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 2l1c_1_A DATA FIRST_RESID 17 DATA SEQUENCE GQLGGEEWTR HGSFVNKPTR GWLHPNDKVM GPGVSYLVRY MGCVEVLQSM DATA SEQUENCE RALDFNTRTQ VTREAISLVC EAVPGAKGAT RRRKPCSRPL SSILGRSNLK DATA SEQUENCE FAGMPITLTV STSSLNLMAA DCKQIIANHH MQSISFASGG DPDTAEYVAY DATA SEQUENCE VAKDPVNQRA CHILECPEGL AQDVISTIGQ AFELRFKQYL R 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 17 G HA2 0.000 nan 3.960 nan 0.000 0.244 17 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 17 G C 0.000 174.902 174.900 0.004 0.000 0.946 17 G CA 0.000 45.102 45.100 0.003 0.000 0.502 18 Q N 1.269 121.071 119.800 0.002 0.000 2.397 18 Q HA 0.251 4.592 4.340 0.001 0.000 0.260 18 Q C -0.996 175.000 176.000 -0.007 0.000 1.002 18 Q CA 0.002 55.805 55.803 -0.000 0.000 0.716 18 Q CB 0.212 28.953 28.738 0.004 0.000 1.258 18 Q HN 0.059 8.330 8.270 0.001 0.000 0.477 19 L N 4.622 125.839 121.223 -0.011 0.000 2.384 19 L HA 0.279 4.609 4.340 -0.017 0.000 0.261 19 L C 0.328 177.183 176.870 -0.025 0.000 1.024 19 L CA -0.314 54.517 54.840 -0.016 0.000 0.899 19 L CB -1.456 40.596 42.059 -0.012 0.000 1.243 19 L HN 0.344 8.569 8.230 -0.008 0.000 0.449 20 G N 2.380 111.158 108.800 -0.037 0.000 2.716 20 G HA2 -0.205 3.714 3.960 -0.069 0.000 0.686 20 G HA3 -0.205 3.725 3.960 -0.050 0.000 0.686 20 G C -1.580 173.280 174.900 -0.067 0.000 1.337 20 G CA -0.358 44.709 45.100 -0.056 0.000 0.829 20 G HN 0.085 8.354 8.290 -0.035 0.000 0.599 21 G N -0.185 108.549 108.800 -0.110 0.000 3.454 21 G HA2 0.174 4.088 3.960 -0.077 0.000 0.162 21 G HA3 0.174 4.050 3.960 -0.140 0.000 0.162 21 G C -1.533 173.242 174.900 -0.208 0.000 1.223 21 G CA 0.133 45.156 45.100 -0.130 0.000 1.394 21 G HN -0.095 8.117 8.290 -0.130 0.000 0.709 22 E N 1.374 121.330 120.200 -0.407 0.000 2.275 22 E HA 0.192 4.322 4.350 -0.367 0.000 0.270 22 E C -1.772 174.257 176.600 -0.952 0.000 0.882 22 E CA -0.413 55.628 56.400 -0.597 0.000 0.758 22 E CB 1.963 31.312 29.700 -0.586 0.000 1.195 22 E HN 0.060 8.136 8.360 -0.473 0.000 0.419 23 E N 4.676 124.522 120.200 -0.590 0.000 2.081 23 E HA 0.156 4.181 4.350 -0.543 0.000 0.281 23 E C -0.225 176.189 176.600 -0.310 0.000 0.986 23 E CA -0.848 55.283 56.400 -0.447 0.000 0.796 23 E CB 0.590 30.173 29.700 -0.195 0.000 1.085 23 E HN 0.317 8.447 8.360 -0.384 0.000 0.398 24 W N 5.241 126.558 121.300 0.029 0.000 2.072 24 W HA 0.195 4.878 4.660 0.039 0.000 0.413 24 W C -0.581 175.958 176.519 0.034 0.000 0.865 24 W CA -1.373 55.992 57.345 0.033 0.000 1.579 24 W CB -1.391 28.086 29.460 0.028 0.000 1.720 24 W HN 0.407 8.512 8.180 -0.126 0.000 0.301 25 T N 2.931 117.602 114.554 0.194 0.000 3.262 25 T HA 0.163 4.602 4.350 0.148 0.000 0.336 25 T C -1.033 173.754 174.700 0.144 0.000 0.911 25 T CA 0.563 62.750 62.100 0.145 0.000 1.154 25 T CB 0.919 69.847 68.868 0.100 0.000 1.007 25 T HN -0.366 7.968 8.240 0.156 0.000 0.488 26 R N 7.383 127.973 120.500 0.150 0.000 2.287 26 R HA 0.192 4.627 4.340 0.159 0.000 0.327 26 R C -0.805 175.574 176.300 0.131 0.000 1.109 26 R CA -0.009 56.178 56.100 0.145 0.000 1.013 26 R CB -0.050 30.344 30.300 0.156 0.000 1.126 26 R HN 0.255 8.611 8.270 0.143 0.000 0.503 27 H N 3.973 123.028 119.070 -0.025 0.000 3.181 27 H HA 0.186 4.690 4.556 -0.087 0.000 0.331 27 H C -1.171 174.117 175.328 -0.068 0.000 0.988 27 H CA 0.379 56.394 56.048 -0.056 0.000 1.449 27 H CB 1.387 31.141 29.762 -0.014 0.000 1.749 27 H HN 0.165 8.526 8.280 0.134 0.000 0.501 28 G N 4.903 113.495 108.800 -0.347 0.000 3.919 28 G HA2 0.070 3.823 3.960 -0.346 0.000 0.284 28 G HA3 0.070 3.930 3.960 -0.168 0.000 0.284 28 G C -1.824 172.957 174.900 -0.199 0.000 2.841 28 G CA 0.259 45.185 45.100 -0.289 0.000 0.605 28 G HN 0.138 8.262 8.290 -0.277 0.000 0.337 29 S N 1.665 117.242 115.700 -0.204 0.000 2.565 29 S HA 0.103 4.563 4.470 -0.018 0.000 0.274 29 S C -0.302 174.315 174.600 0.029 0.000 1.309 29 S CA 0.013 58.179 58.200 -0.057 0.000 1.043 29 S CB 0.838 64.007 63.200 -0.052 0.000 0.939 29 S HN -0.226 7.868 8.310 -0.360 0.000 0.504 30 F N 6.314 126.240 119.950 -0.040 0.000 2.421 30 F HA 0.059 4.576 4.527 -0.016 0.000 0.358 30 F C -1.137 174.651 175.800 -0.020 0.000 1.115 30 F CA -0.233 57.756 58.000 -0.018 0.000 1.160 30 F CB 0.799 39.800 39.000 0.001 0.000 1.123 30 F HN 0.105 8.537 8.300 0.220 0.000 0.508 31 V N 8.838 128.432 119.914 -0.533 0.000 2.407 31 V HA 0.208 4.180 4.120 -0.246 0.000 0.291 31 V C -1.841 173.928 176.094 -0.542 0.000 1.018 31 V CA -0.423 61.644 62.300 -0.388 0.000 0.842 31 V CB 0.888 32.595 31.823 -0.194 0.000 0.996 31 V HN 0.244 8.085 8.190 -0.581 0.000 0.426 32 N N 8.313 126.777 118.700 -0.393 0.000 2.537 32 N HA 0.049 4.666 4.740 -0.204 0.000 0.281 32 N C -2.282 173.210 175.510 -0.028 0.000 1.097 32 N CA 0.212 53.117 53.050 -0.243 0.000 0.964 32 N CB 1.563 39.861 38.487 -0.315 0.000 1.588 32 N HN 0.310 8.541 8.380 -0.249 0.000 0.511 33 K N 5.095 125.501 120.400 0.010 0.000 2.478 33 K HA 0.549 4.959 4.320 0.149 0.000 0.236 33 K C -1.599 175.057 176.600 0.092 0.000 1.021 33 K CA -3.065 53.272 56.287 0.083 0.000 1.010 33 K CB 0.372 32.905 32.500 0.055 0.000 1.331 33 K HN 0.305 8.541 8.250 -0.022 0.000 0.470 34 P HA 0.170 4.633 4.420 0.073 0.000 0.224 34 P C -0.858 176.484 177.300 0.070 0.000 1.157 34 P CA 0.646 63.817 63.100 0.117 0.000 0.799 34 P CB 0.702 32.507 31.700 0.174 0.000 0.809 35 T N -2.812 111.811 114.554 0.115 0.000 2.774 35 T HA 0.012 4.342 4.350 -0.034 0.000 0.325 35 T C -1.724 173.021 174.700 0.075 0.000 1.753 35 T CA -0.229 61.849 62.100 -0.036 0.000 1.024 35 T CB 1.019 69.717 68.868 -0.284 0.000 1.628 35 T HN -0.903 7.457 8.240 0.254 0.032 0.497 36 R N 0.578 121.036 120.500 -0.069 0.000 2.572 36 R HA 0.230 4.868 4.340 0.497 0.000 0.370 36 R C 0.277 176.494 176.300 -0.138 0.000 1.005 36 R CA -0.351 55.805 56.100 0.093 0.000 1.146 36 R CB 1.235 31.620 30.300 0.142 0.000 1.390 36 R HN 0.336 8.527 8.270 -0.131 0.000 0.553 37 G N 0.768 109.284 108.800 -0.474 0.000 3.401 37 G HA2 -0.032 3.828 3.960 -0.166 0.000 0.251 37 G HA3 -0.032 3.718 3.960 -0.349 0.000 0.251 37 G C -1.135 173.508 174.900 -0.430 0.000 0.960 37 G CA 0.007 44.888 45.100 -0.364 0.000 1.900 37 G HN -0.289 7.600 8.290 -0.572 0.058 0.645 38 W N 0.924 122.231 121.300 0.013 0.000 2.767 38 W HA 0.119 4.791 4.660 0.020 0.000 0.375 38 W C -1.020 175.513 176.519 0.024 0.000 1.461 38 W CA -1.341 56.015 57.345 0.018 0.000 1.415 38 W CB 1.456 30.927 29.460 0.018 0.000 1.581 38 W HN -0.434 7.719 8.180 0.085 0.078 0.672 39 L N -3.793 117.617 121.223 0.313 0.000 2.472 39 L HA 0.442 4.883 4.340 0.169 0.000 0.256 39 L C 0.690 177.680 176.870 0.200 0.000 1.111 39 L CA -1.005 53.958 54.840 0.205 0.000 0.800 39 L CB 0.698 42.858 42.059 0.168 0.000 1.286 39 L HN -0.177 8.284 8.230 0.383 0.000 0.479 40 H N 0.256 119.374 119.070 