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 2ki6_1_A DATA FIRST_RESID 1 DATA SEQUENCE EKLGKLQYSL DYDFQNNQLL VGIIQAAELP ALDMGGTSDP YVKVFLLPDK DATA SEQUENCE KKKFETKVHR KTLNPVFNEQ FTFKVPYSEL GGKTLVMAVY DFDRFSKHDI DATA SEQUENCE IGEFKVPMNT VDFGHVTEEW RDLQSAEK 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 E HA 0.000 4.356 4.350 0.011 0.000 0.291 1 E C 0.000 176.609 176.600 0.015 0.000 1.382 1 E CA 0.000 56.408 56.400 0.014 0.000 0.976 1 E CB 0.000 29.710 29.700 0.018 0.000 0.812 2 K N 0.738 121.145 120.400 0.012 0.000 2.468 2 K HA 0.356 4.789 4.320 0.015 -0.104 0.252 2 K C -1.436 175.170 176.600 0.010 0.000 0.932 2 K CA -0.875 55.418 56.287 0.011 0.000 0.794 2 K CB 2.062 34.566 32.500 0.005 0.000 1.241 2 K HN 0.254 8.509 8.250 0.009 0.000 0.428 3 L N 1.951 123.182 121.223 0.013 0.000 3.086 3 L HA 0.372 4.717 4.340 0.008 0.000 0.274 3 L C -0.843 176.030 176.870 0.004 0.000 1.184 3 L CA -0.984 53.864 54.840 0.014 0.000 1.002 3 L CB 2.359 44.437 42.059 0.032 0.000 1.383 3 L HN 0.691 8.839 8.230 0.015 0.091 0.582 4 G N -0.930 107.867 108.800 -0.005 0.000 2.601 4 G HA2 -0.322 3.626 3.960 -0.020 0.000 0.224 4 G HA3 -0.322 3.995 3.960 -0.022 -0.370 0.224 4 G C -2.123 172.756 174.900 -0.034 0.000 1.171 4 G CA -0.337 44.751 45.100 -0.020 0.000 1.009 4 G HN -0.827 7.462 8.290 -0.002 0.000 0.589 5 K N -0.165 120.202 120.400 -0.055 0.000 2.532 5 K HA 0.599 5.023 4.320 -0.099 -0.164 0.265 5 K C -2.660 173.871 176.600 -0.116 0.000 0.948 5 K CA -0.581 55.653 56.287 -0.089 0.000 0.842 5 K CB 5.341 37.790 32.500 -0.084 0.000 1.392 5 K HN 0.375 8.488 8.250 -0.053 0.105 0.436 6 L N 2.686 123.795 121.223 -0.191 0.000 2.439 6 L HA 0.747 5.199 4.340 -0.120 -0.184 0.270 6 L C -2.891 173.830 176.870 -0.249 0.000 0.972 6 L CA -1.460 53.258 54.840 -0.204 0.000 0.836 6 L CB 4.130 46.064 42.059 -0.208 0.000 1.255 6 L HN 1.062 9.032 8.230 -0.243 0.115 0.404 7 Q N 4.538 124.290 119.800 -0.081 0.000 2.243 7 Q HA 0.455 5.021 4.340 0.377 0.000 0.252 7 Q C -0.478 175.706 176.000 0.306 0.000 0.909 7 Q CA -2.409 53.493 55.803 0.165 0.000 0.922 7 Q CB 0.847 29.555 28.738 -0.051 0.000 1.215 7 Q HN 0.337 8.558 8.270 -0.081 0.000 0.427 8 Y N -1.315 119.164 120.300 0.298 0.000 2.609 8 Y HA 0.506 5.336 4.550 0.210 -0.155 0.336 8 Y C -2.739 173.264 175.900 0.172 0.000 1.129 8 Y CA -3.631 54.595 58.100 0.210 0.000 1.040 8 Y CB 2.855 41.422 38.460 0.179 0.000 1.310 8 Y HN 0.381 9.190 8.280 0.881 0.000 0.460 9 S N -0.244 115.586 115.700 0.216 0.000 2.745 9 S HA 0.394 4.979 4.470 -0.022 -0.129 0.283 9 S C -0.953 173.646 174.600 -0.003 0.000 1.170 9 S CA -0.727 57.506 58.200 0.056 0.000 1.119 9 S CB 0.862 64.123 63.200 0.102 0.000 1.035 9 S HN 0.992 9.329 8.310 0.263 0.130 0.483 10 L N 5.773 126.930 121.223 -0.109 0.000 2.282 10 L HA 0.899 5.470 4.340 -0.018 -0.242 0.288 10 L C -0.709 176.163 176.870 0.003 0.000 1.033 10 L CA -1.191 53.608 54.840 -0.068 0.000 0.807 10 L CB 1.023 42.991 42.059 -0.151 0.000 1.209 10 L HN 0.872 8.860 8.230 -0.204 0.120 0.423 11 D N 0.811 121.232 120.400 0.035 0.000 2.450 11 D HA 0.573 5.319 4.640 0.176 0.000 0.238 11 D C -1.330 175.047 176.300 0.128 0.000 1.020 11 D CA -1.935 52.121 54.000 0.092 0.000 1.010 11 D CB 3.841 44.652 40.800 0.017 0.000 1.342 11 D HN 0.523 8.901 8.370 0.014 0.000 0.530 12 Y N -4.418 115.912 120.300 0.049 0.000 2.468 12 Y HA 0.513 5.052 4.550 -0.018 0.000 0.342 12 Y C -2.013 173.910 175.900 0.039 0.000 1.021 12 Y CA -2.291 55.829 58.100 0.034 0.000 1.079 12 Y CB 2.539 41.039 38.460 0.068 0.000 1.226 12 Y HN -0.369 8.000 8.280 0.148 0.000 0.460 13 D N 2.779 123.181 120.400 0.002 0.000 2.408 13 D HA 0.273 4.693 4.640 -0.367 0.000 0.243 13 D C -0.710 175.600 176.300 0.018 0.000 1.075 13 D CA -1.784 52.123 54.000 -0.155 0.000 0.832 13 D CB 2.715 43.423 40.800 -0.154 0.000 1.162 13 D HN 0.142 8.572 8.370 0.100 0.000 0.515 14 F N 2.487 122.457 119.950 0.034 0.000 2.641 14 F HA 0.388 5.029 4.527 0.189 0.000 0.302 14 F C -0.265 175.589 175.800 0.089 0.000 1.098 14 F CA -1.080 56.979 58.000 0.099 0.000 1.318 14 F CB -0.209 38.821 39.000 0.049 0.000 1.035 14 F HN 0.373 8.197 8.300 -0.794 0.000 0.551 15 Q N 2.596 122.275 119.800 -0.201 0.000 2.287 15 Q HA -0.052 4.303 4.340 0.026 0.000 0.201 15 Q C 1.122 177.110 176.000 -0.019 0.000 0.946 15 Q CA 1.302 57.041 55.803 -0.107 0.000 0.868 15 Q CB 0.793 29.383 28.738 -0.246 0.000 0.967 15 Q HN 0.386 8.789 8.270 -0.350 -0.342 0.516 16 N N -1.690 116.983 118.700 -0.044 0.000 2.322 16 N HA -0.051 4.683 4.740 -0.010 0.000 