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 1o3t_1_B DATA FIRST_RESID 9 DATA SEQUENCE PTLEWFLSHC HIHKYPSKST LIHQGEKAET LYYIVKGSVA VLIKDEEGKE DATA SEQUENCE MILSYLNQGD FIGELGLFEE GQERSAWVRA KTACEVAEIS YKKFRQLIQV DATA SEQUENCE NPDILMRLSA QMARRLQVTS EKVGNLAFLD VTGRIAQTLL NLAKQPDAMT DATA SEQUENCE HPDGMQIKIT RQEIGQIVGC SRETVGRILK MLEDQNLISA HGKTIVV 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 9 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 9 P C 0.000 177.368 177.300 0.113 0.000 1.155 9 P CA 0.000 63.152 63.100 0.086 0.000 0.800 9 P CB 0.000 31.742 31.700 0.069 0.000 0.726 10 T N -0.321 114.298 114.554 0.108 0.000 2.809 10 T HA -0.001 4.332 4.350 -0.028 0.000 0.260 10 T C 1.799 176.665 174.700 0.276 0.000 1.039 10 T CA 1.086 63.258 62.100 0.120 0.000 1.141 10 T CB -0.641 68.250 68.868 0.039 0.000 0.869 10 T HN 0.244 8.484 8.240 -0.000 0.000 0.437 11 L N 0.839 122.204 121.223 0.236 0.000 2.651 11 L HA -0.025 4.298 4.340 -0.028 0.000 0.236 11 L C 1.940 178.964 176.870 0.256 0.000 1.173 11 L CA 1.616 56.616 54.840 0.268 0.000 0.843 11 L CB -0.893 41.264 42.059 0.163 0.000 0.964 11 L HN 0.316 8.546 8.230 -0.000 0.000 0.454 12 E N -0.155 120.194 120.200 0.247 0.000 2.170 12 E HA -0.172 4.162 4.350 -0.028 0.000 0.191 12 E C 1.894 178.622 176.600 0.213 0.000 0.981 12 E CA 1.011 57.522 56.400 0.184 0.000 0.830 12 E CB -0.368 29.421 29.700 0.147 0.000 0.775 12 E HN 0.751 9.111 8.360 -0.000 0.000 0.470 13 W N 0.773 122.128 121.300 0.093 0.000 2.374 13 W HA -0.181 4.465 4.660 -0.023 0.000 0.288 13 W C 1.614 178.220 176.519 0.145 0.000 1.218 13 W CA 0.504 57.910 57.345 0.102 0.000 1.245 13 W CB -1.310 28.195 29.460 0.076 0.000 1.126 13 W HN -0.030 8.150 8.180 -0.000 0.000 0.545 14 F N 1.794 121.312 119.950 -0.720 0.000 2.053 14 F HA -0.082 4.429 4.527 -0.026 0.000 0.292 14 F C 2.595 178.163 175.800 -0.386 0.000 1.125 14 F CA 2.514 60.041 58.000 -0.788 0.000 1.193 14 F CB -0.985 37.837 39.000 -0.297 0.000 0.996 14 F HN -0.231 8.069 8.300 -0.000 0.000 0.470 15 L N -0.018 121.094 121.223 -0.184 0.000 2.082 15 L HA -0.365 3.959 4.340 -0.028 0.000 0.223 15 L C 1.873 178.583 176.870 -0.267 0.000 1.086 15 L CA 1.953 56.663 54.840 -0.217 0.000 0.793 15 L CB -1.231 40.802 42.059 -0.042 0.000 0.896 15 L HN 0.126 8.356 8.230 -0.000 0.000 0.441 16 S N -2.323 113.254 115.700 -0.205 0.000 2.679 16 S HA 0.037 4.490 4.470 -0.028 0.000 0.233 16 S C 1.119 175.567 174.600 -0.252 0.000 0.951 16 S CA -0.180 57.916 58.200 -0.173 0.000 0.973 16 S CB -0.222 62.930 63.200 -0.081 0.000 0.778 16 S HN 0.376 8.686 8.310 -0.000 0.000 0.477 17 H N -0.733 118.033 119.070 -0.507 0.000 3.241 17 H HA 0.330 4.869 4.556 -0.027 0.000 0.260 17 H C 0.261 175.210 175.328 -0.632 0.000 1.084 17 H CA 0.055 55.765 56.048 -0.564 0.000 1.203 17 H CB 0.578 29.851 29.762 -0.815 0.000 1.524 17 H HN 0.379 8.659 8.280 -0.000 0.000 0.521 18 C N 0.321 119.250 119.300 -0.618 0.000 2.711 18 C HA 0.487 4.931 4.460 -0.028 0.000 0.410 18 C C 0.400 175.074 174.990 -0.527 0.000 1.553 18 C CA -0.778 57.822 59.018 -0.696 0.000 1.759 18 C CB 1.355 28.644 27.740 -0.751 0.000 2.077 18 C HN 0.412 8.642 8.230 -0.000 0.000 0.483 19 H N -0.234 118.683 119.070 -0.255 0.000 2.713 19 H HA 0.637 5.180 4.556 -0.022 0.000 0.340 19 H C -0.770 174.455 175.328 -0.170 0.000 1.271 19 H CA -0.762 55.181 56.048 -0.175 0.000 1.306 19 H CB 0.783 30.479 29.762 -0.111 0.000 1.839 19 H HN 0.276 8.556 8.280 -0.000 0.000 0.627 20 I N 2.318 122.961 120.570 0.121 0.000 2.439 20 I HA 0.177 4.330 4.170 -0.028 0.000 0.285 20 I C -0.152 176.143 176.117 0.297 0.000 1.021 20 I CA -0.435 60.931 61.300 0.111 0.000 1.091 20 I CB 0.729 38.784 38.000 0.092 0.000 1.242 20 I HN 0.406 8.616 8.210 -0.000 0.000 0.439 21 H N 4.972 124.132 119.070 0.149 0.000 2.630 21 H HA 0.637 5.179 4.556 -0.022 0.000 0.343 21 H C -0.234 175.223 175.328 0.214 0.000 1.232 21 H CA -0.758 55.401 56.048 0.185 0.000 1.294 21 H CB 1.471 31.446 29.762 0.355 0.000 1.746 21 H HN 0.196 8.476 8.280 -0.000 0.000 0.593 22 K N 1.566 122.124 120.400 0.263 0.000 2.426 22 K HA 0.347 4.650 4.320 -0.028 0.000 0.254 22 K C -1.335 175.326 176.600 0.103 0.000 0.936 22 K CA -0.438 55.963 56.287 0.191 0.000 0.801 22 K CB 1.489 34.027 32.500 0.064 0.000 1.139 22 K HN 0.571 8.821 8.250 -0.000 0.000 0.424 23 Y N 2.898 123.244 120.300 0.076 0.000 2.386 23 Y HA 0.307 4.850 4.550 -0.012 0.000 0.334 23 Y C -1.887 174.040 175.900 0.045 0.000 1.002 23 Y CA -1.718 56.421 58.100 0.064 0.000 1.068 23 Y CB 2.392 40.899 38.460 0.078 0.000 1.203 23 Y HN 0.440 8.720 8.280 -0.000 0.000 0.443 24 P HA 0.080 4.500 4.420 -0.000 0.000 0.293 24 P C -0.259 177.099 177.300 0.096 0.000 1.304 24 P CA -0.630 62.528 63.100 0.097 0.000 0.767 24 P CB 1.145 32.878 31.700 0.056 0.000 1.247 25 S N 0.317 116.056 115.700 0.064 0.000 3.355 25 S HA 0.094 4.547 4.470 -0.028 0.000 0.293 25 S C 0.649 175.279 174.600 0.051 0.000 1.197 25 S CA 0.470 58.702 58.200 0.053 0.000 1.117 25 S CB -1.632 61.590 63.200 0.037 0.000 1.587 25 S HN 0.618 8.928 8.310 -0.000 0.000 0.536 26 K N 1.139 121.577 120.400 0.062 0.000 3.349 26 K HA -0.122 4.181 4.320 -0.028 0.000 0.210 26 K C 0.006 176.652 176.600 0.078 0.000 0.966 26 K CA 1.014 57.334 56.287 0.056 0.000 0.974 26 K CB -1.761 30.765 32.500 0.043 0.000 1.705 26 K HN 0.508 8.758 8.250 -0.000 0.000 0.723 27 S N 0.672 116.442 115.700 0.118 0.000 2.558 27 S HA 0.227 4.680 4.470 -0.028 0.000 0.288 27 S C 0.203 174.894 174.600 0.152 0.000 1.318 27 S CA 0.311 58.613 58.200 0.171 0.000 1.056 27 S CB 0.915 64.274 63.200 0.266 0.000 0.853 27 S HN 0.209 8.519 8.310 -0.000 0.000 0.505 28 T N 4.714 119.342 114.554 0.123 0.000 2.992 28 T HA 0.174 4.508 4.350 -0.028 0.000 0.299 28 T C 1.287 175.952 174.700 -0.057 0.000 1.027 28 T CA -0.468 61.611 62.100 -0.036 0.000 1.001 28 T CB -0.206 68.534 68.868 -0.214 0.000 1.005 28 T HN 0.430 8.670 8.240 -0.000 0.000 0.599 29 L N 3.173 124.333 121.223 -0.105 0.000 2.010 29 L HA -0.071 4.252 4.340 -0.028 0.000 0.219 29 L C 1.067 177.772 176.870 -0.274 0.000 1.077 29 L CA 1.794 56.474 54.840 -0.268 0.000 0.773 29 L CB -0.611 41.169 42.059 -0.464 0.000 0.892 29 L HN 0.714 8.944 8.230 -0.000 0.000 0.436 30 I N -5.197 115.164 120.570 -0.347 0.000 2.802 30 I HA 0.456 4.609 4.170 -0.028 0.000 0.298 30 I C -0.804 175.098 176.117 -0.359 0.000 1.176 30 I CA -0.903 60.210 61.300 -0.312 0.000 1.025 30 I CB 2.151 39.903 38.000 -0.413 0.000 1.243 30 I HN -0.122 8.088 8.210 -0.000 0.000 0.424 31 H N 2.279 121.228 119.070 -0.201 0.000 2.499 31 H HA 0.382 4.920 4.556 -0.030 0.000 0.340 31 H C -0.589 174.354 175.328 -0.641 0.000 1.148 31 H CA -0.422 55.380 56.048 -0.409 0.000 1.215 31 H CB 1.676 31.353 29.762 -0.142 0.000 1.529 31 H HN 0.682 8.962 8.280 -0.000 0.000 0.510 32 Q N 1.441 120.540 119.800 -1.168 0.000 2.361 32 Q HA 0.219 4.543 4.340 -0.028 0.000 0.276 32 Q C 0.339 176.076 176.000 -0.438 0.000 1.022 32 Q CA 0.579 55.806 55.803 -0.959 0.000 0.898 32 Q CB 0.320 28.063 28.738 -1.658 0.000 1.246 32 Q HN 0.996 9.266 8.270 -0.000 0.000 0.410 33 G N 3.468 