0.080 0.000 2.265 40 H HA -0.291 4.296 4.556 0.051 0.000 0.293 40 H C -0.272 175.075 175.328 0.031 0.000 1.089 40 H CA 6.070 62.147 56.048 0.049 0.000 1.244 40 H CB -1.401 28.378 29.762 0.028 0.000 1.355 40 H HN 0.559 8.991 8.280 0.252 0.000 0.485 41 P HA -0.162 4.323 4.420 0.109 0.000 0.216 41 P C 1.588 178.903 177.300 0.024 0.000 1.153 41 P CA 2.985 66.158 63.100 0.123 0.000 0.844 41 P CB -0.141 31.646 31.700 0.145 0.000 0.787 42 N N -1.513 117.213 118.700 0.043 0.000 2.166 42 N HA -0.382 4.289 4.740 -0.114 0.000 0.186 42 N C 1.550 176.933 175.510 -0.213 0.000 1.019 42 N CA 3.436 56.453 53.050 -0.054 0.000 0.856 42 N CB -0.042 38.514 38.487 0.115 0.000 0.993 42 N HN -0.102 8.342 8.380 0.106 0.000 0.426 43 D N -0.613 119.767 120.400 -0.033 0.000 2.104 43 D HA -0.349 4.272 4.640 -0.031 0.000 0.194 43 D C 2.143 178.362 176.300 -0.134 0.000 0.994 43 D CA 3.730 57.710 54.000 -0.032 0.000 0.830 43 D CB 0.129 40.968 40.800 0.065 0.000 0.959 43 D HN 0.435 8.733 8.370 0.073 0.116 0.452 44 K N -2.213 118.112 120.400 -0.126 0.000 2.021 44 K HA -0.169 4.094 4.320 -0.095 0.000 0.205 44 K C 2.172 178.706 176.600 -0.110 0.000 1.047 44 K CA 2.576 58.796 56.287 -0.112 0.000 0.943 44 K CB -0.006 32.424 32.500 -0.117 0.000 0.725 44 K HN -0.809 7.367 8.250 -0.113 0.005 0.439 45 V N -4.903 114.941 119.914 -0.117 0.000 2.453 45 V HA -0.301 3.964 4.120 -0.064 -0.183 0.252 45 V C 1.252 177.252 176.094 -0.156 0.000 1.068 45 V CA 2.505 64.740 62.300 -0.107 0.000 1.070 45 V CB -0.357 31.413 31.823 -0.089 0.000 0.664 45 V HN 0.098 8.224 8.190 -0.106 0.000 0.461 46 M N -3.407 116.024 119.600 -0.280 0.000 2.435 46 M HA 0.018 4.364 4.480 -0.223 0.000 0.265 46 M C 1.678 177.915 176.300 -0.105 0.000 1.104 46 M CA 0.937 56.047 55.300 -0.316 0.000 1.140 46 M CB -1.044 31.061 32.600 -0.825 0.000 1.372 46 M HN 0.046 8.111 8.290 -0.342 0.020 0.456 47 G N -0.637 108.105 108.800 -0.097 0.000 2.992 47 G HA2 0.302 4.279 3.960 0.029 0.000 0.201 47 G HA3 0.302 4.302 3.960 -0.020 -0.053 0.201 47 G C -1.819 173.090 174.900 0.014 0.000 2.057 47 G CA -0.073 45.020 45.100 -0.010 0.000 0.800 47 G HN -0.863 7.212 8.290 -0.155 0.122 0.700 48 P HA -0.000 4.428 4.420 0.015 0.000 0.213 48 P C -0.982 176.314 177.300 -0.007 0.000 1.169 48 P CA 0.654 63.752 63.100 -0.003 0.000 0.885 48 P CB 0.772 32.461 31.700 -0.018 0.000 0.779 49 G N -3.704 105.076 108.800 -0.034 0.000 2.521 49 G HA2 -0.085 3.945 3.960 -0.038 0.000 0.589 49 G HA3 -0.085 3.869 3.960 -0.015 -0.003 0.589 49 G C -1.643 173.224 174.900 -0.055 0.000 1.501 49 G CA -0.864 44.216 45.100 -0.033 0.000 0.887 49 G HN -0.596 7.627 8.290 -0.051 0.037 0.654 50 V N -1.922 117.957 119.914 -0.059 0.000 3.051 50 V HA 0.187 4.215 4.120 -0.154 0.000 0.306 50 V C -1.777 174.219 176.094 -0.165 0.000 1.083 50 V CA -1.166 61.054 62.300 -0.133 0.000 1.104 50 V CB 0.729 32.471 31.823 -0.134 0.000 1.027 50 V HN -0.450 7.722 8.190 -0.030 0.000 0.483 51 S N -0.144 115.358 115.700 -0.329 0.000 2.571 51 S HA 0.738 5.422 4.470 -0.072 -0.258 0.284 51 S C -0.900 173.463 174.600 -0.395 0.000 1.128 51 S CA -1.235 56.832 58.200 -0.222 0.000 0.970 51 S CB 3.256 66.392 63.200 -0.106 0.000 1.039 51 S HN -0.138 7.923 8.310 -0.416 0.000 0.485 52 Y N 1.887 122.185 120.300 -0.003 0.000 2.562 52 Y HA 0.225 4.780 4.550 0.008 0.000 0.343 52 Y C -0.989 174.911 175.900 0.001 0.000 1.025 52 Y CA -1.566 56.533 58.100 -0.001 0.000 1.082 52 Y CB 3.208 41.662 38.460 -0.010 0.000 1.264 52 Y HN 0.451 8.726 8.280 0.182 0.114 0.478 53 L N 3.239 124.560 121.223 0.163 0.000 2.281 53 L HA 0.253 4.643 4.340 0.083 0.000 0.285 53 L C -1.481 175.445 176.870 0.094 0.000 1.074 53 L CA 0.099 54.998 54.840 0.099 0.000 0.817 53 L CB 0.590 42.691 42.059 0.070 0.000 1.168 53 L HN 0.446 8.787 8.230 0.185 0.000 0.434 54 V N 1.551 121.515 119.914 0.082 0.000 3.130 54 V HA 0.708 4.978 4.120 0.070 -0.107 0.310 54 V C -2.622 173.525 176.094 0.088 0.000 1.158 54 V CA -2.959 59.386 62.300 0.076 0.000 1.029 54 V CB 4.549 36.409 31.823 0.061 0.000 1.057 54 V HN 0.632 8.869 8.190 0.079 0.000 0.436 55 R N 1.434 121.995 120.500 0.102 0.000 2.476 55 R HA 0.446 4.999 4.340 0.137 -0.130 0.305 55 R C -1.137 175.269 176.300 0.177 0.000 0.965 55 R CA -1.598 54.582 56.100 0.134 0.000 0.867 55 R CB 3.381 33.755 30.300 0.123 0.000 1.176 55 R HN 0.007 8.407 8.270 0.097 -0.072 0.447 56 Y N 9.511 129.859 120.300 0.081 0.000 2.713 56 Y HA -0.035 4.677 4.550 0.091 -0.108 0.341 56 Y C -2.145 173.803 175.900 0.079 0.000 1.167 56 Y CA 0.568 58.712 58.100 0.073 0.000 1.503 56 Y CB 0.240 38.720 38.460 0.033 0.000 1.199 56 Y HN 1.005 9.367 8.280 0.286 0.090 0.525 57 M N 10.666 130.496 119.600 0.383 0.000 1.980 57 M HA 0.196 4.816 4.480 0.232 0.000 0.282 57 M C -1.261 175.183 176.300 0.239 0.000 0.878 57 M CA -0.742 54.711 55.300 0.254 0.000 0.900 57 M CB 1.537 34.233 32.600 0.159 0.000 1.577 57 M HN 0.666 9.113 8.290 0.262 0.000 0.396 58 G N 6.597 115.563 108.800 0.277 0.000 2.755 58 G HA2 -0.337 3.718 3.960 0.158 0.000 0.686 58 G HA3 -0.337 3.696 3.960 0.122 0.000 0.686 58 G C -2.259 172.827 174.900 0.310 0.000 1.427 58 G CA 0.067 45.291 45.100 0.208 0.000 0.873 58 G HN 0.616 9.029 8.290 0.289 0.050 0.580 59 C N -1.365 118.081 119.300 0.243 0.000 2.701 59 C HA 0.985 5.801 4.460 0.252 -0.205 0.336 59 C C -1.762 173.314 174.990 0.143 0.000 1.123 59 C CA -2.211 56.966 59.018 0.265 0.000 1.326 59 C CB 3.254 31.227 27.740 0.387 0.000 1.833 59 C HN -0.084 8.247 8.230 0.169 0.000 0.473 60 V N 3.503 123.466 119.914 0.082 0.000 2.448 60 V HA 0.254 4.475 4.120 0.025 -0.086 0.295 60 V C -1.176 174.916 176.094 -0.005 0.000 1.025 60 V CA -0.528 61.781 62.300 0.014 0.000 0.859 60 V CB 2.425 34.224 31.823 -0.040 0.000 0.988 60 V HN 0.857 9.093 8.190 0.077 0.000 0.431 61 E N 7.855 128.058 120.200 0.005 0.000 2.052 61 E HA 0.252 4.731 4.350 0.007 -0.125 0.283 61 E C -1.435 175.145 176.600 -0.034 0.000 1.071 61 E CA -0.553 55.847 56.400 0.001 0.000 0.851 61 E CB 0.604 30.319 29.700 0.024 0.000 1.066 61 E HN 0.683 9.049 8.360 0.009 0.000 0.396 62 V N 4.682 124.560 119.914 -0.060 0.000 2.347 62 V HA 0.192 4.355 4.120 -0.069 -0.085 0.280 62 V C -1.947 174.126 176.094 -0.036 0.000 1.021 62 V CA -2.194 60.060 62.300 -0.076 0.000 0.847 62 V CB 1.054 32.783 31.823 -0.157 0.000 0.990 62 V HN 0.310 8.365 8.190 -0.063 0.097 0.444 63 L N 6.452 127.663 121.223 -0.020 0.000 2.737 63 L HA 0.188 4.531 4.340 0.005 0.000 0.236 63 L C -1.041 175.836 176.870 0.011 0.000 1.219 63 L CA -0.874 53.966 54.840 -0.000 0.000 1.021 63 L CB -1.717 40.343 42.059 0.001 0.000 1.291 63 L HN 0.315 8.623 8.230 -0.026 -0.093 0.470 64 Q N -2.280 117.530 119.800 0.017 0.000 2.668 64 Q HA 0.286 4.651 4.340 0.041 0.000 0.298 64 Q C -1.405 174.657 176.000 0.103 0.000 1.071 64 Q CA -1.641 54.189 55.803 0.045 0.000 