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 2e4m_1_B DATA FIRST_RESID 2 DATA SEQUENCE SQTNANDLRN NEVFFISPSN NTNKVLDKIS QSEVKLWNKL SGANQKWRLI DATA SEQUENCE YDTNKQAYTI KVMDNTSLIL TWDAPLSSVS VKTDTNTNNQ YWYLLQDYIS DATA SEQUENCE RNVILRNYMN PNLVLQYNTD DTLIVSTQTN SNNQFFKFSN CIYEALNNRN DATA SEQUENCE CKLQTQLNSD RFLSKNLNSQ IIVLWQWFDS SRQKWTIEYN ETKSAYTLKC DATA SEQUENCE QENNRYLTWI QNSNNYVETY QSTDSLIQYW NINYLDNDAS KYILYNLQDT DATA SEQUENCE NRVLDVYNSQ TANGTHVIVD SYHGNTNQQW IINLI 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.571 174.600 -0.048 0.000 1.055 2 S CA 0.000 58.142 58.200 -0.097 0.000 1.107 2 S CB 0.000 63.146 63.200 -0.090 0.000 0.593 3 Q N 1.404 121.181 119.800 -0.039 0.000 2.026 3 Q HA -0.223 4.117 4.340 -0.000 0.000 0.307 3 Q C 0.471 176.475 176.000 0.005 0.000 2.333 3 Q CA 2.725 58.528 55.803 -0.000 0.000 0.744 3 Q CB -1.699 27.051 28.738 0.020 0.000 1.401 3 Q HN 0.897 nan 8.270 nan 0.000 0.684 4 T N 0.561 115.114 114.554 -0.001 0.000 2.934 4 T HA 0.181 4.531 4.350 -0.000 0.000 0.306 4 T C 0.988 175.639 174.700 -0.081 0.000 1.042 4 T CA 0.460 62.535 62.100 -0.042 0.000 1.145 4 T CB 0.049 68.813 68.868 -0.173 0.000 0.982 4 T HN 0.602 nan 8.240 nan 0.000 0.544 5 N N 3.590 122.274 118.700 -0.027 0.000 2.398 5 N HA 0.139 4.879 4.740 -0.000 0.000 0.188 5 N C 1.579 177.038 175.510 -0.086 0.000 1.122 5 N CA 0.691 53.735 53.050 -0.011 0.000 0.866 5 N CB -0.228 38.294 38.487 0.058 0.000 0.970 5 N HN 0.544 nan 8.380 nan 0.000 0.462 6 A N 0.673 123.274 122.820 -0.365 0.000 2.067 6 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 6 A C 1.409 178.787 177.584 -0.344 0.000 1.158 6 A CA 0.936 52.560 52.037 -0.688 0.000 0.661 6 A CB -0.705 17.186 19.000 -1.849 0.000 0.801 6 A HN 0.518 nan 8.150 nan 0.000 0.452 7 N N 0.378 118.970 118.700 -0.180 0.000 2.322 7 N HA 0.074 4.814 4.740 -0.000 0.000 0.194 7 N C -0.847 174.803 175.510 0.235 0.000 1.126 7 N CA -0.197 52.920 53.050 0.112 0.000 0.845 7 N CB 0.229 38.777 38.487 0.102 0.000 0.976 7 N HN 0.323 nan 8.380 nan 0.000 0.475 8 D N 0.676 121.150 120.400 0.123 0.000 2.400 8 D HA 0.003 4.643 4.640 -0.000 0.000 0.238 8 D C 0.639 177.035 176.300 0.160 0.000 1.157 8 D CA 0.187 54.242 54.000 0.091 0.000 0.889 8 D CB 0.898 41.734 40.800 0.060 0.000 1.199 8 D HN 0.094 nan 8.370 nan 0.000 0.436 9 L N 2.125 123.332 121.223 -0.028 0.000 2.821 9 L HA 0.096 4.436 4.340 -0.000 0.000 0.239 9 L C 0.926 177.842 176.870 0.076 0.000 1.391 9 L CA -0.033 54.700 54.840 -0.179 0.000 1.231 9 L CB -0.624 41.186 42.059 -0.415 0.000 1.598 9 L HN 0.012 nan 8.230 nan 0.000 0.428 10 R N 0.545 121.187 120.500 0.237 0.000 2.643 10 R HA 0.009 4.349 4.340 -0.000 0.000 0.270 10 R C 0.413 176.877 176.300 0.273 0.000 1.061 10 R CA -0.503 55.718 56.100 0.201 0.000 1.107 10 R CB 0.323 30.732 30.300 0.182 0.000 0.999 10 R HN 0.178 nan 8.270 nan 0.000 0.460 11 N N 2.069 120.875 118.700 0.177 0.000 2.412 11 N HA -0.126 4.614 4.740 -0.000 0.000 0.254 11 N C -0.166 175.457 175.510 0.188 0.000 1.232 11 N CA 0.679 53.854 53.050 0.207 0.000 0.880 11 N CB 0.291 38.845 38.487 0.111 0.000 1.076 11 N HN 0.554 nan 8.380 nan 0.000 0.458 12 N N -0.379 118.454 118.700 0.221 0.000 2.828 12 N HA -0.187 4.553 4.740 -0.000 0.000 0.248 12 N C -1.106 174.496 175.510 0.153 0.000 1.044 12 N CA 0.848 53.994 53.050 0.161 0.000 0.851 12 N CB -0.706 37.822 38.487 0.069 0.000 1.136 12 N HN 0.668 nan 8.380 nan 0.000 0.572 13 E N 0.118 120.446 120.200 0.213 0.000 2.280 13 E HA 0.545 4.895 4.350 -0.000 0.000 0.264 13 E C 0.218 176.852 176.600 0.057 0.000 1.064 13 E CA -0.547 55.891 56.400 0.063 0.000 0.900 13 E CB 1.650 31.326 29.700 -0.040 0.000 1.123 13 E HN -0.052 nan 8.360 nan 0.000 0.418 14 V N 2.284 122.027 119.914 -0.285 0.000 2.604 14 V HA 0.480 4.600 4.120 -0.000 0.000 0.305 14 V C -0.823 175.026 176.094 -0.407 0.000 1.043 14 V CA -0.609 61.637 62.300 -0.089 0.000 0.888 14 V CB 0.870 32.779 31.823 0.145 0.000 0.995 14 V HN 0.451 nan 8.190 nan 0.000 0.429 15 F N 2.506 122.496 119.950 0.066 0.000 2.599 15 F HA 0.636 5.163 4.527 0.000 0.000 0.311 15 F C -0.340 175.421 175.800 -0.065 0.000 1.076 15 F CA -0.858 57.156 58.000 0.023 0.000 0.937 15 F CB 1.701 40.822 39.000 0.202 0.000 1.282 15 F HN 0.284 nan 8.300 nan 0.000 0.460 16 F N 2.669 122.816 119.950 0.328 0.000 2.427 16 F HA 0.484 5.011 4.527 -0.000 0.000 0.352 16 F C 0.135 175.944 175.800 0.017 0.000 1.100 16 F CA -0.441 57.683 58.000 0.207 0.000 1.191 16 F CB 0.643 39.733 39.000 0.150 0.000 1.128 16 F HN 0.094 nan 8.300 nan 0.000 0.533 17 I N 3.384 123.979 120.570 0.043 0.000 2.354 17 I HA 0.262 4.432 4.170 -0.000 0.000 0.286 17 I C -0.454 175.589 176.117 -0.124 0.000 1.007 17 I CA -0.331 60.717 61.300 -0.420 0.000 1.167 17 I CB 1.175 38.646 38.000 -0.881 0.000 1.320 17 I HN 0.562 nan 8.210 nan 0.000 0.458 18 S N 6.998 122.674 115.700 -0.039 0.000 2.568 18 S HA 0.673 5.143 4.470 -0.000 0.000 0.302 18 S C -2.773 171.794 174.600 -0.054 0.000 1.082 18 S CA -1.815 56.374 58.200 -0.017 0.000 1.009 18 S CB 1.926 65.109 63.200 -0.030 0.000 1.069 18 S HN 0.278 nan 8.310 nan 0.000 0.500 19 P HA 0.120 nan 4.420 nan 0.000 0.268 19 P C 0.990 178.050 177.300 -0.401 0.000 1.205 19 P CA -0.204 62.363 63.100 -0.889 0.000 0.771 19 P CB 0.889 31.593 31.700 -1.660 0.000 0.858 20 S N 2.098 117.672 115.700 -0.210 0.000 2.440 20 S HA -0.221 4.249 4.470 -0.000 0.000 0.238 20 S C 1.320 175.910 174.600 -0.018 0.000 1.010 20 S CA 1.444 59.627 58.200 -0.028 0.000 0.972 20 S CB -1.359 61.890 63.200 0.082 0.000 0.774 20 S HN 0.717 nan 8.310 nan 0.000 0.501 21 N N 0.706 119.400 118.700 -0.010 0.000 2.398 21 N HA 0.024 4.764 4.740 -0.000 0.000 0.188 21 N C 0.039 175.519 175.510 -0.050 0.000 1.122 21 N CA 0.037 53.093 53.050 0.010 0.000 0.866 21 N CB 0.007 38.554 38.487 0.101 0.000 0.970 21 N HN 0.253 nan 8.380 nan 0.000 0.462 22 N N -0.032 118.600 118.700 -0.113 0.000 2.747 22 N HA -0.005 4.735 4.740 -0.000 0.000 0.262 22 N C -0.359 175.088 175.510 -0.106 0.000 1.261 22 N CA -0.247 52.741 53.050 -0.104 0.000 0.809 22 N CB 1.355 39.769 38.487 -0.121 0.000 1.450 22 N HN 0.006 nan 8.380 nan 0.000 0.560 23 T N 0.863 115.376 114.554 -0.069 0.000 3.051 23 T HA 0.049 4.399 4.350 -0.000 0.000 0.269 23 T C 0.713 175.367 174.700 -0.077 0.000 1.127 23 T CA 1.121 63.187 62.100 -0.058 0.000 1.107 23 T CB -0.060 68.790 68.868 -0.029 0.000 0.898 23 T HN 0.392 nan 8.240 nan 0.000 0.517 24 N N 1.089 119.741 118.700 -0.080 0.000 2.322 24 N HA 0.142 4.882 4.740 -0.000 0.000 0.194 24 N C -0.074 175.383 175.510 -0.088 0.000 1.126 24 N CA 0.225 53.223 53.050 -0.087 0.000 0.845 24 N CB 0.496 38.939 38.487 -0.074 0.000 0.976 24 N HN 0.490 nan 8.380 nan 0.000 0.475 25 K N 0.591 120.935 120.400 -0.092 0.000 2.259 25 K HA 0.558 4.878 4.320 -0.000 0.000 0.249 25 K C -0.502 176.072 176.600 -0.043 0.000 0.942 25 K CA -0.777 55.468 56.287 -0.070 0.000 0.816 25 K CB 2.864 35.302 32.500 -0.104 0.000 1.155 25 K HN -0.191 nan 8.250 nan 0.000 0.428 26 V N -0.635 119.301 119.914 0.036 0.000 3.114 26 V HA 0.445 4.564 4.120 -0.000 0.000 0.308 26 V C -0.785 175.402 176.094 0.153 0.000 1.168 26 V CA -1.397 60.959 62.300 0.093 0.000 1.015 26 V CB 1.565 33.479 31.823 0.152 0.000 1.050 26 V HN 0.633 nan 8.190 nan 0.000 0.433 27 L N 2.920 124.215 121.223 0.120 0.000 2.559 27 L HA 0.427 4.767 4.340 -0.000 0.000 0.274 27 L C -0.162 176.957 176.870 0.415 0.000 1.205 27 L CA 1.280 56.185 54.840 0.109 0.000 0.907 27 L CB -0.279 41.602 42.059 -0.298 0.000 1.153 27 L HN 1.016 nan 8.230 nan 0.000 0.490 28 D N 4.743 125.362 120.400 0.365 0.000 2.788 28 D HA 0.133 4.773 4.640 -0.000 0.000 0.247 28 D C -0.925 175.528 176.300 0.255 0.000 1.236 28 D CA -0.618 53.568 54.000 0.311 0.000 0.898 28 D CB 1.324 42.254 40.800 0.217 0.000 1.401 28 D HN 0.550 nan 8.370 nan 0.000 0.549 29 K N 4.582 125.107 120.400 0.209 0.000 2.336 29 K HA 0.125 4.445 4.320 -0.000 0.000 0.290 29 K C 1.404 177.970 176.600 -0.057 0.000 1.067 29 K CA -0.149 56.190 56.287 0.088 0.000 0.962 29 K CB 0.156 32.635 32.500 -0.035 0.000 1.008 29 K HN 0.553 nan 8.250 nan 0.000 0.467 30 I N 0.448 120.978 120.570 -0.066 0.000 3.603 30 I HA 0.083 4.253 4.170 -0.000 0.000 0.297 30 I C 0.358 176.389 176.117 -0.144 0.000 1.269 30 I CA -0.325 60.858 61.300 -0.194 0.000 1.361 30 I CB 0.257 38.115 38.000 -0.237 0.000 1.063 30 I HN 0.463 nan 8.210 nan 0.000 0.448 31 S N -0.493 115.162 115.700 -0.074 0.000 2.757 31 S HA 0.307 4.777 4.470 -0.000 0.000 0.285 31 S C 0.273 174.853 174.600 -0.032 0.000 1.196 31 S CA -0.683 57.485 58.200 -0.054 0.000 0.856 31 S CB 1.068 64.250 63.200 -0.030 0.000 1.212 31 S HN 0.229 nan 8.310 nan 0.000 0.516 32 Q N 0.476 120.263 119.800 -0.023 0.000 2.291 32 Q HA -0.002 4.337 4.340 -0.000 0.000 0.206 32 Q C 1.448 177.452 176.000 0.007 0.000 0.976 32 Q CA 1.586 57.381 55.803 -0.014 0.000 0.875 32 Q CB -0.175 28.555 28.738 -0.013 0.000 0.927 32 Q HN 0.821 nan 8.270 nan 0.000 0.450 33 S N -1.903 113.809 115.700 0.020 0.000 2.679 33 S HA 0.167 4.637 4.470 -0.000 0.000 0.258 33 S C 0.076 174.714 174.600 0.063 0.000 1.068 33 S CA -0.530 57.695 58.200 0.042 0.000 1.115 33 S CB 0.618 63.838 63.200 0.035 0.000 1.078 33 S HN 0.084 nan 8.310 nan 0.000 0.603 34 E N 0.840 121.073 120.200 0.055 0.000 2.202 34 E HA 0.700 5.050 4.350 -0.000 0.000 0.272 34 E C -1.624 175.032 176.600 0.094 0.000 0.951 34 E CA -0.787 55.656 56.400 0.071 0.000 0.813 34 E CB 2.633 32.365 29.700 0.054 0.000 1.151 34 E HN 0.106 nan 8.360 nan 0.000 0.398 35 V N 2.397 122.380 119.914 0.115 0.000 2.823 35 V HA 0.565 4.685 4.120 -0.000 0.000 0.312 35 V C -1.006 175.166 176.094 0.130 0.000 1.072 35 V CA -0.381 62.002 62.300 0.139 0.000 0.937 35 V CB 1.918 33.825 31.823 0.140 0.000 1.013 35 V HN 0.608 nan 8.190 nan 0.000 0.430 36 K N 3.613 124.109 120.400 0.161 0.000 2.555 36 K HA 0.580 4.900 4.320 -0.000 0.000 0.279 36 K C -1.563 175.173 176.600 0.228 0.000 0.986 36 K CA -0.828 55.578 56.287 0.199 0.000 0.880 36 K CB 2.034 34.696 32.500 0.270 0.000 1.474 36 K HN 0.615 nan 8.250 nan 0.000 0.433 37 L N 2.128 123.476 121.223 0.208 0.000 2.439 37 L HA 0.312 4.652 4.340 -0.000 0.000 