112.110 108.800 -0.263 0.000 2.351 33 G HA2 -0.252 3.691 3.960 -0.028 0.000 0.297 33 G HA3 -0.252 3.691 3.960 -0.028 0.000 0.297 33 G C -0.531 174.324 174.900 -0.075 0.000 1.054 33 G CA 0.462 45.487 45.100 -0.125 0.000 1.123 33 G HN 0.722 9.012 8.290 -0.000 0.000 0.512 34 E N 0.184 120.348 120.200 -0.059 0.000 3.909 34 E HA 0.212 4.545 4.350 -0.028 0.000 0.236 34 E C 0.090 176.693 176.600 0.005 0.000 1.222 34 E CA -0.849 55.539 56.400 -0.021 0.000 1.205 34 E CB 0.486 30.177 29.700 -0.014 0.000 1.249 34 E HN 0.564 8.924 8.360 -0.000 0.000 0.411 35 K N 0.961 121.370 120.400 0.015 0.000 4.789 35 K HA -0.210 4.093 4.320 -0.028 0.000 0.520 35 K C -0.248 176.388 176.600 0.059 0.000 1.309 35 K CA 0.522 56.834 56.287 0.042 0.000 1.141 35 K CB -0.411 32.112 32.500 0.038 0.000 1.885 35 K HN 0.432 8.682 8.250 -0.000 0.000 0.283 36 A N 3.561 126.448 122.820 0.112 0.000 2.404 36 A HA 0.217 4.520 4.320 -0.028 0.000 0.273 36 A C 0.536 178.221 177.584 0.168 0.000 1.144 36 A CA -0.079 52.057 52.037 0.165 0.000 0.806 36 A CB 0.414 19.604 19.000 0.316 0.000 1.080 36 A HN 0.698 8.848 8.150 -0.000 0.000 0.509 37 E N 0.907 120.954 120.200 -0.256 0.000 3.067 37 E HA 0.219 4.552 4.350 -0.028 0.000 0.188 37 E C -0.299 175.755 176.600 -0.910 0.000 0.964 37 E CA 0.360 56.483 56.400 -0.460 0.000 1.286 37 E CB 0.701 30.346 29.700 -0.093 0.000 1.051 37 E HN 0.673 9.033 8.360 -0.000 0.000 0.465 38 T N -0.432 113.336 114.554 -1.310 0.000 3.047 38 T HA 0.504 4.838 4.350 -0.028 0.000 0.340 38 T C -1.914 172.534 174.700 -0.419 0.000 1.421 38 T CA -0.808 60.834 62.100 -0.764 0.000 1.090 38 T CB 0.290 68.939 68.868 -0.367 0.000 1.292 38 T HN 0.213 8.453 8.240 -0.000 0.000 0.480 39 L N 2.431 123.561 121.223 -0.154 0.000 2.341 39 L HA 0.886 5.210 4.340 -0.028 0.000 0.278 39 L C -1.217 175.731 176.870 0.130 0.000 1.005 39 L CA -1.070 53.877 54.840 0.179 0.000 0.818 39 L CB 0.942 43.086 42.059 0.141 0.000 1.259 39 L HN 0.484 8.714 8.230 -0.000 0.000 0.418 40 Y N 2.079 122.419 120.300 0.066 0.000 2.354 40 Y HA 0.443 4.974 4.550 -0.032 0.000 0.322 40 Y C -0.608 175.381 175.900 0.148 0.000 1.253 40 Y CA -0.808 57.324 58.100 0.052 0.000 1.272 40 Y CB 0.981 39.413 38.460 -0.046 0.000 1.255 40 Y HN 0.591 8.871 8.280 -0.000 0.000 0.500 41 Y N 1.955 122.306 120.300 0.086 0.000 2.563 41 Y HA 0.437 4.969 4.550 -0.031 0.000 0.351 41 Y C -0.670 175.188 175.900 -0.070 0.000 1.087 41 Y CA -0.828 57.240 58.100 -0.053 0.000 1.272 41 Y CB -0.026 38.411 38.460 -0.039 0.000 1.095 41 Y HN 0.578 8.858 8.280 -0.000 0.000 0.620 42 I N 5.188 125.554 120.570 -0.340 0.000 3.353 42 I HA -0.229 3.924 4.170 -0.028 0.000 0.323 42 I C 0.976 176.887 176.117 -0.344 0.000 1.254 42 I CA 0.558 61.685 61.300 -0.288 0.000 1.395 42 I CB 0.128 37.970 38.000 -0.263 0.000 1.387 42 I HN 0.524 8.734 8.210 -0.000 0.000 0.504 43 V N 5.760 125.600 119.914 -0.123 0.000 2.302 43 V HA -0.051 4.052 4.120 -0.028 0.000 0.243 43 V C 1.007 177.073 176.094 -0.046 0.000 1.036 43 V CA 1.413 63.691 62.300 -0.037 0.000 1.020 43 V CB -0.221 31.634 31.823 0.054 0.000 0.657 43 V HN 0.729 8.919 8.190 -0.000 0.000 0.453 44 K N -0.201 120.182 120.400 -0.029 0.000 2.507 44 K HA 0.541 4.844 4.320 -0.028 0.000 0.251 44 K C -0.398 176.190 176.600 -0.020 0.000 0.943 44 K CA 0.562 56.837 56.287 -0.020 0.000 0.794 44 K CB 1.568 34.071 32.500 0.005 0.000 1.188 44 K HN 0.456 8.706 8.250 -0.000 0.000 0.428 45 G N 1.411 110.193 108.800 -0.029 0.000 2.306 45 G HA2 0.033 3.976 3.960 -0.028 0.000 0.262 45 G HA3 0.033 3.976 3.960 -0.028 0.000 0.262 45 G C -1.559 173.321 174.900 -0.033 0.000 1.263 45 G CA -0.163 44.924 45.100 -0.022 0.000 1.088 45 G HN 1.257 9.547 8.290 -0.000 0.000 0.489 46 S N -1.209 114.479 115.700 -0.019 0.000 2.626 46 S HA 0.729 5.182 4.470 -0.028 0.000 0.275 46 S C -0.336 174.277 174.600 0.020 0.000 1.175 46 S CA 0.465 58.661 58.200 -0.006 0.000 0.982 46 S CB 0.998 64.198 63.200 -0.000 0.000 1.093 46 S HN 2.349 10.659 8.310 -0.000 0.000 0.472 47 V N 1.135 121.053 119.914 0.007 0.000 3.109 47 V HA 1.041 5.145 4.120 -0.028 0.000 0.317 47 V C 0.257 176.386 176.094 0.059 0.000 1.074 47 V CA -0.343 61.958 62.300 0.002 0.000 1.033 47 V CB 1.030 32.812 31.823 -0.068 0.000 1.111 47 V HN 1.670 9.860 8.190 -0.000 0.000 0.458 48 A N 1.680 124.510 122.820 0.016 0.000 2.386 48 A HA 0.832 5.135 4.320 -0.028 0.000 0.311 48 A C -0.787 176.737 177.584 -0.100 0.000 1.068 48 A CA -0.659 51.335 52.037 -0.071 0.000 0.743 48 A CB 1.838 20.769 19.000 -0.115 0.000 1.258 48 A HN 1.387 9.537 8.150 -0.000 0.000 0.429 49 V N 2.522 122.354 119.914 -0.136 0.000 2.370 49 V HA 0.611 4.714 4.120 -0.028 0.000 0.283 49 V C -0.731 175.331 176.094 -0.052 0.000 1.023 49 V CA -0.399 61.859 62.300 -0.070 0.000 0.857 49 V CB 0.371 32.160 31.823 -0.057 0.000 0.985 49 V HN 0.851 9.041 8.190 -0.000 0.000 0.443 50 L N 4.763 126.011 121.223 0.042 0.000 2.434 50 L HA 0.852 5.176 4.340 -0.028 0.000 0.260 50 L C -0.573 176.440 176.870 0.238 0.000 0.983 50 L CA -0.842 54.039 54.840 0.069 0.000 0.820 50 L CB 1.771 43.819 42.059 -0.019 0.000 1.361 50 L HN 0.624 8.854 8.230 -0.000 0.000 0.410 51 I N -1.130 119.534 120.570 0.157 0.000 2.797 51 I HA 0.807 4.961 4.170 -0.028 0.000 0.307 51 I C -0.606 175.559 176.117 0.081 0.000 1.033 51 I CA -0.817 60.628 61.300 0.242 0.000 1.071 51 I CB 2.061 40.152 38.000 0.152 0.000 1.255 51 I HN 0.674 8.884 8.210 -0.000 0.000 0.445 52 K N 1.405 121.850 120.400 0.076 0.000 2.378 52 K HA 0.498 4.801 4.320 -0.028 0.000 0.244 52 K C -1.658 174.945 176.600 0.005 0.000 1.039 52 K CA -0.794 55.460 56.287 -0.054 0.000 0.863 52 K CB 2.153 34.510 32.500 -0.238 0.000 1.326 52 K HN 0.837 9.087 8.250 -0.000 0.000 0.460 53 D N -0.227 120.159 120.400 -0.024 0.000 2.498 53 D HA 0.113 4.737 4.640 -0.028 0.000 0.247 53 D C 0.553 176.847 176.300 -0.011 0.000 1.070 53 D CA -0.528 53.469 54.000 -0.005 0.000 0.842 53 D CB 1.314 42.107 40.800 -0.011 0.000 1.361 53 D HN 0.408 8.778 8.370 -0.000 0.000 0.484 54 E N 2.115 122.318 120.200 0.005 0.000 2.340 54 E HA -0.355 3.978 4.350 -0.028 0.000 0.246 54 E C 1.229 177.824 176.600 -0.009 0.000 1.077 54 E CA 2.005 58.407 56.400 0.005 0.000 1.060 54 E CB -0.409 29.295 29.700 0.007 0.000 0.935 54 E HN 0.704 9.064 8.360 -0.000 0.000 0.495 55 E N -0.537 119.654 120.200 -0.014 0.000 2.501 55 E HA -0.063 4.270 4.350 -0.028 0.000 0.203 55 E C 1.262 177.842 176.600 -0.032 0.000 1.072 55 E CA 0.986 57.374 56.400 -0.019 0.000 0.885 55 E CB -0.414 29.276 29.700 -0.018 0.000 0.813 55 E HN 0.555 8.915 8.360 -0.000 0.000 0.556 56 G N -0.094 108.680 108.800 -0.044 0.000 2.349 56 G HA2 -0.342 3.602 3.960 -0.028 0.000 0.213 56 G HA3 -0.342 3.602 3.960 -0.028 0.000 0.213 56 G C 0.497 175.341 174.900 -0.094 0.000 1.044 56 G CA 0.018 45.075 45.100 -0.071 0.000 0.633 56 G HN 0.307 8.597 8.290 -0.000 0.000 0.506 57 K N 2.170 122.527 120.400 -0.071 0.000 2.494 57 K HA 0.386 4.689 4.320 -0.028 0.000 0.273 57 K C 0.491 177.034 176.600 -0.094 0.000 0.970 57 K CA 0.787 57.030 56.287 -0.074 0.000 0.963 57 K CB 0.143 32.613 32.500 -0.051 0.000 0.913 57 K HN 