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 3ohe_1_B DATA FIRST_RESID 0 DATA SEQUENCE GXFQLHERLA ADTHKLGESR LCDVLLXNDN TWPWVILVPR VSGIREIYEL DATA SEQUENCE PNEQQQRLLF ESSALSEGXX ELFGGDKXNV AALGNXVPQL HLHHIVRYQG DATA SEQUENCE DPAWPGPVWG KQPPVPYTEE QQASVKAKLQ PLLEQLA 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 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 0 G C 0.000 174.939 174.900 0.065 0.000 0.946 0 G CA 0.000 45.127 45.100 0.045 0.000 0.502 3 Q N 6.051 125.306 119.800 -0.909 0.000 2.274 3 Q HA 0.513 4.853 4.340 -0.000 0.000 0.268 3 Q C -1.741 173.654 176.000 -1.008 0.000 1.015 3 Q CA -1.134 54.204 55.803 -0.774 0.000 0.775 3 Q CB 2.083 30.612 28.738 -0.349 0.000 1.256 3 Q HN 0.867 nan 8.270 nan 0.000 0.442 4 L N 4.468 125.189 121.223 -0.836 0.000 2.540 4 L HA 0.042 4.382 4.340 -0.000 0.000 0.276 4 L C -0.116 176.635 176.870 -0.199 0.000 1.212 4 L CA 0.601 55.206 54.840 -0.392 0.000 0.893 4 L CB 0.278 42.290 42.059 -0.078 0.000 1.138 4 L HN 0.666 nan 8.230 nan 0.000 0.491 5 H N 3.389 122.345 119.070 -0.190 0.000 2.928 5 H HA -0.042 4.514 4.556 -0.000 0.000 0.338 5 H C 0.853 176.114 175.328 -0.112 0.000 1.047 5 H CA 0.565 56.532 56.048 -0.135 0.000 1.435 5 H CB 1.008 30.709 29.762 -0.101 0.000 1.428 5 H HN 0.880 nan 8.280 nan 0.000 0.590 6 E N 4.461 124.516 120.200 -0.243 0.000 2.118 6 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 6 E C 2.060 178.684 176.600 0.041 0.000 0.992 6 E CA 1.598 57.933 56.400 -0.108 0.000 0.804 6 E CB -0.088 29.508 29.700 -0.173 0.000 0.741 6 E HN 0.540 nan 8.360 nan 0.000 0.458 7 R N 0.674 121.333 120.500 0.266 0.000 2.075 7 R HA 0.073 4.413 4.340 -0.000 0.000 0.232 7 R C 2.157 178.476 176.300 0.033 0.000 1.126 7 R CA 1.341 57.531 56.100 0.151 0.000 0.963 7 R CB -0.583 29.811 30.300 0.156 0.000 0.858 7 R HN 0.369 nan 8.270 nan 0.000 0.435 8 L N -0.096 121.136 121.223 0.015 0.000 2.046 8 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 8 L C 2.498 179.334 176.870 -0.056 0.000 1.077 8 L CA 1.397 56.183 54.840 -0.089 0.000 0.747 8 L CB -0.625 41.352 42.059 -0.136 0.000 0.896 8 L HN 0.348 nan 8.230 nan 0.000 0.432 9 A N -0.060 122.744 122.820 -0.027 0.000 1.902 9 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 9 A C 2.496 180.043 177.584 -0.061 0.000 1.181 9 A CA 1.765 53.779 52.037 -0.038 0.000 0.623 9 A CB -0.704 18.275 19.000 -0.035 0.000 0.818 9 A HN 0.409 nan 8.150 nan 0.000 0.443 10 A N -0.536 122.254 122.820 -0.051 0.000 1.969 10 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 10 A C 1.541 179.067 177.584 -0.096 0.000 1.169 10 A CA 1.741 53.742 52.037 -0.061 0.000 0.635 10 A CB -0.351 18.629 19.000 -0.032 0.000 0.810 10 A HN 0.405 nan 8.150 nan 0.000 0.445 11 D N -0.658 119.683 120.400 -0.098 0.000 2.339 11 D HA 0.090 4.730 4.640 -0.000 0.000 0.217 11 D C 0.724 176.916 176.300 -0.179 0.000 1.050 11 D CA 1.173 55.100 54.000 -0.121 0.000 0.856 11 D CB 0.272 41.014 40.800 -0.098 0.000 0.922 11 D HN 0.593 nan 8.370 nan 0.000 0.518 12 T N -2.836 111.596 114.554 -0.204 0.000 2.865 12 T HA 0.376 4.726 4.350 -0.000 0.000 0.294 12 T C -0.626 173.877 174.700 -0.328 0.000 1.119 12 T CA -0.882 61.090 62.100 -0.213 0.000 1.007 12 T CB 2.337 71.140 68.868 -0.108 0.000 1.225 12 T HN -0.112 nan 8.240 nan 0.000 0.515 13 H N 0.847 119.898 119.070 -0.030 0.000 2.481 13 H HA 0.417 4.973 4.556 -0.000 0.000 0.333 13 H C -0.193 175.120 175.328 -0.024 0.000 1.066 13 H CA -0.696 55.333 56.048 -0.031 0.000 1.209 13 H CB 1.754 31.480 29.762 -0.059 0.000 1.445 13 H HN 0.665 nan 8.280 nan 0.000 0.488 14 K N 3.832 124.294 120.400 0.104 0.000 2.383 14 K HA 0.087 4.407 4.320 -0.000 0.000 0.286 14 K C 0.660 177.296 176.600 0.058 0.000 1.051 14 K CA -0.184 56.144 56.287 0.068 0.000 0.974 14 K CB 0.425 32.961 32.500 0.059 0.000 0.968 14 K HN 0.550 nan 8.250 nan 0.000 0.475 15 L N 3.093 124.344 121.223 0.047 0.000 2.162 15 L HA 0.175 4.515 4.340 -0.000 0.000 0.205 15 L C 1.248 178.134 176.870 0.027 0.000 1.086 15 L CA 0.814 55.672 54.840 0.031 0.000 0.778 15 L CB -0.042 42.037 42.059 0.033 0.000 0.928 15 L HN 1.017 nan 8.230 nan 0.000 0.446 16 G N -0.853 107.966 108.800 0.032 0.000 2.367 16 G HA2 0.145 4.105 3.960 -0.000 