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 2jc5_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLKIISANVN GIRSAYKKGF YEYIAASGAD IVCVQELKAQ EADLSADMKN DATA SEQUENCE PHGMHGHWHC AEKRGYSGVA VYSKRKPDNV QIGMGIEEFD REGRFVRCDF DATA SEQUENCE GRLSVISLYL PSGSSAEERQ QVKYRFLDAF YPMLEAMKNE GRDIVVCGDW DATA SEQUENCE NIAHQNIDLK NWKGNQKNSG FLPEEREWIG KVIHKLGWTD MWRTLYPDVP DATA SEQUENCE GYTWWSNRGQ AYAKDVGWRI DYQMVTPELA AKAVSAHVYK DEKFSDHAPL DATA SEQUENCE VVEYDYAAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.534 4.480 0.089 0.000 0.227 1 M C 0.000 176.357 176.300 0.095 0.000 1.140 1 M CA 0.000 55.349 55.300 0.081 0.000 0.988 1 M CB 0.000 32.649 32.600 0.082 0.000 1.302 2 L N 3.187 124.501 121.223 0.152 0.000 2.369 2 L HA 0.098 4.662 4.340 0.102 -0.163 0.279 2 L C -1.712 175.279 176.870 0.202 0.000 1.108 2 L CA -0.248 54.690 54.840 0.162 0.000 0.852 2 L CB 0.709 42.898 42.059 0.217 0.000 1.169 2 L HN 0.385 8.728 8.230 0.189 0.000 0.452 3 K N 8.936 129.414 120.400 0.130 0.000 2.293 3 K HA 0.557 5.142 4.320 0.157 -0.171 0.267 3 K C -1.428 175.251 176.600 0.132 0.000 1.010 3 K CA -1.266 55.098 56.287 0.128 0.000 0.875 3 K CB 1.910 34.450 32.500 0.067 0.000 1.106 3 K HN 0.259 8.877 8.250 0.086 -0.317 0.450 4 I N 7.015 127.707 120.570 0.204 0.000 2.406 4 I HA 0.526 4.975 4.170 0.144 -0.192 0.290 4 I C -1.472 174.757 176.117 0.186 0.000 0.999 4 I CA -1.234 60.183 61.300 0.195 0.000 1.124 4 I CB 2.678 40.829 38.000 0.250 0.000 1.289 4 I HN 0.343 8.706 8.210 0.255 0.000 0.441 5 I N 6.554 127.225 120.570 0.168 0.000 2.433 5 I HA 0.599 5.072 4.170 0.187 -0.190 0.292 5 I C -1.453 174.800 176.117 0.227 0.000 1.001 5 I CA -1.600 59.817 61.300 0.194 0.000 1.119 5 I CB 3.056 41.171 38.000 0.192 0.000 1.289 5 I HN 0.349 8.653 8.210 0.157 0.000 0.438 6 S N 6.031 121.870 115.700 0.232 0.000 2.449 6 S HA 0.813 5.592 4.470 0.201 -0.188 0.310 6 S C -1.996 172.736 174.600 0.220 0.000 1.096 6 S CA -2.005 56.324 58.200 0.215 0.000 1.095 6 S CB 1.467 64.796 63.200 0.215 0.000 1.007 6 S HN 0.435 8.882 8.310 0.228 0.000 0.474 7 A N 5.170 128.098 122.820 0.180 0.000 2.414 7 A HA 0.362 4.773 4.320 0.152 0.000 0.286 7 A C -2.695 174.852 177.584 -0.063 0.000 1.073 7 A CA -0.747 51.367 52.037 0.129 0.000 0.727 7 A CB 3.529 22.678 19.000 0.248 0.000 1.215 7 A HN 0.651 8.896 8.150 0.157 0.000 0.430 8 N N 4.562 123.148 118.700 -0.190 0.000 2.401 8 N HA 0.034 4.706 4.740 -0.391 -0.167 0.255 8 N C 1.171 176.521 175.510 -0.268 0.000 1.110 8 N CA -0.653 52.150 53.050 -0.413 0.000 0.949 8 N CB 0.238 38.151 38.487 -0.957 0.000 1.110 8 N HN 0.517 8.798 8.380 -0.164 0.000 0.490 9 V N 2.005 121.748 119.914 -0.284 0.000 3.623 9 V HA 0.059 4.018 4.120 -0.268 0.000 0.271 9 V C -0.154 175.857 176.094 -0.139 0.000 1.248 9 V CA -0.552 61.583 62.300 -0.276 0.000 1.156 9 V CB -0.165 31.396 31.823 -0.437 0.000 0.870 9 V HN 0.088 8.092 8.190 -0.310 0.000 0.453 10 N N 0.549 119.175 118.700 -0.123 0.000 2.725 10 N HA -0.432 4.524 4.740 -0.059 -0.251 0.251 10 N C -0.918 174.561 175.510 -0.051 0.000 1.031 10 N CA 1.013 54.038 53.050 -0.042 0.000 0.720 10 N CB -1.432 37.097 38.487 0.071 0.000 0.930 10 N HN -0.323 8.157 8.380 -0.189 -0.212 0.543 11 G N -3.979 104.760 108.800 -0.102 0.000 3.383 11 G HA2 -0.390 3.537 3.960 -0.055 0.000 0.685 11 G HA3 -0.390 3.771 3.960 -0.100 -0.261 0.685 11 G C -0.746 174.098 174.900 -0.095 0.000 1.104 11 G CA -0.409 44.640 45.100 -0.086 0.000 0.957 11 G HN 0.001 8.203 8.290 -0.147 0.000 0.461 12 I N 4.525 125.013 120.570 -0.136 0.000 2.394 12 I HA -0.329 3.767 4.170 -0.123 0.000 0.251 12 I C 0.455 176.464 176.117 -0.180 0.000 1.136 12 I CA 1.360 62.559 61.300 -0.169 0.000 1.425 12 I CB 0.429 38.286 38.000 -0.238 0.000 1.079 12 I HN -0.032 7.983 8.210 -0.146 0.107 0.425 13 R N -0.828 119.578 120.500 -0.156 0.000 2.081 13 R HA -0.406 3.844 4.340 -0.150 0.000 0.235 13 R C 2.295 178.603 176.300 0.014 0.000 1.131 13 R CA 4.136 60.175 56.100 -0.101 0.000 0.960 13 R CB -0.551 29.694 30.300 -0.091 0.000 0.856 13 R HN 0.158 8.340 8.270 -0.147 0.000 0.436 14 S N -0.725 114.984 115.700 0.015 0.000 2.368 14 S HA -0.257 4.247 4.470 0.058 0.000 0.225 14 S C 1.674 176.346 174.600 0.120 0.000 1.030 14 S CA 2.864 61.097 58.200 0.056 0.000 0.999 14 S CB -0.153 63.068 63.200 0.034 0.000 0.844 14 S HN -0.280 8.023 8.310 -0.012 0.000 0.459 15 A N 1.265 124.161 122.820 0.127 0.000 1.933 15 A HA -0.141 4.449 4.320 0.218 -0.138 0.218 15 A C 2.202 180.013 177.584 0.379 0.000 1.175 15 A CA 2.559 54.722 52.037 0.209 0.000 0.628 15 A CB -0.379 18.638 19.000 0.029 0.000 0.814 15 A HN -0.329 7.863 8.150 0.071 0.000 0.444 16 Y N -3.760 116.616 120.300 0.126 0.000 2.352 16 Y HA -0.270 4.399 4.550 0.198 0.000 0.292 16 Y C 2.858 178.822 175.900 0.107 0.000 1.136 16 Y CA 1.833 60.012 58.100 0.133 0.000 1.227 16 Y CB -0.684 37.806 38.460 0.051 0.000 0.991 16 Y HN -0.119 8.446 8.280 0.476 0.000 0.545 17 K N -1.826 118.711 120.400 0.229 0.000 2.365 17 K HA -0.175 4.222 4.320 0.128 0.000 0.199 17 K C 0.440 177.135 176.600 0.158 0.000 1.045 17 K CA 2.017 58.394 56.287 0.149 0.000 0.962 17 K CB -0.269 32.294 32.500 0.104 0.000 0.759 17 K HN -0.520 7.749 8.250 0.220 0.113 0.469 18 K N -2.891 117.642 120.400 0.222 0.000 2.372 18 K HA 0.150 4.589 4.320 0.198 0.000 0.200 18 K C -0.460 176.383 176.600 0.406 0.000 1.022 18 K CA -0.854 55.596 56.287 0.271 0.000 1.125 18 K CB 0.371 33.047 32.500 0.294 0.000 0.855 18 K HN -0.623 7.612 8.250 0.254 0.167 0.524 19 G N -2.798 106.188 108.800 0.310 0.000 2.163 19 G HA2 -0.290 3.900 3.960 0.384 0.000 0.213 19 G HA3 -0.290 3.943 3.960 0.179 -0.167 0.213 19 G C 0.166 175.110 174.900 0.072 0.000 0.991 19 G CA -0.001 45.263 45.100 0.274 0.000 0.653 19 G HN -0.729 7.706 8.290 0.241 0.000 0.518 20 F N 1.803 121.593 119.950 -0.267 0.000 2.171 20 F HA -0.328 3.386 4.527 -1.357 0.000 0.300 20 F C -0.160 175.413 175.800 -0.377 0.000 1.090 20 F CA 4.019 61.617 58.000 -0.670 0.000 1.293 20 F CB 0.311 39.071 39.000 -0.400 0.000 1.013 20 F HN -0.447 7.967 8.300 0.190 0.000 0.486 21 Y N -0.677 119.237 120.300 -0.644 0.000 2.128 21 Y HA -0.526 3.497 4.550 -0.879 0.000 0.284 21 Y C 1.789 177.502 175.900 -0.311 0.000 1.154 21 Y CA 4.376 62.002 58.100 -0.790 0.000 1.149 21 Y CB -0.156 37.687 38.460 -1.028 0.000 0.976 21 Y HN 0.160 8.230 8.280 -0.351 0.000 0.505 22 E N -1.316 118.758 120.200 -0.211 0.000 2.106 22 E HA -0.405 3.826 4.350 -0.198 0.000 0.192 22 E C 1.970 178.418 176.600 -0.253 0.000 0.984 22 E CA 3.547 59.844 56.400 -0.170 0.000 0.806 22 E CB -1.007 28.690 29.700 -0.006 0.000 0.750 22 E HN -0.152 8.151 8.360 -0.095 0.000 0.458 23 Y N 1.425 121.484 120.300 -0.403 0.000 2.224 23 Y HA -0.356 4.022 4.550 -0.288 0.000 0.289 23 Y C 1.597 177.160 175.900 -0.562 0.000 1.146 23 Y CA 3.378 61.212 58.100 -0.444 0.000 1.182 23 Y CB -0.159 37.974 38.460 -0.544 0.000 0.983 23 Y HN -0.658 7.516 8.280 -0.177 0.000 0.524 24 I N -2.261 117.837 120.570 -0.788 0.000 2.151 24 I HA -0.604 3.110 4.170 -0.761 0.000 0.243 24 I C 1.218 176.933 176.117 -0.670 0.000 1.080 24 I CA 4.088 64.955 61.300 -0.722 0.000 1.339 24 I CB -0.243 37.450 38.000 -0.512 0.000 1.039 24 I HN -0.402 7.345 8.210 -0.771 0.000 0.409 25 A N -1.989 120.346 122.820 -0.809 0.000 1.872 25 A HA -0.308 3.575 4.320 -0.727 0.000 0.214 25 A C 2.152 179.425 177.584 -0.518 0.000 1.187 25 A CA 2.495 54.043 52.037 -0.815 0.000 0.614 25 A CB -0.759 17.512 19.000 -1.215 0.000 0.826 25 A HN -0.366 7.275 8.150 -0.848 0.000 0.442 26 A N -1.607 120.944 122.820 -0.449 0.000 1.972 26 A HA -0.237 3.942 4.320 -0.235 0.000 0.219 26 A C 1.844 179.238 177.584 -0.316 0.000 1.169 26 A CA 2.434 54.297 52.037 -0.290 0.000 0.635 26 A CB -0.501 18.404 19.000 -0.159 0.000 0.810 26 A HN -0.105 7.768 8.150 -0.462 0.000 0.446 27 S N -4.105 111.264 115.700 -0.552 0.000 2.447 27 S HA -0.260 3.959 4.470 -0.419 0.000 0.233 27 S C 1.453 175.875 174.600 -0.295 0.000 1.006 27 S CA 1.099 58.968 58.200 -0.552 0.000 0.957 27 S CB 0.594 63.174 63.200 -1.033 0.000 0.773 27 S HN -0.344 7.509 8.310 -0.723 0.024 0.507 28 G N 0.615 109.248 108.800 -0.278 0.000 2.155 28 G HA2 -0.480 3.405 3.960 -0.124 0.000 0.257 28 G HA3 -0.480 3.375 3.960 -0.175 0.000 0.257 28 G C -0.696 174.121 174.900 -0.139 0.000 0.983 28 G CA 0.054 45.050 45.100 -0.173 0.000 0.676 28 G HN -0.489 7.567 8.290 -0.330 0.036 0.528 29 A N -0.240 122.470 122.820 -0.183 0.000 2.540 29 A HA -0.203 4.084 4.320 -0.055 0.000 0.239 29 A C -0.963 176.583 177.584 -0.063 0.000 1.061 29 A CA 0.814 52.790 52.037 -0.102 0.000 0.758 29 A CB 0.200 19.131 19.000 -0.115 0.000 0.991 29 A HN -0.669 7.276 8.150 -0.270 0.043 0.502 30 D N 1.679 122.068 120.400 -0.019 0.000 2.183 30 D HA 0.056 4.681 4.640 -0.024 0.000 0.205 30 D C -0.008 176.292 176.300 0.000 0.000 0.962 30 D CA 3.638 57.627 54.000 -0.019 0.000 0.849 30 D CB 1.573 42.357 40.800 -0.027 0.000 0.978 30 D HN -0.255 8.114 8.370 -0.001 0.000 0.488 31 I N -3.226 117.362 120.570 0.031 0.000 2.569 31 I HA 0.655 5.099 4.170 0.121 -0.201 0.290 31 I C -2.194 174.005 176.117 0.137 0.000 1.088 31 I CA -0.868 60.483 61.300 0.086 0.000 1.047 31 I CB 4.315 42.341 38.000 0.042 0.000 1.237 31 I HN -0.643 7.589 8.210 0.037 0.000 0.421 32 V N 5.611 125.654 119.914 0.215 0.000 2.443 32 V HA 0.562 4.998 