0.567 8.817 8.250 -0.000 0.000 0.502 58 E N 2.193 122.333 120.200 -0.099 0.000 2.249 58 E HA 0.468 4.801 4.350 -0.028 0.000 0.263 58 E C -0.829 175.726 176.600 -0.075 0.000 0.950 58 E CA -1.080 55.253 56.400 -0.111 0.000 0.827 58 E CB 1.850 31.463 29.700 -0.144 0.000 1.220 58 E HN 0.557 8.917 8.360 -0.000 0.000 0.411 59 M N 1.603 121.164 119.600 -0.066 0.000 2.433 59 M HA 0.420 4.883 4.480 -0.028 0.000 0.290 59 M C -1.936 174.320 176.300 -0.072 0.000 1.173 59 M CA -0.405 54.861 55.300 -0.056 0.000 0.905 59 M CB 1.632 34.210 32.600 -0.036 0.000 1.692 59 M HN 0.486 8.776 8.290 -0.000 0.000 0.462 60 I N 6.112 126.621 120.570 -0.101 0.000 2.282 60 I HA 0.117 4.271 4.170 -0.028 0.000 0.290 60 I C 0.774 176.804 176.117 -0.146 0.000 1.090 60 I CA -0.287 60.911 61.300 -0.171 0.000 1.231 60 I CB 0.740 38.569 38.000 -0.284 0.000 1.434 60 I HN 0.862 9.072 8.210 -0.000 0.000 0.487 61 L N 3.301 124.463 121.223 -0.102 0.000 1.989 61 L HA -0.136 4.187 4.340 -0.028 0.000 0.211 61 L C 1.245 178.068 176.870 -0.079 0.000 1.071 61 L CA 1.574 56.374 54.840 -0.066 0.000 0.749 61 L CB -0.192 41.847 42.059 -0.034 0.000 0.890 61 L HN 0.640 8.870 8.230 -0.000 0.000 0.431 62 S N -3.040 112.588 115.700 -0.120 0.000 2.705 62 S HA 0.466 4.919 4.470 -0.028 0.000 0.280 62 S C -1.736 172.755 174.600 -0.182 0.000 1.174 62 S CA -0.594 57.551 58.200 -0.091 0.000 0.823 62 S CB 1.411 64.599 63.200 -0.020 0.000 1.162 62 S HN 0.034 8.344 8.310 -0.000 0.000 0.487 63 Y N 1.528 121.823 120.300 -0.008 0.000 2.488 63 Y HA 0.523 5.055 4.550 -0.029 0.000 0.330 63 Y C -0.561 175.325 175.900 -0.022 0.000 1.013 63 Y CA -0.754 57.336 58.100 -0.016 0.000 1.304 63 Y CB 1.073 39.524 38.460 -0.014 0.000 1.098 63 Y HN 0.476 8.756 8.280 -0.000 0.000 0.498 64 L N 3.547 124.832 121.223 0.103 0.000 2.456 64 L HA 0.418 4.741 4.340 -0.028 0.000 0.257 64 L C 0.245 177.129 176.870 0.025 0.000 1.162 64 L CA -0.249 54.614 54.840 0.040 0.000 0.808 64 L CB 0.536 42.591 42.059 -0.007 0.000 1.136 64 L HN 0.642 8.872 8.230 -0.000 0.000 0.466 65 N N -0.503 118.183 118.700 -0.024 0.000 3.439 65 N HA 0.120 4.844 4.740 -0.028 0.000 0.343 65 N C -0.999 174.444 175.510 -0.111 0.000 1.597 65 N CA -0.681 52.339 53.050 -0.049 0.000 0.733 65 N CB 0.523 38.990 38.487 -0.034 0.000 1.973 65 N HN 0.437 8.817 8.380 -0.000 0.000 0.646 66 Q N 0.816 120.555 119.800 -0.102 0.000 2.364 66 Q HA 0.226 4.549 4.340 -0.028 0.000 0.263 66 Q C 0.076 175.961 176.000 -0.191 0.000 1.276 66 Q CA 0.731 56.454 55.803 -0.134 0.000 0.923 66 Q CB -1.061 27.632 28.738 -0.075 0.000 1.477 66 Q HN 0.841 9.111 8.270 -0.000 0.000 0.484 67 G N 3.550 112.117 108.800 -0.387 0.000 2.151 67 G HA2 -0.143 3.801 3.960 -0.028 0.000 0.156 67 G HA3 -0.143 3.801 3.960 -0.028 0.000 0.156 67 G C -0.791 173.805 174.900 -0.506 0.000 1.017 67 G CA -0.291 44.490 45.100 -0.532 0.000 0.686 67 G HN 0.624 8.914 8.290 -0.000 0.000 0.503 68 D N 0.115 120.232 120.400 -0.472 0.000 2.344 68 D HA 0.548 5.172 4.640 -0.028 0.000 0.239 68 D C 0.573 176.747 176.300 -0.209 0.000 1.064 68 D CA -0.359 53.511 54.000 -0.216 0.000 0.829 68 D CB 0.704 41.451 40.800 -0.088 0.000 1.129 68 D HN 0.024 8.394 8.370 -0.000 0.000 0.506 69 F N 1.710 121.663 119.950 0.005 0.000 2.589 69 F HA 0.149 4.660 4.527 -0.026 0.000 0.352 69 F C 1.082 176.897 175.800 0.025 0.000 1.168 69 F CA 0.434 58.484 58.000 0.083 0.000 1.353 69 F CB 0.467 39.509 39.000 0.071 0.000 1.116 69 F HN 0.132 8.432 8.300 -0.000 0.000 0.608 70 I N 0.467 121.187 120.570 0.249 0.000 2.769 70 I HA 0.421 4.574 4.170 -0.028 0.000 0.298 70 I C 0.283 176.491 176.117 0.152 0.000 1.128 70 I CA -1.031 60.342 61.300 0.122 0.000 1.031 70 I CB 2.013 40.018 38.000 0.008 0.000 1.235 70 I HN 0.674 8.884 8.210 -0.000 0.000 0.423 71 G N 3.803 112.646 108.800 0.071 0.000 2.333 71 G HA2 -0.232 3.712 3.960 -0.028 0.000 0.296 71 G HA3 -0.232 3.712 3.960 -0.028 0.000 0.296 71 G C 0.195 175.213 174.900 0.195 0.000 1.059 71 G CA 0.664 45.827 45.100 0.106 0.000 1.050 71 G HN 0.853 9.143 8.290 -0.000 0.000 0.508 72 E N -0.228 120.037 120.200 0.109 0.000 2.290 72 E HA 0.216 4.549 4.350 -0.028 0.000 0.197 72 E C 2.393 178.988 176.600 -0.008 0.000 0.948 72 E CA -0.025 56.388 56.400 0.022 0.000 0.895 72 E CB -0.218 29.467 29.700 -0.025 0.000 0.865 72 E HN 0.466 8.826 8.360 -0.000 0.000 0.486 73 L N 0.954 122.208 121.223 0.052 0.000 2.683 73 L HA -0.153 4.170 4.340 -0.028 0.000 0.236 73 L C 1.412 178.311 176.870 0.048 0.000 1.179 73 L CA 1.345 56.223 54.840 0.063 0.000 0.822 73 L CB -0.432 41.655 42.059 0.047 0.000 0.952 73 L HN 0.423 8.653 8.230 -0.000 0.000 0.455 74 G N -1.017 107.763 108.800 -0.034 0.000 3.215 74 G HA2 0.077 4.020 3.960 -0.028 0.000 0.236 74 G HA3 0.077 4.020 3.960 -0.028 0.000 0.236 74 G C 1.087 175.710 174.900 -0.463 0.000 1.029 74 G CA -0.030 45.014 45.100 -0.093 0.000 0.909 74 G HN 0.288 8.578 8.290 -0.000 0.000 0.543 75 L N -1.959 118.720 121.223 -0.906 0.000 2.549 75 L HA 0.355 4.678 4.340 -0.028 0.000 0.230 75 L C 1.496 177.929 176.870 -0.728 0.000 1.162 75 L CA 1.426 55.480 54.840 -1.311 0.000 0.834 75 L CB -0.594 40.807 42.059 -1.097 0.000 0.947 75 L HN 0.024 8.254 8.230 -0.000 0.000 0.452 76 F N -0.656 119.141 119.950 -0.254 0.000 2.717 76 F HA 0.398 4.909 4.527 -0.026 0.000 0.295 76 F C 0.978 176.729 175.800 -0.082 0.000 1.117 76 F CA -0.118 57.806 58.000 -0.126 0.000 1.361 76 F CB 0.381 39.326 39.000 -0.093 0.000 1.112 76 F HN 0.059 8.359 8.300 -0.000 0.000 0.594 77 E N 0.871 121.116 120.200 0.076 0.000 2.551 77 E HA 0.113 4.447 4.350 -0.028 0.000 0.321 77 E C -0.904 175.721 176.600 0.042 0.000 0.975 77 E CA -0.257 56.179 56.400 0.060 0.000 0.784 77 E CB 0.994 30.731 29.700 0.061 0.000 1.493 77 E HN -0.026 8.334 8.360 -0.000 0.000 0.385 78 E N 0.142 120.369 120.200 0.045 0.000 2.485 78 E HA 0.230 4.564 4.350 -0.028 0.000 0.266 78 E C 1.149 177.783 176.600 0.056 0.000 1.137 78 E CA 2.062 58.500 56.400 0.063 0.000 1.010 78 E CB 0.317 30.057 29.700 0.066 0.000 0.986 78 E HN 0.718 9.078 8.360 -0.000 0.000 0.460 79 G N 1.345 110.182 108.800 0.061 0.000 2.176 79 G HA2 -0.265 3.678 3.960 -0.028 0.000 0.232 79 G HA3 -0.265 3.678 3.960 -0.028 0.000 0.232 79 G C 0.132 175.059 174.900 0.046 0.000 0.986 79 G CA 0.399 45.528 45.100 0.047 0.000 0.643 79 G HN 0.469 8.759 8.290 -0.000 0.000 0.522 80 Q N 0.493 120.328 119.800 0.059 0.000 2.193 80 Q HA 0.680 5.003 4.340 -0.028 0.000 0.246 80 Q C 0.157 176.193 176.000 0.059 0.000 0.959 80 Q CA -0.256 55.579 55.803 0.054 0.000 0.904 80 Q CB 1.169 29.941 28.738 0.056 0.000 1.238 80 Q HN 0.574 8.844 8.270 -0.000 0.000 0.469 81 E N 0.536 120.758 120.200 0.036 0.000 2.390 81 E HA 0.390 4.724 4.350 -0.028 0.000 0.277 81 E C -0.852 175.741 176.600 -0.012 0.000 0.939 81 E CA -0.905 55.506 56.400 0.019 0.000 0.769 81 E CB 0.899 30.599 29.700 0.001 0.000 1.251 81 E HN 0.391 8.751 8.360 -0.000 0.000 0.450 82 R N 0.575 121.052 120.500 -0.040 0.000 2.500 82 R HA -0.072 4.251 4.340 -0.028 0.000 0.280 82 R C 0.822 177.049 176.300 -0.122 0.000 0.977 82 R CA 1.265 57.305 56.100 -0.099 0.000 1.078 82 R CB -0.508 