0.000 0.272 16 G HA3 0.145 4.105 3.960 -0.000 0.000 0.272 16 G C -1.669 173.249 174.900 0.029 0.000 1.271 16 G CA -0.744 44.373 45.100 0.028 0.000 0.893 16 G HN -0.003 nan 8.290 nan 0.000 0.485 17 E N -0.295 119.918 120.200 0.022 0.000 2.288 17 E HA 0.604 4.953 4.350 -0.000 0.000 0.268 17 E C 0.024 176.632 176.600 0.013 0.000 0.885 17 E CA -0.549 55.860 56.400 0.015 0.000 0.767 17 E CB 2.240 31.946 29.700 0.010 0.000 1.220 17 E HN 0.698 nan 8.360 nan 0.000 0.427 18 S N 1.208 116.913 115.700 0.009 0.000 2.666 18 S HA 0.305 4.775 4.470 -0.000 0.000 0.279 18 S C 1.074 175.679 174.600 0.008 0.000 1.149 18 S CA -0.643 57.568 58.200 0.017 0.000 1.020 18 S CB 1.377 64.592 63.200 0.025 0.000 1.127 18 S HN 0.644 nan 8.310 nan 0.000 0.537 19 R N -1.055 119.456 120.500 0.018 0.000 2.105 19 R HA -0.040 4.299 4.340 -0.000 0.000 0.239 19 R C 1.839 178.129 176.300 -0.017 0.000 1.135 19 R CA 1.479 57.580 56.100 0.002 0.000 0.967 19 R CB -0.448 29.855 30.300 0.005 0.000 0.861 19 R HN 0.638 nan 8.270 nan 0.000 0.442 20 L N -1.084 120.129 121.223 -0.017 0.000 2.537 20 L HA 0.255 4.594 4.340 -0.000 0.000 0.224 20 L C -0.427 176.387 176.870 -0.095 0.000 1.065 20 L CA 0.588 55.399 54.840 -0.048 0.000 0.860 20 L CB 0.884 42.930 42.059 -0.022 0.000 1.086 20 L HN 0.085 nan 8.230 nan 0.000 0.482 21 C N -0.325 118.934 119.300 -0.068 0.000 2.779 21 C HA 0.507 4.967 4.460 -0.000 0.000 0.314 21 C C -0.633 174.322 174.990 -0.057 0.000 1.231 21 C CA -1.276 57.691 59.018 -0.086 0.000 1.652 21 C CB 1.608 29.332 27.740 -0.026 0.000 2.198 21 C HN 0.178 nan 8.230 nan 0.000 0.483 22 D N 1.294 121.666 120.400 -0.047 0.000 2.390 22 D HA 0.331 4.971 4.640 -0.000 0.000 0.249 22 D C -0.476 175.848 176.300 0.040 0.000 1.144 22 D CA 0.294 54.311 54.000 0.029 0.000 0.880 22 D CB 1.003 41.864 40.800 0.101 0.000 1.182 22 D HN 0.231 nan 8.370 nan 0.000 0.451 23 V N 4.416 124.355 119.914 0.041 0.000 2.311 23 V HA 0.304 4.424 4.120 -0.000 0.000 0.275 23 V C 0.185 176.313 176.094 0.056 0.000 1.022 23 V CA -0.638 61.689 62.300 0.045 0.000 0.830 23 V CB 0.638 32.479 31.823 0.031 0.000 1.012 23 V HN 0.289 nan 8.190 nan 0.000 0.452 24 L N 5.377 126.642 121.223 0.069 0.000 2.322 24 L HA 0.586 4.926 4.340 -0.000 0.000 0.281 24 L C -0.204 176.706 176.870 0.067 0.000 1.014 24 L CA -0.657 54.218 54.840 0.058 0.000 0.815 24 L CB 1.862 43.945 42.059 0.040 0.000 1.247 24 L HN 0.457 nan 8.230 nan 0.000 0.421 28 D N 0.435 120.919 120.400 0.139 0.000 2.616 28 D HA 0.235 4.875 4.640 -0.000 0.000 0.238 28 D C 0.378 176.648 176.300 -0.049 0.000 1.354 28 D CA -0.357 53.664 54.000 0.036 0.000 0.970 28 D CB 0.728 41.602 40.800 0.123 0.000 1.369 28 D HN 0.326 nan 8.370 nan 0.000 0.585 29 N N 1.759 120.190 118.700 -0.448 0.000 2.449 29 N HA -0.060 4.680 4.740 -0.000 0.000 0.191 29 N C 0.731 176.058 175.510 -0.304 0.000 1.161 29 N CA 0.276 52.915 53.050 -0.685 0.000 0.863 29 N CB -0.031 37.824 38.487 -1.053 0.000 0.980 29 N HN 0.201 nan 8.380 nan 0.000 0.458 30 T N -0.742 113.649 114.554 -0.272 0.000 2.821 30 T HA -0.003 4.347 4.350 -0.000 0.000 0.267 30 T C -0.028 174.351 174.700 -0.535 0.000 1.046 30 T CA 0.823 62.596 62.100 -0.545 0.000 1.139 30 T CB -0.036 68.228 68.868 -1.006 0.000 0.871 30 T HN 0.347 nan 8.240 nan 0.000 0.454 31 W N 0.608 121.966 121.300 0.097 0.000 3.032 31 W HA 0.372 5.032 4.660 -0.000 0.000 0.335 31 W C -3.107 173.482 176.519 0.116 0.000 1.154 31 W CA -2.908 54.493 57.345 0.094 0.000 1.204 31 W CB 0.672 30.153 29.460 0.035 0.000 1.416 31 W HN -0.165 nan 8.180 nan 0.000 0.521 32 P HA 0.014 nan 4.420 nan 0.000 0.276 32 P C -0.666 176.713 177.300 0.131 0.000 1.264 32 P CA 0.707 63.749 63.100 -0.098 0.000 0.769 32 P CB 0.374 31.537 31.700 -0.895 0.000 0.840 33 W N 5.749 127.076 121.300 0.045 0.000 3.036 33 W HA 0.421 5.081 4.660 -0.000 0.000 0.337 33 W C -2.231 174.389 176.519 0.168 0.000 1.055 33 W CA -0.675 56.746 57.345 0.127 0.000 1.248 33 W CB 1.247 30.812 29.460 0.176 0.000 1.335 33 W HN -0.014 nan 8.180 nan 0.000 0.446 34 V N 7.525 127.775 119.914 0.561 0.000 2.735 34 V HA 0.536 4.656 4.120 -0.000 0.000 0.310 34 V C -0.110 176.274 176.094 0.484 0.000 1.061 34 V CA -0.879 61.646 62.300 0.376 0.000 0.913 34 V CB 2.267 