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 3g3k_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 LAILKLQEQG KLHMMKEKWW DATA SEQUENCE RXXGcP 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 0.048 0.000 0.220 3 N C 0.000 175.546 175.510 0.060 0.000 1.280 3 N CA 0.000 53.085 53.050 0.058 0.000 0.885 3 N CB 0.000 38.536 38.487 0.081 0.000 1.341 4 R N 0.834 121.367 120.500 0.056 0.000 2.585 4 R HA -0.042 4.320 4.340 0.036 0.000 0.275 4 R C 0.008 176.342 176.300 0.057 0.000 1.018 4 R CA 0.153 56.281 56.100 0.046 0.000 1.072 4 R CB 0.783 31.105 30.300 0.037 0.000 0.953 4 R HN 0.197 8.500 8.270 0.056 0.000 0.419 5 S N 3.116 118.844 115.700 0.047 0.000 2.568 5 S HA -0.203 4.420 4.470 0.105 -0.089 0.282 5 S C 0.354 174.971 174.600 0.028 0.000 1.338 5 S CA 0.078 58.316 58.200 0.064 0.000 1.045 5 S CB 0.958 64.183 63.200 0.042 0.000 0.873 5 S HN -0.050 8.281 8.310 0.036 0.000 0.516 6 L N 2.788 124.019 121.223 0.013 0.000 2.349 6 L HA 0.033 4.421 4.340 -0.142 -0.133 0.275 6 L C -0.188 176.656 176.870 -0.044 0.000 1.115 6 L CA -0.527 54.241 54.840 -0.121 0.000 0.820 6 L CB 0.866 42.686 42.059 -0.400 0.000 1.135 6 L HN 0.101 8.372 8.230 0.068 0.000 0.445 7 I N 3.113 123.635 120.570 -0.079 0.000 2.352 7 I HA 0.125 4.437 4.170 -0.011 -0.148 0.290 7 I C -0.382 175.673 176.117 -0.103 0.000 1.036 7 I CA -2.288 58.980 61.300 -0.054 0.000 1.336 7 I CB -1.207 36.763 38.000 -0.050 0.000 1.407 7 I HN 0.309 8.794 8.210 -0.102 -0.337 0.497 8 V N 8.913 128.779 119.914 -0.079 0.000 2.334 8 V HA 0.416 4.641 4.120 -0.170 -0.207 0.281 8 V C -0.882 175.123 176.094 -0.149 0.000 1.016 8 V CA -1.514 60.703 62.300 -0.139 0.000 0.832 8 V CB 1.496 33.227 31.823 -0.154 0.000 0.999 8 V HN 0.600 8.770 8.190 -0.032 0.000 0.439 9 T N 8.849 123.308 114.554 -0.157 0.000 2.897 9 T HA 0.703 5.199 4.350 -0.154 -0.239 0.294 9 T C -0.708 173.874 174.700 -0.196 0.000 1.004 9 T CA -0.715 61.288 62.100 -0.160 0.000 1.106 9 T CB 0.860 69.647 68.868 -0.136 0.000 0.949 9 T HN 0.244 8.388 8.240 -0.160 0.000 0.520 10 T N 5.169 119.587 114.554 -0.228 0.000 2.671 10 T HA 0.386 4.595 4.350 -0.235 0.000 0.300 10 T C -2.643 171.894 174.700 -0.271 0.000 1.238 10 T CA -2.184 59.759 62.100 -0.262 0.000 1.020 10 T CB 1.838 70.511 68.868 -0.325 0.000 1.503 10 T HN -0.332 7.776 8.240 -0.219 0.000 0.497 11 I N -0.421 119.977 120.570 -0.286 0.000 2.827 11 I HA 0.212 4.236 4.170 -0.242 0.000 0.298 11 I C -2.655 173.332 176.117 -0.217 0.000 1.235 11 I CA -1.506 59.624 61.300 -0.282 0.000 1.021 11 I CB 4.045 41.767 38.000 -0.464 0.000 1.259 11 I HN 0.158 8.203 8.210 -0.274 0.000 0.427 12 L N 4.299 125.422 121.223 -0.166 0.000 2.410 12 L HA -0.037 4.333 4.340 -0.158 -0.126 0.273 12 L C -0.950 175.890 176.870 -0.050 0.000 1.144 12 L CA 0.086 54.849 54.840 -0.129 0.000 0.863 12 L CB 0.225 42.216 42.059 -0.114 0.000 1.140 12 L HN 0.176 8.315 8.230 -0.150 0.000 0.463 13 E N 4.322 124.505 120.200 -0.029 0.000 2.428 13 E HA 0.215 4.597 4.350 0.054 0.000 0.307 13 E C -2.289 174.303 176.600 -0.015 0.000 0.902 13 E CA -0.631 55.794 56.400 0.041 0.000 0.799 13 E CB 2.852 32.629 29.700 0.128 0.000 1.351 13 E HN 0.355 8.680 8.360 -0.058 0.000 0.392 14 E N 6.427 126.571 120.200 -0.094 0.000 2.384 14 E HA 0.024 4.176 4.350 -0.330 0.000 0.266 14 E C -1.036 175.175 176.600 -0.648 0.000 1.012 14 E CA -1.693 54.515 56.400 -0.320 0.000 0.901 14 E CB 0.135 29.700 29.700 -0.226 0.000 0.967 14 E HN 0.163 8.495 8.360 -0.048 0.000 0.435 15 P HA 0.282 4.304 4.420 -0.664 0.000 0.263 15 P C -0.620 176.210 177.300 -0.783 0.000 1.448 15 P CA 0.005 62.536 63.100 -0.949 0.000 0.983 15 P CB 0.484 31.444 31.700 -1.234 0.000 1.481 16 Y N 0.705 120.760 120.300 -0.408 0.000 2.184 16 Y HA -0.142 4.303 4.550 -0.175 0.000 0.290 16 Y C 0.182 175.898 175.900 -0.307 0.000 1.129 16 Y CA 4.688 62.642 58.100 -0.243 0.000 1.144 16 Y CB 0.827 39.226 38.460 -0.102 0.000 0.995 16 Y HN -0.390 7.626 8.280 -0.318 0.074 0.513 17 V N -3.600 116.239 119.914 -0.124 0.000 2.610 17 V HA 0.381 4.529 4.120 -0.194 -0.144 0.298 17 V C -1.925 174.082 176.094 -0.145 0.000 1.067 17 V CA -0.654 61.550 62.300 -0.160 0.000 0.894 17 V CB 2.247 33.972 31.823 -0.163 0.000 1.015 17 V HN -0.403 7.731 8.190 -0.093 0.000 0.432 18 L N 3.129 124.284 121.223 -0.112 0.000 2.415 18 L HA 0.460 4.739 4.340 -0.103 0.000 0.256 18 L C -1.435 175.427 176.870 -0.012 0.000 1.010 18 L CA -1.239 53.560 54.840 -0.068 0.000 0.826 18 L CB 4.130 46.179 42.059 -0.017 0.000 1.405 18 L HN 0.434 8.605 8.230 -0.098 0.000 0.410 19 F N 1.799 121.774 119.950 0.042 0.000 2.467 19 F HA 0.286 4.913 4.527 -0.139 -0.183 0.362 19 F C 0.450 176.231 175.800 -0.032 0.000 1.090 19 F CA 0.191 58.154 58.000 -0.061 0.000 1.202 19 F CB 0.831 39.772 39.000 -0.099 0.000 1.113 19 F HN 0.191 8.517 8.300 0.044 0.000 0.541 20 K N 3.917 124.416 120.400 0.165 0.000 2.485 20 K HA -0.202 4.344 4.320 0.126 -0.150 0.277 20 K C 0.349 176.987 176.600 0.063 0.000 0.990 20 K CA 0.703 57.055 56.287 0.107 0.000 0.994 20 K CB 0.532 33.078 32.500 0.077 0.000 0.906 20 K HN -0.245 8.090 8.250 0.142 0.000 0.488 21 K N 3.142 123.579 120.400 0.061 0.000 2.276 21 K HA 0.035 4.363 4.320 0.013 0.000 0.283 21 K C -0.720 175.882 176.600 0.003 0.000 1.044 21 K CA 0.632 56.935 56.287 0.027 0.000 0.944 21 K CB 0.540 33.065 32.500 0.041 0.000 1.012 21 K HN 0.328 8.625 8.250 0.079 0.000 0.472 22 S N 2.239 117.924 115.700 -0.026 0.000 2.543 22 S HA 0.166 4.625 4.470 -0.018 0.000 0.274 22 S C -0.649 173.923 174.600 -0.047 0.000 1.149 22 S CA -1.281 56.899 58.200 -0.034 0.000 0.866 22 S CB 1.313 64.483 63.200 -0.049 0.000 1.111 22 S HN 0.132 8.418 8.310 -0.040 0.000 0.457 23 D N 1.752 122.131 120.400 -0.035 0.000 2.249 23 D HA 0.071 4.686 4.640 -0.042 0.000 0.205 23 D C 0.160 176.432 176.300 -0.047 0.000 0.962 23 D CA 1.097 55.075 54.000 -0.037 0.000 0.860 23 D CB 0.358 41.144 40.800 -0.022 0.000 0.955 23 D HN 0.187 8.542 8.370 -0.025 0.000 0.505 24 K N 0.528 120.901 120.400 -0.045 0.000 2.144 24 K HA 0.348 4.644 4.320 -0.040 0.000 0.270 24 K C -2.196 174.341 176.600 -0.105 0.000 1.005 24 K CA -2.713 53.545 56.287 -0.047 0.000 0.932 24 K CB 0.376 32.868 32.500 -0.014 0.000 1.021 24 K HN -0.599 7.629 8.250 -0.037 0.000 0.462 25 P HA -0.078 4.149 4.420 -0.321 0.000 0.268 25 P C -1.305 175.730 177.300 -0.442 0.000 1.205 25 P CA -0.142 62.766 63.100 -0.319 0.000 0.771 25 P CB 0.517 32.023 31.700 -0.323 0.000 0.858 26 L N 0.760 121.647 121.223 -0.560 0.000 2.330 26 L HA 0.225 4.387 4.340 -0.296 0.000 0.271 26 L C -0.829 175.618 176.870 -0.705 0.000 1.013 26 L CA -1.071 53.497 54.840 -0.452 0.000 0.816 26 L CB 2.322 44.236 42.059 -0.241 0.000 1.287 26 L HN -0.248 7.662 8.230 -0.534 0.000 0.435 27 Y N 1.295 121.567 120.300 -0.046 0.000 2.512 27 Y HA 0.151 4.680 4.550 -0.035 0.000 0.348 27 Y C 0.371 176.273 175.900 0.005 0.000 0.990 27 Y CA -0.274 57.811 58.100 -0.026 0.000 1.033 27 Y CB 2.915 41.366 38.460 -0.015 0.000 1.259 27 Y HN 0.087 8.376 8.280 0.015 0.000 0.461 28 G N 2.442 111.353 108.800 0.184 0.000 2.596 28 G HA2 -0.561 3.517 3.960 0.196 0.000 0.295 28 G HA3 -0.561 3.496 3.960 0.160 0.000 0.295 28 G C 1.089 176.122 174.900 0.222 0.000 1.240 28 G CA 1.115 46.324 45.100 0.182 0.000 0.985 28 G HN 0.188 8.593 8.290 0.192 0.000 0.555 29 N N 3.316 122.147 118.700 0.219 0.000 2.381 29 N HA -0.216 4.825 4.740 0.500 0.000 0.182 29 N C 1.751 177.423 175.510 0.271 0.000 1.025 29 N CA 2.205 55.445 53.050 0.316 0.000 0.888 29 N CB -0.480 38.129 38.487 0.204 0.000 0.965 29 N HN 0.413 8.887 8.380 0.157 0.000 0.438 30 D N 0.365 120.851 120.400 0.143 0.000 2.350 30 D HA -0.147 4.558 4.640 0.109 0.000 0.216 30 D C 1.143 177.457 176.300 0.023 0.000 0.968 30 D CA 1.383 55.437 54.000 0.091 0.000 0.894 30 D CB -0.268 40.574 40.800 0.070 0.000 0.909 30 D HN -0.586 7.826 8.370 0.126 0.033 0.520 31 R N -2.390 118.057 120.500 -0.089 0.000 2.235 31 R HA -0.262 3.965 4.340 -0.189 0.000 0.213 31 R C -0.188 175.949 176.300 -0.271 0.000 1.059 31 R CA 2.349 58.280 56.100 -0.281 0.000 0.997 31 R CB 0.343 30.308 30.300 -0.557 0.000 0.884 31 R HN -0.636 7.545 8.270 -0.067 0.049 0.462 32 F N -3.755 116.271 119.950 0.128 0.000 2.492 32 F HA 0.767 5.505 4.527 0.032 -0.191 0.327 32 F C -1.379 174.437 175.800 0.027 0.000 1.079 32 F CA -1.667 56.359 58.000 0.044 0.000 0.967 32 F CB 3.245 42.233 39.000 -0.020 0.000 1.169 32 F HN -0.792 7.558 8.300 0.162 0.047 0.472 33 E N -2.721 117.575 120.200 0.161 0.000 2.458 33 E HA 0.354 4.751 4.350 0.077 0.000 0.278 33 E C -2.087 174.355 176.600 -0.263 0.000 1.004 33 E CA -2.039 54.392 56.400 0.053 0.000 0.823 33 E CB 3.673 33.496 29.700 0.205 0.000 1.396 33 E HN 0.324 8.765 8.360 0.135 0.000 0.463 34 G N -2.987 105.368 108.800 -0.742 0.000 2.353 34 G HA2 -0.199 1.967 3.960 -2.989 0.000 0.424 34 G HA3 -0.199 3.293 3.960 -1.006 -0.136 0.424 34 G C -1.367 172.679 174.900 -1.424 0.000 1.320 34 G CA -0.424 43.703 45.100 -1.623 0.000 0.995 34 G HN -0.250 7.718 8.290 -0.537 0.000 0.580 35 Y N 0.834 120.175 