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 1e3t_1_A DATA FIRST_RESID 29 DATA SEQUENCE RSVKAGSAED AAFIMKNASK VIIVPGYGMA VAQAQHALRE MADVLKKEGV DATA SEQUENCE EVSYAIHPVA GRMPGHMNVL LAEANVPYDE VFELEEINSS FQTADVAFVI DATA SEQUENCE GANDVTNPAA KTDPSSPIYG MPILDVEKAG TVLFIKRSMA SGYAGVENEL DATA SEQUENCE FFRNNTMMLF GDAKKMTEQI VQAMN 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 29 R HA 0.000 4.352 4.340 0.020 0.000 0.208 29 R C 0.000 176.282 176.300 -0.030 0.000 0.893 29 R CA 0.000 56.117 56.100 0.028 0.000 0.921 29 R CB 0.000 30.279 30.300 -0.036 0.000 0.687 30 S N 0.114 115.674 115.700 -0.233 0.000 3.733 30 S HA 0.230 4.008 4.470 -1.154 0.000 0.178 30 S C -0.871 173.367 174.600 -0.604 0.000 1.032 30 S CA 0.063 57.961 58.200 -0.504 0.000 1.191 30 S CB 1.464 64.662 63.200 -0.003 0.000 1.657 30 S HN 0.119 8.326 8.310 -0.172 0.000 0.863 31 V N 2.974 122.747 119.914 -0.236 0.000 5.734 31 V HA 0.127 4.130 4.120 -0.195 0.000 0.906 31 V C -2.674 173.392 176.094 -0.046 0.000 2.533 31 V CA 0.663 62.862 62.300 -0.168 0.000 4.566 31 V CB 0.388 32.102 31.823 -0.181 0.000 0.488 31 V HN 0.433 8.561 8.190 -0.103 0.000 0.663 32 K N -1.232 119.151 120.400 -0.027 0.000 2.283 32 K HA 0.568 4.897 4.320 0.015 0.000 0.257 32 K C -1.564 175.038 176.600 0.002 0.000 1.066 32 K CA -0.988 55.306 56.287 0.013 0.000 0.891 32 K CB 1.905 34.439 32.500 0.056 0.000 1.438 32 K HN -0.619 7.602 8.250 -0.050 0.000 0.464 33 A N -0.695 122.139 122.820 0.024 0.000 1.691 33 A HA 0.200 4.522 4.320 0.004 0.000 0.137 33 A C -0.903 176.711 177.584 0.049 0.000 1.444 33 A CA -0.055 51.993 52.037 0.019 0.000 1.955 33 A CB 0.394 19.398 19.000 0.006 0.000 1.909 33 A HN 0.270 8.446 8.150 0.043 0.000 1.201 34 G N 0.648 109.485 108.800 0.062 0.000 2.432 34 G HA2 0.065 4.080 3.960 0.092 0.000 0.257 34 G HA3 0.065 4.079 3.960 0.090 0.000 0.257 34 G C -0.592 174.382 174.900 0.122 0.000 1.238 34 G CA -0.276 44.879 45.100 0.091 0.000 0.838 34 G HN 0.125 8.445 8.290 0.049 0.000 0.547 35 S N 1.822 117.614 115.700 0.153 0.000 2.380 35 S HA -0.072 4.515 4.470 0.194 0.000 0.168 35 S C 1.866 176.542 174.600 0.126 0.000 1.296 35 S CA 0.135 58.440 58.200 0.175 0.000 2.072 35 S CB 0.531 63.872 63.200 0.236 0.000 0.456 35 S HN -0.138 8.263 8.310 0.151 0.000 0.388 36 A N 0.720 123.595 122.820 0.092 0.000 1.948 36 A HA -0.331 4.042 4.320 0.088 0.000 0.220 36 A C 1.537 179.177 177.584 0.094 0.000 1.177 36 A CA 3.240 55.324 52.037 0.079 0.000 0.636 36 A CB -1.007 18.018 19.000 0.043 0.000 0.815 36 A HN 0.567 8.761 8.150 0.073 0.000 0.449 37 E N -3.498 116.759 120.200 0.094 0.000 2.253 37 E HA -0.339 4.058 4.350 0.078 0.000 0.202 37 E C 1.238 177.926 176.600 0.146 0.000 1.014 37 E CA 2.962 59.422 56.400 0.101 0.000 0.823 37 E CB -0.521 29.239 29.700 0.100 0.000 0.736 37 E HN 0.268 8.672 8.360 0.092 0.011 0.478 38 D N -2.126 118.366 120.400 0.155 0.000 2.162 38 D HA -0.181 4.617 4.640 0.264 0.000 0.203 38 D C 1.795 178.220 176.300 0.208 0.000 0.967 38 D CA 2.411 56.529 54.000 0.197 0.000 0.840 38 D CB 0.513 41.397 40.800 0.140 0.000 0.972 38 D HN -0.055 8.220 8.370 0.133 0.175 0.482 39 A N 0.574 123.489 122.820 0.159 0.000 1.903 39 A HA -0.369 4.056 4.320 0.176 0.000 0.219 39 A C 1.593 179.269 177.584 0.152 0.000 1.191 39 A CA 3.040 55.175 52.037 0.163 0.000 0.638 39 A CB -1.039 18.046 19.000 0.141 0.000 0.823 39 A HN 0.209 8.324 8.150 0.139 0.118 0.451 40 A N -2.208 120.669 122.820 0.096 0.000 2.023 40 A HA -0.322 3.996 4.320 -0.003 0.000 0.223 40 A C 1.379 178.926 177.584 -0.063 0.000 1.180 40 A CA 2.760 54.791 52.037 -0.009 0.000 0.659 40 A CB -0.573 18.381 19.000 -0.076 0.000 0.817 40 A HN -0.469 7.740 8.150 0.095 -0.002 0.466 41 F N -4.378 115.597 119.950 0.041 0.000 2.164 41 F HA -0.218 4.321 4.527 0.020 0.000 0.287 41 F C 1.791 177.595 175.800 0.008 0.000 1.086 41 F CA 2.726 60.739 58.000 0.021 0.000 1.249 41 F CB 1.307 40.315 39.000 0.013 0.000 1.059 41 F HN -0.511 7.809 8.300 0.284 0.150 0.490 42 I N -4.541 116.158 120.570 0.216 0.000 3.001 42 I HA -0.351 3.817 4.170 -0.002 0.000 0.268 42 I C -0.126 175.996 176.117 0.009 0.000 1.267 42 I CA 2.192 63.514 61.300 0.037 0.000 1.472 42 I CB 0.135 38.133 38.000 -0.004 0.000 1.089 42 I HN -0.738 7.625 8.210 0.255 0.000 0.468 43 M N -2.889 116.818 119.600 0.179 0.000 3.135 43 M HA 0.039 4.957 4.480 0.730 0.000 0.218 43 M C 1.343 177.784 176.300 0.235 0.000 1.569 43 M CA 1.713 57.242 55.300 0.382 0.000 1.390 43 M CB 1.962 34.772 32.600 0.350 0.000 1.050 43 M HN 0.030 8.263 8.290 0.169 0.158 0.580 44 K N -2.397 118.073 120.400 0.117 0.000 2.522 44 K HA -0.171 4.188 4.320 0.064 0.000 0.194 44 K C -0.532 176.066 176.600 -0.004 0.000 1.026 44 K CA 1.325 57.638 56.287 0.044 0.000 1.119 44 K CB -0.338 32.162 32.500 -0.000 0.000 0.856 44 K HN -0.402 7.850 8.250 0.103 0.060 0.513 45 N N -2.021 116.688 118.700 0.016 0.000 2.600 45 N HA 0.013 4.840 4.740 -0.003 -0.089 0.246 45 N C -2.145 173.410 175.510 0.075 0.000 1.454 45 N CA 0.650 53.697 53.050 -0.005 0.000 1.120 45 N CB 1.149 39.539 38.487 -0.162 0.000 1.478 45 N HN -0.853 7.464 8.380 0.065 0.103 0.541 46 A N -0.084 122.774 122.820 0.063 0.000 2.646 46 A HA 0.434 4.794 4.320 0.066 0.000 0.312 46 A C -0.996 176.590 177.584 0.004 0.000 1.245 46 A CA -1.712 50.346 52.037 0.035 0.000 0.755 46 A CB 0.750 19.737 19.000 -0.022 0.000 1.132 46 A HN -0.545 7.644 8.150 0.065 0.000 0.458 47 S N 1.767 117.475 115.700 0.013 0.000 2.509 47 S HA -0.426 4.052 4.470 0.013 0.000 0.285 47 S C -0.030 174.564 174.600 -0.011 0.000 1.185 47 S CA 2.744 60.946 58.200 0.003 0.000 1.152 47 S CB -0.034 63.163 63.200 -0.005 0.000 1.088 47 S HN 0.272 8.599 8.310 0.028 0.000 0.446 48 K N -1.454 118.920 120.400 -0.043 0.000 2.615 48 K HA 0.370 4.780 4.320 -0.024 -0.105 0.249 48 K C -1.727 174.795 176.600 -0.130 0.000 0.977 48 K CA -0.861 55.391 56.287 -0.058 0.000 0.833 48 K CB 2.245 34.710 32.500 -0.058 0.000 1.208 48 K HN -0.674 7.528 8.250 -0.054 0.016 0.443 49 V N 2.048 121.865 119.914 -0.161 0.000 3.329 49 V HA 0.335 4.409 4.120 -0.345 -0.161 0.308 49 V C -1.534 174.512 176.094 -0.080 0.000 1.375 49 V CA -3.216 58.848 62.300 -0.394 0.000 1.015 49 V CB 3.169 34.225 31.823 -1.278 0.000 1.155 49 V HN 0.809 9.234 8.190 -0.049 -0.264 0.479 50 I N -3.887 116.704 120.570 0.035 0.000 2.630 50 I HA 0.190 4.782 4.170 0.459 -0.146 0.279 50 I C -1.609 174.951 176.117 0.737 0.000 1.235 50 I CA -0.713 60.845 61.300 0.431 0.000 1.096 50 I CB 1.878 39.990 38.000 0.187 0.000 1.318 50 I HN -0.062 7.830 8.210 -0.530 0.000 0.457 51 I N 7.262 128.199 120.570 0.613 0.000 2.671 51 I HA -0.131 4.210 4.170 0.070 -0.129 0.285 51 I C -0.924 175.296 176.117 0.171 0.000 1.148 51 I CA -0.299 61.042 61.300 0.068 0.000 1.386 51 I CB 0.432 38.217 38.000 -0.358 0.000 1.406 51 I HN 0.452 8.997 8.210 0.557 0.000 0.540 52 V N 8.665 128.665 119.914 0.143 0.000 2.288 52 V HA 0.540 4.683 4.120 0.039 0.000 0.266 52 V C -2.734 173.375 176.094 0.025 0.000 1.048 52 V CA -4.398 57.930 62.300 0.047 0.000 0.842 52 V CB 1.693 33.506 31.823 -0.015 0.000 1.064 52 V HN 0.872 9.065 8.190 0.190 0.111 0.472 53 P HA 0.069 4.510 4.420 0.035 0.000 0.269 53 P C -0.894 176.426 177.300 0.033 0.000 1.263 53 P CA -0.333 62.795 63.100 0.047 0.000 0.813 53 P CB -0.422 31.338 31.700 0.101 0.000 0.868 54 G N 3.311 112.147 108.800 0.061 0.000 2.882 54 G HA2 0.193 4.394 3.960 0.156 0.000 0.164 54 G HA3 0.193 4.192 3.960 0.066 0.000 0.164 54 G C -0.816 174.144 174.900 0.099 0.000 1.429 54 G CA -1.034 44.124 45.100 0.097 0.000 1.059 54 G HN 0.599 8.837 8.290 0.068 0.093 0.581 55 Y N 1.185 121.538 120.300 0.088 0.000 2.206 55 Y HA -0.064 4.532 4.550 0.078 0.000 0.292 55 Y C 1.891 177.825 175.900 0.057 0.000 1.123 55 Y CA 3.099 61.244 58.100 0.075 0.000 1.142 55 Y CB 0.911 39.417 38.460 0.077 0.000 1.006 55 Y HN -0.392 8.016 8.280 0.323 0.066 0.518 56 G N -2.472 106.489 108.800 0.269 0.000 2.464 56 G HA2 -0.420 3.614 3.960 0.123 0.000 0.214 56 G HA3 -0.420 3.635 3.960 0.158 0.000 0.214 56 G C 0.678 175.633 174.900 0.092 0.000 1.218 56 G CA 1.392 46.585 45.100 0.155 0.000 0.794 56 G HN -0.761 7.690 8.290 0.268 0.000 0.542 57 M N 2.298 121.941 119.600 0.072 0.000 4.073 57 M HA -0.589 3.892 4.480 0.001 0.000 0.288 57 M C 1.522 177.799 176.300 -0.038 0.000 0.920 57 M CA 3.457 58.765 55.300 0.014 0.000 0.995 57 M CB -0.555 32.060 32.600 0.026 0.000 1.351 57 M HN -0.281 8.068 8.290 0.098 0.000 0.639 58 A N -3.283 119.521 122.820 -0.026 0.000 1.968 58 A HA -0.066 4.269 4.320 -0.140 -0.100 0.217 58 A C 1.026 178.575 177.584 -0.060 0.000 1.169 58 A CA 2.338 54.331 52.037 -0.074 0.000 0.638 58 A CB -0.116 18.863 19.000 -0.036 0.000 0.812 58 A HN 0.216 8.369 8.150 0.006 0.000 0.446 59 V N -6.601 113.326 119.914 0.023 0.000 3.249 59 V HA 0.116 4.262 4.120 0.043 0.000 0.338 59 V C -1.209 174.917 176.094 0.053 0.000 1.363 59 V CA -0.784 61.553 62.300 0.062 0.000 1.205 59 V CB -1.270 30.642 31.823 0.150 0.000 1.164 59 V HN -0.349 7.782 8.190 0.057 0.093 0.458 60 A N 0.145 122.971 122.820 0.011 0.000 1.975 60 A HA 0.284 4.629 4.320 0.040 0.000 0.197 60 A C -0.186 177.408 177.584 0.015 0.000 1.537 60 A CA 0.822 52.872 52.037 0.022 0.000 0.972 60 A CB 2.012 21.027 19.000 0.024 0.000 1.019 60 A HN -0.591 7.340 8.150 -0.035 0.199 0.488 61 Q N -6.773 112.978 119.800 -0.082 0.000 7.135 61 Q HA -0.116 4.184 4.340 -0.067 0.000 0.334 61 Q C 1.028 176.849 176.000 -0.298 0.000 0.939 61 Q CA 0.924 56.665 55.803 -0.103 0.000 0.549 61 Q CB 0.600 29.406 28.738 0.114 0.000 0.467 61 Q HN -0.264 7.926 8.270 -0.135 0.000 0.817 62 A N 1.964 124.685 122.820 -0.166 0.000 1.903 62 A HA -0.422 3.897 4.320 -0.091 -0.054 0.219 62 A C 0.806 178.255 177.584 -0.224 0.000 1.191 62 A CA 3.618 55.571 52.037 -0.139 0.000 0.638 62 A CB -0.888 18.060 19.000 -0.088 0.000 0.823 62 A HN 0.142 8.231 8.150 -0.102 0.000 0.451 63 Q N -1.315 118.295 119.800 -0.316 0.000 2.084 63 Q HA -0.528 3.713 4.340 -0.165 0.000 0.215 63 Q C 1.151 176.994 176.000 -0.262 0.000 1.020 63 Q CA 3.181 58.803 55.803 -0.300 0.000 0.887 63 Q CB -0.297 28.223 28.738 -0.363 0.000 0.975 63 Q HN 0.011 8.016 8.270 -0.289 0.091 0.413 64 H N -6.615 112.448 119.070 -0.012 0.000 2.595 64 H HA 0.257 4.802 4.556 -0.017 0.000 0.265 64 H C 1.343 176.659 175.328 -0.021 0.000 0.953 64 H CA -0.185 55.854 56.048 -0.015 0.000 1.197 64 H CB 0.571 30.327 29.762 -0.011 0.000 1.438 64 H HN -0.522 6.864 8.280 -1.506 -0.009 0.531 65 A N 1.773 124.629 122.820 0.059 0.000 1.826 65 A HA -0.182 4.191 4.320 0.088 0.000 0.214 65 A C 1.193 178.764 177.584 -0.021 0.000 1.212 65 A CA 3.361 55.428 52.037 0.050 0.000 0.605 65 A CB -0.270 18.746 19.000 0.027 0.000 0.861 65 A HN 1.026 8.871 8.150 -0.124 0.230 0.447 66 L N -0.638 120.540 121.223 -0.075 0.000 2.349 66 L HA -0.277 3.975 4.340 -0.147 0.000 0.220 66 L C 1.585 178.400 176.870 -0.092 0.000 1.130 66 L CA 2.429 57.193 54.840 -0.127 0.000 0.791 66 L CB -2.055 39.900 42.059 -0.174 0.000 0.918 66 L HN -0.456 7.599 8.230 -0.088 0.122 0.444 67 R N 0.941 121.411 120.500 -0.050 0.000 2.064 67 R HA -0.343 3.968 4.340 -0.036 0.008 0.228 67 R C 1.890 178.181 176.300 -0.015 0.000 1.144 67 R CA 3.337 59.423 56.100 -0.024 0.000 0.932 67 R CB -0.316 29.990 30.300 0.012 0.000 0.833 67 R HN -0.361 7.814 8.270 -0.044 0.069 0.429 68 E N -0.652 119.550 120.200 0.005 0.000 2.153 68 E HA -0.383 3.967 4.350 0.001 0.000 0.194 68 E C 2.380 178.973 176.600 -0.012 0.000 0.988 68 E CA 2.296 58.697 56.400 0.002 0.000 0.811 68 E CB -0.363 29.346 29.700 0.014 0.000 0.746 68 E HN -0.450 7.925 8.360 0.026 0.000 0.466 69 M N 0.930 120.515 119.600 -0.026 0.000 2.084 69 M HA -0.415 4.054 4.480 -0.018 0.000 0.259 69 M C 1.366 177.640 176.300 -0.043 0.000 1.072 69 M CA 3.736 59.013 55.300 -0.038 0.000 1.107 69 M CB 0.039 32.593 32.600 -0.076 0.000 1.299 69 M HN 0.419 8.510 8.290 -0.026 0.183 0.413 70 A N -3.954 118.821 122.820 -0.075 0.000 2.255 70 A HA -0.310 3.980 4.320 -0.051 0.000 0.218 70 A C 0.473 178.043 177.584 -0.023 0.000 1.175 70 A CA 1.940 53.944 52.037 -0.056 0.000 0.682 70 A CB -0.582 18.375 19.000 -0.072 0.000 0.784 70 A HN 0.260 8.221 8.150 -0.099 0.130 0.482 71 D N -2.879 117.510 120.400 -0.019 0.000 3.161 71 D HA 0.120 4.753 4.640 -0.012 0.000 0.287 71 D C 1.581 177.878 176.300 -0.005 0.000 1.343 71 D CA 2.308 56.301 54.000 -0.011 0.000 1.070 71 D CB 1.713 42.506 40.800 -0.011 0.000 1.188 71 D HN -0.643 7.474 8.370 -0.022 0.240 0.409 72 V N 1.107 121.018 119.914 -0.004 0.000 3.026 72 V