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 1ysg_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSMAMSQSNR ELVVDFLSYK LSQKGYSWSQ FSDVEENRTE APEGTESEXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXAV KQALREAGDE DATA SEQUENCE FELRYRRAFS DLTSQLHITP GTAYQSFEQV VNELFRDGVN WGRIVAFFSF DATA SEQUENCE GGALCVESVD KEMQVLVSRI AAWMATYLND HLEPWIQENG GWDTFVELYG DATA SEQUENCE NNAAAESRKG QERLEHHHHH H 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 M HA 0.000 4.489 4.480 0.014 0.000 0.227 1 M C 0.000 176.312 176.300 0.019 0.000 1.140 1 M CA 0.000 55.309 55.300 0.016 0.000 0.988 1 M CB 0.000 32.610 32.600 0.016 0.000 1.302 2 S N 0.661 116.376 115.700 0.024 0.000 2.514 2 S HA 0.205 4.691 4.470 0.027 0.000 0.223 2 S C -0.269 174.353 174.600 0.036 0.000 1.046 2 S CA 1.144 59.362 58.200 0.030 0.000 0.914 2 S CB 0.653 63.874 63.200 0.035 0.000 0.807 2 S HN 0.088 8.412 8.310 0.024 0.000 0.497 3 M N -1.142 118.479 119.600 0.036 0.000 2.176 3 M HA -0.339 4.165 4.480 0.041 0.000 0.186 3 M C -2.149 174.184 176.300 0.055 0.000 0.619 3 M CA -0.046 55.278 55.300 0.041 0.000 0.438 3 M CB -3.433 29.187 32.600 0.034 0.000 1.020 3 M HN -0.256 8.053 8.290 0.032 0.000 0.920 4 A N -1.932 120.928 122.820 0.068 0.000 2.346 4 A HA -0.152 4.218 4.320 0.083 0.000 0.255 4 A C 0.997 178.646 177.584 0.108 0.000 1.113 4 A CA 0.376 52.469 52.037 0.093 0.000 0.798 4 A CB 0.910 19.980 19.000 0.116 0.000 1.073 4 A HN -0.385 7.803 8.150 0.064 0.000 0.502 5 M N -5.303 114.381 119.600 0.141 0.000 2.612 5 M HA -0.340 4.252 4.480 0.187 0.000 0.194 5 M C 0.003 176.370 176.300 0.111 0.000 0.530 5 M CA 0.385 55.779 55.300 0.157 0.000 0.548 5 M CB -3.131 29.572 32.600 0.171 0.000 2.013 5 M HN 0.612 8.993 8.290 0.151 0.000 0.711 6 S N -1.837 113.916 115.700 0.088 0.000 2.425 6 S HA -0.158 4.350 4.470 0.063 0.000 0.225 6 S C 0.357 174.997 174.600 0.067 0.000 1.024 6 S CA 2.115 60.355 58.200 0.067 0.000 0.951 6 S CB 0.389 63.620 63.200 0.052 0.000 0.796 6 S HN 0.263 8.596 8.310 0.086 0.029 0.498 7 Q N -2.677 117.166 119.800 0.071 0.000 2.010 7 Q HA 0.074 4.460 4.340 0.076 0.000 0.219 7 Q C -2.007 174.034 176.000 0.068 0.000 0.811 7 Q CA 0.108 55.951 55.803 0.067 0.000 0.959 7 Q CB 0.665 29.431 28.738 0.047 0.000 1.297 7 Q HN -0.012 8.303 8.270 0.075 0.000 0.385 8 S N -0.852 114.901 115.700 0.088 0.000 2.552 8 S HA 0.232 4.726 4.470 0.040 0.000 0.246 8 S C -0.672 174.005 174.600 0.129 0.000 1.019 8 S CA -0.091 58.154 58.200 0.075 0.000 1.045 8 S CB 0.350 63.586 63.200 0.060 0.000 0.784 8 S HN 0.077 8.452 8.310 0.107 0.000 0.453 9 N N 0.881 119.675 118.700 0.156 0.000 2.672 9 N HA -0.020 4.901 4.740 0.301 0.000 0.229 9 N C 1.708 177.340 175.510 0.203 0.000 1.043 9 N CA 1.007 54.195 53.050 0.231 0.000 0.932 9 N CB 0.230 38.858 38.487 0.235 0.000 1.500 9 N HN -0.115 8.248 8.380 0.128 0.093 0.445 10 R N 2.498 123.088 120.500 0.149 0.000 2.091 10 R HA -0.261 4.171 4.340 0.154 0.000 0.238 10 R C 0.555 176.905 176.300 0.083 0.000 1.136 10 R CA 3.060 59.236 56.100 0.126 0.000 0.959 10 R CB -0.459 29.900 30.300 0.097 0.000 0.856 10 R HN 0.094 8.444 8.270 0.132 0.000 0.437 11 E N -2.142 118.083 120.200 0.042 0.000 2.437 11 E HA -0.027 4.269 4.350 -0.091 0.000 0.189 11 E C 1.499 178.079 176.600 -0.034 0.000 1.054 11 E CA -0.030 56.347 56.400 -0.039 0.000 0.874 11 E CB -0.130 29.536 29.700 -0.057 0.000 1.011 11 E HN -0.099 8.293 8.360 0.054 0.000 0.474 12 L N 0.748 122.008 121.223 0.061 0.000 2.127 12 L HA -0.124 4.189 4.340 -0.045 0.000 0.203 12 L C 0.820 177.758 176.870 0.114 0.000 1.080 12 L CA 2.506 57.386 54.840 0.066 0.000 0.768 12 L CB 0.434 42.625 42.059 0.221 0.000 0.924 12 L HN -0.053 8.021 8.230 0.120 0.228 0.444 13 V N -1.200 118.861 119.914 0.244 0.000 2.667 13 V HA -0.346 4.015 4.120 0.401 0.000 0.252 13 V C 1.372 177.505 176.094 0.064 0.000 1.065 13 V CA 3.531 66.001 62.300 0.283 0.000 1.083 13 V CB 0.053 32.064 31.823 0.313 0.000 0.692 13 V HN -0.746 7.595 8.190 0.252 0.000 0.468 14 V N 0.035 119.857 119.914 -0.153 0.000 2.488 14 V HA -0.342 3.233 4.120 -0.909 0.000 0.246 14 V C 0.993 176.772 176.094 -0.525 0.000 1.046 14 V CA 3.108 65.002 62.300 -0.676 0.000 1.053 14 V CB -0.669 30.605 31.823 -0.915 0.000 0.679 14 V HN -0.507 7.613 8.190 -0.084 0.019 0.458 15 D N 0.414 120.651 120.400 -0.272 0.000 2.084 15 D HA -0.255 4.243 4.640 -0.237 0.000 0.194 15 D C 1.672 177.939 176.300 -0.055 0.000 0.990 15 D CA 3.534 57.426 54.000 -0.180 0.000 0.826 15 D CB -0.178 40.545 40.800 -0.129 0.000 0.971 15 D HN -0.628 7.623 8.370 -0.199 0.000 0.453 16 F N 0.542 120.402 119.950 -0.151 0.000 2.186 16 F HA -0.327 4.173 4.527 -0.045 0.000 0.299 16 F C 1.353 177.184 175.800 0.053 0.000 1.090 16 F CA 2.558 60.522 58.000 -0.061 0.000 1.307 16 F CB 0.145 39.064 39.000 -0.134 0.000 1.019 16 F HN -0.759 7.594 8.300 0.088 0.000 0.489 17 L N -0.883 120.324 121.223 -0.027 0.000 1.970 17 L HA -0.643 3.677 4.340 -0.034 0.000 0.212 17 L C 1.786 178.637 176.870 -0.032 0.000 1.071 17 L CA 3.777 58.616 54.840 -0.002 0.000 0.751 17 L CB -0.449 41.738 42.059 0.214 0.000 0.889 17 L HN -0.048 8.029 8.230 0.047 0.181 0.432 18 S N -1.468 114.185 115.700 -0.078 0.000 2.387 18 S HA -0.441 4.054 4.470 0.041 0.000 0.230 18 S C 2.050 176.616 174.600 -0.057 0.000 1.035 18 S CA 3.283 61.454 58.200 -0.049 0.000 1.014 18 S CB -0.114 62.995 63.200 -0.152 0.000 0.836 18 S HN -0.015 8.161 8.310 -0.224 0.000 0.466 19 Y N 0.940 121.115 120.300 -0.209 0.000 2.256 19 Y HA -0.343 4.128 4.550 -0.132 0.000 0.288 19 Y C 1.113 176.869 175.900 -0.240 0.000 1.155 19 Y CA 3.242 61.216 58.100 -0.210 0.000 1.203 19 Y CB 0.072 38.392 38.460 -0.234 0.000 0.980 19 Y HN -0.454 7.725 8.280 -0.010 0.094 0.530 20 K N -1.957 118.224 120.400 -0.365 0.000 2.211 20 K HA -0.092 3.967 4.320 -0.436 0.000 0.201 20 K C 2.010 178.512 176.600 -0.164 0.000 1.052 20 K CA 1.693 57.773 56.287 -0.346 0.000 0.973 20 K CB 0.162 32.462 32.500 -0.334 0.000 0.766 20 K HN -0.483 7.446 8.250 -0.314 0.133 0.466 21 L N -0.343 120.846 121.223 -0.055 0.000 2.044 21 L HA -0.331 4.088 4.340 0.132 0.000 0.205 21 L C 1.460 178.367 176.870 0.062 0.000 1.075 21 L CA 3.287 58.186 54.840 0.098 0.000 0.747 21 L CB -0.129 42.066 42.059 0.227 0.000 0.903 21 L HN 0.321 8.324 8.230 -0.063 0.189 0.435 22 S N -1.722 113.963 115.700 -0.025 0.000 2.420 22 S HA -0.430 4.039 4.470 -0.002 0.000 0.237 22 S C 2.209 176.759 174.600 -0.084 0.000 1.023 22 S CA 2.942 61.113 58.200 -0.048 0.000 0.991 