0.181 16 N C 0.203 175.720 175.510 0.011 0.000 1.088 16 N CA -0.066 52.972 53.050 -0.020 0.000 0.885 16 N CB 1.026 39.484 38.487 -0.048 0.000 1.013 16 N HN -0.017 8.755 8.380 -0.096 -0.449 0.472 17 N N -1.014 117.720 118.700 0.058 0.000 2.765 17 N HA -0.348 4.650 4.740 0.221 -0.125 0.254 17 N C -2.426 173.110 175.510 0.043 0.000 1.094 17 N CA 1.328 54.442 53.050 0.107 0.000 0.680 17 N CB -1.583 36.945 38.487 0.069 0.000 0.902 17 N HN -0.421 8.140 8.380 0.051 -0.150 0.557 18 Q N -7.143 112.685 119.800 0.046 0.000 2.353 18 Q HA 0.571 5.103 4.340 0.037 -0.171 0.275 18 Q C -1.748 174.284 176.000 0.052 0.000 1.029 18 Q CA -1.525 54.291 55.803 0.022 0.000 0.848 18 Q CB 3.822 32.528 28.738 -0.053 0.000 1.390 18 Q HN -0.594 7.751 8.270 0.058 -0.040 0.401 19 L N 1.706 122.991 121.223 0.104 0.000 2.292 19 L HA 0.327 4.788 4.340 0.054 -0.088 0.284 19 L C -1.241 175.590 176.870 -0.065 0.000 1.065 19 L CA -0.660 54.200 54.840 0.032 0.000 0.806 19 L CB 1.584 43.610 42.059 -0.056 0.000 1.175 19 L HN 0.101 8.464 8.230 0.222 0.000 0.431 20 L N 5.570 126.764 121.223 -0.048 0.000 2.282 20 L HA 0.390 4.792 4.340 -0.102 -0.123 0.287 20 L C -1.406 175.448 176.870 -0.025 0.000 1.075 20 L CA -1.837 52.967 54.840 -0.060 0.000 0.839 20 L CB -0.249 41.787 42.059 -0.038 0.000 1.219 20 L HN 1.217 9.324 8.230 -0.009 0.118 0.434 21 V N 8.369 128.272 119.914 -0.020 0.000 2.229 21 V HA -0.016 4.153 4.120 0.082 0.000 0.245 21 V C -1.141 175.070 176.094 0.194 0.000 1.243 21 V CA 0.396 62.773 62.300 0.129 0.000 1.176 21 V CB -0.997 31.035 31.823 0.348 0.000 1.323 21 V HN 0.880 8.998 8.190 -0.120 0.000 0.499 22 G N 8.211 117.098 108.800 0.145 0.000 2.663 22 G HA2 0.287 4.351 3.960 0.174 0.000 0.320 22 G HA3 0.287 4.352 3.960 0.124 -0.031 0.320 22 G C -1.429 173.616 174.900 0.242 0.000 0.937 22 G CA -1.257 43.943 45.100 0.168 0.000 1.332 22 G HN -0.175 8.145 8.290 0.092 0.025 0.461 23 I N 3.481 124.235 120.570 0.307 0.000 2.662 23 I HA 0.152 4.645 4.170 0.450 -0.053 0.291 23 I C -1.286 174.988 176.117 0.262 0.000 1.046 23 I CA -2.261 59.252 61.300 0.356 0.000 1.361 23 I CB 1.053 39.278 38.000 0.375 0.000 1.429 23 I HN -0.650 7.740 8.210 0.300 0.000 0.558 24 I N 2.193 122.903 120.570 0.232 0.000 2.364 24 I HA -0.024 4.400 4.170 0.154 -0.161 0.241 24 I C -0.251 175.932 176.117 0.109 0.000 1.082 24 I CA 2.300 63.693 61.300 0.155 0.000 1.401 24 I CB 1.026 39.102 38.000 0.126 0.000 1.126 24 I HN 1.047 9.276 8.210 0.267 0.141 0.429 25 Q N -6.236 113.606 119.800 0.070 0.000 2.943 25 Q HA 0.175 4.544 4.340 0.049 0.000 0.305 25 Q C -2.714 173.278 176.000 -0.013 0.000 0.873 25 Q CA -0.816 55.001 55.803 0.024 0.000 0.773 25 Q CB 1.579 30.309 28.738 -0.013 0.000 1.501 25 Q HN -0.642 7.670 8.270 0.071 0.000 0.442 26 A N -1.665 121.135 122.820 -0.033 0.000 2.350 26 A HA 0.896 5.343 4.320 -0.050 -0.156 0.324 26 A C -2.355 175.195 177.584 -0.056 0.000 1.118 26 A CA -2.038 49.975 52.037 -0.039 0.000 0.783 26 A CB 3.264 22.260 19.000 -0.007 0.000 1.236 26 A HN -0.170 7.952 8.150 -0.047 0.000 0.457 27 A N 1.108 123.890 122.820 -0.064 0.000 2.386 27 A HA 0.478 4.898 4.320 -0.056 -0.134 0.311 27 A C -1.614 175.942 177.584 -0.046 0.000 1.068 27 A CA -2.003 49.996 52.037 -0.063 0.000 0.743 27 A CB 3.424 22.371 19.000 -0.089 0.000 1.258 27 A HN 1.188 9.176 8.150 -0.069 0.121 0.429 28 E N -0.136 120.042 120.200 -0.037 0.000 2.689 28 E HA -0.422 3.914 4.350 -0.023 0.000 0.165 28 E C -1.851 174.738 176.600 -0.018 0.000 1.609 28 E CA 0.782 57.167 56.400 -0.026 0.000 0.674 28 E CB -2.247 27.436 29.700 -0.028 0.000 1.103 28 E HN 0.467 9.215 8.360 -0.038 -0.411 0.373 29 L N 0.986 122.201 121.223 -0.013 0.000 2.331 29 L HA 0.452 4.945 4.340 -0.005 -0.156 0.275 29 L C -2.016 174.851 176.870 -0.006 0.000 1.022 29 L CA -2.955 51.881 54.840 -0.006 0.000 0.812 29 L CB 0.806 42.865 42.059 -0.001 0.000 1.257 29 L HN -0.758 7.464 8.230 -0.014 0.000 0.435 30 P HA -0.024 4.391 4.420 -0.009 0.000 0.269 30 P C -1.461 175.833 177.300 -0.011 0.000 1.215 30 P CA -0.425 62.670 63.100 -0.009 0.000 0.780 30 P CB 0.602 32.295 31.700 -0.011 0.000 0.898 31 A N 0.980 123.793 122.820 -0.011 0.000 2.293 31 A HA 0.660 4.975 4.320 -0.008 0.000 0.302 31 A C -0.650 176.925 177.584 -0.016 0.000 1.119 31 A CA -0.834 51.196 52.037 -0.011 0.000 0.823 31 A CB 2.255 21.248 19.000 -0.011 0.000 1.097 31 A HN 0.086 8.230 8.150 -0.011 0.000 0.491 32 L N -0.105 121.109 121.223 -0.016 0.000 2.658 32 L HA 0.312 4.640 4.340 -0.020 0.000 0.201 32 L C -0.003 176.857 176.870 -0.015 