29.682 30.300 -0.184 0.000 0.869 82 R HN 0.848 9.118 8.270 -0.000 0.000 0.430 83 S N -1.915 113.706 115.700 -0.133 0.000 2.817 83 S HA 0.464 4.917 4.470 -0.028 0.000 0.262 83 S C -0.007 174.529 174.600 -0.107 0.000 1.051 83 S CA 0.014 58.154 58.200 -0.100 0.000 1.185 83 S CB 0.954 64.129 63.200 -0.041 0.000 1.152 83 S HN 0.899 9.209 8.310 -0.000 0.000 0.653 84 A N 0.448 123.159 122.820 -0.182 0.000 2.597 84 A HA 0.564 4.867 4.320 -0.028 0.000 0.292 84 A C -1.768 175.721 177.584 -0.159 0.000 1.057 84 A CA -0.748 51.240 52.037 -0.081 0.000 0.674 84 A CB 0.376 19.381 19.000 0.008 0.000 1.278 84 A HN 0.362 8.512 8.150 -0.000 0.000 0.416 85 W N 1.116 122.374 121.300 -0.071 0.000 2.313 85 W HA 0.542 5.183 4.660 -0.031 0.000 0.328 85 W C -0.874 175.557 176.519 -0.146 0.000 1.197 85 W CA -0.271 57.004 57.345 -0.117 0.000 1.235 85 W CB 1.900 31.301 29.460 -0.097 0.000 1.158 85 W HN 0.489 8.669 8.180 -0.000 0.000 0.578 86 V N 3.830 123.750 119.914 0.009 0.000 2.447 86 V HA 0.352 4.456 4.120 -0.028 0.000 0.292 86 V C -0.122 175.925 176.094 -0.079 0.000 1.021 86 V CA -0.962 61.297 62.300 -0.068 0.000 0.850 86 V CB 1.495 33.218 31.823 -0.167 0.000 1.005 86 V HN 0.536 8.726 8.190 -0.000 0.000 0.426 87 R N 4.254 124.731 120.500 -0.038 0.000 2.437 87 R HA 0.842 5.165 4.340 -0.028 0.000 0.310 87 R C -0.126 176.167 176.300 -0.011 0.000 0.955 87 R CA -0.415 55.671 56.100 -0.023 0.000 0.851 87 R CB 1.846 32.145 30.300 -0.001 0.000 1.161 87 R HN 0.726 8.996 8.270 -0.000 0.000 0.446 88 A N 3.714 126.532 122.820 -0.003 0.000 2.548 88 A HA 0.016 4.319 4.320 -0.028 0.000 0.247 88 A C 0.860 178.467 177.584 0.038 0.000 1.067 88 A CA 0.018 52.062 52.037 0.011 0.000 0.757 88 A CB 0.361 19.381 19.000 0.032 0.000 0.996 88 A HN 1.060 9.210 8.150 -0.000 0.000 0.504 89 K N 1.649 122.080 120.400 0.051 0.000 2.021 89 K HA -0.030 4.274 4.320 -0.028 0.000 0.205 89 K C 0.868 177.494 176.600 0.043 0.000 1.047 89 K CA 1.838 58.167 56.287 0.070 0.000 0.943 89 K CB -0.040 32.530 32.500 0.116 0.000 0.725 89 K HN 0.795 9.045 8.250 -0.000 0.000 0.439 90 T N -0.346 114.227 114.554 0.031 0.000 2.861 90 T HA 0.473 4.806 4.350 -0.028 0.000 0.265 90 T C -0.671 174.048 174.700 0.032 0.000 1.104 90 T CA -0.421 61.693 62.100 0.022 0.000 0.987 90 T CB 0.694 69.566 68.868 0.008 0.000 2.051 90 T HN 0.167 8.407 8.240 -0.000 0.000 0.570 91 A N 0.381 123.219 122.820 0.029 0.000 2.316 91 A HA 0.543 4.846 4.320 -0.028 0.000 0.311 91 A C -0.214 177.396 177.584 0.043 0.000 1.339 91 A CA -0.467 51.596 52.037 0.043 0.000 0.960 91 A CB -0.797 18.224 19.000 0.036 0.000 1.152 91 A HN 0.747 8.897 8.150 -0.000 0.000 0.547 92 C N 2.396 121.733 119.300 0.061 0.000 2.417 92 C HA 0.550 4.994 4.460 -0.028 0.000 0.324 92 C C 0.059 175.102 174.990 0.088 0.000 1.240 92 C CA -0.541 58.503 59.018 0.043 0.000 1.632 92 C CB 0.962 28.700 27.740 -0.004 0.000 2.241 92 C HN 0.851 9.081 8.230 -0.000 0.000 0.499 93 E N 2.236 122.475 120.200 0.064 0.000 2.129 93 E HA 0.477 4.810 4.350 -0.028 0.000 0.268 93 E C -0.745 175.894 176.600 0.064 0.000 0.900 93 E CA -0.342 56.121 56.400 0.105 0.000 0.755 93 E CB 1.637 31.387 29.700 0.084 0.000 1.117 93 E HN 0.582 8.942 8.360 -0.000 0.000 0.410 94 V N -0.326 119.647 119.914 0.099 0.000 2.459 94 V HA 0.746 4.849 4.120 -0.028 0.000 0.295 94 V C 0.065 176.156 176.094 -0.005 0.000 1.029 94 V CA -0.969 61.356 62.300 0.042 0.000 0.874 94 V CB 1.437 33.273 31.823 0.022 0.000 0.985 94 V HN 0.675 8.865 8.190 -0.000 0.000 0.438 95 A N 3.804 126.632 122.820 0.014 0.000 2.666 95 A HA 0.434 4.737 4.320 -0.028 0.000 0.312 95 A C 0.389 177.856 177.584 -0.196 0.000 1.471 95 A CA -0.313 51.690 52.037 -0.057 0.000 1.134 95 A CB -0.416 18.641 19.000 0.094 0.000 1.129 95 A HN 0.889 9.039 8.150 -0.000 0.000 0.539 96 E N 1.059 120.990 120.200 -0.449 0.000 2.366 96 E HA 0.510 4.844 4.350 -0.028 0.000 0.266 96 E C -0.747 175.612 176.600 -0.401 0.000 1.051 96 E CA 0.129 56.204 56.400 -0.542 0.000 0.884 96 E CB 1.491 30.760 29.700 -0.718 0.000 1.006 96 E HN 0.729 9.089 8.360 -0.000 0.000 0.417 97 I N 0.465 120.836 120.570 -0.331 0.000 2.718 97 I HA 0.038 4.191 4.170 -0.028 0.000 0.287 97 I C -0.340 175.689 176.117 -0.146 0.000 1.645 97 I CA -0.300 60.863 61.300 -0.228 0.000 1.030 97 I CB 1.504 39.389 38.000 -0.193 0.000 1.470 97 I HN 0.575 8.785 8.210 -0.000 0.000 0.455 98 S N 5.391 121.041 115.700 -0.084 0.000 2.606 98 S HA 0.250 4.703 4.470 -0.028 0.000 0.257 98 S C 0.593 175.246 174.600 0.087 0.000 1.327 98 S CA 0.097 58.255 58.200 -0.071 0.000 0.984 98 S CB 0.637 63.832 63.200 -0.008 0.000 0.941 98 S HN 0.618 8.928 8.310 -0.000 0.000 0.576 99 Y N 0.696 121.032 120.300 0.060 0.000 2.176 99 Y HA 0.171 4.706 4.550 -0.025 0.000 0.291 99 Y C 2.573 178.551 175.900 0.130 0.000 1.122 99 Y CA 0.853 59.008 58.100 0.092 0.000 1.128 99 Y CB -1.153 37.330 38.460 0.038 0.000 1.005 99 Y HN 0.724 9.004 8.280 -0.000 0.000 0.509 100 K N 0.395 120.947 120.400 0.253 0.000 2.000 100 K HA -0.237 4.066 4.320 -0.028 0.000 0.218 100 K C 2.254 178.940 176.600 0.143 0.000 1.053 100 K CA 1.845 58.225 56.287 0.155 0.000 0.946 100 K CB -0.091 32.474 32.500 0.109 0.000 0.723 100 K HN 0.001 8.251 8.250 -0.000 0.000 0.446 101 K N 0.256 120.737 120.400 0.135 0.000 2.001 101 K HA -0.238 4.066 4.320 -0.028 0.000 0.223 101 K C 2.025 178.715 176.600 0.150 0.000 1.055 101 K CA 2.052 58.413 56.287 0.123 0.000 0.965 101 K CB -0.861 31.700 32.500 0.102 0.000 0.730 101 K HN 0.229 8.479 8.250 -0.000 0.000 0.449 102 F N 1.934 121.929 119.950 0.076 0.000 2.176 102 F HA -0.300 4.210 4.527 -0.027 0.000 0.301 102 F C 2.531 178.381 175.800 0.083 0.000 1.071 102 F CA 1.895 59.964 58.000 0.115 0.000 1.289 102 F CB -0.190 38.913 39.000 0.171 0.000 1.028 102 F HN 0.066 8.366 8.300 -0.000 0.000 0.494 103 R N 0.180 120.704 120.500 0.041 0.000 2.082 103 R HA -0.232 4.091 4.340 -0.028 0.000 0.228 103 R C 2.442 178.670 176.300 -0.121 0.000 1.140 103 R CA 1.860 57.902 56.100 -0.096 0.000 0.920 103 R CB -0.841 29.468 30.300 0.015 0.000 0.828 103 R HN 0.465 8.735 8.270 -0.000 0.000 0.430 104 Q N 0.505 120.289 119.800 -0.026 0.000 2.449 104 Q HA -0.176 4.147 4.340 -0.028 0.000 0.214 104 Q C 1.774 177.775 176.000 0.001 0.000 0.986 104 Q CA 1.065 56.864 55.803 -0.007 0.000 0.893 104 Q CB -0.036 28.722 28.738 0.034 0.000 0.940 104 Q HN 0.462 8.732 8.270 -0.000 0.000 0.477 105 L N -0.379 120.831 121.223 -0.022 0.000 2.095 105 L HA -0.133 4.190 4.340 -0.028 0.000 0.204 105 L C 2.262 179.125 176.870 -0.011 0.000 1.080 105 L CA 0.680 55.629 54.840 0.181 0.000 0.759 105 L CB -0.343 41.799 42.059 0.137 0.000 0.914 105 L HN 0.292 8.522 8.230 -0.000 0.000 0.439 106 I N -0.107 120.314 120.570 -0.248 0.000 2.208 106 I HA -0.342 3.811 4.170 -0.028 0.000 0.245 106 I C 2.709 178.705 176.117 -0.202 0.000 1.097 106 I CA 1.387 62.518 61.300 -0.281 0.000 1.363 106 I CB -0.366 37.440 38.000 -0.323 0.000 1.051 106 I HN 0.401 8.611 8.210 -0.000 0.000 0.413 107 Q N 1.021 120.735 119.800 -0.143 0.000 2.135 107 Q HA -0.181 4.142 4.340 -0.028 0.000 0.204 107 Q C 2.199 178.117 176.000 -0.137 0.000 0.981 107 Q CA 2.031 57.768 55.803 -0.110 0.000 0.856 107 Q CB 0.100 28.798 28.738 -0.066 0.000 0.902 107 Q HN 0.413 8.683 8.270 -0.000 0.000 0.425 108 V N 1.042 120.856 119.914 -0.167 0.000 2.221 108 V HA -0.134 3.969 4.120 -0.028 0.000 0.240 108 V C 1.329 177.218 176.094 -0.343 0.000 1.041 108 V CA 1.632 63.795 62.300 -0.228 0.000 0.991 108 V CB -0.606 31.059 31.823 -0.263 0.000 0.634 108 V HN 0.404 8.594 8.190 -0.000 0.000 0.450 109 N N 0.580 118.951 118.700 -0.548 0.000 2.399 109 N HA 0.250 4.973 4.740 -0.028 0.000 0.295 109 N C -1.893 173.408 175.510 -0.349 0.000 1.048 109 N CA -1.994 50.745 53.050 -0.519 0.000 0.886 109 N CB 2.652 40.637 38.487 -0.837 0.000 1.185 109 N HN 0.026 8.406 8.380 -0.000 0.000 0.487 110 P HA -0.000 4.420 4.420 -0.000 0.000 0.215 110 P C 0.671 177.893 177.300 -0.129 0.000 1.157 110 P CA 0.760 63.766 63.100 -0.157 0.000 0.869 110 P CB 0.629 32.259 31.700 -0.117 0.000 0.781 111 D N 0.065 120.388 120.400 -0.128 0.000 2.242 111 D HA -0.239 4.385 4.640 -0.028 0.000 0.190 111 D C 1.769 178.041 176.300 -0.047 0.000 1.012 111 D CA 1.365 55.316 54.000 -0.081 0.000 0.875 111 D CB -0.657 40.087 40.800 -0.092 0.000 0.922 111 D HN -0.023 8.347 8.370 -0.000 0.000 0.448 112 I N -0.257 120.274 120.570 -0.065 0.000 2.916 112 I HA -0.048 4.105 4.170 -0.028 0.000 0.267 112 I C 1.673 177.775 176.117 -0.025 0.000 1.263 112 I CA 0.572 61.883 61.300 0.018 0.000 1.471 112 I CB -0.073 38.023 38.000 0.161 0.000 1.089 112 I HN 0.201 8.411 8.210 -0.000 0.000 0.468 113 L N -0.406 120.782 121.223 -0.058 0.000 2.270 113 L HA 0.100 4.423 4.340 -0.028 0.000 0.210 113 L C 1.882 178.749 176.870 -0.004 0.000 1.104 113 L CA 1.299 56.120 54.840 -0.032 0.000 0.804 113 L CB -0.352 41.684 42.059 -0.038 0.000 0.937 113 L HN 0.102 8.332 8.230 -0.000 0.000 0.450 114 M N -0.767 118.828 119.600 -0.008 0.000 2.696 114 M HA -0.008 4.455 4.480 -0.028 0.000 0.220 114 M C 1.615 177.933 176.300 0.031 0.000 1.133 114 M CA 0.721 56.027 55.300 0.009 0.000 1.016 114 M CB -0.599 32.001 32.600 -0.000 0.000 1.740 114 M HN 0.339 8.629 8.290 -0.000 0.000 0.502 115 R N 0.319 120.841 120.500 0.037 0.000 2.107 115 R HA 0.096 4.419 4.340 -0.028 0.000 0.195 115 R C 2.271 178.637 176.300 0.111 0.000 1.214 115 R CA 0.204 56.366 56.100 0.104 0.000 1.129 115 R CB -0.009 30.407 30.300 0.194 0.000 1.045 115 R HN 0.386 8.656 8.270 -0.000 0.000 0.489 116 L N 0.293 121.505 121.223 -0.018 0.000 2.056 116 L HA -0.035 4.288 4.340 -0.028 0.000 0.207 116 L C 2.191 179.070 176.870 0.016 0.000 1.078 116 L CA 1.945 56.761 54.840 -0.039 0.000 0.749 116 L CB -1.003 40.718 42.059 -0.564 0.000 0.901 116 L HN 0.202 8.432 8.230 -0.000 0.000 0.433 117 S N 1.347 117.052 115.700 0.009 0.000 2.389 117 S HA -0.316 4.138 4.470 -0.028 0.000 0.231 117 S C 2.151 176.776 174.600 0.042 0.000 1.052 117 S CA 1.533 59.762 58.200 0.048 0.000 1.053 117 S CB -1.131 62.098 63.200 0.047 0.000 0.886 117 S HN 0.683 8.993 8.310 -0.000 0.000 0.456 118 A N 1.632 124.481 122.820 0.049 0.000 1.841 118 A HA -0.111 4.192 4.320 -0.028 0.000 0.214 118 A C 2.369 179.990 177.584 0.062 0.000 1.195 118 A CA 1.543 53.611 52.037 0.051 0.000 0.611 118 A CB -1.090 17.946 19.000 0.059 0.000 0.835 118 A HN 0.596 8.746 8.150 -0.000 0.000 0.443 119 Q N -0.690 119.165 119.800 0.092 0.000 2.142 119 Q HA -0.233 4.090 4.340 -0.028 0.000 0.213 119 Q C 1.262 177.308 176.000 0.077 0.000 1.004 119 Q CA 1.807 57.674 55.803 0.107 0.000 0.883 119 Q CB -0.495 28.350 28.738 0.179 0.000 0.939 119 Q HN 0.888 9.158 8.270 -0.000 0.000 0.413 120 M N -2.639 117.002 119.600 0.068 0.000 3.176 120 M HA 0.532 4.995 4.480 -0.028 0.000 0.284 120 M C -0.070 176.250 176.300 0.033 0.000 1.392 120 M CA 0.264 55.595 55.300 0.051 0.000 1.520 120 M CB 0.987 33.623 32.600 0.059 0.000 1.100 120 M HN 0.084 8.374 8.290 -0.000 0.000 0.555 121 A N 2.065 124.903 122.820 0.030 0.000 2.076 121 A HA 0.084 4.387 4.320 -0.028 0.000 0.163 121 A C 1.507 179.105 177.584 0.023 0.000 2.134 121 A CA -0.121 51.928 52.037 0.019 0.000 1.550 121 A CB -0.206 18.805 19.000 0.017 0.000 1.518 121 A HN 0.601 8.751 8.150 -0.000 0.000 0.301 122 R N 1.105 121.625 120.500 0.032 0.000 2.153 122 R HA 0.188 4.511 4.340 -0.028 0.000 0.218 122 R C 1.986 178.305 176.300 0.032 0.000 1.072 122 R CA 1.879 57.999 56.100 0.033 0.000 0.990 122 R CB -0.317 30.008 30.300 0.040 0.000 0.889 122 R HN 0.603 8.873 8.270 -0.000 0.000 0.452 123 R N -0.536 119.984 120.500 0.033 0.000 2.066 123 R HA 0.026 4.350 4.340 -0.028 0.000 0.224 123 R C 1.840 178.153 176.300 0.022 0.000 1.122 123 R CA 0.725 56.842 56.100 0.029 0.000 0.974 123 R CB -0.637 29.682 30.300 0.032 0.000 0.871 123 R HN 0.098 8.368 8.270 -0.000 0.000 0.435 124 L N 2.114 123.348 121.223 0.018 0.000 2.129 124 L HA -0.226 4.098 4.340 -0.028 0.000 0.212 124 L C 1.783 178.661 176.870 0.014 0.000 1.087 124 L CA 1.835 56.682 54.840 0.012 0.000 0.757 124 L CB -0.741 41.322 42.059 0.006 0.000 0.896 124 L HN 0.231 8.461 8.230 -0.000 0.000 0.434 125 Q N -1.589 118.222 119.800 0.018 0.000 1.922 125 Q HA -0.129 4.194 4.340 -0.028 0.000 0.201 125 Q C 2.137 178.151 176.000 0.023 0.000 0.979 125 Q CA 1.812 57.627 55.803 0.020 0.000 0.841 125 Q CB -0.262 28.489 28.738 0.021 0.000 0.903 125 Q HN 0.313 8.583 8.270 -0.000 0.000 0.431 126 V N 0.909 120.838 119.914 0.025 0.000 2.226 126 V HA -0.410 3.694 4.120 -0.028 0.000 0.254 126 V C 2.244 178.352 176.094 0.023 0.000 1.065 126 V CA 2.460 64.777 62.300 0.027 0.000 1.039 126 V CB -1.265 30.575 31.823 0.029 0.000 0.653 126 V HN 0.541 8.731 8.190 -0.000 0.000 0.450 127 T N -0.078 114.486 114.554 0.018 0.000 2.721 127 T HA -0.235 4.098 4.350 -0.028 0.000 0.268 127 T C 2.002 176.707 174.700 0.009 0.000 1.038 127 T CA 1.923 64.029 62.100 0.010 0.000 1.145 127 T CB -0.370 68.502 68.868 0.007 0.000 0.858 127 T HN 0.613 8.853 8.240 -0.000 0.000 0.459 128 S N 0.844 116.553 115.700 0.014 0.000 2.382 128 S HA -0.103 4.350 4.470 -0.028 0.000 0.228 128 S C 1.941 176.558 174.600 0.028 0.000 1.027 128 S CA 0.869 59.079 58.200 0.018 0.000 0.991 128 S CB -0.247 62.968 63.200 0.025 0.000 0.823 128 S HN 0.584 8.894 8.310 -0.000 0.000 0.469 129 E N 0.858 121.079 120.200 0.035 0.000 2.358 129 E HA -0.031 4.302 4.350 -0.028 0.000 0.195 129 E C 1.935 178.557 176.600 0.037 0.000 1.010 129 E CA 0.458 56.888 56.400 0.049 0.000 0.856 129 E CB 0.075 29.803 29.700 0.046 0.000 0.795 129 E HN 0.381 8.741 8.360 -0.000 0.000 0.504 130 K N -0.171 120.239 120.400 0.017 0.000 2.116 130 K HA -0.043 4.261 4.320 -0.028 0.000 0.203 130 K C 1.892 178.479 176.600 -0.021 0.000 1.052 130 K CA 0.636 56.925 56.287 0.004 0.000 0.952 130 K CB 0.370 32.870 32.500 -0.001 0.000 0.729 130 K HN -0.010 8.240 8.250 -0.000 0.000 0.446 131 V N 0.267 120.161 119.914 -0.033 0.000 2.379 131 V HA -0.103 4.000 4.120 -0.028 0.000 0.245 131 V C 2.319 178.330 176.094 -0.138 0.000 1.044 131 V CA 1.964 64.213 62.300 -0.085 0.000 1.036 131 V CB -0.693 31.085 31.823 -0.075 0.000 0.664 131 V HN 0.493 8.683 8.190 -0.000 0.000 0.453 132 G N 0.153 108.932 108.800 -0.034 0.000 2.440 