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 1n4c_1_A DATA FIRST_RESID 1 DATA SEQUENCE GPLGSPEFSM PHSSPQNRPN YNVSFSSMPG GQNERGKAAA NLEGKQKAAD DATA SEQUENCE FEDLLSGQGF NAHKDKKGPR TIAEMRKEEM AKEMDPEKLK ILEWIEGKER DATA SEQUENCE NIRALLSTMH TVLWAGETKW KPVGMADLVT PEQVKKVYRK AVLVVHPDKA DATA SEQUENCE TGQPYEQYAK MIFMELNDAW SEFENQGQKP LY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.970 3.960 0.016 0.000 0.244 1 G C 0.000 174.905 174.900 0.009 0.000 0.946 1 G CA 0.000 45.108 45.100 0.013 0.000 0.502 2 P HA -0.050 4.373 4.420 0.006 0.000 0.225 2 P C -0.713 176.589 177.300 0.005 0.000 1.141 2 P CA 1.040 64.144 63.100 0.006 0.000 0.774 2 P CB 0.321 32.024 31.700 0.006 0.000 0.760 3 L N -6.489 114.736 121.223 0.004 0.000 3.160 3 L HA 0.127 4.468 4.340 0.002 0.000 0.335 3 L C 0.442 177.313 176.870 0.001 0.000 1.008 3 L CA 0.643 55.485 54.840 0.002 0.000 1.459 3 L CB 0.402 42.462 42.059 0.002 0.000 2.451 3 L HN -0.638 7.481 8.230 0.006 0.114 0.588 4 G N 1.077 109.879 108.800 0.003 0.000 2.467 4 G HA2 -0.067 3.893 3.960 0.000 0.000 0.243 4 G HA3 -0.067 3.896 3.960 0.004 0.000 0.243 4 G C -0.951 173.948 174.900 -0.001 0.000 1.521 4 G CA 0.257 45.358 45.100 0.002 0.000 1.055 4 G HN -0.273 8.020 8.290 0.005 0.000 0.553 5 S N -0.409 115.289 115.700 -0.003 0.000 2.835 5 S HA 0.108 4.574 4.470 -0.006 0.000 0.140 5 S C -2.180 172.411 174.600 -0.014 0.000 1.131 5 S CA -1.518 56.677 58.200 -0.009 0.000 1.110 5 S CB -0.134 63.057 63.200 -0.016 0.000 1.683 5 S HN 0.018 8.328 8.310 -0.001 0.000 0.473 6 P HA 0.006 4.433 4.420 0.013 0.000 0.267 6 P C -0.901 176.375 177.300 -0.040 0.000 1.195 6 P CA 0.042 63.146 63.100 0.007 0.000 0.773 6 P CB 0.908 32.634 31.700 0.043 0.000 0.837 7 E N -0.216 119.928 120.200 -0.093 0.000 2.011 7 E HA -0.128 4.082 4.350 -0.233 0.000 0.191 7 E C 0.780 177.182 176.600 -0.330 0.000 0.980 7 E CA 1.221 57.443 56.400 -0.298 0.000 0.814 7 E CB 0.185 29.556 29.700 -0.547 0.000 0.775 7 E HN 0.100 8.438 8.360 -0.038 0.000 0.454 8 F N 1.059 121.010 119.950 0.001 0.000 2.512 8 F HA 0.032 4.555 4.527 -0.006 0.000 0.350 8 F C 0.153 175.955 175.800 0.003 0.000 1.212 8 F CA 0.153 58.153 58.000 -0.000 0.000 1.099 8 F CB -0.566 38.435 39.000 0.002 0.000 1.238 8 F HN -0.292 7.899 8.300 -0.182 0.000 0.600 9 S N 3.717 119.479 115.700 0.103 0.000 2.345 9 S HA -0.234 4.275 4.470 0.064 0.000 0.220 9 S C 0.429 175.082 174.600 0.088 0.000 1.031 9 S CA 1.451 59.694 58.200 0.072 0.000 0.996 9 S CB 0.341 63.560 63.200 0.032 0.000 0.882 9 S HN -0.035 8.305 8.310 0.050 0.000 0.445 10 M N 0.460 120.114 119.600 0.090 0.000 2.247 10 M HA -0.038 4.475 4.480 0.055 0.000 0.318 10 M C -1.147 175.205 176.300 0.086 0.000 1.054 10 M CA -0.332 55.011 55.300 0.073 0.000 1.117 10 M CB 0.359 32.994 32.600 0.058 0.000 1.515 10 M HN -0.271 8.074 8.290 0.092 0.000 0.442 11 P HA -0.062 4.409 4.420 0.086 0.000 0.213 11 P C -0.343 177.042 177.300 0.143 0.000 1.169 11 P CA 1.297 64.451 63.100 0.091 0.000 0.885 11 P CB 0.692 32.437 31.700 0.075 0.000 0.779 12 H N -2.440 116.629 119.070 -0.003 0.000 3.212 12 H HA 0.259 4.790 4.556 -0.042 0.000 0.214 12 H C -2.085 173.234 175.328 -0.015 0.000 1.287 12 H CA -0.002 56.031 56.048 -0.024 0.000 1.391 12 H CB -0.456 29.288 29.762 -0.030 0.000 2.270 12 H HN -0.458 7.887 8.280 0.109 0.000 0.582 13 S N 1.850 117.476 115.700 -0.123 0.000 2.605 13 S HA 0.324 4.717 4.470 -0.128 0.000 0.279 13 S C -2.076 172.478 174.600 -0.076 0.000 1.166 13 S CA -0.271 57.875 58.200 -0.090 0.000 0.975 13 S CB 1.182 64.376 63.200 -0.009 0.000 1.111 13 S HN 0.133 8.385 8.310 -0.097 0.000 0.465 14 S N 4.719 120.367 115.700 -0.086 0.000 2.835 14 S HA 0.269 4.723 4.470 -0.027 0.000 0.140 14 S C -2.589 171.983 174.600 -0.046 0.000 1.131 14 S CA -0.182 57.988 58.200 -0.049 0.000 1.110 14 S CB 0.369 63.545 63.200 -0.039 0.000 1.683 14 S HN 0.103 8.348 8.310 -0.108 0.000 0.473 15 P HA 0.073 4.472 4.420 -0.034 0.000 0.255 15 P C -1.636 175.649 177.300 -0.025 0.000 1.173 15 P CA 0.313 63.395 63.100 -0.029 0.000 0.780 15 P CB 0.463 32.151 31.700 -0.019 0.000 0.758 16 Q N 3.331 123.114 119.800 -0.028 0.000 2.312 16 Q HA -0.010 4.318 4.340 -0.021 0.000 0.236 16 Q C 0.520 176.505 176.000 -0.025 0.000 0.965 16 Q CA -0.702 55.086 55.803 -0.025 0.000 0.894 16 Q CB 0.218 28.939 28.738 -0.029 0.000 1.225 16 Q HN -0.087 8.163 8.270 -0.033 0.000 0.478 17 N N 0.751 119.436 118.700 -0.026 0.000 2.173 17 N HA -0.034 4.692 4.740 -0.023 0.000 0.195 17 N C 0.278 175.766 175.510 -0.037 0.000 1.049 17 N CA 0.775 53.809 53.050 -0.027 0.000 0.977 17 N CB 0.407 38.878 38.487 -0.025 0.000 1.163 17 N HN 0.267 8.632 8.380 -0.025 0.000 0.505 18 R N -0.569 119.902 120.500 -0.048 0.000 2.734 18 R HA 0.319 4.617 4.340 -0.071 0.000 0.242 18 R C -2.749 173.489 176.300 -0.102 0.000 1.617 18 R CA -1.383 54.674 56.100 -0.071 0.000 1.572 18 R CB 0.326 30.590 30.300 -0.061 0.000 1.477 18 R HN -0.019 8.224 8.270 -0.045 0.000 0.707 19 P HA -0.113 4.254 4.420 -0.089 0.000 0.260 19 P C -1.113 176.057 177.300 -0.217 0.000 1.172 19 P CA 0.045 63.074 63.100 -0.119 0.000 0.760 19 P CB 0.397 32.042 31.700 -0.092 0.000 0.773 20 N N 2.301 120.881 118.700 -0.200 0.000 2.327 20 N HA -0.139 4.291 4.740 -0.517 0.000 0.257 20 N C 0.027 175.333 175.510 -0.341 0.000 1.281 20 N CA -0.137 52.722 53.050 -0.319 0.000 0.942 20 N CB 0.566 38.984 38.487 -0.116 0.000 1.199 20 N HN -0.148 8.158 8.380 -0.123 0.000 0.532 21 Y N -3.228 117.079 120.300 0.011 0.000 2.138 21 Y HA -0.171 4.381 4.550 0.004 0.000 0.286 21 Y C 0.298 176.203 175.900 0.008 0.000 1.115 21 Y CA 1.698 59.803 58.100 0.008 0.000 1.105 21 Y CB -0.022 38.445 38.460 0.012 0.000 1.004 21 Y HN 0.103 8.203 8.280 -0.301 0.000 0.494 22 N N -2.736 116.086 118.700 0.203 0.000 3.387 22 N HA -0.016 4.770 4.740 0.077 0.000 0.294 22 N C -1.566 174.015 175.510 0.118 0.000 1.519 22 N CA -0.609 52.511 53.050 0.117 0.000 0.875 22 N CB 1.515 40.060 38.487 0.096 0.000 1.657 22 N HN -0.598 7.947 8.380 0.275 0.000 0.527 23 V N -4.432 115.547 119.914 0.109 0.000 3.641 23 V HA 0.225 4.398 4.120 0.088 0.000 0.286 23 V C 0.140 176.316 176.094 0.137 0.000 1.027 23 V CA -0.692 61.673 62.300 0.108 0.000 1.032 23 V CB 0.514 32.397 31.823 0.100 0.000 1.238 23 V HN 0.065 8.314 8.190 0.099 0.000 0.439 24 S N -0.838 114.926 115.700 0.107 0.000 4.117 24 S HA -0.117 4.413 4.470 0.099 0.000 0.191 24 S C -0.628 174.035 174.600 0.105 