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 1yho_1_A DATA FIRST_RESID 1 DATA SEQUENCE VGSLNCIVAV SQNMGIGKNG DLPWPPLRNE FRYFQRMTTT SSVEGKQNLV DATA SEQUENCE IMGKKTWFSI PEKNRPLKGR INLVLSRELK EPPQGAHFLS RSLDDALKLT DATA SEQUENCE EQPELANKVD MVWIVGGSSV YKEAMNHPGH LKLFVTRIMQ DFESDTFFPE DATA SEQUENCE IDLEKYKLLP EYPGVLSDVQ EEKGIKYKFE VYEKND VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 V HA 0.000 4.111 4.120 -0.015 0.000 0.244 1 V C 0.000 176.074 176.094 -0.033 0.000 1.182 1 V CA 0.000 62.289 62.300 -0.019 0.000 1.235 1 V CB 0.000 31.813 31.823 -0.017 0.000 1.184 2 G N 5.006 113.782 108.800 -0.040 0.000 2.225 2 G HA2 -0.370 3.554 3.960 -0.061 0.000 0.267 2 G HA3 -0.370 3.559 3.960 -0.052 0.000 0.267 2 G C -0.825 174.030 174.900 -0.075 0.000 1.024 2 G CA 1.079 46.145 45.100 -0.056 0.000 0.784 2 G HN 0.382 8.651 8.290 -0.034 0.000 0.507 3 S N -0.049 115.606 115.700 -0.074 0.000 2.489 3 S HA 0.238 4.657 4.470 -0.086 0.000 0.291 3 S C -1.758 172.753 174.600 -0.149 0.000 1.151 3 S CA -0.178 57.965 58.200 -0.095 0.000 1.082 3 S CB 1.504 64.658 63.200 -0.076 0.000 1.019 3 S HN -0.655 7.589 8.310 -0.060 0.031 0.492 4 L N 5.401 126.515 121.223 -0.181 0.000 2.333 4 L HA 0.296 4.497 4.340 -0.232 0.000 0.280 4 L C -1.985 174.707 176.870 -0.296 0.000 1.004 4 L CA -0.446 54.255 54.840 -0.231 0.000 0.820 4 L CB 2.737 44.659 42.059 -0.229 0.000 1.247 4 L HN 0.624 8.765 8.230 -0.148 0.000 0.416 5 N N 4.125 122.544 118.700 -0.469 0.000 2.399 5 N HA 0.425 5.051 4.740 -0.378 -0.113 0.280 5 N C -1.621 173.662 175.510 -0.378 0.000 1.008 5 N CA -0.214 52.461 53.050 -0.625 0.000 0.894 5 N CB 2.907 40.471 38.487 -1.538 0.000 1.273 5 N HN 0.459 8.553 8.380 -0.476 0.000 0.486 6 C N 2.249 121.491 119.300 -0.097 0.000 2.341 6 C HA 0.247 4.745 4.460 0.063 0.000 0.338 6 C C -1.545 173.702 174.990 0.428 0.000 1.257 6 C CA -1.061 58.023 59.018 0.109 0.000 1.883 6 C CB 1.830 29.554 27.740 -0.027 0.000 2.334 6 C HN 1.095 9.174 8.230 -0.040 0.127 0.524 7 I N 7.198 128.117 120.570 0.582 0.000 2.529 7 I HA 0.447 5.147 4.170 0.639 -0.146 0.284 7 I C -2.825 173.663 176.117 0.618 0.000 1.088 7 I CA -0.919 60.742 61.300 0.601 0.000 1.062 7 I CB 1.760 40.028 38.000 0.448 0.000 1.218 7 I HN 0.213 8.786 8.210 0.605 0.000 0.442 8 V N 1.233 121.412 119.914 0.443 0.000 3.120 8 V HA 0.485 4.782 4.120 0.295 0.000 0.303 8 V C -2.573 173.570 176.094 0.081 0.000 1.238 8 V CA -2.059 60.368 62.300 0.211 0.000 1.008 8 V CB 4.093 35.858 31.823 -0.097 0.000 1.064 8 V HN 0.777 9.227 8.190 0.432 0.000 0.434 9 A N 1.643 124.503 122.820 0.067 0.000 2.320 9 A HA 0.236 4.600 4.320 -0.068 -0.084 0.334 9 A C -1.763 175.836 177.584 0.024 0.000 1.147 9 A CA -1.207 50.859 52.037 0.050 0.000 0.820 9 A CB 1.488 20.645 19.000 0.261 0.000 1.218 9 A HN 0.142 8.345 8.150 0.089 0.000 0.482 10 V N -5.390 114.501 119.914 -0.038 0.000 3.012 10 V HA 0.970 5.305 4.120 0.063 -0.178 0.307 10 V C -1.036 175.065 176.094 0.010 0.000 1.166 10 V CA -2.821 59.463 62.300 -0.028 0.000 0.974 10 V CB 3.846 35.538 31.823 -0.219 0.000 1.040 10 V HN 1.008 9.022 8.190 -0.101 0.115 0.428 11 S N 1.976 117.743 115.700 0.111 0.000 2.624 11 S HA 0.121 4.618 4.470 0.045 0.000 0.263 11 S C 0.932 175.581 174.600 0.082 0.000 1.287 11 S CA -0.498 57.773 58.200 0.119 0.000 0.990 11 S CB 1.544 64.888 63.200 0.239 0.000 0.950 11 S HN 0.808 9.079 8.310 0.149 0.128 0.561 12 Q N 0.195 120.044 119.800 0.082 0.000 2.297 12 Q HA -0.285 4.079 4.340 0.039 0.000 0.208 12 Q C 0.050 176.101 176.000 0.084 0.000 0.981 12 Q CA 2.591 58.431 55.803 0.063 0.000 0.876 12 Q CB -0.140 28.630 28.738 0.053 0.000 0.921 12 Q HN 0.096 8.426 8.270 0.100 0.000 0.446 13 N N -3.243 115.533 118.700 0.126 0.000 2.295 13 N HA -0.014 4.798 4.740 0.119 0.000 0.221 13 N C -0.651 174.992 175.510 0.221 0.000 1.129 13 N CA -0.577 52.568 53.050 0.157 0.000 0.836 13 N CB 0.088 38.684 38.487 0.182 0.000 1.040 13 N HN -0.128 8.294 8.380 0.146 0.045 0.494 14 M N -4.444 115.262 119.600 0.177 0.000 2.537 14 M HA -0.471 4.095 4.480 0.142 0.000 0.205 14 M C -1.681 174.797 176.300 0.297 0.000 0.450 14 M CA 1.114 56.547 55.300 0.221 0.000 0.553 14 M CB -3.047 29.696 32.600 0.239 0.000 2.046 14 M HN -0.163 8.026 8.290 0.124 0.176 0.797 15 G N -3.266 105.651 108.800 0.196 0.000 2.410 15 G HA2 0.681 4.672 3.960 0.052 0.000 0.330 15 G HA3 0.681 4.696 3.960 0.091 0.000 0.330 15 G C -1.033 173.919 174.900 0.086 0.000 1.142 15 G CA -1.299 43.867 45.100 0.108 0.000 0.902 15 G HN -0.519 7.861 8.290 0.173 0.013 0.491 16 I N -4.909 115.673 120.570 0.020 0.000 3.565 16 I HA 0.740 4.931 4.170 0.036 0.000 0.287 16 I C -0.547 175.520 176.117 -0.083 0.000 1.193 16 I CA -1.167 60.134 61.300 0.001 0.000 1.402 16 I CB 2.631 40.639 38.000 0.014 0.000 1.284 16 I HN -0.454 7.732 8.210 -0.040 0.000 0.454 17 G N -2.655 106.079 108.800 -0.110 0.000 2.355 17 G HA2 0.074 3.941 3.960 -0.192 0.000 0.296 17 G HA3 0.074 3.948 3.960 -0.177 -0.020 0.296 17 G C -3.574 171.245 174.900 -0.136 0.000 1.507 17 G CA 0.422 45.427 45.100 -0.158 0.000 0.823 17 G HN -0.910 7.317 8.290 -0.105 0.000 0.569 18 K N 0.438 120.760 120.400 -0.130 0.000 2.426 18 K HA 0.407 4.662 4.320 -0.108 0.000 0.254 18 K C -0.198 176.350 176.600 -0.088 0.000 0.936 18 K CA -1.507 54.718 56.287 -0.102 0.000 0.801 18 K CB 2.978 35.430 32.500 -0.080 0.000 1.139 18 K HN 0.544 8.611 8.250 -0.151 0.092 0.424 19 N N 3.879 122.536 118.700 -0.073 0.000 2.741 19 N HA -0.324 4.385 4.740 -0.051 0.000 0.250 19 N C -0.421 175.054 175.510 -0.058 0.000 1.115 19 N CA 0.680 53.696 53.050 -0.058 0.000 0.724 19 N CB -0.221 38.236 38.487 -0.050 0.000 1.090 19 N HN 1.024 9.359 8.380 -0.074 0.000 0.558 20 G N -4.457 104.303 108.800 -0.067 0.000 2.137 20 G HA2 -0.377 3.549 3.960 -0.057 0.000 0.237 20 G HA3 -0.377 3.560 3.960 -0.039 0.000 0.237 20 G C -1.737 173.109 174.900 -0.090 0.000 1.002 20 G CA 0.313 45.376 45.100 -0.061 0.000 0.702 20 G HN 0.352 8.571 8.290 -0.074 0.027 0.515 21 D N -0.837 119.488 120.400 -0.126 0.000 2.671 21 D HA 0.348 4.883 4.640 -0.176 0.000 0.232 21 D C -0.951 175.187 176.300 -0.270 0.000 1.114 21 D CA -0.955 52.938 54.000 -0.178 0.000 0.858 21 D CB 3.236 43.946 40.800 -0.149 0.000 1.544 21 D HN -0.578 7.563 8.370 -0.119 0.157 0.471 22 L N 1.479 122.451 121.223 -0.418 0.000 2.456 22 L HA 0.146 4.272 4.340 -0.615 -0.155 0.272 22 L C -0.669 175.817 176.870 -0.641 0.000 1.189 22 L CA -0.728 53.682 54.840 -0.716 0.000 0.846 22 L CB -0.870 40.448 42.059 -1.235 0.000 1.111 22 L HN 0.343 8.342 8.230 -0.384 0.000 0.475 23 P HA -0.133 4.183 4.420 -0.173 0.000 0.216 23 P C -1.172 175.753 177.300 -0.625 0.000 1.150 23 P CA 0.947 63.864 63.100 -0.306 0.000 0.837 23 P CB 0.644 32.346 31.700 0.003 0.000 0.786 24 W N -5.879 114.957 121.300 -0.773 0.000 2.512 24 W HA 0.386 4.296 4.660 -1.250 0.000 0.335 24 W C -3.071 173.225 176.519 -0.371 0.000 1.088 24 W CA -4.142 52.687 57.345 -0.861 0.000 1.236 24 W CB -0.750 28.256 29.460 -0.757 0.000 1.307 24 W HN -0.804 6.877 8.180 -0.803 0.017 0.567 25 P HA 0.052 4.379 4.420 -0.155 0.000 0.271 25 P C -1.998 175.259 177.300 -0.072 0.000 1.233 25 P CA -0.904 62.136 63.100 -0.101 0.000 0.795 25 P CB -0.320 31.379 31.700 -0.003 0.000 0.936 26 P HA -0.117 4.280 4.420 -0.037 0.000 0.260 26 P C -1.532 175.768 177.300 -0.000 0.000 1.185 26 P CA 0.627 63.654 63.100 -0.123 0.000 0.763 26 P CB 0.126 31.644 31.700 -0.304 0.000 0.776 27 L N 5.288 126.642 121.223 0.218 0.000 2.265 27 L HA 0.227 4.657 4.340 0.150 0.000 0.289 27 L C 0.895 177.918 176.870 0.255 0.000 1.033 27 L CA -1.359 53.629 54.840 0.247 0.000 0.814 27 L CB 1.205 43.442 42.059 0.296 0.000 1.203 27 L HN 0.268 8.749 8.230 0.419 0.000 0.423 28 R N 5.565 126.140 120.500 0.126 0.000 2.096 28 R HA -0.452 3.933 4.340 0.074 0.000 0.235 28 R C 1.850 178.287 176.300 0.228 0.000 1.127 28 R CA 4.073 60.247 56.100 0.123 0.000 0.968 28 R CB -0.107 30.232 30.300 0.065 0.000 0.861 28 R HN 0.635 8.957 8.270 0.086 0.000 0.440 29 N N -1.074 117.773 118.700 0.245 0.000 2.171 29 N HA -0.175 4.718 4.740 0.256 0.000 0.184 29 N C 1.808 177.561 175.510 0.405 0.000 1.021 29 N CA 3.186 56.412 53.050 0.294 0.000 0.854 29 N CB -0.554 38.111 38.487 0.297 0.000 0.994 29 N HN 0.133 8.625 8.380 0.212 0.015 0.426 30 E N -0.334 120.116 120.200 0.417 0.000 2.106 30 E HA -0.231 4.493 4.350 0.624 0.000 0.192 30 E C 2.313 179.189 176.600 0.460 0.000 0.984 30 E CA 2.857 59.544 56.400 0.479 0.000 0.806 30 E CB -0.528 29.371 29.700 0.331 0.000 0.750 30 E HN 0.228 8.789 8.360 0.335 0.000 0.458 31 F N -0.100 119.994 119.950 0.239 0.000 2.128 31 F HA -0.282 4.335 4.527 0.151 0.000 0.295 31 F C 2.402 178.325 175.800 0.205 0.000 1.100 31 F CA 4.515 62.618 58.000 0.172 0.000 1.260 31 F CB 0.042 39.089 39.000 0.078 0.000 1.009 31 F HN 0.273 8.838 8.300 0.634 0.116 0.476 32 R N -1.220 119.507 120.500 0.378 0.000 2.075 32 R HA -0.395 4.072 4.340 0.211 0.000 0.232 32 R C 2.136 178.573 176.300 0.228 0.000 1.126 32 R CA 3.721 59.972 56.100 0.253 0.000 0.963 32 R CB -0.140 30.282 30.300 0.204 0.000 0.858 32 R HN -0.268 8.240 8.270 0.397 0.000 0.435 33 Y N 1.046 121.443 120.300 0.161 0.000 2.181 33 Y HA -0.397 4.153 4.550 0.001 0.000 0.288 33 Y C 1.828 177.754 175.900 0.043 0.000 1.146 33 Y CA 3.756 61.898 58.100 0.069 0.000 1.164 33 Y CB -0.061 38.448 38.460 0.081 0.000 0.982 33 Y HN 0.131 8.573 8.280 0.452 0.109 0.515 34 F N -0.416 119.596 119.950 0.102 0.000 2.102 34 F HA -0.533 3.975 4.527 -0.032 0.000 0.298 34 F C 1.720 177.423 175.800 -0.162 0.000 1.105 34 F CA 4.378 62.368 58.000 -0.018 0.000 1.239 34 F CB 0.144 39.160 39.000 0.025 0.000 0.991 34 F HN -0.355 8.251 8.300 0.510 0.000 0.474 35 Q N -1.231 118.681 119.800 0.186 0.000 2.016 35 Q HA -0.407 3.982 4.340 0.080 0.000 0.200 35 Q C 2.635 178.556 176.000 -0.132 0.000 0.978 35 Q CA 3.731 59.566 55.803 0.053 0.000 0.833 35 Q CB -0.107 28.691 28.738 0.101 0.000 0.895 35 Q HN -0.350 8.082 8.270 0.269 0.000 0.427 36 R N -0.251 120.171 120.500 -0.130 0.000 2.096 36 R HA -0.281 3.973 4.340 -0.144 0.000 0.235 36 R C 1.990 178.084 176.300 -0.343 0.000 1.127 36 R CA 2.724 58.709 56.100 -0.191 0.000 0.968 36 R CB -0.184 30.032 30.300 -0.139 0.000 0.861 36 R HN 0.285 8.415 8.270 -0.051 0.110 0.440 37 M N -0.922 118.364 119.600 -0.522 0.000 2.067 37 M HA -0.228 3.894 4.480 -0.596 0.000 0.260 37 M C 1.773 177.645 176.300 -0.714 0.000 1.069 37 M CA 3.589 58.483 55.300 -0.678 0.000 1.117 37 M CB -0.034 32.028 32.600 -0.895 0.000 1.334 37 M HN 0.279 8.145 8.290 -0.505 0.121 0.407 38 T N -1.111 112.927 114.554 -0.861 0.000 2.746 38 T HA -0.242 3.110 4.350 -1.663 0.000 0.267 38 T C 1.519 175.842 174.700 -0.629 0.000 1.039 38 T CA 3.554 65.010 62.100 -1.073 0.000 1.142 38 T CB 0.020 68.307 68.868 -0.967 0.000 0.866 38 T HN -0.289 7.478 8.240 -0.788 0.000 0.444 39 T N 2.453 116.769 114.554 -0.396 0.000 2.833 39 T HA -0.286 3.938 4.350 -0.210 0.000 0.269 39 T C 0.402 174.980 174.700 -0.204 0.000 1.054 39 T CA 3.540 65.497 62.100 -0.238 0.000 1.135 39 T CB 0.030 68.803 68.868 -0.159 0.000 0.869 39 T HN -0.074 7.831 8.240 -0.383 0.106 0.466 40 T N 5.507 119.918 114.554 -0.240 0.000 3.121 40 T HA -0.156 4.123 4.350 -0.119 0.000 0.256 40 T C -0.739 173.889 174.700 -0.120 0.000 0.942 40 T CA 0.768 62.770 62.100 -0.164 0.000 1.158 40 T CB -1.111 67.652 68.868 -0.174 0.000 0.963 40 T HN -0.484 7.441 8.240 -0.314 0.127 0.660 41 S N 5.889 121.543 115.700 -0.076 0.000 2.565 41 S HA 0.080 4.550 4.470 -0.001 0.000 0.274 41 S C 0.416 175.021 174.600 0.008 0.000 1.309 41 S CA 0.721 58.909 58.200 -0.020 0.000 1.043 41 S CB 1.131 64.322 63.200 -0.014 0.000 0.939 41 S HN -0.272 7.975 8.310 -0.078 0.016 0.504 42 S N 3.729 119.455 115.700 0.043 0.000 2.425 42 S HA -0.053 4.436 4.470 0.032 0.000 0.225 42 S C -1.009 173.608 174.600 0.029 0.000 1.024 42 S CA 1.988 60.214 58.200 0.042 0.000 0.951 42 S CB 0.554 63.795 63.200 0.067 0.000 0.796 42 S HN 0.498 8.850 8.310 0.069 0.000 0.498 43 V N 2.210 122.142 119.914 0.030 0.000 2.435 43 V HA 0.108 4.238 4.120 0.018 0.000 0.290 43 V C -1.452 174.651 176.094 0.015 0.000 1.030 43 V CA -1.074 61.239 62.300 0.021 0.000 0.881 43 V CB 1.214 33.052 31.823 0.024 0.000 0.983 43 V HN -0.546 7.668 8.190 0.039 0.000 0.445 44 E N 7.489 127.695 120.200 0.010 0.000 2.301 44 E HA 0.039 4.392 4.350 0.005 0.000 0.275 44 E C 0.571 177.176 176.600 0.009 0.000 1.030 44 E CA 0.301 56.705 56.400 0.007 0.000 0.852 44 E CB 0.378 30.081 29.700 0.004 0.000 1.060 44 E HN 0.330 8.695 8.360 0.010 0.000 0.401 45 G N 3.192 111.998 108.800 0.009 0.000 2.141 45 G HA2 -0.361 3.605 3.960 0.011 0.000 0.242 45 G HA3 -0.361 3.605 3.960 0.010 0.000 0.242 45 G C -0.997 173.911 174.900 0.014 0.000 0.982 45 G CA -0.045 45.062 45.100 0.011 0.000 0.662 45 G HN 0.451 8.745 8.290 0.007 0.000 0.527 46 K N -1.365 119.044 120.400 0.015 0.000 2.443 46 K HA 0.336 4.669 4.320 0.021 0.000 0.251 46 K C -1.905 174.707 176.600 0.021 0.000 0.972 46 K CA -1.080 55.219 56.287 0.020 0.000 0.833 46 K CB 2.270 34.784 32.500 0.023 0.000 1.317 46 K HN -0.506 7.711 8.250 0.013 0.041 0.441 47 Q N 0.981 120.797 119.800 0.027 0.000 2.348 47 