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 1jog_1_A DATA FIRST_RESID 7 DATA SEQUENCE NLNVLDAAFY SLEQTVVQIS DRNWFDXQPS IVQDTLIAGA IQKFEFVYEL DATA SEQUENCE SLKXXKRQLQ QDAINTDDIG AYGFKDILRE ALRFGLIGDX SKWVAYRDXR DATA SEQUENCE NITSHTYDQE KAXAVYAQID DFLIESSFLL EQLRQ 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.499 175.510 -0.018 0.000 1.280 7 N CA 0.000 53.038 53.050 -0.020 0.000 0.885 7 N CB 0.000 38.474 38.487 -0.022 0.000 1.341 8 L N 1.742 122.953 121.223 -0.021 0.000 2.131 8 L HA 0.165 4.508 4.340 0.004 0.000 0.210 8 L C 1.501 178.364 176.870 -0.011 0.000 1.092 8 L CA 1.704 56.532 54.840 -0.021 0.000 0.759 8 L CB -0.859 41.183 42.059 -0.027 0.000 0.903 8 L HN 0.292 nan 8.230 nan 0.000 0.435 9 N N -0.683 118.010 118.700 -0.012 0.000 2.091 9 N HA -0.236 4.507 4.740 0.004 0.000 0.193 9 N C 1.902 177.419 175.510 0.012 0.000 1.021 9 N CA 1.951 54.997 53.050 -0.007 0.000 0.862 9 N CB -0.168 38.311 38.487 -0.014 0.000 1.018 9 N HN 0.488 nan 8.380 nan 0.000 0.429 10 V N 0.078 119.998 119.914 0.009 0.000 2.261 10 V HA -0.174 3.949 4.120 0.004 0.000 0.246 10 V C 2.258 178.386 176.094 0.056 0.000 1.047 10 V CA 1.403 63.713 62.300 0.018 0.000 1.015 10 V CB -1.000 30.819 31.823 -0.007 0.000 0.642 10 V HN 0.174 nan 8.190 nan 0.000 0.446 11 L N 1.405 122.658 121.223 0.051 0.000 2.042 11 L HA -0.185 4.158 4.340 0.004 0.000 0.210 11 L C 2.343 179.297 176.870 0.141 0.000 1.076 11 L CA 2.651 57.544 54.840 0.089 0.000 0.749 11 L CB -1.417 40.668 42.059 0.043 0.000 0.893 11 L HN 0.555 nan 8.230 nan 0.000 0.432 12 D N -0.733 119.723 120.400 0.094 0.000 2.117 12 D HA -0.155 4.488 4.640 0.004 0.000 0.198 12 D C 1.902 178.332 176.300 0.218 0.000 0.982 12 D CA 1.356 55.430 54.000 0.122 0.000 0.828 12 D CB 0.343 41.163 40.800 0.033 0.000 0.967 12 D HN 0.501 nan 8.370 nan 0.000 0.464 13 A N 0.551 123.462 122.820 0.152 0.000 2.016 13 A HA 0.175 4.497 4.320 0.004 0.000 0.217 13 A C 2.245 179.973 177.584 0.240 0.000 1.162 13 A CA 1.426 53.572 52.037 0.182 0.000 0.662 13 A CB -0.279 18.777 19.000 0.094 0.000 0.812 13 A HN 0.287 nan 8.150 nan 0.000 0.450 14 A N -0.791 122.161 122.820 0.220 0.000 1.872 14 A HA 0.036 4.359 4.320 0.004 0.000 0.214 14 A C 1.992 179.744 177.584 0.279 0.000 1.187 14 A CA 1.332 53.508 52.037 0.232 0.000 0.614 14 A CB -0.747 18.387 19.000 0.224 0.000 0.826 14 A HN 0.643 nan 8.150 nan 0.000 0.442 15 F N -0.645 119.422 119.950 0.195 0.000 2.065 15 F HA -0.297 4.232 4.527 0.004 0.000 0.298 15 F C 2.224 178.144 175.800 0.200 0.000 1.112 15 F CA 2.424 60.541 58.000 0.195 0.000 1.212 15 F CB -0.538 38.557 39.000 0.158 0.000 0.975 15 F HN 0.385 nan 8.300 nan 0.000 0.476 16 Y N 0.081 120.441 120.300 0.099 0.000 2.181 16 Y HA -0.205 4.348 4.550 0.004 0.000 0.288 16 Y C 2.778 178.637 175.900 -0.068 0.000 1.146 16 Y CA 1.780 59.868 58.100 -0.020 0.000 1.164 16 Y CB -0.819 37.721 38.460 0.132 0.000 0.982 16 Y HN 0.208 nan 8.280 nan 0.000 0.515 17 S N 0.095 115.834 115.700 0.066 0.000 2.382 17 S HA -0.184 4.289 4.470 0.004 0.000 0.228 17 S C 2.073 176.623 174.600 -0.084 0.000 1.027 17 S CA 1.297 59.480 58.200 -0.028 0.000 0.991 17 S CB -0.633 62.631 63.200 0.106 0.000 0.823 17 S HN 0.617 nan 8.310 nan 0.000 0.469 18 L N 1.018 122.204 121.223 -0.062 0.000 1.994 18 L HA -0.109 4.234 4.340 0.004 0.000 0.208 18 L C 2.639 179.404 176.870 -0.174 0.000 1.071 18 L CA 2.231 57.034 54.840 -0.062 0.000 0.745 18 L CB -0.658 41.390 42.059 -0.018 0.000 0.892 18 L HN 0.482 nan 8.230 nan 0.000 0.431 19 E N -0.733 119.253 120.200 -0.357 0.000 2.086 19 E HA -0.306 4.047 4.350 0.004 0.000 0.200 19 E C 2.134 178.563 176.600 -0.286 0.000 1.012 19 E CA 1.591 57.770 56.400 -0.370 0.000 0.812 19 E CB 0.078 29.470 29.700 -0.514 0.000 0.743 19 E HN 0.464 nan 8.360 nan 0.000 0.453 20 Q N -0.356 119.222 119.800 -0.371 0.000 2.170 20 Q HA -0.116 4.227 4.340 0.004 0.000 0.203 20 Q C 2.235 178.130 176.000 -0.175 0.000 0.976 20 Q CA 1.573 57.184 55.803 -0.319 0.000 0.858 20 Q CB -0.305 28.160 28.738 -0.455 0.000 0.907 20 Q HN 0.333 nan 8.270 nan 0.000 0.433 21 T N 0.738 115.221 114.554 -0.117 0.000 2.737 21 T HA -0.072 4.281 4.350 0.004 0.000 0.265 21 T C 2.088 176.788 