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 2q78_1_H DATA FIRST_RESID 0 DATA SEQUENCE HXXDFDFLEG KRLTEDVALD ETXVWNEDIE XLDLHLVATS ALIGVVHRVS DATA SEQUENCE YELLSRYLPN DYTAVVVETL ARHVKAVPTG TRVAVGVRVV GVVGNRVKFR DATA SEQUENCE GIVXSGDEKI LEAEFVRAIV PREKLRRLAL E 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 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.366 175.328 0.063 0.000 0.993 0 H CA 0.000 56.077 56.048 0.048 0.000 1.023 0 H CB 0.000 29.789 29.762 0.045 0.000 1.292 4 F N 1.178 121.122 119.950 -0.009 0.000 2.661 4 F HA 0.189 4.715 4.527 -0.001 0.000 0.306 4 F C 1.728 177.313 175.800 -0.359 0.000 1.094 4 F CA -0.348 57.532 58.000 -0.201 0.000 1.254 4 F CB 0.467 39.330 39.000 -0.229 0.000 1.040 4 F HN 0.207 nan 8.300 nan 0.000 0.562 5 D N 0.453 120.839 120.400 -0.023 0.000 2.263 5 D HA -0.195 4.443 4.640 -0.002 0.000 0.208 5 D C 2.114 178.353 176.300 -0.102 0.000 0.971 5 D CA 1.091 55.050 54.000 -0.068 0.000 0.867 5 D CB -0.478 40.311 40.800 -0.017 0.000 0.929 5 D HN 0.427 nan 8.370 nan 0.000 0.492 6 F N -0.065 119.846 119.950 -0.065 0.000 2.494 6 F HA 0.005 4.532 4.527 -0.001 0.000 0.298 6 F C 1.636 177.339 175.800 -0.161 0.000 1.106 6 F CA 0.454 58.393 58.000 -0.102 0.000 1.452 6 F CB -0.775 38.169 39.000 -0.094 0.000 1.085 6 F HN -0.104 nan 8.300 nan 0.000 0.569 7 L N 0.247 120.975 121.223 -0.826 0.000 2.376 7 L HA -0.002 4.337 4.340 -0.002 0.000 0.219 7 L C 0.908 177.535 176.870 -0.404 0.000 1.133 7 L CA 0.460 54.889 54.840 -0.685 0.000 0.816 7 L CB -0.690 40.973 42.059 -0.661 0.000 0.933 7 L HN 0.120 nan 8.230 nan 0.000 0.449 8 E N 0.021 120.043 120.200 -0.298 0.000 2.417 8 E HA 0.145 4.493 4.350 -0.002 0.000 0.261 8 E C 1.068 177.561 176.600 -0.177 0.000 1.000 8 E CA 0.833 57.097 56.400 -0.227 0.000 0.919 8 E CB 0.397 30.000 29.700 -0.163 0.000 0.955 8 E HN 0.296 nan 8.360 nan 0.000 0.455 9 G N 3.296 111.995 108.800 -0.167 0.000 2.199 9 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.254 9 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.254 9 G C -0.064 174.779 174.900 -0.096 0.000 0.982 9 G CA -0.231 44.802 45.100 -0.112 0.000 0.632 9 G HN 0.384 nan 8.290 nan 0.000 0.529 10 K N 1.365 121.682 120.400 -0.139 0.000 2.379 10 K HA 0.361 4.680 4.320 -0.002 0.000 0.284 10 K C 0.943 177.541 176.600 -0.004 0.000 1.044 10 K CA 0.143 56.376 56.287 -0.091 0.000 0.974 10 K CB 0.803 33.185 32.500 -0.197 0.000 0.962 10 K HN 0.852 nan 8.250 nan 0.000 0.474 11 R N 1.245 121.778 120.500 0.054 0.000 2.854 11 R HA 0.733 5.072 4.340 -0.002 0.000 0.271 11 R C -1.178 175.192 176.300 0.116 0.000 0.994 11 R CA -1.179 54.974 56.100 0.087 0.000 0.945 11 R CB 1.090 31.424 30.300 0.056 0.000 1.194 11 R HN 0.294 nan 8.270 nan 0.000 0.476 12 L N 0.276 121.571 121.223 0.120 0.000 2.526 12 L HA 0.463 4.801 4.340 -0.002 0.000 0.263 12 L C -1.592 175.330 176.870 0.087 0.000 0.943 12 L CA 0.103 55.007 54.840 0.107 0.000 0.859 12 L CB 2.843 44.976 42.059 0.123 0.000 1.313 12 L HN 0.860 nan 8.230 nan 0.000 0.406 13 T N 3.601 118.196 114.554 0.067 0.000 2.829 13 T HA 0.663 5.011 4.350 -0.002 0.000 0.280 13 T C -0.974 173.752 174.700 0.045 0.000 0.999 13 T CA -0.507 61.625 62.100 0.054 0.000 0.983 13 T CB 1.582 70.477 68.868 0.045 0.000 0.968 13 T HN 0.588 nan 8.240 nan 0.000 0.446 14 E N 1.619 121.842 120.200 0.038 0.000 2.272 14 E HA 0.318 4.667 4.350 -0.002 0.000 0.269 14 E C -1.337 175.276 176.600 0.022 0.000 0.877 14 E CA -0.951 55.467 56.400 0.030 0.000 0.755 14 E CB 1.652 31.370 29.700 0.029 0.000 1.192 14 E HN 0.467 nan 8.360 nan 0.000 0.422 15 D N 1.481 121.892 120.400 0.018 0.000 2.351 15 D HA 0.239 4.878 4.640 -0.002 0.000 0.251 15 D C -0.839 175.466 176.300 0.009 0.000 1.137 15 D CA 0.089 54.097 54.000 0.013 0.000 0.879 15 D CB 1.242 42.050 40.800 0.013 0.000 1.181 15 D HN -0.036 nan 8.370 nan 0.000 0.448 16 V N 1.475 121.392 119.914 0.005 0.000 2.588 16 V HA 0.646 4.765 4.120 -0.002 0.000 0.304 16 V C 0.022 176.116 176.094 -0.000 0.000 1.042 16 V CA -1.189 61.111 62.300 -0.000 0.000 0.877 16 V CB 1.860 33.678 31.823 -0.008 0.000 0.996 16 V HN 0.651 nan 8.190 nan 0.000 0.425 17 A N 5.377 128.197 122.820 -0.000 0.000 2.320 17 A HA 0.717 5.035 4.320 -0.002 0.000 0.287 17 A C -0.327 177.257 177.584 -0.000 0.000 1.181 17 A CA -0.348 51.690 52.037 0.002 0.000 0.831 17 A CB 0.106 19.107 19.000 0.001 0.000 1.102 17 A HN 0.842 nan 8.150 nan 0.000 0.513 18 L N 3.683 124.910 121.223 0.006 0.000 2.312 18 L HA 0.239 4.578 4.340 -0.002 0.000 0.287 18 L C -0.067 176.810 176.870 0.012 0.000 1.091 18 L CA -0.613 54.232 54.840 0.009 0.000 0.846 18 L CB 0.100 42.172 42.059 0.021 0.000 1.219 18 L HN 0.910 nan 8.230 nan 0.000 0.439 19 D N 1.011 121.413 120.400 0.003 0.000 2.466 19 D HA 0.105 4.743 4.640 -0.002 0.000 0.262 19 D C 0.649 176.949 176.300 -0.000 0.000 1.177 19 D CA -0.640 53.358 54.000 -0.005 0.000 1.035 19 D CB 0.992 41.786 40.800 -0.011 0.000 1.105 19 D HN 0.191 nan 8.370 nan 0.000 0.551 20 E N -0.739 119.451 120.200 -0.015 0.000 2.347 20 E HA -0.026 4.323 4.350 -0.002 0.000 0.196 20 E C 0.910 177.510 176.600 0.000 0.000 1.008 20 E CA 0.560 56.951 56.400 -0.015 0.000 0.852 20 E CB -0.599 29.075 29.700 -0.045 0.000 0.783 20 E HN 0.728 nan 8.360 nan 0.000 0.505 24 W N 7.118 128.440 121.300 0.037 0.000 2.446 24 W HA 0.435 5.094 4.660 -0.002 0.000 0.316 24 W C 0.630 177.161 176.519 0.021 0.000 1.376 24 W CA 0.143 57.503 57.345 0.026 0.000 1.300 24 W CB 0.710 30.182 29.460 0.021 0.000 1.351 24 W HN 0.815 nan 8.180 nan 0.000 0.530 25 N N 2.669 121.238 118.700 -0.218 0.000 2.184 25 N HA -0.031 4.708 4.740 -0.002 0.000 0.234 25 N C 0.607 175.879 175.510 -0.396 0.000 1.282 25 N CA -0.082 52.769 53.050 -0.332 0.000 0.877 25 N CB -0.399 38.011 38.487 -0.127 0.000 1.184 25 N HN 0.604 nan 8.380 nan 0.000 0.510 26 E N 0.103 120.002 120.200 -0.501 0.000 2.160 26 E HA -0.145 4.204 4.350 -0.002 0.000 0.195 26 E C -0.426 175.973 176.600 -0.335 0.000 0.991 26 E CA 1.083 57.324 56.400 -0.265 0.000 0.810 26 E CB 0.047 29.760 29.700 0.021 0.000 0.742 26 E HN 0.320 nan 8.360 nan 0.000 0.466 27 D N -0.350 119.663 120.400 -0.645 0.000 2.461 27 D HA 0.070 4.709 4.640 -0.002 0.000 0.240 27 D C 0.643 176.707 176.300 -0.393 0.000 1.094 27 D CA -0.434 53.288 54.000 -0.465 0.000 0.868 27 D CB 0.839 41.331 40.800 -0.514 0.000 1.062 27 D HN -0.201 nan 8.370 nan 0.000 0.530 28 I N 2.674 123.106 120.570 -0.231 0.000 2.182 28 I HA -0.286 3.882 4.170 -0.002 0.000 0.248 28 I C 1.358 177.389 176.117 -0.142 0.000 1.073 28 I CA 1.529 62.732 61.300 -0.161 0.000 1.335 28 I CB -0.358 37.581 38.000 -0.102 0.000 1.031 28 I HN 0.514 nan 8.210 nan 0.000 0.420 32 D N 1.737 122.143 120.400 0.010 0.000 2.264 32 D HA -0.125 4.514 4.640 -0.002 0.000 0.208 32 D C 1.778 178.028 176.300 -0.083 0.000 0.966 32 D CA 0.924 54.950 54.000 0.044 0.000 0.864 32 D CB -0.087 40.723 40.800 0.018 0.000 0.933 32 D HN 0.406 nan 8.370 nan 0.000 0.499 33 L N 0.199 121.348 121.223 -0.124 0.000 2.275 33 L HA -0.090 4.249 4.340 -0.002 0.000 0.215 33 L C 0.307 176.873 176.870 -0.506 0.000 1.119 33 L CA 0.680 55.368 54.840 -0.253 0.000 0.790 33 L CB -1.380 40.650 42.059 -0.049 0.000 0.919 33 L HN 0.202 nan 8.230 nan 0.000 0.443 34 H N -1.669 117.444 119.070 0.072 0.000 2.355 34 H HA -0.187 4.368 4.556 -0.002 0.000 0.324 34 H C -0.138 175.259 175.328 0.116 0.000 1.015 34 H CA -0.112 55.985 56.048 0.083 0.000 1.101 34 H CB -2.566 27.224 29.762 0.047 0.000 1.555 34 H HN 0.247 nan 8.280 nan 0.000 0.386 35 L N 0.286 121.624 121.223 0.192 0.000 2.483 35 L HA 0.147 4.485 4.340 -0.002 0.000 0.276 35 L C 1.082 178.089 176.870 0.228 0.000 1.213 35 L CA -0.272 54.680 54.840 0.187 0.000 0.843 35 L CB 0.586 42.761 42.059 0.194 0.000 1.107 35 L HN 0.408 nan 8.230 nan 0.000 0.487 36 V N 3.614 123.627 119.914 0.165 0.000 2.614 36 V HA 0.388 4.507 4.120 -0.002 0.000 0.291 36 V C 0.666 176.858 176.094 0.163 0.000 1.049 36 V CA -0.546 61.843 62.300 0.149 0.000 1.038 36 V CB 1.328 33.207 31.823 0.093 0.000 0.980 36 V HN 0.872 nan 8.190 nan 0.000 0.481 37 A N 4.940 127.854 122.820 0.156 0.000 2.425 37 A HA 0.376 4.695 4.320 -0.002 0.000 0.249 37 A C 1.339 178.962 177.584 0.065 0.000 1.084 37 A CA 0.509 52.624 52.037 0.130 0.000 0.781 37 A CB 0.311 19.410 19.000 0.164 0.000 1.019 37 A HN 1.040 nan 8.150 nan 0.000 0.490 38 T N 