34.225 31.823 0.225 0.000 1.005 34 V HN 0.352 nan 8.190 nan 0.000 0.428 35 I N 4.747 125.516 120.570 0.332 0.000 2.433 35 I HA 0.455 4.625 4.170 -0.000 0.000 0.292 35 I C -0.763 175.476 176.117 0.203 0.000 1.001 35 I CA -0.505 60.981 61.300 0.310 0.000 1.119 35 I CB 1.840 39.964 38.000 0.207 0.000 1.289 35 I HN 0.315 nan 8.210 nan 0.000 0.438 36 L N 6.827 128.184 121.223 0.223 0.000 2.264 36 L HA 0.487 4.827 4.340 -0.000 0.000 0.289 36 L C -0.654 176.286 176.870 0.118 0.000 1.044 36 L CA -0.794 54.127 54.840 0.135 0.000 0.807 36 L CB 1.526 43.664 42.059 0.132 0.000 1.192 36 L HN 0.297 nan 8.230 nan 0.000 0.425 37 V N 4.728 124.690 119.914 0.081 0.000 2.304 37 V HA 0.281 4.401 4.120 -0.000 0.000 0.278 37 V C -2.209 173.858 176.094 -0.045 0.000 1.018 37 V CA -1.938 60.411 62.300 0.081 0.000 0.814 37 V CB 1.258 33.174 31.823 0.156 0.000 1.021 37 V HN 0.581 nan 8.190 nan 0.000 0.440 38 P HA 0.133 nan 4.420 nan 0.000 0.264 38 P C -0.023 177.007 177.300 -0.450 0.000 1.193 38 P CA 0.091 63.090 63.100 -0.169 0.000 0.763 38 P CB 0.330 31.980 31.700 -0.083 0.000 0.810 39 R N 2.291 122.402 120.500 -0.648 0.000 4.496 39 R HA 0.263 4.602 4.340 -0.000 0.000 0.211 39 R C -0.692 175.219 176.300 -0.649 0.000 1.738 39 R CA -0.173 55.138 56.100 -1.315 0.000 1.528 39 R CB -0.240 29.557 30.300 -0.838 0.000 1.414 39 R HN 0.271 nan 8.270 nan 0.000 0.812 40 V N 0.925 120.623 119.914 -0.360 0.000 2.623 40 V HA 0.156 4.276 4.120 -0.000 0.000 0.304 40 V C 0.209 176.419 176.094 0.193 0.000 1.054 40 V CA -1.045 61.243 62.300 -0.019 0.000 0.882 40 V CB 2.037 33.839 31.823 -0.034 0.000 1.002 40 V HN 0.561 nan 8.190 nan 0.000 0.424 41 S N 2.795 118.630 115.700 0.226 0.000 2.572 41 S HA 0.500 4.969 4.470 -0.000 0.000 0.279 41 S C 1.192 175.866 174.600 0.122 0.000 1.341 41 S CA 0.456 58.782 58.200 0.210 0.000 1.043 41 S CB 1.073 64.353 63.200 0.134 0.000 0.887 41 S HN 2.479 nan 8.310 nan 0.000 0.516 42 G N 1.259 110.121 108.800 0.103 0.000 2.160 42 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.251 42 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.251 42 G C -0.073 174.852 174.900 0.042 0.000 1.008 42 G CA 0.147 45.283 45.100 0.060 0.000 0.724 42 G HN 0.721 nan 8.290 nan 0.000 0.514 43 I N -0.051 120.549 120.570 0.049 0.000 2.321 43 I HA 0.390 4.559 4.170 -0.000 0.000 0.291 43 I C 1.346 177.453 176.117 -0.017 0.000 0.998 43 I CA -0.470 60.830 61.300 0.000 0.000 1.227 43 I CB 1.290 39.290 38.000 -0.001 0.000 1.368 43 I HN 0.124 nan 8.210 nan 0.000 0.466 44 R N 2.740 123.195 120.500 -0.075 0.000 2.195 44 R HA 0.177 4.517 4.340 -0.000 0.000 0.197 44 R C -0.098 176.101 176.300 -0.169 0.000 0.990 44 R CA 0.369 56.415 56.100 -0.090 0.000 1.048 44 R CB 0.584 30.836 30.300 -0.080 0.000 0.997 44 R HN 0.568 nan 8.270 nan 0.000 0.502 45 E N -0.035 119.984 120.200 -0.302 0.000 2.343 45 E HA 0.177 4.527 4.350 -0.000 0.000 0.270 45 E C 0.740 177.102 176.600 -0.397 0.000 0.895 45 E CA -0.458 55.670 56.400 -0.454 0.000 0.767 45 E CB 2.060 31.163 29.700 -0.994 0.000 1.248 45 E HN -0.085 nan 8.360 nan 0.000 0.440 46 I N 0.777 121.197 120.570 -0.250 0.000 2.194 46 I HA -0.340 3.829 4.170 -0.000 0.000 0.246 46 I C 2.130 178.200 176.117 -0.078 0.000 1.093 46 I CA 1.642 62.875 61.300 -0.112 0.000 1.355 46 I CB -0.381 37.603 38.000 -0.027 0.000 1.046 46 I HN 0.578 nan 8.210 nan 0.000 0.413 47 Y N 0.679 120.975 120.300 -0.008 0.000 2.574 47 Y HA -0.030 4.520 4.550 -0.000 0.000 0.294 47 Y C 1.882 177.782 175.900 -0.000 0.000 1.142 47 Y CA 0.394 58.491 58.100 -0.004 0.000 1.314 47 Y CB -1.282 37.173 38.460 -0.008 0.000 0.991 47 Y HN 0.204 nan 8.280 nan 0.000 0.555 48 E N 0.903 121.011 120.200 -0.152 0.000 2.371 48 E HA 0.088 4.438 4.350 -0.000 0.000 0.194 48 E C 0.283 176.877 176.600 -0.010 0.000 1.012 48 E CA -0.085 56.284 56.400 -0.052 0.000 0.860 48 E CB 0.083 29.689 29.700 -0.158 0.000 0.811 48 E HN 0.430 nan 8.360 nan 0.000 0.502 49 L N 2.303 123.516 121.223 -0.017 0.000 2.452 49 L HA 0.134 4.474 4.340 -0.000 0.000 0.267 49 L C -2.058 174.826 176.870 0.023 0.000 1.188 49 L CA -2.047 52.793 54.840 0.000 0.000 0.821 49 L CB -0.084 41.972 42.059 -0.005 0.000 1.102 49 L HN -0.179 nan 8.230 nan 0.000 0.470 50 P HA -0.003 