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 3lou_1_A DATA FIRST_RESID 7 DATA SEQUENCE PHQFVLTLSC PSAAGQVAAV VGLLDRHRCY VDELTVFDDD LSARFFVRCV DATA SEQUENCE FHATDXXXXL RVDALRREFE PIAERFRXQW AIHDVAARPK VLIXVSKLEH DATA SEQUENCE CLADLLFRWK XGELKXDIVG IVSNHPDFAP LAAQHGLPFR HFPITADTKA DATA SEQUENCE QQEAQWLDVF ETSGAELVIL ARYXQVLSPE ASARLANRAI NIHHSFLPGF DATA SEQUENCE KGAKPYHQAH ARGVKLIGAT AHFVTDDLDE GPIIEQVVER VDHSYRPEQL DATA SEQUENCE LAVGRDVECI TLARAVKAFI ERRVFLNGDR TVVFQ 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 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.250 177.300 -0.083 0.000 1.155 7 P CA 0.000 62.970 63.100 -0.216 0.000 0.800 7 P CB 0.000 31.336 31.700 -0.607 0.000 0.726 8 H N 1.931 120.963 119.070 -0.063 0.000 2.944 8 H HA 0.290 4.233 4.556 -1.021 0.000 0.278 8 H C -0.189 175.088 175.328 -0.084 0.000 1.083 8 H CA -0.042 55.956 56.048 -0.083 0.000 1.479 8 H CB 0.853 30.608 29.762 -0.013 0.000 1.486 8 H HN 0.223 nan 8.280 nan 0.000 0.493 9 Q N 3.938 123.764 119.800 0.043 0.000 2.214 9 Q HA 0.302 4.030 4.340 -1.020 0.000 0.251 9 Q C -1.064 174.638 176.000 -0.496 0.000 0.936 9 Q CA -0.598 55.152 55.803 -0.089 0.000 0.894 9 Q CB 1.831 30.538 28.738 -0.052 0.000 1.252 9 Q HN 0.509 nan 8.270 nan 0.000 0.448 10 F N -0.057 119.642 119.950 -0.419 0.000 2.593 10 F HA 0.598 4.513 4.527 -1.021 0.000 0.320 10 F C -0.503 174.957 175.800 -0.568 0.000 1.060 10 F CA -1.057 56.624 58.000 -0.532 0.000 0.940 10 F CB 1.724 40.271 39.000 -0.754 0.000 1.268 10 F HN 0.216 nan 8.300 nan 0.000 0.475 11 V N 4.044 123.936 119.914 -0.037 0.000 2.531 11 V HA 0.621 4.128 4.120 -1.020 0.000 0.301 11 V C -1.715 174.509 176.094 0.217 0.000 1.034 11 V CA -0.746 61.607 62.300 0.088 0.000 0.865 11 V CB 1.676 33.563 31.823 0.106 0.000 0.995 11 V HN 0.635 nan 8.190 nan 0.000 0.424 12 L N 7.362 128.777 121.223 0.320 0.000 2.275 12 L HA 0.851 4.578 4.340 -1.020 0.000 0.288 12 L C 0.191 177.229 176.870 0.280 0.000 1.046 12 L CA 0.648 55.652 54.840 0.273 0.000 0.805 12 L CB 1.623 43.830 42.059 0.246 0.000 1.193 12 L HN 0.907 nan 8.230 nan 0.000 0.426 13 T N 3.615 118.335 114.554 0.277 0.000 2.887 13 T HA 0.810 4.548 4.350 -1.020 0.000 0.288 13 T C -0.655 174.301 174.700 0.427 0.000 1.021 13 T CA -0.753 61.576 62.100 0.383 0.000 1.000 13 T CB 1.633 70.626 68.868 0.208 0.000 1.034 13 T HN 0.823 nan 8.240 nan 0.000 0.467 14 L N -0.922 120.637 121.223 0.560 0.000 2.582 14 L HA 0.932 4.660 4.340 -1.020 0.000 0.257 14 L C -0.800 176.308 176.870 0.397 0.000 0.974 14 L CA -0.883 54.243 54.840 0.477 0.000 0.851 14 L CB 1.970 44.283 42.059 0.423 0.000 1.424 14 L HN 0.952 nan 8.230 nan 0.000 0.412 15 S N 0.577 116.442 115.700 0.274 0.000 2.549 15 S HA 0.996 4.854 4.470 -1.020 0.000 0.280 15 S C -0.381 174.228 174.600 0.015 0.000 1.109 15 S CA -0.092 58.092 58.200 -0.027 0.000 0.905 15 S CB 1.269 64.459 63.200 -0.015 0.000 1.081 15 S HN 2.060 nan 8.310 nan 0.000 0.477 16 C N -1.416 117.834 119.300 -0.083 0.000 3.275 16 C HA 0.803 4.650 4.460 -1.020 0.000 0.340 16 C C -3.334 171.651 174.990 -0.008 0.000 1.366 16 C CA -1.710 57.325 59.018 0.029 0.000 1.227 16 C CB 0.336 28.151 27.740 0.125 0.000 1.512 16 C HN 0.644 nan 8.230 nan 0.000 0.461 17 P HA 0.262 nan 4.420 nan 0.000 0.271 17 P C -0.156 177.146 177.300 0.003 0.000 1.218 17 P CA 0.507 63.614 63.100 0.012 0.000 0.780 17 P CB 0.550 32.265 31.700 0.025 0.000 0.901 18 S N 1.227 116.917 115.700 -0.016 0.000 2.552 18 S HA 0.425 4.282 4.470 -1.020 0.000 0.289 18 S C 0.267 174.818 174.600 -0.083 0.000 1.304 18 S CA 0.580 58.742 58.200 -0.064 0.000 1.063 18 S CB -0.440 62.733 63.200 -0.044 0.000 0.848 18 S HN 0.676 nan 8.310 nan 0.000 0.499 19 A N 1.586 124.306 122.820 -0.168 0.000 2.522 19 A HA 0.720 4.428 4.320 -1.020 0.000 0.291 19 A C -1.076 176.389 177.584 -0.198 0.000 1.039 19 A CA -0.354 51.621 52.037 -0.103 0.000 0.643 19 A CB 0.148 19.166 19.000 0.030 0.000 1.310 19 A HN 1.135 nan 8.150 nan 0.000 0.436 20 A N -0.713 122.049 122.820 -0.097 0.000 2.304 20 A HA 0.735 4.443 4.320 -1.020 0.000 0.301 20 A C 1.297 178.843 177.584 -0.062 0.000 1.132 20 A CA 0.456 52.417 52.037 -0.128 0.000 0.819 20 A CB 0.290 19.249 19.000 -0.069 0.000 1.094 20 A HN 2.885 nan 8.150 