22 S CB -0.310 62.839 63.200 -0.085 0.000 0.792 22 S HN 0.165 8.332 8.310 -0.054 0.112 0.488 23 Q N -0.839 118.873 119.800 -0.147 0.000 2.167 23 Q HA -0.198 4.052 4.340 -0.150 0.000 0.202 23 Q C 1.377 177.344 176.000 -0.055 0.000 0.970 23 Q CA 2.354 58.070 55.803 -0.144 0.000 0.855 23 Q CB 0.114 28.725 28.738 -0.211 0.000 0.911 23 Q HN -0.037 7.982 8.270 -0.192 0.135 0.438 24 K N -3.597 116.808 120.400 0.009 0.000 2.284 24 K HA -0.009 4.330 4.320 0.032 0.000 0.198 24 K C 0.528 177.142 176.600 0.024 0.000 1.048 24 K CA 0.225 56.554 56.287 0.071 0.000 0.987 24 K CB 1.424 34.058 32.500 0.223 0.000 0.800 24 K HN -0.221 7.898 8.250 0.022 0.145 0.486 25 G N -2.700 106.112 108.800 0.022 0.000 2.226 25 G HA2 -0.267 3.668 3.960 -0.042 0.000 0.176 25 G HA3 -0.267 3.619 3.960 -0.124 0.000 0.176 25 G C -0.449 174.371 174.900 -0.134 0.000 1.042 25 G CA 0.104 45.162 45.100 -0.070 0.000 0.732 25 G HN 0.065 8.306 8.290 0.063 0.087 0.494 26 Y N -1.327 119.019 120.300 0.077 0.000 2.535 26 Y HA 0.026 4.659 4.550 0.139 0.000 0.266 26 Y C -0.131 175.910 175.900 0.235 0.000 1.088 26 Y CA 0.262 58.474 58.100 0.187 0.000 1.285 26 Y CB 1.556 40.174 38.460 0.264 0.000 1.166 26 Y HN -0.728 7.704 8.280 0.253 0.000 0.525 27 S N -2.627 113.208 115.700 0.224 0.000 3.514 27 S HA -0.346 4.135 4.470 0.018 0.000 0.634 27 S C -0.739 173.693 174.600 -0.281 0.000 2.489 27 S CA 1.726 59.950 58.200 0.040 0.000 2.771 27 S CB 0.041 63.269 63.200 0.047 0.000 0.328 27 S HN -0.516 7.912 8.310 0.197 0.000 1.714 28 W N -1.105 119.820 121.300 -0.626 0.000 4.886 28 W HA 0.111 3.013 4.660 -2.930 0.000 0.170 28 W C 1.132 177.319 176.519 -0.553 0.000 1.103 28 W CA 1.429 58.048 57.345 -1.209 0.000 1.761 28 W CB 0.340 29.361 29.460 -0.731 0.000 0.566 28 W HN 0.271 8.396 8.180 -0.092 0.000 1.038 29 S N 1.390 117.134 115.700 0.073 0.000 2.402 29 S HA -0.451 4.141 4.470 0.204 0.000 0.233 29 S C 0.869 175.498 174.600 0.049 0.000 1.030 29 S CA 3.216 61.480 58.200 0.107 0.000 1.003 29 S CB -0.361 62.888 63.200 0.081 0.000 0.813 29 S HN 0.031 8.394 8.310 0.088 0.000 0.477 30 Q N -1.336 118.498 119.800 0.057 0.000 2.432 30 Q HA -0.148 4.241 4.340 0.080 0.000 0.205 30 Q C 1.710 177.836 176.000 0.210 0.000 0.945 30 Q CA 1.721 57.596 55.803 0.120 0.000 0.924 30 Q CB -0.255 28.565 28.738 0.137 0.000 1.016 30 Q HN 0.112 8.374 8.270 0.028 0.025 0.503 31 F N 0.684 120.535 119.950 -0.166 0.000 1.997 31 F HA -0.229 4.174 4.527 -0.206 0.000 0.296 31 F C 1.268 176.942 175.800 -0.210 0.000 1.160 31 F CA 2.132 59.966 58.000 -0.276 0.000 1.176 31 F CB -0.017 38.612 39.000 -0.618 0.000 0.964 31 F HN -0.065 8.095 8.300 0.101 0.200 0.484 32 S N -3.868 111.842 115.700 0.016 0.000 2.573 32 S HA 0.167 4.620 4.470 -0.029 0.000 0.244 32 S C -1.010 173.599 174.600 0.014 0.000 0.984 32 S CA 0.120 58.312 58.200 -0.013 0.000 1.001 32 S CB 0.521 63.704 63.200 -0.028 0.000 0.788 32 S HN -0.003 8.295 8.310 -0.020 0.000 0.456 33 D N 0.347 120.765 120.400 0.031 0.000 4.542 33 D HA -0.499 4.210 4.640 0.040 -0.045 0.206 33 D C -0.597 175.728 176.300 0.042 0.000 0.668 33 D CA 2.621 56.641 54.000 0.034 0.000 1.597 33 D CB -0.419 40.395 40.800 0.023 0.000 0.989 33 D HN -0.833 7.358 8.370 0.045 0.206 0.426 34 V N -2.657 117.280 119.914 0.037 0.000 3.627 34 V HA -0.290 3.853 4.120 0.038 0.000 0.518 34 V C -1.858 174.260 176.094 0.041 0.000 0.682 34 V CA 1.008 63.335 62.300 0.045 0.000 2.073 34 V CB 0.283 32.147 31.823 0.068 0.000 2.489 34 V HN -0.273 7.924 8.190 0.029 0.010 0.513 35 E N 5.898 126.119 120.200 0.035 0.000 2.558 35 E HA -0.126 4.239 4.350 0.025 0.000 0.255 35 E C 0.080 176.699 176.600 0.032 0.000 0.968 35 E CA 0.669 57.087 56.400 0.029 0.000 0.939 35 E CB 0.429 30.144 29.700 0.025 0.000 0.921 35 E HN 0.044 8.424 8.360 0.035 0.000 0.477 36 E N 6.757 126.973 120.200 0.027 0.000 1.993 36 E HA 0.117 4.486 4.350 0.032 0.000 0.271 36 E C -0.637 175.974 176.600 0.019 0.000 1.008 36 E CA -0.795 55.621 56.400 0.026 0.000 0.814 36 E CB -0.972 28.742 29.700 0.025 0.000 1.098 36 E HN 0.260 8.634 8.360 0.024 0.000 0.407 37 N N 4.815 123.526 118.700 0.018 0.000 2.006 37 N HA -0.327 4.420 4.740 0.013 0.000 0.196 37 N C 0.142 175.658 175.510 0.009 0.000 1.070 37 N CA 2.936 55.994 53.050 0.013 0.000 0.859 37 N CB 0.487 38.981 38.487 0.012 0.000 1.060 37 N HN 0.177 8.570 8.380 0.021 0.000 0.424 38 R N -3.289 117.215 120.500 0.007 0.000 4.231 38 R HA -0.037 4.306 4.340 0.005 0.000 0.030 38 R C -1.791 174.509 176.300 0.000 0.000 0.817 38 R CA 0.048 56.151 56.100 0.004 0.000 2.650 38 R CB 0.517 30.819 30.300 0.003 0.000 0.993 38 R HN -0.140 8.134 8.270 0.007 0.000 0.499 39 T N 0.940 115.493 114.554 -0.002 0.000 3.460 39 T HA -0.200 4.146 4.350 -0.006 0.000 0.416 39 T C -0.054 174.642 174.700 -0.006 0.000 0.766 39 T CA 1.322 63.419 62.100 -0.006 0.000 2.180 39 T CB -1.039 67.823 68.868 -0.010 0.000 1.712 39 T HN 0.170 8.516 8.240 -0.000 -0.106 0.723 40 E N 3.107 123.304 120.200 -0.005 0.000 2.035 40 E HA -0.003 4.344 4.350 -0.005 0.000 0.191 40 E C 0.167 176.763 176.600 -0.007 0.000 0.966 40 E CA 1.081 57.478 56.400 -0.005 0.000 0.823 40 E CB 0.389 30.087 29.700 -0.003 0.000 0.791 40 E HN 0.054 8.411 8.360 -0.004 0.000 0.459 41 A N -0.431 122.385 122.820 -0.006 0.000 3.410 41 A HA 0.290 4.605 4.320 -0.009 0.000 0.276 41 A C -1.759 175.821 177.584 -0.007 0.000 0.995 41 A CA -1.079 50.954 52.037 -0.007 0.000 0.934 41 A CB -0.027 18.969 19.000 -0.006 0.000 1.191 41 A HN -0.337 7.810 8.150 -0.005 0.000 0.511 42 P HA -0.062 4.355 4.420 -0.005 0.000 0.237 42 P C -0.003 177.292 177.300 -0.008 0.000 1.178 42 P CA -0.108 62.988 63.100 -0.007 0.000 0.766 42 P CB 0.557 32.252 31.700 -0.008 0.000 0.876 43 E N -1.526 118.668 120.200 -0.010 0.000 3.871 43 E HA -0.475 3.868 4.350 -0.011 0.000 0.251 43 E C 1.079 177.672 176.600 -0.012 0.000 1.260 43 E CA 1.589 57.983 56.400 -0.010 0.000 2.039 43 E CB -0.862 28.834 29.700 -0.008 0.000 1.794 43 E HN 0.165 8.452 8.360 -0.010 0.067 0.307 44 G N 0.704 109.498 108.800 -0.009 0.000 5.356 44 G HA2 -0.376 3.580 3.960 -0.007 0.000 0.309 44 G HA3 -0.376 3.577 3.960 -0.012 0.000 0.309 44 G C 0.253 175.148 174.900 -0.009 0.000 1.451 44 G CA 1.056 46.151 45.100 -0.009 0.000 0.978 44 G HN 0.042 8.327 8.290 -0.007 0.000 0.771 45 T N 0.622 115.168 114.554 -0.013 0.000 3.551 45 T HA -0.083 4.260 4.350 -0.010 0.000 0.294 45 T C -1.453 173.237 174.700 -0.018 0.000 0.865 45 T CA 0.318 62.411 62.100 -0.012 0.000 0.938 45 T CB 0.925 69.787 