0.000 1.308 24 S CA 0.419 58.674 58.200 0.091 0.000 0.906 24 S CB -1.207 62.021 63.200 0.045 0.000 1.565 24 S HN 0.036 8.397 8.310 0.084 0.000 0.439 25 F N 5.346 125.308 119.950 0.020 0.000 2.074 25 F HA -0.090 4.446 4.527 0.014 0.000 0.293 25 F C -0.313 175.493 175.800 0.009 0.000 1.116 25 F CA 1.767 59.776 58.000 0.015 0.000 1.212 25 F CB 1.255 40.264 39.000 0.016 0.000 0.998 25 F HN 0.066 8.488 8.300 0.292 0.052 0.471 26 S N -2.351 113.426 115.700 0.128 0.000 2.787 26 S HA 0.103 4.502 4.470 -0.117 0.000 0.140 26 S C -1.614 173.030 174.600 0.073 0.000 1.240 26 S CA 0.070 58.266 58.200 -0.007 0.000 1.163 26 S CB 0.107 63.299 63.200 -0.012 0.000 1.652 26 S HN -0.146 8.368 8.310 0.341 0.000 0.443 27 S N 2.591 118.318 115.700 0.046 0.000 2.563 27 S HA 0.231 4.712 4.470 0.019 0.000 0.279 27 S C -1.188 173.422 174.600 0.017 0.000 1.155 27 S CA -0.279 57.940 58.200 0.030 0.000 0.928 27 S CB 0.866 64.085 63.200 0.033 0.000 1.107 27 S HN -0.447 7.882 8.310 0.032 0.000 0.462 28 M N 4.374 123.977 119.600 0.005 0.000 2.228 28 M HA 0.391 4.875 4.480 0.007 0.000 0.326 28 M C -0.614 175.693 176.300 0.011 0.000 1.122 28 M CA -2.493 52.810 55.300 0.005 0.000 1.161 28 M CB -1.097 31.502 32.600 -0.002 0.000 1.437 28 M HN -0.044 8.246 8.290 0.000 0.000 0.465 29 P HA -0.005 4.438 4.420 0.038 0.000 0.214 29 P C -0.573 176.739 177.300 0.019 0.000 1.162 29 P CA 0.578 63.694 63.100 0.026 0.000 0.871 29 P CB 0.603 32.320 31.700 0.027 0.000 0.783 30 G N -1.410 107.397 108.800 0.012 0.000 1.980 30 G HA2 0.045 4.008 3.960 0.005 0.000 0.298 30 G HA3 0.045 4.012 3.960 0.011 0.000 0.298 30 G C -0.953 173.948 174.900 0.002 0.000 1.505 30 G CA 0.144 45.248 45.100 0.007 0.000 1.158 30 G HN -0.417 7.879 8.290 0.010 0.000 0.557 31 G N 0.975 109.774 108.800 -0.002 0.000 2.856 31 G HA2 -0.310 3.645 3.960 -0.008 0.000 0.674 31 G HA3 -0.310 3.647 3.960 -0.005 0.000 0.674 31 G C -0.957 173.940 174.900 -0.005 0.000 1.519 31 G CA -0.583 44.514 45.100 -0.005 0.000 0.940 31 G HN -0.047 8.241 8.290 -0.004 0.000 0.564 32 Q N 0.381 120.177 119.800 -0.007 0.000 2.373 32 Q HA -0.154 4.182 4.340 -0.006 0.000 0.255 32 Q C -0.181 175.816 176.000 -0.005 0.000 0.980 32 Q CA -0.338 55.461 55.803 -0.007 0.000 0.882 32 Q CB 1.074 29.806 28.738 -0.009 0.000 1.249 32 Q HN 0.180 8.445 8.270 -0.009 0.000 0.438 33 N N 3.035 121.732 118.700 -0.004 0.000 2.081 33 N HA -0.135 4.604 4.740 -0.002 0.000 0.191 33 N C 0.581 176.088 175.510 -0.004 0.000 1.053 33 N CA 1.796 54.845 53.050 -0.003 0.000 0.846 33 N CB 0.018 38.504 38.487 -0.002 0.000 1.032 33 N HN 0.219 8.596 8.380 -0.005 0.000 0.431 34 E N 0.214 120.411 120.200 -0.005 0.000 2.214 34 E HA -0.146 4.201 4.350 -0.005 0.000 0.291 34 E C -0.335 176.261 176.600 -0.007 0.000 1.137 34 E CA 0.436 56.833 56.400 -0.006 0.000 1.175 34 E CB -2.274 27.422 29.700 -0.006 0.000 1.071 34 E HN 0.267 8.624 8.360 -0.006 0.000 0.467 35 R N 3.403 123.899 120.500 -0.007 0.000 2.056 35 R HA -0.097 4.238 4.340 -0.009 0.000 0.227 35 R C 0.513 176.808 176.300 -0.008 0.000 1.149 35 R CA 1.706 57.801 56.100 -0.008 0.000 0.937 35 R CB 0.738 31.034 30.300 -0.007 0.000 0.835 35 R HN 0.413 8.648 8.270 -0.006 0.032 0.430 36 G N -4.193 104.603 108.800 -0.007 0.000 2.634 36 G HA2 0.168 4.124 3.960 -0.008 0.000 0.309 36 G HA3 0.168 4.124 3.960 -0.008 0.000 0.309 36 G C -1.524 173.372 174.900 -0.006 0.000 1.299 36 G CA -0.274 44.821 45.100 -0.007 0.000 0.798 36 G HN -0.306 7.980 8.290 -0.006 0.000 0.490 37 K N -1.571 118.826 120.400 -0.006 0.000 2.062 37 K HA -0.063 4.254 4.320 -0.005 0.000 0.205 37 K C 1.088 177.685 176.600 -0.004 0.000 1.051 37 K CA 0.404 56.688 56.287 -0.005 0.000 0.941 37 K CB 0.237 32.734 32.500 -0.005 0.000 0.719 37 K HN -0.059 8.187 8.250 -0.007 0.000 0.440 38 A N 0.659 123.476 122.820 -0.005 0.000 2.770 38 A HA 0.047 4.364 4.320 -0.004 0.000 0.292 38 A C -0.270 177.311 177.584 -0.004 0.000 1.604 38 A CA -0.140 51.895 52.037 -0.004 0.000 1.271 38 A CB -1.140 17.857 19.000 -0.005 0.000 1.075 38 A HN -0.043 8.104 8.150 -0.005 0.000 0.573 39 A N 2.730 125.548 122.820 -0.003 0.000 2.235 39 A HA -0.091 4.227 4.320 -0.003 0.000 0.208 39 A C 0.312 177.895 177.584 -0.002 0.000 1.172 39 A CA 0.252 52.287 52.037 -0.002 0.000 0.786 39 A CB 0.034 19.033 19.000 -0.002 0.000 0.804 39 A HN 0.164 8.300 8.150 -0.003 0.012 0.479 40 A N -0.257 122.562 122.820 -0.002 0.000 2.981 40 A HA -0.027 4.293 4.320 -0.000 0.000 0.280 40 A C -0.535 177.049 177.584 -0.001 0.000 1.797 40 A CA -0.346 51.691 52.037 -0.001 0.000 1.456 40 A CB -2.134 16.865 19.000 -0.001 0.000 1.057 40 A HN -0.147 7.905 8.150 -0.002 0.097 0.602 41 N N 1.410 120.110 118.700 -0.000 0.000 2.482 41 N HA -0.113 4.626 4.740 -0.001 0.000 0.260 41 N C -0.328 175.183 175.510 0.001 0.000 1.236 41 N CA 0.242 53.292 53.050 -0.000 0.000 0.938 41 N CB 1.048 39.535 38.487 0.000 0.000 1.128 41 N HN -0.135 8.214 8.380 -0.000 0.030 0.448 42 L N 3.603 124.826 121.223 0.001 0.000 1.382 42 L HA 0.078 4.420 4.340 0.002 0.000 0.119 42 L C -0.855 176.016 176.870 0.002 0.000 1.393 42 L CA 0.782 55.623 54.840 0.002 0.000 1.170 42 L CB 0.679 42.739 42.059 0.001 0.000 2.429 42 L HN 0.218 8.448 8.230 -0.000 0.000 0.470 43 E N 0.887 121.088 120.200 0.001 0.000 2.570 43 E HA -0.128 4.224 4.350 0.003 0.000 0.263 43 E C -0.021 176.580 176.600 0.002 0.000 1.390 43 E CA 0.378 56.779 56.400 0.002 0.000 1.115 43 E CB 0.477 30.177 29.700 -0.000 0.000 0.970 43 E HN -0.112 8.248 8.360 0.000 0.000 0.545 44 G N -3.231 105.571 108.800 0.002 0.000 2.702 44 G HA2 -0.029 3.932 3.960 0.001 0.000 0.296 44 G HA3 -0.029 3.934 3.960 0.005 0.000 0.296 44 G C -1.970 172.932 174.900 0.003 0.000 1.463 44 G CA -0.662 44.440 45.100 0.003 0.000 0.890 44 G HN -0.183 8.109 8.290 0.003 0.000 0.534 45 K N 1.583 121.984 120.400 0.001 0.000 2.395 45 K HA -0.147 4.171 4.320 -0.003 0.000 0.283 45 K C 0.187 176.792 176.600 0.007 0.000 1.068 45 K CA 0.329 56.616 56.287 0.000 0.000 1.039 45 K CB -0.043 32.455 32.500 -0.003 0.000 0.924 45 K HN 0.110 8.361 8.250 0.000 0.000 0.468 46 Q N 3.789 123.596 119.800 0.012 0.000 2.370 46 Q HA 0.018 4.368 4.340 0.017 0.000 0.186 46 Q C -0.089 175.926 176.000 0.026 0.000 1.093 46 Q CA -0.427 55.388 55.803 0.019 0.000 1.142 46 Q CB 0.882 29.634 28.738 0.024 0.000 1.175 46 Q HN 0.114 8.390 8.270 0.009 0.000 0.625 47 K N 0.163 120.582 120.400 0.032 0.000 2.228 47 K HA -0.089 4.252 