nan 0.000 0.492 21 G N 0.712 109.408 108.800 -0.173 0.000 2.176 21 G HA2 -0.245 3.103 3.960 -1.020 0.000 0.232 21 G HA3 -0.245 3.103 3.960 -1.020 0.000 0.232 21 G C 0.652 175.322 174.900 -0.384 0.000 0.986 21 G CA 0.731 45.760 45.100 -0.118 0.000 0.643 21 G HN 0.703 nan 8.290 nan 0.000 0.522 22 Q N 0.235 119.578 119.800 -0.762 0.000 2.050 22 Q HA 0.140 3.868 4.340 -1.020 0.000 0.202 22 Q C 2.801 178.582 176.000 -0.366 0.000 0.980 22 Q CA 2.051 57.296 55.803 -0.930 0.000 0.840 22 Q CB -0.396 27.915 28.738 -0.712 0.000 0.898 22 Q HN 0.526 nan 8.270 nan 0.000 0.424 23 V N 0.834 120.646 119.914 -0.171 0.000 2.343 23 V HA -0.274 3.234 4.120 -1.020 0.000 0.247 23 V C 2.174 178.230 176.094 -0.063 0.000 1.051 23 V CA 1.689 63.970 62.300 -0.032 0.000 1.036 23 V CB -1.116 30.737 31.823 0.051 0.000 0.654 23 V HN 0.452 nan 8.190 nan 0.000 0.451 24 A N 0.054 122.823 122.820 -0.086 0.000 1.908 24 A HA -0.190 3.518 4.320 -1.020 0.000 0.218 24 A C 2.422 179.970 177.584 -0.060 0.000 1.181 24 A CA 2.336 54.336 52.037 -0.061 0.000 0.627 24 A CB -0.792 18.178 19.000 -0.050 0.000 0.818 24 A HN 0.583 nan 8.150 nan 0.000 0.445 25 A N -0.760 122.010 122.820 -0.083 0.000 1.898 25 A HA 0.049 3.757 4.320 -1.020 0.000 0.216 25 A C 2.253 179.784 177.584 -0.089 0.000 1.181 25 A CA 1.723 53.721 52.037 -0.066 0.000 0.620 25 A CB -0.910 18.081 19.000 -0.015 0.000 0.819 25 A HN 0.380 nan 8.150 nan 0.000 0.442 26 V N 0.416 120.278 119.914 -0.088 0.000 2.261 26 V HA -0.243 3.265 4.120 -1.020 0.000 0.246 26 V C 2.735 178.808 176.094 -0.035 0.000 1.047 26 V CA 2.104 64.397 62.300 -0.013 0.000 1.015 26 V CB -0.978 30.884 31.823 0.065 0.000 0.642 26 V HN 0.586 nan 8.190 nan 0.000 0.446 27 V N -0.448 119.441 119.914 -0.042 0.000 2.759 27 V HA 0.001 3.509 4.120 -1.020 0.000 0.256 27 V C 2.341 178.401 176.094 -0.058 0.000 1.080 27 V CA 1.955 64.221 62.300 -0.057 0.000 1.101 27 V CB -1.586 30.208 31.823 -0.047 0.000 0.698 27 V HN 0.420 nan 8.190 nan 0.000 0.477 28 G N 0.582 109.354 108.800 -0.047 0.000 2.402 28 G HA2 -0.201 3.147 3.960 -1.020 0.000 0.216 28 G HA3 -0.201 3.147 3.960 -1.020 0.000 0.216 28 G C 1.458 176.344 174.900 -0.024 0.000 1.162 28 G CA 1.130 46.208 45.100 -0.037 0.000 0.777 28 G HN 0.505 nan 8.290 nan 0.000 0.539 29 L N 0.486 121.694 121.223 -0.025 0.000 2.056 29 L HA 0.148 3.876 4.340 -1.020 0.000 0.207 29 L C 2.670 179.557 176.870 0.028 0.000 1.078 29 L CA 1.318 56.169 54.840 0.017 0.000 0.749 29 L CB -0.448 41.601 42.059 -0.017 0.000 0.901 29 L HN 0.191 nan 8.230 nan 0.000 0.433 30 L N -0.719 120.451 121.223 -0.088 0.000 2.046 30 L HA -0.201 3.527 4.340 -1.020 0.000 0.208 30 L C 2.257 179.088 176.870 -0.065 0.000 1.077 30 L CA 1.305 56.039 54.840 -0.176 0.000 0.747 30 L CB -0.852 41.022 42.059 -0.309 0.000 0.896 30 L HN 0.268 nan 8.230 nan 0.000 0.432 31 D N 0.026 120.395 120.400 -0.051 0.000 2.149 31 D HA -0.156 3.872 4.640 -1.020 0.000 0.198 31 D C 2.333 178.625 176.300 -0.014 0.000 0.990 31 D CA 1.061 55.041 54.000 -0.034 0.000 0.839 31 D CB -0.111 40.664 40.800 -0.041 0.000 0.948 31 D HN 0.220 nan 8.370 nan 0.000 0.460 32 R N -0.281 120.219 120.500 0.000 0.000 2.148 32 R HA -0.047 3.681 4.340 -1.020 0.000 0.227 32 R C 1.386 177.618 176.300 -0.113 0.000 1.103 32 R CA 0.734 56.809 56.100 -0.041 0.000 0.983 32 R CB -0.117 30.163 30.300 -0.033 0.000 0.874 32 R HN 0.434 nan 8.270 nan 0.000 0.451 33 H N 0.280 119.318 119.070 -0.053 0.000 2.517 33 H HA 0.217 4.161 4.556 -1.020 0.000 0.282 33 H C -0.076 175.242 175.328 -0.016 0.000 1.023 33 H CA -0.127 55.899 56.048 -0.038 0.000 1.169 33 H CB 0.339 30.066 29.762 -0.059 0.000 1.454 33 H HN 0.058 nan 8.280 nan 0.000 0.556 34 R N -0.031 120.498 120.500 0.049 0.000 3.333 34 R HA -0.144 3.584 4.340 -1.020 0.000 0.256 34 R C -0.725 175.619 176.300 0.074 0.000 1.010 34 R CA 0.230 56.357 56.100 0.046 0.000 0.680 34 R CB -2.523 27.802 30.300 0.042 0.000 1.102 34 R HN 0.194 nan 8.270 nan 0.000 0.440 35 C N 0.752 120.084 119.300 0.052 0.000 2.350 35 C HA 0.325 4.173 4.460 -1.020 0.000 0.348 35 C C 0.487 175.496 174.990 0.031 0.000 1.260 35 C CA -0.891 58.170 59.018 0.072 0.000 1.966 35 C CB 0.289 28.040 27.740 0.017 0.000 2.380 35 C HN 0.391 nan 8.230 nan 0.000 0.535 36 Y N 