Q HA 0.203 4.553 4.340 0.016 0.000 0.271 47 Q C -1.756 174.266 176.000 0.037 0.000 1.067 47 Q CA -0.811 55.008 55.803 0.026 0.000 0.839 47 Q CB 3.356 32.114 28.738 0.033 0.000 1.354 47 Q HN 0.058 8.345 8.270 0.028 0.000 0.447 48 N N 2.549 121.267 118.700 0.031 0.000 2.456 48 N HA 0.277 5.083 4.740 0.111 0.000 0.288 48 N C -1.710 173.842 175.510 0.069 0.000 1.059 48 N CA -0.257 52.837 53.050 0.073 0.000 0.946 48 N CB 1.891 40.400 38.487 0.037 0.000 1.150 48 N HN 0.501 8.885 8.380 0.006 0.000 0.479 49 L N 3.803 125.092 121.223 0.110 0.000 2.276 49 L HA 0.376 4.748 4.340 0.053 0.000 0.286 49 L C -1.733 175.220 176.870 0.138 0.000 1.024 49 L CA -1.563 53.329 54.840 0.086 0.000 0.826 49 L CB 0.863 42.953 42.059 0.052 0.000 1.211 49 L HN -0.054 8.263 8.230 0.145 0.000 0.422 50 V N 2.243 122.232 119.914 0.126 0.000 2.732 50 V HA 0.910 5.374 4.120 0.237 -0.202 0.310 50 V C -1.218 174.969 176.094 0.155 0.000 1.053 50 V CA -2.724 59.685 62.300 0.181 0.000 0.957 50 V CB 2.298 34.236 31.823 0.191 0.000 1.018 50 V HN 0.473 8.709 8.190 0.077 0.000 0.452 51 I N 1.739 122.414 120.570 0.176 0.000 2.498 51 I HA 0.553 4.991 4.170 0.132 -0.189 0.290 51 I C -1.155 175.074 176.117 0.188 0.000 1.032 51 I CA -1.168 60.223 61.300 0.152 0.000 1.073 51 I CB 2.665 40.734 38.000 0.117 0.000 1.251 51 I HN -0.071 8.264 8.210 0.209 0.000 0.426 52 M N 4.541 124.252 119.600 0.185 0.000 2.591 52 M HA 0.662 5.465 4.480 0.219 -0.192 0.306 52 M C -0.653 175.761 176.300 0.190 0.000 1.190 52 M CA -1.694 53.736 55.300 0.218 0.000 0.889 52 M CB 5.092 37.865 32.600 0.287 0.000 1.728 52 M HN 0.997 9.269 8.290 0.156 0.111 0.458 53 G N -1.361 107.554 108.800 0.191 0.000 2.580 53 G HA2 0.190 4.229 3.960 0.132 0.000 0.278 53 G HA3 0.190 4.237 3.960 0.144 0.000 0.278 53 G C -0.314 174.715 174.900 0.216 0.000 1.212 53 G CA -1.211 43.987 45.100 0.164 0.000 0.939 53 G HN -0.152 8.255 8.290 0.195 0.000 0.513 54 K N 2.091 122.597 120.400 0.177 0.000 2.032 54 K HA -0.417 4.114 4.320 0.352 0.000 0.209 54 K C 1.857 178.639 176.600 0.303 0.000 1.048 54 K CA 3.827 60.260 56.287 0.243 0.000 0.927 54 K CB -0.173 32.380 32.500 0.088 0.000 0.712 54 K HN 0.504 8.826 8.250 0.120 0.000 0.441 55 K N -2.423 118.072 120.400 0.158 0.000 2.026 55 K HA -0.220 4.157 4.320 0.095 0.000 0.208 55 K C 2.173 178.882 176.600 0.182 0.000 1.048 55 K CA 3.614 59.976 56.287 0.125 0.000 0.929 55 K CB -1.098 31.433 32.500 0.051 0.000 0.713 55 K HN 0.372 8.688 8.250 0.111 0.000 0.439 56 T N 1.421 116.083 114.554 0.180 0.000 2.684 56 T HA -0.364 4.031 4.350 0.075 0.000 0.267 56 T C 1.259 176.083 174.700 0.207 0.000 1.036 56 T CA 4.875 67.066 62.100 0.151 0.000 1.148 56 T CB -0.269 68.689 68.868 0.150 0.000 0.863 56 T HN -0.179 8.164 8.240 0.172 0.000 0.436 57 W N 2.842 124.219 121.300 0.128 0.000 2.332 57 W HA -0.403 4.286 4.660 0.050 0.000 0.321 57 W C 1.289 177.853 176.519 0.074 0.000 1.219 57 W CA 3.454 60.858 57.345 0.099 0.000 1.277 57 W CB 0.064 29.602 29.460 0.129 0.000 1.161 57 W HN 0.209 8.678 8.180 0.482 0.000 0.476 58 F N -6.266 113.766 119.950 0.135 0.000 2.408 58 F HA -0.307 4.186 4.527 -0.056 0.000 0.300 58 F C 1.709 177.467 175.800 -0.071 0.000 1.090 58 F CA 3.254 61.261 58.000 0.010 0.000 1.427 58 F CB -0.378 38.673 39.000 0.086 0.000 1.070 58 F HN -0.251 8.562 8.300 0.855 0.000 0.549 59 S N -2.082 113.678 115.700 0.099 0.000 2.425 59 S HA -0.078 4.405 4.470 0.021 0.000 0.225 59 S C 0.397 174.953 174.600 -0.073 0.000 1.024 59 S CA 1.737 59.943 58.200 0.010 0.000 0.951 59 S CB 0.911 64.114 63.200 0.006 0.000 0.796 59 S HN -0.545 7.686 8.310 0.156 0.172 0.498 60 I N 3.226 123.708 120.570 -0.148 0.000 2.471 60 I HA 0.094 4.195 4.170 -0.116 0.000 0.286 60 I C -1.653 174.310 176.117 -0.257 0.000 1.079 60 I CA -2.056 59.123 61.300 -0.201 0.000 1.398 60 I CB -0.042 37.792 38.000 -0.276 0.000 1.403 60 I HN -0.613 7.399 8.210 -0.147 0.110 0.530 61 P HA 0.129 4.451 4.420 -0.162 0.000 0.271 61 P C 0.349 177.527 177.300 -0.203 0.000 1.216 61 P CA -0.682 62.320 63.100 -0.163 0.000 0.776 61 P CB 1.051 32.687 31.700 -0.106 0.000 0.881 62 E N 1.883 121.966 120.200 -0.195 0.000 2.204 62 E HA -0.301 3.898 4.350 -0.251 0.000 0.195 62 E C 0.572 177.098 176.600 -0.124 0.000 0.990 62 E CA 2.172 58.461 56.400 -0.184 0.000 0.821 62 E CB -0.206 29.407 29.700 -0.144 0.000 0.750 62 E HN 0.463 8.720 8.360 -0.172 0.000 0.477 63 K N -3.334 117.007 120.400 -0.099 0.000 2.218 63 K HA -0.227 4.057 4.320 -0.059 0.000 0.205 63 K C 0.595 177.161 176.600 -0.057 0.000 1.046 63 K CA 1.779 58.025 56.287 -0.068 0.000 0.933 63 K CB -0.455 32.007 32.500 -0.063 0.000 0.728 63 K HN -0.015 8.138 8.250 -0.105 0.035 0.454 64 N N -4.621 114.036 118.700 -0.070 0.000 2.432 64 N HA 0.014 4.742 4.740 -0.020 0.000 0.174 64 N C -0.672 174.806 175.510 -0.054 0.000 1.037 64 N CA 1.192 54.215 53.050 -0.044 0.000 0.892 64 N CB 2.213 40.684 38.487 -0.026 0.000 1.049 64 N HN -0.438 7.746 8.380 -0.098 0.137 0.442 65 R N 0.714 121.141 120.500 -0.123 0.000 2.390 65 R HA 0.167 4.565 4.340 -0.058 -0.094 0.291 65 R C -2.391 173.884 176.300 -0.042 0.000 1.070 65 R CA -1.707 54.315 56.100 -0.129 0.000 1.014 65 R CB -0.214 29.855 30.300 -0.385 0.000 1.007 65 R HN -0.826 7.258 8.270 -0.163 0.089 0.466 66 P HA 0.018 4.571 4.420 0.223 0.000 0.275 66 P C -1.127 176.262 177.300 0.148 0.000 1.227 66 P CA -0.960 62.242 63.100 0.170 0.000 0.781 66 P CB 0.860 32.682 31.700 0.203 0.000 0.906 67 L N 2.922 124.246 121.223 0.169 0.000 2.515 67 L HA -0.006 4.502 4.340 0.069 -0.127 0.281 67 L C 0.657 177.593 176.870 0.110 0.000 1.131 67 L CA -0.459 54.444 54.840 0.105 0.000 0.905 67 L CB -1.688 40.425 42.059 0.089 0.000 1.246 67 L HN 0.295 8.661 8.230 0.227 0.000 0.463 68 K N 5.888 126.340 120.400 0.086 0.000 2.276 68 K HA -0.122 4.267 4.320 0.114 0.000 0.259 68 K C 1.127 177.752 176.600 0.041 0.000 1.001 68 K CA 1.592 57.925 56.287 0.077 0.000 0.927 68 K CB 0.455 32.989 32.500 0.057 0.000 0.969 68 K HN -0.063 8.229 8.250 0.070 0.000 0.490 69 G N 0.487 109.307 108.800 0.033 0.000 2.284 69 G HA2 -0.358 3.605 3.960 0.004 0.000 0.230 69 G HA3 -0.358 3.596 3.960 -0.010 0.000 0.230 69 G C -1.496 173.395 174.900 -0.015 0.000 1.021 69 G CA 0.053 45.154 45.100 0.003 0.000 0.619 69 G HN 0.440 8.761 8.290 0.052 0.000 0.510 70 R N -2.040 118.448 120.500 -0.020 0.000 2.707 70 R HA 0.415 4.733 4.340 -0.037 0.000 0.272 70 R C -1.672 174.545 176.300 -0.139 0.000 1.011 70 R CA -1.421 54.649 56.100 -0.051 0.000 0.893 70 R CB 2.903 33.169 30.300 -0.056 0.000 1.233 70 R HN -0.928 7.242 8.270 -0.001 