HA -0.225 3.893 4.120 -0.003 0.000 0.265 72 V C 0.491 176.587 176.094 0.003 0.000 1.121 72 V CA 2.554 64.853 62.300 -0.002 0.000 1.142 72 V CB -0.149 31.673 31.823 -0.003 0.000 0.730 72 V HN -0.046 8.141 8.190 -0.006 0.000 0.503 73 L N -5.781 115.447 121.223 0.008 0.000 2.547 73 L HA 0.466 4.945 4.340 0.018 -0.128 0.218 73 L C 0.825 177.716 176.870 0.033 0.000 1.048 73 L CA 1.214 56.068 54.840 0.024 0.000 0.859 73 L CB 0.828 42.908 42.059 0.036 0.000 1.128 73 L HN -0.331 7.905 8.230 0.004 -0.003 0.483 74 K N -0.686 119.732 120.400 0.029 0.000 2.211 74 K HA -0.144 4.422 4.320 0.053 -0.215 0.203 74 K C 2.494 179.106 176.600 0.019 0.000 1.050 74 K CA 2.371 58.678 56.287 0.033 0.000 0.945 74 K CB -0.642 31.870 32.500 0.021 0.000 0.732 74 K HN -0.529 7.636 8.250 0.017 0.095 0.451 75 K N -0.905 119.501 120.400 0.010 0.000 2.148 75 K HA -0.250 4.071 4.320 0.003 0.000 0.204 75 K C 1.150 177.754 176.600 0.006 0.000 1.050 75 K CA 2.486 58.776 56.287 0.005 0.000 0.942 75 K CB -0.394 32.107 32.500 0.000 0.000 0.724 75 K HN -0.198 8.032 8.250 0.009 0.026 0.446 76 E N -3.265 116.941 120.200 0.009 0.000 2.209 76 E HA -0.218 4.134 4.350 0.002 0.000 0.196 76 E C 0.878 177.484 176.600 0.010 0.000 0.993 76 E CA 0.953 57.357 56.400 0.007 0.000 0.819 76 E CB 0.122 29.826 29.700 0.007 0.000 0.745 76 E HN -0.612 7.624 8.360 0.012 0.131 0.477 77 G N -1.353 107.456 108.800 0.015 0.000 2.155 77 G HA2 -0.262 3.704 3.960 0.011 0.000 0.130 77 G HA3 -0.262 3.705 3.960 0.012 0.000 0.130 77 G C -1.401 173.513 174.900 0.023 0.000 1.027 77 G CA -0.514 44.595 45.100 0.015 0.000 0.705 77 G HN -0.336 7.807 8.290 0.019 0.159 0.496 78 V N 0.485 120.421 119.914 0.036 0.000 2.532 78 V HA 0.288 4.548 4.120 0.037 -0.118 0.295 78 V C -1.363 174.772 176.094 0.069 0.000 1.041 78 V CA -2.621 59.709 62.300 0.051 0.000 0.926 78 V CB 2.050 33.917 31.823 0.072 0.000 0.992 78 V HN -0.949 7.263 8.190 0.037 0.000 0.457 79 E N 8.749 128.988 120.200 0.066 0.000 2.342 79 E HA 0.165 4.556 4.350 0.069 0.000 0.257 79 E C -1.607 175.094 176.600 0.167 0.000 1.150 79 E CA -0.837 55.612 56.400 0.081 0.000 0.926 79 E CB 2.218 31.944 29.700 0.044 0.000 1.074 79 E HN 0.428 8.705 8.360 0.044 0.109 0.449 80 V N 1.585 121.606 119.914 0.179 0.000 2.795 80 V HA 0.196 4.603 4.120 0.479 0.000 0.272 80 V C -2.675 173.550 176.094 0.218 0.000 1.130 80 V CA -0.462 62.018 62.300 0.299 0.000 0.931 80 V CB 1.415 33.380 31.823 0.237 0.000 1.062 80 V HN 0.209 8.474 8.190 0.124 0.000 0.476 81 S N 5.828 121.684 115.700 0.260 0.000 2.748 81 S HA 0.577 5.612 4.470 0.238 -0.422 0.299 81 S C -2.063 172.759 174.600 0.370 0.000 1.119 81 S CA -1.816 56.549 58.200 0.274 0.000 0.997 81 S CB 2.832 66.165 63.200 0.222 0.000 1.223 81 S HN -0.552 7.995 8.310 0.293 -0.061 0.541 82 Y N -1.517 118.898 120.300 0.190 0.000 2.338 82 Y HA 0.556 5.348 4.550 0.137 -0.160 0.328 82 Y C -1.882 174.104 175.900 0.143 0.000 0.965 82 Y CA -3.654 54.533 58.100 0.144 0.000 1.208 82 Y CB 1.477 40.000 38.460 0.105 0.000 1.132 82 Y HN -0.368 8.315 8.280 0.671 0.000 0.469 83 A N 8.562 131.413 122.820 0.051 0.000 2.798 83 A HA 0.077 4.380 4.320 -0.028 0.000 0.316 83 A C -1.762 175.714 177.584 -0.180 0.000 1.506 83 A CA -0.549 51.455 52.037 -0.054 0.000 1.162 83 A CB -0.403 18.600 19.000 0.005 0.000 1.138 83 A HN 0.338 8.565 8.150 0.129 0.000 0.532 84 I N -2.725 117.644 120.570 -0.335 0.000 2.753 84 I HA 0.195 4.297 4.170 -0.114 0.000 0.291 84 I C -1.971 174.017 176.117 -0.215 0.000 1.425 84 I CA -2.069 59.081 61.300 -0.250 0.000 1.039 84 I CB 2.686 40.508 38.000 -0.296 0.000 1.349 84 I HN -0.447 7.502 8.210 -0.435 0.000 0.430 85 H N 4.547 123.527 119.070 -0.150 0.000 3.073 85 H HA -0.057 4.446 4.556 -0.088 0.000 0.340 85 H C -0.113 175.147 175.328 -0.115 0.000 1.054 85 H CA 2.034 58.018 56.048 -0.107 0.000 1.372 85 H CB 0.912 30.628 29.762 -0.076 0.000 1.314 85 H HN 0.430 8.768 8.280 0.096 0.000 0.603 86 P HA -0.075 4.362 4.420 0.028 0.000 0.277 86 P C -1.956 175.400 177.300 0.093 0.000 1.617 86 P CA 0.882 64.001 63.100 0.031 0.000 0.829 86 P CB -1.443 30.262 31.700 0.009 0.000 1.774 87 V N -8.976 110.995 119.914 0.095 0.000 4.604 87 V HA 0.264 4.528 4.120 0.021 -0.131 0.603 87 V C -1.208 174.876 176.094 -0.017 0.000 1.992 87 V CA -1.569 60.752 62.300 0.035 0.000 2.587 87 V CB -0.215 31.628 31.823 0.033 0.000 1.028 87 V HN -0.053 8.051 8.190 0.093 0.142 0.534 88 A N 1.176 123.990 122.820 -0.010 0.000 2.897 88 A HA -0.076 4.245 4.320 0.001 0.000 0.287 88 A C -0.594 176.918 177.584 -0.120 0.000 1.748 88 A CA 0.734 52.757 52.037 -0.024 0.000 1.397 88 A CB -1.089 17.905 19.000 -0.010 0.000 1.049 88 A HN -0.405 7.746 8.150 0.001 0.000 0.592 89 G N 2.702 111.348 108.800 -0.258 0.000 2.384 89 G HA2 -0.126 3.443 3.960 -0.651 0.000 0.113 89 G HA3 -0.126 2.919 3.960 -1.526 0.000 0.113 89 G C -1.097 173.311 174.900 -0.819 0.000 1.224 89 G CA 0.080 44.661 45.100 -0.865 0.000 1.126 89 G HN -0.140 8.042 8.290 -0.144 0.022 0.461 90 R N 0.235 120.368 120.500 -0.611 0.000 1.241 90 R HA 0.012 4.295 4.340 -0.095 0.000 0.092 90 R C 0.987 177.170 176.300 -0.195 0.000 1.017 90 R CA -0.124 55.831 56.100 -0.241 0.000 1.983 90 R CB 0.578 30.802 30.300 -0.127 0.000 0.739 90 R HN 0.126 8.076 8.270 -0.534 0.000 0.695 91 M N -1.056 118.331 119.600 -0.355 0.000 2.095 91 M HA -0.096 4.254 4.480 -0.218 0.000 0.254 91 M C -0.014 176.218 176.300 -0.113 0.000 1.249 91 M CA 0.926 56.030 55.300 -0.328 0.000 1.084 91 M CB -0.227 31.902 32.600 -0.785 0.000 1.327 91 M HN 0.017 7.979 8.290 -0.547 0.000 0.416 92 P HA 0.042 4.527 4.420 0.014 -0.056 0.204 92 P C 0.698 178.042 177.300 0.074 0.000 1.215 92 P CA 1.363 64.473 63.100 0.017 0.000 0.908 92 P CB 0.083 31.791 31.700 0.014 0.000 0.738 93 G N -2.000 106.849 108.800 0.081 0.000 3.180 93 G HA2 -0.113 3.880 3.960 0.056 0.000 0.252 93 G HA3 -0.113 3.901 3.960 0.090 0.000 0.252 93 G C -0.691 174.305 174.900 0.160 0.000 0.871 93 G CA 0.262 45.417 45.100 0.092 0.000 1.979 93 G HN 0.316 8.639 8.290 0.056 0.000 0.624 94 H N 2.674 121.741 119.070 -0.006 0.000 2.408 94 H HA 0.164 4.705 4.556 -0.024 0.000 0.271 94 H C 1.290 176.616 175.328 -0.003 0.000 0.957 94 H CA 0.816 56.853 56.048 -0.019 0.000 1.170 94 H CB 2.102 31.840 29.762 -0.039 