2.675 122.860 120.300 -0.191 0.000 2.336 36 Y HA 0.446 4.384 4.550 -1.020 0.000 0.335 36 Y C 0.029 175.870 175.900 -0.099 0.000 1.046 36 Y CA -0.099 57.863 58.100 -0.231 0.000 1.198 36 Y CB 0.720 38.878 38.460 -0.504 0.000 1.182 36 Y HN 0.505 nan 8.280 nan 0.000 0.502 37 V N 7.727 127.595 119.914 -0.077 0.000 2.427 37 V HA 0.022 3.530 4.120 -1.020 0.000 0.268 37 V C 0.350 176.576 176.094 0.220 0.000 1.046 37 V CA 0.040 62.396 62.300 0.094 0.000 0.970 37 V CB 0.801 32.618 31.823 -0.010 0.000 1.001 37 V HN 0.860 nan 8.190 nan 0.000 0.476 38 D N 3.230 123.852 120.400 0.370 0.000 2.216 38 D HA 0.076 4.104 4.640 -1.020 0.000 0.208 38 D C 0.549 176.976 176.300 0.212 0.000 0.960 38 D CA 0.838 55.059 54.000 0.368 0.000 0.861 38 D CB 0.781 41.790 40.800 0.347 0.000 0.985 38 D HN 0.662 nan 8.370 nan 0.000 0.493 39 E N -0.189 120.115 120.200 0.173 0.000 2.314 39 E HA 0.539 4.277 4.350 -1.020 0.000 0.272 39 E C -1.401 175.253 176.600 0.091 0.000 0.884 39 E CA -0.754 55.711 56.400 0.108 0.000 0.753 39 E CB 2.960 32.718 29.700 0.096 0.000 1.213 39 E HN -0.162 nan 8.360 nan 0.000 0.432 40 L N 1.883 123.124 121.223 0.030 0.000 2.528 40 L HA 0.447 4.175 4.340 -1.020 0.000 0.267 40 L C -1.446 175.369 176.870 -0.093 0.000 0.961 40 L CA -0.066 54.775 54.840 0.001 0.000 0.866 40 L CB 2.040 44.107 42.059 0.013 0.000 1.248 40 L HN 0.649 nan 8.230 nan 0.000 0.404 41 T N 2.057 116.491 114.554 -0.200 0.000 2.848 41 T HA 0.870 4.607 4.350 -1.020 0.000 0.285 41 T C -0.841 173.586 174.700 -0.455 0.000 0.995 41 T CA -0.707 61.112 62.100 -0.468 0.000 0.970 41 T CB 1.605 69.889 68.868 -0.974 0.000 0.976 41 T HN 0.357 nan 8.240 nan 0.000 0.441 42 V N 3.646 123.389 119.914 -0.286 0.000 2.735 42 V HA 0.824 4.332 4.120 -1.020 0.000 0.310 42 V C -1.312 174.822 176.094 0.066 0.000 1.061 42 V CA -0.926 61.290 62.300 -0.139 0.000 0.913 42 V CB 1.911 33.723 31.823 -0.018 0.000 1.005 42 V HN 0.964 nan 8.190 nan 0.000 0.428 43 F N 2.989 122.879 119.950 -0.100 0.000 2.607 43 F HA 0.610 4.525 4.527 -1.021 0.000 0.322 43 F C -1.085 174.788 175.800 0.121 0.000 1.176 43 F CA -0.917 57.131 58.000 0.080 0.000 0.977 43 F CB 1.773 40.894 39.000 0.202 0.000 1.242 43 F HN 0.589 nan 8.300 nan 0.000 0.465 44 D N 3.948 124.102 120.400 -0.410 0.000 2.256 44 D HA 0.203 4.231 4.640 -1.020 0.000 0.240 44 D C -1.419 174.402 176.300 -0.798 0.000 1.062 44 D CA -0.148 53.687 54.000 -0.276 0.000 0.832 44 D CB 1.023 41.886 40.800 0.104 0.000 1.135 44 D HN 0.446 nan 8.370 nan 0.000 0.484 45 D N 2.987 123.062 120.400 -0.541 0.000 2.443 45 D HA 0.045 4.073 4.640 -1.020 0.000 0.221 45 D C 0.498 176.747 176.300 -0.084 0.000 1.097 45 D CA -0.405 53.401 54.000 -0.324 0.000 0.865 45 D CB 0.816 41.616 40.800 -0.001 0.000 1.034 45 D HN 0.519 nan 8.370 nan 0.000 0.511 46 D N 3.218 123.579 120.400 -0.065 0.000 2.348 46 D HA -0.129 3.899 4.640 -1.020 0.000 0.216 46 D C 1.727 178.036 176.300 0.015 0.000 0.970 46 D CA 0.169 54.159 54.000 -0.016 0.000 0.889 46 D CB 0.321 41.115 40.800 -0.010 0.000 0.912 46 D HN 0.420 nan 8.370 nan 0.000 0.524 47 L N 0.967 122.212 121.223 0.037 0.000 2.127 47 L HA -0.057 3.671 4.340 -1.020 0.000 0.203 47 L C 2.514 179.419 176.870 0.057 0.000 1.080 47 L CA 1.239 56.109 54.840 0.051 0.000 0.768 47 L CB -0.285 41.813 42.059 0.065 0.000 0.924 47 L HN 0.080 nan 8.230 nan 0.000 0.444 48 S N -0.424 115.322 115.700 0.076 0.000 2.548 48 S HA 0.278 4.136 4.470 -1.020 0.000 0.215 48 S C 1.206 175.845 174.600 0.066 0.000 0.976 48 S CA 0.211 58.464 58.200 0.087 0.000 0.908 48 S CB 0.380 63.662 63.200 0.137 0.000 0.781 48 S HN 0.344 nan 8.310 nan 0.000 0.519 49 A N 0.200 123.046 122.820 0.043 0.000 2.791 49 A HA -0.180 3.528 4.320 -1.020 0.000 0.292 49 A C 0.267 177.861 177.584 0.015 0.000 1.487 49 A CA 1.102 53.151 52.037 0.020 0.000 0.760 49 A CB -2.121 16.889 19.000 0.016 0.000 1.031 49 A HN 0.673 nan 8.150 nan 0.000 0.503 50 R N -1.343 119.170 120.500 0.022 0.000 2.686 50 R HA 0.825 4.553 4.340 -1.020 0.000 0.286 50 R C -0.981 175.240 176.300 -0.131 0.000 0.969 50 R CA -0.612 55.446 56.100 -0.070 0.000 0.898 50 R CB 0.865 31.153 30.300 -0.020 0.000 1.183 50 R HN 0.799 nan 8.270 nan 0.000 0.456 51 F N 4.145 123.784 119.950 -0.519 0.000 2.508 51 F HA 