0.789 64 Q CB 3.564 32.324 28.738 0.036 0.000 1.497 64 Q HN -0.528 7.630 8.270 0.002 0.113 0.460 65 S N -2.641 113.138 115.700 0.133 0.000 2.697 65 S HA 0.368 5.031 4.470 0.322 0.000 0.289 65 S C 0.202 174.909 174.600 0.177 0.000 1.149 65 S CA -1.616 56.697 58.200 0.187 0.000 0.850 65 S CB 2.661 65.913 63.200 0.086 0.000 1.151 65 S HN -0.069 8.301 8.310 0.100 0.000 0.491 66 M N 0.782 120.406 119.600 0.040 0.000 2.159 66 M HA -0.304 4.208 4.480 0.054 0.000 0.263 66 M C 0.537 176.834 176.300 -0.005 0.000 1.063 66 M CA 3.420 58.680 55.300 -0.067 0.000 1.110 66 M CB -0.415 31.980 32.600 -0.341 0.000 1.374 66 M HN 0.580 8.838 8.290 -0.053 0.000 0.411 67 R N -3.896 116.600 120.500 -0.007 0.000 2.117 67 R HA -0.204 4.138 4.340 0.003 0.000 0.243 67 R C 0.945 177.263 176.300 0.031 0.000 1.143 67 R CA 1.809 57.914 56.100 0.010 0.000 0.968 67 R CB -0.585 29.720 30.300 0.009 0.000 0.863 67 R HN -0.055 8.197 8.270 -0.023 0.004 0.444 68 A N -2.857 119.990 122.820 0.046 0.000 2.169 68 A HA 0.114 4.458 4.320 0.039 0.000 0.210 68 A C 0.174 177.791 177.584 0.056 0.000 1.168 68 A CA 0.156 52.221 52.037 0.047 0.000 0.813 68 A CB 1.463 20.490 19.000 0.045 0.000 0.861 68 A HN -0.423 7.604 8.150 0.055 0.156 0.481 69 L N -1.289 119.982 121.223 0.079 0.000 2.375 69 L HA 0.094 4.466 4.340 0.053 0.000 0.268 69 L C -0.975 175.940 176.870 0.074 0.000 1.058 69 L CA -0.844 54.044 54.840 0.080 0.000 0.803 69 L CB 1.082 43.223 42.059 0.137 0.000 1.212 69 L HN -0.596 7.573 8.230 0.090 0.114 0.451 70 D N 0.604 121.024 120.400 0.033 0.000 2.339 70 D HA 0.025 4.726 4.640 0.102 0.000 0.245 70 D C 1.443 177.739 176.300 -0.007 0.000 1.115 70 D CA -0.620 53.387 54.000 0.011 0.000 0.917 70 D CB 1.857 42.591 40.800 -0.111 0.000 1.192 70 D HN -0.159 8.216 8.370 0.008 0.000 0.428 71 F N 2.450 122.421 119.950 0.034 0.000 2.120 71 F HA -0.386 4.163 4.527 0.036 0.000 0.300 71 F C 0.834 176.660 175.800 0.042 0.000 1.095 71 F CA 2.420 60.440 58.000 0.034 0.000 1.249 71 F CB -0.341 38.671 39.000 0.021 0.000 0.995 71 F HN 0.233 8.787 8.300 0.423 0.000 0.480 72 N N -1.095 117.132 118.700 -0.787 0.000 2.305 72 N HA -0.136 4.495 4.740 -0.181 0.000 0.179 72 N C 1.969 177.340 175.510 -0.232 0.000 1.019 72 N CA 2.423 55.203 53.050 -0.449 0.000 0.869 72 N CB 0.781 38.903 38.487 -0.609 0.000 1.000 72 N HN 0.068 7.815 8.380 -1.594 -0.324 0.431 73 T N 3.520 117.923 114.554 -0.252 0.000 2.665 73 T HA -0.535 3.739 4.350 -0.126 0.000 0.268 73 T C 1.706 176.377 174.700 -0.049 0.000 1.035 73 T CA 5.104 67.127 62.100 -0.127 0.000 1.151 73 T CB 0.085 68.891 68.868 -0.103 0.000 0.862 73 T HN -0.227 8.086 8.240 -0.388 -0.306 0.438 74 R N -0.392 120.127 120.500 0.031 0.000 2.120 74 R HA -0.264 4.129 4.340 0.089 0.000 0.234 74 R C 1.965 178.339 176.300 0.124 0.000 1.123 74 R CA 3.470 59.671 56.100 0.169 0.000 0.975 74 R CB -1.141 29.411 30.300 0.422 0.000 0.866 74 R HN 0.454 8.629 8.270 0.018 0.106 0.446 75 T N 2.060 116.662 114.554 0.081 0.000 2.951 75 T HA -0.295 4.113 4.350 0.097 0.000 0.268 75 T C 1.953 176.648 174.700 -0.009 0.000 1.073 75 T CA 4.638 66.771 62.100 0.055 0.000 1.134 75 T CB -0.706 68.192 68.868 0.052 0.000 0.884 75 T HN -0.476 7.699 8.240 0.055 0.097 0.479 76 Q N 2.051 121.827 119.800 -0.041 0.000 2.096 76 Q HA -0.099 4.214 4.340 -0.045 0.000 0.197 76 Q C 2.457 178.411 176.000 -0.076 0.000 0.964 76 Q CA 3.469 59.238 55.803 -0.057 0.000 0.838 76 Q CB 0.065 28.761 28.738 -0.070 0.000 0.906 76 Q HN -0.233 7.841 8.270 -0.044 0.169 0.444 77 V N -3.130 116.723 119.914 -0.101 0.000 2.407 77 V HA -0.292 3.760 4.120 -0.113 0.000 0.248 77 V C 1.582 177.568 176.094 -0.180 0.000 1.055 77 V CA 3.752 65.967 62.300 -0.141 0.000 1.049 77 V CB -0.693 31.025 31.823 -0.175 0.000 0.662 77 V HN 0.363 8.498 8.190 -0.091 0.000 0.455 78 T N 3.579 118.012 114.554 -0.202 0.000 2.701 78 T HA -0.338 3.855 4.350 -0.262 0.000 0.263 78 T C 1.621 176.260 174.700 -0.101 0.000 1.040 78 T CA 4.772 66.755 62.100 -0.195 0.000 1.147 78 T CB -0.307 68.472 68.868 -0.148 0.000 0.865 78 T HN -0.705 7.421 8.240 -0.175 0.009 0.426 79 R N 0.875 121.338 120.500 -0.061 0.000 2.096 79 R HA -0.333 3.992 4.340 -0.025 0.000 0.235 79 R C 1.657 177.925 176.300 -0.053 0.000 1.127 79 R CA 2.314 58.391 56.100 -0.038 0.000 0.968 79 R CB -0.758 29.530 30.300 -0.019 0.000 0.861 79 R HN -0.189 8.048 8.270 -0.056 0.000 0.440 80 E N -0.340 119.820 120.200 -0.066 0.000 2.048 80 E HA -0.431 3.884 4.350 -0.057 0.000 0.202 80 E C 1.716 178.275 176.600 -0.069 0.000 1.021 80 E CA 3.532 59.892 56.400 -0.066 0.000 0.825 80 E CB -0.168 29.489 29.700 -0.071 0.000 0.756 80 E HN 0.201 8.396 8.360 -0.072 0.122 0.454 81 A N -1.004 121.769 122.820 -0.078 0.000 1.859 81 A HA -0.306 3.980 4.320 -0.057 0.000 0.217 81 A C 2.415 179.960 177.584 -0.065 0.000 1.198 81 A CA 3.098 55.093 52.037 -0.068 0.000 0.629 81 A CB -0.759 18.192 19.000 -0.083 0.000 0.830 81 A HN -0.635 7.458 8.150 -0.095 0.000 0.446 82 I N -3.743 116.788 120.570 -0.066 0.000 2.423 82 I HA -0.547 3.579 4.170 -0.073 0.000 0.254 82 I C 2.494 178.529 176.117 -0.136 0.000 1.151 82 I CA 4.090 65.344 61.300 -0.077 0.000 1.421 82 I CB -0.502 37.480 38.000 -0.029 0.000 1.079 82 I HN -0.424 7.747 8.210 -0.064 0.000 0.431 83 S N 0.993 116.633 115.700 -0.101 0.000 2.317 83 S HA -0.106 4.286 4.470 -0.129 0.000 0.212 83 S C 2.479 177.013 174.600 -0.110 0.000 1.030 83 S CA 3.842 61.980 58.200 -0.105 0.000 0.970 83 S CB 0.271 63.432 63.200 -0.065 0.000 0.928 83 S HN -0.104 7.978 8.310 -0.078 0.182 0.451 84 L N 0.006 121.181 121.223 -0.081 0.000 2.201 84 L HA -0.055 4.246 4.340 -0.066 0.000 0.212 84 L C 1.669 178.494 176.870 -0.074 0.000 1.105 84 L CA 2.641 57.440 54.840 -0.068 0.000 0.775 84 L CB -0.360 41.668 42.059 -0.051 0.000 0.913 84 L HN 0.071 8.258 8.230 -0.071 0.000 0.440 85 V N 0.091 119.955 119.914 -0.084 0.000 2.244 85 V HA -0.369 3.722 4.120 -0.049 0.000 0.244 85 V C 1.906 177.924 176.094 -0.127 0.000 1.042 85 V CA 3.981 66.234 62.300 -0.078 0.000 1.006 85 V CB -0.573 31.216 31.823 -0.057 0.000 0.641 85 V HN -0.117 8.000 8.190 -0.085 0.022 0.446 86 C N -3.384 115.772 119.300 -0.240 0.000 2.432 86 C HA -0.100 4.166 4.460 -0.324 0.000 0.280 86 C C 1.219 176.080 174.990 -0.216 0.000 1.353 86 C CA 1.191 59.979 59.018 -0.382 0.000 1.766 86 C CB -1.033 26.162 27.740 -0.908 0.000 1.924 86 C HN -0.346 7.735 8.230 -0.249 0.000 0.509 87 E N -1.157 118.954 120.200 -0.149 0.000 2.419 87 E HA 0.139 4.446 4.350 -0.073 0.000 0.190 87 E C -0.891 175.675 176.600 -0.057 0.000 1.040 87 E CA 0.508 56.857 56.400 -0.085 0.000 0.900 87 E CB 0.038 29.696 29.700 -0.070 0.000 1.054 87 E HN -0.307 7.831 8.360 -0.151 0.132 0.462 88 A N -0.993 121.793 122.820 -0.057 0.000 1.609 88 A HA 0.314 4.615 4.320 -0.031 0.000 0.215 88 A C -0.682 176.884 177.584 -0.029 