4.120 0.226 -0.180 0.293 32 V C -1.416 174.827 176.094 0.248 0.000 1.021 32 V CA -2.067 60.392 62.300 0.266 0.000 0.848 32 V CB 1.971 34.001 31.823 0.344 0.000 0.998 32 V HN 0.476 8.823 8.190 0.262 0.000 0.424 33 C N 8.672 128.086 119.300 0.192 0.000 2.273 33 C HA 0.564 5.216 4.460 0.047 -0.164 0.328 33 C C -0.956 174.102 174.990 0.114 0.000 1.275 33 C CA -0.803 58.279 59.018 0.107 0.000 1.704 33 C CB 0.298 28.097 27.740 0.097 0.000 2.326 33 C HN 0.807 9.158 8.230 0.201 0.000 0.517 34 V N 4.721 124.659 119.914 0.040 0.000 2.581 34 V HA 0.900 5.277 4.120 0.034 -0.236 0.303 34 V C -1.026 175.007 176.094 -0.101 0.000 1.041 34 V CA -1.942 60.366 62.300 0.015 0.000 0.907 34 V CB 3.218 35.101 31.823 0.100 0.000 0.994 34 V HN 0.491 8.662 8.190 -0.032 0.000 0.442 35 Q N 3.585 123.263 119.800 -0.202 0.000 2.413 35 Q HA 0.509 4.667 4.340 -0.303 0.000 0.276 35 Q C -0.926 174.765 176.000 -0.515 0.000 1.099 35 Q CA -1.924 53.659 55.803 -0.367 0.000 0.814 35 Q CB 3.869 32.340 28.738 -0.445 0.000 1.379 35 Q HN 0.299 8.443 8.270 -0.210 0.000 0.436 36 E N -1.476 118.317 120.200 -0.679 0.000 2.260 36 E HA -0.405 3.727 4.350 -0.561 -0.119 0.204 36 E C -0.042 176.375 176.600 -0.305 0.000 1.319 36 E CA 0.989 57.045 56.400 -0.573 0.000 0.679 36 E CB -1.687 27.636 29.700 -0.628 0.000 1.158 36 E HN 0.152 8.080 8.360 -0.719 0.000 0.376 37 L N -0.847 120.238 121.223 -0.229 0.000 2.083 37 L HA -0.331 3.913 4.340 -0.160 0.000 0.209 37 L C 1.021 177.808 176.870 -0.138 0.000 1.083 37 L CA 2.707 57.450 54.840 -0.162 0.000 0.752 37 L CB 0.036 42.017 42.059 -0.131 0.000 0.899 37 L HN -0.417 7.676 8.230 -0.227 0.000 0.433 38 K N -6.478 113.850 120.400 -0.120 0.000 3.077 38 K HA -0.482 3.838 4.320 -0.026 -0.016 0.264 38 K C -1.968 174.603 176.600 -0.049 0.000 1.008 38 K CA 0.737 56.990 56.287 -0.057 0.000 0.740 38 K CB -2.407 30.068 32.500 -0.042 0.000 1.273 38 K HN -0.047 8.078 8.250 -0.143 0.040 0.477 39 A N -5.218 117.566 122.820 -0.061 0.000 2.566 39 A HA 0.435 4.721 4.320 -0.056 0.000 0.297 39 A C -2.220 175.328 177.584 -0.059 0.000 1.059 39 A CA -0.500 51.492 52.037 -0.075 0.000 0.691 39 A CB 3.382 22.302 19.000 -0.134 0.000 1.282 39 A HN -0.413 7.699 8.150 -0.063 0.000 0.401 40 Q N 0.957 120.733 119.800 -0.040 0.000 2.169 40 Q HA 0.204 4.553 4.340 0.015 0.000 0.234 40 Q C 0.885 176.848 176.000 -0.062 0.000 0.980 40 Q CA -1.438 54.358 55.803 -0.012 0.000 0.941 40 Q CB 1.654 30.406 28.738 0.024 0.000 1.199 40 Q HN 0.020 8.586 8.270 -0.036 -0.318 0.496 41 E N 2.150 122.348 120.200 -0.004 0.000 2.118 41 E HA -0.458 3.759 4.350 -0.221 0.000 0.195 41 E C 1.625 178.186 176.600 -0.064 0.000 0.992 41 E CA 3.580 59.955 56.400 -0.042 0.000 0.804 41 E CB -0.195 29.624 29.700 0.199 0.000 0.741 41 E HN 0.564 8.966 8.360 0.071 0.000 0.458 42 A N -3.850 118.959 122.820 -0.018 0.000 2.070 42 A HA -0.210 4.100 4.320 -0.016 0.000 0.220 42 A C 0.663 178.212 177.584 -0.057 0.000 1.159 42 A CA 2.082 54.105 52.037 -0.024 0.000 0.656 42 A CB -0.692 18.306 19.000 -0.003 0.000 0.800 42 A HN 0.269 8.417 8.150 0.007 0.006 0.453 43 D N -3.707 116.643 120.400 -0.082 0.000 2.354 43 D HA 0.047 4.638 4.640 -0.081 0.000 0.209 43 D C -0.182 176.027 176.300 -0.151 0.000 1.015 43 D CA 0.781 54.721 54.000 -0.100 0.000 0.867 43 D CB 0.685 41.431 40.800 -0.091 0.000 0.933 43 D HN -0.371 7.800 8.370 -0.084 0.149 0.520 44 L N 0.049 121.150 121.223 -0.204 0.000 2.290 44 L HA -0.025 4.146 4.340 -0.283 0.000 0.284 44 L C -0.415 176.323 176.870 -0.220 0.000 1.078 44 L CA -0.227 54.446 54.840 -0.277 0.000 0.815 44 L CB 0.211 42.004 42.059 -0.445 0.000 1.162 44 L HN -0.704 7.256 8.230 -0.202 0.148 0.435 45 S N 4.129 119.703 115.700 -0.211 0.000 2.608 45 S HA -0.038 4.355 4.470 -0.129 0.000 0.261 45 S C 1.539 176.047 174.600 -0.153 0.000 1.314 45 S CA -0.833 57.271 58.200 -0.160 0.000 0.992 45 S CB 1.731 64.839 63.200 -0.153 0.000 0.935 45 S HN -0.446 7.721 8.310 -0.239 0.000 0.564 46 A N 1.130 123.886 122.820 -0.108 0.000 1.940 46 A HA -0.260 4.023 4.320 -0.062 0.000 0.219 46 A C 1.580 179.116 177.584 -0.079 0.000 1.176 46 A CA 3.022 55.013 52.037 -0.076 0.000 0.631 46 A CB -0.475 18.493 19.000 -0.053 0.000 0.814 46 A HN 0.701 8.793 8.150 -0.096 0.000 0.446 47 D N -3.116 117.215 120.400 -0.115 0.000 2.312 47 D HA -0.111 4.489 4.640 -0.067 0.000 0.211 47 D C 1.038 177.354 176.300 0.027 0.000 0.964 47 D CA 2.463 56.398 54.000 -0.110 0.000 0.877 47 D CB -0.239 40.317 40.800 -0.407 0.000 0.924 47 D HN -0.257 8.018 8.370 -0.139 0.011 0.515 48 M N -4.474 115.063 119.600 -0.104 0.000 2.465 48 M HA -0.004 4.403 4.480 -0.122 0.000 0.249 48 M C 0.043 176.289 176.300 -0.090 0.000 1.130 48 M CA 1.381 56.572 55.300 -0.182 0.000 1.067 48 M CB 0.930 33.291 32.600 -0.399 0.000 1.394 48 M HN -0.588 7.452 8.290 -0.157 0.155 0.483 49 K N -2.819 117.520 120.400 -0.102 0.000 2.214 49 K HA -0.076 4.192 4.320 -0.088 0.000 0.201 49 K C 0.227 176.978 176.600 0.252 0.000 1.049 49 K CA 1.890 58.176 56.287 -0.001 0.000 0.978 49 K CB 1.553 34.011 32.500 -0.070 0.000 0.842 49 K HN -0.557 7.515 8.250 -0.110 0.112 0.474 50 N N -2.767 115.988 118.700 0.093 0.000 2.733 50 N HA 0.671 5.612 4.740 0.128 -0.125 0.271 50 N C -2.789 172.722 175.510 0.000 0.000 1.720 50 N CA -1.796 51.298 53.050 0.072 0.000 0.803 50 N CB 1.830 40.346 38.487 0.049 0.000 1.208 50 N HN -0.280 8.119 8.380 0.031 0.000 0.498 51 P HA -0.100 4.471 4.420 0.127 -0.075 0.267 51 P C -0.208 177.064 177.300 -0.047 0.000 1.209 51 P CA 0.639 63.719 63.100 -0.034 0.000 0.763 51 P CB -0.060 31.541 31.700 -0.165 0.000 0.816 52 H N 0.197 119.283 119.070 0.026 0.000 2.861 52 H HA -0.418 4.126 4.556 -0.020 0.000 0.289 52 H C 0.389 175.691 175.328 -0.043 0.000 1.176 52 H CA 1.557 57.565 56.048 -0.066 0.000 1.146 52 H CB -3.059 26.573 29.762 -0.217 0.000 1.330 52 H HN 0.319 8.473 8.280 -0.210 0.000 0.379 53 G N -3.905 104.917 108.800 0.038 0.000 2.162 53 G HA2 -0.413 3.547 3.960 0.001 0.000 0.260 53 G HA3 -0.413 3.533 3.960 -0.023 0.000 0.260 53 G C -0.387 174.491 174.900 -0.037 0.000 0.976 53 G CA 0.161 45.258 45.100 -0.005 0.000 0.655 53 G HN -0.103 8.176 8.290 0.020 0.023 0.533 54 M N 0.155 119.767 119.600 0.020 0.000 2.245 54 M HA -0.274 4.259 4.480 0.089 0.000 0.330 54 M C 0.154 176.478 176.300 0.041 0.000 1.098 54 M CA 1.589 56.935 55.300 0.076 0.000 1.172 54 M CB 1.016 33.707 32.600 0.152 0.000 1.467 54 M HN -0.570 7.583 8.290 0.040 0.161 0.454 55 H N 0.437 119.632 119.070 0.208 0.000 2.732 55 H HA -0.023 4.625 4.556 0.155 0.000 0.351 55 H C -0.494 175.004 175.328 0.284 0.000 1.090 55 H CA 1.165 57.340 56.048 0.211 0.000 1.431 55 H CB 1.104 31.019 29.762 0.255 0.000 1.447 55 H HN 0.056 8.547 8.280 0.352 0.000 0.582 56 G N 0.693 109.643 108.800 0.250 0.000 2.662 56 G HA2 0.351 4.907 3.960 0.610 0.000 0.302 56 G HA3 0.351 4.773 3.960 0.451 -0.191 0.302 56 G C -1.984 172.779 174.900 -0.229 0.000 1.389 56 G CA -0.082 45.227 45.100 0.347 0.000 0.998 56 G HN 0.180 8.519 8.290 0.083 0.000 0.502 57 H N 1.467 120.618 119.070 0.134 0.000 2.759 57 H HA 0.311 4.544 4.556 -0.538 0.000 0.354 57 H C -1.979 173.334 175.328 -0.025 0.000 1.074 57 H CA -0.897 55.042 56.048 -0.183 0.000 1.226 57 H CB 4.363 34.023 29.762 -0.170 0.000 1.648 57 H HN 0.226 8.615 8.280 0.182 0.000 0.529 58 W N -0.859 120.485 121.300 0.072 0.000 3.083 58 W HA 0.643 5.440 4.660 0.012 -0.130 0.333 58 W C -1.911 174.680 176.519 0.121 0.000 1.217 58 W CA -1.986 55.386 57.345 0.044 0.000 1.170 58 W CB 2.768 32.238 29.460 0.016 0.000 1.437 58 W HN 0.305 8.004 8.180 -0.802 0.000 0.557 59 H N 1.889 121.105 119.070 0.242 0.000 2.906 59 H HA 0.390 5.050 4.556 0.173 0.000 0.324 59 H C -1.264 174.183 175.328 0.199 0.000 0.973 59 H CA -1.258 54.900 56.048 0.183 0.000 1.321 59 H CB 3.015 32.851 29.762 0.124 0.000 1.535 59 H HN 0.373 8.890 8.280 0.397 0.000 0.518 60 C N 4.080 123.616 119.300 0.392 0.000 2.335 60 C HA 0.324 4.841 4.460 0.094 0.000 0.363 60 C C -1.778 173.250 174.990 0.063 0.000 1.198 60 C CA -2.644 56.477 59.018 0.171 0.000 2.279 60 C CB 3.373 31.219 27.740 0.177 0.000 2.334 60 C HN 0.167 8.710 8.230 0.522 0.000 0.559 61 A N 0.155 122.993 122.820 0.030 0.000 2.304 61 A HA -0.037 4.410 4.320 0.005 -0.124 0.271 61 A C -0.508 177.136 177.584 0.100 0.000 1.091 61 A CA -0.572 51.499 52.037 0.058 0.000 0.812 61 A CB 1.214 20.305 19.000 0.152 0.000 1.056 61 A HN 0.248 8.417 8.150 0.031 0.000 0.489 62 E N 1.143 121.403 120.200 0.100 0.000 2.152 62 E HA -0.226 4.171 4.350 0.078 0.000 0.192 62 E C 0.788 177.429 176.600 0.069 0.000 0.983 62 E CA 1.964 58.411 56.400 0.079 0.000 0.818 62 E CB 0.483 30.219 29.700 0.061 0.000 0.758 62 E HN -0.031 8.388 8.360 0.098 0.000 0.467 63 K N -0.987 119.466 120.400 0.088 0.000 2.295 63 K HA -0.072 4.251 4.320 0.004 0.000 0.270 63 K C -0.678 175.971 176.600 0.082 0.000 1.011 63 K CA -0.160 56.151 56.287 0.039 0.000 0.953 63 K CB 0.645 33.094 32.500 -0.084 0.000 0.956 63 K HN -0.120 8.208 8.250 0.130 0.000 0.477 64 R N 1.468 121.990 120.500 0.038 0.000 2.543 64 R HA -0.146 4.222 4.340 0.047 0.000 0.277 64 R C 1.042 177.384 176.300 0.069 0.000 1.074 64 R CA 1.325 57.451 56.100 0.043 0.000 1.076 64 R CB 0.050 30.358 30.300 0.015 0.000 0.993 64 R HN 0.269 8.545 8.270 0.010 0.000 0.459 65 G N 1.741 110.581 108.800 0.066 0.000 