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 1xn5_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTRLPDIKKE VRFNAPIEKV WEAVSTSEGL AFWFMENDLK AETGHHFHLQ DATA SEQUENCE SPFGPSPCQV TDVERPIKLS FTWDTDGWSV TFHLKEEENG TIFTIVHSGW DATA SEQUENCE KQGDTKVEKA GAESAVVHER MDRGWHDLVN ERLRQIVE 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 M HA 0.000 4.478 4.480 -0.004 0.000 0.227 1 M C 0.000 176.299 176.300 -0.002 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.004 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.006 0.000 1.302 2 T N 1.432 115.985 114.554 -0.001 0.000 3.948 2 T HA 0.150 4.502 4.350 0.002 0.000 0.303 2 T C -1.839 172.864 174.700 0.005 0.000 0.942 2 T CA 0.180 62.280 62.100 0.001 0.000 1.028 2 T CB 0.401 69.268 68.868 -0.001 0.000 1.154 2 T HN -0.210 8.028 8.240 -0.002 0.000 0.471 3 R N -1.058 119.446 120.500 0.006 0.000 2.993 3 R HA 0.141 4.495 4.340 0.022 0.000 0.288 3 R C -1.714 174.591 176.300 0.009 0.000 0.982 3 R CA -0.623 55.486 56.100 0.015 0.000 0.832 3 R CB 2.237 32.547 30.300 0.016 0.000 1.340 3 R HN -0.499 7.773 8.270 0.003 0.000 0.516 4 L N 2.511 123.745 121.223 0.019 0.000 2.399 4 L HA 0.299 4.618 4.340 -0.034 0.000 0.266 4 L C -1.048 175.781 176.870 -0.069 0.000 1.114 4 L CA -1.784 53.038 54.840 -0.030 0.000 0.804 4 L CB 0.069 42.105 42.059 -0.038 0.000 1.146 4 L HN 0.226 8.488 8.230 0.052 0.000 0.451 5 P HA 0.146 4.513 4.420 -0.088 0.000 0.278 5 P C -1.191 175.956 177.300 -0.255 0.000 1.238 5 P CA -0.653 62.354 63.100 -0.154 0.000 0.794 5 P CB 0.322 31.956 31.700 -0.111 0.000 0.955 6 D N -1.424 118.904 120.400 -0.121 0.000 2.377 6 D HA -0.118 4.542 4.640 0.034 0.000 0.245 6 D C 0.012 176.243 176.300 -0.115 0.000 1.196 6 D CA -0.567 53.395 54.000 -0.063 0.000 0.962 6 D CB 0.574 41.358 40.800 -0.027 0.000 1.127 6 D HN -0.103 8.220 8.370 -0.078 0.000 0.471 7 I N -0.165 120.390 120.570 -0.024 0.000 2.395 7 I HA 0.085 4.256 4.170 0.000 0.000 0.282 7 I C -1.426 174.683 176.117 -0.012 0.000 1.107 7 I CA -0.477 60.829 61.300 0.010 0.000 1.210 7 I CB -0.134 37.946 38.000 0.133 0.000 1.456 7 I HN 0.594 8.725 8.210 0.047 0.108 0.504 8 K N 7.927 128.314 120.400 -0.022 0.000 2.265 8 K HA 0.477 4.981 4.320 -0.019 -0.196 0.267 8 K C -1.176 175.416 176.600 -0.013 0.000 0.994 8 K CA -0.992 55.282 56.287 -0.022 0.000 0.860 8 K CB 1.901 34.379 32.500 -0.038 0.000 1.099 8 K HN -0.036 8.198 8.250 -0.027 0.000 0.448 9 K N 4.736 125.156 120.400 0.033 0.000 2.395 9 K HA 0.437 4.735 4.320 -0.038 0.000 0.245 9 K C -2.436 174.239 176.600 0.124 0.000 1.017 9 K CA -2.275 54.037 56.287 0.042 0.000 0.852 9 K CB 4.278 36.809 32.500 0.052 0.000 1.311 9 K HN 0.465 8.657 8.250 0.068 0.100 0.452 10 E N 0.790 121.073 120.200 0.138 0.000 2.343 10 E HA 0.817 5.423 4.350 0.165 -0.157 0.278 10 E C -2.092 174.570 176.600 0.104 0.000 0.910 10 E CA -1.530 54.943 56.400 0.122 0.000 0.757 10 E CB 3.195 32.924 29.700 0.048 0.000 1.218 10 E HN 0.196 8.637 8.360 0.136 0.000 0.435 11 V N -0.753 119.150 119.914 -0.019 0.000 3.114 11 V HA 0.578 4.620 4.120 -0.130 0.000 0.308 11 V C -2.604 173.196 176.094 -0.490 0.000 1.168 11 V CA -2.298 59.844 62.300 -0.263 0.000 1.015 11 V CB 3.968 35.555 31.823 -0.393 0.000 1.050 11 V HN 0.877 9.073 8.190 0.011 0.000 0.433 12 R N 2.041 122.219 120.500 -0.536 0.000 2.513 12 R HA 0.650 4.885 4.340 -0.388 -0.128 0.301 12 R C -1.465 174.638 176.300 -0.329 0.000 0.968 12 R CA -1.377 54.487 56.100 -0.393 0.000 0.872 12 R CB 2.594 32.813 30.300 -0.136 0.000 1.177 12 R HN 0.216 8.244 8.270 -0.402 0.000 0.444 13 F N 4.273 124.211 119.950 -0.021 0.000 2.561 13 F HA 0.265 4.758 4.527 -0.056 0.000 0.321 13 F C -1.964 173.814 175.800 -0.036 0.000 1.065 13 F CA -2.750 55.218 58.000 -0.053 0.000 0.934 13 F CB 4.038 42.976 39.000 -0.103 0.000 1.215 13 F HN -0.176 8.036 8.300 -0.147 0.000 0.471 14 N N 3.246 122.043 118.700 0.161 0.000 2.437 14 N HA -0.011 4.770 4.740 0.068 0.000 0.243 14 N C -1.411 174.127 175.510 0.047 0.000 1.041 14 N CA -0.065 53.030 53.050 0.074 0.000 0.940 14 N CB -0.482 38.030 38.487 0.041 0.000 1.133 14 N HN 0.486 8.961 8.380 0.158 0.000 0.506 15 A N 3.213 126.062 122.820 0.050 0.000 2.517 15 A HA 0.255 4.584 4.320 0.014 0.000 0.296 15 A C -3.298 174.311 177.584 0.042 0.000 0.983 15 A CA -1.205 50.850 52.037 0.030 0.000 0.634 15 A CB 0.950 19.955 19.000 0.009 0.000 1.341 15 A HN -0.514 7.670 8.150 0.058 0.000 0.438 16 P HA 0.192 4.635 4.420 0.037 0.000 0.282 16 P C -0.304 177.036 177.300 0.067 0.000 1.262 16 P CA -0.442 62.683 63.100 0.041 0.000 0.773 16 P CB 0.739 32.459 31.700 0.033 0.000 0.879 17 I N 5.289 125.901 120.570 0.070 0.000 2.381 17 I HA -0.544 3.706 4.170 0.133 0.000 0.255 17 I C 0.811 177.024 176.117 0.160 0.000 1.140 17 I CA 3.490 64.852 61.300 0.103 0.000 1.404 17 I CB 0.258 38.285 38.000 0.045 0.000 1.075 17 I HN 0.202 8.441 8.210 0.049 0.000 0.433 18 E N -0.618 