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 1c5y_1_B DATA FIRST_RESID 16 DATA SEQUENCE IIGGEFTTIE NQPWFAAIYR RSVTYVcGGS LMSPcWVISA THcFPKEDYI DATA SEQUENCE VYLGRSRLNS NTQGEMKFEV ENLILHKDYS ALAHHNDIAL LKIRRcAQPS DATA SEQUENCE RTIQTICLPS MYNDPQFGTS cEITGFGKEA STDYLYPEQL KMTVVKLISH DATA SEQUENCE REcQHYYGSE VTTKMLcAAQ WKTDScQGDS GGPLVcSLQG RMTLTGIVSW DATA SEQUENCE GRXGcALDKP GVYTRVSHFL PWIRSHTKEE 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 16 I HA 0.000 4.161 4.170 -0.015 0.000 0.288 16 I C 0.000 176.091 176.117 -0.043 0.000 1.063 16 I CA 0.000 61.274 61.300 -0.043 0.000 1.566 16 I CB 0.000 37.941 38.000 -0.099 0.000 1.214 17 I N 3.439 123.994 120.570 -0.026 0.000 2.359 17 I HA 0.421 4.719 4.170 -0.026 -0.143 0.294 17 I C 0.661 176.745 176.117 -0.054 0.000 0.987 17 I CA -2.628 58.658 61.300 -0.023 0.000 1.225 17 I CB -0.559 37.448 38.000 0.012 0.000 1.366 17 I HN 0.302 8.504 8.210 -0.013 0.000 0.466 18 G N 4.586 113.339 108.800 -0.078 0.000 2.562 18 G HA2 -0.386 3.515 3.960 -0.099 0.000 0.250 18 G HA3 -0.386 3.532 3.960 -0.071 0.000 0.250 18 G C -1.057 173.750 174.900 -0.155 0.000 1.269 18 G CA -0.097 44.944 45.100 -0.098 0.000 0.919 18 G HN 0.325 8.570 8.290 -0.074 0.000 0.574 19 G N 1.361 110.075 108.800 -0.144 0.000 2.698 19 G HA2 -0.412 3.472 3.960 -0.135 0.000 0.225 19 G HA3 -0.412 3.486 3.960 -0.194 -0.055 0.225 19 G C -1.461 173.299 174.900 -0.234 0.000 1.345 19 G CA -0.359 44.636 45.100 -0.175 0.000 0.871 19 G HN -0.117 8.106 8.290 -0.111 0.000 0.540 20 E N -2.200 117.855 120.200 -0.242 0.000 2.359 20 E HA 0.381 4.561 4.350 -0.285 0.000 0.266 20 E C -1.173 175.254 176.600 -0.288 0.000 0.920 20 E CA -2.309 53.948 56.400 -0.239 0.000 0.788 20 E CB 2.858 32.494 29.700 -0.106 0.000 1.279 20 E HN 0.086 8.321 8.360 -0.209 0.000 0.438 21 F N 0.323 120.237 119.950 -0.060 0.000 2.394 21 F HA 0.511 5.130 4.527 -0.092 -0.147 0.340 21 F C 0.798 176.549 175.800 -0.082 0.000 1.105 21 F CA 0.411 58.369 58.000 -0.071 0.000 1.124 21 F CB 1.691 40.665 39.000 -0.044 0.000 1.145 21 F HN 0.292 8.588 8.300 -0.007 0.000 0.505 22 T N -0.935 113.667 114.554 0.081 0.000 2.633 22 T HA 0.398 4.755 4.350 0.011 0.000 0.262 22 T C -1.900 172.789 174.700 -0.019 0.000 0.920 22 T CA -2.680 59.416 62.100 -0.008 0.000 1.062 22 T CB 2.596 71.412 68.868 -0.086 0.000 1.390 22 T HN 0.546 8.718 8.240 0.074 0.112 0.549 23 T N -4.252 110.271 114.554 -0.051 0.000 2.887 23 T HA 0.235 4.571 4.350 -0.023 0.000 0.292 23 T C 0.342 174.996 174.700 -0.078 0.000 1.087 23 T CA -1.866 60.210 62.100 -0.041 0.000 1.009 23 T CB 2.589 71.443 68.868 -0.024 0.000 1.203 23 T HN -0.618 7.582 8.240 -0.067 0.000 0.518 24 I N 1.921 122.463 120.570 -0.048 0.000 2.493 24 I HA -0.279 3.828 4.170 -0.105 0.000 0.254 24 I C 1.198 177.246 176.117 -0.116 0.000 1.160 24 I CA 0.908 62.169 61.300 -0.064 0.000 1.445 24 I CB 0.251 38.270 38.000 0.031 0.000 1.086 24 I HN 0.614 8.819 8.210 -0.008 0.000 0.433 25 E N -2.887 117.262 120.200 -0.085 0.000 2.219 25 E HA -0.291 4.149 4.350 -0.096 -0.148 0.198 25 E C 0.562 177.066 176.600 -0.160 0.000 0.998 25 E CA 2.429 58.770 56.400 -0.099 0.000 0.818 25 E CB -0.831 28.834 29.700 -0.058 0.000 0.741 25 E HN 0.531 8.831 8.360 -0.055 0.027 0.477 26 N N -3.515 115.086 118.700 -0.165 0.000 2.463 26 N HA -0.056 4.592 4.740 -0.154 0.000 0.181 26 N C -0.210 175.105 175.510 -0.324 0.000 1.078 26 N CA 1.250 54.188 53.050 -0.187 0.000 0.902 26 N CB 0.916 39.327 38.487 -0.128 0.000 0.970 26 N HN -0.620 7.636 8.380 -0.136 0.042 0.451 27 Q N -2.805 116.729 119.800 -0.443 0.000 3.007 27 Q HA 0.482 4.132 4.340 -1.149 0.000 0.321 27 Q C -1.974 173.515 176.000 -0.851 0.000 0.784 27 Q CA -2.014 53.338 55.803 -0.751 0.000 0.990 27 Q CB 0.260 28.768 28.738 -0.383 0.000 1.493 27 Q HN -0.015 7.858 8.270 -0.336 0.195 0.382 28 P HA 0.043 4.510 4.420 -0.213 -0.174 0.234 28 P C -0.140 177.054 177.300 -0.177 0.000 1.167 28 P CA 1.582 64.448 63.100 -0.390 0.000 0.763 28 P CB 0.034 31.573 31.700 -0.268 0.000 0.835 29 W N -4.346 117.030 121.300 0.127 0.000 3.278 29 W HA 0.343 5.184 4.660 0.087 -0.129 0.308 29 W C -1.212 175.395 176.519 0.146 0.000 1.253 29 W CA -3.374 54.038 57.345 0.111 0.000 1.759 29 W CB -0.960 28.551 29.460 0.085 0.000 1.093 29 W HN -0.695 6.537 8.180 -1.444 0.081 0.648 30 F N 4.017 123.999 119.950 0.053 0.000 2.467 30 F HA 0.308 5.120 4.527 0.226 -0.149 0.362 30 F C -1.983 173.913 175.800 0.160 0.000 1.090 30 F CA -0.276 57.800 58.000 0.128 0.000 1.202 30 F CB 1.714 40.717 39.000 0.006 0.000 1.113 30 F HN -0.156 7.988 8.300 0.035 0.176 0.541 31 A N 7.094 129.566 122.820 -0.580 0.000 2.330 31 A HA 0.789 5.214 4.320 -0.063 -0.142 0.327 31 A C -2.418 174.848 177.584 -0.530 0.000 1.155 31 A CA -2.351 49.496 52.037 -0.317 0.000 0.803 31 A CB 3.236 22.157 19.000 -0.131 0.000 1.208 31 A HN 0.479 8.090 8.150 -0.725 0.104 0.477 32 A N 2.982 125.788 122.820 -0.023 0.000 2.271 32 A HA 0.493 4.935 4.320 0.203 0.000 0.317 32 A C -1.989 175.721 177.584 0.210 0.000 1.245 32 A CA -1.869 50.316 52.037 0.246 0.000 0.857 32 A CB 1.713 21.063 19.000 0.584 0.000 1.175 32 A HN 0.550 8.801 8.150 0.168 0.000 0.512 33 I N 3.817 124.344 120.570 -0.073 0.000 2.377 33 I HA 0.592 5.069 4.170 0.253 -0.155 0.293 33 I C -1.132 174.880 176.117 -0.174 0.000 0.987 33 I CA -1.056 60.249 61.300 0.009 0.000 1.185 33 I CB 1.667 39.653 38.000 -0.024 0.000 1.341 33 I HN 0.426 8.481 8.210 -0.257 0.000 0.455 34 Y N 4.723 125.155 120.300 0.219 0.000 2.602 34 Y HA 0.709 5.451 4.550 0.132 -0.113 0.342 34 Y C -1.381 174.645 175.900 0.210 0.000 1.029 34 Y CA -2.068 56.158 58.100 0.211 0.000 1.080 34 Y CB 4.623 43.246 38.460 0.272 0.000 1.284 34 Y HN 0.936 9.556 8.280 0.566 0.000 0.485 35 R N -0.513 120.144 120.500 0.262 0.000 2.670 35 R HA 0.754 5.188 4.340 -0.112 -0.161 0.289 35 R C -1.138 175.175 176.300 0.022 0.000 0.965 35 R CA -2.064 54.030 56.100 -0.011 0.000 0.899 35 R CB 4.541 34.744 30.300 -0.161 0.000 1.173 35 R HN 0.832 9.274 8.270 0.287 0.000 0.456 36 R N 4.053 124.524 120.500 -0.047 0.000 2.349 36 R HA 0.232 4.586 4.340 0.023 0.000 0.299 36 R C -0.437 175.841 176.300 -0.036 0.000 1.027 36 R CA -0.511 55.581 56.100 -0.014 0.000 0.958 36 R CB 0.836 31.125 30.300 -0.018 0.000 1.047 36 R HN 0.660 8.852 8.270 -0.130 0.000 0.468 37 S N 1.963 117.669 115.700 0.010 0.000 3.309 37 S HA -0.384 4.096 4.470 0.016 0.000 0.475 37 S C -0.696 173.924 174.600 0.034 0.000 1.207 37 S CA 1.187 59.400 58.200 0.021 0.000 0.905 37 S CB 0.330 63.545 63.200 0.025 0.000 0.735 37 S HN 0.222 8.538 8.310 0.009 0.000 0.396 38 V N -2.080 117.866 119.914 0.052 0.000 2.555 38 V HA 0.698 5.080 4.120 0.089 -0.209 0.302 38 V C -0.721 175.473 176.094 0.168 0.000 1.038 38 V CA -1.823 60.536 62.300 0.097 0.000 0.887 38 V CB 2.423 34.283 31.823 0.063 0.000 0.991 38 V HN -0.177 8.039 8.190 0.044 0.000 0.434 39 T N 1.028 115.718 114.554 0.227 0.000 2.907 39 T HA 0.220 4.733 4.350 0.272 0.000 0.292 39 T C -1.686 173.245 174.700 0.384 0.000 1.043 39 T CA -2.057 60.202 62.100 0.265 0.000 1.003 39 T CB 2.386 71.347 68.868 0.155 0.000 1.084 39 T HN 0.301 8.663 8.240 0.205 0.000 0.483 40 Y N 3.961 124.395 120.300 0.223 0.000 2.346 40 Y HA -0.133 4.241 4.550 -0.293 0.000 0.330 40 Y C -1.330 174.618 175.900 0.080 0.000 1.178 40 Y CA 1.257 59.354 58.100 -0.004 0.000 1.331 40 Y CB 0.841 39.298 38.460 -0.005 0.000 1.253 40 Y HN 0.258 8.804 8.280 0.443 0.000 0.529 41 V N 5.758 125.306 119.914 -0.608 0.000 3.050 41 V HA -0.017 4.025 4.120 -0.130 0.000 0.223 41 V C -1.255 174.479 176.094 -0.601 0.000 1.162 41 V CA 0.885 62.960 62.300 -0.375 0.000 1.247 41 V CB 2.104 33.816 31.823 -0.185 0.000 1.125 41 V HN 0.517 8.047 8.190 -1.100 0.000 0.508 42 c N -5.158 112.942 118.600 -0.834 0.000 3.336 42 c HA 0.167 4.503 4.570 -0.389 0.000 0.339 42 c C -1.834 172.010 174.090 -0.411 0.000 1.468 42 c CA -0.678 55.325 56.329 -0.544 0.000 1.287 42 c CB 3.989 46.256 42.510 -0.406 0.000 1.682 42 c HN -0.696 7.025 8.230 -0.849 0.000 0.451 43 G N -1.357 107.407 108.800 -0.059 0.000 2.521 43 G HA2 0.796 4.834 3.960 -0.091 0.000 0.323 43 G HA3 0.796 4.929 3.960 