0.648 4.563 4.527 -1.020 0.000 0.325 51 F C -1.660 173.716 175.800 -0.706 0.000 1.090 51 F CA -0.977 56.777 58.000 -0.410 0.000 0.945 51 F CB 1.097 39.960 39.000 -0.229 0.000 1.156 51 F HN 0.441 nan 8.300 nan 0.000 0.463 52 F N 4.473 123.966 119.950 -0.763 0.000 2.556 52 F HA 0.722 4.637 4.527 -1.021 0.000 0.314 52 F C -1.021 174.411 175.800 -0.612 0.000 1.106 52 F CA -1.140 56.494 58.000 -0.611 0.000 0.911 52 F CB 2.054 40.677 39.000 -0.628 0.000 1.190 52 F HN 0.200 nan 8.300 nan 0.000 0.448 53 V N 2.791 122.622 119.914 -0.137 0.000 2.760 53 V HA 0.605 4.113 4.120 -1.020 0.000 0.309 53 V C -0.875 175.423 176.094 0.338 0.000 1.077 53 V CA -0.962 61.361 62.300 0.039 0.000 0.910 53 V CB 2.344 34.188 31.823 0.035 0.000 1.008 53 V HN 0.766 nan 8.190 nan 0.000 0.424 54 R N 2.698 123.396 120.500 0.331 0.000 2.513 54 R HA 0.762 4.490 4.340 -1.020 0.000 0.301 54 R C -1.635 174.795 176.300 0.216 0.000 0.968 54 R CA -0.248 56.093 56.100 0.401 0.000 0.872 54 R CB 1.648 32.291 30.300 0.571 0.000 1.177 54 R HN 0.810 nan 8.270 nan 0.000 0.444 55 C N 5.545 124.995 119.300 0.251 0.000 2.432 55 C HA 0.555 4.403 4.460 -1.020 0.000 0.334 55 C C -0.983 174.208 174.990 0.336 0.000 1.155 55 C CA -0.369 58.799 59.018 0.249 0.000 1.335 55 C CB 0.983 28.865 27.740 0.237 0.000 1.964 55 C HN 0.629 nan 8.230 nan 0.000 0.444 56 V N 7.317 127.393 119.914 0.269 0.000 2.427 56 V HA 0.750 4.258 4.120 -1.020 0.000 0.286 56 V C -0.132 176.157 176.094 0.325 0.000 1.034 56 V CA -0.058 62.367 62.300 0.208 0.000 0.893 56 V CB 1.003 32.907 31.823 0.135 0.000 0.982 56 V HN 0.813 nan 8.190 nan 0.000 0.452 57 F N 2.822 122.902 119.950 0.216 0.000 2.711 57 F HA 0.839 4.754 4.527 -1.020 0.000 0.313 57 F C -0.753 175.235 175.800 0.313 0.000 1.141 57 F CA -0.887 57.242 58.000 0.215 0.000 0.941 57 F CB 1.753 40.828 39.000 0.125 0.000 1.349 57 F HN 0.681 nan 8.300 nan 0.000 0.464 58 H N 0.350 119.687 119.070 0.444 0.000 3.016 58 H HA 0.788 4.732 4.556 -1.020 0.000 0.362 58 H C -1.604 173.948 175.328 0.374 0.000 1.233 58 H CA -1.080 55.168 56.048 0.333 0.000 1.124 58 H CB 1.318 31.190 29.762 0.184 0.000 1.850 58 H HN 1.132 nan 8.280 nan 0.000 0.549 59 A N 1.272 124.332 122.820 0.400 0.000 2.440 59 A HA 0.247 3.955 4.320 -1.020 0.000 0.251 59 A C 1.417 179.173 177.584 0.286 0.000 1.089 59 A CA 0.221 52.424 52.037 0.276 0.000 0.779 59 A CB 0.133 19.277 19.000 0.239 0.000 1.022 59 A HN 0.835 nan 8.150 nan 0.000 0.492 60 T N 0.407 115.076 114.554 0.191 0.000 2.851 60 T HA -0.053 3.685 4.350 -1.020 0.000 0.262 60 T C 0.690 175.481 174.700 0.152 0.000 1.043 60 T CA 0.812 63.025 62.100 0.189 0.000 1.140 60 T CB -0.647 68.313 68.868 0.154 0.000 0.872 60 T HN 0.781 nan 8.240 nan 0.000 0.446 67 R N 3.063 123.592 120.500 0.048 0.000 2.605 67 R HA 0.454 4.182 4.340 -1.020 0.000 0.271 67 R C 0.857 177.141 176.300 -0.027 0.000 1.418 67 R CA 0.690 56.808 56.100 0.029 0.000 1.102 67 R CB -0.276 30.062 30.300 0.064 0.000 1.131 67 R HN 0.850 nan 8.270 nan 0.000 0.554 68 V N 0.715 120.561 119.914 -0.112 0.000 2.490 68 V HA -0.178 3.330 4.120 -1.020 0.000 0.250 68 V C 1.733 177.761 176.094 -0.110 0.000 1.061 68 V CA 2.526 64.692 62.300 -0.223 0.000 1.064 68 V CB 0.075 31.667 31.823 -0.384 0.000 0.670 68 V HN 0.868 nan 8.190 nan 0.000 0.461 69 D N -0.293 120.083 120.400 -0.039 0.000 2.194 69 D HA 0.006 4.034 4.640 -1.020 0.000 0.204 69 D C 2.116 178.429 176.300 0.022 0.000 0.964 69 D CA 1.260 55.263 54.000 0.005 0.000 0.846 69 D CB 0.125 40.938 40.800 0.021 0.000 0.962 69 D HN 0.521 nan 8.370 nan 0.000 0.490 70 A N 0.356 123.192 122.820 0.025 0.000 1.969 70 A HA -0.103 3.605 4.320 -1.020 0.000 0.218 70 A C 2.114 179.712 177.584 0.023 0.000 1.169 70 A CA 0.833 52.908 52.037 0.062 0.000 0.635 70 A CB -0.561 18.509 19.000 0.117 0.000 0.810 70 A HN 0.316 nan 8.150 nan 0.000 0.445 71 L N 0.020 121.173 121.223 -0.116 0.000 1.994 71 L HA -0.132 3.596 4.340 -1.020 0.000 0.208 71 L C 2.465 179.271 176.870 -0.106 0.000 1.071 71 L CA 1.934 56.571 54.840 -0.338 0.000 0.745 71 L CB -0.643 41.159 42.059 -0.428 0.000 0.892 71 L HN 0.337 nan 8.230 nan 0.000 0.431 72 R N -0.696 119.804 120.500 0.001 0.000 2.094 72 R HA -0.191 3.537 4.340 -1.020 0.000 0.239 72 R C 2.388 178.804 