119.655 120.200 0.122 0.000 2.058 18 E HA -0.421 4.060 4.350 0.218 0.000 0.194 18 E C 2.216 178.918 176.600 0.171 0.000 0.997 18 E CA 3.819 60.314 56.400 0.159 0.000 0.801 18 E CB -0.885 28.874 29.700 0.098 0.000 0.746 18 E HN 0.185 8.564 8.360 0.080 0.029 0.450 19 K N -0.695 119.768 120.400 0.105 0.000 2.002 19 K HA -0.278 4.077 4.320 0.057 0.000 0.209 19 K C 2.697 179.344 176.600 0.079 0.000 1.048 19 K CA 3.263 59.589 56.287 0.065 0.000 0.930 19 K CB -0.100 32.411 32.500 0.017 0.000 0.714 19 K HN -0.270 7.942 8.250 0.082 0.088 0.438 20 V N -0.386 119.590 119.914 0.104 0.000 2.282 20 V HA -0.479 3.656 4.120 0.025 0.000 0.249 20 V C 1.507 177.737 176.094 0.227 0.000 1.057 20 V CA 4.978 67.353 62.300 0.125 0.000 1.032 20 V CB -0.240 31.687 31.823 0.174 0.000 0.645 20 V HN -0.538 7.714 8.190 0.104 0.000 0.447 21 W N -0.953 120.386 121.300 0.065 0.000 2.315 21 W HA -0.516 4.199 4.660 0.091 0.000 0.323 21 W C 2.509 179.068 176.519 0.066 0.000 1.233 21 W CA 2.668 60.055 57.345 0.070 0.000 1.267 21 W CB 0.020 29.509 29.460 0.048 0.000 1.160 21 W HN 0.647 8.933 8.180 0.399 0.133 0.474 22 E N -1.050 119.181 120.200 0.053 0.000 2.267 22 E HA -0.360 3.866 4.350 -0.207 0.000 0.197 22 E C 2.072 178.637 176.600 -0.059 0.000 0.998 22 E CA 2.923 59.281 56.400 -0.070 0.000 0.830 22 E CB -0.165 29.547 29.700 0.020 0.000 0.751 22 E HN 0.313 8.682 8.360 0.205 0.114 0.491 23 A N -3.155 119.671 122.820 0.009 0.000 2.123 23 A HA -0.010 4.361 4.320 0.085 0.000 0.214 23 A C 0.127 177.805 177.584 0.157 0.000 1.152 23 A CA 2.061 54.142 52.037 0.074 0.000 0.728 23 A CB 0.510 19.524 19.000 0.023 0.000 0.814 23 A HN 0.298 8.215 8.150 0.047 0.261 0.464 24 V N -7.429 112.504 119.914 0.032 0.000 3.176 24 V HA 0.321 4.548 4.120 0.177 0.000 0.332 24 V C -0.911 174.976 176.094 -0.344 0.000 1.414 24 V CA -0.268 62.043 62.300 0.018 0.000 1.133 24 V CB 1.279 33.205 31.823 0.171 0.000 1.088 24 V HN -0.044 7.917 8.190 -0.047 0.201 0.473 25 S N -0.683 114.739 115.700 -0.463 0.000 2.564 25 S HA 0.103 4.130 4.470 -0.738 0.000 0.231 25 S C 0.081 174.473 174.600 -0.346 0.000 1.067 25 S CA 0.916 58.732 58.200 -0.639 0.000 0.908 25 S CB 1.883 64.529 63.200 -0.924 0.000 0.809 25 S HN -0.460 7.485 8.310 -0.311 0.178 0.491 26 T N -2.169 112.251 114.554 -0.223 0.000 2.884 26 T HA 0.285 4.535 4.350 -0.166 0.000 0.277 26 T C 1.786 176.410 174.700 -0.126 0.000 0.976 26 T CA -1.480 60.532 62.100 -0.147 0.000 0.956 26 T CB 2.779 71.597 68.868 -0.083 0.000 1.113 26 T HN -0.758 7.370 8.240 -0.186 0.000 0.554 27 S N -0.032 115.607 115.700 -0.103 0.000 2.387 27 S HA -0.073 4.468 4.470 -0.127 -0.147 0.221 27 S C 1.708 176.267 174.600 -0.068 0.000 1.041 27 S CA 3.423 61.565 58.200 -0.097 0.000 0.959 27 S CB -0.414 62.741 63.200 -0.075 0.000 0.843 27 S HN 0.397 8.653 8.310 -0.089 0.000 0.488 28 E N 2.684 122.858 120.200 -0.044 0.000 2.085 28 E HA -0.295 4.000 4.350 -0.092 0.000 0.194 28 E C 2.389 179.045 176.600 0.093 0.000 0.994 28 E CA 3.307 59.687 56.400 -0.033 0.000 0.801 28 E CB -0.590 29.092 29.700 -0.029 0.000 0.743 28 E HN 0.433 8.767 8.360 -0.043 0.000 0.453 29 G N -2.332 106.556 108.800 0.147 0.000 2.408 29 G HA2 -0.180 4.077 3.960 0.495 0.000 0.217 29 G HA3 -0.180 3.890 3.960 0.183 0.000 0.217 29 G C 0.683 175.764 174.900 0.303 0.000 1.150 29 G CA 1.484 46.754 45.100 0.283 0.000 0.776 29 G HN -0.568 7.762 8.290 0.068 0.000 0.542 30 L N 0.824 122.089 121.223 0.070 0.000 2.034 30 L HA -0.116 4.164 4.340 -0.210 -0.066 0.203 30 L C 1.955 178.580 176.870 -0.408 0.000 1.074 30 L CA 2.617 57.331 54.840 -0.212 0.000 0.748 30 L CB 0.528 42.482 42.059 -0.176 0.000 0.905 30 L HN -0.906 7.219 8.230 0.011 0.112 0.439 31 A N -1.202 121.487 122.820 -0.218 0.000 2.084 31 A HA -0.300 3.903 4.320 -0.449 -0.153 0.221 31 A C 2.387 179.881 177.584 -0.151 0.000 1.161 31 A CA 2.815 54.683 52.037 -0.282 0.000 0.653 31 A CB -0.972 17.881 19.000 -0.245 0.000 0.802 31 A HN 0.689 8.639 8.150 -0.145 0.113 0.457 32 F N -1.833 118.046 119.950 -0.118 0.000 2.307 32 F HA -0.274 4.245 4.527 -0.014 0.000 0.301 32 F C 0.068 175.943 175.800 0.124 0.000 1.076 32 F CA 2.628 60.643 58.000 0.025 0.000 1.383 32 F CB 0.196 39.273 39.000 0.128 0.000 1.055 32 F HN -0.619 7.696 8.300 0.160 0.081 0.526 33 W N -4.788 116.616 121.300 0.174 0.000 4.634 33 W HA 0.042 4.746 4.660 0.073 0.000 0.188 33 W C -1.047 175.524 176.519 0.087 0.000 1.087 33 W CA -0.385 57.014 57.345 0.089 0.000 1.788 33 W CB 0.274 29.748 29.460 0.024 0.000 0.651 33 W HN -0.105 7.803 8.180 -0.173 0.168 0.982 34 F N 1.438 120.801 119.950 -0.979 0.000 1.990 34 F HA -0.219 3.924 4.527 -0.640 0.000 0.293 34 F C -0.925 174.580 175.800 -0.492 0.000 1.244 34 F CA 1.780 59.241 58.000 -0.899 0.000 1.153 34 F CB 1.080 39.285 39.000 -1.326 0.000 0.975 34 F HN -0.045 7.162 8.300 -1.671 0.091 0.492 35 M N -4.605 114.203 119.600 -1.320 0.000 2.790 35 M HA -0.012 