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 1klq_1_A DATA FIRST_RESID 11 DATA SEQUENCE GSITLRGSAE IVAEFFSFGI NSILYQRGIY PSETFTRVQK YGLTLLVTTD DATA SEQUENCE LELIKYLNNV VEQLKDWLYK CSVQKLVVVI SNIESGEVLE RWQFDIECDK DATA SEQUENCE TAKDDSAPRE KSQKAIQDEI RSVIRQITAT VTFLPLLEVS CSFDLLIYTD DATA SEQUENCE KDLVVPEKWE ESGPQFITNS EEVRLRSFTT TIHKVNSMVA YKIPVND 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 11 G C 0.000 174.904 174.900 0.006 0.000 0.946 11 G CA 0.000 45.103 45.100 0.005 0.000 0.502 12 S N 0.678 116.383 115.700 0.008 0.000 2.525 12 S HA 0.194 4.669 4.470 0.008 0.000 0.242 12 S C 0.278 174.884 174.600 0.011 0.000 1.164 12 S CA -0.527 57.678 58.200 0.008 0.000 1.154 12 S CB 0.168 63.372 63.200 0.008 0.000 0.875 12 S HN 0.000 8.315 8.310 0.008 0.000 0.482 13 I N -2.696 117.881 120.570 0.012 0.000 3.494 13 I HA 0.055 4.237 4.170 0.019 0.000 0.266 13 I C -0.502 175.626 176.117 0.019 0.000 1.264 13 I CA 0.844 62.155 61.300 0.017 0.000 1.230 13 I CB 0.704 38.714 38.000 0.017 0.000 1.420 13 I HN -0.516 7.634 8.210 0.010 0.066 0.675 14 T N -0.700 113.870 114.554 0.028 0.000 3.536 14 T HA 0.035 4.396 4.350 0.019 0.000 0.242 14 T C 1.160 175.887 174.700 0.045 0.000 0.980 14 T CA 0.587 62.703 62.100 0.026 0.000 1.132 14 T CB 0.564 69.442 68.868 0.017 0.000 1.185 14 T HN -0.374 7.888 8.240 0.037 0.000 0.374 15 L N 1.301 122.571 121.223 0.078 0.000 2.156 15 L HA 0.090 4.506 4.340 0.126 0.000 0.208 15 L C 1.704 178.716 176.870 0.238 0.000 1.095 15 L CA 2.456 57.404 54.840 0.180 0.000 0.770 15 L CB -0.609 41.580 42.059 0.218 0.000 0.914 15 L HN -0.111 8.159 8.230 0.067 0.000 0.439 16 R N -1.591 118.979 120.500 0.116 0.000 2.133 16 R HA -0.347 3.979 4.340 -0.023 0.000 0.247 16 R C 2.338 178.642 176.300 0.007 0.000 1.151 16 R CA 3.607 59.724 56.100 0.027 0.000 0.971 16 R CB -0.856 29.451 30.300 0.011 0.000 0.866 16 R HN 0.535 8.846 8.270 0.098 0.018 0.447 17 G N -2.364 106.449 108.800 0.021 0.000 2.453 17 G HA2 -0.279 3.677 3.960 -0.007 0.000 0.215 17 G HA3 -0.279 3.677 3.960 -0.007 0.000 0.215 17 G C 0.707 175.591 174.900 -0.026 0.000 1.201 17 G CA 1.777 46.874 45.100 -0.004 0.000 0.784 17 G HN -0.499 7.794 8.290 0.034 0.017 0.545 18 S N 2.877 118.559 115.700 -0.031 0.000 2.368 18 S HA -0.433 3.855 4.470 -0.303 0.000 0.225 18 S C 2.009 176.631 174.600 0.036 0.000 1.030 18 S CA 2.914 61.049 58.200 -0.110 0.000 0.999 18 S CB -0.338 62.805 63.200 -0.096 0.000 0.844 18 S HN -0.730 7.584 8.310 0.007 0.000 0.459 19 A N 1.820 124.682 122.820 0.070 0.000 1.972 19 A HA -0.249 3.911 4.320 -0.267 0.000 0.219 19 A C 1.853 179.354 177.584 -0.138 0.000 1.169 19 A CA 2.651 54.527 52.037 -0.269 0.000 0.635 19 A CB -0.964 17.545 19.000 -0.818 0.000 0.810 19 A HN 0.801 8.925 8.150 0.160 0.121 0.446 20 E N -0.105 120.062 120.200 -0.055 0.000 2.017 20 E HA -0.318 4.017 4.350 -0.025 0.000 0.193 20 E C 2.178 178.823 176.600 0.075 0.000 0.997 20 E CA 3.009 59.406 56.400 -0.006 0.000 0.804 20 E CB -0.110 29.587 29.700 -0.005 0.000 0.757 20 E HN -0.360 7.744 8.360 -0.042 0.230 0.448 21 I N -0.155 120.478 120.570 0.105 0.000 2.202 21 I HA -0.450 3.879 4.170 0.264 0.000 0.242 21 I C 1.864 178.205 176.117 0.373 0.000 1.091 21 I CA 4.047 65.498 61.300 0.252 0.000 1.368 21 I CB 0.377 38.528 38.000 0.251 0.000 1.058 21 I HN -0.616 7.623 8.210 0.049 0.000 0.410 22 V N -0.462 119.600 119.914 0.245 0.000 2.469 22 V HA -0.527 3.770 4.120 0.296 0.000 0.251 22 V C 1.964 178.238 176.094 0.300 0.000 1.064 22 V CA 4.007 66.470 62.300 0.271 0.000 1.066 22 V CB -1.627 30.332 31.823 0.227 0.000 0.667 22 V HN 0.646 8.813 8.190 0.149 0.112 0.461 23 A N 0.048 122.974 122.820 0.176 0.000 1.854 23 A HA -0.243 4.144 4.320 0.112 0.000 0.214 23 A C 2.101 179.866 177.584 0.302 0.000 1.192 23 A CA 3.463 55.589 52.037 0.149 0.000 0.611 23 A CB -0.603 18.400 19.000 0.005 0.000 0.832 23 A HN 0.489 8.477 8.150 0.109 0.227 0.442 24 E N -1.135 119.251 120.200 0.309 0.000 2.150 24 E HA -0.315 4.218 4.350 0.306 0.000 0.193 24 E C 2.569 179.508 176.600 0.564 0.000 0.985 24 E CA 2.635 59.269 56.400 0.390 0.000 0.814 24 E CB -0.127 29.773 29.700 0.333 0.000 0.752 24 E HN -0.309 8.203 8.360 0.253 0.000 0.466 25 F N 1.530 121.729 119.950 0.414 0.000 2.102 25 F HA -0.333 4.289 4.527 0.157 0.000 0.298 25 F C 1.778 177.661 175.800 0.138 0.000 1.105 25 F CA 3.817 61.965 58.000 0.248 0.000 1.239 25 F CB 0.350 39.471 39.000 0.201 0.000 0.991 25 F HN 0.662 9.213 8.300 0.641 0.133 0.474 26 F N -0.216 119.923 119.950 0.315 0.000 2.113 26 F HA -0.425 4.066 4.527 -0.059 0.000 0.297 26 F C 1.506 177.328 175.800 0.036 0.000 1.103 26 F CA 2.606 60.673 58.000 0.112 0.000 1.248 26 F CB 0.121 39.258 39.000 0.228 0.000 0.999 26 F HN 0.039 8.626 8.300 0.656 0.106 0.475 27 S N 0.391 116.281 115.700 0.318 0.000 2.399 27 S HA -0.397 3.995 4.470 -0.131 0.000 0.231 27 S C 2.465 176.987 174.600 -0.130 0.000 1.022 27 S CA 3.370 61.606 58.200 0.060 0.000 0.983 27 S CB -0.269 63.044 63.200 0.188 0.000 0.803 27 S HN 0.075 8.751 8.310 0.610 0.000 0.480 28 F N 3.145 123.030 119.950 -0.108 0.000 2.149 28 F HA -0.021 4.438 4.527 -0.112 0.000 0.294 28 F C 2.277 177.885 175.800 -0.322 0.000 1.095 28 F CA 3.389 61.290 58.000 -0.166 0.000 1.276 28 F CB 0.280 39.209 39.000 -0.117 0.000 1.023 28 F HN 0.142 8.377 8.300 0.235 0.206 0.480 29 G N -0.775 107.898 108.800 -0.212 0.000 2.422 29 G HA2 -0.328 3.404 3.960 -0.380 0.000 0.218 29 G HA3 -0.328 3.355 3.960 -0.462 0.000 0.218 29 G C 1.572 176.146 174.900 -0.543 0.000 1.146 29 G CA 2.144 46.995 45.100 -0.416 0.000 0.769 29 G HN 0.389 8.470 8.290 -0.167 0.109 0.547 30 I N 1.747 121.958 120.570 -0.599 0.000 2.163 30 I HA -0.474 3.391 4.170 -0.508 0.000 0.240 30 I C 1.327 177.284 176.117 -0.267 0.000 1.081 30 I CA 3.701 64.686 61.300 -0.525 0.000 1.353 30 I CB -0.828 36.694 38.000 -0.795 0.000 1.054 30 I HN 0.480 8.184 8.210 -0.629 0.128 0.407 31 N N -0.117 118.445 118.700 -0.231 0.000 2.061 31 N HA -0.458 4.262 4.740 -0.034 0.000 0.193 31 N C 2.254 177.659 175.510 -0.175 0.000 1.030 31 N CA 4.044 57.015 53.050 -0.132 0.000 0.856 31 N CB -0.112 38.275 38.487 -0.165 0.000 1.023 31 N HN -0.303 7.799 8.380 -0.284 0.107 0.424 32 S N -0.817 114.753 115.700 -0.216 0.000 2.387 32 S HA -0.295 4.042 4.470 -0.222 0.000 0.230 32 S C 1.649 176.065 174.600 -0.307 0.000 1.035 32 S CA 3.470 61.522 58.200 -0.245 0.000 1.014 32 S CB -0.153 62.908 63.200 -0.231 0.000 0.836 32 S HN -0.293 7.895 8.310 -0.204 0.000 0.466 33 I N 0.629 120.973 120.570 -0.377 0.000 2.163 33 I HA -0.448 3.403 4.170 -0.532 0.000 0.243 33 I C 1.701 177.721 176.117 -0.163 0.000 1.085 33 I CA 2.743 63.804 61.300 -0.397 0.000 1.347 33 I CB -1.402 36.346 38.000 -0.419 0.000 1.044 33 I HN -0.809 7.036 8.210 -0.397 0.127 0.408 34 L N -1.076 120.087 121.223 -0.100 0.000 2.042 34 L HA -0.527 3.802 4.340 -0.019 0.000 0.210 34 L C 2.685 179.426 176.870 -0.215 0.000 1.076 34 L CA 3.407 58.199 54.840 -0.080 0.000 0.749 34 L CB -0.827 41.295 42.059 0.104 0.000 0.893 34 L HN -0.437 7.739 8.230 -0.091 