174.700 -0.001 0.000 1.038 21 T CA 1.122 63.204 62.100 -0.031 0.000 1.144 21 T CB -0.170 68.711 68.868 0.022 0.000 0.866 21 T HN 0.031 nan 8.240 nan 0.000 0.434 22 V N 1.357 121.262 119.914 -0.015 0.000 2.343 22 V HA -0.157 3.965 4.120 0.004 0.000 0.247 22 V C 2.650 178.735 176.094 -0.016 0.000 1.051 22 V CA 1.295 63.607 62.300 0.019 0.000 1.036 22 V CB -0.669 31.122 31.823 -0.054 0.000 0.654 22 V HN 0.305 nan 8.190 nan 0.000 0.451 23 V N -0.548 119.324 119.914 -0.069 0.000 2.287 23 V HA -0.305 3.817 4.120 0.004 0.000 0.248 23 V C 2.605 178.663 176.094 -0.059 0.000 1.053 23 V CA 1.961 64.220 62.300 -0.069 0.000 1.027 23 V CB -0.678 31.086 31.823 -0.099 0.000 0.646 23 V HN 0.517 nan 8.190 nan 0.000 0.447 24 Q N -0.678 119.073 119.800 -0.082 0.000 2.124 24 Q HA -0.098 4.245 4.340 0.004 0.000 0.202 24 Q C 2.188 178.225 176.000 0.062 0.000 0.977 24 Q CA 1.651 57.394 55.803 -0.100 0.000 0.850 24 Q CB -0.344 28.277 28.738 -0.194 0.000 0.901 24 Q HN 0.626 nan 8.270 nan 0.000 0.429 25 I N 0.191 120.774 120.570 0.021 0.000 2.315 25 I HA -0.206 3.967 4.170 0.004 0.000 0.248 25 I C 1.907 177.898 176.117 -0.210 0.000 1.117 25 I CA 0.782 61.991 61.300 -0.152 0.000 1.404 25 I CB -0.138 37.722 38.000 -0.233 0.000 1.071 25 I HN 0.026 nan 8.210 nan 0.000 0.419 26 S N -0.394 115.272 115.700 -0.057 0.000 2.453 26 S HA -0.128 4.345 4.470 0.004 0.000 0.231 26 S C 0.994 175.613 174.600 0.032 0.000 1.005 26 S CA 0.460 58.646 58.200 -0.023 0.000 0.949 26 S CB -0.376 62.821 63.200 -0.006 0.000 0.774 26 S HN 0.379 nan 8.310 nan 0.000 0.510 27 D N 2.172 122.622 120.400 0.082 0.000 2.540 27 D HA 0.015 4.657 4.640 0.004 0.000 0.237 27 D C 1.162 177.606 176.300 0.240 0.000 1.181 27 D CA -0.012 54.078 54.000 0.151 0.000 1.119 27 D CB -0.048 40.854 40.800 0.169 0.000 1.119 27 D HN 0.153 nan 8.370 nan 0.000 0.498 28 R N 2.043 122.639 120.500 0.159 0.000 2.103 28 R HA -0.171 4.171 4.340 0.004 0.000 0.242 28 R C 1.526 177.937 176.300 0.184 0.000 1.142 28 R CA 0.847 57.050 56.100 0.172 0.000 0.960 28 R CB -0.261 30.100 30.300 0.102 0.000 0.858 28 R HN 0.464 nan 8.270 nan 0.000 0.439 29 N N -0.137 118.658 118.700 0.159 0.000 2.149 29 N HA -0.200 4.542 4.740 0.004 0.000 0.188 29 N C 1.462 177.070 175.510 0.164 0.000 1.019 29 N CA 1.167 54.297 53.050 0.132 0.000 0.857 29 N CB -0.237 38.324 38.487 0.122 0.000 0.997 29 N HN 0.349 nan 8.380 nan 0.000 0.426 30 W N 0.466 121.810 121.300 0.074 0.000 2.488 30 W HA 0.020 4.683 4.660 0.004 0.000 0.304 30 W C 2.140 178.716 176.519 0.095 0.000 1.175 30 W CA 0.424 57.810 57.345 0.070 0.000 1.365 30 W CB -0.863 28.640 29.460 0.071 0.000 1.131 30 W HN -0.069 nan 8.180 nan 0.000 0.520 31 F N 1.854 121.854 119.950 0.084 0.000 2.216 31 F HA -0.108 4.422 4.527 0.004 0.000 0.300 31 F C 1.258 176.926 175.800 -0.220 0.000 1.085 31 F CA 1.579 59.493 58.000 -0.145 0.000 1.326 31 F CB -0.686 38.371 39.000 0.096 0.000 1.027 31 F HN -0.288 nan 8.300 nan 0.000 0.497 35 P HA 0.122 nan 4.420 nan 0.000 0.272 35 P C 0.694 177.853 177.300 -0.234 0.000 1.230 35 P CA -0.040 62.930 63.100 -0.217 0.000 0.788 35 P CB 0.845 32.456 31.700 -0.148 0.000 0.949 36 S N 0.711 116.300 115.700 -0.184 0.000 2.381 36 S HA -0.227 4.246 4.470 0.004 0.000 0.230 36 S C 1.732 176.248 174.600 -0.140 0.000 1.052 36 S CA 1.509 59.612 58.200 -0.162 0.000 1.068 36 S CB -0.634 62.502 63.200 -0.107 0.000 0.918 36 S HN 0.502 nan 8.310 nan 0.000 0.448 37 I N 0.814 121.319 120.570 -0.108 0.000 2.546 37 I HA -0.008 4.165 4.170 0.004 0.000 0.255 37 I C 1.932 178.002 176.117 -0.079 0.000 1.163 37 I CA 0.830 62.086 61.300 -0.074 0.000 1.457 37 I CB -0.270 37.701 38.000 -0.049 0.000 1.092 37 I HN 0.149 nan 8.210 nan 0.000 0.434 38 V N 0.170 120.010 119.914 -0.122 0.000 2.323 38 V HA -0.277 3.845 4.120 0.004 0.000 0.244 38 V C 2.405 178.412 176.094 -0.146 0.000 1.041 38 V CA 1.827 64.058 62.300 -0.115 0.000 1.025 38 V CB -0.729 30.996 31.823 -0.164 0.000 0.656 38 V HN 0.453 nan 8.190 nan 0.000 0.451 39 Q N 0.287 119.899 119.800 -0.314 0.000 2.061 39 Q HA -0.251 4.092 4.340 0.004 0.000 0.204 39 Q C 2.018 178.007 176.000 -0.019 0.000 0.984 39 Q CA 1.927 57.477 55.803 -0.422 0.000 0.846 39 Q