4.320 0.035 0.000 0.284 47 K C 0.278 176.916 176.600 0.063 0.000 1.088 47 K CA -0.073 56.238 56.287 0.040 0.000 0.941 47 K CB -0.577 31.944 32.500 0.035 0.000 1.158 47 K HN 0.271 8.539 8.250 0.030 0.000 0.438 48 A N 8.380 131.242 122.820 0.070 0.000 2.426 48 A HA 0.098 4.513 4.320 0.158 0.000 0.247 48 A C -1.014 176.674 177.584 0.174 0.000 1.389 48 A CA -0.333 51.781 52.037 0.127 0.000 1.129 48 A CB -1.016 18.025 19.000 0.068 0.000 0.928 48 A HN 0.550 8.729 8.150 0.049 0.000 0.557 49 A N -1.226 121.663 122.820 0.116 0.000 2.264 49 A HA -0.131 4.246 4.320 0.095 0.000 0.207 49 A C -0.277 177.357 177.584 0.084 0.000 1.196 49 A CA 0.795 52.887 52.037 0.091 0.000 0.778 49 A CB -0.137 18.894 19.000 0.051 0.000 0.779 49 A HN -0.501 7.572 8.150 0.089 0.129 0.483 50 D N -2.832 117.651 120.400 0.139 0.000 2.434 50 D HA -0.034 4.535 4.640 -0.119 0.000 0.232 50 D C -0.687 175.378 176.300 -0.391 0.000 1.166 50 D CA 0.793 54.749 54.000 -0.074 0.000 0.830 50 D CB -0.889 39.870 40.800 -0.068 0.000 0.960 50 D HN 0.068 8.444 8.370 0.241 0.138 0.497 51 F N -1.129 118.823 119.950 0.004 0.000 2.706 51 F HA 0.169 4.698 4.527 0.003 0.000 0.365 51 F C -1.038 174.764 175.800 0.003 0.000 1.469 51 F CA 0.276 58.277 58.000 0.003 0.000 1.110 51 F CB 0.711 39.712 39.000 0.001 0.000 1.893 51 F HN -0.703 7.606 8.300 0.190 0.105 0.573 52 E N 0.497 120.746 120.200 0.080 0.000 2.439 52 E HA -0.037 4.359 4.350 0.077 0.000 0.185 52 E C 0.616 177.231 176.600 0.026 0.000 0.959 52 E CA 0.838 57.277 56.400 0.064 0.000 1.481 52 E CB 0.722 30.461 29.700 0.065 0.000 2.277 52 E HN -0.008 8.354 8.360 0.003 0.000 0.950 53 D N 1.511 121.910 120.400 -0.003 0.000 2.371 53 D HA -0.185 4.457 4.640 0.003 0.000 0.221 53 D C 1.983 178.278 176.300 -0.007 0.000 0.986 53 D CA 1.459 55.454 54.000 -0.009 0.000 0.899 53 D CB -0.692 40.091 40.800 -0.029 0.000 0.902 53 D HN 0.281 8.638 8.370 -0.023 0.000 0.530 54 L N -0.949 120.269 121.223 -0.008 0.000 2.201 54 L HA -0.198 4.135 4.340 -0.012 0.000 0.212 54 L C -0.450 176.425 176.870 0.009 0.000 1.105 54 L CA 1.973 56.811 54.840 -0.003 0.000 0.775 54 L CB 0.052 42.114 42.059 0.004 0.000 0.913 54 L HN -0.459 7.700 8.230 -0.007 0.067 0.440 55 L N -4.196 117.039 121.223 0.019 0.000 2.718 55 L HA -0.014 4.342 4.340 0.025 0.000 0.242 55 L C 0.289 177.180 176.870 0.034 0.000 1.203 55 L CA -0.611 54.245 54.840 0.028 0.000 1.011 55 L CB -1.305 40.773 42.059 0.031 0.000 1.250 55 L HN -0.956 7.261 8.230 0.021 0.026 0.437 56 S N 0.939 116.655 115.700 0.027 0.000 4.120 56 S HA -0.033 4.456 4.470 0.032 0.000 0.196 56 S C 0.267 174.890 174.600 0.038 0.000 1.447 56 S CA -0.243 57.976 58.200 0.031 0.000 0.939 56 S CB -1.185 62.030 63.200 0.025 0.000 1.496 56 S HN -0.588 7.598 8.310 0.018 0.135 0.460 57 G N 5.871 114.700 108.800 0.048 0.000 2.546 57 G HA2 -0.214 3.770 3.960 0.039 0.000 0.285 57 G HA3 -0.214 3.769 3.960 0.038 0.000 0.285 57 G C -0.218 174.694 174.900 0.019 0.000 1.105 57 G CA 0.037 45.161 45.100 0.040 0.000 1.189 57 G HN -0.266 8.009 8.290 0.058 0.050 0.534 58 Q N -1.162 118.691 119.800 0.089 0.000 2.522 58 Q HA -0.252 4.068 4.340 -0.034 0.000 0.216 58 Q C -0.366 175.590 176.000 -0.072 0.000 0.986 58 Q CA 1.135 56.944 55.803 0.010 0.000 0.901 58 Q CB 0.506 29.245 28.738 0.002 0.000 0.954 58 Q HN 0.106 8.474 8.270 0.164 0.000 0.502 59 G N -5.034 103.718 108.800 -0.080 0.000 2.632 59 G HA2 0.078 3.627 3.960 -0.684 0.000 0.292 59 G HA3 0.078 3.996 3.960 -0.070 0.000 0.292 59 G C -1.904 172.791 174.900 -0.341 0.000 1.465 59 G CA -0.554 44.355 45.100 -0.318 0.000 0.824 59 G HN -0.727 7.460 8.290 0.009 0.109 0.509 60 F N -2.196 117.763 119.950 0.015 0.000 2.769 60 F HA 0.077 4.578 4.527 -0.044 0.000 0.304 60 F C 0.191 175.958 175.800 -0.055 0.000 1.158 60 F CA -1.491 56.493 58.000 -0.027 0.000 1.398 60 F CB -0.135 38.859 39.000 -0.010 0.000 1.094 60 F HN 0.058 7.829 8.300 -0.881 0.000 0.553 61 N N 1.008 119.710 118.700 0.004 0.000 2.185 61 N HA 0.075 4.837 4.740 0.037 0.000 0.243 61 N C -0.771 174.648 175.510 -0.151 0.000 1.276 61 N CA 0.272 53.308 53.050 -0.023 0.000 0.941 61 N CB 0.705 39.220 38.487 0.046 0.000 1.129 61 N HN -0.194 8.038 8.380 -0.051 0.118 0.417 62 A N 0.018 122.693 122.820 -0.240 0.000 2.626 62 A HA 0.253 4.395 4.320 -0.297 0.000 0.293 62 A C -2.129 175.338 177.584 -0.196 0.000 1.111 62 A CA 0.660 52.553 52.037 -0.241 0.000 0.874 62 A CB 0.386 19.340 19.000 -0.076 0.000 1.451 62 A HN 0.095 8.163 8.150 -0.137 0.000 0.396 63 H N 0.497 119.570 119.070 0.005 0.000 3.137 63 H HA 0.117 4.674 4.556 0.002 0.000 0.336 63 H C -1.899 173.429 175.328 0.000 0.000 1.055 63 H CA -0.839 55.209 56.048 0.000 0.000 1.349 63 H CB 1.350 31.109 29.762 -0.006 0.000 1.939 63 H HN -0.194 7.661 8.280 -0.709 0.000 0.487 64 K N 3.693 124.183 120.400 0.149 0.000 2.535 64 K HA 0.328 4.734 4.320 0.144 0.000 0.250 64 K C -0.725 175.918 176.600 0.071 0.000 0.948 64 K CA -0.633 55.717 56.287 0.105 0.000 0.796 64 K CB 1.974 34.505 32.500 0.051 0.000 1.216 64 K HN 0.165 8.485 8.250 0.117 0.000 0.432 65 D N 1.163 121.598 120.400 0.059 0.000 2.348 65 D HA -0.010 4.648 4.640 0.031 0.000 0.253 65 D C -0.117 176.199 176.300 0.027 0.000 1.161 65 D CA 0.270 54.291 54.000 0.034 0.000 0.876 65 D CB 0.584 41.398 40.800 0.023 0.000 1.160 65 D HN 0.077 8.488 8.370 0.067 0.000 0.459 66 K N 1.555 121.968 120.400 0.021 0.000 1.801 66 K HA 0.063 4.393 4.320 0.017 0.000 0.309 66 K C -0.829 175.779 176.600 0.013 0.000 0.932 66 K CA -0.540 55.757 56.287 0.017 0.000 0.487 66 K CB 1.168 33.678 32.500 0.017 0.000 3.409 66 K HN -0.018 8.244 8.250 0.020 0.000 1.215 67 K N 2.818 123.224 120.400 0.011 0.000 2.382 67 K HA -0.078 4.247 4.320 0.007 0.000 0.286 67 K C -0.273 176.332 176.600 0.008 0.000 1.062 67 K CA 0.459 56.751 56.287 0.008 0.000 1.000 67 K CB -0.284 32.220 32.500 0.007 0.000 0.954 67 K HN 0.131 8.388 8.250 0.012 0.000 0.470 68 G N 3.922 112.726 108.800 0.006 0.000 2.606 68 G HA2 0.265 4.228 3.960 0.004 0.000 0.300 68 G HA3 0.265 4.228 3.960 0.005 0.000 0.300 68 G C -3.218 171.684 174.900 0.002 0.000 1.360 68 G CA -0.494 44.609 45.100 0.004 0.000 0.783 68 G HN -0.236 8.057 8.290 0.006 0.000 0.484 69 P HA 0.047 4.467 4.420 -0.001 0.000 0.275 69 P C -1.189 176.111 177.300 0.000 0.000 1.262 69 P CA -0.055 63.044 63.100 -0.001 0.000 0.834 69 P CB 0.724 32.422 31.700 -0.003 0.000 1.098 70 R N -1.444 119.056 120.500 -0.000 0.000 