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 1dgv_1_A DATA FIRST_RESID 1 DATA SEQUENCE SKELLAEYQD LTFLTKQEIL LAHRRFCELL PQEQRSVESS LRAQVPFEQI DATA SEQUENCE LSLPELKANP FKERICRVFS TSPAKDSLSF EDFLDLLSVF SDTATPDIKS DATA SEQUENCE HYAFRIFDFD DDGTLNREDL SRLVNCLTGE GEDTRLSASE MKQLIDNILE DATA SEQUENCE ESDIDRDGTI NLSEFQHVIS RSPDFASSFK IVL 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 S HA 0.000 4.854 4.470 0.641 0.000 0.327 1 S C 0.000 174.882 174.600 0.470 0.000 1.055 1 S CA 0.000 58.531 58.200 0.552 0.000 1.107 1 S CB 0.000 63.506 63.200 0.510 0.000 0.593 2 K N 1.542 122.117 120.400 0.291 0.000 2.155 2 K HA -0.144 4.254 4.320 0.131 0.000 0.203 2 K C 0.249 176.992 176.600 0.238 0.000 1.052 2 K CA 1.371 57.772 56.287 0.190 0.000 0.948 2 K CB 0.270 32.818 32.500 0.080 0.000 0.728 2 K HN 0.001 8.399 8.250 0.246 0.000 0.448 3 E N -3.099 117.223 120.200 0.203 0.000 2.283 3 E HA 0.106 4.500 4.350 0.072 0.000 0.271 3 E C -0.795 175.821 176.600 0.027 0.000 1.031 3 E CA -1.458 55.011 56.400 0.116 0.000 0.868 3 E CB 0.492 30.261 29.700 0.116 0.000 1.094 3 E HN -0.092 8.415 8.360 0.244 0.000 0.401 4 L N 3.089 124.236 121.223 -0.125 0.000 2.556 4 L HA 0.112 4.305 4.340 -0.246 0.000 0.245 4 L C -1.053 175.859 176.870 0.069 0.000 1.174 4 L CA 0.545 55.284 54.840 -0.169 0.000 1.117 4 L CB -1.423 40.413 42.059 -0.372 0.000 1.409 4 L HN 0.615 8.785 8.230 -0.100 0.000 0.411 5 L N 1.392 122.778 121.223 0.272 0.000 2.186 5 L HA 0.283 4.698 4.340 0.126 0.000 0.182 5 L C -0.964 175.997 176.870 0.152 0.000 1.190 5 L CA 0.588 55.530 54.840 0.170 0.000 1.051 5 L CB 2.486 44.599 42.059 0.091 0.000 2.162 5 L HN -0.072 8.630 8.230 0.477 -0.186 0.494 6 A N 0.371 123.227 122.820 0.059 0.000 2.671 6 A HA 0.072 4.362 4.320 -0.051 0.000 0.306 6 A C -1.223 176.168 177.584 -0.321 0.000 1.473 6 A CA -0.570 51.401 52.037 -0.111 0.000 1.155 6 A CB -1.144 17.799 19.000 -0.095 0.000 1.123 6 A HN 0.160 8.791 8.150 0.140 -0.397 0.545 7 E N 2.969 123.069 120.200 -0.168 0.000 2.252 7 E HA -0.441 3.873 4.350 -0.060 0.000 0.199 7 E C -1.885 174.573 176.600 -0.237 0.000 1.352 7 E CA 0.143 56.450 56.400 -0.156 0.000 0.682 7 E CB -0.692 28.935 29.700 -0.122 0.000 1.142 7 E HN -0.081 8.246 8.360 -0.055 0.000 0.367 8 Y N 0.326 120.627 120.300 0.001 0.000 2.627 8 Y HA 0.094 4.801 4.550 -0.017 -0.168 0.347 8 Y C 0.031 175.906 175.900 -0.040 0.000 1.099 8 Y CA -0.875 57.216 58.100 -0.015 0.000 1.408 8 Y CB -0.721 37.742 38.460 0.005 0.000 1.247 8 Y HN 0.084 8.420 8.280 0.094 0.000 0.506 9 Q N 5.738 125.560 119.800 0.037 0.000 2.513 9 Q HA -0.108 4.234 4.340 0.004 0.000 0.227 9 Q C -0.676 175.319 176.000 -0.008 0.000 1.257 9 Q CA 0.323 56.129 55.803 0.005 0.000 0.915 9 Q CB -0.451 28.277 28.738 -0.016 0.000 1.507 9 Q HN -0.180 8.320 8.270 -0.012 -0.237 0.543 10 D N 6.733 127.121 120.400 -0.019 0.000 2.400 10 D HA 0.262 5.054 4.640 -0.071 -0.195 0.272 10 D C -0.701 175.548 176.300 -0.085 0.000 1.220 10 D CA -0.364 53.599 54.000 -0.062 0.000 0.897 10 D CB 1.217 41.967 40.800 -0.083 0.000 1.134 10 D HN -0.185 8.145 8.370 0.003 0.042 0.507 11 L N 4.052 125.217 121.223 -0.097 0.000 2.462 11 L HA 0.080 4.335 4.340 -0.142 0.000 0.283 11 L C -0.655 176.079 176.870 -0.228 0.000 1.166 11 L CA 0.415 55.168 54.840 -0.144 0.000 0.964 11 L CB -1.656 40.330 42.059 -0.122 0.000 1.294 11 L HN 0.291 8.474 8.230 -0.078 0.000 0.449 12 T N -1.862 112.534 114.554 -0.264 0.000 2.900 12 T HA 0.270 4.449 4.350 -0.285 0.000 0.303 12 T C 0.214 174.730 174.700 -0.308 0.000 1.142 12 T CA -2.248 59.697 62.100 -0.259 0.000 1.007 12 T CB 2.654 71.445 68.868 -0.129 0.000 1.156 12 T HN -0.593 7.522 8.240 -0.208 0.000 0.490 13 F N 2.324 122.253 119.950 -0.035 0.000 2.740 13 F HA 0.111 4.626 4.527 -0.020 0.000 0.294 13 F C -1.057 174.728 175.800 -0.025 0.000 1.225 13 F CA 0.162 58.146 58.000 -0.026 0.000 1.426 13 F CB -0.778 38.208 39.000 -0.022 0.000 1.021 13 F HN 0.233 8.568 8.300 0.059 0.000 0.508 14 L N -0.792 120.469 121.223 0.064 0.000 2.356 14 L HA 0.259 4.636 4.340 0.060 0.000 0.277 14 L C -0.006 176.876 176.870 0.021 0.000 0.996 14 L CA -2.048 52.817 54.840 0.042 0.000 0.822 14 L CB 0.803 42.871 42.059 0.016 0.000 1.256 14 L HN -0.836 7.286 8.230 0.000 0.108 0.413 15 T N 1.154 115.727 114.554 0.030 0.000 2.766 15 T HA 0.127 4.484 4.350 0.012 0.000 0.295 15 T C 0.883 175.596 174.700 0.021 0.000 1.024 15 T CA -0.875 61.238 62.100 0.021 0.000 1.018 15 T CB 1.409 70.292 68.868 0.025 0.000 1.002 15 T HN 0.374 8.958 8.240 0.041 -0.320 0.532 16 K N 0.054 120.464 120.400 0.016 0.000 2.089 16 K HA -0.437 3.891 4.320 0.014 0.000 0.210 16 K C 2.671 179.287 176.600 0.026 0.000 1.048 16 K CA 4.465 60.762 56.287 0.016 0.000 0.926 16 K CB -0.379 32.127 32.500 0.009 0.000 0.714 16 K HN 0.435 8.692 8.250 0.012 0.000 0.448 17 Q N -1.647 118.170 119.800 0.028 0.000 2.083 17 Q HA -0.216 4.146 4.340 0.036 0.000 0.198 17 Q C 2.015 178.046 176.000 0.051 0.000 0.969 17 Q CA 2.656 58.480 55.803 0.036 0.000 0.838 17 Q CB -0.715 28.041 28.738 0.029 0.000 0.900 17 Q HN 0.199 8.484 8.270 0.024 0.000 0.436 18 E N 0.971 121.202 120.200 0.051 0.000 2.085 18 E HA -0.378 4.010 4.350 0.064 0.000 0.194 18 E C 2.577 179.233 176.600 0.093 0.000 0.994 18 E CA 2.934 59.372 56.400 0.062 0.000 0.801 18 E CB -0.271 29.458 29.700 0.048 0.000 0.743 18 E HN -0.478 7.907 8.360 0.041 0.000 0.453 19 I N -0.595 120.029 120.570 0.091 0.000 2.118 19 I HA -0.515 3.768 4.170 0.189 0.000 0.241 19 I C 1.951 178.194 176.117 0.209 0.000 1.070 19 I CA 3.878 65.268 61.300 0.151 0.000 1.327 19 I CB -0.275 37.777 38.000 0.087 0.000 1.034 19 I HN 0.056 8.303 8.210 0.061 0.000 0.405 20 L N -0.005 121.290 121.223 0.120 0.000 2.012 20 L HA -0.317 4.088 4.340 0.109 0.000 0.210 20 L C 1.701 178.647 176.870 0.128 0.000 1.073 20 L CA 3.307 58.210 54.840 0.106 0.000 0.748 20 L CB -0.271 41.820 42.059 0.053 0.000 0.891 20 L HN -0.552 7.728 8.230 0.083 0.000 0.431 21 L N -2.060 119.230 121.223 0.112 0.000 1.989 21 L HA -0.549 3.841 4.340 0.084 0.000 0.211 21 L C 1.867 178.837 176.870 0.168 0.000 1.071 21 L CA 3.457 58.362 54.840 0.109 0.000 0.749 21 L CB -1.014 41.096 42.059 0.085 0.000 0.890 21 L HN 0.196 8.485 8.230 0.099 0.000 0.431 22 A N -1.831 121.134 122.820 0.240 0.000 1.917 22 A HA -0.462 4.120 4.320 0.436 0.000 0.219 22 A C 1.805 179.704 177.584 0.524 0.000 1.182 22 A CA 3.128 55.420 52.037 0.424 0.000 0.633 22 A CB -1.248 17.983 19.000 0.386 0.000 0.819 22 A HN 0.173 8.443 8.150 0.200 0.000 0.448 23 H N -0.019 119.207 119.070 0.259 