4.067 4.480 -0.668 0.000 0.272 35 M C -2.129 173.691 176.300 -0.800 0.000 1.168 35 M CA -0.822 53.792 55.300 -1.144 0.000 0.829 35 M CB 4.042 35.732 32.600 -1.516 0.000 1.675 35 M HN -0.565 7.058 8.290 -1.112 0.000 0.505 36 E N -0.055 119.850 120.200 -0.493 0.000 2.452 36 E HA -0.131 4.067 4.350 -0.254 0.000 0.261 36 E C -0.842 175.615 176.600 -0.239 0.000 0.987 36 E CA 1.303 57.527 56.400 -0.294 0.000 0.926 36 E CB 0.805 30.386 29.700 -0.199 0.000 0.934 36 E HN 0.294 8.394 8.360 -0.433 0.000 0.452 37 N N 0.150 118.782 118.700 -0.112 0.000 3.261 37 N HA 0.212 5.112 4.740 0.070 -0.118 0.248 37 N C -1.961 173.584 175.510 0.058 0.000 1.498 37 N CA -0.485 52.591 53.050 0.044 0.000 0.884 37 N CB 2.760 41.340 38.487 0.154 0.000 1.428 37 N HN 0.022 8.335 8.380 -0.111 0.000 0.517 38 D N -1.622 118.878 120.400 0.167 0.000 2.720 38 D HA 0.342 5.008 4.640 0.043 0.000 0.285 38 D C -0.307 176.033 176.300 0.066 0.000 1.359 38 D CA -0.777 53.290 54.000 0.112 0.000 0.818 38 D CB 0.398 41.298 40.800 0.167 0.000 1.108 38 D HN 0.096 8.692 8.370 0.377 0.000 0.474 39 L N -0.410 120.716 121.223 -0.162 0.000 2.467 39 L HA -0.006 4.063 4.340 -0.452 0.000 0.270 39 L C -0.427 176.319 176.870 -0.207 0.000 1.205 39 L CA 0.719 55.309 54.840 -0.417 0.000 0.828 39 L CB 1.064 42.658 42.059 -0.776 0.000 1.101 39 L HN -0.394 7.988 8.230 -0.152 -0.243 0.479 40 K N 4.352 124.633 120.400 -0.198 0.000 2.761 40 K HA 0.145 4.354 4.320 -0.186 0.000 0.196 40 K C -1.769 174.707 176.600 -0.206 0.000 1.134 40 K CA -0.598 55.566 56.287 -0.205 0.000 1.082 40 K CB 0.466 32.823 32.500 -0.238 0.000 0.768 40 K HN 0.407 8.554 8.250 -0.172 0.000 0.475 41 A N -1.801 120.889 122.820 -0.218 0.000 2.203 41 A HA -0.314 3.915 4.320 -0.153 0.000 0.279 41 A C -1.534 176.002 177.584 -0.081 0.000 1.396 41 A CA 1.126 53.061 52.037 -0.169 0.000 0.747 41 A CB -0.835 18.008 19.000 -0.262 0.000 1.151 41 A HN -0.258 7.734 8.150 -0.264 0.000 0.345 42 E N -0.508 119.657 120.200 -0.058 0.000 2.281 42 E HA 0.111 4.458 4.350 -0.005 0.000 0.266 42 E C -1.409 175.232 176.600 0.069 0.000 0.893 42 E CA -1.463 54.921 56.400 -0.027 0.000 0.798 42 E CB 2.820 32.428 29.700 -0.154 0.000 1.245 42 E HN -0.352 7.979 8.360 -0.048 0.000 0.410 43 T N 5.198 119.800 114.554 0.079 0.000 2.940 43 T HA -0.267 4.160 4.350 0.129 0.000 0.309 43 T C 1.448 176.224 174.700 0.127 0.000 1.056 43 T CA 2.589 64.754 62.100 0.108 0.000 1.137 43 T CB 0.248 69.170 68.868 0.089 0.000 0.976 43 T HN 0.428 8.707 8.240 0.065 0.000 0.547 44 G N 7.569 116.461 108.800 0.153 0.000 2.160 44 G HA2 -0.475 3.579 3.960 0.158 0.000 0.251 44 G HA3 -0.475 3.568 3.960 0.140 0.000 0.251 44 G C -1.042 173.999 174.900 0.235 0.000 1.008 44 G CA 0.459 45.659 45.100 0.167 0.000 0.724 44 G HN 0.219 8.601 8.290 0.154 0.000 0.514 45 H N 0.410 119.543 119.070 0.104 0.000 2.509 45 H HA 0.128 4.654 4.556 -0.051 0.000 0.359 45 H C -1.928 173.506 175.328 0.177 0.000 1.253 45 H CA -1.352 54.716 56.048 0.033 0.000 1.373 45 H CB 2.470 32.211 29.762 -0.034 0.000 1.555 45 H HN -0.903 7.514 8.280 0.283 0.032 0.586 46 H N -2.558 116.258 119.070 -0.424 0.000 2.906 46 H HA 0.361 4.889 4.556 -0.047 0.000 0.324 46 H C -1.689 173.444 175.328 -0.325 0.000 0.973 46 H CA -2.203 53.712 56.048 -0.221 0.000 1.321 46 H CB 0.622 30.366 29.762 -0.030 0.000 1.535 46 H HN -0.016 7.212 8.280 -1.753 0.000 0.518 47 F N 0.163 119.967 119.950 -0.243 0.000 2.601 47 F HA 0.395 4.915 4.527 -0.012 0.000 0.309 47 F C -2.864 172.967 175.800 0.053 0.000 1.089 47 F CA -2.404 55.543 58.000 -0.089 0.000 0.940 47 F CB 2.618 41.533 39.000 -0.142 0.000 1.273 47 F HN 0.184 8.508 8.300 0.041 0.000 0.450 48 H N 0.271 119.266 119.070 -0.124 0.000 2.523 48 H HA 0.269 4.648 4.556 -0.296 0.000 0.345 48 H C -1.524 173.730 175.328 -0.123 0.000 1.261 48 H CA 0.068 56.010 56.048 -0.176 0.000 1.343 48 H CB 2.598 32.328 29.762 -0.053 0.000 1.650 48 H HN 0.105 8.573 8.280 0.312 0.000 0.591 49 L N -1.742 119.475 121.223 -0.009 0.000 2.385 49 L HA 0.438 4.878 4.340 -0.059 -0.135 0.273 49 L C -1.827 175.036 176.870 -0.013 0.000 0.990 49 L CA -0.844 53.955 54.840 -0.069 0.000 0.821 49 L CB 3.700 45.618 42.059 -0.236 0.000 1.279 49 L HN 0.519 8.765 8.230 0.026 0.000 0.412 50 Q N 5.842 125.599 119.800 -0.072 0.000 2.673 50 Q HA 0.268 4.621 4.340 0.022 0.000 0.224 50 Q C -1.289 174.671 176.000 -0.067 0.000 1.226 50 Q CA -1.370 54.409 55.803 -0.039 0.000 1.019 50 Q CB -0.983 27.725 28.738 -0.050 0.000 1.312 50 Q HN -0.157 8.033 8.270 -0.132 0.000 0.566 51 S N 2.655 118.367 115.700 0.020 0.000 2.693 51 S HA 0.456 4.898 4.470 -0.047 0.000 0.276 51 S C -1.183 173.483 174.600 0.109 0.000 1.192 51 S CA -2.417 55.823 58.200 0.067 0.000 0.994 51 S CB 1.257 64.614 63.200 0.262 0.000 1.012 51 S HN -0.670 7.696 8.310 0.094 0.000 0.550 52 P HA 0.022 4.476 4.420 0.056 0.000 0.218 52 P C 0.372 177.755 177.300 0.139 0.000 1.152 52 