2.734 70 R HA 0.134 4.474 4.340 0.001 0.000 0.242 70 R C -1.389 174.911 176.300 0.001 0.000 1.617 70 R CA -0.294 55.807 56.100 0.001 0.000 1.572 70 R CB 1.070 31.370 30.300 0.001 0.000 1.477 70 R HN 0.153 8.423 8.270 -0.001 0.000 0.707 71 T N -2.062 112.493 114.554 0.001 0.000 2.918 71 T HA 0.126 4.478 4.350 0.003 0.000 0.283 71 T C 1.409 176.112 174.700 0.004 0.000 1.001 71 T CA -1.690 60.412 62.100 0.002 0.000 1.041 71 T CB 1.260 70.128 68.868 0.000 0.000 1.028 71 T HN -0.418 7.822 8.240 -0.000 0.000 0.511 72 I N 1.155 121.730 120.570 0.008 0.000 3.083 72 I HA -0.337 3.838 4.170 0.008 0.000 0.273 72 I C 0.848 176.971 176.117 0.010 0.000 1.297 72 I CA 0.727 62.033 61.300 0.010 0.000 1.452 72 I CB -0.781 37.228 38.000 0.015 0.000 1.078 72 I HN 0.563 8.779 8.210 0.009 0.000 0.484 73 A N -0.766 122.059 122.820 0.007 0.000 2.119 73 A HA -0.210 4.116 4.320 0.010 0.000 0.216 73 A C 1.297 178.883 177.584 0.002 0.000 1.152 73 A CA 2.278 54.319 52.037 0.006 0.000 0.708 73 A CB -0.554 18.447 19.000 0.002 0.000 0.805 73 A HN -0.032 8.029 8.150 0.006 0.092 0.460 74 E N -1.429 118.772 120.200 0.001 0.000 2.265 74 E HA -0.270 4.078 4.350 -0.003 0.000 0.196 74 E C 0.976 177.576 176.600 0.000 0.000 0.996 74 E CA 2.302 58.701 56.400 -0.001 0.000 0.832 74 E CB -0.159 29.541 29.700 -0.000 0.000 0.756 74 E HN -0.512 7.816 8.360 0.002 0.033 0.491 75 M N -1.700 117.901 119.600 0.002 0.000 2.171 75 M HA -0.197 4.283 4.480 0.001 0.000 0.260 75 M C 2.051 178.352 176.300 0.002 0.000 1.087 75 M CA 1.765 57.066 55.300 0.001 0.000 1.154 75 M CB 0.023 32.624 32.600 0.002 0.000 1.331 75 M HN -0.721 7.527 8.290 0.003 0.045 0.431 76 R N -1.840 118.662 120.500 0.005 0.000 2.371 76 R HA -0.381 3.962 4.340 0.005 0.000 0.226 76 R C 1.741 178.043 176.300 0.003 0.000 1.132 76 R CA 2.733 58.837 56.100 0.006 0.000 1.027 76 R CB -0.872 29.436 30.300 0.013 0.000 0.848 76 R HN -0.185 8.089 8.270 0.007 0.000 0.479 77 K N -0.386 120.013 120.400 -0.000 0.000 2.286 77 K HA -0.379 3.937 4.320 -0.006 0.000 0.203 77 K C 1.761 178.358 176.600 -0.004 0.000 1.045 77 K CA 2.859 59.143 56.287 -0.005 0.000 0.935 77 K CB -0.354 32.141 32.500 -0.008 0.000 0.737 77 K HN -0.406 7.715 8.250 0.000 0.130 0.460 78 E N -1.564 118.635 120.200 -0.001 0.000 2.086 78 E HA -0.225 4.125 4.350 0.001 0.000 0.190 78 E C 1.287 177.888 176.600 0.002 0.000 0.975 78 E CA 2.426 58.826 56.400 0.001 0.000 0.813 78 E CB 0.048 29.749 29.700 0.001 0.000 0.768 78 E HN -0.288 8.014 8.360 -0.001 0.057 0.457 79 E N -0.236 119.965 120.200 0.002 0.000 2.097 79 E HA -0.330 4.022 4.350 0.004 0.000 0.196 79 E C 2.939 179.543 176.600 0.007 0.000 1.000 79 E CA 2.788 59.191 56.400 0.005 0.000 0.804 79 E CB -0.364 29.341 29.700 0.008 0.000 0.740 79 E HN -0.494 7.780 8.360 0.002 0.086 0.454 80 M N -2.136 117.466 119.600 0.004 0.000 2.159 80 M HA -0.259 4.222 4.480 0.001 0.000 0.263 80 M C 1.544 177.845 176.300 0.001 0.000 1.063 80 M CA 2.191 57.491 55.300 0.001 0.000 1.110 80 M CB -0.386 32.212 32.600 -0.004 0.000 1.374 80 M HN -0.533 7.754 8.290 0.003 0.004 0.411 81 A N -4.191 118.629 122.820 0.000 0.000 2.251 81 A HA 0.016 4.336 4.320 -0.001 0.000 0.209 81 A C 0.394 177.983 177.584 0.009 0.000 1.187 81 A CA 0.724 52.762 52.037 0.001 0.000 0.823 81 A CB -1.087 17.912 19.000 -0.003 0.000 0.846 81 A HN -0.419 7.608 8.150 -0.001 0.122 0.486 82 K N -1.582 118.825 120.400 0.011 0.000 2.288 82 K HA -0.177 4.152 4.320 0.014 0.000 0.201 82 K C -0.020 176.592 176.600 0.020 0.000 1.048 82 K CA 1.353 57.648 56.287 0.014 0.000 0.956 82 K CB 0.496 33.002 32.500 0.010 0.000 0.746 82 K HN -0.472 7.559 8.250 0.009 0.225 0.461 83 E N -2.873 117.342 120.200 0.026 0.000 2.665 83 E HA 0.060 4.429 4.350 0.032 0.000 0.396 83 E C -1.699 174.926 176.600 0.043 0.000 1.050 83 E CA 0.153 56.575 56.400 0.038 0.000 0.731 83 E CB 0.058 29.789 29.700 0.053 0.000 1.568 83 E HN -0.690 7.645 8.360 0.022 0.038 0.385 84 M N 6.617 126.235 119.600 0.031 0.000 2.915 84 M HA -0.060 4.435 4.480 0.025 0.000 0.206 84 M C -1.005 175.321 176.300 0.044 0.000 1.271 84 M CA -0.279 55.039 55.300 0.029 0.000 1.122 84 M CB -1.035 31.574 32.600 0.015 0.000 1.655 84 M HN 0.366 8.671 8.290 0.025 0.000 0.434 85 D N 2.266 122.706 120.400 0.066 0.000 2.548 85 D HA -0.088 4.589 4.640 0.062 0.000 0.231 85 D C -0.210 176.140 176.300 0.083 0.000 1.142 85 D CA -0.084 53.965 54.000 0.082 0.000 0.866 85 D CB 1.508 42.381 40.800 0.123 0.000 1.190 85 D HN -0.378 7.898 8.370 0.073 0.138 0.469 86 P HA -0.077 4.373 4.420 0.050 0.000 0.234 86 P C -0.196 177.155 177.300 0.086 0.000 1.162 86 P CA 1.497 64.634 63.100 0.062 0.000 0.759 86 P CB -0.035 31.694 31.700 0.049 0.000 0.813 87 E N -2.002 118.280 120.200 0.136 0.000 2.251 87 E HA 0.055 4.494 4.350 0.149 0.000 0.194 87 E C 1.229 177.970 176.600 0.235 0.000 0.964 87 E CA 1.079 57.603 56.400 0.207 0.000 0.868 87 E CB -0.049 29.812 29.700 0.268 0.000 0.828 87 E HN 0.624 9.471 8.360 0.144 -0.400 0.481 88 K N 0.573 121.083 120.400 0.182 0.000 2.228 88 K HA -0.171 3.938 4.320 -0.352 0.000 0.202 88 K C 1.794 178.368 176.600 -0.043 0.000 1.051 88 K CA 2.429 58.679 56.287 -0.062 0.000 0.960 88 K CB -0.024 32.463 32.500 -0.021 0.000 0.743 88 K HN -0.515 7.880 8.250 0.201 -0.024 0.458 89 L N -1.215 120.019 121.223 0.018 0.000 2.081 89 L HA -0.375 3.970 4.340 0.008 0.000 0.212 89 L C 1.114 177.996 176.870 0.020 0.000 1.080 89 L CA 2.991 57.841 54.840 0.017 0.000 0.754 89 L CB -0.163 41.912 42.059 0.027 0.000 0.893 89 L HN -0.393 7.844 8.230 0.049 0.022 0.433 90 K N -1.441 118.973 120.400 0.023 0.000 2.103 90 K HA -0.323 4.020 4.320 0.038 0.000 0.207 90 K C 2.152 178.781 176.600 0.048 0.000 1.048 90 K CA 2.775 59.080 56.287 0.029 0.000 0.930 90 K CB -0.579 31.932 32.500 0.018 0.000 0.716 90 K HN -0.677 7.577 8.250 0.033 0.015 0.444 91 I N -0.753 119.820 120.570 0.005 0.000 2.142 91 I HA -0.507 3.764 4.170 0.168 0.000 0.240 91 I C 1.489 177.707 176.117 0.168 0.000 1.078 91 I CA 3.613 64.967 61.300 0.090 0.000 1.343 91 I CB -0.177 37.787 38.000 -0.060 0.000 1.046 91 I HN -0.243 7.803 8.210 -0.054 0.132 0.405 92 L N -2.234 119.030 121.223 0.068 0.000 2.137 92 L HA -0.465 3.899 4.340 0.040 0.000 0.213 92 L C 2.670 179.571 176.870 0.051 0.000 1.085 92 L CA 3.214 58.082 54.840 0.046 0.000 0.760 92 L CB -1.161 40.908 42.059 0.016 0.000 0.893 92 L HN -0.762 7.482 8.230 0.024 0.000 0.434 93 E N -3.301 116.945 