0.000 2.319 23 H HA -0.433 3.874 4.556 -0.415 0.000 0.299 23 H C 2.525 177.798 175.328 -0.091 0.000 1.092 23 H CA 4.496 60.435 56.048 -0.181 0.000 1.302 23 H CB 0.380 29.868 29.762 -0.457 0.000 1.373 23 H HN 0.233 8.661 8.280 0.420 0.104 0.497 24 R N -1.522 118.933 120.500 -0.075 0.000 2.096 24 R HA -0.454 3.780 4.340 -0.176 0.000 0.240 24 R C 2.571 178.820 176.300 -0.085 0.000 1.139 24 R CA 3.946 59.987 56.100 -0.097 0.000 0.952 24 R CB -0.337 29.955 30.300 -0.013 0.000 0.854 24 R HN -0.018 8.291 8.270 0.065 0.000 0.436 25 R N -0.732 119.776 120.500 0.014 0.000 2.080 25 R HA -0.261 4.078 4.340 -0.002 0.000 0.236 25 R C 2.413 178.642 176.300 -0.119 0.000 1.137 25 R CA 3.049 59.167 56.100 0.030 0.000 0.943 25 R CB -0.648 29.772 30.300 0.200 0.000 0.846 25 R HN -0.107 8.212 8.270 0.082 0.000 0.431 26 F N 1.321 121.003 119.950 -0.448 0.000 2.120 26 F HA -0.327 3.712 4.527 -0.814 0.000 0.300 26 F C 1.914 177.438 175.800 -0.460 0.000 1.095 26 F CA 3.570 61.166 58.000 -0.673 0.000 1.249 26 F CB -0.015 38.553 39.000 -0.720 0.000 0.995 26 F HN 0.001 8.304 8.300 0.005 0.000 0.480 27 C N -1.994 117.043 119.300 -0.440 0.000 2.429 27 C HA -0.421 3.784 4.460 -0.424 0.000 0.277 27 C C 1.667 176.482 174.990 -0.291 0.000 1.262 27 C CA 4.733 63.512 59.018 -0.398 0.000 1.733 27 C CB -0.654 26.852 27.740 -0.390 0.000 2.010 27 C HN 0.417 8.294 8.230 -0.409 0.107 0.483 28 E N -0.548 119.519 120.200 -0.222 0.000 2.085 28 E HA -0.298 3.968 4.350 -0.141 0.000 0.194 28 E C 1.592 178.079 176.600 -0.188 0.000 0.994 28 E CA 2.386 58.688 56.400 -0.163 0.000 0.801 28 E CB -0.013 29.625 29.700 -0.103 0.000 0.743 28 E HN -0.612 7.620 8.360 -0.212 0.000 0.453 29 L N -2.500 118.574 121.223 -0.248 0.000 2.079 29 L HA -0.261 3.976 4.340 -0.172 0.000 0.210 29 L C 1.468 178.123 176.870 -0.358 0.000 1.081 29 L CA 2.657 57.328 54.840 -0.281 0.000 0.752 29 L CB 0.009 41.875 42.059 -0.321 0.000 0.896 29 L HN -0.114 7.957 8.230 -0.264 0.000 0.433 30 L N -4.159 116.777 121.223 -0.479 0.000 1.994 30 L HA -0.163 3.893 4.340 -0.474 0.000 0.208 30 L C -0.998 175.731 176.870 -0.236 0.000 1.071 30 L CA 3.236 57.821 54.840 -0.426 0.000 0.745 30 L CB -1.493 40.289 42.059 -0.461 0.000 0.892 30 L HN -0.305 7.582 8.230 -0.572 0.000 0.431 31 P HA 0.420 4.972 4.420 -0.112 -0.199 0.253 31 P C -1.941 175.303 177.300 -0.092 0.000 1.667 31 P CA -0.756 62.272 63.100 -0.120 0.000 1.118 31 P CB -1.108 30.528 31.700 -0.107 0.000 1.595 32 Q N 4.304 124.054 119.800 -0.083 0.000 2.419 32 Q HA 0.010 4.317 4.340 -0.054 0.000 0.187 32 Q C 1.946 177.914 176.000 -0.053 0.000 0.686 32 Q CA 1.436 57.203 55.803 -0.061 0.000 0.897 32 Q CB 1.851 30.557 28.738 -0.054 0.000 1.263 32 Q HN -0.317 7.955 8.270 -0.095 -0.058 0.457 33 E N 0.529 120.693 120.200 -0.059 0.000 2.047 33 E HA -0.245 4.078 4.350 -0.044 0.000 0.191 33 E C 1.343 177.913 176.600 -0.050 0.000 0.987 33 E CA 2.116 58.483 56.400 -0.054 0.000 0.799 33 E CB 0.356 30.017 29.700 -0.065 0.000 0.752 33 E HN -0.385 8.220 8.360 -0.069 -0.287 0.449 34 Q N -0.991 118.775 119.800 -0.057 0.000 2.681 34 Q HA 0.151 4.468 4.340 -0.039 0.000 0.222 34 Q C -0.575 175.391 176.000 -0.055 0.000 1.258 34 Q CA -0.935 54.838 55.803 -0.049 0.000 1.014 34 Q CB -0.893 27.818 28.738 -0.045 0.000 1.384 34 Q HN -0.409 7.927 8.270 -0.070 -0.108 0.570 35 R N 6.677 127.148 120.500 -0.047 0.000 2.070 35 R HA -0.266 3.936 4.340 -0.058 0.103 0.227 35 R C 0.234 176.507 176.300 -0.045 0.000 1.147 35 R CA 2.722 58.793 56.100 -0.048 0.000 0.924 35 R CB -0.293 29.984 30.300 -0.039 0.000 0.827 35 R HN -0.109 8.135 8.270 -0.042 0.000 0.431 36 S N -2.076 113.604 115.700 -0.034 0.000 2.384 36 S HA 0.002 4.452 4.470 -0.033 0.000 0.217 36 S C -0.096 174.489 174.600 -0.026 0.000 1.041 36 S CA 0.479 58.661 58.200 -0.030 0.000 0.948 36 S CB 0.361 63.547 63.200 -0.024 0.000 0.872 36 S HN 0.052 8.343 8.310 -0.031 0.000 0.512 37 V N 0.533 120.434 119.914 -0.022 0.000 2.397 37 V HA 0.051 4.162 4.120 -0.014 0.000 0.262 37 V C -0.979 175.104 176.094 -0.018 0.000 1.047 37 V CA -0.098 62.192 62.300 -0.017 0.000 1.003 37 V CB -0.042 31.774 31.823 -0.012 0.000 1.037 37 V HN -0.449 7.728 8.190 -0.022 0.000 0.480 38 E N 8.485 128.676 120.200 -0.016 0.000 1.802 38 E HA 0.118 4.454 4.350 -0.023 0.000 0.265 38 E C -0.629 175.972 176.600 0.002 0.000 1.168 38 E CA -0.304 56.088 56.400 -0.014 0.000 1.033 38 E CB -1.710 27.981 29.700 -0.015 0.000 1.095 38 E HN 0.312 8.662 8.360 -0.016 0.000 0.436 39 S N 2.653 118.353 115.700 0.000 0.000 2.452 39 S HA 0.038 4.515 4.470 0.011 0.000 0.225 39 S C 1.117 175.727 174.600 0.016 0.000 1.057 39 S CA 1.336 59.541 58.200 0.007 0.000 0.949 39 S CB 1.431 64.632 63.200 0.002 0.000 0.836 39 S HN -0.198 8.051 8.310 -0.008 0.056 0.518 40 S N 4.114 119.821 115.700 0.012 0.000 3.869 40 S HA 0.185 4.669 4.470 0.024 0.000 0.241 40 S C -0.056 174.571 174.600 0.044 0.000 1.363 40 S CA -0.990 57.223 58.200 0.021 0.000 0.894 40 S CB -1.159 62.046 63.200 0.008 0.000 1.519 40 S HN -0.536 7.901 8.310 0.003 -0.125 0.470 41 L N 4.235 125.495 121.223 0.063 0.000 1.982 41 L HA -0.158 4.255 4.340 0.122 0.000 0.206 41 L C 1.166 178.118 176.870 0.138 0.000 1.078 41 L CA 2.610 57.516 54.840 0.109 0.000 0.749 41 L CB 0.281 42.407 42.059 0.112 0.000 0.894 41 L HN -0.672 7.530 8.230 0.049 0.058 0.436 42 R N -2.384 118.178 120.500 0.103 0.000 4.154 42 R HA -0.234 4.191 4.340 0.142 0.000 0.186 42 R C -1.095 175.258 176.300 0.088 0.000 1.750 42 R CA 1.061 57.222 56.100 0.101 0.000 1.431 42 R CB -2.141 28.194 30.300 0.059 0.000 1.383 42 R HN 0.017 8.332 8.270 0.076 0.000 0.788 43 A N 0.007 122.889 122.820 0.103 0.000 2.373 43 A HA 0.114 4.609 4.320 0.071 -0.132 0.190 43 A C -1.947 175.680 177.584 0.072 0.000 1.544 43 A CA 0.854 52.935 52.037 0.072 0.000 1.699 43 A CB 1.990 21.015 19.000 0.042 0.000 1.614 43 A HN 0.615 8.759 8.150 0.135 0.087 0.667 44 Q N 0.925 120.764 119.800 0.065 0.000 2.267 44 Q HA 0.162 4.514 4.340 0.020 0.000 0.255 44 Q C -1.455 174.628 176.000 0.139 0.000 0.923 44 Q CA -0.438 55.391 55.803 0.043 0.000 0.925 44 Q CB 1.779 30.504 28.738 -0.022 0.000 1.195 44 Q HN -0.368 7.943 8.270 0.070 0.000 0.417 45 V N 5.106 125.123 119.914 0.172 0.000 2.432 45 V HA 0.196 4.262 4.120 -0.090 0.000 0.275 45 V C -2.162 173.971 176.094 0.064 0.000 1.043 45 V CA -2.141 60.170 62.300 0.017 0.000 0.925 45 V CB 1.098 32.877 31.823 -0.075 0.000 0.985 45 V HN 0.149 8.527 8.190 0.425 0.068 0.466 46 P HA 0.423 4.781 4.420 -0.103 0.000 0.283 46 P C 0.576 177.860 177.300 -0.026 