P CA 0.997 64.155 63.100 0.097 0.000 0.826 52 P CB 0.293 32.037 31.700 0.073 0.000 0.790 53 F N 0.016 120.026 119.950 0.100 0.000 2.365 53 F HA -0.247 4.331 4.527 0.085 0.000 0.300 53 F C 0.173 176.035 175.800 0.102 0.000 1.090 53 F CA 0.948 59.013 58.000 0.108 0.000 1.408 53 F CB 0.833 39.923 39.000 0.150 0.000 1.060 53 F HN -0.635 7.923 8.300 0.429 0.000 0.534 54 G N -2.947 106.040 108.800 0.313 0.000 2.337 54 G HA2 -0.128 3.920 3.960 0.147 0.000 0.310 54 G HA3 -0.128 3.975 3.960 0.240 0.000 0.310 54 G C -3.320 171.715 174.900 0.226 0.000 1.534 54 G CA -0.769 44.465 45.100 0.225 0.000 0.982 54 G HN -0.768 7.560 8.290 0.301 0.143 0.672 55 P HA 0.680 5.381 4.420 0.171 -0.179 0.276 55 P C -1.203 176.216 177.300 0.198 0.000 1.235 55 P CA -1.193 62.009 63.100 0.170 0.000 0.772 55 P CB 0.507 32.285 31.700 0.131 0.000 0.871 56 S N 2.866 118.696 115.700 0.218 0.000 2.549 56 S HA 0.530 5.078 4.470 0.130 0.000 0.280 56 S C -2.649 171.941 174.600 -0.018 0.000 1.109 56 S CA -2.919 55.386 58.200 0.175 0.000 0.905 56 S CB 2.770 66.162 63.200 0.321 0.000 1.081 56 S HN -0.116 8.322 8.310 0.212 0.000 0.477 57 P HA 0.115 3.701 4.420 -1.391 0.000 0.276 57 P C -1.398 175.642 177.300 -0.432 0.000 1.244 57 P CA -0.425 62.229 63.100 -0.744 0.000 0.801 57 P CB 0.953 32.288 31.700 -0.608 0.000 1.006 58 C N -2.444 116.443 119.300 -0.688 0.000 2.994 58 C HA 0.208 4.605 4.460 -0.248 -0.086 0.305 58 C C -2.051 172.615 174.990 -0.541 0.000 1.251 58 C CA -1.179 57.402 59.018 -0.728 0.000 1.478 58 C CB 4.682 31.485 27.740 -1.563 0.000 1.922 58 C HN 0.287 8.007 8.230 -0.849 0.000 0.472 59 Q N 1.361 121.171 119.800 0.017 0.000 2.284 59 Q HA 0.384 5.034 4.340 0.349 -0.101 0.269 59 Q C -1.769 174.484 176.000 0.422 0.000 1.026 59 Q CA -1.049 54.914 55.803 0.265 0.000 0.831 59 Q CB 4.060 32.876 28.738 0.130 0.000 1.322 59 Q HN 0.714 9.072 8.270 0.147 0.000 0.419 60 V N 7.446 127.619 119.914 0.432 0.000 2.686 60 V HA -0.058 4.402 4.120 0.380 -0.112 0.295 60 V C 0.453 176.672 176.094 0.208 0.000 1.055 60 V CA 0.970 63.459 62.300 0.316 0.000 1.050 60 V CB 0.341 32.296 31.823 0.220 0.000 0.984 60 V HN 0.221 8.665 8.190 0.423 0.000 0.482 61 T N 2.725 117.378 114.554 0.165 0.000 2.999 61 T HA 0.089 4.503 4.350 0.107 0.000 0.247 61 T C -0.465 174.289 174.700 0.091 0.000 1.012 61 T CA 0.138 62.303 62.100 0.108 0.000 1.048 61 T CB 1.581 70.493 68.868 0.074 0.000 1.020 61 T HN 0.211 8.557 8.240 0.176 0.000 0.478 62 D N -0.243 120.217 120.400 0.099 0.000 2.886 62 D HA 0.261 4.951 4.640 0.084 0.000 0.216 62 D C -2.677 173.693 176.300 0.118 0.000 1.256 62 D CA 0.517 54.569 54.000 0.088 0.000 0.844 62 D CB 4.332 45.166 40.800 0.057 0.000 1.669 62 D HN -0.779 7.663 8.370 0.119 0.000 0.513 63 V N 3.767 123.759 119.914 0.129 0.000 2.770 63 V HA 0.341 4.786 4.120 0.253 -0.173 0.280 63 V C -2.705 173.510 176.094 0.202 0.000 1.189 63 V CA -0.082 62.334 62.300 0.193 0.000 0.932 63 V CB 2.071 33.983 31.823 0.149 0.000 1.065 63 V HN 0.147 8.402 8.190 0.109 0.000 0.462 64 E N 7.998 128.338 120.200 0.233 0.000 2.448 64 E HA 0.296 4.764 4.350 0.198 0.000 0.288 64 E C -1.873 174.765 176.600 0.062 0.000 0.936 64 E CA -0.143 56.353 56.400 0.159 0.000 0.809 64 E CB 2.550 32.293 29.700 0.072 0.000 1.408 64 E HN -0.048 8.462 8.360 0.250 0.000 0.393 65 R N 3.921 124.490 120.500 0.115 0.000 3.618 65 R HA -0.313 3.893 4.340 -0.223 0.000 0.580 65 R C -2.297 173.140 176.300 -1.438 0.000 0.243 65 R CA 0.997 56.862 56.100 -0.392 0.000 1.793 65 R CB -0.577 29.547 30.300 -0.294 0.000 0.969 65 R HN 0.512 8.989 8.270 0.345 0.000 0.583 66 P HA 0.103 2.860 4.420 -2.773 0.000 0.237 66 P C -1.721 175.135 177.300 -0.740 0.000 1.788 66 P CA 0.358 62.333 63.100 -1.875 0.000 1.061 66 P CB -1.507 29.525 31.700 -1.113 0.000 1.967 67 I N -7.590 112.649 120.570 -0.552 0.000 4.505 67 I HA 0.602 4.910 4.170 -0.181 -0.248 0.294 67 I C -1.165 174.871 176.117 -0.136 0.000 1.144 67 I CA -0.345 60.813 61.300 -0.236 0.000 1.325 67 I CB 3.254 41.143 38.000 -0.186 0.000 1.663 67 I HN -0.167 7.623 8.210 -0.631 0.042 0.454 68 K N 1.364 121.689 120.400 -0.125 0.000 2.468 68 K HA 0.500 4.629 4.320 -0.319 0.000 0.252 68 K C -2.399 174.229 176.600 0.047 0.000 0.932 68 K CA -0.657 55.557 56.287 -0.121 0.000 0.794 68 K CB 3.838 36.298 32.500 -0.067 0.000 1.241 68 K HN -0.789 7.376 8.250 -0.141 0.000 0.428 69 L N 5.267 126.492 121.223 0.003 0.000 2.565 69 L HA 0.739 5.402 4.340 0.204 -0.201 0.261 69 L C -2.993 173.931 176.870 0.089 0.000 0.932 69 L CA 0.409 55.365 54.840 0.193 0.000 0.878 69 L CB 4.550 46.877 42.059 0.447 0.000 1.333 69 L HN 0.047 8.131 8.230 -0.242 0.000 0.409 70 S N 3.414 119.188 115.700 0.122 0.000 2.550 70 S HA 0.734 5.287 4.470 -0.060 -0.119 0.270 70 S C -1.968 172.759 174.600 0.212 0.000 1.145 70 S CA -0.768 57.461 58.200 0.049 0.000 0.852 70 S CB 2.961 66.144 63.200 -0.028 0.000 1.119 70 S HN 0.818 9.225 