0.000 1.796 88 A CA 0.848 52.862 52.037 -0.038 0.000 1.303 88 A CB 1.936 20.914 19.000 -0.037 0.000 1.240 88 A HN -0.278 7.646 8.150 -0.074 0.182 0.429 89 V N -0.564 119.332 119.914 -0.031 0.000 3.003 89 V HA 0.335 4.446 4.120 -0.016 0.000 0.305 89 V C -1.793 174.299 176.094 -0.002 0.000 1.078 89 V CA -2.836 59.455 62.300 -0.015 0.000 1.083 89 V CB -0.729 31.091 31.823 -0.005 0.000 1.039 89 V HN -0.086 7.978 8.190 -0.042 0.101 0.481 90 P HA -0.015 4.418 4.420 0.022 0.000 0.272 90 P C -0.073 177.255 177.300 0.046 0.000 1.230 90 P CA 0.307 63.421 63.100 0.023 0.000 0.788 90 P CB 0.714 32.425 31.700 0.018 0.000 0.949 91 G N -1.578 107.259 108.800 0.061 0.000 2.561 91 G HA2 -0.254 3.755 3.960 0.082 0.000 0.203 91 G HA3 -0.254 3.766 3.960 0.100 0.000 0.203 91 G C -1.329 173.650 174.900 0.131 0.000 1.101 91 G CA -0.299 44.856 45.100 0.091 0.000 0.711 91 G HN 0.061 8.383 8.290 0.053 0.000 0.511 92 A N 2.049 124.952 122.820 0.139 0.000 2.540 92 A HA -0.073 4.542 4.320 0.492 0.000 0.239 92 A C 0.106 177.810 177.584 0.200 0.000 1.061 92 A CA 0.763 52.949 52.037 0.247 0.000 0.758 92 A CB 0.225 19.267 19.000 0.070 0.000 0.991 92 A HN -0.497 7.637 8.150 0.084 0.066 0.502 93 K N 3.134 123.678 120.400 0.239 0.000 2.365 93 K HA -0.069 4.308 4.320 0.094 0.000 0.197 93 K C 0.179 176.856 176.600 0.129 0.000 1.042 93 K CA 0.507 56.870 56.287 0.127 0.000 0.987 93 K CB 0.083 32.619 32.500 0.059 0.000 0.779 93 K HN 0.303 8.760 8.250 0.345 0.000 0.484 94 G N 0.813 109.740 108.800 0.213 0.000 2.866 94 G HA2 0.213 4.232 3.960 0.097 0.000 0.291 94 G HA3 0.213 4.275 3.960 0.170 0.000 0.291 94 G C -2.449 172.519 174.900 0.113 0.000 1.476 94 G CA 0.432 45.623 45.100 0.153 0.000 1.048 94 G HN -0.229 8.246 8.290 0.368 0.037 0.542 95 A N 4.505 127.359 122.820 0.056 0.000 2.475 95 A HA 0.624 5.126 4.320 0.002 -0.180 0.301 95 A C -1.303 176.288 177.584 0.012 0.000 1.059 95 A CA -0.531 51.515 52.037 0.016 0.000 0.710 95 A CB 2.397 21.396 19.000 -0.002 0.000 1.288 95 A HN 0.175 8.358 8.150 0.055 0.000 0.408 96 T N 1.406 115.961 114.554 0.002 0.000 3.054 96 T HA 0.005 4.358 4.350 0.006 0.000 0.255 96 T C -0.354 174.343 174.700 -0.006 0.000 1.035 96 T CA -0.982 61.119 62.100 0.001 0.000 0.941 96 T CB 0.472 69.341 68.868 0.002 0.000 1.026 96 T HN 0.901 9.662 8.240 -0.006 -0.525 0.533 97 R N 0.464 120.957 120.500 -0.012 0.000 2.496 97 R HA -0.379 4.191 4.340 -0.022 -0.243 0.326 97 R C -1.536 174.753 176.300 -0.017 0.000 1.032 97 R CA 0.926 57.016 56.100 -0.016 0.000 0.827 97 R CB -1.801 28.491 30.300 -0.012 0.000 2.368 97 R HN -0.473 7.841 8.270 -0.015 -0.053 0.490 98 R N 3.765 124.251 120.500 -0.023 0.000 2.545 98 R HA 0.265 4.594 4.340 -0.018 0.000 0.289 98 R C -2.046 174.238 176.300 -0.027 0.000 1.327 98 R CA -1.353 54.734 56.100 -0.022 0.000 1.040 98 R CB 1.007 31.295 30.300 -0.020 0.000 1.176 98 R HN -0.085 8.168 8.270 -0.029 0.000 0.518 99 R N 3.268 123.754 120.500 -0.025 0.000 2.480 99 R HA 0.160 4.482 4.340 -0.030 0.000 0.306 99 R C -0.542 175.744 176.300 -0.023 0.000 0.958 99 R CA -0.878 55.206 56.100 -0.027 0.000 0.861 99 R CB 1.883 32.166 30.300 -0.027 0.000 1.171 99 R HN 0.187 8.444 8.270 -0.022 0.000 0.445 100 K N 8.537 128.923 120.400 -0.024 0.000 2.294 100 K HA 0.142 4.450 4.320 -0.019 0.000 0.288 100 K C -1.107 175.480 176.600 -0.021 0.000 1.072 100 K CA -1.522 54.752 56.287 -0.022 0.000 0.960 100 K CB -1.553 30.934 32.500 -0.022 0.000 1.043 100 K HN 0.578 8.812 8.250 -0.026 0.000 0.455 101 P HA -0.127 4.281 4.420 -0.021 0.000 0.208 101 P C -0.554 176.734 177.300 -0.019 0.000 1.200 101 P CA 1.117 64.205 63.100 -0.019 0.000 0.924 101 P CB 0.286 31.976 31.700 -0.017 0.000 0.774 102 C N -0.273 119.016 119.300 -0.017 0.000 2.248 102 C HA 0.280 4.729 4.460 -0.018 0.000 0.320 102 C C -0.844 174.136 174.990 -0.016 0.000 1.065 102 C CA -0.997 58.011 59.018 -0.017 0.000 1.558 102 C CB -1.630 26.101 27.740 -0.015 0.000 1.787 102 C HN 0.074 8.295 8.230 -0.016 0.000 0.426 103 S N 2.504 118.193 115.700 -0.018 0.000 2.757 103 S HA 0.221 4.682 4.470 -0.016 0.000 0.285 103 S C -1.397 173.192 174.600 -0.019 0.000 1.196 103 S CA -1.006 57.183 58.200 -0.018 0.000 0.856 103 S CB 1.990 65.179 63.200 -0.018 0.000 1.212 103 S HN 0.089 8.387 8.310 -0.019 0.000 0.516 104 R N 2.126 122.614 120.500 -0.020 0.000 2.560 104 R HA 0.267 4.594 4.340 -0.021 0.000 0.270 104 R C -0.796 175.488 176.300 -0.027 0.000 1.074 104 R CA -1.346 54.740 56.100 -0.022 0.000 1.140 104 R CB -0.738 29.548 30.300 -0.022 0.000 1.073 104 R HN 0.116 8.375 8.270 -0.020 0.000 0.527 105 P HA -0.121 4.279 4.420 -0.034 0.000 0.210 105 P C -0.719 176.557 177.300 -0.039 0.000 1.189 105 P CA 1.998 65.077 63.100 -0.035 0.000 0.920 105 P CB 0.478 32.154 31.700 -0.039 0.000 0.782 106 L N -9.976 111.222 121.223 -0.042 0.000 2.688 106 L HA 0.327 4.643 4.340 -0.039 0.000 0.216 106 L C -0.228 176.619 176.870 -0.038 0.000 1.036 106 L CA 0.572 55.386 54.840 -0.043 0.000 0.906 106 L CB -0.523 41.504 42.059 -0.053 0.000 1.501 106 L HN -0.241 7.964 8.230 -0.042 0.000 0.489 107 S N 0.791 116.468 115.700 -0.038 0.000 3.078 107 S HA 0.075 4.528 4.470 -0.029 0.000 0.248 107 S C -1.206 173.377 174.600 -0.029 0.000 0.857 107 S CA -0.201 57.980 58.200 -0.033 0.000 1.139 107 S CB 0.358 63.537 63.200 -0.035 0.000 1.186 107 S HN -0.095 8.190 8.310 -0.042 0.000 0.567 108 S N -0.905 114.777 115.700 -0.029 0.000 3.477 108 S HA -0.353 4.100 4.470 -0.028 0.000 0.357 108 S C 0.002 174.587 174.600 -0.025 0.000 1.083 108 S CA 1.101 59.285 58.200 -0.026 0.000 1.042 108 S CB -1.780 61.408 63.200 -0.020 0.000 0.911 108 S HN 0.098 8.389 8.310 -0.032 0.000 0.490 109 I N -2.634 117.917 120.570 -0.032 0.000 2.286 109 I HA -0.281 3.876 4.170 -0.023 0.000 0.245 109 I C 0.154 176.253 176.117 -0.029 0.000 1.104 109 I CA 1.858 63.140 61.300 -0.030 0.000 1.397 109 I CB 0.536 38.513 38.000 -0.038 0.000 1.072 109 I HN -0.083 8.079 8.210 -0.038 0.025 0.417 110 L N -5.475 115.723 121.223 -0.041 0.000 2.902 110 L HA 0.507 4.827 4.340 -0.034 0.000 0.229 110 L C 0.478 177.328 176.870 -0.033 0.000 1.324 110 L CA -1.540 53.273 54.840 -0.044 0.000 1.230 110 L CB -0.018 41.995 42.059 -0.076 0.000 2.134 110 L HN -0.714 7.488 8.230 -0.047 0.000 0.567 111 G N -1.540 107.241 108.800 -0.033 0.000 2.699 111 G HA2 -0.012 3.939 3.960 -0.015 0.000 0.214 111 G HA3 -0.012 4.058 3.960 -0.016 -0.120 0.214 111 G C -1.017 173.870 174.900 -0.022 0.000 1.350 111 G CA 0.980 46.068 45.100 -0.021 0.000 0.873 111 G HN -0.181 8.126 8.290 -0.042 -0.042 0.570 112 R N -1.258 119.228 120.500 -0.022 0.000 2.753 112 R HA 0.239 4.563 4.340 -0.028 0.000 0.272 112 R C -2.449 173.840 176.300 -0.019 0.000 1.034 112 R CA -1.407 54.680 56.100 -0.022 0.000 0.869 112 R CB 1.486 31.777 30.300 -0.015 0.000 1.264 112 R HN -0.008 8.249 