2.273 65 G HA2 -0.364 3.628 3.960 0.052 0.000 0.280 65 G HA3 -0.364 3.742 3.960 0.036 -0.124 0.280 65 G C -1.541 173.447 174.900 0.147 0.000 1.047 65 G CA 0.281 45.421 45.100 0.067 0.000 0.869 65 G HN 0.543 8.862 8.290 0.048 0.000 0.502 66 Y N -0.445 119.846 120.300 -0.016 0.000 2.421 66 Y HA 0.149 4.702 4.550 0.004 0.000 0.339 66 Y C -1.834 174.070 175.900 0.007 0.000 0.996 66 Y CA -2.195 55.904 58.100 -0.001 0.000 1.046 66 Y CB 2.030 40.490 38.460 0.001 0.000 1.226 66 Y HN -0.717 7.665 8.280 0.170 0.000 0.445 67 S N 4.066 119.516 115.700 -0.417 0.000 3.236 67 S HA -0.521 3.795 4.470 -0.255 0.000 0.629 67 S C -0.998 173.467 174.600 -0.225 0.000 2.873 67 S CA 0.849 58.807 58.200 -0.404 0.000 3.603 67 S CB 0.369 63.093 63.200 -0.794 0.000 0.287 67 S HN 0.770 8.898 8.310 -0.304 0.000 1.458 68 G N -2.303 106.406 108.800 -0.152 0.000 2.785 68 G HA2 -0.310 3.609 3.960 -0.069 0.000 0.686 68 G HA3 -0.310 3.899 3.960 -0.044 -0.276 0.686 68 G C -2.857 171.989 174.900 -0.090 0.000 1.155 68 G CA -0.386 44.666 45.100 -0.080 0.000 0.760 68 G HN -0.542 7.665 8.290 -0.138 0.000 0.624 69 V N -2.478 117.433 119.914 -0.005 0.000 3.130 69 V HA 0.984 5.181 4.120 -0.086 -0.128 0.310 69 V C -2.342 173.776 176.094 0.040 0.000 1.158 69 V CA -3.523 58.762 62.300 -0.025 0.000 1.029 69 V CB 3.748 35.556 31.823 -0.025 0.000 1.057 69 V HN -0.203 8.023 8.190 0.060 0.000 0.436 70 A N -0.838 121.954 122.820 -0.048 0.000 2.587 70 A HA 0.878 5.368 4.320 0.025 -0.155 0.293 70 A C -2.525 174.921 177.584 -0.230 0.000 1.087 70 A CA -1.188 50.784 52.037 -0.108 0.000 0.692 70 A CB 3.929 22.783 19.000 -0.244 0.000 1.291 70 A HN 0.140 8.238 8.150 -0.087 0.000 0.407 71 V N 0.273 120.067 119.914 -0.200 0.000 2.444 71 V HA 0.510 4.724 4.120 -0.097 -0.151 0.294 71 V C -1.570 174.483 176.094 -0.068 0.000 1.022 71 V CA -0.980 61.261 62.300 -0.098 0.000 0.850 71 V CB 2.712 34.570 31.823 0.059 0.000 0.992 71 V HN 0.367 8.494 8.190 -0.105 0.000 0.426 72 Y N 7.033 127.485 120.300 0.253 0.000 2.377 72 Y HA 0.843 5.770 4.550 0.278 -0.210 0.339 72 Y C -0.459 175.584 175.900 0.237 0.000 1.011 72 Y CA -2.447 55.804 58.100 0.252 0.000 1.093 72 Y CB 2.627 41.215 38.460 0.214 0.000 1.201 72 Y HN 0.820 9.174 8.280 0.124 0.000 0.455 73 S N 0.096 116.059 115.700 0.438 0.000 2.536 73 S HA 0.769 5.555 4.470 0.224 -0.182 0.271 73 S C 0.371 175.157 174.600 0.309 0.000 1.134 73 S CA -1.911 56.483 58.200 0.323 0.000 0.897 73 S CB 3.484 66.931 63.200 0.412 0.000 1.094 73 S HN 0.594 9.193 8.310 0.483 0.000 0.473 74 K N 2.072 122.578 120.400 0.177 0.000 2.057 74 K HA -0.266 4.163 4.320 0.181 0.000 0.207 74 K C 0.096 176.861 176.600 0.276 0.000 1.049 74 K CA 3.638 60.030 56.287 0.174 0.000 0.931 74 K CB 0.258 32.800 32.500 0.069 0.000 0.714 74 K HN -0.017 8.295 8.250 0.104 0.000 0.440 75 R N -3.342 117.278 120.500 0.200 0.000 2.532 75 R HA 0.070 4.519 4.340 0.181 0.000 0.272 75 R C -1.550 174.833 176.300 0.140 0.000 1.032 75 R CA -1.505 54.702 56.100 0.179 0.000 1.089 75 R CB 0.928 31.287 30.300 0.098 0.000 1.098 75 R HN -0.345 7.993 8.270 0.114 0.000 0.526 76 K N 1.693 121.987 120.400 -0.177 0.000 2.312 76 K HA 0.090 3.750 4.320 -1.100 0.000 0.287 76 K C -1.283 175.235 176.600 -0.137 0.000 1.062 76 K CA -2.315 53.629 56.287 -0.572 0.000 0.934 76 K CB 0.495 32.675 32.500 -0.533 0.000 1.027 76 K HN 0.104 8.305 8.250 -0.082 0.000 0.478 77 P HA 0.027 4.003 4.420 -0.876 -0.082 0.271 77 P C -0.873 176.217 177.300 -0.350 0.000 1.218 77 P CA -0.326 62.413 63.100 -0.602 0.000 0.780 77 P CB 0.555 31.757 31.700 -0.830 0.000 0.901 78 D N -0.032 120.181 120.400 -0.312 0.000 2.354 78 D HA -0.045 4.506 4.640 -0.149 0.000 0.209 78 D C 0.169 176.354 176.300 -0.191 0.000 1.015 78 D CA 0.404 54.294 54.000 -0.183 0.000 0.867 78 D CB 0.843 41.581 40.800 -0.104 0.000 0.933 78 D HN 0.021 8.173 8.370 -0.363 0.000 0.520 79 N N -1.662 116.878 118.700 -0.267 0.000 2.367 79 N HA 0.197 4.816 4.740 -0.202 0.000 0.278 79 N C -2.729 172.598 175.510 -0.305 0.000 1.117 79 N CA 0.116 53.028 53.050 -0.229 0.000 0.867 79 N CB 4.259 42.655 38.487 -0.151 0.000 1.649 79 N HN -0.746 7.423 8.380 -0.351 0.000 0.479 80 V N 1.732 121.473 119.914 -0.287 0.000 2.638 80 V HA 0.606 4.712 4.120 -0.329 -0.184 0.306 80 V C -0.974 175.010 176.094 -0.183 0.000 1.052 80 V CA -1.597 60.507 62.300 -0.327 0.000 0.885 80 V CB 2.579 34.065 31.823 -0.561 0.000 0.999 80 V HN 0.259 8.307 8.190 -0.237 0.000 0.424 81 Q N 7.207 126.943 119.800 -0.106 0.000 2.333 81 Q HA 0.275 4.594 4.340 -0.035 0.000 0.265 81 Q C -1.841 174.171 176.000 0.019 0.000 0.989 81 Q CA -1.604 54.195 55.803 -0.007 0.000 0.842 81 Q CB 2.878 31.682 28.738 0.110 0.000 1.262 81 Q HN 0.463 8.669 8.270 -0.106 0.000 0.451 82 I N 6.190 126.734 120.570 -0.043 0.000 2.307 82 I HA 0.132 4.263 4.170 -0.064 0.000 0.289 82 I C 0.285 176.343 176.117 -0.097 0.000 1.021 82 I CA -1.541 59.685 61.300 -0.123 0.000 1.224 82 I CB -1.437 36.392 38.000 -0.285 0.000 1.376 82 I HN 0.463 8.630 8.210 -0.071 0.000 0.470 83 G N 8.456 117.361 108.800 0.176 0.000 2.781 83 G HA2 -0.254 3.827 3.960 0.201 0.000 0.683 83 G HA3 -0.254 4.148 3.960 0.550 -0.111 0.683 83 G C -0.744 174.229 174.900 0.121 0.000 1.390 83 G CA -0.368 44.916 45.100 0.307 0.000 0.850 83 G HN 0.091 8.587 8.290 0.344 0.000 0.557 84 M N 0.685 120.251 119.600 -0.057 0.000 2.428 84 M HA 0.118 4.298 4.480 -0.499 0.000 0.239 84 M C 0.981 177.204 176.300 -0.128 0.000 1.121 84 M CA -0.228 54.880 55.300 -0.320 0.000 1.019 84 M CB 0.925 33.239 32.600 -0.477 0.000 1.485 84 M HN 0.084 8.842 8.290 0.052 -0.437 0.484 85 G N 0.837 109.617 108.800 -0.033 0.000 2.143 85 G HA2 -0.365 3.574 3.960 -0.035 0.000 0.249 85 G HA3 -0.365 3.590 3.960 -0.007 0.000 0.249 85 G C -1.148 173.741 174.900 -0.019 0.000 0.981 85 G CA 0.454 45.541 45.100 -0.022 0.000 0.665 85 G HN 0.149 8.707 8.290 0.008 -0.263 0.528 86 I N 0.764 121.333 120.570 -0.002 0.000 2.359 86 I HA 0.041 4.176 4.170 -0.059 0.000 0.284 86 I C -0.573 175.509 176.117 -0.058 0.000 1.018 86 I CA -1.279 60.000 61.300 -0.034 0.000 1.173 86 I CB 0.619 38.630 38.000 0.019 0.000 1.326 86 I HN -0.849 7.439 8.210 0.020 -0.066 0.462 87 E N 9.239 129.389 120.200 -0.083 0.000 2.070 87 E HA -0.416 3.929 4.350 -0.008 0.000 0.197 87 E C 1.351 177.885 176.600 -0.111 0.000 1.004 87 E CA 3.827 60.190 56.400 -0.062 0.000 0.805 87 E CB -0.282 29.381 29.700 -0.060 0.000 0.744 87 E HN 0.784 9.092 8.360 -0.086 0.000 0.451 88 E N -2.401 117.633 120.200 -0.277 0.000 2.097 88 E HA -0.298 3.919 4.350 -0.221 0.000 0.196 88 E C 1.243 177.698 176.600 -0.243 0.000 1.000 88 E CA 2.804 58.982 56.400 -0.370 0.000 0.804 88 E CB -0.256 29.033 29.700 -0.686 0.000 0.740 88 E HN 0.435 8.597 8.360 -0.330 0.000 0.454 89 F N -5.560 114.408 119.950 0.029 0.000 2.374 89 F HA 0.083 4.654 4.527 0.073 0.000 0.291 89 F C 2.063 177.885 175.800 0.035 0.000 1.084 89 F CA 1.042 59.080 58.000 0.063 0.000 1.413 89 F CB 0.322 39.383 39.000 0.102 0.000 1.099 89 F HN -0.824 7.264 8.300 -0.334 0.012 0.534 90 D N 0.625 121.141 120.400 0.192 0.000 2.218 90 D HA -0.185 4.541 4.640 0.144 0.000 0.204 90 D C 2.827 179.148 176.300 0.035 0.000 0.976 90 D CA 3.232 57.330 54.000 0.164 0.000 0.853 90 D CB -0.685 40.282 40.800 0.279 0.000 0.939 90 D HN 0.102 8.567 8.370 0.158 0.000 0.481 91 R N -1.493 119.040 120.500 0.054 0.000 2.241 91 R HA -0.271 4.104 4.340 0.059 0.000 0.224 91 R C 1.082 177.405 176.300 0.038 0.000 1.101 91 R CA 2.874 59.001 56.100 0.046 0.000 0.995 91 R CB -0.288 30.037 30.300 0.042 0.000 0.870 91 R HN -0.267 8.022 8.270 0.056 0.015 0.463 92 E N -3.135 117.082 120.200 0.029 0.000 2.481 92 E HA 0.020 4.459 4.350 0.148 0.000 0.198 92 E C -0.499 176.022 176.600 -0.132 0.000 1.027 92 E CA -0.906 55.519 56.400 0.043 0.000 0.900 92 E CB 0.444 30.208 29.700 0.107 0.000 0.993 92 E HN -0.392 7.827 8.360 0.040 0.166 0.482 93 G N -0.230 108.377 108.800 -0.321 0.000 2.392 93 G HA2 -0.404 3.442 3.960 -0.307 0.000 0.290 93 G HA3 -0.404 2.969 3.960 -0.979 0.000 0.290 93 G C -0.643 174.162 174.900 -0.158 0.000 1.032 93 G CA 0.560 45.391 45.100 -0.449 0.000 1.269 93 G HN -0.371 7.568 8.290 -0.407 0.107 0.511 94 R N -2.640 117.827 120.500 -0.055 0.000 2.509 94 R HA 0.225 4.572 4.340 0.011 0.000 0.297 94 R C -1.973 174.416 176.300 0.147 0.000 0.951 94 R CA -0.421 55.696 56.100 0.028 0.000 1.103 94 R CB 2.393 32.670 30.300 -0.038 0.000 1.283 94 R HN 0.106 8.348 8.270 -0.047 0.000 0.534 95 F N 0.200 120.189 119.950 0.066 0.000 2.630 95 F HA 0.627 5.336 4.527 0.006 -0.178 0.325 95 F C -2.983 172.889 175.800 0.120 0.000 1.184 95 F CA -0.702 57.336 58.000 0.063 0.000 1.011 95 F CB 3.483 42.512 39.000 0.049 0.000 1.268 95 F HN -0.673 7.843 8.300 0.361 0.000 0.480 96 V N 6.748 126.471 119.914 -0.319 0.000 2.709 96 V HA 0.662 4.911 4.120 -0.054 -0.162 0.308 96 V C -2.423 173.386 176.094 -0.475 0.000 1.062 96 V CA -1.664 60.503 62.300 -0.222 0.000 0.901 96 V CB 4.545 36.330 31.823 -0.062 0.000 1.003 96 V HN 0.226 8.131 8.190 -0.475 0.000 0.425 97 R N 5.882 126.213 120.500 -0.283 0.000 2.513 97 R HA 0.612 4.960 4.340 -0.249 -0.157 0.301 97 R C -1.889 174.319 176.300 -0.153 0.000 0.968 97 R CA -1.478 54.497 56.100 -0.209 0.000 0.872 97 R CB 3.156 33.429 30.300 -0.045 0.000 1.177 97 R HN 0.589 8.776 8.270 -0.139 0.000 0.444 