176.300 0.194 0.000 1.137 72 R CA 1.952 58.161 56.100 0.182 0.000 0.943 72 R CB -0.506 29.943 30.300 0.248 0.000 0.850 72 R HN 0.405 nan 8.270 nan 0.000 0.433 73 R N 0.763 121.337 120.500 0.124 0.000 2.091 73 R HA -0.165 3.563 4.340 -1.020 0.000 0.238 73 R C 2.049 178.395 176.300 0.077 0.000 1.136 73 R CA 1.652 57.819 56.100 0.111 0.000 0.959 73 R CB -0.172 30.176 30.300 0.079 0.000 0.856 73 R HN 0.412 nan 8.270 nan 0.000 0.437 74 E N -0.648 119.583 120.200 0.051 0.000 2.347 74 E HA -0.141 3.597 4.350 -1.020 0.000 0.196 74 E C 1.379 177.959 176.600 -0.033 0.000 1.008 74 E CA 0.399 56.814 56.400 0.024 0.000 0.852 74 E CB -0.012 29.731 29.700 0.072 0.000 0.783 74 E HN 0.245 nan 8.360 nan 0.000 0.505 75 F N 2.063 121.886 119.950 -0.212 0.000 2.325 75 F HA -0.093 3.822 4.527 -1.020 0.000 0.299 75 F C 2.043 177.617 175.800 -0.378 0.000 1.090 75 F CA 0.870 58.630 58.000 -0.399 0.000 1.392 75 F CB 0.330 38.891 39.000 -0.732 0.000 1.053 75 F HN -0.111 nan 8.300 nan 0.000 0.521 76 E N 0.759 120.907 120.200 -0.087 0.000 2.070 76 E HA -0.212 3.526 4.350 -1.020 0.000 0.197 76 E C -0.291 176.246 176.600 -0.106 0.000 1.004 76 E CA 1.748 58.143 56.400 -0.009 0.000 0.805 76 E CB -2.084 27.680 29.700 0.106 0.000 0.744 76 E HN 0.335 nan 8.360 nan 0.000 0.451 77 P HA -0.090 nan 4.420 nan 0.000 0.219 77 P C 1.642 178.820 177.300 -0.203 0.000 1.146 77 P CA 1.044 64.064 63.100 -0.133 0.000 0.808 77 P CB -0.142 31.491 31.700 -0.111 0.000 0.779 78 I N -0.618 119.750 120.570 -0.336 0.000 2.233 78 I HA -0.175 3.383 4.170 -1.020 0.000 0.243 78 I C 2.402 178.361 176.117 -0.263 0.000 1.093 78 I CA 1.332 62.424 61.300 -0.348 0.000 1.380 78 I CB -0.861 36.722 38.000 -0.696 0.000 1.067 78 I HN -0.108 nan 8.210 nan 0.000 0.413 79 A N 0.444 123.008 122.820 -0.428 0.000 1.902 79 A HA -0.259 3.448 4.320 -1.020 0.000 0.217 79 A C 2.326 179.922 177.584 0.020 0.000 1.181 79 A CA 1.917 53.865 52.037 -0.148 0.000 0.623 79 A CB -0.653 18.290 19.000 -0.094 0.000 0.818 79 A HN 0.516 nan 8.150 nan 0.000 0.443 80 E N -0.206 119.982 120.200 -0.019 0.000 2.051 80 E HA -0.251 3.487 4.350 -1.020 0.000 0.192 80 E C 2.292 178.846 176.600 -0.076 0.000 0.991 80 E CA 1.270 57.664 56.400 -0.011 0.000 0.799 80 E CB -0.213 29.474 29.700 -0.022 0.000 0.748 80 E HN 0.597 nan 8.360 nan 0.000 0.449 81 R N -0.593 119.802 120.500 -0.175 0.000 2.073 81 R HA -0.125 3.603 4.340 -1.020 0.000 0.234 81 R C 1.560 177.609 176.300 -0.419 0.000 1.134 81 R CA 1.622 57.505 56.100 -0.361 0.000 0.952 81 R CB -0.223 29.730 30.300 -0.580 0.000 0.850 81 R HN 0.206 nan 8.270 nan 0.000 0.433 82 F N 1.140 121.036 119.950 -0.091 0.000 2.765 82 F HA 0.264 4.179 4.527 -1.021 0.000 0.302 82 F C 0.517 176.305 175.800 -0.021 0.000 1.111 82 F CA -0.206 57.754 58.000 -0.068 0.000 1.359 82 F CB 0.198 39.147 39.000 -0.086 0.000 1.097 82 F HN -0.044 nan 8.300 nan 0.000 0.577 86 W N 0.748 122.129 121.300 0.136 0.000 3.005 86 W HA 0.898 4.948 4.660 -1.016 0.000 0.343 86 W C -2.080 174.443 176.519 0.007 0.000 1.243 86 W CA -0.668 56.744 57.345 0.111 0.000 1.186 86 W CB 0.916 30.486 29.460 0.183 0.000 1.453 86 W HN 0.851 nan 8.180 nan 0.000 0.575 87 A N 1.422 124.293 122.820 0.085 0.000 2.605 87 A HA 0.747 4.454 4.320 -1.020 0.000 0.294 87 A C -2.164 175.393 177.584 -0.045 0.000 1.062 87 A CA -0.885 50.994 52.037 -0.264 0.000 0.682 87 A CB 1.441 20.245 19.000 -0.326 0.000 1.278 87 A HN 0.609 nan 8.150 nan 0.000 0.410 88 I N 2.078 122.555 120.570 -0.156 0.000 2.410 88 I HA 0.401 3.959 4.170 -1.020 0.000 0.286 88 I C -0.692 175.321 176.117 -0.173 0.000 1.009 88 I CA -0.324 60.966 61.300 -0.017 0.000 1.111 88 I CB 1.694 39.760 38.000 0.110 0.000 1.262 88 I HN 0.763 nan 8.210 nan 0.000 0.443 89 H N 3.182 122.324 119.070 0.119 0.000 2.573 89 H HA 0.271 4.215 4.556 -1.021 0.000 0.351 89 H C -0.623 174.784 175.328 0.132 0.000 1.163 89 H CA -0.647 55.457 56.048 0.094 0.000 1.205 89 H CB 1.591 31.359 29.762 0.010 0.000 1.605 89 H HN 0.405 nan 8.280 nan 0.000 0.525 90 D N 1.930 122.450 120.400 0.199 0.000 2.317 90 D HA -0.006 4.022 4.640 -1.020 0.000 0.252 90 D C 0.844 177.075 176.300 -0.116 0.000 1.174 90 D CA 0.040 53.961 54.000 -0.133 0.000 0.866 90 D CB 1.277 42.073 40.800 -0.007 0.000 1.127 