8.270 -0.022 0.000 0.481 113 S N 1.101 116.788 115.700 -0.021 0.000 2.465 113 S HA 0.058 4.521 4.470 -0.012 0.000 0.279 113 S C -1.110 173.487 174.600 -0.006 0.000 1.201 113 S CA 0.674 58.865 58.200 -0.016 0.000 1.053 113 S CB 0.590 63.775 63.200 -0.026 0.000 0.953 113 S HN 0.323 8.618 8.310 -0.025 0.000 0.488 114 N N 6.329 125.037 118.700 0.013 0.000 2.621 114 N HA 0.191 4.924 4.740 -0.011 0.000 0.237 114 N C -1.662 173.856 175.510 0.012 0.000 0.997 114 N CA -1.277 51.778 53.050 0.010 0.000 0.918 114 N CB 0.729 39.233 38.487 0.029 0.000 1.122 114 N HN 0.330 8.727 8.380 0.029 0.000 0.510 115 L N 4.168 125.382 121.223 -0.014 0.000 2.533 115 L HA 0.089 4.439 4.340 0.016 0.000 0.239 115 L C -0.200 176.634 176.870 -0.061 0.000 1.376 115 L CA 0.149 54.980 54.840 -0.016 0.000 1.240 115 L CB -2.744 39.301 42.059 -0.023 0.000 1.487 115 L HN 0.555 8.770 8.230 -0.024 0.000 0.419 116 K N -0.948 119.393 120.400 -0.099 0.000 2.286 116 K HA 0.090 4.280 4.320 -0.216 0.000 0.203 116 K C 0.636 177.031 176.600 -0.343 0.000 1.078 116 K CA 0.460 56.590 56.287 -0.261 0.000 0.957 116 K CB 0.947 33.207 32.500 -0.400 0.000 1.018 116 K HN -0.272 7.891 8.250 -0.041 0.063 0.484 117 F N 2.709 122.547 119.950 -0.186 0.000 2.605 117 F HA 0.046 4.375 4.527 -0.330 0.000 0.352 117 F C -1.742 173.919 175.800 -0.231 0.000 1.236 117 F CA -0.677 57.097 58.000 -0.375 0.000 1.267 117 F CB -1.116 37.365 39.000 -0.864 0.000 1.632 117 F HN -0.429 7.852 8.300 -0.031 0.000 0.639 118 A N 1.254 124.083 122.820 0.015 0.000 2.343 118 A HA 0.504 5.132 4.320 0.165 -0.209 0.308 118 A C -0.451 177.168 177.584 0.059 0.000 1.092 118 A CA -1.160 50.924 52.037 0.078 0.000 0.751 118 A CB 1.532 20.563 19.000 0.052 0.000 1.203 118 A HN -0.188 7.898 8.150 -0.052 0.032 0.452 119 G N 3.603 112.463 108.800 0.100 0.000 2.181 119 G HA2 -0.334 3.678 3.960 0.087 0.000 0.152 119 G HA3 -0.334 3.656 3.960 0.051 0.000 0.152 119 G C -1.516 173.432 174.900 0.081 0.000 1.026 119 G CA -0.093 45.054 45.100 0.078 0.000 0.699 119 G HN 0.890 9.167 8.290 0.153 0.105 0.497 120 M N 1.521 121.193 119.600 0.121 0.000 2.190 120 M HA 0.578 5.105 4.480 0.078 0.000 0.312 120 M C -2.663 173.721 176.300 0.140 0.000 0.990 120 M CA -3.091 52.276 55.300 0.112 0.000 0.927 120 M CB 2.668 35.323 32.600 0.091 0.000 1.571 120 M HN -0.520 7.873 8.290 0.172 0.000 0.427 121 P HA 0.229 4.821 4.420 0.098 -0.113 0.271 121 P C -1.260 176.097 177.300 0.096 0.000 1.226 121 P CA 0.059 63.214 63.100 0.092 0.000 0.765 121 P CB -0.269 31.470 31.700 0.065 0.000 0.835 122 I N -1.689 118.941 120.570 0.099 0.000 3.466 122 I HA 0.703 5.139 4.170 0.080 -0.218 0.311 122 I C -1.160 174.999 176.117 0.069 0.000 1.155 122 I CA -2.202 59.151 61.300 0.089 0.000 0.959 122 I CB 4.551 42.618 38.000 0.112 0.000 1.332 122 I HN 0.920 9.084 8.210 0.099 0.105 0.483 123 T N 3.008 117.596 114.554 0.057 0.000 3.031 123 T HA 0.631 5.258 4.350 0.071 -0.235 0.305 123 T C -1.286 173.442 174.700 0.046 0.000 0.985 123 T CA -0.511 61.622 62.100 0.055 0.000 1.008 123 T CB 2.120 71.011 68.868 0.039 0.000 1.005 123 T HN 0.082 8.355 8.240 0.055 0.000 0.444 124 L N 8.680 129.949 121.223 0.078 0.000 2.456 124 L HA 0.095 4.404 4.340 -0.051 0.000 0.277 124 L C -1.446 175.496 176.870 0.120 0.000 1.124 124 L CA -0.367 54.507 54.840 0.056 0.000 0.880 124 L CB -0.262 41.837 42.059 0.067 0.000 1.192 124 L HN 0.721 8.927 8.230 0.121 0.096 0.463 125 T N 10.564 125.139 114.554 0.035 0.000 2.756 125 T HA 0.622 5.305 4.350 0.049 -0.303 0.290 125 T C -0.695 174.022 174.700 0.029 0.000 0.985 125 T CA -0.627 61.495 62.100 0.037 0.000 0.955 125 T CB 0.645 69.523 68.868 0.017 0.000 0.930 125 T HN 0.382 8.611 8.240 -0.017 0.000 0.451 126 V N 8.182 128.131 119.914 0.059 0.000 2.439 126 V HA -0.029 4.096 4.120 0.007 0.000 0.282 126 V C -1.741 174.359 176.094 0.009 0.000 1.039 126 V CA -0.107 62.215 62.300 0.038 0.000 0.913 126 V CB 0.845 32.721 31.823 0.088 0.000 0.983 126 V HN 0.528 8.768 8.190 0.084 0.000 0.460 127 S N 3.975 119.670 115.700 -0.009 0.000 2.564 127 S HA 0.591 5.169 4.470 -0.032 -0.127 0.274 127 S C 1.611 176.174 174.600 -0.061 0.000 1.124 127 S CA -1.534 56.650 58.200 -0.026 0.000 0.869 127 S CB 3.538 66.738 63.200 0.001 0.000 1.105 127 S HN 0.318 8.621 8.310 -0.013 0.000 0.472 128 T N 2.457 116.941 114.554 -0.116 0.000 2.620 128 T HA -0.434 3.846 4.350 -0.117 0.000 0.267 128 T C 0.314 174.913 174.700 -0.169 0.000 1.044 128 T CA 4.025 66.016 62.100 -0.181 0.000 1.161 128 T CB -0.000 68.653 68.868 -0.359 0.000 0.862 128 T HN 0.591 8.769 8.240 -0.104 0.000 0.438 129 S N -0.859 114.704 115.700 -0.228 0.000 2.843 129 S HA 0.285 4.677 4.470 -0.130 0.000 0.249 129 S C -1.585 172.966 174.600 -0.081 0.000 1.047 129 S CA -0.495 57.602 58.200 -0.173 0.000 1.042 129 S CB 0.046 63.099 63.200 -0.245 0.000 0.936 129 S HN 0.083 8.234 8.310 -0.264 0.000 0.531 130 S N 1.942 117.619 115.700 -0.039 0.000 2.546 130 S HA 0.289 4.795 4.470 0.060 -0.000 0.274 130 S C -2.707 171.897 174.600 0.007 0.000 1.121 130 S CA 0.026 58.249 58.200 0.038 0.000 0.887 130 S CB 3.189 66.458 63.200 0.116 0.000 1.094 130 S HN 0.167 8.249 8.310 -0.058 0.193 0.474 131 L N 4.112 125.344 121.223 0.014 0.000 2.457 131 L HA 0.577 5.078 4.340 -0.037 -0.183 0.259 131 L C -2.744 174.106 176.870 -0.033 0.000 1.377 131 L CA -0.649 54.169 54.840 -0.036 0.000 0.887 131 L CB 1.532 43.542 42.059 -0.081 0.000 1.085 131 L HN -0.154 8.106 8.230 0.050 0.000 0.509 132 N N 0.476 119.179 118.700 0.006 0.000 2.404 132 N HA 0.260 5.024 4.740 0.040 0.000 0.297 132 N C -2.593 172.912 175.510 -0.008 0.000 1.163 132 N CA -1.674 51.397 53.050 0.034 0.000 0.864 132 N CB 3.103 41.655 38.487 0.109 0.000 1.247 132 N HN -0.459 7.931 8.380 0.017 0.000 0.510 133 L N -0.707 120.524 121.223 0.013 0.000 2.333 133 L HA 0.723 5.296 4.340 -0.008 -0.238 0.280 133 L C -1.058 175.840 176.870 0.047 0.000 1.004 133 L CA -1.054 53.792 54.840 0.011 0.000 0.820 133 L CB 2.772 44.834 42.059 0.005 0.000 1.247 133 L HN -0.004 8.260 8.230 0.055 0.000 0.416 134 M N 4.281 123.905 119.600 0.040 0.000 2.108 134 M HA 0.168 4.676 4.480 0.046 0.000 0.354 134 M C -1.378 174.952 176.300 0.050 0.000 1.229 134 M CA -1.209 54.116 55.300 0.043 0.000 1.081 134 M CB 2.014 34.633 32.600 0.031 0.000 1.606 134 M HN 0.170 8.479 8.290 0.032 0.000 0.467 135 A N 6.037 128.889 122.820 0.052 0.000 2.476 135 A HA -0.027 4.438 4.320 0.074 -0.101 0.275 135 A C -0.344 177.266 177.584 0.044 0.000 1.133 135 A CA 0.228 52.298 52.037 0.056 0.000 0.797 135 A CB 0.158 19.186 19.000 0.047 0.000 1.081 135 A HN 0.450 8.629 8.150 0.049 0.000 0.510 136 A N 5.475 128.324 122.820 0.049 0.000 2.239 136 A HA -0.160 4.179 4.320 0.032 0.000 0.209 136 A C 0.322 177.927 177.584 0.035 0.000 1.171 136 A CA 1.554 53.614 52.037 0.039 0.000 0.768 136 A CB -0.269 18.756 19.000 0.042 0.000 0.790 136 A HN 0.411 8.496 8.150 0.060 0.101 0.478 137 D N -1.248 119.175 120.400 0.038 0.000 2.363 137 D HA -0.128 4.530 4.640 0.029 0.000 0.226 137 D C 0.046 176.358 176.300 0.021 0.000 1.020 137 D CA 0.260 54.279 54.000 0.031 0.000 0.892 137 D CB 0.249 41.069 40.800 0.034 0.000 0.900 137 D HN -0.238 8.074 8.370 0.046 0.085 0.531 138 C N -3.648 115.664 119.300 0.020 0.000 4.549 138 C HA -0.393 4.076 4.460 0.014 0.000 0.290 138 C C -0.054 174.942 174.990 0.010 0.000 1.328 138 C CA 0.952 59.978 59.018 0.014 0.000 2.002 138 C CB -2.169 25.577 27.740 0.010 0.000 1.238 138 C HN -0.184 7.870 8.230 0.025 0.191 0.780 139 K N 0.991 121.399 120.400 0.012 0.000 2.102 139 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 139 K C -0.219 176.384 176.600 0.005 0.000 1.031 139 K CA 1.724 58.014 56.287 0.005 0.000 0.962 139 K CB 1.102 33.605 32.500 0.005 0.000 0.811 139 K HN -0.014 8.231 8.250 0.018 0.016 0.453 140 Q N -5.968 113.840 119.800 0.014 0.000 2.915 140 Q HA 0.087 4.439 4.340 0.020 0.000 0.332 140 Q C -2.499 173.520 176.000 0.033 0.000 0.772 140 Q CA -0.839 54.977 55.803 0.020 0.000 0.945 140 Q CB 1.193 29.940 28.738 0.016 0.000 1.360 140 Q HN -0.443 7.838 8.270 0.019 0.000 0.486 141 I N -0.259 120.338 120.570 0.045 0.000 2.354 141 I HA 0.330 4.635 4.170 0.054 -0.102 0.292 141 I C -0.184 175.977 176.117 0.074 0.000 0.989 141 I CA -0.599 60.736 61.300 0.059 0.000 1.188 141 I CB 0.815 38.853 38.000 0.063 0.000 1.342 141 I HN 0.183 8.421 8.210 0.047 0.000 0.457 142 I N 0.923 121.541 120.570 0.080 0.000 3.619 142 I HA 0.444 4.664 4.170 0.083 0.000 0.284 142 I C -0.391 175.807 176.117 0.136 0.000 1.240 142 I CA -1.620 59.736 61.300 0.095 0.000 1.016 142 I CB 1.483 39.533 38.000 0.084 0.000 1.374 142 I HN 0.554 8.810 8.210 0.078 0.000 0.553 143 A N -0.840 122.089 122.820 0.182 0.000 6.086 143 A HA -0.299 4.199 4.320 0.298 0.000 0.252 143 A C -1.127 176.559 177.584 0.169 0.000 2.197 143 A CA 1.283 53.457 52.037 0.229 0.000 0.706 143 A CB -0.771 18.361 19.000 0.220 0.000 1.023 143 A HN 0.310 8.564 8.150 0.173 0.000 0.358 144 N N 0.402 119.190 118.700 0.147 0.000 2.258 144 N HA 0.217 5.022 4.740 0.108 0.000 0.299 144 N C -0.624 174.954 175.510 0.113 0.000 1.047 144 N CA -1.321 51.789 53.050 0.101 0.000 0.814 144 N CB 2.124 40.649 38.487 0.064 0.000 1.413 144 N HN 0.138 8.610 8.380 0.152 0.000 0.478 145 H N 0.484 119.612 119.070 0.098 0.000 2.768 145 H HA 0.062 4.724 4.556 0.057 -0.072 0.228 145 H C -1.417 173.998 175.328 0.144 0.000 1.812 145 H CA -1.054 55.047 56.048 0.087 0.000 1.273 145 H CB -1.724 28.083 29.762 0.075 0.000 1.631 145 H HN 0.435 8.722 8.280 0.012 0.000 0.526 146 H N 2.295 121.318 119.070 -0.078 0.000 3.224 146 H HA 0.169 4.913 4.556 -0.073 -0.232 0.331 146 H C -1.373 173.916 175.328 -0.065 0.000 1.002 146 H CA -0.508 55.482 56.048 -0.097 0.000 1.473 146 H CB 2.294 31.961 29.762 -0.158 0.000 1.830 146 H HN -0.539 7.824 8.280 0.090 -0.029 0.485 147 M N 6.758 126.169 119.600 -0.315 0.000 2.159 147 M HA -0.285 4.079 4.480 -0.194 0.000 0.263 147 M C 0.874 176.964 176.300 -0.351 0.000 1.063 147 M CA 3.199 58.330 55.300 -0.282 0.000 1.110 147 M CB 0.584 33.048 32.600 -0.228 0.000 1.374 147 M HN 0.001 7.997 8.290 -0.310 0.108 0.411 148 Q N -1.556 117.906 119.800 -0.564 0.000 2.515 148 Q HA -0.143 4.047 4.340 -0.249 0.000 0.212 148 Q C -0.160 175.778 176.000 -0.103 0.000 0.970 148 Q CA 1.296 56.895 55.803 -0.341 0.000 0.941 148 Q CB -0.717 27.825 28.738 -0.327 0.000 0.998 148 Q HN 0.332 7.999 8.270 -0.972 0.019 0.518 149 S N -2.239 113.446 115.700 -0.025 0.000 2.661 149 S HA 0.217 4.728 4.470 0.069 0.000 0.245 149 S C -0.977 173.642 174.600 0.031 0.000 1.117 149 S CA -0.707 57.546 58.200 0.088 0.000 1.091 149 S CB 0.430 63.770 63.200 0.233 0.000 0.887 149 S HN -0.515 7.618 8.310 -0.119 0.106 0.491 150 I N -2.945 117.609 120.570 -0.026 0.000 3.449 150 I HA 0.216 4.406 4.170 0.033 0.000 0.294 150 I C -2.084 174.024 176.117 -0.014 0.000 1.163 150 I CA -1.064 60.231 61.300 -0.008 0.000 1.010 150 I CB 2.512 40.491 38.000 -0.035 0.000 1.307 150 I HN -0.906 7.199 8.210 -0.077 0.059 0.518 151 S N -0.657 115.056 115.700 0.022 0.000 4.736 151 S HA 0.298 4.707 4.470 -0.101 0.000 0.170 151 S C -1.010 173.540 174.600 -0.083 0.000 1.074 151 S CA 0.718 58.918 58.200 0.001 0.000 1.250 151 S CB 2.481 65.811 63.200 0.217 0.000 1.772 151 S HN 0.148 8.495 8.310 0.060 0.000 0.633 152 F N 0.162 120.085 119.950 -0.045 0.000 2.541 152 F HA 0.226 4.735 4.527 -0.030 0.000 0.331 152 F C -0.956 174.837 175.800 -0.011 0.000 1.057 152 F CA -1.180 56.799 58.000 -0.035 0.000 0.975 152 F CB 3.174 42.146 39.000 -0.046 0.000 1.246 152 F HN -0.030 8.390 8.300 0.405 0.123 0.484 153 A N 1.221 124.153 122.820 0.187 0.000 2.497 153 A HA 0.226 4.784 4.320 0.163 -0.140 0.280 153 A C -1.885 175.759 177.584 0.099 0.000 1.065 153 A CA -0.669 51.446 52.037 0.131 0.000 0.781 153 A CB 2.008 21.050 19.000 0.070 0.000 1.289 153 A HN 0.166 8.414 8.150 0.162 0.000 0.415 154 S N 3.982 119.737 115.700 0.092 0.000 2.438 154 S HA 0.348 4.860 4.470 0.070 0.000 0.293 154 S C -0.703 173.925 174.600 0.046 0.000 1.141 154 S CA -0.832 57.409 58.200 0.068 0.000 1.080 154 S CB 0.618 63.853 63.200 0.059 0.000 0.978 154 S HN 0.401 8.650 8.310 0.098 0.120 0.479 155 G N 3.464 112.281 108.800 0.028 0.000 2.393 155 G HA2 0.010 3.977 3.960 0.012 0.000 0.264 155 G HA3 0.010 3.963 3.960 -0.011 0.000 0.264 155 G C -2.103 172.795 174.900 -0.004 0.000 1.221 155 G CA -0.056 45.047 45.100 0.006 0.000 0.912 155 G HN -0.279 8.029 8.290 0.030 0.000 0.483 156 G N 0.564 109.350 108.800 -0.023 0.000 2.669 156 G HA2 -0.298 3.644 3.960 -0.031 0.000 0.250 156 G HA3 -0.298 3.654 3.960 -0.014 0.000 0.250 156 G C -1.769 173.119 174.900 -0.019 0.000 1.247 156 G CA 0.707 45.793 45.100 -0.022 0.000 0.958 156 G HN -0.060 8.126 8.290 -0.038 0.082 0.559 157 D N 2.034 122.428 120.400 -0.010 0.000 2.997 157 D HA 0.330 4.963 4.640 -0.013 0.000 0.362 157 D C -1.956 174.344 176.300 0.000 0.000 1.298 157 D CA -1.858 52.137 54.000 -0.009 0.000 0.756 157 D CB 1.001 41.794 40.800 -0.011 0.000 1.216 157 D HN 0.195 8.561 8.370 -0.006 0.000 0.496 158 P HA 0.151 4.580 4.420 0.015 0.000 0.332 158 P C 0.548 177.861 177.300 0.021 0.000 1.298 158 P CA -0.955 62.155 63.100 0.017 0.000 0.755 158 P CB 0.897 32.611 31.700 0.024 0.000 1.465 159 D N -1.217 119.201 120.400 0.029 0.000 2.221 159 D HA -0.250 4.409 4.640 0.031 0.000 0.204 159 D C 0.558 176.893 176.300 0.059 0.000 0.982 159 D CA 2.504 56.527 54.000 0.038 0.000 0.857 159 D CB 0.176 41.000 40.800 0.039 0.000 0.934 159 D HN 0.346 8.733 8.370 0.029 0.000 0.475 160 T N 0.248 114.841 114.554 0.065 0.000 3.145 160 T HA 0.141 4.591 4.350 0.167 0.000 0.255 160 T C -0.082 174.665 174.700 0.078 