0.269 37 L C -0.261 176.789 176.870 0.299 0.000 1.179 37 L CA -0.022 54.931 54.840 0.189 0.000 0.828 37 L CB 0.462 42.569 42.059 0.082 0.000 1.106 37 L HN 0.524 nan 8.230 nan 0.000 0.467 38 W N 2.934 124.250 121.300 0.025 0.000 3.118 38 W HA 0.211 4.871 4.660 -0.000 0.000 0.328 38 W C -0.534 175.983 176.519 -0.005 0.000 1.239 38 W CA -0.850 56.507 57.345 0.019 0.000 1.176 38 W CB 1.864 31.346 29.460 0.037 0.000 1.433 38 W HN 0.454 nan 8.180 nan 0.000 0.562 39 N N 3.642 122.212 118.700 -0.218 0.000 2.293 39 N HA -0.112 4.628 4.740 -0.000 0.000 0.253 39 N C -0.263 175.307 175.510 0.100 0.000 1.248 39 N CA 0.965 53.965 53.050 -0.083 0.000 0.845 39 N CB 0.656 39.047 38.487 -0.160 0.000 1.073 39 N HN 0.237 nan 8.380 nan 0.000 0.464 40 K N 3.795 124.197 120.400 0.004 0.000 2.383 40 K HA 0.078 4.398 4.320 -0.000 0.000 0.286 40 K C 0.536 177.124 176.600 -0.021 0.000 1.051 40 K CA 0.125 56.386 56.287 -0.044 0.000 0.974 40 K CB 0.380 32.773 32.500 -0.178 0.000 0.968 40 K HN 0.532 nan 8.250 nan 0.000 0.475 41 L N 2.519 123.752 121.223 0.017 0.000 3.039 41 L HA 0.107 4.447 4.340 -0.000 0.000 0.269 41 L C 0.128 177.022 176.870 0.040 0.000 1.169 41 L CA -0.286 54.578 54.840 0.039 0.000 0.986 41 L CB 0.545 42.657 42.059 0.088 0.000 1.377 41 L HN 0.768 nan 8.230 nan 0.000 0.575 42 S N 0.600 116.325 115.700 0.042 0.000 3.587 42 S HA -0.161 4.309 4.470 -0.000 0.000 0.337 42 S C 0.867 175.583 174.600 0.194 0.000 1.119 42 S CA 0.458 58.796 58.200 0.231 0.000 0.976 42 S CB -1.782 61.556 63.200 0.229 0.000 0.922 42 S HN 0.639 nan 8.310 nan 0.000 0.503 43 G N -0.009 108.859 108.800 0.113 0.000 2.539 43 G HA2 0.566 4.526 3.960 -0.000 0.000 0.258 43 G HA3 0.566 4.526 3.960 -0.000 0.000 0.258 43 G C 0.982 175.859 174.900 -0.039 0.000 1.202 43 G CA -0.139 44.971 45.100 0.018 0.000 0.851 43 G HN 0.699 nan 8.290 nan 0.000 0.556 44 A N 0.723 123.459 122.820 -0.139 0.000 2.070 44 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 44 A C 1.991 179.393 177.584 -0.303 0.000 1.159 44 A CA 1.705 53.589 52.037 -0.255 0.000 0.656 44 A CB -0.643 18.187 19.000 -0.283 0.000 0.800 44 A HN 0.883 nan 8.150 nan 0.000 0.453 45 N N -1.342 117.212 118.700 -0.242 0.000 2.521 45 N HA -0.065 4.675 4.740 -0.000 0.000 0.188 45 N C 1.181 176.530 175.510 -0.267 0.000 1.146 45 N CA 0.592 53.464 53.050 -0.297 0.000 0.893 45 N CB -0.111 38.253 38.487 -0.204 0.000 0.975 45 N HN 0.593 nan 8.380 nan 0.000 0.451 46 Q N -0.322 119.400 119.800 -0.131 0.000 2.219 46 Q HA 0.209 4.549 4.340 -0.000 0.000 0.209 46 Q C -0.557 175.498 176.000 0.093 0.000 0.854 46 Q CA 0.109 55.988 55.803 0.127 0.000 0.960 46 Q CB 0.587 29.496 28.738 0.286 0.000 1.116 46 Q HN 0.344 nan 8.270 nan 0.000 0.500 47 K N 0.237 120.415 120.400 -0.369 0.000 2.270 47 K HA 0.419 4.739 4.320 -0.000 0.000 0.255 47 K C -1.497 174.762 176.600 -0.568 0.000 0.936 47 K CA -0.440 55.637 56.287 -0.351 0.000 0.809 47 K CB 1.408 33.675 32.500 -0.389 0.000 1.131 47 K HN -0.070 nan 8.250 nan 0.000 0.427 48 W N 2.195 123.484 121.300 -0.018 0.000 2.756 48 W HA 0.370 5.031 4.660 0.000 0.000 0.333 48 W C -0.210 176.401 176.519 0.154 0.000 1.025 48 W CA -0.718 56.655 57.345 0.047 0.000 1.246 48 W CB 1.282 30.753 29.460 0.019 0.000 1.358 48 W HN 0.315 nan 8.180 nan 0.000 0.444 49 R N 2.718 123.401 120.500 0.305 0.000 2.340 49 R HA 0.461 4.801 4.340 -0.000 0.000 0.300 49 R C -0.856 175.654 176.300 0.350 0.000 1.069 49 R CA -0.618 55.664 56.100 0.304 0.000 0.984 49 R CB 0.622 31.041 30.300 0.200 0.000 1.003 49 R HN 0.389 nan 8.270 nan 0.000 0.459 50 L N 6.114 127.582 121.223 0.407 0.000 2.276 50 L HA 0.382 4.722 4.340 -0.000 0.000 0.286 50 L C -0.500 176.622 176.870 0.421 0.000 1.061 50 L CA -0.222 54.857 54.840 0.398 0.000 0.807 50 L CB 1.324 43.574 42.059 0.317 0.000 1.177 50 L HN 0.553 nan 8.230 nan 0.000 0.429 51 I N 4.270 125.089 120.570 0.414 0.000 2.410 51 I HA 0.266 4.436 4.170 -0.000 0.000 0.286 51 I C -0.637 175.663 176.117 0.305 0.000 1.009 51 I CA -0.544 60.939 61.300 0.305 0.000 1.111 51 I CB 1.294 39.407 38.000 0.189 0.000 1.262 51 I HN 0.320 nan 8.210 nan 0.000 0.443 52 Y N 5.473 125.786 120.300 0.022 0.000 2.309 52 Y HA 0.338 4.888 4.550 -0.000 0.000 0.327 52 Y C 0.057 175.881 175.900 -0.126 0.000 1.172 52 Y CA -0.277 57.660 58.100 -0.271 0.000 1.280 52 Y CB 0.823 39.051 38.460 -0.387 0.000 1.234 52 Y HN 0.532 nan 8.280 nan 0.000 0.512 53 D N 3.709 123.766 120.400 -0.573 0.000 2.414 53 D HA 0.080 4.720 4.640 -0.000 0.000 0.232 53 D C 0.743 176.544 176.300 -0.832 0.000 1.070 53 D CA 0.006 53.712 54.000 -0.491 0.000 0.839 53 D CB 1.493 42.070 40.800 -0.371 0.000 1.079 53 D HN 0.825 nan 8.370 nan 0.000 0.521 54 T N 1.485 115.730 114.554 -0.514 0.000 2.915 54 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 54 T C 1.286 175.818 174.700 -0.281 0.000 1.071 54 T CA 0.674 62.550 62.100 -0.373 0.000 1.132 54 T CB 0.106 68.935 68.868 -0.064 0.000 0.878 54 T HN 0.264 nan 8.240 nan 0.000 0.479 55 N N 1.768 120.304 118.700 -0.273 0.000 2.171 55 N HA 0.020 4.760 4.740 -0.000 0.000 0.184 55 N C 1.814 177.183 175.510 -0.235 0.000 1.021 55 N CA 1.057 53.985 53.050 -0.203 0.000 0.854 55 N CB -0.102 38.273 38.487 -0.186 0.000 0.994 55 N HN 0.543 nan 8.380 nan 0.000 0.426 56 K N 0.779 120.929 120.400 -0.417 0.000 2.305 56 K HA 0.089 4.409 4.320 -0.000 0.000 0.199 56 K C -0.043 176.363 176.600 -0.323 0.000 1.047 56 K CA 0.073 56.066 56.287 -0.489 0.000 0.976 56 K CB 0.181 32.036 32.500 -1.076 0.000 0.765 56 K HN 0.143 nan 8.250 nan 0.000 0.474 57 Q N -0.745 118.797 119.800 -0.430 0.000 2.468 57 Q HA -0.217 4.123 4.340 -0.000 0.000 0.289 57 Q C -0.723 175.175 176.000 -0.169 0.000 1.299 57 Q CA 0.343 55.991 55.803 -0.258 0.000 0.838 57 Q CB -1.664 27.164 28.738 0.150 0.000 1.195 57 Q HN 0.430 nan 8.270 nan 0.000 0.456 58 A N -0.471 122.044 122.820 -0.509 0.000 2.602 58 A HA 0.849 5.169 4.320 -0.000 0.000 0.290 58 A C -1.752 175.750 177.584 -0.137 0.000 1.114 58 A CA -0.671 51.231 52.037 -0.225 0.000 0.683 58 A CB 1.238 19.944 19.000 -0.489 0.000 1.281 58 A HN 0.191 nan 8.150 nan 0.000 0.416 59 Y N -0.146 120.258 120.300 0.173 0.000 2.499 59 Y HA 0.587 5.137 4.550 -0.000 0.000 0.347 59 Y C 0.969 176.964 175.900 0.159 0.000 0.987 59 Y CA -0.072 58.160 58.100 0.221 0.000 1.044 59 Y CB 2.343 40.945 38.460 0.237 0.000 1.245 59 Y HN 0.787 nan 8.280 nan 0.000 0.461 60 T N 0.194 114.862 114.554 0.190 0.000 2.922 60 T HA 0.738 5.088 4.350 -0.000 0.000 0.285 60 T C -0.534 174.301 174.700 0.225 0.000 1.005 60 T CA -0.622 61.513 62.100 0.058 0.000 1.061 60 T CB 0.792 69.559 68.868 -0.167 0.000 1.007 60 T HN 0.467 nan 8.240 nan 0.000 0.502 61 I N 1.759 122.459 120.570 0.217 0.000 2.448 61 I HA 0.388 4.558 4.170 -0.000 0.000 0.281 61 I C -0.127 176.198 176.117 0.348 0.000 1.027 61 I CA -0.774 60.665 61.300 0.232 0.000 1.111 61 I CB 1.568 39.580 38.000 0.021 0.000 1.236 61 I HN 0.629 nan 8.210 nan 0.000 0.452 62 K N 6.216 126.828 120.400 0.353 0.000 2.274 62 K HA 0.511 4.831 4.320 -0.000 0.000 0.262 62 K C -0.800 175.883 176.600 0.138 0.000 0.961 62 K CA -0.517 55.918 56.287 0.246 0.000 0.833 62 K CB 2.384 34.965 32.500 0.135 0.000 1.102 62 K HN 0.374 nan 8.250 nan 0.000 0.436 63 V N 5.057 124.893 119.914 -0.131 0.000 3.096 63 V HA 0.076 4.196 4.120 -0.000 0.000 0.306 63 V C 0.436 176.277 176.094 -0.420 0.000 1.088 63 V CA 0.161 62.016 62.300 -0.742 0.000 1.129 63 V CB 0.975 32.245 31.823 -0.922 0.000 1.014 63 V HN 0.907 nan 8.190 nan 0.000 0.486 64 M N 4.080 123.382 119.600 -0.496 0.000 2.685 64 M HA 0.254 4.734 4.480 -0.000 0.000 0.355 64 M C 0.318 176.424 176.300 -0.323 0.000 1.197 64 M CA -0.147 54.946 55.300 -0.345 0.000 0.947 64 M CB -0.338 32.037 32.600 -0.374 0.000 1.346 64 M HN 0.854 nan 8.290 nan 0.000 0.516 65 D N -0.788 119.434 120.400 -0.296 0.000 2.460 65 D HA 0.050 4.690 4.640 -0.000 0.000 0.229 65 D C 0.349 176.548 176.300 -0.170 0.000 1.170 65 D CA -0.162 53.698 54.000 -0.233 0.000 0.827 65 D CB -0.561 40.104 40.800 -0.225 0.000 0.973 65 D HN 0.490 nan 8.370 nan 0.000 0.496 66 N N -0.515 118.093 118.700 -0.153 0.000 2.776 66 N HA -0.228 4.512 4.740 -0.000 0.000 0.250 66 N C 0.182 175.642 175.510 -0.084 0.000 1.112 66 N CA 0.975 53.962 53.050 -0.105 0.000 0.733 66 N CB -0.944 37.486 38.487 -0.096 0.000 1.097 66 N HN 0.505 nan 8.380 nan 0.000 0.558 67 T N -5.337 109.162 114.554 -0.091 0.000 2.955 67 T HA 0.259 4.609 4.350 -0.000 0.000 0.251 67 T C 0.815 175.489 174.700 -0.044 0.000 1.002 67 T CA 0.879 62.939 62.100 -0.066 0.000 0.970 67 T CB 0.429 69.253 68.868 -0.073 0.000 1.091 67 T HN 0.191 nan 8.240 nan 0.000 0.495 68 S N 0.512 116.182 115.700 -0.050 0.000 3.228 68 S HA -0.109 4.361 4.470 -0.000 0.000 0.282 68 S C 0.164 174.767 174.600 0.005 0.000 1.286 68 S CA 0.384 58.573 58.200 -0.018 0.000 1.066 68 S CB -2.147 61.052 63.200 -0.003 0.000 1.277 68 S HN 0.667 nan 8.310 nan 0.000 0.661 69 L N 1.807 123.030 121.223 -0.000 0.000 2.418 69 L HA 0.626 4.966 4.340 -0.000 0.000 0.265 69 L C 0.645 177.577 176.870 0.103 0.000 1.143 69 L CA -0.362 54.503 54.840 0.043 0.000 0.809 69 L CB 0.571 42.654 42.059 0.040 0.000 1.124 69 L HN 0.444 nan 8.230 nan 0.000 0.456 70 I N -0.090 120.564 120.570 0.140 0.000 2.689 70 I HA 0.391 4.561 4.170 -0.000 0.000 0.299 70 I C -0.634 175.632 176.117 0.249 0.000 1.059 70 I CA -1.179 60.243 61.300 0.204 0.000 1.055 70 I CB 2.052 40.129 38.000 0.128 0.000 1.243 70 I HN 0.323 nan 8.210 nan 0.000 0.425 71 L N 4.254 125.644 121.223 0.279 0.000 2.534 71 L HA 0.298 4.638 4.340 -0.000 0.000 0.271 71 L C -0.332 176.811 176.870 0.454 0.000 1.178 71 L CA 1.504 56.473 54.840 0.216 0.000 0.907 71 L CB 0.263 42.231 42.059 -0.151 0.000 1.164 71 L HN 0.807 nan 8.230 nan 0.000 0.482 72 T N 4.847 119.648 114.554 0.412 0.000 2.881 72 T HA 0.199 4.549 4.350 -0.000 0.000 0.290 72 T C -1.382 173.601 174.700 0.471 0.000 1.000 72 T CA -0.278 62.054 62.100 0.387 0.000 0.978 72 T CB 0.657 69.646 68.868 0.202 0.000 0.997 72 T HN 0.572 nan 8.240 nan 0.000 0.443 73 W N 4.402 125.837 121.300 0.225 0.000 2.358 73 W HA 0.353 5.013 4.660 -0.000 0.000 0.307 73 W C -0.588 175.979 176.519 0.081 