0.099 0.464 71 I N 0.157 120.625 120.570 -0.171 0.000 2.416 71 I HA -0.050 3.528 4.170 -0.987 0.000 0.288 71 I C -0.914 175.011 176.117 -0.319 0.000 1.051 71 I CA -2.586 58.461 61.300 -0.422 0.000 1.375 71 I CB -0.842 37.097 38.000 -0.101 0.000 1.407 71 I HN 0.016 8.182 8.210 -0.074 0.000 0.516 72 N N 7.199 125.585 118.700 -0.522 0.000 2.434 72 N HA 0.206 4.988 4.740 0.069 0.000 0.272 72 N C -1.884 173.681 175.510 0.091 0.000 1.040 72 N CA -0.496 52.561 53.050 0.013 0.000 0.956 72 N CB 1.418 40.108 38.487 0.338 0.000 1.108 72 N HN -0.145 7.314 8.380 -1.536 0.000 0.481 73 L N 5.204 126.484 121.223 0.095 0.000 2.356 73 L HA 0.617 5.163 4.340 0.074 -0.161 0.277 73 L C -2.442 174.434 176.870 0.009 0.000 0.996 73 L CA -1.196 53.686 54.840 0.070 0.000 0.822 73 L CB 3.720 45.839 42.059 0.100 0.000 1.256 73 L HN 0.153 8.455 8.230 0.119 0.000 0.413 74 V N 5.619 125.471 119.914 -0.104 0.000 2.483 74 V HA 0.765 5.097 4.120 -0.034 -0.232 0.295 74 V C -1.197 174.873 176.094 -0.039 0.000 1.035 74 V CA -2.801 59.422 62.300 -0.128 0.000 0.896 74 V CB 1.641 33.222 31.823 -0.403 0.000 0.986 74 V HN 0.391 8.508 8.190 -0.123 0.000 0.447 75 L N 6.982 128.214 121.223 0.014 0.000 2.264 75 L HA 0.405 4.917 4.340 0.020 -0.160 0.287 75 L C -1.414 175.471 176.870 0.026 0.000 1.039 75 L CA -0.909 53.948 54.840 0.028 0.000 0.829 75 L CB 0.813 42.901 42.059 0.050 0.000 1.211 75 L HN -0.077 8.178 8.230 0.042 0.000 0.427 76 S N 1.802 117.510 115.700 0.014 0.000 2.571 76 S HA 0.299 4.782 4.470 0.021 0.000 0.284 76 S C -0.638 173.969 174.600 0.012 0.000 1.128 76 S CA -1.429 56.780 58.200 0.016 0.000 0.970 76 S CB 2.437 65.645 63.200 0.014 0.000 1.039 76 S HN -0.146 8.169 8.310 0.009 0.000 0.485 77 R N 6.127 126.633 120.500 0.011 0.000 2.254 77 R HA 0.028 4.373 4.340 0.009 0.000 0.193 77 R C 0.761 177.065 176.300 0.006 0.000 0.929 77 R CA 1.418 57.523 56.100 0.008 0.000 1.038 77 R CB 0.689 30.993 30.300 0.006 0.000 1.009 77 R HN 0.513 8.789 8.270 0.011 0.000 0.512 78 E N -2.616 117.587 120.200 0.005 0.000 2.140 78 E HA -0.149 4.202 4.350 0.003 0.000 0.191 78 E C 0.510 177.115 176.600 0.009 0.000 0.973 78 E CA 0.343 56.745 56.400 0.004 0.000 0.829 78 E CB 0.362 30.060 29.700 -0.002 0.000 0.781 78 E HN -0.036 8.328 8.360 0.005 0.000 0.466 79 L N 1.055 122.286 121.223 0.013 0.000 2.426 79 L HA -0.067 4.286 4.340 0.021 0.000 0.271 79 L C -0.240 176.638 176.870 0.012 0.000 1.169 79 L CA 0.032 54.882 54.840 0.018 0.000 0.836 79 L CB 0.578 42.652 42.059 0.026 0.000 1.112 79 L HN -0.642 7.596 8.230 0.013 0.000 0.465 80 K N 1.489 121.896 120.400 0.012 0.000 2.202 80 K HA -0.071 4.256 4.320 0.010 0.000 0.201 80 K C 0.281 176.886 176.600 0.008 0.000 1.051 80 K CA 0.943 57.236 56.287 0.010 0.000 0.977 80 K CB 0.521 33.027 32.500 0.010 0.000 0.792 80 K HN 0.216 8.475 8.250 0.015 0.000 0.469 81 E N -0.449 119.753 120.200 0.004 0.000 2.227 81 E HA 0.322 4.671 4.350 -0.002 0.000 0.268 81 E C -2.644 173.943 176.600 -0.022 0.000 0.907 81 E CA -3.141 53.255 56.400 -0.006 0.000 0.786 81 E CB 1.124 30.820 29.700 -0.007 0.000 1.191 81 E HN -0.544 7.821 8.360 0.007 0.000 0.411 82 P HA 0.035 4.394 4.420 -0.102 0.000 0.266 82 P C -2.126 175.112 177.300 -0.103 0.000 1.193 82 P CA -0.862 62.182 63.100 -0.093 0.000 0.770 82 P CB -0.249 31.381 31.700 -0.115 0.000 0.836 83 P HA -0.024 4.384 4.420 -0.020 0.000 0.274 83 P C -0.714 176.552 177.300 -0.057 0.000 1.231 83 P CA -0.696 62.342 63.100 -0.105 0.000 0.790 83 P CB 1.045 32.620 31.700 -0.209 0.000 0.951 84 Q N 1.150 120.972 119.800 0.037 0.000 2.263 84 Q HA -0.308 4.038 4.340 0.009 0.000 0.289 84 Q C 1.280 177.392 176.000 0.187 0.000 1.061 84 Q CA 2.001 57.839 55.803 0.059 0.000 0.927 84 Q CB 0.269 29.031 28.738 0.041 0.000 1.154 84 Q HN 0.381 8.677 8.270 0.044 0.000 0.378 85 G N 2.180 111.061 108.800 0.134 0.000 2.254 85 G HA2 -0.354 3.667 3.960 0.102 0.000 0.225 85 G HA3 -0.354 3.836 3.960 0.383 0.000 0.225 85 G C -1.515 173.588 174.900 0.338 0.000 1.003 85 G CA -0.384 44.868 45.100 0.253 0.000 0.622 85 G HN 0.487 8.795 8.290 0.029 0.000 0.507 86 A N 0.799 123.682 122.820 0.105 0.000 2.332 86 A HA -0.167 4.157 4.320 0.007 0.000 0.258 86 A C -0.994 176.515 177.584 -0.126 0.000 1.087 86 A CA -0.137 51.784 52.037 -0.193 0.000 0.802 86 A CB 0.836 19.417 19.000 -0.699 0.000 1.042 86 A HN -0.608 7.482 8.150 0.046 0.087 0.489 87 H N -0.170 118.815 119.070 -0.142 0.000 2.399 87 H HA 0.100 4.486 4.556 -0.284 0.000 0.300 87 H C 0.269 175.262 175.328 -0.557 0.000 1.048 87 H CA 2.665 58.574 56.048 -0.232 0.000 1.370 87 H CB 1.135 30.903 29.762 0.010 0.000 1.428 87 H HN 0.070 8.543 8.280 0.321 0.000 0.534 88 F N -5.071 114.912 119.950 0.055 0.000 2.668 88 F HA 0.094 4.615 4.527 -0.010 0.000 0.309 88 F C -2.417 173.348 175.800 -0.059 0.000 1.117 88 F CA -0.678 57.321 58.000 -0.002 0.000 0.951 88 F CB 4.269 43.283 39.000 0.024 0.000 1.323 88 F HN -0.705 7.688 8.300 0.155 0.000 0.451 89 L N -0.293 121.031 121.223 0.167 0.000 2.370 89 L HA 0.910 5.456 4.340 0.007 -0.202 0.266 89 L C -1.161 175.749 176.870 0.066 0.000 1.002 89 L CA -1.158 53.713 54.840 0.051 0.000 0.818 89 L CB 4.056 46.112 42.059 -0.005 0.000 1.325 89 L HN 0.184 8.567 8.230 0.255 0.000 0.418 90 S N 2.019 117.740 115.700 0.035 0.000 2.538 90 S HA 0.314 4.803 4.470 0.032 0.000 0.288 90 S C -0.512 174.101 174.600 0.021 0.000 1.108 90 S CA -0.758 57.460 58.200 0.030 0.000 0.971 90 S CB 2.750 65.967 63.200 0.028 0.000 1.041 90 S HN 0.206 8.527 8.310 0.019 0.000 0.483 91 R N 4.500 125.011 120.500 0.018 0.000 2.066 91 R HA -0.033 4.542 4.340 0.014 -0.227 0.232 91 R C -0.686 175.622 176.300 0.014 0.000 1.131 91 R CA 2.251 58.360 56.100 0.014 0.000 0.955 91 R CB 0.456 30.763 30.300 0.012 0.000 0.851 91 R HN 0.674 8.955 8.270 0.019 0.000 0.432 92 S N -7.619 108.090 115.700 0.015 0.000 2.704 92 S HA 0.080 4.559 4.470 0.015 0.000 0.296 92 S C -1.108 173.505 174.600 0.020 0.000 1.138 92 S CA -1.586 56.623 58.200 0.014 0.000 0.875 92 S CB 2.707 65.912 63.200 0.008 0.000 1.151 92 S HN -0.807 7.512 8.310 0.014 0.000 0.500 93 L N 1.010 122.245 121.223 0.021 0.000 2.046 93 L HA -0.309 4.056 4.340 0.042 0.000 0.208 93 L C 1.236 178.132 176.870 0.043 0.000 1.077 93 L CA 4.483 59.344 54.840 0.035 0.000 0.747 93 L CB 0.028 42.103 42.059 0.027 0.000 0.896 93 L HN 0.106 8.520 8.230 0.013 -0.176 0.432 94 D N -2.078 118.341 120.400 0.032 0.000 2.178 94 D HA -0.333 4.349 4.640 0.069 0.000 0.201 94 D C 1.831 178.146 176.300 0.025 0.000 0.980 94 D CA 4.009 58.033 54.000 0.039 0.000 0.842 94 D CB -0.436 40.378 40.800 