0.000 1.458 94 H HN 0.304 8.614 8.280 0.198 0.089 0.491 95 M N -0.575 119.098 119.600 0.122 0.000 2.331 95 M HA -0.347 4.160 4.480 0.045 0.000 0.260 95 M C 1.210 177.583 176.300 0.120 0.000 1.072 95 M CA 1.994 57.351 55.300 0.095 0.000 1.065 95 M CB -0.646 32.021 32.600 0.112 0.000 1.392 95 M HN -0.177 8.198 8.290 0.141 0.000 0.427 96 N N -1.968 116.796 118.700 0.106 0.000 2.457 96 N HA -0.221 4.525 4.740 0.008 0.000 0.180 96 N C 1.563 177.032 175.510 -0.069 0.000 1.050 96 N CA 3.345 56.399 53.050 0.007 0.000 0.906 96 N CB 0.157 38.615 38.487 -0.048 0.000 0.968 96 N HN -0.061 8.325 8.380 0.112 0.062 0.445 97 V N 0.319 120.171 119.914 -0.103 0.000 2.244 97 V HA -0.355 3.676 4.120 -0.148 0.000 0.244 97 V C 1.116 177.154 176.094 -0.094 0.000 1.042 97 V CA 4.071 66.279 62.300 -0.152 0.000 1.006 97 V CB -0.636 31.005 31.823 -0.303 0.000 0.641 97 V HN 0.580 8.493 8.190 -0.094 0.220 0.446 98 L N -4.664 116.512 121.223 -0.080 0.000 2.137 98 L HA -0.403 3.895 4.340 -0.070 0.000 0.213 98 L C 1.942 178.788 176.870 -0.040 0.000 1.085 98 L CA 2.835 57.637 54.840 -0.063 0.000 0.760 98 L CB -1.399 40.623 42.059 -0.061 0.000 0.893 98 L HN -0.924 7.255 8.230 -0.085 0.000 0.434 99 L N -2.642 118.567 121.223 -0.023 0.000 2.072 99 L HA -0.233 4.099 4.340 -0.014 0.000 0.205 99 L C 2.261 179.141 176.870 0.017 0.000 1.079 99 L CA 1.925 56.760 54.840 -0.007 0.000 0.752 99 L CB -1.200 40.850 42.059 -0.015 0.000 0.906 99 L HN -0.845 7.248 8.230 -0.022 0.124 0.436 100 A N -1.354 121.468 122.820 0.004 0.000 1.862 100 A HA 0.012 4.388 4.320 0.094 0.000 0.211 100 A C 1.554 179.135 177.584 -0.004 0.000 1.220 100 A CA 2.140 54.190 52.037 0.022 0.000 0.616 100 A CB 0.131 19.098 19.000 -0.055 0.000 0.878 100 A HN 0.380 8.304 8.150 -0.033 0.206 0.453 101 E N -0.703 119.475 120.200 -0.037 0.000 2.171 101 E HA -0.336 3.999 4.350 -0.025 0.000 0.197 101 E C 0.870 177.469 176.600 -0.002 0.000 0.997 101 E CA 2.410 58.793 56.400 -0.029 0.000 0.810 101 E CB -0.469 29.198 29.700 -0.054 0.000 0.738 101 E HN 0.228 8.437 8.360 -0.064 0.113 0.467 102 A N -2.218 120.602 122.820 -0.000 0.000 1.838 102 A HA -0.253 4.095 4.320 0.047 0.000 0.215 102 A C -0.482 177.114 177.584 0.020 0.000 1.273 102 A CA 2.127 54.177 52.037 0.022 0.000 0.602 102 A CB 1.204 20.205 19.000 0.002 0.000 0.934 102 A HN -0.520 7.505 8.150 -0.014 0.116 0.461 103 N N -7.684 111.023 118.700 0.013 0.000 2.351 103 N HA -0.112 4.638 4.740 0.016 0.000 0.327 103 N C -0.780 174.731 175.510 0.003 0.000 0.832 103 N CA 0.154 53.210 53.050 0.011 0.000 0.596 103 N CB 0.759 39.251 38.487 0.008 0.000 2.321 103 N HN -0.511 7.873 8.380 0.006 0.000 1.009 104 V N 3.377 123.287 119.914 -0.007 0.000 3.230 104 V HA -0.138 3.963 4.120 -0.033 0.000 0.302 104 V C -2.129 173.955 176.094 -0.017 0.000 1.158 104 V CA -0.484 61.802 62.300 -0.023 0.000 1.279 104 V CB 0.452 32.254 31.823 -0.035 0.000 0.983 104 V HN -0.102 8.084 8.190 -0.007 0.000 0.506 105 P HA 0.210 4.526 4.420 -0.174 0.000 0.283 105 P C -2.283 174.924 177.300 -0.156 0.000 1.271 105 P CA -1.131 61.868 63.100 -0.168 0.000 0.841 105 P CB 1.813 33.382 31.700 -0.218 0.000 1.122 106 Y N -6.926 113.285 120.300 -0.148 0.000 2.527 106 Y HA 0.278 4.652 4.550 -0.356 -0.038 0.247 106 Y C 0.254 176.041 175.900 -0.188 0.000 1.138 106 Y CA -0.829 57.120 58.100 -0.252 0.000 1.228 106 Y CB 0.570 38.871 38.460 -0.265 0.000 1.252 106 Y HN -0.192 7.352 8.280 -1.226 0.000 0.531 107 D N 0.494 120.610 120.400 -0.473 0.000 2.183 107 D HA -0.258 4.274 4.640 -0.179 0.000 0.203 107 D C 0.395 176.659 176.300 -0.059 0.000 0.969 107 D CA 2.631 56.478 54.000 -0.255 0.000 0.842 107 D CB -0.339 40.275 40.800 -0.311 0.000 0.957 107 D HN -0.031 7.927 8.370 -0.686 0.000 0.484 108 E N -3.175 117.022 120.200 -0.005 0.000 2.370 108 E HA 0.050 4.601 4.350 0.336 0.000 0.194 108 E C -1.643 175.150 176.600 0.323 0.000 1.057 108 E CA -1.697 54.822 56.400 0.198 0.000 1.011 108 E CB -2.201 27.562 29.700 0.104 0.000 1.132 108 E HN 0.008 8.290 8.360 -0.095 0.021 0.450 109 V N 0.715 120.740 119.914 0.184 0.000 2.384 109 V HA 0.088 4.534 4.120 0.382 -0.097 0.287 109 V C -1.854 174.470 176.094 0.383 0.000 1.020 109 V CA -0.917 61.476 62.300 0.156 0.000 0.850 109 V CB 2.000 33.520 31.823 -0.505 0.000 0.987 109 V HN -0.791 7.201 8.190 0.023 0.211 0.436 110 F N 7.532 127.777 119.950 0.492 0.000 2.426 110 F HA 0.100 4.785 4.527 0.263 0.000 0.348 110 F C -0.193 175.807 175.800 0.333 0.000 1.124 110 F CA -1.410 56.797 58.000 0.346 0.000 1.008 110 F CB 2.109 41.220 39.000 0.185 0.000 1.139 110 F HN 0.388 9.346 8.300 1.097 0.000 0.452 111 E N 3.917 124.326 120.200 0.348 0.000 1.984 111 E HA -0.271 4.084 4.350 -0.092 -0.061 0.203 111 E C 0.489 177.025 176.600 -0.106 0.000 0.998 111 E CA 3.626 60.054 56.400 0.047 0.000 0.865 111 E CB 0.657 30.374 29.700 0.029 0.000 0.806 111 E HN -0.010 8.667 8.360 0.239 -0.174 0.504 112 L N -3.798 117.357 121.223 -0.114 0.000 3.383 112 L HA 0.346 4.599 4.340 -0.144 0.000 0.169 112 L C 1.105 177.924 176.870 -0.084 0.000 1.161 112 L CA 1.728 56.465 54.840 -0.172 0.000 0.847 112 L CB 0.429 42.217 42.059 -0.452 0.000 1.514 112 L HN 0.147 8.585 8.230 -0.091 -0.263 0.582 113 E N -1.569 118.573 120.200 -0.097 0.000 2.333 113 E HA -0.325 3.996 4.350 -0.047 0.000 0.200 113 E C 0.980 177.602 176.600 0.037 0.000 1.010 113 E CA 2.686 59.065 56.400 -0.036 0.000 0.841 113 E CB -0.677 29.002 29.700 -0.036 0.000 0.757 113 E HN 0.431 8.694 8.360 -0.162 0.000 0.508 114 E N -2.447 117.816 120.200 0.105 0.000 2.474 114 E HA -0.009 4.471 4.350 0.218 0.000 0.195 114 E C 0.499 177.299 176.600 0.334 0.000 1.039 114 E CA 0.647 57.213 56.400 0.276 0.000 0.881 114 E CB -0.702 29.206 29.700 0.346 0.000 0.970 114 E HN 0.137 8.486 8.360 0.076 0.057 0.486 115 I N 0.160 120.826 120.570 0.159 0.000 3.083 115 I HA -0.254 3.976 4.170 0.100 0.000 0.273 115 I C 0.233 176.366 176.117 0.028 0.000 1.297 115 I CA 0.197 61.535 61.300 0.064 0.000 1.452 115 I CB -1.778 36.200 38.000 -0.036 0.000 1.078 115 I HN 0.631 8.692 8.210 0.086 0.201 0.484 116 N N -1.678 117.047 118.700 0.042 0.000 2.430 116 N HA -0.237 4.528 4.740 0.042 0.000 0.186 116 N C 0.659 176.397 175.510 0.380 0.000 1.032 116 N CA 2.191 55.356 53.050 0.191 0.000 0.893 