0.287 0.000 0.323 43 G C -2.398 172.430 174.900 -0.120 0.000 1.211 43 G CA -1.410 43.693 45.100 0.005 0.000 0.979 43 G HN 0.561 8.833 8.290 -0.030 0.000 0.490 44 G N -3.508 105.137 108.800 -0.258 0.000 2.548 44 G HA2 0.659 4.882 3.960 -0.016 0.000 0.301 44 G HA3 0.659 4.566 3.960 -0.087 0.000 0.301 44 G C -2.768 172.089 174.900 -0.072 0.000 1.349 44 G CA 0.160 45.200 45.100 -0.100 0.000 0.792 44 G HN -0.227 7.668 8.290 -0.659 0.000 0.481 45 S N -1.032 114.687 115.700 0.031 0.000 2.541 45 S HA 0.890 5.687 4.470 0.179 -0.220 0.280 45 S C -1.662 172.996 174.600 0.097 0.000 1.112 45 S CA -0.682 57.593 58.200 0.125 0.000 0.925 45 S CB 4.411 67.701 63.200 0.149 0.000 1.067 45 S HN 0.337 8.664 8.310 0.028 0.000 0.479 46 L N 4.305 125.613 121.223 0.142 0.000 2.281 46 L HA 0.258 4.767 4.340 0.061 -0.133 0.285 46 L C -0.973 175.955 176.870 0.096 0.000 1.074 46 L CA -0.187 54.713 54.840 0.101 0.000 0.817 46 L CB 0.894 43.019 42.059 0.110 0.000 1.168 46 L HN 0.405 8.776 8.230 0.234 0.000 0.434 47 M N 5.344 124.992 119.600 0.080 0.000 2.429 47 M HA 0.106 4.600 4.480 0.022 0.000 0.265 47 M C 0.299 176.634 176.300 0.059 0.000 1.120 47 M CA 2.537 57.868 55.300 0.052 0.000 1.173 47 M CB 1.474 34.097 32.600 0.039 0.000 1.343 47 M HN 0.423 8.771 8.290 0.096 0.000 0.464 48 S N -4.302 111.458 115.700 0.099 0.000 2.720 48 S HA 0.486 4.999 4.470 0.072 0.000 0.287 48 S C -1.675 172.976 174.600 0.084 0.000 1.168 48 S CA -1.790 56.471 58.200 0.101 0.000 0.832 48 S CB 1.210 64.496 63.200 0.144 0.000 1.166 48 S HN -0.866 7.523 8.310 0.132 0.000 0.493 49 P HA -0.185 4.232 4.420 -0.006 0.000 0.216 49 P C 0.054 177.301 177.300 -0.087 0.000 1.153 49 P CA 2.427 65.527 63.100 0.000 0.000 0.858 49 P CB 0.098 31.808 31.700 0.017 0.000 0.789 50 c N -8.098 110.457 118.600 -0.075 0.000 2.906 50 c HA 0.268 4.638 4.570 -0.333 0.000 0.274 50 c C -0.977 172.856 174.090 -0.428 0.000 1.257 50 c CA -0.811 55.340 56.329 -0.296 0.000 1.695 50 c CB -1.065 41.220 42.510 -0.376 0.000 1.958 50 c HN 0.179 8.419 8.230 0.041 0.014 0.619 51 W N -1.800 119.425 121.300 -0.124 0.000 2.702 51 W HA 0.631 5.403 4.660 -0.132 -0.191 0.331 51 W C -1.486 174.968 176.519 -0.109 0.000 1.049 51 W CA -1.133 56.142 57.345 -0.117 0.000 1.230 51 W CB 3.095 32.500 29.460 -0.092 0.000 1.408 51 W HN -0.603 7.665 8.180 0.147 0.000 0.492 52 V N 1.748 121.744 119.914 0.137 0.000 2.769 52 V HA 0.774 5.100 4.120 0.062 -0.169 0.312 52 V C -2.008 174.137 176.094 0.086 0.000 1.061 52 V CA -1.579 60.756 62.300 0.057 0.000 0.931 52 V CB 4.106 35.913 31.823 -0.027 0.000 1.010 52 V HN 0.878 9.153 8.190 0.141 0.000 0.433 53 I N 5.103 125.711 120.570 0.063 0.000 2.530 53 I HA 0.908 5.291 4.170 0.069 -0.171 0.297 53 I C -2.206 173.935 176.117 0.040 0.000 1.011 53 I CA -2.580 58.756 61.300 0.060 0.000 1.107 53 I CB 3.102 41.139 38.000 0.062 0.000 1.285 53 I HN 0.756 8.999 8.210 0.055 0.000 0.436 54 S N 5.992 121.714 115.700 0.037 0.000 3.341 54 S HA 0.546 5.222 4.470 0.010 -0.200 0.326 54 S C -2.132 172.456 174.600 -0.019 0.000 1.178 54 S CA -1.835 56.383 58.200 0.029 0.000 1.002 54 S CB 2.308 65.577 63.200 0.116 0.000 1.385 54 S HN 0.564 8.899 8.310 0.041 0.000 0.710 55 A N -1.051 121.720 122.820 -0.082 0.000 2.337 55 A HA 0.547 4.911 4.320 -0.184 -0.154 0.329 55 A C 0.837 178.307 177.584 -0.190 0.000 1.146 55 A CA -1.531 50.372 52.037 -0.223 0.000 0.800 55 A CB 1.730 20.457 19.000 -0.454 0.000 1.220 55 A HN 0.324 8.422 8.150 -0.086 0.000 0.472 56 T N 6.183 120.604 114.554 -0.220 0.000 2.746 56 T HA -0.383 3.979 4.350 0.021 0.000 0.267 56 T C 1.226 175.687 174.700 -0.399 0.000 1.039 56 T CA 4.961 66.917 62.100 -0.240 0.000 1.142 56 T CB -0.126 68.501 68.868 -0.403 0.000 0.866 56 T HN 0.477 8.582 8.240 -0.235 -0.006 0.444 57 H N -0.774 117.944 119.070 -0.587 0.000 2.518 57 H HA -0.290 3.918 4.556 -0.581 0.000 0.292 57 H C 0.866 175.965 175.328 -0.382 0.000 1.068 57 H CA 2.377 58.103 56.048 -0.537 0.000 1.275 57 H CB -0.630 28.730 29.762 -0.670 0.000 1.375 57 H HN 0.023 8.366 8.280 -0.494 -0.359 0.563 58 c N -1.840 116.430 118.600 -0.549 0.000 2.464 58 c HA -0.162 4.194 4.570 -0.358 0.000 0.278 58 c C -0.112 173.472 174.090 -0.843 0.000 1.375 58 c CA 1.971 57.864 56.329 -0.727 0.000 1.761 58 c CB -1.449 40.368 42.510 -1.155 0.000 1.944 58 c HN -0.742 6.936 8.230 -0.649 0.162 0.509 59 F N -1.730 118.112 119.950 -0.180 0.000 2.457 59 F HA 0.430 4.940 4.527 -0.027 0.000 0.330 59 F C -0.885 174.891 175.800 -0.040 0.000 1.069 59 F CA -2.401 55.528 58.000 -0.119 0.000 1.009 59 F CB 0.682 39.541 39.000 -0.235 0.000 1.276 59 F HN -0.500 7.457 8.300 -0.339 0.140 0.492 60 P HA 0.321 4.910 4.420 0.281 0.000 0.459 60 P C -1.627 175.792 177.300 0.199 0.000 1.225 60 P CA -0.166 63.064 63.100 0.218 0.000 1.689 60 P CB 0.312 32.089 31.700 0.129 0.000 2.176 61 K N 0.677 121.231 120.400 0.258 0.000 2.168 61 K HA 0.278 4.670 4.320 0.120 0.000 0.239 61 K C 0.877 177.624 176.600 0.244 0.000 0.999 61 K CA -1.430 54.956 56.287 0.166 0.000 0.900 61 K CB 0.989 33.537 32.500 0.081 0.000 1.111 61 K HN -0.350 8.102 8.250 0.337 0.000 0.452 62 E N -1.528 118.734 120.200 0.103 0.000 3.428 62 E HA -0.382 3.999 4.350 0.052 0.000 0.253 62 E C 1.521 178.143 176.600 0.036 0.000 0.732 62 E CA 2.739 59.173 56.400 0.056 0.000 0.830 62 E CB -0.318 29.398 29.700 0.026 0.000 1.437 62 E HN 0.903 9.316 8.360 0.089 0.000 0.448 63 D N -2.469 117.935 120.400 0.006 0.000 2.349 63 D HA 0.126 4.727 4.640 -0.064 0.000 0.214 63 D C -1.557 174.637 176.300 -0.177 0.000 1.063 63 D CA -0.172 53.756 54.000 -0.120 0.000 0.847 63 D CB 0.615 41.277 40.800 -0.230 0.000 0.933 63 D HN 0.191 8.474 8.370 0.047 0.114 0.513 64 Y N -1.882 118.465 120.300 0.078 0.000 2.420 64 Y HA 0.526 5.331 4.550 0.140 -0.171 0.334 64 Y C -0.711 175.246 175.900 0.094 0.000 1.094 64 Y CA -0.449 57.721 58.100 0.116 0.000 1.126 64 Y CB 2.787 41.338 38.460 0.152 0.000 1.217 64 Y HN -0.573 7.690 8.280 0.237 0.159 0.462 65 I N 0.119 120.868 120.570 0.298 0.000 2.509 65 I HA 0.404 4.763 4.170 0.084 -0.138 0.293 65 I C -1.458 174.810 176.117 0.252 0.000 1.020 65 I CA -2.617 58.782 61.300 0.165 0.000 1.088 65 I CB 2.645 40.703 38.000 0.096 0.000 1.267 65 I HN 0.664 9.001 8.210 0.388 0.106 0.430 66 V N 6.576 126.564 119.914 0.123 0.000 2.555 66 V HA 0.548 5.053 4.120 0.347 -0.177 0.302 66 V C -1.604 174.583 176.094 0.156 0.000 1.038 66 V CA -1.557 60.876 62.300 0.221 0.000 0.887 66 V CB 2.736 34.656 31.823 0.160 0.000 0.991 66 V HN 0.346 8.555 8.190 0.031 0.000 0.434 67 Y N 4.506 125.024 120.300 0.363 0.000 2.446 67 Y HA 0.835 5.801 4.550 0.305 -0.233 0.345 67 Y C -0.972 175.108 175.900 0.300 0.000 0.984 67 Y CA -2.017 56.277 58.100 0.323 0.000 1.058 67 Y CB 4.164 42.803 38.460 0.298 0.000 1.220 67 Y HN 0.754 9.378 8.280 0.573 0.000 0.455 68 L N -1.083 120.414 121.223 0.458 0.000 2.341 68 L HA 0.562 5.068 4.340 0.277 0.000 0.267 68 L C 0.719 177.767 176.870 0.297 0.000 1.009 68 L CA -1.574 53.464 54.840 0.330 0.000 0.819 68 L CB 3.829 46.079 42.059 0.319 0.000 1.323 68 L HN 0.469 8.986 8.230 0.478 0.000 0.425 69 G N -1.290 107.647 108.800 0.229 0.000 2.198 69 G HA2 -0.458 3.739 3.960 0.131 0.000 0.257 69 G HA3 -0.458 3.596 3.960 0.157 0.000 0.257 69 G C -1.495 173.516 174.900 0.185 0.000 1.042 69 G CA 0.328 45.532 45.100 0.172 0.000 0.791 69 G HN 0.536 8.953 8.290 0.211 0.000 0.502 70 R N -1.753 118.898 120.500 0.252 0.000 2.295 70 R HA 0.062 4.509 4.340 0.179 0.000 0.324 70 R C -1.621 174.859 176.300 0.300 0.000 0.968 70 R CA -0.760 55.499 56.100 0.264 0.000 0.837 70 R CB 1.232 31.737 30.300 0.342 0.000 1.133 70 R HN -0.223 8.226 8.270 0.297 0.000 0.450 71 S N 3.583 119.411 115.700 0.212 0.000 2.492 71 S HA 0.026 4.583 4.470 0.145 0.000 0.218 71 S C -0.501 174.280 174.600 0.302 0.000 1.016 71 S CA 1.308 59.618 58.200 0.183 0.000 0.916 71 S CB 1.483 64.730 63.200 0.079 0.000 0.791 71 S HN 0.409 8.811 8.310 0.152 0.000 0.513 72 R N -0.776 119.873 120.500 0.249 0.000 2.832 72 R HA 0.615 5.302 4.340 0.270 -0.185 0.271 72 R C -0.344 175.900 176.300 -0.094 0.000 0.996 72 R CA -1.227 54.959 56.100 0.142 0.000 0.977 