CB -0.332 28.003 28.738 -0.672 0.000 0.902 39 Q HN 0.855 nan 8.270 nan 0.000 0.421 40 D N -1.049 119.328 120.400 -0.038 0.000 2.289 40 D HA -0.066 4.576 4.640 0.004 0.000 0.207 40 D C 1.408 177.719 176.300 0.019 0.000 0.966 40 D CA 0.883 54.888 54.000 0.007 0.000 0.868 40 D CB -0.175 40.620 40.800 -0.008 0.000 0.943 40 D HN 0.007 nan 8.370 nan 0.000 0.514 41 T N 1.033 115.598 114.554 0.018 0.000 2.821 41 T HA 0.031 4.384 4.350 0.004 0.000 0.267 41 T C 2.075 176.809 174.700 0.057 0.000 1.046 41 T CA 0.429 62.549 62.100 0.034 0.000 1.139 41 T CB -0.113 68.774 68.868 0.031 0.000 0.871 41 T HN 0.136 nan 8.240 nan 0.000 0.454 42 L N 0.194 121.470 121.223 0.088 0.000 2.093 42 L HA 0.012 4.354 4.340 0.004 0.000 0.208 42 L C 2.317 179.223 176.870 0.061 0.000 1.085 42 L CA 1.104 56.021 54.840 0.127 0.000 0.755 42 L CB -0.346 41.870 42.059 0.262 0.000 0.904 42 L HN 0.295 nan 8.230 nan 0.000 0.435 43 I N -0.706 119.865 120.570 0.002 0.000 2.333 43 I HA -0.213 3.960 4.170 0.004 0.000 0.246 43 I C 2.750 178.865 176.117 -0.003 0.000 1.106 43 I CA 0.860 62.087 61.300 -0.122 0.000 1.411 43 I CB -0.329 37.549 38.000 -0.203 0.000 1.082 43 I HN 0.181 nan 8.210 nan 0.000 0.420 44 A N 1.058 123.886 122.820 0.014 0.000 1.892 44 A HA -0.195 4.127 4.320 0.004 0.000 0.218 44 A C 2.407 180.008 177.584 0.028 0.000 1.188 44 A CA 2.162 54.213 52.037 0.024 0.000 0.631 44 A CB -1.477 17.541 19.000 0.031 0.000 0.822 44 A HN 0.457 nan 8.150 nan 0.000 0.447 45 G N -0.814 108.013 108.800 0.044 0.000 2.418 45 G HA2 0.030 3.993 3.960 0.004 0.000 0.217 45 G HA3 0.030 3.993 3.960 0.004 0.000 0.217 45 G C 1.734 176.664 174.900 0.049 0.000 1.158 45 G CA 1.422 46.552 45.100 0.050 0.000 0.771 45 G HN 0.851 nan 8.290 nan 0.000 0.545 46 A N 0.621 123.495 122.820 0.091 0.000 1.933 46 A HA 0.075 4.398 4.320 0.004 0.000 0.218 46 A C 2.371 180.022 177.584 0.112 0.000 1.175 46 A CA 1.124 53.246 52.037 0.142 0.000 0.628 46 A CB -0.296 18.891 19.000 0.312 0.000 0.814 46 A HN 0.388 nan 8.150 nan 0.000 0.444 47 I N -1.001 119.623 120.570 0.091 0.000 2.353 47 I HA -0.241 3.932 4.170 0.004 0.000 0.248 47 I C 2.736 178.839 176.117 -0.023 0.000 1.119 47 I CA 1.710 63.050 61.300 0.067 0.000 1.417 47 I CB -0.269 37.752 38.000 0.036 0.000 1.078 47 I HN 0.459 nan 8.210 nan 0.000 0.421 48 Q N 1.535 121.253 119.800 -0.135 0.000 2.124 48 Q HA -0.200 4.143 4.340 0.004 0.000 0.202 48 Q C 2.046 177.576 176.000 -0.784 0.000 0.977 48 Q CA 1.714 57.272 55.803 -0.409 0.000 0.850 48 Q CB 0.041 28.597 28.738 -0.303 0.000 0.901 48 Q HN 0.306 nan 8.270 nan 0.000 0.429 49 K N -0.738 119.445 120.400 -0.362 0.000 2.155 49 K HA -0.088 4.235 4.320 0.004 0.000 0.203 49 K C 1.846 178.381 176.600 -0.110 0.000 1.052 49 K CA 1.073 57.257 56.287 -0.172 0.000 0.948 49 K CB -0.236 32.315 32.500 0.084 0.000 0.728 49 K HN 0.280 nan 8.250 nan 0.000 0.448 50 F N 2.552 122.378 119.950 -0.207 0.000 2.171 50 F HA -0.180 4.349 4.527 0.004 0.000 0.300 50 F C 1.704 177.349 175.800 -0.259 0.000 1.090 50 F CA 1.477 59.311 58.000 -0.277 0.000 1.293 50 F CB 0.051 38.809 39.000 -0.403 0.000 1.013 50 F HN 0.002 nan 8.300 nan 0.000 0.486 51 E N 0.210 119.972 120.200 -0.731 0.000 2.077 51 E HA -0.197 4.156 4.350 0.004 0.000 0.193 51 E C 2.172 178.624 176.600 -0.247 0.000 0.989 51 E CA 1.745 57.784 56.400 -0.600 0.000 0.800 51 E CB -0.504 28.971 29.700 -0.374 0.000 0.746 51 E HN 0.536 nan 8.360 nan 0.000 0.452 52 F N 0.593 120.489 119.950 -0.091 0.000 2.069 52 F HA -0.240 4.289 4.527 0.004 0.000 0.298 52 F C 2.465 178.282 175.800 0.029 0.000 1.113 52 F CA 0.473 58.469 58.000 -0.007 0.000 1.214 52 F CB -0.410 38.608 39.000 0.031 0.000 0.978 52 F HN -0.105 nan 8.300 nan 0.000 0.474 53 V N -0.422 119.655 119.914 0.272 0.000 2.343 53 V HA -0.333 3.790 4.120 0.004 0.000 0.247 53 V C 1.973 178.294 176.094 0.378 0.000 1.051 53 V CA 1.930 64.446 62.300 0.359 0.000 1.036 53 V CB -1.007 31.150 31.823 0.557 0.000 0.654 53 V HN 0.394 nan 8.190 nan 0.000 0.451 54 Y N 1.598 121.986 120.300 0.146 0.000 2.030 54 Y HA -0.316 4.236 4.550 0.004 0.000 0.274 54 Y C 2.550 178.577 175.900 0.210 0.000 1.153 54 Y CA 2.393 60.620 58.100 0.211 0.000 1.115 54 Y CB -0.558 37.667 38.460 -0.391 0.000 0.969 54 Y HN 0.273 nan 8.280 nan 0.000 0.488 55 E N -0.166 119.917 120.200 -0.195 0.000 2.049 55 E HA -0.212 4.141 4.350 0.004 0.000 0.198 55 E C 2.024 178.560 176.600 -0.107 0.000 1.007 55 E CA 1.898 58.193 56.400 -0.175 0.000 0.809 55 E CB -0.487 29.247 29.700 0.057 0.000 0.749 55 E HN 0.388 nan 8.360 nan 0.000 0.450 56 L N 0.354 121.580 121.223 0.006 0.000 2.046 56 L HA -0.135 4.208 4.340 0.004 0.000 0.208 56 L C 2.313 179.169 176.870 -0.023 0.000 1.077 56 L CA 1.609 56.457 54.840 0.013 0.000 0.747 56 L CB -1.210 40.892 42.059 0.072 0.000 0.896 56 L HN 0.068 nan 8.230 nan 0.000 0.432 57 S N -0.447 115.259 115.700 0.010 0.000 2.370 57 S HA -0.166 4.307 4.470 0.004 0.000 0.226 57 S C 2.003 176.486 174.600 -0.194 0.000 1.033 57 S CA 1.149 59.323 58.200 -0.044 0.000 1.011 57 S CB -0.315 62.947 63.200 0.103 0.000 0.852 57 S HN 0.289 nan 8.310 nan 0.000 0.457 58 L N 0.532 121.615 121.223 -0.233 0.000 2.240 58 L HA 0.065 4.408 4.340 0.004 0.000 0.211 58 L C 1.152 177.920 176.870 -0.171 0.000 1.106 58 L CA 0.892 55.587 54.840 -0.243 0.000 0.793 58 L CB -0.146 41.781 42.059 -0.220 0.000 0.927 58 L HN 0.069 nan 8.230 nan 0.000 0.446 63 R N 1.323 121.738 120.500 -0.141 0.000 2.159 63 R HA -0.145 4.197 4.340 0.004 0.000 0.237 63 R C 2.098 178.332 176.300 -0.110 0.000 1.131 63 R CA 2.062 58.096 56.100 -0.110 0.000 0.982 63 R CB 0.021 30.273 30.300 -0.079 0.000 0.868 63 R HN 0.169 nan 8.270 nan 0.000 0.453 64 Q N 0.592 120.313 119.800 -0.131 0.000 2.046 64 Q HA -0.100 4.242 4.340 0.004 0.000 0.200 64 Q C 1.805 177.740 176.000 -0.109 0.000 0.975 64 Q CA 1.603 57.346 55.803 -0.099 0.000 0.836 64 Q CB -0.131 28.539 28.738 -0.113 0.000 0.896 64 Q HN 0.351 nan 8.270 nan 0.000 0.428 65 L N 0.037 121.109 121.223 -0.252 0.000 2.217 65 L HA -0.093 4.249 4.340 0.004 0.000 0.211 65 L C 2.596 179.349 176.870 -0.195 0.000 1.107 65 L CA 1.244 55.889 54.840 -0.324 0.000 0.783 65 L CB -0.365 41.356 42.059 -0.564 0.000 0.919 65 L HN 0.352 nan 8.230 nan 0.000 0.442 66 Q N -0.297 119.392 119.800 -0.186 0.000 2.230 66 Q HA -0.174 4.169 4.340 0.004 0.000 0.202 66 Q C 2.022 177.982 176.000 -0.066 0.000 0.963 66 Q CA 1.179 56.900 55.803 -0.136 0.000 0.866 66 Q CB 0.253 28.912 28.738 -0.132 0.000 0.931 66 Q HN 0.563 nan 8.270 nan 0.000 0.452 67 Q N -0.763 119.010 119.800 -0.046 0.000 2.396 67 Q HA -0.028 4.315 4.340 0.004 0.000 0.220 67 Q C 1.207 177.214 176.000 0.012 0.000 0.900 67 Q CA 0.170 55.963 55.803 -0.018 0.000 0.925 67 Q CB 0.399 29.125 28.738 -0.019 0.000 1.065 67 Q HN 0.305 nan 8.270 nan 0.000 0.535 68 D N 0.938 121.365 120.400 0.044 0.000 2.106 68 D HA -0.136 4.506 4.640 0.004 0.000 0.194 68 D C 1.381 177.732 176.300 0.085 0.000 0.988 68 D CA 1.865 55.931 54.000 0.110 0.000 0.845 68 D CB 0.276 41.266 40.800 0.317 0.000 0.990 68 D HN 0.224 nan 8.370 nan 0.000 0.448 69 A N -0.131 122.759 122.820 0.117 0.000 2.127 69 A HA 0.235 4.558 4.320 0.004 0.000 0.204 69 A C 1.272 178.887 177.584 0.051 0.000 1.243 69 A CA -0.336 51.741 52.037 0.066 0.000 0.887 69 A CB 0.170 19.216 19.000 0.077 0.000 0.933 69 A HN 0.222 nan 8.150 nan 0.000 0.479 70 I N 2.392 122.995 120.570 0.054 0.000 2.741 70 I HA -0.116 4.057 4.170 0.004 0.000 0.288 70 I C -0.111 176.016 176.117 0.017 0.000 1.192 70 I CA 0.471 61.789 61.300 0.030 0.000 1.426 70 I CB 0.332 38.330 38.000 -0.004 0.000 1.367 70 I HN 0.371 nan 8.210 nan 0.000 0.563 71 N N 5.708 124.420 118.700 0.020 0.000 3.091 71 N HA 0.018 4.761 4.740 0.004 0.000 0.301 71 N C -0.373 175.144 175.510 0.012 0.000 1.325 71 N CA -0.097 52.962 53.050 0.014 0.000 1.143 71 N CB 0.047 38.544 38.487 0.016 0.000 1.450 71 N HN 0.645 nan 8.380 nan 0.000 0.542 72 T N 0.744 115.301 114.554 0.005 0.000 3.219 72 T HA -0.170 4.183 4.350 0.004 0.000 0.433 72 T C -0.339 174.368 174.700 0.011 0.000 0.771 72 T CA 0.646 62.746 62.100 -0.001 0.000 2.178 72 T CB -0.900 67.965 68.868 -0.004 0.000 1.666 72 T HN 0.423 nan 8.240 nan 0.000 0.607 73 D N 2.319 122.733 120.400 0.024 0.000 2.688 73 D HA 0.018 4.661 4.640 0.004 0.000 0.228 73 D C 0.737 177.075 176.300 0.063 0.000 1.116 73 D CA -0.207 53.823 54.000 0.049 0.000 1.023 73 D CB 