763 119.600 0.148 0.000 2.175 247 M HA -0.439 4.188 4.480 0.246 0.000 0.264 247 M C 1.860 178.485 176.300 0.541 0.000 1.063 247 M CA 4.327 59.791 55.300 0.272 0.000 1.119 247 M CB -0.157 32.493 32.600 0.083 0.000 1.377 247 M HN -0.237 8.057 8.290 0.144 0.082 0.415 248 K N -0.050 120.614 120.400 0.439 0.000 2.026 248 K HA -0.447 4.188 4.320 0.525 0.000 0.208 248 K C 1.692 178.464 176.600 0.286 0.000 1.048 248 K CA 3.889 60.359 56.287 0.305 0.000 0.929 248 K CB -0.183 32.241 32.500 -0.126 0.000 0.713 248 K HN -0.271 8.175 8.250 0.327 0.000 0.439 249 E N -1.094 119.129 120.200 0.039 0.000 2.085 249 E HA -0.424 3.953 4.350 0.046 0.000 0.194 249 E C 1.875 178.535 176.600 0.100 0.000 0.994 249 E CA 3.201 59.610 56.400 0.015 0.000 0.801 249 E CB -0.101 29.511 29.700 -0.146 0.000 0.743 249 E HN -0.409 7.895 8.360 -0.093 0.000 0.453 250 K N -0.900 119.537 120.400 0.061 0.000 2.032 250 K HA -0.283 3.949 4.320 -0.146 0.000 0.209 250 K C 2.491 178.978 176.600 -0.188 0.000 1.048 250 K CA 2.767 58.974 56.287 -0.133 0.000 0.927 250 K CB -0.095 32.244 32.500 -0.268 0.000 0.712 250 K HN -0.509 7.788 8.250 0.078 0.000 0.441 251 W N -4.649 116.834 121.300 0.306 0.000 2.942 251 W HA -0.059 4.677 4.660 0.127 0.000 0.263 251 W C 1.378 178.023 176.519 0.211 0.000 1.296 251 W CA 0.751 58.233 57.345 0.228 0.000 1.504 251 W CB 0.784 30.377 29.460 0.222 0.000 1.096 251 W HN -0.744 7.757 8.180 0.536 0.000 0.639 252 W N -3.156 118.316 121.300 0.287 0.000 3.114 252 W HA 0.056 5.019 4.660 0.505 0.000 0.279 252 W C -0.015 176.599 176.519 0.158 0.000 1.277 252 W CA 1.869 59.393 57.345 0.297 0.000 1.630 252 W CB 1.535 31.117 29.460 0.203 0.000 1.087 252 W HN -0.226 8.423 8.180 0.781 0.000 0.637 257 c N 0.792 119.386 118.600 -0.010 0.000 2.698 257 c HA 0.492 5.054 4.570 -0.012 0.000 0.309 257 c C -2.335 171.753 174.090 -0.003 0.000 1.186 257 c CA -1.944 54.380 56.329 -0.009 0.000 1.474 257 c CB 0.866 43.371 42.510 -0.008 0.000 2.020 257 c HN 0.061 8.288 8.230 -0.005 0.000 0.474 258 P HA 0.072 4.492 4.420 -0.000 0.000 0.268 258 P C -1.457 175.844 177.300 0.001 0.000 1.204 258 P CA 0.196 63.295 63.100 -0.001 0.000 0.768 258 P CB 0.550 32.248 31.700 -0.003 0.000 0.842 259 E N 0.000 120.202 120.200 0.003 0.000 2.725 259 E HA 0.000 4.352 4.350 0.003 0.000 0.291 259 E CA 0.000 56.402 56.400 0.004 0.000 0.976 259 E CB 0.000 29.703 29.700 0.005 0.000 0.812 259 E HN 0.000 8.362 8.360 0.003 0.000 0.440