132 G HA2 -0.310 3.633 3.960 -0.028 0.000 0.218 132 G HA3 -0.310 3.633 3.960 -0.028 0.000 0.218 132 G C 1.442 176.388 174.900 0.077 0.000 1.154 132 G CA 1.303 46.452 45.100 0.082 0.000 0.767 132 G HN 0.529 8.819 8.290 -0.000 0.000 0.552 133 N N -0.142 118.586 118.700 0.046 0.000 2.216 133 N HA 0.068 4.792 4.740 -0.028 0.000 0.183 133 N C 2.149 177.658 175.510 -0.001 0.000 1.017 133 N CA 0.435 53.514 53.050 0.049 0.000 0.861 133 N CB -0.181 38.331 38.487 0.041 0.000 0.986 133 N HN 0.265 8.645 8.380 -0.000 0.000 0.428 134 L N -0.608 120.583 121.223 -0.052 0.000 2.291 134 L HA 0.050 4.373 4.340 -0.028 0.000 0.214 134 L C 1.729 178.536 176.870 -0.105 0.000 1.120 134 L CA 0.757 55.559 54.840 -0.063 0.000 0.799 134 L CB -0.035 41.986 42.059 -0.064 0.000 0.925 134 L HN 0.172 8.402 8.230 -0.000 0.000 0.446 135 A N -1.946 120.742 122.820 -0.220 0.000 2.167 135 A HA 0.149 4.453 4.320 -0.028 0.000 0.208 135 A C 1.148 178.566 177.584 -0.277 0.000 1.198 135 A CA 0.071 51.914 52.037 -0.323 0.000 0.863 135 A CB 0.037 18.715 19.000 -0.537 0.000 0.904 135 A HN 0.277 8.427 8.150 -0.000 0.000 0.484 136 F N -0.644 119.307 119.950 0.003 0.000 2.647 136 F HA 0.554 5.064 4.527 -0.028 0.000 0.300 136 F C -0.350 175.452 175.800 0.003 0.000 1.106 136 F CA -0.962 57.039 58.000 0.002 0.000 1.313 136 F CB 0.393 39.395 39.000 0.003 0.000 1.007 136 F HN -0.025 8.275 8.300 -0.000 0.000 0.536 137 L N 0.574 121.876 121.223 0.132 0.000 2.506 137 L HA 0.309 4.633 4.340 -0.028 0.000 0.257 137 L C -0.932 175.966 176.870 0.047 0.000 0.964 137 L CA -1.092 53.801 54.840 0.087 0.000 0.836 137 L CB 1.816 43.922 42.059 0.079 0.000 1.384 137 L HN 0.018 8.248 8.230 -0.000 0.000 0.410 138 D N 2.036 122.459 120.400 0.039 0.000 2.198 138 D HA 0.211 4.834 4.640 -0.028 0.000 0.245 138 D C 1.198 177.510 176.300 0.020 0.000 1.079 138 D CA -0.514 53.501 54.000 0.025 0.000 0.854 138 D CB 1.844 42.657 40.800 0.023 0.000 1.148 138 D HN 0.248 8.618 8.370 -0.000 0.000 0.456 139 V N 3.101 123.023 119.914 0.013 0.000 2.358 139 V HA -0.447 3.656 4.120 -0.028 0.000 0.253 139 V C 2.393 178.494 176.094 0.013 0.000 1.105 139 V CA 3.035 65.341 62.300 0.011 0.000 1.105 139 V CB -1.144 30.683 31.823 0.006 0.000 0.846 139 V HN 0.806 8.996 8.190 -0.000 0.000 0.464 140 T N -0.311 114.250 114.554 0.013 0.000 2.529 140 T HA -0.184 4.150 4.350 -0.028 0.000 0.261 140 T C 1.677 176.386 174.700 0.015 0.000 1.110 140 T CA 1.941 64.048 62.100 0.012 0.000 1.192 140 T CB -0.932 67.943 68.868 0.011 0.000 0.864 140 T HN 0.732 8.972 8.240 -0.000 0.000 0.407 141 G N 0.402 109.214 108.800 0.019 0.000 2.564 141 G HA2 -0.243 3.700 3.960 -0.028 0.000 0.217 141 G HA3 -0.243 3.700 3.960 -0.028 0.000 0.217 141 G C 1.562 176.477 174.900 0.025 0.000 1.120 141 G CA 0.596 45.710 45.100 0.022 0.000 0.752 141 G HN 0.409 8.699 8.290 -0.000 0.000 0.558 142 R N -0.918 119.596 120.500 0.023 0.000 2.175 142 R HA 0.283 4.606 4.340 -0.028 0.000 0.202 142 R C 2.312 178.624 176.300 0.021 0.000 1.018 142 R CA -0.007 56.107 56.100 0.024 0.000 1.029 142 R CB -0.009 30.303 30.300 0.020 0.000 0.959 142 R HN 0.407 8.677 8.270 -0.000 0.000 0.480 143 I N 0.351 120.931 120.570 0.017 0.000 2.353 143 I HA -0.148 4.005 4.170 -0.028 0.000 0.248 143 I C 2.416 178.542 176.117 0.015 0.000 1.119 143 I CA 0.970 62.279 61.300 0.016 0.000 1.417 143 I CB -0.164 37.843 38.000 0.012 0.000 1.078 143 I HN 0.142 8.352 8.210 -0.000 0.000 0.421 144 A N 0.271 123.099 122.820 0.014 0.000 1.877 144 A HA -0.229 4.074 4.320 -0.028 0.000 0.216 144 A C 2.295 179.888 177.584 0.015 0.000 1.186 144 A CA 1.379 53.423 52.037 0.012 0.000 0.620 144 A CB -0.502 18.505 19.000 0.012 0.000 0.822 144 A HN 0.335 8.485 8.150 -0.000 0.000 0.443 145 Q N -0.254 119.558 119.800 0.020 0.000 2.061 145 Q HA -0.153 4.171 4.340 -0.028 0.000 0.204 145 Q C 2.245 178.260 176.000 0.025 0.000 0.984 145 Q CA 2.301 58.118 55.803 0.024 0.000 0.846 145 Q CB -1.185 27.571 28.738 0.030 0.000 0.902 145 Q HN 0.767 9.037 8.270 -0.000 0.000 0.421 146 T N 0.926 115.496 114.554 0.027 0.000 2.962 146 T HA -0.013 4.321 4.350 -0.028 0.000 0.270 146 T C 2.040 176.757 174.700 0.027 0.000 1.088 146 T CA 0.551 62.672 62.100 0.035 0.000 1.127 146 T CB -0.086 68.806 68.868 0.040 0.000 0.883 146 T HN 0.127 8.367 8.240 -0.000 0.000 0.493 147 L N 0.142 121.375 121.223 0.016 0.000 2.095 147 L HA 0.078 4.401 4.340 -0.028 0.000 0.204 147 L C 2.537 179.408 176.870 0.002 0.000 1.080 147 L CA 0.865 55.709 54.840 0.005 0.000 0.759 147 L CB -0.485 41.574 42.059 -0.001 0.000 0.914 147 L HN 0.250 8.480 8.230 -0.000 0.000 0.439 148 L N -0.259 120.968 121.223 0.006 0.000 1.994 148 L HA -0.253 4.070 4.340 -0.028 0.000 0.208 148 L C 2.042 178.916 176.870 0.007 0.000 1.071 148 L CA 1.886 56.729 54.840 0.005 0.000 0.745 148 L CB -0.885 41.179 42.059 0.009 0.000 0.892 148 L HN 0.405 8.635 8.230 -0.000 0.000 0.431 149 N N -0.041 118.668 118.700 0.015 0.000 2.348 149 N HA -0.174 4.549 4.740 -0.028 0.000 0.185 149 N C 1.709 177.224 175.510 0.009 0.000 1.019 149 N CA 0.798 53.861 53.050 0.020 0.000 0.880 149 N CB -0.032 38.477 38.487 0.037 0.000 0.965 149 N HN 0.344 8.724 8.380 -0.000 0.000 0.437 150 L N -0.559 120.663 121.223 -0.002 0.000 2.477 150 L HA 0.224 4.547 4.340 -0.028 0.000 0.220 150 L C 2.122 178.969 176.870 -0.037 0.000 1.106 150 L CA -0.036 54.784 54.840 -0.035 0.000 0.851 150 L CB -0.090 41.944 42.059 -0.042 0.000 0.994 150 L HN 0.119 8.349 8.230 -0.000 0.000 0.462 151 A N -0.096 122.712 122.820 -0.021 0.000 2.167 151 A HA -0.055 4.249 4.320 -0.028 0.000 0.214 151 A C 1.853 179.428 177.584 -0.014 0.000 1.151 151 A CA 0.854 52.879 52.037 -0.019 0.000 0.735 151 A CB -0.016 18.976 19.000 -0.013 0.000 0.802 151 A HN 0.177 8.327 8.150 -0.000 0.000 0.467 152 K N 0.151 120.543 120.400 -0.012 0.000 3.554 152 K HA 0.238 4.541 4.320 -0.028 0.000 0.183 152 K C 0.100 176.690 176.600 -0.015 0.000 1.147 152 K CA 0.237 56.520 56.287 -0.007 0.000 1.595 152 K CB -0.280 32.221 32.500 0.001 0.000 2.206 152 K HN 0.387 8.637 8.250 -0.000 0.000 0.543 153 Q N 0.988 120.781 119.800 -0.012 0.000 3.322 153 Q HA -0.144 4.179 4.340 -0.028 0.000 0.397 153 Q C -2.338 173.640 176.000 -0.036 0.000 1.138 153 Q CA -0.076 55.715 55.803 -0.019 0.000 1.076 153 Q CB -1.335 27.394 28.738 -0.015 0.000 1.246 153 Q HN 0.146 8.416 8.270 -0.000 0.000 0.551 154 P HA -0.245 4.175 4.420 -0.000 0.000 0.283 154 P C 0.174 177.443 177.300 -0.052 0.000 1.402 154 P CA 1.681 64.761 63.100 -0.035 0.000 1.005 154 P CB 0.122 31.804 31.700 -0.030 0.000 0.788 155 D N -2.530 117.845 120.400 -0.043 0.000 2.495 155 D HA -0.230 4.393 4.640 -0.028 0.000 0.175 155 D C -0.036 176.238 176.300 -0.045 0.000 1.040 155 D CA 1.484 55.454 54.000 -0.050 0.000 1.049 155 D CB -1.979 38.773 40.800 -0.079 0.000 1.105 155 D HN 0.491 8.861 8.370 -0.000 0.000 0.457 156 A N 0.725 123.520 122.820 -0.041 0.000 2.906 156 A HA 0.505 4.808 4.320 -0.028 0.000 0.289 156 A C 0.748 178.327 177.584 -0.009 0.000 1.675 156 A CA -0.013 52.005 52.037 -0.031 0.000 1.372 156 A CB -0.629 18.352 19.000 -0.031 0.000 1.091 156 