1.642 116.241 114.554 0.074 0.000 2.665 38 T HA -0.215 4.134 4.350 -0.002 0.000 0.268 38 T C 2.305 176.958 174.700 -0.077 0.000 1.035 38 T CA 2.443 64.562 62.100 0.032 0.000 1.151 38 T CB -0.407 68.523 68.868 0.103 0.000 0.862 38 T HN 1.063 nan 8.240 nan 0.000 0.438 39 S N 1.868 117.546 115.700 -0.035 0.000 2.399 39 S HA 0.035 4.503 4.470 -0.002 0.000 0.231 39 S C 2.391 176.934 174.600 -0.095 0.000 1.022 39 S CA 0.933 59.095 58.200 -0.063 0.000 0.983 39 S CB -0.578 62.611 63.200 -0.017 0.000 0.803 39 S HN 0.520 nan 8.310 nan 0.000 0.480 40 A N 2.057 124.841 122.820 -0.060 0.000 1.877 40 A HA 0.164 4.483 4.320 -0.002 0.000 0.216 40 A C 2.338 179.846 177.584 -0.126 0.000 1.186 40 A CA 1.381 53.377 52.037 -0.069 0.000 0.620 40 A CB -0.862 18.128 19.000 -0.017 0.000 0.822 40 A HN 0.536 nan 8.150 nan 0.000 0.443 41 L N -0.535 120.593 121.223 -0.157 0.000 2.093 41 L HA -0.144 4.195 4.340 -0.002 0.000 0.208 41 L C 2.463 179.169 176.870 -0.274 0.000 1.085 41 L CA 0.956 55.671 54.840 -0.208 0.000 0.755 41 L CB -0.431 41.455 42.059 -0.289 0.000 0.904 41 L HN 0.395 nan 8.230 nan 0.000 0.435 42 I N -0.274 120.103 120.570 -0.321 0.000 2.163 42 I HA -0.250 3.918 4.170 -0.002 0.000 0.243 42 I C 2.632 178.325 176.117 -0.705 0.000 1.085 42 I CA 1.525 62.521 61.300 -0.507 0.000 1.347 42 I CB -0.931 36.804 38.000 -0.440 0.000 1.044 42 I HN 0.296 nan 8.210 nan 0.000 0.408 43 G N 0.545 109.083 108.800 -0.438 0.000 2.476 43 G HA2 -0.226 3.732 3.960 -0.002 0.000 0.218 43 G HA3 -0.226 3.732 3.960 -0.002 0.000 0.218 43 G C 1.731 176.493 174.900 -0.230 0.000 1.164 43 G CA 1.005 45.925 45.100 -0.300 0.000 0.768 43 G HN 0.248 nan 8.290 nan 0.000 0.560 44 V N 0.316 120.110 119.914 -0.200 0.000 2.287 44 V HA -0.195 3.924 4.120 -0.002 0.000 0.248 44 V C 3.057 179.065 176.094 -0.144 0.000 1.053 44 V CA 1.707 63.925 62.300 -0.136 0.000 1.027 44 V CB -0.372 31.385 31.823 -0.111 0.000 0.646 44 V HN 0.266 nan 8.190 nan 0.000 0.447 45 V N -0.632 119.145 119.914 -0.229 0.000 2.358 45 V HA -0.275 3.843 4.120 -0.002 0.000 0.246 45 V C 2.197 178.156 176.094 -0.225 0.000 1.047 45 V CA 2.195 64.374 62.300 -0.201 0.000 1.035 45 V CB -0.926 30.752 31.823 -0.242 0.000 0.658 45 V HN 0.671 nan 8.190 nan 0.000 0.452 46 H N -0.341 118.450 119.070 -0.465 0.000 2.353 46 H HA -0.226 4.328 4.556 -0.002 0.000 0.298 46 H C 2.633 177.842 175.328 -0.197 0.000 1.103 46 H CA 1.775 57.540 56.048 -0.473 0.000 1.293 46 H CB 0.040 29.571 29.762 -0.385 0.000 1.372 46 H HN 0.241 nan 8.280 nan 0.000 0.501 47 R N 0.831 121.328 120.500 -0.005 0.000 2.081 47 R HA -0.127 4.211 4.340 -0.002 0.000 0.235 47 R C 2.231 178.566 176.300 0.060 0.000 1.131 47 R CA 1.337 57.452 56.100 0.024 0.000 0.960 47 R CB -0.184 30.108 30.300 -0.013 0.000 0.856 47 R HN 0.112 nan 8.270 nan 0.000 0.436 48 V N 1.018 120.948 119.914 0.027 0.000 2.392 48 V HA -0.273 3.846 4.120 -0.002 0.000 0.249 48 V C 2.454 178.581 176.094 0.054 0.000 1.059 48 V CA 2.084 64.414 62.300 0.049 0.000 1.051 48 V CB -0.516 31.336 31.823 0.049 0.000 0.658 48 V HN 0.597 nan 8.190 nan 0.000 0.455 49 S N -0.620 115.078 115.700 -0.002 0.000 2.382 49 S HA -0.289 4.180 4.470 -0.002 0.000 0.228 49 S C 2.005 176.566 174.600 -0.065 0.000 1.027 49 S CA 1.716 59.812 58.200 -0.174 0.000 0.991 49 S CB -0.817 62.009 63.200 -0.623 0.000 0.823 49 S HN 0.621 nan 8.310 nan 0.000 0.469 50 Y N 2.648 122.900 120.300 -0.080 0.000 2.128 50 Y HA -0.154 4.394 4.550 -0.002 0.000 0.284 50 Y C 2.639 178.550 175.900 0.018 0.000 1.154 50 Y CA 2.260 60.346 58.100 -0.023 0.000 1.149 50 Y CB -0.606 37.839 38.460 -0.024 0.000 0.976 50 Y HN 0.420 nan 8.280 nan 0.000 0.505 51 E N 0.626 120.926 120.200 0.166 0.000 2.070 51 E HA -0.280 4.069 4.350 -0.002 0.000 0.197 51 E C 2.198 178.814 176.600 0.026 0.000 1.004 51 E CA 2.007 58.464 56.400 0.095 0.000 0.805 51 E CB -0.834 28.922 29.700 0.095 0.000 0.744 51 E HN 0.648 nan 8.360 nan 0.000 0.451 52 L N -0.293 120.972 121.223 0.069 0.000 2.017 52 L HA -0.136 4.202 4.340 -0.002 0.000 0.208 52 L C 2.471 179.440 176.870 0.165 0.000 1.073 52 L CA 1.430 56.358 54.840 0.147 0.000 0.745 52 L CB -0.253 41.946 42.059 0.234 0.000 0.894 52 L