90 D HN 0.292 nan 8.370 nan 0.000 0.467 91 V N 4.307 124.081 119.914 -0.232 0.000 2.594 91 V HA -0.196 3.311 4.120 -1.020 0.000 0.253 91 V C 2.305 178.334 176.094 -0.109 0.000 1.069 91 V CA 1.961 64.183 62.300 -0.130 0.000 1.082 91 V CB -0.626 31.114 31.823 -0.138 0.000 0.680 91 V HN 0.706 nan 8.190 nan 0.000 0.469 92 A N 0.003 122.746 122.820 -0.128 0.000 2.014 92 A HA 0.310 4.018 4.320 -1.020 0.000 0.218 92 A C 1.572 179.120 177.584 -0.060 0.000 1.163 92 A CA 0.832 52.795 52.037 -0.124 0.000 0.652 92 A CB -0.401 18.470 19.000 -0.215 0.000 0.808 92 A HN 0.565 nan 8.150 nan 0.000 0.449 93 A N 0.361 123.167 122.820 -0.023 0.000 2.511 93 A HA 0.425 4.133 4.320 -1.020 0.000 0.242 93 A C 0.289 177.875 177.584 0.003 0.000 1.069 93 A CA -0.226 51.816 52.037 0.009 0.000 0.763 93 A CB -0.059 18.970 19.000 0.047 0.000 1.001 93 A HN 0.503 nan 8.150 nan 0.000 0.498 94 R N 2.936 123.446 120.500 0.017 0.000 2.198 94 R HA 0.340 4.068 4.340 -1.020 0.000 0.339 94 R C -2.684 173.638 176.300 0.037 0.000 1.020 94 R CA -1.575 54.543 56.100 0.030 0.000 0.864 94 R CB 0.669 31.000 30.300 0.052 0.000 1.105 94 R HN 0.467 nan 8.270 nan 0.000 0.463 95 P HA -0.049 nan 4.420 nan 0.000 0.265 95 P C -0.778 176.550 177.300 0.046 0.000 1.193 95 P CA 0.092 63.215 63.100 0.040 0.000 0.765 95 P CB 0.580 32.314 31.700 0.056 0.000 0.823 96 K N 1.787 122.207 120.400 0.033 0.000 2.297 96 K HA 0.393 4.101 4.320 -1.020 0.000 0.286 96 K C -0.099 176.501 176.600 0.000 0.000 1.053 96 K CA -0.614 55.676 56.287 0.005 0.000 0.940 96 K CB 0.678 33.167 32.500 -0.019 0.000 1.019 96 K HN 0.305 nan 8.250 nan 0.000 0.475 97 V N 1.113 121.008 119.914 -0.030 0.000 2.876 97 V HA 0.596 4.104 4.120 -1.020 0.000 0.312 97 V C -1.314 174.741 176.094 -0.064 0.000 1.085 97 V CA -1.228 61.046 62.300 -0.044 0.000 0.945 97 V CB 1.714 33.487 31.823 -0.082 0.000 1.017 97 V HN 0.583 nan 8.190 nan 0.000 0.428 98 L N 4.640 125.848 121.223 -0.026 0.000 2.322 98 L HA 0.757 4.485 4.340 -1.020 0.000 0.281 98 L C -0.443 176.350 176.870 -0.128 0.000 1.014 98 L CA -0.120 54.695 54.840 -0.042 0.000 0.815 98 L CB 1.193 43.310 42.059 0.097 0.000 1.247 98 L HN 0.785 nan 8.230 nan 0.000 0.421 102 S N 2.149 118.064 115.700 0.358 0.000 4.167 102 S HA 0.452 4.310 4.470 -1.020 0.000 0.194 102 S C 0.553 175.318 174.600 0.276 0.000 1.053 102 S CA -0.130 58.281 58.200 0.351 0.000 1.663 102 S CB 0.502 63.828 63.200 0.210 0.000 0.938 102 S HN 0.778 nan 8.310 nan 0.000 0.804 103 K N 0.634 121.094 120.400 0.100 0.000 2.358 103 K HA 0.378 4.086 4.320 -1.020 0.000 0.197 103 K C -0.613 176.147 176.600 0.267 0.000 1.025 103 K CA 0.116 56.394 56.287 -0.015 0.000 1.104 103 K CB 0.066 32.409 32.500 -0.262 0.000 0.855 103 K HN 0.244 nan 8.250 nan 0.000 0.531 104 L N 1.359 122.767 121.223 0.309 0.000 2.272 104 L HA 0.227 3.955 4.340 -1.020 0.000 0.289 104 L C 1.188 178.120 176.870 0.104 0.000 1.032 104 L CA -0.206 54.786 54.840 0.252 0.000 0.810 104 L CB 1.416 43.583 42.059 0.180 0.000 1.205 104 L HN 0.116 nan 8.230 nan 0.000 0.422 105 E N 1.874 122.094 120.200 0.034 0.000 2.299 105 E HA -0.142 3.596 4.350 -1.020 0.000 0.193 105 E C 1.771 178.179 176.600 -0.319 0.000 0.998 105 E CA 0.342 56.461 56.400 -0.469 0.000 0.851 105 E CB 0.298 29.800 29.700 -0.330 0.000 0.795 105 E HN 0.760 nan 8.360 nan 0.000 0.492 106 H N -0.552 118.440 119.070 -0.130 0.000 2.321 106 H HA -0.127 3.819 4.556 -1.017 0.000 0.300 106 H C 2.014 177.281 175.328 -0.102 0.000 1.087 106 H CA 1.494 57.482 56.048 -0.100 0.000 1.319 106 H CB -0.886 28.845 29.762 -0.052 0.000 1.379 106 H HN 0.235 nan 8.280 nan 0.000 0.501 107 C N 1.062 120.090 119.300 -0.453 0.000 2.453 107 C HA -0.074 3.774 4.460 -1.020 0.000 0.277 107 C C 3.084 177.950 174.990 -0.207 0.000 1.262 107 C CA 0.610 59.477 59.018 -0.252 0.000 1.718 107 C CB -1.184 26.387 27.740 -0.283 0.000 2.031 107 C HN 0.518 nan 8.230 nan 0.000 0.480 108 L N 2.133 123.191 121.223 -0.274 0.000 2.043 108 L HA -0.113 3.615 4.340 -1.020 0.000 0.212 108 L C 2.525 179.261 176.870 -0.224 0.000 1.075 108 L CA 2.531 57.215 54.840 -0.259 0.000 0.752 108 L CB -0.945 40.914 42.059 -0.333 0.000 0.891 108 L HN 0.283 nan 8.230 nan 0.000 0.432 109 A N -0.915 121.774 122.820 -0.219 0.000 1.898 