8.310 0.162 0.000 0.465 71 F N 0.119 120.075 119.950 0.010 0.000 2.650 71 F HA 0.610 5.361 4.527 0.176 -0.118 0.310 71 F C -2.507 173.395 175.800 0.170 0.000 1.112 71 F CA -1.198 56.890 58.000 0.147 0.000 0.986 71 F CB 3.255 42.383 39.000 0.213 0.000 1.285 71 F HN 0.246 8.365 8.300 -0.302 0.000 0.440 72 T N -1.729 112.959 114.554 0.225 0.000 2.899 72 T HA 0.139 4.469 4.350 -0.033 0.000 0.284 72 T C -1.012 173.886 174.700 0.331 0.000 1.004 72 T CA -0.625 61.546 62.100 0.118 0.000 1.043 72 T CB 1.378 70.300 68.868 0.090 0.000 1.013 72 T HN 0.604 8.940 8.240 0.353 0.116 0.518 73 W N 4.496 125.824 121.300 0.046 0.000 3.405 73 W HA 0.258 4.973 4.660 0.093 0.000 0.329 73 W C -2.567 174.019 176.519 0.111 0.000 1.142 73 W CA -0.974 56.457 57.345 0.143 0.000 1.235 73 W CB 2.839 32.500 29.460 0.335 0.000 1.341 73 W HN -0.201 8.108 8.180 0.216 0.000 0.481 74 D N 5.696 126.219 120.400 0.205 0.000 10.655 74 D HA -0.345 4.296 4.640 0.003 0.000 0.358 74 D C -0.323 175.927 176.300 -0.083 0.000 3.091 74 D CA 1.502 55.464 54.000 -0.064 0.000 2.547 74 D CB 0.772 41.397 40.800 -0.291 0.000 1.197 74 D HN -0.136 8.510 8.370 0.460 0.000 0.966 75 T N -3.186 111.284 114.554 -0.140 0.000 3.034 75 T HA 0.044 4.329 4.350 -0.108 0.000 0.248 75 T C 0.992 175.561 174.700 -0.218 0.000 1.040 75 T CA 1.060 63.076 62.100 -0.140 0.000 1.107 75 T CB 0.820 69.626 68.868 -0.103 0.000 0.932 75 T HN 0.359 8.502 8.240 -0.161 0.000 0.474 76 D N 3.828 124.033 120.400 -0.325 0.000 2.177 76 D HA -0.274 4.162 4.640 -0.340 0.000 0.189 76 D C 0.820 176.859 176.300 -0.436 0.000 1.002 76 D CA 2.415 56.148 54.000 -0.446 0.000 0.845 76 D CB 0.370 40.711 40.800 -0.764 0.000 0.960 76 D HN -0.537 7.821 8.370 -0.333 -0.187 0.447 77 G N -3.000 105.492 108.800 -0.513 0.000 2.906 77 G HA2 -0.148 3.667 3.960 -0.242 0.000 0.235 77 G HA3 -0.148 3.597 3.960 -0.358 0.000 0.235 77 G C -2.163 172.509 174.900 -0.380 0.000 3.666 77 G CA -0.281 44.592 45.100 -0.377 0.000 0.647 77 G HN 0.033 7.962 8.290 -0.602 0.000 0.417 78 W N 1.752 122.873 121.300 -0.299 0.000 2.499 78 W HA 0.575 4.947 4.660 -0.480 0.000 0.320 78 W C -1.886 174.535 176.519 -0.164 0.000 1.010 78 W CA -3.114 54.039 57.345 -0.320 0.000 1.267 78 W CB 0.988 30.244 29.460 -0.341 0.000 1.316 78 W HN -0.591 7.526 8.180 -0.104 0.000 0.431 79 S N 2.548 118.256 115.700 0.013 0.000 2.526 79 S HA 0.441 4.831 4.470 -0.133 0.000 0.293 79 S C -2.371 172.149 174.600 -0.133 0.000 1.092 79 S CA -0.924 57.214 58.200 -0.103 0.000 0.980 79 S CB 3.203 66.327 63.200 -0.128 0.000 1.048 79 S HN 0.159 8.422 8.310 -0.079 0.000 0.483 80 V N 3.108 122.775 119.914 -0.412 0.000 2.735 80 V HA 0.878 5.027 4.120 -0.266 -0.189 0.310 80 V C -2.254 173.459 176.094 -0.635 0.000 1.061 80 V CA -2.320 59.688 62.300 -0.486 0.000 0.913 80 V CB 3.551 35.026 31.823 -0.580 0.000 1.005 80 V HN -0.297 7.455 8.190 -0.731 0.000 0.428 81 T N 9.402 123.680 114.554 -0.460 0.000 2.841 81 T HA 0.523 4.741 4.350 -0.394 -0.104 0.283 81 T C -1.396 173.135 174.700 -0.282 0.000 1.000 81 T CA -0.765 61.130 62.100 -0.342 0.000 0.977 81 T CB 1.896 70.712 68.868 -0.087 0.000 0.979 81 T HN 0.606 8.536 8.240 -0.337 0.108 0.446 82 F N 3.989 123.908 119.950 -0.052 0.000 2.458 82 F HA 0.524 5.129 4.527 -0.112 -0.145 0.330 82 F C -0.995 174.585 175.800 -0.366 0.000 1.082 82 F CA -2.637 55.282 58.000 -0.136 0.000 0.995 82 F CB 2.827 41.812 39.000 -0.025 0.000 1.170 82 F HN 1.123 9.217 8.300 -0.134 0.125 0.478 83 H N 0.066 119.099 119.070 -0.062 0.000 2.924 83 H HA 0.361 5.042 4.556 -0.018 -0.136 0.333 83 H C -1.673 173.547 175.328 -0.180 0.000 0.979 83 H CA -0.840 55.157 56.048 -0.085 0.000 1.326 83 H CB 2.803 32.525 29.762 -0.066 0.000 1.600 83 H HN 0.640 8.871 8.280 -0.081 0.000 0.520 84 L N 3.477 124.674 121.223 -0.043 0.000 2.330 84 L HA 0.990 5.543 4.340 -0.040 -0.237 0.271 84 L C -1.166 175.673 176.870 -0.051 0.000 1.013 84 L CA -1.224 53.590 54.840 -0.043 0.000 0.816 84 L CB 4.026 46.097 42.059 0.020 0.000 1.287 84 L HN 0.511 8.710 8.230 -0.053 0.000 0.435 85 K N -2.573 117.810 120.400 -0.029 0.000 2.610 85 K HA 0.309 4.587 4.320 -0.070 0.000 0.274 85 K C -1.923 174.664 176.600 -0.021 0.000 1.049 85 K CA -0.543 55.721 56.287 -0.039 0.000 0.945 85 K CB 2.143 34.625 32.500 -0.029 0.000 1.313 85 K HN 0.198 8.450 8.250 0.004 0.000 0.463 86 E N 6.673 126.854 120.200 -0.030 0.000 2.413 86 E HA -0.220 4.132 4.350 0.004 0.000 0.263 86 E C -1.101 175.491 176.600 -0.013 0.000 1.015 86 E CA 1.074 57.466 56.400 -0.013 0.000 0.916 86 E CB 0.461 30.149 29.700 -0.019 0.000 0.947 86 E HN 0.534 8.862 8.360 -0.053 0.000 0.440 87 E N 5.259 125.456 120.200 -0.004 0.000 2.447 87 E HA 0.237 4.581 4.350 -0.010 0.000 0.258 87 E C -0.431 176.168 176.600 -0.002 0.000 0.916 87 E CA -1.865 54.531 56.400 -0.006 0.000 0.846 87 E CB 2.810 32.506 29.700 -0.008 0.000 1.517 87 E HN 0.776 9.025 8.360 0.003 0.113 