HN 0.278 nan 8.230 nan 0.000 0.432 53 L N -0.100 121.176 121.223 0.087 0.000 2.083 53 L HA -0.213 4.126 4.340 -0.002 0.000 0.209 53 L C 2.895 179.727 176.870 -0.063 0.000 1.083 53 L CA 1.547 56.416 54.840 0.048 0.000 0.752 53 L CB -0.602 41.416 42.059 -0.069 0.000 0.899 53 L HN 0.518 nan 8.230 nan 0.000 0.433 54 S N -0.316 115.243 115.700 -0.234 0.000 2.442 54 S HA -0.184 4.285 4.470 -0.002 0.000 0.236 54 S C 1.967 176.493 174.600 -0.123 0.000 1.007 54 S CA 0.677 58.747 58.200 -0.217 0.000 0.965 54 S CB -0.326 62.744 63.200 -0.217 0.000 0.773 54 S HN 0.395 nan 8.310 nan 0.000 0.504 55 R N -0.303 120.087 120.500 -0.184 0.000 2.081 55 R HA -0.010 4.329 4.340 -0.002 0.000 0.235 55 R C 1.468 177.518 176.300 -0.416 0.000 1.131 55 R CA 1.832 57.703 56.100 -0.382 0.000 0.960 55 R CB -0.381 29.505 30.300 -0.690 0.000 0.856 55 R HN 0.592 nan 8.270 nan 0.000 0.436 56 Y N -0.139 120.210 120.300 0.082 0.000 2.458 56 Y HA 0.243 4.792 4.550 -0.003 0.000 0.254 56 Y C 0.821 176.836 175.900 0.192 0.000 1.120 56 Y CA -0.334 57.874 58.100 0.181 0.000 1.282 56 Y CB 0.329 38.992 38.460 0.338 0.000 1.109 56 Y HN -0.127 nan 8.280 nan 0.000 0.526 57 L N 2.237 123.585 121.223 0.207 0.000 2.436 57 L HA 0.250 4.589 4.340 -0.002 0.000 0.265 57 L C -1.980 174.966 176.870 0.127 0.000 1.168 57 L CA -1.997 52.934 54.840 0.151 0.000 0.815 57 L CB 0.382 42.478 42.059 0.063 0.000 1.109 57 L HN -0.078 nan 8.230 nan 0.000 0.462 58 P HA 0.117 nan 4.420 nan 0.000 0.272 58 P C 0.383 177.806 177.300 0.205 0.000 1.240 58 P CA -0.141 63.050 63.100 0.153 0.000 0.791 58 P CB 0.393 32.207 31.700 0.190 0.000 0.978 59 N N 1.017 119.812 118.700 0.157 0.000 2.453 59 N HA -0.146 4.593 4.740 -0.002 0.000 0.183 59 N C 0.793 176.391 175.510 0.146 0.000 1.041 59 N CA 1.463 54.589 53.050 0.127 0.000 0.900 59 N CB -1.010 37.528 38.487 0.085 0.000 0.961 59 N HN 0.639 nan 8.380 nan 0.000 0.443 60 D N -2.613 117.908 120.400 0.201 0.000 2.369 60 D HA 0.101 4.740 4.640 -0.002 0.000 0.211 60 D C -0.547 175.803 176.300 0.083 0.000 1.077 60 D CA -0.256 53.816 54.000 0.121 0.000 0.842 60 D CB -0.464 40.375 40.800 0.064 0.000 0.947 60 D HN 0.566 nan 8.370 nan 0.000 0.509 61 Y N -0.034 120.315 120.300 0.082 0.000 2.496 61 Y HA 0.559 5.107 4.550 -0.002 0.000 0.331 61 Y C 0.977 176.915 175.900 0.064 0.000 1.140 61 Y CA -0.635 57.514 58.100 0.080 0.000 1.166 61 Y CB 2.091 40.614 38.460 0.105 0.000 1.249 61 Y HN -0.218 nan 8.280 nan 0.000 0.479 62 T N 0.160 114.845 114.554 0.219 0.000 2.626 62 T HA 0.894 5.242 4.350 -0.002 0.000 0.279 62 T C -1.880 172.905 174.700 0.142 0.000 0.983 62 T CA -0.440 61.771 62.100 0.186 0.000 1.059 62 T CB 1.137 70.126 68.868 0.201 0.000 1.396 62 T HN 0.788 nan 8.240 nan 0.000 0.519 63 A N 1.086 124.014 122.820 0.180 0.000 2.491 63 A HA 0.670 4.989 4.320 -0.002 0.000 0.293 63 A C -0.968 176.713 177.584 0.161 0.000 1.047 63 A CA -0.444 51.663 52.037 0.117 0.000 0.735 63 A CB 0.916 19.941 19.000 0.041 0.000 1.281 63 A HN 1.413 nan 8.150 nan 0.000 0.398 64 V N 0.183 120.147 119.914 0.084 0.000 2.864 64 V HA 0.881 5.000 4.120 -0.002 0.000 0.314 64 V C -0.135 175.965 176.094 0.011 0.000 1.073 64 V CA -0.946 61.381 62.300 0.045 0.000 0.956 64 V CB 1.501 33.342 31.823 0.029 0.000 1.023 64 V HN 0.748 nan 8.190 nan 0.000 0.435 65 V N 3.392 123.276 119.914 -0.050 0.000 2.583 65 V HA 0.317 4.435 4.120 -0.002 0.000 0.287 65 V C 1.134 177.210 176.094 -0.030 0.000 1.051 65 V CA 0.619 62.864 62.300 -0.091 0.000 1.010 65 V CB 1.336 32.956 31.823 -0.337 0.000 0.988 65 V HN 1.078 nan 8.190 nan 0.000 0.478 66 V N 1.154 121.074 119.914 0.009 0.000 3.612 66 V HA 0.482 4.601 4.120 -0.002 0.000 0.268 66 V C 0.316 176.434 176.094 0.039 0.000 1.365 66 V CA 0.351 62.666 62.300 0.023 0.000 1.044 66 V CB 0.203 32.043 31.823 0.028 0.000 0.820 66 V HN 0.845 nan 8.190 nan 0.000 0.444 67 E N -0.283 119.954 120.200 0.062 0.000 2.347 67 E HA 0.561 4.910 4.350 -0.002 0.000 0.285 67 E C -1.446 175.244 176.600 0.150 0.000 0.925 67 E CA -0.194 56.258 56.400 0.086 0.000 0.779 67 E CB 2.428 32.172 29.700 0.074 0.000 1.233 67 E HN 0.222 nan 8.360 nan 0.000 0.414 68 T N 3.585 118.232 114.554 0.155 0.000 