68.868 -0.009 0.000 1.139 45 T HN -0.102 8.099 8.240 -0.016 0.029 0.689 46 E N -0.256 119.930 120.200 -0.023 0.000 2.162 46 E HA -0.350 3.978 4.350 -0.038 0.000 0.209 46 E C -0.476 176.104 176.600 -0.033 0.000 1.328 46 E CA 1.161 57.542 56.400 -0.032 0.000 0.712 46 E CB -1.735 27.947 29.700 -0.031 0.000 1.107 46 E HN -0.047 8.299 8.360 -0.023 0.000 0.347 47 S N -1.609 114.073 115.700 -0.029 0.000 2.537 47 S HA -0.028 4.423 4.470 -0.030 0.000 0.246 47 S C -0.096 174.483 174.600 -0.035 0.000 1.036 47 S CA -0.471 57.712 58.200 -0.028 0.000 1.041 47 S CB 0.103 63.292 63.200 -0.017 0.000 0.799 47 S HN -0.187 8.097 8.310 -0.026 0.010 0.456 90 V N 1.529 121.339 119.914 -0.174 0.000 2.380 90 V HA -0.531 3.528 4.120 -0.102 0.000 0.251 90 V C 1.173 177.080 176.094 -0.311 0.000 1.063 90 V CA 2.582 64.704 62.300 -0.296 0.000 1.055 90 V CB -0.244 31.119 31.823 -0.767 0.000 0.657 90 V HN 0.167 8.254 8.190 -0.171 0.000 0.455 91 K N -1.707 118.523 120.400 -0.283 0.000 2.002 91 K HA -0.447 3.687 4.320 -0.309 0.000 0.209 91 K C 2.121 178.594 176.600 -0.212 0.000 1.048 91 K CA 3.995 60.131 56.287 -0.252 0.000 0.930 91 K CB -0.313 32.073 32.500 -0.191 0.000 0.714 91 K HN 0.216 8.301 8.250 -0.253 0.013 0.438 92 Q N -1.752 117.943 119.800 -0.175 0.000 2.020 92 Q HA -0.308 3.915 4.340 -0.196 0.000 0.202 92 Q C 2.378 178.304 176.000 -0.124 0.000 0.982 92 Q CA 2.957 58.667 55.803 -0.156 0.000 0.838 92 Q CB -0.183 28.483 28.738 -0.119 0.000 0.899 92 Q HN -0.161 8.013 8.270 -0.160 0.000 0.423 93 A N 0.215 122.976 122.820 -0.100 0.000 1.865 93 A HA -0.353 3.914 4.320 -0.088 0.000 0.217 93 A C 1.947 179.557 177.584 0.043 0.000 1.191 93 A CA 3.295 55.301 52.037 -0.052 0.000 0.623 93 A CB -0.571 18.388 19.000 -0.068 0.000 0.826 93 A HN 0.254 8.339 8.150 -0.109 0.000 0.444 94 L N -3.365 117.840 121.223 -0.030 0.000 2.189 94 L HA -0.294 4.019 4.340 -0.045 0.000 0.214 94 L C 2.391 179.131 176.870 -0.218 0.000 1.097 94 L CA 2.866 57.569 54.840 -0.228 0.000 0.764 94 L CB -1.422 40.225 42.059 -0.686 0.000 0.900 94 L HN 0.264 8.330 8.230 -0.089 0.111 0.436 95 R N -0.663 119.781 120.500 -0.094 0.000 2.070 95 R HA -0.432 4.127 4.340 0.364 0.000 0.227 95 R C 2.022 178.384 176.300 0.104 0.000 1.147 95 R CA 3.531 59.664 56.100 0.054 0.000 0.924 95 R CB -0.181 29.989 30.300 -0.216 0.000 0.827 95 R HN -0.310 7.727 8.270 -0.137 0.151 0.431 96 E N -1.067 119.156 120.200 0.037 0.000 2.023 96 E HA -0.355 4.037 4.350 0.069 0.000 0.196 96 E C 2.378 179.012 176.600 0.056 0.000 1.003 96 E CA 3.114 59.542 56.400 0.047 0.000 0.809 96 E CB -0.206 29.498 29.700 0.007 0.000 0.755 96 E HN -0.745 7.607 8.360 -0.013 0.000 0.449 97 A N -2.367 120.490 122.820 0.061 0.000 2.032 97 A HA -0.266 4.027 4.320 -0.046 0.000 0.221 97 A C 2.012 179.646 177.584 0.084 0.000 1.165 97 A CA 2.737 54.808 52.037 0.057 0.000 0.645 97 A CB -0.985 18.189 19.000 0.289 0.000 0.807 97 A HN 0.123 8.312 8.150 0.066 0.000 0.453 98 G N -0.936 107.944 108.800 0.134 0.000 2.587 98 G HA2 -0.444 3.666 3.960 0.250 0.000 0.217 98 G HA3 -0.444 3.785 3.960 0.330 -0.071 0.217 98 G C 1.261 176.313 174.900 0.254 0.000 1.240 98 G CA 2.163 47.407 45.100 0.239 0.000 0.794 98 G HN -0.263 7.860 8.290 0.105 0.231 0.580 99 D N 0.641 121.166 120.400 0.208 0.000 2.218 99 D HA -0.184 4.556 4.640 0.166 0.000 0.204 99 D C 1.065 177.448 176.300 0.138 0.000 0.976 99 D CA 2.520 56.617 54.000 0.162 0.000 0.853 99 D CB -0.118 40.759 40.800 0.129 0.000 0.939 99 D HN -0.750 7.747 8.370 0.212 0.000 0.481 100 E N -0.905 119.350 120.200 0.092 0.000 2.021 100 E HA -0.266 4.097 4.350 0.021 0.000 0.200 100 E C 2.033 178.706 176.600 0.121 0.000 1.015 100 E CA 2.460 58.872 56.400 0.020 0.000 0.824 100 E CB 0.136 29.759 29.700 -0.130 0.000 0.762 100 E HN -0.676 7.606 8.360 0.085 0.128 0.454 101 F N -2.965 117.101 119.950 0.194 0.000 2.154 101 F HA -0.286 4.462 4.527 0.368 0.000 0.301 101 F C 2.115 178.099 175.800 0.306 0.000 1.087 101 F CA 2.117 60.295 58.000 0.296 0.000 1.274 101 F CB 0.131 39.295 39.000 0.274 0.000 1.009 101 F HN -0.579 7.779 8.300 0.098 0.000 0.485 102 E N -1.009 119.429 120.200 0.397 0.000 2.323 102 E HA -0.182 4.315 4.350 0.245 0.000 0.313 102 E C -0.700 176.008 176.600 0.179 0.000 1.236 102 E CA 1.181 57.718 56.400 0.229 0.000 1.333 102 E CB -1.355 28.408 29.700 0.104 0.000 1.138 102 E HN -0.462 8.016 8.360 0.357 0.096 0.492 103 L N 1.039 122.389 121.223 0.212 0.000 2.203 103 L HA 0.074 4.472 4.340 0.096 0.000 0.254 103 L C -0.612 176.318 176.870 0.100 0.000 1.162 103 L CA 1.504 56.419 54.840 0.125 0.000 1.407 103 L CB 0.730 42.845 42.059 0.094 0.000 2.645 103 L HN 0.317 8.676 8.230 0.308 0.056 0.525 104 R N -0.768 119.805 120.500 0.122 0.000 2.175 104 R HA 0.013 4.319 4.340 -0.056 0.000 0.202 104 R C 1.412 177.621 176.300 -0.153 0.000 1.018 104 R CA 1.556 57.625 56.100 -0.051 0.000 1.029 104 R CB 1.601 31.822 30.300 -0.133 0.000 0.959 104 R HN -0.681 7.727 8.270 0.230 0.000 0.480 105 Y N 0.067 120.470 120.300 0.173 0.000 2.812 105 Y HA 0.147 4.738 4.550 0.068 0.000 0.354 105 Y C -0.622 175.374 175.900 0.160 0.000 1.276 105 Y CA -0.506 57.669 58.100 0.125 0.000 1.639 105 Y CB -1.725 36.785 38.460 0.084 0.000 1.741 105 Y HN -0.568 7.971 8.280 0.431 0.000 0.479 106 R N 1.328 121.939 120.500 0.185 0.000 2.127 106 R HA -0.209 4.254 4.340 0.204 0.000 0.217 106 R C 1.298 177.685 176.300 0.145 0.000 1.074 106 R CA 2.934 59.132 56.100 0.163 0.000 0.991 106 R CB 0.146 30.500 30.300 0.090 0.000 0.895 106 R HN -0.415 7.860 8.270 0.093 0.051 0.450 107 R N -2.346 118.217 120.500 0.105 0.000 2.127 107 R HA -0.111 4.269 4.340 0.067 0.000 0.217 107 R C 1.679 178.018 176.300 0.064 0.000 1.074 107 R CA 2.384 58.526 56.100 0.070 0.000 0.991 107 R CB -0.259 30.062 30.300 0.036 0.000 0.895 107 R HN 0.274 8.597 8.270 0.088 0.000 0.450 108 A N -1.792 121.081 122.820 0.088 0.000 2.066 108 A HA -0.123 4.155 4.320 -0.069 0.000 0.218 108 A C 0.221 177.726 177.584 -0.132 0.000 1.157 108 A CA 1.738 53.758 52.037 -0.027 0.000 0.670 108 A CB -0.350 18.664 19.000 0.023 0.000 0.804 108 A HN 0.181 8.419 8.150 0.147 0.000 0.453 109 F N -3.024 116.914 119.950 -0.019 0.000 2.798 109 F HA 0.152 4.605 4.527 -0.124 0.000 0.291 109 F C -0.847 174.946 175.800 -0.011 0.000 1.174 109 F CA -0.740 57.234 58.000 -0.043 0.000 1.392 109 F CB -0.365 38.645 39.000 0.016 0.000 0.966 109 F HN -0.671 7.745 8.300 0.245 0.030 0.509 110 S N -1.905 113.881 115.700 0.143 0.000 2.564 110 S HA 0.060 4.614 