120.300 -1.599 0.000 2.114 35 Y HA -0.333 3.856 4.550 -0.601 0.000 0.282 35 Y C 1.174 176.904 175.900 -0.283 0.000 1.165 35 Y CA 4.031 61.718 58.100 -0.689 0.000 1.148 35 Y CB 0.651 38.982 38.460 -0.215 0.000 0.972 35 Y HN -0.226 7.226 8.280 -1.380 0.000 0.504 36 C N -3.175 116.128 119.300 0.005 0.000 2.446 36 C HA -0.410 3.983 4.460 -0.113 0.000 0.279 36 C C 1.750 176.609 174.990 -0.219 0.000 1.366 36 C CA 4.488 63.465 59.018 -0.068 0.000 1.763 36 C CB -0.223 27.537 27.740 0.033 0.000 1.929 36 C HN -0.249 7.900 8.230 0.048 0.110 0.509 37 I N 0.945 121.379 120.570 -0.228 0.000 2.252 37 I HA -0.489 3.572 4.170 -0.181 0.000 0.245 37 I C 1.681 177.714 176.117 -0.138 0.000 1.102 37 I CA 2.356 63.553 61.300 -0.172 0.000 1.385 37 I CB -1.206 36.736 38.000 -0.098 0.000 1.064 37 I HN -0.659 7.395 8.210 -0.261 0.000 0.414 38 D N -0.241 120.075 120.400 -0.141 0.000 2.144 38 D HA -0.281 4.353 4.640 -0.009 0.000 0.199 38 D C 2.420 178.615 176.300 -0.176 0.000 0.984 38 D CA 3.492 57.446 54.000 -0.076 0.000 0.834 38 D CB -0.326 40.496 40.800 0.038 0.000 0.955 38 D HN -0.192 8.064 8.370 -0.190 0.000 0.465 39 L N 0.390 121.424 121.223 -0.314 0.000 2.027 39 L HA -0.204 3.962 4.340 -0.289 0.000 0.206 39 L C 1.445 178.174 176.870 -0.235 0.000 1.074 39 L CA 2.752 57.395 54.840 -0.329 0.000 0.745 39 L CB -0.169 41.586 42.059 -0.506 0.000 0.898 39 L HN -0.415 7.587 8.230 -0.381 0.000 0.433 40 L N -1.157 119.912 121.223 -0.257 0.000 2.042 40 L HA -0.423 3.775 4.340 -0.236 0.000 0.210 40 L C 1.701 178.406 176.870 -0.275 0.000 1.076 40 L CA 3.213 57.880 54.840 -0.289 0.000 0.749 40 L CB -0.629 41.178 42.059 -0.419 0.000 0.893 40 L HN -0.174 7.893 8.230 -0.271 0.000 0.432 41 R N -1.550 118.848 120.500 -0.169 0.000 2.083 41 R HA -0.354 3.985 4.340 -0.002 0.000 0.237 41 R C 2.927 179.174 176.300 -0.088 0.000 1.137 41 R CA 3.683 59.747 56.100 -0.060 0.000 0.951 41 R CB -0.348 29.959 30.300 0.011 0.000 0.851 41 R HN -0.234 7.948 8.270 -0.147 0.000 0.434 42 E N -0.601 119.560 120.200 -0.065 0.000 2.077 42 E HA -0.272 4.086 4.350 0.013 0.000 0.193 42 E C 2.390 179.025 176.600 0.058 0.000 0.989 42 E CA 2.574 58.987 56.400 0.021 0.000 0.800 42 E CB -0.330 29.404 29.700 0.058 0.000 0.746 42 E HN -0.508 7.805 8.360 -0.077 0.000 0.452 43 L N -1.404 119.805 121.223 -0.023 0.000 2.046 43 L HA -0.387 4.015 4.340 0.103 0.000 0.208 43 L C 2.389 179.119 176.870 -0.233 0.000 1.077 43 L CA 3.349 58.197 54.840 0.014 0.000 0.747 43 L CB -0.505 41.620 42.059 0.109 0.000 0.896 43 L HN 0.244 8.435 8.230 -0.064 0.000 0.432 44 S N -1.336 114.014 115.700 -0.583 0.000 2.368 44 S HA -0.296 2.712 4.470 -2.436 0.000 0.225 44 S C 2.477 176.750 174.600 -0.545 0.000 1.030 44 S CA 3.637 61.166 58.200 -1.118 0.000 0.999 44 S CB -0.478 62.397 63.200 -0.542 0.000 0.844 44 S HN -0.013 8.046 8.310 -0.417 0.000 0.459 45 T N 4.055 118.424 114.554 -0.307 0.000 2.812 45 T HA -0.282 3.934 4.350 -0.224 0.000 0.264 45 T C 1.767 176.315 174.700 -0.254 0.000 1.042 45 T CA 4.371 66.311 62.100 -0.268 0.000 1.140 45 T CB 0.185 68.860 68.868 -0.321 0.000 0.870 45 T HN -0.563 7.521 8.240 -0.261 0.000 0.445 46 H N -0.251 118.766 119.070 -0.088 0.000 2.428 46 H HA -0.110 4.435 4.556 -0.020 0.000 0.296 46 H C 1.242 176.577 175.328 0.011 0.000 1.062 46 H CA 2.743 58.775 56.048 -0.027 0.000 1.350 46 H CB 0.397 30.153 29.762 -0.010 0.000 1.403 46 H HN -0.494 7.736 8.280 -0.084 0.000 0.533 47 L N -4.608 116.693 121.223 0.129 0.000 2.554 47 L HA 0.043 4.505 4.340 0.203 0.000 0.225 47 L C -0.222 176.765 176.870 0.195 0.000 1.104 47 L CA -0.150 54.821 54.840 0.218 0.000 0.866 47 L CB 0.783 43.112 42.059 0.451 0.000 1.047 47 L HN -0.154 8.106 8.230 0.051 0.000 0.468 48 G N -1.166 107.656 108.800 0.037 0.000 2.326 48 G HA2 -0.366 3.610 3.960 -0.033 0.000 0.286 48 G HA3 -0.366 3.638 3.960 0.074 0.000 0.286 48 G C -0.718 174.275 174.900 0.156 0.000 1.096 48 G CA 0.575 45.700 45.100 0.041 0.000 1.003 48 G HN -0.547 7.697 8.290 -0.077 0.000 0.503 49 F N -3.895 116.117 119.950 0.104 0.000 2.603 49 F HA 0.580 5.160 4.527 0.088 0.000 0.317 49 F C -2.392 173.474 175.800 0.110 0.000 1.066 49 F CA -3.287 54.774 58.000 0.102 0.000 0.941 49 F CB 1.993 41.050 39.000 0.095 0.000 1.291 49 F HN -0.669 7.415 8.300 -0.359 0.000 0.472 50 T N -3.421 111.327 114.554 0.322 0.000 2.952 50 T HA 0.254 4.642 4.350 0.063 0.000 0.286 50 T C -1.587 173.316 174.700 0.339 0.000 1.024 50 T CA -2.190 60.009 62.100 0.166 0.000 1.029 50 T CB 2.185 71.054 68.868 0.000 0.000 1.094 50 T HN 0.023 8.449 8.240 0.310 0.000 0.515 51 Y N -4.694 115.696 120.300 0.151 0.000 2.638 51 Y HA 0.779 5.630 4.550 0.081 -0.252 0.335 51 Y C -1.874 174.060 175.900 0.057 0.000 1.155 51 Y CA -1.964 56.204 58.100 0.114 0.000 1.046 51 Y CB 3.256 41.823 38.460 0.178 0.000 1.303 51 Y HN -0.145 7.867 8.280 -0.447 0.000 0.460 52 E N -0.658 119.666 120.200 0.206 0.000 2.241 52 E HA 0.417 5.005 4.350 0.132 -0.159 0.263 52 E C -1.282 175.406 176.600 0.147 0.000 0.882 52 E CA -1.590 54.895 56.400 0.142 0.000 0.769 52 E CB 3.698 33.441 29.700 0.071 0.000 1.185 52 E HN 0.251 8.730 8.360 0.198 0.000 0.415 53 I N 4.845 125.510 120.570 0.157 0.000 2.441 53 I HA 0.073 4.369 4.170 -0.071 -0.168 0.287 53 I C 0.028 176.128 176.117 -0.028 0.000 1.049 53 I CA 0.691 61.975 61.300 -0.026 0.000 1.381 53 I CB 0.365 38.250 38.000 -0.193 0.000 1.409 53 I HN 0.269 8.940 8.210 0.211 -0.334 0.523 54 R N 6.996 127.440 120.500 -0.093 0.000 2.514 54 R HA 0.362 4.731 4.340 0.050 0.000 0.296 54 R C -1.524 174.722 176.300 -0.090 0.000 1.012 54 R CA -1.798 54.285 56.100 -0.029 0.000 0.897 54 R CB 3.106 33.402 30.300 -0.006 0.000 1.184 54 R HN 0.457 8.646 8.270 -0.135 0.000 0.440 55 L N 3.870 125.069 121.223 -0.040 0.000 2.490 55 L HA -0.065 4.346 4.340 -0.150 -0.161 0.274 55 L C 0.578 177.415 176.870 -0.054 0.000 1.201 55 L CA 0.093 54.892 54.840 -0.069 0.000 0.869 55 L CB 0.562 42.631 42.059 0.016 0.000 1.123 55 L HN 0.377 8.639 8.230 0.052 0.000 0.484 56 V N 3.480 123.337 119.914 -0.095 0.000 2.557 56 V HA -0.282 3.930 4.120 -0.065 -0.132 0.301 56 V C 1.105 177.178 176.094 -0.036 0.000 1.026 56 V CA 0.861 63.116 62.300 -0.076 0.000 1.137 56 V CB 1.262 33.017 31.823 -0.113 0.000 0.917 56 V HN 0.081 8.190 8.190 -0.134 0.000 0.484 57 E N 9.199 129.391 120.200 -0.014 0.000 2.150 57 E HA -0.273 4.085 4.350 0.014 0.000 0.193 57 E C 0.291 176.897 176.600 0.010 0.000 0.985 57 E CA 2.330 58.735 56.400 0.007 0.000 0.814 57 E CB -0.108 29.601 29.700 0.016 0.000 0.752 57 E HN 0.058 8.634 8.360 -0.014 -0.224 0.466 58 D N -3.930 116.474 120.400 0.007 0.000 2.349 58 D HA -0.083 4.570 4.640 0.022 0.000 0.224 58 D C 0.730 177.038 176.300 0.013 0.000 1.029 58 D CA -0.785 53.225 54.000 0.017 0.000 0.879 58 D CB -1.051 39.766 40.800 0.029 0.000 0.906 58 D HN -0.380 7.991 8.370 0.002 0.000 0.528 59 G N -0.339 108.454 108.800 -0.012 0.000 2.153 59 G HA2 -0.497 3.432 3.960 -0.051 0.000 0.252 59 G HA3 -0.497 3.464 3.960 0.002 0.000 0.252 59 G C -0.715 174.166 174.900 -0.031 0.000 0.994 59 G CA 0.858 45.944 45.100 -0.024 0.000 0.698 59 G HN -0.443 7.786 8.290 -0.024 0.046 0.521 60 K N -1.836 118.545 120.400 -0.031 0.000 2.340 60 K HA 0.362 4.722 4.320 0.066 0.000 0.244 60 K C -0.759 175.814 176.600 -0.044 0.000 0.973 60 K CA -2.332 53.970 56.287 0.026 0.000 0.828 60 K CB 2.602 35.165 32.500 0.104 0.000 1.226 60 K HN -0.798 7.645 8.250 -0.030 -0.211 0.437 61 Y N -0.538 119.803 120.300 0.068 0.000 2.153 61 Y HA -0.178 4.395 4.550 0.037 0.000 0.289 61 Y C 0.238 176.204 175.900 0.110 0.000 1.119 61 Y CA 2.642 60.782 58.100 0.067 0.000 1.116 61 Y CB 1.178 39.680 38.460 0.069 0.000 1.004 61 Y HN 0.385 8.899 8.280 0.390 0.000 0.501 62 G N -6.647 102.353 108.800 0.332 0.000 2.350 62 G HA2 -0.139 4.314 3.960 0.309 0.000 0.274 62 G HA3 -0.139 4.077 3.960 0.377 -0.030 0.274 62 G C -3.049 172.117 174.900 0.442 0.000 1.621 62 G CA -0.055 45.261 45.100 0.361 0.000 0.935 62 G HN -0.524 7.976 8.290 0.349 0.000 0.694 63 A N 3.160 126.156 122.820 0.293 0.000 2.594 63 A HA 0.477 4.777 4.320 -0.034 0.000 0.291 63 A C -2.446 174.826 177.584 -0.519 0.000 1.105 63 A CA -0.819 51.186 52.037 -0.053 0.000 0.694 63 A CB 3.803 22.787 19.000 -0.027 0.000 1.291 63 A HN 0.251 8.827 8.150 0.240 -0.281 0.410 64 Q N 0.433 119.635 119.800 -0.995 0.000 2.256 64 Q HA 0.072 3.931 4.340 -1.085 -0.170 0.254 64 Q C -0.796 174.935 176.000 -0.447 0.000 0.916 64 Q CA -1.110 54.076 55.803 -1.028 0.000 0.932 64 Q CB 1.862 29.855 28.738 -1.241 0.000 1.207 64 Q HN 0.320 8.046 8.270 -0.908 0.000 0.426 65 D N 6.205 126.426 120.400 -0.299 0.000 2.425 65 D HA -0.119 4.454 4.640 -0.112 0.000 0.247 65 D C 0.324 176.548 176.300 -0.127 0.000 1.147 65 D CA 0.738 54.650 54.000 -0.146 0.000 0.879 65 D CB 1.925 42.671 40.800 -0.089 0.000 1.179 65 D HN 0.025 8.209 8.370 -0.310 0.000 0.456 66 D N 4.422 124.777 120.400 -0.075 0.000 2.347 66 D HA -0.176 4.418 4.640 -0.076 0.000 0.215 66 D C 0.603 176.884 176.300 -0.032 0.000 0.976 66 D CA 1.906 55.875 54.000 -0.052 