0.000 1.050 32 L CA 0.830 55.659 54.840 -0.018 0.000 0.893 32 L CB 1.945 43.987 42.059 -0.027 0.000 1.503 32 L HN -0.099 8.125 8.230 -0.011 0.000 0.485 33 D N -0.477 119.916 120.400 -0.012 0.000 2.368 33 D HA -0.084 4.540 4.640 -0.028 0.000 0.240 33 D C -0.468 175.810 176.300 -0.038 0.000 1.169 33 D CA 0.245 54.231 54.000 -0.023 0.000 0.906 33 D CB 1.385 42.179 40.800 -0.011 0.000 1.187 33 D HN -0.697 7.669 8.370 -0.006 0.000 0.435 34 M N 2.331 121.892 119.600 -0.065 0.000 2.341 34 M HA -0.112 4.337 4.480 -0.052 0.000 0.336 34 M C -0.348 175.924 176.300 -0.048 0.000 1.489 34 M CA -0.266 54.996 55.300 -0.065 0.000 1.278 34 M CB -1.181 31.361 32.600 -0.097 0.000 1.657 34 M HN 0.217 8.453 8.290 -0.089 0.000 0.455 35 G N 3.765 112.545 108.800 -0.033 0.000 4.106 35 G HA2 -0.124 3.821 3.960 -0.025 0.000 0.220 35 G HA3 -0.124 3.823 3.960 -0.022 0.000 0.220 35 G C -0.302 174.589 174.900 -0.016 0.000 0.853 35 G CA -0.056 45.029 45.100 -0.024 0.000 0.920 35 G HN 0.163 8.434 8.290 -0.031 0.000 0.715 36 G N 0.202 108.993 108.800 -0.015 0.000 2.137 36 G HA2 -0.316 3.637 3.960 -0.012 0.000 0.237 36 G HA3 -0.316 3.638 3.960 -0.010 0.000 0.237 36 G C -0.914 173.982 174.900 -0.006 0.000 1.002 36 G CA 0.200 45.293 45.100 -0.011 0.000 0.702 36 G HN 0.008 8.286 8.290 -0.019 0.000 0.515 37 T N -5.237 109.315 114.554 -0.004 0.000 2.754 37 T HA 0.330 4.683 4.350 0.005 0.000 0.296 37 T C -1.646 173.059 174.700 0.008 0.000 1.205 37 T CA -1.924 60.179 62.100 0.005 0.000 1.009 37 T CB 2.924 71.800 68.868 0.013 0.000 1.368 37 T HN -0.849 7.357 8.240 -0.008 0.029 0.509 38 S N -1.410 114.303 115.700 0.022 0.000 2.688 38 S HA 0.151 4.633 4.470 0.021 0.000 0.275 38 S C -2.223 172.414 174.600 0.062 0.000 1.175 38 S CA -0.313 57.904 58.200 0.027 0.000 0.818 38 S CB 3.557 66.763 63.200 0.009 0.000 1.157 38 S HN -0.023 8.304 8.310 0.029 0.000 0.482 39 D N 1.577 122.024 120.400 0.079 0.000 2.930 39 D HA 0.821 5.846 4.640 0.148 -0.296 0.304 39 D C -1.584 174.816 176.300 0.166 0.000 1.298 39 D CA -2.616 51.469 54.000 0.141 0.000 0.949 39 D CB 0.772 41.687 40.800 0.193 0.000 1.013 39 D HN 0.487 9.322 8.370 0.051 -0.434 0.510 40 P HA 0.142 4.784 4.420 0.048 -0.193 0.276 40 P C -1.736 175.753 177.300 0.314 0.000 1.243 40 P CA -0.477 62.707 63.100 0.140 0.000 0.768 40 P CB -0.020 31.733 31.700 0.087 0.000 0.856 41 Y N 2.984 123.367 120.300 0.139 0.000 2.406 41 Y HA 0.366 5.066 4.550 0.250 0.000 0.340 41 Y C -2.773 173.198 175.900 0.118 0.000 0.975 41 Y CA -2.632 55.528 58.100 0.100 0.000 1.056 41 Y CB 2.828 41.207 38.460 -0.135 0.000 1.210 41 Y HN 1.374 9.497 8.280 -0.036 0.135 0.448 42 V N 1.125 121.158 119.914 0.198 0.000 2.470 42 V HA 0.259 4.509 4.120 -0.040 -0.154 0.276 42 V C -0.664 175.521 176.094 0.152 0.000 1.040 42 V CA -0.987 61.367 62.300 0.090 0.000 1.008 42 V CB -0.067 31.846 31.823 0.150 0.000 0.990 42 V HN -0.023 8.368 8.190 0.333 0.000 0.477 43 K N 5.653 126.063 120.400 0.016 0.000 2.347 43 K HA 0.520 5.171 4.320 0.298 -0.152 0.262 43 K C -0.010 176.707 176.600 0.196 0.000 1.052 43 K CA -2.350 54.048 56.287 0.186 0.000 0.946 43 K CB 0.289 32.885 32.500 0.160 0.000 1.220 43 K HN 0.993 9.063 8.250 -0.121 0.107 0.450 44 V N 1.174 121.123 119.914 0.058 0.000 2.450 44 V HA -0.010 3.999 4.120 -0.186 0.000 0.281 44 V C -1.554 174.532 176.094 -0.013 0.000 1.019 44 V CA 0.747 62.910 62.300 -0.228 0.000 1.062 44 V CB -0.560 30.598 31.823 -1.108 0.000 0.979 44 V HN -0.358 7.878 8.190 0.076 0.000 0.477 45 F N 7.179 127.019 119.950 -0.184 0.000 2.618 45 F HA 0.487 4.982 4.527 -0.054 0.000 0.332 45 F C -1.288 174.523 175.800 0.018 0.000 1.061 45 F CA -1.762 56.196 58.000 -0.071 0.000 0.974 45 F CB 4.743 43.702 39.000 -0.068 0.000 1.310 45 F HN 0.349 8.736 8.300 0.145 0.000 0.491 46 L N -1.975 119.360 121.223 0.186 0.000 2.376 46 L HA 0.414 4.886 4.340 0.220 0.000 0.258 46 L C -0.463 176.494 176.870 0.145 0.000 1.013 46 L CA -1.628 53.318 54.840 0.177 0.000 0.822 46 L CB 4.246 46.391 42.059 0.142 0.000 1.388 46 L HN 0.141 8.449 8.230 0.130 0.000 0.413 47 L N 0.083 121.386 121.223 0.134 0.000 2.367 47 L HA 0.329 4.729 4.340 0.100 0.000 0.215 47 L C -0.896 176.018 176.870 0.074 0.000 1.197 47 L CA -0.311 54.589 54.840 0.101 0.000 0.836 47 L CB -1.727 40.389 42.059 0.096 0.000 1.242 47 L HN -0.180 8.145 8.230 0.159 0.000 0.553 48 P HA -0.380 4.061 4.420 0.036 0.000 0.229 48 P C 0.693 178.007 177.300 0.023 0.000 1.152 48 P CA 2.693 65.816 63.100 0.038 0.000 0.915 48 P CB -0.349 31.371 31.700 0.033 0.000 0.784 49 D N -3.018 117.397 120.400 0.024 0.000 2.192 49 D HA -0.269 4.364 4.640 -0.011 0.000 0.189 49 D C 1.189 177.477 176.300 -0.021 0.000 1.007 49 D CA 2.292 56.290 54.000 -0.003 0.000 0.859 49 D CB 0.244 41.041 40.800 -0.004 0.000 0.936 49 D HN 0.104 8.480 8.370 0.039 0.017 0.447 50 K N -6.717 113.677 120.400 -0.010 0.000 2.914 50 K HA -0.416 3.879 4.320 -0.042 0.000 0.253 50 K C -0.517 176.041 176.600 -0.071 0.000 0.986 50 K CA 1.292 57.556 56.287 -0.039 0.000 0.730 50 K CB -3.012 29.471 32.500 -0.027 0.000 1.228 50 K HN 0.428 8.600 8.250 0.018 0.089 0.483 51 K N -0.066 120.286 120.400 -0.080 0.000 2.997 51 K HA -0.084 4.188 4.320 -0.081 0.000 0.249 51 K C -1.708 174.836 176.600 -0.095 0.000 1.284 51 K CA -0.116 56.114 56.287 -0.095 0.000 1.245 51 K CB -1.203 31.227 32.500 -0.117 0.000 1.670 51 K HN -0.146 8.359 8.250 -0.078 -0.303 0.385 52 K N -3.411 116.946 120.400 -0.072 0.000 2.806 52 K HA 0.032 4.360 4.320 0.012 0.000 0.293 52 K C -2.689 173.856 176.600 -0.093 0.000 1.135 52 K CA -0.010 56.276 56.287 -0.002 0.000 0.960 52 K CB 1.370 33.952 32.500 0.138 0.000 1.374 52 K HN -0.628 7.486 8.250 -0.100 0.075 0.400 53 K N 4.050 124.409 120.400 -0.067 0.000 2.690 53 K HA 0.463 4.723 4.320 -0.387 -0.172 0.264 53 K C -2.144 174.448 176.600 -0.013 0.000 1.040 53 K CA 0.146 56.300 56.287 -0.220 0.000 0.946 53 K CB 1.890 34.187 32.500 -0.339 0.000 1.268 53 K HN 0.035 8.308 8.250 0.038 0.000 0.473 54 F N 6.115 125.975 119.950 -0.150 0.000 2.540 54 F HA 0.266 4.768 4.527 -0.042 0.000 0.317 54 F C -2.365 173.421 175.800 -0.024 0.000 1.104 54 F CA -0.741 57.223 58.000 -0.060 0.000 0.913 54 F CB 4.115 43.117 39.000 0.004 0.000 1.170 54 F HN -0.124 8.165 8.300 -0.019 0.000 0.450 55 E N 7.320 127.021 120.200 -0.831 0.000 2.145 55 E HA 0.250 4.541 4.350 -0.097 0.000 0.270 55 E C -0.617 175.464 176.600 -0.866 0.000 0.906 55 E CA -1.730 54.327 56.400 -0.573 0.000 0.761 55 E CB 2.216 31.604 29.700 -0.520 0.000 1.116 55 E HN 0.211 7.851 8.360 -1.200 0.000 0.408 56 T N 2.392 116.783 114.554 -0.271 0.000 2.726 56 T HA 0.025 4.342 4.350 -0.054 0.000 0.294 56 T C -0.080 174.328 174.700 -0.485 0.000 1.013 56 T CA -0.707 61.293 62.100 -0.166 0.000 0.996 56 T CB 1.182 70.133 68.868 0.138 0.000 1.016 56 T HN -0.184 8.124 8.240 0.114 0.000 0.529 57 K N 2.174 122.217 120.400 -0.595 0.000 2.349 57 K HA -0.112 3.860 4.320 -0.581 0.000 0.288 57 K C -0.379 175.669 176.600 -0.919 0.000 1.058 57 K CA -0.405 55.472 56.287 -0.684 0.000 0.953 57 K CB 0.583 32.711 32.500 -0.621 0.000 0.997 57 K HN 0.088 8.348 8.250 -0.623 -0.383 0.477 58 V N 4.951 124.420 119.914 -0.742 0.000 2.644 58 V HA -0.223 3.589 4.120 -0.513 0.000 0.305 58 V C -1.323 174.463 176.094 -0.513 0.000 1.053 58 V CA 0.935 62.866 62.300 -0.615 0.000 1.186 58 V CB 0.549 32.002 31.823 -0.617 0.000 0.895 58 V HN 0.289 8.055 8.190 -0.707 0.000 0.490 59 H N 7.909 126.978 119.070 -0.002 0.000 2.643 59 H HA 0.251 4.828 4.556 0.035 0.000 0.259 59 H C -1.140 174.223 175.328 0.059 0.000 1.298 59 H CA -2.333 53.737 56.048 0.037 0.000 1.301 59 H CB -0.401 29.393 29.762 0.053 0.000 1.422 59 H HN 0.249 8.441 8.280 -0.146 0.000 0.521 60 R N 3.539 124.115 120.500 0.127 0.000 2.504 60 R HA -0.301 4.514 4.340 0.122 -0.402 0.291 60 R C -0.328 176.033 176.300 0.102 0.000 0.974 60 R CA 0.090 56.257 56.100 0.112 0.000 1.077 60 R CB -0.698 29.655 30.300 0.090 0.000 0.926 60 R HN 0.377 8.702 8.270 0.092 0.000 0.407 61 K N 2.450 122.901 120.400 0.086 0.000 4.814 61 K HA -0.541 3.918 4.320 0.052 -0.108 0.295 61 K C -1.302 175.334 176.600 0.060 0.000 0.828 61 K CA 1.048 57.371 56.287 0.060 0.000 0.895 61 K CB -3.214 29.311 32.500 0.043 0.000 1.810 61 K HN 0.918 9.703 8.250 0.090 -0.481 0.418 62 T N -0.826 113.768 114.554 0.066 0.000 3.295 62 T HA 0.084 4.455 4.350 0.036 0.000 0.331 62 T C -1.678 173.042 174.700 0.034 0.000 1.142 62 T CA -0.667 61.463 62.100 0.051 0.000 1.078 62 T CB 1.072 69.981 68.868 0.068 0.000 1.150 62 T HN 0.436 8.720 8.240 0.074 0.000 0.465 63 L N 3.351 124.582 121.223 0.013 0.000 2.693 63 L HA 0.225 4.570 4.340 0.007 0.000 0.235 63 L C -1.104 175.757 176.870 -0.015 0.000 1.127 63 L CA -0.486 54.355 54.840 0.001 0.000 0.914 63 L CB 0.177 42.235 42.059 -0.002 0.000 1.193 63 L HN 0.207 8.443 8.230 0.010 0.000 0.502 64 N N -2.263 116.425 118.700 -0.020 0.000 2.639 64 N HA 0.416 5.352 4.740 -0.044 -0.223 0.265 64 N C -2.732 172.752 175.510 -0.042 0.000 1.689 64 N CA -1.274 51.754 53.050 -0.036 0.000 0.813 64 N CB 2.291 40.757 38.487 -0.034 0.000 1.353 64 N HN -0.849 7.461 8.380 -0.010 0.063 0.510 65 P HA 0.219 4.619 4.420 -0.034 0.000 0.284 65 P C -1.556 175.687 177.300 -0.096 0.000 1.258 65 P CA -0.732 62.311 63.100 -0.094 0.000 0.824 65 P CB 1.294 32.864 31.700 -0.216 0.000 1.038 66 V N -5.045 114.856 119.914 -0.021 0.000 2.715 66 V HA 0.260 4.393 4.120 0.022 0.000 0.310 66 V C -1.276 174.914 176.094 0.160 0.000 1.054 66 V CA -1.329 60.991 62.300 0.034 0.000 0.928 66 V CB 2.882 34.714 31.823 0.015 0.000 1.007 66 V HN -0.371 7.824 8.190 0.009 0.000 0.437 67 F N 5.540 125.499 119.950 0.014 0.000 1.982 67 F HA 0.059 4.634 4.527 0.080 0.000 0.353 67 F C -1.036 174.822 175.800 0.096 0.000 0.954 67 F CA 0.662 58.711 58.000 0.082 0.000 1.114 67 F CB 2.048 41.148 39.000 0.167 0.000 1.407 67 F HN -0.222 8.193 8.300 0.191 0.000 0.526 68 N N 0.643 119.575 118.700 0.387 0.000 2.643 68 N HA -0.342 4.771 4.740 0.267 -0.213 0.267 68 N C -2.018 173.720 175.510 0.381 0.000 1.158 68 N CA 0.299 53.523 53.050 0.289 0.000 0.684 68 N CB -0.531 38.047 38.487 0.152 0.000 0.879 68 N HN -0.083 8.523 8.380 0.376 0.000 0.553 69 E N -0.812 119.654 120.200 0.443 0.000 2.373 69 E HA -0.109 4.530 4.350 0.481 0.000 0.263 69 E C -0.862 175.858 176.600 0.199 0.000 1.073 69 E CA -0.113 56.514 56.400 0.379 0.000 0.894 69 E CB 1.123 31.027 29.700 0.340 0.000 1.008 69 E HN -0.140 8.465 8.360 0.409 0.000 0.420 70 Q N 3.272 123.118 119.800 0.076 0.000 2.398 70 Q HA 0.057 4.440 4.340 0.073 0.000 0.251 70 Q C -1.305 174.628 176.000 -0.111 0.000 0.999 70 Q CA -0.657 55.150 55.803 0.007 0.000 0.874 70 Q CB 0.266 29.002 28.738 -0.003 0.000 1.215 70 Q HN 0.246 8.562 8.270 0.077 0.000 0.470 71 F N 9.239 129.093 119.950 -0.160 0.000 2.405 71 F HA 0.301 4.577 4.527 -0.418 0.000 0.355 71 F C -2.100 173.667 175.800 -0.055 0.000 1.121 71 F CA -2.396 55.496 58.000 -0.180 0.000 1.112 71 F CB 1.536 40.524 39.000 -0.020 0.000 1.126 71 F HN 0.045 8.454 8.300 0.180 0.000 0.481 72 T N 11.622 125.992 114.554 -0.306 0.000 2.747 72 T HA 0.114 4.463 4.350 -0.329 -0.197 0.301 72 T C -1.090 173.229 174.700 -0.635 0.000 0.952 72 T CA 0.560 62.432 62.100 -0.380 0.000 0.983 72 T CB -0.081 68.696 68.868 -0.153 0.000 0.930 72 T HN 0.572 8.811 8.240 -0.001 0.000 0.494 73 F N 9.368 128.804 119.950 -0.856 0.000 2.662 73 F HA -0.131 3.941 4.527 -0.760 0.000 0.343 73 F C -1.304 174.338 175.800 -0.264 0.000 1.302 73 F CA -0.976 56.643 58.000 -0.635 0.000 1.142 73 F CB 0.058 38.785 39.000 -0.455 0.000 1.524 73 F HN 0.906 8.835 8.300 -0.447 0.103 0.668 74 K N 7.082 127.221 120.400 -0.434 0.000 2.163 74 K HA -0.136 4.046 4.320 -0.229 0.000 0.267 74 K C -1.265 175.040 176.600 -0.491 0.000 1.098 74 K CA -0.001 56.085 56.287 -0.335 0.000 1.062 74 K CB -1.686 30.695 32.500 -0.199 0.000 1.033 74 K HN 0.130 8.151 8.250 -0.340 0.025 0.396 75 V N 3.246 122.915 119.914 -0.408 0.000 2.915 75 V HA 0.098 4.067 4.120 -0.252 0.000 0.273 75 V C -2.966 173.059 176.094 -0.115 0.000 1.538 75 V CA -2.000 60.101 62.300 -0.333 0.000 0.946 75 V CB 4.626 36.102 31.823 -0.579 0.000 1.183 75 V HN -0.242 7.793 8.190 -0.258 0.000 0.446 76 P HA 0.114 4.684 4.420 -0.102 -0.212 0.265 76 P C 0.902 178.090 177.300 -0.187 0.000 1.193 76 P CA -0.336 62.664 63.100 -0.166 0.000 0.765 76 P CB 0.061 31.612 31.700 -0.248 0.000 0.823 77 Y N 4.256 124.498 120.300 -0.098 0.000 2.139 77 Y HA -0.488 3.819 4.550 -0.405 0.000 0.282 77 Y C 1.102 176.917 175.900 -0.142 0.000 1.179 77 Y CA 3.056 60.958 58.100 -0.329 0.000 1.161 77 Y CB -1.283 36.810 38.460 -0.611 0.000 0.970 77 Y HN 0.122 8.696 8.280 0.017 -0.283 0.511 78 S N -1.329 114.014 115.700 -0.595 0.000 2.442 78 S HA -0.346 4.150 4.470 0.043 0.000 0.236 78 S C 1.306 175.849 174.600 -0.096 0.000 1.007 78 S CA 2.639 60.692 58.200 -0.244 0.000 0.965 78 S CB -0.635 62.321 63.200 -0.407 0.000 0.773 78 S HN 0.146 7.568 8.310 -1.461 0.011 0.504 79 E N 0.604 120.735 120.200 -0.114 0.000 2.276 79 E HA 0.011 4.346 4.350 -0.025 0.000 0.193 79 E C 2.096 178.728 176.600 0.053 0.000 0.983 79 E CA 0.734 57.115 56.400 -0.032 0.000 0.861 79 E CB 0.724 30.389 29.700 -0.060 0.000 0.817 79 E HN -0.259 7.798 8.360 -0.192 0.188 0.485 80 L N -0.049 121.232 121.223 0.097 0.000 2.103 80 L HA -0.399 4.158 4.340 0.363 0.000 0.215 80 L C 1.767 178.712 176.870 0.124 0.000 1.080 80 L CA 3.405 58.355 54.840 0.184 0.000 0.764 80 L CB -0.505 41.599 42.059 0.075 0.000 0.890 80 L HN 0.153 8.307 8.230 0.041 0.101 0.435 81 G N -1.749 107.112 108.800 0.102 0.000 2.507 81 G HA2 -0.422 3.680 3.960 0.094 0.000 0.221 81 G HA3 -0.422 3.610 