nan 4.420 nan 0.000 0.269 50 P C 0.021 177.335 177.300 0.022 0.000 1.217 50 P CA -0.053 63.060 63.100 0.021 0.000 0.783 50 P CB 0.483 32.191 31.700 0.012 0.000 0.898 51 N N 1.679 120.393 118.700 0.024 0.000 2.037 51 N HA -0.246 4.494 4.740 -0.000 0.000 0.196 51 N C 1.327 176.848 175.510 0.019 0.000 1.034 51 N CA 1.946 55.010 53.050 0.024 0.000 0.861 51 N CB -0.392 38.106 38.487 0.019 0.000 1.039 51 N HN 0.471 nan 8.380 nan 0.000 0.427 52 E N -0.483 119.724 120.200 0.011 0.000 2.110 52 E HA -0.205 4.144 4.350 -0.000 0.000 0.193 52 E C 2.021 178.626 176.600 0.008 0.000 0.988 52 E CA 0.991 57.394 56.400 0.005 0.000 0.804 52 E CB -0.122 29.576 29.700 -0.003 0.000 0.745 52 E HN 0.609 nan 8.360 nan 0.000 0.458 53 Q N 0.280 120.085 119.800 0.008 0.000 2.187 53 Q HA -0.109 4.231 4.340 -0.000 0.000 0.199 53 Q C 2.164 178.176 176.000 0.020 0.000 0.957 53 Q CA 0.666 56.474 55.803 0.007 0.000 0.857 53 Q CB 0.069 28.804 28.738 -0.004 0.000 0.929 53 Q HN 0.330 nan 8.270 nan 0.000 0.453 54 Q N 0.663 120.478 119.800 0.025 0.000 2.061 54 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 54 Q C 2.038 178.067 176.000 0.049 0.000 0.984 54 Q CA 1.436 57.261 55.803 0.036 0.000 0.846 54 Q CB -0.065 28.698 28.738 0.041 0.000 0.902 54 Q HN 0.421 nan 8.270 nan 0.000 0.421 55 Q N 0.019 119.847 119.800 0.047 0.000 2.084 55 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 55 Q C 2.095 178.150 176.000 0.092 0.000 0.978 55 Q CA 1.275 57.115 55.803 0.062 0.000 0.844 55 Q CB -0.078 28.685 28.738 0.041 0.000 0.898 55 Q HN 0.084 nan 8.270 nan 0.000 0.426 56 R N 0.675 121.215 120.500 0.068 0.000 2.075 56 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 56 R C 1.915 178.298 176.300 0.138 0.000 1.126 56 R CA 0.959 57.114 56.100 0.093 0.000 0.963 56 R CB -0.658 29.664 30.300 0.037 0.000 0.858 56 R HN 0.264 nan 8.270 nan 0.000 0.435 57 L N 0.317 121.594 121.223 0.089 0.000 2.012 57 L HA -0.085 4.254 4.340 -0.000 0.000 0.210 57 L C 1.998 178.931 176.870 0.105 0.000 1.073 57 L CA 1.757 56.647 54.840 0.084 0.000 0.748 57 L CB -0.921 41.171 42.059 0.054 0.000 0.891 57 L HN 0.384 nan 8.230 nan 0.000 0.431 58 L N -0.997 120.288 121.223 0.105 0.000 2.012 58 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 58 L C 2.362 179.296 176.870 0.106 0.000 1.073 58 L CA 2.196 57.096 54.840 0.099 0.000 0.748 58 L CB -1.081 41.032 42.059 0.091 0.000 0.891 58 L HN 0.387 nan 8.230 nan 0.000 0.431 59 F N 0.637 120.603 119.950 0.026 0.000 2.095 59 F HA -0.227 4.300 4.527 -0.001 0.000 0.298 59 F C 2.321 178.132 175.800 0.019 0.000 1.104 59 F CA 2.207 60.219 58.000 0.020 0.000 1.232 59 F CB -0.302 38.706 39.000 0.012 0.000 0.987 59 F HN 0.259 nan 8.300 nan 0.000 0.475 60 E N -0.639 119.616 120.200 0.092 0.000 2.077 60 E HA -0.221 4.128 4.350 -0.000 0.000 0.193 60 E C 2.386 178.919 176.600 -0.112 0.000 0.989 60 E CA 1.325 57.719 56.400 -0.011 0.000 0.800 60 E CB -0.448 29.303 29.700 0.085 0.000 0.746 60 E HN 0.399 nan 8.360 nan 0.000 0.452 61 S N 0.338 116.028 115.700 -0.017 0.000 2.359 61 S HA -0.165 4.305 4.470 -0.000 0.000 0.224 61 S C 2.175 176.776 174.600 0.002 0.000 1.035 61 S CA 1.640 59.883 58.200 0.072 0.000 1.018 61 S CB -0.131 63.227 63.200 0.264 0.000 0.876 61 S HN 0.095 nan 8.310 nan 0.000 0.448 62 S N 1.045 116.704 115.700 -0.067 0.000 2.383 62 S HA 0.097 4.566 4.470 -0.000 0.000 0.227 62 S C 2.173 176.663 174.600 -0.183 0.000 1.026 62 S CA 0.961 59.102 58.200 -0.099 0.000 0.981 62 S CB -0.574 62.560 63.200 -0.110 0.000 0.818 62 S HN 0.699 nan 8.310 nan 0.000 0.472 63 A N 1.331 123.946 122.820 -0.342 0.000 1.873 63 A HA -0.009 4.311 4.320 -0.000 0.000 0.215 63 A C 2.101 179.584 177.584 -0.169 0.000 1.186 63 A CA 1.261 53.102 52.037 -0.327 0.000 0.616 63 A CB -0.730 17.961 19.000 -0.516 0.000 0.823 63 A HN 0.424 nan 8.150 nan 0.000 0.442 64 L N -0.205 120.918 121.223 -0.166 0.000 2.017 64 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 64 L C 2.583 179.419 176.870 -0.056 0.000 1.073 64 L CA 2.680 57.440 54.840 -0.133 0.000 0.745 64 L CB -0.860 41.032 42.059 -0.279 0.000 0.894 64 L HN 0.333 nan 8.230 nan 0.000 0.432 65 S N -0.908 114.778 115.700 -0.022 0.000 2.353 65 S HA -0.289 4.181 4.470 -0.000 