0.000 1.203 73 W CA -1.225 56.212 57.345 0.154 0.000 1.279 73 W CB 0.256 29.712 29.460 -0.006 0.000 1.264 73 W HN 0.518 nan 8.180 nan 0.000 0.474 74 D N 6.206 126.548 120.400 -0.096 0.000 2.885 74 D HA 0.135 4.775 4.640 -0.000 0.000 0.234 74 D C 0.640 176.565 176.300 -0.625 0.000 1.129 74 D CA 0.329 54.170 54.000 -0.264 0.000 0.991 74 D CB -0.467 40.311 40.800 -0.036 0.000 1.137 74 D HN 0.471 nan 8.370 nan 0.000 0.459 75 A N 2.430 124.449 122.820 -1.334 0.000 2.561 75 A HA 0.119 4.439 4.320 -0.000 0.000 0.234 75 A C -0.767 176.503 177.584 -0.523 0.000 1.055 75 A CA -0.579 50.643 52.037 -1.359 0.000 0.756 75 A CB 0.261 18.285 19.000 -1.626 0.000 0.986 75 A HN 0.193 nan 8.150 nan 0.000 0.505 76 P HA 0.190 nan 4.420 nan 0.000 0.262 76 P C -0.002 177.339 177.300 0.068 0.000 1.304 76 P CA 0.062 63.095 63.100 -0.111 0.000 0.859 76 P CB -0.024 31.657 31.700 -0.032 0.000 1.310 77 L N 0.328 121.568 121.223 0.029 0.000 2.479 77 L HA 0.170 4.510 4.340 -0.000 0.000 0.248 77 L C 1.911 178.985 176.870 0.340 0.000 1.205 77 L CA -0.018 54.903 54.840 0.135 0.000 0.817 77 L CB 0.032 42.136 42.059 0.074 0.000 1.162 77 L HN -0.108 nan 8.230 nan 0.000 0.486 78 S N -2.132 113.733 115.700 0.274 0.000 2.575 78 S HA 0.041 4.511 4.470 -0.000 0.000 0.215 78 S C 0.658 175.439 174.600 0.301 0.000 0.966 78 S CA -0.176 58.203 58.200 0.298 0.000 0.911 78 S CB -0.231 63.069 63.200 0.167 0.000 0.780 78 S HN 0.668 nan 8.310 nan 0.000 0.514 79 S N 1.495 117.359 115.700 0.273 0.000 2.652 79 S HA 0.710 5.180 4.470 -0.000 0.000 0.270 79 S C -0.029 174.763 174.600 0.320 0.000 1.243 79 S CA -0.280 58.059 58.200 0.233 0.000 0.999 79 S CB 1.193 64.485 63.200 0.154 0.000 0.973 79 S HN 0.909 nan 8.310 nan 0.000 0.544 80 V N -1.376 118.694 119.914 0.259 0.000 3.001 80 V HA 0.978 5.098 4.120 -0.000 0.000 0.314 80 V C -0.232 175.974 176.094 0.187 0.000 1.099 80 V CA -0.461 62.010 62.300 0.286 0.000 0.989 80 V CB 1.147 33.135 31.823 0.275 0.000 1.040 80 V HN 1.351 nan 8.190 nan 0.000 0.434 81 S N 1.058 116.868 115.700 0.185 0.000 2.776 81 S HA 0.879 5.349 4.470 -0.000 0.000 0.292 81 S C -0.549 174.148 174.600 0.162 0.000 1.187 81 S CA -0.246 58.040 58.200 0.144 0.000 0.834 81 S CB 1.378 64.646 63.200 0.113 0.000 1.199 81 S HN 2.217 nan 8.310 nan 0.000 0.514 82 V N -0.886 119.120 119.914 0.155 0.000 2.483 82 V HA 0.842 4.962 4.120 -0.000 0.000 0.295 82 V C -0.695 175.468 176.094 0.115 0.000 1.035 82 V CA -0.524 61.879 62.300 0.171 0.000 0.896 82 V CB 0.596 32.542 31.823 0.205 0.000 0.986 82 V HN 0.981 nan 8.190 nan 0.000 0.447 83 K N 1.787 122.252 120.400 0.107 0.000 2.522 83 K HA 0.507 4.827 4.320 -0.000 0.000 0.275 83 K C -0.540 176.095 176.600 0.059 0.000 1.006 83 K CA -0.914 55.415 56.287 0.070 0.000 0.890 83 K CB 2.255 34.791 32.500 0.061 0.000 1.475 83 K HN 0.726 nan 8.250 nan 0.000 0.441 84 T N 1.596 116.173 114.554 0.039 0.000 2.946 84 T HA -0.091 4.259 4.350 -0.000 0.000 0.312 84 T C -0.067 174.652 174.700 0.032 0.000 1.066 84 T CA 0.406 62.524 62.100 0.031 0.000 1.138 84 T CB 0.085 68.965 68.868 0.021 0.000 1.014 84 T HN 0.414 nan 8.240 nan 0.000 0.544 85 D N 2.154 122.571 120.400 0.028 0.000 2.342 85 D HA 0.069 4.709 4.640 -0.000 0.000 0.260 85 D C 1.137 177.452 176.300 0.025 0.000 1.278 85 D CA -0.139 53.873 54.000 0.019 0.000 0.910 85 D CB 0.439 41.247 40.800 0.014 0.000 1.079 85 D HN 0.627 nan 8.370 nan 0.000 0.496 86 T N 0.824 115.396 114.554 0.030 0.000 3.129 86 T HA 0.104 4.454 4.350 -0.000 0.000 0.267 86 T C 0.894 175.630 174.700 0.060 0.000 1.018 86 T CA -0.356 61.766 62.100 0.037 0.000 0.903 86 T CB -0.235 68.650 68.868 0.028 0.000 1.067 86 T HN 0.390 nan 8.240 nan 0.000 0.549 87 N N 1.273 120.026 118.700 0.088 0.000 2.828 87 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 87 N C -0.023 175.612 175.510 0.208 0.000 1.044 87 N CA 1.386 54.540 53.050 0.174 0.000 0.851 87 N CB -1.830 36.725 38.487 0.113 0.000 1.136 87 N HN 0.907 nan 8.380 nan 0.000 0.572 88 T N -3.344 111.304 114.554 0.157 0.000 2.904 88 T HA 0.322 4.672 4.350 -0.000 0.000 0.290 88 T C 1.222 176.059 174.700 0.227 0.000 1.018 88 T CA -0.026 62.156 62.100 0.135 0.000 1.075 88 T CB 1.073 69.978 68.868 0.062 0.000 0.986 88 T HN 0.237 nan 8.240 nan 0.000 0.523 89 N N 1.272 120.087 118.700 0.193 0.000 2.381 89 N HA -0.131 4.609 4.740 -0.000 0.000 0.182 89 N C 1.695 177.356 175.510 0.252 0.000 1.025 89 N CA 0.687 53.909 53.050 0.285 0.000 0.888 89 N CB -0.134 38.520 38.487 0.277 0.000 0.965 89 N HN 0.722 nan 8.380 nan 0.000 0.438 90 N N 0.866 119.651 118.700 0.142 0.000 2.550 90 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 90 N C 0.728 176.229 175.510 -0.014 0.000 1.110 90 N CA 0.799 53.910 53.050 0.102 0.000 0.912 90 N CB -0.031 38.463 38.487 0.011 0.000 0.968 90 N HN 0.415 nan 8.380 nan 0.000 0.448 91 Q N -0.754 119.058 119.800 0.019 0.000 2.280 91 Q HA 0.155 4.495 4.340 -0.000 0.000 0.201 91 Q C -0.644 175.231 176.000 -0.209 0.000 0.890 91 Q CA -0.034 55.749 55.803 -0.033 0.000 0.947 91 Q CB 0.275 28.987 28.738 -0.043 0.000 1.081 91 Q HN 0.375 nan 8.270 nan 0.000 0.502 92 Y N -0.793 119.381 120.300 -0.210 0.000 2.387 92 Y HA 0.351 4.901 4.550 -0.000 0.000 0.336 92 Y C -0.749 174.930 175.900 -0.368 0.000 1.067 92 Y CA -0.888 57.108 58.100 -0.174 0.000 1.114 92 Y CB 1.051 39.335 38.460 -0.294 0.000 1.208 92 Y HN -0.021 nan 8.280 nan 0.000 0.458 93 W N 2.274 123.687 121.300 0.187 0.000 2.781 93 W HA 0.475 5.135 4.660 -0.000 0.000 0.333 93 W C -1.491 175.153 176.519 0.208 0.000 1.047 93 W CA -1.129 56.322 57.345 0.177 0.000 1.236 93 W CB 0.732 30.266 29.460 0.123 0.000 1.394 93 W HN 0.367 nan 8.180 nan 0.000 0.466 94 Y N 3.117 123.681 120.300 0.440 0.000 2.511 94 Y HA 0.267 4.817 4.550 0.000 0.000 0.332 94 Y C 0.671 176.771 175.900 0.332 0.000 1.177 94 Y CA -0.044 58.286 58.100 0.382 0.000 1.422 94 Y CB 0.407 39.030 38.460 0.272 0.000 1.271 94 Y HN 0.094 nan 8.280 nan 0.000 0.550 95 L N 6.045 127.534 121.223 0.444 0.000 2.301 95 L HA 0.417 4.757 4.340 -0.000 0.000 0.278 95 L C -1.017 175.938 176.870 0.141 0.000 1.022 95 L CA -0.263 54.645 54.840 0.115 0.000 0.854 95 L CB 0.298 42.146 42.059 -0.351 0.000 1.226 95 L HN 0.472 nan 8.230 nan 0.000 0.429 96 L N 3.695 125.012 121.223 0.156 0.000 2.305 96 L HA 0.521 4.861 4.340 -0.000 0.000 0.284 96 L C -0.280 176.665 176.870 0.126 0.000 1.013 96 L CA -0.288 54.637 54.840 0.142 0.000 0.819 96 L CB 1.912 44.059 42.059 0.146 0.000 1.227 96 L HN 0.577 nan 8.230 nan 0.000 0.417 97 Q N 1.736 121.582 119.800 0.077 0.000 2.312 97 Q HA 0.251 4.591 4.340 -0.000 0.000 0.263 97 Q C -1.218 174.817 176.000 0.058 0.000 0.995 97 Q CA -0.801 55.027 55.803 0.041 0.000 0.853 97 Q CB 2.403 31.125 28.738 -0.027 0.000 1.300 97 Q HN 0.561 nan 8.270 nan 0.000 0.448 98 D N 1.710 122.111 120.400 0.003 0.000 2.317 98 D HA -0.016 4.624 4.640 -0.000 0.000 0.252 98 D C 0.328 176.632 176.300 0.006 0.000 1.174 98 D CA 0.066 54.062 54.000 -0.006 0.000 0.866 98 D CB 0.612 41.331 40.800 -0.136 0.000 1.127 98 D HN 0.575 nan 8.370 nan 0.000 0.467 99 Y N 4.398 124.674 120.300 -0.039 0.000 2.128 99 Y HA -0.162 4.387 4.550 -0.000 0.000 0.284 99 Y C 1.457 177.333 175.900 -0.040 0.000 1.154 99 Y CA 1.749 59.830 58.100 -0.033 0.000 1.149 99 Y CB -0.164 38.285 38.460 -0.017 0.000 0.976 99 Y HN 0.574 nan 8.280 nan 0.000 0.505 100 I N -0.553 119.910 120.570 -0.178 0.000 2.277 100 I HA -0.216 3.954 4.170 -0.000 0.000 0.243 100 I C 2.573 178.561 176.117 -0.215 0.000 1.094 100 I CA 1.363 62.506 61.300 -0.261 0.000 1.393 100 I CB -0.558 37.398 38.000 -0.074 0.000 1.078 100 I HN 0.304 nan 8.210 nan 0.000 0.417 101 S N 0.397 115.994 115.700 -0.173 0.000 2.461 101 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 101 S C 1.336 175.829 174.600 -0.179 0.000 1.005 101 S CA 0.060 58.152 58.200 -0.180 0.000 0.942 101 S CB -0.016 63.040 63.200 -0.241 0.000 0.776 101 S HN 0.357 nan 8.310 nan 0.000 0.514 102 R N 0.157 120.547 120.500 -0.183 0.000 3.977 102 R HA -0.148 4.192 4.340 -0.000 0.000 0.428 102 R C -0.863 175.363 176.300 -0.123 0.000 1.079 102 R CA 1.025 57.045 56.100 -0.133 0.000 1.269 102 R CB -2.948 27.299 30.300 -0.088 0.000 1.856 102 R HN 0.674 nan 8.270 nan 0.000 0.551 103 N N 0.615 119.161 118.700 -0.257 0.000 2.492 103 N HA 0.260 5.000 4.740 -0.000 0.000 0.260 103 N C -0.259 175.153 175.510 -0.163 0.000 1.215 103 N CA 0.070 52.914 53.050 -0.342 0.000 0.923 103 N CB 0.883 38.748 38.487 -1.038 0.000 1.092 103 N HN -0.113 nan 8.380 nan 0.000 0.448 104 V N 2.965 122.996 119.914 0.196 0.000 2.656 104 V HA 0.417 4.537 4.120 -0.000 0.000 0.307 104 V C 0.123 176.563 176.094 0.577 0.000 1.051 104 V CA -0.900 61.585 62.300 0.308 0.000 0.893 104 V CB 1.455 33.353 31.823 0.125 0.000 0.999 104 V HN 0.515 nan 8.190 nan 0.000 0.426 105 I N 1.929 122.773 120.570 0.456 0.000 2.488 105 I HA 0.695 4.865 4.170 -0.000 0.000 0.299 105 I C -1.108 175.170 176.117 0.268 0.000 0.984 105 I CA -0.670 60.849 61.300 0.366 0.000 1.250 105 I CB 1.476 39.603 38.000 0.211 0.000 1.389 105 I HN 0.368 nan 8.210 nan 0.000 0.488 106 L N 6.020 127.374 121.223 0.218 0.000 2.283 106 L HA 0.500 4.840 4.340 -0.000 0.000 0.281 106 L C 0.049 177.164 176.870 0.409 0.000 1.033 106 L CA -0.067 54.895 54.840 0.203 0.000 0.848 106 L CB 0.938 42.880 42.059 -0.196 0.000 1.226 106 L HN 0.623 nan 8.230 nan 0.000 0.429 107 R N 2.321 123.106 120.500 0.475 0.000 2.338 107 R HA 0.348 4.688 4.340 -0.000 0.000 0.317 107 R C -0.234 176.322 176.300 0.427 0.000 0.968 107 R CA -0.703 55.632 56.100 0.391 0.000 0.849 107 R CB 0.832 31.296 30.300 0.273 0.000 1.128 107 R HN 0.567 nan 8.270 nan 0.000 0.448 108 N N 2.512 121.286 118.700 0.123 0.000 2.497 108 N HA -0.091 4.649 4.740 -0.000 0.000 0.268 108 N C 0.441 175.937 175.510 -0.024 0.000 1.171 108 N CA 0.111 52.987 53.050 -0.290 0.000 0.948 108 N CB 0.561 38.667 38.487 -0.636 0.000 1.069 108 N HN 0.614 nan 8.380 nan 0.000 0.460 109 Y N 3.576 123.766 120.300 -0.184 0.000 2.200 109 Y HA -0.182 4.368 4.550 0.000 0.000 0.290 109 Y C 2.164 178.064 175.900 -0.000 0.000 1.137 109 Y CA 1.584 59.624 58.100 -0.100 0.000 1.163 109 Y CB -0.013 38.300 