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 2kdo_1_A DATA FIRST_RESID 1 DATA SEQUENCE GHMSIFTPTN QIRLTNVAVV RMKRAGKRFE IACYKNKVVG WRSGVEKDLD DATA SEQUENCE EVLQTHSVFV NVSKGQVAKK EDLISAFGTD DQTEICKQIL TKGEVQVSDK DATA SEQUENCE ERHTQLEQMF RDIATIVADK CVNPETKRPY TVILIERAMK DIHYSVKTNK DATA SEQUENCE STKQQALEVI KQLKEKMKIE RAHMRLRFIL PVNEGKKLKE KLKPLIKVIE DATA SEQUENCE SEDYGQQLEI VCLIDPGCFR EIDELIKKET KGKGSLEVLN LKDVEEGDEK DATA SEQUENCE FE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.805 3.960 -0.259 0.000 0.244 1 G C 0.000 174.582 174.900 -0.530 0.000 0.946 1 G CA 0.000 44.923 45.100 -0.295 0.000 0.502 2 H N -4.222 114.871 119.070 0.038 0.000 2.594 2 H HA -0.468 4.130 4.556 0.071 0.000 0.316 2 H C -1.259 174.097 175.328 0.047 0.000 1.107 2 H CA 0.677 56.767 56.048 0.071 0.000 1.133 2 H CB -1.752 28.085 29.762 0.125 0.000 1.459 2 H HN 0.163 8.458 8.280 0.025 0.000 0.411 3 M N -0.852 118.744 119.600 -0.006 0.000 2.199 3 M HA 0.029 4.542 4.480 0.055 0.000 0.191 3 M C -0.400 175.915 176.300 0.025 0.000 1.744 3 M CA 0.361 55.664 55.300 0.004 0.000 1.005 3 M CB 1.215 33.776 32.600 -0.065 0.000 1.478 3 M HN -0.272 7.993 8.290 -0.025 0.010 0.585 4 S N 0.946 116.655 115.700 0.014 0.000 2.525 4 S HA 0.255 4.756 4.470 0.050 0.000 0.290 4 S C 0.576 175.214 174.600 0.062 0.000 1.152 4 S CA -0.711 57.516 58.200 0.045 0.000 1.072 4 S CB 0.792 64.021 63.200 0.049 0.000 1.027 4 S HN -0.368 7.934 8.310 -0.014 0.000 0.500 5 I N 0.933 121.558 120.570 0.092 0.000 2.703 5 I HA 0.143 4.349 4.170 0.060 0.000 0.259 5 I C 0.448 176.631 176.117 0.110 0.000 1.151 5 I CA 0.326 61.680 61.300 0.090 0.000 1.470 5 I CB 0.423 38.478 38.000 0.093 0.000 1.112 5 I HN 0.081 8.351 8.210 0.100 0.000 0.437 6 F N 4.770 124.721 119.950 0.002 0.000 2.490 6 F HA -0.024 4.505 4.527 0.003 0.000 0.357 6 F C -1.363 174.436 175.800 -0.002 0.000 1.166 6 F CA 0.375 58.375 58.000 0.001 0.000 1.116 6 F CB -0.356 38.643 39.000 -0.000 0.000 1.171 6 F HN -0.537 7.931 8.300 0.279 0.000 0.576 7 T N 8.486 122.898 114.554 -0.237 0.000 3.209 7 T HA 0.248 4.550 4.350 -0.081 0.000 0.366 7 T C -2.421 172.134 174.700 -0.242 0.000 1.293 7 T CA -2.712 59.292 62.100 -0.159 0.000 1.417 7 T CB 0.438 69.261 68.868 -0.075 0.000 1.013 7 T HN -0.421 7.616 8.240 -0.338 0.000 0.572 8 P HA 0.117 4.376 4.420 -0.268 0.000 0.279 8 P C -1.224 176.018 177.300 -0.096 0.000 1.239 8 P CA -0.679 62.274 63.100 -0.244 0.000 0.789 8 P CB 0.601 32.148 31.700 -0.254 0.000 0.933 9 T N -0.551 113.964 114.554 -0.065 0.000 2.832 9 T HA -0.012 4.577 4.350 0.019 -0.228 0.296 9 T C -0.875 173.836 174.700 0.018 0.000 0.968 9 T CA -0.509 61.589 62.100 -0.003 0.000 1.107 9 T CB 0.710 69.577 68.868 -0.001 0.000 0.916 9 T HN -0.010 8.179 8.240 -0.086 0.000 0.517 10 N N 4.081 122.814 118.700 0.056 0.000 3.020 10 N HA 0.082 4.839 4.740 0.028 0.000 0.248 10 N C -0.207 175.318 175.510 0.025 0.000 1.480 10 N CA -1.044 52.024 53.050 0.030 0.000 0.874 10 N CB 1.806 40.291 38.487 -0.004 0.000 1.433 10 N HN -0.439 8.176 8.380 0.099 -0.175 0.530 11 Q N -0.157 119.605 119.800 -0.064 0.000 2.008 11 Q HA -0.051 4.165 4.340 -0.208 0.000 0.196 11 Q C 0.278 175.973 176.000 -0.509 0.000 0.973 11 Q CA 2.760 58.419 55.803 -0.239 0.000 0.826 11 Q CB 0.778 29.440 28.738 -0.127 0.000 0.894 11 Q HN 0.375 8.619 8.270 -0.045 0.000 0.439 12 I N -1.569 118.838 120.570 -0.271 0.000 2.502 12 I HA 0.062 4.219 4.170 -0.345 -0.194 0.276 12 I C -1.008 175.028 176.117 -0.135 0.000 1.057 12 I CA -0.394 60.762 61.300 -0.239 0.000 1.163 12 I CB -0.030 37.873 38.000 -0.161 0.000 1.288 12 I HN -0.574 7.535 8.210 -0.168 0.000 0.479 13 R N 4.594 125.024 120.500 -0.118 0.000 2.668 13 R HA 0.421 4.735 4.340 -0.043 0.000 0.272 13 R C -0.395 175.888 176.300 -0.028 0.000 1.019 13 R CA -1.860 54.210 56.100 -0.050 0.000 0.894 13 R CB 4.339 34.626 30.300 -0.021 0.000 1.228 13 R HN 0.672 9.169 8.270 -0.163 -0.325 0.460 14 L N 1.026 122.241 121.223 -0.012 0.000 2.551 14 L HA -0.117 4.218 4.340 -0.008 0.000 0.228 14 L C 0.787 177.660 176.870 0.006 0.000 1.153 14 L CA 2.264 57.101 54.840 -0.004 0.000 0.851 14 L CB -0.356 41.702 42.059 -0.001 0.000 0.959 14 L HN 0.762 8.986 8.230 -0.010 0.000 0.451 15 T N -6.465 108.099 114.554 0.015 0.000 3.081 15 T HA -0.045 4.314 4.350 0.015 0.000 0.255 15 T C 0.017 174.731 174.700 0.023 0.000 1.113 15 T CA 0.855 62.967 62.100 0.020 0.000 1.082 15 T CB -0.473 68.413 68.868 0.031 0.000 0.939 15 T HN -0.064 8.106 8.240 0.014 0.077 0.506 16 N N 2.399 121.127 118.700 0.047 0.000 2.338 16 N HA 0.333 5.120 4.740 0.078 0.000 0.251 16 N C -2.257 173.341 175.510 0.147 0.000 1.199 16 N CA -0.017 53.100 53.050 0.111 0.000 0.879 16 N CB 1.985 40.595 38.487 0.205 0.000 1.159 16 N HN -0.405 7.822 8.380 0.033 0.173 0.514 17 V N -2.528 117.429 119.914 0.072 0.000 2.743 17 V HA 0.720 5.098 4.120 0.116 -0.189 0.301 17 V C -0.856 175.264 176.094 0.043 0.000 1.057 17 V CA -2.449 59.892 62.300 0.068 0.000 1.006 17 V CB 1.124 32.962 31.823 0.025 0.000 1.024 17 V HN -0.992 7.152 8.190 0.039 0.069 0.473 18 A N 5.403 128.253 122.820 0.051 0.000 2.317 18 A HA 0.470 4.793 4.320 0.005 0.000 0.327 18 A C -1.349 176.246 177.584 0.018 0.000 1.178 18 A CA -1.468 50.584 52.037 0.026 0.000 0.817 18 A CB 1.904 20.926 19.000 0.037 0.000 1.189 18 A HN 0.785 8.871 8.150 0.075 0.108 0.489 19 V N 4.335 124.250 119.914 0.001 0.000 2.455 19 V HA -0.035 4.079 4.120 -0.010 0.000 0.273 19 V C -0.905 175.203 176.094 0.022 0.000 1.045 19 V CA 1.070 63.368 62.300 -0.003 0.000 0.976 19 V CB 0.171 31.982 31.823 -0.020 0.000 0.993 19 V HN 0.355 8.539 8.190 -0.009 0.000 0.475 20 V N 6.870 126.806 119.914 0.037 0.000 2.777 20 V HA 0.764 5.199 4.120 0.057 -0.280 0.306 20 V C -2.882 173.257 176.094 0.076 0.000 1.112 20 V CA -2.651 59.685 62.300 0.061 0.000 0.917 20 V CB 3.136 35.006 31.823 0.079 0.000 1.018 20 V HN -0.268 7.940 8.190 0.031 0.000 0.426 21 R N 5.646 126.198 120.500 0.086 0.000 2.668 21 R HA 0.775 5.345 4.340 0.140 -0.146 0.272 21 R C -2.414 173.964 176.300 0.130 0.000 1.019 21 R CA -2.008 54.161 56.100 0.116 0.000 0.894 21 R CB 3.876 34.234 30.300 0.096 0.000 1.228 21 R HN -0.265 8.052 8.270 0.079 0.000 0.460 22 M N 2.211 121.919 119.600 0.181 0.000 2.205 22 M HA 0.282 4.846 4.480 0.140 0.000 0.344 22 M C -1.875 174.549 176.300 0.207 0.000 1.085 22 M CA -0.563 54.847 55.300 0.183 0.000 1.001 22 M CB 3.768 36.481 32.600 0.188 0.000 1.626 22 M HN 0.692 9.019 8.290 0.232 0.103 0.442 23 K N 6.059 126.549 120.400 0.151 0.000 2.264 23 K HA 0.156 4.555 4.320 0.131 0.000 0.277 23 K C -0.487 176.197 176.600 0.141 0.000 1.067 23 K CA -1.071 55.294 56.287 0.130 0.000 0.900 23 K CB -0.103 32.450 32.500 0.088 0.000 1.124 23 K HN 0.359 8.685 8.250 0.127 0.000 0.469 24 R N 3.691 124.289 120.500 0.165 0.000 2.606 24 R HA 0.312 4.739 4.340 0.145 0.000 0.249 24 R C 1.126 177.485 176.300 0.098 0.000 1.127 24 R CA -1.631 54.563 56.100 0.158 0.000 1.133 24 R CB 0.467 30.911 30.300 0.241 0.000 1.243 24 R HN 0.071 8.441 8.270 0.167 0.000 0.558 25 A N 0.532 123.401 122.820 0.082 0.000 1.902 25 A HA -0.108 4.242 4.320 0.050 0.000 0.217 25 A C 0.657 178.268 177.584 0.046 0.000 1.181 25 A CA 2.161 54.231 52.037 0.055 0.000 0.623 25 A CB -0.198 18.830 19.000 0.045 0.000 0.818 25 A HN 0.380 8.584 8.150 0.090 0.000 0.443 26 G N -3.809 105.021 108.800 0.050 0.000 4.803 26 G HA2 0.116 4.090 3.960 0.023 0.000 0.266 26 G HA3 0.116 4.093 3.960 0.027 0.000 0.266 26 G C -1.863 173.049 174.900 0.020 0.000 1.111 26 G CA 0.044 45.163 45.100 0.031 0.000 0.874 26 G HN -0.224 8.106 8.290 0.067 0.000 0.555 27 K N -0.093 120.319 120.400 0.019 0.000 2.685 27 K HA 0.120 4.385 4.320 -0.091 0.000 0.290 27 K C -2.119 174.436 176.600 -0.075 0.000 1.018 27 K CA -0.176 56.075 56.287 -0.060 0.000 0.860 27 K CB 2.256 34.718 32.500 -0.064 0.000 1.498 27 K HN -0.743 7.532 8.250 0.042 0.000 0.390 28 R N -0.757 119.598 120.500 -0.242 0.000 2.750 28 R HA 0.534 4.882 4.340 0.013 0.000 0.281 28 R C -1.244 174.823 176.300 -0.388 0.000 0.972 28 R CA -1.922 54.088 56.100 -0.150 0.000 0.912 28 R CB 2.802 33.064 30.300 -0.062 0.000 1.187 28 R HN 0.352 8.412 8.270 -0.349 0.000 0.464 29 F N 1.498 121.504 119.950 0.092 0.000 2.810 29 F HA 0.377 5.096 4.527 0.105 -0.130 0.373 29 F C -1.459 174.398 175.800 0.095 0.000 1.174 29 F CA -0.422 57.636 58.000 0.098 0.000 1.141 29 F CB 2.051 41.108 39.000 0.095 0.000 1.420 29 F HN 0.220 8.648 8.300 0.215 0.000 0.518 30 E N 3.155 123.499 120.200 0.241 0.000 2.156 30 E HA 0.553 5.111 4.350 0.152 -0.117 0.279 30 E C -0.884 175.842 176.600 0.210 0.000 0.965 30 E CA -0.934 55.574 56.400 0.179 0.000 0.789 30 E CB 2.135 31.895 29.700 0.101 0.000 1.098 30 E HN 0.812 9.197 8.360 0.222 0.108 0.397 31 I N -1.732 118.924 120.570 0.144 0.000 3.457 31 I HA 0.680 4.965 4.170 0.192 0.000 0.307 31 I C -2.384 173.778 176.117 0.075 0.000 1.138 31 I CA -2.639 58.741 61.300 0.133 0.000 0.974 31 I CB 4.761 42.823 38.000 0.103 0.000 1.324 31 I HN 0.731 9.009 8.210 0.114 0.000 0.485 32 A N -1.035 121.824 122.820 0.065 