0.000 0.222 65 S C 2.086 176.711 174.600 0.041 0.000 1.035 65 S CA 1.705 59.946 58.200 0.068 0.000 1.025 65 S CB -0.424 62.843 63.200 0.112 0.000 0.902 65 S HN 0.649 nan 8.310 nan 0.000 0.440 66 E N 0.163 120.365 120.200 0.002 0.000 2.077 66 E HA -0.006 4.343 4.350 -0.000 0.000 0.193 66 E C 1.164 177.772 176.600 0.013 0.000 0.989 66 E CA 0.778 57.179 56.400 0.001 0.000 0.800 66 E CB -0.563 29.122 29.700 -0.024 0.000 0.746 66 E HN 0.568 nan 8.360 nan 0.000 0.452 71 L N 0.256 121.461 121.223 -0.030 0.000 2.083 71 L HA 0.195 4.535 4.340 -0.000 0.000 0.209 71 L C 1.248 177.946 176.870 -0.286 0.000 1.083 71 L CA 1.885 56.601 54.840 -0.206 0.000 0.752 71 L CB -0.224 41.632 42.059 -0.338 0.000 0.899 71 L HN 0.253 nan 8.230 nan 0.000 0.433 72 F N -0.086 119.921 119.950 0.094 0.000 2.664 72 F HA 0.409 4.935 4.527 -0.000 0.000 0.303 72 F C 1.659 177.583 175.800 0.207 0.000 1.092 72 F CA 0.149 58.244 58.000 0.158 0.000 1.305 72 F CB -0.451 38.658 39.000 0.182 0.000 1.054 72 F HN 0.109 nan 8.300 nan 0.000 0.565 73 G N 1.388 110.336 108.800 0.247 0.000 2.366 73 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.299 73 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.299 73 G C 0.746 175.804 174.900 0.264 0.000 1.020 73 G CA -0.005 45.222 45.100 0.212 0.000 1.026 73 G HN 0.713 nan 8.290 nan 0.000 0.512 74 G N -1.104 107.772 108.800 0.127 0.000 2.572 74 G HA2 0.470 4.430 3.960 -0.000 0.000 0.261 74 G HA3 0.470 4.430 3.960 -0.000 0.000 0.261 74 G C 0.597 175.457 174.900 -0.067 0.000 1.197 74 G CA 0.241 45.263 45.100 -0.129 0.000 0.870 74 G HN 0.165 nan 8.290 nan 0.000 0.548 75 D N -0.766 119.542 120.400 -0.153 0.000 2.262 75 D HA 0.144 4.784 4.640 -0.000 0.000 0.212 75 D C 0.940 177.226 176.300 -0.024 0.000 0.964 75 D CA 0.982 54.947 54.000 -0.059 0.000 0.875 75 D CB 0.538 41.285 40.800 -0.089 0.000 0.996 75 D HN 0.296 nan 8.370 nan 0.000 0.497 79 V N 1.235 121.127 119.914 -0.037 0.000 2.588 79 V HA 0.972 5.092 4.120 -0.000 0.000 0.304 79 V C -0.639 175.430 176.094 -0.042 0.000 1.042 79 V CA -0.386 61.850 62.300 -0.105 0.000 0.877 79 V CB 1.452 33.190 31.823 -0.142 0.000 0.996 79 V HN 0.849 nan 8.190 nan 0.000 0.425 80 A N 3.405 126.199 122.820 -0.044 0.000 2.589 80 A HA 0.943 5.263 4.320 -0.000 0.000 0.296 80 A C -0.893 176.619 177.584 -0.119 0.000 1.062 80 A CA -0.144 51.831 52.037 -0.105 0.000 0.686 80 A CB 1.819 20.655 19.000 -0.273 0.000 1.282 80 A HN 1.631 nan 8.150 nan 0.000 0.404 81 A N 1.502 124.213 122.820 -0.182 0.000 2.285 81 A HA 0.703 5.022 4.320 -0.000 0.000 0.310 81 A C -0.029 177.395 177.584 -0.267 0.000 1.266 81 A CA -0.391 51.508 52.037 -0.231 0.000 0.832 81 A CB 0.039 18.930 19.000 -0.182 0.000 1.163 81 A HN 0.866 nan 8.150 nan 0.000 0.499 82 L N 2.523 123.548 121.223 -0.330 0.000 3.076 82 L HA 0.517 4.856 4.340 -0.000 0.000 0.173 82 L C 1.673 178.406 176.870 -0.229 0.000 1.343 82 L CA 0.273 54.922 54.840 -0.318 0.000 0.894 82 L CB -0.400 41.372 42.059 -0.479 0.000 1.372 82 L HN 1.057 nan 8.230 nan 0.000 0.565 83 G N 1.824 110.507 108.800 -0.195 0.000 2.198 83 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.257 83 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.257 83 G C -0.060 174.814 174.900 -0.043 0.000 1.042 83 G CA 0.061 45.112 45.100 -0.082 0.000 0.791 83 G HN 0.299 nan 8.290 nan 0.000 0.502 87 P HA -0.051 nan 4.420 nan 0.000 0.231 87 P C 0.454 177.766 177.300 0.020 0.000 1.168 87 P CA 0.378 63.473 63.100 -0.009 0.000 0.779 87 P CB 0.597 32.312 31.700 0.024 0.000 0.844 88 Q N 0.967 120.784 119.800 0.028 0.000 2.286 88 Q HA 0.170 4.510 4.340 -0.000 0.000 0.267 88 Q C -0.242 175.861 176.000 0.171 0.000 1.028 88 Q CA -0.712 55.151 55.803 0.099 0.000 0.901 88 Q CB 0.188 28.993 28.738 0.113 0.000 1.183 88 Q HN -0.050 nan 8.270 nan 0.000 0.392 89 L N 7.048 128.334 121.223 0.104 0.000 2.601 89 L HA -0.004 4.336 4.340 -0.000 0.000 0.277 89 L C -0.914 176.042 176.870 0.142 0.000 1.219 89 L CA 1.040 55.911 54.840 0.052 0.000 0.915 89 L CB 0.062 42.113 42.059 -0.013 0.000 1.160 89 L HN 0.717 nan 8.230 nan 0.000 0.494 90 H N 4.091 123.118 119.070 -0.071 0.000 3.029 90 H HA 0.444 5.000 4.556 -0.000 0.000 0.358 90 H C -1.776 173.459 175.328 -0.155 0.000 