0.000 0.884 66 D CB -0.382 40.410 40.800 -0.012 0.000 0.915 66 D HN 0.156 8.495 8.370 -0.052 0.000 0.526 67 V N -3.228 116.670 119.914 -0.027 0.000 2.627 67 V HA 0.130 4.243 4.120 -0.010 0.000 0.239 67 V C 1.210 177.293 176.094 -0.018 0.000 1.077 67 V CA 1.304 63.595 62.300 -0.015 0.000 1.103 67 V CB 1.283 33.103 31.823 -0.005 0.000 0.802 67 V HN -0.353 8.044 8.190 -0.031 -0.225 0.482 68 N N -0.773 117.913 118.700 -0.023 0.000 2.236 68 N HA -0.005 4.730 4.740 -0.009 0.000 0.196 68 N C 1.237 176.733 175.510 -0.022 0.000 1.114 68 N CA -0.601 52.440 53.050 -0.016 0.000 0.859 68 N CB 0.409 38.892 38.487 -0.007 0.000 0.982 68 N HN -0.384 8.275 8.380 -0.029 -0.297 0.493 69 G N 0.114 108.882 108.800 -0.053 0.000 2.168 69 G HA2 -0.425 3.543 3.960 -0.112 0.000 0.263 69 G HA3 -0.425 3.515 3.960 -0.033 0.000 0.263 69 G C -0.019 174.837 174.900 -0.074 0.000 0.977 69 G CA 0.840 45.898 45.100 -0.071 0.000 0.659 69 G HN -0.523 7.727 8.290 -0.067 0.000 0.533 70 Q N -0.316 119.451 119.800 -0.056 0.000 2.293 70 Q HA 0.078 4.465 4.340 0.078 0.000 0.251 70 Q C -0.095 175.865 176.000 -0.066 0.000 0.930 70 Q CA -0.510 55.299 55.803 0.010 0.000 0.893 70 Q CB 0.882 29.639 28.738 0.031 0.000 1.215 70 Q HN 0.008 8.588 8.270 -0.053 -0.342 0.425 71 W N 1.285 122.593 121.300 0.014 0.000 2.215 71 W HA 0.255 5.123 4.660 0.022 -0.195 0.342 71 W C 0.108 176.638 176.519 0.018 0.000 1.237 71 W CA -0.093 57.262 57.345 0.017 0.000 1.283 71 W CB 1.700 31.166 29.460 0.009 0.000 1.131 71 W HN 0.379 8.793 8.180 0.391 0.000 0.606 72 N N -2.484 116.389 118.700 0.288 0.000 3.091 72 N HA 0.145 4.978 4.740 0.154 0.000 0.329 72 N C -0.001 175.621 175.510 0.187 0.000 1.430 72 N CA -1.793 51.367 53.050 0.182 0.000 0.755 72 N CB 1.777 40.332 38.487 0.113 0.000 1.626 72 N HN -0.267 8.311 8.380 0.330 0.000 0.614 73 G N -2.200 106.666 108.800 0.110 0.000 2.601 73 G HA2 -0.450 3.803 3.960 0.033 0.000 0.252 73 G HA3 -0.450 3.728 3.960 0.100 -0.158 0.252 73 G C 0.383 175.298 174.900 0.025 0.000 1.294 73 G CA 0.574 45.715 45.100 0.069 0.000 0.912 73 G HN -0.049 8.708 8.290 0.087 -0.415 0.574 74 M N 1.871 121.461 119.600 -0.017 0.000 2.213 74 M HA -0.419 4.014 4.480 -0.078 0.000 0.263 74 M C 2.314 178.571 176.300 -0.072 0.000 1.062 74 M CA 3.990 59.251 55.300 -0.064 0.000 1.105 74 M CB 0.180 32.721 32.600 -0.098 0.000 1.385 74 M HN -0.335 7.941 8.290 -0.022 0.000 0.417 75 V N -0.814 119.078 119.914 -0.036 0.000 2.295 75 V HA -0.573 3.408 4.120 -0.231 0.000 0.246 75 V C 1.516 177.523 176.094 -0.145 0.000 1.049 75 V CA 4.117 66.325 62.300 -0.152 0.000 1.024 75 V CB -0.405 31.303 31.823 -0.192 0.000 0.648 75 V HN -0.549 7.648 8.190 0.033 0.012 0.447 76 R N -0.866 119.639 120.500 0.008 0.000 2.096 76 R HA -0.331 4.028 4.340 0.031 0.000 0.235 76 R C 1.833 178.125 176.300 -0.014 0.000 1.127 76 R CA 2.612 58.736 56.100 0.040 0.000 0.968 76 R CB -0.799 29.578 30.300 0.128 0.000 0.861 76 R HN -0.671 7.649 8.270 0.083 0.000 0.440 77 E N -0.361 119.820 120.200 -0.033 0.000 2.110 77 E HA -0.345 3.989 4.350 -0.026 0.000 0.193 77 E C 2.497 179.043 176.600 -0.090 0.000 0.988 77 E CA 3.094 59.464 56.400 -0.050 0.000 0.804 77 E CB -0.335 29.329 29.700 -0.059 0.000 0.745 77 E HN -0.623 7.720 8.360 -0.029 0.000 0.458 78 L N -1.078 120.057 121.223 -0.146 0.000 2.044 78 L HA -0.206 3.992 4.340 -0.237 0.000 0.205 78 L C 3.099 179.854 176.870 -0.192 0.000 1.075 78 L CA 2.797 57.506 54.840 -0.217 0.000 0.747 78 L CB 0.040 41.933 42.059 -0.276 0.000 0.903 78 L HN -0.618 7.522 8.230 -0.150 0.000 0.435 79 I N -0.609 119.874 120.570 -0.146 0.000 2.194 79 I HA -0.457 3.671 4.170 -0.071 0.000 0.246 79 I C 1.562 177.729 176.117 0.083 0.000 1.093 79 I CA 3.601 64.864 61.300 -0.062 0.000 1.355 79 I CB -0.126 37.819 38.000 -0.091 0.000 1.046 79 I HN -0.160 7.949 8.210 -0.169 0.000 0.413 80 D N -4.114 116.321 120.400 0.059 0.000 2.340 80 D HA 0.059 4.759 4.640 0.101 0.000 0.220 80 D C -0.793 175.615 176.300 0.180 0.000 1.039 80 D CA 0.398 54.457 54.000 0.099 0.000 0.866 80 D CB -0.090 40.740 40.800 0.050 0.000 0.913 80 D HN -0.505 7.858 8.370 0.011 0.013 0.523 81 H N -5.085 113.952 119.070 -0.054 0.000 2.862 81 H HA -0.330 4.188 4.556 -0.064 0.000 0.290 81 H C 0.083 175.384 175.328 -0.046 0.000 1.211 81 H CA 1.470 57.486 56.048 -0.052 0.000 1.140 81 H CB -2.723 27.015 29.762 -0.041 0.000 1.341 81 H HN -0.181 7.956 8.280 0.064 0.181 0.392 82 K N -3.762 116.646 120.400 0.014 0.000 2.361 82 K HA -0.039 4.287 4.320 0.010 0.000 0.196 82 K C -1.393 175.180 176.600 -0.045 0.000 1.039 82 K CA 1.015 57.297 56.287 -0.007 0.000 1.001 82 K CB 0.930 33.426 32.500 -0.006 0.000 0.795 82 K HN -0.284 7.936 8.250 -0.001 0.030 0.495 83 A N -3.832 118.933 122.820 -0.091 0.000 2.435 83 A HA 0.188 4.446 4.320 -0.104 0.000 0.304 83 A C -2.322 175.154 177.584 -0.179 0.000 1.064 83 A CA -0.991 50.971 52.037 -0.124 0.000 0.727 83 A CB 2.604 21.524 19.000 -0.133 0.000 1.284 83 A HN -0.858 7.227 8.150 -0.109 0.000 0.415 84 D N 0.232 120.517 120.400 -0.191 0.000 2.183 84 D HA 0.042 4.541 4.640 -0.235 0.000 0.205 84 D C -0.303 175.825 176.300 -0.286 0.000 0.962 84 D CA 3.145 56.997 54.000 -0.247 0.000 0.849 84 D CB 1.920 42.545 40.800 -0.292 0.000 0.978 84 D HN -0.069 8.196 8.370 -0.175 0.000 0.488 85 L N -3.555 117.503 121.223 -0.276 0.000 2.393 85 L HA 0.698 5.080 4.340 -0.243 -0.188 0.260 85 L C -2.615 174.132 176.870 -0.205 0.000 1.002 85 L CA -1.567 53.120 54.840 -0.256 0.000 0.818 85 L CB 5.167 47.047 42.059 -0.298 0.000 1.369 85 L HN -0.658 7.420 8.230 -0.253 0.000 0.412 86 A N 1.027 123.742 122.820 -0.176 0.000 2.273 86 A HA 0.817 5.255 4.320 -0.157 -0.212 0.315 86 A C -1.411 176.116 177.584 -0.095 0.000 1.256 86 A CA -1.768 50.183 52.037 -0.143 0.000 0.851 86 A CB 1.858 20.777 19.000 -0.134 0.000 1.172 86 A HN 0.565 8.611 8.150 -0.174 0.000 0.508 87 V N 4.253 124.096 119.914 -0.119 0.000 2.304 87 V HA 0.216 4.319 4.120 -0.028 0.000 0.278 87 V C -1.964 174.070 176.094 -0.100 0.000 1.018 87 V CA -0.668 61.573 62.300 -0.100 0.000 0.814 87 V CB 0.359 32.079 31.823 -0.172 0.000 1.021 87 V HN -0.231 7.866 8.190 -0.155 0.000 0.440 88 A N 6.074 128.883 122.820 -0.018 0.000 2.540 88 A HA 0.369 4.632 4.320 -0.094 0.000 0.291 88 A C -2.914 174.601 177.584 -0.115 0.000 1.083 88 A CA -1.220 50.773 52.037 -0.074 0.000 0.650 88 A CB 1.647 20.581 19.000 -0.112 0.000 1.292 88 A HN 0.218 8.415 8.150 0.079 0.000 0.435 89 P HA 0.027 3.519 4.420 -1.547 0.000 0.230 89 P C -2.298 174.538 177.300 -0.774 0.000 1.791 89 P CA -0.208 62.142 63.100 -1.249 0.000 1.020 89 P CB -1.914 28.777 31.700 -1.682 0.000 1.977 90 L N 3.571 124.622 121.223 -0.286 0.000 2.264 90 L HA 0.116 4.550 4.340 0.157 0.000 0.287 90 L C -1.945 175.022 176.870 0.163 0.000 1.039 90 L CA -1.546 53.350 54.840 0.092 0.000 0.829 90 L CB 1.594 43.782 42.059 0.216 0.000 1.211 90 L HN -0.439 7.628 8.230 -0.203 0.041 0.427 91 A N 6.989 129.902 122.820 0.155 0.000 2.488 91 A HA 0.128 4.673 4.320 0.097 -0.166 0.249 91 A C -0.003 177.449 177.584 -0.221 0.000 1.083 91 A CA -0.649 51.416 52.037 0.047 0.000 0.768 91 A CB 0.409 19.415 19.000 0.011 0.000 1.017 91 A HN 0.393 8.616 8.150 0.121 0.000 0.496 92 I N 5.093 125.339 120.570 -0.539 0.000 2.452 92 I HA -0.045 2.920 4.170 -2.008 0.000 0.287 92 I C -0.432 175.410 176.117 -0.457 0.000 1.079 92 I CA 1.004 61.680 61.300 -1.042 0.000 1.387 92 I CB -0.564 36.941 38.000 -0.826 0.000 1.404 92 I HN -0.049 7.909 8.210 -0.419 0.000 0.522 93 T N 4.211 118.589 114.554 -0.292 0.000 2.896 93 T HA 0.333 4.659 4.350 -0.041 0.000 0.297 93 T C 0.240 174.979 174.700 0.066 0.000 1.108 93 T CA -2.848 59.229 62.100 -0.039 0.000 1.004 93 T CB 2.776 71.677 68.868 0.056 0.000 1.159 93 T HN -0.336 7.709 8.240 -0.324 0.000 0.499 94 Y N 4.036 124.340 120.300 0.007 0.000 2.081 94 Y HA -0.437 4.128 4.550 0.026 0.000 0.280 94 Y C 0.791 176.746 175.900 0.092 0.000 1.163 94 Y CA 3.577 61.699 58.100 0.037 0.000 1.135 94 Y CB -0.749 37.726 38.460 0.024 0.000 0.970 94 Y HN 0.389 8.819 8.280 0.249 0.000 0.498 95 V N -6.767 113.172 119.914 0.042 0.000 2.515 95 V HA -0.270 3.905 4.120 -0.222 -0.189 0.250 95 V C 0.898 177.058 176.094 0.110 0.000 1.058 95 V CA 2.294 64.616 62.300 0.037 0.000 1.064 95 V CB -0.267 31.720 31.823 0.272 0.000 0.675 95 V HN -0.382 7.942 8.190 0.223 0.000 0.461 96 R N -1.176 119.396 120.500 0.119 0.000 2.073 96 R HA -0.254 3.885 4.340 -0.336 0.000 0.229 96 R C 2.071 178.363 176.300 -0.015 0.000 1.120 96 R CA 3.314 59.399 56.100 -0.025 0.000 0.967 96 R CB 0.129 30.549 30.300 0.201 0.000 0.862 96 R HN -0.845 7.523 8.270 0.163 0.000 0.436 97 E N -0.542 119.720 120.200 0.104 0.000 2.338 97 E HA -0.158 4.471 4.350 0.180 -0.171 0.197 97 E C 1.377 177.942 176.600 -0.059 0.000 1.007 97 E CA 1.922 58.388 56.400 0.111 0.000 0.849 97 E CB -0.297 29.493 29.700 0.150 0.000 0.774 97 E HN -0.298 8.118 8.360 0.092 0.000 0.506 98 E N -2.333 117.770 120.200 -0.162 0.000 2.204 98 E HA -0.206 4.060 4.350 -0.141 0.000 0.194 98 E C 1.212 177.737 176.600 -0.125 