0.000 0.432 35 Y N -0.369 119.555 120.300 -0.626 0.000 2.163 35 Y HA -0.384 3.662 4.550 -0.840 0.000 0.288 35 Y C 2.174 177.864 175.900 -0.349 0.000 1.136 35 Y CA 1.841 59.441 58.100 -0.833 0.000 1.147 35 Y CB -0.367 37.320 38.460 -1.290 0.000 0.987 35 Y HN -0.647 7.404 8.280 -0.382 0.000 0.509 36 Q N -3.191 116.521 119.800 -0.147 0.000 2.135 36 Q HA -0.341 3.889 4.340 -0.184 0.000 0.204 36 Q C 1.686 177.695 176.000 0.016 0.000 0.981 36 Q CA 2.482 58.217 55.803 -0.114 0.000 0.856 36 Q CB -0.063 28.607 28.738 -0.113 0.000 0.902 36 Q HN 0.097 8.246 8.270 -0.201 0.000 0.425 37 R N -4.325 116.196 120.500 0.035 0.000 2.046 37 R HA -0.121 4.304 4.340 0.142 0.000 0.223 37 R C 0.559 176.913 176.300 0.089 0.000 1.179 37 R CA -0.147 56.015 56.100 0.104 0.000 0.952 37 R CB 2.125 32.512 30.300 0.146 0.000 0.843 37 R HN 0.268 8.316 8.270 -0.019 0.210 0.439 38 G N -3.950 104.881 108.800 0.052 0.000 2.414 38 G HA2 -0.117 3.867 3.960 0.030 0.000 0.191 38 G HA3 -0.117 3.884 3.960 0.068 0.000 0.191 38 G C -0.630 174.284 174.900 0.024 0.000 1.082 38 G CA -0.590 44.534 45.100 0.041 0.000 0.785 38 G HN 0.261 8.467 8.290 0.018 0.095 0.484 39 I N -0.405 120.163 120.570 -0.004 0.000 3.428 39 I HA -0.061 4.141 4.170 0.054 0.000 0.286 39 I C -1.146 175.103 176.117 0.221 0.000 1.287 39 I CA 0.705 62.044 61.300 0.065 0.000 1.396 39 I CB -0.087 37.889 38.000 -0.040 0.000 1.062 39 I HN -0.643 7.532 8.210 -0.058 0.000 0.471 40 Y N -8.214 112.106 120.300 0.033 0.000 2.765 40 Y HA 0.246 4.784 4.550 -0.019 0.000 0.350 40 Y C -3.029 172.860 175.900 -0.019 0.000 1.196 40 Y CA -3.120 54.980 58.100 0.000 0.000 1.119 40 Y CB -0.995 37.450 38.460 -0.025 0.000 1.368 40 Y HN -0.831 7.280 8.280 -0.179 0.062 0.463 41 P HA -0.024 4.303 4.420 -0.156 0.000 0.261 41 P C 0.377 177.327 177.300 -0.584 0.000 1.165 41 P CA 0.299 63.288 63.100 -0.185 0.000 0.759 41 P CB 0.892 32.529 31.700 -0.106 0.000 0.772 42 S N 2.590 117.894 115.700 -0.660 0.000 2.474 42 S HA -0.330 2.321 4.470 -3.030 0.000 0.235 42 S C 2.115 176.010 174.600 -1.175 0.000 0.997 42 S CA 3.085 60.485 58.200 -1.333 0.000 0.949 42 S CB -0.095 62.813 63.200 -0.486 0.000 0.766 42 S HN 0.555 8.653 8.310 -0.354 0.000 0.517 43 E N -0.451 119.384 120.200 -0.610 0.000 2.515 43 E HA -0.175 3.981 4.350 -0.323 0.000 0.201 43 E C 0.506 176.877 176.600 -0.381 0.000 1.071 43 E CA 1.539 57.709 56.400 -0.383 0.000 0.880 43 E CB -0.828 28.743 29.700 -0.215 0.000 0.828 43 E HN 0.305 8.336 8.360 -0.467 0.049 0.540 44 T N -2.163 112.049 114.554 -0.570 0.000 3.022 44 T HA 0.065 4.306 4.350 -0.181 0.000 0.250 44 T C -0.684 173.906 174.700 -0.183 0.000 1.060 44 T CA 0.513 62.443 62.100 -0.284 0.000 1.013 44 T CB 0.950 69.781 68.868 -0.062 0.000 0.982 44 T HN -0.525 7.054 8.240 -0.938 0.098 0.508 45 F N 0.495 120.407 119.950 -0.063 0.000 2.450 45 F HA 0.416 4.983 4.527 -0.006 -0.043 0.328 45 F C -0.346 175.431 175.800 -0.039 0.000 1.068 45 F CA -2.267 55.698 58.000 -0.058 0.000 1.007 45 F CB 1.200 40.129 39.000 -0.118 0.000 1.251 45 F HN -0.676 6.854 8.300 -1.283 0.000 0.492 46 T N 1.415 116.100 114.554 0.219 0.000 2.824 46 T HA 0.231 4.657 4.350 0.126 0.000 0.282 46 T C -1.141 173.657 174.700 0.164 0.000 0.993 46 T CA -2.232 59.954 62.100 0.143 0.000 0.967 46 T CB 2.073 70.990 68.868 0.082 0.000 0.960 46 T HN 1.067 9.307 8.240 0.233 0.139 0.441 47 R N 8.119 128.713 120.500 0.157 0.000 2.265 47 R HA 0.028 4.468 4.340 0.167 0.000 0.314 47 R C -1.069 175.306 176.300 0.125 0.000 1.053 47 R CA 0.033 56.222 56.100 0.148 0.000 0.931 47 R CB 0.502 30.881 30.300 0.131 0.000 1.024 47 R HN 0.500 8.855 8.270 0.141 0.000 0.457 48 V N 0.796 120.802 119.914 0.154 0.000 3.167 48 V HA 0.559 4.740 4.120 0.101 0.000 0.310 48 V C -2.802 173.350 176.094 0.096 0.000 1.207 48 V CA -2.524 59.862 62.300 0.143 0.000 1.059 48 V CB 4.205 36.160 31.823 0.220 0.000 1.079 48 V HN 1.102 9.279 8.190 0.187 0.126 0.446 49 Q N 1.129 120.962 119.800 0.054 0.000 2.506 49 Q HA 0.354 4.766 4.340 -0.025 -0.087 0.242 49 Q C -1.227 174.745 176.000 -0.047 0.000 1.060 49 Q CA -0.671 55.128 55.803 -0.006 0.000 0.826 49 Q CB 0.661 29.396 28.738 -0.006 0.000 1.169 49 Q HN 0.357 8.665 8.270 0.064 0.000 0.521 50 K N 2.691 123.009 120.400 -0.137 0.000 2.295 50 K HA 0.229 4.439 4.320 -0.184 0.000 0.239 50 K C -0.294 176.236 176.600 -0.117 0.000 0.991 50 K CA -2.043 54.103 56.287 -0.236 0.000 0.845 50 K CB 2.407 34.578 32.500 -0.549 0.000 1.197 50 K HN 0.328 8.475 8.250 -0.172 0.000 0.441 51 Y N -2.909 117.220 120.300 -0.286 0.000 4.538 51 Y HA -0.386 4.070 4.550 -0.157 0.000 0.225 51 Y C -0.440 175.362 175.900 -0.163 0.000 1.074 51 Y CA 1.016 58.979 58.100 -0.228 0.000 1.942 51 Y CB -2.354 35.905 38.460 -0.336 0.000 1.618 51 Y HN 0.677 8.637 8.280 -0.534 0.000 0.642 52 G N -5.507 103.269 108.800 -0.040 0.000 2.176 52 G HA2 -0.328 3.608 3.960 -0.040 0.000 0.253 52 G HA3 -0.328 3.619 3.960 -0.022 0.000 0.253 52 G C -0.572 174.306 174.900 -0.037 0.000 0.979 52 G CA 0.004 45.084 45.100 -0.034 0.000 0.641 52 G HN 0.003 8.174 8.290 -0.084 0.070 0.530 53 L N -5.559 115.633 121.223 -0.052 0.000 2.341 53 L HA 0.590 4.902 4.340 -0.048 0.000 0.254 53 L C -1.868 174.953 176.870 -0.080 0.000 1.040 53 L CA -2.378 52.423 54.840 -0.065 0.000 0.837 53 L CB 0.560 42.574 42.059 -0.076 0.000 1.425 53 L HN -0.185 7.827 8.230 -0.053 0.187 0.414 54 T N 1.680 116.197 114.554 -0.062 0.000 2.761 54 T HA 0.224 4.733 4.350 -0.028 -0.176 0.296 54 T C -0.854 173.810 174.700 -0.060 0.000 0.934 54 T CA 1.374 63.448 62.100 -0.042 0.000 1.091 54 T CB 0.151 69.008 68.868 -0.018 0.000 0.896 54 T HN -0.128 8.080 8.240 -0.053 0.000 0.515 55 L N 2.749 123.956 121.223 -0.027 0.000 2.393 55 L HA 0.529 4.850 4.340 -0.030 0.000 0.260 55 L C -2.425 174.559 176.870 0.190 0.000 1.002 55 L CA -1.946 52.903 54.840 0.015 0.000 0.818 55 L CB 2.761 44.750 42.059 -0.118 0.000 1.369 55 L HN 0.987 9.091 8.230 0.008 0.131 0.412 56 L N 0.469 121.788 121.223 0.160 0.000 2.360 56 L HA 0.528 5.092 4.340 0.188 -0.111 0.271 56 L C -1.609 175.334 176.870 0.122 0.000 1.057 56 L CA -0.714 54.223 54.840 0.161 0.000 0.803 56 L CB 2.242 44.376 42.059 0.126 0.000 1.207 56 L HN -0.128 8.148 8.230 0.078 0.000 0.445 57 V N 0.002 119.953 119.914 0.061 0.000 3.160 57 V HA 0.313 4.322 4.120 -0.185 0.000 0.310 57 V C -1.655 174.475 176.094 0.060 0.000 1.181 57 V CA -1.782 60.461 62.300 -0.095 0.000 1.047 57 V CB 4.275 35.930 31.823 -0.281 0.000 1.068 57 V HN 1.055 9.190 8.190 0.125 0.129 0.441 58 T N 2.009 116.588 114.554 0.042 0.000 2.900 58 T HA 0.545 5.129 4.350 0.225 -0.099 0.295 58 T C -0.789 173.928 174.700 0.027 0.000 1.044 58 T CA -1.024 61.175 62.100 0.165 0.000 0.995 58 T CB 2.263 71.368 68.868 0.395 0.000 1.072 58 T HN 0.358 8.682 8.240 -0.070 -0.126 0.473 59 T N -0.204 114.361 114.554 0.017 0.000 3.223 59 T HA 0.181 4.504 4.350 -0.045 0.000 0.259 59 T C -0.475 174.187 174.700 -0.062 0.000 1.015 59 T CA -1.383 60.697 62.100 -0.032 0.000 0.908 59 T CB 0.834 69.685 68.868 -0.027 0.000 1.054 59 T HN 0.169 8.439 8.240 