4.470 0.140 0.000 0.231 110 S C -0.283 174.357 174.600 0.067 0.000 1.067 110 S CA 1.288 59.554 58.200 0.110 0.000 0.908 110 S CB 1.855 65.099 63.200 0.074 0.000 0.809 110 S HN -0.733 7.515 8.310 0.058 0.098 0.491 111 D N 0.420 120.825 120.400 0.008 0.000 2.615 111 D HA 0.183 4.836 4.640 0.021 0.000 0.236 111 D C -0.082 176.184 176.300 -0.057 0.000 1.233 111 D CA 0.132 54.123 54.000 -0.014 0.000 0.829 111 D CB 0.281 41.058 40.800 -0.039 0.000 1.024 111 D HN -0.054 8.303 8.370 -0.022 0.000 0.490 112 L N -2.486 118.708 121.223 -0.049 0.000 2.425 112 L HA 0.063 4.263 4.340 -0.233 0.000 0.215 112 L C 0.149 177.116 176.870 0.162 0.000 1.065 112 L CA 1.032 55.783 54.840 -0.147 0.000 0.842 112 L CB 0.661 42.416 42.059 -0.507 0.000 1.033 112 L HN -0.440 7.724 8.230 0.027 0.083 0.474 113 T N -7.213 107.485 114.554 0.241 0.000 3.034 113 T HA -0.046 4.511 4.350 0.346 0.000 0.248 113 T C 1.752 176.550 174.700 0.163 0.000 1.040 113 T CA 1.502 63.763 62.100 0.268 0.000 1.107 113 T CB 0.512 69.531 68.868 0.250 0.000 0.932 113 T HN -0.434 7.926 8.240 0.201 0.000 0.474 114 S N 2.123 117.904 115.700 0.135 0.000 2.400 114 S HA -0.341 4.223 4.470 0.156 0.000 0.232 114 S C 1.356 176.048 174.600 0.153 0.000 1.025 114 S CA 2.828 61.110 58.200 0.136 0.000 0.993 114 S CB -0.197 63.062 63.200 0.099 0.000 0.808 114 S HN 0.032 8.418 8.310 0.127 0.000 0.478 115 Q N -1.754 118.117 119.800 0.118 0.000 2.217 115 Q HA 0.036 4.436 4.340 0.099 0.000 0.226 115 Q C -0.830 175.247 176.000 0.129 0.000 0.875 115 Q CA -0.405 55.457 55.803 0.099 0.000 0.974 115 Q CB 0.095 28.859 28.738 0.043 0.000 1.079 115 Q HN -0.077 8.233 8.270 0.105 0.024 0.463 116 L N -2.384 118.940 121.223 0.168 0.000 3.186 116 L HA 0.197 4.639 4.340 0.170 0.000 0.317 116 L C -1.159 175.804 176.870 0.154 0.000 1.296 116 L CA -0.540 54.407 54.840 0.178 0.000 0.870 116 L CB 0.525 42.721 42.059 0.227 0.000 1.302 116 L HN -0.503 7.645 8.230 0.173 0.186 0.590 117 H N 1.000 120.119 119.070 0.081 0.000 3.187 117 H HA -0.158 4.434 4.556 0.060 0.000 0.286 117 H C -0.119 175.248 175.328 0.065 0.000 0.944 117 H CA 1.234 57.319 56.048 0.062 0.000 1.429 117 H CB 0.181 29.970 29.762 0.044 0.000 1.483 117 H HN -0.256 8.195 8.280 0.286 0.000 0.555 118 I N 5.513 126.105 120.570 0.038 0.000 2.598 118 I HA -0.048 4.182 4.170 0.101 0.000 0.284 118 I C -0.458 175.716 176.117 0.094 0.000 1.140 118 I CA 0.856 62.194 61.300 0.063 0.000 1.420 118 I CB -1.242 36.754 38.000 -0.008 0.000 1.387 118 I HN 0.065 8.207 8.210 -0.114 0.000 0.553 119 T N 7.210 121.823 114.554 0.099 0.000 2.775 119 T HA 0.240 4.630 4.350 0.067 0.000 0.320 119 T C -2.196 172.549 174.700 0.075 0.000 1.597 119 T CA -1.845 60.306 62.100 0.085 0.000 1.022 119 T CB 0.072 69.000 68.868 0.099 0.000 1.485 119 T HN -0.179 8.127 8.240 0.110 0.000 0.494 120 P HA 0.111 4.566 4.420 0.058 0.000 0.235 120 P C -1.407 175.925 177.300 0.054 0.000 1.765 120 P CA 0.378 63.509 63.100 0.052 0.000 1.034 120 P CB -1.730 29.991 31.700 0.035 0.000 1.984 121 G N 2.625 111.464 108.800 0.066 0.000 3.302 121 G HA2 0.064 4.053 3.960 0.048 0.000 0.137 121 G HA3 0.064 4.053 3.960 0.048 0.000 0.137 121 G C -0.430 174.507 174.900 0.062 0.000 1.353 121 G CA 1.096 46.229 45.100 0.055 0.000 0.965 121 G HN 0.071 8.359 8.290 0.082 0.051 0.564 122 T N 1.261 115.852 114.554 0.063 0.000 2.810 122 T HA 0.215 4.581 4.350 0.026 0.000 0.277 122 T C -0.548 174.197 174.700 0.075 0.000 0.973 122 T CA -1.120 61.006 62.100 0.044 0.000 0.949 122 T CB 1.363 70.248 68.868 0.028 0.000 1.075 122 T HN -0.264 8.016 8.240 0.067 0.000 0.537 123 A N 0.935 123.746 122.820 -0.016 0.000 3.036 123 A HA -0.036 4.453 4.320 0.281 0.000 0.120 123 A C -0.362 176.675 177.584 -0.912 0.000 1.402 123 A CA 0.887 52.881 52.037 -0.073 0.000 1.949 123 A CB -0.179 18.924 19.000 0.171 0.000 1.896 123 A HN 0.020 8.115 8.150 -0.091 0.000 0.832 124 Y N 1.626 121.214 120.300 -1.186 0.000 2.448 124 Y HA -0.219 3.367 4.550 -1.607 0.000 0.289 124 Y C 0.878 176.560 175.900 -0.364 0.000 1.114 124 Y CA 2.244 59.624 58.100 -1.199 0.000 1.235 124 Y CB -0.050 37.742 38.460 -1.113 0.000 1.045 124 Y HN 0.134 8.130 8.280 -0.474 0.000 0.554 125 Q N 1.517 120.723 119.800 -0.990 0.000 1.917 125 Q HA -0.419 3.072 4.340 -1.414 0.000 0.205 125 Q C 2.208 177.934 176.000 -0.457 0.000 0.988 125 Q CA 3.563 58.838 55.803 -0.880 0.000 0.851 125 Q CB -0.501 28.017 28.738 -0.367 0.000 0.916 125 Q HN -0.296 7.693 8.270 -0.468 0.000 0.424 126 S N -1.035 114.528 115.700 -0.228 0.000 2.374 126 S HA -0.315 4.245 4.470 -0.108 -0.155 0.227 126 S C 1.846 176.419 174.600 -0.045 0.000 1.037 126 S CA 3.390 61.532 58.200 -0.096 0.000 1.024 126 S CB 0.046 63.243 63.200 -0.006 0.000 0.861 126 S HN -0.599 7.595 8.310 -0.193 0.000 0.456 127 F N 3.278 123.136 119.950 -0.153 0.000 2.046 127 F HA -0.486 4.110 4.527 0.114 0.000 0.297 127 F C 1.123 176.917 175.800 -0.010 0.000 1.123 127 F CA 3.589 61.586 58.000 -0.005 0.000 1.199 127 F CB -0.164 38.853 39.000 0.029 0.000 0.972 127 F HN -0.818 7.486 8.300 0.018 0.007 0.474 128 E N -1.366 118.781 120.200 -0.089 0.000 2.160 128 E HA -0.531 3.726 4.350 -0.156 0.000 0.195 128 E C 2.481 178.954 176.600 -0.211 0.000 0.991 128 E CA 3.095 59.407 56.400 -0.147 0.000 0.810 128 E CB -0.378 29.265 29.700 -0.097 0.000 0.742 128 E HN 0.073 8.298 8.360 -0.030 0.116 0.466 129 Q N -1.243 118.432 119.800 -0.210 0.000 2.119 129 Q HA -0.248 4.003 4.340 -0.147 0.000 0.201 129 Q C 2.546 178.438 176.000 -0.179 0.000 0.972 129 Q CA 2.962 58.665 55.803 -0.166 0.000 0.847 129 Q CB 0.095 28.750 28.738 -0.139 0.000 0.903 129 Q HN -0.384 7.631 8.270 -0.225 0.120 0.433 130 V N -0.834 118.964 119.914 -0.193 0.000 2.302 130 V HA -0.376 3.616 4.120 -0.214 0.000 0.243 130 V C 2.208 178.107 176.094 -0.325 0.000 1.036 130 V CA 3.724 65.898 62.300 -0.210 0.000 1.020 130 V CB -0.020 31.778 31.823 -0.042 0.000 0.657 130 V HN -0.271 7.690 8.190 -0.191 0.115 0.453 131 V N 0.833 120.534 119.914 -0.355 0.000 2.568 131 V HA -0.575 3.337 4.120 -0.347 0.000 0.253 131 V C 1.587 177.464 176.094 -0.361 0.000 1.072 131 V CA 4.709 66.787 62.300 -0.369 0.000 1.084 131 V CB -0.336 31.228 31.823 -0.432 0.000 0.676 131 V HN 0.392 8.308 8.190 -0.457 0.000 0.469 132 N N -2.308 116.242 118.700 -0.251 0.000 2.272 132 N HA -0.300 4.420 4.740 -0.034 0.000 0.185 132 N C 0.916 176.293 175.510 -0.222 0.000 1.014 132 N CA 2.882 55.845 53.050 -0.146 0.000 0.870 132 N CB 0.030 38.454 38.487 -0.106 0.000 0.975 132 N