0.000 0.989 98 E CA 2.236 58.537 56.400 -0.165 0.000 0.824 98 E CB 0.473 30.035 29.700 -0.230 0.000 0.756 98 E HN -0.535 7.680 8.360 -0.206 0.021 0.477 99 V N -8.749 111.053 119.914 -0.187 0.000 3.484 99 V HA 0.182 4.209 4.120 -0.155 0.000 0.252 99 V C -0.919 175.011 176.094 -0.274 0.000 1.282 99 V CA 0.410 62.567 62.300 -0.238 0.000 1.104 99 V CB 2.430 34.016 31.823 -0.395 0.000 0.868 99 V HN -0.528 7.382 8.190 -0.220 0.149 0.457 100 I N -5.228 115.156 120.570 -0.310 0.000 3.108 100 I HA 0.325 4.326 4.170 -0.281 0.000 0.312 100 I C -2.283 173.668 176.117 -0.277 0.000 1.095 100 I CA -2.263 58.834 61.300 -0.338 0.000 1.000 100 I CB 2.970 40.671 38.000 -0.498 0.000 1.229 100 I HN -0.357 7.670 8.210 -0.305 0.000 0.454 101 D N -0.609 119.618 120.400 -0.289 0.000 2.217 101 D HA 0.716 5.500 4.640 -0.064 -0.182 0.248 101 D C -0.774 175.349 176.300 -0.295 0.000 1.008 101 D CA -1.586 52.312 54.000 -0.169 0.000 0.914 101 D CB 3.436 44.183 40.800 -0.089 0.000 1.182 101 D HN -0.173 8.015 8.370 -0.303 0.000 0.451 102 F N -1.118 118.811 119.950 -0.035 0.000 2.576 102 F HA 0.624 5.345 4.527 -0.009 -0.200 0.313 102 F C 0.275 176.083 175.800 0.013 0.000 1.078 102 F CA -1.487 56.506 58.000 -0.012 0.000 0.921 102 F CB 4.742 43.733 39.000 -0.014 0.000 1.232 102 F HN -0.348 8.438 8.300 0.255 -0.333 0.459 103 S N 2.399 118.245 115.700 0.243 0.000 2.580 103 S HA 0.124 4.678 4.470 0.141 0.000 0.266 103 S C 0.667 175.364 174.600 0.162 0.000 1.354 103 S CA -0.413 57.897 58.200 0.183 0.000 1.008 103 S CB 0.940 64.258 63.200 0.196 0.000 0.898 103 S HN 0.390 8.844 8.310 0.240 0.000 0.555 104 K N 0.813 121.280 120.400 0.112 0.000 2.397 104 K HA -0.049 4.295 4.320 0.040 0.000 0.265 104 K C -1.424 175.219 176.600 0.072 0.000 0.982 104 K CA -0.116 56.212 56.287 0.068 0.000 0.931 104 K CB -0.959 31.573 32.500 0.053 0.000 0.943 104 K HN -0.116 8.197 8.250 0.105 0.000 0.501 105 P HA 0.069 4.613 4.420 -0.154 -0.217 0.271 105 P C -0.815 176.506 177.300 0.036 0.000 1.216 105 P CA -0.301 62.750 63.100 -0.082 0.000 0.776 105 P CB 0.403 32.011 31.700 -0.152 0.000 0.881 106 F N -1.544 118.476 119.950 0.116 0.000 2.754 106 F HA 0.251 4.852 4.527 0.123 0.000 0.297 106 F C -0.165 175.731 175.800 0.159 0.000 1.122 106 F CA -0.821 57.273 58.000 0.156 0.000 1.400 106 F CB 0.927 40.059 39.000 0.220 0.000 1.117 106 F HN 0.055 8.127 8.300 -0.380 0.000 0.587 107 M N -0.730 118.812 119.600 -0.096 0.000 2.413 107 M HA 0.308 4.787 4.480 -0.001 0.000 0.287 107 M C -2.145 173.983 176.300 -0.287 0.000 1.186 107 M CA -0.099 55.142 55.300 -0.098 0.000 0.927 107 M CB 3.475 36.075 32.600 0.001 0.000 1.715 107 M HN -0.843 7.250 8.290 -0.330 0.000 0.478 108 T N 6.766 121.174 114.554 -0.243 0.000 2.918 108 T HA 0.740 5.030 4.350 -0.329 -0.137 0.286 108 T C -1.252 173.267 174.700 -0.302 0.000 1.026 108 T CA -0.963 60.973 62.100 -0.273 0.000 1.031 108 T CB 1.824 70.588 68.868 -0.175 0.000 1.046 108 T HN -0.030 8.101 8.240 -0.182 0.000 0.479 109 L N -2.753 118.276 121.223 -0.323 0.000 3.064 109 L HA 0.644 4.849 4.340 -0.226 0.000 0.282 109 L C -2.471 174.241 176.870 -0.263 0.000 1.045 109 L CA -0.774 53.888 54.840 -0.297 0.000 0.986 109 L CB 2.417 44.225 42.059 -0.419 0.000 1.571 109 L HN 0.307 8.348 8.230 -0.315 0.000 0.377 110 G N -4.220 104.443 108.800 -0.229 0.000 2.677 110 G HA2 0.643 4.532 3.960 -0.282 0.000 0.291 110 G HA3 0.643 4.617 3.960 -0.229 -0.151 0.291 110 G C -2.277 172.485 174.900 -0.231 0.000 1.435 110 G CA -0.386 44.567 45.100 -0.245 0.000 0.826 110 G HN -0.350 7.822 8.290 -0.197 0.000 0.491 111 I N -0.415 119.973 120.570 -0.303 0.000 2.648 111 I HA -0.147 3.899 4.170 -0.206 0.000 0.284 111 I C -1.335 174.664 176.117 -0.197 0.000 1.153 111 I CA 2.107 63.245 61.300 -0.270 0.000 1.426 111 I CB -0.023 37.731 38.000 -0.410 0.000 1.381 111 I HN 0.168 8.484 8.210 -0.389 -0.340 0.571 112 S N 4.094 119.722 115.700 -0.120 0.000 2.973 112 S HA 0.541 4.961 4.470 -0.084 0.000 0.317 112 S C -1.947 172.621 174.600 -0.053 0.000 1.196 112 S CA -2.467 55.689 58.200 -0.075 0.000 0.894 112 S CB 2.913 66.087 63.200 -0.044 0.000 1.292 112 S HN 0.491 8.737 8.310 -0.107 0.000 0.614 113 I N -0.083 120.475 120.570 -0.019 0.000 2.465 113 I HA 0.340 4.649 4.170 -0.035 -0.161 0.291 113 I C -1.826 174.333 176.117 0.070 0.000 1.014 113 I CA -0.822 60.474 61.300 -0.008 0.000 1.093 113 I CB 3.250 41.227 38.000 -0.038 0.000 1.267 113 I HN 0.031 8.238 8.210 -0.006 0.000 0.431 114 L N 8.089 129.392 121.223 0.133 0.000 2.282 114 L HA 0.677 5.294 4.340 0.187 -0.164 0.288 114 L C -2.465 174.585 176.870 0.300 0.000 1.033 114 L CA -1.316 53.654 54.840 0.218 0.000 0.807 114 L CB 2.279 44.510 42.059 0.286 0.000 1.209 114 L HN 0.482 8.788 8.230 0.127 0.000 0.423 115 Y N 6.968 127.323 120.300 0.091 0.000 2.744 115 Y HA 0.402 5.013 4.550 0.103 0.000 0.330 115 Y C -1.915 174.028 175.900 0.072 0.000 1.263 115 Y CA -2.292 55.857 58.100 0.081 0.000 1.065 115 Y CB 3.784 42.272 38.460 0.046 0.000 1.306 115 Y HN 0.400 8.838 8.280 0.264 0.000 0.459 116 R N -0.056 120.140 120.500 -0.506 0.000 2.637 116 R HA 0.283 4.655 4.340 -0.186 -0.144 0.269 116 R C 0.073 176.201 176.300 -0.287 0.000 1.089 116 R CA 0.135 56.002 56.100 -0.388 0.000 1.177 116 R CB 1.023 31.045 30.300 -0.464 0.000 1.091 116 R HN 0.372 7.952 8.270 -1.150 0.000 0.540 117 K N 0.974 121.289 120.400 -0.142 0.000 2.107 117 K HA -0.040 4.258 4.320 -0.037 0.000 0.251 117 K C 0.878 177.434 176.600 -0.074 0.000 1.012 117 K CA 0.893 57.139 56.287 -0.069 0.000 0.920 117 K CB 0.276 32.756 32.500 -0.034 0.000 1.033 117 K HN -0.356 7.823 8.250 -0.119 0.000 0.478 118 G N -0.670 108.115 108.800 -0.026 0.000 2.132 118 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.234 118 G HA3 -0.315 3.632 3.960 -0.022 0.000 0.234 118 G C -0.624 174.277 174.900 0.003 0.000 0.989 118 G CA -0.127 44.966 45.100 -0.013 0.000 0.676 118 G HN 0.474 8.760 8.290 -0.007 0.000 0.522 119 T N -2.212 112.358 114.554 0.027 0.000 2.949 119 T HA 0.480 4.863 4.350 0.055 0.000 0.287 119 T C -1.654 173.095 174.700 0.081 0.000 1.034 119 T CA -3.828 58.315 62.100 0.073 0.000 1.018 119 T CB 2.121 71.088 68.868 0.165 0.000 1.135 119 T HN -0.623 7.636 8.240 0.032 0.000 0.532 120 P HA 0.184 4.630 4.420 0.044 0.000 0.249 120 P C -0.980 176.353 177.300 0.054 0.000 1.229 120 P CA -0.229 62.904 63.100 0.054 0.000 0.788 120 P CB 0.235 31.959 31.700 0.039 0.000 1.072 121 I N 0.680 121.302 120.570 0.088 0.000 2.517 121 I HA -0.277 3.894 4.170 0.002 0.000 0.285 121 I C -0.978 175.163 176.117 0.039 0.000 1.106 121 I CA -0.725 60.598 61.300 0.040 0.000 1.402 121 I CB -1.047 36.966 38.000 0.021 0.000 1.399 121 I HN -0.669 7.570 8.210 0.140 0.055 0.535 122 D N 5.630 126.034 120.400 0.007 0.000 2.520 122 D HA 0.108 4.764 4.640 0.026 0.000 0.223 122 D C -1.509 174.789 176.300 -0.003 0.000 1.186 122 D CA -0.446 53.560 54.000 0.011 0.000 0.821 122 D CB 2.637 43.443 40.800 0.010 0.000 1.072 122 D HN 0.340 9.030 8.370 -0.010 -0.326 0.518 123 S N -5.850 109.834 115.700 -0.026 0.000 2.611 123 S HA 0.201 4.666 4.470 -0.009 0.000 0.268 123 S C -0.297 174.271 174.600 -0.053 0.000 1.156 123 S CA -1.704 56.483 58.200 -0.021 0.000 0.817 123 S CB 3.054 66.249 63.200 -0.008 0.000 1.122 123 S HN -1.058 7.227 8.310 -0.042 0.000 0.466 124 A N 1.166 123.980 122.820 -0.009 0.000 1.940 124 A HA -0.365 3.889 4.320 -0.110 0.000 0.219 124 A C 1.129 178.681 177.584 -0.053 0.000 1.176 124 A CA 3.046 55.077 52.037 -0.010 0.000 0.631 124 A CB -0.318 18.808 19.000 0.210 0.000 0.814 124 A HN 0.647 8.817 8.150 0.033 0.000 0.446 125 D N -2.819 117.568 120.400 -0.022 0.000 2.149 125 D HA -0.311 4.298 4.640 -0.052 0.000 0.198 125 D C 1.565 177.816 176.300 -0.082 0.000 0.990 125 D CA 2.841 56.810 54.000 -0.052 0.000 0.839 125 D CB -0.128 40.646 40.800 -0.043 0.000 0.948 125 D HN -0.109 8.262 8.370 0.002 0.000 0.460 126 D N -0.644 119.704 120.400 -0.087 0.000 2.144 126 D HA -0.203 4.392 4.640 -0.074 0.000 0.199 126 D C 1.893 178.101 176.300 -0.153 0.000 0.984 126 D CA 2.784 56.727 54.000 -0.096 0.000 0.834 126 D CB -0.328 40.427 40.800 -0.076 0.000 0.955 126 D HN -0.618 7.707 8.370 -0.075 0.000 0.465 127 L N -1.012 120.062 121.223 -0.248 0.000 2.056 127 L HA -0.269 3.880 4.340 -0.317 0.000 0.207 127 L C 1.910 178.558 176.870 -0.370 0.000 1.078 127 L CA 2.747 57.349 54.840 -0.397 0.000 0.749 127 L CB -0.352 41.273 42.059 -0.723 0.000 0.901 127 L HN -0.835 7.246 8.230 -0.248 0.000 0.433 128 A N -2.177 120.462 122.820 -0.301 0.000 2.019 128 A HA -0.174 4.037 4.320 -0.182 0.000 0.219 128 A C 0.625 178.161 177.584 -0.079 0.000 1.164 128 A CA 2.268 54.205 52.037 -0.167 0.000 0.644 128 A CB 0.020 18.980 19.000 -0.068 0.000 0.805 128 A HN -0.220 7.776 8.150 -0.258 0.000 0.449 129 K N -4.504 115.847 120.400 -0.082 0.000 2.458 129 K HA -0.095 4.208 4.320 -0.027 0.000 0.194 129 K C -0.068 176.507 176.600 -0.041 0.000 1.024 129 K CA 0.306 56.566 56.287 -0.045 0.000 1.108 129 K CB -0.147 32.329 32.500 -0.040 0.000 0.846 129 K HN -0.588 7.577 8.250 -0.100 0.025 0.518 130 Q N -1.035 118.727 119.800 -0.064 0.000 2.626 130 Q HA 0.206 4.532 4.340 -0.023 0.000 0.300 130 Q C -1.806 174.144 176.000 -0.084 0.000 0.988 130 Q CA -0.413 55.360 55.803 -0.049 0.000 0.761 130 Q CB 1.212 29.925 28.738 -0.042 0.000 1.494 130 Q HN -0.605 7.543 8.270 -0.091 0.068 0.439 131 T N -8.178 106.357 114.554 -0.031 0.000 3.041 131 T HA 0.326 4.562 4.350 -0.191 0.000 0.276 131 T C 0.755 175.498 174.700 0.072 0.000 0.948 131 T CA -0.660 61.438 62.100 -0.003 0.000 0.885 131 T CB 1.305 70.284 68.868 0.185 0.000 1.175 131 T HN -0.047 8.195 8.240 0.003 0.000 0.529 132 K N 2.044 122.475 120.400 0.052 0.000 2.097 132 K HA -0.155 4.219 4.320 0.090 0.000 0.205 132 K C 0.363 177.019 176.600 0.093 0.000 1.050 132 K CA 1.871 58.204 56.287 0.076 0.000 0.938 132 K CB -0.183 32.354 32.500 0.062 0.000 0.718 132 K HN -0.386 7.936 8.250 0.033 -0.052 0.442 133 I N 1.654 122.262 120.570 0.064 0.000 2.301 133 I HA -0.059 4.334 4.170 0.137 -0.142 0.292 133 I C -0.789 175.374 176.117 0.076 0.000 1.046 133 I CA -0.290 61.057 61.300 0.078 0.000 1.282 133 I CB 0.019 38.011 38.000 -0.012 0.000 1.409 133 I HN -0.301 8.302 8.210 0.031 -0.374 0.484 134 E N 7.272 127.571 120.200 0.165 0.000 2.369 134 E HA -0.006 4.420 4.350 0.128 0.000 0.255 134 E C -1.502 175.114 176.600 0.027 0.000 1.172 134 E CA -0.329 56.188 56.400 0.194 0.000 0.932 134 E CB 1.959 31.881 29.700 0.370 0.000 1.040 134 E HN -0.159 8.331 8.360 0.215 0.000 0.454 135 Y N -6.104 114.187 120.300 -0.016 0.000 2.592 135 Y HA 1.037 5.250 4.550 -0.925 -0.218 0.334 135 Y C -1.621 174.226 175.900 -0.089 0.000 1.136 135 Y CA -2.032 55.832 58.100 -0.394 0.000 1.042 135 Y CB 3.279 41.521 38.460 -0.364 0.000 1.325 135 Y HN -0.017 8.167 8.280 -0.159 0.000 0.457 136 G N -2.786 106.025 108.800 0.018 0.000 2.500 136 G HA2 0.463 4.521 3.960 0.162 0.000 0.299 136 G HA3 0.463 4.901 3.960 0.393 -0.242 0.299 136 G C -3.410 171.629 174.900 0.233 0.000 1.242 136 G CA 0.122 45.365 45.100 0.239 0.000 0.859 136 G HN -0.369 7.846 8.290 -0.124 0.000 0.481 137 A N -3.341 119.674 122.820 0.325 0.000 2.586 137 A HA 0.663 4.945 4.320 -0.282 -0.131 0.290 137 A C -2.043 175.756 177.584 0.358 0.000 1.086 137 A CA -0.919 51.187 52.037 0.114 0.000 0.665 137 A CB 3.062 22.093 19.000 0.051 0.000 1.279 137 A HN -0.491 7.901 8.150 0.404 0.000 0.423 138 V N -0.458 119.628 119.914 0.286 0.000 2.529 138 V HA -0.101 4.409 4.120 0.359 -0.175 0.292 138 V C 0.166 176.397 176.094 0.229 0.000 1.028 138 V CA 0.654 63.134 62.300 0.300 0.000 1.074 138 V CB 0.342 32.309 31.823 0.240 0.000 0.958 138 V HN 0.541 8.819 8.190 0.148 0.000 0.481 139 E N 8.881 129.214 120.200 0.223 0.000 2.465 139 E HA -0.408 4.065 4.350 0.205 0.000 0.260 139 E C -0.120 176.590 176.600 0.183 0.000 0.980 139 E CA 1.676 58.193 56.400 0.194 0.000 0.927 139 E CB 0.287 30.084 29.700 0.161 0.000 0.934 139 E HN 0.031 8.526 8.360 0.225 0.000 0.459 140 D N 2.006 122.504 120.400 0.163 0.000 3.041 140 D HA -0.304 4.407 4.640 0.118 0.000 0.220 140 D C -1.046 175.366 176.300 0.187 0.000 1.157 140 D CA 2.014 56.104 54.000 0.150 0.000 0.876 140 D CB -0.879 40.004 40.800 0.139 0.000 1.107 140 D HN -0.079 8.388 8.370 0.163 0.000 0.422 141 G N -4.116 104.777 108.800 0.156 0.000 2.820 141 G HA2 0.344 4.393 3.960 0.149 0.000 0.291 141 G HA3 0.344 4.317 3.960 0.022 0.000 0.291 141 G C -1.061 173.885 174.900 0.076 0.000 1.323 141 G CA -1.554 43.606 45.100 0.099 0.000 1.055 141 G HN -0.967 7.369 8.290 0.146 0.043 0.520 142 A N -1.340 121.497 122.820 0.028 0.000 1.930 142 A HA -0.273 4.097 4.320 0.084 0.000 0.217 142 A C 2.158 179.774 177.584 0.054 0.000 1.175 142 A CA 3.286 55.350 52.037 0.046 0.000 0.627 142 A CB -0.609 18.397 19.000 0.011 0.000 0.815 142 A HN 0.586 8.715 8.150 -0.035 0.000 0.443 143 T N 2.042 116.617 114.554 0.035 0.000 2.674 143 T HA -0.453 3.947 4.350 0.084 0.000 0.265 143 T C 1.603 176.473 174.700 0.284 0.000 1.039 143 T CA 4.937 67.106 62.100 0.115 0.000 1.150 143 T CB -0.340 68.552 68.868 0.040 0.000 0.864 143 T HN -0.194 8.041 8.240 -0.008 0.000 0.427 144 M N 2.099 121.819 119.600 0.201 0.000 2.073 144 M HA -0.419 4.240 4.480 0.299 0.000 0.258 144 M C 1.546 177.844 176.300 -0.003 0.000 1.070 144 M CA 3.470 58.882 55.300 0.186 0.000 1.103 144 M CB -0.786 31.913 32.600 0.164 0.000 1.321 144 M HN 0.053 8.430 8.290 0.146 0.000 0.405 145 T N 1.426 115.977 114.554 -0.006 0.000 2.788 145 T HA -0.432 3.790 4.350 -0.214 0.000 0.268 145 T C 1.742 176.380 174.700 -0.103 0.000 1.044 145 T CA 4.424 66.467 62.100 -0.095 0.000 1.139 145 T CB -0.307 68.560 68.868 -0.002 0.000 0.867 145 T HN -0.564 7.704 8.240 0.048 0.000 0.454 146 F N 3.108 122.966 119.950 -0.153 0.000 2.095 146 F HA -0.508 3.890 4.527 -0.215 0.000 0.298 146 F C 0.983 176.578 175.800 -0.341 0.000 1.104 146 F CA 3.863 61.711 58.000 -0.253 0.000 1.232 146 F CB 0.088 38.890 39.000 -0.330 0.000 0.987 146 F HN -0.391 8.021 8.300 0.186 0.000 0.475 147 F N -3.116 116.763 119.950 -0.117 0.000 2.134 147 F HA -0.469 3.953 4.527 -0.174 0.000 0.299 147 F C 2.690 178.201 175.800 -0.481 0.000 1.097 147 F CA 3.821 61.729 58.000 -0.153 0.000 1.264 147 F CB -0.216 38.915 39.000 0.217 0.000 1.001 147 F HN -0.544 7.907 8.300 0.253 0.000 0.479 148 K N -1.366 118.547 120.400 -0.812 0.000 2.147 148 K HA -0.286 2.718 4.320 -2.193 0.000 0.205 148 K C 1.301 177.548 176.600 -0.588 0.000 1.049 148 K CA 2.593 58.087 56.287 -1.322 0.000 0.936 148 K CB -0.037 31.692 32.500 -1.285 0.000 0.722 148 K HN -0.236 7.582 8.250 -0.719 0.000 0.446 149 R N -4.275 115.969 120.500 -0.426 0.000 2.334 149 R HA 0.055 4.256 4.340 -0.231 0.000 0.216 149 R C -0.952 175.164 176.300 -0.308 0.000 0.905 149 R CA -0.180 55.744 56.100 -0.293 0.000 1.064 149 R CB 0.477 30.646 30.300 -0.218 0.000 1.046 149 R HN -0.549 7.441 8.270 -0.443 0.015 0.508 150 S N -0.334 115.123 115.700 -0.405 0.000 2.565 150 S HA -0.094 4.103 4.470 -0.455 0.000 0.276 150 S C 0.099 174.595 174.600 -0.173 0.000 1.326 150 S CA 0.316 58.271 58.200 -0.408 0.000 1.045 150 S CB 0.822 63.715 63.200 -0.511 0.000 0.918 150 S HN -0.752 7.252 8.310 -0.432 0.046 0.505 151 K N 3.167 123.481 120.400 -0.143 0.000 2.373 151 K HA 0.160 4.447 4.320 -0.055 0.000 0.202 151 K C -0.339 176.218 176.600 -0.072 0.000 1.025 151 K CA -1.264 54.976 56.287 -0.079 0.000 1.115 151 K CB 0.005 32.461 32.500 -0.073 0.000 0.858 151 K HN 0.166 8.316 8.250 -0.166 0.000 0.525 152 I N 2.359 122.876 120.570 -0.088 0.000 2.496 152 I HA -0.051 4.043 4.170 -0.126 0.000 0.285 152 I C 1.134 177.166 176.117 -0.142 0.000 1.080 152 I CA -0.801 60.416 61.300 -0.139 0.000 1.404 152 I CB -0.213 37.650 38.000 -0.227 0.000 1.403 152 I HN -0.666 7.441 8.210 -0.090 0.050 0.539 153 S N 9.601 125.222 115.700 -0.132 0.000 2.359 153 S HA -0.337 4.113 4.470 -0.033 0.000 0.224 153 S C 1.885 176.439 174.600 -0.076 0.000 1.035 153 S CA 3.829 61.983 58.200 -0.076 0.000 1.018 153 S CB -1.096 62.065 63.200 -0.065 0.000 0.876 153 S HN 0.545 8.774 8.310 -0.135 0.000 0.448 154 T N 4.022 118.462 114.554 -0.191 0.000 2.684 154 T HA -0.300 4.018 4.350 -0.053 0.000 0.267 154 T C 1.637 176.381 174.700 0.074 0.000 1.036 154 T CA 4.588 66.606 62.100 -0.138 0.000 1.148 154 T CB -0.234 68.452 68.868 -0.303 0.000 0.863 154 T HN -0.003 8.071 8.240 -0.277 0.000 0.436 155 Y N -0.788 119.599 120.300 0.144 0.000 2.337 155 Y HA -0.104 4.747 4.550 0.501 0.000 0.293 155 Y C 1.771 177.861 175.900 0.316 0.000 1.123 155 Y CA -0.569 57.701 58.100 0.283 0.000 1.201 155 Y CB -1.290 37.173 38.460 0.005 0.000 1.011 155 Y HN -0.711 7.371 8.280 -0.329 0.000 0.545 156 D N 0.314 120.887 120.400 0.289 0.000 2.117 156 D HA -0.364 4.475 4.640 0.331 0.000 0.198 156 D C 1.843 178.317 176.300 0.289 0.000 0.982 156 D CA 3.800 57.961 54.000 0.269 0.000 0.828 156 D CB 0.127 41.007 40.800 0.135 0.000 0.967 156 D HN -0.037 8.436 8.370 0.173 0.000 0.464 157 K N -0.699 119.834 120.400 0.222 0.000 2.057 157 K HA -0.324 4.097 4.320 0.168 0.000 0.207 157 K C 2.343 179.110 176.600 0.279 0.000 1.049 157 K CA 3.155 59.559 56.287 0.195 0.000 0.931 157 K CB -0.038 32.538 32.500 0.126 0.000 0.714 157 K HN -0.511 7.846 8.250 0.178 0.000 0.440 158 M N -0.791 119.023 119.600 0.357 0.000 2.175 158 M HA -0.305 4.478 4.480 0.506 0.000 0.264 158 M C 2.061 178.638 176.300 0.463 0.000 1.063 158 M CA 3.653 59.221 55.300 0.446 0.000 1.119 158 M CB 0.338 33.155 32.600 0.362 0.000 1.377 158 M HN -0.490 8.020 8.290 0.366 0.000 0.415 159 W N -0.113 121.379 121.300 0.320 0.000 2.358 159 W HA -0.469 4.319 4.660 0.213 0.000 0.303 159 W C 1.005 177.629 176.519 0.175 0.000 1.208 159 W CA 2.911 60.402 57.345 0.243 0.000 1.274 159 W CB 0.558 30.165 29.460 0.244 0.000 1.138 159 W HN 0.054 8.652 8.180 0.696 0.000 0.515 160 A N -0.381 122.445 122.820 0.010 0.000 1.908 160 A HA -0.328 3.827 4.320 -0.276 0.000 0.218 160 A C 1.955 179.445 177.584 -0.157 0.000 1.181 160 A CA 2.882 54.843 52.037 -0.126 0.000 0.627 160 A CB -0.979 18.045 19.000 0.040 0.000 0.818 160 A HN -0.228 8.049 