72 R CB 3.088 33.399 30.300 0.017 0.000 1.168 72 R HN -0.964 7.414 8.270 0.179 0.000 0.482 73 L N 0.775 121.759 121.223 -0.398 0.000 2.049 73 L HA -0.072 3.632 4.340 -1.061 0.000 0.203 73 L C 0.814 177.552 176.870 -0.219 0.000 1.074 73 L CA 2.104 56.537 54.840 -0.679 0.000 0.749 73 L CB 1.129 42.723 42.059 -0.775 0.000 0.907 73 L HN 0.563 8.551 8.230 -0.221 0.109 0.439 74 N N -3.128 115.478 118.700 -0.158 0.000 2.200 74 N HA 0.090 4.749 4.740 -0.135 0.000 0.224 74 N C -0.744 174.690 175.510 -0.126 0.000 1.179 74 N CA 0.344 53.324 53.050 -0.116 0.000 0.877 74 N CB 1.447 39.897 38.487 -0.062 0.000 1.072 74 N HN 0.017 8.618 8.380 -0.161 -0.317 0.519 75 S N 0.493 116.119 115.700 -0.124 0.000 2.600 75 S HA 0.319 4.729 4.470 -0.100 0.000 0.300 75 S C -1.242 173.289 174.600 -0.115 0.000 1.087 75 S CA -1.301 56.839 58.200 -0.100 0.000 0.965 75 S CB 2.290 65.448 63.200 -0.069 0.000 1.089 75 S HN -0.407 7.828 8.310 -0.126 0.000 0.496 76 N N 1.576 120.216 118.700 -0.101 0.000 2.483 76 N HA 0.014 4.789 4.740 -0.144 -0.121 0.269 76 N C -0.660 174.824 175.510 -0.043 0.000 1.209 76 N CA 0.294 53.287 53.050 -0.094 0.000 0.969 76 N CB 1.200 39.643 38.487 -0.074 0.000 1.173 76 N HN 0.160 8.489 8.380 -0.085 0.000 0.475 77 T N 1.357 115.899 114.554 -0.020 0.000 2.841 77 T HA 0.198 4.551 4.350 0.005 0.000 0.283 77 T C -1.209 173.503 174.700 0.020 0.000 1.000 77 T CA -0.599 61.508 62.100 0.013 0.000 0.977 77 T CB 2.059 70.954 68.868 0.045 0.000 0.979 77 T HN 0.163 8.745 8.240 -0.027 -0.359 0.446 78 Q N 5.341 125.151 119.800 0.017 0.000 2.332 78 Q HA -0.099 4.252 4.340 0.018 0.000 0.263 78 Q C 0.885 176.905 176.000 0.034 0.000 0.979 78 Q CA 1.150 56.965 55.803 0.020 0.000 0.885 78 Q CB 0.426 29.171 28.738 0.012 0.000 1.218 78 Q HN 0.329 8.606 8.270 0.013 0.000 0.405 79 G N 4.313 113.136 108.800 0.039 0.000 2.213 79 G HA2 -0.275 3.711 3.960 0.043 0.000 0.236 79 G HA3 -0.275 3.715 3.960 0.050 0.000 0.236 79 G C -0.323 174.623 174.900 0.077 0.000 0.991 79 G CA -0.529 44.602 45.100 0.051 0.000 0.629 79 G HN 0.376 8.686 8.290 0.032 0.000 0.517 80 E N 0.760 121.014 120.200 0.091 0.000 2.422 80 E HA -0.102 4.499 4.350 0.173 -0.147 0.260 80 E C -0.643 176.039 176.600 0.138 0.000 1.108 80 E CA 0.026 56.517 56.400 0.151 0.000 0.943 80 E CB 0.668 30.472 29.700 0.173 0.000 0.961 80 E HN -0.577 7.754 8.360 0.072 0.071 0.443 81 M N 0.350 120.054 119.600 0.174 0.000 2.395 81 M HA 0.304 4.717 4.480 -0.111 0.000 0.307 81 M C -1.674 174.528 176.300 -0.163 0.000 1.091 81 M CA -0.664 54.615 55.300 -0.035 0.000 0.919 81 M CB 4.614 37.239 32.600 0.042 0.000 1.662 81 M HN 0.383 8.834 8.290 0.268 0.000 0.440 82 K N 3.191 123.274 120.400 -0.528 0.000 2.207 82 K HA 0.691 4.659 4.320 -0.849 -0.158 0.255 82 K C -1.342 174.715 176.600 -0.906 0.000 0.941 82 K CA -0.954 54.892 56.287 -0.736 0.000 0.825 82 K CB 2.642 34.780 32.500 -0.603 0.000 1.119 82 K HN 0.206 8.143 8.250 -0.521 0.000 0.430 83 F N 1.850 121.633 119.950 -0.278 0.000 2.650 83 F HA 0.213 4.736 4.527 -0.133 -0.075 0.320 83 F C -1.761 173.956 175.800 -0.138 0.000 1.091 83 F CA -0.649 57.257 58.000 -0.157 0.000 0.962 83 F CB 4.544 43.476 39.000 -0.113 0.000 1.363 83 F HN 0.669 8.805 8.300 -0.273 0.000 0.482 84 E N -1.583 118.682 120.200 0.107 0.000 2.249 84 E HA 0.450 4.825 4.350 0.042 0.000 0.263 84 E C -1.038 175.583 176.600 0.036 0.000 0.950 84 E CA -1.848 54.579 56.400 0.044 0.000 0.827 84 E CB 3.855 33.560 29.700 0.009 0.000 1.220 84 E HN 0.744 9.086 8.360 0.158 0.113 0.411 85 V N 1.803 121.726 119.914 0.015 0.000 2.334 85 V HA 0.054 4.258 4.120 -0.095 -0.141 0.267 85 V C -0.722 175.330 176.094 -0.071 0.000 1.040 85 V CA 0.077 62.347 62.300 -0.050 0.000 0.866 85 V CB -0.814 30.989 31.823 -0.033 0.000 1.019 85 V HN 0.683 8.899 8.190 0.043 0.000 0.468 86 E N 7.482 127.607 120.200 -0.125 0.000 2.107 86 E HA -0.306 3.997 4.350 -0.078 0.000 0.191 86 E C -1.176 175.348 176.600 -0.127 0.000 0.982 86 E CA 2.542 58.868 56.400 -0.123 0.000 0.809 86 E CB 1.227 30.825 29.700 -0.170 0.000 0.756 86 E HN 0.587 8.754 8.360 -0.164 0.094 0.459 87 N N -4.300 114.293 118.700 -0.180 0.000 2.242 87 N HA 0.179 4.872 4.740 -0.079 0.000 0.292 87 N C -2.301 173.126 175.510 -0.139 0.000 1.125 87 N CA -0.623 52.352 53.050 -0.125 0.000 0.783 87 N CB 3.427 41.859 38.487 -0.091 0.000 1.558 87 N HN -0.671 7.563 8.380 -0.243 0.000 0.472 88 L N 2.685 123.840 121.223 -0.114 0.000 2.406 88 L HA 0.574 4.890 4.340 -0.269 -0.137 0.270 88 L C -1.328 175.468 176.870 -0.124 0.000 0.982 88 L CA -0.440 54.275 54.840 -0.208 0.000 0.843 88 L CB 2.277 44.180 42.059 -0.260 0.000 1.225 88 L HN 0.347 8.534 8.230 -0.071 0.000 0.412 89 I N 8.147 128.658 120.570 -0.098 0.000 2.355 89 I HA 0.274 4.432 4.170 -0.020 0.000 0.288 89 I C -1.471 174.654 176.117 0.014 0.000 0.999 89 I CA -0.859 60.417 61.300 -0.041 0.000 1.163 89 I CB 1.311 39.239 38.000 -0.120 0.000 1.316 89 I HN 0.977 9.118 8.210 -0.115 0.000 0.454 90 L N 5.377 126.625 121.223 0.041 0.000 2.352 90 L HA 0.423 4.785 4.340 0.036 0.000 0.269 90 L C -0.910 176.054 176.870 0.157 0.000 1.034 90 L CA -1.817 53.058 54.840 0.059 0.000 0.806 90 L CB 2.084 44.152 42.059 0.015 0.000 1.244 90 L HN 0.451 8.701 8.230 0.033 0.000 0.447 91 H N 2.019 121.083 119.070 -0.010 0.000 2.690 91 H HA -0.042 4.532 4.556 0.031 0.000 0.314 91 H C -0.505 174.863 175.328 0.066 0.000 1.069 91 H CA 0.535 56.535 56.048 -0.080 0.000 1.436 91 H CB 1.499 31.034 29.762 -0.380 0.000 1.462 91 H HN 0.114 8.435 8.280 0.067 0.000 0.511 92 K N 7.590 127.952 120.400 -0.063 0.000 2.339 92 K HA -0.032 4.358 4.320 0.117 0.000 0.286 92 K C -1.413 175.268 176.600 0.135 0.000 1.050 92 K CA 0.371 56.697 56.287 0.063 0.000 0.956 92 K CB -0.675 31.859 32.500 0.056 0.000 0.990 92 K HN 0.381 8.473 8.250 -0.264 0.000 0.475 93 D N -4.069 116.442 120.400 0.185 0.000 2.983 93 D HA -0.331 4.379 4.640 0.116 0.000 0.202 93 D C -1.946 174.475 176.300 0.202 0.000 0.979 93 D CA 0.797 54.909 54.000 0.187 0.000 0.987 93 D CB -2.407 38.535 40.800 0.237 0.000 1.045 93 D HN 0.357 8.825 8.370 0.164 0.000 0.451 94 Y N 0.672 121.050 120.300 0.131 0.000 2.442 94 Y HA -0.219 4.569 4.550 0.087 -0.186 0.330 94 Y C -0.824 175.136 175.900 0.100 0.000 1.129 94 Y CA 1.046 59.207 58.100 0.102 0.000 1.365 94 Y CB 0.600 39.112 38.460 0.087 0.000 1.233 94 Y HN -0.675 7.760 8.280 0.328 0.042 0.529 95 S N 7.153 122.386 115.700 -0.779 0.000 2.588 95 S HA 0.338 4.479 4.470 -0.548 0.000 0.275 95 S C -2.037 172.179 174.600 -0.641 0.000 1.130 95 S CA -0.861 56.981 58.200 -0.596 0.000 0.855 95 S CB 4.102 67.140 63.200 -0.269 0.000 1.116 95 S HN 0.147 8.093 8.310 -0.605 0.000 0.472 96 A N 1.086 123.670 122.820 -0.394 0.000 2.527 96 A HA 0.693 5.016 4.320 -0.343 -0.208 0.293 96 A C 0.657 178.101 177.584 -0.233 0.000 1.117 96 A CA -1.374 50.488 52.037 -0.291 0.000 0.723 96 A CB 1.664 20.593 19.000 -0.119 0.000 1.313 96 A HN 0.353 8.321 8.150 -0.305 0.000 0.411 97 L N 0.511 121.460 121.223 -0.457 0.000 2.403 97 L HA -0.481 3.579 4.340 -0.467 0.000 0.237 97 L C 0.285 176.334 176.870 -1.368 0.000 1.138 97 L CA 2.106 56.538 54.840 -0.680 0.000 0.841 97 L CB -0.184 41.509 42.059 -0.610 0.000 0.979 97 L HN 0.397 8.331 8.230 -0.493 0.000 0.435 98 A N -4.101 117.752 122.820 -1.612 0.000 2.313 98 A HA -0.037 1.949 4.320 -3.890 0.000 0.261 98 A C -1.556 175.297 177.584 -1.217 0.000 1.090 98 A CA -0.581 50.189 52.037 -2.112 0.000 0.807 98 A CB 1.683 19.845 19.000 -1.397 0.000 1.055 98 A HN -0.262 7.221 8.150 -1.112 0.000 0.492 99 H N -1.140 117.445 119.070 -0.809 0.000 2.538 99 H HA 0.773 5.341 4.556 -0.293 -0.188 0.353 99 H C -0.617 174.534 175.328 -0.294 0.000 1.109 99 H CA -1.345 54.540 56.048 -0.271 0.000 1.192 99 H CB 2.839 32.679 29.762 0.131 0.000 1.555 99 H HN 0.234 7.937 8.280 -0.961 0.000 0.518 100 H N 1.941 120.992 119.070 -0.031 0.000 2.569 100 H HA 0.301 4.915 4.556 0.096 0.000 0.357 100 H C -0.027 175.328 175.328 0.045 0.000 1.153 100 H CA -0.984 55.073 56.048 0.015 0.000 1.193 100 H CB 3.813 33.539 29.762 -0.061 0.000 1.602 100 H HN 0.762 8.902 8.280 -0.058 0.106 0.523 101 N N -0.960 117.810 118.700 