2.956 68 T HA 0.577 4.925 4.350 -0.002 0.000 0.312 68 T C -2.083 172.712 174.700 0.158 0.000 1.151 68 T CA -0.586 61.652 62.100 0.230 0.000 1.024 68 T CB 1.206 70.240 68.868 0.278 0.000 1.140 68 T HN 0.392 nan 8.240 nan 0.000 0.473 69 L N 4.043 125.370 121.223 0.173 0.000 2.408 69 L HA 0.982 5.321 4.340 -0.002 0.000 0.268 69 L C -1.197 175.734 176.870 0.102 0.000 0.986 69 L CA -0.203 54.704 54.840 0.112 0.000 0.820 69 L CB 1.681 43.800 42.059 0.100 0.000 1.303 69 L HN 0.874 nan 8.230 nan 0.000 0.411 70 A N 4.603 127.455 122.820 0.054 0.000 2.520 70 A HA 0.862 5.181 4.320 -0.002 0.000 0.298 70 A C -1.207 176.392 177.584 0.024 0.000 1.051 70 A CA -0.752 51.302 52.037 0.027 0.000 0.690 70 A CB 1.533 20.517 19.000 -0.028 0.000 1.281 70 A HN 0.677 nan 8.150 nan 0.000 0.402 71 R N 1.033 121.548 120.500 0.025 0.000 2.387 71 R HA 0.368 4.707 4.340 -0.002 0.000 0.314 71 R C -1.020 175.316 176.300 0.060 0.000 0.958 71 R CA -0.453 55.670 56.100 0.038 0.000 0.846 71 R CB 1.617 31.936 30.300 0.033 0.000 1.147 71 R HN 0.871 nan 8.270 nan 0.000 0.447 72 H N 3.037 122.080 119.070 -0.046 0.000 2.690 72 H HA 0.131 4.686 4.556 -0.002 0.000 0.280 72 H C 1.061 176.352 175.328 -0.062 0.000 1.138 72 H CA -0.614 55.396 56.048 -0.063 0.000 1.241 72 H CB 0.871 30.577 29.762 -0.093 0.000 1.394 72 H HN 0.491 nan 8.280 nan 0.000 0.489 73 V N 1.395 121.404 119.914 0.157 0.000 3.590 73 V HA 0.322 4.441 4.120 -0.002 0.000 0.265 73 V C 0.556 176.656 176.094 0.009 0.000 1.239 73 V CA 0.396 62.724 62.300 0.045 0.000 1.117 73 V CB -0.062 31.782 31.823 0.035 0.000 0.818 73 V HN 0.448 nan 8.190 nan 0.000 0.451 74 K N 0.572 121.000 120.400 0.046 0.000 2.525 74 K HA 0.738 5.057 4.320 -0.002 0.000 0.254 74 K C -0.658 175.929 176.600 -0.021 0.000 0.934 74 K CA -0.165 56.120 56.287 -0.004 0.000 0.802 74 K CB 2.473 34.988 32.500 0.026 0.000 1.295 74 K HN 0.345 nan 8.250 nan 0.000 0.433 75 A N 2.061 124.822 122.820 -0.099 0.000 2.425 75 A HA 0.475 4.794 4.320 -0.002 0.000 0.249 75 A C -0.734 176.856 177.584 0.010 0.000 1.084 75 A CA -0.263 51.720 52.037 -0.090 0.000 0.781 75 A CB 0.867 19.794 19.000 -0.122 0.000 1.019 75 A HN 0.405 nan 8.150 nan 0.000 0.490 76 V N 4.439 124.385 119.914 0.055 0.000 2.808 76 V HA 0.652 4.771 4.120 -0.002 0.000 0.308 76 V C -2.598 173.538 176.094 0.070 0.000 1.099 76 V CA -1.782 60.551 62.300 0.056 0.000 0.920 76 V CB 2.768 34.629 31.823 0.062 0.000 1.014 76 V HN 0.891 nan 8.190 nan 0.000 0.425 77 P HA 0.346 nan 4.420 nan 0.000 0.282 77 P C -0.394 176.998 177.300 0.152 0.000 1.259 77 P CA -0.087 63.083 63.100 0.115 0.000 0.826 77 P CB 0.981 32.732 31.700 0.086 0.000 1.064 78 T N -3.220 111.466 114.554 0.221 0.000 2.860 78 T HA 0.404 4.753 4.350 -0.002 0.000 0.299 78 T C 1.206 175.970 174.700 0.105 0.000 1.045 78 T CA 0.476 62.658 62.100 0.136 0.000 1.071 78 T CB -0.301 68.629 68.868 0.104 0.000 0.985 78 T HN 0.849 nan 8.240 nan 0.000 0.537 79 G N 0.838 109.663 108.800 0.043 0.000 2.176 79 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.253 79 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.253 79 G C 0.210 175.132 174.900 0.037 0.000 0.979 79 G CA 0.162 45.278 45.100 0.026 0.000 0.641 79 G HN 1.060 nan 8.290 nan 0.000 0.530 80 T N 0.297 114.878 114.554 0.045 0.000 2.909 80 T HA 0.588 4.937 4.350 -0.002 0.000 0.286 80 T C 0.401 175.115 174.700 0.023 0.000 1.002 80 T CA -0.275 61.847 62.100 0.036 0.000 1.074 80 T CB 1.728 70.622 68.868 0.042 0.000 0.984 80 T HN 0.448 nan 8.240 nan 0.000 0.495 81 R N 1.545 122.057 120.500 0.019 0.000 2.407 81 R HA 0.652 4.990 4.340 -0.002 0.000 0.303 81 R C -0.904 175.404 176.300 0.012 0.000 0.981 81 R CA -0.608 55.499 56.100 0.013 0.000 0.905 81 R CB 0.726 31.033 30.300 0.012 0.000 1.099 81 R HN 0.538 nan 8.270 nan 0.000 0.459 82 V N 0.571 120.489 119.914 0.008 0.000 2.876 82 V HA 0.846 4.964 4.120 -0.002 0.000 0.312 82 V C -0.721 175.377 176.094 0.006 0.000 1.085 82 V CA -1.074 61.229 62.300 0.006 0.000 0.945 82 V CB 1.873 33.695 31.823 -0.001 0.000 1.017 82 V HN 0.865 nan 8.190 nan 0.000 0.428 83 A N 3.530 126.356 122.820 0.009 0.000 2.269 83 A HA 0.763 5.082 4.320 -0.002 0.000 0.302 83 A