8.150 0.211 0.000 0.445 161 F N 0.221 120.072 119.950 -0.164 0.000 2.113 161 F HA -0.275 4.138 4.527 -0.191 0.000 0.297 161 F C 1.595 177.187 175.800 -0.348 0.000 1.103 161 F CA 3.552 61.422 58.000 -0.216 0.000 1.248 161 F CB 0.475 39.377 39.000 -0.164 0.000 0.999 161 F HN -0.707 7.742 8.300 0.248 0.000 0.475 162 M N -0.827 118.643 119.600 -0.216 0.000 2.117 162 M HA -0.564 3.722 4.480 -0.323 0.000 0.262 162 M C 2.028 177.972 176.300 -0.593 0.000 1.065 162 M CA 4.041 59.120 55.300 -0.367 0.000 1.114 162 M CB -0.050 32.441 32.600 -0.181 0.000 1.361 162 M HN -0.172 8.096 8.290 -0.037 0.000 0.408 163 S N -1.149 114.001 115.700 -0.916 0.000 2.348 163 S HA -0.337 3.685 4.470 -0.747 0.000 0.221 163 S C 2.301 176.628 174.600 -0.455 0.000 1.033 163 S CA 3.485 61.205 58.200 -0.801 0.000 1.010 163 S CB -0.257 62.397 63.200 -0.911 0.000 0.891 163 S HN 0.073 7.725 8.310 -1.098 0.000 0.442 164 S N 1.145 116.585 115.700 -0.433 0.000 2.368 164 S HA -0.261 4.053 4.470 -0.260 0.000 0.225 164 S C 1.907 176.293 174.600 -0.357 0.000 1.030 164 S CA 2.835 60.833 58.200 -0.337 0.000 0.999 164 S CB -0.082 62.931 63.200 -0.312 0.000 0.844 164 S HN -0.393 7.640 8.310 -0.463 0.000 0.459 165 R N 0.379 120.586 120.500 -0.489 0.000 2.426 165 R HA 0.172 4.308 4.340 -0.339 0.000 0.263 165 R C 0.804 176.940 176.300 -0.273 0.000 0.961 165 R CA -0.862 54.980 56.100 -0.429 0.000 1.086 165 R CB -0.494 29.407 30.300 -0.664 0.000 1.186 165 R HN -0.440 7.468 8.270 -0.603 0.000 0.537 166 R N -0.421 119.939 120.500 -0.234 0.000 2.127 166 R HA -0.312 4.000 4.340 -0.124 -0.046 0.238 166 R C 1.865 178.124 176.300 -0.067 0.000 1.134 166 R CA 3.206 59.225 56.100 -0.135 0.000 0.975 166 R CB -0.786 29.442 30.300 -0.119 0.000 0.865 166 R HN -0.852 7.200 8.270 -0.255 0.065 0.447 167 Q N -1.816 117.939 119.800 -0.076 0.000 2.226 167 Q HA -0.206 4.118 4.340 -0.027 0.000 0.204 167 Q C 1.119 177.092 176.000 -0.044 0.000 0.975 167 Q CA 1.993 57.768 55.803 -0.047 0.000 0.866 167 Q CB -0.969 27.739 28.738 -0.050 0.000 0.915 167 Q HN 0.329 8.540 8.270 -0.098 0.000 0.440 168 S N -2.560 113.102 115.700 -0.063 0.000 2.468 168 S HA -0.069 4.367 4.470 -0.057 0.000 0.226 168 S C 1.913 176.496 174.600 -0.028 0.000 1.051 168 S CA 1.638 59.805 58.200 -0.056 0.000 0.943 168 S CB 0.478 63.638 63.200 -0.066 0.000 0.810 168 S HN -0.463 7.782 8.310 -0.087 0.013 0.509 169 V N -4.102 115.819 119.914 0.012 0.000 3.471 169 V HA 0.186 4.441 4.120 0.226 0.000 0.258 169 V C -1.560 174.669 176.094 0.227 0.000 1.192 169 V CA 0.186 62.592 62.300 0.177 0.000 1.116 169 V CB 0.924 32.860 31.823 0.189 0.000 0.792 169 V HN -0.327 7.843 8.190 -0.034 0.000 0.459 170 L N 0.351 121.656 121.223 0.136 0.000 2.292 170 L HA 0.401 5.101 4.340 0.267 -0.199 0.284 170 L C -0.014 176.950 176.870 0.157 0.000 1.065 170 L CA -0.338 54.615 54.840 0.188 0.000 0.806 170 L CB 0.594 42.748 42.059 0.158 0.000 1.175 170 L HN -0.759 7.514 8.230 0.071 0.000 0.431 171 V N -5.194 114.843 119.914 0.205 0.000 3.113 171 V HA 0.668 4.954 4.120 0.079 -0.119 0.316 171 V C -0.449 175.737 176.094 0.153 0.000 1.125 171 V CA -3.702 58.679 62.300 0.134 0.000 1.026 171 V CB 3.488 35.358 31.823 0.079 0.000 1.080 171 V HN 0.048 8.408 8.190 0.283 0.000 0.444 172 K N -1.704 118.761 120.400 0.109 0.000 2.393 172 K HA 0.042 4.446 4.320 0.141 0.000 0.193 172 K C -0.779 175.912 176.600 0.153 0.000 1.026 172 K CA 0.750 57.111 56.287 0.123 0.000 1.064 172 K CB 0.858 33.408 32.500 0.083 0.000 0.833 172 K HN 0.325 9.297 8.250 0.074 -0.677 0.521 173 S N -6.492 109.301 115.700 0.155 0.000 2.587 173 S HA 0.123 4.736 4.470 0.239 0.000 0.269 173 S C -0.909 173.805 174.600 0.190 0.000 1.154 173 S CA -1.588 56.722 58.200 0.183 0.000 0.824 173 S CB 2.700 65.974 63.200 0.124 0.000 1.118 173 S HN -0.811 7.598 8.310 0.131 -0.020 0.462 174 N N 1.718 120.565 118.700 0.245 0.000 2.149 174 N HA -0.373 4.639 4.740 0.454 0.000 0.188 174 N C 1.484 177.051 175.510 0.093 0.000 1.019 174 N CA 3.364 56.584 53.050 0.283 0.000 0.857 174 N CB -0.287 38.382 38.487 0.303 0.000 0.997 174 N HN 0.676 9.210 8.380 0.256 0.000 0.426 175 E N 0.057 120.304 120.200 0.079 0.000 2.077 175 E HA -0.329 4.050 4.350 0.047 0.000 0.193 175 E C 1.838 178.413 176.600 -0.041 0.000 0.989 175 E CA 2.918 59.339 56.400 0.034 0.000 0.800 175 E CB -0.719 29.012 29.700 0.051 0.000 0.746 175 E HN 0.297 8.712 8.360 0.102 0.006 0.452 176 E N -1.216 118.950 120.200 -0.057 0.000 2.110 176 E HA -0.247 4.045 4.350 -0.096 0.000 0.193 176 E C 2.544 178.982 176.600 -0.270 0.000 0.988 176 E CA 2.322 58.653 56.400 -0.115 0.000 0.804 176 E CB -0.416 29.243 29.700 -0.068 0.000 0.745 176 E HN -0.572 7.778 8.360 -0.016 0.000 0.458 177 G N -0.476 108.030 108.800 -0.490 0.000 2.422 177 G HA2 -0.258 3.163 3.960 -0.897 0.000 0.218 177 G HA3 -0.258 2.273 3.960 -2.381 0.000 0.218 177 G C 1.234 175.757 174.900 -0.627 0.000 1.146 177 G CA 1.952 46.381 45.100 -1.118 0.000 0.769 177 G HN -0.426 7.544 8.290 -0.404 0.077 0.547 178 I N 2.074 122.450 120.570 -0.323 0.000 2.179 178 I HA -0.587 3.588 4.170 0.009 0.000 0.242 178 I C 1.539 177.627 176.117 -0.049 0.000 1.088 178 I CA 4.080 65.344 61.300 -0.060 0.000 1.357 178 I CB -0.080 37.936 38.000 0.028 0.000 1.051 178 I HN -0.204 7.835 8.210 -0.286 0.000 0.409 179 Q N -0.857 118.891 119.800 -0.088 0.000 2.124 179 Q HA -0.403 3.915 4.340 -0.037 0.000 0.202 179 Q C 2.448 178.392 176.000 -0.095 0.000 0.977 179 Q CA 3.276 59.037 55.803 -0.070 0.000 0.850 179 Q CB -0.452 28.242 28.738 -0.072 0.000 0.901 179 Q HN -0.332 7.872 8.270 -0.109 0.000 0.429 180 R N -0.435 119.951 120.500 -0.189 0.000 2.092 180 R HA -0.254 3.952 4.340 -0.224 0.000 0.231 180 R C 2.538 178.824 176.300 -0.022 0.000 1.119 180 R CA 3.312 59.252 56.100 -0.266 0.000 0.970 180 R CB -0.019 29.824 30.300 -0.763 0.000 0.864 180 R HN -0.472 7.650 8.270 -0.246 0.000 0.440 181 V N 0.723 120.729 119.914 0.153 0.000 2.332 181 V HA -0.453 4.076 4.120 0.412 -0.162 0.248 181 V C 1.904 178.076 176.094 0.131 0.000 1.055 181 V CA 4.112 66.575 62.300 0.273 0.000 1.038 181 V CB -0.092 31.901 31.823 0.283 0.000 0.651 181 V HN -0.306 7.951 8.190 0.112 0.000 0.450 182 L N -4.514 116.747 121.223 0.063 0.000 2.291 182 L HA -0.210 4.147 4.340 0.029 0.000 0.214 182 L C 1.739 178.621 176.870 0.020 0.000 1.120 182 L CA 2.372 57.230 54.840 0.030 0.000 0.799 182 L CB 0.010 42.079 42.059 0.016 0.000 0.925 182 L HN -0.472 7.784 8.230 0.045 0.000 0.446 183 T N -7.662 106.901 114.554 0.015 0.000 3.043 183 T HA 0.043 4.397 4.350 0.006 0.000 0.272 183 T C 0.070 174.779 174.700 0.016 0.000 0.990 183 T CA -0.312 61.791 62.100 0.004 0.000 0.897 183 T CB 0.669 69.526 68.868 -0.018 0.000 1.111 183 T HN -0.517 7.695 8.240 0.014 0.036 0.529 184 S N 1.163 116.893 115.700 0.050 0.000 2.643 184 S HA 0.137 4.647 4.470 0.067 0.000 0.270 184 S C -1.773 172.929 174.600 0.169 0.000 1.166 184 S CA -0.955 57.294 58.200 0.083 0.000 0.815 184 S CB 2.381 65.608 63.200 0.045 0.000 1.139 184 S HN -0.627 7.725 8.310 0.070 0.000 0.472 185 D N 2.587 123.104 120.400 0.195 0.000 2.483 185 D HA 0.121 4.939 4.640 0.297 0.000 0.220 185 D C -2.022 174.504 176.300 0.378 0.000 1.173 185 D CA -0.141 54.024 54.000 0.274 0.000 0.964 185 D CB -1.000 39.924 40.800 0.207 0.000 1.046 185 D HN 0.315 8.781 8.370 0.160 0.000 0.517 186 Y N 4.948 125.423 120.300 0.293 0.000 2.441 186 Y HA 0.570 5.466 4.550 0.200 -0.225 0.334 186 Y C -2.790 173.309 175.900 0.332 0.000 1.061 186 Y CA -1.020 57.226 58.100 0.243 0.000 1.032 186 Y CB 3.770 42.332 38.460 0.169 0.000 1.266 186 Y HN -0.674 7.935 8.280 0.549 0.000 0.441 187 A N 6.609 129.293 122.820 -0.227 0.000 2.330 187 A HA 0.600 5.159 4.320 0.175 -0.134 0.327 187 A C -2.668 174.734 177.584 -0.304 0.000 1.155 187 A CA -2.431 49.509 52.037 -0.162 0.000 0.803 187 A CB 3.075 21.823 19.000 -0.419 0.000 1.208 187 A HN 0.639 8.547 8.150 -0.403 0.000 0.477 188 F N 3.823 123.685 119.950 -0.148 0.000 2.444 188 F HA 0.372 4.802 4.527 -0.161 0.000 0.342 188 F C -2.199 173.600 175.800 -0.003 0.000 1.121 188 F CA -3.046 54.928 58.000 -0.044 0.000 0.997 188 F CB 3.661 42.786 39.000 0.207 0.000 1.130 188 F HN 0.258 8.715 8.300 0.262 0.000 0.454 189 L N 9.137 130.092 121.223 -0.447 0.000 2.315 189 L HA 0.397 4.785 4.340 -0.230 -0.186 0.283 189 L C -1.218 175.295 176.870 -0.596 0.000 1.089 189 L CA -0.253 54.358 54.840 -0.381 0.000 0.833 189 L CB -0.845 41.053 42.059 -0.267 0.000 1.170 189 L HN 0.442 8.422 8.230 -0.417 0.000 0.442 190 M N 3.394 122.795 119.600 -0.332 0.000 2.520 190 M HA 0.416 4.708 4.480 -0.315 0.000 0.283 190 M C -2.281 173.970 176.300 -0.082 0.000 1.237 190 M CA -0.942 54.219 55.300 -0.232 0.000 0.885 190 M CB 4.259 36.859 32.600 -0.001 0.000 1.727 190 M HN 0.354 8.523 8.290 -0.202 0.000 0.468 191 E N 2.553 122.739 120.200 -0.024 0.000 2.373 191 E HA 0.028 4.470 4.350 -0.072 -0.135 0.267 191 E C 1.311 177.943 176.600 0.054 0.000 1.032 191 E CA 0.364 56.760 56.400 -0.008 0.000 0.889 191 E CB 0.852 30.573 29.700 0.036 0.000 0.984 191 E