0.000 2.411 32 A HA 0.857 5.403 4.320 0.036 -0.204 0.285 32 A C -1.139 176.473 177.584 0.046 0.000 1.129 32 A CA -1.106 50.956 52.037 0.041 0.000 0.736 32 A CB 1.736 20.750 19.000 0.023 0.000 1.186 32 A HN 0.263 8.457 8.150 0.074 0.000 0.445 33 C N 1.251 120.590 119.300 0.065 0.000 2.710 33 C HA 0.567 5.065 4.460 0.063 0.000 0.367 33 C C -0.806 174.279 174.990 0.157 0.000 1.315 33 C CA -1.576 57.495 59.018 0.089 0.000 1.764 33 C CB 4.506 32.301 27.740 0.092 0.000 2.182 33 C HN -0.083 8.187 8.230 0.066 0.000 0.491 34 Y N 2.229 122.537 120.300 0.014 0.000 2.511 34 Y HA -0.228 4.323 4.550 0.003 0.000 0.332 34 Y C 0.087 175.996 175.900 0.016 0.000 1.177 34 Y CA -0.072 58.035 58.100 0.011 0.000 1.422 34 Y CB 0.576 39.044 38.460 0.013 0.000 1.271 34 Y HN 0.510 8.831 8.280 0.239 0.102 0.550 35 K N 1.975 122.425 120.400 0.084 0.000 2.486 35 K HA -0.207 4.101 4.320 -0.019 0.000 0.194 35 K C 0.572 177.023 176.600 -0.249 0.000 1.033 35 K CA 1.089 57.328 56.287 -0.080 0.000 1.004 35 K CB -0.038 32.434 32.500 -0.046 0.000 0.798 35 K HN -0.396 8.054 8.250 0.333 0.000 0.495 36 N N 0.985 119.349 118.700 -0.560 0.000 2.819 36 N HA -0.120 4.406 4.740 -0.357 0.000 0.284 36 N C -0.664 174.721 175.510 -0.209 0.000 1.196 36 N CA 0.176 52.939 53.050 -0.480 0.000 1.114 36 N CB -1.074 36.947 38.487 -0.776 0.000 1.437 36 N HN -0.250 7.513 8.380 -0.909 0.072 0.518 37 K N 1.993 122.320 120.400 -0.122 0.000 3.653 37 K HA -0.385 3.907 4.320 -0.046 0.000 0.275 37 K C -0.374 176.232 176.600 0.010 0.000 0.962 37 K CA 0.358 56.614 56.287 -0.051 0.000 0.773 37 K CB -1.235 31.236 32.500 -0.047 0.000 1.463 37 K HN -0.062 8.071 8.250 -0.133 0.036 0.450 38 V N 0.252 120.187 119.914 0.036 0.000 2.469 38 V HA -0.328 3.888 4.120 0.161 0.000 0.251 38 V C 0.734 176.961 176.094 0.221 0.000 1.064 38 V CA 2.406 64.787 62.300 0.136 0.000 1.066 38 V CB 0.229 32.129 31.823 0.128 0.000 0.667 38 V HN 0.447 8.639 8.190 0.003 0.000 0.461 39 V N -2.399 117.563 119.914 0.080 0.000 3.630 39 V HA -0.123 3.962 4.120 -0.058 0.000 0.273 39 V C 1.030 177.020 176.094 -0.174 0.000 1.248 39 V CA -0.360 61.904 62.300 -0.059 0.000 1.170 39 V CB -0.985 30.785 31.823 -0.088 0.000 0.899 39 V HN -0.141 8.048 8.190 0.038 0.024 0.457 40 G N 0.876 109.662 108.800 -0.022 0.000 2.432 40 G HA2 -0.179 3.740 3.960 -0.068 0.000 0.219 40 G HA3 -0.179 3.849 3.960 0.027 -0.052 0.219 40 G C 0.561 175.451 174.900 -0.016 0.000 1.135 40 G CA 1.945 47.030 45.100 -0.024 0.000 0.767 40 G HN 0.335 8.445 8.290 0.057 0.215 0.550 41 W N -1.112 120.189 121.300 0.001 0.000 2.392 41 W HA 0.067 5.039 4.660 0.005 -0.309 0.279 41 W C 0.139 176.660 176.519 0.003 0.000 1.225 41 W CA 0.246 57.594 57.345 0.004 0.000 1.233 41 W CB -1.160 28.305 29.460 0.008 0.000 1.122 41 W HN -0.755 7.582 8.180 0.298 0.022 0.561 42 R N -1.491 118.423 120.500 -0.978 0.000 2.313 42 R HA -0.015 3.714 4.340 -1.018 0.000 0.199 42 R C 0.225 176.287 176.300 -0.397 0.000 0.958 42 R CA 0.391 55.914 56.100 -0.962 0.000 1.047 42 R CB -0.315 29.317 30.300 -1.113 0.000 0.955 42 R HN -0.696 6.799 8.270 -1.046 0.148 0.481 43 S N -3.839 111.716 115.700 -0.242 0.000 2.787 43 S HA 0.187 4.581 4.470 -0.125 0.000 0.255 43 S C 0.087 174.653 174.600 -0.057 0.000 1.051 43 S CA -0.582 57.539 58.200 -0.130 0.000 1.124 43 S CB 2.105 65.233 63.200 -0.120 0.000 1.104 43 S HN -0.353 7.624 8.310 -0.231 0.194 0.623 44 G N 1.513 110.300 108.800 -0.022 0.000 2.256 44 G HA2 -0.218 3.926 3.960 0.062 0.000 0.272 44 G HA3 -0.218 3.754 3.960 0.020 0.000 0.272 44 G C -0.108 174.805 174.900 0.022 0.000 1.076 44 G CA 0.900 46.015 45.100 0.025 0.000 0.882 44 G HN -0.436 7.716 8.290 -0.033 0.117 0.497 45 V N -2.462 117.464 119.914 0.020 0.000 3.253 45 V HA 0.223 4.352 4.120 0.015 0.000 0.320 45 V C -0.016 176.100 176.094 0.037 0.000 1.442 45 V CA -0.741 61.568 62.300 0.016 0.000 1.097 45 V CB 0.119 31.937 31.823 -0.009 0.000 1.008 45 V HN 0.120 8.214 8.190 0.020 0.108 0.463 46 E N 1.631 121.874 120.200 0.072 0.000 0.000 46 E HA 0.069 4.465 4.350 0.077 0.000 0.000 46 E C -0.452 176.192 176.600 0.073 0.000 0.000 46 E CA -0.587 55.869 56.400 0.093 0.000 0.000 46 E CB 0.935 30.733 29.700 0.162 0.000 0.000 46 E HN -0.272 8.072 8.360 0.084 0.067 0.000 47 K N -2.292 118.152 120.400 0.073 0.000 2.425 47 K HA 0.178 4.528 4.320 0.051 0.000 0.201 47 K C -0.811 175.822 176.600 0.055 0.000 1.128 47 K CA 0.495 56.816 56.287 0.057 0.000 1.000 47 K CB 1.166 33.698 32.500 0.053 0.000 0.961 47 K HN 0.234 8.535 8.250 0.084 0.000 0.555 48 D N -2.291 118.147 120.400 0.062 0.000 2.827 48 D HA -0.006 4.657 4.640 0.038 0.000 0.336 48 D C -2.136 174.184 176.300 0.034 0.000 1.374 48 D CA -0.269 53.756 54.000 0.042 0.000 0.794 48 D CB 0.957 41.775 40.800 0.029 0.000 1.364 48 D HN -0.826 7.591 8.370 0.079 0.000 0.464 49 L N -5.375 115.843 121.223 -0.009 0.000 3.347 49 L HA 0.552 4.858 4.340 -0.058 0.000 0.306 49 L C -1.347 175.480 176.870 -0.071 0.000 1.301 49 L CA -0.677 54.123 54.840 -0.066 0.000 0.985 49 L CB 0.314 42.292 42.059 -0.135 0.000 1.400 49 L HN -0.112 8.112 8.230 -0.011 0.000 0.601 50 D N 0.212 120.592 120.400 -0.033 0.000 2.932 50 D HA 0.091 4.702 4.640 -0.048 0.000 0.294 50 D C 1.955 178.242 176.300 -0.021 0.000 1.119 50 D CA 1.831 55.811 54.000 -0.033 0.000 0.980 50 D CB 2.611 43.395 40.800 -0.026 0.000 1.361 50 D HN 0.138 8.957 8.370 -0.010 -0.455 0.466 51 E N 0.634 120.830 120.200 -0.006 0.000 2.338 51 E HA -0.177 4.148 4.350 -0.043 0.000 0.197 51 E C 1.438 178.034 176.600 -0.006 0.000 1.007 51 E CA 2.057 58.447 56.400 -0.017 0.000 0.849 51 E CB 0.071 29.772 29.700 0.002 0.000 0.774 51 E HN 0.230 8.963 8.360 0.004 -0.370 0.506 52 V N -3.337 116.608 119.914 0.051 0.000 2.970 52 V HA -0.245 4.027 4.120 0.254 0.000 0.260 52 V C -0.561 175.570 176.094 0.062 0.000 1.100 52 V CA 2.042 64.416 62.300 0.123 0.000 1.122 52 V CB 0.232 32.122 31.823 0.113 0.000 0.721 52 V HN -0.743 7.418 8.190 0.035 0.050 0.483 53 L N -0.752 120.470 121.223 -0.001 0.000 2.334 53 L HA 0.036 4.377 4.340 0.001 0.000 0.286 53 L C -0.003 176.849 176.870 -0.030 0.000 1.108 53 L CA -0.783 54.050 54.840 -0.012 0.000 0.875 53 L CB -1.984 40.061 42.059 -0.022 0.000 1.246 53 L HN -0.537 7.512 8.230 -0.012 0.174 0.439 54 Q N 2.458 122.238 119.800 -0.033 0.000 2.046 54 Q HA -0.140 4.128 4.340 -0.119 0.000 0.200 54 Q C 0.871 176.833 176.000 -0.064 0.000 0.975 54 Q CA 1.892 57.653 55.803 -0.071 0.000 0.836 54 Q CB 0.854 29.561 28.738 -0.052 0.000 0.896 54 Q HN 0.111 8.381 8.270 0.000 0.000 0.428 55 T N -2.085 112.439 114.554 -0.051 0.000 2.907 55 T HA 0.156 4.390 4.350 -0.193 0.000 0.292 55 T C -0.665 173.992 174.700 -0.071 0.000 1.043 55 T CA -1.467 60.563 62.100 -0.117 0.000 1.003 55 T CB 1.549 70.363 68.868 -0.090 0.000 1.084 55 T HN -0.762 7.465 8.240 -0.022 0.000 0.483 56 H N 2.595 121.664 119.070 -0.002 0.000 2.505 56 H HA 0.300 4.844 4.556 -0.021 0.000 0.286 56 H C -1.174 174.150 175.328 -0.007 0.000 1.072 56 H CA -1.932 54.107 56.048 -0.015 0.000 1.141 56 H CB -0.645 29.099 29.762 -0.029 0.000 1.550 56 H HN 0.212 8.040 8.280 -0.754 0.000 0.547 57 S N 1.723 117.397 115.700 -0.043 0.000 2.437 57 S HA 0.180 4.670 4.470 0.034 0.000 0.305 57 S C -1.299 173.334 174.600 0.056 0.000 1.109 57 S CA -0.266 57.927 58.200 -0.012 0.000 1.099 57 S CB 1.664 64.804 63.200 -0.100 0.000 1.004 57 S HN -0.779 7.370 8.310 -0.123 0.087 0.475 58 V N 4.296 124.239 119.914 0.048 0.000 2.483 58 V HA 0.448 4.820 4.120 0.231 -0.113 0.295 58 V C -2.505 173.627 176.094 0.063 0.000 1.035 58 V CA -2.406 59.982 62.300 0.146 0.000 0.896 58 V CB 2.597 34.542 31.823 0.203 0.000 0.986 58 V HN -0.420 7.780 8.190 0.016 0.000 0.447 59 F N 7.739 127.716 119.950 0.045 0.000 2.408 59 F HA 0.348 5.016 4.527 -0.003 -0.143 0.344 59 F C 0.638 176.411 175.800 -0.044 0.000 1.112 59 F CA -0.394 57.608 58.000 0.003 0.000 1.096 59 F CB 1.125 40.125 39.000 0.001 0.000 1.129 59 F HN 1.071 9.546 8.300 0.476 0.111 0.486 60 V N 2.383 122.307 119.914 0.017 0.000 3.235 60 V HA -0.010 4.165 4.120 -0.277 -0.221 0.259 60 V C -0.980 175.086 176.094 -0.048 0.000 1.133 60 V CA 0.794 63.019 62.300 -0.124 0.000 1.128 60 V CB 0.200 31.928 31.823 -0.158 0.000 0.757 60 V HN 0.387 8.559 8.190 -0.028 0.000 0.469 61 N N -3.064 115.679 118.700 0.073 0.000 3.429 61 N HA -0.015 4.755 4.740 0.050 0.000 0.221 61 N C -1.340 174.257 175.510 0.145 0.000 1.195 61 N CA 0.521 53.614 53.050 0.072 0.000 0.938 61 N CB 1.781 40.282 38.487 0.023 0.000 1.609 61 N HN -1.007 7.425 8.380 0.157 0.043 0.704 62 V N 4.663 124.643 119.914 0.110 0.000 2.913 62 V HA -0.304 3.922 4.120 0.177 0.000 0.260 62 V C -0.184 175.934 176.094 0.039 0.000 1.098 62 V CA 2.541 64.873 62.300 0.053 0.000 1.121 62 V CB 0.258 32.002 31.823 -0.132 0.000 0.714 62 V HN 0.961 9.553 8.190 0.067 -0.361 0.487 63 S N -1.353 114.368 115.700 0.034 0.000 2.387 63 S HA -0.188 4.290 4.470 0.013 0.000 0.226 63 S C 0.493 175.114 174.600 0.034 0.000 1.026 63 S CA 2.769 60.983 58.200 0.024 0.000 0.972 63 S CB -0.137 63.074 63.200 0.017 0.000 0.814 63 S HN -0.060 8.311 8.310 0.035 -0.040 0.477 64 K N 0.414 120.842 120.400 0.046 0.000 2.202 64 K HA 0.023 4.362 4.320 0.031 0.000 0.201 64 K C 0.484 177.122 176.600 0.063 0.000 1.051 64 K CA 0.334 56.646 56.287 0.042 0.000 0.977 64 K CB 1.564 34.082 32.500 0.029 0.000 0.792 64 K HN -0.302 8.248 8.250 0.052 -0.269 0.469 65 G N -0.316 108.552 108.800 0.113 0.000 2.215 65 G HA2 -0.342 3.798 3.960 0.299 0.000 0.198 65 G HA3 -0.342 3.692 3.960 0.124 0.000 0.198 65 G C -1.180 173.775 174.900 0.093 0.000 1.047 65 G CA -0.303 44.897 45.100 0.167 0.000 0.747 65 G HN -0.049 8.318 8.290 0.128 0.000 0.495 66 Q N 0.814 120.652 119.800 0.064 0.000 2.406 66 Q HA 0.241 4.543 4.340 -0.062 0.000 0.242 66 Q C -1.225 174.645 176.000 -0.218 0.000 1.036 66 Q CA -1.753 54.019 55.803 -0.051 0.000 0.904 66 Q CB 0.586 29.303 28.738 -0.034 0.000 1.244 66 Q HN -0.508 7.834 8.270 0.121 0.000 0.478 67 V N 6.455 126.154 119.914 -0.358 0.000 2.385 67 V HA 0.034 3.557 4.120 -0.994 0.000 0.269 67 V C -1.087 174.824 176.094 -0.305 0.000 1.043 67 V CA -0.582 61.350 62.300 -0.612 0.000 0.906 67 V CB 0.080 31.528 31.823 -0.626 0.000 0.995 67 V HN 0.202 8.249 8.190 -0.238 0.000 0.467 68 A N 8.628 131.304 122.820 -0.241 0.000 2.354 68 A HA 0.189 4.635 4.320 -0.080 -0.174 0.281 68 A C -0.819 176.729 177.584 -0.059 0.000 1.174 68 A CA -0.788 51.191 52.037 -0.096 0.000 0.828 68 A CB 0.768 19.757 19.000 -0.019 0.000 1.099 68 A HN 0.890 8.859 8.150 -0.301 0.000 0.516 69 K N 5.096 125.477 120.400 -0.033 0.000 2.362 69 K HA 0.213 4.536 4.320 0.004 0.000 0.245 69 K C 1.111 177.722 176.600 0.018 0.000 1.040 69 K CA -0.978 55.306 56.287 -0.004 0.000 0.961 69 K CB 1.129 33.624 32.500 -0.009 0.000 1.252 69 K HN 0.594 9.274 8.250 -0.034 -0.450 0.503 70 K N -1.892 118.518 120.400 0.016 0.000 2.209 70 K HA -0.332 3.996 4.320 0.013 0.000 0.204 70 K C 1.920 178.529 176.600 0.016 0.000 1.048 70 K CA 3.157 59.449 56.287 0.008 0.000 0.940 70 K CB -0.672 31.816 32.500 -0.020 0.000 0.729 70 K HN 0.551 8.809 8.250 0.014 0.000 0.451 71 E N -1.193 119.016 120.200 0.014 0.000 2.158 71 E HA -0.131 4.231 4.350 0.020 0.000 0.191 71 E C 1.875 178.495 176.600 0.035 0.000 0.982 71 E CA 2.977 59.389 56.400 0.020 0.000 0.823 71 E CB -0.973 28.733 29.700 0.010 0.000 0.766 71 E HN 0.398 8.737 8.360 0.008 0.026 0.468 72 D N 0.304 120.725 120.400 0.035 0.000 2.084 72 D HA -0.170 4.496 4.640 0.043 0.000 0.196 72 D C 2.383 178.745 176.300 0.104 0.000 0.985 72 D CA 3.608 57.638 54.000 0.050 0.000 0.826 72 D CB -0.143 40.672 40.800 0.025 0.000 0.978 72 D HN -0.736 7.544 8.370 0.023 0.104 0.456 73 L N -3.445 117.847 121.223 0.116 0.000 2.191 73 L HA -0.107 4.404 4.340 0.285 0.000 0.212 73 L C 1.987 178.961 176.870 0.172 0.000 1.103 73 L CA 3.466 58.412 54.840 0.177 0.000 0.769 73 L CB -0.744 41.380 42.059 0.109 0.000 0.908 73 L HN -0.116 8.163 8.230 0.080 0.000 0.438 74 I N -1.685 118.951 120.570 0.110 0.000 2.676 74 I HA -0.257 4.127 4.170 0.119 -0.142 0.259 74 I C 0.925 177.103 176.117 0.102 0.000 1.194 74 I CA 1.484 62.844 61.300 0.099 0.000 1.473 74 I CB -1.014 37.019 38.000 0.056 0.000 1.096 74 I HN -0.453 7.700 8.210 0.082 0.106 0.443 75 S N 0.107 115.868 115.700 0.102 0.000 2.460 75 S HA -0.061 4.448 4.470 0.065 0.000 0.226 75 S C 1.288 175.957 174.600 0.114 0.000 1.057 75 S CA 2.752 61.003 58.200 0.084 0.000 0.948 75 S CB 0.154 63.389 63.200 0.060 0.000 0.822 75 S HN -0.472 7.738 8.310 0.104 0.163 0.512 76 A N 1.676 124.601 122.820 0.175 0.000 1.873 76 A HA -0.147 4.278 4.320 0.175 0.000 0.215 76 A C 0.425 178.200 177.584 0.317 0.000 1.186 76 A CA 2.661 54.852 52.037 0.256 0.000 0.616 76 A CB -0.139 19.066 19.000 0.341 0.000 0.823 76 A HN 0.297 8.440 8.150 0.174 0.112 0.442 77 F N -2.347 117.697 119.950 0.156 0.000 2.243 77 F HA -0.126 4.419 4.527 0.030 0.000 0.287 77 F C 0.796 176.605 175.800 0.014 0.000 1.067 77 F CA 1.194 59.212 58.000 0.030 0.000 1.304 77 F CB 2.617 41.560 39.000 -0.094 0.000 1.087 77 F HN -0.446 7.992 8.300 0.411 0.109 0.513 78 G N -3.311 105.619 108.800 0.218 0.000 2.205 78 G HA2 -0.232 3.960 3.960 0.079 0.000 0.180 78 G HA3 -0.232 3.731 3.960 0.006 0.000 0.180 78 G C -0.923 174.074 174.900 0.161 0.000 1.004 78 G CA -0.239 44.924 45.100 0.105 0.000 0.670 78 G HN -0.305 8.160 8.290 0.292 0.000 0.496 79 T N 1.557 116.287 114.554 0.292 0.000 2.861 79 T HA 0.331 4.754 4.350 0.121 0.000 0.287 79 T C -0.533 174.218 174.700 0.085 0.000 1.003 79 T CA -0.983 61.228 62.100 0.186 0.000 0.977 79 T CB 2.047 71.059 68.868 0.240 0.000 0.996 79 T HN -0.845 7.611 8.240 0.451 0.054 0.448 80 D N 1.104 121.525 120.400 0.035 0.000 2.347 80 D HA -0.189 4.458 4.640 0.011 0.000 0.213 80 D C -0.646 175.633 176.300 -0.035 0.000 0.985 80 D CA 0.856 54.857 54.000 0.002 0.000 0.879 80 D CB 0.287 41.085 40.800 -0.002 0.000 0.919 80 D HN 0.226 8.618 8.370 0.037 0.000 0.526 81 D N -0.098 120.273 120.400 -0.048 0.000 2.316 81 D HA -0.071 4.525 4.640 -0.074 0.000 0.245 81 D C 0.450 176.669 176.300 -0.134 0.000 1.171 81 D CA -0.132 53.820 54.000 -0.081 0.000 0.856 81 D CB 0.992 41.750 40.800 -0.071 0.000 1.090 81 D HN -0.375 7.927 8.370 -0.025 0.053 0.476 82 Q N 6.483 126.211 119.800 -0.119 0.000 2.167 82 Q HA -0.245 3.991 4.340 -0.174 0.000 0.202 82 Q C 1.513 177.407 176.000 -0.177 0.000 0.970 82 Q CA 2.903 58.624 55.803 -0.136 0.000 0.855 82 Q CB 0.409 29.113 28.738 -0.058 0.000 0.911 82 Q HN 0.583 8.797 8.270 -0.094 0.000 0.438 83 T N 2.353 116.813 114.554 -0.157 0.000 2.684 83 T HA -0.461 3.777 4.350 -0.187 0.000 0.267 83 T C 1.664 176.224 174.700 -0.234 0.000 1.036 83 T CA 4.765 66.755 62.100 -0.184 0.000 1.148 83 T CB -0.534 68.242 68.868 -0.153 0.000 0.863 83 T HN -0.577 7.722 8.240 -0.128 -0.136 0.436 84 E N 1.414 121.481 120.200 -0.222 0.000 2.038 84 E HA -0.281 3.961 4.350 -0.179 0.000 0.195 84 E C 2.400 178.776 176.600 -0.373 0.000 1.000 84 E CA 3.046 59.308 56.400 -0.231 0.000 0.803 84 E CB -0.330 29.275 29.700 -0.159 0.000 0.750 84 E HN -0.137 8.473 8.360 -0.187 -0.362 0.448 85 I N -0.456 119.758 120.570 -0.593 0.000 2.142 85 I HA -0.503 2.913 4.170 -1.257 0.000 0.240 85 I C 2.120 177.981 176.117 -0.428 0.000 1.078 85 I CA 4.586 65.382 61.300 -0.840 0.000 1.343 85 I CB -0.258 37.214 38.000 -0.879 0.000 1.046 85 I HN -0.834 7.066 8.210 -0.516 0.000 0.405 86 C N -1.612 117.514 119.300 -0.290 0.000 2.425 86 C HA -0.476 3.912 4.460 -0.120 0.000 0.277 86 C C 1.676 176.563 174.990 -0.171 0.000 1.280 86 C CA 5.025 63.938 59.018 -0.176 0.000 1.744 86 C CB -0.907 26.745 27.740 -0.147 0.000 1.989 86 C HN 0.562 8.504 8.230 -0.293 0.112 0.491 87 K N 0.357 120.601 120.400 -0.261 0.000 2.057 87 K HA -0.457 3.554 4.320 -0.514 0.000 0.207 87 K C 2.069 178.658 176.600 -0.018 0.000 1.049 87 K CA 3.473 59.568 56.287 -0.321 0.000 0.931 87 K CB -0.383 31.866 32.500 -0.419 0.000 0.714 87 K HN 0.138 8.103 8.250 -0.285 0.114 0.440 88 Q N -1.554 118.225 119.800 -0.035 0.000 2.079 88 Q HA -0.292 4.124 4.340 0.127 0.000 0.200 88 Q C 2.745 178.796 176.000 0.085 0.000 0.974 88 Q CA 3.165 59.003 55.803 0.059 0.000 0.840 88 Q CB 0.164 28.931 28.738 0.048 0.000 0.898 88 Q HN -0.489 7.620 8.270 -0.137 0.079 0.430 89 I N -0.118 120.469 120.570 0.028 0.000 2.361 89 I HA -0.438 3.784 4.170 0.087 0.000 0.251 89 I C 1.986 178.181 176.117 0.130 0.000 1.133 89 I CA 3.879 65.222 61.300 0.071 0.000 1.413 89 I CB -0.307 37.721 38.000 0.048 0.000 1.073 89 I HN -0.046 8.131 8.210 -0.055 0.000 0.424 90 L N -2.293 119.041 121.223 0.186 0.000 2.156 90 L HA -0.200 4.278 4.340 0.230 0.000 0.208 90 L C 1.689 178.747 176.870 0.313 0.000 1.095 90 L CA 2.860 57.888 54.840 0.312 0.000 0.770 90 L CB -0.854 41.524 42.059 0.531 0.000 0.914 90 L HN -0.127 8.069 8.230 0.142 0.120 0.439 91 T N -4.559 110.191 114.554 0.326 0.000 3.022 91 T HA -0.005 4.385 4.350 0.066 0.000 0.250 91 T C 0.802 175.566 174.700 0.106 0.000 1.060 91 T CA 0.760 62.966 62.100 0.176 0.000 1.013 91 T CB 0.411 69.412 68.868 0.222 0.000 0.982 91 T HN -0.405 7.944 8.240 0.345 0.098 0.508 92 K N -0.425 120.047 120.400 0.120 0.000 2.676 92 K HA 0.355 4.719 4.320 0.074 0.000 0.205 92 K C -1.408 175.248 176.600 0.094 0.000 1.084 92 K CA -1.098 55.245 56.287 0.093 0.000 1.057 92 K CB 1.248 33.805 32.500 0.095 0.000 0.791 92 K HN -0.042 8.295 8.250 0.145 0.000 0.484 93 G N -2.095 106.763 108.800 0.097 0.000 3.015 93 G HA2 0.458 4.476 3.960 0.096 0.000 0.281 93 G HA3 0.458 4.659 3.960 0.108 -0.176 0.281 93 G C -1.370 173.578 174.900 0.079 0.000 1.386 93 G CA -0.976 44.182 45.100 0.096 0.000 0.959 93 G HN -0.929 7.421 8.290 0.101 0.000 0.522 94 E N 0.989 121.234 120.200 0.076 0.000 1.852 94 E HA 0.007 4.390 4.350 0.055 0.000 0.276 94 E C -0.672 175.963 176.600 0.059 0.000 1.163 94 E CA -0.871 55.566 56.400 0.061 0.000 1.117 94 E CB -0.818 28.916 29.700 0.057 0.000 1.124 94 E HN 0.574 8.879 8.360 0.084 0.106 0.458 95 V N 3.563 123.512 119.914 0.058 0.000 2.546 95 V HA 0.013 4.171 4.120 0.064 0.000 0.284 95 V C -0.860 175.256 176.094 0.038 0.000 1.050 95 V CA -1.634 60.700 62.300 0.058 0.000 0.981 