C -0.344 177.249 177.584 0.014 0.000 1.266 83 A CA -0.491 51.554 52.037 0.014 0.000 0.894 83 A CB 0.545 19.556 19.000 0.017 0.000 1.147 83 A HN 1.348 nan 8.150 nan 0.000 0.537 84 V N 2.864 122.788 119.914 0.017 0.000 2.357 84 V HA 0.665 4.783 4.120 -0.002 0.000 0.284 84 V C 0.768 176.888 176.094 0.042 0.000 1.018 84 V CA -0.098 62.213 62.300 0.020 0.000 0.841 84 V CB 1.418 33.245 31.823 0.007 0.000 0.991 84 V HN 1.043 nan 8.190 nan 0.000 0.437 85 G N 3.335 112.168 108.800 0.056 0.000 2.461 85 G HA2 0.729 4.687 3.960 -0.002 0.000 0.323 85 G HA3 0.729 4.687 3.960 -0.002 0.000 0.323 85 G C -0.860 174.110 174.900 0.117 0.000 1.229 85 G CA -0.579 44.567 45.100 0.076 0.000 0.941 85 G HN 0.996 nan 8.290 nan 0.000 0.477 86 V N -0.362 119.638 119.914 0.143 0.000 2.876 86 V HA 0.923 5.042 4.120 -0.002 0.000 0.312 86 V C -0.663 175.550 176.094 0.199 0.000 1.085 86 V CA -1.441 60.987 62.300 0.213 0.000 0.945 86 V CB 2.010 33.996 31.823 0.271 0.000 1.017 86 V HN 0.932 nan 8.190 nan 0.000 0.428 87 R N 2.438 123.051 120.500 0.188 0.000 2.564 87 R HA 0.707 5.045 4.340 -0.002 0.000 0.284 87 R C -1.820 174.440 176.300 -0.067 0.000 1.031 87 R CA -0.601 55.539 56.100 0.067 0.000 0.904 87 R CB 2.447 32.759 30.300 0.020 0.000 1.199 87 R HN 0.774 nan 8.270 nan 0.000 0.443 88 V N 5.894 125.673 119.914 -0.225 0.000 2.439 88 V HA 0.040 4.159 4.120 -0.002 0.000 0.271 88 V C 1.151 177.048 176.094 -0.329 0.000 1.040 88 V CA 0.118 62.106 62.300 -0.520 0.000 1.002 88 V CB 1.201 32.690 31.823 -0.558 0.000 1.000 88 V HN 0.726 nan 8.190 nan 0.000 0.477 89 V N 2.153 121.872 119.914 -0.324 0.000 3.578 89 V HA 0.746 4.865 4.120 -0.002 0.000 0.290 89 V C 0.670 176.646 176.094 -0.197 0.000 1.376 89 V CA 0.656 62.832 62.300 -0.206 0.000 1.083 89 V CB 0.030 31.764 31.823 -0.148 0.000 0.911 89 V HN 0.935 nan 8.190 nan 0.000 0.433 90 G N -0.831 107.816 108.800 -0.255 0.000 2.442 90 G HA2 0.537 4.496 3.960 -0.002 0.000 0.296 90 G HA3 0.537 4.496 3.960 -0.002 0.000 0.296 90 G C -1.905 172.861 174.900 -0.224 0.000 1.564 90 G CA -0.167 44.814 45.100 -0.198 0.000 0.828 90 G HN 0.397 nan 8.290 nan 0.000 0.571 91 V N 0.327 120.143 119.914 -0.164 0.000 2.623 91 V HA 0.684 4.802 4.120 -0.002 0.000 0.304 91 V C -0.586 175.463 176.094 -0.075 0.000 1.054 91 V CA -0.691 61.525 62.300 -0.139 0.000 0.882 91 V CB 1.865 33.602 31.823 -0.143 0.000 1.002 91 V HN 0.794 nan 8.190 nan 0.000 0.424 92 V N 4.336 124.220 119.914 -0.050 0.000 2.482 92 V HA 0.822 4.941 4.120 -0.002 0.000 0.295 92 V C 0.867 176.971 176.094 0.015 0.000 1.026 92 V CA 0.518 62.808 62.300 -0.017 0.000 0.856 92 V CB 0.835 32.645 31.823 -0.021 0.000 1.001 92 V HN 1.296 nan 8.190 nan 0.000 0.424 93 G N 5.403 114.229 108.800 0.043 0.000 2.591 93 G HA2 -0.350 3.609 3.960 -0.002 0.000 0.298 93 G HA3 -0.350 3.609 3.960 -0.002 0.000 0.298 93 G C 0.658 175.661 174.900 0.171 0.000 1.195 93 G CA 0.777 45.931 45.100 0.090 0.000 0.989 93 G HN 1.182 nan 8.290 nan 0.000 0.551 94 N N 1.268 120.061 118.700 0.155 0.000 2.268 94 N HA 0.104 4.843 4.740 -0.002 0.000 0.204 94 N C 0.354 175.844 175.510 -0.033 0.000 1.124 94 N CA 0.234 53.351 53.050 0.111 0.000 0.838 94 N CB 0.149 38.723 38.487 0.145 0.000 0.994 94 N HN 0.496 nan 8.380 nan 0.000 0.489 95 R N 0.764 121.254 120.500 -0.016 0.000 2.229 95 R HA 0.374 4.713 4.340 -0.002 0.000 0.328 95 R C -0.774 175.469 176.300 -0.095 0.000 1.009 95 R CA -0.690 55.386 56.100 -0.041 0.000 0.864 95 R CB 1.417 31.707 30.300 -0.017 0.000 1.085 95 R HN -0.073 nan 8.270 nan 0.000 0.453 96 V N 3.607 123.448 119.914 -0.122 0.000 2.357 96 V HA 0.316 4.434 4.120 -0.002 0.000 0.284 96 V C 0.391 176.319 176.094 -0.275 0.000 1.018 96 V CA -0.833 61.315 62.300 -0.253 0.000 0.841 96 V CB 1.714 33.361 31.823 -0.293 0.000 0.991 96 V HN 0.526 nan 8.190 nan 0.000 0.437 97 K N 4.156 124.332 120.400 -0.374 0.000 2.183 97 K HA 0.630 4.949 4.320 -0.002 0.000 0.274 97 K C -1.484 174.769 176.600 -0.578 0.000 1.009 97 K CA -0.365 55.728 56.287 -0.324 0.000 0.888 97 K CB 0.797 33.173 32.500 -0.207 0.000 1.078 97 K HN 0.464 nan 8.250 nan 0.000 0.459 98 F N 2.159 121.781 119.950 -0.547 0.000 2.538 98 F HA 0.512 5.037 4.527 -0.002 0.000 0.325 98 F C 0.366 175.838 175.800 -0.547 0.000 1.066 98 F CA -0.847 56.752 58.000 -0.668 0.000 0.946 98 F CB 1.813 40.059 39.000 -1.256 0.000 1.199 98 F HN 0.288 nan 8.300 nan 0.000 0.473 99 R N 0.447 120.897 120.500 -0.083 0.000 2.589 99 R HA 0.769 5.108 4.340 -0.002 0.000 0.293 99 R C -0.395 175.990 176.300 0.141 0.000 0.963 99 R CA -0.928 55.184 56.100 0.020 0.000 0.905 99 R CB 2.026 32.332 30.300 0.009 0.000 1.144 99 R HN 0.889 nan 8.270 nan 0.000 0.459 100 G N 1.671 110.606 108.800 0.226 0.000 2.619 100 G HA2 0.711 4.669 3.960 -0.002 0.000 0.296 100 G HA3 0.711 4.669 3.960 -0.002 0.000 0.296 100 G C -1.617 173.364 174.900 0.136 0.000 1.334 100 G CA -0.501 44.745 45.100 0.243 0.000 0.934 100 G HN 0.522 nan 8.290 nan 0.000 0.476 101 I N 0.673 121.298 120.570 0.092 0.000 2.692 101 I HA 0.600 4.768 4.170 -0.002 0.000 0.293 101 I C -0.926 175.205 176.117 0.024 0.000 1.200 101 I CA -0.694 60.635 61.300 0.048 0.000 1.036 101 I CB 2.159 40.185 38.000 0.044 0.000 1.258 101 I HN 0.403 nan 8.210 nan 0.000 0.421 105 G N 4.625 113.433 108.800 0.014 0.000 2.602 105 G HA2 -0.281 3.677 3.960 -0.002 0.000 0.310 105 G HA3 -0.281 3.677 3.960 -0.002 0.000 0.310 105 G C 0.152 175.060 174.900 0.013 0.000 1.183 105 G CA 0.867 45.975 45.100 0.013 0.000 0.979 105 G HN 0.669 nan 8.290 nan 0.000 0.545 106 D N 2.729 123.136 120.400 0.012 0.000 2.395 106 D HA 0.466 5.105 4.640 -0.002 0.000 0.213 106 D C 1.187 177.494 176.300 0.011 0.000 1.110 106 D CA 1.105 55.111 54.000 0.011 0.000 0.835 106 D CB 0.315 41.121 40.800 0.010 0.000 0.965 106 D HN 0.902 nan 8.370 nan 0.000 0.505 107 E N 1.416 121.624 120.200 0.012 0.000 2.167 107 E HA 0.201 4.550 4.350 -0.002 0.000 0.284 107 E C 0.040 176.649 176.600 0.015 0.000 1.016 107 E CA -0.763 55.644 56.400 0.013 0.000 0.817 107 E CB 0.925 30.633 29.700 0.013 0.000 1.080 107 E HN 0.018 nan 8.360 nan 0.000 0.397 108 K N 2.970 123.380 120.400 0.016 0.000 2.379 108 K HA 0.171 4.489 4.320 -0.002 0.000 0.284 108 K C 0.175 176.791 176.600 0.026 0.000 1.044 108 K CA -0.407 55.891 56.287 0.018 0.000 0.974 108 K CB 0.357 32.867 32.500 0.018 0.000 0.962 108 K HN 0.527 nan 8.250 nan 0.000 0.474 109 I N 3.958 124.542 120.570 0.023 0.000 2.685 109 I HA 0.126 4.294 4.170 -0.002 0.000 0.251 109 I C 0.624 176.766 176.117 0.042 0.000 1.102 109 I CA 0.532 61.858 61.300 0.044 0.000 1.442 109 I CB -0.645 37.367 38.000 0.019 0.000 1.194 109 I HN 0.638 nan 8.210 nan 0.000 0.448 110 L N 0.782 121.986 121.223 -0.032 0.000 2.466 110 L HA 0.412 4.751 4.340 -0.002 0.000 0.258 110 L C -1.123 175.731 176.870 -0.026 0.000 0.973 110 L CA -0.384 54.416 54.840 -0.067 0.000 0.826 110 L CB 2.438 44.357 42.059 -0.232 0.000 1.372 110 L HN 0.282 nan 8.230 nan 0.000 0.409 111 E N 3.691 123.890 120.200 -0.002 0.000 2.336 111 E HA 0.889 5.238 4.350 -0.002 0.000 0.267 111 E C -1.662 174.967 176.600 0.050 0.000 0.906 111 E CA -1.100 55.319 56.400 0.031 0.000 0.781 111 E CB 2.552 32.274 29.700 0.037 0.000 1.261 111 E HN 0.773 nan 8.360 nan 0.000 0.436 112 A N 1.558 124.441 122.820 0.106 0.000 2.594 112 A HA 0.569 4.888 4.320 -0.002 0.000 0.295 112 A C -1.529 176.206 177.584 0.253 0.000 1.071 112 A CA -0.708 51.437 52.037 0.180 0.000 0.685 112 A CB 2.126 21.242 19.000 0.194 0.000 1.285 112 A HN 0.722 nan 8.150 nan 0.000 0.405 113 E N 0.828 121.196 120.200 0.280 0.000 2.263 113 E HA 0.683 5.031 4.350 -0.002 0.000 0.268 113 E C -1.743 175.053 176.600 0.326 0.000 0.884 113 E CA -0.510 56.009 56.400 0.198 0.000 0.766 113 E CB 1.316 31.070 29.700 0.090 0.000 1.196 113 E HN 0.853 nan 8.360 nan 0.000 0.416 114 F N 0.887 120.919 119.950 0.136 0.000 2.686 114 F HA 0.697 5.222 4.527 -0.002 0.000 0.311 114 F C -1.820 174.072 175.800 0.153 0.000 1.128 114 F CA -1.081 56.994 58.000 0.125 0.000 0.946 114 F CB 0.945 40.022 39.000 0.129 0.000 1.336 114 F HN 0.043 nan 8.300 nan 0.000 0.457 115 V N 2.210 122.269 119.914 0.242 0.000 2.487 115 V HA 0.589 4.708 4.120 -0.002 0.000 0.298 115 V C -0.424 175.771 176.094 0.168 0.000 1.028 115 V CA -0.789 61.596 62.300 0.141 0.000 0.860 115 V CB 1.795 33.659 31.823 0.068 0.000 0.991 115 V HN 0.784 nan 8.190 nan 