HN 0.611 8.970 8.360 -0.002 0.000 0.425 192 S N 4.035 119.736 115.700 0.001 0.000 2.402 192 S HA -0.305 4.197 4.470 0.053 0.000 0.229 192 S C 1.616 176.289 174.600 0.121 0.000 1.021 192 S CA 3.604 61.826 58.200 0.037 0.000 0.974 192 S CB 0.244 63.427 63.200 -0.028 0.000 0.800 192 S HN 0.407 8.682 8.310 -0.059 0.000 0.484 193 T N -1.706 112.937 114.554 0.147 0.000 2.867 193 T HA -0.167 4.326 4.350 0.238 0.000 0.268 193 T C 1.680 176.724 174.700 0.572 0.000 1.057 193 T CA 2.724 65.007 62.100 0.306 0.000 1.136 193 T CB -0.356 68.666 68.868 0.256 0.000 0.874 193 T HN 0.031 8.321 8.240 0.085 0.000 0.466 194 T N 5.019 119.852 114.554 0.465 0.000 2.857 194 T HA -0.260 4.374 4.350 0.474 0.000 0.266 194 T C 1.507 176.430 174.700 0.372 0.000 1.048 194 T CA 4.739 67.097 62.100 0.431 0.000 1.139 194 T CB -0.189 68.885 68.868 0.344 0.000 0.874 194 T HN -0.774 7.695 8.240 0.382 0.000 0.455 195 I N 1.937 122.678 120.570 0.286 0.000 2.208 195 I HA -0.519 3.793 4.170 0.237 0.000 0.245 195 I C 1.482 177.748 176.117 0.249 0.000 1.097 195 I CA 4.474 65.915 61.300 0.235 0.000 1.363 195 I CB -0.323 37.775 38.000 0.164 0.000 1.051 195 I HN -0.154 8.204 8.210 0.247 0.000 0.413 196 E N 0.313 120.691 120.200 0.297 0.000 2.085 196 E HA -0.381 4.097 4.350 0.213 0.000 0.194 196 E C 2.316 179.129 176.600 0.356 0.000 0.994 196 E CA 2.959 59.544 56.400 0.307 0.000 0.801 196 E CB -0.117 29.788 29.700 0.341 0.000 0.743 196 E HN -0.439 8.106 8.360 0.308 0.000 0.453 197 F N 0.309 120.435 119.950 0.293 0.000 2.102 197 F HA -0.294 4.405 4.527 0.026 -0.156 0.298 197 F C 2.051 177.874 175.800 0.039 0.000 1.105 197 F CA 3.270 61.288 58.000 0.030 0.000 1.239 197 F CB 0.330 39.151 39.000 -0.299 0.000 0.991 197 F HN -0.852 7.843 8.300 0.658 0.000 0.474 198 V N -2.002 118.018 119.914 0.178 0.000 2.358 198 V HA -0.652 3.497 4.120 0.049 0.000 0.246 198 V C 2.440 178.541 176.094 0.012 0.000 1.047 198 V CA 3.941 66.298 62.300 0.095 0.000 1.035 198 V CB -0.142 31.800 31.823 0.198 0.000 0.658 198 V HN -0.198 8.178 8.190 0.311 0.000 0.452 199 T N -2.584 112.001 114.554 0.052 0.000 2.951 199 T HA -0.332 4.038 4.350 0.033 0.000 0.268 199 T C 1.062 175.755 174.700 -0.011 0.000 1.073 199 T CA 2.750 64.871 62.100 0.035 0.000 1.134 199 T CB -0.077 68.830 68.868 0.065 0.000 0.884 199 T HN -0.078 8.219 8.240 0.096 0.000 0.479 200 Q N 0.645 120.417 119.800 -0.047 0.000 2.436 200 Q HA -0.201 4.117 4.340 -0.037 0.000 0.209 200 Q C 0.733 176.655 176.000 -0.131 0.000 0.965 200 Q CA 2.072 57.830 55.803 -0.076 0.000 0.910 200 Q CB 0.035 28.729 28.738 -0.074 0.000 0.980 200 Q HN -0.689 7.537 8.270 -0.047 0.016 0.491 201 R N -4.596 115.802 120.500 -0.170 0.000 2.446 201 R HA 0.130 4.385 4.340 -0.143 0.000 0.254 201 R C -0.310 175.945 176.300 -0.076 0.000 0.918 201 R CA 0.013 56.017 56.100 -0.159 0.000 1.069 201 R CB 1.467 31.610 30.300 -0.261 0.000 1.194 201 R HN -0.608 7.398 8.270 -0.167 0.164 0.534 202 N N -0.268 118.405 118.700 -0.045 0.000 2.648 202 N HA 0.306 5.036 4.740 -0.016 0.000 0.261 202 N C -0.883 174.622 175.510 -0.008 0.000 1.138 202 N CA -0.098 52.943 53.050 -0.015 0.000 0.804 202 N CB 2.716 41.209 38.487 0.009 0.000 1.237 202 N HN -0.508 7.844 8.380 -0.046 0.000 0.532 203 c N 0.989 119.581 118.600 -0.013 0.000 2.539 203 c HA 0.018 4.584 4.570 -0.007 0.000 0.271 203 c C 0.307 174.393 174.090 -0.007 0.000 1.412 203 c CA 0.615 56.939 56.329 -0.009 0.000 1.729 203 c CB -1.901 40.602 42.510 -0.011 0.000 1.739 203 c HN 0.663 8.884 8.230 -0.015 0.000 0.570 204 N N -1.216 117.478 118.700 -0.009 0.000 2.336 204 N HA -0.085 4.643 4.740 -0.020 0.000 0.189 204 N C -1.173 174.325 175.510 -0.020 0.000 1.113 204 N CA 0.683 53.723 53.050 -0.017 0.000 0.858 204 N CB -0.473 38.001 38.487 -0.021 0.000 0.970 204 N HN 0.308 8.628 8.380 -0.008 0.055 0.471 205 L N -2.029 119.196 121.223 0.002 0.000 2.322 205 L HA 0.678 5.166 4.340 0.007 -0.143 0.269 205 L C -0.697 176.196 176.870 0.038 0.000 1.012 205 L CA -0.990 53.864 54.840 0.023 0.000 0.815 205 L CB 2.650 44.742 42.059 0.054 0.000 1.295 205 L HN -0.486 7.694 8.230 0.007 0.054 0.438 206 T N -1.338 113.254 114.554 0.062 0.000 2.853 206 T HA 0.318 4.706 4.350 0.063 0.000 0.311 206 T C -1.720 173.039 174.700 0.098 0.000 1.307 206 T CA -2.156 59.986 62.100 0.069 0.000 1.019 206 T CB 2.620 71.519 68.868 0.052 0.000 1.264 206 T HN 0.242 8.528 8.240 0.077 0.000 0.497 207 Q N 4.922 124.772 119.800 0.084 0.000 2.314 207 Q HA 0.408 5.019 4.340 0.093 -0.215 0.258 207 Q C -0.553 175.491 176.000 0.073 0.000 0.954 207 Q CA 0.261 56.112 55.803 0.080 0.000 0.890 207 Q CB 1.029 29.804 28.738 0.061 0.000 1.210 207 Q HN 0.281 8.595 8.270 0.073 0.000 0.410 208 I N 5.957 126.569 120.570 0.071 0.000 2.339 208 I HA 0.105 4.312 4.170 0.061 0.000 0.290 208 I C -0.343 175.788 176.117 0.024 0.000 0.994 208 I CA -1.792 59.541 61.300 0.056 0.000 1.191 208 I CB -0.610 37.425 38.000 0.058 0.000 1.343 208 I HN 0.149 8.401 8.210 0.070 0.000 0.458 209 G N 5.558 114.369 108.800 0.019 0.000 2.645 209 G HA2 -0.369 3.596 3.960 0.009 0.000 0.239 209 G HA3 -0.369 3.594 3.960 0.006 0.000 0.239 209 G C -1.273 173.629 174.900 0.002 0.000 1.331 209 G CA 0.091 45.197 45.100 0.009 0.000 0.890 209 G HN 0.104 8.409 8.290 0.025 0.000 0.572 210 G N -1.657 107.140 108.800 -0.005 0.000 2.782 210 G HA2 0.222 4.173 3.960 -0.016 0.000 0.201 210 G HA3 0.222 4.172 3.960 -0.018 0.000 0.201 210 G C -1.192 173.685 174.900 -0.038 0.000 1.374 210 G CA -0.693 44.396 45.100 -0.018 0.000 1.039 210 G HN 0.111 8.400 8.290 -0.002 0.000 0.576 211 L N -1.191 119.997 121.223 -0.058 0.000 2.326 211 L HA -0.001 4.429 4.340 -0.111 -0.156 0.278 211 L C 0.508 177.310 176.870 -0.113 0.000 1.092 211 L CA 0.169 54.949 54.840 -0.100 0.000 0.810 211 L CB 0.934 42.925 42.059 -0.115 0.000 1.153 211 L HN 0.006 8.205 8.230 -0.052 0.000 0.439 212 I N 0.538 120.996 120.570 -0.187 0.000 2.852 212 I HA -0.050 4.063 4.170 -0.094 0.000 0.264 212 I C -0.229 175.691 176.117 -0.327 0.000 1.179 212 I CA 1.515 62.671 61.300 -0.240 0.000 1.480 212 I CB 0.985 38.733 38.000 -0.420 0.000 1.111 212 I HN 0.591 8.665 8.210 -0.226 0.000 0.441 213 D N -2.361 117.801 120.400 -0.396 0.000 2.752 213 D HA 0.102 4.604 4.640 -0.231 0.000 0.313 213 D C -2.080 174.065 176.300 -0.258 0.000 1.225 213 D CA -1.499 52.286 54.000 -0.359 0.000 0.976 213 D CB 2.066 42.498 40.800 -0.614 0.000 1.443 213 D HN -0.603 7.539 8.370 -0.380 0.000 0.515 214 S N -0.692 114.883 115.700 -0.209 0.000 2.605 214 S HA 0.589 5.069 4.470 -0.188 -0.123 0.308 214 S C -0.557 173.927 174.600 -0.192 0.000 1.113 214 S CA -1.127 56.965 58.200 -0.179 0.000 1.049 214 S CB 1.741 64.865 63.200 -0.127 0.000 1.001 214 S HN 0.062 8.258 8.310 -0.190 0.000 0.480 215 K N 2.847 123.109 120.400 -0.230 0.000 2.548 215 K HA 0.316 4.510 4.320 -0.210 0.000 0.282 215 K C -2.588 173.825 176.600 -0.312 0.000 1.006 215 K CA -1.479 54.660 56.287 -0.247 0.000 0.892 215 K CB 2.630 34.981 32.500 -0.249 0.000 1.499 215 K HN 0.454 8.555 8.250 -0.248 0.000 0.433 216 G N -2.710 105.895 108.800 -0.325 0.000 2.569 216 G HA2 0.634 4.444 3.960 -0.466 0.000 0.300 216 G HA3 0.634 4.399 3.960 -0.324 0.000 0.300 216 G C -2.166 172.487 174.900 -0.411 0.000 1.269 216 G CA -1.418 43.445 45.100 -0.394 0.000 0.959 216 G HN 0.033 8.147 8.290 -0.294 0.000 0.478 217 Y N -0.596 119.407 120.300 -0.496 0.000 2.308 217 Y HA 0.581 5.054 4.550 -0.441 -0.188 0.329 217 Y C -0.327 175.099 175.900 -0.790 0.000 1.111 217 Y CA -2.340 55.373 58.100 -0.646 0.000 1.179 217 Y CB 1.232 39.166 38.460 -0.877 0.000 1.201 217 Y HN -0.113 7.808 8.280 -0.598 0.000 0.483 218 G N -0.329 108.379 108.800 -0.154 0.000 2.605 218 G HA2 0.573 4.606 3.960 0.122 0.000 0.296 218 G HA3 0.573 4.652 3.960 0.198 0.000 0.296 218 G C -2.160 173.035 174.900 0.492 0.000 1.304 218 G CA -1.453 43.745 45.100 0.163 0.000 0.941 218 G HN -0.117 8.169 8.290 -0.007 0.000 0.475 219 V N 1.063 121.270 119.914 0.487 0.000 2.508 219 V HA -0.153 4.274 4.120 0.278 -0.139 0.281 219 V C 0.063 176.244 176.094 0.145 0.000 1.041 219 V CA 0.689 63.160 62.300 0.286 0.000 1.016 219 V CB 0.536 32.465 31.823 0.178 0.000 0.984 219 V HN -0.033 8.441 8.190 0.474 0.000 0.478 220 G N 6.229 115.007 108.800 -0.036 0.000 2.420 220 G HA2 0.537 4.308 3.960 -0.582 0.000 0.284 220 G HA3 0.537 4.241 3.960 -0.426 0.000 0.284 220 G C -2.047 172.687 174.900 -0.277 0.000 1.177 220 G CA -1.166 43.723 45.100 -0.351 0.000 0.841 220 G HN 0.086 8.371 8.290 -0.009 0.000 0.527 221 T N -1.566 112.794 114.554 -0.324 0.000 2.896 221 T HA 0.733 5.065 4.350 -0.248 -0.130 0.297 221 T C -2.502 172.022 174.700 -0.292 0.000 1.108 221 T CA -3.428 58.522 62.100 -0.250 0.000 1.004 221 T CB 1.864 70.646 68.868 -0.143 0.000 1.159 221 T HN 0.427 8.423 8.240 -0.408 0.000 0.499 222 P HA -0.024 4.205 4.420 -0.319 0.000 0.268 222 P C -0.692 176.489 177.300 -0.197 0.000 1.208 222 P CA 0.211 63.114 63.100 -0.327 0.000 0.777 222 P CB 0.557 31.873 31.700 -0.639 0.000 0.875 223 M N 3.780 123.296 119.600 -0.141 0.000 2.260 