1.129 90 H CA -1.264 54.730 56.048 -0.090 0.000 1.230 90 H CB 0.740 30.437 29.762 -0.108 0.000 1.827 90 H HN 0.508 nan 8.280 nan 0.000 0.530 91 L N 4.251 125.445 121.223 -0.048 0.000 2.287 91 L HA 0.241 4.581 4.340 -0.000 0.000 0.287 91 L C 0.225 177.086 176.870 -0.015 0.000 1.022 91 L CA -0.310 54.482 54.840 -0.080 0.000 0.814 91 L CB 0.837 42.929 42.059 0.055 0.000 1.217 91 L HN 0.607 nan 8.230 nan 0.000 0.420 92 H N 3.046 122.142 119.070 0.042 0.000 2.610 92 H HA 0.338 4.894 4.556 -0.000 0.000 0.336 92 H C -0.772 174.459 175.328 -0.161 0.000 1.087 92 H CA -0.230 55.949 56.048 0.218 0.000 1.405 92 H CB 0.918 30.909 29.762 0.382 0.000 1.460 92 H HN 0.515 nan 8.280 nan 0.000 0.538 93 H N 2.502 121.754 119.070 0.303 0.000 2.970 93 H HA 0.373 4.928 4.556 -0.000 0.000 0.315 93 H C -0.323 175.028 175.328 0.038 0.000 0.992 93 H CA -0.331 55.797 56.048 0.134 0.000 1.363 93 H CB 0.786 30.629 29.762 0.135 0.000 1.532 93 H HN 0.422 nan 8.280 nan 0.000 0.514 94 I N 2.997 123.514 120.570 -0.089 0.000 2.436 94 I HA 0.269 4.439 4.170 -0.000 0.000 0.289 94 I C -0.295 175.712 176.117 -0.184 0.000 1.010 94 I CA -1.191 59.955 61.300 -0.257 0.000 1.098 94 I CB 2.065 39.627 38.000 -0.730 0.000 1.266 94 I HN 0.251 nan 8.210 nan 0.000 0.434 95 V N 6.733 126.559 119.914 -0.147 0.000 2.508 95 V HA 0.309 4.429 4.120 -0.000 0.000 0.281 95 V C 0.352 176.281 176.094 -0.274 0.000 1.041 95 V CA -0.404 61.769 62.300 -0.211 0.000 1.016 95 V CB 0.472 32.152 31.823 -0.238 0.000 0.984 95 V HN 0.595 nan 8.190 nan 0.000 0.478 96 R N 3.836 124.161 120.500 -0.292 0.000 2.664 96 R HA 0.604 4.944 4.340 -0.000 0.000 0.286 96 R C -1.344 174.688 176.300 -0.447 0.000 0.967 96 R CA -0.664 55.331 56.100 -0.175 0.000 0.933 96 R CB 1.637 32.010 30.300 0.122 0.000 1.146 96 R HN 0.606 nan 8.270 nan 0.000 0.468 97 Y N -0.059 120.211 120.300 -0.049 0.000 2.499 97 Y HA 0.283 4.833 4.550 -0.000 0.000 0.347 97 Y C 0.526 175.966 175.900 -0.767 0.000 0.987 97 Y CA -0.994 56.945 58.100 -0.269 0.000 1.044 97 Y CB 1.523 39.888 38.460 -0.158 0.000 1.245 97 Y HN 0.293 nan 8.280 nan 0.000 0.461 98 Q N 1.108 120.380 119.800 -0.880 0.000 2.283 98 Q HA 0.216 4.556 4.340 -0.000 0.000 0.301 98 Q C 0.978 176.466 176.000 -0.854 0.000 1.063 98 Q CA 1.378 56.329 55.803 -1.420 0.000 0.952 98 Q CB 0.256 28.587 28.738 -0.677 0.000 1.166 98 Q HN 1.096 nan 8.270 nan 0.000 0.381 99 G N 2.379 110.597 108.800 -0.970 0.000 2.162 99 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 99 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 99 G C -0.095 174.782 174.900 -0.039 0.000 0.976 99 G CA 0.383 45.334 45.100 -0.249 0.000 0.655 99 G HN 0.838 nan 8.290 nan 0.000 0.533 100 D N 0.346 120.764 120.400 0.030 0.000 2.369 100 D HA 0.450 5.090 4.640 -0.000 0.000 0.241 100 D C -2.192 174.270 176.300 0.271 0.000 1.271 100 D CA -1.723 52.385 54.000 0.179 0.000 0.942 100 D CB -0.326 40.677 40.800 0.339 0.000 1.129 100 D HN 0.177 nan 8.370 nan 0.000 0.476 101 P HA 0.244 nan 4.420 nan 0.000 0.268 101 P C 0.083 177.667 177.300 0.474 0.000 1.204 101 P CA 1.347 64.577 63.100 0.216 0.000 0.768 101 P CB 0.827 32.464 31.700 -0.105 0.000 0.842 102 A N 2.343 125.350 122.820 0.311 0.000 3.396 102 A HA -0.185 4.135 4.320 -0.000 0.000 0.267 102 A C 0.500 178.195 177.584 0.186 0.000 1.139 102 A CA 0.441 52.617 52.037 0.232 0.000 1.115 102 A CB -2.506 16.627 19.000 0.222 0.000 1.133 102 A HN 0.671 nan 8.150 nan 0.000 0.920 103 W N 2.077 123.426 121.300 0.082 0.000 2.257 103 W HA 0.326 4.986 4.660 -0.000 0.000 0.337 103 W C -1.500 175.028 176.519 0.015 0.000 1.321 103 W CA 0.282 57.646 57.345 0.033 0.000 1.267 103 W CB 0.624 30.117 29.460 0.055 0.000 1.187 103 W HN 0.345 nan 8.180 nan 0.000 0.565 104 P HA 0.155 nan 4.420 nan 0.000 0.266 104 P C 0.460 177.358 177.300 -0.670 0.000 1.381 104 P CA 0.000 62.311 63.100 -1.316 0.000 0.940 104 P CB 0.342 31.291 31.700 -1.252 0.000 1.435 105 G N 2.490 111.077 108.800 -0.354 0.000 2.616 105 G HA2 0.384 4.344 3.960 -0.000 0.000 0.268 105 G HA3 0.384 4.344 3.960 -0.000 0.000 0.268 105 G C -2.480 172.248 174.900 -0.287 0.000 1.213 105 G CA -1.080 43.867 45.100 -0.254 0.000 0.926 105 G HN 0.036 nan 8.290 nan 0.000 0.523 106 P HA 0.067 