0.000 1.039 160 T CA -0.233 61.931 62.100 0.108 0.000 0.928 160 T CB -0.322 68.602 68.868 0.093 0.000 1.029 160 T HN -0.286 7.922 8.240 0.049 0.061 0.554 161 A N 1.471 124.306 122.820 0.026 0.000 2.131 161 A HA -0.231 4.088 4.320 -0.002 0.000 0.220 161 A C 0.231 177.777 177.584 -0.064 0.000 1.158 161 A CA 2.513 54.542 52.037 -0.012 0.000 0.665 161 A CB -0.318 18.670 19.000 -0.020 0.000 0.795 161 A HN -0.434 7.542 8.150 0.025 0.189 0.460 162 E N -3.641 116.484 120.200 -0.124 0.000 2.358 162 E HA -0.144 4.043 4.350 -0.271 0.000 0.195 162 E C -0.674 175.587 176.600 -0.564 0.000 1.010 162 E CA 0.780 56.962 56.400 -0.364 0.000 0.856 162 E CB 0.592 29.995 29.700 -0.495 0.000 0.795 162 E HN 0.138 8.408 8.360 -0.059 0.054 0.504 163 Y N -4.750 115.555 120.300 0.009 0.000 2.346 163 Y HA 0.252 4.812 4.550 0.017 0.000 0.332 163 Y C -1.088 174.818 175.900 0.010 0.000 0.985 163 Y CA -1.402 56.705 58.100 0.013 0.000 1.112 163 Y CB 2.118 40.586 38.460 0.014 0.000 1.170 163 Y HN -0.298 7.840 8.280 0.041 0.167 0.447 164 V N 1.279 121.278 119.914 0.142 0.000 2.966 164 V HA 0.336 4.589 4.120 0.076 -0.087 0.317 164 V C -1.177 174.978 176.094 0.102 0.000 1.070 164 V CA -2.242 60.111 62.300 0.088 0.000 1.008 164 V CB 2.408 34.255 31.823 0.039 0.000 1.070 164 V HN 0.408 8.685 8.190 0.144 0.000 0.457 165 A N 1.163 124.039 122.820 0.093 0.000 2.594 165 A HA 0.810 5.364 4.320 0.094 -0.178 0.295 165 A C -2.297 175.374 177.584 0.145 0.000 1.071 165 A CA -1.018 51.069 52.037 0.085 0.000 0.685 165 A CB 3.917 22.928 19.000 0.018 0.000 1.285 165 A HN 0.596 8.795 8.150 0.081 0.000 0.405 166 Y N -2.842 117.431 120.300 -0.046 0.000 2.470 166 Y HA 0.404 5.053 4.550 -0.011 -0.106 0.341 166 Y C -3.070 172.762 175.900 -0.113 0.000 1.021 166 Y CA -2.117 55.952 58.100 -0.053 0.000 1.025 166 Y CB 2.705 41.127 38.460 -0.063 0.000 1.266 166 Y HN 0.674 8.908 8.280 -0.077 0.000 0.448 167 V N 4.823 124.675 119.914 -0.103 0.000 2.409 167 V HA 0.774 4.833 4.120 -0.506 -0.243 0.291 167 V C -0.819 175.246 176.094 -0.047 0.000 1.020 167 V CA -1.304 60.874 62.300 -0.204 0.000 0.848 167 V CB 1.960 33.737 31.823 -0.076 0.000 0.990 167 V HN 0.738 8.858 8.190 0.120 0.143 0.430 168 A N 6.576 129.292 122.820 -0.173 0.000 2.552 168 A HA 0.451 4.873 4.320 0.033 -0.082 0.288 168 A C -2.119 175.437 177.584 -0.047 0.000 1.193 168 A CA -1.572 50.450 52.037 -0.026 0.000 0.713 168 A CB 3.398 22.449 19.000 0.085 0.000 1.305 168 A HN 0.509 8.416 8.150 -0.405 0.000 0.424 169 K N 0.059 120.468 120.400 0.013 0.000 2.436 169 K HA -0.110 4.415 4.320 0.015 -0.197 0.282 169 K C -0.692 175.927 176.600 0.032 0.000 1.044 169 K CA 0.759 57.060 56.287 0.023 0.000 1.028 169 K CB -0.173 32.352 32.500 0.040 0.000 0.919 169 K HN -0.128 8.143 8.250 0.035 0.000 0.474 170 D N 5.074 125.495 120.400 0.034 0.000 2.225 170 D HA 0.185 4.896 4.640 0.118 0.000 0.249 170 D C -0.776 175.580 176.300 0.093 0.000 1.052 170 D CA -2.499 51.552 54.000 0.086 0.000 0.909 170 D CB 2.252 43.113 40.800 0.103 0.000 1.186 170 D HN -0.511 7.760 8.370 0.025 0.113 0.431 171 P HA -0.116 4.354 4.420 0.083 0.000 0.226 171 P C -1.159 176.192 177.300 0.085 0.000 1.153 171 P CA 1.485 64.639 63.100 0.091 0.000 0.777 171 P CB 0.197 31.949 31.700 0.087 0.000 0.794 172 V N -4.242 115.728 119.914 0.094 0.000 2.735 172 V HA -0.008 4.162 4.120 0.083 0.000 0.234 172 V C 0.414 176.554 176.094 0.077 0.000 1.121 172 V CA 0.604 62.958 62.300 0.091 0.000 1.160 172 V CB 1.275 33.167 31.823 0.115 0.000 0.908 172 V HN -0.106 8.444 8.190 0.109 -0.295 0.495 173 N N -0.868 117.880 118.700 0.081 0.000 2.418 173 N HA -0.091 4.680 4.740 0.051 0.000 0.283 173 N C 0.495 176.033 175.510 0.046 0.000 1.267 173 N CA -0.587 52.498 53.050 0.059 0.000 0.975 173 N CB 1.380 39.901 38.487 0.057 0.000 1.167 173 N HN -0.207 8.611 8.380 0.103 -0.377 0.581 174 Q N -2.213 117.606 119.800 0.032 0.000 2.083 174 Q HA -0.115 4.243 4.340 0.030 0.000 0.198 174 Q C -0.085 175.927 176.000 0.021 0.000 0.969 174 Q CA 2.351 58.170 55.803 0.027 0.000 0.838 174 Q CB 0.801 29.552 28.738 0.022 0.000 0.900 174 Q HN 0.264 8.552 8.270 0.029 0.000 0.436 175 R N -4.008 116.497 120.500 0.008 0.000 2.626 175 R HA 0.548 5.043 4.340 -0.023 -0.169 0.274 175 R C -2.331 173.937 176.300 -0.053 0.000 1.031 175 R CA -0.545 55.543 56.100 -0.019 0.000 0.898 175 R CB 4.717 35.016 30.300 -0.001 0.000 1.222 175 R HN -0.534 7.990 8.270 0.009 -0.248 0.455 176 A N 1.704 124.443 122.820 -0.136 0.000 2.486 176 A HA 0.810 5.238 4.320 -0.099 -0.167 0.300 176 A C -2.655 174.689 177.584 -0.399 0.000 1.048 176 A CA -1.292 50.648 52.037 -0.161 0.000 0.696 176 A CB 4.103 23.130 19.000 0.045 0.000 1.278 176 A HN 0.843 8.881 8.150 -0.188 0.000 0.405 177 C N 3.556 122.694 119.300 -0.270 0.000 2.303 177 C HA 0.207 4.534 4.460 -0.469 -0.149 0.341 177 C C -0.577 174.294 174.990 -0.198 0.000 1.244 177 C CA -1.898 56.925 59.018 -0.326 0.000 1.765 177 C CB -0.046 27.551 27.740 -0.238 0.000 2.379 177 C HN 0.713 8.743 8.230 -0.156 0.106 0.530 178 H N 9.673 128.431 119.070 -0.521 0.000 2.504 178 H HA 0.412 4.793 4.556 -0.291 0.000 0.322 178 H C -0.580 174.547 175.328 -0.336 0.000 1.055 178 H CA -2.071 53.661 56.048 -0.527 0.000 1.231 178 H CB 1.978 31.187 29.762 -0.921 0.000 1.417 178 H HN 0.999 8.675 8.280 -0.826 0.108 0.472 179 I N 4.256 124.797 120.570 -0.048 0.000 2.353 179 I HA 0.159 4.477 4.170 0.029 -0.130 0.293 179 I C -1.349 174.798 176.117 0.051 0.000 0.992 179 I CA -0.636 60.676 61.300 0.021 0.000 1.268 179 I CB 0.582 38.604 38.000 0.037 0.000 1.387 179 I HN -0.096 8.111 8.210 -0.005 0.000 0.478 180 L N 5.757 127.037 121.223 0.096 0.000 2.296 180 L HA 0.803 5.375 4.340 0.091 -0.178 0.286 180 L C -0.531 176.426 176.870 0.144 0.000 1.023 180 L CA -1.775 53.127 54.840 0.104 0.000 0.812 180 L CB 1.260 43.373 42.059 0.089 0.000 1.223 180 L HN 1.028 9.194 8.230 0.108 0.129 0.421 181 E N 2.533 122.824 120.200 0.153 0.000 2.227 181 E HA 0.276 4.758 4.350 0.220 0.000 0.268 181 E C -0.440 176.213 176.600 0.087 0.000 0.990 181 E CA -2.347 54.155 56.400 0.170 0.000 0.856 181 E CB 3.572 33.393 29.700 0.202 0.000 1.159 181 E HN 0.689 9.045 8.360 0.142 0.089 0.401 182 C N 1.501 120.822 119.300 0.035 0.000 4.234 182 C HA -0.216 4.228 4.460 -0.027 0.000 0.308 182 C C -1.674 173.321 174.990 0.008 0.000 1.286 182 C CA 0.126 59.149 59.018 0.008 0.000 2.102 182 C CB -1.258 26.502 27.740 0.034 0.000 1.311 182 C HN 0.926 9.164 8.230 0.013 0.000 0.689 183 P HA -0.081 4.343 4.420 0.006 0.000 0.216 183 P C 0.864 178.162 177.300 -0.002 0.000 1.153 183 P CA 1.551 64.643 63.100 -0.013 0.000 0.844 183 P CB 0.753 32.429 31.700 -0.041 0.000 0.787 184 E N -2.009 118.181 120.200 -0.017 0.000 3.170 184 E HA -0.395 3.945 4.350 -0.016 0.000 0.284 184 E C -0.376 176.226 176.600 0.003 0.000 0.967 184 E CA 