120.200 0.076 0.000 2.216 93 E HA -0.266 4.261 4.350 0.033 -0.158 0.192 93 E C 0.841 177.506 176.600 0.108 0.000 0.988 93 E CA 2.475 58.916 56.400 0.068 0.000 0.834 93 E CB -0.420 29.319 29.700 0.066 0.000 0.772 93 E HN -0.614 7.674 8.360 0.080 0.119 0.479 94 W N -0.488 120.787 121.300 -0.042 0.000 2.407 94 W HA -0.224 4.412 4.660 -0.040 0.000 0.305 94 W C 1.700 178.200 176.519 -0.032 0.000 1.196 94 W CA 2.930 60.248 57.345 -0.044 0.000 1.311 94 W CB 0.561 29.983 29.460 -0.063 0.000 1.135 94 W HN -0.544 7.670 8.180 0.296 0.144 0.514 95 I N -3.698 116.709 120.570 -0.271 0.000 2.252 95 I HA -0.505 3.075 4.170 -0.984 0.000 0.245 95 I C 2.018 177.952 176.117 -0.305 0.000 1.102 95 I CA 3.143 64.134 61.300 -0.515 0.000 1.385 95 I CB -0.609 37.239 38.000 -0.253 0.000 1.064 95 I HN -0.209 8.048 8.210 0.077 0.000 0.414 96 E N -0.758 119.349 120.200 -0.156 0.000 2.472 96 E HA -0.218 4.295 4.350 -0.109 -0.229 0.200 96 E C 1.423 177.959 176.600 -0.107 0.000 1.046 96 E CA 1.373 57.710 56.400 -0.106 0.000 0.871 96 E CB -0.904 28.764 29.700 -0.054 0.000 0.806 96 E HN -0.507 7.794 8.360 -0.099 0.000 0.533 97 G N -0.717 107.999 108.800 -0.141 0.000 2.394 97 G HA2 -0.204 3.720 3.960 -0.059 0.000 0.215 97 G HA3 -0.204 3.698 3.960 -0.097 0.000 0.215 97 G C -0.567 174.261 174.900 -0.120 0.000 1.165 97 G CA 0.771 45.809 45.100 -0.104 0.000 0.784 97 G HN -0.426 7.545 8.290 -0.191 0.204 0.535 98 K N -1.952 118.332 120.400 -0.194 0.000 2.911 98 K HA 0.107 4.362 4.320 -0.109 0.000 0.239 98 K C -1.443 175.034 176.600 -0.205 0.000 1.371 98 K CA -0.303 55.893 56.287 -0.151 0.000 0.872 98 K CB -0.535 31.906 32.500 -0.098 0.000 1.322 98 K HN -0.820 7.253 8.250 -0.296 0.000 0.527 99 E N 0.219 120.297 120.200 -0.204 0.000 2.335 99 E HA -0.183 3.991 4.350 -0.293 0.000 0.191 99 E C -1.246 175.288 176.600 -0.110 0.000 1.150 99 E CA 0.325 56.602 56.400 -0.205 0.000 1.001 99 E CB -0.744 28.851 29.700 -0.176 0.000 1.127 99 E HN 0.150 8.406 8.360 -0.173 0.000 0.462 100 R N -2.406 118.044 120.500 -0.084 0.000 2.582 100 R HA 0.166 4.494 4.340 -0.020 0.000 0.453 100 R C -1.290 175.007 176.300 -0.006 0.000 0.969 100 R CA -0.749 55.331 56.100 -0.034 0.000 1.113 100 R CB -0.182 30.099 30.300 -0.033 0.000 1.507 100 R HN -0.780 7.273 8.270 -0.101 0.157 0.587 101 N N -0.284 118.407 118.700 -0.014 0.000 2.711 101 N HA 0.169 4.944 4.740 0.058 0.000 0.263 101 N C 0.032 175.553 175.510 0.017 0.000 1.667 101 N CA -1.306 51.757 53.050 0.021 0.000 0.785 101 N CB 1.114 39.607 38.487 0.009 0.000 1.231 101 N HN -0.650 7.700 8.380 -0.051 0.000 0.503 102 I N 3.135 123.715 120.570 0.017 0.000 2.229 102 I HA -0.539 3.652 4.170 0.036 0.000 0.250 102 I C 1.173 177.268 176.117 -0.036 0.000 1.096 102 I CA 2.847 64.137 61.300 -0.016 0.000 1.358 102 I CB 0.047 37.987 38.000 -0.100 0.000 1.047 102 I HN 0.459 8.701 8.210 0.053 0.000 0.422 103 R N -0.789 119.667 120.500 -0.073 0.000 2.103 103 R HA -0.420 3.880 4.340 -0.066 0.000 0.242 103 R C 1.634 177.978 176.300 0.072 0.000 1.142 103 R CA 3.456 59.544 56.100 -0.019 0.000 0.960 103 R CB -1.436 28.883 30.300 0.032 0.000 0.858 103 R HN 0.231 8.451 8.270 -0.061 0.013 0.439 104 A N -0.915 121.956 122.820 0.086 0.000 1.935 104 A HA -0.162 4.249 4.320 0.152 0.000 0.214 104 A C 1.806 179.520 177.584 0.217 0.000 1.178 104 A CA 2.279 54.399 52.037 0.138 0.000 0.640 104 A CB 0.004 19.066 19.000 0.104 0.000 0.825 104 A HN 0.091 8.179 8.150 0.061 0.098 0.447 105 L N -2.040 119.296 121.223 0.189 0.000 2.013 105 L HA -0.345 4.323 4.340 0.546 0.000 0.212 105 L C 2.689 179.820 176.870 0.435 0.000 1.073 105 L CA 3.212 58.276 54.840 0.374 0.000 0.753 105 L CB -0.006 42.161 42.059 0.180 0.000 0.890 105 L HN -0.429 7.861 8.230 0.099 0.000 0.432 106 L N -7.882 113.501 121.223 0.266 0.000 2.313 106 L HA -0.008 4.400 4.340 0.114 0.000 0.214 106 L C 0.826 177.867 176.870 0.286 0.000 1.119 106 L CA 2.456 57.420 54.840 0.206 0.000 0.809 106 L CB -0.238 41.942 42.059 0.201 0.000 0.933 106 L HN -0.548 7.809 8.230 0.212 0.000 0.449 107 S N -4.267 111.605 115.700 0.287 0.000 2.556 107 S HA 0.078 4.769 4.470 0.369 0.000 0.216 107 S C 0.565 175.398 174.600 0.388 0.000 0.970 107 S CA 1.701 60.088 58.200 0.312 0.000 0.912 107 S CB 1.065 64.388 63.200 0.205 0.000 0.790 107 S HN -0.610 7.694 8.310 0.250 0.156 0.504 108 T N -3.785 110.991 114.554 0.370 0.000 3.058 108 T HA 0.199 4.783 4.350 0.390 0.000 0.278 108 T C 0.398 175.078 174.700 -0.034 0.000 0.974 108 T CA 0.041 62.321 62.100 0.300 0.000 0.893 108 T CB 1.501 70.578 68.868 0.348 0.000 1.138 108 T HN -0.014 8.253 8.240 0.343 0.179 0.529 109 M N 2.821 122.373 119.600 -0.080 0.000 2.358 109 M HA -0.350 3.412 4.480 -1.197 0.000 0.264 109 M C 0.800 176.746 176.300 -0.589 0.000 1.064 109 M CA 4.095 59.023 55.300 -0.620 0.000 1.093 109 M CB -0.194 32.071 32.600 -0.558 0.000 1.401 109 M HN -0.582 7.779 8.290 0.119 0.000 0.440 110 H N -3.890 114.960 119.070 -0.367 0.000 2.456 110 H HA -0.198 4.085 4.556 -0.456 0.000 0.296 110 H C 1.294 176.485 175.328 -0.229 0.000 1.079 110 H CA 2.636 58.522 56.048 -0.269 0.000 1.322 110 H CB -0.851 28.974 29.762 0.104 0.000 1.388 110 H HN 0.332 8.728 8.280 0.246 0.032 0.538 111 T N -1.812 112.220 114.554 -0.870 0.000 3.215 111 T HA -0.133 3.967 4.350 -0.417 0.000 0.254 111 T C -0.155 174.310 174.700 -0.392 0.000 1.149 111 T CA 1.672 63.431 62.100 -0.568 0.000 1.042 111 T CB -0.529 68.026 68.868 -0.522 0.000 0.966 111 T HN -0.396 7.153 8.240 -1.101 0.030 0.534 112 V N -5.173 114.465 119.914 -0.461 0.000 3.293 112 V HA 0.375 4.378 4.120 -0.196 0.000 0.381 112 V C -1.669 174.275 176.094 -0.251 0.000 1.465 112 V CA -1.313 60.777 62.300 -0.350 0.000 1.331 112 V CB 0.334 31.835 31.823 -0.536 0.000 1.160 112 V HN -0.402 7.261 8.190 -0.542 0.202 0.565 113 L N -0.034 121.006 121.223 -0.305 0.000 2.472 113 L HA 0.221 4.395 4.340 -0.276 0.000 0.256 113 L C -0.259 176.493 176.870 -0.196 0.000 1.111 113 L CA -0.370 54.233 54.840 -0.396 0.000 0.800 113 L CB 1.378 42.971 42.059 -0.778 0.000 1.286 113 L HN -0.835 7.198 8.230 -0.328 0.000 0.479 114 W N -4.021 117.158 121.300 -0.201 0.000 2.313 114 W HA 0.183 4.692 4.660 -0.253 0.000 0.328 114 W C -0.534 175.847 176.519 -0.230 0.000 1.197 114 W CA -1.470 55.691 57.345 -0.306 0.000 1.235 114 W CB -0.365 28.762 29.460 -0.555 0.000 1.158 114 W HN -0.063 7.464 8.180 -1.089 0.000 0.578 115 A N 3.966 126.796 122.820 0.018 