nan 4.420 nan 0.000 0.272 106 P C 1.214 178.185 177.300 -0.549 0.000 1.230 106 P CA -0.173 62.694 63.100 -0.387 0.000 0.788 106 P CB 1.443 33.097 31.700 -0.077 0.000 0.949 107 V N -1.766 117.490 119.914 -1.095 0.000 2.788 107 V HA 0.071 4.190 4.120 -0.000 0.000 0.251 107 V C 0.744 176.359 176.094 -0.799 0.000 1.068 107 V CA 0.200 61.734 62.300 -1.277 0.000 1.090 107 V CB -1.135 29.281 31.823 -2.344 0.000 0.710 107 V HN 0.340 nan 8.190 nan 0.000 0.467 108 W N 1.538 122.597 121.300 -0.402 0.000 2.308 108 W HA 0.480 5.140 4.660 -0.000 0.000 0.324 108 W C 1.452 177.932 176.519 -0.064 0.000 1.387 108 W CA 0.959 58.191 57.345 -0.188 0.000 1.250 108 W CB -0.166 29.172 29.460 -0.202 0.000 1.257 108 W HN 0.533 nan 8.180 nan 0.000 0.554 109 G N 1.981 110.915 108.800 0.223 0.000 2.184 109 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.264 109 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.264 109 G C 1.375 176.356 174.900 0.134 0.000 0.975 109 G CA 0.594 45.793 45.100 0.165 0.000 0.642 109 G HN 0.424 nan 8.290 nan 0.000 0.536 110 K N -0.072 120.410 120.400 0.137 0.000 1.980 110 K HA 0.039 4.359 4.320 -0.000 0.000 0.208 110 K C 1.333 178.041 176.600 0.179 0.000 1.043 110 K CA 1.268 57.646 56.287 0.151 0.000 0.938 110 K CB -0.084 32.521 32.500 0.176 0.000 0.724 110 K HN 0.610 nan 8.250 nan 0.000 0.438 111 Q N 0.776 120.731 119.800 0.258 0.000 2.375 111 Q HA 0.304 4.644 4.340 -0.000 0.000 0.271 111 Q C -2.629 173.484 176.000 0.188 0.000 1.074 111 Q CA -2.166 53.753 55.803 0.194 0.000 0.808 111 Q CB 2.156 31.003 28.738 0.181 0.000 1.327 111 Q HN -0.119 nan 8.270 nan 0.000 0.441 112 P HA 0.114 nan 4.420 nan 0.000 0.267 112 P C -2.540 174.816 177.300 0.093 0.000 1.200 112 P CA -0.698 62.461 63.100 0.099 0.000 0.772 112 P CB -0.008 31.727 31.700 0.059 0.000 0.855 113 P HA 0.027 nan 4.420 nan 0.000 0.271 113 P C -0.849 176.456 177.300 0.008 0.000 1.218 113 P CA 0.147 63.287 63.100 0.066 0.000 0.780 113 P CB 0.524 32.248 31.700 0.040 0.000 0.901 114 V N 4.940 124.832 119.914 -0.037 0.000 2.311 114 V HA 0.244 4.364 4.120 -0.000 0.000 0.275 114 V C -1.857 174.191 176.094 -0.076 0.000 1.022 114 V CA -1.924 60.335 62.300 -0.069 0.000 0.830 114 V CB 1.013 32.764 31.823 -0.121 0.000 1.012 114 V HN 0.573 nan 8.190 nan 0.000 0.452 115 P HA 0.147 nan 4.420 nan 0.000 0.271 115 P C -0.761 176.579 177.300 0.067 0.000 1.218 115 P CA -0.279 62.861 63.100 0.066 0.000 0.780 115 P CB 0.532 32.289 31.700 0.095 0.000 0.901 116 Y N 0.552 120.910 120.300 0.096 0.000 2.610 116 Y HA 0.038 4.587 4.550 -0.000 0.000 0.332 116 Y C 2.029 177.962 175.900 0.054 0.000 1.201 116 Y CA 0.579 58.723 58.100 0.074 0.000 1.465 116 Y CB -0.238 38.272 38.460 0.083 0.000 1.283 116 Y HN 0.373 nan 8.280 nan 0.000 0.563 117 T N -0.796 113.852 114.554 0.157 0.000 2.726 117 T HA 0.053 4.403 4.350 -0.000 0.000 0.294 117 T C 1.104 175.851 174.700 0.078 0.000 1.013 117 T CA -0.758 61.399 62.100 0.094 0.000 0.996 117 T CB 0.806 69.707 68.868 0.056 0.000 1.016 117 T HN 0.643 nan 8.240 nan 0.000 0.529 118 E N 0.285 120.507 120.200 0.036 0.000 2.077 118 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 118 E C 1.982 178.583 176.600 0.003 0.000 0.989 118 E CA 1.500 57.899 56.400 -0.001 0.000 0.800 118 E CB -0.284 29.413 29.700 -0.004 0.000 0.746 118 E HN 0.920 nan 8.360 nan 0.000 0.452 119 E N 0.877 121.090 120.200 0.022 0.000 2.051 119 E HA -0.207 4.142 4.350 -0.000 0.000 0.192 119 E C 2.087 178.716 176.600 0.047 0.000 0.991 119 E CA 1.128 57.543 56.400 0.025 0.000 0.799 119 E CB 0.100 29.815 29.700 0.025 0.000 0.748 119 E HN 0.246 nan 8.360 nan 0.000 0.449 120 Q N 0.025 119.880 119.800 0.092 0.000 2.119 120 Q HA -0.208 4.131 4.340 -0.000 0.000 0.201 120 Q C 2.219 178.321 176.000 0.169 0.000 0.972 120 Q CA 1.443 57.353 55.803 0.178 0.000 0.847 120 Q CB -0.094 28.804 28.738 0.267 0.000 0.903 120 Q HN 0.355 nan 8.270 nan 0.000 0.433 121 Q N 0.235 120.072 119.800 0.061 0.000 2.079 121 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 121 Q C 2.031 177.959 176.000 -0.119 0.000 0.974 121 Q CA 1.280 56.990 55.803 -0.154 0.000 0.840 121 Q CB -0.113 28.451 28.738 -0.291 0.000 0.898 121 Q HN 0.387 nan 8.270 nan 0.000 0.430 122 