0.000 1.278 46 P CA -1.211 61.814 63.100 -0.125 0.000 0.834 46 P CB 1.593 33.124 31.700 -0.282 0.000 1.150 47 F N -0.934 119.065 119.950 0.082 0.000 2.202 47 F HA -0.463 4.114 4.527 0.083 0.000 0.301 47 F C 1.173 176.998 175.800 0.041 0.000 1.082 47 F CA 3.731 61.770 58.000 0.065 0.000 1.313 47 F CB -1.329 37.702 39.000 0.052 0.000 1.024 47 F HN 0.522 8.582 8.300 -0.400 0.000 0.495 48 E N -0.140 120.111 120.200 0.085 0.000 2.097 48 E HA -0.490 3.934 4.350 0.124 0.000 0.196 48 E C 1.791 178.410 176.600 0.031 0.000 1.000 48 E CA 2.871 59.307 56.400 0.059 0.000 0.804 48 E CB -0.987 28.697 29.700 -0.027 0.000 0.740 48 E HN -0.030 8.189 8.360 -0.235 0.000 0.454 49 Q N -2.414 117.384 119.800 -0.002 0.000 2.123 49 Q HA -0.200 4.127 4.340 -0.023 0.000 0.199 49 Q C 1.766 177.781 176.000 0.026 0.000 0.966 49 Q CA 2.198 57.993 55.803 -0.013 0.000 0.845 49 Q CB -0.151 28.552 28.738 -0.058 0.000 0.907 49 Q HN -0.732 7.389 8.270 -0.023 0.135 0.439 50 I N -1.455 119.166 120.570 0.084 0.000 2.142 50 I HA -0.334 3.906 4.170 0.116 0.000 0.240 50 I C 2.255 178.432 176.117 0.099 0.000 1.078 50 I CA 2.165 63.541 61.300 0.126 0.000 1.343 50 I CB -0.360 37.764 38.000 0.206 0.000 1.046 50 I HN -0.219 8.047 8.210 0.094 0.000 0.405 51 L N -0.583 120.702 121.223 0.104 0.000 2.349 51 L HA -0.261 4.263 4.340 0.063 -0.146 0.220 51 L C 2.024 178.922 176.870 0.046 0.000 1.130 51 L CA 2.420 57.304 54.840 0.074 0.000 0.791 51 L CB -0.361 41.753 42.059 0.092 0.000 0.918 51 L HN 0.230 8.435 8.230 0.136 0.106 0.444 52 S N -1.613 114.108 115.700 0.035 0.000 2.419 52 S HA -0.206 4.272 4.470 0.014 0.000 0.233 52 S C 0.565 175.172 174.600 0.012 0.000 1.016 52 S CA 2.382 60.591 58.200 0.015 0.000 0.974 52 S CB -0.063 63.137 63.200 -0.001 0.000 0.786 52 S HN -0.430 7.734 8.310 0.042 0.171 0.492 53 L N -2.736 118.498 121.223 0.018 0.000 2.343 53 L HA 0.620 4.964 4.340 0.007 0.000 0.275 53 L C -1.359 175.521 176.870 0.016 0.000 1.056 53 L CA -2.322 52.527 54.840 0.015 0.000 0.804 53 L CB -1.005 41.065 42.059 0.018 0.000 1.203 53 L HN -1.030 7.171 8.230 0.029 0.046 0.440 54 P HA -0.294 4.130 4.420 0.006 0.000 0.216 54 P C 0.500 177.806 177.300 0.010 0.000 1.167 54 P CA 2.343 65.448 63.100 0.009 0.000 0.933 54 P CB 0.397 32.100 31.700 0.006 0.000 0.793 55 E N -3.445 116.762 120.200 0.012 0.000 2.416 55 E HA -0.049 4.305 4.350 0.006 0.000 0.189 55 E C -0.237 176.372 176.600 0.015 0.000 1.091 55 E CA -0.191 56.216 56.400 0.011 0.000 0.889 55 E CB -0.541 29.166 29.700 0.011 0.000 1.015 55 E HN 0.030 8.399 8.360 0.015 0.000 0.479 56 L N 0.065 121.301 121.223 0.021 0.000 2.959 56 L HA 0.091 4.445 4.340 0.024 0.000 0.236 56 L C -1.263 175.617 176.870 0.015 0.000 1.296 56 L CA 0.032 54.888 54.840 0.027 0.000 1.047 56 L CB -0.903 41.185 42.059 0.048 0.000 1.395 56 L HN -0.649 7.494 8.230 0.020 0.099 0.492 57 K N 0.649 121.050 120.400 0.001 0.000 2.644 57 K HA 0.069 4.386 4.320 -0.006 0.000 0.231 57 K C 1.361 177.945 176.600 -0.027 0.000 1.493 57 K CA 0.696 56.978 56.287 -0.009 0.000 0.836 57 K CB -0.172 32.324 32.500 -0.006 0.000 1.853 57 K HN 0.012 8.178 8.250 0.001 0.084 0.390 58 A N 2.739 125.540 122.820 -0.031 0.000 3.117 58 A HA 0.158 4.440 4.320 -0.063 0.000 0.255 58 A C -1.032 176.520 177.584 -0.054 0.000 1.583 58 A CA -0.207 51.801 52.037 -0.049 0.000 1.234 58 A CB -1.710 17.265 19.000 -0.042 0.000 1.076 58 A HN 0.132 8.269 8.150 -0.021 0.000 0.653 59 N N 1.305 119.975 118.700 -0.050 0.000 2.609 59 N HA 0.295 5.000 4.740 -0.058 0.000 0.234 59 N C -1.020 174.427 175.510 -0.106 0.000 1.001 59 N CA -2.631 50.389 53.050 -0.051 0.000 0.926 59 N CB 0.788 39.275 38.487 0.001 0.000 1.130 59 N HN -0.589 7.661 8.380 -0.045 0.104 0.510 60 P HA -0.019 4.268 4.420 -0.223 0.000 0.221 60 P C -0.338 176.776 177.300 -0.311 0.000 1.145 60 P CA 1.244 64.145 63.100 -0.331 0.000 0.795 60 P CB 0.115 31.530 31.700 -0.475 0.000 0.775 61 F N -4.083 115.831 119.950 -0.060 0.000 2.797 61 F HA 0.121 4.590 4.527 -0.097 0.000 0.302 61 F C 1.184 176.943 175.800 -0.069 0.000 1.130 61 F CA -1.707 56.257 58.000 -0.061 0.000 1.387 61 F CB -1.136 37.863 39.000 -0.001 0.000 1.107 61 F HN -0.504 7.611 8.300 -0.238 0.043 0.577 62 K N -0.109 120.325 120.400 0.058 0.000 2.057 62 K HA -0.417 3.902 4.320 -0.001 0.000 0.207 62 K C 1.969 178.546 176.600 -0.038 0.000 1.049 62 K CA 3.535 59.827 56.287 0.008 0.000 0.931 62 K CB -0.250 32.263 32.500 0.021 0.000 0.714 62 K HN -0.394 7.808 8.250 0.018 0.059 0.440 63 E N -1.976 118.192 120.200 -0.054 0.000 2.110 63 E HA -0.357 3.948 4.350 -0.075 0.000 0.193 63 E C 1.952 178.497 176.600 -0.090 0.000 0.988 63 E CA 3.111 59.452 56.400 -0.099 0.000 0.804 63 E CB -0.752 28.838 29.700 -0.183 0.000 0.745 63 E HN 0.451 8.780 8.360 -0.052 0.000 0.458 64 R N -1.401 119.067 120.500 -0.053 0.000 2.073 64 R HA -0.309 3.996 4.340 -0.058 0.000 0.234 64 R C 2.401 178.625 176.300 -0.128 0.000 1.134 64 R CA 2.728 58.797 56.100 -0.051 0.000 0.952 64 R CB -0.517 29.801 30.300 0.028 0.000 0.850 64 R HN -0.185 8.073 8.270 -0.019 0.000 0.433 65 I N 1.038 121.518 120.570 -0.151 0.000 2.068 65 I HA -0.474 3.597 4.170 -0.165 0.000 0.238 65 I C 2.236 177.757 176.117 -0.994 0.000 1.046 65 I CA 4.107 65.157 61.300 -0.417 0.000 1.306 65 I CB -0.135 37.706 38.000 -0.265 0.000 1.023 65 I HN 0.463 8.535 8.210 -0.051 0.107 0.399 66 C N -0.786 118.108 119.300 -0.677 0.000 2.375 66 C HA -0.608 3.865 4.460 0.021 0.000 0.274 66 C C 2.103 177.138 174.990 0.075 0.000 1.190 66 C CA 5.127 64.050 59.018 -0.160 0.000 1.775 66 C CB -0.238 27.558 27.740 0.095 0.000 2.067 66 C HN -0.184 7.797 8.230 -0.414 0.000 0.463 67 R N -1.376 119.129 120.500 0.008 0.000 2.075 67 R HA -0.363 4.041 4.340 0.106 0.000 0.232 67 R C 2.276 178.606 176.300 0.049 0.000 1.126 67 R CA 3.335 59.464 56.100 0.048 0.000 0.963 67 R CB -0.008 30.295 30.300 0.005 0.000 0.858 67 R HN -0.368 7.863 8.270 -0.064 0.000 0.435 68 V N -1.081 118.821 119.914 -0.020 0.000 2.358 68 V HA -0.385 3.715 4.120 -0.034 0.000 0.246 68 V C 1.616 177.861 176.094 0.251 0.000 1.047 68 V CA 3.416 65.707 62.300 -0.017 0.000 1.035 68 V CB -0.356 31.258 31.823 -0.350 0.000 0.658 68 V HN -0.294 7.839 8.190 -0.094 0.000 0.452 69 F N -3.076 116.976 119.950 0.171 0.000 2.063 69 F HA -0.414 4.250 4.527 0.228 0.000 0.298 69 F C 1.026 176.912 175.800 0.142 0.000 1.109 69 F CA 1.933 60.052 58.000 0.198 0.000 1.212 69 F CB -0.811 38.325 39.000 0.227 0.000 0.973 69 F HN -0.246 8.279 8.300 0.375 0.000 0.480 70 S N -5.903 110.001 115.700 0.340 0.000 3.526 