HN -0.379 7.824 8.380 -0.251 0.026 0.433 133 E N -1.612 118.405 120.200 -0.306 0.000 2.070 133 E HA -0.255 3.944 4.350 -0.251 0.000 0.197 133 E C 1.904 178.260 176.600 -0.406 0.000 1.004 133 E CA 2.437 58.638 56.400 -0.331 0.000 0.805 133 E CB 0.197 29.664 29.700 -0.388 0.000 0.744 133 E HN -0.132 7.883 8.360 -0.321 0.153 0.451 134 L N -2.780 118.089 121.223 -0.590 0.000 2.240 134 L HA -0.176 3.809 4.340 -0.592 0.000 0.211 134 L C 1.187 177.645 176.870 -0.687 0.000 1.106 134 L CA 1.886 56.285 54.840 -0.735 0.000 0.793 134 L CB 0.649 42.102 42.059 -1.010 0.000 0.927 134 L HN -0.724 7.122 8.230 -0.639 0.000 0.446 135 F N -4.760 115.000 119.950 -0.317 0.000 2.753 135 F HA 0.192 4.537 4.527 -0.303 0.000 0.314 135 F C -0.790 174.888 175.800 -0.203 0.000 1.215 135 F CA -1.107 56.728 58.000 -0.275 0.000 1.243 135 F CB -2.071 36.777 39.000 -0.253 0.000 1.400 135 F HN -0.548 7.321 8.300 -0.524 0.116 0.548 136 R N 0.957 121.417 120.500 -0.066 0.000 3.275 136 R HA -0.062 4.255 4.340 -0.037 0.000 0.154 136 R C 0.997 177.252 176.300 -0.075 0.000 0.843 136 R CA 1.190 57.250 56.100 -0.068 0.000 1.027 136 R CB 1.598 31.839 30.300 -0.098 0.000 1.423 136 R HN -0.601 7.530 8.270 -0.135 0.059 0.530 137 D N -0.296 120.046 120.400 -0.096 0.000 2.228 137 D HA -0.175 4.429 4.640 -0.060 0.000 0.203 137 D C -0.136 176.119 176.300 -0.076 0.000 0.988 137 D CA 1.964 55.917 54.000 -0.077 0.000 0.864 137 D CB 0.574 41.325 40.800 -0.081 0.000 0.928 137 D HN 0.118 8.414 8.370 -0.123 0.000 0.469 138 G N -2.644 106.090 108.800 -0.111 0.000 2.226 138 G HA2 -0.167 3.713 3.960 -0.134 0.000 0.257 138 G HA3 -0.167 3.727 3.960 -0.111 0.000 0.257 138 G C -1.977 172.734 174.900 -0.316 0.000 1.732 138 G CA -0.764 44.243 45.100 -0.154 0.000 0.914 138 G HN -0.420 7.765 8.290 -0.118 0.035 0.742 139 V N 1.832 121.419 119.914 -0.546 0.000 2.509 139 V HA -0.241 3.607 4.120 -0.452 0.000 0.297 139 V C -1.217 173.993 176.094 -1.474 0.000 1.014 139 V CA 1.385 63.105 62.300 -0.966 0.000 1.127 139 V CB -0.202 30.757 31.823 -1.440 0.000 0.925 139 V HN 0.233 8.144 8.190 -0.465 0.000 0.480 140 N N 3.857 122.009 118.700 -0.914 0.000 2.455 140 N HA 0.254 4.368 4.740 -1.043 0.000 0.278 140 N C -0.142 175.126 175.510 -0.403 0.000 1.291 140 N CA -1.495 51.129 53.050 -0.710 0.000 0.780 140 N CB 2.709 41.067 38.487 -0.215 0.000 1.520 140 N HN -0.510 7.559 8.380 -0.518 0.000 0.486 141 W N 1.184 122.505 121.300 0.036 0.000 2.318 141 W HA -0.405 4.240 4.660 -0.025 0.000 0.313 141 W C 1.640 178.168 176.519 0.015 0.000 1.221 141 W CA 3.872 61.247 57.345 0.050 0.000 1.266 141 W CB -0.016 29.581 29.460 0.228 0.000 1.150 141 W HN 0.521 8.637 8.180 -0.106 0.000 0.496 142 G N -2.302 106.720 108.800 0.370 0.000 2.433 142 G HA2 -0.417 3.882 3.960 0.564 0.000 0.216 142 G HA3 -0.417 3.869 3.960 0.542 0.000 0.216 142 G C 1.475 176.526 174.900 0.252 0.000 1.186 142 G CA 1.600 46.988 45.100 0.480 0.000 0.779 142 G HN 0.173 8.702 8.290 0.399 0.000 0.543 143 R N 0.947 121.442 120.500 -0.009 0.000 2.200 143 R HA -0.292 3.757 4.340 -0.484 0.000 0.234 143 R C 2.477 178.700 176.300 -0.129 0.000 1.127 143 R CA 2.418 58.348 56.100 -0.283 0.000 0.989 143 R CB -0.896 29.210 30.300 -0.323 0.000 0.869 143 R HN 0.060 8.333 8.270 0.004 0.000 0.459 144 I N -1.936 118.753 120.570 0.197 0.000 3.030 144 I HA -0.180 4.464 4.170 0.791 0.000 0.270 144 I C 1.532 178.029 176.117 0.633 0.000 1.211 144 I CA 2.608 64.206 61.300 0.497 0.000 1.479 144 I CB 0.266 38.439 38.000 0.290 0.000 1.105 144 I HN -0.080 8.051 8.210 0.132 0.158 0.447 145 V N 0.914 121.096 119.914 0.447 0.000 2.446 145 V HA -0.428 4.048 4.120 0.594 0.000 0.244 145 V C 0.764 177.159 176.094 0.501 0.000 1.039 145 V CA 3.975 66.563 62.300 0.480 0.000 1.045 145 V CB 0.203 32.170 31.823 0.241 0.000 0.681 145 V HN -0.368 7.901 8.190 0.344 0.128 0.459 146 A N 0.518 123.544 122.820 0.345 0.000 1.855 146 A HA -0.322 4.125 4.320 0.211 0.000 0.215 146 A C 1.120 178.710 177.584 0.010 0.000 1.191 146 A CA 3.393 55.367 52.037 -0.104 0.000 0.613 146 A CB -0.667 17.672 19.000 -1.102 0.000 0.829 146 A HN 0.342 8.697 8.150 0.342 0.000 0.442 147 F N -1.506 118.328 119.950 -0.193 0.000 2.192 147 F HA -0.411 4.059 4.527 -0.096 0.000 0.301 147 F C 1.074 176.999 175.800 0.209 0.000 1.079 147 F CA 2.753 60.689 58.000 -0.106 0.000 1.303 147 F CB -0.308 38.472 39.000 -0.366 0.000 1.024 147 F HN -0.688 7.587 8.300 -0.042 0.000 0.494 148 F N 0.179 119.733 119.950 -0.660 0.000 2.031 148 F HA -0.464 3.296 4.527 -1.278 0.000 0.295 148 F C 2.078 177.741 175.800 -0.228 0.000 1.133 148 F CA 3.604 61.191 58.000 -0.689 0.000 1.188 148 F CB -0.450 38.413 39.000 -0.228 0.000 0.974 148 F HN -0.850 7.414 8.300 0.133 0.116 0.473 149 S N -0.869 114.976 115.700 0.241 0.000 2.399 149 S HA -0.384 4.471 4.470 0.641 0.000 0.231 149 S C 2.161 177.017 174.600 0.425 0.000 1.022 149 S CA 3.472 61.922 58.200 0.417 0.000 0.983 149 S CB -0.113 63.341 63.200 0.424 0.000 0.803 149 S HN -0.560 7.898 8.310 0.246 0.000 0.480 150 F N 2.218 122.301 119.950 0.221 0.000 2.126 150 F HA -0.313 4.490 4.527 0.460 0.000 0.299 150 F C 1.581 177.517 175.800 0.226 0.000 1.096 150 F CA 2.073 60.230 58.000 0.262 0.000 1.255 150 F CB -0.163 38.877 39.000 0.066 0.000 0.997 150 F HN 0.373 8.805 8.300 0.387 0.099 0.479 151 G N -2.011 106.776 108.800 -0.022 0.000 2.404 151 G HA2 -0.341 3.556 3.960 -0.105 0.000 0.213 151 G HA3 -0.341 3.662 3.960 0.072 0.000 0.213 151 G C 1.068 175.998 174.900 0.051 0.000 1.189 151 G CA 1.445 46.534 45.100 -0.019 0.000 0.796 151 G HN -0.298 7.905 8.290 0.012 0.094 0.532 152 G N 0.656 109.569 108.800 0.189 0.000 2.475 152 G HA2 -0.376 3.700 3.960 0.193 0.000 0.220 152 G HA3 -0.376 3.792 3.960 0.346 0.000 0.220 152 G C 0.740 175.710 174.900 0.117 0.000 1.125 152 G CA 1.778 47.010 45.100 0.219 0.000 0.755 152 G HN -0.200 8.236 8.290 0.244 0.000 0.565 153 A N 1.433 124.327 122.820 0.123 0.000 1.930 153 A HA -0.211 4.135 4.320 0.043 0.000 0.215 153 A C 1.207 178.789 177.584 -0.003 0.000 1.176 153 A CA 2.521 54.596 52.037 0.065 0.000 0.632 153 A CB -0.298 18.770 19.000 0.114 0.000 0.819 153 A HN 0.082 8.312 8.150 0.175 0.025 0.445 154 L N -1.937 119.250 121.223 -0.060 0.000 2.127 154 L HA -0.312 3.990 4.340 -0.064 0.000 0.211 154 L C 1.410 178.226 176.870 -0.090 0.000 1.089 154 L CA 3.238 58.021 54.840 -0.095 0.000 0.757 154 L CB -0.205 41.755 42.059 -0.165 0.000 0.899 154 L HN -0.541 7.547 8.230 -0.093 0.086 0.434 155 C N -2.046 117.210 