0.050 0.000 0.567 60 D N 0.973 121.315 120.400 -0.096 0.000 2.389 60 D HA -0.106 4.443 4.640 -0.152 0.000 0.263 60 D C 0.632 176.856 176.300 -0.127 0.000 1.255 60 D CA -0.260 53.636 54.000 -0.172 0.000 0.914 60 D CB -0.631 39.935 40.800 -0.389 0.000 1.116 60 D HN -0.553 7.689 8.370 -0.069 0.087 0.502 61 L N 3.764 124.929 121.223 -0.096 0.000 1.994 61 L HA -0.465 3.839 4.340 -0.060 0.000 0.208 61 L C 1.486 178.321 176.870 -0.057 0.000 1.071 61 L CA 4.503 59.303 54.840 -0.067 0.000 0.745 61 L CB -0.193 41.835 42.059 -0.052 0.000 0.892 61 L HN 0.205 8.378 8.230 -0.095 0.000 0.431 62 E N -0.861 119.300 120.200 -0.065 0.000 2.049 62 E HA -0.317 4.024 4.350 -0.016 0.000 0.198 62 E C 2.249 178.855 176.600 0.010 0.000 1.007 62 E CA 2.799 59.178 56.400 -0.035 0.000 0.809 62 E CB -1.064 28.602 29.700 -0.057 0.000 0.749 62 E HN 0.148 8.459 8.360 -0.083 0.000 0.450 63 L N -0.874 120.330 121.223 -0.032 0.000 2.017 63 L HA -0.284 4.270 4.340 0.357 0.000 0.208 63 L C 1.628 178.486 176.870 -0.020 0.000 1.073 63 L CA 2.976 57.866 54.840 0.084 0.000 0.745 63 L CB -0.159 41.849 42.059 -0.085 0.000 0.894 63 L HN -0.421 7.734 8.230 -0.124 0.000 0.432 64 I N -0.975 119.547 120.570 -0.080 0.000 2.315 64 I HA -0.630 3.461 4.170 -0.132 0.000 0.251 64 I C 2.240 178.313 176.117 -0.072 0.000 1.125 64 I CA 4.316 65.558 61.300 -0.096 0.000 1.392 64 I CB -0.360 37.595 38.000 -0.075 0.000 1.065 64 I HN 0.654 8.688 8.210 -0.089 0.123 0.424 65 K N -0.731 119.656 120.400 -0.023 0.000 2.155 65 K HA -0.240 4.077 4.320 -0.005 0.000 0.203 65 K C 1.903 178.537 176.600 0.056 0.000 1.052 65 K CA 2.525 58.818 56.287 0.009 0.000 0.948 65 K CB -0.648 31.863 32.500 0.018 0.000 0.728 65 K HN 0.398 8.413 8.250 -0.016 0.225 0.448 66 Y N -0.022 120.287 120.300 0.016 0.000 2.163 66 Y HA -0.187 4.375 4.550 0.020 0.000 0.288 66 Y C 1.522 177.483 175.900 0.101 0.000 1.136 66 Y CA 2.013 60.140 58.100 0.044 0.000 1.147 66 Y CB -0.594 37.897 38.460 0.052 0.000 0.987 66 Y HN -0.754 7.468 8.280 0.148 0.147 0.509 67 L N -1.857 118.929 121.223 -0.729 0.000 2.217 67 L HA -0.421 3.610 4.340 -0.515 0.000 0.211 67 L C 2.220 179.011 176.870 -0.131 0.000 1.107 67 L CA 2.570 57.086 54.840 -0.540 0.000 0.783 67 L CB -0.722 41.055 42.059 -0.470 0.000 0.919 67 L HN 0.694 8.401 8.230 -0.692 0.107 0.442 68 N N 0.383 119.031 118.700 -0.086 0.000 2.084 68 N HA -0.358 4.366 4.740 -0.027 0.000 0.190 68 N C 2.210 177.730 175.510 0.017 0.000 1.030 68 N CA 3.834 56.869 53.050 -0.025 0.000 0.849 68 N CB -0.370 38.108 38.487 -0.016 0.000 1.012 68 N HN 0.053 8.152 8.380 -0.110 0.215 0.423 69 N N 0.099 118.827 118.700 0.047 0.000 2.166 69 N HA -0.194 4.595 4.740 0.082 0.000 0.186 69 N C 2.439 178.041 175.510 0.154 0.000 1.019 69 N CA 3.033 56.137 53.050 0.091 0.000 0.856 69 N CB -0.255 38.283 38.487 0.084 0.000 0.993 69 N HN -0.576 7.828 8.380 0.041 0.000 0.426 70 V N 0.725 120.735 119.914 0.161 0.000 2.307 70 V HA -0.370 4.028 4.120 0.464 0.000 0.245 70 V C 2.146 178.289 176.094 0.082 0.000 1.045 70 V CA 3.911 66.364 62.300 0.254 0.000 1.024 70 V CB -0.373 31.622 31.823 0.288 0.000 0.651 70 V HN -0.501 7.664 8.190 0.115 0.094 0.449 71 V N 0.167 120.064 119.914 -0.028 0.000 2.358 71 V HA -0.443 3.549 4.120 -0.213 0.000 0.246 71 V C 2.442 178.496 176.094 -0.066 0.000 1.047 71 V CA 4.147 66.383 62.300 -0.106 0.000 1.035 71 V CB -0.934 30.848 31.823 -0.069 0.000 0.658 71 V HN 0.718 8.776 8.190 -0.009 0.127 0.452 72 E N -1.091 119.109 120.200 -0.001 0.000 2.051 72 E HA -0.410 3.932 4.350 -0.014 0.000 0.192 72 E C 2.545 179.173 176.600 0.047 0.000 0.991 72 E CA 3.693 60.103 56.400 0.017 0.000 0.799 72 E CB -0.275 29.451 29.700 0.043 0.000 0.748 72 E HN 0.351 8.609 8.360 0.019 0.114 0.449 73 Q N -0.597 119.283 119.800 0.134 0.000 2.269 73 Q HA -0.130 4.334 4.340 0.207 0.000 0.201 73 Q C 2.872 178.874 176.000 0.003 0.000 0.946 73 Q CA 2.523 58.469 55.803 0.238 0.000 0.877 73 Q CB -0.097 28.978 28.738 0.562 0.000 0.963 73 Q HN -0.269 8.098 8.270 0.162 0.000 0.472 74 L N 1.020 122.167 121.223 -0.126 0.000 2.081 74 L HA -0.464 3.407 4.340 -0.781 0.000 0.212 74 L C 1.463 178.122 176.870 -0.352 0.000 1.080 74 L CA 3.846 58.438 54.840 -0.413 0.000 0.754 74 L CB -0.333 41.524 42.059 -0.337 0.000 0.893 74 L HN 0.678 8.710 8.230 -0.006 0.195 0.433 75 K N -1.891 118.371 120.400 -0.231 0.000 1.991 75 K HA -0.323 3.810 4.320 -0.312 0.000 0.207 75 K C 1.656 178.238 176.600 -0.029 0.000 1.045 75 K CA 3.365 59.536 56.287 -0.193 0.000 0.937 75 K CB -0.258 32.127 32.500 -0.191 0.000 0.720 75 K HN -0.669 7.465 8.250 -0.178 0.009 0.438 76 D N -2.418 117.987 120.400 0.009 0.000 2.084 76 D HA -0.186 4.499 4.640 0.076 0.000 0.196 76 D C 1.733 178.124 176.300 0.152 0.000 0.985 76 D CA 3.292 57.343 54.000 0.086 0.000 0.826 76 D CB 0.795 41.662 40.800 0.112 0.000 0.978 76 D HN -0.653 7.716 8.370 -0.001 0.000 0.456 77 W N -1.567 119.762 121.300 0.049 0.000 2.443 77 W HA -0.060 4.613 4.660 0.020 0.000 0.296 77 W C -0.205 176.310 176.519 -0.007 0.000 1.202 77 W CA 1.486 58.843 57.345 0.020 0.000 1.312 77 W CB 0.374 29.850 29.460 0.027 0.000 1.120 77 W HN -0.010 8.170 8.180 0.226 0.136 0.536 78 L N -1.360 119.362 121.223 -0.835 0.000 2.102 78 L HA -0.167 3.435 4.340 -1.231 0.000 0.202 78 L C 2.695 179.407 176.870 -0.263 0.000 1.076 78 L CA 1.879 56.118 54.840 -1.001 0.000 0.761 78 L CB 0.913 42.235 42.059 -1.228 0.000 0.921 78 L HN -0.510 7.119 8.230 -0.839 0.098 0.444 79 Y N -1.624 118.497 120.300 -0.299 0.000 2.574 79 Y HA -0.312 4.143 4.550 -0.159 0.000 0.294 79 Y C 1.265 177.113 175.900 -0.087 0.000 1.142 79 Y CA 2.259 60.263 58.100 -0.160 0.000 1.314 79 Y CB -0.329 38.058 38.460 -0.121 0.000 0.991 79 Y HN 0.084 8.168 8.280 0.002 0.197 0.555 80 K N -3.014 117.420 120.400 0.058 0.000 2.387 80 K HA -0.039 4.304 4.320 0.038 0.000 0.198 80 K C -0.371 176.257 176.600 0.048 0.000 1.022 80 K CA 1.062 57.382 56.287 0.055 0.000 1.128 80 K CB -0.479 32.073 32.500 0.086 0.000 0.853 80 K HN 0.030 8.256 8.250 0.049 0.053 0.523 81 C N -0.885 118.430 119.300 0.024 0.000 4.015 81 C HA 0.157 4.643 4.460 0.043 0.000 0.323 81 C C -2.019 172.965 174.990 -0.010 0.000 1.724 81 C CA -0.766 58.283 59.018 0.051 0.000 1.828 81 C CB 2.154 30.005 27.740 0.185 0.000 3.083 81 C HN -0.380 7.640 8.230 -0.025 0.195 0.640 82 S N -1.989 113.652 115.700 -0.098 0.000 2.834 82 S HA -0.305 4.033 4.470 -0.220 0.000 0.854 82 S C -2.513 172.003 174.600 -0.139 0.000 0.853 82 S CA 0.177 58.293 58.200 -0.140 0.000 1.494 82 S CB 0.207 63.358 63.200 -0.082 0.000 1.072 82 S HN -0.391 7.844 8.310 -0.124 0.000 0.310 83 V N 4.216 124.013 119.914 -0.194 0.000 2.370 83 V HA 0.400 4.436 4.120 -0.140 0.000 0.283 83 V C -1.274 174.767 176.094 -0.088 0.000 1.023 83 V CA -2.109 60.101 62.300 -0.150 0.000 0.857 83 V CB 1.964 33.698 31.823 -0.147 0.000 0.985 83 V HN 0.163 8.191 8.190 -0.270 0.000 0.443 84 Q N 6.843 126.618 119.800 -0.041 0.000 2.548 84 Q HA 0.542 4.997 4.340 -0.059 -0.151 0.230 84 Q C 0.444 176.404 176.000 -0.066 0.000 0.899 84 Q CA 0.780 