0.118 0.000 2.714 101 N HA -0.364 4.174 4.740 -0.336 0.000 0.252 101 N C -1.294 174.086 175.510 -0.216 0.000 1.014 101 N CA 1.092 54.012 53.050 -0.216 0.000 0.735 101 N CB -0.731 37.615 38.487 -0.234 0.000 0.924 101 N HN 0.602 9.099 8.380 0.195 0.000 0.540 102 D N -1.345 118.997 120.400 -0.096 0.000 2.713 102 D HA 0.025 4.706 4.640 0.068 0.000 0.229 102 D C -1.849 174.286 176.300 -0.275 0.000 1.136 102 D CA -0.291 53.687 54.000 -0.036 0.000 1.010 102 D CB -0.855 40.041 40.800 0.159 0.000 1.084 102 D HN 0.103 8.443 8.370 -0.049 0.001 0.495 103 I N 0.491 120.802 120.570 -0.432 0.000 2.686 103 I HA 0.725 4.914 4.170 -0.261 -0.176 0.295 103 I C -2.732 173.261 176.117 -0.207 0.000 1.114 103 I CA -2.115 58.942 61.300 -0.406 0.000 1.038 103 I CB 3.988 41.516 38.000 -0.787 0.000 1.238 103 I HN -0.489 7.397 8.210 -0.455 0.051 0.420 104 A N 6.623 129.438 122.820 -0.009 0.000 2.556 104 A HA 0.939 5.525 4.320 0.243 -0.120 0.294 104 A C -2.439 175.210 177.584 0.109 0.000 1.091 104 A CA -1.636 50.458 52.037 0.095 0.000 0.704 104 A CB 4.118 23.099 19.000 -0.033 0.000 1.300 104 A HN 0.692 8.748 8.150 -0.016 0.085 0.406 105 L N -0.869 120.399 121.223 0.075 0.000 2.362 105 L HA 0.841 5.404 4.340 0.101 -0.162 0.271 105 L C -1.576 175.323 176.870 0.048 0.000 1.002 105 L CA -1.406 53.487 54.840 0.089 0.000 0.818 105 L CB 3.968 46.045 42.059 0.031 0.000 1.298 105 L HN 0.587 8.748 8.230 0.062 0.106 0.420 106 L N 1.493 122.753 121.223 0.062 0.000 2.376 106 L HA 0.641 5.057 4.340 -0.179 -0.183 0.275 106 L C -1.705 175.055 176.870 -0.184 0.000 0.987 106 L CA -0.821 53.945 54.840 -0.123 0.000 0.828 106 L CB 3.067 45.005 42.059 -0.202 0.000 1.249 106 L HN 0.951 9.268 8.230 0.144 0.000 0.409 107 K N 5.017 125.148 120.400 -0.448 0.000 2.211 107 K HA 0.801 4.648 4.320 -1.122 -0.200 0.275 107 K C -0.881 175.423 176.600 -0.494 0.000 1.024 107 K CA -1.426 54.310 56.287 -0.919 0.000 0.887 107 K CB 2.264 34.002 32.500 -1.271 0.000 1.084 107 K HN 0.603 8.536 8.250 -0.346 0.109 0.463 108 I N 1.291 121.589 120.570 -0.453 0.000 2.577 108 I HA 1.035 5.305 4.170 -0.173 -0.204 0.305 108 I C -1.161 174.855 176.117 -0.169 0.000 0.986 108 I CA -2.440 58.693 61.300 -0.278 0.000 1.189 108 I CB 2.652 40.382 38.000 -0.450 0.000 1.355 108 I HN 0.553 8.432 8.210 -0.552 0.000 0.476 109 R N 3.044 123.566 120.500 0.036 0.000 2.698 109 R HA 0.440 4.830 4.340 0.084 0.000 0.275 109 R C -0.412 176.010 176.300 0.204 0.000 1.001 109 R CA -1.853 54.301 56.100 0.090 0.000 0.896 109 R CB 4.257 34.549 30.300 -0.014 0.000 1.218 109 R HN 0.444 8.767 8.270 0.089 0.000 0.462 110 R N 1.196 121.724 120.500 0.045 0.000 2.212 110 R HA -0.339 4.025 4.340 0.041 0.000 0.323 110 R C -1.342 175.048 176.300 0.150 0.000 0.986 110 R CA 1.648 57.791 56.100 0.073 0.000 1.031 110 R CB -0.601 29.740 30.300 0.068 0.000 0.772 110 R HN 0.373 8.670 8.270 0.044 0.000 0.427 111 c N -1.035 117.626 118.600 0.102 0.000 2.548 111 c HA 0.113 4.679 4.570 -0.007 0.000 0.412 111 c C 0.437 174.605 174.090 0.131 0.000 1.588 111 c CA -1.581 54.767 56.329 0.032 0.000 1.861 111 c CB 1.428 43.896 42.510 -0.071 0.000 1.983 111 c HN 0.121 8.390 8.230 0.064 0.000 0.497 112 A N 0.297 123.074 122.820 -0.072 0.000 2.483 112 A HA -0.098 4.424 4.320 0.336 0.000 0.238 112 A C -0.880 176.767 177.584 0.105 0.000 1.070 112 A CA 0.727 52.804 52.037 0.067 0.000 0.770 112 A CB 0.748 19.704 19.000 -0.073 0.000 1.008 112 A HN 0.247 8.249 8.150 -0.247 0.000 0.497 113 Q N 0.598 120.484 119.800 0.143 0.000 2.342 113 Q HA 0.391 4.780 4.340 0.080 0.000 0.267 113 Q C -2.508 173.548 176.000 0.094 0.000 1.038 113 Q CA -3.255 52.609 55.803 0.101 0.000 0.832 113 Q CB 1.101 29.897 28.738 0.096 0.000 1.323 113 Q HN -0.101 8.289 8.270 0.199 0.000 0.448 114 P HA 0.056 4.656 4.420 0.083 -0.130 0.276 114 P C -1.217 176.123 177.300 0.067 0.000 1.230 114 P CA -0.415 62.729 63.100 0.074 0.000 0.776 114 P CB 0.857 32.596 31.700 0.065 0.000 0.888 115 S N 5.140 120.880 115.700 0.066 0.000 2.843 115 S HA 0.397 4.896 4.470 0.047 0.000 0.301 115 S C 0.032 174.657 174.600 0.043 0.000 1.206 115 S CA -1.317 56.915 58.200 0.053 0.000 0.875 115 S CB 1.867 65.103 63.200 0.060 0.000 1.248 115 S HN 0.129 8.481 8.310 0.071 0.000 0.555 116 R N -3.316 117.202 120.500 0.031 0.000 2.299 116 R HA 0.068 4.418 4.340 0.018 0.000 0.197 116 R C 0.180 176.481 176.300 0.003 0.000 0.971 116 R CA 1.782 57.892 56.100 0.016 0.000 1.030 116 R CB -0.155 30.153 30.300 0.012 0.000 0.932 116 R HN 0.428 8.717 8.270 0.032 0.000 0.477 117 T N -4.640 109.924 114.554 0.017 0.000 3.040 117 T HA 0.218 4.553 4.350 -0.026 0.000 0.266 117 T C -1.022 173.695 174.700 0.029 0.000 1.005 117 T CA -0.136 61.970 62.100 0.010 0.000 0.906 117 T CB 1.319 70.207 68.868 0.033 0.000 1.082 117 T HN -0.615 7.592 8.240 0.034 0.054 0.531 118 I N 1.816 122.416 120.570 0.050 0.000 2.468 118 I HA 0.546 4.984 4.170 0.084 -0.217 0.285 118 I C -2.674 173.500 176.117 0.094 0.000 1.039 118 I CA -0.858 60.493 61.300 0.085 0.000 1.074 118 I CB 2.560 40.630 38.000 0.116 0.000 1.228 118 I HN -0.670 7.454 8.210 0.048 0.115 0.436 119 Q N 7.395 127.276 119.800 0.134 0.000 2.482 119 Q HA 0.389 4.825 4.340 0.160 0.000 0.286 119 Q C -2.438 173.754 176.000 0.320 0.000 1.007 119 Q CA -1.619 54.308 55.803 0.207 0.000 0.801 119 Q CB 4.773 33.652 28.738 0.234 0.000 1.455 119 Q HN 0.492 8.735 8.270 0.137 0.110 0.398 120 T N -0.748 113.966 114.554 0.265 0.000 2.881 120 T HA 0.371 4.983 4.350 0.249 -0.113 0.278 120 T C -0.808 174.005 174.700 0.188 0.000 0.982 120 T CA -2.073 60.158 62.100 0.220 0.000 0.989 120 T CB 1.415 70.348 68.868 0.109 0.000 1.058 120 T HN 0.054 8.418 8.240 0.205 0.000 0.529 121 I N -0.346 120.206 120.570 -0.030 0.000 2.750 121 I HA 0.285 4.094 4.170 -0.603 0.000 0.308 121 I C -1.527 174.446 176.117 -0.239 0.000 1.016 121 I CA -2.099 58.936 61.300 -0.442 0.000 1.098 121 I CB 3.803 41.295 38.000 -0.846 0.000 1.279 121 I HN -0.093 8.124 8.210 0.013 0.000 0.454 122 C N 5.619 124.761 119.300 -0.262 0.000 2.459 122 C HA 0.242 4.643 4.460 -0.098 0.000 0.374 122 C C -0.937 173.979 174.990 -0.124 0.000 1.241 122 C CA -0.179 58.752 59.018 -0.144 0.000 2.352 122 C CB 0.667 28.336 27.740 -0.119 0.000 2.490 122 C HN -0.131 7.878 8.230 -0.369 0.000 0.583 123 L N 1.496 122.673 121.223 -0.076 0.000 2.360 123 L HA 0.360 4.666 4.340 -0.055 0.000 0.271 123 L C -0.551 176.293 176.870 -0.043 0.000 1.057 123 L CA -2.862 51.946 54.840 -0.052 0.000 0.803 123 L CB -0.265 41.775 42.059 -0.032 0.000 1.207 123 L HN 0.260 8.452 8.230 -0.063 0.000 0.445 124 P HA 0.056 4.461 4.420 -0.026 0.000 0.277 124 P C -1.482 175.806 177.300 -0.020 0.000 1.276 124 P CA -0.887 62.200 63.100 -0.021 0.000 0.788 124 P CB 0.914 32.611 31.700 -0.005 0.000 1.114 125 S N -1.660 114.033 115.700 -0.011 0.000 2.687 125 S HA 0.137 4.598 4.470 -0.015 0.000 0.283 125 S C 0.450 175.041 174.600 -0.015 0.000 1.170 125 S CA -0.711 57.484 58.200 -0.009 0.000 1.008 125 S CB 1.897 65.100 63.200 0.005 0.000 1.026 125 S HN 0.123 8.431 8.310 -0.004 0.000 0.541 126 M N 2.001 121.593 119.600 -0.014 0.000 2.408 126 M HA -0.460 3.905 4.480 -0.191 0.000 0.444 126 M C -0.532 175.814 176.300 0.077 0.000 1.600 126 M CA 1.452 56.740 55.300 -0.019 0.000 0.884 126 M CB -1.999 30.670 32.600 0.114 0.000 2.081 126 M HN 0.355 8.643 8.290 -0.004 0.000 0.510 127 Y N -3.034 117.207 120.300 -0.099 0.000 3.875 127 Y HA -0.509 4.021 4.550 -0.128 -0.057 0.216 127 Y C -1.129 174.783 175.900 0.019 0.000 1.148 127 Y CA 1.312 59.336 58.100 -0.127 0.000 1.629 127 Y CB -2.963 35.331 38.460 -0.276 0.000 1.506 127 Y HN 0.273 8.144 8.280 -0.680 0.000 0.629 128 N N 0.300 119.065 118.700 0.108 0.000 2.419 128 N HA 0.079 4.885 4.740 0.109 0.000 0.277 128 N C -2.027 173.534 175.510 0.086 0.000 1.006 128 N CA -0.657 52.448 53.050 0.092 0.000 0.923 128 N CB 1.640 40.159 38.487 0.052 0.000 1.140 128 N HN -0.352 8.019 8.380 0.048 0.038 0.488 129 D N 4.931 125.386 120.400 0.092 0.000 2.547 129 D HA 0.453 5.124 4.640 0.053 0.000 0.231 129 D C -2.402 173.924 176.300 0.044 0.000 1.099 129 D CA -1.999 52.045 54.000 0.073 0.000 0.901 129 D CB 