0.023 0.000 0.948 94 D HN 0.261 8.642 8.370 0.017 0.000 0.472 95 D N 0.092 120.501 120.400 0.016 0.000 2.097 95 D HA -0.189 4.454 4.640 0.004 0.000 0.197 95 D C 1.576 177.876 176.300 0.001 0.000 0.984 95 D CA 3.367 57.371 54.000 0.007 0.000 0.826 95 D CB 0.126 40.931 40.800 0.008 0.000 0.973 95 D HN -0.676 7.593 8.370 0.017 0.111 0.460 96 A N -0.219 122.606 122.820 0.008 0.000 1.930 96 A HA -0.159 4.152 4.320 -0.015 0.000 0.217 96 A C 2.247 179.827 177.584 -0.007 0.000 1.175 96 A CA 2.973 55.011 52.037 0.001 0.000 0.627 96 A CB -0.274 18.738 19.000 0.020 0.000 0.815 96 A HN -0.406 7.754 8.150 0.017 0.000 0.443 97 L N -2.883 118.346 121.223 0.010 0.000 2.072 97 L HA -0.223 4.110 4.340 -0.011 0.000 0.205 97 L C 2.719 179.581 176.870 -0.013 0.000 1.079 97 L CA 2.328 57.170 54.840 0.002 0.000 0.752 97 L CB -0.286 41.794 42.059 0.035 0.000 0.906 97 L HN 0.266 8.512 8.230 0.026 0.000 0.436 98 K N -1.037 119.360 120.400 -0.005 0.000 2.057 98 K HA -0.260 4.052 4.320 -0.012 0.000 0.207 98 K C 2.788 179.370 176.600 -0.029 0.000 1.049 98 K CA 2.802 59.082 56.287 -0.013 0.000 0.931 98 K CB -0.211 32.286 32.500 -0.005 0.000 0.714 98 K HN -0.107 8.036 8.250 0.006 0.110 0.440 99 L N -1.914 119.285 121.223 -0.040 0.000 2.017 99 L HA -0.342 3.963 4.340 -0.059 0.000 0.208 99 L C 1.514 178.336 176.870 -0.081 0.000 1.073 99 L CA 3.200 58.000 54.840 -0.067 0.000 0.745 99 L CB 0.115 42.119 42.059 -0.091 0.000 0.894 99 L HN -0.059 8.151 8.230 -0.032 0.000 0.432 100 T N -4.882 109.627 114.554 -0.075 0.000 2.962 100 T HA -0.405 3.890 4.350 -0.092 0.000 0.270 100 T C 1.690 176.359 174.700 -0.052 0.000 1.088 100 T CA 3.199 65.256 62.100 -0.070 0.000 1.127 100 T CB -0.046 68.790 68.868 -0.053 0.000 0.883 100 T HN -0.482 7.720 8.240 -0.063 0.000 0.493 101 E N -0.754 119.419 120.200 -0.045 0.000 2.318 101 E HA -0.077 4.250 4.350 -0.038 0.000 0.193 101 E C 0.174 176.754 176.600 -0.034 0.000 0.998 101 E CA 0.521 56.898 56.400 -0.038 0.000 0.859 101 E CB 0.162 29.841 29.700 -0.035 0.000 0.812 101 E HN -0.642 7.541 8.360 -0.044 0.151 0.492 102 Q N -0.738 119.040 119.800 -0.037 0.000 2.364 102 Q HA 0.074 4.399 4.340 -0.026 0.000 0.267 102 Q C -0.809 175.172 176.000 -0.031 0.000 0.999 102 Q CA -0.720 55.064 55.803 -0.032 0.000 0.886 102 Q CB -0.050 28.667 28.738 -0.035 0.000 1.243 102 Q HN -0.762 7.336 8.270 -0.043 0.146 0.415 103 P HA -0.269 4.140 4.420 -0.018 0.000 0.218 103 P C 1.268 178.555 177.300 -0.021 0.000 1.146 103 P CA 2.969 66.058 63.100 -0.019 0.000 0.813 103 P CB 0.067 31.759 31.700 -0.014 0.000 0.778 104 E N -3.889 116.296 120.200 -0.025 0.000 2.118 104 E HA -0.262 4.078 4.350 -0.018 0.000 0.195 104 E C 1.046 177.624 176.600 -0.037 0.000 0.992 104 E CA 2.682 59.066 56.400 -0.027 0.000 0.804 104 E CB -0.487 29.195 29.700 -0.030 0.000 0.741 104 E HN 0.333 8.646 8.360 -0.026 0.031 0.458 105 L N -3.246 117.946 121.223 -0.053 0.000 2.470 105 L HA 0.123 4.424 4.340 -0.065 0.000 0.219 105 L C 1.282 178.126 176.870 -0.043 0.000 1.071 105 L CA 0.937 55.737 54.840 -0.067 0.000 0.850 105 L CB 1.010 43.001 42.059 -0.113 0.000 1.040 105 L HN -0.558 7.536 8.230 -0.052 0.106 0.475 106 A N 0.715 123.515 122.820 -0.034 0.000 2.024 106 A HA -0.345 4.065 4.320 -0.024 -0.105 0.220 106 A C 1.163 178.739 177.584 -0.013 0.000 1.164 106 A CA 3.004 55.027 52.037 -0.023 0.000 0.643 106 A CB -0.723 18.264 19.000 -0.022 0.000 0.806 106 A HN 0.776 8.722 8.150 -0.037 0.182 0.451 107 N N -5.122 113.571 118.700 -0.012 0.000 2.270 107 N HA -0.234 4.505 4.740 -0.002 0.000 0.181 107 N C 1.955 177.466 175.510 0.002 0.000 1.016 107 N CA 2.714 55.762 53.050 -0.003 0.000 0.870 107 N CB 0.137 38.623 38.487 -0.002 0.000 0.979 107 N HN -0.529 7.802 8.380 -0.016 0.039 0.431 108 K N -1.190 119.210 120.400 0.000 0.000 2.276 108 K HA 0.065 4.396 4.320 0.017 0.000 0.198 108 K C -0.218 176.389 176.600 0.012 0.000 1.052 108 K CA 0.559 56.853 56.287 0.011 0.000 0.984 108 K CB 1.042 33.552 32.500 0.017 0.000 0.836 108 K HN -0.242 7.861 8.250 -0.009 0.141 0.490 109 V N -2.814 117.101 119.914 0.000 0.000 2.630 109 V HA 0.285 4.570 4.120 0.020 -0.153 0.305 109 V C -0.804 175.294 176.094 0.008 0.000 1.046 109 V CA -0.379 61.925 62.300 0.007 0.000 0.934 109 V CB 1.751 33.570 31.823 -0.007 0.000 1.003 109 V HN 0.032 8.102 8.190 -0.011 0.113 0.451 110 D N 2.994 123.408 120.400 0.022 0.000 2.932 110 D HA 0.244 4.888 4.640 0.006 0.000 0.294 110 D C -0.606 175.706 176.300 0.019 0.000 1.119 110 D CA 1.023 55.034 54.000 0.019 0.000 0.980 110 D CB 3.325 44.142 40.800 0.028 0.000 1.361 110 D HN -0.109 8.283 8.370 0.036 0.000 0.466 111 M N -1.832 117.799 119.600 0.051 0.000 2.602 111 M HA 0.339 4.812 4.480 -0.013 0.000 0.312 111 M C -1.815 174.533 176.300 0.079 0.000 1.181 111 M CA -0.275 55.050 55.300 0.042 0.000 0.910 111 M CB 5.039 37.688 32.600 0.082 0.000 1.723 111 M HN -0.371 7.964 8.290 0.075 0.000 0.459 112 V N -0.491 119.412 119.914 -0.018 0.000 2.715 112 V HA 0.745 5.154 4.120 0.139 -0.206 0.310 112 V C -1.217 174.833 176.094 -0.074 0.000 1.054 112 V CA -1.856 60.461 62.300 0.028 0.000 0.928 112 V CB 2.703 34.514 31.823 -0.019 0.000 1.007 112 V HN 0.309 8.433 8.190 -0.109 0.000 0.437 113 W N 4.018 125.318 121.300 -0.001 0.000 2.715 113 W HA 0.548 5.438 4.660 -0.001 -0.231 0.331 113 W C -0.948 175.609 176.519 0.064 0.000 1.031 113 W CA -1.496 55.855 57.345 0.009 0.000 1.237 113 W CB 3.045 32.489 29.460 -0.027 0.000 1.378 113 W HN 0.664 9.025 8.180 0.301 0.000 0.454 114 I N 4.109 124.817 120.570 0.230 0.000 2.337 114 I HA -0.013 4.286 4.170 0.215 0.000 0.291 114 I C -0.622 175.749 176.117 0.423 0.000 1.046 114 I CA 0.401 61.840 61.300 0.232 0.000 1.324 114 I CB -0.238 37.770 38.000 0.014 0.000 1.409 114 I HN 1.195 9.361 8.210 0.112 0.111 0.494 115 V N 5.990 126.151 119.914 0.413 0.000 2.933 115 V HA 0.325 4.797 4.120 0.588 0.000 0.374 115 V C -0.101 176.192 176.094 0.332 0.000 1.321 115 V CA -2.280 60.290 62.300 0.450 0.000 1.290 115 V CB -0.627 31.437 31.823 0.402 0.000 1.346 115 V HN -0.129 8.259 8.190 0.331 0.000 0.560 116 G N -0.467 108.588 108.800 0.426 0.000 2.712 116 G HA2 -0.281 3.918 3.960 0.399 0.000 0.683 116 G HA3 -0.281 3.800 3.960 0.202 0.000 0.683 116 G C -0.754 174.307 174.900 0.268 0.000 1.320 116 G CA -0.678 44.617 45.100 0.325 0.000 0.847 116 G HN -0.666 7.902 8.290 0.588 0.074 0.553 117 G N -2.869 106.057 108.800 0.208 0.000 2.695 117 G HA2 0.217 4.256 3.960 0.133 0.000 0.213 117 G HA3 0.217 4.242 3.960 0.109 0.000 0.213 117 G C 0.354 175.369 174.900 0.191 0.000 1.406 117 G CA -1.151 