56.557 55.803 -0.043 0.000 0.936 84 Q CB 2.909 31.631 28.738 -0.026 0.000 1.114 84 Q HN 0.684 8.948 8.270 -0.010 0.000 0.606 85 K N -1.893 118.477 120.400 -0.051 0.000 2.480 85 K HA 0.309 4.601 4.320 -0.176 -0.077 0.258 85 K C -2.307 174.250 176.600 -0.072 0.000 0.990 85 K CA -0.695 55.480 56.287 -0.187 0.000 0.857 85 K CB 4.007 36.119 32.500 -0.647 0.000 1.384 85 K HN -0.514 7.775 8.250 0.065 0.000 0.446 86 L N 0.518 121.570 121.223 -0.285 0.000 2.436 86 L HA 0.598 5.051 4.340 -0.090 -0.167 0.268 86 L C -2.286 174.342 176.870 -0.404 0.000 0.974 86 L CA -0.919 53.670 54.840 -0.419 0.000 0.826 86 L CB 4.513 45.927 42.059 -1.075 0.000 1.291 86 L HN 0.788 8.696 8.230 -0.375 0.097 0.406 87 V N 4.574 124.431 119.914 -0.096 0.000 2.823 87 V HA 0.276 4.479 4.120 -0.009 -0.089 0.312 87 V C -1.950 174.178 176.094 0.057 0.000 1.072 87 V CA -1.893 60.409 62.300 0.004 0.000 0.937 87 V CB 4.237 36.097 31.823 0.063 0.000 1.013 87 V HN 0.579 8.636 8.190 -0.007 0.129 0.430 88 V N 5.361 125.344 119.914 0.115 0.000 2.482 88 V HA 0.606 4.928 4.120 -0.026 -0.217 0.295 88 V C -1.069 175.050 176.094 0.042 0.000 1.026 88 V CA -1.997 60.337 62.300 0.056 0.000 0.856 88 V CB 2.066 33.964 31.823 0.124 0.000 1.001 88 V HN 0.427 8.616 8.190 0.150 0.091 0.424 89 V N 7.283 127.185 119.914 -0.019 0.000 2.364 89 V HA 0.136 4.300 4.120 0.074 0.000 0.272 89 V C -1.282 174.849 176.094 0.062 0.000 1.036 89 V CA -0.435 61.886 62.300 0.036 0.000 0.880 89 V CB 0.219 32.059 31.823 0.028 0.000 0.991 89 V HN 1.018 9.050 8.190 -0.066 0.118 0.460 90 I N 7.741 128.396 120.570 0.143 0.000 2.355 90 I HA 0.635 5.183 4.170 0.260 -0.222 0.288 90 I C -0.938 175.286 176.117 0.179 0.000 0.999 90 I CA -1.503 59.929 61.300 0.221 0.000 1.163 90 I CB 1.252 39.434 38.000 0.303 0.000 1.316 90 I HN 1.070 9.274 8.210 0.152 0.097 0.454 91 S N 6.063 121.858 115.700 0.159 0.000 2.526 91 S HA 0.465 5.172 4.470 0.123 -0.163 0.293 91 S C -0.929 173.738 174.600 0.112 0.000 1.092 91 S CA -1.541 56.733 58.200 0.123 0.000 0.980 91 S CB 2.968 66.226 63.200 0.097 0.000 1.048 91 S HN 0.317 8.731 8.310 0.173 0.000 0.483 92 N N 3.406 122.163 118.700 0.096 0.000 2.440 92 N HA -0.051 4.740 4.740 0.086 0.000 0.265 92 N C 0.733 176.283 175.510 0.066 0.000 1.239 92 N CA -0.105 52.993 53.050 0.080 0.000 0.909 92 N CB 0.388 38.916 38.487 0.068 0.000 1.066 92 N HN 0.162 8.599 8.380 0.094 0.000 0.474 93 I N 6.401 127.007 120.570 0.061 0.000 2.617 93 I HA -0.235 3.965 4.170 0.050 0.000 0.256 93 I C 0.974 177.114 176.117 0.039 0.000 1.167 93 I CA 2.011 63.341 61.300 0.049 0.000 1.469 93 I CB 0.480 38.508 38.000 0.046 0.000 1.098 93 I HN -0.098 8.151 8.210 0.065 0.000 0.436 94 E N 0.440 120.663 120.200 0.038 0.000 2.051 94 E HA -0.239 4.127 4.350 0.027 0.000 0.192 94 E C -0.323 176.295 176.600 0.029 0.000 0.991 94 E CA 2.686 59.104 56.400 0.031 0.000 0.799 94 E CB 0.651 30.369 29.700 0.030 0.000 0.748 94 E HN -0.646 7.995 8.360 0.043 -0.255 0.449 95 S N -4.990 110.730 115.700 0.033 0.000 3.673 95 S HA -0.032 4.457 4.470 0.031 0.000 0.107 95 S C -1.247 173.374 174.600 0.034 0.000 0.858 95 S CA 0.725 58.943 58.200 0.031 0.000 0.821 95 S CB -1.096 62.119 63.200 0.025 0.000 1.261 95 S HN -0.496 7.837 8.310 0.038 0.000 0.685 96 G N 0.001 108.826 108.800 0.042 0.000 4.000 96 G HA2 0.187 4.171 3.960 0.040 0.000 0.260 96 G HA3 0.187 4.177 3.960 0.050 0.000 0.260 96 G C -0.417 174.516 174.900 0.055 0.000 1.047 96 G CA -0.081 45.047 45.100 0.047 0.000 0.860 96 G HN -0.416 7.901 8.290 0.046 0.000 0.464 97 E N -1.636 118.597 120.200 0.054 0.000 4.479 97 E HA -0.432 3.952 4.350 0.056 0.000 0.204 97 E C -1.353 175.292 176.600 0.075 0.000 1.503 97 E CA 1.019 57.455 56.400 0.059 0.000 2.489 97 E CB 0.376 30.108 29.700 0.053 0.000 2.112 97 E HN -0.476 7.913 8.360 0.049 0.000 0.447 98 V N -0.632 119.329 119.914 0.078 0.000 2.485 98 V HA -0.304 3.998 4.120 0.104 -0.120 0.287 98 V C -0.446 175.712 176.094 0.108 0.000 1.022 98 V CA 1.907 64.265 62.300 0.096 0.000 1.067 98 V CB -1.019 30.859 31.823 0.091 0.000 0.967 98 V HN 0.400 8.632 8.190 0.070 0.000 0.479 99 L N 5.893 127.193 121.223 0.129 0.000 2.730 99 L HA 0.385 4.802 4.340 0.130 0.000 0.236 99 L C -1.088 175.901 176.870 0.199 0.000 1.061 99 L CA 0.227 55.154 54.840 0.144 0.000 0.898 99 L CB 3.496 45.630 42.059 0.125 0.000 1.270 99 L HN 0.432 8.744 8.230 0.136 0.000 0.500 100 E N -0.790 119.535 120.200 0.208 0.000 2.275 100 E HA 0.407 5.033 4.350 0.268 -0.116 0.270 100 E C -2.684 174.046 176.600 0.217 0.000 0.882 100 E CA -0.801 55.748 56.400 0.249 0.000 0.758 100 E CB 3.883 33.763 29.700 0.301 0.000 1.195 100 E HN 0.038 8.511 8.360 0.188 0.000 0.419 101 R N 6.629 127.233 120.500 0.173 0.000 2.468 101 R HA 0.780 5.452 4.340 0.175 -0.227 0.302 101 R C -1.990 174.389 176.300 0.131 0.000 1.041 101 R CA -1.328 54.860 56.100 0.146 0.000 0.899 101 R CB 2.830 33.185 30.300 0.092 0.000 1.167 101 R HN 1.034 9.275 8.270 0.134 0.109 0.483 102 W N 7.387 128.739 121.300 0.087 0.000 2.332 102 W HA 0.090 4.804 4.660 0.089 0.000 0.306 102 W C -1.547 175.082 176.519 0.184 0.000 1.149 102 W CA 0.272 57.695 57.345 0.129 0.000 1.271 102 W CB 1.666 31.224 29.460 0.163 0.000 1.243 102 W HN 0.569 8.991 8.180 0.404 0.000 0.459 103 Q N 4.462 124.385 119.800 0.205 0.000 2.325 103 Q HA 0.667 5.212 4.340 0.133 -0.126 0.270 103 Q C -1.646 174.493 176.000 0.232 0.000 1.020 103 Q CA -1.476 54.416 55.803 0.148 0.000 0.785 103 Q CB 2.602 31.341 28.738 0.003 0.000 1.259 103 Q HN 0.235 8.457 8.270 -0.080 0.000 0.452 104 F N -1.054 119.002 119.950 0.177 0.000 2.551 104 F HA 0.463 5.125 4.527 0.109 -0.069 0.316 104 F C -2.301 173.560 175.800 0.101 0.000 1.089 104 F CA -2.868 55.236 58.000 0.172 0.000 0.915 104 F CB 2.784 41.970 39.000 0.311 0.000 1.186 104 F HN 0.914 8.878 8.300 -0.398 0.097 0.456 105 D N 1.138 121.621 120.400 0.138 0.000 2.177 105 D HA 0.251 4.826 4.640 -0.107 0.000 0.247 105 D C -1.075 175.285 176.300 0.101 0.000 1.063 105 D CA -0.150 53.854 54.000 0.007 0.000 0.867 105 D CB 3.169 43.942 40.800 -0.045 0.000 1.168 105 D HN 0.043 8.404 8.370 0.202 0.131 0.445 106 I N 1.926 122.527 120.570 0.051 0.000 2.466 106 I HA 0.398 4.722 4.170 0.129 -0.076 0.289 106 I C -1.976 174.153 176.117 0.020 0.000 1.026 106 I CA -2.495 58.863 61.300 0.097 0.000 1.078 106 I CB 1.572 39.670 38.000 0.164 0.000 1.249 106 I HN 0.778 8.854 8.210 -0.020 0.121 0.429 107 E N 4.801 125.009 120.200 0.013 0.000 2.191 107 E HA 0.551 5.009 4.350 -0.064 -0.146 0.263 107 E C -1.141 175.453 176.600 -0.009 0.000 0.881 107 E CA -1.675 54.701 56.400 -0.039 0.000 0.757 107 E CB 3.632 33.279 29.700 -0.088 0.000 1.147 107 E HN 0.324 8.711 8.360 0.045 0.000 0.414 108 C N 7.991 127.219 119.300 -0.120 0.000 2.298 108 C HA 0.046 4.478 4.460 -0.047 0.000 0.323 108 C C -1.166 173.706 174.990 -0.197 0.000 1.284 108 C CA -0.563 58.326 59.018 -0.216 0.000 1.577 108 C CB 0.723 28.007 27.740 -0.760 0.000 2.249 108 C HN 0.188 8.321 8.230 -0.162 0.000 0.497 109 D N 8.425 128.768 120.400 -0.095 0.000 7.547 109 D HA -0.323 