3.960 0.086 -0.021 0.221 81 G C 0.613 175.560 174.900 0.078 0.000 1.119 81 G CA 1.736 46.890 45.100 0.091 0.000 0.751 81 G HN -0.072 8.252 8.290 0.098 0.025 0.574 82 G N -2.048 106.799 108.800 0.079 0.000 3.707 82 G HA2 0.112 4.111 3.960 0.065 0.000 0.286 82 G HA3 0.112 4.105 3.960 0.056 0.000 0.286 82 G C -1.385 173.573 174.900 0.096 0.000 1.112 82 G CA -0.437 44.706 45.100 0.071 0.000 0.861 82 G HN -0.176 8.030 8.290 0.079 0.131 0.534 83 K N 1.400 121.885 120.400 0.141 0.000 2.579 83 K HA 0.331 4.746 4.320 0.158 0.000 0.250 83 K C -1.558 175.163 176.600 0.201 0.000 0.952 83 K CA -1.569 54.841 56.287 0.206 0.000 0.857 83 K CB 2.102 34.814 32.500 0.353 0.000 1.123 83 K HN -0.185 7.982 8.250 0.136 0.164 0.433 84 T N 5.978 120.630 114.554 0.162 0.000 2.727 84 T HA 0.119 4.535 4.350 0.111 0.000 0.298 84 T C -0.315 174.491 174.700 0.177 0.000 0.942 84 T CA -0.507 61.675 62.100 0.136 0.000 0.997 84 T CB -0.407 68.524 68.868 0.105 0.000 0.917 84 T HN 0.284 8.611 8.240 0.145 0.000 0.487 85 L N 5.026 126.357 121.223 0.180 0.000 2.417 85 L HA 0.284 4.815 4.340 0.317 0.000 0.268 85 L C -1.969 174.979 176.870 0.130 0.000 1.158 85 L CA -0.187 54.794 54.840 0.234 0.000 0.819 85 L CB 0.467 42.675 42.059 0.248 0.000 1.112 85 L HN 0.001 8.300 8.230 0.114 0.000 0.458 86 V N -4.634 115.334 119.914 0.090 0.000 2.525 86 V HA 0.621 4.815 4.120 -0.095 -0.131 0.299 86 V C -2.178 173.812 176.094 -0.174 0.000 1.034 86 V CA -2.582 59.691 62.300 -0.044 0.000 0.863 86 V CB 2.472 34.302 31.823 0.012 0.000 0.999 86 V HN 0.251 8.534 8.190 0.155 0.000 0.423 87 M N 7.858 127.151 119.600 -0.512 0.000 2.047 87 M HA 0.395 4.686 4.480 -0.314 0.000 0.342 87 M C -2.628 173.432 176.300 -0.400 0.000 1.058 87 M CA -1.533 53.417 55.300 -0.584 0.000 0.991 87 M CB 2.221 34.114 32.600 -1.179 0.000 1.474 87 M HN 1.151 8.904 8.290 -0.708 0.112 0.419 88 A N 7.520 130.210 122.820 -0.216 0.000 2.304 88 A HA 0.547 4.894 4.320 -0.126 -0.103 0.323 88 A C -2.683 174.826 177.584 -0.125 0.000 1.195 88 A CA -2.098 49.842 52.037 -0.162 0.000 0.826 88 A CB 2.541 21.410 19.000 -0.218 0.000 1.184 88 A HN 0.363 8.408 8.150 -0.175 0.000 0.496 89 V N 4.871 124.743 119.914 -0.070 0.000 2.368 89 V HA 0.142 4.320 4.120 -0.107 -0.121 0.266 89 V C -2.258 173.772 176.094 -0.106 0.000 1.045 89 V CA -1.273 60.982 62.300 -0.075 0.000 0.899 89 V CB 1.103 32.925 31.823 -0.003 0.000 1.006 89 V HN 0.607 8.660 8.190 -0.041 0.113 0.470 90 Y N 10.116 130.115 120.300 -0.502 0.000 2.361 90 Y HA 0.305 4.686 4.550 -0.282 0.000 0.332 90 Y C -1.848 173.848 175.900 -0.340 0.000 1.101 90 Y CA -1.611 56.181 58.100 -0.513 0.000 1.137 90 Y CB 3.596 41.560 38.460 -0.825 0.000 1.207 90 Y HN 1.204 9.088 8.280 -0.486 0.104 0.463 91 D N 5.248 125.365 120.400 -0.472 0.000 2.348 91 D HA 0.045 4.704 4.640 -0.055 -0.052 0.249 91 D C -1.860 174.356 176.300 -0.141 0.000 1.110 91 D CA -0.897 52.976 54.000 -0.211 0.000 0.967 91 D CB 2.488 43.171 40.800 -0.194 0.000 1.139 91 D HN -0.220 7.662 8.370 -0.813 0.000 0.466 92 F N 2.962 122.765 119.950 -0.245 0.000 2.677 92 F HA 0.166 4.021 4.527 -1.120 0.000 0.388 92 F C -0.160 175.502 175.800 -0.230 0.000 1.400 92 F CA -1.571 56.163 58.000 -0.443 0.000 1.162 92 F CB 1.628 40.516 39.000 -0.187 0.000 1.135 92 F HN 0.071 8.328 8.300 0.073 0.087 0.516 93 D N 1.201 121.523 120.400 -0.131 0.000 2.191 93 D HA -0.356 4.292 4.640 0.013 0.000 0.195 93 D C 0.710 176.991 176.300 -0.032 0.000 1.003 93 D CA 3.312 57.306 54.000 -0.010 0.000 0.867 93 D CB 0.172 41.011 40.800 0.064 0.000 0.926 93 D HN 0.241 9.044 8.370 -0.101 -0.494 0.450 94 R N -6.661 113.777 120.500 -0.104 0.000 3.822 94 R HA -0.346 3.859 4.340 -0.225 0.000 0.366 94 R C -1.559 174.786 176.300 0.075 0.000 1.137 94 R CA 1.291 57.315 56.100 -0.126 0.000 0.933 94 R CB -1.987 28.213 30.300 -0.167 0.000 1.522 94 R HN 0.453 8.670 8.270 -0.058 0.018 0.519 95 F N -2.532 117.395 119.950 -0.039 0.000 2.083 95 F HA 0.165 4.656 4.527 -0.061 0.000 0.259 95 F C -0.694 175.057 175.800 -0.082 0.000 0.953 95 F CA -0.136 57.831 58.000 -0.056 0.000 1.156 95 F CB 1.915 40.892 39.000 -0.039 0.000 1.297 95 F HN -0.265 8.546 8.300 0.212 -0.383 0.733 96 S N 0.215 116.042 115.700 0.211 0.000 2.694 96 S HA 0.143 4.620 4.470 0.012 0.000 0.278 96 S C -1.234 173.299 174.600 -0.111 0.000 1.152 96 S CA -0.622 57.619 58.200 0.069 0.000 1.010 96 S CB 1.268 64.551 63.200 0.138 0.000 1.104 96 S HN 0.213 9.236 8.310 0.299 -0.533 0.547 97 K N 1.122 121.458 120.400 -0.106 0.000 2.294 97 K HA -0.065 4.085 4.320 -0.282 