A HN 0.385 8.535 8.150 -0.000 0.000 0.579 157 M N 2.760 122.359 119.600 -0.002 0.000 2.336 157 M HA -0.009 4.455 4.480 -0.028 0.000 0.371 157 M C 1.315 177.638 176.300 0.039 0.000 1.542 157 M CA 0.490 55.800 55.300 0.016 0.000 0.959 157 M CB -0.018 32.594 32.600 0.020 0.000 2.033 157 M HN 0.783 9.073 8.290 -0.000 0.000 0.472 158 T N 0.783 115.361 114.554 0.039 0.000 2.906 158 T HA 0.087 4.421 4.350 -0.028 0.000 0.320 158 T C -0.347 174.418 174.700 0.108 0.000 1.088 158 T CA -0.361 61.775 62.100 0.060 0.000 1.120 158 T CB 0.732 69.622 68.868 0.036 0.000 1.000 158 T HN 0.773 9.013 8.240 -0.000 0.000 0.550 159 H N 1.584 120.652 119.070 -0.002 0.000 2.985 159 H HA 0.334 4.873 4.556 -0.028 0.000 0.360 159 H C -2.399 172.928 175.328 -0.001 0.000 1.221 159 H CA -1.800 54.247 56.048 -0.001 0.000 1.121 159 H CB 1.510 31.272 29.762 -0.000 0.000 1.854 159 H HN 0.369 8.649 8.280 -0.000 0.000 0.551 160 P HA -0.180 4.240 4.420 -0.000 0.000 0.217 160 P C -0.031 177.300 177.300 0.051 0.000 1.162 160 P CA 2.355 65.274 63.100 -0.302 0.000 0.901 160 P CB 0.061 31.469 31.700 -0.487 0.000 0.793 161 D N -2.591 118.025 120.400 0.360 0.000 2.643 161 D HA 0.464 5.087 4.640 -0.028 0.000 0.244 161 D C 0.730 177.126 176.300 0.160 0.000 1.257 161 D CA -0.345 53.785 54.000 0.216 0.000 0.831 161 D CB 0.189 41.088 40.800 0.165 0.000 1.043 161 D HN 0.257 8.627 8.370 -0.000 0.000 0.488 162 G N -0.485 108.429 108.800 0.190 0.000 2.332 162 G HA2 0.222 4.166 3.960 -0.028 0.000 0.265 162 G HA3 0.222 4.166 3.960 -0.028 0.000 0.265 162 G C -1.324 173.622 174.900 0.075 0.000 1.329 162 G CA -1.019 44.127 45.100 0.077 0.000 0.949 162 G HN 0.039 8.329 8.290 -0.000 0.000 0.476 163 M N 0.580 120.188 119.600 0.015 0.000 2.444 163 M HA 0.573 5.037 4.480 -0.028 0.000 0.319 163 M C 0.089 176.373 176.300 -0.026 0.000 1.183 163 M CA -0.500 54.807 55.300 0.013 0.000 1.032 163 M CB 1.241 33.842 32.600 0.001 0.000 1.569 163 M HN 0.721 9.011 8.290 -0.000 0.000 0.468 164 Q N 1.668 121.466 119.800 -0.004 0.000 2.337 164 Q HA 0.617 4.941 4.340 -0.028 0.000 0.266 164 Q C -1.526 174.460 176.000 -0.023 0.000 1.023 164 Q CA -0.574 55.216 55.803 -0.022 0.000 0.829 164 Q CB 1.868 30.624 28.738 0.030 0.000 1.306 164 Q HN 0.566 8.836 8.270 -0.000 0.000 0.449 165 I N 2.182 122.733 120.570 -0.032 0.000 3.100 165 I HA 0.515 4.669 4.170 -0.028 0.000 0.312 165 I C -0.355 175.745 176.117 -0.029 0.000 1.063 165 I CA -0.780 60.498 61.300 -0.036 0.000 1.031 165 I CB 1.761 39.738 38.000 -0.039 0.000 1.243 165 I HN 0.585 8.795 8.210 -0.000 0.000 0.483 166 K N 3.377 123.754 120.400 -0.039 0.000 2.723 166 K HA 0.560 4.863 4.320 -0.028 0.000 0.229 166 K C -1.728 174.852 176.600 -0.034 0.000 1.022 166 K CA -0.203 56.066 56.287 -0.031 0.000 1.045 166 K CB 1.400 33.882 32.500 -0.030 0.000 1.227 166 K HN 0.627 8.877 8.250 -0.000 0.000 0.516 167 I N 1.093 121.650 120.570 -0.022 0.000 2.841 167 I HA 0.308 4.461 4.170 -0.028 0.000 0.298 167 I C -0.496 175.619 176.117 -0.003 0.000 1.304 167 I CA -0.427 60.869 61.300 -0.007 0.000 1.019 167 I CB 2.309 40.308 38.000 -0.001 0.000 1.282 167 I HN 0.477 8.687 8.210 -0.000 0.000 0.432 168 T N 2.416 116.973 114.554 0.006 0.000 2.889 168 T HA 0.428 4.761 4.350 -0.028 0.000 0.291 168 T C 1.032 175.734 174.700 0.004 0.000 0.995 168 T CA -0.523 61.576 62.100 -0.002 0.000 1.092 168 T CB 1.579 70.445 68.868 -0.003 0.000 0.954 168 T HN 0.696 8.936 8.240 -0.000 0.000 0.506 169 R N 0.965 121.463 120.500 -0.003 0.000 2.091 169 R HA -0.180 4.143 4.340 -0.028 0.000 0.238 169 R C 2.569 178.870 176.300 0.001 0.000 1.136 169 R CA 1.860 57.960 56.100 0.000 0.000 0.959 169 R CB -0.380 29.917 30.300 -0.004 0.000 0.856 169 R HN 0.846 9.116 8.270 -0.000 0.000 0.437 170 Q N 0.863 120.661 119.800 -0.003 0.000 2.181 170 Q HA -0.257 4.066 4.340 -0.028 0.000 0.205 170 Q C 1.893 177.892 176.000 -0.002 0.000 0.980 170 Q CA 1.995 57.794 55.803 -0.006 0.000 0.862 170 Q CB 0.086 28.819 28.738 -0.010 0.000 0.905 170 Q HN 0.346 8.616 8.270 -0.000 0.000 0.429 171 E N 0.061 120.266 120.200 0.009 0.000 2.076 171 E HA -0.104 4.229 4.350 -0.028 0.000 0.190 171 E C 1.795 178.414 176.600 0.031 0.000 0.979 171 E CA 0.962 57.376 56.400 0.023 0.000 0.807 171 E CB -0.164 29.564 29.700 0.047 0.000 0.761 171 E HN 0.475 8.835 8.360 -0.000 0.000 0.454 172 I N 0.862 121.451 120.570 0.030 0.000 2.127 172 I HA -0.242 3.911 4.170 -0.028 0.000 0.241 172 I C 2.488 178.615 176.117 0.018 0.000 1.075 172 I CA 1.365 62.685 61.300 0.032 0.000 1.334 172 I CB -0.919 37.094 38.000 0.022 0.000 1.040 172 I HN 0.356 8.566 8.210 -0.000 0.000 0.405 173 G N 0.095 108.899 108.800 0.007 0.000 2.545 173 G HA2 -0.309 3.635 3.960 -0.028 0.000 0.222 173 G HA3 -0.309 3.635 3.960 -0.028 0.000 0.222 173 G C 1.563 176.459 174.900 -0.007 0.000 1.126 173 G CA 0.830 45.929 45.100 -0.001 0.000 0.754 173 G HN 0.474 8.764 8.290 -0.000 0.000 0.583 174 Q N -0.456 119.338 119.800 -0.011 0.000 2.083 174 Q HA 0.082 4.405 4.340 -0.028 0.000 0.198 174 Q C 2.722 178.706 176.000 -0.028 0.000 0.969 174 Q CA 0.777 56.564 55.803 -0.026 0.000 0.838 174 Q CB -0.119 28.596 28.738 -0.039 0.000 0.900 174 Q HN 0.550 8.820 8.270 -0.000 0.000 0.436 175 I N 0.219 120.781 120.570 -0.014 0.000 2.179 175 I HA -0.266 3.888 4.170 -0.028 0.000 0.242 175 I C 2.184 178.298 176.117 -0.004 0.000 1.088 175 I CA 0.901 62.194 61.300 -0.011 0.000 1.357 175 I CB -0.408 37.613 38.000 0.035 0.000 1.051 175 I HN 0.035 8.245 8.210 -0.000 0.000 0.409 176 V N 0.535 120.452 119.914 0.004 0.000 2.232 176 V HA -0.092 4.011 4.120 -0.028 0.000 0.237 176 V C 1.784 177.874 176.094 -0.007 0.000 1.035 176 V CA 2.061 64.363 62.300 0.003 0.000 0.988 176 V CB -1.152 30.675 31.823 0.006 0.000 0.636 176 V HN 0.678 8.868 8.190 -0.000 0.000 0.456 177 G N -1.791 107.004 108.800 -0.009 0.000 3.732 177 G HA2 -0.097 3.846 3.960 -0.028 0.000 0.220 177 G HA3 -0.097 3.846 3.960 -0.028 0.000 0.220 177 G C 0.174 175.067 174.900 -0.012 0.000 0.903 177 G CA 0.018 45.110 45.100 -0.014 0.000 0.896 177 G HN 0.789 9.079 8.290 -0.000 0.000 0.685 178 C N 1.081 120.376 119.300 -0.008 0.000 2.590 178 C HA 0.929 5.373 4.460 -0.028 0.000 0.354 178 C C 1.361 176.346 174.990 -0.009 0.000 1.622 178 C CA -0.036 58.978 59.018 -0.007 0.000 2.050 178 C CB 0.731 28.470 27.740 -0.003 0.000 1.960 178 C HN 1.080 9.310 8.230 -0.000 0.000 0.550 179 S N -0.551 115.144 115.700 -0.008 0.000 2.687 179 S HA 0.381 4.834 4.470 -0.028 0.000 0.283 179 S C 0.910 175.506 174.600 -0.007 0.000 1.170 179 S CA -0.533 57.661 58.200 -0.009 0.000 1.008 179 S CB 0.821 64.015 63.200 -0.009 0.000 1.026 179 S HN 0.883 9.193 8.310 -0.000 0.000 0.541 180 R N 1.352 121.847 120.500 -0.009 0.000 2.136 180 R HA -0.164 4.159 4.340 -0.028 0.000 0.242 180 R C 0.699 176.995 176.300 -0.006 0.000 1.131 180 R CA 2.092 58.187 56.100 -0.008 0.000 0.937 180 R CB -0.440 29.854 30.300 -0.010 0.000 0.863 180 R HN 0.916 9.186 8.270 -0.000 0.000 0.435 181 E N 0.209 120.406 120.200 -0.005 0.000 2.110 181 E HA 0.073 4.406 4.350 -0.028 0.000 0.300 181 E C -0.369 176.230 176.600 -0.002 0.000 1.278 