116 N CB -0.238 38.328 38.487 0.133 0.000 0.957 116 N HN -0.206 8.132 8.380 0.051 0.072 0.442 117 S N -0.530 115.252 115.700 0.136 0.000 2.452 117 S HA -0.059 4.622 4.470 0.012 -0.203 0.225 117 S C 1.977 176.506 174.600 -0.118 0.000 1.057 117 S CA 1.720 59.899 58.200 -0.035 0.000 0.949 117 S CB 1.241 64.332 63.200 -0.182 0.000 0.836 117 S HN -0.368 7.916 8.310 0.065 0.065 0.518 118 S N 5.025 120.578 115.700 -0.245 0.000 2.368 118 S HA -0.298 4.005 4.470 -0.279 0.000 0.226 118 S C 1.442 176.058 174.600 0.027 0.000 1.044 118 S CA 3.484 61.579 58.200 -0.175 0.000 1.062 118 S CB -0.065 63.070 63.200 -0.109 0.000 0.931 118 S HN -0.429 7.665 8.310 -0.359 0.000 0.440 119 F N -1.037 118.843 119.950 -0.117 0.000 2.802 119 F HA 0.144 4.622 4.527 -0.082 0.000 0.300 119 F C 0.164 175.919 175.800 -0.076 0.000 1.168 119 F CA -0.859 57.092 58.000 -0.081 0.000 1.433 119 F CB -0.806 38.160 39.000 -0.056 0.000 1.115 119 F HN -0.587 7.992 8.300 0.464 0.000 0.582 120 Q N -0.667 118.848 119.800 -0.476 0.000 2.245 120 Q HA -0.158 3.574 4.340 -1.013 0.000 0.201 120 Q C 0.848 176.634 176.000 -0.357 0.000 0.955 120 Q CA 2.500 57.947 55.803 -0.592 0.000 0.870 120 Q CB 0.378 28.967 28.738 -0.248 0.000 0.945 120 Q HN 0.037 8.031 8.270 -0.075 0.230 0.461 121 T N -5.038 109.374 114.554 -0.237 0.000 2.954 121 T HA 0.078 4.329 4.350 -0.165 0.000 0.252 121 T C 0.038 174.655 174.700 -0.139 0.000 0.983 121 T CA -0.827 61.175 62.100 -0.164 0.000 0.941 121 T CB 2.019 70.817 68.868 -0.117 0.000 1.141 121 T HN -0.808 7.284 8.240 -0.205 0.025 0.500 122 A N 3.719 126.461 122.820 -0.130 0.000 2.526 122 A HA -0.299 3.960 4.320 -0.101 0.000 0.267 122 A C -0.647 176.865 177.584 -0.121 0.000 1.095 122 A CA 0.931 52.903 52.037 -0.109 0.000 0.775 122 A CB -0.148 18.807 19.000 -0.074 0.000 1.036 122 A HN -0.546 7.523 8.150 -0.134 0.000 0.510 123 D N 4.301 124.633 120.400 -0.113 0.000 2.400 123 D HA 0.142 4.722 4.640 -0.099 0.000 0.243 123 D C -0.902 175.333 176.300 -0.108 0.000 1.184 123 D CA 0.635 54.575 54.000 -0.100 0.000 0.853 123 D CB -0.280 40.473 40.800 -0.078 0.000 0.944 123 D HN 0.126 8.353 8.370 -0.106 0.079 0.501 124 V N -6.661 113.169 119.914 -0.141 0.000 3.168 124 V HA 0.552 4.751 4.120 -0.120 -0.151 0.305 124 V C -1.863 174.105 176.094 -0.211 0.000 1.631 124 V CA -2.277 59.915 62.300 -0.180 0.000 1.005 124 V CB 2.651 34.312 31.823 -0.270 0.000 1.059 124 V HN -0.703 7.256 8.190 -0.142 0.146 0.481 125 A N -0.628 122.034 122.820 -0.264 0.000 2.480 125 A HA 0.289 4.492 4.320 -0.196 0.000 0.302 125 A C -2.041 175.482 177.584 -0.102 0.000 1.151 125 A CA 0.786 52.713 52.037 -0.182 0.000 0.907 125 A CB 1.235 20.197 19.000 -0.064 0.000 1.487 125 A HN -0.001 7.986 8.150 -0.271 0.000 0.396 126 F N 1.562 121.503 119.950 -0.014 0.000 2.613 126 F HA 0.015 4.613 4.527 -0.015 -0.080 0.341 126 F C -1.157 174.598 175.800 -0.076 0.000 1.288 126 F CA -3.012 54.975 58.000 -0.021 0.000 1.103 126 F CB -1.237 37.769 39.000 0.010 0.000 1.423 126 F HN 0.188 8.173 8.300 -0.524 0.000 0.651 127 V N 5.868 125.778 119.914 -0.007 0.000 2.287 127 V HA 0.032 4.066 4.120 -0.144 0.000 0.246 127 V C -1.987 174.033 176.094 -0.123 0.000 1.165 127 V CA -0.850 61.302 62.300 -0.247 0.000 1.088 127 V CB -0.098 31.255 31.823 -0.783 0.000 1.242 127 V HN 0.398 8.647 8.190 -0.050 -0.089 0.497 128 I N 7.715 128.291 120.570 0.009 0.000 2.322 128 I HA 0.095 4.321 4.170 0.093 0.000 0.292 128 I C 0.492 176.671 176.117 0.103 0.000 1.060 128 I CA -2.061 59.278 61.300 0.066 0.000 1.309 128 I CB -2.006 36.012 38.000 0.030 0.000 1.415 128 I HN -0.159 8.046 8.210 0.024 0.019 0.492 129 G N 6.756 115.661 108.800 0.174 0.000 2.257 129 G HA2 -0.502 3.696 3.960 0.167 0.000 0.267 129 G HA3 -0.502 3.681 3.960 0.205 -0.100 0.267 129 G C -0.796 174.265 174.900 0.268 0.000 0.984 129 G CA 0.802 46.024 45.100 0.204 0.000 0.626 129 G HN 0.139 8.548 8.290 0.199 0.000 0.540 130 A N -1.493 121.493 122.820 0.276 0.000 2.366 130 A HA -0.138 4.331 4.320 0.249 0.000 0.250 130 A C -1.892 176.014 177.584 0.536 0.000 1.099 130 A CA 0.447 52.678 52.037 0.324 0.000 0.794 130 A CB 0.352 19.466 19.000 0.190 0.000 1.056 130 A HN -0.226 7.950 8.150 0.196 0.092 0.499 131 N N -2.163 116.780 118.700 0.404 0.000 2.844 131 N HA -0.029 4.809 4.740 0.162 0.000 0.347 131 N C -0.167 175.467 175.510 0.206 0.000 0.787 131 N CA 1.963 55.164 53.050 0.251 0.000 1.609 131 N CB 1.127 39.708 38.487 0.157 0.000 0.995 131 N HN -0.025 8.546 8.380 0.319 0.000 1.595 132 D N -1.081 119.427 120.400 0.180 0.000 2.347 132 D HA -0.150 4.565 4.640 0.124 0.000 0.215 132 D C 0.703 177.077 176.300 0.123 0.000 0.976 132 D CA 1.676 55.763 54.000 0.144 0.000 0.884 132 D CB -0.853 40.047 40.800 0.167 0.000 0.915 132 D HN 0.043 8.531 8.370 0.197 0.000 0.526 133 V N -2.410 117.590 119.914 0.144 0.000 2.667 133 V HA -0.180 3.968 4.120 0.047 0.000 0.252 133 V C 0.281 176.450 176.094 0.124 0.000 1.065 133 V CA 2.351 64.713 62.300 0.103 0.000 1.083 133 V CB 0.257 32.141 31.823 0.101 0.000 0.692 133 V HN -0.151 8.108 8.190 0.184 0.042 0.468 134 T N -3.636 111.039 114.554 0.202 0.000 3.022 134 T HA -0.008 4.409 4.350 0.112 0.000 0.250 134 T C -0.114 174.704 174.700 0.198 0.000 1.060 134 T CA -0.250 61.974 62.100 0.206 0.000 1.013 134 T CB -0.124 68.951 68.868 0.346 0.000 0.982 134 T HN -0.841 7.539 8.240 0.275 0.024 0.508 135 N N 3.005 121.809 118.700 0.174 0.000 2.111 135 N HA -0.250 4.661 4.740 0.124 -0.097 0.281 135 N C -0.616 174.939 175.510 0.077 0.000 1.384 135 N CA -0.559 52.560 53.050 0.115 0.000 0.994 135 N CB -0.680 37.855 38.487 0.080 0.000 1.411 135 N HN -0.736 7.593 8.380 0.179 0.158 0.485 136 P HA -0.046 4.390 4.420 0.027 0.000 0.239 136 P C 0.395 177.696 177.300 0.003 0.000 1.184 136 P CA 0.581 63.703 63.100 0.038 0.000 0.760 136 P CB -0.253 31.476 31.700 0.049 0.000 0.884 137 A N 0.209 123.029 122.820 -0.000 0.000 1.927 137 A HA -0.373 3.921 4.320 -0.044 0.000 0.220 137 A C 1.663 179.218 177.584 -0.048 0.000 1.185 137 A CA 2.977 54.995 52.037 -0.032 0.000 0.639 137 A CB -1.162 17.822 19.000 -0.026 0.000 0.820 137 A HN -0.158 7.903 8.150 0.021 0.101 0.451 138 A N -4.948 117.850 122.820 -0.036 0.000 1.972 138 A HA -0.220 4.053 4.320 -0.078 0.000 0.219 138 A C 1.104 