95 V CB 1.738 33.605 31.823 0.074 0.000 0.990 95 V HN -0.414 7.773 8.190 0.056 0.037 0.474 96 Q N 8.519 128.338 119.800 0.032 0.000 2.300 96 Q HA -0.038 4.314 4.340 0.019 0.000 0.262 96 Q C -0.084 175.920 176.000 0.007 0.000 1.109 96 Q CA -0.974 54.839 55.803 0.017 0.000 0.905 96 Q CB -1.662 27.081 28.738 0.007 0.000 1.280 96 Q HN 0.139 8.432 8.270 0.039 0.000 0.426 97 V N -1.299 118.617 119.914 0.002 0.000 3.416 97 V HA 0.142 4.252 4.120 -0.017 0.000 0.334 97 V C -0.740 175.343 176.094 -0.017 0.000 1.271 97 V CA -0.794 61.499 62.300 -0.012 0.000 1.274 97 V CB -0.549 31.265 31.823 -0.016 0.000 1.153 97 V HN -0.024 8.171 8.190 0.009 0.000 0.433 98 S N 2.499 118.190 115.700 -0.016 0.000 2.455 98 S HA 0.018 4.478 4.470 -0.018 0.000 0.278 98 S C -0.366 174.213 174.600 -0.035 0.000 1.216 98 S CA 1.246 59.433 58.200 -0.022 0.000 1.055 98 S CB 0.338 63.525 63.200 -0.022 0.000 0.939 98 S HN -0.159 8.014 8.310 -0.011 0.130 0.494 99 D N 4.979 125.356 120.400 -0.038 0.000 2.301 99 D HA 0.088 4.697 4.640 -0.050 0.000 0.206 99 D C 0.453 176.725 176.300 -0.047 0.000 0.979 99 D CA 1.628 55.600 54.000 -0.046 0.000 0.874 99 D CB 0.758 41.532 40.800 -0.045 0.000 0.968 99 D HN 0.386 8.735 8.370 -0.035 0.000 0.510 100 K N -1.182 119.194 120.400 -0.041 0.000 2.550 100 K HA 0.193 4.488 4.320 -0.042 0.000 0.225 100 K C -1.202 175.382 176.600 -0.027 0.000 1.361 100 K CA 0.300 56.565 56.287 -0.038 0.000 0.801 100 K CB 2.223 34.700 32.500 -0.039 0.000 1.698 100 K HN -0.304 7.923 8.250 -0.038 0.000 0.411 101 E N 0.572 120.766 120.200 -0.010 0.000 2.290 101 E HA 0.080 4.456 4.350 0.043 0.000 0.277 101 E C 0.361 176.969 176.600 0.014 0.000 1.035 101 E CA -0.735 55.687 56.400 0.037 0.000 0.873 101 E CB 0.162 29.906 29.700 0.074 0.000 1.029 101 E HN -0.223 8.124 8.360 -0.021 0.000 0.419 102 R N 5.726 126.186 120.500 -0.065 0.000 4.496 102 R HA 0.129 4.405 4.340 -0.107 0.000 0.211 102 R C -0.790 175.266 176.300 -0.408 0.000 1.738 102 R CA -0.585 55.399 56.100 -0.193 0.000 1.528 102 R CB -1.521 28.649 30.300 -0.217 0.000 1.414 102 R HN 0.395 8.637 8.270 -0.047 0.000 0.812 103 H N -1.662 117.418 119.070 0.017 0.000 2.947 103 H HA 0.394 4.986 4.556 0.059 0.000 0.290 103 H C 0.156 175.501 175.328 0.027 0.000 1.430 103 H CA -0.851 55.219 56.048 0.036 0.000 1.189 103 H CB 3.915 33.697 29.762 0.033 0.000 1.875 103 H HN -0.374 7.869 8.280 0.053 0.068 0.568 104 T N 0.918 115.587 114.554 0.191 0.000 4.022 104 T HA 0.067 4.468 4.350 0.086 0.000 0.347 104 T C 0.941 175.700 174.700 0.099 0.000 1.227 104 T CA 0.311 62.478 62.100 0.113 0.000 0.898 104 T CB 0.816 69.745 68.868 0.101 0.000 2.033 104 T HN 0.260 8.647 8.240 0.246 0.000 0.525 105 Q N 2.524 122.377 119.800 0.088 0.000 2.780 105 Q HA -0.013 4.387 4.340 0.100 0.000 0.234 105 Q C -1.697 174.391 176.000 0.146 0.000 1.355 105 Q CA 0.653 56.517 55.803 0.102 0.000 0.919 105 Q CB -2.118 26.658 28.738 0.064 0.000 1.645 105 Q HN 0.173 8.492 8.270 0.081 0.000 0.568 106 L N 1.951 123.247 121.223 0.122 0.000 3.042 106 L HA 0.265 4.730 4.340 0.210 0.000 0.282 106 L C -1.153 175.699 176.870 -0.030 0.000 1.032 106 L CA 0.038 54.933 54.840 0.092 0.000 1.001 106 L CB 2.617 44.689 42.059 0.022 0.000 1.587 106 L HN -0.028 8.215 8.230 0.088 0.040 0.368 107 E N -2.744 117.407 120.200 -0.083 0.000 2.722 107 E HA -0.351 3.925 4.350 -0.123 0.000 0.265 107 E C -1.320 175.139 176.600 -0.235 0.000 1.081 107 E CA 1.309 57.629 56.400 -0.133 0.000 0.781 107 E CB -1.639 28.007 29.700 -0.091 0.000 1.372 107 E HN 0.343 8.672 8.360 -0.052 0.000 0.423 108 Q N -8.770 110.766 119.800 -0.440 0.000 2.494 108 Q HA -0.407 2.822 4.340 -1.851 0.000 0.266 108 Q C 0.587 176.073 176.000 -0.857 0.000 1.053 108 Q CA 0.930 56.173 55.803 -0.932 0.000 1.029 108 Q CB -1.736 26.723 28.738 -0.466 0.000 1.423 108 Q HN 0.386 8.442 8.270 -0.302 0.033 0.516 109 M N 0.223 119.480 119.600 -0.572 0.000 2.374 109 M HA -0.278 4.068 4.480 -0.224 0.000 0.264 109 M C -0.072 176.085 176.300 -0.238 0.000 1.067 109 M CA 2.355 57.487 55.300 -0.281 0.000 1.103 109 M CB -0.506 32.035 32.600 -0.099 0.000 1.402 109 M HN -0.251 7.616 8.290 -0.448 0.154 0.444 110 F N -6.554 113.363 119.950 -0.055 0.000 2.407 110 F HA -0.160 4.316 4.527 -0.085 0.000 0.299 110 F C 1.769 177.540 175.800 -0.049 0.000 1.097 110 F CA 1.133 59.088 58.000 -0.075 0.000 1.422 110 F CB -1.544 37.387 39.000 -0.115 0.000 1.067 110 F HN -0.423 7.223 8.300 -1.025 0.039 0.539 111 R N -0.557 119.820 120.500 -0.206 0.000 2.240 111 R HA -0.309 4.072 4.340 0.068 0.000 0.203 111 R C 0.785 177.039 176.300 -0.076 0.000 1.011 111 R CA 2.115 58.171 56.100 -0.073 0.000 1.007 111 R CB -0.124 30.084 30.300 -0.153 0.000 0.911 111 R HN -0.442 7.249 8.270 -0.712 0.151 0.468 112 D N 0.254 120.588 120.400 -0.110 0.000 2.078 112 D HA -0.271 4.325 4.640 -0.074 0.000 0.193 112 D C 1.721 177.996 176.300 -0.043 0.000 0.990 112 D CA 3.474 57.428 54.000 -0.076 0.000 0.827 112 D CB -0.240 40.511 40.800 -0.082 0.000 0.975 112 D HN -0.777 7.320 8.370 -0.168 0.172 0.451 113 I N -0.795 119.757 120.570 -0.029 0.000 2.493 113 I HA -0.321 3.832 4.170 -0.028 0.000 0.254 113 I C 0.763 176.874 176.117 -0.009 0.000 1.160 113 I CA 1.717 63.005 61.300 -0.020 0.000 1.445 113 I CB -0.266 37.725 38.000 -0.016 0.000 1.086 113 I HN -0.857 7.335 8.210 -0.029 0.000 0.433 114 A N -1.060 121.763 122.820 0.005 0.000 1.969 114 A HA -0.290 4.039 4.320 0.015 0.000 0.218 114 A C 1.817 179.399 177.584 -0.002 0.000 1.169 114 A CA 3.093 55.138 52.037 0.013 0.000 0.635 114 A CB -0.996 18.029 19.000 0.041 0.000 0.810 114 A HN -0.467 7.580 8.150 0.010 0.109 0.445 115 T N 1.357 115.903 114.554 -0.013 0.000 2.857 115 T HA -0.355 3.987 4.350 -0.013 0.000 0.266 115 T C 1.578 176.270 174.700 -0.012 0.000 1.048 115 T CA 5.025 67.116 62.100 -0.014 0.000 1.139 115 T CB 0.017 68.872 68.868 -0.021 0.000 0.874 115 T HN -0.548 7.544 8.240 -0.018 0.138 0.455 116 I N 0.738 121.297 120.570 -0.018 0.000 2.315 116 I HA -0.364 3.791 4.170 -0.025 0.000 0.248 116 I C 1.376 177.481 176.117 -0.020 0.000 1.117 116 I CA 3.835 65.121 61.300 -0.024 0.000 1.404 116 I CB -0.221 37.760 38.000 -0.032 0.000 1.071 116 I HN -0.784 7.324 8.210 -0.021 0.090 0.419 117 V N -0.555 119.351 119.914 -0.014 0.000 2.871 117 V HA -0.314 3.800 4.120 -0.011 0.000 0.256 117 V C 0.685 176.781 176.094 0.002 0.000 1.082 117 V CA 1.155 63.450 62.300 -0.007 0.000 1.105 117 V CB -0.342 31.477 31.823 -0.006 0.000 0.713 117 V HN -0.150 8.032 8.190 -0.013 0.000 0.473 118 A N 1.458 124.280 122.820 0.003 0.000 1.851 118 A HA -0.354 3.972 4.320 0.009 0.000 0.216 118 A C 2.097 179.696 177.584 0.025 0.000 1.195 118 A CA 3.590 55.633 52.037 0.010 0.000 0.622 118 A CB -0.679 18.322 19.000 0.003 0.000 0.831 118 A HN -0.334 7.681 8.150 -0.002 0.134 0.444 119 D N -2.974 117.442 120.400 0.027 0.000 2.310 119 D HA -0.215 4.464 4.640 0.064 0.000 0.212 119 D C 1.413 177.738 176.300 0.041 0.000 0.965 119 D CA 3.285 57.311 54.000 0.042 0.000 0.879 119 D CB -0.156 40.663 40.800 0.032 0.000 0.921 119 D HN -0.510 7.869 8.370 0.016 0.000 0.510 120 K N -2.040 118.374 120.400 0.023 0.000 2.459 120 K HA -0.117 4.362 4.320 0.044 -0.133 0.193 120 K C -1.485 175.143 176.600 0.046 0.000 1.030 120 K CA 1.255 57.562 56.287 0.033 0.000 1.026 120 K CB 0.385 32.891 32.500 0.010 0.000 0.809 120 K HN -0.207 7.874 8.250 0.013 0.177 0.504 121 C N -3.946 115.375 119.300 0.035 0.000 2.889 121 C HA 0.284 4.757 4.460 0.022 0.000 0.307 121 C C -1.217 173.788 174.990 0.024 0.000 1.251 121 C CA -1.439 57.594 59.018 0.024 0.000 1.593 121 C CB 4.106 31.855 27.740 0.016 0.000 2.104 121 C HN -0.567 7.512 8.230 0.034 0.171 0.476 122 V N 3.414 123.333 119.914 0.008 0.000 2.417 122 V HA 0.211 4.347 4.120 0.027 0.000 0.291 122 V C -1.418 174.680 176.094 0.007 0.000 1.024 122 V CA -1.151 61.152 62.300 0.005 0.000 0.861 122 V CB 1.638 33.440 31.823 -0.035 0.000 0.985 122 V HN 0.419 8.608 8.190 -0.001 0.000 0.436 123 N N 7.025 125.737 118.700 0.020 0.000 2.509 123 N HA 0.205 4.951 4.740 0.011 0.000 0.287 123 N C -1.384 174.137 175.510 0.018 0.000 1.121 123 N CA -2.264 50.797 53.050 0.018 0.000 0.977 123 N CB -0.361 38.140 38.487 0.024 0.000 1.167 123 N HN 0.301 8.702 8.380 0.034 0.000 0.476 124 P HA 0.063 4.488 4.420 0.009 0.000 0.275 124 P C -0.729 176.584 177.300 0.021 0.000 1.266 124 P CA -0.751 62.357 63.100 0.012 0.000 0.793 124 P CB 0.399 32.103 31.700 0.008 0.000 1.074 125 E N -1.560 118.652 120.200 0.021 0.000 2.729 125 E HA -0.277 4.093 4.350 0.034 0.000 0.246 125 E C -0.194 176.422 176.600 0.026 0.000 0.984 125 E CA 1.736 58.152 56.400 0.026 0.000 0.951 125 E CB -0.705 29.009 29.700 0.022 0.000 0.914 125 E HN 0.198 8.568 8.360 0.016 0.000 0.509 126 T N 1.392 115.966 114.554 0.034 0.000 3.492 126 T HA -0.078 4.290 4.350 0.029 0.000 0.274 126 T C -0.675 174.052 174.700 0.045 0.000 0.885 126 T CA 0.448 62.567 62.100 0.032 0.000 0.776 126 T CB 0.643 69.525 68.868 0.024 0.000 1.197 126 T HN 0.009 8.274 8.240 0.041 0.000 0.832 127 K N 0.022 120.458 120.400 0.060 0.000 3.238 