0.000 0.288 97 K C -0.865 175.668 176.600 -0.111 0.000 1.072 97 K CA -0.488 55.704 56.287 -0.158 0.000 0.960 97 K CB -1.486 30.970 32.500 -0.074 0.000 1.043 97 K HN 0.103 8.323 8.250 -0.050 0.000 0.455 98 H N 4.112 123.130 119.070 -0.087 0.000 3.214 98 H HA -0.200 4.193 4.556 -0.272 0.000 0.291 98 H C -0.684 174.381 175.328 -0.438 0.000 0.926 98 H CA 0.210 56.080 56.048 -0.297 0.000 1.409 98 H CB -0.203 29.363 29.762 -0.327 0.000 1.406 98 H HN 0.194 8.027 8.280 -0.746 0.000 0.561 99 D N 2.028 122.248 120.400 -0.300 0.000 2.268 99 D HA 0.232 4.820 4.640 -0.085 0.000 0.249 99 D C -0.815 175.303 176.300 -0.303 0.000 1.008 99 D CA -1.109 52.767 54.000 -0.207 0.000 0.939 99 D CB 2.526 43.271 40.800 -0.091 0.000 1.170 99 D HN 0.054 8.286 8.370 -0.229 0.000 0.468 100 I N 2.506 123.041 120.570 -0.058 0.000 2.256 100 I HA 0.111 4.402 4.170 0.012 -0.113 0.294 100 I C 0.626 176.725 176.117 -0.030 0.000 1.127 100 I CA -0.826 60.482 61.300 0.014 0.000 1.247 100 I CB -0.828 37.224 38.000 0.087 0.000 1.460 100 I HN 0.229 8.445 8.210 0.010 0.000 0.511 101 I N -0.829 119.705 120.570 -0.061 0.000 2.399 101 I HA -0.242 3.906 4.170 -0.036 0.000 0.254 101 I C 0.131 176.241 176.117 -0.012 0.000 1.146 101 I CA 0.988 62.266 61.300 -0.037 0.000 1.412 101 I CB -0.219 37.758 38.000 -0.038 0.000 1.076 101 I HN -0.316 7.831 8.210 -0.104 0.000 0.432 102 G N -3.072 105.725 108.800 -0.006 0.000 2.322 102 G HA2 0.192 4.182 3.960 0.012 0.000 0.295 102 G HA3 0.192 4.190 3.960 0.025 -0.023 0.295 102 G C -3.290 171.619 174.900 0.014 0.000 1.369 102 G CA 0.364 45.472 45.100 0.013 0.000 0.821 102 G HN -0.868 7.380 8.290 -0.015 0.034 0.536 103 E N -3.623 116.603 120.200 0.042 0.000 2.439 103 E HA 0.992 5.457 4.350 0.008 -0.110 0.279 103 E C -2.607 174.078 176.600 0.142 0.000 1.077 103 E CA -1.240 55.176 56.400 0.026 0.000 0.849 103 E CB 4.449 34.119 29.700 -0.050 0.000 1.408 103 E HN 1.044 9.331 8.360 0.060 0.108 0.457 104 F N -3.365 116.601 119.950 0.026 0.000 2.678 104 F HA 0.538 5.087 4.527 0.036 0.000 0.308 104 F C -3.136 172.711 175.800 0.078 0.000 1.118 104 F CA -0.876 57.149 58.000 0.042 0.000 0.959 104 F CB 3.595 42.610 39.000 0.024 0.000 1.305 104 F HN 0.990 9.028 8.300 -0.242 0.117 0.443 105 K N 1.759 122.362 120.400 0.339 0.000 2.579 105 K HA 0.492 4.986 4.320 0.161 -0.078 0.284 105 K C -2.928 173.845 176.600 0.288 0.000 0.990 105 K CA -1.616 54.806 56.287 0.225 0.000 0.880 105 K CB 3.445 36.005 32.500 0.100 0.000 1.488 105 K HN -0.074 8.417 8.250 0.403 0.000 0.425 106 V N -0.492 119.558 119.914 0.225 0.000 2.891 106 V HA 0.355 4.568 4.120 0.155 0.000 0.304 106 V C -2.877 173.283 176.094 0.111 0.000 1.171 106 V CA -3.538 58.867 62.300 0.175 0.000 0.943 106 V CB 3.525 35.471 31.823 0.205 0.000 1.037 106 V HN -0.043 8.263 8.190 0.193 0.000 0.427 107 P HA 0.171 4.633 4.420 0.070 0.000 0.263 107 P C 0.043 177.371 177.300 0.046 0.000 1.247 107 P CA -0.076 63.063 63.100 0.065 0.000 0.876 107 P CB -0.048 31.686 31.700 0.057 0.000 0.928 108 M N 4.786 124.403 119.600 0.029 0.000 2.143 108 M HA -0.457 4.004 4.480 -0.033 0.000 0.258 108 M C 2.342 178.663 176.300 0.036 0.000 1.071 108 M CA 2.785 58.078 55.300 -0.010 0.000 1.088 108 M CB -1.685 30.868 32.600 -0.079 0.000 1.360 108 M HN 0.110 8.424 8.290 0.039 0.000 0.404 109 N N -1.859 116.873 118.700 0.054 0.000 2.192 109 N HA -0.242 4.551 4.740 0.088 0.000 0.188 109 N C 0.995 176.534 175.510 0.048 0.000 1.013 109 N CA 2.433 55.521 53.050 0.064 0.000 0.863 109 N CB -0.329 38.192 38.487 0.056 0.000 0.990 109 N HN 0.306 8.707 8.380 0.054 0.013 0.430 110 T N -1.476 113.100 114.554 0.036 0.000 3.113 110 T HA -0.109 4.249 4.350 0.012 0.000 0.256 110 T C 0.058 174.765 174.700 0.012 0.000 1.131 110 T CA 1.096 63.208 62.100 0.020 0.000 1.074 110 T CB 0.506 69.387 68.868 0.023 0.000 0.944 110 T HN -0.332 7.804 8.240 0.039 0.127 0.516 111 V N 4.132 124.060 119.914 0.024 0.000 2.267 111 V HA -0.058 4.061 4.120 -0.002 0.000 0.254 111 V C -1.503 174.613 176.094 0.037 0.000 1.144 111 V CA -0.848 61.462 62.300 0.017 0.000 0.992 111 V CB -0.594 31.232 31.823 0.005 0.000 1.199 111 V HN -0.068 7.917 8.190 0.036 0.226 0.493 112 D N 6.366 126.744 120.400 -0.037 0.000 2.359 112 D HA -0.160 4.372 4.640 -0.180 0.000 0.273 112 D C 0.428 176.614 176.300 -0.189 0.000 1.362 112 D CA -0.221 53.688 54.000 -0.152 0.000 1.010 112 D CB -0.737 39.952 40.800 -0.185 0.000 1.090 112 D HN -0.237 8.107 8.370 -0.044 0.000 0.521 113 F N 1.517 121.330 119.950 -0.228 0.000 2.626 113 F HA 0.203 4.612 4.527 -0.198 0.000 0.368 113 F C -0.547 174.940 175.800 -0.521 0.000 1.227 113 F CA -2.003 55.788 58.000 -0.348 0.000 1.302 113 F CB -2.527 36.199 39.000 -0.456 0.000 1.733 113 F HN -0.323 7.967 8.300 -0.016 0.000 0.672 114 G N 0.678 109.251 108.800 -0.378 0.000 2.394 114 G HA2 -0.201 3.407 3.960 -0.587 0.000 0.215 114 G HA3 -0.201 3.525 3.960 -0.390 0.000 0.215 114 G C -1.056 173.671 174.900 -0.288 0.000 1.165 114 G CA 1.103 45.939 45.100 -0.440 0.000 0.784 114 G HN 0.388 8.473 8.290 -0.238 0.063 0.535 115 H N -4.780 114.410 119.070 0.200 0.000 3.541 115 H HA 0.115 5.012 4.556 0.568 0.000 0.121 115 H C -2.198 173.313 175.328 0.305 0.000 1.206 115 H CA -0.033 56.215 56.048 0.334 0.000 1.090 115 H CB 3.211 33.053 29.762 0.133 0.000 0.943 115 H HN -0.217 8.135 8.280 0.121 0.000 0.220 116 V N -4.109 115.981 119.914 0.292 0.000 2.733 116 V HA 0.732 5.093 4.120 0.185 -0.130 0.306 116 V C -1.262 174.868 176.094 0.059 0.000 1.084 116 V CA -1.604 60.789 62.300 0.154 0.000 0.905 116 V CB 2.673 34.547 31.823 0.086 0.000 1.010 116 V HN -0.390 7.967 8.190 0.278 0.000 0.424 117 T N 8.922 123.478 114.554 0.002 0.000 3.005 117 T HA 0.131 4.441 4.350 -0.066 0.000 0.323 117 T C -0.954 173.642 174.700 -0.172 0.000 1.131 117 T CA 0.343 62.390 62.100 -0.088 0.000 0.977 117 T CB -0.773 68.025 68.868 -0.118 0.000 1.055 117 T HN 1.241 9.381 8.240 0.021 0.112 0.562 118 E N 7.104 127.222 120.200 -0.136 0.000 2.166 118 E HA 0.683 5.157 4.350 -0.121 -0.196 0.275 118 E C -0.918 175.547 176.600 -0.225 0.000 0.941 118 E CA -0.941 55.371 56.400 -0.146 0.000 0.784 118 E CB 2.346 31.980 29.700 -0.109 0.000 1.115 118 E HN 0.038 8.334 8.360 -0.106 0.000 0.399 119 E N 1.542 121.663 120.200 -0.132 0.000 2.409 119 E HA 0.177 4.100 4.350 -0.712 0.000 0.280 119 E C -1.816 174.863 176.600 0.133 0.000 1.079 119 E CA -1.504 54.757 56.400 -0.232 0.000 0.840 119 E CB 2.288 31.979 29.700 -0.014 0.000 1.309 119 E HN 0.362 8.797 8.360 0.125 0.000 0.447 120 W N -0.681 120.660 121.300 0.069 0.000 2.085 120 W HA 0.139 4.752 4.660 -0.078 0.000 0.392 120 W C -0.402 176.017 176.519 -0.165 0.000 0.862 120 W CA -2.095 55.218 57.345 -0.052 0.000 1.542 120 W CB -0.077 29.361 29.460 -0.037 0.000 1.672 120 W HN 0.543 8.555 8.180 -0.281 0.000 0.309 121 R N 3.547 123.935 120.500 -0.187 0.000 2.570 121 R HA -0.180 4.017 4.340 -0.238 0.000 0.277 121 R C -1.366 174.736 176.300 -0.330 0.000 1.039 121 R CA -0.264 55.555 56.100 -0.468 0.000 1.065 121 R CB 1.001 30.485 30.300 -1.361 0.000 0.964 121 R HN -0.539 7.534 8.270 -0.327 0.000 0.428 122 D N 3.723 124.004 120.400 -0.199 0.000 2.256 122 D HA 0.002 4.588 4.640 -0.090 0.000 0.250 122 D C -1.473 174.769 176.300 -0.097 0.000 1.093 122 D CA -0.573 53.364 54.000 -0.105 0.000 0.882 122 D CB 0.639 41.420 40.800 -0.033 0.000 1.185 122 D HN 0.043 8.318 8.370 -0.160 0.000 0.437 123 L N 0.456 121.653 121.223 -0.044 0.000 2.309 123 L HA 0.211 4.605 4.340 0.090 0.000 0.282 123 L C -0.615 176.281 176.870 0.044 0.000 1.036 123 L CA -0.977 53.882 54.840 0.031 0.000 0.806 123 L CB 1.478 43.557 42.059 0.033 0.000 1.220 123 L HN 0.451 8.551 8.230 -0.046 0.102 0.429 124 Q N 1.040 120.884 119.800 0.074 0.000 2.375 124 Q HA 0.501 4.922 4.340 0.035 -0.060 0.271 124 Q C -1.159 174.867 176.000 0.044 0.000 1.074 124 Q CA -2.192 53.642 55.803 0.051 0.000 0.808 124 Q CB 3.626 32.397 28.738 0.055 0.000 1.327 124 Q HN 0.241 8.581 8.270 0.116 0.000 0.441 125 S N 2.847 118.563 115.700 0.026 0.000 3.811 125 S HA 0.081 4.698 4.470 0.016 -0.138 0.205 125 S C -0.273 174.336 174.600 0.014 0.000 1.445 125 S CA -0.993 57.217 58.200 0.016 0.000 1.097 125 S CB -1.742 61.463 63.200 0.008 0.000 1.350 125 S HN 0.486 8.747 8.310 0.022 0.062 0.471 126 A N 2.699 125.530 122.820 0.019 0.000 2.457 126 A HA 0.052 4.380 4.320 0.015 0.000 0.298 126 A C -0.380 177.205 177.584 0.003 0.000 1.288 126 A CA -0.626 51.419 52.037 0.014 0.000 0.956 126 A CB 0.195 19.207 19.000 0.020 0.000 1.135 126 A HN -0.140 7.951 8.150 0.027 0.075 0.535 127 E N 5.959 126.160 120.200 0.003 0.000 2.053 127 E HA -0.165 4.186 4.350 0.001 0.000 0.297 127 E C -0.477 176.121 176.600 -0.004 0.000 1.173 127 E CA 0.106 56.507 56.400 0.001 0.000 1.219 127 E CB -1.069 28.633 29.700 0.003 0.000 1.103 127 E HN 0.325 8.688 8.360 0.006 0.000 0.476 128 K N 0.000 120.390 120.400 -0.016 0.000 2.780 128 K HA 0.000 4.310 4.320 -0.017 0.000 0.191 128 K CA 0.000 56.270 56.287 -0.028 0.000 0.838 128 K CB 0.000 32.482 32.500 -0.029 0.000 1.064 128 K HN 0.000 8.197 8.250 -0.019 0.041 0.543