109 A HA -0.266 3.442 4.320 -1.020 0.000 0.216 109 A C 2.083 179.657 177.584 -0.017 0.000 1.181 109 A CA 1.763 53.727 52.037 -0.122 0.000 0.620 109 A CB -1.060 17.878 19.000 -0.102 0.000 0.819 109 A HN 0.622 nan 8.150 nan 0.000 0.442 110 D N -0.248 120.140 120.400 -0.021 0.000 2.104 110 D HA -0.148 3.880 4.640 -1.020 0.000 0.194 110 D C 1.863 178.213 176.300 0.083 0.000 0.994 110 D CA 1.455 55.477 54.000 0.037 0.000 0.830 110 D CB -0.174 40.633 40.800 0.011 0.000 0.959 110 D HN 0.414 nan 8.370 nan 0.000 0.452 111 L N 0.021 121.249 121.223 0.008 0.000 2.012 111 L HA -0.174 3.554 4.340 -1.020 0.000 0.210 111 L C 2.610 179.516 176.870 0.060 0.000 1.073 111 L CA 0.769 55.615 54.840 0.009 0.000 0.748 111 L CB -0.504 41.506 42.059 -0.080 0.000 0.891 111 L HN 0.233 nan 8.230 nan 0.000 0.431 112 L N -1.444 119.775 121.223 -0.006 0.000 2.083 112 L HA -0.248 3.480 4.340 -1.020 0.000 0.209 112 L C 2.569 179.591 176.870 0.254 0.000 1.083 112 L CA 1.286 56.143 54.840 0.028 0.000 0.752 112 L CB -0.561 41.293 42.059 -0.342 0.000 0.899 112 L HN 0.176 nan 8.230 nan 0.000 0.433 113 F N 1.027 121.031 119.950 0.090 0.000 2.075 113 F HA -0.201 3.713 4.527 -1.021 0.000 0.297 113 F C 2.749 178.608 175.800 0.099 0.000 1.113 113 F CA 1.523 59.587 58.000 0.107 0.000 1.218 113 F CB -0.139 38.896 39.000 0.058 0.000 0.984 113 F HN -0.149 nan 8.300 nan 0.000 0.472 114 R N -1.100 119.543 120.500 0.238 0.000 2.096 114 R HA -0.227 3.500 4.340 -1.020 0.000 0.235 114 R C 2.058 178.400 176.300 0.070 0.000 1.127 114 R CA 1.768 57.941 56.100 0.122 0.000 0.968 114 R CB -1.044 29.348 30.300 0.152 0.000 0.861 114 R HN 0.564 nan 8.270 nan 0.000 0.440 115 W N 2.670 123.930 121.300 -0.066 0.000 2.354 115 W HA -0.104 3.950 4.660 -1.010 0.000 0.315 115 W C 1.050 177.511 176.519 -0.095 0.000 1.206 115 W CA 1.014 58.317 57.345 -0.070 0.000 1.290 115 W CB -0.119 29.305 29.460 -0.059 0.000 1.152 115 W HN -0.173 nan 8.180 nan 0.000 0.489 119 E N 0.017 120.178 120.200 -0.065 0.000 2.076 119 E HA 0.137 3.875 4.350 -1.020 0.000 0.190 119 E C 0.379 176.987 176.600 0.014 0.000 0.979 119 E CA 0.290 56.681 56.400 -0.015 0.000 0.807 119 E CB 0.008 29.716 29.700 0.014 0.000 0.761 119 E HN 0.349 nan 8.360 nan 0.000 0.454 120 L N 2.759 124.010 121.223 0.046 0.000 2.272 120 L HA 0.313 4.041 4.340 -1.020 0.000 0.284 120 L C -0.019 176.920 176.870 0.116 0.000 1.045 120 L CA -0.409 54.484 54.840 0.088 0.000 0.842 120 L CB 1.249 43.384 42.059 0.126 0.000 1.224 120 L HN -0.034 nan 8.230 nan 0.000 0.430 124 I N 2.236 122.706 120.570 -0.166 0.000 2.294 124 I HA 0.053 3.611 4.170 -1.020 0.000 0.295 124 I C 1.956 177.971 176.117 -0.170 0.000 1.098 124 I CA -0.444 60.678 61.300 -0.295 0.000 1.277 124 I CB 1.057 38.680 38.000 -0.628 0.000 1.434 124 I HN 0.310 nan 8.210 nan 0.000 0.498 125 V N 3.256 123.107 119.914 -0.106 0.000 3.041 125 V HA 0.386 3.894 4.120 -1.020 0.000 0.260 125 V C 0.819 176.877 176.094 -0.059 0.000 1.105 125 V CA 0.826 63.089 62.300 -0.061 0.000 1.125 125 V CB -0.760 31.034 31.823 -0.049 0.000 0.730 125 V HN 0.830 nan 8.190 nan 0.000 0.479 126 G N -0.666 108.079 108.800 -0.091 0.000 2.377 126 G HA2 0.533 3.881 3.960 -1.020 0.000 0.297 126 G HA3 0.533 3.881 3.960 -1.020 0.000 0.297 126 G C -1.639 173.190 174.900 -0.119 0.000 1.547 126 G CA -0.788 44.263 45.100 -0.081 0.000 0.833 126 G HN 0.197 nan 8.290 nan 0.000 0.583 127 I N 0.563 121.066 120.570 -0.113 0.000 2.433 127 I HA 0.592 4.150 4.170 -1.020 0.000 0.292 127 I C -0.270 175.620 176.117 -0.378 0.000 1.001 127 I CA -1.135 60.076 61.300 -0.149 0.000 1.119 127 I CB 2.104 40.133 38.000 0.047 0.000 1.289 127 I HN 0.247 nan 8.210 nan 0.000 0.438 128 V N 4.468 124.144 119.914 -0.397 0.000 2.735 128 V HA 0.645 4.152 4.120 -1.020 0.000 0.310 128 V C -0.414 175.424 176.094 -0.426 0.000 1.061 128 V CA -0.441 61.562 62.300 -0.496 0.000 0.913 128 V CB 2.082 33.730 31.823 -0.292 0.000 1.005 128 V HN 0.774 nan 8.190 nan 0.000 0.428 129 S N 1.845 117.330 115.700 -0.359 0.000 2.537 129 S HA 0.346 4.204 4.470 -1.020 0.000 0.270 129 S C 0.439 175.154 174.600 0.192 0.000 1.142 129 S CA -0.525 57.674 58.200 -0.001 0.000 0.870 129 S CB 1.639 64.930 63.200 0.152 0.000 1.112 129 S HN 0.890 nan 8.310 nan 0.000 