2.555 43.422 40.800 0.110 0.000 1.478 129 D HN -0.075 8.355 8.370 0.099 0.000 0.471 130 P HA -0.008 4.406 4.420 -0.010 0.000 0.271 130 P C -1.258 176.049 177.300 0.010 0.000 1.244 130 P CA 0.021 63.117 63.100 -0.006 0.000 0.793 130 P CB 0.922 32.603 31.700 -0.032 0.000 0.984 131 Q N -2.460 117.323 119.800 -0.027 0.000 2.260 131 Q HA 0.207 4.587 4.340 0.066 0.000 0.238 131 Q C 1.009 176.971 176.000 -0.063 0.000 0.948 131 Q CA -0.945 54.837 55.803 -0.034 0.000 0.895 131 Q CB 1.472 30.121 28.738 -0.148 0.000 1.218 131 Q HN 0.187 8.423 8.270 -0.056 0.000 0.470 132 F N -1.621 118.312 119.950 -0.029 0.000 2.545 132 F HA -0.489 3.998 4.527 -0.067 0.000 0.348 132 F C 0.436 176.207 175.800 -0.049 0.000 1.163 132 F CA 0.762 58.731 58.000 -0.052 0.000 1.331 132 F CB -0.108 38.860 39.000 -0.054 0.000 1.138 132 F HN 0.031 8.542 8.300 0.352 0.000 0.602 133 G N 2.469 111.223 108.800 -0.077 0.000 2.349 133 G HA2 -0.375 3.545 3.960 -0.068 0.000 0.213 133 G HA3 -0.375 3.406 3.960 -0.298 0.000 0.213 133 G C -0.735 174.090 174.900 -0.125 0.000 1.044 133 G CA 0.013 45.019 45.100 -0.156 0.000 0.633 133 G HN 0.725 8.933 8.290 0.051 0.112 0.506 134 T N 5.468 119.945 114.554 -0.128 0.000 2.923 134 T HA -0.308 3.982 4.350 -0.100 0.000 0.304 134 T C -0.779 173.868 174.700 -0.087 0.000 1.044 134 T CA 2.312 64.352 62.100 -0.099 0.000 1.141 134 T CB 0.297 69.114 68.868 -0.086 0.000 1.023 134 T HN -0.496 7.569 8.240 -0.150 0.085 0.533 135 S N 4.637 120.289 115.700 -0.080 0.000 2.508 135 S HA 0.639 5.236 4.470 -0.089 -0.180 0.284 135 S C -0.425 174.130 174.600 -0.076 0.000 1.192 135 S CA -0.364 57.788 58.200 -0.079 0.000 1.070 135 S CB 1.126 64.285 63.200 -0.068 0.000 1.004 135 S HN 0.065 8.330 8.310 -0.075 0.000 0.493 136 c N 3.325 121.872 118.600 -0.089 0.000 2.971 136 c HA 0.503 5.100 4.570 -0.064 -0.065 0.310 136 c C -1.526 172.519 174.090 -0.075 0.000 1.285 136 c CA -1.461 54.816 56.329 -0.086 0.000 1.593 136 c CB 4.463 46.896 42.510 -0.128 0.000 2.076 136 c HN 1.065 9.236 8.230 -0.100 0.000 0.472 137 E N -0.899 119.273 120.200 -0.046 0.000 2.227 137 E HA 1.005 5.481 4.350 -0.046 -0.154 0.268 137 E C -1.000 175.592 176.600 -0.014 0.000 0.907 137 E CA -2.298 54.086 56.400 -0.028 0.000 0.786 137 E CB 2.760 32.461 29.700 0.002 0.000 1.191 137 E HN 0.735 9.075 8.360 -0.034 0.000 0.411 138 I N -4.732 115.829 120.570 -0.016 0.000 2.740 138 I HA 1.125 5.564 4.170 0.057 -0.235 0.303 138 I C -1.096 175.003 176.117 -0.030 0.000 1.044 138 I CA -2.648 58.666 61.300 0.023 0.000 1.064 138 I CB 3.472 41.514 38.000 0.069 0.000 1.249 138 I HN 0.094 8.284 8.210 -0.033 0.000 0.433 139 T N 1.121 115.645 114.554 -0.050 0.000 2.883 139 T HA 0.711 5.052 4.350 -0.258 -0.145 0.301 139 T C -1.353 173.129 174.700 -0.362 0.000 1.158 139 T CA -2.002 59.944 62.100 -0.257 0.000 1.007 139 T CB 2.391 71.068 68.868 -0.318 0.000 1.186 139 T HN -0.258 8.002 8.240 0.035 0.000 0.499 140 G N 2.463 110.893 108.800 -0.616 0.000 2.336 140 G HA2 0.161 3.647 3.960 -0.789 0.000 0.300 140 G HA3 0.161 4.164 3.960 -0.143 -0.129 0.300 140 G C -2.180 172.426 174.900 -0.491 0.000 1.375 140 G CA 0.525 45.320 45.100 -0.507 0.000 0.885 140 G HN 0.045 7.942 8.290 -0.655 0.000 0.599 141 F N 0.076 119.933 119.950 -0.155 0.000 2.647 141 F HA 0.290 4.707 4.527 -0.184 0.000 0.300 141 F C 0.772 176.367 175.800 -0.341 0.000 1.106 141 F CA -1.212 56.631 58.000 -0.263 0.000 1.313 141 F CB 0.538 39.219 39.000 -0.531 0.000 1.007 141 F HN 0.489 8.849 8.300 0.101 0.000 0.536 142 G N 0.261 108.988 108.800 -0.122 0.000 2.684 142 G HA2 -0.034 3.568 3.960 -0.598 0.000 0.255 142 G HA3 -0.034 4.012 3.960 -0.083 -0.136 0.255 142 G C -0.954 173.952 174.900 0.011 0.000 1.219 142 G CA -0.443 44.540 45.100 -0.195 0.000 0.901 142 G HN -0.400 8.029 8.290 -0.064 -0.177 0.548 143 K N -0.783 119.711 120.400 0.156 0.000 2.494 143 K HA -0.302 4.188 4.320 0.282 0.000 0.273 143 K C -0.326 176.338 176.600 0.107 0.000 0.970 143 K CA 1.627 58.040 56.287 0.211 0.000 0.963 143 K CB 0.343 32.971 32.500 0.215 0.000 0.913 143 K HN -0.105 8.246 8.250 0.168 0.000 0.502 144 E N -1.427 118.829 120.200 0.094 0.000 2.460 144 E HA 0.152 4.795 4.350 0.018 -0.283 0.200 144 E C -0.647 175.978 176.600 0.041 0.000 1.011 144 E CA 0.619 57.046 56.400 0.045 0.000 0.912 144 E CB 1.463 31.190 29.700 0.045 0.000 0.953 144 E HN -0.163 8.417 8.360 0.114 -0.152 0.494 145 A N -2.113 120.743 122.820 0.060 0.000 2.547 145 A HA 0.413 4.762 4.320 0.048 0.000 0.297 145 A C -0.373 177.255 177.584 0.073 0.000 1.056 145 A CA -0.574 51.496 52.037 0.055 0.000 0.688 145 A CB 1.835 20.864 19.000 0.048 0.000 1.282 145 A HN -0.713 7.520 8.150 0.078 -0.036 0.400 146 S N 1.712 117.455 115.700 0.071 0.000 2.447 146 S HA -0.259 4.269 4.470 0.096 0.000 0.233 146 S C 1.265 175.917 174.600 0.087 0.000 1.006 146 S CA 2.694 60.944 58.200 0.082 0.000 0.957 146 S CB -0.035 63.208 63.200 0.071 0.000 0.773 146 S HN 0.616 8.963 8.310 0.061 0.000 0.507 147 T N -3.720 110.882 114.554 0.080 0.000 3.088 147 T HA -0.079 4.327 4.350 0.093 0.000 0.259 147 T C 0.394 175.170 174.700 0.126 0.000 1.122 147 T CA 0.101 62.257 62.100 0.094 0.000 1.095 147 T CB -0.298 68.617 68.868 0.078 0.000 0.930 147 T HN -0.363 7.893 8.240 0.070 0.026 0.508 148 D N 2.933 123.390 120.400 0.096 0.000 2.368 148 D HA -0.087 4.573 4.640 0.034 0.000 0.240 148 D C -0.413 175.947 176.300 0.101 0.000 1.169 148 D CA 0.407 54.436 54.000 0.048 0.000 0.906 148 D CB 0.968 41.766 40.800 -0.003 0.000 1.187 148 D HN -0.506 7.751 8.370 0.085 0.164 0.435 149 Y N -4.894 115.409 120.300 0.005 0.000 2.675 149 Y HA 0.232 4.760 4.550 -0.038 0.000 0.248 149 Y C -1.813 174.020 175.900 -0.110 0.000 1.161 149 Y CA -0.980 57.096 58.100 -0.040 0.000 1.203 149 Y CB 0.369 38.812 38.460 -0.029 0.000 1.262 149 Y HN 0.042 8.001 8.280 -0.535 0.000 0.544 150 L N -1.018 119.989 121.223 -0.360 0.000 2.359 150 L HA 0.221 4.358 4.340 -0.337 0.000 0.256 150 L C -1.069 175.723 176.870 -0.130 0.000 1.026 150 L CA -1.306 53.341 54.840 -0.321 0.000 0.828 150 L CB 3.524 45.401 42.059 -0.303 0.000 1.406 150 L HN -0.829 7.135 8.230 -0.332 0.067 0.413 151 Y N -0.723 119.569 120.300 -0.014 0.000 2.457 151 Y HA 0.392 4.969 4.550 0.046 0.000 0.333 151 Y C -1.681 174.230 175.900 0.018 0.000 1.119 151 Y CA -3.829 54.286 58.100 0.025 0.000 1.143 151 Y CB 0.172 38.652 38.460 0.033 0.000 1.230 151 Y HN 0.060 8.285 8.280 -0.092 0.000 0.469 152 P HA -0.003 4.505 4.420 0.147 0.000 0.269 152 P C -1.260 176.138 177.300 0.164 0.000 1.215 152 P CA -0.444 62.781 63.100 0.208 0.000 0.780 152 P CB 1.168 33.053 31.700 0.310 0.000 0.898 153 E N -1.603 118.646 120.200 0.083 0.000 2.385 153 E HA -0.065 4.253 4.350 -0.055 0.000 0.194 153 E C -0.156 176.506 176.600 0.104 0.000 1.013 153 E CA 1.231 57.638 56.400 0.012 0.000 0.866 153 E CB 0.533 30.208 29.700 -0.042 0.000 0.832 153 E HN 0.400 8.794 8.360 0.057 0.000 0.500 154 Q N -1.108 118.780 119.800 0.146 0.000 2.274 154 Q HA 0.260 4.843 4.340 0.195 -0.126 0.260 154 Q C -0.170 176.021 176.000 0.317 0.000 0.974 154 Q CA -1.313 54.592 55.803 0.170 0.000 0.876 154 Q CB 1.647 30.281 28.738 -0.174 0.000 1.297 154 Q HN -0.550 7.753 8.270 0.118 0.038 0.446 155 L N 6.270 127.578 121.223 0.141 0.000 2.483 155 L HA -0.011 3.794 4.340 -0.892 0.000 0.276 155 L C -1.138 175.644 176.870 -0.146 0.000 1.213 155 L CA 0.822 55.428 54.840 -0.389 0.000 0.843 155 L CB 1.012 42.760 42.059 -0.518 0.000 1.107 155 L HN 0.228 8.564 8.230 0.177 0.000 0.487 156 K N 3.214 123.429 120.400 -0.309 0.000 2.400 156 K HA 0.855 5.235 4.320 -0.170 -0.161 0.246 156 K C -1.662 174.767 176.600 -0.285 0.000 0.995 156 K CA -1.699 54.446 56.287 -0.237 0.000 0.840 156 K CB 4.165 36.520 32.500 -0.242 0.000 1.293 156 K HN -0.213 7.719 8.250 -0.530 0.000 0.445 157 M N -0.128 119.339 119.600 -0.221 0.000 2.578 157 M HA 0.855 5.406 4.480 -0.180 -0.178 0.276 157 M C -2.433 173.784 176.300 -0.139 0.000 1.245 157 M CA -0.443 54.751 55.300 -0.175 0.000 0.871 157 M CB 4.875 37.382 32.600 -0.155 0.000 1.722 157 M HN 0.422 8.580 8.290 -0.220 0.000 0.473 158 T N 0.991 115.484 114.554 -0.103 0.000 2.711 