38.460 -0.244 0.000 0.988 109 Y HN 0.726 nan 8.280 nan 0.000 0.518 110 M N -0.022 119.604 119.600 0.044 0.000 2.117 110 M HA -0.192 4.288 4.480 -0.000 0.000 0.262 110 M C -0.046 176.285 176.300 0.051 0.000 1.065 110 M CA 1.818 57.165 55.300 0.080 0.000 1.114 110 M CB 0.047 32.809 32.600 0.270 0.000 1.361 110 M HN 0.164 nan 8.290 nan 0.000 0.408 111 N N -0.012 118.702 118.700 0.023 0.000 2.664 111 N HA 0.274 5.014 4.740 -0.000 0.000 0.257 111 N C -2.479 172.941 175.510 -0.150 0.000 1.108 111 N CA -1.744 51.263 53.050 -0.070 0.000 0.822 111 N CB 1.237 39.689 38.487 -0.058 0.000 1.199 111 N HN 0.022 nan 8.380 nan 0.000 0.529 112 P HA 0.030 nan 4.420 nan 0.000 0.239 112 P C 0.392 177.644 177.300 -0.080 0.000 1.184 112 P CA 0.656 63.728 63.100 -0.047 0.000 0.760 112 P CB 0.107 31.784 31.700 -0.038 0.000 0.884 113 N N -0.394 118.248 118.700 -0.097 0.000 2.364 113 N HA -0.060 4.680 4.740 -0.000 0.000 0.183 113 N C 0.411 175.852 175.510 -0.115 0.000 1.022 113 N CA 0.347 53.341 53.050 -0.093 0.000 0.883 113 N CB -0.204 38.236 38.487 -0.079 0.000 0.965 113 N HN 0.233 nan 8.380 nan 0.000 0.438 114 L N 1.290 122.409 121.223 -0.173 0.000 2.329 114 L HA 0.503 4.843 4.340 -0.000 0.000 0.279 114 L C -0.210 176.599 176.870 -0.101 0.000 1.014 114 L CA -1.007 53.707 54.840 -0.209 0.000 0.814 114 L CB 1.803 43.582 42.059 -0.468 0.000 1.257 114 L HN -0.161 nan 8.230 nan 0.000 0.424 115 V N 0.566 120.464 119.914 -0.028 0.000 2.960 115 V HA 0.531 4.651 4.120 -0.000 0.000 0.315 115 V C -0.388 175.780 176.094 0.123 0.000 1.087 115 V CA -1.156 61.201 62.300 0.095 0.000 0.982 115 V CB 2.033 33.903 31.823 0.078 0.000 1.039 115 V HN 0.553 nan 8.190 nan 0.000 0.437 116 L N 2.568 123.898 121.223 0.178 0.000 2.490 116 L HA 0.386 4.726 4.340 -0.000 0.000 0.274 116 L C 0.078 177.109 176.870 0.268 0.000 1.201 116 L CA 1.103 56.009 54.840 0.110 0.000 0.869 116 L CB 0.475 42.394 42.059 -0.233 0.000 1.123 116 L HN 1.062 nan 8.230 nan 0.000 0.484 117 Q N 3.565 123.504 119.800 0.232 0.000 2.331 117 Q HA 0.354 4.694 4.340 -0.000 0.000 0.272 117 Q C -1.848 174.275 176.000 0.205 0.000 1.062 117 Q CA -0.892 55.003 55.803 0.153 0.000 0.806 117 Q CB 1.770 30.507 28.738 -0.003 0.000 1.312 117 Q HN 0.611 nan 8.270 nan 0.000 0.431 118 Y N 1.203 121.564 120.300 0.102 0.000 2.330 118 Y HA 0.575 5.125 4.550 0.000 0.000 0.336 118 Y C -0.850 175.054 175.900 0.006 0.000 1.036 118 Y CA -0.721 57.415 58.100 0.060 0.000 1.125 118 Y CB 0.736 39.208 38.460 0.021 0.000 1.194 118 Y HN 0.538 nan 8.280 nan 0.000 0.469 119 N N 0.398 119.165 118.700 0.112 0.000 2.478 119 N HA 0.223 4.963 4.740 -0.000 0.000 0.275 119 N C 0.787 176.356 175.510 0.098 0.000 1.221 119 N CA -0.279 52.795 53.050 0.041 0.000 0.979 119 N CB 1.055 39.568 38.487 0.042 0.000 1.202 119 N HN 0.826 nan 8.380 nan 0.000 0.564 120 T N -3.046 111.538 114.554 0.050 0.000 3.007 120 T HA -0.138 4.212 4.350 -0.000 0.000 0.270 120 T C 0.741 175.468 174.700 0.045 0.000 1.107 120 T CA 0.893 63.024 62.100 0.053 0.000 1.118 120 T CB -0.369 68.512 68.868 0.022 0.000 0.889 120 T HN 0.645 nan 8.240 nan 0.000 0.506 121 D N 0.621 121.050 120.400 0.049 0.000 2.336 121 D HA 0.089 4.729 4.640 -0.000 0.000 0.228 121 D C 0.159 176.494 176.300 0.058 0.000 1.120 121 D CA -0.172 53.853 54.000 0.042 0.000 0.839 121 D CB -0.493 40.332 40.800 0.042 0.000 0.932 121 D HN 0.212 nan 8.370 nan 0.000 0.509 122 D N -0.462 119.986 120.400 0.080 0.000 2.978 122 D HA -0.172 4.468 4.640 -0.000 0.000 0.205 122 D C 0.044 176.428 176.300 0.140 0.000 1.093 122 D CA 1.558 55.620 54.000 0.103 0.000 1.006 122 D CB -1.998 38.835 40.800 0.055 0.000 1.116 122 D HN 0.597 nan 8.370 nan 0.000 0.419 123 T N -1.549 113.083 114.554 0.130 0.000 2.868 123 T HA 0.563 4.913 4.350 -0.000 0.000 0.292 123 T C 0.575 175.367 174.700 0.153 0.000 1.028 123 T CA -0.708 61.472 62.100 0.134 0.000 1.059 123 T CB 1.584 70.518 68.868 0.109 0.000 0.991 123 T HN 0.157 nan 8.240 nan 0.000 0.531 124 L N 2.527 123.837 121.223 0.144 0.000 2.329 124 L HA 0.736 5.076 4.340 -0.000 0.000 0.279 124 L C 0.038 176.986 176.870 0.130 0.000 1.014 124 L CA -1.090 53.839 54.840 0.149 0.000 0.814 124 L CB 1.489 43.613 42.059 0.108 0.000 1.257 124 L HN 0.792 nan 8.230 nan 0.000 0.424 125 I N 0.148 120.794 120.570 0.128 0.000 3.264 125 I HA 0.779 4.949 4.170 -0.000 0.000 0.315 125 I C -0.566 175.620 176.117 0.116 0.000 1.154 125 I CA -1.152 60.224 61.300 0.127 0.000 0.962 125 I CB 2.214 40.272 38.000 0.098 0.000 1.265 125 I HN 0.309 nan 8.210 nan 0.000 0.463 126 V N -0.010 119.964 119.914 0.100 0.000 2.837 126 V HA 0.866 4.986 4.120 -0.000 0.000 0.310 126 V C -0.078 176.002 176.094 -0.023 0.000 1.059 126 V CA -0.192 62.109 62.300 0.001 0.000 1.004 126 V CB 1.212 32.902 31.823 -0.223 0.000 1.045 126 V HN 0.976 nan 8.190 nan 0.000 0.465 127 S N 1.194 116.863 115.700 -0.051 0.000 2.570 127 S HA 0.640 5.110 4.470 -0.000 0.000 0.270 127 S C -0.162 174.399 174.600 -0.066 0.000 1.149 127 S CA 0.033 58.206 58.200 -0.044 0.000 0.837 127 S CB 1.853 65.033 63.200 -0.033 0.000 1.124 127 S HN 1.760 nan 8.310 nan 0.000 0.465 128 T N 1.270 115.788 114.554 -0.059 0.000 2.734 128 T HA 0.368 4.718 4.350 -0.000 0.000 0.314 128 T C 0.029 174.690 174.700 -0.064 0.000 1.057 128 T CA -0.219 61.844 62.100 -0.061 0.000 1.047 128 T CB 0.009 68.849 68.868 -0.047 0.000 0.991 128 T HN 0.687 nan 8.240 nan 0.000 0.540 129 Q N 0.762 120.522 119.800 -0.067 0.000 2.259 129 Q HA 0.535 4.875 4.340 -0.000 0.000 0.249 129 Q C 0.442 176.390 176.000 -0.087 0.000 0.914 129 Q CA -0.706 55.048 55.803 -0.082 0.000 0.904 129 Q CB 1.496 30.187 28.738 -0.079 0.000 1.213 129 Q HN 0.955 nan 8.270 nan 0.000 0.428 130 T N -1.791 112.694 114.554 -0.116 0.000 2.716 130 T HA 0.303 4.653 4.350 -0.000 0.000 0.286 130 T C 0.018 174.637 174.700 -0.135 0.000 1.052 130 T CA -0.847 61.188 62.100 -0.108 0.000 1.024 130 T CB 0.742 69.549 68.868 -0.103 0.000 1.349 130 T HN 0.549 nan 8.240 nan 0.000 0.525 131 N N 0.206 118.844 118.700 -0.103 0.000 2.322 131 N HA 0.210 4.950 4.740 -0.000 0.000 0.194 131 N C 0.239 175.693 175.510 -0.094 0.000 1.126 131 N CA -0.170 52.828 53.050 -0.087 0.000 0.845 131 N CB 0.407 38.869 38.487 -0.042 0.000 0.976 131 N HN 0.533 nan 8.380 nan 0.000 0.475 132 S N 0.721 116.342 115.700 -0.132 0.000 2.565 132 S HA 0.051 4.521 4.470 -0.000 0.000 0.274 132 S C 1.128 175.637 174.600 -0.153 0.000 1.309 132 S CA -0.792 57.331 58.200 -0.128 0.000 1.043 132 S CB 0.379 63.487 63.200 -0.155 0.000 0.939 132 S HN 0.500 nan 8.310 nan 0.000 0.504 133 N N 3.145 121.807 118.700 -0.064 0.000 2.573 133 N HA -0.160 4.580 4.740 -0.000 0.000 0.187 133 N C 0.882 176.309 175.510 -0.137 0.000 1.107 133 N CA 0.665 53.730 53.050 0.025 0.000 0.918 133 N CB -0.472 38.085 38.487 0.115 0.000 0.966 133 N HN 0.691 nan 8.380 nan 0.000 0.448 134 N N 0.645 119.104 118.700 -0.403 0.000 2.571 134 N HA -0.150 4.589 4.740 -0.000 0.000 0.189 134 N C 0.693 175.748 175.510 -0.760 0.000 1.154 134 N CA 0.773 53.199 53.050 -1.039 0.000 0.907 134 N CB 0.038 38.013 38.487 -0.853 0.000 0.977 134 N HN 0.531 nan 8.380 nan 0.000 0.449 135 Q N -1.290 118.280 119.800 -0.384 0.000 2.189 135 Q HA 0.243 4.583 4.340 -0.000 0.000 0.223 135 Q C -0.924 175.036 176.000 -0.066 0.000 0.828 135 Q CA -0.239 55.453 55.803 -0.186 0.000 0.967 135 Q CB 0.548 29.153 28.738 -0.221 0.000 1.139 135 Q HN 0.164 nan 8.270 nan 0.000 0.497 136 F N 0.239 120.145 119.950 -0.074 0.000 2.436 136 F HA 0.467 4.994 4.527 0.000 0.000 0.340 136 F C -0.327 175.383 175.800 -0.149 0.000 1.113 136 F CA -1.425 56.592 58.000 0.028 0.000 1.022 136 F CB 0.806 39.825 39.000 0.031 0.000 1.128 136 F HN -0.162 nan 8.300 nan 0.000 0.466 137 F N 1.846 122.027 119.950 0.385 0.000 2.561 137 F HA 0.559 5.086 4.527 -0.000 0.000 0.321 137 F C -0.159 175.761 175.800 0.199 0.000 1.065 137 F CA -1.040 57.081 58.000 0.201 0.000 0.934 137 F CB 1.943 41.014 39.000 0.119 0.000 1.215 137 F HN 0.160 nan 8.300 nan 0.000 0.471 138 K N 1.725 122.285 120.400 0.266 0.000 2.207 138 K HA 0.561 4.881 4.320 -0.000 0.000 0.255 138 K C -1.614 175.120 176.600 0.224 0.000 0.941 138 K CA -0.583 55.851 56.287 0.244 0.000 0.825 138 K CB 1.740 34.311 32.500 0.118 0.000 1.119 138 K HN 0.434 nan 8.250 nan 0.000 0.430 139 F N 0.737 120.727 119.950 0.067 0.000 2.444 139 F HA 0.283 4.810 4.527 -0.000 0.000 0.342 139 F C 0.102 176.069 175.800 0.280 0.000 1.121 139 F CA -0.634 57.427 58.000 0.101 0.000 0.997 139 F CB 2.083 40.950 39.000 -0.222 0.000 1.130 139 F HN 0.303 nan 8.300 nan 0.000 0.454 140 S N 3.083 119.116 115.700 0.555 0.000 2.605 140 S HA 0.177 4.647 4.470 -0.000 0.000 0.308 140 S C -0.659 174.200 174.600 0.432 0.000 1.113 140 S CA -0.934 57.550 58.200 0.474 0.000 1.049 140 S CB 1.059 64.519 63.200 0.432 0.000 1.001 140 S HN 0.593 nan 8.310 nan 0.000 0.480 141 N N 1.917 120.748 118.700 0.219 0.000 2.438 141 N HA -0.004 4.736 4.740 -0.000 0.000 0.267 141 N C 0.937 176.430 175.510 -0.028 0.000 1.222 141 N CA -0.066 52.871 53.050 -0.188 0.000 0.930 141 N CB 0.531 38.874 38.487 -0.239 0.000 1.083 141 N HN 0.621 nan 8.380 nan 0.000 0.476 142 C N 3.975 123.152 119.300 -0.206 0.000 2.429 142 C HA -0.080 4.380 4.460 -0.000 0.000 0.277 142 C C 2.681 177.711 174.990 0.067 0.000 1.262 142 C CA 0.172 59.094 59.018 -0.160 0.000 1.733 142 C CB -0.912 26.608 27.740 -0.366 0.000 2.010 142 C HN 0.778 nan 8.230 nan 0.000 0.483 143 I N -0.512 120.046 120.570 -0.020 0.000 2.252 143 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 143 I C 2.522 178.696 176.117 0.094 0.000 1.102 143 I CA 1.743 63.041 61.300 -0.004 0.000 1.385 143 I CB -0.563 37.346 38.000 -0.151 0.000 1.064 143 I HN 0.352 nan 8.210 nan 0.000 0.414 144 Y N 1.727 122.057 120.300 0.049 0.000 2.128 144 Y HA -0.333 4.217 4.550 0.000 0.000 0.284 144 Y C 2.643 178.598 175.900 0.091 0.000 1.154 144 Y CA 2.198 60.354 58.100 0.093 0.000 1.149 144 Y CB -0.178 38.248 38.460 -0.056 0.000 0.976 144 Y HN 0.164 nan 8.280 nan 0.000 0.505 145 E N -0.126 120.215 120.200 0.234 0.000 2.058 145 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 145 E C 2.199 178.854 176.600 0.092 0.000 0.997 