0.000 2.476 115 A HA -0.188 4.087 4.320 -0.074 0.000 0.275 115 A C -0.106 177.500 177.584 0.038 0.000 1.133 115 A CA 0.905 52.934 52.037 -0.014 0.000 0.797 115 A CB -0.585 18.424 19.000 0.015 0.000 1.081 115 A HN 0.315 8.500 8.150 0.058 0.000 0.510 116 G N 3.978 112.762 108.800 -0.027 0.000 3.876 116 G HA2 -0.224 3.756 3.960 0.034 0.000 0.203 116 G HA3 -0.224 3.815 3.960 0.132 0.000 0.203 116 G C -1.145 173.739 174.900 -0.025 0.000 1.162 116 G CA 0.222 45.345 45.100 0.037 0.000 0.903 116 G HN 0.240 8.469 8.290 -0.101 0.000 0.390 117 E N 3.088 123.175 120.200 -0.189 0.000 2.383 117 E HA -0.090 4.232 4.350 -0.047 0.000 0.257 117 E C 0.054 176.580 176.600 -0.123 0.000 1.079 117 E CA 0.299 56.576 56.400 -0.205 0.000 0.934 117 E CB -0.640 28.708 29.700 -0.587 0.000 0.978 117 E HN -0.366 7.763 8.360 -0.385 0.000 0.462 118 T N 3.647 118.179 114.554 -0.037 0.000 3.040 118 T HA 0.183 4.520 4.350 -0.022 0.000 0.266 118 T C 0.144 174.845 174.700 0.001 0.000 1.005 118 T CA -0.482 61.608 62.100 -0.016 0.000 0.906 118 T CB 0.726 69.587 68.868 -0.012 0.000 1.082 118 T HN -0.067 8.167 8.240 -0.010 0.000 0.531 119 K N -0.250 120.164 120.400 0.024 0.000 2.314 119 K HA -0.028 4.289 4.320 -0.005 0.000 0.198 119 K C -0.181 176.446 176.600 0.045 0.000 1.045 119 K CA 0.382 56.685 56.287 0.027 0.000 0.988 119 K CB 0.532 33.062 32.500 0.049 0.000 0.783 119 K HN 0.297 9.108 8.250 0.024 -0.547 0.484 120 W N 1.640 122.870 121.300 -0.117 0.000 2.322 120 W HA -0.171 4.424 4.660 -0.109 0.000 0.328 120 W C -0.963 175.486 176.519 -0.116 0.000 1.395 120 W CA 0.202 57.472 57.345 -0.126 0.000 1.267 120 W CB 0.488 29.846 29.460 -0.170 0.000 1.259 120 W HN -0.821 7.570 8.180 0.185 -0.099 0.560 121 K N 8.793 128.567 120.400 -1.044 0.000 2.354 121 K HA 0.352 4.363 4.320 -0.514 0.000 0.257 121 K C -2.402 173.528 176.600 -1.116 0.000 1.062 121 K CA -2.995 52.803 56.287 -0.815 0.000 0.971 121 K CB 0.024 32.195 32.500 -0.548 0.000 1.305 121 K HN -0.166 7.292 8.250 -1.321 0.000 0.449 122 P HA -0.231 4.046 4.420 -0.238 0.000 0.263 122 P C -0.960 176.108 177.300 -0.387 0.000 1.162 122 P CA 0.314 63.102 63.100 -0.519 0.000 0.758 122 P CB 0.370 31.760 31.700 -0.517 0.000 0.773 123 V N 3.313 123.116 119.914 -0.186 0.000 2.432 123 V HA -0.083 3.932 4.120 -0.175 0.000 0.271 123 V C 0.141 176.201 176.094 -0.055 0.000 1.046 123 V CA -0.219 62.017 62.300 -0.107 0.000 0.945 123 V CB 0.668 32.505 31.823 0.023 0.000 0.992 123 V HN 0.161 8.348 8.190 -0.006 0.000 0.471 124 G N 5.589 114.349 108.800 -0.067 0.000 2.299 124 G HA2 -0.039 3.900 3.960 -0.036 0.000 0.256 124 G HA3 -0.039 3.898 3.960 -0.039 0.000 0.256 124 G C 0.753 175.657 174.900 0.007 0.000 1.259 124 G CA -0.432 44.648 45.100 -0.034 0.000 0.943 124 G HN 0.191 8.426 8.290 -0.092 0.000 0.479 125 M N 4.614 124.233 119.600 0.032 0.000 2.327 125 M HA -0.587 3.934 4.480 0.069 0.000 0.258 125 M C 1.418 177.743 176.300 0.041 0.000 1.079 125 M CA 3.406 58.738 55.300 0.053 0.000 1.056 125 M CB 0.099 32.736 32.600 0.062 0.000 1.387 125 M HN 0.553 8.862 8.290 0.032 0.000 0.423 126 A N -3.011 119.823 122.820 0.023 0.000 2.169 126 A HA 0.008 4.343 4.320 0.024 0.000 0.212 126 A C 0.821 178.412 177.584 0.012 0.000 1.153 126 A CA 1.525 53.572 52.037 0.017 0.000 0.756 126 A CB -0.683 18.320 19.000 0.005 0.000 0.813 126 A HN -0.205 7.891 8.150 0.015 0.063 0.471 127 D N -1.269 119.137 120.400 0.010 0.000 2.538 127 D HA 0.023 4.664 4.640 0.002 0.000 0.234 127 D C -0.673 175.643 176.300 0.027 0.000 1.191 127 D CA 0.501 54.504 54.000 0.006 0.000 0.828 127 D CB -0.571 40.219 40.800 -0.016 0.000 0.981 127 D HN 0.537 8.705 8.370 0.009 0.208 0.490 128 L N -7.521 113.728 121.223 0.043 0.000 3.425 128 L HA 0.438 4.816 4.340 0.064 0.000 0.330 128 L C -0.016 176.904 176.870 0.082 0.000 1.317 128 L CA -1.290 53.588 54.840 0.064 0.000 0.940 128 L CB -0.744 41.355 42.059 0.068 0.000 1.378 128 L HN -0.847 7.309 8.230 0.040 0.097 0.611 129 V N -4.975 114.978 119.914 0.065 0.000 3.573 129 V HA 0.026 4.208 4.120 0.105 0.000 0.270 129 V C -0.865 175.282 176.094 0.088 0.000 1.221 129 V CA 0.705 63.048 62.300 0.070 0.000 1.163 129 V CB -0.187 31.642 31.823 0.009 0.000 0.847 129 V HN -0.238 7.979 8.190 0.045 0.000 0.468 130 T N -6.396 108.217 114.554 0.098 0.000 2.900 130 T HA 0.447 4.871 4.350 0.125 0.000 0.303 130 T C -1.488 173.309 174.700 0.162 0.000 1.142 130 T CA -3.723 58.445 62.100 0.113 0.000 1.007 130 T CB 1.505 70.415 68.868 0.069 0.000 1.156 130 T HN -0.855 7.372 8.240 0.090 0.066 0.490 131 P HA -0.233 4.439 4.420 0.421 0.000 0.217 131 P C 1.322 178.749 177.300 0.211 0.000 1.150 131 P CA 2.009 65.279 63.100 0.284 0.000 0.832 131 P CB 0.261 32.099 31.700 0.230 0.000 0.787 132 E N -2.840 117.448 120.200 0.148 0.000 2.160 132 E HA -0.312 4.122 4.350 0.139 0.000 0.195 132 E C 2.653 179.323 176.600 0.116 0.000 0.991 132 E CA 3.342 59.816 56.400 0.124 0.000 0.810 132 E CB -0.756 28.995 29.700 0.085 0.000 0.742 132 E HN 0.632 9.068 8.360 0.126 0.000 0.466 133 Q N -1.911 117.953 119.800 0.106 0.000 2.137 133 Q HA -0.177 4.203 4.340 0.067 0.000 0.198 133 Q C 2.535 178.598 176.000 0.104 0.000 0.960 133 Q CA 2.425 58.279 55.803 0.085 0.000 0.847 133 Q CB -0.062 28.716 28.738 0.067 0.000 0.915 133 Q HN -0.536 7.669 8.270 0.111 0.132 0.448 134 V N 1.319 121.306 119.914 0.122 0.000 2.273 134 V HA -0.427 3.749 4.120 0.093 0.000 0.242 134 V C 1.485 177.712 176.094 0.223 0.000 1.035 134 V CA 4.162 66.525 62.300 0.104 0.000 1.013 134 V CB -0.473 31.304 31.823 -0.078 0.000 0.652 134 V HN -0.532 7.644 8.190 0.140 0.099 0.452 135 K N -0.454 120.131 120.400 0.308 0.000 2.113 135 K HA -0.416 4.224 4.320 0.532 0.000 0.208 135 K C 2.034 178.786 176.600 0.254 0.000 1.047 135 K CA 3.812 60.341 56.287 0.403 0.000 0.928 135 K CB -0.301 32.454 32.500 0.425 0.000 0.716 135 K HN 0.370 8.695 8.250 0.293 0.101 0.446 136 K N -1.993 118.518 120.400 0.185 0.000 2.057 136 K HA -0.249 4.141 4.320 0.116 0.000 0.206 136 K C 2.324 178.991 176.600 0.111 0.000 1.050 136 K CA 3.223 59.585 56.287 0.124 0.000 0.935 136 K CB -0.116 32.438 32.500 0.089 0.000 0.715 136 K HN -0.669 7.677 8.250 0.180 0.012 0.439 137 V N -1.333 118.657 119.914 0.128 0.000 2.649 137 V HA -0.285 3.890 4.120 0.092 0.000 0.248 137 V C 1.409 177.592 176.094 0.147 0.000 1.054 137 V CA 2.843 65.221 62.300 0.129 0.000 1.073 137 V CB -0.220 31.686 31.823 0.139 0.000 0.699 137 