0.143 40.989 40.800 0.077 0.000 1.100 73 D HN 0.545 nan 8.370 nan 0.000 0.487 74 D N 1.821 122.245 120.400 0.039 0.000 4.847 74 D HA -0.227 4.416 4.640 0.004 0.000 0.182 74 D C 0.319 176.665 176.300 0.076 0.000 1.235 74 D CA 0.265 54.289 54.000 0.040 0.000 0.808 74 D CB -0.245 40.580 40.800 0.040 0.000 1.100 74 D HN 0.490 nan 8.370 nan 0.000 0.586 75 I N 2.690 123.283 120.570 0.038 0.000 2.710 75 I HA -0.010 4.162 4.170 0.004 0.000 0.307 75 I C 1.783 177.973 176.117 0.121 0.000 1.175 75 I CA 0.343 61.684 61.300 0.068 0.000 2.125 75 I CB -0.132 37.693 38.000 -0.292 0.000 1.576 75 I HN 0.378 nan 8.210 nan 0.000 0.995 76 G N 2.165 111.062 108.800 0.162 0.000 2.768 76 G HA2 0.042 4.005 3.960 0.004 0.000 0.201 76 G HA3 0.042 4.005 3.960 0.004 0.000 0.201 76 G C 1.610 176.591 174.900 0.134 0.000 1.089 76 G CA 0.615 45.783 45.100 0.113 0.000 0.787 76 G HN 0.543 nan 8.290 nan 0.000 0.547 77 A N -0.034 122.867 122.820 0.135 0.000 2.139 77 A HA 0.084 4.406 4.320 0.004 0.000 0.221 77 A C 0.492 178.068 177.584 -0.014 0.000 1.159 77 A CA 0.512 52.565 52.037 0.027 0.000 0.662 77 A CB -0.586 18.387 19.000 -0.046 0.000 0.796 77 A HN 0.349 nan 8.150 nan 0.000 0.463 78 Y N -0.001 120.297 120.300 -0.003 0.000 2.365 78 Y HA 0.486 5.038 4.550 0.004 0.000 0.340 78 Y C 1.149 177.057 175.900 0.013 0.000 1.016 78 Y CA -0.174 57.921 58.100 -0.008 0.000 1.196 78 Y CB 0.718 39.157 38.460 -0.035 0.000 1.167 78 Y HN 0.156 nan 8.280 nan 0.000 0.509 79 G N 1.802 110.699 108.800 0.161 0.000 2.552 79 G HA2 0.181 4.144 3.960 0.004 0.000 0.318 79 G HA3 0.181 4.144 3.960 0.004 0.000 0.318 79 G C 0.407 175.427 174.900 0.199 0.000 1.240 79 G CA -0.597 44.603 45.100 0.167 0.000 1.002 79 G HN 0.634 nan 8.290 nan 0.000 0.493 80 F N 0.434 120.429 119.950 0.075 0.000 2.050 80 F HA -0.287 4.243 4.527 0.004 0.000 0.294 80 F C 2.662 178.505 175.800 0.073 0.000 1.113 80 F CA 2.602 60.651 58.000 0.080 0.000 1.225 80 F CB -0.102 38.963 39.000 0.108 0.000 0.953 80 F HN 0.437 nan 8.300 nan 0.000 0.501 81 K N -0.344 120.054 120.400 -0.004 0.000 2.280 81 K HA -0.171 4.152 4.320 0.004 0.000 0.202 81 K C 1.728 178.281 176.600 -0.078 0.000 1.047 81 K CA 1.362 57.589 56.287 -0.100 0.000 0.942 81 K CB -0.253 32.284 32.500 0.061 0.000 0.739 81 K HN 0.395 nan 8.250 nan 0.000 0.457 82 D N 0.652 121.053 120.400 0.001 0.000 2.120 82 D HA -0.081 4.561 4.640 0.004 0.000 0.202 82 D C 1.886 178.223 176.300 0.061 0.000 0.972 82 D CA 0.770 54.817 54.000 0.078 0.000 0.837 82 D CB 0.026 40.926 40.800 0.167 0.000 0.989 82 D HN 0.031 nan 8.370 nan 0.000 0.469 83 I N 1.291 121.853 120.570 -0.014 0.000 2.163 83 I HA -0.230 3.943 4.170 0.004 0.000 0.243 83 I C 2.556 178.501 176.117 -0.288 0.000 1.085 83 I CA 0.921 62.110 61.300 -0.186 0.000 1.347 83 I CB -0.962 36.917 38.000 -0.201 0.000 1.044 83 I HN 0.057 nan 8.210 nan 0.000 0.408 84 L N -0.122 120.891 121.223 -0.350 0.000 2.027 84 L HA -0.189 4.154 4.340 0.004 0.000 0.206 84 L C 2.813 179.559 176.870 -0.207 0.000 1.074 84 L CA 1.276 55.908 54.840 -0.346 0.000 0.745 84 L CB -0.663 41.162 42.059 -0.391 0.000 0.898 84 L HN 0.170 nan 8.230 nan 0.000 0.433 85 R N 0.039 120.457 120.500 -0.136 0.000 2.096 85 R HA -0.207 4.135 4.340 0.004 0.000 0.240 85 R C 2.282 178.540 176.300 -0.071 0.000 1.139 85 R CA 1.599 57.659 56.100 -0.068 0.000 0.952 85 R CB -0.240 30.046 30.300 -0.024 0.000 0.854 85 R HN 0.227 nan 8.270 nan 0.000 0.436 86 E N 0.362 120.491 120.200 -0.118 0.000 2.051 86 E HA -0.147 4.206 4.350 0.004 0.000 0.192 86 E C 1.911 178.282 176.600 -0.383 0.000 0.991 86 E CA 1.539 57.802 56.400 -0.229 0.000 0.799 86 E CB -0.328 29.158 29.700 -0.357 0.000 0.748 86 E HN 0.374 nan 8.360 nan 0.000 0.449 87 A N 0.338 122.929 122.820 -0.382 0.000 1.948 87 A HA -0.205 4.117 4.320 0.004 0.000 0.220 87 A C 2.177 179.690 177.584 -0.119 0.000 1.177 87 A CA 1.539 53.380 52.037 -0.327 0.000 0.636 87 A CB -0.660 18.131 19.000 -0.348 0.000 0.815 87 A HN 0.291 nan 8.150 nan 0.000 0.449 88 L N -0.619 120.560 121.223 -0.073 0.000 2.027 88 L HA -0.061 4.282 4.340 0.004 0.000 0.206 88 L C 2.447 179.370 176.870 0.088 0.000 1.074 88 L CA 1.635 56.478 54.840 0.005 0.000 0.745 88 L CB -0.499 41.558 42.059 -0.003 0.000 0.898 88 L HN 0.271 nan 8.230 nan 0.000 0.433 89 R N -1.055 119.530 120.500 0.142 0.000 2.170 89 R HA -0.169 4.173 4.340 0.004 0.000 0.242 89 R C 1.467 178.013 176.300 0.410 0.000 1.145 89 R CA 1.312 57.570 56.100 0.263 0.000 0.984 89 R CB -0.362 30.158 30.300 0.366 0.000 0.869 89 R HN 0.345 nan 8.270 nan 0.000 0.455 90 F N -0.684 119.240 119.950 -0.042 0.000 2.664 90 F HA 0.283 4.813 4.527 0.005 0.000 0.303 90 F C 1.454 177.232 175.800 -0.036 0.000 1.092 90 F CA -0.135 57.840 58.000 -0.042 0.000 1.305 90 F CB -0.133 38.833 39.000 -0.057 0.000 1.054 90 F HN 0.121 nan 8.300 nan 0.000 0.565 91 G N 0.912 109.802 108.800 0.148 0.000 2.283 91 G HA2 -0.313 3.649 3.960 0.004 0.000 0.280 91 G HA3 -0.313 3.649 3.960 0.004 0.000 0.280 91 G C 1.179 176.123 174.900 0.072 0.000 1.029 91 G CA 0.675 45.823 45.100 0.081 0.000 0.840 91 G HN 0.462 nan 8.290 nan 0.000 0.505 92 L N -0.858 120.395 121.223 0.051 0.000 2.162 92 L HA 0.303 4.645 4.340 0.004 0.000 0.205 92 L C 1.909 178.774 176.870 -0.008 0.000 1.086 92 L CA 1.390 56.230 54.840 0.001 0.000 0.778 92 L CB -0.211 41.800 42.059 -0.079 0.000 0.928 92 L HN 0.639 nan 8.230 nan 0.000 0.446 93 I N -5.616 114.940 120.570 -0.024 0.000 3.264 93 I HA 0.619 4.791 4.170 0.004 0.000 0.309 93 I C 0.762 176.910 176.117 0.052 0.000 1.099 93 I CA -0.679 60.651 61.300 0.051 0.000 0.989 93 I CB 1.672 39.660 38.000 -0.020 0.000 1.250 93 I HN -0.176 nan 8.210 nan 0.000 0.478 94 G N -0.170 108.669 108.800 0.066 0.000 2.801 94 G HA2 0.181 4.144 3.960 0.004 0.000 0.213 94 G HA3 0.181 4.144 3.960 0.004 0.000 0.213 94 G C -0.268 174.642 174.900 0.017 0.000 1.052 94 G CA 0.251 45.355 45.100 0.006 0.000 0.868 94 G HN 0.680 nan 8.290 nan 0.000 0.589 98 K N 0.928 121.225 120.400 -0.171 0.000 2.057 98 K HA 0.053 4.375 4.320 0.004 0.000 0.206 98 K C 1.377 177.472 176.600 -0.842 0.000 1.050 98 K CA 1.931 57.891 56.287 -0.544 0.000 0.935 98 K CB -0.241 31.909 32.500 -0.582 0.000 0.715 98 K HN 0.498 nan 8.250 nan 0.000 0.439 99 W N 0.457 121.638 121.300 -0.198 0.000 2.402 99 W HA -0.113 4.549 4.660 0.004 0.000 0.286 99 W C 1.950 178.678 176.519 0.349 0.000 1.221 99 W CA 0.303 57.752 57.345 0.173 0.000 1.257 99 W CB -0.391 29.221 29.460 0.252 0.000 1.120 99 W HN -0.181 nan 8.180 nan 0.000 0.551 100 V N 0.504 120.651 119.914 0.388 0.000 2.407 100 V HA -0.289 3.833 4.120 0.004 0.000 0.248 100 V C 2.302 178.506 176.094 0.184 0.000 1.055 100 V CA 2.010 64.562 62.300 0.419 0.000 1.049 100 V CB -1.317 30.662 31.823 0.261 0.000 0.662 100 V HN 0.217 nan 8.190 nan 0.000 0.455 101 A N -1.414 121.404 122.820 -0.003 0.000 1.929 101 A HA -0.165 4.158 4.320 0.004 0.000 0.216 101 A C 2.067 179.664 177.584 0.021 0.000 1.176 101 A CA 1.360 53.359 52.037 -0.064 0.000 0.628 101 A CB -0.704 18.191 19.000 -0.174 0.000 0.816 101 A HN 0.622 nan 8.150 nan 0.000 0.444 102 Y N -0.678 119.678 120.300 0.092 0.000 2.274 102 Y HA -0.231 4.321 4.550 0.004 0.000 0.290 102 Y C 2.715 178.522 175.900 -0.155 0.000 1.145 102 Y CA 1.270 59.419 58.100 0.082 0.000 1.203 102 Y CB -0.123 38.516 38.460 0.298 0.000 0.984 102 Y HN 0.311 nan 8.280 nan 0.000 0.533 103 R N 0.880 121.402 120.500 0.036 0.000 2.062 103 R HA -0.102 4.241 4.340 0.004 0.000 0.229 103 R C 0.464 176.641 176.300 -0.206 0.000 1.128 103 R CA 1.044 56.974 56.100 -0.284 0.000 0.960 103 R CB -0.216 29.828 30.300 -0.426 0.000 0.855 103 R HN 0.165 nan 8.270 nan 0.000 0.432 107 N N 1.934 120.528 118.700 -0.177 0.000 2.571 107 N HA 0.004 4.746 4.740 0.004 0.000 0.189 107 N C 1.370 176.739 175.510 -0.235 0.000 1.154 107 N CA 1.372 54.321 53.050 -0.168 0.000 0.907 107 N CB 0.203 38.605 38.487 -0.143 0.000 0.977 107 N HN 0.601 nan 8.380 nan 0.000 0.449 108 I N -3.176 117.246 120.570 -0.247 0.000 4.154 108 I HA 0.157 4.329 4.170 0.004 0.000 0.334 108 I C 1.575 177.496 176.117 -0.326 0.000 1.371 108 I CA 0.064 61.135 61.300 -0.382 0.000 1.110 108 I CB -0.258 37.607 38.000 -0.224 0.000 1.085 108 I HN -0.185 nan 8.210 nan 0.000 0.398 109 T N -0.479 113.956 114.554 -0.199 0.000 2.929 109 T HA -0.145 4.207 4.350 0.004 0.000 0.271 109 T C 1.904 176.533 174.700 -0.118 0.000 1.085 109 T CA 1.573 