98 C N 7.257 126.473 119.300 -0.140 0.000 2.408 98 C HA 0.574 5.082 4.460 -0.369 -0.269 0.321 98 C C -1.947 172.833 174.990 -0.350 0.000 1.245 98 C CA -1.598 57.245 59.018 -0.292 0.000 1.523 98 C CB 3.245 30.844 27.740 -0.235 0.000 2.178 98 C HN 0.766 8.949 8.230 -0.078 0.000 0.488 99 D N 3.761 123.853 120.400 -0.513 0.000 2.192 99 D HA 0.784 5.517 4.640 -0.152 -0.184 0.246 99 D C -1.183 174.736 176.300 -0.636 0.000 1.042 99 D CA -1.241 52.542 54.000 -0.361 0.000 0.847 99 D CB 2.445 43.135 40.800 -0.185 0.000 1.186 99 D HN 0.590 8.643 8.370 -0.528 0.000 0.461 100 F N 0.829 120.782 119.950 0.004 0.000 2.646 100 F HA 0.128 4.650 4.527 -0.009 0.000 0.364 100 F C 0.293 176.109 175.800 0.028 0.000 1.137 100 F CA -1.498 56.508 58.000 0.011 0.000 1.085 100 F CB 0.650 39.669 39.000 0.031 0.000 1.331 100 F HN 0.626 9.048 8.300 0.204 0.000 0.472 101 G N 5.148 114.022 108.800 0.124 0.000 2.629 101 G HA2 -0.494 3.525 3.960 0.098 0.000 0.313 101 G HA3 -0.494 3.498 3.960 0.053 0.000 0.313 101 G C 0.372 175.328 174.900 0.093 0.000 1.217 101 G CA 1.255 46.409 45.100 0.089 0.000 0.994 101 G HN 0.507 9.188 8.290 0.070 -0.350 0.549 102 R N 1.560 122.130 120.500 0.116 0.000 2.310 102 R HA 0.032 4.420 4.340 0.081 0.000 0.202 102 R C -1.209 175.185 176.300 0.156 0.000 0.933 102 R CA -0.515 55.654 56.100 0.115 0.000 1.054 102 R CB -0.519 29.844 30.300 0.104 0.000 0.985 102 R HN 0.236 8.579 8.270 0.121 0.000 0.489 103 L N 1.083 122.439 121.223 0.222 0.000 2.312 103 L HA 0.627 5.229 4.340 0.124 -0.189 0.281 103 L C -1.913 175.083 176.870 0.210 0.000 1.070 103 L CA -0.816 54.152 54.840 0.215 0.000 0.805 103 L CB 2.406 44.655 42.059 0.316 0.000 1.174 103 L HN -0.387 7.938 8.230 0.249 0.054 0.434 104 S N 5.923 121.707 115.700 0.139 0.000 2.521 104 S HA 0.755 5.513 4.470 0.154 -0.196 0.295 104 S C -1.841 172.841 174.600 0.137 0.000 1.098 104 S CA -0.754 57.529 58.200 0.137 0.000 0.999 104 S CB 2.568 65.826 63.200 0.095 0.000 1.034 104 S HN 0.633 8.995 8.310 0.088 0.000 0.483 105 V N 4.455 124.468 119.914 0.166 0.000 2.588 105 V HA 0.731 5.119 4.120 0.103 -0.206 0.304 105 V C -1.647 174.474 176.094 0.046 0.000 1.042 105 V CA -1.250 61.126 62.300 0.126 0.000 0.877 105 V CB 2.875 34.801 31.823 0.173 0.000 0.996 105 V HN 0.548 8.855 8.190 0.195 0.000 0.425 106 I N 6.542 127.112 120.570 -0.001 0.000 2.433 106 I HA 0.662 4.878 4.170 -0.269 -0.207 0.292 106 I C -1.521 174.525 176.117 -0.119 0.000 1.001 106 I CA -1.958 59.241 61.300 -0.168 0.000 1.119 106 I CB 3.494 41.365 38.000 -0.214 0.000 1.289 106 I HN 0.564 8.801 8.210 0.046 0.000 0.438 107 S N 5.837 121.424 115.700 -0.190 0.000 2.429 107 S HA 0.537 5.131 4.470 -0.044 -0.151 0.302 107 S C -1.816 172.676 174.600 -0.180 0.000 1.115 107 S CA -1.407 56.724 58.200 -0.114 0.000 1.095 107 S CB 0.939 64.091 63.200 -0.079 0.000 0.987 107 S HN 0.140 8.291 8.310 -0.265 0.000 0.474 108 L N 8.055 129.195 121.223 -0.138 0.000 2.385 108 L HA 0.768 5.197 4.340 -0.175 -0.194 0.273 108 L C -2.843 173.931 176.870 -0.160 0.000 0.990 108 L CA -1.125 53.590 54.840 -0.208 0.000 0.821 108 L CB 4.352 46.178 42.059 -0.389 0.000 1.279 108 L HN 0.208 8.387 8.230 -0.084 0.000 0.412 109 Y N 7.862 127.952 120.300 -0.349 0.000 2.555 109 Y HA 0.374 4.826 4.550 -0.358 -0.116 0.326 109 Y C -2.091 173.457 175.900 -0.587 0.000 0.984 109 Y CA -3.264 54.602 58.100 -0.390 0.000 1.298 109 Y CB 0.695 38.963 38.460 -0.320 0.000 1.094 109 Y HN 0.224 8.434 8.280 -0.116 0.000 0.500 110 L N 8.263 129.032 121.223 -0.756 0.000 2.380 110 L HA 0.314 3.660 4.340 -1.656 0.000 0.273 110 L C -1.332 174.878 176.870 -1.101 0.000 1.138 110 L CA -2.443 51.714 54.840 -1.139 0.000 0.832 110 L CB 1.747 43.323 42.059 -0.805 0.000 1.124 110 L HN 0.160 8.079 8.230 -0.518 0.000 0.454 111 P HA 0.017 3.943 4.420 -0.824 0.000 0.266 111 P C -1.566 175.383 177.300 -0.585 0.000 1.195 111 P CA -0.004 62.621 63.100 -0.790 0.000 0.768 111 P CB 0.477 31.824 31.700 -0.588 0.000 0.838 112 S N 1.840 117.258 115.700 -0.470 0.000 2.610 112 S HA -0.116 4.141 4.470 -0.356 0.000 0.273 112 S C 0.133 174.572 174.600 -0.269 0.000 1.274 112 S CA -1.054 56.939 58.200 -0.345 0.000 1.023 112 S CB 1.797 64.822 63.200 -0.292 0.000 0.962 112 S HN -0.266 7.759 8.310 -0.476 0.000 0.523 113 G N -1.408 107.245 108.800 -0.245 0.000 3.192 113 G HA2 0.202 4.209 3.960 -0.229 0.000 0.239 113 G HA3 0.202 4.051 3.960 -0.185 0.000 0.239 113 G C 0.647 175.466 174.900 -0.136 0.000 1.084 113 G CA 0.149 45.129 45.100 -0.199 0.000 0.784 113 G HN 0.003 8.141 8.290 -0.253 0.000 0.540 114 S N -0.377 115.243 115.700 -0.133 0.000 2.515 114 S HA -0.122 4.311 4.470 -0.062 0.000 0.231 114 S C 1.367 175.935 174.600 -0.052 0.000 0.987 114 S CA 1.209 59.359 58.200 -0.084 0.000 0.936 114 S CB 0.174 63.315 63.200 -0.099 0.000 0.766 114 S HN -0.168 8.043 8.310 -0.166 0.000 0.528 115 S N 1.222 116.887 115.700 -0.059 0.000 2.371 115 S HA -0.094 4.361 4.470 -0.025 0.000 0.224 115 S C -0.355 174.230 174.600 -0.026 0.000 1.029 115 S CA 0.504 58.683 58.200 -0.036 0.000 0.978 115 S CB 0.366 63.544 63.200 -0.036 0.000 0.833 115 S HN -0.315 7.902 8.310 -0.077 0.047 0.466 116 A N -0.573 122.228 122.820 -0.032 0.000 2.597 116 A HA 0.163 4.476 4.320 -0.012 0.000 0.292 116 A C -1.716 175.856 177.584 -0.021 0.000 1.057 116 A CA -0.139 51.886 52.037 -0.020 0.000 0.674 116 A CB 1.270 20.259 19.000 -0.019 0.000 1.278 116 A HN -0.824 7.299 8.150 -0.045 0.000 0.416 117 E N 0.579 120.776 120.200 -0.005 0.000 2.110 117 E HA -0.393 3.960 4.350 0.005 0.000 0.193 117 E C 1.626 178.229 176.600 0.005 0.000 0.988 117 E CA 3.367 59.771 56.400 0.006 0.000 0.804 117 E CB -0.177 29.536 29.700 0.021 0.000 0.745 117 E HN 0.569 8.929 8.360 -0.000 0.000 0.458 118 E N -2.193 118.007 120.200 0.000 0.000 2.097 118 E HA -0.353 4.005 4.350 0.013 0.000 0.196 118 E C 2.715 179.310 176.600 -0.007 0.000 1.000 118 E CA 3.273 59.675 56.400 0.002 0.000 0.804 118 E CB -0.598 29.100 29.700 -0.004 0.000 0.740 118 E HN 0.454 8.813 8.360 -0.002 0.000 0.454 119 R N -2.369 118.113 120.500 -0.030 0.000 2.119 119 R HA -0.091 4.225 4.340 -0.039 0.000 0.222 119 R C 2.446 178.687 176.300 -0.099 0.000 1.088 119 R CA 1.332 57.398 56.100 -0.056 0.000 0.984 119 R CB -0.631 29.628 30.300 -0.068 0.000 0.884 119 R HN -0.641 7.603 8.270 -0.032 0.008 0.447 120 Q N 0.848 120.587 119.800 -0.102 0.000 2.124 120 Q HA -0.296 3.880 4.340 -0.275 0.000 0.202 120 Q C 2.112 178.029 176.000 -0.139 0.000 0.977 120 Q CA 3.083 58.776 55.803 -0.183 0.000 0.850 120 Q CB -0.799 27.856 28.738 -0.138 0.000 0.901 120 Q HN -0.205 8.020 8.270 -0.074 0.000 0.429 121 Q N -0.315 119.489 119.800 0.007 0.000 2.123 121 Q HA -0.210 4.254 4.340 0.208 0.000 0.199 121 Q C 2.299 178.356 176.000 0.095 0.000 0.966 121 Q CA 2.461 58.327 55.803 0.105 0.000 0.845 121 Q CB -0.602 28.193 28.738 0.094 0.000 0.907 121 Q HN -0.136 8.051 8.270 0.008 0.088 0.439 122 V N 0.690 120.638 119.914 0.056 0.000 2.332 122 V HA -0.519 3.722 4.120 0.202 0.000 0.248 122 V C 1.963 178.091 176.094 0.057 0.000 1.055 122 V CA 4.582 66.953 62.300 0.118 0.000 1.038 122 V CB -0.789 31.094 31.823 0.099 0.000 0.651 122 V HN -0.176 8.031 8.190 0.029 0.000 0.450 123 K N 0.476 120.806 120.400 -0.117 0.000 2.026 123 K HA -0.395 3.743 4.320 -0.303 0.000 0.208 123 K C 2.274 178.758 176.600 -0.193 0.000 1.048 123 K CA 3.770 59.898 56.287 -0.265 0.000 0.929 123 K CB -0.211 32.046 32.500 -0.406 0.000 0.713 123 K HN -0.191 7.973 8.250 -0.142 0.000 0.439 124 Y N -2.153 118.088 120.300 -0.098 0.000 2.224 124 Y HA -0.281 4.159 4.550 -0.183 0.000 0.289 124 Y C 2.403 178.267 175.900 -0.059 0.000 1.146 124 Y CA 2.581 60.617 58.100 -0.107 0.000 1.182 124 Y CB -0.489 37.936 38.460 -0.058 0.000 0.983 124 Y HN -0.353 7.851 8.280 -0.127 0.000 0.524 125 R N -1.230 119.385 120.500 0.192 0.000 2.096 125 R HA -0.412 4.036 4.340 0.180 0.000 0.235 125 R C 2.359 178.758 176.300 0.165 0.000 1.127 125 R CA 3.642 59.874 56.100 0.221 0.000 0.968 125 R CB -0.281 30.212 30.300 0.323 0.000 0.861 125 R HN -0.133 8.257 8.270 0.200 0.000 0.440 126 F N 1.540 121.346 119.950 -0.240 0.000 2.102 126 F HA -0.354 3.469 4.527 -1.173 0.000 0.298 126 F C 1.440 177.005 175.800 -0.392 0.000 1.105 126 F CA 3.617 61.175 58.000 -0.737 0.000 1.239 126 F CB 0.099 38.538 39.000 -0.935 0.000 0.991 126 F HN -0.046 8.299 8.300 0.076 0.000 0.474 127 L N -2.105 119.037 121.223 -0.136 0.000 2.042 127 L HA -0.565 3.488 4.340 -0.478 0.000 0.210 127 L C 2.166 179.062 176.870 0.042 0.000 1.076 127 L CA 3.461 58.050 54.840 -0.418 0.000 0.749 127 L CB -0.937 40.505 42.059 -1.028 0.000 0.893 127 L HN -0.161 7.987 8.230 -0.137 0.000 0.432 128 D N -0.978 119.456 120.400 0.057 0.000 2.183 128 D HA -0.201 4.581 4.640 0.236 0.000 0.203 128 D C 1.732 178.130 176.300 0.163 0.000 0.969 128 D CA 2.945 57.039 54.000 0.158 0.000 0.842 128 D CB -0.380 40.480 40.800 0.100 0.000 0.957 128 D HN -0.481 7.898 8.370 0.015 0.000 0.484 129 A N -1.236 121.631 122.820 0.078 0.000 1.970 129 A HA -0.131 4.241 4.320 0.087 0.000 0.216 129 A C 1.393 178.999 177.584 0.037 0.000 1.170 129 A CA 2.364 54.432 52.037 0.051 0.000 0.645 129 A CB 0.114 19.166 19.000 0.087 0.000 0.816 129 A HN -0.361 7.802 8.150 0.022 0.000 0.447 130 F N -0.178 119.649 119.950 -0.204 0.000 2.335 130 F HA -0.202 4.172 4.527 -0.254 0.000 0.296 130 F C 0.536 176.429 175.800 0.155 0.000 1.091 130 F CA 0.344 58.250 58.000 -0.155 0.000 1.399 130 F CB 0.929 39.754 39.000 -0.291 0.000 1.067 130 F HN -0.214 8.114 8.300 0.046 0.000 0.520 131 Y N 0.995 121.436 120.300 0.236 0.000 2.114 131 Y HA -0.388 4.175 4.550 0.021 0.000 0.282 131 Y C -1.643 174.232 175.900 -0.043 0.000 1.165 131 Y CA 6.395 64.565 58.100 0.116 0.000 1.148 131 Y CB -2.310 36.321 38.460 0.286 0.000 0.972 131 Y HN -0.341 8.325 8.280 0.643 0.000 0.504 132 P HA -0.163 4.279 4.420 0.036 0.000 0.220 132 P C 0.942 178.195 177.300 -0.078 0.000 1.148 132 P CA 2.515 65.636 63.100 0.035 0.000 0.803 132 P CB -0.348 31.402 31.700 0.084 0.000 0.782 133 M N -2.333 117.180 119.600 -0.145 0.000 2.132 133 M HA -0.317 4.100 4.480 -0.106 0.000 0.263 133 M C 2.100 178.256 176.300 -0.240 0.000 1.065 133 M CA 4.212 59.399 55.300 -0.188 0.000 1.122 133 M CB -0.302 32.167 32.600 -0.218 0.000 1.365 133 M HN -0.830 7.271 8.290 -0.139 0.105 0.411 134 L N -1.305 119.643 121.223 -0.458 0.000 2.083 134 L HA -0.456 3.741 4.340 -0.239 0.000 0.209 134 L C 1.995 178.893 176.870 0.047 0.000 1.083 134 L CA 3.223 57.872 54.840 -0.318 0.000 0.752 134 L CB -0.739 40.939 42.059 -0.634 0.000 0.899 134 L HN -0.118 7.743 8.230 -0.615 0.000 0.433 135 E N -0.782 119.328 120.200 -0.151 0.000 2.047 135 E HA -0.466 3.835 4.350 -0.082 0.000 0.191 135 E C 2.119 178.700 176.600 -0.033 0.000 0.987 135 E CA 3.173 59.511 56.400 -0.103 0.000 0.799 135 E CB -0.036 29.573 29.700 -0.153 0.000 0.752 135 E HN -0.332 7.867 8.360 -0.268 0.000 0.449 136 A N -0.972 121.831 122.820 -0.029 0.000 1.902 136 A HA -0.281 4.030 4.320 -0.016 0.000 0.217 136 A C 2.367 179.964 177.584 0.021 0.000 1.181 136 A CA 3.001 55.033 52.037 -0.009 0.000 0.623 136 A CB -0.670 18.323 19.000 -0.011 0.000 0.818 136 A HN -0.273 7.848 8.150 -0.048 0.000 0.443 137 M N -1.892 117.756 119.600 0.079 0.000 2.080 137 M HA -0.393 4.343 4.480 0.112 -0.189 0.260 137 M C 2.919 179.269 176.300 0.083 0.000 1.068 137 M CA 3.482 58.875 55.300 0.156 0.000 1.109 137 M CB 0.134 32.924 32.600 0.315 0.000 1.342 137 M HN -0.036 8.299 8.290 0.074 0.000 0.405 138 K N -0.243 120.175 120.400 0.030 0.000 2.147 138 K HA -0.303 3.702 4.320 -0.525 0.000 0.205 138 K C 2.276 178.756 176.600 -0.200 0.000 1.049 138 K CA 2.735 58.835 56.287 -0.311 0.000 0.936 138 K CB -0.372 31.854 32.500 -0.456 0.000 0.722 138 K HN -0.235 8.105 8.250 0.151 0.000 0.446 139 N N -2.865 115.773 118.700 -0.103 0.000 2.467 139 N HA -0.039 4.642 4.740 -0.098 0.000 0.184 139 N C 1.039 176.514 175.510 -0.057 0.000 1.106 139 N CA 1.307 54.309 53.050 -0.080 0.000 0.892 139 N CB -0.272 38.183 38.487 -0.054 0.000 0.969 139 N HN -0.400 7.826 8.380 -0.068 0.113 0.454 140 E N -1.065 119.109 120.200 -0.043 0.000 2.204 140 E HA -0.197 4.143 4.350 -0.018 0.000 0.195 140 E C 0.975 177.554 176.600 -0.035 0.000 0.990 140 E CA 1.400 57.786 56.400 -0.024 0.000 0.821 140 E CB 0.309 30.009 29.700 0.001 0.000 0.750 140 E HN -0.678 7.507 8.360 -0.038 0.152 0.477 141 G N -2.602 106.160 108.800 -0.062 0.000 2.148 141 G HA2 -0.464 3.468 3.960 -0.047 0.000 0.254 141 G HA3 -0.464 3.447 3.960 -0.083 0.000 0.254 141 G C -0.463 174.412 174.900 -0.042 0.000 0.981 141 G CA 0.299 45.362 45.100 -0.061 0.000 0.670 141 G HN -0.523 7.690 8.290 -0.086 0.025 0.528 142 R N -0.494 119.986 120.500 -0.033 0.000 2.549 142 R HA 0.372 4.718 4.340 0.011 0.000 0.259 142 R C -0.827 175.454 176.300 -0.031 0.000 1.095 142 R CA -0.968 55.129 56.100 -0.005 0.000 1.148 142 R CB 1.172 31.483 30.300 0.019 0.000 1.181 142 R HN -0.367 7.830 8.270 -0.036 0.051 0.571 143 D N 0.584 120.977 120.400 -0.012 0.000 2.313 143 D HA 0.362 4.930 4.640 -0.120 0.000 0.239 143 D C -1.046 175.213 176.300 -0.069 0.000 1.142 143 D CA 0.315 54.260 54.000 -0.092 0.000 0.847 143 D CB 0.531 41.230 40.800 -0.167 0.000 1.082 143 D HN -0.173 8.214 8.370 0.029 0.000 0.480 144 I N 3.281 123.828 120.570 -0.038 0.000 2.533 144 I HA 0.713 5.156 4.170 0.075 -0.229 0.290 144 I C -1.664 174.549 176.117 0.161 0.000 1.056 144 I CA -1.370 59.992 61.300 0.103 0.000 1.057 144 I CB 3.973 42.133 38.000 0.267 0.000 1.240 144 I HN 0.495 8.665 8.210 -0.066 0.000 0.423 145 V N 6.191 126.174 119.914 0.116 0.000 2.378 145 V HA 0.457 4.872 4.120 0.213 -0.167 0.288 145 V C -1.202 175.005 176.094 0.189 0.000 1.016 145 V CA -1.902 60.483 62.300 0.143 0.000 0.840 145 V CB 1.452 33.281 31.823 0.011 0.000 0.994 145 V HN 0.510 8.749 8.190 0.081 0.000 0.431 146 V N 7.632 127.686 119.914 0.234 0.000 2.304 146 V HA 0.156 4.382 4.120 0.176 0.000 0.269 146 V C -0.927 175.385 176.094 0.363 0.000 1.036 146 V CA -1.388 61.055 62.300 0.238 0.000 0.840 146 V CB -1.362 30.586 31.823 0.208 0.000 1.036 146 V HN 0.670 9.019 8.190 0.264 0.000 0.466 147 C N 7.172 126.637 119.300 0.274 0.000 2.401 147 C HA 0.611 5.477 4.460 0.377 -0.179 0.365 147 C C -0.347 174.828 174.990 0.309 0.000 1.250 147 C CA -0.554 58.650 59.018 0.310 0.000 2.131 147 C CB 1.414 29.279 27.740 0.208 0.000 2.445 147 C HN 0.601 8.944 8.230 0.188 0.000 0.550 148 G N 3.089 112.145 108.800 0.426 0.000 2.351 148 G HA2 -0.104 4.137 3.960 0.126 0.000 0.279 148 G HA3 -0.104 3.959 3.960 0.170 0.000 0.279 148 G C -3.288 171.855 174.900 0.405 0.000 1.297 148 G CA 0.089 45.346 45.100 0.261 0.000 0.886 148 G HN 0.270 8.885 8.290 0.542 0.000 0.493 149 D N -0.024 120.501 120.400 0.209 0.000 2.412 149 D HA 0.403 5.336 4.640 0.343 -0.088 0.224 149 D C -0.141 176.288 176.300 0.216 0.000 1.093 149 D CA -2.106 52.042 54.000 0.246 0.000 0.850 149 D CB 0.363 41.211 40.800 0.081 0.000 1.046 149 D HN -0.523 7.901 8.370 0.091 0.000 0.507 150 W N 6.011 127.405 121.300 0.156 0.000 3.197 150 W HA 0.030 4.680 4.660 -0.018 0.000 0.274 150 W C -0.197 176.328 176.519 0.009 0.000 1.297 150 W CA -0.280 57.116 57.345 0.085 0.000 1.662 150 W CB 0.232 29.784 29.460 0.153 0.000 1.106 150 W HN 0.283 8.960 8.180 0.828 0.000 0.663 151 N N -4.716 114.106 118.700 0.204 0.000 2.714 151 N HA -0.411 4.283 4.740 -0.077 0.000 0.250 151 N C -2.124 173.441 175.510 0.091 0.000 1.117 151 N CA 1.351 54.397 53.050 -0.006 0.000 0.719 151 N CB -0.947 37.419 38.487 -0.201 0.000 1.081 151 N HN -0.514 8.153 8.380 0.252 -0.135 0.557 152 I N -4.856 115.901 120.570 0.312 0.000 2.571 152 I HA 0.292 4.839 4.170 0.362 -0.160 0.289 152 I C -1.871 174.573 176.117 0.546 0.000 1.115 152 I CA -1.299 60.238 61.300 0.395 0.000 1.045 152 I CB 3.927 42.152 38.000 0.376 0.000 1.238 152 I HN -0.623 7.813 8.210 0.431 0.033 0.424 153 A N 6.286 129.466 122.820 0.601 0.000 2.309 153 A HA 0.549 5.323 4.320 0.512 -0.147 0.298 153 A C -1.210 176.780 177.584 0.677 0.000 1.165 153 A CA -1.674 50.709 52.037 0.576 0.000 0.821 153 A CB 2.234 21.485 19.000 0.417 0.000 1.102 153 A HN 0.390 8.935 8.150 0.658 0.000 0.500 154 H N 3.377 122.724 119.070 0.461 0.000 2.329 154 H HA -0.182 4.582 4.556 0.347 0.000 0.306 154 H C -0.176 175.369 175.328 0.362 0.000 1.062 154 H CA 1.687 57.960 56.048 0.376 0.000 1.364 154 H CB 1.065 31.019 29.762 0.321 0.000 1.409 154 H HN 0.455 9.201 8.280 0.608 -0.101 0.519 155 Q N -4.629 115.329 119.800 0.264 0.000 2.668 155 Q HA 0.217 4.620 4.340 0.105 0.000 0.298 155 Q C 0.880 176.985 176.000 0.175 0.000 1.071 155 Q CA -1.852 54.011 55.803 0.101 0.000 0.789 155 Q CB 2.591 31.233 28.738 -0.161 0.000 1.497 155 Q HN -0.188 8.582 8.270 0.297 -0.321 0.460 156 N N 1.602 120.285 118.700 -0.028 0.000 2.149 156 N HA -0.251 4.385 4.740 -0.175 0.000 0.188 156 N C 1.904 177.306 175.510 -0.179 0.000 1.019 156 N CA 3.315 56.179 53.050 -0.311 0.000 0.857 156 N CB -0.577 37.263 38.487 -1.079 0.000 0.997 156 N HN 0.611 8.918 8.380 -0.121 0.000 0.426 157 I N -1.913 118.604 120.570 -0.088 0.000 2.530 157 I HA -0.290 3.907 4.170 0.046 0.000 0.257 157 I C -0.127 176.067 176.117 0.129 0.000 1.179 157 I CA 1.932 63.252 61.300 0.032 0.000 1.440 157 I CB -0.085 37.938 38.000 0.039 0.000 1.087 157 I HN -0.147 7.993 8.210 -0.104 0.008 0.440 158 D N -2.730 117.729 120.400 0.099 0.000 2.349 158 D HA -0.046 4.722 4.640 0.212 0.000 0.224 158 D C -0.940 175.384 176.300 0.041 0.000 1.029 158 D CA 1.510 55.598 54.000 0.147 0.000 0.879 158 D CB 0.484 41.389 40.800 0.176 0.000 0.906 158 D HN -0.472 7.773 8.370 0.060 0.162 0.528 159 L N -8.596 112.536 121.223 -0.151 0.000 2.540 159 L HA 0.823 4.835 4.340 -0.782 -0.141 0.256 159 L C -1.334 175.287 176.870 -0.415 0.000 1.001 159 L CA -1.419 53.065 54.840 -0.593 0.000 0.843 159 L CB 3.172 44.531 42.059 -1.167 0.000 1.436 159 L HN -0.883 7.238 8.230 -0.113 0.040 0.410 160 K N 0.022 120.037 120.400 -0.641 0.000 2.025 160 K HA -0.222 4.102 4.320 0.005 0.000 0.207 160 K C 0.804 177.274 176.600 -0.217 0.000 1.049 160 K CA 1.827 57.963 56.287 -0.251 0.000 0.933 160 K CB 0.391 32.742 32.500 -0.248 0.000 0.714 160 K HN -0.009 7.665 8.250 -0.960 0.000 0.438 161 N N -0.853 117.623 118.700 -0.372 0.000 3.194 161 N HA 0.077 4.620 4.740 -0.328 0.000 0.271 161 N C -0.327 174.951 175.510 -0.387 0.000 1.308 161 N CA -2.380 50.467 53.050 -0.338 0.000 1.042 161 N CB -1.309 37.034 38.487 -0.241 0.000 1.310 161 N HN -0.159 7.916 8.380 -0.510 0.000 0.502 162 W N 0.045 121.121 121.300 -0.372 0.000 2.467 162 W HA -0.142 4.098 4.660 -0.700 0.000 0.275 162 W C 0.685 177.171 