119.300 -0.074 0.000 2.505 155 C HA -0.389 3.975 4.460 -0.160 0.000 0.279 155 C C 1.672 176.589 174.990 -0.122 0.000 1.316 155 C CA 4.541 63.499 59.018 -0.101 0.000 1.720 155 C CB -0.127 27.603 27.740 -0.016 0.000 2.050 155 C HN -0.406 7.779 8.230 -0.038 0.023 0.493 156 V N 0.478 120.353 119.914 -0.065 0.000 2.453 156 V HA -0.575 3.489 4.120 -0.093 0.000 0.252 156 V C 1.991 177.990 176.094 -0.157 0.000 1.068 156 V CA 4.764 67.010 62.300 -0.091 0.000 1.070 156 V CB -0.348 31.450 31.823 -0.043 0.000 0.664 156 V HN -0.287 7.889 8.190 -0.023 0.000 0.461 157 E N -0.914 119.208 120.200 -0.130 0.000 2.042 157 E HA -0.236 4.042 4.350 -0.120 0.000 0.189 157 E C 1.974 178.460 176.600 -0.189 0.000 0.974 157 E CA 3.173 59.493 56.400 -0.132 0.000 0.806 157 E CB -0.152 29.496 29.700 -0.087 0.000 0.769 157 E HN -0.545 7.728 8.360 -0.101 0.026 0.451 158 S N 0.161 115.744 115.700 -0.196 0.000 2.387 158 S HA -0.331 4.032 4.470 -0.179 0.000 0.230 158 S C 1.964 176.360 174.600 -0.339 0.000 1.035 158 S CA 3.234 61.299 58.200 -0.225 0.000 1.014 158 S CB -0.116 62.956 63.200 -0.213 0.000 0.836 158 S HN -0.679 7.532 8.310 -0.166 0.000 0.466 159 V N -0.435 119.194 119.914 -0.474 0.000 2.788 159 V HA -0.381 3.412 4.120 -0.725 -0.109 0.251 159 V C 0.989 176.481 176.094 -1.002 0.000 1.068 159 V CA 3.799 65.620 62.300 -0.799 0.000 1.090 159 V CB -0.153 31.084 31.823 -0.977 0.000 0.710 159 V HN 0.100 8.035 8.190 -0.402 0.014 0.467 160 D N -0.508 119.505 120.400 -0.644 0.000 2.123 160 D HA -0.242 4.195 4.640 -0.338 0.000 0.196 160 D C 1.341 177.583 176.300 -0.097 0.000 0.992 160 D CA 2.690 56.492 54.000 -0.330 0.000 0.833 160 D CB 0.302 41.029 40.800 -0.122 0.000 0.954 160 D HN -0.583 7.373 8.370 -0.464 0.136 0.455 161 K N -2.154 118.163 120.400 -0.139 0.000 1.979 161 K HA -0.120 4.194 4.320 -0.011 0.000 0.213 161 K C 0.202 176.779 176.600 -0.038 0.000 1.036 161 K CA 2.322 58.574 56.287 -0.058 0.000 0.954 161 K CB 1.228 33.683 32.500 -0.075 0.000 0.743 161 K HN -0.579 7.545 8.250 -0.200 0.006 0.443 162 E N -4.393 115.746 120.200 -0.101 0.000 3.460 162 E HA 0.025 4.352 4.350 -0.038 0.000 0.136 162 E C -1.341 175.176 176.600 -0.138 0.000 0.957 162 E CA -0.065 56.289 56.400 -0.077 0.000 1.564 162 E CB 0.876 30.557 29.700 -0.032 0.000 1.067 162 E HN -0.343 7.930 8.360 -0.145 0.000 0.356 163 M N 0.449 119.915 119.600 -0.224 0.000 2.182 163 M HA 0.260 4.627 4.480 -0.188 0.000 0.285 163 M C -0.890 175.180 176.300 -0.384 0.000 0.956 163 M CA -0.387 54.770 55.300 -0.240 0.000 0.878 163 M CB 0.659 33.143 32.600 -0.193 0.000 1.373 163 M HN -0.353 7.771 8.290 -0.276 0.000 0.393 164 Q N 1.626 121.170 119.800 -0.427 0.000 2.217 164 Q HA 0.087 3.852 4.340 -0.959 0.000 0.226 164 Q C -0.624 175.095 176.000 -0.468 0.000 0.875 164 Q CA 0.745 56.127 55.803 -0.701 0.000 0.974 164 Q CB -0.434 27.840 28.738 -0.773 0.000 1.079 164 Q HN 0.315 8.398 8.270 -0.311 0.000 0.463 165 V N -2.741 116.981 119.914 -0.319 0.000 3.455 165 V HA 0.010 4.011 4.120 -0.199 0.000 0.250 165 V C 0.467 176.434 176.094 -0.212 0.000 1.230 165 V CA 0.874 63.046 62.300 -0.214 0.000 1.105 165 V CB 0.757 32.496 31.823 -0.139 0.000 0.850 165 V HN -0.089 7.823 8.190 -0.302 0.097 0.461 166 L N -1.867 119.213 121.223 -0.239 0.000 2.653 166 L HA 0.013 4.229 4.340 -0.206 0.000 0.232 166 L C 1.270 177.940 176.870 -0.333 0.000 1.169 166 L CA 0.602 55.297 54.840 -0.242 0.000 0.951 166 L CB -0.433 41.514 42.059 -0.186 0.000 1.181 166 L HN -0.455 7.620 8.230 -0.258 0.000 0.460 167 V N 0.767 120.475 119.914 -0.344 0.000 2.379 167 V HA -0.526 3.417 4.120 -0.295 0.000 0.245 167 V C 1.254 177.194 176.094 -0.257 0.000 1.044 167 V CA 5.124 67.227 62.300 -0.328 0.000 1.036 167 V CB -0.013 31.573 31.823 -0.395 0.000 0.664 167 V HN -0.099 7.789 8.190 -0.353 0.090 0.453 168 S N -1.967 113.598 115.700 -0.224 0.000 2.402 168 S HA -0.390 4.120 4.470 0.067 0.000 0.229 168 S C 1.657 176.110 174.600 -0.244 0.000 1.021 168 S CA 2.916 61.060 58.200 -0.094 0.000 0.974 168 S CB -0.523 62.655 63.200 -0.037 0.000 0.800 168 S HN 0.082 8.244 8.310 -0.246 0.000 0.484 169 R N 0.904 121.166 120.500 -0.396 0.000 2.070 169 R HA -0.288 3.805 4.340 -0.412 0.000 0.233 169 R C 2.393 177.688 176.300 -1.674 0.000 1.137 169 R CA 3.371 59.052 56.100 -0.698 0.000 0.945 169 R CB -0.121 29.885 30.300 -0.490 0.000 0.845 169 R HN -0.190 7.861 8.270 -0.334 0.019 0.430 170 I N -0.782 118.885 120.570 -1.503 0.000 2.202 170 I HA -0.457 2.279 4.170 -2.391 0.000 0.242 170 I C 1.469 177.165 176.117 -0.702 0.000 1.091 170 I CA 4.263 64.684 61.300 -1.465 0.000 1.368 170 I CB -0.138 37.396 38.000 -0.777 0.000 1.058 170 I HN -0.570 7.040 8.210 -1.002 0.000 0.410 171 A N -1.334 121.288 122.820 -0.329 0.000 1.978 171 A HA -0.391 3.966 4.320 0.062 0.000 0.220 171 A C 1.692 179.276 177.584 0.000 0.000 1.170 171 A CA 2.948 54.981 52.037 -0.007 0.000 0.636 171 A CB -0.876 18.269 19.000 0.242 0.000 0.810 171 A HN 0.043 8.002 8.150 -0.318 0.000 0.448 172 A N -1.101 121.635 122.820 -0.139 0.000 1.897 172 A HA -0.250 4.129 4.320 0.099 0.000 0.215 172 A C 1.657 179.352 177.584 0.186 0.000 1.181 172 A CA 2.950 54.998 52.037 0.018 0.000 0.620 172 A CB -0.560 18.434 19.000 -0.010 0.000 0.821 172 A HN -0.129 7.602 8.150 -0.335 0.218 0.443 173 W N -2.268 119.047 121.300 0.026 0.000 2.335 173 W HA -0.277 4.469 4.660 0.144 0.000 0.311 173 W C 2.371 179.045 176.519 0.259 0.000 1.213 173 W CA 1.887 59.278 57.345 0.076 0.000 1.274 173 W CB -1.059 28.266 29.460 -0.225 0.000 1.148 173 W HN -0.260 7.525 8.180 -0.529 0.077 0.498 174 M N -3.110 116.772 119.600 0.471 0.000 2.229 174 M HA -0.334 4.623 4.480 0.795 0.000 0.264 174 M C 2.267 178.856 176.300 0.482 0.000 1.063 174 M CA 3.422 59.094 55.300 0.621 0.000 1.114 174 M CB -0.827 32.112 32.600 0.565 0.000 1.387 174 M HN -0.393 8.052 8.290 0.258 0.000 0.420 175 A N -0.088 122.943 122.820 0.352 0.000 1.902 175 A HA -0.231 4.276 4.320 0.311 0.000 0.217 175 A C 1.947 179.696 177.584 0.274 0.000 1.181 175 A CA 2.960 55.171 52.037 0.290 0.000 0.623 175 A CB -0.704 18.424 19.000 0.214 0.000 0.818 175 A HN -0.170 8.040 8.150 0.297 0.118 0.443 176 T N 2.015 116.740 114.554 0.285 0.000 2.812 176 T HA -0.363 4.093 4.350 0.177 0.000 0.264 176 T C 1.548 176.394 174.700 0.244 0.000 1.042 176 T CA 5.584 67.825 62.100 0.234 0.000 1.140 176 T CB 0.049 69.055 68.868 0.231 0.000 0.870 176 T HN -0.211 8.220 8.240 0.318 0.000 0.445 177 Y N 2.522 122.937 120.300 0.191 0.000 2.241 