4.359 4.640 -0.033 -0.062 0.255 109 D C -1.690 174.573 176.300 -0.061 0.000 2.090 109 D CA 1.877 55.834 54.000 -0.072 0.000 1.914 109 D CB 0.129 40.863 40.800 -0.110 0.000 0.809 109 D HN 0.101 8.453 8.370 -0.030 0.000 0.513 110 K N 4.898 125.277 120.400 -0.034 0.000 2.762 110 K HA 0.252 4.539 4.320 -0.057 0.000 0.180 110 K C -1.037 175.543 176.600 -0.034 0.000 1.067 110 K CA -1.284 54.976 56.287 -0.045 0.000 0.973 110 K CB 0.102 32.568 32.500 -0.056 0.000 1.290 110 K HN 0.075 8.317 8.250 -0.013 0.000 0.604 111 T N 0.648 115.181 114.554 -0.034 0.000 1.726 111 T HA -0.358 3.976 4.350 -0.026 0.000 0.622 111 T C -1.600 173.090 174.700 -0.016 0.000 0.932 111 T CA 1.095 63.180 62.100 -0.026 0.000 3.307 111 T CB -0.654 68.198 68.868 -0.026 0.000 1.917 111 T HN -0.064 8.152 8.240 -0.041 0.000 0.408 112 A N 4.200 127.012 122.820 -0.014 0.000 3.241 112 A HA 0.162 4.480 4.320 -0.004 0.000 0.198 112 A C -0.604 176.977 177.584 -0.006 0.000 1.003 112 A CA 0.088 52.122 52.037 -0.006 0.000 1.134 112 A CB 0.790 19.790 19.000 0.000 0.000 1.289 112 A HN 0.391 8.530 8.150 -0.017 0.000 0.623 113 K N -0.473 119.922 120.400 -0.008 0.000 2.281 113 K HA -0.250 4.066 4.320 -0.007 0.000 0.203 113 K C -0.108 176.490 176.600 -0.003 0.000 1.046 113 K CA 1.856 58.139 56.287 -0.006 0.000 0.938 113 K CB -0.258 32.237 32.500 -0.008 0.000 0.737 113 K HN 0.067 8.311 8.250 -0.010 0.000 0.458 114 D N -0.702 119.697 120.400 -0.001 0.000 2.108 114 D HA -0.221 4.419 4.640 0.000 0.000 0.190 114 D C -0.044 176.258 176.300 0.003 0.000 0.995 114 D CA 2.102 56.102 54.000 0.001 0.000 0.834 114 D CB 0.008 40.809 40.800 0.002 0.000 0.967 114 D HN -0.230 8.099 8.370 -0.002 0.040 0.446 115 D N -5.535 114.868 120.400 0.004 0.000 2.837 115 D HA -0.314 4.331 4.640 0.008 0.000 0.230 115 D C -1.303 175.001 176.300 0.007 0.000 1.152 115 D CA 0.682 54.686 54.000 0.006 0.000 0.736 115 D CB -0.691 40.112 40.800 0.005 0.000 1.084 115 D HN 0.271 8.644 8.370 0.004 0.000 0.429 116 S N -3.916 111.788 115.700 0.007 0.000 2.588 116 S HA 0.072 4.545 4.470 0.006 0.000 0.245 116 S C -1.045 173.560 174.600 0.008 0.000 1.021 116 S CA -0.053 58.151 58.200 0.007 0.000 1.006 116 S CB 0.576 63.779 63.200 0.005 0.000 0.830 116 S HN -0.247 8.042 8.310 0.007 0.025 0.468 117 A N 1.549 124.375 122.820 0.011 0.000 2.319 117 A HA 0.365 4.692 4.320 0.012 0.000 0.310 117 A C -2.845 174.747 177.584 0.014 0.000 1.152 117 A CA -2.027 50.018 52.037 0.013 0.000 0.783 117 A CB 0.547 19.557 19.000 0.016 0.000 1.184 117 A HN -0.677 7.402 8.150 0.011 0.078 0.474 118 P HA -0.076 4.351 4.420 0.011 0.000 0.260 118 P C -0.858 176.451 177.300 0.016 0.000 1.207 118 P CA 0.156 63.263 63.100 0.013 0.000 0.780 118 P CB -0.064 31.643 31.700 0.011 0.000 0.789 119 R N 2.103 122.612 120.500 0.016 0.000 1.558 119 R HA -0.307 4.043 4.340 0.016 0.000 0.397 119 R C -0.985 175.331 176.300 0.027 0.000 1.289 119 R CA 0.622 56.733 56.100 0.019 0.000 1.129 119 R CB -0.017 30.294 30.300 0.018 0.000 3.317 119 R HN 0.204 8.482 8.270 0.013 0.000 0.487 120 E N 4.883 125.100 120.200 0.027 0.000 2.546 120 E HA 0.133 4.512 4.350 0.048 0.000 0.227 120 E C -1.734 174.895 176.600 0.049 0.000 1.009 120 E CA -0.477 55.947 56.400 0.040 0.000 0.813 120 E CB 0.239 29.959 29.700 0.034 0.000 1.269 120 E HN 0.240 8.612 8.360 0.020 0.000 0.432 121 K N 1.488 121.931 120.400 0.072 0.000 2.571 121 K HA 0.104 4.499 4.320 0.126 0.000 0.252 121 K C -1.743 174.952 176.600 0.158 0.000 0.956 121 K CA -0.372 55.975 56.287 0.100 0.000 0.822 121 K CB 2.306 34.825 32.500 0.031 0.000 1.286 121 K HN -0.198 8.094 8.250 0.070 0.000 0.439 122 S N 5.196 121.066 115.700 0.283 0.000 2.411 122 S HA 0.081 4.642 4.470 0.152 0.000 0.294 122 S C -0.278 174.430 174.600 0.180 0.000 1.115 122 S CA 0.178 58.512 58.200 0.224 0.000 1.071 122 S CB 0.446 63.809 63.200 0.270 0.000 0.967 122 S HN 0.401 8.991 8.310 0.467 0.000 0.488 123 Q N 6.351 126.218 119.800 0.111 0.000 2.226 123 Q HA -0.199 4.218 4.340 0.129 0.000 0.199 123 Q C 1.496 177.530 176.000 0.057 0.000 0.945 123 Q CA 2.905 58.763 55.803 0.090 0.000 0.861 123 Q CB 0.395 29.167 28.738 0.057 0.000 0.953 123 Q HN 0.548 8.874 8.270 0.094 0.000 0.490 124 K N 1.150 121.575 120.400 0.042 0.000 1.991 124 K HA -0.385 3.946 4.320 0.019 0.000 0.212 124 K C 1.935 178.535 176.600 -0.000 0.000 1.049 124 K CA 4.119 60.420 56.287 0.023 0.000 0.932 124 K CB -0.531 31.985 32.500 0.027 0.000 0.717 124 K HN 0.304 8.584 8.250 0.050 0.000 0.441 125 A N -0.931 121.889 122.820 -0.001 0.000 2.024 125 A HA -0.168 4.143 4.320 -0.016 0.000 0.220 125 A C 2.185 179.617 177.584 -0.253 0.000 1.164 125 A CA 2.729 54.737 52.037 -0.048 0.000 0.643 125 A CB -1.048 17.994 19.000 0.070 0.000 0.806 125 A HN 0.257 8.428 8.150 0.035 0.000 0.451 126 I N -0.520 119.915 120.570 -0.225 0.000 2.233 126 I HA -0.446 3.357 4.170 -0.613 0.000 0.243 126 I C 1.530 177.648 176.117 0.001 0.000 1.093 126 I CA 3.066 64.245 61.300 -0.202 0.000 1.380 126 I CB -0.735 37.319 38.000 0.089 0.000 1.067 126 I HN -0.101 7.903 8.210 -0.086 0.153 0.413 127 Q N 1.350 121.168 119.800 0.029 0.000 2.112 127 Q HA -0.394 3.974 4.340 0.046 0.000 0.206 127 Q C 2.096 178.069 176.000 -0.044 0.000 0.987 127 Q CA 3.281 59.093 55.803 0.015 0.000 0.858 127 Q CB -0.755 27.994 28.738 0.018 0.000 0.905 127 Q HN 0.622 8.711 8.270 0.028 0.197 0.420 128 D N -0.974 119.399 120.400 -0.045 0.000 2.097 128 D HA -0.313 4.307 4.640 -0.034 0.000 0.195 128 D C 2.250 178.527 176.300 -0.038 0.000 0.989 128 D CA 3.256 57.232 54.000 -0.039 0.000 0.827 128 D CB -0.128 40.658 40.800 -0.024 0.000 0.966 128 D HN -0.464 7.872 8.370 -0.046 0.007 0.456 129 E N -0.035 120.136 120.200 -0.049 0.000 2.017 129 E HA -0.258 4.118 4.350 0.043 0.000 0.193 129 E C 2.485 179.125 176.600 0.067 0.000 0.997 129 E CA 2.621 59.039 56.400 0.030 0.000 0.804 129 E CB -0.128 29.553 29.700 -0.032 0.000 0.757 129 E HN -0.762 7.529 8.360 -0.115 0.000 0.448 130 I N 0.172 120.752 120.570 0.018 0.000 2.335 130 I HA -0.462 3.348 4.170 -0.599 0.000 0.251 130 I C 0.991 176.882 176.117 -0.378 0.000 1.129 130 I CA 3.279 64.258 61.300 -0.535 0.000 1.402 130 I CB 0.021 37.203 38.000 -1.363 0.000 1.069 130 I HN 0.371 8.648 8.210 0.112 0.000 0.424 131 R N -0.452 119.923 120.500 -0.208 0.000 2.073 131 R HA -0.449 3.782 4.340 -0.182 0.000 0.234 131 R C 2.108 178.347 176.300 -0.101 0.000 1.134 131 R CA 4.139 60.151 56.100 -0.147 0.000 0.952 131 R CB -0.381 29.868 30.300 -0.086 0.000 0.850 131 R HN 0.275 8.235 8.270 -0.152 0.219 0.433 132 S N -1.525 114.141 115.700 -0.056 0.000 2.436 132 S HA -0.144 4.315 4.470 -0.018 0.000 0.228 132 S C 2.226 176.836 174.600 0.016 0.000 1.014 132 S CA 3.075 61.267 58.200 -0.013 0.000 0.950 132 S CB -0.176 63.030 63.200 0.011 0.000 0.784 132 S HN -0.410 7.785 8.310 -0.049 0.086 0.504 133 V N 2.579 122.493 119.914 0.000 0.000 2.307 133 V HA -0.387 3.854 4.120 0.201 0.000 0.245 133 V C 1.263 177.334 176.094 -0.038 0.000 1.045 133 V CA 3.910 66.242 62.300 0.054 0.000 1.024 133 V CB -0.298 31.540 31.823 