158 T HA 0.424 4.718 4.350 -0.092 0.000 0.302 158 T C -2.402 172.258 174.700 -0.067 0.000 1.373 158 T CA -1.288 60.759 62.100 -0.087 0.000 1.000 158 T CB 2.576 71.394 68.868 -0.084 0.000 1.483 158 T HN 0.059 8.245 8.240 -0.089 0.000 0.499 159 V N 2.401 122.276 119.914 -0.066 0.000 2.656 159 V HA 0.823 5.092 4.120 -0.063 -0.186 0.307 159 V C -1.001 175.047 176.094 -0.077 0.000 1.051 159 V CA -1.276 60.985 62.300 -0.066 0.000 0.893 159 V CB 2.860 34.647 31.823 -0.061 0.000 0.999 159 V HN 0.365 8.513 8.190 -0.069 0.000 0.426 160 V N 0.367 120.229 119.914 -0.088 0.000 3.141 160 V HA 0.509 4.560 4.120 -0.114 0.000 0.312 160 V C -2.212 173.812 176.094 -0.116 0.000 1.157 160 V CA -2.557 59.679 62.300 -0.106 0.000 1.041 160 V CB 3.325 35.094 31.823 -0.089 0.000 1.071 160 V HN 0.826 8.962 8.190 -0.090 0.000 0.441 161 K N -0.675 119.650 120.400 -0.126 0.000 2.208 161 K HA 0.828 5.291 4.320 -0.102 -0.204 0.247 161 K C -0.558 175.984 176.600 -0.097 0.000 0.953 161 K CA -2.167 54.056 56.287 -0.107 0.000 0.837 161 K CB 3.781 36.223 32.500 -0.097 0.000 1.131 161 K HN 0.502 8.559 8.250 -0.145 0.106 0.431 162 L N 0.482 121.661 121.223 -0.074 0.000 2.397 162 L HA 0.185 4.596 4.340 -0.086 -0.123 0.271 162 L C 0.267 177.151 176.870 0.024 0.000 1.148 162 L CA 0.052 54.862 54.840 -0.050 0.000 0.825 162 L CB 0.415 42.455 42.059 -0.031 0.000 1.117 162 L HN 0.208 8.394 8.230 -0.074 0.000 0.456 163 I N -3.929 116.642 120.570 0.002 0.000 2.957 163 I HA 0.473 4.710 4.170 0.111 0.000 0.310 163 I C -1.216 174.848 176.117 -0.088 0.000 1.063 163 I CA -1.931 59.377 61.300 0.013 0.000 1.033 163 I CB 2.995 40.992 38.000 -0.004 0.000 1.230 163 I HN 0.384 8.569 8.210 -0.041 0.000 0.447 164 S N -0.364 115.201 115.700 -0.225 0.000 2.624 164 S HA 0.015 4.343 4.470 -0.236 0.000 0.263 164 S C 0.938 175.359 174.600 -0.299 0.000 1.287 164 S CA -0.299 57.706 58.200 -0.324 0.000 0.990 164 S CB 1.362 64.207 63.200 -0.592 0.000 0.950 164 S HN 0.409 8.553 8.310 -0.277 0.000 0.561 165 H N 2.722 121.738 119.070 -0.090 0.000 2.363 165 H HA -0.172 4.375 4.556 -0.015 0.000 0.301 165 H C 2.323 177.600 175.328 -0.086 0.000 1.074 165 H CA 4.687 60.707 56.048 -0.046 0.000 1.354 165 H CB -0.133 29.619 29.762 -0.017 0.000 1.397 165 H HN 0.706 8.972 8.280 -0.024 0.000 0.516 166 R N -0.675 119.811 120.500 -0.024 0.000 2.119 166 R HA -0.368 3.950 4.340 -0.036 0.000 0.246 166 R C 1.682 177.880 176.300 -0.169 0.000 1.146 166 R CA 3.260 59.309 56.100 -0.084 0.000 0.962 166 R CB -0.757 29.471 30.300 -0.120 0.000 0.863 166 R HN 0.372 8.633 8.270 -0.015 0.000 0.442 167 E N -2.025 118.026 120.200 -0.247 0.000 2.072 167 E HA -0.278 3.816 4.350 -0.428 0.000 0.191 167 E C 2.113 178.357 176.600 -0.594 0.000 0.985 167 E CA 2.640 58.794 56.400 -0.409 0.000 0.801 167 E CB -0.063 29.443 29.700 -0.323 0.000 0.750 167 E HN -0.644 7.564 8.360 -0.243 0.007 0.452 168 c N -1.146 117.290 118.600 -0.274 0.000 2.450 168 c HA -0.256 4.325 4.570 0.018 0.000 0.279 168 c C 0.055 174.158 174.090 0.020 0.000 1.335 168 c CA 1.669 57.962 56.329 -0.060 0.000 1.749 168 c CB -0.896 41.658 42.510 0.074 0.000 1.963 168 c HN -0.370 7.671 8.230 -0.194 0.072 0.501 169 Q N -0.137 119.664 119.800 0.002 0.000 2.844 169 Q HA 0.208 4.829 4.340 0.155 -0.188 0.235 169 Q C 0.459 176.470 176.000 0.019 0.000 1.336 169 Q CA -0.975 54.872 55.803 0.074 0.000 1.026 169 Q CB -1.853 26.937 28.738 0.087 0.000 1.513 169 Q HN 0.169 8.416 8.270 -0.037 0.000 0.577 170 H N -0.623 118.509 119.070 0.103 0.000 2.590 170 H HA -0.435 4.143 4.556 0.036 0.000 0.337 170 H C -0.420 174.967 175.328 0.099 0.000 0.901 170 H CA 1.791 57.891 56.048 0.087 0.000 1.152 170 H CB -1.151 28.652 29.762 0.069 0.000 1.429 170 H HN 0.338 8.968 8.280 0.583 0.000 0.391 171 Y N -1.326 118.795 120.300 -0.298 0.000 2.710 171 Y HA 0.491 4.934 4.550 -0.567 -0.232 0.117 171 Y C 0.974 176.661 175.900 -0.355 0.000 0.875 171 Y CA -1.094 56.722 58.100 -0.474 0.000 1.795 171 Y CB 1.638 39.839 38.460 -0.431 0.000 1.154 171 Y HN -0.513 7.844 8.280 0.129 0.000 0.308 172 Y N -4.002 116.434 120.300 0.228 0.000 2.500 172 Y HA 0.074 4.734 4.550 0.183 0.000 0.246 172 Y C 0.050 176.052 175.900 0.170 0.000 1.146 172 Y CA -0.840 57.384 58.100 0.208 0.000 1.230 172 Y CB 0.765 39.406 38.460 0.301 0.000 1.214 172 Y HN -0.148 8.243 8.280 0.184 0.000 0.526 173 G N 0.291 109.241 108.800 0.249 0.000 2.574 173 G HA2 -0.466 3.725 3.960 0.134 0.000 0.282 173 G HA3 -0.466 3.589 3.960 0.158 0.000 0.282 173 G C -0.107 174.903 174.900 0.183 0.000 1.257 173 G CA 0.890 46.096 45.100 0.175 0.000 0.956 173 G HN -0.688 7.725 8.290 0.205 0.000 0.560 174 S N 0.502 116.285 115.700 0.139 0.000 2.840 174 S HA -0.016 4.537 4.470 0.139 0.000 0.235 174 S C -0.105 174.587 174.600 0.153 0.000 0.968 174 S CA 0.413 58.692 58.200 0.131 0.000 1.026 174 S CB -0.791 62.461 63.200 0.086 0.000 0.788 174 S HN 0.278 8.657 8.310 0.114 0.000 0.487 175 E N 0.120 120.438 120.200 0.196 0.000 2.299 175 E HA -0.139 4.278 4.350 0.112 0.000 0.193 175 E C -0.777 175.974 176.600 0.252 0.000 0.998 175 E CA 1.182 57.679 56.400 0.163 0.000 0.851 175 E CB 0.516 30.286 29.700 0.117 0.000 0.795 175 E HN -0.339 8.045 8.360 0.238 0.119 0.492 176 V N 0.119 120.221 119.914 0.315 0.000 2.432 176 V HA 0.024 4.364 4.120 0.367 0.000 0.275 176 V C -0.576 175.658 176.094 0.232 0.000 1.043 176 V CA 0.188 62.678 62.300 0.318 0.000 0.925 176 V CB 0.337 32.353 31.823 0.322 0.000 0.985 176 V HN -0.933 7.399 8.190 0.302 0.040 0.466 177 T N 2.912 117.587 114.554 0.203 0.000 2.870 177 T HA 0.374 4.786 4.350 0.104 0.000 0.277 177 T C 0.840 175.564 174.700 0.041 0.000 1.000 177 T CA -2.000 60.176 62.100 0.127 0.000 0.982 177 T CB 2.055 71.019 68.868 0.160 0.000 1.249 177 T HN -0.437 7.933 8.240 0.217 0.000 0.589 178 T N -4.772 109.747 114.554 -0.059 0.000 3.035 178 T HA -0.206 3.848 4.350 -0.493 0.000 0.268 178 T C 0.794 175.363 174.700 -0.220 0.000 1.109 178 T CA 2.608 64.576 62.100 -0.221 0.000 1.119 178 T CB -0.439 68.356 68.868 -0.121 0.000 0.900 178 T HN 0.234 8.465 8.240 -0.015 0.000 0.503 179 K N 0.651 121.007 120.400 -0.074 0.000 2.437 179 K HA 0.147 4.278 4.320 -0.315 0.000 0.198 179 K C -1.464 175.183 176.600 0.079 0.000 1.024 179 K CA -0.470 55.771 56.287 -0.077 0.000 1.148 179 K CB -0.150 32.364 32.500 0.024 0.000 0.860 179 K HN -0.616 7.583 8.250 0.010 0.057 0.515 180 M N -2.180 117.481 119.600 0.102 0.000 2.727 180 M HA 0.806 5.552 4.480 0.168 -0.165 0.300 180 M C -1.760 174.663 176.300 0.206 0.000 1.246 180 M CA -1.014 54.385 55.300 0.165 0.000 0.835 180 M CB 5.486 38.192 32.600 0.177 0.000 1.755 180 M HN -0.664 7.575 8.290 0.077 0.098 0.473 181 L N -3.619 117.689 121.223 0.142 0.000 2.424 181 L HA 0.522 4.837 4.340 -0.040 0.000 0.258 181 L C -1.924 174.982 176.870 0.060 0.000 0.995 181 L CA -1.287 53.586 54.840 0.054 0.000 0.821 181 L CB 5.131 47.214 42.059 0.041 0.000 1.383 181 L HN 0.200 8.513 8.230 0.138 0.000 0.410 182 c N -0.409 118.180 118.600 -0.018 0.000 2.561 182 c HA 1.067 5.939 4.570 0.147 -0.214 0.319 182 c C -1.374 172.734 174.090 0.030 0.000 1.198 182 c CA -1.450 54.916 56.329 0.062 0.000 1.665 182 c CB 2.939 45.481 42.510 0.054 0.000 2.258 182 c HN 0.826 8.975 8.230 -0.135 0.000 0.493 183 A N 1.699 124.574 122.820 0.091 0.000 2.455 183 A HA 1.098 5.528 4.320 -0.058 -0.145 0.300 183 A C -2.540 175.048 177.584 0.007 0.000 1.040 183 A CA -1.079 50.946 52.037 -0.021 0.000 0.697 183 A CB 3.476 22.364 19.000 -0.187 0.000 1.265 183 A HN 0.408 8.688 8.150 0.217 0.000 0.407 184 A N 1.036 123.792 122.820 -0.106 0.000 4.504 184 A HA 0.473 4.735 4.320 -0.097 0.000 0.202 184 A C -0.711 176.681 177.584 -0.319 0.000 0.770 184 A CA -0.309 51.596 52.037 -0.221 0.000 0.714 184 A CB 2.003 20.721 19.000 -0.470 0.000 1.741 184 A HN 0.624 8.695 8.150 -0.131 0.000 0.888 185 Q N -0.618 119.012 119.800 -0.284 0.000 2.065 185 Q HA -0.443 3.941 4.340 0.073 0.000 0.304 185 Q C -0.835 175.191 176.000 0.044 0.000 1.022 185 Q CA 0.707 56.475 55.803 -0.058 0.000 1.010 185 Q CB -1.743 26.990 28.738 -0.007 0.000 1.344 185 Q HN 0.528 8.647 8.270 -0.252 0.000 0.543 186 W N -7.956 