127 K HA 0.087 4.466 4.320 0.099 0.000 0.324 127 K C -2.330 174.342 176.600 0.120 0.000 1.064 127 K CA 0.288 56.631 56.287 0.094 0.000 0.782 127 K CB 1.692 34.245 32.500 0.088 0.000 1.465 127 K HN -0.438 7.845 8.250 0.056 0.000 0.412 128 R N -0.289 120.332 120.500 0.203 0.000 2.532 128 R HA 0.409 4.844 4.340 0.158 0.000 0.272 128 R C -1.291 175.146 176.300 0.228 0.000 1.032 128 R CA -2.206 54.032 56.100 0.230 0.000 1.089 128 R CB 0.310 30.768 30.300 0.263 0.000 1.098 128 R HN 0.322 8.758 8.270 0.276 0.000 0.526 129 P HA -0.019 4.582 4.420 0.075 -0.136 0.231 129 P C -0.748 176.628 177.300 0.127 0.000 1.158 129 P CA 1.567 64.741 63.100 0.123 0.000 0.763 129 P CB 0.283 32.056 31.700 0.122 0.000 0.805 130 Y N -5.021 115.299 120.300 0.032 0.000 2.571 130 Y HA -0.066 4.498 4.550 0.022 0.000 0.294 130 Y C 0.001 175.913 175.900 0.021 0.000 1.141 130 Y CA -0.772 57.342 58.100 0.023 0.000 1.308 130 Y CB -0.924 37.547 38.460 0.019 0.000 1.002 130 Y HN -0.539 7.925 8.280 0.449 0.085 0.551 131 T N 5.164 119.381 114.554 -0.562 0.000 3.462 131 T HA -0.169 3.650 4.350 -0.885 0.000 0.257 131 T C 0.565 175.115 174.700 -0.249 0.000 1.015 131 T CA 0.977 62.735 62.100 -0.571 0.000 1.135 131 T CB -1.302 67.363 68.868 -0.339 0.000 1.061 131 T HN -0.387 7.666 8.240 -0.216 0.057 0.772 132 V N 6.089 125.876 119.914 -0.212 0.000 2.392 132 V HA -0.488 3.594 4.120 -0.063 0.000 0.249 132 V C 1.136 177.194 176.094 -0.061 0.000 1.059 132 V CA 3.573 65.817 62.300 -0.093 0.000 1.051 132 V CB -0.019 31.764 31.823 -0.066 0.000 0.658 132 V HN -0.076 7.913 8.190 -0.285 0.030 0.455 133 I N -3.238 117.286 120.570 -0.078 0.000 2.335 133 I HA -0.368 3.806 4.170 0.007 0.000 0.251 133 I C 1.677 177.780 176.117 -0.024 0.000 1.129 133 I CA 2.314 63.595 61.300 -0.031 0.000 1.402 133 I CB -1.661 36.316 38.000 -0.038 0.000 1.069 133 I HN -0.139 7.981 8.210 -0.128 0.013 0.424 134 L N -0.227 120.967 121.223 -0.049 0.000 2.046 134 L HA -0.268 4.060 4.340 -0.019 0.000 0.208 134 L C 1.961 178.825 176.870 -0.010 0.000 1.077 134 L CA 3.531 58.354 54.840 -0.029 0.000 0.747 134 L CB -0.182 41.854 42.059 -0.038 0.000 0.896 134 L HN -0.582 7.464 8.230 -0.086 0.132 0.432 135 I N -2.582 117.981 120.570 -0.011 0.000 2.584 135 I HA -0.319 3.854 4.170 0.005 0.000 0.255 135 I C 1.137 177.264 176.117 0.017 0.000 1.145 135 I CA 1.895 63.197 61.300 0.003 0.000 1.462 135 I CB 0.088 38.089 38.000 0.001 0.000 1.102 135 I HN -0.871 7.324 8.210 -0.025 0.000 0.433 136 E N 1.526 121.740 120.200 0.024 0.000 2.106 136 E HA -0.382 4.002 4.350 0.056 0.000 0.192 136 E C 1.889 178.519 176.600 0.050 0.000 0.984 136 E CA 3.269 59.701 56.400 0.053 0.000 0.806 136 E CB -0.705 29.046 29.700 0.084 0.000 0.750 136 E HN 0.352 8.719 8.360 0.011 0.000 0.458 137 R N -1.894 118.626 120.500 0.034 0.000 2.120 137 R HA -0.239 4.118 4.340 0.027 0.000 0.234 137 R C 0.867 177.182 176.300 0.024 0.000 1.123 137 R CA 2.251 58.366 56.100 0.025 0.000 0.975 137 R CB -0.596 29.712 30.300 0.013 0.000 0.866 137 R HN 0.063 8.348 8.270 0.025 0.000 0.446 138 A N -3.738 119.096 122.820 0.024 0.000 1.997 138 A HA 0.065 4.398 4.320 0.021 0.000 0.212 138 A C 1.607 179.213 177.584 0.037 0.000 1.178 138 A CA 1.684 53.736 52.037 0.024 0.000 0.698 138 A CB 0.260 19.270 19.000 0.018 0.000 0.842 138 A HN -0.796 7.244 8.150 0.022 0.123 0.458 139 M N 0.086 119.710 119.600 0.041 0.000 2.077 139 M HA -0.349 4.159 4.480 0.046 0.000 0.261 139 M C 0.988 177.334 176.300 0.077 0.000 1.070 139 M CA 3.706 59.037 55.300 0.051 0.000 1.125 139 M CB 0.384 33.009 32.600 0.043 0.000 1.339 139 M HN -0.026 8.199 8.290 0.036 0.087 0.409 140 K N -4.157 116.289 120.400 0.077 0.000 2.486 140 K HA -0.117 4.452 4.320 0.122 -0.176 0.194 140 K C 1.196 177.880 176.600 0.140 0.000 1.033 140 K CA 1.898 58.254 56.287 0.116 0.000 1.004 140 K CB -0.772 31.777 32.500 0.082 0.000 0.798 140 K HN -0.178 8.110 8.250 0.063 0.000 0.495 141 D N -0.742 119.705 120.400 0.078 0.000 2.149 141 D HA -0.125 4.532 4.640 0.028 0.000 0.206 141 D C 1.340 177.667 176.300 0.046 0.000 0.967 141 D CA 2.511 56.537 54.000 0.044 0.000 0.848 141 D CB 0.355 41.169 40.800 0.022 0.000 0.998 141 D HN -0.204 8.012 8.370 0.066 0.193 0.474 142 I N -1.888 118.721 120.570 0.065 0.000 2.277 142 I HA -0.142 4.054 4.170 0.043 0.000 0.243 142 I C 0.402 176.584 176.117 0.108 0.000 1.094 142 I CA 1.265 62.608 61.300 0.071 0.000 1.393 142 I CB 0.587 38.631 38.000 0.074 0.000 1.078 142 I HN -0.755 7.497 8.210 0.069 0.000 0.417 143 H N -0.284 118.813 119.070 0.046 0.000 2.866 143 H HA 0.236 4.829 4.556 0.062 0.000 0.287 143 H C -1.620 173.757 175.328 0.081 0.000 1.106 143 H CA -1.843 54.238 56.048 0.055 0.000 1.396 143 H CB 0.711 30.489 29.762 0.027 0.000 1.469 143 H HN -0.695 7.698 8.280 0.188 0.000 0.500 144 Y N 8.011 128.267 120.300 -0.075 0.000 2.480 144 Y HA -0.166 4.453 4.550 -0.016 -0.078 0.338 144 Y C -0.869 175.062 175.900 0.051 0.000 1.220 144 Y CA 1.203 59.281 58.100 -0.038 0.000 1.430 144 Y CB 0.952 39.351 38.460 -0.103 0.000 1.311 144 Y HN -0.014 8.288 8.280 0.037 0.000 0.575 145 S N 2.851 118.215 115.700 -0.560 0.000 3.667 145 S HA -0.313 4.118 4.470 -0.367 -0.181 0.405 145 S C -0.826 173.785 174.600 0.018 0.000 0.913 145 S CA 0.409 58.428 58.200 -0.302 0.000 1.288 145 S CB -0.801 62.271 63.200 -0.213 0.000 0.905 145 S HN 0.385 8.051 8.310 -1.074 0.000 0.550 146 V N -7.958 111.973 119.914 0.029 0.000 3.573 146 V HA -0.126 3.994 4.120 0.001 0.000 0.270 146 V C 0.255 176.335 176.094 -0.024 0.000 1.221 146 V CA 1.226 63.533 62.300 0.013 0.000 1.163 146 V CB -0.652 31.165 31.823 -0.010 0.000 0.847 146 V HN -0.000 8.172 8.190 -0.030 0.000 0.468 147 K N -0.035 120.360 120.400 -0.007 0.000 2.276 147 K HA -0.015 4.292 4.320 -0.022 0.000 0.198 147 K C -0.007 176.589 176.600 -0.006 0.000 1.052 147 K CA -0.207 56.074 56.287 -0.010 0.000 0.984 147 K CB 0.902 33.404 32.500 0.003 0.000 0.836 147 K HN 0.100 8.269 8.250 -0.008 0.076 0.490 148 T N 1.943 116.501 114.554 0.006 0.000 2.817 148 T HA -0.132 4.227 4.350 0.015 0.000 0.295 148 T C -0.616 174.095 174.700 0.019 0.000 0.958 148 T CA 1.638 63.748 62.100 0.018 0.000 1.157 148 T CB -0.169 68.716 68.868 0.028 0.000 0.898 148 T HN -0.004 8.237 8.240 0.002 0.000 0.536 149 N N 0.015 118.721 118.700 0.010 0.000 2.708 149 N HA -0.443 4.294 4.740 -0.005 0.000 0.251 149 N C -1.137 174.363 175.510 -0.017 0.000 1.017 149 N CA 0.625 53.677 53.050 0.003 0.000 0.742 149 N CB -1.871 36.628 38.487 0.021 0.000 0.943 149 N HN 0.396 8.782 8.380 0.010 0.000 0.539 150 K N 0.810 121.190 120.400 -0.033 0.000 2.382 150 K HA -0.127 4.151 4.320 -0.070 0.000 0.286 150 K C -0.442 176.117 176.600 -0.068 0.000 1.062 150 K CA 0.547 56.799 56.287 -0.059 0.000 1.000 150 K CB 0.059 32.522 32.500 -0.062 0.000 0.954 150 K HN -0.659 7.558 8.250 -0.028 0.016 0.470 151 S N 9.112 124.770 115.700 -0.070 0.000 2.416 151 S HA 0.181 4.600 4.470 -0.085 0.000 0.302 151 S C 0.927 175.480 174.600 -0.078 0.000 1.120 151 S CA -0.959 57.196 58.200 -0.074 0.000 1.067 151 S CB -0.066 63.099 63.200 -0.059 0.000 1.057 151 S HN 0.333 8.601 8.310 -0.070 0.000 0.518 152 T N 4.338 118.839 114.554 -0.088 0.000 2.520 152 T HA -0.282 4.025 4.350 -0.071 0.000 0.258 152 T C 0.744 175.403 174.700 -0.069 0.000 1.125 152 T CA 2.728 64.780 62.100 -0.079 0.000 1.206 152 T CB -0.047 68.767 68.868 -0.089 0.000 0.864 152 T HN 0.040 8.219 8.240 -0.102 0.000 0.400 153 K N 1.521 121.875 120.400 -0.076 0.000 2.737 153 K HA -0.046 4.246 4.320 -0.046 0.000 0.251 153 K C -0.894 175.675 176.600 -0.052 0.000 1.280 153 K CA 0.651 56.903 56.287 -0.059 0.000 1.219 153 K CB -1.650 30.814 32.500 -0.061 0.000 1.587 153 K HN 0.217 8.410 8.250 -0.096 0.000 0.279 154 Q N -0.247 119.525 119.800 -0.047 0.000 2.219 154 Q HA 0.022 4.344 4.340 -0.030 0.000 0.169 154 Q C 0.232 176.211 176.000 -0.035 0.000 0.701 154 Q CA 1.076 56.856 55.803 -0.038 0.000 0.871 154 Q CB 1.426 30.140 28.738 -0.041 0.000 1.215 154 Q HN 0.111 8.281 8.270 -0.049 0.070 0.373 155 Q N 0.427 120.200 119.800 -0.045 0.000 2.189 155 Q HA 0.437 5.037 4.340 -0.037 -0.282 0.221 155 Q C 0.624 176.594 176.000 -0.051 0.000 0.848 155 Q CA -1.734 54.040 55.803 -0.049 0.000 1.007 155 Q CB 0.573 29.270 28.738 -0.068 0.000 1.116 155 Q HN -0.361 7.877 8.270 -0.053 0.000 0.481 156 A N 1.346 124.141 122.820 -0.042 0.000 1.908 156 A HA -0.249 4.047 4.320 -0.041 0.000 0.218 156 A C 1.121 178.688 177.584 -0.028 0.000 1.181 156 A CA 3.779 55.795 52.037 -0.035 0.000 0.627 156 A CB -0.765 18.219 19.000 -0.027 0.000 0.818 156 A HN -0.043 7.999 8.150 -0.039 0.084 0.445 157 L N -3.654 117.556 121.223 -0.023 0.000 2.156 157 L HA -0.199 4.132 4.340 -0.014 0.000 0.208 157 L C 2.456 179.314 176.870 -0.019 0.000 1.095 157 L CA 2.381 57.211 54.840 -0.017 0.000 0.770 157 L CB -1.009 41.042 42.059 -0.013 0.000 0.914 157 L HN 0.163 8.379 8.230 -0.023 0.000 0.439 158 E N -0.426 119.759 120.200 -0.025 0.000 2.047 158 E HA -0.328 4.015 4.350 -0.013 0.000 0.191 158 E C 2.414 178.993 176.600 -0.036 0.000 0.987 158 E CA 