0.026 0.000 0.651 133 V HN 0.394 8.337 8.190 -0.041 0.222 0.449 134 I N -2.271 118.198 120.570 -0.169 0.000 2.315 134 I HA -0.379 3.660 4.170 -0.218 0.000 0.248 134 I C 2.307 178.363 176.117 -0.101 0.000 1.117 134 I CA 3.083 64.273 61.300 -0.183 0.000 1.404 134 I CB -1.492 36.372 38.000 -0.227 0.000 1.071 134 I HN 0.127 8.201 8.210 -0.227 0.000 0.419 135 R N -0.859 119.602 120.500 -0.065 0.000 2.062 135 R HA -0.175 4.138 4.340 -0.045 0.000 0.229 135 R C 2.430 178.743 176.300 0.022 0.000 1.128 135 R CA 2.421 58.503 56.100 -0.030 0.000 0.960 135 R CB -0.673 29.608 30.300 -0.031 0.000 0.855 135 R HN -0.423 7.788 8.270 -0.080 0.011 0.432 136 Q N 0.024 119.865 119.800 0.069 0.000 2.135 136 Q HA -0.297 4.079 4.340 0.061 0.000 0.204 136 Q C 2.394 178.540 176.000 0.243 0.000 0.981 136 Q CA 3.220 59.098 55.803 0.125 0.000 0.856 136 Q CB -0.602 28.220 28.738 0.140 0.000 0.902 136 Q HN 0.531 8.695 8.270 0.056 0.140 0.425 137 I N 0.657 121.413 120.570 0.312 0.000 2.113 137 I HA -0.489 4.125 4.170 0.741 0.000 0.238 137 I C 2.086 178.284 176.117 0.135 0.000 1.070 137 I CA 3.793 65.282 61.300 0.316 0.000 1.332 137 I CB -0.317 37.591 38.000 -0.154 0.000 1.044 137 I HN -0.414 7.913 8.210 0.208 0.008 0.402 138 T N 1.158 115.718 114.554 0.009 0.000 2.788 138 T HA -0.364 3.942 4.350 -0.072 0.000 0.268 138 T C 1.781 176.494 174.700 0.023 0.000 1.044 138 T CA 3.559 65.635 62.100 -0.040 0.000 1.139 138 T CB -0.768 68.038 68.868 -0.105 0.000 0.867 138 T HN -0.638 7.588 8.240 -0.024 0.000 0.454 139 A N 2.864 125.713 122.820 0.049 0.000 1.858 139 A HA -0.166 4.185 4.320 0.051 0.000 0.216 139 A C 2.559 180.221 177.584 0.129 0.000 1.190 139 A CA 3.130 55.206 52.037 0.065 0.000 0.617 139 A CB -0.710 18.313 19.000 0.038 0.000 0.827 139 A HN 0.800 8.837 8.150 0.046 0.141 0.443 140 T N 1.479 116.121 114.554 0.146 0.000 2.720 140 T HA -0.456 4.002 4.350 0.179 0.000 0.268 140 T C 1.891 176.833 174.700 0.403 0.000 1.037 140 T CA 4.997 67.243 62.100 0.242 0.000 1.144 140 T CB -0.049 68.927 68.868 0.180 0.000 0.864 140 T HN -0.272 8.045 8.240 0.129 0.000 0.444 141 V N 1.073 121.145 119.914 0.264 0.000 2.252 141 V HA -0.535 3.731 4.120 0.243 0.000 0.249 141 V C 2.540 178.727 176.094 0.156 0.000 1.056 141 V CA 4.270 66.690 62.300 0.200 0.000 1.022 141 V CB -0.321 31.560 31.823 0.097 0.000 0.641 141 V HN -0.514 7.804 8.190 0.214 0.000 0.445 142 T N 0.921 115.552 114.554 0.128 0.000 2.833 142 T HA -0.324 4.056 4.350 0.051 0.000 0.269 142 T C 0.887 175.663 174.700 0.127 0.000 1.054 142 T CA 2.841 64.997 62.100 0.092 0.000 1.135 142 T CB -0.393 68.517 68.868 0.070 0.000 0.869 142 T HN -0.375 7.935 8.240 0.117 0.000 0.466 143 F N 0.959 120.938 119.950 0.047 0.000 2.502 143 F HA -0.067 4.480 4.527 0.033 0.000 0.298 143 F C -1.046 174.776 175.800 0.037 0.000 1.111 143 F CA 0.650 58.680 58.000 0.050 0.000 1.445 143 F CB 0.955 40.004 39.000 0.081 0.000 1.081 143 F HN -0.646 7.722 8.300 0.365 0.151 0.558 144 L N 0.829 122.007 121.223 -0.075 0.000 2.375 144 L HA 0.335 4.368 4.340 -0.513 0.000 0.271 144 L C -1.305 175.466 176.870 -0.165 0.000 1.107 144 L CA -2.880 51.835 54.840 -0.208 0.000 0.806 144 L CB -0.001 42.075 42.059 0.029 0.000 1.146 144 L HN -0.359 7.762 8.230 0.156 0.203 0.447 145 P HA 0.019 4.371 4.420 -0.114 0.000 0.237 145 P C -0.893 176.368 177.300 -0.065 0.000 1.788 145 P CA -0.459 62.567 63.100 -0.125 0.000 1.061 145 P CB -2.030 29.587 31.700 -0.139 0.000 1.967 146 L N 1.630 122.831 121.223 -0.036 0.000 0.596 146 L HA -0.343 4.001 4.340 0.005 0.000 0.356 146 L C -1.946 174.928 176.870 0.007 0.000 1.005 146 L CA 1.041 55.877 54.840 -0.006 0.000 1.223 146 L CB 0.160 42.215 42.059 -0.008 0.000 0.021 146 L HN -0.029 8.134 8.230 -0.038 0.044 0.096 147 L N 2.944 124.184 121.223 0.029 0.000 2.983 147 L HA 0.058 4.420 4.340 0.037 0.000 0.249 147 L C -1.547 175.358 176.870 0.059 0.000 0.963 147 L CA 0.218 55.086 54.840 0.046 0.000 1.011 147 L CB 1.811 43.908 42.059 0.063 0.000 1.607 147 L HN -0.065 8.184 8.230 0.033 0.000 0.447 148 E N 1.890 122.126 120.200 0.059 0.000 2.428 148 E HA 0.192 4.586 4.350 0.074 0.000 0.311 148 E C -1.495 175.138 176.600 0.055 0.000 1.077 148 E CA 0.061 56.499 56.400 0.063 0.000 0.657 148 E CB 0.315 30.051 29.700 0.060 0.000 1.268 148 E HN 0.084 8.477 8.360 0.055 0.000 0.407 149 V N -2.794 117.157 119.914 0.063 0.000 2.630 149 V HA 0.461 4.610 4.120 0.047 0.000 0.305 149 V C -0.222 175.909 176.094 0.062 0.000 1.046 149 V CA -1.559 60.775 62.300 0.058 0.000 0.934 149 V CB 2.298 34.158 31.823 0.061 0.000 1.003 149 V HN -0.334 7.901 8.190 0.074 0.000 0.451 150 S N 5.186 120.917 115.700 0.052 0.000 4.051 150 S HA 0.079 4.583 4.470 0.056 0.000 0.215 150 S C 0.290 174.926 174.600 0.061 0.000 1.289 150 S CA 0.136 58.367 58.200 0.053 0.000 0.907 150 S CB -1.620 61.604 63.200 0.040 0.000 1.603 150 S HN 0.401 8.738 8.310 0.045 0.000 0.453 151 C N 2.517 121.865 119.300 0.080 0.000 2.563 151 C HA 0.304 4.994 4.460 0.090 -0.177 0.358 151 C C -0.571 174.485 174.990 0.110 0.000 1.336 151 C CA -2.302 56.777 59.018 0.102 0.000 2.454 151 C CB 1.798 29.620 27.740 0.136 0.000 2.448 151 C HN 0.440 8.661 8.230 0.082 0.058 0.670 152 S N -1.485 114.293 115.700 0.131 0.000 2.690 152 S HA 0.186 4.723 4.470 0.111 0.000 0.291 152 S C -0.952 173.811 174.600 0.271 0.000 1.138 152 S CA -1.012 57.274 58.200 0.144 0.000 1.013 152 S CB 1.422 64.681 63.200 0.099 0.000 1.053 152 S HN 0.818 9.088 8.310 0.127 0.116 0.539 153 F N -0.106 119.844 119.950 0.001 0.000 2.458 153 F HA 0.414 5.050 4.527 0.048 -0.081 0.330 153 F C -0.094 175.705 175.800 -0.001 0.000 1.082 153 F CA -0.576 57.423 58.000 -0.001 0.000 0.995 153 F CB 3.134 42.081 39.000 -0.087 0.000 1.170 153 F HN 0.043 8.489 8.300 0.243 0.000 0.478 154 D N 5.311 125.644 120.400 -0.112 0.000 2.479 154 D HA 0.249 4.875 4.640 -0.023 0.000 0.246 154 D C -1.946 174.279 176.300 -0.124 0.000 1.336 154 D CA -0.219 53.738 54.000 -0.071 0.000 0.967 154 D CB 2.712 43.508 40.800 -0.006 0.000 1.275 154 D HN -0.003 8.152 8.370 -0.358 0.000 0.577 155 L N 3.450 124.669 121.223 -0.007 0.000 2.276 155 L HA 0.255 4.637 4.340 0.070 0.000 0.286 155 L C -0.634 176.416 176.870 0.300 0.000 1.061 155 L CA -0.166 54.774 54.840 0.168 0.000 0.807 155 L CB 1.118 43.400 42.059 0.371 0.000 1.177 155 L HN 0.337 8.577 8.230 0.017 0.000 0.429 156 L N 4.517 125.862 121.223 0.203 0.000 2.346 156 L HA 0.362 4.798 4.340 0.161 0.000 0.274 156 L C -1.122 175.807 176.870 0.097 0.000 1.007 156 L CA -1.070 53.845 54.840 0.125 0.000 0.818 156 L CB 3.817 45.884 42.059 0.013 0.000 1.284 156 L HN 1.090 9.325 8.230 0.158 0.089 0.424 157 I N 1.379 121.960 120.570 0.019 0.000 2.498 157 I HA 0.227 4.532 4.170 0.043 -0.109 0.290 157 I C -1.278 174.850 176.117 0.017 0.000 1.032 157 I CA -0.884 60.428 61.300 0.020 0.000 1.073 157 I CB 3.369 41.365 38.000 -0.006 0.000 1.251 157 I HN 0.171 8.364 8.210 -0.027 0.000 0.426 158 Y N 7.014 127.279 120.300 -0.059 0.000 2.353 158 Y HA 0.262 4.795 4.550 -0.027 0.000 0.340 158 Y C -0.599 175.289 