113.333 121.300 -0.018 0.000 7.375 186 W HA -0.290 4.354 4.660 -0.028 0.000 0.411 186 W C -0.403 176.103 176.519 -0.023 0.000 1.571 186 W CA 0.125 57.453 57.345 -0.028 0.000 1.190 186 W CB -2.819 26.613 29.460 -0.046 0.000 2.764 186 W HN 0.029 7.645 8.180 -0.940 0.000 1.663 187 K N -2.947 117.493 120.400 0.066 0.000 2.313 187 K HA 0.186 4.549 4.320 0.071 0.000 0.197 187 K C 0.136 176.748 176.600 0.020 0.000 1.061 187 K CA 0.179 56.492 56.287 0.044 0.000 0.980 187 K CB 1.812 34.318 32.500 0.010 0.000 0.888 187 K HN -0.344 8.175 8.250 -0.019 -0.280 0.502 188 T N -2.924 111.629 114.554 -0.002 0.000 2.916 188 T HA 0.297 4.773 4.350 -0.007 -0.131 0.292 188 T C -2.292 172.413 174.700 0.008 0.000 1.055 188 T CA -1.465 60.628 62.100 -0.012 0.000 1.009 188 T CB 2.437 71.279 68.868 -0.044 0.000 1.118 188 T HN -0.591 7.637 8.240 -0.021 0.000 0.497 189 D N 1.220 121.631 120.400 0.018 0.000 2.804 189 D HA 0.217 4.890 4.640 0.055 0.000 0.309 189 D C -1.959 174.371 176.300 0.050 0.000 1.311 189 D CA -0.781 53.249 54.000 0.051 0.000 0.765 189 D CB 2.366 43.216 40.800 0.083 0.000 1.293 189 D HN -0.369 8.002 8.370 0.002 0.000 0.434 190 S N -1.584 114.163 115.700 0.077 0.000 2.681 190 S HA 0.244 4.833 4.470 0.047 -0.092 0.270 190 S C -1.445 173.184 174.600 0.047 0.000 1.209 190 S CA -0.364 57.873 58.200 0.061 0.000 0.988 190 S CB 1.526 64.767 63.200 0.070 0.000 1.006 190 S HN 0.283 8.655 8.310 0.103 0.000 0.558 191 c N -1.744 116.883 118.600 0.046 0.000 3.284 191 c HA 0.131 4.741 4.570 0.067 0.000 0.348 191 c C -1.487 172.652 174.090 0.081 0.000 1.448 191 c CA -0.427 55.942 56.329 0.067 0.000 1.223 191 c CB 2.917 45.471 42.510 0.074 0.000 1.588 191 c HN 0.091 8.536 8.230 0.042 -0.190 0.451 192 Q N 2.156 122.025 119.800 0.115 0.000 2.304 192 Q HA -0.251 4.173 4.340 0.141 0.000 0.301 192 Q C 0.940 177.033 176.000 0.155 0.000 1.063 192 Q CA 2.435 58.332 55.803 0.156 0.000 0.947 192 Q CB 0.765 29.616 28.738 0.189 0.000 1.201 192 Q HN 0.596 8.934 8.270 0.114 0.000 0.389 193 G N 4.937 113.806 108.800 0.115 0.000 2.234 193 G HA2 -0.324 3.623 3.960 -0.021 0.000 0.235 193 G HA3 -0.324 3.282 3.960 -0.589 0.000 0.235 193 G C -0.270 174.612 174.900 -0.029 0.000 0.997 193 G CA 0.633 45.656 45.100 -0.129 0.000 0.623 193 G HN 0.685 9.065 8.290 0.149 0.000 0.514 194 D N 0.376 120.797 120.400 0.035 0.000 2.360 194 D HA 0.046 4.761 4.640 0.124 0.000 0.210 194 D C 0.056 176.411 176.300 0.091 0.000 1.047 194 D CA 0.491 54.539 54.000 0.081 0.000 0.854 194 D CB 0.649 41.483 40.800 0.055 0.000 0.936 194 D HN 0.129 8.436 8.370 0.049 0.093 0.514 195 S N -0.918 114.821 115.700 0.065 0.000 2.561 195 S HA -0.508 4.098 4.470 0.033 -0.117 0.294 195 S C 1.058 175.619 174.600 -0.065 0.000 1.294 195 S CA 3.431 61.639 58.200 0.013 0.000 1.055 195 S CB 0.242 63.471 63.200 0.048 0.000 0.819 195 S HN -0.409 7.896 8.310 0.078 0.052 0.503 196 G N 4.163 112.901 108.800 -0.105 0.000 2.267 196 G HA2 -0.484 3.473 3.960 -0.106 0.000 0.257 196 G HA3 -0.484 3.525 3.960 -0.123 -0.123 0.257 196 G C -0.160 174.766 174.900 0.043 0.000 0.998 196 G CA 0.396 45.448 45.100 -0.079 0.000 0.620 196 G HN 0.546 8.771 8.290 -0.108 0.000 0.529 197 G N 0.725 109.605 108.800 0.134 0.000 2.616 197 G HA2 0.366 4.487 3.960 0.269 0.000 0.268 197 G HA3 0.366 4.562 3.960 0.394 0.000 0.268 197 G C -2.806 172.241 174.900 0.245 0.000 1.213 197 G CA -1.918 43.346 45.100 0.274 0.000 0.926 197 G HN -0.487 7.770 8.290 0.117 0.103 0.523 198 P HA 0.525 5.192 4.420 0.171 -0.144 0.287 198 P C -1.927 175.470 177.300 0.163 0.000 1.270 198 P CA -1.531 61.696 63.100 0.211 0.000 0.844 198 P CB 2.096 33.939 31.700 0.239 0.000 1.068 199 L N 3.000 124.266 121.223 0.071 0.000 2.345 199 L HA 0.461 4.892 4.340 -0.079 -0.138 0.274 199 L C -2.099 174.732 176.870 -0.065 0.000 0.999 199 L CA -0.873 53.915 54.840 -0.087 0.000 0.849 199 L CB 1.747 43.608 42.059 -0.330 0.000 1.220 199 L HN 0.009 8.279 8.230 0.067 0.000 0.422 200 V N 8.207 128.098 119.914 -0.038 0.000 2.417 200 V HA 0.831 5.110 4.120 -0.094 -0.216 0.291 200 V C -1.058 175.000 176.094 -0.059 0.000 1.024 200 V CA -1.386 60.882 62.300 -0.055 0.000 0.861 200 V CB 2.169 33.992 31.823 0.000 0.000 0.985 200 V HN 0.829 9.010 8.190 -0.014 0.000 0.436 201 c N 5.797 124.350 118.600 -0.078 0.000 2.971 201 c HA 0.435 4.972 4.570 -0.056 0.000 0.310 201 c C -1.410 172.642 174.090 -0.062 0.000 1.285 201 c CA -1.766 54.523 56.329 -0.066 0.000 1.593 201 c CB 4.133 46.599 42.510 -0.073 0.000 2.076 201 c HN 0.805 8.978 8.230 -0.095 0.000 0.472 202 S N 1.024 116.695 115.700 -0.048 0.000 2.508 202 S HA 0.919 5.591 4.470 -0.052 -0.233 0.284 202 S C -0.874 173.700 174.600 -0.042 0.000 1.192 202 S CA -0.855 57.319 58.200 -0.043 0.000 1.070 202 S CB 0.850 64.033 63.200 -0.029 0.000 1.004 202 S HN 0.384 8.666 8.310 -0.046 0.000 0.493 203 L N 4.224 125.422 121.223 -0.041 0.000 2.410 203 L HA 0.352 4.675 4.340 -0.028 0.000 0.270 203 L C -0.728 176.126 176.870 -0.026 0.000 0.983 203 L CA -0.573 54.248 54.840 -0.031 0.000 0.822 203 L CB 3.127 45.169 42.059 -0.028 0.000 1.285 203 L HN 0.734 8.832 8.230 -0.046 0.104 0.409 204 Q N 3.986 123.774 119.800 -0.020 0.000 2.408 204 Q HA -0.425 3.907 4.340 -0.014 0.000 0.290 204 Q C -0.320 175.671 176.000 -0.016 0.000 1.221 204 Q CA 0.905 56.699 55.803 -0.015 0.000 0.895 204 Q CB -1.520 27.211 28.738 -0.012 0.000 1.241 204 Q HN 0.899 9.158 8.270 -0.019 0.000 0.494 205 G N -5.786 103.003 108.800 -0.017 0.000 2.234 205 G HA2 -0.382 3.571 3.960 -0.012 0.000 0.235 205 G HA3 -0.382 3.571 3.960 -0.010 0.000 0.235 205 G C -0.832 174.059 174.900 -0.015 0.000 0.997 205 G CA -0.308 44.784 45.100 -0.014 0.000 0.623 205 G HN 0.019 8.274 8.290 -0.020 0.023 0.514 206 R N 0.206 120.691 120.500 -0.026 0.000 2.720 206 R HA 0.316 4.640 4.340 -0.026 0.000 0.272 206 R C -1.158 175.105 176.300 -0.063 0.000 0.991 206 R CA -1.816 54.261 56.100 -0.039 0.000 1.010 206 R CB 1.862 32.132 30.300 -0.050 0.000 1.141 206 R HN 0.032 8.116 8.270 -0.028 0.168 0.494 207 M N 1.612 121.158 119.600 -0.091 0.000 2.108 207 M HA 0.238 4.793 4.480 -0.096 -0.133 0.347 207 M C -0.585 175.575 176.300 -0.234 0.000 1.326 207 M CA -0.384 54.829 55.300 -0.144 0.000 1.126 207 M CB -0.295 32.210 32.600 -0.159 0.000 1.606 207 M HN 0.724 8.965 8.290 -0.081 0.000 0.462 208 T N 5.618 120.063 114.554 -0.182 0.000 2.888 208 T HA 0.453 4.848 4.350 -0.201 -0.165 0.284 208 T C -1.419 173.173 174.700 -0.180 0.000 1.017 208 T CA -0.659 61.338 62.100 -0.173 0.000 1.022 208 T CB 2.275 71.084 68.868 -0.099 0.000 1.013 208 T HN 1.035 9.089 8.240 -0.135 0.105 0.465 209 L N 5.511 126.632 121.223 -0.171 0.000 2.342 209 L HA 0.106 4.466 4.340 -0.136 -0.101 0.285 209 L C -0.673 176.163 176.870 -0.057 0.000 1.095 209 L CA -0.044 54.722 54.840 -0.123 0.000 0.843 209 L CB -0.015 41.984 42.059 -0.100 0.000 1.201 209 L HN 0.368 8.499 8.230 -0.165 0.000 0.445 210 T N 6.542 121.064 114.554 -0.053 0.000 3.031 210 T HA 0.202 4.549 4.350 -0.005 0.000 0.254 210 T C 0.020 174.722 174.700 0.004 0.000 1.060 210 T CA 2.670 64.754 62.100 -0.027 0.000 1.135 210 T CB 1.340 70.175 68.868 -0.055 0.000 0.896 210 T HN 0.496 8.693 8.240 -0.073 0.000 0.472 211 G N -1.826 106.972 108.800 -0.003 0.000 2.694 211 G HA2 0.671 4.930 3.960 0.122 0.000 0.290 211 G HA3 0.671 4.673 3.960 0.070 0.000 0.290 211 G C -3.340 171.667 174.900 0.177 0.000 1.386 211 G CA -0.738 44.418 45.100 0.093 0.000 0.872 211 G HN -0.541 7.728 8.290 -0.034 0.000 0.475 212 I N -0.962 119.753 120.570 0.241 0.000 2.465 212 I HA 0.539 5.009 4.170 0.186 -0.188 0.291 212 I C -0.297 175.940 176.117 0.199 0.000 1.014 212 I CA -1.367 60.041 61.300 0.181 0.000 1.093 212 I CB 3.795 41.827 38.000 0.054 0.000 1.267 212 I HN -0.431 8.011 8.210 0.246 -0.084 0.431 213 V N 7.153 127.160 119.914 0.155 0.000 2.557 213 V HA -0.269 3.460 4.120 -0.651 0.000 0.301 213 V C -1.093 174.934 176.094 -0.111 0.000 1.026 213 V CA 2.220 64.435 62.300 -0.142 0.000 1.137 213 V CB -0.880 30.942 31.823 -0.001 0.000 0.917 213 V HN 0.660 8.859 8.190 0.195 0.108 0.484 214 S N 7.497 123.089 115.700 -0.180 0.000 3.249 214 S HA 0.402 