44.044 45.100 0.159 0.000 1.049 117 G HN -0.026 8.371 8.290 0.179 0.000 0.573 118 S N 0.417 116.176 115.700 0.099 0.000 2.382 118 S HA -0.249 4.265 4.470 0.072 0.000 0.228 118 S C 1.962 176.627 174.600 0.108 0.000 1.027 118 S CA 2.929 61.176 58.200 0.079 0.000 0.991 118 S CB -0.190 63.020 63.200 0.018 0.000 0.823 118 S HN 0.137 8.485 8.310 0.064 0.000 0.469 119 S N 1.010 116.763 115.700 0.089 0.000 2.359 119 S HA -0.288 4.206 4.470 0.041 0.000 0.224 119 S C 1.594 176.250 174.600 0.093 0.000 1.035 119 S CA 3.146 61.387 58.200 0.068 0.000 1.018 119 S CB -0.712 62.520 63.200 0.053 0.000 0.876 119 S HN 0.046 8.391 8.310 0.080 0.014 0.448 120 V N 1.495 121.496 119.914 0.145 0.000 2.407 120 V HA -0.377 3.793 4.120 0.084 0.000 0.248 120 V C 1.957 178.132 176.094 0.136 0.000 1.055 120 V CA 4.268 66.651 62.300 0.138 0.000 1.049 120 V CB -0.319 31.607 31.823 0.172 0.000 0.662 120 V HN -0.502 7.787 8.190 0.165 0.000 0.455 121 Y N 0.085 120.421 120.300 0.060 0.000 2.200 121 Y HA -0.331 4.276 4.550 0.095 0.000 0.290 121 Y C 2.393 178.284 175.900 -0.014 0.000 1.137 121 Y CA 3.812 61.946 58.100 0.057 0.000 1.163 121 Y CB -0.459 38.053 38.460 0.086 0.000 0.988 121 Y HN -0.451 8.018 8.280 0.449 0.081 0.518 122 K N -1.035 119.425 120.400 0.101 0.000 2.032 122 K HA -0.487 3.815 4.320 -0.030 0.000 0.209 122 K C 2.035 178.616 176.600 -0.033 0.000 1.048 122 K CA 3.906 60.192 56.287 -0.001 0.000 0.927 122 K CB -0.205 32.284 32.500 -0.018 0.000 0.712 122 K HN 0.251 8.581 8.250 0.133 0.000 0.441 123 E N -1.773 118.406 120.200 -0.034 0.000 2.072 123 E HA -0.278 4.013 4.350 -0.098 0.000 0.191 123 E C 2.538 179.013 176.600 -0.208 0.000 0.985 123 E CA 2.890 59.233 56.400 -0.095 0.000 0.801 123 E CB 0.059 29.720 29.700 -0.064 0.000 0.750 123 E HN -0.697 7.664 8.360 0.002 0.000 0.452 124 A N -0.482 122.249 122.820 -0.149 0.000 2.014 124 A HA -0.131 3.814 4.320 -0.626 0.000 0.218 124 A C 2.144 179.693 177.584 -0.059 0.000 1.163 124 A CA 2.672 54.617 52.037 -0.153 0.000 0.652 124 A CB -0.637 18.399 19.000 0.060 0.000 0.808 124 A HN -0.063 8.050 8.150 -0.062 0.000 0.449 125 M N -5.041 114.542 119.600 -0.028 0.000 2.346 125 M HA -0.281 4.272 4.480 0.121 0.000 0.263 125 M C 0.255 176.568 176.300 0.023 0.000 1.064 125 M CA 2.829 58.153 55.300 0.039 0.000 1.083 125 M CB 0.126 32.730 32.600 0.007 0.000 1.399 125 M HN 0.046 8.091 8.290 -0.036 0.223 0.435 126 N N -3.450 115.202 118.700 -0.080 0.000 2.322 126 N HA 0.090 4.821 4.740 -0.015 0.000 0.216 126 N C -0.688 174.773 175.510 -0.080 0.000 1.144 126 N CA 0.037 53.043 53.050 -0.074 0.000 0.830 126 N CB 0.211 38.637 38.487 -0.101 0.000 1.034 126 N HN -0.759 7.375 8.380 -0.151 0.156 0.484 127 H N 1.723 120.794 119.070 0.000 0.000 2.690 127 H HA 0.113 4.660 4.556 -0.015 0.000 0.314 127 H C -0.370 174.945 175.328 -0.022 0.000 1.069 127 H CA -1.268 54.771 56.048 -0.016 0.000 1.436 127 H CB 1.340 31.084 29.762 -0.030 0.000 1.462 127 H HN -0.368 7.758 8.280 0.040 0.178 0.511 128 P HA -0.050 4.390 4.420 0.034 0.000 0.219 128 P C -0.111 177.205 177.300 0.026 0.000 1.154 128 P CA 0.604 63.735 63.100 0.052 0.000 0.826 128 P CB 0.559 32.285 31.700 0.044 0.000 0.795 129 G N -1.113 107.702 108.800 0.025 0.000 2.683 129 G HA2 -0.212 3.897 3.960 0.013 0.000 0.260 129 G HA3 -0.212 3.735 3.960 -0.021 0.000 0.260 129 G C -1.344 173.548 174.900 -0.013 0.000 1.238 129 G CA -0.643 44.457 45.100 0.000 0.000 0.934 129 G HN -0.408 7.913 8.290 0.050 0.000 0.534 130 H N -0.168 118.851 119.070 -0.085 0.000 2.803 130 H HA -0.081 4.526 4.556 -0.114 -0.119 0.330 130 H C -0.944 174.313 175.328 -0.118 0.000 1.057 130 H CA 1.107 57.094 56.048 -0.101 0.000 1.458 130 H CB 1.029 30.740 29.762 -0.085 0.000 1.470 130 H HN -0.219 8.215 8.280 0.104 -0.092 0.560 131 L N 5.363 126.306 121.223 -0.467 0.000 2.472 131 L HA 0.492 4.741 4.340 -0.151 0.000 0.260 131 L C -2.650 174.043 176.870 -0.295 0.000 0.963 131 L CA -0.642 54.039 54.840 -0.264 0.000 0.829 131 L CB 3.917 45.884 42.059 -0.154 0.000 1.348 131 L HN -0.278 7.470 8.230 -0.803 0.000 0.408 132 K N 2.626 122.946 120.400 -0.133 0.000 2.138 132 K HA 0.468 4.840 4.320 -0.083 -0.102 0.263 132 K C -1.581 175.072 176.600 0.088 0.000 0.965 132 K CA -1.077 55.185 56.287 -0.042 0.000 0.868 132 K CB 2.308 34.809 32.500 -0.000 0.000 1.083 132 K HN 0.125 8.300 8.250 -0.127 0.000 0.443 133 L N 2.641 123.974 121.223 0.183 0.000 2.441 133 L HA 0.253 4.928 4.340 0.351 -0.124 0.270 133 L C -2.533 174.525 176.870 0.313 0.000 0.973 133 L CA -0.496 54.538 54.840 0.324 0.000 0.842 133 L CB 3.882 46.166 42.059 0.374 0.000 1.239 133 L HN 1.005 9.198 8.230 0.108 0.102 0.406 134 F N 6.106 126.226 119.950 0.284 0.000 2.361 134 F HA 0.346 5.170 4.527 0.306 -0.113 0.364 134 F C -1.240 174.714 175.800 0.257 0.000 1.120 134 F CA -1.199 56.985 58.000 0.306 0.000 1.102 134 F CB 1.437 40.650 39.000 0.355 0.000 1.183 134 F HN 1.171 9.745 8.300 0.686 0.138 0.476 135 V N 6.839 126.935 119.914 0.304 0.000 2.384 135 V HA 0.734 5.060 4.120 -0.009 -0.211 0.287 135 V C -0.287 175.811 176.094 0.006 0.000 1.020 135 V CA -1.784 60.562 62.300 0.076 0.000 0.850 135 V CB 1.356 33.147 31.823 -0.053 0.000 0.987 135 V HN 0.387 8.782 8.190 0.341 0.000 0.436 136 T N 10.579 125.039 114.554 -0.158 0.000 2.743 136 T HA 0.349 4.618 4.350 -0.331 -0.117 0.292 136 T C -0.799 173.776 174.700 -0.208 0.000 0.972 136 T CA -0.451 61.448 62.100 -0.336 0.000 0.967 136 T CB 0.482 68.941 68.868 -0.681 0.000 0.926 136 T HN 0.289 8.445 8.240 -0.140 0.000 0.459 137 R N 7.737 128.156 120.500 -0.136 0.000 2.202 137 R HA 0.510 4.971 4.340 -0.096 -0.178 0.334 137 R C -1.140 175.101 176.300 -0.097 0.000 1.036 137 R CA -1.377 54.668 56.100 -0.091 0.000 0.878 137 R CB 0.614 30.893 30.300 -0.034 0.000 1.067 137 R HN 0.331 8.532 8.270 -0.115 0.000 0.457 138 I N 5.740 126.227 120.570 -0.137 0.000 2.301 138 I HA 0.140 4.237 4.170 -0.121 0.000 0.292 138 I C -0.607 175.490 176.117 -0.034 0.000 1.046 138 I CA -2.455 58.744 61.300 -0.169 0.000 1.282 138 I CB -1.127 36.606 38.000 -0.445 0.000 1.409 138 I HN 0.601 8.737 8.210 -0.124 0.000 0.484 139 M N 10.039 129.639 119.600 -0.001 0.000 3.268 139 M HA -0.150 4.342 4.480 0.020 0.000 0.249 139 M C -2.107 174.221 176.300 0.045 0.000 1.527 139 M CA 0.030 55.343 55.300 0.021 0.000 1.645 139 M CB -1.468 31.141 32.600 0.015 0.000 1.193 139 M HN 0.067 8.361 8.290 0.007 0.000 0.534 140 Q N 0.431 120.275 119.800 0.074 0.000 2.574 140 Q HA 0.092 4.429 4.340 -0.004 0.000 0.265 140 Q C -2.333 173.706 176.000 0.064 0.000 0.975 140 Q CA -0.291 55.555 