70 S HA 0.088 4.788 4.470 0.173 -0.126 0.222 70 S C 0.923 175.620 174.600 0.161 0.000 1.001 70 S CA 0.367 58.698 58.200 0.218 0.000 0.831 70 S CB 0.870 64.208 63.200 0.231 0.000 0.941 70 S HN -0.607 7.921 8.310 0.364 0.000 0.585 71 T N 0.970 115.617 114.554 0.156 0.000 3.401 71 T HA 0.056 4.508 4.350 0.170 0.000 0.225 71 T C -0.073 174.699 174.700 0.120 0.000 0.961 71 T CA 1.932 64.130 62.100 0.163 0.000 1.429 71 T CB 0.823 69.816 68.868 0.209 0.000 1.213 71 T HN -0.094 8.218 8.240 0.120 0.000 0.440 72 S N -1.319 114.444 115.700 0.105 0.000 4.157 72 S HA -0.244 4.269 4.470 0.071 0.000 0.287 72 S C -2.295 172.364 174.600 0.098 0.000 1.865 72 S CA 0.673 58.923 58.200 0.083 0.000 4.248 72 S CB -2.069 61.167 63.200 0.060 0.000 0.203 72 S HN 0.122 8.500 8.310 0.114 0.000 0.454 73 P HA 0.103 4.581 4.420 0.097 0.000 0.276 73 P C -1.608 175.789 177.300 0.162 0.000 1.261 73 P CA -0.551 62.613 63.100 0.106 0.000 0.800 73 P CB 0.528 32.273 31.700 0.075 0.000 1.066 74 A N 0.031 122.953 122.820 0.171 0.000 2.454 74 A HA -0.128 4.493 4.320 0.500 0.000 0.260 74 A C 0.738 178.342 177.584 0.034 0.000 1.106 74 A CA 0.753 52.939 52.037 0.248 0.000 0.780 74 A CB 0.162 19.309 19.000 0.245 0.000 1.044 74 A HN 0.158 8.384 8.150 0.127 0.000 0.498 75 K N -0.781 119.480 120.400 -0.231 0.000 3.658 75 K HA -0.431 3.490 4.320 -0.665 0.000 0.372 75 K C -0.694 175.827 176.600 -0.132 0.000 0.598 75 K CA 2.662 58.735 56.287 -0.356 0.000 1.635 75 K CB -1.419 30.911 32.500 -0.283 0.000 1.178 75 K HN 0.593 8.689 8.250 -0.257 0.000 0.470 76 D N 0.227 120.612 120.400 -0.026 0.000 2.398 76 D HA -0.124 4.692 4.640 0.024 -0.161 0.250 76 D C -0.600 175.746 176.300 0.078 0.000 1.287 76 D CA 0.814 54.832 54.000 0.029 0.000 0.992 76 D CB 0.234 41.057 40.800 0.038 0.000 1.071 76 D HN -0.421 7.832 8.370 -0.008 0.111 0.514 77 S N 5.718 121.478 115.700 0.099 0.000 4.057 77 S HA 0.261 4.840 4.470 0.183 0.000 0.197 77 S C -0.896 173.835 174.600 0.218 0.000 1.154 77 S CA -0.724 57.578 58.200 0.169 0.000 1.556 77 S CB 2.063 65.367 63.200 0.173 0.000 1.405 77 S HN 0.451 8.711 8.310 0.074 0.094 0.786 78 L N 0.137 121.534 121.223 0.290 0.000 2.401 78 L HA 0.445 4.962 4.340 0.295 0.000 0.283 78 L C -0.556 176.554 176.870 0.399 0.000 1.151 78 L CA -0.649 54.404 54.840 0.354 0.000 0.942 78 L CB -1.413 40.928 42.059 0.471 0.000 1.283 78 L HN -0.393 8.006 8.230 0.282 0.000 0.442 79 S N 4.038 119.909 115.700 0.286 0.000 2.596 79 S HA 0.030 4.771 4.470 0.453 0.000 0.260 79 S C 0.810 175.438 174.600 0.047 0.000 1.336 79 S CA -0.596 57.772 58.200 0.279 0.000 0.993 79 S CB 1.747 65.063 63.200 0.194 0.000 0.923 79 S HN -0.295 8.246 8.310 0.226 -0.095 0.567 80 F N 3.513 123.307 119.950 -0.259 0.000 2.171 80 F HA -0.355 3.430 4.527 -1.236 0.000 0.300 80 F C 1.054 176.792 175.800 -0.104 0.000 1.090 80 F CA 3.586 61.244 58.000 -0.570 0.000 1.293 80 F CB 0.384 39.099 39.000 -0.476 0.000 1.013 80 F HN -0.217 8.232 8.300 0.248 0.000 0.486 81 E N -0.140 120.061 120.200 0.003 0.000 2.038 81 E HA -0.479 4.021 4.350 -0.092 -0.205 0.195 81 E C 1.794 178.315 176.600 -0.132 0.000 1.000 81 E CA 3.287 59.668 56.400 -0.032 0.000 0.803 81 E CB -0.380 29.380 29.700 0.100 0.000 0.750 81 E HN 0.110 8.617 8.360 0.245 0.000 0.448 82 D N -0.011 120.353 120.400 -0.059 0.000 2.106 82 D HA -0.341 4.278 4.640 -0.036 0.000 0.191 82 D C 2.212 178.411 176.300 -0.168 0.000 0.997 82 D CA 3.368 57.338 54.000 -0.049 0.000 0.834 82 D CB -0.461 40.377 40.800 0.064 0.000 0.956 82 D HN -0.846 7.519 8.370 -0.008 0.000 0.448 83 F N 0.731 120.463 119.950 -0.362 0.000 2.115 83 F HA -0.449 3.840 4.527 -0.397 0.000 0.300 83 F C 2.029 177.563 175.800 -0.443 0.000 1.092 83 F CA 3.502 61.238 58.000 -0.440 0.000 1.245 83 F CB 0.192 38.893 39.000 -0.499 0.000 0.995 83 F HN 0.149 8.283 8.300 -0.095 0.109 0.481 84 L N -2.666 118.230 121.223 -0.546 0.000 2.023 84 L HA -0.467 3.627 4.340 -0.409 0.000 0.205 84 L C 1.777 178.474 176.870 -0.288 0.000 1.073 84 L CA 3.182 57.755 54.840 -0.446 0.000 0.745 84 L CB -0.491 41.273 42.059 -0.491 0.000 0.900 84 L HN 0.018 7.865 8.230 -0.638 0.000 0.435 85 D N -0.763 119.506 120.400 -0.219 0.000 2.133 85 D HA -0.324 4.267 4.640 -0.082 0.000 0.195 85 D C 2.759 179.022 176.300 -0.062 0.000 0.997 85 D CA 3.703 57.639 54.000 -0.107 0.000 0.840 85 D CB 0.049 40.811 40.800 -0.063 0.000 0.947 85 D HN -0.422 7.852 8.370 -0.250 -0.053 0.452 86 L N -2.919 118.226 121.223 -0.129 0.000 1.970 86 L HA -0.247 4.190 4.340 0.162 0.000 0.212 86 L C 1.601 178.446 176.870 -0.042 0.000 1.071 86 L CA 3.309 58.105 54.840 -0.074 0.000 0.751 86 L CB -0.837 40.948 42.059 -0.456 0.000 0.889 86 L HN -0.113 7.982 8.230 -0.225 0.000 0.432 87 L N -2.287 118.801 121.223 -0.226 0.000 2.109 87 L HA -0.334 3.990 4.340 -0.026 0.000 0.207 87 L C 2.085 178.948 176.870 -0.013 0.000 1.086 87 L CA 2.354 57.107 54.840 -0.145 0.000 0.760 87 L CB -0.340 41.492 42.059 -0.378 0.000 0.910 87 L HN -0.721 7.258 8.230 -0.420 0.000 0.437 88 S N -1.901 113.789 115.700 -0.016 0.000 2.400 88 S HA -0.396 4.164 4.470 0.150 0.000 0.234 88 S C 1.286 175.984 174.600 0.163 0.000 1.049 88 S CA 3.303 61.569 58.200 0.111 0.000 1.039 88 S CB -0.022 63.229 63.200 0.084 0.000 0.856 88 S HN -0.264 7.988 8.310 -0.097 0.000 0.465 89 V N -0.340 119.626 119.914 0.086 0.000 2.287 89 V HA -0.374 3.771 4.120 0.041 0.000 0.248 89 V C 0.487 176.482 176.094 -0.165 0.000 1.053 89 V CA 2.987 65.273 62.300 -0.024 0.000 1.027 89 V CB 0.225 32.001 31.823 -0.078 0.000 0.646 89 V HN -0.707 7.384 8.190 0.069 0.140 0.447 90 F N -6.334 113.532 119.950 -0.141 0.000 2.780 90 F HA -0.019 4.571 4.527 -0.164 -0.161 0.299 90 F C 0.834 176.546 175.800 -0.146 0.000 1.146 90 F CA 0.612 58.504 58.000 -0.180 0.000 1.428 90 F CB 0.375 39.217 39.000 -0.264 0.000 1.115 90 F HN -1.018 7.381 8.300 0.165 0.000 0.583 91 S N 0.465 116.183 115.700 0.030 0.000 2.537 91 S HA -0.232 4.241 4.470 0.005 0.000 0.286 91 S C -0.702 173.849 174.600 -0.083 0.000 1.299 91 S CA 1.242 59.435 58.200 -0.011 0.000 1.067 91 S CB 0.727 63.947 63.200 0.034 0.000 0.864 91 S HN -0.533 7.641 8.310 0.049 0.164 0.494 92 D N 8.750 129.116 120.400 -0.058 0.000 2.498 92 D HA 0.035 4.619 4.640 -0.094 0.000 0.229 92 D C -0.161 176.084 176.300 -0.091 0.000 1.188 92 D CA 0.620 54.575 54.000 -0.074 0.000 1.028 92 D CB -0.899 39.877 40.800 -0.040 0.000 1.087 92 D HN 0.735 9.088 8.370 -0.028 0.000 0.510 93 T N 2.191 116.646 114.554 -0.165 0.000 4.132 93 T HA -0.169 4.093 4.350 -0.146 0.000 0.337 93 T C -0.911 173.474 