0.418 88 E N -0.762 119.436 120.200 -0.003 0.000 2.016 88 E HA -0.291 4.059 4.350 -0.001 0.000 0.190 88 E C 1.721 178.322 176.600 0.003 0.000 0.985 88 E CA 2.872 59.272 56.400 -0.001 0.000 0.802 88 E CB 0.122 29.821 29.700 -0.002 0.000 0.762 88 E HN 0.317 8.674 8.360 -0.005 0.000 0.448 89 N N -0.989 117.712 118.700 0.002 0.000 2.094 89 N HA -0.171 4.573 4.740 0.006 0.000 0.191 89 N C 0.077 175.595 175.510 0.013 0.000 1.023 89 N CA 1.609 54.663 53.050 0.006 0.000 0.857 89 N CB -0.124 38.365 38.487 0.003 0.000 1.013 89 N HN 0.175 8.554 8.380 -0.001 0.000 0.426 90 G N -4.279 104.529 108.800 0.013 0.000 2.609 90 G HA2 0.016 3.990 3.960 0.024 0.000 0.082 90 G HA3 0.016 4.133 3.960 0.036 -0.135 0.082 90 G C -2.352 172.563 174.900 0.026 0.000 1.075 90 G CA 0.052 45.167 45.100 0.025 0.000 1.172 90 G HN -0.841 7.456 8.290 0.007 -0.003 0.532 91 T N 4.562 119.142 114.554 0.044 0.000 2.859 91 T HA 0.351 4.722 4.350 0.036 0.000 0.281 91 T C -1.587 173.130 174.700 0.028 0.000 1.005 91 T CA 0.098 62.229 62.100 0.052 0.000 1.025 91 T CB 1.735 70.662 68.868 0.098 0.000 0.977 91 T HN -0.077 8.200 8.240 0.061 0.000 0.458 92 I N 3.781 124.367 120.570 0.028 0.000 2.354 92 I HA 0.249 4.398 4.170 -0.035 0.000 0.292 92 I C -2.018 174.143 176.117 0.073 0.000 0.989 92 I CA -2.766 58.540 61.300 0.010 0.000 1.188 92 I CB 0.423 38.419 38.000 -0.008 0.000 1.342 92 I HN 0.362 8.483 8.210 0.029 0.107 0.457 93 F N 9.356 129.238 119.950 -0.113 0.000 2.477 93 F HA 0.569 5.263 4.527 0.033 -0.147 0.335 93 F C -2.167 173.633 175.800 0.001 0.000 1.130 93 F CA -1.765 56.207 58.000 -0.046 0.000 0.948 93 F CB 3.992 42.920 39.000 -0.121 0.000 1.154 93 F HN 0.428 8.748 8.300 0.033 0.000 0.439 94 T N 10.670 125.148 114.554 -0.126 0.000 2.812 94 T HA 0.568 5.141 4.350 0.135 -0.141 0.282 94 T C -2.012 172.721 174.700 0.056 0.000 0.990 94 T CA -0.114 62.004 62.100 0.029 0.000 0.960 94 T CB 2.290 71.161 68.868 0.005 0.000 0.948 94 T HN 0.928 8.865 8.240 -0.326 0.107 0.438 95 I N 7.279 127.977 120.570 0.214 0.000 2.525 95 I HA 0.623 5.122 4.170 0.344 -0.123 0.301 95 I C -2.672 173.489 176.117 0.073 0.000 0.992 95 I CA -3.285 58.176 61.300 0.267 0.000 1.162 95 I CB 3.267 41.545 38.000 0.464 0.000 1.332 95 I HN 0.906 9.151 8.210 0.236 0.107 0.458 96 V N 6.895 126.790 119.914 -0.032 0.000 2.509 96 V HA 0.225 4.436 4.120 -0.060 -0.127 0.289 96 V C -2.431 173.573 176.094 -0.150 0.000 1.026 96 V CA -0.529 61.727 62.300 -0.074 0.000 0.872 96 V CB 1.950 33.759 31.823 -0.025 0.000 1.017 96 V HN 0.192 8.328 8.190 -0.089 0.000 0.436 97 H N 9.659 128.544 119.070 -0.309 0.000 2.551 97 H HA 0.596 5.060 4.556 -0.377 -0.134 0.321 97 H C -1.366 173.903 175.328 -0.098 0.000 1.028 97 H CA -2.364 53.479 56.048 -0.342 0.000 1.215 97 H CB 2.420 31.802 29.762 -0.633 0.000 1.414 97 H HN 1.077 9.171 8.280 -0.089 0.132 0.480 98 S N 7.333 122.839 115.700 -0.324 0.000 2.632 98 S HA 0.405 4.812 4.470 -0.105 0.000 0.289 98 S C -1.532 172.758 174.600 -0.517 0.000 1.115 98 S CA -0.958 57.074 58.200 -0.280 0.000 0.889 98 S CB 3.752 66.880 63.200 -0.120 0.000 1.116 98 S HN -0.018 8.125 8.310 -0.279 0.000 0.486 99 G N 1.421 109.906 108.800 -0.525 0.000 2.465 99 G HA2 -0.135 3.658 3.960 -0.280 0.000 0.230 99 G HA3 -0.135 3.730 3.960 -0.405 -0.148 0.230 99 G C -2.205 172.333 174.900 -0.603 0.000 1.324 99 G CA -0.087 44.725 45.100 -0.479 0.000 0.878 99 G HN 0.327 8.438 8.290 -0.298 0.000 0.497 100 W N -2.772 118.519 121.300 -0.014 0.000 2.894 100 W HA 0.374 5.077 4.660 0.072 0.000 0.345 100 W C -1.116 175.388 176.519 -0.026 0.000 1.152 100 W CA -2.011 55.340 57.345 0.010 0.000 1.089 100 W CB 2.172 31.622 29.460 -0.017 0.000 1.454 100 W HN -0.710 7.486 8.180 0.026 0.000 0.589 101 K N -0.756 119.786 120.400 0.238 0.000 2.307 101 K HA 0.380 4.745 4.320 0.076 0.000 0.239 101 K C -0.859 175.802 176.600 0.101 0.000 1.083 101 K CA -1.702 54.652 56.287 0.112 0.000 0.913 101 K CB 2.814 35.351 32.500 0.062 0.000 1.322 101 K HN 0.032 8.473 8.250 0.319 0.000 0.514 102 Q N -0.542 119.293 119.800 0.058 0.000 2.369 102 Q HA -0.130 4.232 4.340 0.037 0.000 0.295 102 Q C 0.744 176.773 176.000 0.049 0.000 1.075 102 Q CA 0.740 56.569 55.803 0.042 0.000 0.941 102 Q CB 0.919 29.672 28.738 0.026 0.000 1.260 102 Q HN 0.119 8.414 8.270 0.042 0.000 0.417 103 G N 3.362 112.183 108.800 0.035 0.000 2.789 103 G HA2 -0.200 3.784 3.960 0.040 0.000 0.281 103 G HA3 -0.200 3.773 3.960 0.021 0.000 0.281 103 G C -1.423 173.494 174.900 0.030 0.000 0.708 103 G CA 0.489 45.607 45.100 0.031 0.000 2.067 103 G HN 0.468 8.774 8.290 0.026 0.000 0.554 104 D N 0.958 121.381 120.400 0.039 0.000 1.149 104 D HA 0.020 4.787 4.640 0.030 -0.109 0.854 104 D C -0.594 175.730 176.300 0.040 0.000 0.417 104 D CA 0.819 54.839 54.000 0.033 0.000 1.373 104 D CB 1.620 42.434 40.800 0.024 0.000 1.015 104 D HN 0.113 8.492 8.370 0.052 0.022 0.406 105 T N 2.134 116.715 