55.803 0.071 0.000 0.923 140 Q CB 4.575 33.445 28.738 0.220 0.000 1.518 140 Q HN -0.051 8.227 8.270 0.078 0.038 0.401 141 D N 1.402 121.723 120.400 -0.132 0.000 2.312 141 D HA 0.049 4.704 4.640 0.025 0.000 0.252 141 D C -1.336 174.754 176.300 -0.351 0.000 1.150 141 D CA 0.332 54.258 54.000 -0.124 0.000 0.870 141 D CB 0.010 40.739 40.800 -0.117 0.000 1.153 141 D HN 0.178 8.439 8.370 -0.182 0.000 0.457 142 F N 2.569 122.561 119.950 0.072 0.000 2.626 142 F HA 0.111 4.675 4.527 0.062 0.000 0.311 142 F C -0.899 174.933 175.800 0.054 0.000 1.088 142 F CA -1.383 56.661 58.000 0.074 0.000 0.949 142 F CB 3.680 42.752 39.000 0.120 0.000 1.322 142 F HN -0.119 8.307 8.300 0.209 0.000 0.461 143 E N 2.868 123.224 120.200 0.259 0.000 2.313 143 E HA 0.158 4.568 4.350 0.099 0.000 0.276 143 E C -1.170 175.470 176.600 0.066 0.000 1.031 143 E CA 0.077 56.551 56.400 0.123 0.000 0.857 143 E CB 0.753 30.505 29.700 0.086 0.000 1.040 143 E HN 0.286 8.849 8.360 0.337 0.000 0.408 144 S N 1.454 117.141 115.700 -0.022 0.000 2.564 144 S HA 0.119 4.529 4.470 -0.101 0.000 0.274 144 S C -1.648 172.793 174.600 -0.265 0.000 1.124 144 S CA -0.752 57.366 58.200 -0.138 0.000 0.869 144 S CB 2.714 65.815 63.200 -0.165 0.000 1.105 144 S HN -0.019 8.281 8.310 -0.017 0.000 0.472 145 D N 1.745 121.983 120.400 -0.270 0.000 2.463 145 D HA 0.229 4.721 4.640 -0.247 0.000 0.237 145 D C -0.276 175.802 176.300 -0.371 0.000 1.013 145 D CA 0.626 54.468 54.000 -0.264 0.000 0.910 145 D CB 1.765 42.483 40.800 -0.137 0.000 1.080 145 D HN 0.325 8.565 8.370 -0.217 0.000 0.498 146 T N 2.956 117.308 114.554 -0.338 0.000 2.795 146 T HA 0.254 4.491 4.350 -0.189 0.000 0.282 146 T C -1.223 173.282 174.700 -0.325 0.000 0.980 146 T CA 0.326 62.276 62.100 -0.250 0.000 1.012 146 T CB 0.842 69.648 68.868 -0.104 0.000 0.936 146 T HN -0.696 7.380 8.240 -0.274 0.000 0.457 147 F N 4.049 124.019 119.950 0.033 0.000 2.425 147 F HA 0.414 5.147 4.527 0.082 -0.157 0.331 147 F C -0.528 175.312 175.800 0.068 0.000 1.085 147 F CA -1.271 56.763 58.000 0.057 0.000 1.028 147 F CB 2.343 41.364 39.000 0.034 0.000 1.177 147 F HN 0.263 8.612 8.300 0.082 0.000 0.487 148 F N 4.294 124.342 119.950 0.163 0.000 2.396 148 F HA 0.321 4.854 4.527 0.009 0.000 0.343 148 F C -1.450 174.364 175.800 0.023 0.000 1.104 148 F CA -2.751 55.272 58.000 0.039 0.000 1.161 148 F CB 2.287 41.277 39.000 -0.017 0.000 1.146 148 F HN -0.325 8.262 8.300 0.479 0.000 0.522 149 P HA 0.034 4.335 4.420 -0.197 0.000 0.271 149 P C -1.757 175.398 177.300 -0.240 0.000 1.216 149 P CA -0.282 62.574 63.100 -0.408 0.000 0.776 149 P CB 1.121 32.527 31.700 -0.491 0.000 0.881 150 E N 1.227 121.373 120.200 -0.090 0.000 2.366 150 E HA -0.111 4.264 4.350 0.042 0.000 0.266 150 E C -0.549 175.991 176.600 -0.100 0.000 1.015 150 E CA 0.104 56.484 56.400 -0.034 0.000 0.906 150 E CB 0.344 30.026 29.700 -0.030 0.000 0.979 150 E HN 0.016 8.321 8.360 -0.092 0.000 0.443 151 I N 5.956 126.449 120.570 -0.128 0.000 2.441 151 I HA -0.073 3.889 4.170 -0.347 0.000 0.287 151 I C -0.433 175.592 176.117 -0.154 0.000 1.049 151 I CA -0.191 60.933 61.300 -0.294 0.000 1.381 151 I CB 0.912 38.574 38.000 -0.562 0.000 1.409 151 I HN -0.017 8.147 8.210 -0.077 0.000 0.523 152 D N 6.614 126.964 120.400 -0.083 0.000 2.358 152 D HA 0.002 4.666 4.640 0.040 0.000 0.258 152 D C 0.730 177.132 176.300 0.170 0.000 1.223 152 D CA 0.497 54.538 54.000 0.068 0.000 0.886 152 D CB 0.517 41.387 40.800 0.115 0.000 1.120 152 D HN 0.220 8.503 8.370 -0.145 0.000 0.482 153 L N 5.505 126.810 121.223 0.138 0.000 2.201 153 L HA -0.259 4.357 4.340 0.252 -0.124 0.212 153 L C 1.844 178.806 176.870 0.153 0.000 1.105 153 L CA 2.529 57.475 54.840 0.177 0.000 0.775 153 L CB 0.566 42.705 42.059 0.133 0.000 0.913 153 L HN 0.470 8.757 8.230 0.094 0.000 0.440 154 E N -1.943 118.329 120.200 0.119 0.000 2.150 154 E HA -0.247 4.148 4.350 0.074 0.000 0.193 154 E C 0.908 177.562 176.600 0.089 0.000 0.985 154 E CA 2.338 58.791 56.400 0.088 0.000 0.814 154 E CB -0.205 29.535 29.700 0.066 0.000 0.752 154 E HN 0.379 8.777 8.360 0.109 0.027 0.466 155 K N -3.887 116.595 120.400 0.136 0.000 2.313 155 K HA 0.031 4.364 4.320 0.022 0.000 0.197 155 K C -0.484 176.123 176.600 0.011 0.000 1.061 155 K CA 0.885 57.219 56.287 0.079 0.000 0.980 155 K CB 1.813 34.381 32.500 0.113 0.000 0.888 155 K HN -0.671 7.567 8.250 0.189 0.126 0.502 156 Y N -0.994 119.342 120.300 0.061 0.000 2.342 156 Y HA 0.565 5.360 4.550 0.061 -0.208 0.334 156 Y C -0.657 175.319 175.900 0.127 0.000 1.067 156 Y CA -0.568 57.593 58.100 0.101 0.000 1.128 156 Y CB 1.844 40.395 38.460 0.152 0.000 1.200 156 Y HN 0.084 8.507 8.280 0.419 0.108 0.464 157 K N 1.373 121.891 120.400 0.196 0.000 2.183 157 K HA 0.362 4.744 4.320 0.103 0.000 0.274 157 K C -0.954 175.652 176.600 0.010 0.000 1.009 157 K CA -1.553 54.793 56.287 0.098 0.000 0.888 157 K CB 2.174 34.698 32.500 0.039 0.000 1.078 157 K HN 0.956 9.160 8.250 0.134 0.126 0.459 158 L N 5.819 127.003 121.223 -0.065 0.000 2.325 158 L HA 0.028 3.919 4.340 -0.748 0.000 0.284 158 L C -0.597 176.123 176.870 -0.250 0.000 1.089 158 L CA -0.052 54.599 54.840 -0.316 0.000 0.836 158 L CB 0.341 42.296 42.059 -0.173 0.000 1.184 158 L HN 0.436 8.671 8.230 0.007 0.000 0.444 159 L N 7.029 128.048 121.223 -0.340 0.000 2.321 159 L HA 0.517 4.807 4.340 -0.085 0.000 0.272 159 L C -1.427 175.357 176.870 -0.143 0.000 1.050 159 L CA -3.224 51.516 54.840 -0.168 0.000 0.893 159 L CB -0.187 41.796 42.059 -0.128 0.000 1.272 159 L HN 0.999 8.793 8.230 -0.565 0.096 0.435 160 P HA -0.024 4.359 4.420 -0.062 0.000 0.221 160 P C -1.125 176.187 177.300 0.019 0.000 1.150 160 P CA 0.984 64.058 63.100 -0.044 0.000 0.800 160 P CB 0.503 32.183 31.700 -0.035 0.000 0.787 161 E N -2.962 117.263 120.200 0.041 0.000 2.316 161 E HA 0.213 4.619 4.350 0.094 0.000 0.254 161 E C -1.995 174.681 176.600 0.127 0.000 0.902 161 E CA -0.626 55.819 56.400 0.075 0.000 0.801 161 E CB 1.717 31.439 29.700 0.036 0.000 1.270 161 E HN -0.266 8.086 8.360 0.027 0.024 0.414 162 Y N 4.790 125.116 120.300 0.043 0.000 2.446 162 Y HA 0.336 4.909 4.550 0.039 0.000 0.345 162 Y C -2.834 173.122 175.900 0.093 0.000 0.984 162 Y CA -3.016 55.121 58.100 0.063 0.000 1.058 162 Y CB 2.699 41.202 38.460 0.072 0.000 1.220 162 Y HN 0.034 8.469 8.280 0.259 0.000 0.455 163 P HA -0.076 4.266 4.420 -0.130 0.000 0.262 163 P C -0.357 176.952 177.300 0.014 0.000 1.182 163 P CA 1.089 64.022 63.100 -0.279 0.000 0.761 163 P CB 0.616 32.051 31.700 -0.440 0.000 0.795 164 G N 3.892 112.735 108.800 0.071 0.000 2.358 164 G HA2 -0.219 