175.900 -0.019 0.000 0.972 158 Y CA -0.422 57.654 58.100 -0.040 0.000 1.157 158 Y CB 1.637 40.060 38.460 -0.061 0.000 1.157 158 Y HN 1.176 9.492 8.280 0.220 0.096 0.495 159 T N 1.024 115.657 114.554 0.132 0.000 2.797 159 T HA 0.740 5.284 4.350 0.072 -0.151 0.267 159 T C -0.696 174.049 174.700 0.075 0.000 0.986 159 T CA -2.977 59.186 62.100 0.104 0.000 0.999 159 T CB 2.476 71.442 68.868 0.164 0.000 1.508 159 T HN 0.176 8.458 8.240 0.069 0.000 0.595 160 D N -0.835 119.596 120.400 0.050 0.000 3.163 160 D HA 0.257 4.921 4.640 0.040 0.000 0.228 160 D C 0.358 176.672 176.300 0.023 0.000 1.521 160 D CA 1.239 55.259 54.000 0.032 0.000 1.334 160 D CB 1.315 42.123 40.800 0.014 0.000 1.126 160 D HN 0.262 8.665 8.370 0.055 0.000 0.304 161 K N 1.097 121.509 120.400 0.020 0.000 2.159 161 K HA -0.066 4.259 4.320 0.008 0.000 0.242 161 K C -0.472 176.133 176.600 0.009 0.000 1.043 161 K CA 0.086 56.381 56.287 0.013 0.000 0.856 161 K CB 0.651 33.159 32.500 0.014 0.000 1.072 161 K HN 0.043 8.305 8.250 0.021 0.000 0.514 162 D N -1.311 119.089 120.400 0.001 0.000 2.451 162 D HA -0.190 4.439 4.640 -0.018 0.000 0.254 162 D C -0.613 175.675 176.300 -0.021 0.000 1.204 162 D CA 1.366 55.358 54.000 -0.013 0.000 0.896 162 D CB 0.391 41.183 40.800 -0.013 0.000 1.136 162 D HN 0.026 8.397 8.370 0.002 0.000 0.499 163 L N 6.631 127.825 121.223 -0.049 0.000 2.255 163 L HA 0.234 4.532 4.340 -0.070 0.000 0.289 163 L C -1.032 175.754 176.870 -0.141 0.000 1.046 163 L CA -0.285 54.495 54.840 -0.101 0.000 0.816 163 L CB 0.912 42.885 42.059 -0.143 0.000 1.197 163 L HN 0.212 8.411 8.230 -0.050 0.000 0.427 164 V N 7.807 127.640 119.914 -0.136 0.000 2.348 164 V HA 0.056 4.233 4.120 -0.099 -0.116 0.270 164 V C -0.591 175.401 176.094 -0.169 0.000 1.037 164 V CA 0.331 62.561 62.300 -0.118 0.000 0.872 164 V CB 0.423 32.207 31.823 -0.065 0.000 1.002 164 V HN 0.221 8.343 8.190 -0.112 0.000 0.464 165 V N 9.446 129.270 119.914 -0.150 0.000 2.735 165 V HA 0.419 4.459 4.120 -0.133 0.000 0.310 165 V C -1.965 174.101 176.094 -0.045 0.000 1.061 165 V CA -3.310 58.917 62.300 -0.122 0.000 0.913 165 V CB 3.272 35.011 31.823 -0.140 0.000 1.005 165 V HN 0.671 9.183 8.190 -0.121 -0.394 0.428 166 P HA 0.366 4.777 4.420 -0.014 0.000 0.318 166 P C -0.817 176.482 177.300 -0.002 0.000 1.387 166 P CA -0.299 62.796 63.100 -0.008 0.000 0.865 166 P CB 0.745 32.443 31.700 -0.004 0.000 2.164 167 E N -2.954 117.240 120.200 -0.010 0.000 2.481 167 E HA -0.234 4.106 4.350 -0.017 0.000 0.195 167 E C 1.209 177.778 176.600 -0.051 0.000 1.047 167 E CA 1.485 57.872 56.400 -0.023 0.000 0.867 167 E CB -0.295 29.389 29.700 -0.026 0.000 0.858 167 E HN 0.131 8.485 8.360 -0.010 0.000 0.513 168 K N -0.298 120.069 120.400 -0.054 0.000 2.025 168 K HA -0.129 4.056 4.320 -0.225 0.000 0.207 168 K C -0.607 175.787 176.600 -0.343 0.000 1.049 168 K CA 1.713 57.879 56.287 -0.201 0.000 0.933 168 K CB 0.281 32.689 32.500 -0.154 0.000 0.714 168 K HN -0.125 8.064 8.250 -0.011 0.054 0.438 169 W N -4.421 116.823 121.300 -0.093 0.000 2.967 169 W HA 0.125 4.758 4.660 -0.045 0.000 0.342 169 W C -1.636 174.824 176.519 -0.097 0.000 1.162 169 W CA -1.722 55.568 57.345 -0.091 0.000 1.085 169 W CB 2.199 31.572 29.460 -0.145 0.000 1.460 169 W HN -0.944 7.345 8.180 0.183 0.000 0.584 170 E N 0.747 121.057 120.200 0.183 0.000 2.155 170 E HA 0.275 4.648 4.350 0.038 0.000 0.264 170 E C -0.606 176.003 176.600 0.015 0.000 0.886 170 E CA -0.850 55.588 56.400 0.063 0.000 0.752 170 E CB 1.502 31.225 29.700 0.039 0.000 1.133 170 E HN 0.276 8.795 8.360 0.265 0.000 0.414 171 E N 5.754 125.937 120.200 -0.028 0.000 2.159 171 E HA -0.130 4.157 4.350 -0.105 0.000 0.272 171 E C -0.548 176.011 176.600 -0.068 0.000 1.138 171 E CA 1.024 57.381 56.400 -0.073 0.000 0.915 171 E CB -0.117 29.535 29.700 -0.080 0.000 1.028 171 E HN 0.338 8.686 8.360 -0.021 0.000 0.423 172 S N 4.747 120.389 115.700 -0.097 0.000 4.881 172 S HA 0.140 4.559 4.470 -0.085 0.000 0.231 172 S C -1.131 173.366 174.600 -0.173 0.000 1.118 172 S CA -0.517 57.624 58.200 -0.099 0.000 1.219 172 S CB 0.577 63.741 63.200 -0.060 0.000 1.825 172 S HN -0.015 8.221 8.310 -0.124 0.000 0.410 173 G N -0.446 108.251 108.800 -0.172 0.000 2.612 173 G HA2 -0.116 3.681 3.960 -0.272 0.000 0.200 173 G HA3 -0.116 3.589 3.960 -0.425 0.000 0.200 173 G C -1.434 173.291 174.900 -0.291 0.000 1.053 173 G CA 0.080 45.005 45.100 -0.292 0.000 0.707 173 G HN 0.432 8.653 8.290 -0.115 0.000 0.497 174 P HA -0.196 4.412 4.420 0.314 0.000 0.223 174 P C 0.341 177.744 177.300 0.172 0.000 1.140 174 P CA 1.051 64.224 63.100 0.121 0.000 0.783 174 P CB -0.379 31.405 31.700 0.140 0.000 0.759 175 Q N -4.697 115.114 119.800 0.019 0.000 2.290 175 Q HA -0.328 4.060 4.340 0.080 0.000 0.211 175 Q C 0.290 176.374 176.000 0.140 0.000 0.991 175 Q CA 1.756 57.592 55.803 0.056 0.000 0.893 175 Q CB -0.518 28.221 28.738 0.002 0.000 0.913 175 Q HN -0.221 7.937 8.270 -0.050 0.081 0.428 176 F N -3.313 116.657 119.950 0.034 0.000 2.670 176 F HA -0.424 4.135 4.527 0.053 0.000 0.192 176 F C 0.064 175.889 175.800 0.042 0.000 1.068 176 F CA 1.030 59.056 58.000 0.043 0.000 0.802 176 F CB -2.127 36.897 39.000 0.041 0.000 0.630 176 F HN -0.817 7.312 8.300 -0.194 0.055 0.837 177 I N -6.797 113.859 120.570 0.143 0.000 7.249 177 I HA -0.492 3.731 4.170 0.088 0.000 0.127 177 I C -0.449 175.739 176.117 0.118 0.000 1.511 177 I CA 1.063 62.434 61.300 0.118 0.000 2.403 177 I CB -0.681 37.393 38.000 0.124 0.000 3.009 177 I HN -0.174 8.075 8.210 0.073 0.005 0.268 178 T N 0.221 114.833 114.554 0.097 0.000 3.071 178 T HA 0.006 4.404 4.350 0.080 0.000 0.239 178 T C -0.457 174.289 174.700 0.076 0.000 0.997 178 T CA 0.571 62.719 62.100 0.080 0.000 1.134 178 T CB 1.319 70.226 68.868 0.065 0.000 0.928 178 T HN 0.217 8.515 8.240 0.095 0.000 0.453 179 N N 1.512 120.261 118.700 0.081 0.000 2.793 179 N HA 0.214 4.997 4.740 0.071 0.000 0.251 179 N C -2.566 173.000 175.510 0.094 0.000 1.308 179 N CA 0.470 53.566 53.050 0.076 0.000 0.781 179 N CB 2.300 40.822 38.487 0.059 0.000 1.439 179 N HN -0.151 8.282 8.380 0.087 0.000 0.562 180 S N 1.423 117.188 115.700 0.108 0.000 2.564 180 S HA 0.283 5.005 4.470 0.155 -0.159 0.274 180 S C -2.034 172.644 174.600 0.131 0.000 1.124 180 S CA -0.706 57.579 58.200 0.141 0.000 0.869 180 S CB 3.618 66.911 63.200 0.155 0.000 1.105 180 S HN 0.123 8.494 8.310 0.102 0.000 0.472 181 E N 2.289 122.596 120.200 0.178 0.000 2.197 181 E HA 0.110 4.510 4.350 0.083 0.000 0.281 181 E C -1.738 174.883 176.600 0.035 0.000 0.995 181 E CA -1.445 55.032 56.400 0.129 0.000 0.808 181 E CB 2.420 32.233 29.700 0.189 0.000 1.093 181 E HN 0.192 8.715 8.360 0.273 0.000 0.394 182 E N 6.243 126.431 120.200 -0.020 0.000 2.156 182 E HA 0.103 4.460 4.350 -0.186 -0.118 0.279 182 E C -1.096 175.424 176.600 -0.134 0.000 0.965 182 E CA -1.089 55.248 56.400 -0.106 0.000 0.789 182 E CB 1.580 31.249 29.700 -0.052 0.000 1.098 182 E HN 0.303 8.665 8.360 0.004 0.000 0.397 183 V N 7.176 126.949 119.914 -0.234 0.000 2.487 183 V HA 0.192 4.228 4.120 -0.139 