174.700 -0.526 0.000 1.192 93 T CA 0.430 62.402 62.100 -0.214 0.000 1.665 93 T CB 0.373 69.184 68.868 -0.096 0.000 0.895 93 T HN -0.322 7.797 8.240 -0.202 0.000 0.558 94 A N 2.670 125.015 122.820 -0.792 0.000 2.448 94 A HA 0.063 2.813 4.320 -2.617 0.000 0.239 94 A C -0.667 176.580 177.584 -0.562 0.000 1.080 94 A CA 0.443 51.745 52.037 -1.224 0.000 0.779 94 A CB 1.145 19.683 19.000 -0.770 0.000 1.026 94 A HN -0.207 7.534 8.150 -0.483 0.119 0.499 95 T N -2.320 111.988 114.554 -0.411 0.000 2.913 95 T HA 0.156 4.410 4.350 -0.159 0.000 0.297 95 T C -0.016 174.630 174.700 -0.091 0.000 1.029 95 T CA -3.188 58.819 62.100 -0.155 0.000 1.104 95 T CB 0.798 69.655 68.868 -0.018 0.000 0.964 95 T HN 0.059 7.964 8.240 -0.558 0.000 0.532 96 P HA -0.102 4.478 4.420 -0.074 -0.204 0.218 96 P C 1.069 178.358 177.300 -0.018 0.000 1.148 96 P CA 2.370 65.438 63.100 -0.053 0.000 0.822 96 P CB 0.242 31.912 31.700 -0.050 0.000 0.784 97 D N -0.870 119.548 120.400 0.030 0.000 2.084 97 D HA -0.267 4.399 4.640 0.044 0.000 0.194 97 D C 2.148 178.582 176.300 0.222 0.000 0.990 97 D CA 4.231 58.293 54.000 0.104 0.000 0.826 97 D CB -0.454 40.438 40.800 0.153 0.000 0.971 97 D HN 0.096 8.452 8.370 0.020 0.026 0.453 98 I N 0.403 121.096 120.570 0.206 0.000 2.264 98 I HA -0.560 3.797 4.170 0.313 0.000 0.248 98 I C 1.313 177.517 176.117 0.146 0.000 1.111 98 I CA 3.482 64.905 61.300 0.204 0.000 1.382 98 I CB -0.071 38.020 38.000 0.151 0.000 1.060 98 I HN -0.750 7.539 8.210 0.131 0.000 0.418 99 K N -0.854 119.566 120.400 0.033 0.000 2.026 99 K HA -0.431 3.885 4.320 -0.007 0.000 0.208 99 K C 2.220 178.707 176.600 -0.189 0.000 1.048 99 K CA 3.897 60.155 56.287 -0.048 0.000 0.929 99 K CB -0.404 32.067 32.500 -0.047 0.000 0.713 99 K HN -0.665 7.593 8.250 0.012 0.000 0.439 100 S N -0.349 115.272 115.700 -0.132 0.000 2.370 100 S HA -0.458 3.882 4.470 -0.217 0.000 0.226 100 S C 1.627 176.231 174.600 0.007 0.000 1.033 100 S CA 3.414 61.541 58.200 -0.122 0.000 1.011 100 S CB -0.191 62.943 63.200 -0.110 0.000 0.852 100 S HN -0.111 8.157 8.310 -0.071 0.000 0.457 101 H N 1.464 120.572 119.070 0.063 0.000 2.319 101 H HA -0.340 4.370 4.556 0.258 0.000 0.297 101 H C 2.230 177.678 175.328 0.201 0.000 1.097 101 H CA 4.222 60.377 56.048 0.179 0.000 1.285 101 H CB 0.031 29.891 29.762 0.163 0.000 1.368 101 H HN 0.203 8.598 8.280 0.192 0.000 0.495 102 Y N 0.292 120.692 120.300 0.165 0.000 2.128 102 Y HA -0.526 4.107 4.550 0.138 0.000 0.284 102 Y C 1.391 177.338 175.900 0.078 0.000 1.154 102 Y CA 3.368 61.537 58.100 0.116 0.000 1.149 102 Y CB -0.230 38.292 38.460 0.103 0.000 0.976 102 Y HN -0.200 8.290 8.280 0.349 0.000 0.505 103 A N -1.207 121.667 122.820 0.091 0.000 1.892 103 A HA -0.474 3.906 4.320 0.100 0.000 0.218 103 A C 1.330 179.015 177.584 0.169 0.000 1.188 103 A CA 3.118 55.167 52.037 0.020 0.000 0.631 103 A CB -0.785 18.065 19.000 -0.250 0.000 0.822 103 A HN 0.005 8.134 8.150 -0.034 0.000 0.447 104 F N 0.135 120.082 119.950 -0.005 0.000 2.063 104 F HA -0.473 4.067 4.527 0.022 0.000 0.298 104 F C 1.341 177.170 175.800 0.048 0.000 1.109 104 F CA 2.632 60.642 58.000 0.016 0.000 1.212 104 F CB -0.184 38.800 39.000 -0.026 0.000 0.973 104 F HN -0.129 8.303 8.300 0.219 0.000 0.480 105 R N -2.487 117.868 120.500 -0.241 0.000 2.189 105 R HA -0.355 3.644 4.340 -0.568 0.000 0.223 105 R C 2.470 178.614 176.300 -0.261 0.000 1.092 105 R CA 2.895 58.767 56.100 -0.380 0.000 0.989 105 R CB -0.277 29.831 30.300 -0.320 0.000 0.876 105 R HN -0.223 8.041 8.270 -0.011 0.000 0.457 106 I N -0.659 119.796 120.570 -0.193 0.000 2.179 106 I HA -0.376 3.676 4.170 -0.198 0.000 0.242 106 I C 2.169 178.207 176.117 -0.131 0.000 1.088 106 I CA 1.957 63.142 61.300 -0.193 0.000 1.357 106 I CB -1.185 36.634 38.000 -0.301 0.000 1.051 106 I HN -0.349 7.748 8.210 -0.140 0.030 0.409 107 F N -1.107 118.811 119.950 -0.052 0.000 2.206 107 F HA -0.247 4.351 4.527 0.120 0.000 0.298 107 F C 0.650 176.492 175.800 0.071 0.000 1.090 107 F CA 2.831 60.862 58.000 0.052 0.000 1.323 107 F CB 0.373 39.404 39.000 0.051 0.000 1.028 107 F HN -0.844 7.614 8.300 0.264 0.000 0.492 108 D N -0.344 120.076 120.400 0.034 0.000 2.498 108 D HA -0.080 4.504 4.640 -0.093 0.000 0.229 108 D C 0.165 176.382 176.300 -0.138 0.000 1.188 108 D CA -0.912 52.996 54.000 -0.154 0.000 1.028 108 D CB -1.470 39.027 40.800 -0.505 0.000 1.087 108 D HN -0.164 8.177 8.370 -0.048 0.000 0.510 109 F N 3.146 123.036 119.950 -0.100 0.000 2.118 109 F HA 0.030 4.485 4.527 -0.121 0.000 0.293 109 F C 0.758 176.511 175.800 -0.079 0.000 1.102 109 F CA 1.129 59.072 58.000 -0.095 0.000 1.247 109 F CB -0.103 38.853 39.000 -0.074 0.000 1.017 109 F HN -0.776 7.574 8.300 0.171 0.053 0.475 110 D N 0.402 120.493 120.400 -0.515 0.000 2.713 110 D HA -0.016 4.570 4.640 -0.091 0.000 0.229 110 D C 0.103 176.284 176.300 -0.199 0.000 1.136 110 D CA -0.505 53.324 54.000 -0.285 0.000 1.010 110 D CB -1.209 39.354 40.800 -0.395 0.000 1.084 110 D HN -0.257 7.380 8.370 -1.221 0.000 0.495 111 D N 1.435 121.756 120.400 -0.133 0.000 2.845 111 D HA -0.369 4.225 4.640 -0.077 0.000 0.167 111 D C -0.439 175.804 176.300 -0.095 0.000 1.672 111 D CA 2.826 56.771 54.000 -0.091 0.000 1.924 111 D CB -1.098 39.670 40.800 -0.053 0.000 1.372 111 D HN -0.022 8.207 8.370 -0.113 0.073 0.423 112 D N 0.982 121.314 120.400 -0.112 0.000 2.084 112 D HA -0.107 4.505 4.640 -0.046 0.000 0.199 112 D C 1.080 177.360 176.300 -0.034 0.000 0.981 112 D CA 1.393 55.351 54.000 -0.070 0.000 0.841 112 D CB 1.947 42.698 40.800 -0.081 0.000 0.997 112 D HN -0.041 8.127 8.370 -0.145 0.115 0.454 113 G N -1.379 107.397 108.800 -0.039 0.000 2.909 113 G HA2 -0.238 3.894 3.960 0.150 0.000 0.198 113 G HA3 -0.238 3.797 3.960 0.125 0.000 0.198 113 G C -0.911 174.084 174.900 0.158 0.000 1.124 113 G CA -0.275 44.884 45.100 0.098 0.000 0.796 113 G HN -0.527 7.857 8.290 -0.096 -0.152 0.489 114 T N 2.929 117.518 114.554 0.059 0.000 2.863 114 T HA 0.290 4.873 4.350 0.081 -0.185 0.299 114 T C 0.439 175.153 174.700 0.023 0.000 0.973 114 T CA -0.778 61.351 62.100 0.049 0.000 0.994 114 T CB 0.102 68.978 68.868 0.014 0.000 0.961 114 T HN -0.291 8.263 8.240 0.015 -0.305 0.552 115 L N 3.055 124.321 121.223 0.072 0.000 2.416 115 L HA 0.312 4.660 4.340 0.013 0.000 0.262 115 L C -0.889 175.998 176.870 0.028 0.000 1.093 115 L CA -2.160 52.711 54.840 0.053 0.000 0.801 115 L CB 0.608 42.736 42.059 0.115 0.000 1.191 115 L HN -0.258 8.056 8.230 0.140 0.000 0.459 116 N N -0.543 118.175 118.700 0.030 0.000 2.492 116 N HA -0.124 4.613 4.740 -0.004 0.000 0.262 116 N C 1.685 177.172 175.510 -0.037 0.000 1.202 116 N CA 0.071 53.124 53.050 0.005 0.000 0.926 116 N CB 1.584 40.089 38.487 0.030 0.000 1.078 116 N HN 0.011 8.426 8.380 0.058 0.000 0.454 117 R N 6.120 126.579 120.500 -0.069 0.000 2.178 117 R HA -0.509 3.713 4.340 -0.196 0.000 0.257 117 R C 1.831 178.052 176.300 -0.132 0.000 1.163 117 R CA 3.708 59.731 56.100 -0.127 0.000 0.981 117 R CB -0.618 29.622 30.300 -0.099 0.000 0.878 117 R HN -0.059 8.182 8.270 -0.048 0.000 0.454 118 E N -0.344 119.814 120.200 -0.070 0.000 2.038 118 E HA -0.372 3.939 4.350 -0.065 0.000 0.195 118 E C 2.294 178.855 176.600 -0.065 0.000 1.000 118 E CA 3.064 59.434 56.400 -0.050 0.000 0.803 118 E CB -0.576 29.123 29.700 -0.001 0.000 0.750 118 E HN -0.203 8.416 8.360 -0.043 -0.285 0.448 119 D N 0.208 120.600 120.400 -0.013 0.000 2.133 119 D HA -0.277 4.384 4.640 0.034 0.000 0.195 119 D C 2.495 178.611 176.300 -0.308 0.000 0.997 119 D CA 2.983 56.972 54.000 -0.018 0.000 0.840 119 D CB -0.359 40.560 40.800 0.200 0.000 0.947 119 D HN -0.561 7.812 8.370 0.004 0.000 0.452 120 L N 0.008 121.082 121.223 -0.248 0.000 1.989 120 L HA -0.374 3.757 4.340 -0.349 0.000 0.211 120 L C 1.695 178.306 176.870 -0.431 0.000 1.071 120 L CA 3.361 57.978 54.840 -0.373 0.000 0.749 120 L CB 0.100 41.904 42.059 -0.425 0.000 0.890 120 L HN -0.038 8.095 8.230 -0.162 0.000 0.431 121 S N -1.179 114.313 115.700 -0.347 0.000 2.368 121 S HA -0.352 3.971 4.470 -0.244 0.000 0.225 121 S C 2.535 177.005 174.600 -0.217 0.000 1.030 121 S CA 3.589 61.641 58.200 -0.246 0.000 0.999 121 S CB -0.319 62.785 63.200 -0.160 0.000 0.844 121 S HN 0.249 8.266 8.310 -0.301 0.113 0.459 122 R N 0.716 121.064 120.500 -0.253 0.000 2.091 122 R HA -0.327 3.947 4.340 -0.110 0.000 0.238 122 R C 2.299 178.271 176.300 -0.548 0.000 1.136 122 R CA 3.242 59.179 56.100 -0.271 0.000 0.959 122 R CB -0.315 29.909 30.300 -0.127 0.000 0.856 122 R HN 0.253 8.377 8.270 -0.243 0.000 0.437 123 L N 0.143 120.759 121.223 -1.012 0.000 1.990 123 L HA -0.350 3.475 4.340 -0.858 0.000 0.213 123 L C 1.709 178.414 176.870 -0.274 0.000 1.072 123 L CA 3.196 57.566 54.840 -0.783 0.000 0.755 123 L CB -0.139 41.486 42.059 -0.723 0.000 0.889 123 L HN 0.112 7.619 8.230 -1.025 0.109 0.432 124 V N -2.420 117.367 119.914 -0.211 0.000 2.343 124 V HA -0.559 3.533 4.120 -0.048 0.000 0.247 124 V C 1.707 177.781 176.094 -0.034 0.000 1.051 124 V CA 4.955 67.210 62.300 -0.075 0.000 1.036 124 V CB -0.390 31.429 31.823 -0.007 0.000 0.654 124 V HN -0.259 7.757 8.190 -0.290 0.000 0.451 125 N N 0.101 118.771 118.700 -0.050 0.000 2.135 125 N HA -0.277 4.589 4.740 0.009 -0.120 0.186 125 N C 1.723 177.252 175.510 0.032 0.000 1.027 125 N CA 2.961 56.008 53.050 -0.005 0.000 0.849 125 N CB 0.726 39.207 38.487 -0.010 0.000 1.002 125 N HN -0.270 8.046 8.380 -0.105 0.000 0.425 126 C N -0.519 118.821 119.300 0.065 0.000 2.403 126 C HA -0.320 4.228 4.460 0.148 0.000 0.282 126 C C 1.952 177.031 174.990 0.149 0.000 1.297 126 C CA 3.439 62.553 59.018 0.160 0.000 1.785 126 C CB -0.942 27.002 27.740 0.341 0.000 1.963 126 C HN 0.396 8.515 8.230 0.009 0.116 0.507 127 L N -1.249 120.048 121.223 0.122 0.000 1.982 127 L HA -0.129 4.394 4.340 0.305 0.000 0.206 127 L C 0.997 177.932 176.870 0.108 0.000 1.078 127 L CA 2.290 57.236 54.840 0.177 0.000 0.749 127 L CB 0.447 42.585 42.059 0.132 0.000 0.894 127 L HN -0.834 7.409 8.230 0.068 0.027 0.436 128 T N -1.747 112.853 114.554 0.076 0.000 3.182 128 T HA -0.270 4.266 4.350 0.077 -0.140 0.274 128 T C -0.291 174.419 174.700 0.017 0.000 0.997 128 T CA 1.374 63.507 62.100 0.054 0.000 1.082 128 T CB -0.783 68.116 68.868 0.053 0.000 1.005 128 T HN -0.116 8.046 8.240 0.059 0.113 0.688 129 G N 7.271 116.060 108.800 -0.018 0.000 4.455 129 G HA2 -0.124 3.824 3.960 -0.019 0.000 0.182 129 G HA3 -0.124 3.947 3.960 -0.015 -0.121 0.182 129 G C 0.638 175.473 174.900 -0.107 0.000 1.631 129 G CA 0.922 46.000 45.100 -0.036 0.000 0.878 129 G HN -0.243 8.027 8.290 -0.033 0.000 0.295 130 E N 4.416 124.479 120.200 -0.227 0.000 2.058 130 E HA -0.266 3.890 4.350 -0.324 0.000 0.194 130 E C 1.236 177.525 176.600 -0.518 0.000 0.997 130 E CA 1.920 58.017 56.400 -0.505 0.000 0.801 130 E CB 0.581 29.686 29.700 -0.992 0.000 0.746 130 E HN -0.407 7.845 8.360 -0.179 0.000 0.450 131 G N -1.770 106.810 108.800 -0.367 0.000 3.458 131 G HA2 -0.113 3.938 3.960 0.152 0.000 0.256 131 G HA3 -0.113 4.046 3.960 0.331 0.000 0.256 131 G C -1.379 173.559 174.900 0.063 0.000 0.938 131 G CA -0.513 44.625 45.100 0.063 0.000 1.890 131 G HN -0.654 7.418 8.290 -0.364 0.000 0.639 132 E N -0.992 119.216 120.200 0.014 0.000 2.302 132 E HA -0.435 3.921 4.350 0.010 0.000 0.186 132 E C -1.723 174.890 176.600 0.022 0.000 1.444 132 E CA 0.912 57.327 56.400 0.024 0.000 0.671 132 E CB -2.065 27.662 29.700 0.045 0.000 1.122 132 E HN -0.345 7.924 8.360 -0.031 0.072 0.366 133 D N 0.345 120.750 120.400 0.009 0.000 2.453 133 D HA 0.290 4.941 4.640 0.017 0.000 0.238 133 D C -0.323 175.982 176.300 0.008 0.000 1.088 133 D CA -0.090 53.916 54.000 0.012 0.000 0.854 133 D CB 1.028 41.834 40.800 0.011 0.000 1.076 133 D HN -0.058 8.309 8.370 -0.005 0.000 0.533 134 T N 3.052 117.612 114.554 0.010 0.000 2.726 134 T HA 0.078 4.432 4.350 0.007 0.000 0.294 134 T C 1.209 175.914 174.700 0.008 0.000 1.013 134 T CA -1.753 60.352 62.100 0.008 0.000 0.996 134 T CB 1.247 70.121 68.868 0.009 0.000 1.016 134 T HN -0.048 8.199 8.240 0.013 0.000 0.529 135 R N 0.541 121.045 120.500 0.007 0.000 2.091 135 R HA -0.320 4.025 4.340 0.007 0.000 0.238 135 R C 2.442 178.746 176.300 0.007 0.000 1.136 135 R CA 3.626 59.730 56.100 0.007 0.000 0.959 135 R CB -0.208 30.096 30.300 0.006 0.000 0.856 135 R HN 0.523 8.797 8.270 0.007 0.000 0.437 136 L N -1.679 119.548 121.223 0.007 0.000 2.046 136 L HA -0.331 4.013 4.340 0.007 0.000 0.208 136 L C 1.940 178.815 176.870 0.009 0.000 1.077 136 L CA 3.098 57.943 54.840 0.007 0.000 0.747 136 L CB -0.703 41.360 42.059 0.007 0.000 0.896 136 L HN 0.175 8.409 8.230 0.007 0.000 0.432 137 S N -0.170 115.536 115.700 0.010 0.000 2.356 137 S HA -0.359 4.118 4.470 0.012 0.000 0.223 137 S C 2.328 176.936 174.600 0.014 0.000 1.032 137 S CA 3.543 61.751 58.200 0.013 0.000 1.005 137 S CB -0.506 62.703 63.200 0.016 0.000 0.867 137 S HN -0.626 7.690 8.310 0.010 0.000 0.449 138 A N 2.353 125.181 122.820 0.012 0.000 1.883 138 A HA -0.284 4.045 4.320 0.015 0.000 0.217 138 A C 2.048 179.639 177.584 0.012 0.000 1.186 138 A CA 3.177 55.221 52.037 0.012 0.000 0.624 138 