145 E CA 1.258 57.766 56.400 0.180 0.000 0.801 145 E CB -0.332 29.564 29.700 0.327 0.000 0.746 145 E HN 0.567 nan 8.360 nan 0.000 0.450 146 A N 0.327 123.222 122.820 0.125 0.000 1.929 146 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 146 A C 2.003 179.602 177.584 0.025 0.000 1.176 146 A CA 0.931 53.031 52.037 0.105 0.000 0.628 146 A CB -0.097 19.007 19.000 0.173 0.000 0.816 146 A HN 0.313 nan 8.150 nan 0.000 0.444 147 L N -1.317 119.887 121.223 -0.031 0.000 2.672 147 L HA 0.160 4.500 4.340 -0.000 0.000 0.236 147 L C 0.808 177.630 176.870 -0.080 0.000 1.092 147 L CA -0.242 54.548 54.840 -0.083 0.000 0.887 147 L CB -0.156 41.789 42.059 -0.189 0.000 1.168 147 L HN 0.373 nan 8.230 nan 0.000 0.502 148 N N 1.926 120.547 118.700 -0.131 0.000 2.454 148 N HA -0.104 4.636 4.740 -0.000 0.000 0.260 148 N C -0.162 175.314 175.510 -0.057 0.000 1.218 148 N CA 0.215 53.193 53.050 -0.119 0.000 0.904 148 N CB 0.302 38.461 38.487 -0.547 0.000 1.065 148 N HN 0.214 nan 8.380 nan 0.000 0.462 149 N N 1.060 119.784 118.700 0.040 0.000 2.741 149 N HA -0.167 4.573 4.740 -0.000 0.000 0.251 149 N C -1.130 174.400 175.510 0.033 0.000 1.112 149 N CA 0.874 53.955 53.050 0.051 0.000 0.750 149 N CB -0.561 37.948 38.487 0.036 0.000 1.119 149 N HN 0.632 nan 8.380 nan 0.000 0.561 150 R N 0.998 121.512 120.500 0.025 0.000 2.532 150 R HA 0.303 4.643 4.340 -0.000 0.000 0.295 150 R C 0.358 176.678 176.300 0.034 0.000 0.968 150 R CA -0.576 55.535 56.100 0.019 0.000 0.916 150 R CB 0.626 30.927 30.300 0.002 0.000 1.124 150 R HN 0.207 nan 8.270 nan 0.000 0.463 151 N N 1.293 120.014 118.700 0.035 0.000 2.430 151 N HA 0.167 4.907 4.740 -0.000 0.000 0.265 151 N C -0.891 174.656 175.510 0.060 0.000 1.100 151 N CA -0.108 52.971 53.050 0.048 0.000 0.961 151 N CB 0.554 39.059 38.487 0.030 0.000 1.075 151 N HN 0.384 nan 8.380 nan 0.000 0.478 152 C N 2.077 121.436 119.300 0.098 0.000 2.848 152 C HA 0.544 5.004 4.460 -0.000 0.000 0.317 152 C C -0.472 174.642 174.990 0.208 0.000 1.260 152 C CA -0.991 58.086 59.018 0.098 0.000 1.656 152 C CB 1.807 29.563 27.740 0.026 0.000 2.174 152 C HN 0.686 nan 8.230 nan 0.000 0.479 153 K N 0.529 121.036 120.400 0.177 0.000 2.267 153 K HA 0.892 5.212 4.320 -0.000 0.000 0.246 153 K C -1.952 174.819 176.600 0.284 0.000 0.954 153 K CA -0.549 55.929 56.287 0.318 0.000 0.824 153 K CB 1.153 33.710 32.500 0.094 0.000 1.167 153 K HN 0.416 nan 8.250 nan 0.000 0.431 154 L N 1.918 123.376 121.223 0.391 0.000 2.372 154 L HA 0.293 4.633 4.340 -0.000 0.000 0.273 154 L C -0.543 176.543 176.870 0.361 0.000 0.989 154 L CA -0.312 54.658 54.840 0.217 0.000 0.841 154 L CB 1.827 43.786 42.059 -0.166 0.000 1.225 154 L HN 0.689 nan 8.230 nan 0.000 0.414 155 Q N 1.751 121.639 119.800 0.147 0.000 2.271 155 Q HA 0.327 4.667 4.340 -0.000 0.000 0.258 155 Q C -0.318 175.619 176.000 -0.105 0.000 0.936 155 Q CA -0.426 55.177 55.803 -0.333 0.000 0.909 155 Q CB 1.881 30.235 28.738 -0.641 0.000 1.253 155 Q HN 0.596 nan 8.270 nan 0.000 0.440 156 T N 1.930 116.291 114.554 -0.322 0.000 2.916 156 T HA -0.054 4.296 4.350 -0.000 0.000 0.303 156 T C 0.964 175.386 174.700 -0.463 0.000 1.025 156 T CA 0.032 61.702 62.100 -0.717 0.000 1.142 156 T CB 1.007 69.434 68.868 -0.735 0.000 0.947 156 T HN 0.758 nan 8.240 nan 0.000 0.544 157 Q N 3.535 123.061 119.800 -0.457 0.000 2.364 157 Q HA 0.011 4.351 4.340 -0.000 0.000 0.209 157 Q C 1.838 177.690 176.000 -0.247 0.000 0.977 157 Q CA 1.501 57.135 55.803 -0.281 0.000 0.885 157 Q CB -0.580 28.017 28.738 -0.235 0.000 0.941 157 Q HN 0.881 nan 8.270 nan 0.000 0.464 158 L N -0.194 120.855 121.223 -0.289 0.000 2.191 158 L HA -0.050 4.290 4.340 -0.000 0.000 0.212 158 L C 0.774 177.540 176.870 -0.173 0.000 1.103 158 L CA 0.749 55.461 54.840 -0.213 0.000 0.769 158 L CB -0.152 41.778 42.059 -0.216 0.000 0.908 158 L HN 0.218 nan 8.230 nan 0.000 0.438 159 N N -1.524 117.061 118.700 -0.192 0.000 2.718 159 N HA -0.012 4.728 4.740 -0.000 0.000 0.260 159 N C 0.513 175.914 175.510 -0.180 0.000 1.089 159 N CA 0.434 53.392 53.050 -0.153 0.000 1.021 159 N CB 1.521 39.932 38.487 -0.127 0.000 1.618 159 N HN -0.096 nan 8.380 nan 0.000 0.554 160 S N 1.257 116.879 115.700 -0.130 0.000 2.469 160 S HA -0.099 4.371 4.470 -0.000 0.000 0.238 160 S C 0.612 175.162 174.600 -0.084 0.000 0.998 160 S CA 1.040 59.167 58.200 -0.121 0.000 0.957 160 S CB 0.092 63.257 63.200 -0.057 0.000 0.764 160 S HN 0.552 nan 8.310 nan 0.000 0.514 161 D N 0.860 121.245 120.400 -0.025 0.000 2.891 161 D HA 0.304 4.944 4.640 -0.000 0.000 0.312 161 D C -0.675 175.730 176.300 0.175 0.000 1.354 161 D CA -0.338 53.767 54.000 0.175 0.000 0.838 161 D CB 0.204 41.113 40.800 0.181 0.000 1.117 161 D HN 0.013 nan 8.370 nan 0.000 0.473 162 R N 0.642 121.098 120.500 -0.074 0.000 2.476 162 R HA 0.453 4.793 4.340 -0.000 0.000 0.305 162 R C -1.121 175.106 176.300 -0.122 0.000 0.965 162 R CA -0.505 55.614 56.100 0.033 0.000 0.867 162 R CB 0.654 30.928 30.300 -0.043 0.000 1.176 162 R HN 0.023 nan 8.270 nan 0.000 0.447 163 F N 1.215 121.351 119.950 0.310 0.000 2.577 163 F HA 0.377 4.904 4.527 -0.000 0.000 0.318 163 F C 0.365 176.411 175.800 0.410 0.000 1.065 163 F CA -1.299 56.936 58.000 0.391 0.000 0.929 163 F CB 1.367 40.674 39.000 0.512 0.000 1.237 163 F HN 0.189 nan 8.300 nan 0.000 0.468 164 L N 2.584 124.138 121.223 0.552 0.000 2.562 164 L HA 0.231 4.571 4.340 -0.000 0.000 0.271 164 L C -0.490 176.723 176.870 0.573 0.000 1.167 164 L CA 0.836 55.882 54.840 0.343 0.000 0.917 164 L CB -0.599 41.360 42.059 -0.166 0.000 1.187 164 L HN 0.520 nan 8.230 nan 0.000 0.482 165 S N 4.882 120.869 115.700 0.478 0.000 2.614 165 S HA 0.327 4.797 4.470 -0.000 0.000 0.288 165 S C -0.720 174.061 174.600 0.301 0.000 1.137 165 S CA -0.954 57.492 58.200 0.410 0.000 0.992 165 S CB 1.466 64.876 63.200 0.350 0.000 1.026 165 S HN 0.574 nan 8.310 nan 0.000 0.486 166 K N 2.714 123.249 120.400 0.224 0.000 2.447 166 K HA 0.079 4.399 4.320 -0.000 0.000 0.281 166 K C -0.009 176.578 176.600 -0.020 0.000 1.031 166 K CA 0.072 56.420 56.287 0.101 0.000 1.019 166 K CB 0.165 32.655 32.500 -0.016 0.000 0.918 166 K HN 0.623 nan 8.250 nan 0.000 0.476 167 N N 3.006 121.699 118.700 -0.011 0.000 2.441 167 N HA -0.011 4.729 4.740 -0.000 0.000 0.251 167 N C -0.345 175.067 175.510 -0.164 0.000 1.242 167 N CA -0.363 52.622 53.050 -0.108 0.000 0.898 167 N CB 0.448 38.914 38.487 -0.035 0.000 1.100 167 N HN 0.394 nan 8.380 nan 0.000 0.443 168 L N 2.730 123.796 121.223 -0.261 0.000 2.490 168 L HA -0.049 4.291 4.340 -0.000 0.000 0.274 168 L C 1.072 177.862 176.870 -0.133 0.000 1.201 168 L CA 0.208 54.916 54.840 -0.221 0.000 0.869 168 L CB 0.033 41.928 42.059 -0.274 0.000 1.123 168 L HN 0.758 nan 8.230 nan 0.000 0.484 169 N N 0.496 119.134 118.700 -0.103 0.000 2.741 169 N HA -0.219 4.521 4.740 -0.000 0.000 0.250 169 N C -0.702 174.792 175.510 -0.027 0.000 1.115 169 N CA 1.153 54.166 53.050 -0.062 0.000 0.724 169 N CB -0.439 38.012 38.487 -0.061 0.000 1.090 169 N HN 0.717 nan 8.380 nan 0.000 0.558 170 S N -1.745 113.944 115.700 -0.019 0.000 2.565 170 S HA 0.417 4.887 4.470 -0.000 0.000 0.269 170 S C -0.020 174.602 174.600 0.036 0.000 1.153 170 S CA -0.557 57.656 58.200 0.022 0.000 0.835 170 S CB 1.217 64.437 63.200 0.033 0.000 1.122 170 S HN 0.108 nan 8.310 nan 0.000 0.462 171 Q N 1.361 121.208 119.800 0.078 0.000 2.392 171 Q HA 0.309 4.649 4.340 -0.000 0.000 0.203 171 Q C 0.098 176.185 176.000 0.144 0.000 0.917 171 Q CA 0.360 56.229 55.803 0.109 0.000 0.939 171 Q CB -0.081 28.743 28.738 0.145 0.000 1.063 171 Q HN 0.662 nan 8.270 nan 0.000 0.516 172 I N 1.477 122.124 120.570 0.129 0.000 2.529 172 I HA 0.086 4.256 4.170 -0.000 0.000 0.284 172 I C 0.197 176.385 176.117 0.119 0.000 1.082 172 I CA -0.229 61.153 61.300 0.137 0.000 1.406 172 I CB 0.665 38.730 38.000 0.109 0.000 1.405 172 I HN -0.104 nan 8.210 nan 0.000 0.548 173 I N 7.082 127.738 120.570 0.144 0.000 2.359 173 I HA 0.414 4.584 4.170 -0.000 0.000 0.294 173 I C -0.045 176.142 176.117 0.117 0.000 0.987 173 I CA -0.470 60.928 61.300 0.164 0.000 1.225 173 I CB 1.439 39.550 38.000 0.185 0.000 1.366 173 I HN 0.356 nan 8.210 nan 0.000 0.466 174 V N 4.013 124.018 119.914 0.152 0.000 3.156 174 V HA 0.561 4.681 4.120 -0.000 0.000 0.310 174 V C -0.604 175.639 176.094 0.249 0.000 1.234 174 V CA -1.162 61.217 62.300 0.132 0.000 1.065 174 V CB 1.901 33.764 31.823 0.066 0.000 1.088 174 V HN 0.479 nan 8.190 nan 0.000 0.451 175 L N 1.893 123.247 121.223 0.218 0.000 2.380 175 L HA 0.420 4.760 4.340 -0.000 0.000 0.273 175 L C -0.586 176.484 176.870 0.333 0.000 1.138 175 L CA 0.144 55.139 54.840 0.258 0.000 0.832 175 L CB 0.900 43.038 42.059 0.131 0.000 1.124 175 L HN 0.714 nan 8.230 nan 0.000 0.454 176 W N 3.464 124.905 121.300 0.235 0.000 3.296 176 W HA 0.187 4.847 4.660 -0.000 0.000 0.314 176 W C -0.526 176.204 176.519 0.352 0.000 1.238 176 W CA -0.772 56.726 57.345 0.255 0.000 1.193 176 W CB 1.868 31.470 29.460 0.236 0.000 1.383 176 W HN 0.514 nan 8.180 nan 0.000 0.545 177 Q N 3.651 123.720 119.800 0.449 0.000 2.342 177 Q HA -0.156 4.184 4.340 -0.000 0.000 0.330 177 Q C 0.197 176.475 176.000 0.463 0.000 1.117 177 Q CA 0.603 56.647 55.803 0.402 0.000 1.010 177 Q CB 0.649 29.489 28.738 0.171 0.000 1.204 177 Q HN 0.497 nan 8.270 nan 0.000 0.400 178 W N 5.708 127.087 121.300 0.132 0.000 2.381 178 W HA 0.029 4.690 4.660 0.000 0.000 0.321 178 W C -1.216 175.135 176.519 -0.280 0.000 1.407 178 W CA -0.140 57.119 57.345 -0.144 0.000 1.274 178 W CB 0.208 29.430 29.460 -0.397 0.000 1.310 178 W HN 0.796 nan 8.180 nan 0.000 0.551 179 F N 3.603 123.126 119.950 -0.712 0.000 2.729 179 F HA 0.009 4.536 4.527 -0.000 0.000 0.315 179 F C 0.911 176.227 175.800 -0.807 0.000 1.102 179 F CA -0.049 57.618 58.000 -0.555 0.000 1.204 179 F CB 0.011 38.802 39.000 -0.349 0.000 1.052 179 F HN 0.301 nan 8.300 nan 0.000 0.551 180 D N 0.873 120.345 120.400 -1.547 0.000 2.837 180 D HA -0.221 4.419 4.640 -0.000 0.000 0.230 180 D C 0.179 176.115 176.300 -0.607 0.000 1.152 180 D CA 0.667 54.066 54.000 -1.001 0.000 0.736 180 D CB -0.987 39.665 40.800 -0.246 0.000 1.084 180 D HN 0.138 nan 8.370 nan 