178.666 177.584 -0.037 0.000 1.169 138 A CA 2.188 54.198 52.037 -0.045 0.000 0.635 138 A CB -0.378 18.613 19.000 -0.015 0.000 0.810 138 A HN -0.470 7.665 8.150 -0.015 0.006 0.446 139 K N -4.004 116.380 120.400 -0.026 0.000 2.262 139 K HA -0.011 4.297 4.320 -0.019 0.000 0.200 139 K C 1.373 177.959 176.600 -0.024 0.000 1.049 139 K CA 1.956 58.230 56.287 -0.021 0.000 0.979 139 K CB 0.426 32.919 32.500 -0.013 0.000 0.773 139 K HN 0.038 8.096 8.250 -0.019 0.181 0.474 140 T N -2.442 112.090 114.554 -0.036 0.000 3.082 140 T HA 0.070 4.397 4.350 -0.040 0.000 0.235 140 T C -0.410 174.256 174.700 -0.058 0.000 0.991 140 T CA 1.106 63.177 62.100 -0.048 0.000 1.220 140 T CB 1.741 70.571 68.868 -0.063 0.000 0.909 140 T HN 0.185 8.179 8.240 -0.037 0.223 0.424 141 D N 0.468 120.827 120.400 -0.069 0.000 2.977 141 D HA 0.416 5.009 4.640 -0.077 0.000 0.220 141 D C -1.637 174.599 176.300 -0.107 0.000 1.267 141 D CA -1.718 52.233 54.000 -0.081 0.000 0.884 141 D CB 3.530 44.284 40.800 -0.076 0.000 1.667 141 D HN -0.201 8.036 8.370 -0.067 0.093 0.536 142 P HA 0.024 4.296 4.420 -0.248 0.000 0.237 142 P C 0.792 177.965 177.300 -0.212 0.000 1.178 142 P CA 0.844 63.800 63.100 -0.241 0.000 0.766 142 P CB 0.638 32.140 31.700 -0.330 0.000 0.876 143 S N -0.876 114.744 115.700 -0.132 0.000 2.440 143 S HA -0.304 4.114 4.470 -0.086 0.000 0.240 143 S C 0.429 174.985 174.600 -0.072 0.000 1.014 143 S CA 2.181 60.327 58.200 -0.090 0.000 0.980 143 S CB -0.622 62.538 63.200 -0.067 0.000 0.775 143 S HN 0.231 8.402 8.310 -0.115 0.070 0.499 144 S N 2.536 118.191 115.700 -0.076 0.000 2.525 144 S HA -0.120 4.334 4.470 -0.027 0.000 0.282 144 S C -0.198 174.393 174.600 -0.016 0.000 1.324 144 S CA 0.395 58.571 58.200 -0.040 0.000 1.025 144 S CB -0.021 63.155 63.200 -0.040 0.000 0.820 144 S HN -0.785 7.423 8.310 -0.093 0.046 0.514 145 P HA -0.054 4.386 4.420 0.033 0.000 0.226 145 P C -1.273 176.069 177.300 0.070 0.000 1.153 145 P CA 1.469 64.591 63.100 0.036 0.000 0.777 145 P CB 0.115 31.833 31.700 0.031 0.000 0.794 146 I N -6.417 114.197 120.570 0.072 0.000 4.030 146 I HA 0.192 4.456 4.170 0.157 0.000 0.248 146 I C -1.822 174.399 176.117 0.172 0.000 1.284 146 I CA -2.877 58.502 61.300 0.130 0.000 1.223 146 I CB 1.961 40.022 38.000 0.102 0.000 1.446 146 I HN -0.893 7.286 8.210 0.041 0.056 0.519 147 Y N 0.654 120.957 120.300 0.005 0.000 2.426 147 Y HA 0.140 4.691 4.550 0.003 0.000 0.249 147 Y C 0.225 176.126 175.900 0.001 0.000 1.103 147 Y CA -0.027 58.074 58.100 0.002 0.000 1.256 147 Y CB 1.913 40.372 38.460 -0.001 0.000 1.208 147 Y HN 0.216 8.641 8.280 0.242 0.000 0.519 148 G N -2.248 106.614 108.800 0.103 0.000 2.692 148 G HA2 -0.372 3.602 3.960 0.022 0.000 0.248 148 G HA3 -0.372 3.615 3.960 0.044 0.000 0.248 148 G C -1.212 173.733 174.900 0.075 0.000 1.340 148 G CA 0.320 45.452 45.100 0.054 0.000 0.896 148 G HN -0.549 7.810 8.290 0.115 0.000 0.570 149 M N -5.684 113.950 119.600 0.055 0.000 2.981 149 M HA 0.282 4.807 4.480 0.074 0.000 0.510 149 M C -2.807 173.520 176.300 0.045 0.000 2.068 149 M CA -0.817 54.523 55.300 0.067 0.000 0.763 149 M CB -0.585 32.067 32.600 0.087 0.000 3.696 149 M HN 0.051 8.365 8.290 0.040 0.000 0.490 150 P HA 0.280 4.685 4.420 -0.024 0.000 0.231 150 P C -0.657 176.644 177.300 0.002 0.000 1.811 150 P CA -0.513 62.586 63.100 -0.001 0.000 1.051 150 P CB -2.426 29.266 31.700 -0.014 0.000 1.951 151 I N -2.892 117.685 120.570 0.010 0.000 2.138 151 I HA -0.291 3.938 4.170 0.098 0.000 0.101 151 I C -0.727 175.360 176.117 -0.049 0.000 1.420 151 I CA 1.188 62.504 61.300 0.026 0.000 1.057 151 I CB 0.596 38.612 38.000 0.026 0.000 1.458 151 I HN -0.296 7.865 8.210 0.006 0.052 0.803 152 L N -6.220 114.963 121.223 -0.068 0.000 2.913 152 L HA 0.321 4.551 4.340 -0.182 0.000 0.283 152 L C -1.947 174.817 176.870 -0.177 0.000 1.336 152 L CA -1.732 53.028 54.840 -0.133 0.000 0.815 152 L CB -0.453 41.560 42.059 -0.078 0.000 1.188 152 L HN -0.334 7.880 8.230 -0.027 0.000 0.551 153 D N -3.371 116.869 120.400 -0.267 0.000 7.626 153 D HA -0.286 4.298 4.640 -0.093 0.000 0.190 153 D C -0.393 175.883 176.300 -0.040 0.000 1.312 153 D CA 0.758 54.627 54.000 -0.217 0.000 0.932 153 D CB -1.129 39.326 40.800 -0.576 0.000 1.624 153 D HN -0.126 8.079 8.370 -0.276 0.000 0.917 154 V N -0.082 119.834 119.914 0.003 0.000 2.331 154 V HA -0.298 3.823 4.120 0.050 0.028 0.242 154 V C 0.823 176.960 176.094 0.072 0.000 1.034 154 V CA 2.183 64.499 62.300 0.026 0.000 1.027 154 V CB 0.630 32.413 31.823 -0.066 0.000 0.667 154 V HN -0.210 7.980 8.190 -0.005 -0.003 0.457 155 E N -3.259 116.997 120.200 0.093 0.000 2.273 155 E HA -0.348 4.067 4.350 0.109 0.000 0.198 155 E C 0.835 177.495 176.600 0.101 0.000 1.002 155 E CA 2.575 59.039 56.400 0.107 0.000 0.828 155 E CB -0.952 28.818 29.700 0.116 0.000 0.747 155 E HN 0.261 8.682 8.360 0.102 0.000 0.491 156 K N -1.247 119.239 120.400 0.143 0.000 3.277 156 K HA -0.067 4.329 4.320 0.127 0.000 0.280 156 K C -1.576 175.136 176.600 0.187 0.000 1.182 156 K CA -0.612 55.792 56.287 0.195 0.000 1.219 156 K CB -2.185 30.517 32.500 0.336 0.000 1.373 156 K HN 0.024 8.214 8.250 0.140 0.144 0.392 157 A N -2.628 120.244 122.820 0.087 0.000 2.567 157 A HA 0.347 4.644 4.320 -0.038 0.000 0.289 157 A C -0.858 176.715 177.584 -0.019 0.000 1.177 157 A CA -1.534 50.511 52.037 0.013 0.000 0.694 157 A CB 2.608 21.627 19.000 0.032 0.000 1.292 157 A HN -0.551 7.537 8.150 0.073 0.106 0.425 158 G N -1.533 107.236 108.800 -0.052 0.000 2.879 158 G HA2 -0.224 3.911 3.960 -0.062 0.000 0.200 158 G HA3 -0.224 3.711 3.960 -0.042 0.000 0.200 158 G C -0.004 174.877 174.900 -0.032 0.000 1.437 158 G CA 1.882 46.953 45.100 -0.049 0.000 0.835 158 G HN 0.112 8.332 8.290 -0.073 0.026 0.640 159 T N 2.690 117.217 114.554 -0.045 0.000 2.897 159 T HA 0.590 5.048 4.350 0.005 -0.104 0.278 159 T C -1.201 173.486 174.700 -0.021 0.000 0.981 159 T CA 0.309 62.398 62.100 -0.017 0.000 0.973 159 T CB 2.013 70.873 68.868 -0.014 0.000 1.092 159 T HN -0.566 7.634 8.240 -0.067 0.000 0.543 160 V N -0.530 119.398 119.914 0.023 0.000 2.733 160 V HA 0.321 4.560 4.120 -0.039 -0.142 0.306 160 V C -1.235 174.898 176.094 0.066 0.000 1.084 160 V CA -1.448 60.860 62.300 0.013 0.000 0.905 160 V CB 3.314 35.159 31.823 0.037 