3.415 59.800 56.400 -0.025 0.000 0.799 158 E CB -0.589 29.093 29.700 -0.030 0.000 0.752 158 E HN -0.269 7.991 8.360 -0.028 0.083 0.449 159 V N 0.309 120.188 119.914 -0.058 0.000 2.287 159 V HA -0.434 3.631 4.120 -0.091 0.000 0.248 159 V C 2.131 178.204 176.094 -0.034 0.000 1.053 159 V CA 4.097 66.356 62.300 -0.068 0.000 1.027 159 V CB -0.122 31.653 31.823 -0.080 0.000 0.646 159 V HN 0.204 8.358 8.190 -0.061 0.000 0.447 160 I N -1.802 118.754 120.570 -0.024 0.000 2.493 160 I HA -0.396 3.768 4.170 -0.009 0.000 0.254 160 I C 1.144 177.257 176.117 -0.006 0.000 1.160 160 I CA 2.059 63.352 61.300 -0.011 0.000 1.445 160 I CB -0.194 37.802 38.000 -0.007 0.000 1.086 160 I HN -0.726 7.468 8.210 -0.027 0.000 0.433 161 K N -0.995 119.401 120.400 -0.006 0.000 2.186 161 K HA -0.181 4.139 4.320 0.000 0.000 0.202 161 K C 2.736 179.340 176.600 0.007 0.000 1.052 161 K CA 2.213 58.500 56.287 -0.000 0.000 0.965 161 K CB -0.662 31.838 32.500 0.000 0.000 0.746 161 K HN -0.589 7.530 8.250 -0.011 0.125 0.457 162 Q N -0.139 119.666 119.800 0.008 0.000 2.124 162 Q HA -0.321 4.039 4.340 0.033 0.000 0.202 162 Q C 2.545 178.560 176.000 0.025 0.000 0.977 162 Q CA 3.330 59.148 55.803 0.025 0.000 0.850 162 Q CB -0.151 28.607 28.738 0.033 0.000 0.901 162 Q HN 0.203 8.386 8.270 -0.002 0.085 0.429 163 L N -0.232 121.000 121.223 0.015 0.000 2.027 163 L HA -0.228 4.126 4.340 0.022 0.000 0.206 163 L C 1.065 177.942 176.870 0.012 0.000 1.074 163 L CA 2.864 57.713 54.840 0.015 0.000 0.745 163 L CB -0.056 42.008 42.059 0.008 0.000 0.898 163 L HN -0.331 7.896 8.230 0.006 0.007 0.433 164 K N -1.511 118.894 120.400 0.008 0.000 2.147 164 K HA -0.341 4.210 4.320 0.005 -0.228 0.205 164 K C 2.578 179.183 176.600 0.007 0.000 1.049 164 K CA 3.228 59.518 56.287 0.006 0.000 0.936 164 K CB -0.396 32.105 32.500 0.002 0.000 0.722 164 K HN -0.701 7.553 8.250 0.006 0.000 0.446 165 E N -1.381 118.825 120.200 0.011 0.000 2.097 165 E HA -0.329 4.027 4.350 0.009 0.000 0.196 165 E C 2.185 178.792 176.600 0.011 0.000 1.000 165 E CA 3.267 59.675 56.400 0.012 0.000 0.804 165 E CB -0.231 29.480 29.700 0.019 0.000 0.740 165 E HN -0.134 8.112 8.360 0.013 0.122 0.454 166 K N -2.653 117.755 120.400 0.014 0.000 2.102 166 K HA -0.052 4.274 4.320 0.010 0.000 0.208 166 K C 0.551 177.156 176.600 0.009 0.000 1.027 166 K CA 0.634 56.928 56.287 0.012 0.000 0.958 166 K CB 0.914 33.423 32.500 0.016 0.000 0.819 166 K HN -0.685 7.570 8.250 0.017 0.005 0.453 167 M N 0.908 120.514 119.600 0.009 0.000 2.129 167 M HA 0.107 4.590 4.480 0.006 0.000 0.348 167 M C -1.939 174.364 176.300 0.005 0.000 1.116 167 M CA -0.116 55.188 55.300 0.007 0.000 1.022 167 M CB 1.215 33.820 32.600 0.008 0.000 1.599 167 M HN -0.337 7.960 8.290 0.012 0.000 0.449 168 K N 8.020 128.422 120.400 0.003 0.000 2.220 168 K HA 0.061 4.381 4.320 0.001 0.000 0.283 168 K C -0.032 176.567 176.600 -0.000 0.000 1.098 168 K CA -0.546 55.741 56.287 0.001 0.000 0.928 168 K CB -1.455 31.045 32.500 -0.001 0.000 1.214 168 K HN 0.393 8.644 8.250 0.003 0.000 0.442 169 I N -0.202 120.368 120.570 -0.001 0.000 2.882 169 I HA -0.015 4.155 4.170 -0.000 0.000 0.286 169 I C 0.259 176.371 176.117 -0.008 0.000 1.139 169 I CA -0.668 60.631 61.300 -0.002 0.000 1.379 169 I CB 0.815 38.816 38.000 0.001 0.000 1.410 169 I HN -0.440 7.770 8.210 0.000 0.000 0.594 170 E N 3.991 124.183 120.200 -0.013 0.000 2.014 170 E HA 0.151 4.487 4.350 -0.023 0.000 0.275 170 E C -0.707 175.872 176.600 -0.035 0.000 0.997 170 E CA -0.776 55.609 56.400 -0.025 0.000 0.804 170 E CB -0.333 29.349 29.700 -0.031 0.000 1.090 170 E HN 0.435 8.684 8.360 -0.010 0.105 0.401 171 R N 1.373 121.854 120.500 -0.032 0.000 3.868 171 R HA -0.487 3.834 4.340 -0.032 0.000 0.476 171 R C -1.567 174.721 176.300 -0.020 0.000 0.241 171 R CA 1.464 57.543 56.100 -0.036 0.000 1.496 171 R CB -0.482 29.782 30.300 -0.060 0.000 1.052 171 R HN 0.249 8.503 8.270 -0.027 0.000 0.541 172 A N -2.832 119.979 122.820 -0.016 0.000 2.806 172 A HA 0.478 4.961 4.320 0.028 -0.146 0.310 172 A C -2.064 175.547 177.584 0.044 0.000 1.169 172 A CA -0.946 51.103 52.037 0.020 0.000 0.621 172 A CB 2.242 21.258 19.000 0.025 0.000 1.412 172 A HN 0.028 8.159 8.150 -0.031 0.000 0.576 173 H N 0.602 119.664 119.070 -0.013 0.000 2.944 173 H HA -0.043 4.512 4.556 -0.002 0.000 0.278 173 H C -0.559 174.760 175.328 -0.015 0.000 1.083 173 H CA 0.842 56.886 56.048 -0.007 0.000 1.479 173 H CB -0.536 29.226 29.762 0.000 0.000 1.486 173 H HN 0.124 8.504 8.280 0.166 0.000 0.493 174 M N 6.211 125.559 119.600 -0.420 0.000 2.840 174 M HA 0.122 4.413 4.480 -0.316 0.000 0.283 174 M C -1.292 174.724 176.300 -0.473 0.000 1.136 174 M CA -1.780 53.298 55.300 -0.369 0.000 0.857 174 M CB 3.030 35.520 32.600 -0.184 0.000 1.644 174 M HN 0.122 8.244 8.290 -0.279 0.000 0.520 175 R N -1.043 119.290 120.500 -0.278 0.000 2.561 175 R HA 0.332 4.528 4.340 -0.240 0.000 0.297 175 R C -1.977 174.210 176.300 -0.188 0.000 0.969 175 R CA -0.708 55.257 56.100 -0.224 0.000 0.879 175 R CB 2.399 32.596 30.300 -0.172 0.000 1.178 175 R HN 0.363 8.506 8.270 -0.212 0.000 0.445 176 L N 1.659 122.749 121.223 -0.222 0.000 2.370 176 L HA 0.569 4.865 4.340 -0.225 -0.091 0.266 176 L C -1.396 175.184 176.870 -0.485 0.000 1.002 176 L CA -0.792 53.872 54.840 -0.294 0.000 0.818 176 L CB 4.491 46.391 42.059 -0.264 0.000 1.325 176 L HN 0.479 8.578 8.230 -0.218 0.000 0.418 177 R N -0.824 119.396 120.500 -0.466 0.000 2.561 177 R HA 0.768 4.962 4.340 -0.632 -0.234 0.297 177 R C -1.376 174.655 176.300 -0.448 0.000 0.969 177 R CA -2.269 53.538 56.100 -0.487 0.000 0.879 177 R CB 2.666 32.826 30.300 -0.232 0.000 1.178 177 R HN 1.199 9.152 8.270 -0.329 0.119 0.445 178 F N 2.407 122.346 119.950 -0.017 0.000 2.385 178 F HA 0.757 5.448 4.527 -0.010 -0.171 0.336 178 F C -0.450 175.339 175.800 -0.019 0.000 1.100 178 F CA -1.853 56.139 58.000 -0.013 0.000 1.116 178 F CB 1.642 40.638 39.000 -0.007 0.000 1.166 178 F HN 0.565 8.557 8.300 -0.513 0.000 0.511 179 I N 2.998 123.666 120.570 0.163 0.000 2.410 179 I HA 0.516 4.725 4.170 0.064 0.000 0.286 179 I C -1.819 174.341 176.117 0.072 0.000 1.009 179 I CA -0.423 60.925 61.300 0.081 0.000 1.111 179 I CB 0.708 38.733 38.000 0.042 0.000 1.262 179 I HN 0.924 9.140 8.210 0.189 0.107 0.443 180 L N 1.161 122.418 121.223 0.057 0.000 2.540 180 L HA 0.650 5.010 4.340 0.034 0.000 0.256 180 L C -2.672 174.217 176.870 0.032 0.000 1.001 180 L CA -3.220 51.644 54.840 0.040 0.000 0.843 180 L CB 0.467 42.547 42.059 0.035 0.000 1.436 180 L HN 0.199 8.462 8.230 0.054 0.000 0.410 181 P HA 0.391 4.987 4.420 0.027 -0.161 0.274 181 P C 1.351 178.670 177.300 0.032 0.000 1.260 181 P CA -1.188 61.928 63.100 0.027 0.000 0.793 181 P CB 1.458 33.171 31.700 0.021 0.000 1.048 182 V N -0.367 119.569 119.914 0.036 0.000 2.332 182 V HA -0.564 3.588 4.120 0.054 0.000 0.248 182 V C 1.497 177.613 176.094 0.036 0.000 1.055 182 V CA 4.557 66.883 62.300 0.044 0.000 1.038 182 V CB -0.509 31.342 31.823 0.046 0.000 0.651 182 V HN -0.162 8.048 8.190 0.034 0.000 0.450 183 N N -0.249 118.468 118.700 0.027 0.000 2.018 183 N HA -0.430 4.323 4.740 0.021 0.000 0.196 183 N C 1.686 177.207 175.510 0.018 0.000 1.043 183 N CA 3.312 56.375 53.050 0.021 0.000 0.856 183 N CB -0.930 37.566 38.487 0.016 0.000 1.042 183 N HN 0.229 8.625 8.380 0.026 0.000 0.423 184 E N -1.440 118.770 120.200 0.016 0.000 2.208 184 E HA -0.174 4.179 4.350 0.005 0.000 0.193 184 E C 1.774 178.382 176.600 0.014 0.000 0.988 184 E CA 2.312 58.718 56.400 0.010 0.000 0.828 184 E CB -0.904 28.800 29.700 0.006 0.000 0.763 184 E HN 0.123 8.494 8.360 0.018 0.000 0.478 185 G N -0.612 108.204 108.800 0.027 0.000 2.432 185 G HA2 -0.265 3.716 3.960 0.035 0.000 0.219 185 G HA3 -0.265 3.725 3.960 0.050 0.000 0.219 185 G C 1.114 176.038 174.900 0.039 0.000 1.135 185 G CA 1.317 46.440 45.100 0.038 0.000 0.767 185 G HN 0.297 8.396 8.290 0.029 0.208 0.550 186 K N 0.066 120.487 120.400 0.035 0.000 3.233 186 K HA -0.033 4.311 4.320 0.039 0.000 0.283 186 K C -0.918 175.692 176.600 0.017 0.000 1.209 186 K CA -0.444 55.861 56.287 0.031 0.000 1.197 186 K CB -2.042 30.475 32.500 0.029 0.000 1.431 186 K HN -0.447 7.806 8.250 0.033 0.016 0.326 187 K N -3.164 117.244 120.400 0.013 0.000 3.019 187 K HA 0.052 4.373 4.320 0.001 0.000 0.192 187 K C -0.273 176.324 176.600 -0.005 0.000 1.680 187 K CA 0.855 57.142 56.287 0.000 0.000 1.375 187 K CB 1.574 34.069 32.500 -0.008 0.000 1.968 187 K HN 0.117 8.266 8.250 0.019 0.112 0.624 188 L N -4.995 116.224 121.223 -0.006 0.000 2.307 188 L HA 0.201 4.524 4.340 -0.027 0.000 0.211 188 L C 1.284 178.164 176.870 0.017 0.000 1.099 188 L CA 2.047 56.879 54.840 -0.015 0.000 0.816 188 L CB 0.118 42.149 42.059 -0.046 0.000 0.952 188 L HN -0.733 7.496 8.230 -0.001 0.000 0.455 189 K N 0.675 121.098 120.400 0.037 0.000 2.283 189 K HA -0.290 4.074 4.320 0.074 0.000 0.202 189 K C 1.123 177.750 176.600 0.044 0.000 1.048 189 K CA 3.076 59.400 56.287 0.061 0.000 0.948 189 K CB -0.170 32.381 32.500 0.085 0.000 0.742 189 K HN -0.490 7.780 8.250 0.035 0.000 