0.958 57.356 56.400 -0.003 0.000 0.919 184 E CB -1.052 28.660 29.700 0.020 0.000 1.469 184 E HN 0.400 8.736 8.360 -0.041 0.000 0.444 185 G N -5.910 102.881 108.800 -0.015 0.000 2.296 185 G HA2 -0.314 3.629 3.960 -0.029 0.000 0.188 185 G HA3 -0.314 3.648 3.960 0.003 0.000 0.188 185 G C 0.441 175.311 174.900 -0.050 0.000 1.000 185 G CA -0.303 44.786 45.100 -0.018 0.000 0.672 185 G HN 0.001 8.213 8.290 -0.029 0.060 0.483 186 L N 0.388 121.573 121.223 -0.064 0.000 2.187 186 L HA -0.265 3.867 4.340 -0.346 0.000 0.213 186 L C 0.867 177.595 176.870 -0.236 0.000 1.100 186 L CA 3.312 58.024 54.840 -0.213 0.000 0.765 186 L CB -1.098 40.872 42.059 -0.149 0.000 0.904 186 L HN -0.192 7.828 8.230 -0.022 0.197 0.437 187 A N -0.424 122.321 122.820 -0.124 0.000 1.848 187 A HA -0.441 3.828 4.320 -0.085 0.000 0.217 187 A C 1.708 179.228 177.584 -0.107 0.000 1.220 187 A CA 3.290 55.271 52.037 -0.093 0.000 0.645 187 A CB -1.019 17.950 19.000 -0.051 0.000 0.842 187 A HN 0.292 8.357 8.150 -0.088 0.032 0.451 188 Q N -1.807 117.943 119.800 -0.083 0.000 2.167 188 Q HA -0.315 3.988 4.340 -0.061 0.000 0.202 188 Q C 1.991 177.933 176.000 -0.096 0.000 0.970 188 Q CA 2.537 58.298 55.803 -0.071 0.000 0.855 188 Q CB -0.828 27.884 28.738 -0.044 0.000 0.911 188 Q HN 0.175 8.404 8.270 -0.069 0.000 0.438 189 D N 1.284 121.601 120.400 -0.138 0.000 2.077 189 D HA -0.279 4.328 4.640 -0.056 0.000 0.196 189 D C 2.426 178.564 176.300 -0.270 0.000 0.986 189 D CA 4.492 58.398 54.000 -0.157 0.000 0.829 189 D CB 0.348 41.060 40.800 -0.146 0.000 0.983 189 D HN -0.479 7.707 8.370 -0.141 0.100 0.453 190 V N -2.910 116.690 119.914 -0.522 0.000 2.407 190 V HA -0.460 3.384 4.120 -0.459 0.000 0.248 190 V C 1.635 177.611 176.094 -0.197 0.000 1.055 190 V CA 3.972 65.995 62.300 -0.462 0.000 1.049 190 V CB -0.150 31.373 31.823 -0.500 0.000 0.662 190 V HN 0.203 7.922 8.190 -0.582 0.122 0.455 191 I N 0.555 121.032 120.570 -0.155 0.000 2.163 191 I HA -0.479 3.640 4.170 -0.084 0.000 0.243 191 I C 2.396 178.471 176.117 -0.070 0.000 1.085 191 I CA 2.459 63.704 61.300 -0.092 0.000 1.347 191 I CB -1.913 36.046 38.000 -0.070 0.000 1.044 191 I HN -0.351 7.744 8.210 -0.178 0.008 0.408 192 S N -0.548 115.115 115.700 -0.063 0.000 2.355 192 S HA -0.301 4.144 4.470 -0.041 0.000 0.222 192 S C 2.123 176.712 174.600 -0.018 0.000 1.031 192 S CA 4.135 62.313 58.200 -0.037 0.000 0.993 192 S CB -0.119 63.066 63.200 -0.024 0.000 0.859 192 S HN 0.190 8.453 8.310 -0.077 0.000 0.453 193 T N 5.200 119.750 114.554 -0.006 0.000 2.622 193 T HA -0.412 3.967 4.350 0.048 0.000 0.266 193 T C 1.880 176.592 174.700 0.021 0.000 1.047 193 T CA 5.483 67.605 62.100 0.037 0.000 1.159 193 T CB -0.168 68.768 68.868 0.112 0.000 0.863 193 T HN 0.234 8.348 8.240 -0.030 0.108 0.422 194 I N 1.122 121.690 120.570 -0.004 0.000 2.163 194 I HA -0.570 3.607 4.170 0.011 0.000 0.243 194 I C 2.093 178.221 176.117 0.017 0.000 1.085 194 I CA 4.564 65.861 61.300 -0.006 0.000 1.347 194 I CB -0.511 37.460 38.000 -0.049 0.000 1.044 194 I HN 0.474 8.553 8.210 -0.030 0.113 0.408 195 G N -1.460 107.333 108.800 -0.011 0.000 2.459 195 G HA2 -0.417 3.545 3.960 0.003 0.000 0.217 195 G HA3 -0.417 3.513 3.960 -0.051 0.000 0.217 195 G C 1.072 175.980 174.900 0.014 0.000 1.183 195 G CA 2.036 47.130 45.100 -0.011 0.000 0.776 195 G HN -0.119 8.151 8.290 -0.032 0.000 0.552 196 Q N 1.643 121.441 119.800 -0.003 0.000 2.245 196 Q HA -0.230 4.092 4.340 -0.030 0.000 0.201 196 Q C 2.225 178.238 176.000 0.021 0.000 0.955 196 Q CA 2.241 58.042 55.803 -0.003 0.000 0.870 196 Q CB -0.060 28.677 28.738 -0.002 0.000 0.945 196 Q HN 0.121 8.278 8.270 -0.008 0.108 0.461 197 A N 0.095 122.934 122.820 0.032 0.000 1.845 197 A HA -0.261 4.046 4.320 -0.022 0.000 0.215 197 A C 2.211 179.821 177.584 0.044 0.000 1.195 197 A CA 2.896 54.942 52.037 0.014 0.000 0.616 197 A CB -0.907 18.096 19.000 0.006 0.000 0.832 197 A HN 0.299 8.364 8.150 0.033 0.105 0.443 198 F N 0.377 120.300 119.950 -0.044 0.000 2.216 198 F HA -0.338 4.168 4.527 -0.036 0.000 0.300 198 F C 1.764 177.594 175.800 0.051 0.000 1.085 198 F CA 2.895 60.886 58.000 -0.015 0.000 1.326 198 F CB 0.240 39.234 39.000 -0.011 0.000 1.027 198 F HN -0.028 8.403 8.300 0.219 0.000 0.497 199 E N 0.111 120.356 120.200 0.075 0.000 2.333 199 E HA -0.330 4.115 4.350 0.160 0.000 0.198 199 E C 2.512 179.121 176.600 0.016 0.000 1.007 199 E CA 2.493 58.916 56.400 0.038 0.000 0.845 199 E CB -0.376 29.293 29.700 -0.051 0.000 0.766 199 E HN -0.061 8.166 8.360 0.125 0.207 0.507 200 L N -0.413 120.790 121.223 -0.032 0.000 2.265 200 L HA -0.165 4.194 4.340 0.031 0.000 0.215 200 L C 0.655 177.493 176.870 -0.053 0.000 1.117 200 L CA 2.252 57.083 54.840 -0.014 0.000 0.782 200 L CB 0.265 42.316 42.059 -0.013 0.000 0.914 200 L HN -0.329 7.706 8.230 -0.038 0.173 0.441 201 R N -3.944 116.452 120.500 -0.174 0.000 2.659 201 R HA 0.172 4.442 4.340 -0.118 0.000 0.418 201 R C -1.215 174.912 176.300 -0.289 0.000 1.076 201 R CA -1.626 54.341 56.100 -0.222 0.000 1.093 201 R CB 0.225 30.357 30.300 -0.280 0.000 1.400 201 R HN -0.473 7.491 8.270 -0.262 0.149 0.583 202 F N 2.696 122.459 119.950 -0.311 0.000 2.445 202 F HA -0.082 4.268 4.527 -0.296 0.000 0.359 202 F C -0.865 174.897 175.800 -0.063 0.000 1.101 202 F CA 0.457 58.335 58.000 -0.203 0.000 1.177 202 F CB 0.684 39.641 39.000 -0.072 0.000 1.110 202 F HN -0.431 7.699 8.300 0.035 0.191 0.522 203 K N 6.532 126.570 120.400 -0.602 0.000 2.110 203 K HA 0.307 4.540 4.320 -0.146 0.000 0.263 203 K C 0.526 176.806 176.600 -0.534 0.000 0.975 203 K CA -1.135 54.936 56.287 -0.359 0.000 0.895 203 K CB 1.317 33.707 32.500 -0.184 0.000 1.060 203 K HN 0.211 8.049 8.250 -0.686 0.000 0.448 204 Q N 1.870 121.590 119.800 -0.134 0.000 2.444 204 Q HA -0.066 4.214 4.340 -0.100 0.000 0.206 204 Q C 0.383 176.308 176.000 -0.126 0.000 0.948 204 Q CA 1.867 57.607 55.803 -0.106 0.000 0.946 204 Q CB -0.258 28.453 28.738 -0.045 0.000 1.027 204 Q HN 0.579 8.870 8.270 0.036 0.000 0.513 205 Y N -1.607 118.590 120.300 -0.173 0.000 2.509 205 Y HA -0.156 4.349 4.550 -0.074 0.000 0.293 205 Y C -0.762 175.076 175.900 -0.103 0.000 1.133 205 Y CA 0.511 58.544 58.100 -0.112 0.000 1.283 205 Y CB 0.094 38.492 38.460 -0.104 0.000 1.001 205 Y HN 0.120 8.446 8.280 0.217 0.084 0.555 206 L N -7.031 114.178 121.223 -0.023 0.000 2.389 206 L HA 0.482 4.831 4.340 0.015 0.000 0.249 206 L C -0.848 176.025 176.870 0.005 0.000 1.083 206 L CA -1.078 53.752 54.840 -0.017 0.000 0.876 206 L CB 1.926 43.974 42.059 -0.019 0.000 1.489 206 L HN -0.801 7.290 8.230 -0.125 0.064 0.412 207 R N 0.000 120.542 120.500 0.069 0.000 2.786 207 R HA 0.000 4.403 4.340 0.105 0.000 0.208 207 R CA 0.000 56.191 56.100 0.152 0.000 0.921 207 R CB 0.000 30.523 30.300 0.371 0.000 0.687 207 R HN 0.000 8.297 8.270 0.045 0.000 0.535