0.000 0.429 181 S N -1.244 114.045 115.700 -0.685 0.000 2.565 181 S HA 0.420 4.890 4.470 -0.000 0.000 0.274 181 S C 1.728 176.105 174.600 -0.371 0.000 1.309 181 S CA 0.289 58.236 58.200 -0.421 0.000 1.043 181 S CB 1.222 64.195 63.200 -0.377 0.000 0.939 181 S HN 0.369 nan 8.310 nan 0.000 0.504 182 S N 4.810 120.337 115.700 -0.288 0.000 2.440 182 S HA -0.162 4.308 4.470 -0.000 0.000 0.240 182 S C 1.520 175.903 174.600 -0.362 0.000 1.014 182 S CA 0.917 58.950 58.200 -0.280 0.000 0.980 182 S CB -0.406 62.654 63.200 -0.234 0.000 0.775 182 S HN 0.824 nan 8.310 nan 0.000 0.499 183 R N 0.918 121.211 120.500 -0.345 0.000 2.280 183 R HA 0.115 4.455 4.340 -0.000 0.000 0.207 183 R C 1.564 177.653 176.300 -0.352 0.000 1.043 183 R CA 1.007 56.895 56.100 -0.353 0.000 1.006 183 R CB -0.147 29.991 30.300 -0.270 0.000 0.885 183 R HN 0.638 nan 8.270 nan 0.000 0.467 184 Q N -0.147 119.470 119.800 -0.305 0.000 2.159 184 Q HA 0.157 4.496 4.340 -0.000 0.000 0.217 184 Q C -0.601 175.400 176.000 0.003 0.000 0.818 184 Q CA 0.063 55.852 55.803 -0.024 0.000 1.008 184 Q CB 1.125 29.837 28.738 -0.042 0.000 1.148 184 Q HN 0.048 nan 8.270 nan 0.000 0.491 185 K N 0.496 120.666 120.400 -0.382 0.000 2.323 185 K HA 0.388 4.708 4.320 -0.000 0.000 0.259 185 K C -1.539 174.777 176.600 -0.474 0.000 0.947 185 K CA -0.343 55.827 56.287 -0.196 0.000 0.819 185 K CB 1.245 33.685 32.500 -0.101 0.000 1.109 185 K HN -0.042 nan 8.250 nan 0.000 0.429 186 W N 1.436 122.737 121.300 0.001 0.000 2.647 186 W HA 0.225 4.885 4.660 -0.000 0.000 0.328 186 W C -0.449 176.049 176.519 -0.034 0.000 1.018 186 W CA -0.663 56.658 57.345 -0.040 0.000 1.245 186 W CB 1.867 31.282 29.460 -0.075 0.000 1.356 186 W HN 0.317 nan 8.180 nan 0.000 0.443 187 T N 4.863 119.509 114.554 0.153 0.000 2.737 187 T HA 0.385 4.735 4.350 -0.000 0.000 0.296 187 T C 0.191 174.989 174.700 0.164 0.000 0.922 187 T CA -0.250 61.921 62.100 0.119 0.000 1.079 187 T CB 0.231 69.145 68.868 0.078 0.000 0.892 187 T HN 0.150 nan 8.240 nan 0.000 0.514 188 I N 3.879 124.522 120.570 0.123 0.000 2.342 188 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 188 I C 0.461 176.716 176.117 0.230 0.000 1.010 188 I CA -0.286 61.093 61.300 0.131 0.000 1.308 188 I CB 0.785 38.766 38.000 -0.032 0.000 1.400 188 I HN 0.579 nan 8.210 nan 0.000 0.488 189 E N 5.653 126.067 120.200 0.357 0.000 2.260 189 E HA 0.223 4.573 4.350 -0.000 0.000 0.266 189 E C -1.427 175.436 176.600 0.438 0.000 0.887 189 E CA -0.809 55.805 56.400 0.357 0.000 0.777 189 E CB 2.460 32.319 29.700 0.264 0.000 1.205 189 E HN 0.393 nan 8.360 nan 0.000 0.414 190 Y N 3.356 123.803 120.300 0.244 0.000 2.377 190 Y HA 0.083 4.633 4.550 -0.000 0.000 0.330 190 Y C -0.028 175.900 175.900 0.048 0.000 1.108 190 Y CA -0.039 58.030 58.100 -0.051 0.000 1.308 190 Y CB 0.594 39.073 38.460 0.031 0.000 1.216 190 Y HN 0.445 nan 8.280 nan 0.000 0.518 191 N N 5.527 123.938 118.700 -0.480 0.000 2.437 191 N HA 0.047 4.787 4.740 -0.000 0.000 0.259 191 N C 0.363 175.499 175.510 -0.623 0.000 0.983 191 N CA -0.208 52.646 53.050 -0.325 0.000 0.937 191 N CB 1.027 39.463 38.487 -0.085 0.000 1.122 191 N HN 0.803 nan 8.380 nan 0.000 0.499 192 E N 2.077 122.107 120.200 -0.283 0.000 2.110 192 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 192 E C 1.077 177.568 176.600 -0.181 0.000 0.988 192 E CA 1.493 57.797 56.400 -0.160 0.000 0.804 192 E CB -0.059 29.655 29.700 0.024 0.000 0.745 192 E HN 0.643 nan 8.360 nan 0.000 0.458 193 T N 1.188 115.634 114.554 -0.180 0.000 2.812 193 T HA -0.074 4.276 4.350 -0.000 0.000 0.264 193 T C 1.814 176.375 174.700 -0.232 0.000 1.042 193 T CA 1.116 63.116 62.100 -0.167 0.000 1.140 193 T CB 0.017 68.799 68.868 -0.143 0.000 0.870 193 T HN -0.079 nan 8.240 nan 0.000 0.445 194 K N 1.286 121.477 120.400 -0.350 0.000 2.296 194 K HA 0.212 4.532 4.320 -0.000 0.000 0.200 194 K C 0.905 177.322 176.600 -0.304 0.000 1.048 194 K CA 0.038 56.087 56.287 -0.396 0.000 0.966 194 K CB -0.223 31.882 32.500 -0.658 0.000 0.754 194 K HN 0.186 nan 8.250 nan 0.000 0.466 195 S N -0.662 114.810 115.700 -0.380 0.000 3.631 195 S HA -0.177 4.293 4.470 -0.000 0.000 0.366 195 S C -0.185 174.247 174.600 -0.279 0.000 0.993 195 S CA 0.589 58.584 58.200 -0.341 0.000 1.167 195 S CB -1.696 61.482 63.200 -0.037 0.000 0.909 195 S HN 0.549 nan 8.310 nan 0.000 0.478 196 A N -0.238 122.285 122.820 -0.495 0.000 2.564 196 A HA 0.792 5.112 4.320 -0.000 0.000 0.291 196 A C -1.414 176.093 177.584 -0.129 0.000 1.102 196 A CA -0.874 51.091 52.037 -0.121 0.000 0.660 196 A CB 0.883 19.933 19.000 0.084 0.000 1.283 196 A HN 0.276 nan 8.150 nan 0.000 0.430 197 Y N 0.211 120.693 120.300 0.303 0.000 2.457 197 Y HA 0.618 5.168 4.550 -0.000 0.000 0.333 197 Y C 1.156 177.228 175.900 0.286 0.000 1.119 197 Y CA 0.258 58.537 58.100 0.299 0.000 1.143 197 Y CB 2.240 40.865 38.460 0.275 0.000 1.230 197 Y HN 0.797 nan 8.280 nan 0.000 0.469 198 T N -0.045 114.720 114.554 0.353 0.000 2.940 198 T HA 0.793 5.143 4.350 -0.000 0.000 0.288 198 T C -1.209 173.675 174.700 0.306 0.000 1.033 198 T CA -0.880 61.360 62.100 0.235 0.000 1.033 198 T CB 1.342 70.195 68.868 -0.023 0.000 1.079 198 T HN 0.327 nan 8.240 nan 0.000 0.496 199 L N 1.452 122.856 121.223 0.302 0.000 2.372 199 L HA 0.549 4.889 4.340 -0.000 0.000 0.274 199 L C -0.110 177.032 176.870 0.453 0.000 0.988 199 L CA -0.524 54.471 54.840 0.259 0.000 0.833 199 L CB 1.961 43.979 42.059 -0.069 0.000 1.236 199 L HN 0.731 nan 8.230 nan 0.000 0.410 200 K N 2.803 123.413 120.400 0.349 0.000 2.293 200 K HA 0.396 4.716 4.320 -0.000 0.000 0.267 200 K C -0.701 175.845 176.600 -0.089 0.000 1.010 200 K CA -0.519 55.776 56.287 0.013 0.000 0.875 200 K CB 1.327 33.720 32.500 -0.177 0.000 1.106 200 K HN 0.715 nan 8.250 nan 0.000 0.450 201 C N 4.266 123.376 119.300 -0.316 0.000 2.648 201 C HA 0.030 4.490 4.460 -0.000 0.000 0.419 201 C C 1.822 176.504 174.990 -0.515 0.000 1.352 201 C CA 0.026 58.544 59.018 -0.834 0.000 1.816 201 C CB 0.102 27.357 27.740 -0.808 0.000 2.598 201 C HN 1.081 nan 8.230 nan 0.000 0.598 202 Q N 2.242 121.741 119.800 -0.501 0.000 2.167 202 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 202 Q C 2.087 177.920 176.000 -0.278 0.000 0.970 202 Q CA 1.817 57.431 55.803 -0.315 0.000 0.855 202 Q CB -0.126 28.457 28.738 -0.258 0.000 0.911 202 Q HN 0.954 nan 8.270 nan 0.000 0.438 203 E N 0.559 120.566 120.200 -0.321 0.000 2.085 203 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 203 E C 0.728 177.207 176.600 -0.203 0.000 0.994 203 E CA 1.599 57.850 56.400 -0.249 0.000 0.801 203 E CB 0.126 29.672 29.700 -0.258 0.000 0.743 203 E HN 0.559 nan 8.360 nan 0.000 0.453 204 N N -1.298 117.271 118.700 -0.218 0.000 2.143 204 N HA 0.012 4.752 4.740 -0.000 0.000 0.229 204 N C -0.665 174.734 175.510 -0.185 0.000 1.294 204 N CA 0.337 53.284 53.050 -0.172 0.000 0.883 204 N CB -0.588 37.814 38.487 -0.141 0.000 1.148 204 N HN 0.120 nan 8.380 nan 0.000 0.511 205 N N -0.213 118.345 118.700 -0.237 0.000 2.708 205 N HA -0.230 4.510 4.740 -0.000 0.000 0.249 205 N C -0.872 174.384 175.510 -0.422 0.000 1.097 205 N CA 0.565 53.440 53.050 -0.291 0.000 0.710 205 N CB -0.643 37.733 38.487 -0.184 0.000 1.032 205 N HN 0.438 nan 8.380 nan 0.000 0.551 206 R N -0.440 119.833 120.500 -0.378 0.000 2.828 206 R HA 0.586 4.926 4.340 -0.000 0.000 0.264 206 R C -0.959 175.168 176.300 -0.288 0.000 1.022 206 R CA -0.530 55.388 56.100 -0.303 0.000 1.021 206 R CB 0.982 31.239 30.300 -0.072 0.000 1.163 206 R HN 0.052 nan 8.270 nan 0.000 0.494 207 Y N 0.517 120.920 120.300 0.172 0.000 2.409 207 Y HA 0.294 4.844 4.550 -0.000 0.000 0.339 207 Y C -0.145 175.938 175.900 0.305 0.000 1.033 207 Y CA -1.125 57.115 58.100 0.233 0.000 1.094 207 Y CB 1.189 39.738 38.460 0.149 0.000 1.210 207 Y HN 0.326 nan 8.280 nan 0.000 0.456 208 L N 3.400 124.895 121.223 0.454 0.000 2.615 208 L HA 0.174 4.514 4.340 -0.000 0.000 0.271 208 L C -0.421 176.755 176.870 0.510 0.000 1.183 208 L CA 1.062 56.067 54.840 0.275 0.000 0.933 208 L CB -0.614 41.306 42.059 -0.231 0.000 1.199 208 L HN 0.700 nan 8.230 nan 0.000 0.487 209 T N 4.720 119.557 114.554 0.471 0.000 2.952 209 T HA 0.175 4.525 4.350 -0.000 0.000 0.305 209 T C -1.300 173.669 174.700 0.448 0.000 1.064 209 T CA -0.391 61.969 62.100 0.433 0.000 1.008 209 T CB 0.743 69.797 68.868 0.310 0.000 1.078 209 T HN 0.565 nan 8.240 nan 0.000 0.459 210 W N 5.825 127.215 121.300 0.151 0.000 2.419 210 W HA 0.415 5.075 4.660 -0.000 0.000 0.312 210 W C -1.190 175.330 176.519 0.003 0.000 1.323 210 W CA -1.653 55.743 57.345 0.085 0.000 1.293 210 W CB -0.103 29.337 29.460 -0.034 0.000 1.324 210 W HN 0.383 nan 8.180 nan 0.000 0.512 211 I N 7.139 127.887 120.570 0.296 0.000 2.287 211 I HA 0.086 4.256 4.170 -0.000 0.000 0.290 211 I C 0.351 176.415 176.117 -0.088 0.000 1.069 211 I CA -0.593 60.712 61.300 0.008 0.000 1.237 211 I CB 0.390 38.436 38.000 0.076 0.000 1.418 211 I HN 0.296 nan 8.210 nan 0.000 0.481 212 Q N 7.597 127.143 119.800 -0.423 0.000 2.324 212 Q HA 0.226 4.566 4.340 -0.000 0.000 0.257 212 Q C -0.053 175.826 176.000 -0.201 0.000 1.080 212 Q CA 0.124 55.661 55.803 -0.443 0.000 0.907 212 Q CB 0.567 28.889 28.738 -0.694 0.000 1.274 212 Q HN 0.745 nan 8.270 nan 0.000 0.434 213 N N -1.296 117.343 118.700 -0.102 0.000 3.364 213 N HA 0.116 4.856 4.740 -0.000 0.000 0.294 213 N C 0.366 175.823 175.510 -0.088 0.000 1.562 213 N CA -0.371 52.619 53.050 -0.100 0.000 0.862 213 N CB 0.423 38.845 38.487 -0.109 0.000 1.691 213 N HN 0.269 nan 8.380 nan 0.000 0.572 214 S N -0.282 115.354 115.700 -0.107 0.000 2.419 214 S HA -0.173 4.297 4.470 -0.000 0.000 0.235 214 S C 1.049 175.536 174.600 -0.188 0.000 1.019 214 S CA 1.435 59.572 58.200 -0.104 0.000 0.982 214 S CB -0.954 62.194 63.200 -0.087 0.000 0.789 214 S HN 0.602 nan 8.310 nan 0.000 0.490 215 N N 1.720 120.209 118.700 -0.353 0.000 2.300 215 N HA 0.057 4.797 4.740 -0.000 0.000 0.179 215 N C -0.190 175.020 175.510 -0.500 0.000 1.016 215 N CA 0.538 53.166 53.050 -0.703 0.000 0.876 215 N CB -0.213 37.381 38.487 -1.488 0.000 0.979 215 N HN 0.282 nan 8.380 nan 0.000 0.432 216 N N 0.086 118.673 118.700 -0.188 0.000 2.721 