0.458 190 E N -6.653 113.563 120.200 0.026 0.000 2.476 190 E HA 0.040 4.401 4.350 0.018 0.000 0.196 190 E C -0.150 176.456 176.600 0.010 0.000 1.029 190 E CA 0.824 57.233 56.400 0.016 0.000 0.896 190 E CB -0.573 29.132 29.700 0.010 0.000 1.012 190 E HN 0.052 8.382 8.360 0.022 0.043 0.475 191 K N -1.992 118.414 120.400 0.010 0.000 2.412 191 K HA 0.166 4.487 4.320 0.002 0.000 0.201 191 K C 1.297 177.903 176.600 0.011 0.000 1.275 191 K CA 0.336 56.625 56.287 0.003 0.000 0.910 191 K CB 2.187 34.681 32.500 -0.011 0.000 1.346 191 K HN -0.253 7.806 8.250 0.015 0.200 0.490 192 L N -1.245 119.990 121.223 0.021 0.000 2.131 192 L HA -0.250 4.109 4.340 0.032 0.000 0.206 192 L C 1.083 177.982 176.870 0.049 0.000 1.087 192 L CA 2.985 57.848 54.840 0.039 0.000 0.767 192 L CB -0.116 41.981 42.059 0.062 0.000 0.917 192 L HN 0.469 8.602 8.230 0.019 0.109 0.441 193 K N -1.403 119.027 120.400 0.050 0.000 2.002 193 K HA -0.125 4.232 4.320 0.062 0.000 0.209 193 K C 0.952 177.573 176.600 0.035 0.000 1.048 193 K CA 3.626 59.944 56.287 0.051 0.000 0.930 193 K CB -2.772 29.761 32.500 0.055 0.000 0.714 193 K HN -0.199 8.080 8.250 0.048 0.000 0.438 194 P HA -0.139 4.289 4.420 0.013 0.000 0.221 194 P C 0.209 177.518 177.300 0.016 0.000 1.145 194 P CA 2.090 65.198 63.100 0.015 0.000 0.795 194 P CB -0.632 31.074 31.700 0.009 0.000 0.775 195 L N -4.994 116.241 121.223 0.020 0.000 2.313 195 L HA -0.086 4.262 4.340 0.013 0.000 0.214 195 L C -0.276 176.609 176.870 0.024 0.000 1.119 195 L CA 0.347 55.199 54.840 0.019 0.000 0.809 195 L CB 0.854 42.926 42.059 0.022 0.000 0.933 195 L HN -0.744 7.367 8.230 0.023 0.133 0.449 196 I N -4.833 115.756 120.570 0.031 0.000 7.179 196 I HA -0.343 3.850 4.170 0.039 0.000 0.126 196 I C -0.478 175.662 176.117 0.038 0.000 1.827 196 I CA 0.518 61.838 61.300 0.033 0.000 2.067 196 I CB -3.177 34.837 38.000 0.024 0.000 3.592 196 I HN -0.272 7.793 8.210 0.033 0.165 0.178 197 K N -0.948 119.483 120.400 0.051 0.000 2.564 197 K HA 0.177 4.527 4.320 0.050 0.000 0.201 197 K C -0.791 175.855 176.600 0.076 0.000 1.086 197 K CA -0.262 56.061 56.287 0.060 0.000 1.062 197 K CB 0.975 33.514 32.500 0.066 0.000 0.849 197 K HN 0.151 8.435 8.250 0.057 0.000 0.529 198 V N -3.500 116.457 119.914 0.071 0.000 2.973 198 V HA 0.584 4.852 4.120 0.079 -0.101 0.314 198 V C -0.917 175.212 176.094 0.058 0.000 1.066 198 V CA -2.643 59.700 62.300 0.072 0.000 1.021 198 V CB 1.538 33.408 31.823 0.079 0.000 1.076 198 V HN -0.706 7.522 8.190 0.064 0.000 0.462 199 I N 1.535 122.133 120.570 0.046 0.000 2.822 199 I HA 0.237 4.435 4.170 0.046 0.000 0.312 199 I C 0.170 176.309 176.117 0.038 0.000 1.011 199 I CA -1.603 59.721 61.300 0.040 0.000 1.105 199 I CB 2.265 40.283 38.000 0.029 0.000 1.291 199 I HN 0.187 8.420 8.210 0.037 0.000 0.474 200 E N 3.408 123.632 120.200 0.040 0.000 2.614 200 E HA -0.061 4.330 4.350 0.068 0.000 0.321 200 E C -0.992 175.629 176.600 0.034 0.000 1.354 200 E CA 0.450 56.880 56.400 0.050 0.000 1.469 200 E CB -2.289 27.441 29.700 0.050 0.000 1.197 200 E HN 0.369 8.752 8.360 0.039 0.000 0.497 201 S N 0.445 116.155 115.700 0.016 0.000 2.357 201 S HA 0.159 4.625 4.470 -0.005 0.000 0.209 201 S C -2.121 172.443 174.600 -0.060 0.000 0.981 201 S CA 0.603 58.793 58.200 -0.017 0.000 1.106 201 S CB 0.938 64.121 63.200 -0.029 0.000 1.266 201 S HN 0.185 8.439 8.310 0.020 0.067 0.410 202 E N 4.702 124.840 120.200 -0.103 0.000 2.416 202 E HA 0.888 5.320 4.350 -0.196 -0.200 0.273 202 E C -2.491 173.875 176.600 -0.389 0.000 0.935 202 E CA -1.695 54.547 56.400 -0.262 0.000 0.784 202 E CB 5.148 34.632 29.700 -0.361 0.000 1.301 202 E HN -0.239 8.087 8.360 -0.057 0.000 0.454 203 D N -1.217 118.909 120.400 -0.457 0.000 2.375 203 D HA 0.416 4.907 4.640 -0.248 0.000 0.247 203 D C -1.193 174.844 176.300 -0.438 0.000 1.061 203 D CA -1.375 52.424 54.000 -0.335 0.000 0.834 203 D CB 3.022 43.736 40.800 -0.144 0.000 1.247 203 D HN 0.290 8.418 8.370 -0.403 0.000 0.489 204 Y N 3.486 123.828 120.300 0.069 0.000 2.734 204 Y HA 0.294 4.903 4.550 0.098 0.000 0.278 204 Y C -0.201 175.738 175.900 0.065 0.000 1.108 204 Y CA -1.440 56.719 58.100 0.099 0.000 1.211 204 Y CB 0.071 38.648 38.460 0.195 0.000 1.182 204 Y HN 0.276 8.570 8.280 0.024 0.000 0.547 205 G N 0.494 109.364 108.800 0.117 0.000 3.380 205 G HA2 0.007 4.021 3.960 0.089 0.000 0.188 205 G HA3 0.007 3.996 3.960 0.048 0.000 0.188 205 G C 0.037 174.977 174.900 0.068 0.000 1.892 205 G CA 0.219 45.366 45.100 0.079 0.000 0.912 205 G HN 0.114 8.680 8.290 0.055 -0.244 0.609 206 Q N -0.918 118.907 119.800 0.041 0.000 2.376 206 Q HA 0.152 4.518 4.340 0.043 0.000 0.206 206 Q C -1.028 174.992 176.000 0.032 0.000 0.921 206 Q CA 1.177 57.001 55.803 0.036 0.000 0.911 206 Q CB 0.720 29.473 28.738 0.025 0.000 1.032 206 Q HN 0.274 8.562 8.270 0.030 0.000 0.510 207 Q N -2.719 117.095 119.800 0.024 0.000 2.325 207 Q HA 0.421 4.942 4.340 0.025 -0.165 0.270 207 Q C -0.997 175.006 176.000 0.005 0.000 1.020 207 Q CA -2.309 53.504 55.803 0.018 0.000 0.785 207 Q CB 1.557 30.301 28.738 0.010 0.000 1.259 207 Q HN -0.541 7.708 8.270 0.020 0.033 0.452 208 L N 7.439 128.672 121.223 0.016 0.000 2.384 208 L HA 0.246 4.810 4.340 -0.049 -0.253 0.258 208 L C -1.281 175.582 176.870 -0.012 0.000 1.266 208 L CA -0.869 53.968 54.840 -0.005 0.000 1.162 208 L CB -0.479 41.604 42.059 0.040 0.000 1.375 208 L HN 0.174 8.423 8.230 0.030 0.000 0.420 209 E N 4.001 124.168 120.200 -0.056 0.000 2.217 209 E HA 0.201 4.913 4.350 0.009 -0.356 0.279 209 E C -0.460 176.098 176.600 -0.071 0.000 1.068 209 E CA -0.225 56.148 56.400 -0.045 0.000 0.882 209 E CB 0.463 30.122 29.700 -0.068 0.000 1.039 209 E HN -0.486 7.786 8.360 -0.084 0.038 0.418 210 I N 4.999 125.568 120.570 -0.000 0.000 2.436 210 I HA 0.203 4.344 4.170 -0.049 0.000 0.289 210 I C -1.219 174.836 176.117 -0.102 0.000 1.010 210 I CA -1.029 60.276 61.300 0.007 0.000 1.098 210 I CB 3.299 41.387 38.000 0.146 0.000 1.266 210 I HN -0.050 8.201 8.210 0.068 0.000 0.434 211 V N 7.856 127.701 119.914 -0.115 0.000 2.339 211 V HA 0.429 4.600 4.120 -0.337 -0.253 0.261 211 V C -1.344 174.692 176.094 -0.096 0.000 1.058 211 V CA -0.516 61.676 62.300 -0.181 0.000 0.897 211 V CB 0.276 32.025 31.823 -0.123 0.000 1.052 211 V HN 0.018 8.166 8.190 -0.071 0.000 0.480 212 C N 8.805 128.024 119.300 -0.135 0.000 2.381 212 C HA 0.397 4.897 4.460 0.065 0.000 0.328 212 C C -2.106 172.917 174.990 0.054 0.000 1.190 212 C CA -1.596 57.457 59.018 0.059 0.000 1.369 212 C CB 1.363 29.268 27.740 0.276 0.000 2.029 212 C HN 0.009 7.994 8.230 -0.408 0.000 0.448 213 L N 9.326 130.600 121.223 0.084 0.000 2.641 213 L HA 0.343 4.766 4.340 0.139 0.000 0.261 213 L C -1.977 175.041 176.870 0.247 0.000 0.926 213 L CA 0.046 54.954 54.840 0.114 0.000 0.917 213 L CB 2.919 44.972 42.059 -0.010 0.000 1.361 213 L HN 0.522 8.810 8.230 0.098 0.000 0.417 214 I N 2.829 123.540 120.570 0.236 0.000 3.660 214 I HA 0.297 4.585 4.170 0.197 0.000 0.285 214 I C -0.301 175.989 176.117 0.290 0.000 1.266 214 I CA -1.463 59.964 61.300 0.211 0.000 0.987 214 I CB 2.576 40.641 38.000 0.108 0.000 1.417 214 I HN 0.228 8.556 8.210 0.196 0.000 0.590 215 D N 2.074 122.532 120.400 0.097 0.000 2.443 215 D HA 0.181 4.925 4.640 0.173 0.000 0.239 215 D C -0.101 176.308 176.300 0.181 0.000 1.136 215 D CA -0.678 53.387 54.000 0.109 0.000 0.879 215 D CB -0.598 40.201 40.800 -0.001 0.000 1.195 215 D HN 0.108 8.480 8.370 0.003 0.000 0.443 216 P HA -0.161 4.379 4.420 0.199 0.000 0.219 216 P C 1.184 178.623 177.300 0.232 0.000 1.146 216 P CA 1.390 64.586 63.100 0.160 0.000 0.808 216 P CB 0.314 32.041 31.700 0.044 0.000 0.779 217 G N -0.362 108.539 108.800 0.169 0.000 2.432 217 G HA2 -0.216 3.856 3.960 0.186 0.000 0.219 217 G HA3 -0.216 3.946 3.960 0.124 -0.128 0.219 217 G C 0.228 175.244 174.900 0.194 0.000 1.135 217 G CA 1.734 46.937 45.100 0.172 0.000 0.767 217 G HN 0.562 8.811 8.290 0.126 0.117 0.550 218 C N 1.373 120.773 119.300 0.167 0.000 2.647 218 C HA 0.357 4.856 4.460 0.064 0.000 0.296 218 C C -0.651 174.401 174.990 0.103 0.000 1.403 218 C CA -2.488 56.590 59.018 0.100 0.000 1.781 218 C CB -0.660 27.116 27.740 0.060 0.000 2.464 218 C HN -0.504 7.703 8.230 0.163 0.122 0.559 219 F N 2.366 122.343 119.950 0.045 0.000 2.216 219 F HA -0.301 4.261 4.527 0.058 0.000 0.300 219 F C 0.769 176.592 175.800 0.039 0.000 1.085 219 F CA 3.283 61.312 58.000 0.049 0.000 1.326 219 F CB -0.490 38.539 39.000 0.048 0.000 1.027 219 F HN -0.399 7.998 8.300 0.480 0.190 0.497 220 R N -1.213 118.702 120.500 -0.975 0.000 2.236 220 R HA -0.270 3.471 4.340 -0.998 0.000 0.208 220 R C 1.456 177.552 176.300 -0.340 0.000 1.036 220 R CA 2.573 58.160 56.100 -0.854 0.000 1.001 220 R CB -0.372 29.486 30.300 -0.736 0.000 0.896 220 R HN 0.197 8.014 8.270 -0.717 0.023 0.464 221 E N -1.726 118.355 120.200 -0.199 0.000 2.318 221 E HA -0.106 4.450 4.350 -0.104 -0.268 0.193 221 E C 0.946 177.512 176.600 -0.057 0.000 0.998 221 E CA 1.794 58.136 56.400 -0.098 0.000 0.859 221 E CB 0.493 30.162 29.700 -0.052 0.000 0.812 221 E HN -0.409 7.663 8.360 -0.182 0.179 0.492 222 I N -1.373 119.176 120.570 -0.035 0.000 2.810 222 I HA -0.056 4.121 4.170 0.011 0.000 0.262 222 I C 0.652 176.775 176.117 0.011 0.000 1.131 222 I CA 1.148 62.457 61.300 0.015 0.000 1.453 222 I CB 1.652 39.695 38.000 0.072 0.000 1.161 222 I HN -0.656 7.421 8.210 -0.050 0.103 0.444 223 D N -0.070 120.328 120.400 -0.002 0.000 2.264 223 D HA -0.313 4.358 4.640 0.051 0.000 0.208 223 D C 1.714 177.995 176.300 -0.032 0.000 0.966 223 D CA 3.922 57.929 54.000 0.012 0.000 0.864 223 D CB 0.003 40.831 40.800 0.046 0.000 0.933 223 D HN 0.049 8.401 8.370 -0.031 0.000 0.499 224 E N -2.511 117.648 120.200 -0.069 0.000 2.209 224 E HA -0.320 3.991 4.350 -0.066 0.000 0.196 224 E C 0.969 177.541 176.600 -0.046 0.000 0.993 224 E CA 2.397 58.757 56.400 -0.066 0.000 0.819 224 E CB -0.371 29.282 29.700 -0.078 0.000 0.745 224 E HN -0.153 8.114 8.360 -0.090 0.039 0.477 225 L N -8.017 113.183 121.223 -0.038 0.000 2.467 225 L HA 0.252 4.568 4.340 -0.040 0.000 0.213 225 L C 1.524 178.362 176.870 -0.053 0.000 1.053 225 L CA 1.813 56.629 54.840 -0.039 0.000 0.847 225 L CB 0.963 43.005 42.059 -0.030 0.000 1.075 225 L HN -0.777 7.404 8.230 -0.033 0.029 0.479 226 I N 1.095 121.637 120.570 -0.048 0.000 2.335 226 I HA -0.520 3.562 4.170 -0.147 0.000 0.251 226 I C 1.750 177.797 176.117 -0.117 0.000 1.129 226 I CA 2.521 63.764 61.300 -0.095 0.000 1.402 226 I CB -1.511 36.476 38.000 -0.021 0.000 1.069 226 I HN -0.053 8.143 8.210 -0.023 0.000 0.424 227 K N -2.225 118.141 120.400 -0.058 0.000 2.160 227 K HA -0.361 3.938 4.320 -0.035 0.000 0.206 227 K C 0.913 177.476 176.600 -0.062 0.000 1.047 227 K CA 3.207 59.467 56.287 -0.045 0.000 0.930 227 K CB -0.389 32.098 32.500 -0.022 0.000 0.720 227 K HN 0.260 8.366 8.250 -0.038 0.121 0.450 228 K N -5.712 114.647 120.400 -0.069 0.000 2.399 228 K HA 0.071 4.356 4.320 -0.058 0.000 0.196 228 K C 2.106 178.656 176.600 -0.083 0.000 1.117 228 K CA 0.586 56.834 56.287 -0.064 0.000 0.965 228 K CB -0.120 32.353 32.500 -0.046 0.000 0.983 228 K HN -0.620 7.457 8.250 -0.068 0.132 0.531 229 E N -0.773 119.364 120.200 -0.105 0.000 2.072 229 E HA -0.157 4.142 4.350 -0.084 0.000 0.191 229 E C 0.928 177.426 176.600 -0.170 0.000 0.985 229 E CA 2.667 58.997 56.400 -0.117 0.000 0.801 229 E CB 0.438 30.071 29.700 -0.111 0.000 0.750 229 E HN 0.005 8.303 8.360 -0.103 0.000 0.452 230 T N -3.645 110.745 114.554 -0.274 0.000 3.168 230 T HA 0.089 4.297 4.350 -0.235 0.000 0.261 230 T C 0.543 175.053 174.700 -0.316 0.000 0.931 230 T CA 1.737 63.615 62.100 -0.369 0.000 0.949 230 T CB 0.552 68.978 68.868 -0.737 0.000 1.229 230 T HN -0.147 7.925 8.240 -0.279 0.000 0.504 231 K N 2.580 122.799 120.400 -0.301 0.000 2.063 231 K HA -0.194 4.063 4.320 -0.106 0.000 0.208 231 K C 1.183 177.740 176.600 -0.072 0.000 1.048 231 K CA 3.176 59.380 56.287 -0.138 0.000 0.928 231 K CB 0.051 32.507 32.500 -0.074 0.000 0.713 231 K HN -0.014 8.033 8.250 -0.339 0.000 0.442 232 G N -3.971 104.783 108.800 -0.076 0.000 3.474 232 G HA2 0.033 3.975 3.960 -0.030 0.000 0.269 232 G HA3 0.033 3.967 3.960 -0.043 0.000 0.269 232 G C -1.116 173.757 174.900 -0.046 0.000 1.339 232 G CA -0.027 45.045 45.100 -0.046 0.000 1.258 232 G HN -0.414 7.817 8.290 -0.099 0.000 0.560 233 K N -0.331 120.038 120.400 -0.052 0.000 3.080 233 K HA 0.087 4.390 4.320 -0.028 0.000 0.200 233 K C -0.476 176.110 176.600 -0.023 0.000 1.741 233 K CA 0.159 56.422 56.287 -0.040 0.000 1.386 233 K CB 1.530 33.997 32.500 -0.055 0.000 2.059 233 K HN -0.861 7.237 8.250 -0.060 0.116 0.612 234 G N -0.240 108.544 108.800 -0.028 0.000 2.938 234 G HA2 0.358 4.327 3.960 0.015 0.000 0.258 234 G HA3 0.358 4.332 3.960 0.024 0.000 0.258 234 G C -0.984 173.940 174.900 0.039 0.000 1.356 234 G CA -1.049 44.058 45.100 0.012 0.000 1.052 234 G HN 0.081 8.222 8.290 -0.063 0.111 0.550 235 S N 0.231 115.975 115.700 0.074 0.000 2.525 235 S HA 0.353 4.867 4.470 0.073 0.000 0.290 235 S C -0.514 174.185 174.600 0.165 0.000 1.152 235 S CA -0.292 57.961 58.200 0.088 0.000 1.072 235 S CB 2.050 65.285 63.200 0.058 0.000 1.027 235 S HN -0.033 8.322 8.310 0.074 0.000 0.500 236 L N 0.240 121.565 121.223 0.169 0.000 2.280 236 L HA 0.523 5.057 4.340 0.324 0.000 0.287 236 L C -0.869 176.042 176.870 0.068 0.000 1.023 236 L CA -1.012 53.960 54.840 0.219 0.000 0.819 236 L CB 1.034 43.266 42.059 0.289 0.000 1.212 236 L HN 0.315 8.617 8.230 0.120 0.000 0.420 237 E N 5.233 125.429 120.200 -0.007 0.000 2.221 237 E HA 0.379 4.719 4.350 -0.018 0.000 0.268 237 E C -1.582 174.963 176.600 -0.092 0.000 0.933 237 E CA -2.431 53.945 56.400 -0.041 0.000 0.809 237 E CB 3.627 33.304 29.700 -0.039 0.000 1.190 237 E HN 0.822 9.053 8.360 -0.038 0.106 0.406 238 V N 0.954 120.825 119.914 -0.072 0.000 2.644 238 V HA 0.278 4.329 4.120 -0.116 0.000 0.295 238 V C -1.306 174.734 176.094 -0.090 0.000 1.053 238 V CA -2.010 60.237 62.300 -0.089 0.000 0.987 238 V CB 0.848 32.632 31.823 -0.066 0.000 1.006 238 V HN 0.218 8.378 8.190 -0.050 0.000 0.472 239 L N 5.890 127.050 121.223 -0.106 0.000 2.297 239 L HA 0.317 4.610 4.340 -0.079 0.000 0.277 239 L C -1.479 175.344 176.870 -0.079 0.000 1.040 239 L CA -0.706 54.079 54.840 -0.092 0.000 0.867 239 L CB 0.192 42.188 42.059 -0.106 0.000 1.244 239 L HN 0.461 8.518 8.230 -0.123 0.100 0.433 240 N N 4.824 123.487 118.700 -0.062 0.000 2.181 240 N HA -0.012 4.693 4.740 -0.059 0.000 0.207 240 N C -0.899 174.586 175.510 -0.042 0.000 1.182 240 N CA 0.100 53.119 53.050 -0.053 0.000 0.893 240 N CB 0.423 38.882 38.487 -0.047 0.000 1.032 240 N HN 0.163 8.509 8.380 -0.057 0.000 0.513 241 L N 1.460 122.659 121.223 -0.040 0.000 2.277 241 L HA 0.175 4.498 4.340 -0.028 0.000 0.284 241 L C -0.127 176.725 176.870 -0.030 0.000 1.028 241 L CA -0.161 54.660 54.840 -0.031 0.000 0.835 241 L CB -0.244 41.798 42.059 -0.028 0.000 1.215 241 L HN -0.306 7.897 8.230 -0.045 0.000 0.425 242 K N 3.056 123.441 120.400 -0.026 0.000 2.372 242 K HA 0.151 4.457 4.320 -0.024 0.000 0.200 242 K C -0.382 176.208 176.600 -0.016 0.000 1.022 242 K CA -0.139 56.135 56.287 -0.022 0.000 1.125 242 K CB 0.098 32.585 32.500 -0.020 0.000 0.855 242 K HN 0.278 8.514 8.250 -0.024 0.000 0.524 243 D N -2.188 118.202 120.400 -0.016 0.000 2.402 243 D HA -0.029 4.605 4.640 -0.010 0.000 0.216 243 D C -0.088 176.204 176.300 -0.012 0.000 1.128 243 D CA -0.223 53.770 54.000 -0.012 0.000 0.833 243 D CB 0.176 40.969 40.800 -0.011 0.000 0.971 243 D HN -0.192 8.093 8.370 -0.018 0.075 0.503 244 V N -0.712 119.193 119.914 -0.015 0.000 3.158 244 V HA 0.197 4.309 4.120 -0.013 0.000 0.315 244 V C -1.442 174.642 176.094 -0.016 0.000 1.148 244 V CA -2.131 60.160 62.300 -0.015 0.000 1.042 244 V CB 3.018 34.830 31.823 -0.018 0.000 1.101 244 V HN -0.841 7.259 8.190 -0.018 0.080 0.448 245 E N 1.763 121.954 120.200 -0.015 0.000 2.328 245 E HA -0.085 4.258 4.350 -0.012 0.000 0.265 245 E C -0.087 176.500 176.600 -0.021 0.000 1.057 245 E CA 0.569 56.960 56.400 -0.015 0.000 0.916 245 E CB -0.235 29.457 29.700 -0.013 0.000 0.993 245 E HN 0.230 8.582 8.360 -0.014 0.000 0.446 246 E N 4.511 124.699 120.200 -0.021 0.000 2.112 246 E HA -0.123 4.206 4.350 -0.036 0.000 0.190 246 E C 0.208 176.787 176.600 -0.036 0.000 0.979 246 E CA 1.006 57.389 56.400 -0.030 0.000 0.814 246 E CB 0.912 30.597 29.700 -0.025 0.000 0.762 246 E HN 0.334 8.685 8.360 -0.015 0.000 0.460 247 G N -2.422 106.363 108.800 -0.026 0.000 2.374 247 G HA2 -0.119 3.823 3.960 -0.031 0.000 0.067 247 G HA3 -0.119 3.809 3.960 -0.053 0.000 0.067 247 G C -1.989 172.908 174.900 -0.006 0.000 1.023 247 G CA -0.603 44.479 45.100 -0.031 0.000 1.131 247 G HN -0.713 7.567 8.290 -0.016 0.000 0.436 248 D N 3.372 123.776 120.400 0.006 0.000 2.505 248 D HA 0.447 5.121 4.640 0.057 0.000 0.249 248 D C -1.015 175.349 176.300 0.108 0.000 1.082 248 D CA -0.157 53.888 54.000 0.075 0.000 0.839 248 D CB 2.874 43.775 40.800 0.169 0.000 1.317 248 D HN 0.157 8.402 8.370 -0.035 0.104 0.497 249 E N 0.190 120.452 120.200 0.102 0.000 2.526 249 E HA 0.152 4.569 4.350 0.113 0.000 0.208 249 E C -0.349 176.328 176.600 0.128 0.000 0.997 249 E CA -0.125 56.337 56.400 0.104 0.000 0.961 249 E CB 0.321 30.059 29.700 0.063 0.000 1.030 249 E HN 0.381 8.790 8.360 0.082 0.000 0.483 250 K N -1.183 119.307 120.400 0.149 0.000 2.578 250 K HA 0.064 4.485 4.320 0.168 0.000 0.269 250 K C -1.699 175.009 176.600 0.179 0.000 0.941 250 K CA 0.033 56.411 56.287 0.152 0.000 0.847 250 K CB 1.621 34.178 32.500 0.094 0.000 1.397 250 K HN -0.759 7.523 8.250 0.147 0.056 0.422 251 F N 1.955 121.914 119.950 0.015 0.000 2.789 251 F HA 0.067 4.591 4.527 -0.005 0.000 0.300 251 F C -0.187 175.608 175.800 -0.008 0.000 1.132 251 F CA 1.046 59.033 58.000 -0.021 0.000 1.404 251 F CB 0.708 39.654 39.000 -0.090 0.000 1.114 251 F HN 0.010 8.478 8.300 0.281 0.000 0.584 252 E N 0.000 120.256 120.200 0.093 0.000 2.725 252 E HA 0.000 4.360 4.350 0.017 0.000 0.291 252 E CA 0.000 56.423 56.400 0.039 0.000 0.976 252 E CB 0.000 29.737 29.700 0.062 0.000 0.812 252 E HN 0.000 8.368 8.360 0.121 0.065 0.440