176.519 -0.055 0.000 1.239 162 W CA 1.704 58.822 57.345 -0.377 0.000 1.266 162 W CB -0.687 28.607 29.460 -0.277 0.000 1.112 162 W HN -0.419 7.636 8.180 -0.208 0.000 0.576 163 K N 0.975 120.935 120.400 -0.733 0.000 2.097 163 K HA -0.241 3.734 4.320 -0.576 0.000 0.206 163 K C 1.937 178.424 176.600 -0.189 0.000 1.049 163 K CA 2.501 58.407 56.287 -0.635 0.000 0.933 163 K CB -0.240 31.750 32.500 -0.850 0.000 0.717 163 K HN -0.122 7.451 8.250 -1.100 0.017 0.442 164 G N -5.279 103.427 108.800 -0.156 0.000 3.126 164 G HA2 0.280 4.199 3.960 -0.068 0.000 0.224 164 G HA3 0.280 4.221 3.960 -0.031 0.000 0.224 164 G C -0.389 174.537 174.900 0.045 0.000 1.142 164 G CA -0.420 44.651 45.100 -0.049 0.000 0.759 164 G HN -0.481 7.888 8.290 -0.218 -0.210 0.550 165 N N -0.461 118.294 118.700 0.091 0.000 2.200 165 N HA 0.318 5.186 4.740 0.215 0.000 0.224 165 N C 0.750 176.486 175.510 0.376 0.000 1.179 165 N CA -0.146 53.027 53.050 0.205 0.000 0.877 165 N CB 1.151 39.666 38.487 0.046 0.000 1.072 165 N HN -0.695 7.733 8.380 0.081 0.000 0.519 166 Q N -0.511 119.496 119.800 0.346 0.000 2.436 166 Q HA -0.183 4.543 4.340 0.370 -0.164 0.209 166 Q C 0.601 176.716 176.000 0.192 0.000 0.965 166 Q CA 2.742 58.727 55.803 0.303 0.000 0.910 166 Q CB 0.159 29.039 28.738 0.236 0.000 0.980 166 Q HN 0.106 8.540 8.270 0.273 0.000 0.491 167 K N -4.668 115.841 120.400 0.180 0.000 2.399 167 K HA 0.114 4.511 4.320 0.128 0.000 0.204 167 K C -1.122 175.571 176.600 0.154 0.000 1.023 167 K CA -0.466 55.906 56.287 0.142 0.000 1.127 167 K CB -0.166 32.399 32.500 0.108 0.000 0.856 167 K HN 0.083 8.409 8.250 0.184 0.034 0.514 168 N N 0.444 119.274 118.700 0.216 0.000 2.361 168 N HA 0.208 5.039 4.740 0.152 0.000 0.302 168 N C -1.193 174.453 175.510 0.228 0.000 1.074 168 N CA -1.149 52.030 53.050 0.214 0.000 0.850 168 N CB 2.233 40.884 38.487 0.274 0.000 1.228 168 N HN -0.513 7.870 8.380 0.266 0.157 0.491 169 S N 2.381 118.147 115.700 0.111 0.000 2.563 169 S HA -0.447 4.042 4.470 0.032 0.000 0.294 169 S C 0.593 175.240 174.600 0.080 0.000 1.279 169 S CA 2.438 60.659 58.200 0.035 0.000 1.069 169 S CB -0.125 63.025 63.200 -0.082 0.000 0.828 169 S HN 0.559 8.913 8.310 0.072 0.000 0.497 170 G N 3.388 112.272 108.800 0.141 0.000 2.259 170 G HA2 -0.255 3.861 3.960 0.260 0.000 0.217 170 G HA3 -0.255 4.051 3.960 0.206 -0.222 0.217 170 G C -1.141 174.154 174.900 0.659 0.000 1.001 170 G CA 0.408 45.695 45.100 0.312 0.000 0.627 170 G HN 0.551 9.363 8.290 0.098 -0.463 0.501 171 F N 1.718 121.887 119.950 0.366 0.000 2.802 171 F HA 0.510 5.204 4.527 0.277 0.000 0.346 171 F C -2.087 173.842 175.800 0.215 0.000 1.229 171 F CA -1.730 56.440 58.000 0.283 0.000 1.142 171 F CB 1.605 40.730 39.000 0.208 0.000 1.146 171 F HN -0.389 8.173 8.300 0.531 0.057 0.510 172 L N 1.197 122.522 121.223 0.171 0.000 2.439 172 L HA 0.323 4.877 4.340 0.091 -0.160 0.269 172 L C -1.118 175.773 176.870 0.036 0.000 1.179 172 L CA -1.412 53.491 54.840 0.105 0.000 0.828 172 L CB -0.748 41.412 42.059 0.168 0.000 1.106 172 L HN -0.685 7.931 8.230 0.216 -0.257 0.467 173 P HA -0.307 4.075 4.420 -0.062 0.000 0.216 173 P C 1.206 178.551 177.300 0.076 0.000 1.153 173 P CA 2.997 66.098 63.100 0.001 0.000 0.858 173 P CB 0.078 31.786 31.700 0.012 0.000 0.789 174 E N -3.378 116.899 120.200 0.127 0.000 2.150 174 E HA -0.311 4.108 4.350 0.115 0.000 0.193 174 E C 2.493 179.260 176.600 0.277 0.000 0.985 174 E CA 3.312 59.806 56.400 0.157 0.000 0.814 174 E CB -0.717 29.023 29.700 0.067 0.000 0.752 174 E HN 0.525 8.968 8.360 0.138 0.000 0.466 175 E N -0.137 120.245 120.200 0.304 0.000 2.047 175 E HA -0.281 4.275 4.350 0.343 0.000 0.191 175 E C 2.442 179.241 176.600 0.331 0.000 0.987 175 E CA 2.923 59.508 56.400 0.309 0.000 0.799 175 E CB -0.272 29.555 29.700 0.211 0.000 0.752 175 E HN -0.699 7.826 8.360 0.276 0.000 0.449 176 R N -1.505 119.138 120.500 0.239 0.000 2.081 176 R HA -0.326 4.221 4.340 0.345 0.000 0.235 176 R C 2.726 179.195 176.300 0.281 0.000 1.131 176 R CA 3.845 60.105 56.100 0.267 0.000 0.960 176 R CB -0.152 30.210 30.300 0.104 0.000 0.856 176 R HN -0.240 8.131 8.270 0.168 0.000 0.436 177 E N 0.013 120.346 120.200 0.221 0.000 2.085 177 E HA -0.232 4.226 4.350 0.180 0.000 0.194 177 E C 2.059 178.785 176.600 0.210 0.000 0.994 177 E CA 3.460 59.974 56.400 0.191 0.000 0.801 177 E CB -0.628 29.154 29.700 0.137 0.000 0.743 177 E HN -0.212 8.262 8.360 0.190 0.000 0.453 178 W N 0.785 122.141 121.300 0.092 0.000 2.355 178 W HA -0.375 4.324 4.660 0.064 0.000 0.309 178 W C 1.686 178.267 176.519 0.103 0.000 1.206 178 W CA 3.955 61.359 57.345 0.098 0.000 1.284 178 W CB 0.273 29.816 29.460 0.137 0.000 1.145 178 W HN -0.608 7.758 8.180 0.454 0.086 0.502 179 I N -2.762 117.960 120.570 0.253 0.000 2.208 179 I HA -0.564 3.487 4.170 -0.199 0.000 0.245 179 I C 2.426 178.328 176.117 -0.358 0.000 1.097 179 I CA 3.241 64.466 61.300 -0.126 0.000 1.363 179 I CB -0.998 36.908 38.000 -0.156 0.000 1.051 179 I HN -0.449 8.016 8.210 0.424 0.000 0.413 180 G N -1.227 107.452 108.800 -0.203 0.000 2.442 180 G HA2 -0.398 3.715 3.960 0.256 0.000 0.219 180 G HA3 -0.398 3.532 3.960 -0.049 0.000 0.219 180 G C 0.990 175.927 174.900 0.062 0.000 1.141 180 G CA 2.145 47.261 45.100 0.027 0.000 0.763 180 G HN 0.042 8.304 8.290 -0.047 0.000 0.554 181 K N 2.025 122.420 120.400 -0.008 0.000 2.057 181 K HA -0.301 4.074 4.320 0.091 0.000 0.206 181 K C 2.131 178.723 176.600 -0.013 0.000 1.050 181 K CA 3.329 59.633 56.287 0.027 0.000 0.935 181 K CB -0.085 32.416 32.500 0.001 0.000 0.715 181 K HN -0.512 7.632 8.250 -0.034 0.087 0.439 182 V N 0.018 119.804 119.914 -0.213 0.000 2.332 182 V HA -0.489 3.462 4.120 -0.282 0.000 0.248 182 V C 1.670 177.689 176.094 -0.126 0.000 1.055 182 V CA 4.904 67.031 62.300 -0.287 0.000 1.038 182 V CB -0.239 31.256 31.823 -0.547 0.000 0.651 182 V HN -0.451 7.531 8.190 -0.347 0.000 0.450 183 I N -0.512 119.926 120.570 -0.219 0.000 2.162 183 I HA -0.401 3.885 4.170 -0.156 -0.209 0.238 183 I C 1.958 177.917 176.117 -0.264 0.000 1.076 183 I CA 3.755 64.888 61.300 -0.278 0.000 1.353 183 I CB 0.284 37.989 38.000 -0.491 0.000 1.063 183 I HN -0.664 7.380 8.210 -0.277 0.000 0.408 184 H N -3.009 116.067 119.070 0.010 0.000 2.497 184 H HA -0.098 4.469 4.556 0.019 0.000 0.282 184 H C 1.803 177.139 175.328 0.014 0.000 1.003 184 H CA 2.987 59.047 56.048 0.021 0.000 1.307 184 H CB 0.303 30.088 29.762 0.037 0.000 1.437 184 H HN 0.023 8.247 8.280 -0.093 0.000 0.544 185 K N -1.394 119.077 120.400 0.117 0.000 2.141 185 K HA 0.017 4.388 4.320 0.085 0.000 0.202 185 K C 1.494 178.115 176.600 0.035 0.000 1.045 185 K CA 1.681 58.022 56.287 0.090 0.000 0.971 185 K CB 0.303 32.884 32.500 0.134 0.000 0.795 185 K HN -0.287 7.912 8.250 0.103 0.112 0.459 186 L N -4.844 116.381 121.223 0.003 0.000 2.341 186 L HA 0.016 4.312 4.340 -0.074 0.000 0.214 186 L C 0.147 176.953 176.870 -0.106 0.000 1.115 186 L CA 0.878 55.686 54.840 -0.054 0.000 0.820 186 L CB 0.766 42.795 42.059 -0.050 0.000 0.944 186 L HN -0.249 7.987 8.230 0.011 0.000 0.452 187 G N -3.934 104.821 108.800 -0.074 0.000 2.132 187 G HA2 -0.339 3.521 3.960 -0.167 0.000 0.234 187 G HA3 -0.339 3.661 3.960 -0.089 -0.093 0.234 187 G C -0.205 174.576 174.900 -0.199 0.000 0.989 187 G CA -0.183 44.837 45.100 -0.134 0.000 0.676 187 G HN -0.752 7.518 8.290 -0.033 0.000 0.522 188 W N -1.036 120.169 121.300 -0.158 0.000 2.170 188 W HA -0.084 4.513 4.660 -0.105 0.000 0.336 188 W C -0.090 176.344 176.519 -0.141 0.000 1.283 188 W CA 0.163 57.423 57.345 -0.141 0.000 1.224 188 W CB 0.160 29.523 29.460 -0.163 0.000 1.132 188 W HN -0.661 7.608 8.180 0.148 0.000 0.571 189 T N 4.449 119.096 114.554 0.155 0.000 2.767 189 T HA 0.166 4.533 4.350 0.028 0.000 0.284 189 T C -1.345 173.422 174.700 0.113 0.000 0.973 189 T CA 0.451 62.599 62.100 0.081 0.000 0.996 189 T CB 1.386 70.291 68.868 0.061 0.000 0.927 189 T HN 0.322 8.686 8.240 0.206 0.000 0.456 190 D N 8.390 128.836 120.400 0.075 0.000 2.374 190 D HA 0.010 4.738 4.640 0.146 0.000 0.240 190 D C -0.102 176.302 176.300 0.173 0.000 1.229 190 D CA -0.379 53.706 54.000 0.143 0.000 0.895 190 D CB 0.265 41.168 40.800 0.172 0.000 1.046 190 D HN 0.635 9.030 8.370 0.042 0.000 0.498 191 M N 8.316 128.039 119.600 0.204 0.000 2.117 191 M HA -0.215 4.325 4.480 0.099 0.000 0.262 191 M C 1.034 177.403 176.300 0.115 0.000 1.065 191 M CA 2.918 58.311 55.300 0.154 0.000 1.114 191 M CB 0.163 32.887 32.600 0.207 0.000 1.361 191 M HN 0.098 8.528 8.290 0.234 0.000 0.408 192 W N -1.695 119.644 121.300 0.065 0.000 2.355 192 W HA -0.420 4.290 4.660 0.084 0.000 0.309 192 W C 1.002 177.561 176.519 0.067 0.000 1.206 192 W CA 3.509 60.902 57.345 0.081 0.000 1.284 192 W CB -0.076 29.445 29.460 0.102 0.000 1.145 192 W HN -0.224 8.211 8.180 0.424 0.000 0.502 193 R N -1.296 119.333 120.500 0.215 0.000 2.115 193 R HA -0.257 4.166 4.340 0.139 0.000 0.230 193 R C 2.360 178.648 176.300 -0.020 0.000 1.111 193 R CA 1.980 58.161 56.100 0.136 0.000 0.976 193 R CB -0.730 29.715 30.300 0.241 0.000 0.870 193 R HN -0.763 7.888 8.270 0.322 -0.188 0.445 194 T N 1.507 116.035 114.554 -0.044 0.000 2.812 194 T HA -0.252 4.065 4.350 -0.055 0.000 0.264 194 T C 1.692 176.251 174.700 -0.235 0.000 1.042 194 T CA 3.940 65.985 62.100 -0.092 0.000 1.140 194 T CB -0.156 68.684 68.868 -0.047 0.000 0.870 194 T HN -0.488 7.739 8.240 -0.001 0.012 0.445 195 L N -1.320 119.646 121.223 -0.428 0.000 2.046 195 L HA -0.289 3.685 4.340 -0.609 0.000 0.208 195 L C 0.542 176.829 176.870 -0.971 0.000 1.077 195 L CA 2.966 57.313 54.840 -0.821 0.000 0.747 195 L CB 0.601 41.895 42.059 -1.274 0.000 0.896 195 L HN -0.372 7.625 8.230 -0.389 0.000 0.432 196 Y N -5.533 114.513 120.300 -0.423 0.000 2.662 196 Y HA 0.373 4.754 4.550 -0.283 0.000 0.358 196 Y C -1.842 173.916 175.900 -0.238 0.000 1.041 196 Y CA -3.568 54.290 58.100 -0.404 0.000 1.184 196 Y CB -1.475 36.556 38.460 -0.715 0.000 1.114 196 Y HN -0.416 7.482 8.280 -0.637 0.000 0.650 197 P HA -0.037 4.549 4.420 0.020 -0.154 0.217 197 P C -0.564 176.768 177.300 0.054 0.000 1.148 197 P CA 1.534 64.643 63.100 0.015 0.000 0.834 197 P CB 0.344 32.047 31.700 0.005 0.000 0.783 198 D N -5.309 115.124 120.400 0.056 0.000 2.395 198 D HA 0.051 4.724 4.640 0.055 0.000 0.213 198 D C -0.625 175.721 176.300 0.076 0.000 1.110 198 D CA -0.155 53.879 54.000 0.057 0.000 0.835 198 D CB 0.317 41.138 40.800 0.035 0.000 0.965 198 D HN -0.045 8.326 8.370 0.052 0.029 0.505 199 V N 1.815 121.805 119.914 0.127 0.000 2.347 199 V HA 0.416 4.595 4.120 0.099 0.000 0.280 199 V C -0.881 175.402 176.094 0.315 0.000 1.021 199 V CA -3.400 59.004 62.300 0.174 0.000 0.847 199 V CB 0.472 32.386 31.823 0.151 0.000 0.990 199 V HN -0.710 7.563 8.190 0.138 0.000 0.444 200 P HA -0.191 4.277 4.420 0.081 0.000 0.215 200 P C 0.595 177.897 177.300 0.003 0.000 1.163 200 P CA 2.052 65.140 63.100 -0.020 0.000 0.894 200 P CB 0.326 31.766 31.700 -0.434 0.000 0.791 201 G N -4.875 103.846 108.800 -0.132 0.000 2.225 201 G HA2 -0.274 3.124 3.960 -0.936 0.000 0.264 201 G HA3 -0.274 3.412 3.960 -0.456 0.000 0.264 201 G C -1.140 173.512 174.900 -0.413 0.000 1.060 201 G CA -0.037 44.772 45.100 -0.484 0.000 0.833 201 G HN -0.078 8.123 8.290 -0.148 0.000 0.498 202 Y N -2.724 117.460 120.300 -0.194 0.000 2.702 202 Y HA -0.317 4.059 4.550 -0.289 0.000 0.336 202 Y C 0.014 175.686 175.900 -0.380 0.000 1.235 202 Y CA -1.169 56.751 58.100 -0.300 0.000 1.492 202 Y CB -0.137 38.110 38.460 -0.354 0.000 1.308 202 Y HN -0.506 7.487 8.280 -0.479 0.000 0.589 203 T N -3.048 111.335 114.554 -0.285 0.000 3.058 203 T HA 0.166 4.513 4.350 -0.005 0.000 0.278 203 T C -1.537 173.040 174.700 -0.205 0.000 0.974 203 T CA -0.668 61.344 62.100 -0.146 0.000 0.893 203 T CB 2.189 71.068 68.868 0.018 0.000 1.138 203 T HN 0.377 8.373 8.240 -0.236 0.102 0.529 204 W N 0.939 121.705 121.300 -0.890 0.000 3.138 204 W HA 0.442 4.982 4.660 -0.478 -0.167 0.331 204 W C -3.107 172.917 176.519 -0.825 0.000 1.166 204 W CA -0.182 56.721 57.345 -0.737 0.000 1.212 204 W CB 3.507 32.533 29.460 -0.724 0.000 1.399 204 W HN -0.360 7.362 8.180 -0.764 0.000 0.514 205 W N 4.185 124.850 121.300 -1.060 0.000 3.032 205 W HA 0.512 4.604 4.660 -0.948 0.000 0.335 205 W C -0.666 174.937 176.519 -1.527 0.000 1.154 205 W CA -1.184 55.546 57.345 -1.024 0.000 1.204 205 W CB 3.968 33.249 29.460 -0.299 0.000 1.416 205 W HN -0.101 7.665 8.180 -0.690 0.000 0.521 206 S N -1.364 113.696 115.700 -1.067 0.000 2.447 206 S HA -0.295 3.645 4.470 -0.883 0.000 0.233 206 S C -0.507 173.936 174.600 -0.260 0.000 1.006 206 S CA 1.623 59.401 58.200 -0.704 0.000 0.957 206 S CB 0.603 63.624 63.200 -0.298 0.000 0.773 206 S HN 0.483 8.334 8.310 -0.765 0.000 0.507 207 N N -4.036 114.548 118.700 -0.194 0.000 2.934 207 N HA 0.036 4.709 4.740 -0.112 0.000 0.253 207 N C -1.578 173.852 175.510 -0.132 0.000 1.466 207 N CA -0.614 52.367 53.050 -0.117 0.000 0.858 207 N CB 1.932 40.382 38.487 -0.062 0.000 1.459 207 N HN -0.800 7.453 8.380 -0.179 0.019 0.532 208 R N -3.062 117.347 120.500 -0.152 0.000 2.334 208 R HA 0.116 4.245 4.340 -0.351 0.000 0.220 208 R C -0.219 176.037 176.300 -0.073 0.000 0.917 208 R CA 0.227 56.196 56.100 -0.218 0.000 1.073 208 R CB -0.258 29.883 30.300 -0.266 0.000 1.056 208 R HN 0.276 8.471 8.270 -0.125 0.000 0.506 209 G N 1.821 110.597 108.800 -0.040 0.000 3.286 209 G HA2 0.057 4.004 3.960 -0.022 0.000 0.173 209 G HA3 0.057 4.006 3.960 -0.018 0.000 0.173 209 G C -0.049 174.850 174.900 -0.003 0.000 1.704 209 G CA -0.238 44.851 45.100 -0.018 0.000 1.041 209 G HN -0.165 8.263 8.290 -0.048 -0.167 0.561 210 Q N 0.314 120.108 119.800 -0.009 0.000 2.291 210 Q HA -0.186 4.143 4.340 -0.018 0.000 0.205 210 Q C 2.391 178.392 176.000 0.001 0.000 0.970 210 Q CA 2.439 58.236 55.803 -0.010 0.000 0.876 210 Q CB -0.524 28.208 28.738 -0.010 0.000 0.935 210 Q HN 0.365 8.628 8.270 -0.011 0.000 0.455 211 A N -0.328 122.501 122.820 0.014 0.000 1.930 211 A HA -0.242 4.106 4.320 0.047 0.000 0.217 211 A C 1.520 179.165 177.584 0.103 0.000 1.175 211 A CA 3.015 55.080 52.037 0.046 0.000 0.627 211 A CB -0.830 18.172 19.000 0.003 0.000 0.815 211 A HN -0.444 7.892 8.150 0.004 -0.184 0.443 212 Y N -0.039 120.168 120.300 -0.155 0.000 2.206 212 Y HA -0.325 3.843 4.550 -0.637 0.000 0.292 212 Y C 2.251 177.966 175.900 -0.308 0.000 1.123 212 Y CA 2.365 60.224 58.100 -0.402 0.000 1.142 212 Y CB -0.035 38.145 38.460 -0.465 0.000 1.006 212 Y HN -0.713 7.624 8.280 0.095 0.000 0.518 213 A N -0.644 122.083 122.820 -0.156 0.000 1.940 213 A HA -0.264 3.888 4.320 -0.280 0.000 0.219 213 A C 1.354 178.841 177.584 -0.161 0.000 1.176 213 A CA 2.815 54.737 52.037 -0.192 0.000 0.631 213 A CB -0.427 18.519 19.000 -0.091 0.000 0.814 213 A HN -0.063 8.060 8.150 -0.045 0.000 0.446 214 K N -5.510 114.838 120.400 -0.087 0.000 2.387 214 K HA 0.210 4.502 4.320 -0.047 0.000 0.198 214 K C -0.928 175.680 176.600 0.013 0.000 1.022 214 K CA -2.392 53.873 56.287 -0.037 0.000 1.128 214 K CB -0.506 31.987 32.500 -0.012 0.000 0.853 214 K HN -0.374 7.824 8.250 -0.062 0.015 0.523 215 D N -1.992 118.415 120.400 0.011 0.000 2.708 215 D HA -0.364 4.448 4.640 0.287 0.000 0.236 215 D C -0.747 175.738 176.300 0.309 0.000 1.146 215 D CA 1.044 55.179 54.000 0.226 0.000 0.662 215 D CB -1.118 39.801 40.800 0.198 0.000 1.059 215 D HN -0.342 7.784 8.370 -0.097 0.186 0.428 216 V N -0.336 119.734 119.914 0.259 0.000 2.055 216 V HA -0.078 4.029 4.120 -0.021 0.000 0.248 216 V C -1.047 175.038 176.094 -0.015 0.000 1.476 216 V CA 0.149 62.496 62.300 0.078 0.000 1.417 216 V CB -2.227 29.634 31.823 0.064 0.000 1.465 216 V HN -0.269 8.083 8.190 0.270 0.000 0.502 217 G N 2.544 111.101 108.800 -0.404 0.000 2.471 217 G HA2 0.633 3.885 3.960 -1.179 0.000 0.332 217 G HA3 0.633 4.187 3.960 -0.967 -0.175 0.332 217 G C -2.509 171.822 174.900 -0.947 0.000 1.176 217 G CA -1.527 42.998 45.100 -0.958 0.000 0.949 217 G HN -0.650 7.312 8.290 -0.500 0.028 0.488 218 W N -2.961 117.868 121.300 -0.786 0.000 3.022 218 W HA 0.585 5.128 4.660 -0.439 -0.146 0.335 218 W C -1.110 175.279 176.519 -0.217 0.000 1.133 218 W CA -1.688 55.428 57.345 -0.380 0.000 1.219 218 W CB 4.020 33.452 29.460 -0.047 0.000 1.409 218 W HN 0.314 8.279 8.180 -0.358 0.000 0.507 219 R N 3.645 124.233 120.500 0.147 0.000 2.287 219 R HA 0.295 4.608 4.340 -0.046 0.000 0.327 219 R C -0.479 175.822 176.300 0.002 0.000 1.109 219 R CA -0.283 55.825 56.100 0.013 0.000 1.013 219 R CB -0.048 30.223 30.300 -0.048 0.000 1.126 219 R HN 0.889 9.250 8.270 0.152 0.000 0.503 220 I N -1.954 118.645 120.570 0.047 0.000 4.154 220 I HA 0.584 5.068 4.170 0.258 -0.160 0.334 220 I C -1.631 174.619 176.117 0.220 0.000 1.371 220 I CA -1.202 60.199 61.300 0.169 0.000 1.110 220 I CB 1.619 39.706 38.000 0.145 0.000 1.085 220 I HN -0.286 7.960 8.210 0.060 0.000 0.398 221 D N 1.956 122.390 120.400 0.057 0.000 2.168 221 D HA 0.646 5.718 4.640 0.393 -0.196 0.246 221 D C -1.328 174.945 176.300 -0.045 0.000 1.050 221 D CA 0.023 54.132 54.000 0.181 0.000 0.857 221 D CB 3.028 43.942 40.800 0.189 0.000 1.169 221 D HN -0.772 7.581 8.370 -0.027 0.000 0.453 222 Y N -0.505 119.898 120.300 0.172 0.000 2.581 222 Y HA 0.189 4.780 4.550 0.069 0.000 0.345 222 Y C -1.840 174.162 175.900 0.169 0.000 1.036 222 Y CA -0.823 57.305 58.100 0.047 0.000 1.042 222 Y CB 4.106 42.346 38.460 -0.366 0.000 1.289 222 Y HN 0.246 8.861 8.280 0.559 0.000 0.471 223 Q N 0.822 120.826 119.800 0.341 0.000 2.381 223 Q HA 0.432 5.134 4.340 0.347 -0.153 0.263 223 Q C -1.181 174.981 176.000 0.270 0.000 1.030 223 Q CA -1.171 54.828 55.803 0.327 0.000 0.772 223 Q CB 1.554 30.499 28.738 0.345 0.000 1.232 223 Q HN 0.589 9.052 8.270 0.322 0.000 0.476 224 M N 5.075 124.804 119.600 0.216 0.000 2.144 224 M HA 0.564 5.343 4.480 0.152 -0.208 0.356 224 M C -1.316 175.229 176.300 0.407 0.000 1.217 224 M CA -1.669 53.733 55.300 0.170 0.000 1.087 224 M CB 0.585 33.114 32.600 -0.118 0.000 1.609 224 M HN 0.230 8.675 8.290 0.258 0.000 0.467 225 V N 4.273 124.466 119.914 0.465 0.000 2.823 225 V HA 0.839 5.391 4.120 0.384 -0.202 0.312 225 V C 0.324 176.520 176.094 0.170 0.000 1.072 225 V CA -2.312 60.198 62.300 0.349 0.000 0.937 225 V CB 3.655 35.610 31.823 0.221 0.000 1.013 225 V HN 0.431 8.859 8.190 0.397 0.000 0.430 226 T N 2.045 116.555 114.554 -0.073 0.000 2.856 226 T HA 0.312 4.308 4.350 -0.590 0.000 0.306 226 T C -0.313 174.276 174.700 -0.185 0.000 1.062 226 T CA -1.462 60.431 62.100 -0.344 0.000 1.083 226 T CB -0.957 67.704 68.868 -0.346 0.000 0.984 226 T HN -0.145 8.091 8.240 -0.007 0.000 0.542 227 P HA -0.132 4.231 4.420 -0.095 0.000 0.215 227 P C 