223 M HA -0.596 3.975 4.480 -0.097 -0.149 0.348 223 M C 0.909 177.191 176.300 -0.030 0.000 1.342 223 M CA 2.172 57.423 55.300 -0.082 0.000 1.040 223 M CB 0.178 32.739 32.600 -0.065 0.000 1.810 223 M HN 0.544 8.749 8.290 -0.142 0.000 0.453 224 G N 4.203 112.986 108.800 -0.028 0.000 2.176 224 G HA2 -0.342 3.611 3.960 -0.011 0.000 0.253 224 G HA3 -0.342 3.620 3.960 0.004 0.000 0.253 224 G C -0.414 174.480 174.900 -0.010 0.000 0.979 224 G CA -0.357 44.738 45.100 -0.009 0.000 0.641 224 G HN 0.358 8.965 8.290 -0.036 -0.339 0.530 225 S N 2.200 117.886 115.700 -0.024 0.000 2.549 225 S HA 0.242 4.715 4.470 0.004 0.000 0.286 225 S C 0.327 174.916 174.600 -0.019 0.000 1.314 225 S CA -2.307 55.888 58.200 -0.008 0.000 1.062 225 S CB 1.085 64.282 63.200 -0.005 0.000 0.865 225 S HN -0.455 7.783 8.310 -0.044 0.045 0.498 226 P HA -0.026 4.337 4.420 -0.095 0.000 0.226 226 P C 0.440 177.627 177.300 -0.188 0.000 1.153 226 P CA 1.444 64.460 63.100 -0.139 0.000 0.777 226 P CB 0.138 31.710 31.700 -0.214 0.000 0.794 227 Y N -1.481 118.785 120.300 -0.057 0.000 2.439 227 Y HA -0.288 4.240 4.550 -0.037 0.000 0.292 227 Y C 1.792 177.671 175.900 -0.035 0.000 1.130 227 Y CA 3.060 61.124 58.100 -0.060 0.000 1.254 227 Y CB -0.550 37.831 38.460 -0.132 0.000 1.000 227 Y HN -0.390 7.884 8.280 0.044 0.033 0.554 228 R N -0.275 120.276 120.500 0.083 0.000 2.097 228 R HA -0.505 3.877 4.340 0.069 0.000 0.236 228 R C 1.452 177.791 176.300 0.065 0.000 1.135 228 R CA 4.641 60.778 56.100 0.061 0.000 0.934 228 R CB -0.306 30.011 30.300 0.027 0.000 0.846 228 R HN -0.825 7.451 8.270 0.057 0.028 0.431 229 D N -2.667 117.755 120.400 0.037 0.000 2.178 229 D HA -0.157 4.509 4.640 0.043 0.000 0.202 229 D C 2.178 178.504 176.300 0.042 0.000 0.974 229 D CA 3.282 57.302 54.000 0.034 0.000 0.841 229 D CB -0.691 40.116 40.800 0.012 0.000 0.953 229 D HN -0.003 8.378 8.370 0.018 0.000 0.478 230 K N 0.595 121.021 120.400 0.043 0.000 2.057 230 K HA -0.216 4.133 4.320 0.048 0.000 0.206 230 K C 2.356 179.022 176.600 0.109 0.000 1.050 230 K CA 3.120 59.446 56.287 0.065 0.000 0.935 230 K CB 0.018 32.551 32.500 0.056 0.000 0.715 230 K HN -0.899 7.368 8.250 0.027 0.000 0.439 231 I N -0.793 119.859 120.570 0.136 0.000 2.252 231 I HA -0.486 3.777 4.170 0.154 0.000 0.245 231 I C 1.525 177.710 176.117 0.112 0.000 1.102 231 I CA 3.823 65.208 61.300 0.141 0.000 1.385 231 I CB -0.039 38.048 38.000 0.145 0.000 1.064 231 I HN -0.136 8.157 8.210 0.139 0.000 0.414 232 T N 3.253 117.868 114.554 0.100 0.000 2.665 232 T HA -0.447 3.966 4.350 0.104 0.000 0.268 232 T C 1.781 176.520 174.700 0.065 0.000 1.035 232 T CA 5.530 67.683 62.100 0.088 0.000 1.151 232 T CB -0.146 68.765 68.868 0.072 0.000 0.862 232 T HN -0.409 7.890 8.240 0.097 0.000 0.438 233 L N -0.452 120.803 121.223 0.053 0.000 2.046 233 L HA -0.365 3.992 4.340 0.028 0.000 0.208 233 L C 1.754 178.635 176.870 0.018 0.000 1.077 233 L CA 3.117 57.976 54.840 0.033 0.000 0.747 233 L CB -0.460 41.616 42.059 0.029 0.000 0.896 233 L HN -0.506 7.757 8.230 0.056 0.000 0.432 234 A N -1.050 121.787 122.820 0.028 0.000 1.933 234 A HA -0.411 3.867 4.320 -0.069 0.000 0.218 234 A C 1.848 179.415 177.584 -0.028 0.000 1.175 234 A CA 3.008 55.033 52.037 -0.019 0.000 0.628 234 A CB -0.758 18.258 19.000 0.027 0.000 0.814 234 A HN -0.332 7.850 8.150 0.054 0.000 0.444 235 I N -1.392 119.200 120.570 0.035 0.000 2.179 235 I HA -0.623 3.577 4.170 0.051 0.000 0.242 235 I C 1.728 177.873 176.117 0.047 0.000 1.088 235 I CA 4.518 65.856 61.300 0.064 0.000 1.357 235 I CB 0.014 38.098 38.000 0.140 0.000 1.051 235 I HN -0.247 7.999 8.210 0.060 0.000 0.409 236 L N -0.970 120.276 121.223 0.040 0.000 2.083 236 L HA -0.368 4.165 4.340 0.040 -0.169 0.209 236 L C 2.559 179.432 176.870 0.005 0.000 1.083 236 L CA 2.927 57.784 54.840 0.029 0.000 0.752 236 L CB -0.533 41.542 42.059 0.026 0.000 0.899 236 L HN -0.192 8.064 8.230 0.043 0.000 0.433 237 K N -0.414 119.972 120.400 -0.024 0.000 2.057 237 K HA -0.272 4.028 4.320 -0.033 0.000 0.206 237 K C 2.556 179.118 176.600 -0.064 0.000 1.050 237 K CA 3.012 59.267 56.287 -0.054 0.000 0.935 237 K CB -0.012 32.429 32.500 -0.098 0.000 0.715 237 K HN -0.441 7.792 8.250 -0.028 0.000 0.439 238 L N -1.744 119.433 121.223 -0.077 0.000 2.042 238 L HA -0.346 4.093 4.340 -0.075 -0.144 0.210 238 L C 2.726 179.592 176.870 -0.007 0.000 1.076 238 L CA 3.029 57.836 54.840 -0.055 0.000 0.749 238 L CB -0.166 41.864 42.059 -0.047 0.000 0.893 238 L HN -0.225 7.955 8.230 -0.084 0.000 0.432 239 Q N -2.541 117.272 119.800 0.022 0.000 2.291 239 Q HA -0.293 4.087 4.340 0.065 0.000 0.205 239 Q C 3.251 179.277 176.000 0.044 0.000 0.970 239 Q CA 2.771 58.604 55.803 0.051 0.000 0.876 239 Q CB -0.443 28.333 28.738 0.065 0.000 0.935 239 Q HN -0.176 8.029 8.270 0.023 0.079 0.455 240 E N 0.066 120.280 120.200 0.023 0.000 2.072 240 E HA -0.265 4.104 4.350 0.031 0.000 0.191 240 E C 1.076 177.691 176.600 0.025 0.000 0.985 240 E CA 2.136 58.550 56.400 0.023 0.000 0.801 240 E CB -0.094 29.612 29.700 0.010 0.000 0.750 240 E HN -0.499 7.781 8.360 0.012 0.087 0.452 241 Q N -3.811 115.994 119.800 0.007 0.000 2.472 241 Q HA -0.146 4.200 4.340 0.011 0.000 0.208 241 Q C 0.718 176.716 176.000 -0.003 0.000 0.958 241 Q CA 0.909 56.714 55.803 0.002 0.000 0.932 241 Q CB 0.515 29.245 28.738 -0.014 0.000 1.007 241 Q HN -0.425 7.718 8.270 -0.004 0.125 0.508 242 G N -1.766 107.035 108.800 0.001 0.000 2.176 242 G HA2 -0.412 3.617 3.960 0.114 0.000 0.232 242 G HA3 -0.412 3.535 3.960 -0.023 0.000 0.232 242 G C 0.131 174.834 174.900 -0.328 0.000 0.986 242 G CA 0.549 45.621 45.100 -0.045 0.000 0.643 242 G HN -0.192 8.066 8.290 0.020 0.044 0.522 243 K N 0.298 120.611 120.400 -0.146 0.000 2.228 243 K HA -0.142 4.071 4.320 -0.179 0.000 0.202 243 K C 1.353 177.893 176.600 -0.100 0.000 1.051 243 K CA 2.637 58.843 56.287 -0.135 0.000 0.960 243 K CB 0.108 32.572 32.500 -0.059 0.000 0.743 243 K HN -0.460 7.683 8.250 -0.072 0.064 0.458 244 L N -3.131 118.077 121.223 -0.026 0.000 2.072 244 L HA -0.199 4.192 4.340 0.086 0.000 0.205 244 L C 1.798 178.762 176.870 0.156 0.000 1.079 244 L CA 3.031 57.932 54.840 0.101 0.000 0.752 244 L CB -0.420 41.752 42.059 0.188 0.000 0.906 244 L HN -0.180 8.045 8.230 -0.009 0.000 0.436 245 H N -2.308 116.834 119.070 0.120 0.000 2.423 245 H HA -0.223 4.388 4.556 0.092 0.000 0.297 245 H C 1.649 177.041 175.328 0.107 0.000 1.075 245 H CA 2.622 58.724 56.048 0.092 0.000 1.342 245 H CB -0.870 28.918 29.762 0.044 0.000 1.395 245 H HN -0.563 7.740 8.280 0.038 0.000 0.530 246 M N 0.368 119.795 119.600 -0.289 0.000 2.175 246 M HA -0.224 4.475 4.480 0.025 -0.204 0.264 246 M C 2.164 178.516 176.300 0.088 0.000 1.063 246 M CA 3.728 58.981 55.300 -0.079 0.000 1.119 246 M CB 0.026 32.525 32.600 -0.168 0.000 1.377 246 M HN -0.580 7.366 8.290 -0.573 0.000 0.415 247 M N 0.452 120.128 119.600 0.127 0.000 2.159 247 M HA -0.473 4.150 4.480 0.238 0.000 0.263 247 M C 1.430 178.074 176.300 0.573 0.000 1.063 247 M CA 4.282 59.743 55.300 0.270 0.000 1.110 247 M CB 0.002 32.642 32.600 0.067 0.000 1.374 247 M HN -0.339 7.993 8.290 0.070 0.000 0.411 248 K N -0.891 119.825 120.400 0.526 0.000 2.057 248 K HA -0.448 4.248 4.320 0.627 0.000 0.207 248 K C 1.954 178.801 176.600 0.412 0.000 1.049 248 K CA 3.793 60.323 56.287 0.405 0.000 0.931 248 K CB -0.069 32.392 32.500 -0.066 0.000 0.714 248 K HN -0.241 8.263 8.250 0.424 0.000 0.440 249 E N -0.775 119.591 120.200 0.277 0.000 2.085 249 E HA -0.375 4.122 4.350 0.245 0.000 0.194 249 E C 1.893 178.625 176.600 0.219 0.000 0.994 249 E CA 2.825 59.366 56.400 0.236 0.000 0.801 249 E CB -0.414 29.390 29.700 0.174 0.000 0.743 249 E HN -0.322 8.185 8.360 0.244 0.000 0.453 250 K N -1.004 119.488 120.400 0.154 0.000 2.032 250 K HA -0.311 3.953 4.320 -0.093 0.000 0.209 250 K C 1.874 178.381 176.600 -0.155 0.000 1.048 250 K CA 2.935 59.176 56.287 -0.077 0.000 0.927 250 K CB -0.065 32.307 32.500 -0.213 0.000 0.712 250 K HN -0.479 7.879 8.250 0.180 0.000 0.441 251 W N -5.095 116.413 121.300 0.347 0.000 2.942 251 W HA -0.078 4.684 4.660 0.170 0.000 0.263 251 W C 1.469 178.167 176.519 0.299 0.000 1.296 251 W CA 0.751 58.262 57.345 0.277 0.000 1.504 251 W CB 0.816 30.419 29.460 0.238 0.000 1.096 251 W HN -0.863 7.663 8.180 0.578 0.000 0.639 252 W N -2.985 118.511 121.300 0.327 0.000 3.107 252 W HA 0.014 5.003 4.660 0.547 0.000 0.293 252 W C -0.062 176.563 176.519 0.178 0.000 1.239 252 W CA 0.812 58.359 57.345 0.338 0.000 1.653 252 W CB 1.684 31.298 29.460 0.256 0.000 1.068 252 W HN -0.106 8.580 8.180 0.842 0.000 0.615 257 c N 0.713 119.307 118.600 -0.009 0.000 2.634 257 c HA 0.576 5.139 4.570 -0.011 0.000 0.313 257 c C -1.329 172.759 174.090 -0.003 0.000 1.198 257 c CA -2.241 54.083 56.329 -0.008 0.000 1.605 257 c CB 0.075 42.581 42.510 -0.007 0.000 2.196 257 c HN 0.047 8.274 8.230 -0.004 0.000 0.486 258 P HA 0.000 4.419 4.420 -0.001 0.000 0.216 258 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 258 P CB 0.000 31.698 31.700 -0.003 0.000 0.726