63.596 62.100 -0.128 0.000 1.125 109 T CB -0.721 68.112 68.868 -0.057 0.000 0.874 109 T HN 0.577 nan 8.240 nan 0.000 0.494 110 S N 0.762 116.367 115.700 -0.157 0.000 2.547 110 S HA -0.092 4.381 4.470 0.004 0.000 0.235 110 S C 1.389 176.056 174.600 0.112 0.000 0.980 110 S CA 0.345 58.536 58.200 -0.014 0.000 0.941 110 S CB -0.662 62.546 63.200 0.013 0.000 0.763 110 S HN 0.668 nan 8.310 nan 0.000 0.532 111 H N 0.550 119.514 119.070 -0.176 0.000 2.551 111 H HA 0.331 4.889 4.556 0.004 0.000 0.271 111 H C 1.565 176.456 175.328 -0.728 0.000 0.984 111 H CA 0.070 55.813 56.048 -0.509 0.000 1.164 111 H CB -0.686 28.888 29.762 -0.313 0.000 1.437 111 H HN 0.335 nan 8.280 nan 0.000 0.550 112 T N 1.311 115.703 114.554 -0.270 0.000 3.139 112 T HA -0.140 4.213 4.350 0.004 0.000 0.267 112 T C 1.338 175.941 174.700 -0.163 0.000 1.164 112 T CA 0.713 62.698 62.100 -0.192 0.000 1.075 112 T CB -0.487 68.332 68.868 -0.082 0.000 0.904 112 T HN 0.589 nan 8.240 nan 0.000 0.540 113 Y N 0.476 120.801 120.300 0.042 0.000 2.616 113 Y HA 0.277 4.829 4.550 0.004 0.000 0.296 113 Y C 0.586 176.495 175.900 0.014 0.000 1.154 113 Y CA -0.966 57.148 58.100 0.024 0.000 1.325 113 Y CB -0.561 37.913 38.460 0.023 0.000 1.007 113 Y HN 0.018 nan 8.280 nan 0.000 0.542 114 D N 0.885 121.172 120.400 -0.188 0.000 2.359 114 D HA 0.081 4.723 4.640 0.004 0.000 0.230 114 D C 0.935 177.205 176.300 -0.050 0.000 1.118 114 D CA -0.223 53.746 54.000 -0.051 0.000 0.844 114 D CB 1.022 41.736 40.800 -0.143 0.000 1.059 114 D HN 0.036 nan 8.370 nan 0.000 0.493 115 Q N 2.320 122.120 119.800 -0.001 0.000 2.217 115 Q HA -0.186 4.157 4.340 0.004 0.000 0.209 115 Q C 1.096 177.085 176.000 -0.018 0.000 0.988 115 Q CA 1.307 57.106 55.803 -0.007 0.000 0.878 115 Q CB 0.185 28.925 28.738 0.004 0.000 0.909 115 Q HN 0.629 nan 8.270 nan 0.000 0.424 116 E N 0.331 120.518 120.200 -0.021 0.000 2.072 116 E HA -0.070 4.282 4.350 0.004 0.000 0.190 116 E C 1.889 178.469 176.600 -0.034 0.000 0.982 116 E CA 0.704 57.091 56.400 -0.022 0.000 0.803 116 E CB -0.044 29.645 29.700 -0.018 0.000 0.755 116 E HN 0.340 nan 8.360 nan 0.000 0.453 117 K N 0.737 121.105 120.400 -0.054 0.000 2.097 117 K HA 0.022 4.345 4.320 0.004 0.000 0.205 117 K C 1.258 177.818 176.600 -0.066 0.000 1.050 117 K CA 0.636 56.883 56.287 -0.067 0.000 0.938 117 K CB -0.016 32.428 32.500 -0.094 0.000 0.718 117 K HN 0.012 nan 8.250 nan 0.000 0.442 121 V N -0.153 119.705 119.914 -0.093 0.000 2.548 121 V HA -0.162 3.961 4.120 0.004 0.000 0.249 121 V C 2.143 178.107 176.094 -0.218 0.000 1.055 121 V CA 2.264 64.450 62.300 -0.190 0.000 1.065 121 V CB -0.770 30.934 31.823 -0.198 0.000 0.681 121 V HN 0.657 nan 8.190 nan 0.000 0.462 122 Y N 1.500 121.682 120.300 -0.196 0.000 2.242 122 Y HA -0.117 4.436 4.550 0.004 0.000 0.291 122 Y C 2.364 178.165 175.900 -0.165 0.000 1.137 122 Y CA 1.260 59.250 58.100 -0.183 0.000 1.181 122 Y CB -0.379 38.006 38.460 -0.125 0.000 0.989 122 Y HN 0.160 nan 8.280 nan 0.000 0.527 123 A N 0.110 122.878 122.820 -0.086 0.000 2.076 123 A HA -0.243 4.080 4.320 0.004 0.000 0.220 123 A C 1.942 179.403 177.584 -0.206 0.000 1.160 123 A CA 1.903 53.868 52.037 -0.119 0.000 0.653 123 A CB -0.592 18.388 19.000 -0.034 0.000 0.801 123 A HN 0.709 nan 8.150 nan 0.000 0.455 124 Q N -0.875 118.776 119.800 -0.248 0.000 2.403 124 Q HA 0.211 4.554 4.340 0.004 0.000 0.203 124 Q C 1.507 177.340 176.000 -0.279 0.000 0.932 124 Q CA 0.165 55.835 55.803 -0.222 0.000 0.945 124 Q CB -0.060 28.543 28.738 -0.224 0.000 1.045 124 Q HN 0.739 nan 8.270 nan 0.000 0.511 125 I N 1.104 121.424 120.570 -0.417 0.000 2.315 125 I HA -0.270 3.903 4.170 0.004 0.000 0.248 125 I C 1.555 177.577 176.117 -0.158 0.000 1.117 125 I CA 0.965 62.049 61.300 -0.360 0.000 1.404 125 I CB -0.194 37.482 38.000 -0.540 0.000 1.071 125 I HN 0.196 nan 8.210 nan 0.000 0.419 126 D N 0.865 121.153 120.400 -0.187 0.000 2.116 126 D HA -0.269 4.374 4.640 0.004 0.000 0.193 126 D C 1.691 177.984 176.300 -0.012 0.000 0.998 126 D CA 1.988 55.934 54.000 -0.090 0.000 0.836 126 D CB -0.383 40.365 40.800 -0.086 0.000 0.951 126 D HN 0.406 nan 8.370 nan 0.000 0.449 127 D N -0.146 120.255 120.400 0.001 0.000 2.117 