1.573 178.834 177.300 -0.065 0.000 1.157 227 P CA 2.342 65.372 63.100 -0.116 0.000 0.863 227 P CB 0.233 31.858 31.700 -0.126 0.000 0.787 228 E N -3.899 116.262 120.200 -0.065 0.000 2.107 228 E HA -0.269 4.075 4.350 -0.011 0.000 0.191 228 E C 1.479 178.078 176.600 -0.002 0.000 0.982 228 E CA 2.594 58.982 56.400 -0.021 0.000 0.809 228 E CB -0.669 29.027 29.700 -0.006 0.000 0.756 228 E HN 0.341 8.649 8.360 -0.086 0.000 0.459 229 L N -1.486 119.705 121.223 -0.052 0.000 2.093 229 L HA -0.202 4.105 4.340 -0.054 0.000 0.208 229 L C 1.696 178.598 176.870 0.054 0.000 1.085 229 L CA 2.409 57.198 54.840 -0.084 0.000 0.755 229 L CB -0.208 41.667 42.059 -0.307 0.000 0.904 229 L HN -0.395 7.784 8.230 -0.086 0.000 0.435 230 A N -0.084 122.766 122.820 0.051 0.000 1.940 230 A HA -0.247 4.188 4.320 0.193 0.000 0.219 230 A C 1.946 179.574 177.584 0.075 0.000 1.176 230 A CA 2.734 54.833 52.037 0.104 0.000 0.631 230 A CB -0.737 18.295 19.000 0.053 0.000 0.814 230 A HN -0.081 8.072 8.150 0.004 0.000 0.446 231 A N -4.900 117.947 122.820 0.044 0.000 2.172 231 A HA -0.187 4.141 4.320 0.013 0.000 0.216 231 A C 0.678 178.294 177.584 0.054 0.000 1.154 231 A CA 1.759 53.815 52.037 0.031 0.000 0.701 231 A CB -0.573 18.439 19.000 0.019 0.000 0.789 231 A HN -0.612 7.556 8.150 0.030 0.000 0.465 232 K N -3.677 116.786 120.400 0.105 0.000 2.367 232 K HA 0.034 4.419 4.320 0.107 0.000 0.194 232 K C -0.523 176.161 176.600 0.141 0.000 1.027 232 K CA -0.298 56.075 56.287 0.143 0.000 1.075 232 K CB 0.779 33.406 32.500 0.212 0.000 0.845 232 K HN -0.486 7.657 8.250 0.124 0.182 0.529 233 A N -0.147 122.732 122.820 0.097 0.000 2.492 233 A HA -0.054 4.246 4.320 -0.271 -0.142 0.254 233 A C 0.436 177.950 177.584 -0.117 0.000 1.091 233 A CA 0.920 52.880 52.037 -0.128 0.000 0.768 233 A CB 0.141 19.021 19.000 -0.200 0.000 1.028 233 A HN -0.757 7.358 8.150 0.120 0.107 0.498 234 V N -1.108 118.732 119.914 -0.124 0.000 3.379 234 V HA 0.259 4.343 4.120 -0.059 0.000 0.249 234 V C -0.234 175.827 176.094 -0.055 0.000 1.184 234 V CA 0.289 62.551 62.300 -0.064 0.000 1.106 234 V CB 1.515 33.331 31.823 -0.011 0.000 0.826 234 V HN 0.242 8.335 8.190 -0.161 0.000 0.465 235 S N -3.494 112.169 115.700 -0.062 0.000 2.615 235 S HA 0.314 4.825 4.470 0.069 0.000 0.268 235 S C -2.097 172.560 174.600 0.096 0.000 1.146 235 S CA -0.393 57.843 58.200 0.060 0.000 0.818 235 S CB 1.804 65.086 63.200 0.137 0.000 1.111 235 S HN -0.857 7.384 8.310 -0.115 0.000 0.465 236 A N -0.284 122.728 122.820 0.319 0.000 2.606 236 A HA 0.790 5.425 4.320 0.286 -0.144 0.293 236 A C -2.005 175.956 177.584 0.628 0.000 1.082 236 A CA -0.239 52.044 52.037 0.410 0.000 0.685 236 A CB 3.232 22.495 19.000 0.439 0.000 1.284 236 A HN 0.077 8.512 8.150 0.474 0.000 0.408 237 H N -3.427 115.964 119.070 0.535 0.000 3.037 237 H HA 0.262 5.217 4.556 0.665 0.000 0.355 237 H C -2.636 172.920 175.328 0.379 0.000 1.263 237 H CA -1.286 55.065 56.048 0.505 0.000 1.129 237 H CB 2.563 32.517 29.762 0.319 0.000 1.861 237 H HN 0.490 8.914 8.280 0.239 0.000 0.546 238 V N 2.405 122.505 119.914 0.309 0.000 2.364 238 V HA 0.232 4.602 4.120 0.140 -0.167 0.272 238 V C -1.114 175.201 176.094 0.368 0.000 1.036 238 V CA -0.435 61.972 62.300 0.178 0.000 0.880 238 V CB 0.216 32.033 31.823 -0.009 0.000 0.991 238 V HN 0.372 8.772 8.190 0.350 0.000 0.460 239 Y N 10.062 130.539 120.300 0.295 0.000 2.436 239 Y HA -0.139 4.666 4.550 0.425 0.000 0.343 239 Y C -1.487 174.506 175.900 0.154 0.000 1.008 239 Y CA 0.723 59.021 58.100 0.329 0.000 1.241 239 Y CB 0.614 39.291 38.460 0.362 0.000 1.153 239 Y HN 0.121 8.680 8.280 0.464 0.000 0.521 240 K N 4.416 124.549 120.400 -0.446 0.000 2.533 240 K HA 0.125 4.252 4.320 -0.322 0.000 0.202 240 K C -1.379 174.892 176.600 -0.549 0.000 1.096 240 K CA -0.225 55.831 56.287 -0.384 0.000 1.056 240 K CB 0.911 33.333 32.500 -0.130 0.000 0.890 240 K HN 0.261 8.238 8.250 -0.456 0.000 0.552 241 D N -0.487 119.344 120.400 -0.949 0.000 2.224 241 D HA -0.116 4.316 4.640 -0.345 0.000 0.205 241 D C -0.290 175.769 176.300 -0.401 0.000 0.965 241 D CA 1.787 55.464 54.000 -0.540 0.000 0.852 241 D CB 0.134 40.721 40.800 -0.354 0.000 0.947 241 D HN 0.005 7.410 8.370 -1.609 0.000 0.494 242 E N -2.539 117.325 120.200 -0.559 0.000 2.392 242 E HA 0.125 4.268 4.350 -0.344 0.000 0.269 242 E C -1.939 174.198 176.600 -0.771 0.000 0.924 242 E CA -1.405 54.698 56.400 -0.495 0.000 0.784 242 E CB 2.553 32.018 29.700 -0.392 0.000 1.292 242 E HN -0.720 7.110 8.360 -0.861 0.013 0.447 243 K N 1.100 121.091 120.400 -0.683 0.000 2.450 243 K HA 0.242 4.210 4.320 -0.585 0.000 0.257 243 K C -0.953 175.377 176.600 -0.450 0.000 0.953 243 K CA -0.542 55.399 56.287 -0.577 0.000 0.844 243 K CB 0.364 32.607 32.500 -0.429 0.000 1.103 243 K HN 0.344 8.283 8.250 -0.519 0.000 0.429 244 F N 3.028 122.983 119.950 0.008 0.000 2.706 244 F HA 0.138 4.708 4.527 0.072 0.000 0.308 244 F C -0.838 174.965 175.800 0.006 0.000 1.095 244 F CA -0.395 57.638 58.000 0.055 0.000 1.244 244 F CB 1.504 40.593 39.000 0.148 0.000 1.063 244 F HN 0.348 8.518 8.300 -0.216 0.000 0.582 245 S N -3.680 112.094 115.700 0.123 0.000 2.643 245 S HA 0.007 4.533 4.470 0.093 0.000 0.266 245 S C -1.018 173.626 174.600 0.073 0.000 1.130 245 S CA -1.349 56.919 58.200 0.114 0.000 0.817 245 S CB 1.325 64.620 63.200 0.158 0.000 1.107 245 S HN -0.816 7.513 8.310 0.030 0.000 0.471 246 D N 1.331 121.815 120.400 0.140 0.000 2.312 246 D HA -0.142 4.468 4.640 -0.049 0.000 0.211 246 D C -0.025 176.390 176.300 0.192 0.000 0.964 246 D CA 2.015 56.066 54.000 0.086 0.000 0.877 246 D CB -0.036 40.820 40.800 0.093 0.000 0.924 246 D HN 0.360 8.842 8.370 0.186 0.000 0.515 247 H N -0.648 118.600 119.070 0.297 0.000 2.496 247 H HA 0.598 5.603 4.556 0.441 -0.184 0.342 247 H C -0.287 175.237 175.328 0.326 0.000 1.170 247 H CA -0.830 55.433 56.048 0.359 0.000 1.274 247 H CB 2.860 32.782 29.762 0.266 0.000 1.538 247 H HN -0.641 7.942 8.280 0.544 0.024 0.542 248 A N 1.298 124.437 122.820 0.532 0.000 2.312 248 A HA 0.331 4.866 4.320 0.359 0.000 0.326 248 A C -2.691 175.119 177.584 0.376 0.000 1.172 248 A CA -2.865 49.427 52.037 0.425 0.000 0.821 248 A CB 0.005 19.288 19.000 0.472 0.000 1.166 248 A HN 0.132 8.613 8.150 0.551 0.000 0.493 249 P HA -0.104 4.688 4.420 0.357 -0.157 0.268 249 P C -1.741 175.736 177.300 0.294 0.000 1.204 249 P CA -0.159 63.177 63.100 0.393 0.000 0.768 249 P CB 0.699 32.721 31.700 0.537 0.000 0.842 250 L N 5.605 126.962 121.223 0.223 0.000 2.265 250 L HA 0.405 4.806 4.340 0.102 0.000 0.289 250 L C -1.745 175.207 176.870 0.138 0.000 1.033 250 L CA -0.770 54.157 54.840 0.145 0.000 0.814 250 L CB 1.967 44.104 42.059 0.130 0.000 1.203 250 L HN 0.289 8.661 8.230 0.236 0.000 0.423 251 V N 8.531 128.457 119.914 0.021 0.000 2.417 251 V HA 0.486 4.792 4.120 0.058 -0.152 0.291 251 V C -1.492 174.620 176.094 0.031 0.000 1.024 251 V CA -1.907 60.368 62.300 -0.042 0.000 0.861 251 V CB 1.537 33.131 31.823 -0.381 0.000 0.985 251 V HN 0.761 8.924 8.190 -0.045 0.000 0.436 252 V N 7.197 127.158 119.914 0.078 0.000 2.709 252 V HA 0.419 4.678 4.120 -0.015 -0.147 0.308 252 V C -1.648 174.378 176.094 -0.114 0.000 1.062 252 V CA -1.442 60.836 62.300 -0.036 0.000 0.901 252 V CB 3.634 35.395 31.823 -0.104 0.000 1.003 252 V HN 0.571 8.831 8.190 0.117 0.000 0.425 253 E N 4.712 124.790 120.200 -0.203 0.000 2.151 253 E HA 0.599 5.130 4.350 0.017 -0.170 0.275 253 E C -1.173 175.265 176.600 -0.270 0.000 0.936 253 E CA -1.639 54.698 56.400 -0.105 0.000 0.777 253 E CB 2.561 32.268 29.700 0.012 0.000 1.108 253 E HN 0.258 8.504 8.360 -0.191 0.000 0.401 254 Y N 3.592 123.938 120.300 0.076 0.000 2.393 254 Y HA 0.183 4.910 4.550 0.063 -0.138 0.341 254 Y C -1.199 174.766 175.900 0.108 0.000 0.988 254 Y CA -1.274 56.873 58.100 0.078 0.000 1.078 254 Y CB 2.798 41.294 38.460 0.060 0.000 1.203 254 Y HN 0.755 9.200 8.280 0.276 0.000 0.453 255 D N 3.526 124.069 120.400 0.239 0.000 2.508 255 D HA 0.005 4.737 4.640 0.152 0.000 0.224 255 D C -1.899 174.553 176.300 0.252 0.000 1.171 255 D CA -0.727 53.383 54.000 0.183 0.000 1.006 255 D CB -0.755 40.115 40.800 0.115 0.000 1.073 255 D HN 0.177 8.571 8.370 0.208 0.101 0.513 256 Y N 3.284 123.636 120.300 0.087 0.000 2.521 256 Y HA 0.045 4.619 4.550 0.041 0.000 0.332 256 Y C -2.933 172.983 175.900 0.026 0.000 1.121 256 Y CA -0.232 57.901 58.100 0.054 0.000 1.037 256 Y CB 3.426 41.917 38.460 0.052 0.000 1.330 256 Y HN -0.834 7.602 8.280 0.261 0.000 0.452 257 A N 5.192 127.677 122.820 -0.559 0.000 2.539 257 A HA 0.373 4.584 4.320 -0.181 0.000 0.296 257 A C -1.889 175.297 177.584 -0.663 0.000 1.073 257 A CA -0.679 51.117 52.037 -0.400 0.000 0.700 257 A CB 2.207 21.091 19.000 -0.193 0.000 1.296 257 A HN 0.008 7.665 8.150 -0.822 0.000 0.405 258 A N -0.890 121.770 122.820 -0.266 0.000 2.251 258 A HA -0.023 4.183 4.320 -0.189 0.000 0.209 258 A C -0.398 177.132 177.584 -0.090 0.000 1.187 258 A CA 0.863 52.826 52.037 -0.124 0.000 0.823 258 A CB 0.263 19.319 19.000 0.092 0.000 0.846 258 A HN 0.378 8.447 8.150 -0.136 0.000 0.486 259 E N 0.000 120.129 120.200 -0.118 0.000 2.725 259 E HA 0.000 4.312 4.350 -0.063 0.000 0.291 259 E CA 0.000 56.355 56.400 -0.074 0.000 0.976 259 E CB 0.000 29.679 29.700 -0.034 0.000 0.812 259 E HN 0.000 8.216 8.360 -0.146 0.056 0.440