V HN -0.873 7.324 8.190 0.140 0.077 0.463 138 Y N 1.151 121.471 120.300 0.033 0.000 2.298 138 Y HA -0.542 3.984 4.550 -0.039 0.000 0.287 138 Y C 1.167 176.989 175.900 -0.130 0.000 1.164 138 Y CA 3.953 62.009 58.100 -0.073 0.000 1.229 138 Y CB -0.004 38.342 38.460 -0.190 0.000 0.977 138 Y HN 0.809 9.140 8.280 0.280 0.117 0.538 139 R N -1.745 118.710 120.500 -0.074 0.000 2.066 139 R HA -0.366 3.826 4.340 -0.248 0.000 0.232 139 R C 2.039 178.266 176.300 -0.123 0.000 1.131 139 R CA 3.690 59.710 56.100 -0.133 0.000 0.955 139 R CB -0.296 30.005 30.300 0.001 0.000 0.851 139 R HN -0.522 7.768 8.270 0.082 0.029 0.432 140 K N -0.963 119.428 120.400 -0.015 0.000 2.062 140 K HA -0.257 4.092 4.320 0.048 0.000 0.205 140 K C 2.106 178.752 176.600 0.077 0.000 1.051 140 K CA 2.739 59.065 56.287 0.066 0.000 0.941 140 K CB -0.231 32.346 32.500 0.128 0.000 0.719 140 K HN -0.739 7.448 8.250 0.022 0.076 0.440 141 A N -1.304 121.547 122.820 0.051 0.000 1.986 141 A HA -0.317 3.880 4.320 -0.206 0.000 0.220 141 A C 2.007 179.418 177.584 -0.287 0.000 1.171 141 A CA 3.022 54.968 52.037 -0.152 0.000 0.640 141 A CB -0.559 18.322 19.000 -0.198 0.000 0.811 141 A HN 0.338 8.532 8.150 0.074 0.000 0.451 142 V N -2.958 116.720 119.914 -0.393 0.000 2.548 142 V HA -0.358 3.459 4.120 -0.505 0.000 0.249 142 V C 2.020 178.055 176.094 -0.098 0.000 1.055 142 V CA 3.712 65.761 62.300 -0.418 0.000 1.065 142 V CB -0.022 31.440 31.823 -0.601 0.000 0.681 142 V HN -0.680 7.134 8.190 -0.441 0.112 0.462 143 L N -0.955 120.261 121.223 -0.011 0.000 2.201 143 L HA -0.381 4.098 4.340 0.231 0.000 0.212 143 L C 2.246 179.212 176.870 0.161 0.000 1.105 143 L CA 2.516 57.435 54.840 0.130 0.000 0.775 143 L CB -0.728 41.392 42.059 0.103 0.000 0.913 143 L HN -0.257 7.786 8.230 -0.058 0.152 0.440 144 V N -1.850 118.118 119.914 0.091 0.000 2.490 144 V HA -0.254 3.951 4.120 0.143 0.000 0.250 144 V C 1.133 177.395 176.094 0.281 0.000 1.061 144 V CA 3.857 66.217 62.300 0.100 0.000 1.064 144 V CB 0.022 31.759 31.823 -0.143 0.000 0.670 144 V HN -0.261 7.813 8.190 0.020 0.128 0.461 145 V N -9.736 110.335 119.914 0.261 0.000 2.940 145 V HA 0.181 4.624 4.120 0.539 0.000 0.366 145 V C -1.073 175.251 176.094 0.382 0.000 1.353 145 V CA -2.423 60.119 62.300 0.404 0.000 1.232 145 V CB -0.433 31.616 31.823 0.376 0.000 1.278 145 V HN -0.909 7.233 8.190 0.134 0.128 0.546 146 H N 5.138 124.358 119.070 0.250 0.000 2.929 146 H HA 0.146 4.882 4.556 0.300 0.000 0.317 146 H C -0.385 175.010 175.328 0.113 0.000 1.031 146 H CA 0.529 56.700 56.048 0.205 0.000 1.466 146 H CB 1.634 31.478 29.762 0.136 0.000 1.482 146 H HN -0.922 7.438 8.280 0.386 0.151 0.561 147 P HA -0.393 4.003 4.420 -0.040 0.000 0.222 147 P C 1.433 178.805 177.300 0.120 0.000 1.159 147 P CA 3.117 66.245 63.100 0.046 0.000 0.920 147 P CB 0.070 31.742 31.700 -0.047 0.000 0.793 148 D N -2.762 117.779 120.400 0.234 0.000 2.170 148 D HA -0.321 4.344 4.640 0.041 0.000 0.193 148 D C 2.425 178.760 176.300 0.059 0.000 1.004 148 D CA 2.999 57.052 54.000 0.088 0.000 0.860 148 D CB -0.226 40.587 40.800 0.023 0.000 0.931 148 D HN -0.278 8.387 8.370 0.492 0.000 0.448 149 K N -3.062 117.410 120.400 0.120 0.000 2.444 149 K HA -0.080 4.302 4.320 0.104 0.000 0.193 149 K C -1.083 175.562 176.600 0.075 0.000 1.024 149 K CA 0.485 56.855 56.287 0.138 0.000 1.077 149 K CB 0.476 33.122 32.500 0.243 0.000 0.833 149 K HN -0.049 8.209 8.250 0.191 0.107 0.517 150 A N -2.778 120.024 122.820 -0.030 0.000 2.705 150 A HA 0.311 4.270 4.320 -0.602 0.000 0.294 150 A C -1.135 176.289 177.584 -0.268 0.000 1.039 150 A CA -1.006 50.876 52.037 -0.258 0.000 1.005 150 A CB 0.520 19.448 19.000 -0.120 0.000 1.192 150 A HN 0.251 8.188 8.150 0.022 0.226 0.513 151 T N 1.922 116.348 114.554 -0.213 0.000 2.727 151 T HA -0.027 4.334 4.350 -0.154 -0.103 0.298 151 T C 0.615 175.188 174.700 -0.211 0.000 0.942 151 T CA 1.200 63.198 62.100 -0.169 0.000 0.997 151 T CB -0.197 68.610 68.868 -0.101 0.000 0.917 151 T HN -0.746 7.327 8.240 -0.179 0.060 0.487 152 G N 7.302 115.979 108.800 -0.206 0.000 2.296 152 G HA2 -0.403 3.622 3.960 -0.176 0.000 0.282 152 G HA3 -0.403 3.466 3.960 -0.153 0.000 0.282 152 G C -0.820 173.917 174.900 -0.273 0.000 1.014 152 G CA 0.961 45.944 45.100 -0.196 0.000 0.812 152 G HN 0.376 9.057 8.290 -0.186 -0.504 0.508 153 Q N -1.507 118.028 119.800 -0.440 0.000 2.230 153 Q HA 0.296 4.382 4.340 -0.423 0.000 0.253 153 Q C -0.882 174.730 176.000 -0.647 0.000 0.919 153 Q CA -2.979 52.445 55.803 -0.632 0.000 0.908 153 Q CB -0.770 27.279 28.738 -1.148 0.000 1.245 153 Q HN -0.683 7.268 8.270 -0.471 0.037 0.437 154 P HA -0.272 4.032 4.420 -0.193 0.000 0.219 154 P C -0.627 176.489 177.300 -0.308 0.000 1.151 154 P CA 2.173 65.112 63.100 -0.268 0.000 0.850 154 P CB -0.058 31.562 31.700 -0.133 0.000 0.784 155 Y N -9.982 110.071 120.300 -0.412 0.000 2.683 155 Y HA 0.250 4.487 4.550 -0.523 0.000 0.297 155 Y C -0.133 175.541 175.900 -0.377 0.000 1.147 155 Y CA -3.022 54.750 58.100 -0.547 0.000 1.274 155 Y CB -1.952 35.966 38.460 -0.903 0.000 1.143 155 Y HN -0.459 7.107 8.280 -1.134 0.034 0.527 156 E N 2.244 122.159 120.200 -0.475 0.000 2.153 156 E HA -0.416 3.795 4.350 -0.398 -0.100 0.194 156 E C 1.483 178.039 176.600 -0.073 0.000 0.988 156 E CA 3.402 59.612 56.400 -0.317 0.000 0.811 156 E CB -0.164 29.366 29.700 -0.283 0.000 0.746 156 E HN 0.526 8.414 8.360 -0.490 0.178 0.466 157 Q N -2.540 117.277 119.800 0.030 0.000 2.230 157 Q HA -0.234 4.137 4.340 0.052 0.000 0.202 157 Q C 2.711 178.854 176.000 0.238 0.000 0.963 157 Q CA 2.489 58.363 55.803 0.119 0.000 0.866 157 Q CB -0.081 28.739 28.738 0.137 0.000 0.931 157 Q HN 0.296 8.552 8.270 0.001 0.014 0.452 158 Y N -0.212 120.124 120.300 0.060 0.000 2.145 158 Y HA -0.406 4.225 4.550 0.136 0.000 0.286 158 Y C 1.476 177.479 175.900 0.171 0.000 1.145 158 Y CA 2.351 60.541 58.100 0.150 0.000 1.148 158 Y CB -0.760 37.865 38.460 0.275 0.000 0.981 158 Y HN -0.845 7.591 8.280 0.491 0.139 0.507 159 A N -1.452 121.556 122.820 0.313 0.000 1.859 159 A HA -0.540 4.003 4.320 0.371 0.000 0.217 159 A C 1.582 179.304 177.584 0.231 0.000 1.198 159 A CA 3.633 55.833 52.037 0.271 0.000 0.629 159 A CB -1.020 18.068 19.000 0.147 0.000 0.830 159 A HN -0.332 7.972 8.150 0.256 0.000 0.446 160 K N -3.335 117.139 120.400 0.123 0.000 2.160 160 K HA -0.354 4.006 4.320 0.066 0.000 0.206 160 K C 2.738 179.424 176.600 0.143 0.000 