A CB -0.897 18.109 19.000 0.011 0.000 0.822 138 A HN 0.436 8.593 8.150 0.011 0.000 0.444 139 S N -1.359 114.347 115.700 0.010 0.000 2.353 139 S HA -0.353 4.122 4.470 0.009 0.000 0.222 139 S C 2.031 176.636 174.600 0.009 0.000 1.035 139 S CA 3.683 61.888 58.200 0.009 0.000 1.025 139 S CB -0.458 62.746 63.200 0.007 0.000 0.902 139 S HN -0.365 7.951 8.310 0.009 0.000 0.440 140 E N 1.737 121.942 120.200 0.009 0.000 2.070 140 E HA -0.369 3.984 4.350 0.006 0.000 0.197 140 E C 2.613 179.219 176.600 0.009 0.000 1.004 140 E CA 3.193 59.597 56.400 0.008 0.000 0.805 140 E CB -0.148 29.557 29.700 0.007 0.000 0.744 140 E HN -0.388 7.978 8.360 0.009 0.000 0.451 141 M N -1.929 117.679 119.600 0.013 0.000 2.254 141 M HA -0.310 4.178 4.480 0.013 0.000 0.265 141 M C 2.370 178.684 176.300 0.023 0.000 1.066 141 M CA 3.591 58.901 55.300 0.017 0.000 1.123 141 M CB 0.116 32.729 32.600 0.021 0.000 1.388 141 M HN -0.060 8.238 8.290 0.013 0.000 0.425 142 K N -0.142 120.270 120.400 0.020 0.000 2.097 142 K HA -0.357 3.982 4.320 0.031 0.000 0.205 142 K C 2.608 179.222 176.600 0.023 0.000 1.050 142 K CA 3.795 60.096 56.287 0.023 0.000 0.938 142 K CB -0.322 32.187 32.500 0.015 0.000 0.718 142 K HN 0.002 8.262 8.250 0.017 0.000 0.442 143 Q N -0.458 119.352 119.800 0.016 0.000 2.135 143 Q HA -0.316 4.211 4.340 0.013 -0.180 0.204 143 Q C 2.765 178.771 176.000 0.010 0.000 0.981 143 Q CA 2.973 58.783 55.803 0.012 0.000 0.856 143 Q CB -0.097 28.645 28.738 0.007 0.000 0.902 143 Q HN -0.019 8.259 8.270 0.013 0.000 0.425 144 L N -0.146 121.082 121.223 0.008 0.000 2.012 144 L HA -0.366 3.967 4.340 -0.013 0.000 0.210 144 L C 1.656 178.529 176.870 0.007 0.000 1.073 144 L CA 2.953 57.792 54.840 -0.003 0.000 0.748 144 L CB 0.001 42.056 42.059 -0.007 0.000 0.891 144 L HN -0.348 7.888 8.230 0.010 0.000 0.431 145 I N -1.005 119.594 120.570 0.049 0.000 2.194 145 I HA -0.710 3.563 4.170 0.171 0.000 0.246 145 I C 1.608 177.804 176.117 0.132 0.000 1.093 145 I CA 4.465 65.847 61.300 0.138 0.000 1.355 145 I CB -0.494 37.600 38.000 0.156 0.000 1.046 145 I HN 0.146 8.382 8.210 0.043 0.000 0.413 146 D N -0.969 119.472 120.400 0.069 0.000 2.133 146 D HA -0.364 4.314 4.640 0.062 0.000 0.195 146 D C 2.589 178.911 176.300 0.035 0.000 0.997 146 D CA 3.724 57.754 54.000 0.050 0.000 0.840 146 D CB -0.880 39.936 40.800 0.027 0.000 0.947 146 D HN 0.104 8.505 8.370 0.052 0.000 0.452 147 N N -0.799 117.908 118.700 0.011 0.000 2.142 147 N HA -0.233 4.707 4.740 -0.008 -0.205 0.186 147 N C 2.103 177.588 175.510 -0.043 0.000 1.023 147 N CA 2.670 55.711 53.050 -0.015 0.000 0.852 147 N CB 0.138 38.608 38.487 -0.027 0.000 0.998 147 N HN -0.846 7.541 8.380 0.011 0.000 0.424 148 I N -0.319 120.200 120.570 -0.085 0.000 2.361 148 I HA -0.328 3.693 4.170 -0.248 0.000 0.251 148 I C 1.742 177.834 176.117 -0.042 0.000 1.133 148 I CA 0.759 61.914 61.300 -0.241 0.000 1.413 148 I CB -1.502 36.118 38.000 -0.633 0.000 1.073 148 I HN -0.250 7.927 8.210 -0.055 0.000 0.424 149 L N -2.006 119.333 121.223 0.192 0.000 2.141 149 L HA -0.319 4.222 4.340 0.334 0.000 0.209 149 L C 2.293 179.216 176.870 0.087 0.000 1.094 149 L CA 2.879 57.848 54.840 0.214 0.000 0.763 149 L CB -0.764 41.392 42.059 0.161 0.000 0.908 149 L HN 0.259 8.592 8.230 0.173 0.000 0.437 150 E N -0.667 119.557 120.200 0.040 0.000 2.023 150 E HA -0.409 3.952 4.350 0.019 0.000 0.196 150 E C 2.905 179.509 176.600 0.007 0.000 1.003 150 E CA 3.479 59.888 56.400 0.016 0.000 0.809 150 E CB -0.283 29.418 29.700 0.002 0.000 0.755 150 E HN -0.472 7.806 8.360 0.034 0.103 0.449 151 E N -2.037 118.157 120.200 -0.010 0.000 2.140 151 E HA -0.040 4.302 4.350 -0.013 0.000 0.191 151 E C 1.690 178.281 176.600 -0.015 0.000 0.973 151 E CA 1.377 57.765 56.400 -0.020 0.000 0.829 151 E CB 0.536 30.213 29.700 -0.039 0.000 0.781 151 E HN -0.732 7.615 8.360 -0.021 0.000 0.466 152 S N 1.177 116.868 115.700 -0.014 0.000 3.829 152 S HA -0.098 4.377 4.470 0.010 0.000 0.250 152 S C -1.037 173.596 174.600 0.055 0.000 1.263 152 S CA -0.381 57.834 58.200 0.025 0.000 0.955 152 S CB -0.939 62.291 63.200 0.050 0.000 1.611 152 S HN -0.703 7.591 8.310 -0.027 0.000 0.483 153 D N 6.586 127.003 120.400 0.028 0.000 2.389 153 D HA -0.210 4.741 4.640 0.028 -0.295 0.263 153 D C 0.176 176.491 176.300 0.025 0.000 1.255 153 D CA 1.036 55.051 54.000 0.024 0.000 0.914 153 D CB 0.294 41.100 40.800 0.011 0.000 1.116 153 D HN -0.445 7.883 8.370 0.014 0.050 0.502 154 I N 6.450 127.038 120.570 0.030 0.000 2.480 154 I HA -0.089 4.085 4.170 0.008 0.000 0.251 154 I C -1.022 175.097 176.117 0.004 0.000 1.124 154 I CA 0.448 61.757 61.300 0.014 0.000 1.444 154 I CB 1.271 39.279 38.000 0.013 0.000 1.098 154 I HN 0.005 8.242 8.210 0.045 0.000 0.428 155 D N -0.489 119.915 120.400 0.007 0.000 2.312 155 D HA -0.045 4.595 4.640 0.001 0.000 0.252 155 D C -0.039 176.263 176.300 0.003 0.000 1.150 155 D CA 1.591 55.593 54.000 0.003 0.000 0.870 155 D CB 0.225 41.028 40.800 0.004 0.000 1.153 155 D HN -0.282 8.095 8.370 0.011 0.000 0.457 156 R N 3.986 124.486 120.500 0.001 0.000 1.568 156 R HA -0.341 3.999 4.340 0.001 0.000 0.105 156 R C -0.332 175.968 176.300 0.000 0.000 0.913 156 R CA 2.070 58.171 56.100 0.001 0.000 1.926 156 R CB -1.124 29.177 30.300 0.002 0.000 0.534 156 R HN 0.612 8.882 8.270 0.000 0.000 0.695 157 D N -0.558 119.842 120.400 -0.000 0.000 2.084 157 D HA -0.141 4.498 4.640 -0.002 0.000 0.199 157 D C 1.196 177.492 176.300 -0.005 0.000 0.981 157 D CA 1.943 55.942 54.000 -0.002 0.000 0.841 157 D CB 0.962 41.761 40.800 -0.001 0.000 0.997 157 D HN -0.174 8.129 8.370 0.001 0.068 0.454 158 G N -0.181 108.613 108.800 -0.009 0.000 5.229 158 G HA2 -0.485 3.467 3.960 -0.014 0.000 0.250 158 G HA3 -0.485 3.471 3.960 -0.007 0.000 0.250 158 G C -1.187 173.703 174.900 -0.017 0.000 1.380 158 G CA 0.544 45.637 45.100 -0.012 0.000 0.933 158 G HN 0.240 8.525 8.290 -0.008 0.000 0.731 159 T N 4.082 118.629 114.554 -0.011 0.000 2.806 159 T HA 0.420 4.908 4.350 -0.012 -0.145 0.290 159 T C -1.118 173.576 174.700 -0.010 0.000 0.966 159 T CA -0.174 61.920 62.100 -0.010 0.000 1.060 159 T CB 1.018 69.883 68.868 -0.005 0.000 0.927 159 T HN -0.301 7.866 8.240 -0.008 0.068 0.485 160 I N 7.254 127.818 120.570 -0.011 0.000 2.686 160 I HA 0.342 4.500 4.170 -0.019 0.000 0.295 160 I C -2.756 173.358 176.117 -0.006 0.000 1.114 160 I CA -2.662 58.622 61.300 -0.026 0.000 1.038 160 I CB 4.921 42.880 38.000 -0.069 0.000 1.238 160 I HN 0.950 9.049 8.210 -0.007 0.107 0.420 161 N N 7.185 125.868 118.700 -0.029 0.000 2.430 