0.000 0.298 183 V C -1.744 174.215 176.094 -0.224 0.000 1.028 183 V CA -1.356 60.818 62.300 -0.209 0.000 0.860 183 V CB 2.243 33.919 31.823 -0.246 0.000 0.991 183 V HN 0.797 8.784 8.190 -0.338 0.000 0.427 184 R N 6.371 126.778 120.500 -0.155 0.000 2.594 184 R HA -0.176 4.074 4.340 -0.150 0.000 0.272 184 R C -0.695 175.523 176.300 -0.136 0.000 1.074 184 R CA 0.934 56.953 56.100 -0.135 0.000 1.105 184 R CB 0.368 30.616 30.300 -0.088 0.000 1.008 184 R HN 0.391 8.587 8.270 -0.124 0.000 0.472 185 L N 3.538 124.690 121.223 -0.119 0.000 2.641 185 L HA 0.330 4.611 4.340 -0.098 0.000 0.207 185 L C -0.313 176.536 176.870 -0.034 0.000 1.049 185 L CA 0.564 55.350 54.840 -0.089 0.000 0.866 185 L CB 1.756 43.756 42.059 -0.099 0.000 1.264 185 L HN 0.389 8.553 8.230 -0.110 0.000 0.483 186 R N -4.664 115.831 120.500 -0.008 0.000 2.765 186 R HA 0.182 4.530 4.340 0.012 0.000 0.277 186 R C -2.701 173.630 176.300 0.052 0.000 1.028 186 R CA -0.167 55.948 56.100 0.025 0.000 0.860 186 R CB 4.562 34.888 30.300 0.043 0.000 1.270 186 R HN -0.435 7.826 8.270 -0.015 0.000 0.484 187 S N -1.636 114.103 115.700 0.066 0.000 2.556 187 S HA 0.608 5.250 4.470 0.107 -0.107 0.271 187 S C -1.920 172.768 174.600 0.145 0.000 1.135 187 S CA -1.214 57.036 58.200 0.083 0.000 0.858 187 S CB 3.385 66.596 63.200 0.019 0.000 1.114 187 S HN 0.060 8.340 8.310 0.060 0.065 0.468 188 F N 0.548 120.462 119.950 -0.060 0.000 2.588 188 F HA 0.411 4.898 4.527 -0.067 0.000 0.314 188 F C -2.758 172.964 175.800 -0.129 0.000 1.134 188 F CA -0.034 57.913 58.000 -0.087 0.000 0.961 188 F CB 3.860 42.804 39.000 -0.094 0.000 1.239 188 F HN 0.656 9.036 8.300 0.132 0.000 0.448 189 T N 6.937 121.072 114.554 -0.697 0.000 2.890 189 T HA 0.257 4.000 4.350 -1.011 0.000 0.295 189 T C -1.409 172.915 174.700 -0.626 0.000 0.993 189 T CA -1.077 60.571 62.100 -0.753 0.000 0.979 189 T CB 1.976 70.634 68.868 -0.351 0.000 0.967 189 T HN 0.059 8.113 8.240 -0.311 0.000 0.441 190 T N 5.793 119.911 114.554 -0.727 0.000 2.932 190 T HA 0.450 4.699 4.350 -0.169 0.000 0.289 190 T C 0.642 175.255 174.700 -0.145 0.000 1.039 190 T CA -2.522 59.403 62.100 -0.292 0.000 1.024 190 T CB 2.588 71.385 68.868 -0.119 0.000 1.090 190 T HN 0.713 8.247 8.240 -0.979 0.119 0.496 191 T N 0.775 115.308 114.554 -0.036 0.000 2.977 191 T HA -0.291 4.035 4.350 -0.040 0.000 0.271 191 T C 0.834 175.552 174.700 0.030 0.000 1.105 191 T CA 2.510 64.603 62.100 -0.011 0.000 1.116 191 T CB 0.160 69.032 68.868 0.007 0.000 0.878 191 T HN 0.415 8.649 8.240 -0.010 0.000 0.509 192 I N -6.747 113.894 120.570 0.118 0.000 3.708 192 I HA 0.110 4.331 4.170 0.085 0.000 0.302 192 I C -1.938 174.344 176.117 0.274 0.000 1.255 192 I CA -0.233 61.176 61.300 0.183 0.000 1.362 192 I CB -0.539 37.588 38.000 0.211 0.000 1.100 192 I HN -0.376 7.858 8.210 0.144 0.062 0.434 193 H N -6.407 112.622 119.070 -0.068 0.000 2.951 193 H HA 0.299 4.852 4.556 -0.111 -0.063 0.292 193 H C -2.648 172.479 175.328 -0.335 0.000 1.412 193 H CA -1.400 54.585 56.048 -0.104 0.000 1.206 193 H CB 1.329 31.109 29.762 0.031 0.000 1.862 193 H HN -0.799 7.445 8.280 0.132 0.115 0.502 194 K N 1.688 121.876 120.400 -0.354 0.000 2.507 194 K HA 0.432 4.120 4.320 -1.257 -0.122 0.251 194 K C -2.596 173.847 176.600 -0.261 0.000 0.943 194 K CA -1.118 54.811 56.287 -0.596 0.000 0.794 194 K CB 3.224 35.489 32.500 -0.392 0.000 1.188 194 K HN -0.014 8.060 8.250 -0.111 0.109 0.428 195 V N 6.012 125.836 119.914 -0.149 0.000 2.444 195 V HA 0.560 4.960 4.120 0.071 -0.237 0.294 195 V C -1.330 174.847 176.094 0.138 0.000 1.022 195 V CA -2.307 60.057 62.300 0.106 0.000 0.850 195 V CB 1.910 33.789 31.823 0.094 0.000 0.992 195 V HN 0.578 8.529 8.190 -0.399 0.000 0.426 196 N N 6.440 125.205 118.700 0.109 0.000 2.459 196 N HA 0.257 5.053 4.740 0.093 0.000 0.288 196 N C -1.346 174.264 175.510 0.168 0.000 1.186 196 N CA -0.517 52.591 53.050 0.096 0.000 0.917 196 N CB 3.738 42.237 38.487 0.019 0.000 1.219 196 N HN 0.469 8.787 8.380 0.109 0.128 0.525 197 S N 1.169 116.939 115.700 0.117 0.000 2.677 197 S HA 0.418 5.026 4.470 0.231 0.000 0.283 197 S C -1.961 172.611 174.600 -0.047 0.000 1.159 197 S CA -0.095 58.180 58.200 0.125 0.000 1.001 197 S CB 1.823 65.132 63.200 0.181 0.000 1.032 197 S HN 0.667 9.017 8.310 0.067 0.000 0.487 198 M N 1.296 120.799 119.600 -0.161 0.000 2.294 198 M HA 0.588 4.976 4.480 -0.317 -0.099 0.280 198 M C -3.090 172.900 176.300 -0.517 0.000 1.085 198 M CA -0.182 54.942 55.300 -0.294 0.000 0.969 198 M CB 3.667 36.166 32.600 -0.170 0.000 1.770 198 M HN 0.545 8.779 8.290 -0.094 0.000 0.485 199 V N 3.091 122.569 119.914 -0.727 0.000 2.715 199 V HA 0.515 4.146 4.120 -0.815 0.000 0.310 199 V C -2.964 172.750 176.094 -0.633 0.000 1.054 199 V CA -2.702 59.047 62.300 -0.918 0.000 0.928 199 V CB 4.067 34.956 31.823 -1.557 0.000 1.007 199 V HN -0.019 7.797 8.190 -0.625 0.000 0.437 200 A N 6.083 128.622 122.820 -0.468 0.000 2.435 200 A HA 1.045 5.164 4.320 -0.559 -0.134 0.304 200 A C -2.086 175.384 177.584 -0.190 0.000 1.064 200 A CA -2.141 49.679 52.037 -0.362 0.000 0.727 200 A CB 3.756 22.685 19.000 -0.118 0.000 1.284 200 A HN 0.764 8.684 8.150 -0.383 0.000 0.415 201 Y N -2.281 118.049 120.300 0.050 0.000 2.581 201 Y HA 0.716 5.424 4.550 0.095 -0.101 0.345 201 Y C -1.429 174.519 175.900 0.081 0.000 1.036 201 Y CA -4.887 53.266 58.100 0.087 0.000 1.042 201 Y CB 2.644 41.175 38.460 0.118 0.000 1.289 201 Y HN 0.269 8.569 8.280 0.034 0.000 0.471 202 K N 2.632 123.199 120.400 0.279 0.000 2.511 202 K HA -0.242 4.320 4.320 0.155 -0.149 0.280 202 K C 0.318 176.987 176.600 0.115 0.000 1.008 202 K CA 0.971 57.354 56.287 0.161 0.000 1.050 202 K CB 0.291 32.856 32.500 0.108 0.000 0.889 202 K HN 0.629 8.909 8.250 0.267 0.130 0.484 203 I N 4.716 125.348 120.570 0.103 0.000 2.352 203 I HA 0.298 4.499 4.170 0.053 0.000 0.290 203 I C -1.628 174.505 176.117 0.027 0.000 1.036 203 I CA -2.923 58.417 61.300 0.067 0.000 1.336 203 I CB -0.682 37.367 38.000 0.081 0.000 1.407 203 I HN -0.194 8.081 8.210 0.108 0.000 0.497 204 P HA -0.083 4.332 4.420 -0.008 0.000 0.280 204 P C -1.070 176.230 177.300 0.001 0.000 1.278 204 P CA -0.118 62.975 63.100 -0.012 0.000 0.787 204 P CB 0.363 32.040 31.700 -0.039 0.000 1.163 205 V N -2.948 116.965 119.914 -0.002 0.000 6.177 205 V HA -0.368 3.752 4.120 0.000 0.000 0.277 205 V C -0.346 175.754 176.094 0.009 0.000 0.580 205 V CA 0.419 62.720 62.300 0.003 0.000 0.697 205 V CB -1.099 30.726 31.823 0.003 0.000 0.575 205 V HN 0.012 8.198 8.190 -0.007 0.000 0.569 206 N N -0.339 118.367 118.700 0.010 0.000 2.300 206 N HA -0.130 4.621 4.740 0.018 0.000 0.179 206 N C 0.023 175.541 175.510 0.012 0.000 1.016 206 N CA 1.152 54.210 53.050 0.014 0.000 0.876 206 N CB 0.462 38.959 38.487 0.016 0.000 0.979 206 N HN 0.016 8.400 8.380 0.007 0.000 0.432 207 D N 0.000 120.405 120.400 0.009 0.000 6.856 207 D HA 0.000 4.645 4.640 0.008 0.000 0.175 207 D CA 0.000 54.005 54.000 0.008 0.000 0.868 207 D CB 0.000 40.805 40.800 0.008 0.000 0.688 207 D HN 0.000 8.374 8.370 0.007 0.000 0.683