1.047 160 K CA 3.187 59.528 56.287 0.091 0.000 0.930 160 K CB -0.430 32.084 32.500 0.023 0.000 0.720 160 K HN -0.564 7.736 8.250 0.083 0.000 0.450 161 M N -1.398 118.282 119.600 0.133 0.000 2.098 161 M HA -0.209 4.333 4.480 0.102 0.000 0.262 161 M C 2.512 178.921 176.300 0.182 0.000 1.072 161 M CA 2.532 57.902 55.300 0.117 0.000 1.133 161 M CB 0.120 32.743 32.600 0.037 0.000 1.344 161 M HN -0.705 7.541 8.290 0.132 0.124 0.414 162 I N -2.939 117.749 120.570 0.197 0.000 2.617 162 I HA -0.340 4.017 4.170 0.313 0.000 0.256 162 I C 1.980 178.214 176.117 0.196 0.000 1.167 162 I CA 2.958 64.385 61.300 0.212 0.000 1.469 162 I CB -0.746 37.303 38.000 0.080 0.000 1.098 162 I HN 0.047 8.366 8.210 0.183 0.000 0.436 163 F N 2.150 122.148 119.950 0.081 0.000 2.102 163 F HA -0.416 4.117 4.527 0.010 0.000 0.298 163 F C 1.069 176.903 175.800 0.058 0.000 1.105 163 F CA 4.411 62.434 58.000 0.039 0.000 1.239 163 F CB 0.522 39.531 39.000 0.015 0.000 0.991 163 F HN 0.651 9.040 8.300 0.350 0.120 0.474 164 M N -2.548 117.282 119.600 0.382 0.000 2.193 164 M HA -0.390 4.286 4.480 0.328 0.000 0.265 164 M C 1.929 178.331 176.300 0.170 0.000 1.071 164 M CA 2.564 58.028 55.300 0.274 0.000 1.140 164 M CB -0.516 32.210 32.600 0.210 0.000 1.369 164 M HN -0.747 7.763 8.290 0.367 0.000 0.423 165 E N -0.218 120.079 120.200 0.162 0.000 2.049 165 E HA -0.357 4.047 4.350 0.090 0.000 0.198 165 E C 2.674 179.360 176.600 0.144 0.000 1.007 165 E CA 3.042 59.520 56.400 0.129 0.000 0.809 165 E CB -0.419 29.377 29.700 0.159 0.000 0.749 165 E HN -0.727 7.745 8.360 0.186 0.000 0.450 166 L N -1.767 119.551 121.223 0.159 0.000 2.081 166 L HA -0.295 4.188 4.340 0.239 0.000 0.212 166 L C 1.974 179.016 176.870 0.287 0.000 1.080 166 L CA 3.487 58.444 54.840 0.195 0.000 0.754 166 L CB -0.852 41.218 42.059 0.019 0.000 0.893 166 L HN -0.175 8.146 8.230 0.151 0.000 0.433 167 N N -4.246 114.561 118.700 0.178 0.000 2.422 167 N HA -0.185 4.705 4.740 0.250 0.000 0.181 167 N C 1.486 177.133 175.510 0.228 0.000 1.080 167 N CA 1.739 54.914 53.050 0.209 0.000 0.893 167 N CB -0.442 38.122 38.487 0.130 0.000 0.973 167 N HN -0.710 7.616 8.380 0.095 0.112 0.456 168 D N 1.270 121.777 120.400 0.178 0.000 2.146 168 D HA -0.160 4.559 4.640 0.131 0.000 0.209 168 D C 1.019 177.397 176.300 0.129 0.000 0.973 168 D CA 3.372 57.452 54.000 0.133 0.000 0.860 168 D CB 0.640 41.491 40.800 0.085 0.000 1.015 168 D HN -0.223 8.034 8.370 0.164 0.211 0.465 169 A N -0.708 122.184 122.820 0.119 0.000 2.015 169 A HA -0.216 4.139 4.320 0.058 0.000 0.219 169 A C 1.336 179.010 177.584 0.150 0.000 1.163 169 A CA 2.716 54.810 52.037 0.096 0.000 0.646 169 A CB -0.537 18.500 19.000 0.061 0.000 0.806 169 A HN -0.447 7.771 8.150 0.114 0.000 0.448 170 W N -1.451 119.849 121.300 -0.001 0.000 2.325 170 W HA -0.433 4.212 4.660 -0.025 0.000 0.299 170 W C 0.779 177.309 176.519 0.018 0.000 1.215 170 W CA 3.270 60.583 57.345 -0.054 0.000 1.244 170 W CB -0.169 29.131 29.460 -0.268 0.000 1.140 170 W HN -0.456 7.903 8.180 0.335 0.022 0.523 171 S N -2.573 113.191 115.700 0.106 0.000 2.382 171 S HA -0.353 4.092 4.470 -0.041 0.000 0.228 171 S C 2.178 176.723 174.600 -0.092 0.000 1.027 171 S CA 3.846 62.045 58.200 -0.001 0.000 0.991 171 S CB -0.769 62.479 63.200 0.080 0.000 0.823 171 S HN -0.627 7.817 8.310 0.235 0.007 0.469 172 E N 1.976 122.151 120.200 -0.042 0.000 2.158 172 E HA -0.153 4.152 4.350 -0.074 0.000 0.191 172 E C 1.506 178.051 176.600 -0.093 0.000 0.982 172 E CA 1.822 58.188 56.400 -0.056 0.000 0.823 172 E CB -0.675 29.018 29.700 -0.012 0.000 0.766 172 E HN -0.867 7.389 8.360 0.015 0.113 0.468 173 F N 2.297 122.091 119.950 -0.260 0.000 2.202 173 F HA -0.055 4.591 4.527 -0.205 -0.243 0.301 173 F C 2.464 178.035 175.800 -0.382 0.000 1.082 173 F CA 2.910 60.720 58.000 -0.316 0.000 1.313 173 F CB 0.081 38.831 39.000 -0.417 0.000 1.024 173 F HN 0.809 8.922 8.300 0.029 0.205 0.495 174 E N -1.937 117.928 120.200 -0.559 0.000 2.106 174 E HA -0.426 3.501 4.350 -0.705 0.000 0.192 174 E C 2.256 178.610 176.600 -0.409 0.000 0.984 174 E CA 3.133 59.199 56.400 -0.557 0.000 0.806 174 E CB -0.392 29.069 29.700 -0.399 0.000 0.750 174 E HN -0.289 7.783 8.360 -0.446 0.021 0.458 175 N N -1.723 116.801 118.700 -0.293 0.000 2.305 175 N HA -0.070 4.551 4.740 -0.198 0.000 0.179 175 N C 1.436 176.818 175.510 -0.213 0.000 1.019 175 N CA 2.369 55.294 53.050 -0.209 0.000 0.869 175 N CB 0.357 38.761 38.487 -0.137 0.000 1.000 175 N HN -0.527 7.598 8.380 -0.262 0.097 0.431 176 Q N -1.283 118.392 119.800 -0.208 0.000 2.269 176 Q HA 0.065 4.328 4.340 -0.130 0.000 0.201 176 Q C 1.415 177.279 176.000 -0.227 0.000 0.946 176 Q CA 1.478 57.187 55.803 -0.156 0.000 0.877 176 Q CB 0.901 29.597 28.738 -0.070 0.000 0.963 176 Q HN 0.695 8.713 8.270 -0.199 0.132 0.472 177 G N -0.734 107.767 108.800 -0.498 0.000 2.411 177 G HA2 -0.061 3.718 3.960 -0.301 0.000 0.213 177 G HA3 -0.061 2.733 3.960 -2.047 -0.062 0.213 177 G C 0.989 175.545 174.900 -0.572 0.000 1.166 177 G CA 0.329 44.953 45.100 -0.794 0.000 0.802 177 G HN 0.155 7.945 8.290 -0.592 0.145 0.533 178 Q N 0.718 120.191 119.800 -0.545 0.000 2.634 178 Q HA -0.085 4.079 4.340 -0.294 0.000 0.222 178 Q C -0.614 175.265 176.000 -0.202 0.000 1.004 178 Q CA 0.483 56.092 55.803 -0.323 0.000 0.965 178 Q CB -1.746 26.822 28.738 -0.282 0.000 1.586 178 Q HN -0.469 7.427 8.270 -0.623 0.000 0.409 179 K N -0.762 119.533 120.400 -0.174 0.000 2.568 179 K HA 0.270 4.526 4.320 -0.106 0.000 0.273 179 K C -3.276 173.256 176.600 -0.112 0.000 0.951 179 K CA -2.605 53.607 56.287 -0.125 0.000 0.854 179 K CB 1.774 34.196 32.500 -0.129 0.000 1.424 179 K HN 0.240 8.256 8.250 -0.194 0.117 0.427 180 P HA -0.157 4.138 4.420 -0.209 0.000 0.242 180 P C -1.043 176.052 177.300 -0.342 0.000 1.116 180 P CA 0.385 63.314 63.100 -0.285 0.000 0.954 180 P CB 0.046 31.542 31.700 -0.340 0.000 0.908 181 L N 7.990 129.100 121.223 -0.188 0.000 2.719 181 L HA 0.259 4.532 4.340 -0.111 0.000 0.236 181 L C -2.412 174.488 176.870 0.051 0.000 1.221 181 L CA -0.688 54.115 54.840 -0.061 0.000 1.048 181 L CB -0.441 41.662 42.059 0.074 0.000 1.364 181 L HN -0.049 8.173 8.230 -0.014 0.000 0.447 182 Y N 0.000 120.312 120.300 0.019 0.000 2.660 182 Y HA 0.000 4.565 4.550 0.025 0.000 0.201 182 Y CA 0.000 58.112 58.100 0.021 0.000 1.940 182 Y CB 0.000 38.474 38.460 0.023 0.000 1.050 182 Y HN 0.000 7.967 8.280 -0.522 0.000 0.758