181 E CA 0.170 56.568 56.400 -0.004 0.000 1.365 181 E CB 1.042 30.740 29.700 -0.004 0.000 1.283 181 E HN 0.274 8.634 8.360 -0.000 0.000 0.490 182 T N -0.981 113.572 114.554 -0.001 0.000 3.945 182 T HA -0.067 4.267 4.350 -0.028 0.000 0.307 182 T C 1.521 176.222 174.700 0.001 0.000 0.891 182 T CA 0.187 62.287 62.100 0.000 0.000 1.223 182 T CB -0.431 68.437 68.868 -0.000 0.000 1.008 182 T HN 0.124 8.364 8.240 -0.000 0.000 0.465 183 V N 2.065 121.980 119.914 0.001 0.000 2.233 183 V HA -0.202 3.901 4.120 -0.028 0.000 0.252 183 V C 2.760 178.855 176.094 0.002 0.000 1.063 183 V CA 2.867 65.169 62.300 0.002 0.000 1.032 183 V CB -1.152 30.672 31.823 0.002 0.000 0.645 183 V HN 0.710 8.900 8.190 -0.000 0.000 0.446 184 G N -1.141 107.659 108.800 0.001 0.000 2.443 184 G HA2 -0.266 3.677 3.960 -0.028 0.000 0.219 184 G HA3 -0.266 3.677 3.960 -0.028 0.000 0.219 184 G C 1.679 176.580 174.900 0.003 0.000 1.131 184 G CA 0.779 45.880 45.100 0.002 0.000 0.775 184 G HN 0.498 8.788 8.290 -0.000 0.000 0.547 185 R N -0.077 120.424 120.500 0.002 0.000 2.153 185 R HA 0.055 4.378 4.340 -0.028 0.000 0.218 185 R C 2.093 178.396 176.300 0.004 0.000 1.072 185 R CA 0.562 56.664 56.100 0.003 0.000 0.990 185 R CB -0.118 30.184 30.300 0.002 0.000 0.889 185 R HN 0.261 8.531 8.270 -0.000 0.000 0.452 186 I N 0.851 121.423 120.570 0.004 0.000 2.235 186 I HA -0.193 3.960 4.170 -0.028 0.000 0.241 186 I C 2.111 178.230 176.117 0.004 0.000 1.085 186 I CA 0.697 62.000 61.300 0.004 0.000 1.378 186 I CB -1.113 36.890 38.000 0.005 0.000 1.076 186 I HN 0.180 8.390 8.210 -0.000 0.000 0.415 187 L N 0.949 122.174 121.223 0.004 0.000 2.043 187 L HA -0.214 4.110 4.340 -0.028 0.000 0.212 187 L C 2.488 179.360 176.870 0.004 0.000 1.075 187 L CA 1.705 56.547 54.840 0.004 0.000 0.752 187 L CB -1.210 40.851 42.059 0.004 0.000 0.891 187 L HN 0.215 8.445 8.230 -0.000 0.000 0.432 188 K N -0.956 119.447 120.400 0.006 0.000 2.057 188 K HA -0.174 4.129 4.320 -0.028 0.000 0.207 188 K C 2.104 178.707 176.600 0.005 0.000 1.049 188 K CA 1.537 57.828 56.287 0.006 0.000 0.931 188 K CB -0.335 32.169 32.500 0.007 0.000 0.714 188 K HN 0.342 8.592 8.250 -0.000 0.000 0.440 189 M N 0.705 120.308 119.600 0.004 0.000 2.065 189 M HA -0.204 4.259 4.480 -0.028 0.000 0.259 189 M C 2.014 178.315 176.300 0.003 0.000 1.069 189 M CA 1.558 56.860 55.300 0.003 0.000 1.110 189 M CB -0.137 32.465 32.600 0.004 0.000 1.328 189 M HN 0.046 8.336 8.290 -0.000 0.000 0.405 190 L N 0.107 121.331 121.223 0.002 0.000 2.046 190 L HA -0.230 4.093 4.340 -0.028 0.000 0.208 190 L C 2.496 179.366 176.870 -0.001 0.000 1.077 190 L CA 1.702 56.542 54.840 0.000 0.000 0.747 190 L CB -0.846 41.213 42.059 -0.000 0.000 0.896 190 L HN 0.418 8.648 8.230 -0.000 0.000 0.432 191 E N 0.943 121.143 120.200 -0.000 0.000 2.021 191 E HA -0.320 4.013 4.350 -0.028 0.000 0.200 191 E C 1.720 178.320 176.600 -0.000 0.000 1.015 191 E CA 2.220 58.620 56.400 -0.000 0.000 0.824 191 E CB -0.340 29.363 29.700 0.004 0.000 0.762 191 E HN 0.380 8.740 8.360 -0.000 0.000 0.454 192 D N -0.492 119.909 120.400 0.002 0.000 2.133 192 D HA -0.230 4.393 4.640 -0.028 0.000 0.192 192 D C 2.067 178.368 176.300 0.001 0.000 1.001 192 D CA 1.761 55.762 54.000 0.002 0.000 0.844 192 D CB -0.219 40.582 40.800 0.003 0.000 0.944 192 D HN 0.338 8.708 8.370 -0.000 0.000 0.447 193 Q N -0.977 118.824 119.800 0.001 0.000 2.170 193 Q HA -0.129 4.195 4.340 -0.028 0.000 0.203 193 Q C 0.213 176.212 176.000 -0.000 0.000 0.976 193 Q CA 1.251 57.054 55.803 0.001 0.000 0.858 193 Q CB 0.106 28.845 28.738 0.001 0.000 0.907 193 Q HN 0.309 8.579 8.270 -0.000 0.000 0.433 194 N N -2.660 116.039 118.700 -0.002 0.000 3.057 194 N HA -0.129 4.594 4.740 -0.028 0.000 0.246 194 N C -0.329 175.178 175.510 -0.005 0.000 1.093 194 N CA 0.125 53.173 53.050 -0.003 0.000 0.818 194 N CB -1.100 37.387 38.487 -0.000 0.000 1.115 194 N HN 0.076 8.456 8.380 -0.000 0.000 0.545 195 L N 0.050 121.269 121.223 -0.006 0.000 2.249 195 L HA 0.374 4.697 4.340 -0.028 0.000 0.207 195 L C 1.444 178.304 176.870 -0.017 0.000 1.090 195 L CA 1.329 56.164 54.840 -0.008 0.000 0.802 195 L CB -0.427 41.629 42.059 -0.005 0.000 0.947 195 L HN 0.508 8.738 8.230 -0.000 0.000 0.453 196 I N -6.469 114.089 120.570 -0.020 0.000 4.499 196 I HA 0.603 4.756 4.170 -0.028 0.000 0.204 196 I C -0.149 175.944 176.117 -0.039 0.000 0.872 196 I CA -0.717 60.562 61.300 -0.035 0.000 1.678 196 I CB 1.521 39.503 38.000 -0.030 0.000 1.189 196 I HN -0.219 7.991 8.210 -0.000 0.000 0.376 197 S N -0.368 115.309 115.700 -0.038 0.000 2.580 197 S HA 0.771 5.224 4.470 -0.028 0.000 0.281 197 S C -1.791 172.805 174.600 -0.008 0.000 1.129 197 S CA 0.011 58.194 58.200 -0.030 0.000 0.862 197 S CB 1.694 64.856 63.200 -0.062 0.000 1.090 197 S HN 1.149 9.459 8.310 -0.000 0.000 0.451 198 A N 2.157 124.990 122.820 0.022 0.000 2.515 198 A HA 0.870 5.173 4.320 -0.028 0.000 0.298 198 A C -0.973 176.698 177.584 0.147 0.000 1.059 198 A CA -0.294 51.776 52.037 0.055 0.000 0.698 198 A CB 1.444 20.466 19.000 0.036 0.000 1.289 198 A HN 1.514 9.664 8.150 -0.000 0.000 0.404 199 H N 0.408 119.473 119.070 -0.009 0.000 6.194 199 H HA 0.356 4.895 4.556 -0.028 0.000 0.884 199 H C 0.877 176.203 175.328 -0.004 0.000 1.977 199 H CA 0.641 56.686 56.048 -0.004 0.000 1.419 199 H CB -0.433 29.329 29.762 -0.001 0.000 4.597 199 H HN 2.230 10.510 8.280 -0.000 0.000 0.690 200 G N 2.465 111.183 108.800 -0.137 0.000 2.366 200 G HA2 -0.364 3.580 3.960 -0.028 0.000 0.263 200 G HA3 -0.364 3.580 3.960 -0.028 0.000 0.263 200 G C 0.273 175.135 174.900 -0.064 0.000 0.986 200 G CA 1.193 46.213 45.100 -0.134 0.000 0.632 200 G HN 0.795 9.085 8.290 -0.000 0.000 0.555 201 K N 0.505 120.893 120.400 -0.019 0.000 2.613 201 K HA 0.557 4.860 4.320 -0.028 0.000 0.248 201 K C -0.811 175.805 176.600 0.027 0.000 0.959 201 K CA 0.018 56.311 56.287 0.011 0.000 0.855 201 K CB 1.402 33.922 32.500 0.034 0.000 1.143 201 K HN 0.432 8.682 8.250 -0.000 0.000 0.437 202 T N 3.393 117.947 114.554 -0.000 0.000 2.867 202 T HA 0.541 4.874 4.350 -0.028 0.000 0.282 202 T C -0.110 174.560 174.700 -0.050 0.000 1.000 202 T CA -0.828 61.264 62.100 -0.014 0.000 1.042 202 T CB 0.454 69.314 68.868 -0.013 0.000 0.973 202 T HN 0.498 8.738 8.240 -0.000 0.000 0.465 203 I N 5.425 125.942 120.570 -0.089 0.000 2.355 203 I HA 0.251 4.405 4.170 -0.028 0.000 0.288 203 I C 0.525 176.561 176.117 -0.135 0.000 0.999 203 I CA -0.960 60.236 61.300 -0.173 0.000 1.163 203 I CB 1.337 39.114 38.000 -0.371 0.000 1.316 203 I HN 0.482 8.692 8.210 -0.000 0.000 0.454 204 V N 7.306 127.161 119.914 -0.099 0.000 3.102 204 V HA -0.013 4.091 4.120 -0.028 0.000 0.371 204 V C 1.221 177.280 176.094 -0.057 0.000 1.414 204 V CA -0.084 62.179 62.300 -0.062 0.000 1.565 204 V CB -0.856 30.944 31.823 -0.038 0.000 1.273 204 V HN 0.571 8.761 8.190 -0.000 0.000 0.478 205 V N 0.000 119.867 119.914 -0.078 0.000 2.409 205 V HA 0.000 4.103 4.120 -0.028 0.000 0.244 205 V CA 0.000 62.270 62.300 -0.051 0.000 1.235 205 V CB 0.000 31.799 31.823 -0.040 0.000 1.184 205 V HN 0.000 8.190 8.190 -0.000 0.000 0.556