114.554 0.045 0.000 2.829 105 T HA -0.159 4.212 4.350 0.034 0.000 0.293 105 T C -0.141 174.598 174.700 0.064 0.000 0.970 105 T CA 0.609 62.736 62.100 0.045 0.000 1.168 105 T CB 0.292 69.184 68.868 0.039 0.000 0.911 105 T HN -0.438 7.829 8.240 0.045 0.000 0.535 106 K N 5.287 125.720 120.400 0.055 0.000 2.202 106 K HA 0.175 4.549 4.320 0.089 0.000 0.264 106 K C -0.416 176.227 176.600 0.071 0.000 1.010 106 K CA -0.848 55.481 56.287 0.070 0.000 0.940 106 K CB 1.031 33.566 32.500 0.057 0.000 0.983 106 K HN 0.105 8.380 8.250 0.042 0.000 0.475 107 V N 4.618 124.593 119.914 0.102 0.000 2.432 107 V HA 0.076 4.220 4.120 0.041 0.000 0.271 107 V C -0.248 175.878 176.094 0.053 0.000 1.046 107 V CA -0.193 62.157 62.300 0.084 0.000 0.945 107 V CB 0.028 31.955 31.823 0.173 0.000 0.992 107 V HN -0.163 8.103 8.190 0.127 0.000 0.471 108 E N 6.813 127.015 120.200 0.004 0.000 2.216 108 E HA -0.201 4.166 4.350 0.029 0.000 0.192 108 E C 0.331 176.937 176.600 0.009 0.000 0.988 108 E CA 1.712 58.116 56.400 0.006 0.000 0.834 108 E CB -0.134 29.555 29.700 -0.017 0.000 0.772 108 E HN 0.584 8.927 8.360 -0.029 0.000 0.479 109 K N 0.611 120.988 120.400 -0.038 0.000 1.979 109 K HA -0.136 4.176 4.320 -0.013 0.000 0.213 109 K C 0.837 177.486 176.600 0.081 0.000 1.036 109 K CA 1.292 57.553 56.287 -0.043 0.000 0.954 109 K CB -0.015 32.345 32.500 -0.234 0.000 0.743 109 K HN 0.067 8.246 8.250 -0.085 0.020 0.443 110 A N -2.941 119.935 122.820 0.093 0.000 1.842 110 A HA -0.159 4.263 4.320 0.170 0.000 0.217 110 A C 0.270 178.009 177.584 0.258 0.000 1.206 110 A CA 1.898 54.059 52.037 0.207 0.000 0.630 110 A CB 0.221 19.389 19.000 0.280 0.000 0.839 110 A HN 0.275 8.457 8.150 0.054 0.000 0.447 111 G N -2.799 106.114 108.800 0.189 0.000 4.020 111 G HA2 -0.185 3.877 3.960 0.123 0.000 0.195 111 G HA3 -0.185 3.874 3.960 0.166 0.000 0.195 111 G C -1.264 173.715 174.900 0.132 0.000 1.819 111 G CA -0.503 44.688 45.100 0.152 0.000 1.109 111 G HN -0.363 8.033 8.290 0.177 0.000 0.385 112 A N 1.501 124.409 122.820 0.147 0.000 2.366 112 A HA 0.091 4.470 4.320 0.099 0.000 0.250 112 A C -0.145 177.518 177.584 0.132 0.000 1.099 112 A CA -0.322 51.789 52.037 0.123 0.000 0.794 112 A CB 0.607 19.678 19.000 0.119 0.000 1.056 112 A HN -0.210 8.044 8.150 0.173 0.000 0.499 113 E N -1.575 118.687 120.200 0.103 0.000 2.458 113 E HA -0.256 4.156 4.350 0.104 0.000 0.264 113 E C 1.306 177.994 176.600 0.146 0.000 1.097 113 E CA 1.633 58.095 56.400 0.103 0.000 0.973 113 E CB 0.443 30.183 29.700 0.066 0.000 0.963 113 E HN 0.266 8.675 8.360 0.082 0.000 0.451 114 S N 3.700 119.502 115.700 0.170 0.000 2.355 114 S HA -0.371 4.348 4.470 0.414 0.000 0.222 114 S C 1.471 176.109 174.600 0.063 0.000 1.031 114 S CA 4.126 62.483 58.200 0.261 0.000 0.993 114 S CB -0.316 63.079 63.200 0.324 0.000 0.859 114 S HN 0.295 8.691 8.310 0.144 0.000 0.453 115 A N 1.038 123.872 122.820 0.022 0.000 1.865 115 A HA -0.272 4.023 4.320 -0.042 0.000 0.217 115 A C 1.699 179.228 177.584 -0.091 0.000 1.191 115 A CA 3.413 55.428 52.037 -0.036 0.000 0.623 115 A CB -1.284 17.710 19.000 -0.010 0.000 0.826 115 A HN 0.371 8.553 8.150 0.053 0.000 0.444 116 V N -0.627 119.269 119.914 -0.030 0.000 2.252 116 V HA -0.467 3.615 4.120 -0.063 0.000 0.249 116 V C 2.566 178.648 176.094 -0.020 0.000 1.056 116 V CA 4.249 66.533 62.300 -0.027 0.000 1.022 116 V CB -0.407 31.429 31.823 0.022 0.000 0.641 116 V HN -0.080 8.116 8.190 0.010 0.000 0.445 117 V N -0.010 119.936 119.914 0.053 0.000 2.407 117 V HA -0.592 3.602 4.120 0.123 0.000 0.248 117 V C 1.512 177.621 176.094 0.025 0.000 1.055 117 V CA 4.610 66.985 62.300 0.124 0.000 1.049 117 V CB -0.476 31.532 31.823 0.308 0.000 0.662 117 V HN 0.221 8.467 8.190 0.093 0.000 0.455 118 H N 0.769 119.608 119.070 -0.384 0.000 2.289 118 H HA -0.414 3.498 4.556 -1.074 0.000 0.296 118 H C 1.989 177.161 175.328 -0.260 0.000 1.091 118 H CA 3.758 59.355 56.048 -0.750 0.000 1.274 118 H CB -0.562 28.547 29.762 -1.089 0.000 1.364 118 H HN 0.632 8.584 8.280 -0.198 0.209 0.490 119 E N -0.429 119.429 120.200 -0.570 0.000 2.051 119 E HA -0.391 3.581 4.350 -0.631 0.000 0.192 119 E C 2.786 179.321 176.600 -0.108 0.000 0.991 119 E CA 3.325 59.459 56.400 -0.444 0.000 0.799 119 E CB -0.248 29.244 29.700 -0.346 0.000 0.748 119 E HN 0.141 8.207 8.360 -0.491 0.000 0.449 120 R N -0.648 119.831 120.500 -0.035 0.000 2.070 120 R HA -0.315 4.050 4.340 0.042 0.000 0.232 120 R C 2.682 179.057 176.300 0.126 0.000 1.138 120 R CA 3.454 59.585 56.100 0.052 0.000 0.936 120 R CB -0.053 30.289 30.300 0.071 0.000 0.839 120 R HN 0.072 8.248 8.270 -0.057 0.060 0.429 121 M N -0.809 118.903 119.600 0.186 0.000 2.065 121 M HA -0.338 4.270 4.480 0.213 0.000 0.259 121 M C 2.191 178.770 176.300 0.465 0.000 1.069 121 M CA 3.310 58.802 55.300 0.321 0.000 1.110 121 M CB -0.853 32.037 32.600 0.482 0.000 1.328 121 M HN 0.730 8.989 8.290 0.164 0.129 0.405 