216 N HA -0.217 4.523 4.740 -0.000 0.000 0.249 216 N C -1.134 174.515 175.510 0.232 0.000 1.072 216 N CA 0.764 53.923 53.050 0.183 0.000 0.710 216 N CB -1.526 37.107 38.487 0.243 0.000 0.993 216 N HN 0.478 nan 8.380 nan 0.000 0.547 217 Y N -0.360 120.022 120.300 0.136 0.000 2.457 217 Y HA 0.177 4.727 4.550 -0.000 0.000 0.341 217 Y C 1.579 177.620 175.900 0.235 0.000 1.240 217 Y CA -0.977 57.206 58.100 0.139 0.000 1.437 217 Y CB 0.616 39.141 38.460 0.107 0.000 1.328 217 Y HN -0.071 nan 8.280 nan 0.000 0.588 218 V N -0.219 119.926 119.914 0.384 0.000 2.607 218 V HA 0.438 4.558 4.120 -0.000 0.000 0.289 218 V C -0.537 175.731 176.094 0.290 0.000 1.053 218 V CA -0.844 61.651 62.300 0.325 0.000 0.996 218 V CB 1.266 33.214 31.823 0.209 0.000 0.995 218 V HN 0.775 nan 8.190 nan 0.000 0.476 219 E N 1.663 122.040 120.200 0.295 0.000 2.392 219 E HA 0.491 4.841 4.350 -0.000 0.000 0.269 219 E C -0.695 176.090 176.600 0.308 0.000 0.924 219 E CA -0.864 55.701 56.400 0.276 0.000 0.784 219 E CB 2.192 32.053 29.700 0.268 0.000 1.292 219 E HN 0.915 nan 8.360 nan 0.000 0.447 220 T N -0.667 114.061 114.554 0.290 0.000 2.870 220 T HA 0.296 4.646 4.350 -0.000 0.000 0.300 220 T C -0.718 174.174 174.700 0.320 0.000 0.989 220 T CA -0.224 62.049 62.100 0.288 0.000 1.139 220 T CB 0.216 69.188 68.868 0.173 0.000 0.920 220 T HN 0.423 nan 8.240 nan 0.000 0.537 221 Y N 2.424 122.841 120.300 0.194 0.000 2.553 221 Y HA 0.324 4.874 4.550 -0.000 0.000 0.347 221 Y C 0.047 176.079 175.900 0.219 0.000 1.019 221 Y CA -1.201 57.002 58.100 0.173 0.000 1.032 221 Y CB 1.780 40.338 38.460 0.164 0.000 1.284 221 Y HN 0.873 nan 8.280 nan 0.000 0.466 222 Q N 2.112 121.671 119.800 -0.401 0.000 2.540 222 Q HA 0.161 4.501 4.340 -0.000 0.000 0.256 222 Q C -0.091 175.986 176.000 0.129 0.000 1.084 222 Q CA 0.070 55.799 55.803 -0.122 0.000 0.956 222 Q CB 0.320 28.893 28.738 -0.276 0.000 1.303 222 Q HN 0.727 nan 8.270 nan 0.000 0.509 223 S N 0.233 116.057 115.700 0.207 0.000 2.552 223 S HA 0.212 4.682 4.470 -0.000 0.000 0.289 223 S C -0.016 174.624 174.600 0.068 0.000 1.304 223 S CA 0.053 58.272 58.200 0.031 0.000 1.063 223 S CB 0.720 63.917 63.200 -0.006 0.000 0.848 223 S HN 0.736 nan 8.310 nan 0.000 0.499 224 T N 0.478 115.070 114.554 0.063 0.000 2.900 224 T HA 0.365 4.715 4.350 -0.000 0.000 0.303 224 T C -0.272 174.521 174.700 0.154 0.000 1.142 224 T CA -0.730 61.446 62.100 0.127 0.000 1.007 224 T CB 1.496 70.487 68.868 0.205 0.000 1.156 224 T HN 0.559 nan 8.240 nan 0.000 0.490 225 D N 1.340 121.819 120.400 0.132 0.000 2.347 225 D HA 0.107 4.747 4.640 -0.000 0.000 0.215 225 D C 0.941 177.315 176.300 0.124 0.000 0.976 225 D CA 0.484 54.558 54.000 0.124 0.000 0.884 225 D CB 0.112 40.929 40.800 0.029 0.000 0.915 225 D HN 0.405 nan 8.370 nan 0.000 0.526 226 S N 0.125 115.901 115.700 0.127 0.000 2.560 226 S HA 0.060 4.530 4.470 -0.000 0.000 0.284 226 S C 1.587 176.280 174.600 0.155 0.000 1.327 226 S CA -0.524 57.720 58.200 0.075 0.000 1.055 226 S CB 0.524 63.736 63.200 0.021 0.000 0.868 226 S HN 0.090 nan 8.310 nan 0.000 0.506 227 L N 5.160 126.421 121.223 0.064 0.000 2.265 227 L HA -0.115 4.225 4.340 -0.000 0.000 0.215 227 L C 2.129 179.035 176.870 0.059 0.000 1.117 227 L CA 1.047 55.936 54.840 0.081 0.000 0.782 227 L CB -0.796 41.256 42.059 -0.011 0.000 0.914 227 L HN 0.821 nan 8.230 nan 0.000 0.441 228 I N -2.553 118.016 120.570 -0.001 0.000 2.530 228 I HA -0.280 3.890 4.170 -0.000 0.000 0.257 228 I C 2.218 178.289 176.117 -0.077 0.000 1.179 228 I CA 1.385 62.658 61.300 -0.044 0.000 1.440 228 I CB -0.387 37.544 38.000 -0.115 0.000 1.087 228 I HN 0.288 nan 8.210 nan 0.000 0.440 229 Q N -0.366 119.400 119.800 -0.056 0.000 2.319 229 Q HA 0.192 4.532 4.340 -0.000 0.000 0.202 229 Q C -0.672 175.085 176.000 -0.406 0.000 0.896 229 Q CA -0.120 55.596 55.803 -0.145 0.000 0.942 229 Q CB 0.341 28.954 28.738 -0.208 0.000 1.083 229 Q HN 0.592 nan 8.270 nan 0.000 0.510 230 Y N -1.132 119.010 120.300 -0.263 0.000 2.468 230 Y HA 0.448 4.998 4.550 -0.000 0.000 0.342 230 Y C -1.151 174.515 175.900 -0.390 0.000 1.021 230 Y CA -0.827 57.186 58.100 -0.146 0.000 1.079 230 Y CB 1.176 39.584 38.460 -0.087 0.000 1.226 230 Y HN 0.011 nan 8.280 nan 0.000 0.460 231 W N 1.963 123.411 121.300 0.246 0.000 2.957 231 W HA 0.411 5.071 4.660 -0.000 0.000 0.336 231 W C -0.987 175.700 176.519 0.281 0.000 1.087 231 W CA -0.794 56.671 57.345 0.200 0.000 1.235 231 W CB 1.162 30.680 29.460 0.096 0.000 1.399 231 W HN 0.319 nan 8.180 nan 0.000 0.480 232 N N 3.611 122.593 118.700 0.469 0.000 2.415 232 N HA 0.323 5.063 4.740 -0.000 0.000 0.246 232 N C -0.629 175.158 175.510 0.462 0.000 1.078 232 N CA -0.130 53.184 53.050 0.440 0.000 0.942 232 N CB 0.861 39.538 38.487 0.316 0.000 1.140 232 N HN 0.359 nan 8.380 nan 0.000 0.501 233 I N 2.253 123.058 120.570 0.391 0.000 2.312 233 I HA 0.177 4.347 4.170 -0.000 0.000 0.291 233 I C 0.450 176.669 176.117 0.169 0.000 1.031 233 I CA -0.228 61.175 61.300 0.172 0.000 1.293 233 I CB 0.437 38.352 38.000 -0.142 0.000 1.403 233 I HN 0.319 nan 8.210 nan 0.000 0.484 234 N N 5.127 123.947 118.700 0.200 0.000 2.571 234 N HA 0.428 5.168 4.740 -0.000 0.000 0.273 234 N C -1.186 174.346 175.510 0.037 0.000 1.340 234 N CA -0.639 52.463 53.050 0.086 0.000 0.789 234 N CB 1.734 40.367 38.487 0.244 0.000 1.514 234 N HN 0.228 nan 8.380 nan 0.000 0.499 235 Y N 0.290 120.617 120.300 0.045 0.000 2.298 235 Y HA 0.259 4.809 4.550 -0.000 0.000 0.329 235 Y C 0.848 176.761 175.900 0.021 0.000 1.293 235 Y CA -0.876 57.164 58.100 -0.101 0.000 1.388 235 Y CB 0.696 39.045 38.460 -0.185 0.000 1.309 235 Y HN 0.320 nan 8.280 nan 0.000 0.544 236 L N 2.237 123.571 121.223 0.183 0.000 2.506 236 L HA -0.096 4.244 4.340 -0.000 0.000 0.281 236 L C 1.241 178.196 176.870 0.141 0.000 1.228 236 L CA 0.359 55.295 54.840 0.161 0.000 0.850 236 L CB -0.092 42.022 42.059 0.092 0.000 1.110 236 L HN 0.817 nan 8.230 nan 0.000 0.496 237 D N 2.577 123.074 120.400 0.163 0.000 2.968 237 D HA -0.341 4.299 4.640 -0.000 0.000 0.215 237 D C 0.959 177.302 176.300 0.072 0.000 1.086 237 D CA 2.868 56.945 54.000 0.128 0.000 0.891 237 D CB 0.019 40.906 40.800 0.143 0.000 1.019 237 D HN 0.862 nan 8.370 nan 0.000 0.494 238 N N -0.787 117.933 118.700 0.034 0.000 2.184 238 N HA 0.110 4.850 4.740 -0.000 0.000 0.206 238 N C -0.872 174.590 175.510 -0.080 0.000 1.151 238 N CA -0.159 52.880 53.050 -0.019 0.000 0.878 238 N CB 0.982 39.460 38.487 -0.016 0.000 1.014 238 N HN 0.063 nan 8.380 nan 0.000 0.512 239 D N 0.273 120.622 120.400 -0.086 0.000 2.476 239 D HA 0.304 4.944 4.640 -0.000 0.000 0.251 239 D C -0.173 175.972 176.300 -0.258 0.000 1.291 239 D CA -0.594 53.313 54.000 -0.156 0.000 0.939 239 D CB 1.312 42.052 40.800 -0.100 0.000 1.221 239 D HN 0.066 nan 8.370 nan 0.000 0.567 240 A N 2.479 125.014 122.820 -0.475 0.000 2.235 240 A HA 0.013 4.333 4.320 -0.000 0.000 0.208 240 A C 1.714 178.884 177.584 -0.690 0.000 1.172 240 A CA 0.910 52.344 52.037 -1.006 0.000 0.786 240 A CB -0.289 17.925 19.000 -1.311 0.000 0.804 240 A HN 0.478 nan 8.150 nan 0.000 0.479 241 S N -1.030 114.459 115.700 -0.352 0.000 2.527 241 S HA 0.167 4.637 4.470 -0.000 0.000 0.222 241 S C 0.554 175.076 174.600 -0.130 0.000 0.985 241 S CA 0.163 58.239 58.200 -0.206 0.000 0.921 241 S CB -0.007 63.113 63.200 -0.133 0.000 0.772 241 S HN 0.481 nan 8.310 nan 0.000 0.529 242 K N -0.463 119.849 120.400 -0.147 0.000 2.482 242 K HA 0.607 4.927 4.320 -0.000 0.000 0.257 242 K C -1.827 174.764 176.600 -0.015 0.000 0.969 242 K CA -0.698 55.584 56.287 -0.009 0.000 0.842 242 K CB 1.696 34.204 32.500 0.012 0.000 1.359 242 K HN 0.147 nan 8.250 nan 0.000 0.441 243 Y N 0.707 121.108 120.300 0.169 0.000 2.524 243 Y HA 0.519 5.069 4.550 -0.000 0.000 0.344 243 Y C -0.253 175.742 175.900 0.157 0.000 1.012 243 Y CA -1.226 56.970 58.100 0.159 0.000 1.068 243 Y CB 1.468 39.985 38.460 0.096 0.000 1.249 243 Y HN 0.157 nan 8.280 nan 0.000 0.468 244 I N 3.519 124.244 120.570 0.259 0.000 2.509 244 I HA 0.316 4.486 4.170 -0.000 0.000 0.293 244 I C -1.132 174.954 176.117 -0.053 0.000 1.020 244 I CA -0.928 60.413 61.300 0.068 0.000 1.088 244 I CB 1.679 39.605 38.000 -0.124 0.000 1.267 244 I HN 0.425 nan 8.210 nan 0.000 0.430 245 L N 6.890 128.044 121.223 -0.115 0.000 2.295 245 L HA 0.370 4.710 4.340 -0.000 0.000 0.281 245 L C -0.746 176.194 176.870 0.117 0.000 1.018 245 L CA -0.256 54.572 54.840 -0.020 0.000 0.841 245 L CB 0.615 42.525 42.059 -0.247 0.000 1.218 245 L HN 0.276 nan 8.230 nan 0.000 0.424 246 Y N 1.968 122.452 120.300 0.307 0.000 2.313 246 Y HA 0.259 4.809 4.550 0.000 0.000 0.332 246 Y C 0.920 176.918 175.900 0.164 0.000 1.071 246 Y CA -0.321 57.902 58.100 0.206 0.000 1.169 246 Y CB 0.742 39.262 38.460 0.100 0.000 1.192 246 Y HN 0.502 nan 8.280 nan 0.000 0.487 247 N N 3.039 121.775 118.700 0.060 0.000 2.488 247 N HA 0.012 4.752 4.740 -0.000 0.000 0.274 247 N C 0.506 175.952 175.510 -0.106 0.000 1.111 247 N CA -0.051 52.771 53.050 -0.380 0.000 0.974 247 N CB 1.010 39.134 38.487 -0.604 0.000 1.089 247 N HN 0.718 nan 8.380 nan 0.000 0.465 248 L N 3.511 124.656 121.223 -0.131 0.000 2.191 248 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 248 L C 2.458 179.337 176.870 0.014 0.000 1.103 248 L CA 1.280 56.111 54.840 -0.015 0.000 0.769 248 L CB -0.500 41.559 42.059 -0.000 0.000 0.908 248 L HN 0.660 nan 8.230 nan 0.000 0.438 249 Q N -0.254 119.572 119.800 0.043 0.000 2.170 249 Q HA -0.139 4.201 4.340 -0.000 0.000 0.203 249 Q C 0.066 176.158 176.000 0.153 0.000 0.976 249 Q CA 1.440 57.290 55.803 0.077 0.000 0.858 249 Q CB 0.107 28.873 28.738 0.047 0.000 0.907 249 Q HN 0.323 nan 8.270 nan 0.000 0.433 250 D N -1.403 119.145 120.400 0.247 0.000 2.319 250 D HA 0.075 4.715 4.640 -0.000 0.000 0.237 250 D C -0.248 176.133 176.300 0.135 0.000 1.353 250 D CA 0.332 54.456 54.000 0.206 0.000 0.992 250 D CB 0.688 41.691 40.800 0.338 0.000 1.368 250 D HN 0.176 nan 8.370 nan 0.000 0.564 251 T N 0.117 114.726 114.554 0.091 0.000 3.163 251 T HA -0.023 4.327 4.350 -0.000 0.000 0.260 251 T C 0.966 175.739 174.700 0.123 0.000 1.156 251 T CA 0.494 62.648 62.100 0.090 0.000 