161 N HA 0.055 4.973 4.740 0.034 -0.158 0.265 161 N C 0.410 175.740 175.510 -0.299 0.000 1.100 161 N CA -0.767 52.234 53.050 -0.081 0.000 0.961 161 N CB 0.487 38.953 38.487 -0.034 0.000 1.075 161 N HN 0.208 8.566 8.380 -0.037 0.000 0.478 162 L N 4.554 125.359 121.223 -0.696 0.000 2.456 162 L HA -0.201 3.920 4.340 -0.366 0.000 0.224 162 L C 0.851 177.290 176.870 -0.718 0.000 1.148 162 L CA 1.443 55.833 54.840 -0.750 0.000 0.825 162 L CB -0.039 41.446 42.059 -0.956 0.000 0.937 162 L HN 0.630 8.345 8.230 -0.859 0.000 0.450 163 S N 0.002 115.288 115.700 -0.691 0.000 2.393 163 S HA -0.514 3.785 4.470 -0.639 -0.212 0.234 163 S C 2.184 176.424 174.600 -0.599 0.000 1.064 163 S CA 3.598 61.478 58.200 -0.533 0.000 1.088 163 S CB -0.644 62.404 63.200 -0.253 0.000 0.939 163 S HN 0.118 7.953 8.310 -0.690 0.061 0.448 164 E N -0.047 119.948 120.200 -0.342 0.000 2.031 164 E HA -0.315 3.900 4.350 -0.224 0.000 0.193 164 E C 2.297 178.788 176.600 -0.183 0.000 0.994 164 E CA 2.744 59.011 56.400 -0.222 0.000 0.800 164 E CB -0.201 29.442 29.700 -0.094 0.000 0.752 164 E HN -0.844 7.511 8.360 -0.274 -0.160 0.447 165 F N -0.286 119.493 119.950 -0.286 0.000 2.269 165 F HA -0.334 4.094 4.527 -0.166 0.000 0.301 165 F C 1.720 177.373 175.800 -0.244 0.000 1.082 165 F CA 2.917 60.776 58.000 -0.234 0.000 1.360 165 F CB 0.427 39.295 39.000 -0.219 0.000 1.041 165 F HN -0.604 7.590 8.300 -0.063 0.068 0.512 166 Q N 0.670 120.362 119.800 -0.181 0.000 2.046 166 Q HA -0.401 3.882 4.340 -0.095 0.000 0.200 166 Q C 2.056 178.008 176.000 -0.079 0.000 0.975 166 Q CA 3.449 59.141 55.803 -0.186 0.000 0.836 166 Q CB -1.164 27.392 28.738 -0.303 0.000 0.896 166 Q HN 0.744 8.724 8.270 -0.314 0.101 0.428 167 H N 0.355 119.329 119.070 -0.160 0.000 2.390 167 H HA -0.215 4.282 4.556 -0.099 0.000 0.298 167 H C 1.758 177.004 175.328 -0.137 0.000 1.106 167 H CA 1.875 57.850 56.048 -0.122 0.000 1.297 167 H CB 0.027 29.731 29.762 -0.097 0.000 1.375 167 H HN -0.754 7.326 8.280 -0.333 0.000 0.509 168 V N -3.839 116.024 119.914 -0.086 0.000 2.591 168 V HA -0.245 3.799 4.120 -0.126 0.000 0.249 168 V C 1.554 177.532 176.094 -0.193 0.000 1.053 168 V CA 2.838 65.025 62.300 -0.188 0.000 1.068 168 V CB 0.065 31.699 31.823 -0.316 0.000 0.689 168 V HN -0.641 7.465 8.190 -0.118 0.013 0.462 169 I N -2.796 117.674 120.570 -0.168 0.000 2.546 169 I HA -0.284 3.827 4.170 -0.099 0.000 0.255 169 I C 1.556 177.641 176.117 -0.053 0.000 1.163 169 I CA 3.009 64.256 61.300 -0.089 0.000 1.457 169 I CB -0.551 37.431 38.000 -0.030 0.000 1.092 169 I HN -0.431 7.596 8.210 -0.171 0.080 0.434 170 S N -0.585 115.090 115.700 -0.041 0.000 2.528 170 S HA -0.299 4.155 4.470 -0.026 0.000 0.244 170 S C 1.347 175.927 174.600 -0.034 0.000 0.982 170 S CA 1.972 60.155 58.200 -0.028 0.000 0.953 170 S CB -0.540 62.656 63.200 -0.007 0.000 0.754 170 S HN 0.274 8.560 8.310 -0.040 0.000 0.529 171 R N -0.324 120.150 120.500 -0.044 0.000 2.083 171 R HA -0.187 4.130 4.340 -0.038 0.000 0.237 171 R C 0.853 177.134 176.300 -0.031 0.000 1.137 171 R CA 2.238 58.313 56.100 -0.042 0.000 0.951 171 R CB 0.469 30.736 30.300 -0.054 0.000 0.851 171 R HN -0.604 7.549 8.270 -0.055 0.084 0.434 172 S N -4.789 110.895 115.700 -0.028 0.000 4.257 172 S HA 0.286 4.749 4.470 -0.012 0.000 0.208 172 S C -2.484 172.114 174.600 -0.003 0.000 1.152 172 S CA 0.911 59.102 58.200 -0.014 0.000 1.110 172 S CB 0.629 63.822 63.200 -0.012 0.000 1.434 172 S HN -0.171 8.119 8.310 -0.034 0.000 0.509 173 P HA 0.270 4.707 4.420 0.029 0.000 0.287 173 P C -1.735 175.583 177.300 0.028 0.000 1.281 173 P CA 0.298 63.410 63.100 0.020 0.000 0.781 173 P CB 0.756 32.467 31.700 0.017 0.000 0.903 174 D N 0.539 120.973 120.400 0.056 0.000 2.573 174 D HA -0.046 4.758 4.640 0.062 -0.127 0.118 174 D C 0.211 176.598 176.300 0.146 0.000 1.480 174 D CA 0.727 54.780 54.000 0.090 0.000 1.470 174 D CB 0.561 41.420 40.800 0.098 0.000 2.083 174 D HN -0.188 8.213 8.370 0.052 0.000 0.220 175 F N 1.440 121.407 119.950 0.028 0.000 2.641 175 F HA -0.136 4.435 4.527 0.074 0.000 0.298 175 F C 0.679 176.513 175.800 0.058 0.000 1.146 175 F CA 1.465 59.504 58.000 0.065 0.000 1.464 175 F CB 0.045 39.107 39.000 0.104 0.000 1.101 175 F HN 0.314 8.788 8.300 0.291 0.000 0.585 176 A N -2.597 120.212 122.820 -0.018 0.000 1.997 176 A HA -0.443 3.745 4.320 -0.219 0.000 0.221 176 A C 1.946 179.460 177.584 -0.117 0.000 1.172 176 A CA 2.406 54.368 52.037 -0.125 0.000 0.645 176 A CB -0.481 18.461 19.000 -0.096 0.000 0.813 176 A HN -0.019 8.102 8.150 0.052 0.059 0.454 177 S N -0.960 114.684 115.700 -0.092 0.000 2.365 177 S HA -0.344 4.072 4.470 -0.089 0.000 0.221 177 S C 1.023 175.527 174.600 -0.161 0.000 1.037 177 S CA 3.376 61.517 58.200 -0.099 0.000 1.060 177 S CB -0.166 63.004 63.200 -0.049 0.000 0.974 177 S HN -0.417 7.820 8.310 -0.054 0.041 0.427 178 S N 0.436 115.976 115.700 -0.266 0.000 2.596 178 S HA 0.094 4.437 4.470 -0.211 0.000 0.248 178 S C -0.726 173.438 174.600 -0.727 0.000 1.162 178 S CA -1.416 56.568 58.200 -0.360 0.000 1.185 178 S CB -0.759 62.330 63.200 -0.186 0.000 0.833 178 S HN 0.115 8.293 8.310 -0.220 0.000 0.472 179 F N 5.278 124.784 119.950 -0.739 0.000 2.626 179 F HA 0.048 4.182 4.527 -0.655 0.000 0.353 179 F C -2.376 173.357 175.800 -0.113 0.000 1.230 179 F CA -0.878 56.812 58.000 -0.517 0.000 1.298 179 F CB -0.459 38.324 39.000 -0.362 0.000 1.670 179 F HN -0.576 7.475 8.300 -0.278 0.082 0.633 180 K N 3.153 123.511 120.400 -0.069 0.000 2.433 180 K HA 0.603 5.134 4.320 0.131 -0.132 0.252 180 K C -1.778 174.838 176.600 0.027 0.000 1.015 180 K CA -2.317 53.990 56.287 0.033 0.000 0.860 180 K CB 3.129 35.605 32.500 -0.041 0.000 1.359 180 K HN -0.587 7.515 8.250 -0.150 0.057 0.452 181 I N -0.069 120.505 120.570 0.007 0.000 2.846 181 I HA 0.214 4.333 4.170 -0.085 0.000 0.307 181 I C -0.981 175.116 176.117 -0.033 0.000 1.053 181 I CA -2.167 59.093 61.300 -0.068 0.000 1.050 181 I CB 3.479 41.380 38.000 -0.166 0.000 1.239 181 I HN 0.306 8.542 8.210 0.044 0.000 0.439 182 V N 5.239 125.135 119.914 -0.032 0.000 2.383 182 V HA 0.077 4.193 4.120 -0.008 0.000 0.275 182 V C -0.569 175.518 176.094 -0.012 0.000 1.036 182 V CA 0.060 62.352 62.300 -0.013 0.000 0.889 182 V CB 0.414 32.235 31.823 -0.003 0.000 0.985 182 V HN 0.093 8.254 8.190 -0.048 0.000 0.459 183 L N 0.000 121.222 121.223 -0.001 0.000 2.949 183 L HA 0.000 4.349 4.340 0.015 0.000 0.249 183 L CA 0.000 54.848 54.840 0.014 0.000 0.813 183 L CB 0.000 42.068 42.059 0.015 0.000 0.961 183 L HN 0.000 8.231 8.230 0.002 0.000 0.502