177 Y HA -0.281 4.349 4.550 0.132 0.000 0.286 177 Y C 1.524 177.414 175.900 -0.016 0.000 1.166 177 Y CA 3.488 61.628 58.100 0.066 0.000 1.203 177 Y CB 0.062 38.496 38.460 -0.043 0.000 0.977 177 Y HN -0.440 8.128 8.280 0.481 0.000 0.529 178 L N -3.775 117.600 121.223 0.254 0.000 2.354 178 L HA -0.187 4.231 4.340 0.129 0.000 0.212 178 L C 1.662 178.635 176.870 0.173 0.000 1.091 178 L CA 1.628 56.590 54.840 0.203 0.000 0.828 178 L CB 0.220 42.466 42.059 0.312 0.000 0.973 178 L HN -0.408 7.900 8.230 0.324 0.116 0.461 179 N N 0.141 118.938 118.700 0.162 0.000 2.025 179 N HA -0.238 4.587 4.740 0.142 0.000 0.194 179 N C 0.586 176.132 175.510 0.060 0.000 1.044 179 N CA 2.948 56.070 53.050 0.120 0.000 0.851 179 N CB 0.235 38.787 38.487 0.109 0.000 1.036 179 N HN -0.162 8.224 8.380 0.190 0.108 0.422 180 D N -5.976 114.427 120.400 0.004 0.000 2.563 180 D HA 0.260 4.874 4.640 -0.043 0.000 0.256 180 D C -1.320 174.869 176.300 -0.186 0.000 1.400 180 D CA 0.649 54.605 54.000 -0.074 0.000 0.800 180 D CB 1.107 41.850 40.800 -0.095 0.000 1.145 180 D HN -0.595 7.784 8.370 0.016 0.000 0.501 181 H N -1.781 117.131 119.070 -0.264 0.000 2.469 181 H HA 0.151 4.446 4.556 -0.435 0.000 0.286 181 H C -1.325 173.643 175.328 -0.601 0.000 1.106 181 H CA -0.088 55.629 56.048 -0.552 0.000 1.055 181 H CB 0.528 29.705 29.762 -0.975 0.000 1.618 181 H HN -0.563 7.679 8.280 -0.063 0.000 0.559 182 L N -3.745 117.372 121.223 -0.176 0.000 2.203 182 L HA -0.020 4.203 4.340 -0.195 0.000 0.254 182 L C -0.504 176.360 176.870 -0.010 0.000 1.162 182 L CA 2.459 57.205 54.840 -0.158 0.000 1.407 182 L CB 0.763 42.684 42.059 -0.230 0.000 2.645 182 L HN -0.459 7.633 8.230 -0.109 0.073 0.525 183 E N 1.998 122.219 120.200 0.035 0.000 2.065 183 E HA -0.372 4.053 4.350 0.126 0.000 0.201 183 E C -1.077 175.550 176.600 0.046 0.000 1.016 183 E CA 5.444 61.895 56.400 0.086 0.000 0.818 183 E CB -1.929 27.835 29.700 0.107 0.000 0.749 183 E HN -0.323 8.053 8.360 0.027 0.000 0.453 184 P HA -0.245 4.165 4.420 -0.017 0.000 0.218 184 P C 1.103 178.400 177.300 -0.004 0.000 1.146 184 P CA 2.325 65.422 63.100 -0.005 0.000 0.820 184 P CB -0.298 31.390 31.700 -0.021 0.000 0.778 185 W N -1.915 119.288 121.300 -0.162 0.000 2.630 185 W HA -0.048 4.506 4.660 -0.177 0.000 0.271 185 W C 1.060 177.402 176.519 -0.296 0.000 1.244 185 W CA 2.761 59.976 57.345 -0.217 0.000 1.353 185 W CB 1.348 30.656 29.460 -0.253 0.000 1.080 185 W HN -0.112 7.983 8.180 0.141 0.169 0.594 186 I N -0.613 119.997 120.570 0.066 0.000 2.423 186 I HA -0.700 3.304 4.170 -0.278 0.000 0.254 186 I C 2.129 178.173 176.117 -0.122 0.000 1.151 186 I CA 3.816 65.045 61.300 -0.118 0.000 1.421 186 I CB -0.441 37.490 38.000 -0.115 0.000 1.079 186 I HN -0.035 8.142 8.210 0.108 0.097 0.431 187 Q N -3.148 116.580 119.800 -0.119 0.000 2.297 187 Q HA -0.238 4.098 4.340 -0.006 0.000 0.203 187 Q C 1.684 177.557 176.000 -0.212 0.000 0.931 187 Q CA 1.969 57.721 55.803 -0.086 0.000 0.885 187 Q CB 0.158 28.875 28.738 -0.035 0.000 0.991 187 Q HN -0.471 7.714 8.270 -0.098 0.026 0.498 188 E N -1.221 118.754 120.200 -0.375 0.000 2.160 188 E HA -0.266 3.909 4.350 -0.292 0.000 0.195 188 E C 1.502 177.758 176.600 -0.573 0.000 0.991 188 E CA 2.328 58.448 56.400 -0.466 0.000 0.810 188 E CB -0.248 29.090 29.700 -0.604 0.000 0.742 188 E HN -0.633 7.421 8.360 -0.368 0.086 0.466 189 N N -2.944 115.250 118.700 -0.842 0.000 2.251 189 N HA -0.074 4.339 4.740 -0.546 0.000 0.181 189 N C 0.460 175.920 175.510 -0.082 0.000 1.019 189 N CA 1.807 54.484 53.050 -0.621 0.000 0.862 189 N CB 1.636 39.476 38.487 -1.079 0.000 0.992 189 N HN -0.468 7.281 8.380 -1.022 0.018 0.429 190 G N -1.998 106.839 108.800 0.062 0.000 4.204 190 G HA2 0.037 4.023 3.960 0.043 0.000 0.198 190 G HA3 0.037 4.106 3.960 0.181 0.000 0.198 190 G C -1.608 173.392 174.900 0.167 0.000 0.964 190 G CA -0.098 45.082 45.100 0.133 0.000 0.914 190 G HN -0.649 7.637 8.290 -0.006 0.000 0.317 191 G N -0.544 108.466 108.800 0.350 0.000 2.326 191 G HA2 -0.048 4.178 3.960 0.262 0.000 0.413 191 G HA3 -0.048 4.021 3.960 0.182 0.000 0.413 191 G C -0.824 174.185 174.900 0.182 0.000 1.444 191 G CA -0.570 44.691 45.100 0.269 0.000 1.002 191 G HN -1.006 7.716 8.290 0.721 0.000 0.649 192 W N 1.050 122.508 121.300 0.263 0.000 2.325 192 W HA -0.359 4.410 4.660 0.181 0.000 0.299 192 W C 0.346 176.841 176.519 -0.041 0.000 1.215 192 W CA 3.631 61.067 57.345 0.152 0.000 1.244 192 W CB 0.128 29.716 29.460 0.213 0.000 1.140 192 W HN 0.448 8.846 8.180 0.362 0.000 0.523 193 D N -3.766 116.749 120.400 0.192 0.000 2.228 193 D HA -0.325 4.341 4.640 0.044 0.000 0.203 193 D C 1.641 177.876 176.300 -0.107 0.000 0.988 193 D CA 3.224 57.247 54.000 0.038 0.000 0.864 193 D CB -0.423 40.398 40.800 0.034 0.000 0.928 193 D HN 0.208 8.709 8.370 0.243 0.015 0.469 194 T N 1.563 115.991 114.554 -0.210 0.000 2.668 194 T HA -0.294 3.903 4.350 -0.255 0.000 0.258 194 T C 1.409 175.791 174.700 -0.530 0.000 1.051 194 T CA 4.265 66.147 62.100 -0.364 0.000 1.155 194 T CB -0.004 68.624 68.868 -0.400 0.000 0.864 194 T HN -0.007 7.963 8.240 -0.175 0.166 0.413 195 F N 3.054 122.453 119.950 -0.918 0.000 2.269 195 F HA -0.256 3.888 4.527 -0.638 0.000 0.301 195 F C 1.146 176.808 175.800 -0.230 0.000 1.082 195 F CA 3.065 60.699 58.000 -0.610 0.000 1.360 195 F CB 0.084 38.803 39.000 -0.468 0.000 1.041 195 F HN -0.778 6.875 8.300 -1.078 0.000 0.512 196 V N -1.742 117.957 119.914 -0.360 0.000 2.788 196 V HA -0.484 3.291 4.120 -0.575 0.000 0.251 196 V C 1.110 176.992 176.094 -0.353 0.000 1.068 196 V CA 3.911 65.998 62.300 -0.356 0.000 1.090 196 V CB 0.042 31.834 31.823 -0.050 0.000 0.710 196 V HN 0.358 8.452 8.190 -0.119 0.024 0.467 197 E N -0.454 119.545 120.200 -0.336 0.000 2.250 197 E HA -0.200 4.019 4.350 -0.218 0.000 0.192 197 E C 0.855 177.221 176.600 -0.390 0.000 0.986 197 E CA 1.841 58.072 56.400 -0.281 0.000 0.849 197 E CB 0.301 29.879 29.700 -0.205 0.000 0.797 197 E HN -0.536 7.403 8.360 -0.330 0.223 0.482 198 L N -3.571 117.275 121.223 -0.629 0.000 2.201 198 L HA -0.233 3.777 4.340 -0.549 0.000 0.212 198 L C 0.533 176.793 176.870 -1.016 0.000 1.105 198 L CA 2.716 57.015 54.840 -0.901 0.000 0.775 198 L CB 0.586 41.855 42.059 -1.317 0.000 0.913 198 L HN -0.147 7.690 8.230 -0.655 0.000 0.440 199 Y N -6.500 113.607 120.300 -0.321 0.000 2.731 199 Y HA 0.070 4.511 4.550 -0.182 0.000 0.269 199 Y C 0.314 176.050 175.900 -0.273 0.000 1.156 199 Y CA -1.189 56.742 58.100 -0.282 0.000 1.191 199 