1.072 251 T CB -0.446 68.417 68.868 -0.009 0.000 0.937 251 T HN 0.281 nan 8.240 nan 0.000 0.528 252 N N 0.436 119.208 118.700 0.120 0.000 2.398 252 N HA 0.140 4.880 4.740 -0.000 0.000 0.188 252 N C 0.221 175.845 175.510 0.189 0.000 1.122 252 N CA -0.044 53.099 53.050 0.155 0.000 0.866 252 N CB 0.250 38.810 38.487 0.121 0.000 0.970 252 N HN 0.339 nan 8.380 nan 0.000 0.462 253 R N 0.716 121.298 120.500 0.136 0.000 2.686 253 R HA 0.522 4.862 4.340 -0.000 0.000 0.286 253 R C -0.936 175.362 176.300 -0.003 0.000 0.969 253 R CA -0.806 55.293 56.100 -0.001 0.000 0.898 253 R CB 2.243 32.416 30.300 -0.210 0.000 1.183 253 R HN -0.124 nan 8.270 nan 0.000 0.456 254 V N -0.144 119.754 119.914 -0.027 0.000 3.102 254 V HA 0.528 4.648 4.120 -0.000 0.000 0.312 254 V C -0.599 175.527 176.094 0.052 0.000 1.135 254 V CA -1.335 60.977 62.300 0.021 0.000 1.022 254 V CB 1.759 33.555 31.823 -0.046 0.000 1.056 254 V HN 0.572 nan 8.190 nan 0.000 0.436 255 L N 3.031 124.331 121.223 0.128 0.000 2.534 255 L HA 0.488 4.828 4.340 -0.000 0.000 0.271 255 L C -0.257 176.790 176.870 0.295 0.000 1.178 255 L CA 1.287 56.164 54.840 0.061 0.000 0.907 255 L CB -0.284 41.550 42.059 -0.374 0.000 1.164 255 L HN 1.049 nan 8.230 nan 0.000 0.482 256 D N 4.039 124.606 120.400 0.279 0.000 2.970 256 D HA 0.181 4.821 4.640 -0.000 0.000 0.230 256 D C -1.355 175.100 176.300 0.259 0.000 1.276 256 D CA -0.406 53.727 54.000 0.222 0.000 0.910 256 D CB 1.986 42.844 40.800 0.097 0.000 1.590 256 D HN 0.197 nan 8.370 nan 0.000 0.551 257 V N 4.875 124.895 119.914 0.177 0.000 2.455 257 V HA 0.051 4.171 4.120 -0.000 0.000 0.273 257 V C 0.162 176.368 176.094 0.185 0.000 1.045 257 V CA -0.556 61.839 62.300 0.157 0.000 0.976 257 V CB 0.205 32.019 31.823 -0.016 0.000 0.993 257 V HN 0.495 nan 8.190 nan 0.000 0.475 258 Y N 6.980 127.349 120.300 0.114 0.000 2.729 258 Y HA -0.023 4.527 4.550 -0.000 0.000 0.331 258 Y C 1.291 177.235 175.900 0.073 0.000 1.208 258 Y CA 0.031 58.201 58.100 0.117 0.000 1.521 258 Y CB -0.399 38.168 38.460 0.178 0.000 1.233 258 Y HN 0.864 nan 8.280 nan 0.000 0.539 259 N N 2.935 121.473 118.700 -0.270 0.000 2.708 259 N HA -0.271 4.469 4.740 -0.000 0.000 0.249 259 N C 0.284 175.698 175.510 -0.160 0.000 1.097 259 N CA 1.452 54.316 53.050 -0.310 0.000 0.710 259 N CB -1.502 36.662 38.487 -0.538 0.000 1.032 259 N HN 0.664 nan 8.380 nan 0.000 0.551 260 S N -2.688 112.960 115.700 -0.087 0.000 3.350 260 S HA -0.267 4.203 4.470 -0.000 0.000 0.341 260 S C 0.345 174.892 174.600 -0.088 0.000 1.176 260 S CA 1.058 59.205 58.200 -0.088 0.000 0.972 260 S CB -0.563 62.577 63.200 -0.099 0.000 0.953 260 S HN 0.453 nan 8.310 nan 0.000 0.565 261 Q N 0.849 120.607 119.800 -0.070 0.000 2.340 261 Q HA 0.388 4.728 4.340 -0.000 0.000 0.249 261 Q C 1.439 177.406 176.000 -0.054 0.000 0.957 261 Q CA 0.829 56.598 55.803 -0.057 0.000 0.882 261 Q CB 0.835 29.553 28.738 -0.033 0.000 1.235 261 Q HN 0.633 nan 8.270 nan 0.000 0.439 262 T N -3.468 111.045 114.554 -0.067 0.000 3.091 262 T HA 0.465 4.814 4.350 -0.000 0.000 0.277 262 T C 0.572 175.216 174.700 -0.094 0.000 0.996 262 T CA 0.014 62.067 62.100 -0.079 0.000 0.897 262 T CB 0.384 69.199 68.868 -0.089 0.000 1.109 262 T HN 0.550 nan 8.240 nan 0.000 0.534 263 A N 1.890 124.651 122.820 -0.097 0.000 2.483 263 A HA 0.321 4.641 4.320 -0.000 0.000 0.238 263 A C 0.311 177.753 177.584 -0.236 0.000 1.070 263 A CA -0.341 51.609 52.037 -0.146 0.000 0.770 263 A CB -0.489 18.441 19.000 -0.117 0.000 1.008 263 A HN 0.658 nan 8.150 nan 0.000 0.497 264 N N 0.410 118.865 118.700 -0.408 0.000 2.359 264 N HA 0.313 5.053 4.740 -0.000 0.000 0.261 264 N C 1.125 176.197 175.510 -0.730 0.000 1.267 264 N CA 1.164 53.705 53.050 -0.847 0.000 0.864 264 N CB 0.236 37.867 38.487 -1.426 0.000 1.063 264 N HN 1.135 nan 8.380 nan 0.000 0.474 265 G N 1.262 109.788 108.800 -0.457 0.000 2.176 265 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.232 265 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.232 265 G C 0.248 175.050 174.900 -0.163 0.000 0.986 265 G CA -0.238 44.791 45.100 -0.119 0.000 0.643 265 G HN 0.561 nan 8.290 nan 0.000 0.522 266 T N 1.616 116.105 114.554 -0.109 0.000 2.928 266 T HA 0.360 4.710 4.350 -0.000 0.000 0.305 266 T C 0.481 175.160 174.700 -0.034 0.000 1.035 266 T CA 0.244 62.325 62.100 -0.031 0.000 1.145 266 T CB 0.414 69.297 68.868 0.026 0.000 0.963 266 T HN 0.398 nan 8.240 nan 0.000 0.545 267 H N 0.773 119.897 119.070 0.089 0.000 2.732 267 H HA 0.344 4.900 4.556 -0.000 0.000 0.351 267 H C 0.083 175.485 175.328 0.123 0.000 1.090 267 H CA -0.066 55.984 56.048 0.002 0.000 1.431 267 H CB 0.510 30.196 29.762 -0.127 0.000 1.447 267 H HN 0.248 nan 8.280 nan 0.000 0.582 268 V N 5.486 125.536 119.914 0.228 0.000 2.435 268 V HA 0.329 4.449 4.120 -0.000 0.000 0.290 268 V C 0.345 176.588 176.094 0.248 0.000 1.030 268 V CA -0.457 61.990 62.300 0.244 0.000 0.881 268 V CB 0.823 32.765 31.823 0.198 0.000 0.983 268 V HN 0.635 nan 8.190 nan 0.000 0.445 269 I N 1.925 122.633 120.570 0.230 0.000 3.322 269 I HA 0.828 4.998 4.170 -0.000 0.000 0.313 269 I C -1.148 175.002 176.117 0.054 0.000 1.129 269 I CA -1.151 60.263 61.300 0.190 0.000 0.963 269 I CB 2.502 40.609 38.000 0.178 0.000 1.273 269 I HN 0.234 nan 8.210 nan 0.000 0.473 270 V N 2.086 121.920 119.914 -0.133 0.000 2.384 270 V HA 0.572 4.692 4.120 -0.000 0.000 0.287 270 V C -0.997 174.893 176.094 -0.340 0.000 1.020 270 V CA 0.048 62.098 62.300 -0.416 0.000 0.850 270 V CB 1.054 32.116 31.823 -1.269 0.000 0.987 270 V HN 0.787 nan 8.190 nan 0.000 0.436 271 D N 1.921 122.206 120.400 -0.193 0.000 2.583 271 D HA 0.389 5.029 4.640 -0.000 0.000 0.248 271 D C -0.370 175.892 176.300 -0.063 0.000 1.209 271 D CA -0.385 53.566 54.000 -0.081 0.000 0.848 271 D CB 2.425 43.235 40.800 0.016 0.000 1.431 271 D HN 0.397 nan 8.370 nan 0.000 0.436 272 S N 1.169 116.869 115.700 -0.000 0.000 2.626 272 S HA -0.057 4.413 4.470 -0.000 0.000 0.303 272 S C -0.169 174.423 174.600 -0.014 0.000 1.256 272 S CA 0.001 58.228 58.200 0.045 0.000 1.069 272 S CB -0.364 62.887 63.200 0.085 0.000 0.807 272 S HN 0.363 nan 8.310 nan 0.000 0.500 273 Y N 5.036 125.312 120.300 -0.040 0.000 2.620 273 Y HA 0.011 4.561 4.550 -0.000 0.000 0.330 273 Y C 1.644 177.512 175.900 -0.053 0.000 1.186 273 Y CA 0.602 58.655 58.100 -0.077 0.000 1.467 273 Y CB 0.268 38.794 38.460 0.109 0.000 1.262 273 Y HN 0.859 nan 8.280 nan 0.000 0.550 274 H N 2.487 121.062 119.070 -0.824 0.000 3.734 274 H HA 0.280 4.836 4.556 -0.000 0.000 0.253 274 H C 1.351 176.116 175.328 -0.939 0.000 1.072 274 H CA 0.292 55.919 56.048 -0.702 0.000 1.147 274 H CB 0.449 30.044 29.762 -0.277 0.000 1.495 274 H HN 0.891 nan 8.280 nan 0.000 0.588 275 G N 1.615 109.853 108.800 -0.937 0.000 2.176 275 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.253 275 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.253 275 G C -0.260 174.619 174.900 -0.035 0.000 0.979 275 G CA 0.191 45.061 45.100 -0.383 0.000 0.641 275 G HN 0.568 nan 8.290 nan 0.000 0.530 276 N N 0.135 118.947 118.700 0.185 0.000 2.288 276 N HA 0.346 5.086 4.740 -0.000 0.000 0.237 276 N C 1.974 177.474 175.510 -0.017 0.000 1.311 276 N CA 0.488 53.557 53.050 0.032 0.000 0.909 276 N CB 0.288 38.706 38.487 -0.116 0.000 1.167 276 N HN 0.335 nan 8.380 nan 0.000 0.476 277 T N -2.066 112.443 114.554 -0.075 0.000 2.803 277 T HA -0.227 4.123 4.350 -0.000 0.000 0.269 277 T C 1.187 175.771 174.700 -0.194 0.000 1.052 277 T CA 1.680 63.703 62.100 -0.127 0.000 1.136 277 T CB -0.759 68.031 68.868 -0.131 0.000 0.864 277 T HN 0.743 nan 8.240 nan 0.000 0.467 278 N N 0.770 119.385 118.700 -0.140 0.000 2.573 278 N HA -0.088 4.652 4.740 -0.000 0.000 0.187 278 N C 1.751 177.136 175.510 -0.208 0.000 1.107 278 N CA 0.364 53.306 53.050 -0.179 0.000 0.918 278 N CB -0.290 38.155 38.487 -0.071 0.000 0.966 278 N HN 0.495 nan 8.380 nan 0.000 0.448 279 Q N -0.447 119.260 119.800 -0.155 0.000 2.247 279 Q HA 0.154 4.494 4.340 -0.000 0.000 0.211 279 Q C -0.383 175.534 176.000 -0.139 0.000 0.861 279 Q CA -0.038 55.704 55.803 -0.100 0.000 0.949 279 Q CB 0.599 29.265 28.738 -0.120 0.000 1.115 279 Q HN 0.542 nan 8.270 nan 0.000 0.507 280 Q N -0.146 119.458 119.800 -0.326 0.000 2.241 280 Q HA 0.310 4.650 4.340 -0.000 0.000 0.254 280 Q C -1.342 174.355 176.000 -0.504 0.000 0.917 280 Q CA -0.166 55.499 55.803 -0.230 0.000 0.919 280 Q CB 1.110 29.768 28.738 -0.133 0.000 1.237 280 Q HN 0.094 nan 8.270 nan 0.000 0.434 281 W N 2.336 123.646 121.300 0.017 0.000 2.819 281 W HA 0.538 5.198 4.660 -0.000 0.000 0.337 281 W C -0.648 175.927 176.519 0.093 0.000 1.077 281 W CA -0.490 56.851 57.345 -0.007 0.000 1.226 281 W CB 1.188 30.603 29.460 -0.076 0.000 1.419 281 W HN 0.378 nan 8.180 nan 0.000 0.502 282 I N 4.501 125.220 120.570 0.248 0.000 2.330 282 I HA 0.356 4.526 4.170 -0.000 0.000 0.289 282 I C -0.401 175.820 176.117 0.174 0.000 1.001 282 I CA -0.767 60.663 61.300 0.217 0.000 1.193 282 I CB 0.646 38.690 38.000 0.074 0.000 1.345 282 I HN 0.223 nan 8.210 nan 0.000 0.461 283 I N 6.618 127.276 120.570 0.147 0.000 2.362 283 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 283 I C -0.479 175.661 176.117 0.038 0.000 0.994 283 I CA -0.354 60.910 61.300 -0.061 0.000 1.158 283 I CB 1.287 38.962 38.000 -0.541 0.000 1.315 283 I HN 0.589 nan 8.210 nan 0.000 0.451 284 N N 5.333 124.056 118.700 0.038 0.000 2.265 284 N HA 0.573 5.313 4.740 -0.000 0.000 0.300 284 N C -1.012 174.504 175.510 0.010 0.000 1.148 284 N CA -0.808 52.262 53.050 0.033 0.000 0.772 284 N CB 2.127 40.627 38.487 0.022 0.000 1.434 284 N HN 0.379 nan 8.380 nan 0.000 0.481 285 L N 1.891 123.121 121.223 0.011 0.000 2.461 285 L HA 0.201 4.541 4.340 -0.000 0.000 0.272 285 L C 0.522 177.389 176.870 -0.005 0.000 1.197 285 L CA -0.496 54.350 54.840 0.010 0.000 0.836 285 L CB 0.050 42.118 42.059 0.015 0.000 1.105 285 L HN 0.420 nan 8.230 nan 0.000 0.477 286 I N 0.000 120.580 120.570 0.016 0.000 2.984 286 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 286 I CA 0.000 61.317 61.300 0.028 0.000 1.566 286 I CB 0.000 38.044 38.000 0.074 0.000 1.214 286 I HN 0.000 nan 8.210 nan 0.000 0.494