122 D N -0.372 120.281 120.400 0.423 0.000 2.116 122 D HA -0.374 4.604 4.640 0.563 0.000 0.193 122 D C 2.245 178.764 176.300 0.364 0.000 0.998 122 D CA 3.560 57.812 54.000 0.419 0.000 0.836 122 D CB -0.165 40.792 40.800 0.262 0.000 0.951 122 D HN 0.547 8.988 8.370 0.318 0.120 0.449 123 R N -1.203 119.435 120.500 0.231 0.000 2.115 123 R HA -0.434 4.038 4.340 0.219 0.000 0.239 123 R C 2.637 179.086 176.300 0.248 0.000 1.133 123 R CA 3.872 60.096 56.100 0.207 0.000 0.935 123 R CB -0.196 30.178 30.300 0.123 0.000 0.853 123 R HN 0.309 8.562 8.270 0.157 0.111 0.433 124 G N -2.818 106.107 108.800 0.209 0.000 2.432 124 G HA2 -0.265 3.908 3.960 0.136 0.000 0.219 124 G HA3 -0.265 3.753 3.960 0.096 0.000 0.219 124 G C 1.319 176.356 174.900 0.229 0.000 1.135 124 G CA 1.447 46.643 45.100 0.160 0.000 0.767 124 G HN -0.176 8.225 8.290 0.186 0.000 0.550 125 W N 2.164 123.614 121.300 0.250 0.000 2.335 125 W HA -0.521 4.330 4.660 0.318 0.000 0.311 125 W C 1.547 178.274 176.519 0.346 0.000 1.213 125 W CA 4.704 62.230 57.345 0.303 0.000 1.274 125 W CB 0.085 29.722 29.460 0.295 0.000 1.148 125 W HN 0.788 9.038 8.180 0.477 0.216 0.498 126 H N -1.102 118.237 119.070 0.448 0.000 2.276 126 H HA -0.379 4.382 4.556 0.342 0.000 0.301 126 H C 1.125 176.602 175.328 0.249 0.000 1.073 126 H CA 3.040 59.277 56.048 0.314 0.000 1.311 126 H CB 0.434 30.331 29.762 0.226 0.000 1.379 126 H HN 0.275 8.728 8.280 0.601 0.188 0.494 127 D N -2.135 118.392 120.400 0.211 0.000 2.190 127 D HA -0.239 4.395 4.640 -0.009 0.000 0.200 127 D C 2.086 178.452 176.300 0.110 0.000 0.992 127 D CA 2.780 56.832 54.000 0.087 0.000 0.854 127 D CB 0.425 41.282 40.800 0.095 0.000 0.936 127 D HN 0.053 8.589 8.370 0.278 0.000 0.462 128 L N -0.109 121.234 121.223 0.200 0.000 1.994 128 L HA -0.208 4.237 4.340 0.176 0.000 0.208 128 L C 0.174 177.162 176.870 0.197 0.000 1.071 128 L CA 2.796 57.775 54.840 0.232 0.000 0.745 128 L CB 0.382 42.609 42.059 0.280 0.000 0.892 128 L HN 0.331 8.499 8.230 0.259 0.217 0.431 129 V N -4.904 115.172 119.914 0.270 0.000 3.219 129 V HA -0.070 3.975 4.120 -0.124 0.000 0.377 129 V C -0.910 175.299 176.094 0.192 0.000 1.275 129 V CA 0.620 63.002 62.300 0.137 0.000 1.366 129 V CB -0.842 31.156 31.823 0.292 0.000 1.282 129 V HN -0.448 7.928 8.190 0.412 0.061 0.487 130 N N -0.929 117.840 118.700 0.114 0.000 2.782 130 N HA 0.024 4.847 4.740 0.139 0.000 0.244 130 N C -0.275 175.275 175.510 0.067 0.000 1.029 130 N CA 1.834 54.932 53.050 0.079 0.000 0.999 130 N CB 1.901 40.322 38.487 -0.110 0.000 1.634 130 N HN -0.825 7.426 8.380 0.061 0.166 0.478 131 E N -1.969 118.192 120.200 -0.066 0.000 2.475 131 E HA 0.157 4.361 4.350 -0.243 0.000 0.205 131 E C 1.938 178.407 176.600 -0.217 0.000 0.822 131 E CA 1.760 58.062 56.400 -0.163 0.000 1.240 131 E CB 0.479 30.127 29.700 -0.088 0.000 1.222 131 E HN -0.569 7.767 8.360 -0.040 0.000 0.581 132 R N 0.168 120.604 120.500 -0.106 0.000 2.133 132 R HA -0.278 4.039 4.340 -0.038 0.000 0.247 132 R C 2.002 178.212 176.300 -0.150 0.000 1.151 132 R CA 3.177 59.248 56.100 -0.049 0.000 0.971 132 R CB -0.387 29.960 30.300 0.077 0.000 0.866 132 R HN -0.691 7.550 8.270 -0.047 0.000 0.447 133 L N -1.854 119.157 121.223 -0.353 0.000 2.102 133 L HA -0.126 3.800 4.340 -0.690 0.000 0.202 133 L C 1.699 178.046 176.870 -0.870 0.000 1.076 133 L CA 2.079 56.481 54.840 -0.731 0.000 0.761 133 L CB -0.103 41.328 42.059 -1.046 0.000 0.921 133 L HN -0.351 7.689 8.230 -0.300 0.009 0.444 134 R N -0.774 119.026 120.500 -1.167 0.000 2.139 134 R HA -0.459 2.758 4.340 -1.873 0.000 0.243 134 R C 1.948 177.847 176.300 -0.669 0.000 1.145 134 R CA 3.272 58.554 56.100 -1.363 0.000 0.976 134 R CB -0.730 28.830 30.300 -1.233 0.000 0.866 134 R HN -0.100 7.490 8.270 -1.033 0.059 0.449 135 Q N -2.571 116.946 119.800 -0.471 0.000 2.226 135 Q HA -0.231 3.946 4.340 -0.273 0.000 0.204 135 Q C 1.457 177.241 176.000 -0.361 0.000 0.975 135 Q CA 2.512 58.127 55.803 -0.312 0.000 0.866 135 Q CB -0.135 28.488 28.738 -0.193 0.000 0.915 135 Q HN 0.249 8.139 8.270 -0.445 0.113 0.440 136 I N -2.639 117.657 120.570 -0.456 0.000 2.614 136 I HA -0.221 3.478 4.170 -0.786 0.000 0.258 136 I C 1.098 176.947 176.117 -0.446 0.000 1.189 136 I CA 1.854 62.814 61.300 -0.568 0.000 1.462 136 I CB 0.149 37.845 38.000 -0.506 0.000 1.092 136 I HN -0.070 7.687 8.210 -0.484 0.163 0.442 137 V N -7.525 112.159 119.914 -0.384 0.000 3.635 137 V HA 0.219 4.207 4.120 -0.221 0.000 0.266 137 V C 0.275 176.241 176.094 -0.214 0.000 1.316 137 V CA 0.097 62.239 62.300 -0.264 0.000 1.060 137 V CB 1.886 33.573 31.823 -0.228 0.000 0.820 137 V HN -0.520 7.231 8.190 -0.454 0.166 0.447 138 E N 0.000 120.050 120.200 -0.250 0.000 2.725 138 E HA 0.000 4.267 4.350 -0.139 0.000 0.291 138 E CA 0.000 56.292 56.400 -0.180 0.000 0.976 138 E CB 0.000 29.587 29.700 -0.189 0.000 0.812 138 E HN 0.000 7.943 8.360 -0.320 0.225 0.440