0.000 1.010 160 V HN 0.035 8.306 8.190 0.054 -0.049 0.424 161 L N 6.484 127.741 121.223 0.058 0.000 2.360 161 L HA 0.300 4.747 4.340 0.156 -0.014 0.265 161 L C -1.695 175.250 176.870 0.125 0.000 1.066 161 L CA -0.849 54.068 54.840 0.128 0.000 0.929 161 L CB -1.058 41.101 42.059 0.167 0.000 1.306 161 L HN 0.656 8.863 8.230 0.032 0.042 0.434 162 F N 5.187 125.213 119.950 0.126 0.000 2.566 162 F HA 0.257 5.168 4.527 0.116 -0.314 0.349 162 F C -0.029 175.825 175.800 0.089 0.000 1.245 162 F CA -1.453 56.615 58.000 0.114 0.000 1.169 162 F CB -0.148 38.926 39.000 0.124 0.000 1.470 162 F HN 1.171 9.598 8.300 0.349 0.082 0.634 163 I N 6.986 127.718 120.570 0.270 0.000 2.352 163 I HA -0.046 4.386 4.170 0.136 -0.180 0.290 163 I C -1.773 174.427 176.117 0.137 0.000 1.036 163 I CA -0.080 61.315 61.300 0.158 0.000 1.336 163 I CB 0.190 38.250 38.000 0.099 0.000 1.407 163 I HN -0.312 8.033 8.210 0.225 0.000 0.497 164 K N 4.468 124.920 120.400 0.086 0.000 2.772 164 K HA 0.349 4.724 4.320 0.038 -0.032 0.292 164 K C -0.756 175.863 176.600 0.031 0.000 1.049 164 K CA -1.006 55.314 56.287 0.055 0.000 0.846 164 K CB 1.123 33.671 32.500 0.081 0.000 1.514 164 K HN -0.727 7.567 8.250 0.073 0.000 0.373 165 R N -0.149 120.364 120.500 0.022 0.000 2.147 165 R HA -0.387 3.986 4.340 0.056 0.000 0.225 165 R C 1.523 177.877 176.300 0.090 0.000 1.120 165 R CA 4.281 60.413 56.100 0.053 0.000 0.891 165 R CB -0.021 30.299 30.300 0.032 0.000 0.822 165 R HN 0.437 8.717 8.270 0.015 0.000 0.433 166 S N -5.111 110.610 115.700 0.034 0.000 6.372 166 S HA -0.042 4.422 4.470 -0.010 0.000 0.097 166 S C 0.515 175.088 174.600 -0.045 0.000 1.206 166 S CA 0.725 58.925 58.200 -0.001 0.000 1.380 166 S CB -0.015 63.196 63.200 0.018 0.000 1.932 166 S HN -0.420 7.899 8.310 0.015 0.000 0.560 167 M N 4.501 124.081 119.600 -0.032 0.000 3.763 167 M HA -0.045 4.403 4.480 -0.055 0.000 0.183 167 M C -1.447 174.827 176.300 -0.042 0.000 1.544 167 M CA -0.531 54.744 55.300 -0.042 0.000 1.722 167 M CB -1.635 30.947 32.600 -0.030 0.000 1.155 167 M HN -0.013 8.267 8.290 -0.015 0.000 0.528 168 A N 1.064 123.854 122.820 -0.051 0.000 2.473 168 A HA 0.019 4.319 4.320 -0.032 0.000 0.282 168 A C -0.244 177.317 177.584 -0.037 0.000 1.163 168 A CA 0.258 52.271 52.037 -0.040 0.000 0.827 168 A CB -0.102 18.872 19.000 -0.042 0.000 1.098 168 A HN 0.327 8.354 8.150 -0.068 0.082 0.515 169 S N 5.583 121.260 115.700 -0.038 0.000 2.326 169 S HA -0.205 4.248 4.470 -0.029 0.000 0.211 169 S C 0.515 175.111 174.600 -0.007 0.000 1.031 169 S CA 1.091 59.270 58.200 -0.034 0.000 0.985 169 S CB 0.702 63.868 63.200 -0.057 0.000 0.961 169 S HN -0.111 8.171 8.310 -0.048 0.000 0.436 170 G N 1.318 110.111 108.800 -0.013 0.000 2.698 170 G HA2 -0.378 3.654 3.960 0.119 0.000 0.233 170 G HA3 -0.378 3.626 3.960 0.074 0.000 0.233 170 G C -0.250 174.691 174.900 0.068 0.000 1.352 170 G CA 0.452 45.593 45.100 0.069 0.000 0.879 170 G HN -0.784 7.472 8.290 -0.057 0.000 0.567 171 Y N 2.313 122.649 120.300 0.061 0.000 2.571 171 Y HA -0.201 4.369 4.550 0.034 0.000 0.294 171 Y C -0.233 175.681 175.900 0.023 0.000 1.141 171 Y CA 2.061 60.184 58.100 0.039 0.000 1.308 171 Y CB 0.482 38.966 38.460 0.039 0.000 1.002 171 Y HN -0.207 8.560 8.280 0.342 -0.282 0.551 172 A N -3.170 119.752 122.820 0.169 0.000 1.594 172 A HA 0.112 4.488 4.320 0.093 0.000 0.200 172 A C -0.568 177.051 177.584 0.059 0.000 1.674 172 A CA 0.425 52.527 52.037 0.108 0.000 1.272 172 A CB 0.749 19.821 19.000 0.121 0.000 1.157 172 A HN -0.634 7.554 8.150 0.160 0.059 0.486 173 G N -1.477 107.358 108.800 0.058 0.000 2.203 173 G HA2 -0.222 3.842 3.960 0.005 0.000 0.263 173 G HA3 -0.222 3.742 3.960 0.006 0.000 0.263 173 G C -0.206 174.704 174.900 0.018 0.000 1.012 173 G CA 0.928 46.040 45.100 0.019 0.000 0.749 173 G HN 0.073 8.414 8.290 0.084 0.000 0.512 174 V N -4.276 115.658 119.914 0.034 0.000 5.049 174 V HA -0.005 4.129 4.120 0.023 0.000 0.272 174 V C -0.023 176.093 176.094 0.036 0.000 1.299 174 V CA -1.289 61.029 62.300 0.030 0.000 0.684 174 V CB 0.301 32.142 31.823 0.031 0.000 1.251 174 V HN -0.734 7.439 8.190 0.047 0.045 0.380 175 E N 0.071 120.284 120.200 0.022 0.000 2.966 175 E HA -0.216 4.137 4.350 0.005 0.000 0.254 175 E C -0.667 175.953 176.600 0.033 0.000 0.923 175 E CA 1.077 57.484 56.400 0.011 0.000 0.960 175 E CB -0.453 29.237 29.700 -0.016 0.000 0.901 175 E HN 0.093 8.462 8.360 0.014 0.000 0.525 176 N N 0.882 119.613 118.700 0.052 0.000 2.471 176 N HA 0.014 4.798 4.740 0.074 0.000 0.253 176 N C -0.175 175.325 175.510 -0.017 0.000 1.451 176 N CA 0.704 53.811 53.050 0.096 0.000 1.068 176 N CB 0.170 38.735 38.487 0.131 0.000 1.396 176 N HN 0.062 8.470 8.380 0.046 0.000 0.524 177 E N -0.087 119.915 120.200 -0.330 0.000 2.463 177 E HA -0.381 2.683 4.350 -2.143 0.000 0.201 177 E C 1.326 177.357 176.600 -0.949 0.000 1.045 177 E CA 1.921 57.677 56.400 -1.073 0.000 0.872 177 E CB -1.299 28.026 29.700 -0.625 0.000 0.797 177 E HN 0.340 8.584 8.360 -0.193 0.000 0.538 178 L N -1.441 119.578 121.223 -0.340 0.000 2.230 178 L HA -0.341 4.116 4.340 -0.036 -0.139 0.217 178 L C 0.591 177.472 176.870 0.018 0.000 1.090 178 L CA 2.049 56.859 54.840 -0.050 0.000 0.771 178 L CB -0.509 41.652 42.059 0.170 0.000 0.892 178 L HN -0.567 7.454 8.230 -0.187 0.098 0.438 179 F N -7.563 112.533 119.950 0.244 0.000 2.778 179 F HA 0.311 5.175 4.527 0.204 -0.214 0.295 179 F C -0.630 175.340 175.800 0.282 0.000 1.262 179 F CA -2.100 56.043 58.000 0.239 0.000 1.429 179 F CB -1.462 37.663 39.000 0.207 0.000 1.072 179 F HN -0.569 7.389 8.300 -0.493 0.046 0.514 180 F N -0.909 118.975 119.950 -0.110 0.000 2.856 180 F HA 0.208 4.775 4.527 0.067 0.000 0.338 180 F C -0.388 175.400 175.800 -0.020 0.000 1.100 180 F CA -0.396 57.574 58.000 -0.050 0.000 1.150 180 F CB 2.333 41.217 39.000 -0.193 0.000 1.101 180 F HN -0.405 7.837 8.300 0.095 0.114 0.548 181 R N -0.520 120.042 120.500 0.103 0.000 2.705 181 R HA 0.340 4.713 4.340 0.056 0.000 0.246 181 R C -1.031 175.286 176.300 0.029 0.000 1.142 181 R CA -2.122 54.012 56.100 0.058 0.000 1.114 181 R CB 0.704 31.037 30.300 0.054 0.000 1.256 181 R HN -0.657 7.679 8.270 0.110 0.000 0.536 182 N N 1.256 119.965 118.700 0.014 0.000 1.863 182 N HA -0.403 4.329 4.740 -0.014 0.000 0.317 182 N C -0.289 175.223 175.510 0.004 0.000 1.256 182 N CA 1.303 54.352 53.050 -0.002 0.000 0.793 182 N CB -0.043 38.439 38.487 -0.007 0.000 1.017 182 N HN 0.235 8.625 8.380 0.016 0.000 0.498 183 N N 0.339 119.034 118.700 -0.009 0.000 3.062 183 N HA -0.500 4.408 4.740 0.007 -0.164 0.290 183 N C -0.641 174.886 175.510 0.029 0.000 1.102 183 N CA 1.759 54.810 53.050 0.002 0.000 0.888 183 N CB -0.625 37.847 38.487 -0.025 0.000 0.889 183 N HN 0.376 8.742 8.380 -0.023 0.000 0.623 184 T N 0.889 115.480 114.554 0.060 0.000 2.815 184 T HA 0.235 4.623 4.350 0.063 -0.001 0.289 184 T C -2.085 172.715 174.700 0.168 0.000 1.000 184 T CA 0.184 62.337 62.100 0.088 0.000 0.958 184 T CB 1.563 70.477 68.868 0.076 0.000 0.944 184 T HN 0.241 8.493 8.240 0.063 0.026 0.442 185 M N 4.600 124.318 119.600 0.196 0.000 2.275 185 M HA 0.257 4.998 4.480 0.435 0.000 0.550 185 M C -2.314 174.221 176.300 0.392 0.000 2.192 185 M CA 0.049 55.545 55.300 0.327 0.000 0.620 185 M CB 3.582 36.342 32.600 0.266 0.000 4.142 185 M HN 0.871 9.211 8.290 0.146 0.037 0.469 186 M N 0.552 120.369 119.600 0.361 0.000 2.465 186 M HA 0.218 5.110 4.480 0.465 -0.132 0.316 186 M C -2.350 174.086 176.300 0.225 0.000 1.121 186 M CA -0.716 54.794 55.300 0.349 0.000 0.934 186 M CB 2.837 35.569 32.600 0.219 0.000 1.692 186 M HN 0.032 8.500 8.290 0.296 0.000 0.444 187 L N 3.813 125.163 121.223 0.211 0.000 2.384 187 L HA 0.424 4.902 4.340 0.230 0.000 0.261 187 L C -0.679 176.287 176.870 0.160 0.000 1.024 187 L CA -1.886 53.070 54.840 0.193 0.000 0.899 187 L CB -0.896 41.251 42.059 0.147 0.000 1.243 187 L HN 0.619 8.846 8.230 0.225 0.138 0.449 188 F N 4.266 124.239 119.950 0.039 0.000 2.594 188 F HA -0.141 4.783 4.527 0.015 -0.387 0.384 188 F C -0.058 175.762 175.800 0.034 0.000 1.060 188 F CA 0.697 58.710 58.000 0.022 0.000 1.278 188 F CB 0.243 39.244 39.000 0.002 0.000 0.977 188 F HN 0.024 8.572 8.300 0.414 0.000 0.576 189 G N 3.358 111.838 108.800 -0.534 0.000 2.334 189 G HA2 -0.239 3.304 3.960 -0.695 0.000 0.315 189 G HA3 -0.239 3.347 3.960 -0.623 0.000 0.315 189 G C -3.318 171.452 174.900 -0.217 0.000 1.284 189 G CA -0.872 43.878 45.100 -0.583 0.000 0.985 189 G HN -0.396 7.684 8.290 -0.181 0.101 0.504 190 D N -0.563 119.742 120.400 -0.159 0.000 2.163 190 D HA 0.188 4.805 4.640 -0.038 0.000 0.248 190 D C 0.525 176.804 176.300 -0.035 0.000 1.035 190 D CA -0.606 53.356 54.000 -0.063 0.000 0.872 190 D CB 1.628 42.401 40.800 -0.044 0.000 1.183 190 D HN 0.047 8.301 8.370 -0.194 0.000 0.445 191 A N 3.115 125.936 122.820 0.001 0.000 2.093 191 A HA -0.477 3.855 4.320 0.020 0.000 0.222 191 A C 0.911 178.496 177.584 0.003 0.000 1.162 191 A CA 3.662 55.706 52.037 0.013 0.000 0.655 191 A CB -0.109 18.907 19.000 0.026 0.000 0.805 191 A HN 0.630 8.789 8.150 0.014 0.000 0.461 192 K N -4.414 115.989 120.400 0.005 0.000 2.211 192 K HA -0.277 4.065 4.320 0.036 0.000 0.203 192 K C 1.794 178.398 176.600 0.006 0.000 1.050 192 K CA 2.317 58.617 56.287 0.022 0.000 0.945 192 K CB -0.767 31.755 32.500 0.035 0.000 0.732 192 K HN -0.129 8.074 8.250 0.003 0.049 0.451 193 K N -0.989 119.398 120.400 -0.022 0.000 2.365 193 K HA -0.109 4.198 4.320 -0.022 0.000 0.197 193 K C 1.395 177.983 176.600 -0.020 0.000 1.042 193 K CA 1.874 58.139 56.287 -0.036 0.000 0.987 193 K CB -0.087 32.356 32.500 -0.096 0.000 0.779 193 K HN 0.316 8.373 8.250 -0.034 0.171 0.484 194 M N 1.354 120.949 119.600 -0.009 0.000 2.334 194 M HA -0.282 4.212 4.480 0.024 0.000 0.265 194 M C 1.043 177.359 176.300 0.027 0.000 1.085 194 M CA 3.949 59.259 55.300 0.018 0.000 1.093 194 M CB -0.490 32.126 32.600 0.027 0.000 1.237 194 M HN -0.479 7.628 8.290 -0.012 0.177 0.457 195 T N -1.089 113.476 114.554 0.018 0.000 3.007 195 T HA -0.267 4.098 4.350 0.026 0.000 0.270 195 T C 1.656 176.368 174.700 0.019 0.000 1.107 195 T CA 3.451 65.560 62.100 0.016 0.000 1.118 195 T CB -0.903 67.962 68.868 -0.004 0.000 0.889 195 T HN -0.307 7.939 8.240 0.010 0.000 0.506 196 E N 1.234 121.446 120.200 0.019 0.000 2.072 196 E HA -0.222 4.140 4.350 0.020 0.000 0.191 196 E C 1.820 178.429 176.600 0.014 0.000 0.985 196 E CA 2.357 58.767 56.400 0.018 0.000 0.801 196 E CB -1.293 28.416 29.700 0.017 0.000 0.750 196 E HN -0.673 7.663 8.360 0.018 0.035 0.452 197 Q N -2.714 117.095 119.800 0.016 0.000 2.123 197 Q HA -0.190 4.262 4.340 0.016 -0.103 0.196 197 Q C 1.477 177.490 176.000 0.021 0.000 0.958 197 Q CA 1.978 57.793 55.803 0.019 0.000 0.841 197 Q CB 1.135 29.887 28.738 0.024 0.000 0.915 197 Q HN -0.707 7.572 8.270 0.016 0.000 0.455 198 I N -1.353 119.235 120.570 0.029 0.000 2.201 198 I HA -0.269 3.913 4.170 0.020 0.000 0.233 198 I C 1.473 177.598 176.117 0.013 0.000 1.067 198 I CA 3.837 65.154 61.300 0.028 0.000 1.354 198 I CB -0.045 37.990 38.000 0.060 0.000 1.108 198 I HN -0.746 7.484 8.210 0.033 0.000 0.411 199 V N -2.396 117.529 119.914 0.019 0.000 3.306 199 V HA -0.221 3.901 4.120 0.004 0.000 0.264 199 V C 1.193 177.289 176.094 0.004 0.000 1.149 199 V CA 1.959 64.264 62.300 0.009 0.000 1.143 199 V CB -0.015 31.814 31.823 0.011 0.000 0.767 199 V HN -0.486 7.720 8.190 0.027 0.000 0.476 200 Q N -1.491 118.313 119.800 0.007 0.000 2.280 200 Q HA 0.008 4.350 4.340 0.003 0.000 0.228 200 Q C -0.913 175.089 176.000 0.003 0.000 0.857 200 Q CA 0.197 56.004 55.803 0.005 0.000 0.939 200 Q CB 1.877 30.622 28.738 0.011 0.000 1.114 200 Q HN -0.354 7.886 8.270 0.011 0.037 0.514 201 A N -3.063 119.759 122.820 0.003 0.000 3.192 201 A HA 0.093 4.412 4.320 -0.001 0.000 0.225 201 A C -1.266 176.320 177.584 0.003 0.000 1.208 201 A CA 0.080 52.119 52.037 0.002 0.000 1.176 201 A CB -0.093 18.910 19.000 0.005 0.000 1.318 201 A HN -0.778 7.297 8.150 0.005 0.079 0.804 202 M N -0.146 119.452 119.600 -0.004 0.000 2.443 202 M HA -0.352 4.261 4.480 0.005 -0.130 0.267 202 M C -0.799 175.502 176.300 0.002 0.000 1.069 202 M CA 3.314 58.611 55.300 -0.006 0.000 1.085 202 M CB 0.411 32.992 32.600 -0.033 0.000 1.243 202 M HN -0.158 8.126 8.290 -0.010 0.000 0.464 203 N N 0.000 118.697 118.700 -0.005 0.000 1.763 203 N HA 0.000 4.746 4.740 0.010 0.000 0.220 203 N CA 0.000 53.051 53.050 0.002 0.000 0.885 203 N CB 0.000 38.487 38.487 -0.000 0.000 1.341 203 N HN 0.000 8.371 8.380 -0.015 0.000 0.667