5.076 4.470 0.206 -0.080 0.237 214 S C -1.348 173.448 174.600 0.326 0.000 1.007 214 S CA 0.492 58.774 58.200 0.136 0.000 0.811 214 S CB 2.103 65.405 63.200 0.169 0.000 0.832 214 S HN -0.138 7.875 8.310 -0.495 0.000 0.573 215 W N -3.185 118.081 121.300 -0.057 0.000 2.874 215 W HA 0.278 4.933 4.660 -0.008 0.000 0.403 215 W C -2.645 173.801 176.519 -0.123 0.000 1.144 215 W CA -1.202 56.113 57.345 -0.051 0.000 1.175 215 W CB 0.988 30.412 29.460 -0.060 0.000 1.483 215 W HN -0.493 7.445 8.180 -0.403 0.000 0.591 216 G N -3.267 105.666 108.800 0.222 0.000 2.411 216 G HA2 0.127 4.021 3.960 -0.109 0.000 0.295 216 G HA3 0.127 4.105 3.960 0.030 0.000 0.295 216 G C -2.460 172.586 174.900 0.243 0.000 1.542 216 G CA 0.366 45.519 45.100 0.088 0.000 0.814 216 G HN -0.144 8.392 8.290 0.409 0.000 0.557 220 c N 0.539 119.182 118.600 0.072 0.000 2.535 220 c HA 0.166 4.788 4.570 0.086 0.000 0.319 220 c C -0.181 173.955 174.090 0.076 0.000 1.171 220 c CA -0.738 55.637 56.329 0.078 0.000 1.394 220 c CB 1.630 44.184 42.510 0.073 0.000 1.990 220 c HN 0.256 8.523 8.230 0.061 0.000 0.466 221 A N 3.350 126.230 122.820 0.100 0.000 2.745 221 A HA -0.393 4.038 4.320 0.185 0.000 0.296 221 A C -1.641 176.016 177.584 0.122 0.000 1.500 221 A CA 1.004 53.121 52.037 0.133 0.000 0.766 221 A CB -1.521 17.536 19.000 0.095 0.000 1.030 221 A HN 0.581 9.117 8.150 0.106 -0.323 0.489 222 L N -2.678 118.591 121.223 0.075 0.000 2.664 222 L HA -0.053 4.253 4.340 -0.056 0.000 0.166 222 L C 1.024 177.727 176.870 -0.279 0.000 1.824 222 L CA -0.744 54.058 54.840 -0.064 0.000 3.021 222 L CB 0.530 42.541 42.059 -0.080 0.000 2.992 222 L HN -0.544 7.735 8.230 0.095 0.008 0.755 223 D N -4.427 114.559 120.400 -2.355 0.000 3.057 223 D HA -0.360 2.864 4.640 -2.360 0.000 0.206 223 D C -1.107 174.345 176.300 -1.415 0.000 1.152 223 D CA 2.001 54.831 54.000 -1.950 0.000 0.654 223 D CB -1.464 38.530 40.800 -1.343 0.000 1.069 223 D HN 0.224 6.054 8.370 -4.232 0.000 0.403 224 K N -3.347 116.517 120.400 -0.893 0.000 2.687 224 K HA 0.541 4.358 4.320 -0.838 0.000 0.197 224 K C -2.501 174.092 176.600 -0.011 0.000 1.049 224 K CA -4.010 51.995 56.287 -0.471 0.000 1.030 224 K CB 0.255 32.623 32.500 -0.219 0.000 1.261 224 K HN -0.532 7.134 8.250 -0.974 0.000 0.565 225 P HA -0.066 4.563 4.420 0.349 0.000 0.274 225 P C -1.147 176.285 177.300 0.219 0.000 1.260 225 P CA -0.404 62.861 63.100 0.275 0.000 0.793 225 P CB 1.095 32.954 31.700 0.264 0.000 1.048 226 G N -2.632 106.260 108.800 0.154 0.000 2.389 226 G HA2 0.572 4.462 3.960 -0.117 0.000 0.317 226 G HA3 0.572 4.541 3.960 0.015 0.000 0.317 226 G C -2.085 172.725 174.900 -0.150 0.000 1.137 226 G CA -1.063 44.017 45.100 -0.034 0.000 0.870 226 G HN -0.245 8.165 8.290 0.200 0.000 0.496 227 V N 2.813 122.351 119.914 -0.626 0.000 2.513 227 V HA 0.767 4.933 4.120 -0.210 -0.173 0.299 227 V C -1.008 174.702 176.094 -0.640 0.000 1.035 227 V CA -1.211 60.698 62.300 -0.651 0.000 0.889 227 V CB 2.192 33.070 31.823 -1.575 0.000 0.988 227 V HN 0.428 8.148 8.190 -0.783 0.000 0.440 228 Y N 4.781 124.971 120.300 -0.183 0.000 2.524 228 Y HA 0.632 5.291 4.550 -0.049 -0.139 0.344 228 Y C 0.346 176.249 175.900 0.005 0.000 1.012 228 Y CA -2.256 55.807 58.100 -0.062 0.000 1.068 228 Y CB 3.572 42.011 38.460 -0.034 0.000 1.249 228 Y HN 1.102 9.383 8.280 0.180 0.107 0.468 229 T N 3.697 118.351 114.554 0.166 0.000 2.901 229 T HA -0.049 4.415 4.350 0.190 0.000 0.301 229 T C -0.670 174.160 174.700 0.217 0.000 1.012 229 T CA 1.918 64.112 62.100 0.157 0.000 1.135 229 T CB 0.530 69.394 68.868 -0.006 0.000 0.936 229 T HN 0.334 8.660 8.240 0.142 0.000 0.539 230 R N 8.051 128.720 120.500 0.281 0.000 2.608 230 R HA 0.113 4.540 4.340 0.145 0.000 0.277 230 R C 0.996 177.491 176.300 0.326 0.000 1.341 230 R CA -0.796 55.419 56.100 0.190 0.000 1.199 230 R CB -0.538 29.753 30.300 -0.016 0.000 1.156 230 R HN 0.214 8.606 8.270 0.346 0.085 0.558 231 V N 7.518 127.597 119.914 0.275 0.000 2.278 231 V HA -0.612 3.756 4.120 0.414 0.000 0.251 231 V C 1.335 177.559 176.094 0.216 0.000 1.062 231 V CA 4.233 66.703 62.300 0.283 0.000 1.038 231 V CB -0.195 31.708 31.823 0.133 0.000 0.646 231 V HN 0.037 8.342 8.190 0.192 0.000 0.447 232 S N -0.570 115.209 115.700 0.132 0.000 2.440 232 S HA -0.367 4.080 4.470 -0.039 0.000 0.240 232 S C 1.324 175.776 174.600 -0.247 0.000 1.014 232 S CA 3.335 61.541 58.200 0.010 0.000 0.980 232 S CB -0.272 62.986 63.200 0.097 0.000 0.775 232 S HN 0.338 8.732 8.310 0.141 0.000 0.499 233 H N -0.095 118.754 119.070 -0.368 0.000 2.539 233 H HA 0.085 3.971 4.556 -1.117 0.000 0.269 233 H C 0.127 174.990 175.328 -0.775 0.000 0.980 233 H CA 1.599 57.233 56.048 -0.690 0.000 1.152 233 H CB 0.145 29.610 29.762 -0.496 0.000 1.407 233 H HN -0.235 7.967 8.280 0.163 0.176 0.564 234 F N -3.242 116.697 119.950 -0.019 0.000 2.682 234 F HA 0.059 4.658 4.527 0.121 0.000 0.308 234 F C 0.400 176.280 175.800 0.133 0.000 1.093 234 F CA 0.811 58.865 58.000 0.091 0.000 1.244 234 F CB 1.176 40.240 39.000 0.108 0.000 1.052 234 F HN -0.082 8.070 8.300 0.064 0.187 0.573 235 L N 1.154 122.442 121.223 0.108 0.000 2.034 235 L HA -0.346 4.055 4.340 0.102 0.000 0.217 235 L C -0.832 176.093 176.870 0.092 0.000 1.077 235 L CA 5.429 60.307 54.840 0.064 0.000 0.769 235 L CB -3.396 38.626 42.059 -0.061 0.000 0.890 235 L HN -0.491 7.721 8.230 -0.029 0.000 0.435 236 P HA -0.199 4.250 4.420 0.048 0.000 0.215 236 P C 1.399 178.800 177.300 0.170 0.000 1.157 236 P CA 3.200 66.363 63.100 0.104 0.000 0.868 236 P CB -0.532 31.235 31.700 0.112 0.000 0.788 237 W N -1.104 120.277 121.300 0.135 0.000 2.333 237 W HA -0.257 4.524 4.660 0.202 0.000 0.316 237 W C 2.234 178.878 176.519 0.207 0.000 1.215 237 W CA 3.847 61.327 57.345 0.226 0.000 1.278 237 W CB -0.269 29.428 29.460 0.395 0.000 1.154 237 W HN -0.618 7.832 8.180 0.450 0.000 0.486 238 I N -0.536 120.179 120.570 0.242 0.000 2.127 238 I HA -0.731 3.208 4.170 -0.384 0.000 0.241 238 I C 2.218 178.198 176.117 -0.229 0.000 1.075 238 I CA 4.698 65.939 61.300 -0.098 0.000 1.334 238 I CB -0.437 37.593 38.000 0.050 0.000 1.040 238 I HN 0.086 8.592 8.210 0.495 0.000 0.405 239 R N -0.595 119.833 120.500 -0.121 0.000 2.097 239 R HA -0.410 3.819 4.340 -0.185 0.000 0.236 239 R C 2.771 178.934 176.300 -0.229 0.000 1.135 239 R CA 3.525 59.531 56.100 -0.158 0.000 0.934 239 R CB -0.142 30.108 30.300 -0.083 0.000 0.846 239 R HN 0.201 8.456 8.270 -0.025 0.000 0.431 240 S N -2.511 113.046 115.700 -0.239 0.000 2.488 240 S HA -0.125 4.178 4.470 -0.278 0.000 0.246 240 S C 0.781 175.007 174.600 -0.624 0.000 0.992 240 S CA 2.408 60.379 58.200 -0.381 0.000 0.963 240 S CB -0.394 62.574 63.200 -0.386 0.000 0.754 240 S HN 0.050 8.267 8.310 -0.155 0.000 0.519 241 H N -1.306 117.470 119.070 -0.490 0.000 2.788 241 H HA 0.244 4.578 4.556 -0.370 0.000 0.262 241 H C -0.229 174.701 175.328 -0.663 0.000 0.968 241 H CA 0.880 56.596 56.048 -0.553 0.000 1.218 241 H CB 1.789 31.082 29.762 -0.782 0.000 1.443 241 H HN -0.163 7.675 8.280 -0.411 0.195 0.478 242 T N 2.686 116.842 114.554 -0.662 0.000 2.909 242 T HA 0.092 3.658 4.350 -1.306 0.000 0.286 242 T C -1.082 173.437 174.700 -0.300 0.000 1.002 242 T CA 1.333 62.923 62.100 -0.848 0.000 1.074 242 T CB 0.842 69.138 68.868 -0.953 0.000 0.984 242 T HN -0.278 7.637 8.240 -0.541 0.000 0.495 243 K N 1.972 122.338 120.400 -0.057 0.000 2.579 243 K HA 0.092 4.394 4.320 -0.030 0.000 0.284 243 K C -0.978 175.697 176.600 0.124 0.000 0.990 243 K CA -0.902 55.403 56.287 0.030 0.000 0.880 243 K CB 2.302 34.828 32.500 0.045 0.000 1.488 243 K HN -0.110 8.213 8.250 0.122 0.000 0.425 244 E N 1.558 121.800 120.200 0.070 0.000 4.205 244 E HA -0.423 3.953 4.350 0.042 0.000 0.218 244 E C -0.737 175.917 176.600 0.091 0.000 1.537 244 E CA 1.546 57.986 56.400 0.067 0.000 2.546 244 E CB -0.655 29.080 29.700 0.060 0.000 2.138 244 E HN 0.209 8.590 8.360 0.035 0.000 0.423 245 E N 0.000 120.240 120.200 0.067 0.000 2.725 245 E HA 0.000 4.397 4.350 0.079 0.000 0.291 245 E CA 0.000 56.436 56.400 0.061 0.000 0.976 245 E CB 0.000 29.724 29.700 0.040 0.000 0.812 245 E HN 0.000 8.391 8.360 0.051 0.000 0.440