Y CB 0.849 39.105 38.460 -0.341 0.000 1.382 199 Y HN -0.920 6.840 8.280 -0.825 0.024 0.477 200 G N 1.210 109.861 108.800 -0.247 0.000 2.298 200 G HA2 -0.321 3.554 3.960 -0.141 0.000 0.284 200 G HA3 -0.321 3.569 3.960 -0.220 -0.062 0.284 200 G C -1.562 173.259 174.900 -0.132 0.000 1.013 200 G CA 1.515 46.503 45.100 -0.187 0.000 1.365 200 G HN -0.382 7.585 8.290 -0.439 0.059 0.415 201 N N 3.153 121.802 118.700 -0.086 0.000 3.106 201 N HA 0.005 4.701 4.740 -0.073 0.000 0.253 201 N C -0.647 174.835 175.510 -0.046 0.000 1.506 201 N CA -0.303 52.706 53.050 -0.068 0.000 0.876 201 N CB 3.306 41.754 38.487 -0.064 0.000 1.452 201 N HN -0.696 7.642 8.380 -0.071 0.000 0.542 202 N N -0.538 118.140 118.700 -0.038 0.000 2.106 202 N HA -0.111 4.613 4.740 -0.027 0.000 0.188 202 N C -0.097 175.401 175.510 -0.019 0.000 1.029 202 N CA 1.737 54.771 53.050 -0.027 0.000 0.848 202 N CB 0.362 38.835 38.487 -0.023 0.000 1.007 202 N HN 0.247 8.603 8.380 -0.040 0.000 0.423 203 A N -3.203 119.607 122.820 -0.017 0.000 1.790 203 A HA -0.018 4.298 4.320 -0.007 0.000 0.174 203 A C -0.725 176.855 177.584 -0.008 0.000 2.050 203 A CA -0.051 51.980 52.037 -0.009 0.000 1.622 203 A CB -0.179 18.818 19.000 -0.006 0.000 1.619 203 A HN -0.457 7.680 8.150 -0.022 0.000 0.280 204 A N -0.250 122.563 122.820 -0.012 0.000 1.833 204 A HA -0.007 4.310 4.320 -0.006 0.000 0.215 204 A C 0.330 177.906 177.584 -0.014 0.000 1.275 204 A CA 1.014 53.044 52.037 -0.011 0.000 0.602 204 A CB 0.195 19.187 19.000 -0.014 0.000 0.929 204 A HN -0.192 7.949 8.150 -0.015 0.000 0.462 205 A N -3.748 119.057 122.820 -0.026 0.000 2.798 205 A HA -0.265 4.024 4.320 -0.051 0.000 0.282 205 A C -0.977 176.589 177.584 -0.029 0.000 1.464 205 A CA 0.358 52.372 52.037 -0.039 0.000 0.844 205 A CB -1.268 17.706 19.000 -0.045 0.000 1.006 205 A HN -0.017 8.116 8.150 -0.028 0.000 0.577 206 E N -3.641 116.547 120.200 -0.019 0.000 2.230 206 E HA -0.449 3.895 4.350 -0.009 0.000 0.206 206 E C -0.682 175.920 176.600 0.003 0.000 1.309 206 E CA 0.197 56.590 56.400 -0.012 0.000 0.697 206 E CB -0.600 29.089 29.700 -0.019 0.000 1.146 206 E HN 0.317 8.633 8.360 -0.019 0.032 0.363 207 S N -0.603 115.103 115.700 0.010 0.000 2.563 207 S HA -0.198 4.298 4.470 0.044 0.000 0.269 207 S C 0.325 174.941 174.600 0.027 0.000 1.364 207 S CA 1.732 59.948 58.200 0.027 0.000 1.010 207 S CB 0.764 63.977 63.200 0.020 0.000 0.877 207 S HN -0.285 8.027 8.310 0.004 0.000 0.549 208 R N -1.063 119.460 120.500 0.038 0.000 2.559 208 R HA 0.196 4.550 4.340 0.024 0.000 0.448 208 R C -1.599 174.720 176.300 0.032 0.000 0.953 208 R CA -1.059 55.062 56.100 0.034 0.000 1.086 208 R CB -0.492 29.834 30.300 0.044 0.000 1.491 208 R HN 0.133 8.432 8.270 0.048 0.000 0.597 209 K N 2.733 123.149 120.400 0.026 0.000 2.021 209 K HA -0.199 4.134 4.320 0.022 0.000 0.238 209 K C 0.388 176.997 176.600 0.016 0.000 1.149 209 K CA -0.349 55.950 56.287 0.019 0.000 1.105 209 K CB -1.490 31.018 32.500 0.013 0.000 1.246 209 K HN -0.118 8.147 8.250 0.025 0.000 0.307 210 G N 5.132 113.943 108.800 0.018 0.000 2.321 210 G HA2 -0.385 3.834 3.960 0.016 0.000 0.287 210 G HA3 -0.385 3.583 3.960 0.012 0.000 0.287 210 G C 0.085 174.991 174.900 0.010 0.000 1.018 210 G CA 0.519 45.627 45.100 0.014 0.000 0.855 210 G HN 0.293 8.579 8.290 0.023 0.018 0.507 211 Q N -0.858 118.949 119.800 0.011 0.000 3.223 211 Q HA -0.203 4.140 4.340 0.006 0.000 0.299 211 Q C -1.001 174.998 176.000 -0.001 0.000 1.385 211 Q CA 0.471 56.278 55.803 0.006 0.000 0.942 211 Q CB -1.186 27.556 28.738 0.007 0.000 1.748 211 Q HN -0.383 7.769 8.270 0.015 0.127 0.523 212 E N -0.252 119.946 120.200 -0.005 0.000 3.351 212 E HA 0.195 4.530 4.350 -0.026 0.000 0.220 212 E C -0.354 176.230 176.600 -0.026 0.000 1.150 212 E CA -0.301 56.086 56.400 -0.022 0.000 1.359 212 E CB 0.080 29.765 29.700 -0.024 0.000 1.365 212 E HN -0.021 8.272 8.360 -0.000 0.067 0.434 213 R N -1.969 118.524 120.500 -0.010 0.000 2.320 213 R HA 0.119 4.468 4.340 0.015 0.000 0.193 213 R C 0.312 176.635 176.300 0.037 0.000 0.885 213 R CA 0.333 56.444 56.100 0.018 0.000 1.085 213 R CB 0.218 30.538 30.300 0.032 0.000 1.253 213 R HN -0.257 7.958 8.270 -0.008 0.051 0.636 214 L N -3.223 118.000 121.223 -0.000 0.000 1.871 214 L HA -0.126 4.210 4.340 -0.006 0.000 0.229 214 L C 1.096 177.843 176.870 -0.205 0.000 1.092 214 L CA 1.532 56.330 54.840 -0.070 0.000 0.815 214 L CB -0.696 41.318 42.059 -0.075 0.000 0.891 214 L HN -0.636 7.591 8.230 -0.005 0.000 0.428 215 E N -4.220 115.843 120.200 -0.227 0.000 2.735 215 E HA -0.543 3.408 4.350 -0.665 0.000 0.261 215 E C -0.981 175.407 176.600 -0.353 0.000 1.137 215 E CA 1.158 57.368 56.400 -0.316 0.000 0.754 215 E CB -1.518 28.210 29.700 0.048 0.000 1.352 215 E HN 0.361 8.609 8.360 -0.188 0.000 0.430 216 H N -3.489 115.191 119.070 -0.651 0.000 3.047 216 H HA -0.365 3.690 4.556 -0.834 0.000 0.263 216 H C -0.968 173.992 175.328 -0.613 0.000 1.168 216 H CA 1.045 56.686 56.048 -0.678 0.000 1.152 216 H CB -1.536 28.043 29.762 -0.306 0.000 1.278 216 H HN 0.334 8.274 8.280 -0.482 0.050 0.339 217 H N -7.228 111.864 119.070 0.036 0.000 2.845 217 H HA -0.454 4.150 4.556 0.080 0.000 0.296 217 H C -0.415 175.070 175.328 0.262 0.000 1.116 217 H CA 1.487 57.568 56.048 0.056 0.000 1.162 217 H CB -2.606 27.100 29.762 -0.092 0.000 1.338 217 H HN 0.319 8.090 8.280 -0.562 0.172 0.370 218 H N -4.292 114.892 119.070 0.191 0.000 5.515 218 H HA 0.059 4.771 4.556 0.259 0.000 0.710 218 H C -1.424 174.101 175.328 0.327 0.000 1.693 218 H CA 0.880 57.074 56.048 0.244 0.000 1.383 218 H CB -0.101 29.762 29.762 0.168 0.000 4.084 218 H HN -0.670 7.762 8.280 0.329 0.046 0.635 219 H N -3.235 115.960 119.070 0.208 0.000 3.297 219 H HA 0.143 4.752 4.556 0.089 0.000 0.254 219 H C -1.236 174.061 175.328 -0.052 0.000 1.192 219 H CA -0.308 55.795 56.048 0.091 0.000 1.058 219 H CB 0.928 30.742 29.762 0.087 0.000 1.777 219 H HN 0.078 8.695 8.280 0.562 0.000 0.696 220 H N -3.410 115.379 119.070 -0.467 0.000 2.510 220 H HA 0.155 4.030 4.556 -1.135 0.000 0.266 220 H C -0.974 173.998 175.328 -0.593 0.000 1.146 220 H CA -0.659 54.942 56.048 -0.744 0.000 0.993 220 H CB -0.356 29.179 29.762 -0.379 0.000 1.727 220 H HN -0.067 8.367 8.280 0.256 0.000 0.590 221 H N 0.000 118.818 119.070 -0.420 0.000 2.539 221 H HA 0.000 4.369 4.556 -0.312 0.000 0.296 221 H CA 0.000 55.797 56.048 -0.419 0.000 1.023 221 H CB 0.000 29.595 29.762 -0.279 0.000 1.292 221 H HN 0.000 7.987 8.280 -0.386 0.061 0.496