0.000 0.427 116 R N 2.583 123.197 120.500 0.191 0.000 2.532 116 R HA 0.805 5.143 4.340 -0.002 0.000 0.295 116 R C -0.380 175.954 176.300 0.056 0.000 0.968 116 R CA -0.565 55.615 56.100 0.133 0.000 0.916 116 R CB 2.232 32.655 30.300 0.205 0.000 1.124 116 R HN 0.791 nan 8.270 nan 0.000 0.463 117 A N 4.241 127.079 122.820 0.030 0.000 2.260 117 A HA 0.425 4.743 4.320 -0.002 0.000 0.314 117 A C 0.113 177.690 177.584 -0.011 0.000 1.257 117 A CA -0.652 51.387 52.037 0.004 0.000 0.871 117 A CB 0.370 19.383 19.000 0.021 0.000 1.166 117 A HN 0.681 nan 8.150 nan 0.000 0.522 118 I N 2.990 123.509 120.570 -0.086 0.000 2.416 118 I HA 0.356 4.525 4.170 -0.002 0.000 0.288 118 I C -0.551 175.611 176.117 0.076 0.000 1.051 118 I CA -0.061 61.174 61.300 -0.109 0.000 1.375 118 I CB 1.091 38.763 38.000 -0.546 0.000 1.407 118 I HN 0.295 nan 8.210 nan 0.000 0.516 119 V N 7.635 127.637 119.914 0.147 0.000 2.888 119 V HA 0.340 4.459 4.120 -0.002 0.000 0.309 119 V C -2.445 173.641 176.094 -0.014 0.000 1.114 119 V CA -1.797 60.560 62.300 0.095 0.000 0.940 119 V CB 2.387 34.238 31.823 0.047 0.000 1.021 119 V HN 0.535 nan 8.190 nan 0.000 0.426 120 P HA 0.241 nan 4.420 nan 0.000 0.268 120 P C 0.662 177.880 177.300 -0.137 0.000 1.204 120 P CA 0.005 62.875 63.100 -0.385 0.000 0.768 120 P CB 0.564 32.035 31.700 -0.381 0.000 0.842 121 R N 2.581 123.030 120.500 -0.085 0.000 2.096 121 R HA -0.236 4.103 4.340 -0.002 0.000 0.240 121 R C 2.338 178.620 176.300 -0.030 0.000 1.139 121 R CA 2.370 58.459 56.100 -0.019 0.000 0.952 121 R CB -1.108 29.198 30.300 0.010 0.000 0.854 121 R HN 0.612 nan 8.270 nan 0.000 0.436 122 E N 1.831 122.001 120.200 -0.051 0.000 2.160 122 E HA -0.275 4.074 4.350 -0.002 0.000 0.195 122 E C 1.816 178.396 176.600 -0.034 0.000 0.991 122 E CA 1.887 58.264 56.400 -0.039 0.000 0.810 122 E CB -0.414 29.259 29.700 -0.046 0.000 0.742 122 E HN 0.265 nan 8.360 nan 0.000 0.466 123 K N -0.548 119.824 120.400 -0.046 0.000 2.097 123 K HA 0.042 4.361 4.320 -0.002 0.000 0.205 123 K C 1.934 178.526 176.600 -0.014 0.000 1.050 123 K CA 1.058 57.328 56.287 -0.029 0.000 0.938 123 K CB -0.353 32.126 32.500 -0.034 0.000 0.718 123 K HN 0.320 nan 8.250 nan 0.000 0.442 124 L N 0.897 122.113 121.223 -0.012 0.000 2.156 124 L HA 0.074 4.412 4.340 -0.002 0.000 0.208 124 L C 1.960 178.829 176.870 -0.002 0.000 1.095 124 L CA 1.415 56.255 54.840 -0.001 0.000 0.770 124 L CB -0.290 41.774 42.059 0.007 0.000 0.914 124 L HN 0.124 nan 8.230 nan 0.000 0.439 125 R N -1.158 119.339 120.500 -0.005 0.000 2.075 125 R HA -0.096 4.243 4.340 -0.002 0.000 0.232 125 R C 2.334 178.632 176.300 -0.004 0.000 1.126 125 R CA 1.304 57.401 56.100 -0.004 0.000 0.963 125 R CB -0.285 30.013 30.300 -0.005 0.000 0.858 125 R HN 0.291 nan 8.270 nan 0.000 0.435 126 R N 0.586 121.083 120.500 -0.005 0.000 2.073 126 R HA -0.088 4.251 4.340 -0.002 0.000 0.234 126 R C 2.384 178.683 176.300 -0.001 0.000 1.134 126 R CA 1.283 57.381 56.100 -0.004 0.000 0.952 126 R CB -0.441 29.856 30.300 -0.005 0.000 0.850 126 R HN 0.171 nan 8.270 nan 0.000 0.433 127 L N 0.088 121.311 121.223 -0.001 0.000 1.970 127 L HA -0.241 4.097 4.340 -0.002 0.000 0.212 127 L C 2.701 179.572 176.870 0.001 0.000 1.071 127 L CA 1.556 56.397 54.840 0.002 0.000 0.751 127 L CB -0.676 41.385 42.059 0.003 0.000 0.889 127 L HN 0.289 nan 8.230 nan 0.000 0.432 128 A N -0.148 122.672 122.820 0.001 0.000 1.917 128 A HA -0.191 4.128 4.320 -0.002 0.000 0.219 128 A C 2.128 179.711 177.584 -0.000 0.000 1.182 128 A CA 1.681 53.718 52.037 -0.000 0.000 0.633 128 A CB -0.770 18.229 19.000 -0.001 0.000 0.819 128 A HN 0.444 nan 8.150 nan 0.000 0.448 129 L N -0.816 120.406 121.223 -0.001 0.000 2.554 129 L HA 0.141 4.480 4.340 -0.002 0.000 0.226 129 L C 1.712 178.582 176.870 0.000 0.000 1.137 129 L CA 0.199 55.038 54.840 -0.001 0.000 0.863 129 L CB -0.925 41.133 42.059 -0.001 0.000 0.985 129 L HN 0.593 nan 8.230 nan 0.000 0.451 130 E N 0.000 120.200 120.200 0.001 0.000 2.725 130 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 130 E CA 0.000 56.401 56.400 0.001 0.000 0.976 130 E CB 0.000 29.701 29.700 0.002 0.000 0.812 130 E HN 0.000 nan 8.360 nan 0.000 0.440