127 D HA -0.178 4.465 4.640 0.004 0.000 0.198 127 D C 1.991 178.334 176.300 0.072 0.000 0.982 127 D CA 0.502 54.537 54.000 0.058 0.000 0.828 127 D CB -0.407 40.443 40.800 0.084 0.000 0.967 127 D HN 0.093 nan 8.370 nan 0.000 0.464 128 F N 0.898 120.755 119.950 -0.155 0.000 2.126 128 F HA -0.115 4.415 4.527 0.005 0.000 0.299 128 F C 2.007 177.761 175.800 -0.077 0.000 1.096 128 F CA 1.319 59.103 58.000 -0.359 0.000 1.255 128 F CB -0.368 38.379 39.000 -0.422 0.000 0.997 128 F HN 0.012 nan 8.300 nan 0.000 0.479 129 L N -0.368 120.881 121.223 0.043 0.000 2.079 129 L HA -0.251 4.092 4.340 0.004 0.000 0.210 129 L C 2.442 179.391 176.870 0.132 0.000 1.081 129 L CA 1.401 56.294 54.840 0.090 0.000 0.752 129 L CB -0.672 41.430 42.059 0.071 0.000 0.896 129 L HN 0.184 nan 8.230 nan 0.000 0.433 130 I N -0.627 120.007 120.570 0.107 0.000 2.142 130 I HA -0.265 3.907 4.170 0.004 0.000 0.240 130 I C 2.645 178.936 176.117 0.291 0.000 1.078 130 I CA 1.237 62.661 61.300 0.206 0.000 1.343 130 I CB -0.299 37.823 38.000 0.204 0.000 1.046 130 I HN 0.206 nan 8.210 nan 0.000 0.405 131 E N 0.618 120.902 120.200 0.140 0.000 2.058 131 E HA -0.203 4.149 4.350 0.004 0.000 0.194 131 E C 2.415 179.134 176.600 0.198 0.000 0.997 131 E CA 1.866 58.356 56.400 0.150 0.000 0.801 131 E CB -0.632 29.075 29.700 0.012 0.000 0.746 131 E HN 0.577 nan 8.360 nan 0.000 0.450 132 S N 0.438 116.057 115.700 -0.135 0.000 2.368 132 S HA -0.137 4.336 4.470 0.004 0.000 0.225 132 S C 2.247 176.827 174.600 -0.034 0.000 1.030 132 S CA 1.668 59.821 58.200 -0.079 0.000 0.999 132 S CB -0.382 62.441 63.200 -0.627 0.000 0.844 132 S HN 0.148 nan 8.310 nan 0.000 0.459 133 S N 0.077 115.741 115.700 -0.059 0.000 2.423 133 S HA 0.040 4.512 4.470 0.004 0.000 0.231 133 S C 1.383 175.910 174.600 -0.121 0.000 1.014 133 S CA 0.731 58.739 58.200 -0.319 0.000 0.965 133 S CB -0.684 62.439 63.200 -0.128 0.000 0.785 133 S HN 0.546 nan 8.310 nan 0.000 0.495 134 F N 1.233 121.160 119.950 -0.039 0.000 2.163 134 F HA 0.051 4.581 4.527 0.004 0.000 0.297 134 F C 2.023 177.817 175.800 -0.010 0.000 1.094 134 F CA 1.099 59.097 58.000 -0.004 0.000 1.290 134 F CB -0.570 38.462 39.000 0.054 0.000 1.017 134 F HN 0.254 nan 8.300 nan 0.000 0.483 135 L N 0.231 121.597 121.223 0.239 0.000 1.990 135 L HA -0.237 4.105 4.340 0.004 0.000 0.213 135 L C 2.139 179.006 176.870 -0.005 0.000 1.072 135 L CA 1.769 56.672 54.840 0.105 0.000 0.755 135 L CB -1.044 41.073 42.059 0.096 0.000 0.889 135 L HN 0.222 nan 8.230 nan 0.000 0.432 136 L N -0.967 120.209 121.223 -0.078 0.000 2.187 136 L HA -0.217 4.125 4.340 0.004 0.000 0.213 136 L C 2.456 179.253 176.870 -0.122 0.000 1.100 136 L CA 1.146 55.897 54.840 -0.148 0.000 0.765 136 L CB -0.242 41.626 42.059 -0.318 0.000 0.904 136 L HN 0.381 nan 8.230 nan 0.000 0.437 137 E N -0.357 119.779 120.200 -0.107 0.000 2.015 137 E HA -0.213 4.140 4.350 0.004 0.000 0.191 137 E C 2.201 178.781 176.600 -0.033 0.000 0.991 137 E CA 1.099 57.447 56.400 -0.087 0.000 0.802 137 E CB -0.205 29.430 29.700 -0.108 0.000 0.759 137 E HN 0.397 nan 8.360 nan 0.000 0.447 138 Q N 0.034 119.840 119.800 0.011 0.000 2.096 138 Q HA -0.119 4.223 4.340 0.004 0.000 0.204 138 Q C 2.465 178.463 176.000 -0.003 0.000 0.982 138 Q CA 1.059 56.875 55.803 0.021 0.000 0.850 138 Q CB -0.444 28.323 28.738 0.048 0.000 0.901 138 Q HN 0.344 nan 8.270 nan 0.000 0.422 139 L N 0.073 121.282 121.223 -0.022 0.000 2.275 139 L HA -0.104 4.238 4.340 0.004 0.000 0.215 139 L C 2.626 179.475 176.870 -0.034 0.000 1.119 139 L CA 0.671 55.492 54.840 -0.032 0.000 0.790 139 L CB -0.357 41.671 42.059 -0.051 0.000 0.919 139 L HN 0.148 nan 8.230 nan 0.000 0.443 140 R N 0.100 120.575 120.500 -0.042 0.000 2.081 140 R HA -0.115 4.228 4.340 0.004 0.000 0.235 140 R C 1.110 177.391 176.300 -0.031 0.000 1.131 140 R CA 0.987 57.061 56.100 -0.044 0.000 0.960 140 R CB 0.081 30.348 30.300 -0.056 0.000 0.856 140 R HN 0.424 nan 8.270 nan 0.000 0.436 141 Q N 0.000 119.786 119.800 -0.023 0.000 2.315 141 Q HA 0.000 4.343 4.340 0.004 0.000 0.214 141 Q CA 0.000 55.793 55.803 -0.016 0.000 1.022 141 Q CB 0.000 28.732 28.738 -0.010 0.000 1.108 141 Q HN 0.000 nan 8.270 nan 0.000 0.481