A N 0.148 122.930 122.820 -0.063 0.000 1.902 122 A HA -0.170 4.149 4.320 -0.000 0.000 0.217 122 A C 2.259 179.831 177.584 -0.019 0.000 1.181 122 A CA 1.833 53.844 52.037 -0.044 0.000 0.623 122 A CB -0.615 18.369 19.000 -0.027 0.000 0.818 122 A HN 0.424 nan 8.150 nan 0.000 0.443 123 S N -0.991 114.715 115.700 0.010 0.000 2.356 123 S HA -0.126 4.344 4.470 -0.000 0.000 0.223 123 S C 1.912 176.535 174.600 0.038 0.000 1.032 123 S CA 1.302 59.520 58.200 0.031 0.000 1.005 123 S CB -0.485 62.751 63.200 0.060 0.000 0.867 123 S HN 0.390 nan 8.310 nan 0.000 0.449 124 V N 1.678 121.621 119.914 0.048 0.000 2.548 124 V HA -0.097 4.022 4.120 -0.000 0.000 0.249 124 V C 2.022 178.130 176.094 0.023 0.000 1.055 124 V CA 1.581 63.927 62.300 0.077 0.000 1.065 124 V CB -0.382 31.495 31.823 0.091 0.000 0.681 124 V HN 0.381 nan 8.190 nan 0.000 0.462 125 K N 0.124 120.505 120.400 -0.033 0.000 2.026 125 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 125 K C 2.258 178.851 176.600 -0.012 0.000 1.048 125 K CA 1.536 57.805 56.287 -0.029 0.000 0.929 125 K CB -0.442 32.026 32.500 -0.054 0.000 0.713 125 K HN 0.545 nan 8.250 nan 0.000 0.439 126 A N 1.803 124.615 122.820 -0.013 0.000 1.902 126 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 126 A C 1.907 179.479 177.584 -0.019 0.000 1.181 126 A CA 1.535 53.564 52.037 -0.013 0.000 0.623 126 A CB -0.303 18.690 19.000 -0.012 0.000 0.818 126 A HN 0.193 nan 8.150 nan 0.000 0.443 127 K N -0.606 119.781 120.400 -0.022 0.000 2.063 127 K HA -0.046 4.273 4.320 -0.000 0.000 0.208 127 K C 1.607 178.168 176.600 -0.066 0.000 1.048 127 K CA 1.458 57.707 56.287 -0.064 0.000 0.928 127 K CB -0.316 32.125 32.500 -0.098 0.000 0.713 127 K HN 0.450 nan 8.250 nan 0.000 0.442 128 L N 0.663 121.878 121.223 -0.013 0.000 2.554 128 L HA -0.075 4.265 4.340 -0.000 0.000 0.226 128 L C 2.363 179.238 176.870 0.007 0.000 1.137 128 L CA 0.137 54.986 54.840 0.015 0.000 0.863 128 L CB -0.031 42.076 42.059 0.080 0.000 0.985 128 L HN 0.161 nan 8.230 nan 0.000 0.451 129 Q N 1.068 120.866 119.800 -0.003 0.000 2.050 129 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 129 Q C -0.638 175.361 176.000 -0.001 0.000 0.980 129 Q CA 1.952 57.754 55.803 -0.001 0.000 0.840 129 Q CB -1.023 27.713 28.738 -0.005 0.000 0.898 129 Q HN 0.213 nan 8.270 nan 0.000 0.424 130 P HA -0.151 nan 4.420 nan 0.000 0.215 130 P C 1.190 178.489 177.300 -0.001 0.000 1.153 130 P CA 0.938 64.034 63.100 -0.006 0.000 0.853 130 P CB -0.126 31.565 31.700 -0.015 0.000 0.788 131 L N -0.793 120.428 121.223 -0.004 0.000 2.056 131 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 131 L C 2.136 179.011 176.870 0.008 0.000 1.078 131 L CA 1.575 56.415 54.840 0.001 0.000 0.749 131 L CB -1.635 40.426 42.059 0.004 0.000 0.901 131 L HN -0.141 nan 8.230 nan 0.000 0.433 132 L N -0.078 121.153 121.223 0.013 0.000 2.043 132 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 132 L C 2.338 179.220 176.870 0.020 0.000 1.075 132 L CA 1.947 56.797 54.840 0.017 0.000 0.752 132 L CB -0.810 41.260 42.059 0.018 0.000 0.891 132 L HN 0.429 nan 8.230 nan 0.000 0.432 133 E N -1.084 119.127 120.200 0.018 0.000 2.153 133 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 133 E C 2.012 178.632 176.600 0.033 0.000 0.988 133 E CA 0.875 57.288 56.400 0.022 0.000 0.811 133 E CB -0.118 29.591 29.700 0.015 0.000 0.746 133 E HN 0.578 nan 8.360 nan 0.000 0.466 134 Q N 0.003 119.824 119.800 0.035 0.000 2.437 134 Q HA -0.056 4.284 4.340 -0.000 0.000 0.210 134 Q C 1.789 177.846 176.000 0.095 0.000 0.972 134 Q CA 0.744 56.581 55.803 0.056 0.000 0.903 134 Q CB 0.145 28.905 28.738 0.037 0.000 0.967 134 Q HN 0.404 nan 8.270 nan 0.000 0.486 135 L N -0.257 121.011 121.223 0.074 0.000 2.592 135 L HA 0.216 4.556 4.340 -0.000 0.000 0.227 135 L C 1.065 177.992 176.870 0.096 0.000 1.127 135 L CA -0.388 54.513 54.840 0.102 0.000 0.884 135 L CB -0.276 41.812 42.059 0.049 0.000 1.065 135 L HN -0.078 nan 8.230 nan 0.000 0.457 136 A N 0.000 122.861 122.820 0.069 0.000 2.254 136 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 136 A CA 0.000 52.062 52.037 0.041 0.000 0.836 136 A CB 0.000 19.017 19.000 0.028 0.000 0.831 136 A HN 0.000 nan 8.150 nan 0.000 0.486