3.774 3.960 0.055 0.000 0.224 164 G HA3 -0.219 3.839 3.960 0.162 0.000 0.224 164 G C -1.121 173.869 174.900 0.150 0.000 1.073 164 G CA -0.208 44.961 45.100 0.115 0.000 0.635 164 G HN 0.093 8.399 8.290 0.026 0.000 0.509 165 V N 2.558 122.635 119.914 0.271 0.000 2.532 165 V HA 0.592 4.874 4.120 0.271 0.000 0.295 165 V C -0.644 175.582 176.094 0.220 0.000 1.041 165 V CA -1.456 61.025 62.300 0.303 0.000 0.926 165 V CB 1.465 33.583 31.823 0.492 0.000 0.992 165 V HN -0.535 7.765 8.190 0.347 0.099 0.457 166 L N 7.169 128.497 121.223 0.175 0.000 2.417 166 L HA 0.113 4.493 4.340 0.066 0.000 0.268 166 L C -0.314 176.591 176.870 0.058 0.000 1.158 166 L CA 0.796 55.672 54.840 0.059 0.000 0.819 166 L CB 0.672 42.698 42.059 -0.055 0.000 1.112 166 L HN 0.264 8.647 8.230 0.255 0.000 0.458 167 S N -0.356 115.364 115.700 0.035 0.000 2.514 167 S HA -0.025 4.483 4.470 0.063 0.000 0.223 167 S C -0.819 173.775 174.600 -0.011 0.000 1.046 167 S CA 0.444 58.663 58.200 0.032 0.000 0.914 167 S CB 0.736 63.955 63.200 0.031 0.000 0.807 167 S HN 0.157 8.480 8.310 0.022 0.000 0.497 168 D N 0.228 120.608 120.400 -0.034 0.000 2.443 168 D HA -0.092 4.521 4.640 -0.044 0.000 0.239 168 D C 0.007 176.241 176.300 -0.109 0.000 1.136 168 D CA 0.576 54.541 54.000 -0.058 0.000 0.879 168 D CB 0.981 41.749 40.800 -0.053 0.000 1.195 168 D HN -0.473 7.881 8.370 -0.027 0.000 0.443 169 V N 2.232 122.080 119.914 -0.111 0.000 2.508 169 V HA -0.230 3.863 4.120 -0.230 -0.111 0.281 169 V C 0.253 176.219 176.094 -0.213 0.000 1.041 169 V CA 0.814 63.010 62.300 -0.172 0.000 1.016 169 V CB 0.387 32.145 31.823 -0.109 0.000 0.984 169 V HN 0.105 8.248 8.190 -0.077 0.000 0.478 170 Q N 9.013 128.566 119.800 -0.411 0.000 2.249 170 Q HA 0.226 4.461 4.340 -0.175 0.000 0.226 170 Q C -1.919 174.015 176.000 -0.110 0.000 0.983 170 Q CA -0.248 55.358 55.803 -0.328 0.000 0.930 170 Q CB 2.611 31.035 28.738 -0.522 0.000 1.193 170 Q HN 0.254 8.141 8.270 -0.638 0.000 0.508 171 E N 0.227 120.468 120.200 0.068 0.000 2.287 171 E HA 0.459 5.177 4.350 0.202 -0.246 0.274 171 E C -1.500 175.198 176.600 0.162 0.000 0.896 171 E CA -1.068 55.415 56.400 0.140 0.000 0.788 171 E CB 2.549 32.289 29.700 0.067 0.000 1.244 171 E HN 0.169 8.561 8.360 0.053 0.000 0.408 172 E N 4.982 125.287 120.200 0.175 0.000 2.278 172 E HA 0.322 4.738 4.350 0.111 0.000 0.272 172 E C -0.333 176.324 176.600 0.096 0.000 0.890 172 E CA -1.274 55.203 56.400 0.128 0.000 0.770 172 E CB 2.802 32.587 29.700 0.143 0.000 1.212 172 E HN 0.409 8.880 8.360 0.185 0.000 0.415 173 K N 5.835 126.284 120.400 0.081 0.000 3.069 173 K HA -0.303 4.055 4.320 0.064 0.000 0.267 173 K C -0.477 176.174 176.600 0.086 0.000 1.082 173 K CA 0.626 56.959 56.287 0.077 0.000 0.782 173 K CB -1.034 31.515 32.500 0.081 0.000 1.230 173 K HN 0.901 9.196 8.250 0.075 0.000 0.488 174 G N -5.015 103.833 108.800 0.080 0.000 2.143 174 G HA2 -0.357 3.642 3.960 0.064 0.000 0.248 174 G HA3 -0.357 3.647 3.960 0.073 0.000 0.248 174 G C -0.542 174.416 174.900 0.096 0.000 0.991 174 G CA -0.117 45.029 45.100 0.077 0.000 0.689 174 G HN 0.116 8.427 8.290 0.076 0.025 0.522 175 I N 0.724 121.358 120.570 0.106 0.000 2.382 175 I HA 0.041 4.403 4.170 0.127 -0.116 0.286 175 I C -1.376 174.819 176.117 0.129 0.000 1.002 175 I CA -1.150 60.214 61.300 0.106 0.000 1.135 175 I CB 0.754 38.788 38.000 0.057 0.000 1.288 175 I HN -0.446 7.652 8.210 0.101 0.173 0.448 176 K N 7.804 128.276 120.400 0.120 0.000 2.156 176 K HA 0.871 5.523 4.320 0.178 -0.225 0.271 176 K C -0.835 175.870 176.600 0.175 0.000 0.995 176 K CA -1.186 55.183 56.287 0.137 0.000 0.890 176 K CB 2.016 34.547 32.500 0.052 0.000 1.073 176 K HN 0.604 8.910 8.250 0.094 0.000 0.454 177 Y N -0.198 120.030 120.300 -0.120 0.000 2.581 177 Y HA 0.518 5.066 4.550 -0.167 -0.099 0.337 177 Y C -3.016 172.825 175.900 -0.099 0.000 1.108 177 Y CA -2.293 55.704 58.100 -0.171 0.000 1.033 177 Y CB 2.958 41.225 38.460 -0.321 0.000 1.318 177 Y HN 0.433 8.722 8.280 0.016 0.000 0.459 178 K N -0.897 119.420 120.400 -0.139 0.000 2.375 178 K HA 0.484 4.679 4.320 -0.208 0.000 0.249 178 K C -2.331 174.237 176.600 -0.053 0.000 0.942 178 K CA -2.615 53.595 56.287 -0.128 0.000 0.806 178 K CB 4.788 37.251 32.500 -0.063 0.000 1.227 178 K HN 0.476 8.693 8.250 -0.055 0.000 0.430 179 F N 1.189 121.103 119.950 -0.060 0.000 2.405 179 F HA 0.027 4.634 4.527 0.134 0.000 0.355 179 F C -1.568 174.279 175.800 0.079 0.000 1.121 179 F CA 0.244 58.291 58.000 0.077 0.000 1.112 179 F CB 1.791 40.868 39.000 0.129 0.000 1.126 179 F HN 0.414 8.826 8.300 0.186 0.000 0.481 180 E N 3.848 124.152 120.200 0.174 0.000 2.195 180 E HA 0.307 4.664 4.350 0.012 0.000 0.271 180 E C -1.648 174.939 176.600 -0.021 0.000 0.923 180 E CA -1.505 54.926 56.400 0.052 0.000 0.790 180 E CB 3.701 33.426 29.700 0.043 0.000 1.155 180 E HN 0.187 8.515 8.360 0.100 0.092 0.402 181 V N 2.929 122.666 119.914 -0.295 0.000 2.495 181 V HA 0.187 3.830 4.120 -0.796 0.000 0.298 181 V C -1.610 174.147 176.094 -0.561 0.000 1.031 181 V CA -1.831 60.099 62.300 -0.615 0.000 0.871 181 V CB 1.526 32.891 31.823 -0.764 0.000 0.988 181 V HN 0.213 8.230 8.190 -0.287 0.000 0.432 182 Y N 5.064 125.186 120.300 -0.297 0.000 2.391 182 Y HA 0.703 5.484 4.550 -0.029 -0.249 0.341 182 Y C -1.401 174.471 175.900 -0.046 0.000 0.965 182 Y CA -2.029 56.040 58.100 -0.052 0.000 1.067 182 Y CB 4.038 42.559 38.460 0.103 0.000 1.199 182 Y HN 1.184 9.222 8.280 -0.237 0.100 0.450 183 E N 3.140 123.393 120.200 0.088 0.000 2.210 183 E HA 0.463 4.736 4.350 -0.127 0.000 0.266 183 E C -1.785 174.665 176.600 -0.250 0.000 0.883 183 E CA -1.846 54.508 56.400 -0.078 0.000 0.761 183 E CB 3.985 33.668 29.700 -0.029 0.000 1.156 183 E HN 0.373 8.800 8.360 0.111 0.000 0.412 184 K N 6.147 126.181 120.400 -0.611 0.000 2.240 184 K HA 0.478 4.465 4.320 -0.870 -0.189 0.271 184 K C -0.696 175.587 176.600 -0.528 0.000 1.018 184 K CA -1.802 53.984 56.287 -0.836 0.000 0.874 184 K CB 1.686 33.527 32.500 -1.099 0.000 1.098 184 K HN -0.163 7.694 8.250 -0.656 0.000 0.458 185 N N 7.629 126.177 118.700 -0.254 0.000 2.530 185 N HA -0.161 4.649 4.740 0.117 0.000 0.273 185 N C -0.995 174.497 175.510 -0.031 0.000 1.173 185 N CA 0.867 53.895 53.050 -0.036 0.000 0.967 185 N CB 1.248 39.727 38.487 -0.013 0.000 1.109 185 N HN -0.112 8.105 8.380 -0.272 0.000 0.453 186 D N 0.000 120.438 120.400 0.063 0.000 6.856 186 D HA 0.000 4.645 4.640 0.008 0.000 0.175 186 D CA 0.000 54.020 54.000 0.032 0.000 0.868 186 D CB 0.000 40.832 40.800 0.054 0.000 0.688 186 D HN 0.000 8.452 8.370 0.136 0.000 0.683