0.466 130 N N 2.242 121.127 118.700 0.309 0.000 2.515 130 N HA 0.008 4.136 4.740 -1.020 0.000 0.185 130 N C 0.000 175.500 175.510 -0.017 0.000 1.109 130 N CA 0.608 53.751 53.050 0.155 0.000 0.903 130 N CB -0.303 38.211 38.487 0.045 0.000 0.969 130 N HN 0.611 nan 8.380 nan 0.000 0.450 131 H N -0.651 118.584 119.070 0.276 0.000 2.834 131 H HA 0.298 4.247 4.556 -1.013 0.000 0.369 131 H C -1.931 173.217 175.328 -0.301 0.000 1.174 131 H CA -1.430 54.605 56.048 -0.021 0.000 1.165 131 H CB 2.766 32.497 29.762 -0.051 0.000 1.820 131 H HN -0.062 nan 8.280 nan 0.000 0.558 132 P HA 0.044 nan 4.420 nan 0.000 0.261 132 P C 0.101 177.218 177.300 -0.305 0.000 1.268 132 P CA 0.260 63.140 63.100 -0.367 0.000 0.833 132 P CB 0.510 31.948 31.700 -0.438 0.000 1.231 133 D N 0.536 120.715 120.400 -0.369 0.000 2.133 133 D HA -0.160 3.868 4.640 -1.020 0.000 0.195 133 D C 0.751 176.623 176.300 -0.714 0.000 0.997 133 D CA 1.439 55.054 54.000 -0.641 0.000 0.840 133 D CB -0.728 39.452 40.800 -1.032 0.000 0.947 133 D HN 0.254 nan 8.370 nan 0.000 0.452 134 F N -0.254 119.585 119.950 -0.186 0.000 2.668 134 F HA 0.503 4.414 4.527 -1.025 0.000 0.297 134 F C 1.794 177.115 175.800 -0.799 0.000 1.124 134 F CA -0.794 57.038 58.000 -0.279 0.000 1.353 134 F CB -0.599 38.387 39.000 -0.024 0.000 0.992 134 F HN -0.120 nan 8.300 nan 0.000 0.524 135 A N 0.981 123.084 122.820 -1.195 0.000 1.902 135 A HA -0.091 3.617 4.320 -1.020 0.000 0.217 135 A C -0.126 177.152 177.584 -0.511 0.000 1.181 135 A CA 1.599 52.786 52.037 -1.417 0.000 0.623 135 A CB -1.633 16.822 19.000 -0.910 0.000 0.818 135 A HN 0.205 nan 8.150 nan 0.000 0.443 136 P HA -0.108 nan 4.420 nan 0.000 0.216 136 P C 1.649 178.933 177.300 -0.027 0.000 1.153 136 P CA 0.663 63.696 63.100 -0.112 0.000 0.848 136 P CB -0.092 31.565 31.700 -0.072 0.000 0.787 137 L N 0.009 121.244 121.223 0.020 0.000 2.012 137 L HA -0.171 3.557 4.340 -1.020 0.000 0.210 137 L C 2.225 179.204 176.870 0.182 0.000 1.073 137 L CA 2.207 57.122 54.840 0.125 0.000 0.748 137 L CB -1.577 40.553 42.059 0.118 0.000 0.891 137 L HN -0.107 nan 8.230 nan 0.000 0.431 138 A N -0.646 122.214 122.820 0.066 0.000 1.877 138 A HA -0.125 3.583 4.320 -1.020 0.000 0.216 138 A C 2.462 180.121 177.584 0.125 0.000 1.186 138 A CA 1.993 54.096 52.037 0.110 0.000 0.620 138 A CB -1.251 17.845 19.000 0.161 0.000 0.822 138 A HN 0.583 nan 8.150 nan 0.000 0.443 139 A N -0.722 122.129 122.820 0.051 0.000 1.908 139 A HA -0.249 3.459 4.320 -1.020 0.000 0.218 139 A C 2.090 179.706 177.584 0.053 0.000 1.181 139 A CA 1.769 53.832 52.037 0.043 0.000 0.627 139 A CB -0.642 18.357 19.000 -0.003 0.000 0.818 139 A HN 0.660 nan 8.150 nan 0.000 0.445 140 Q N -1.550 118.281 119.800 0.051 0.000 2.226 140 Q HA -0.188 3.540 4.340 -1.020 0.000 0.204 140 Q C 1.121 177.047 176.000 -0.124 0.000 0.975 140 Q CA 1.574 57.358 55.803 -0.031 0.000 0.866 140 Q CB -0.148 28.559 28.738 -0.052 0.000 0.915 140 Q HN 0.902 nan 8.270 nan 0.000 0.440 141 H N -1.800 117.326 119.070 0.093 0.000 2.586 141 H HA 0.237 4.181 4.556 -1.020 0.000 0.273 141 H C 0.825 176.265 175.328 0.186 0.000 0.997 141 H CA 0.476 56.631 56.048 0.178 0.000 1.177 141 H CB 0.879 30.770 29.762 0.216 0.000 1.471 141 H HN 0.339 nan 8.280 nan 0.000 0.538 142 G N 0.856 109.766 108.800 0.185 0.000 2.176 142 G HA2 -0.280 3.068 3.960 -1.020 0.000 0.252 142 G HA3 -0.280 3.068 3.960 -1.020 0.000 0.252 142 G C -0.183 174.798 174.900 0.135 0.000 1.024 142 G CA 0.136 45.322 45.100 0.143 0.000 0.755 142 G HN 0.296 nan 8.290 nan 0.000 0.507 143 L N 0.167 121.462 121.223 0.119 0.000 2.317 143 L HA 0.480 4.208 4.340 -1.020 0.000 0.281 143 L C -1.909 175.006 176.870 0.075 0.000 1.024 143 L CA -2.445 52.428 54.840 0.054 0.000 0.810 143 L CB 1.729 43.765 42.059 -0.038 0.000 1.240 143 L HN -0.153 nan 8.230 nan 0.000 0.427 144 P HA 0.055 nan 4.420 nan 0.000 0.266 144 P C -1.213 176.156 177.300 0.115 0.000 1.195 144 P CA 0.238 63.381 63.100 0.070 0.000 0.768 144 P CB 0.326 32.043 31.700 0.027 0.000 0.838 145 F N 3.374 123.302 119.950 -0.037 0.000 2.556 145 F HA 0.544 4.483 4.527 -0.981 0.000 0.314 145 F C -0.453 175.289 175.800 -0.096 0.000 1.106 145 F CA -0.752 57.216 58.000 -0.053 0.000 0.911 145 F CB 1.616 40.600 39.000 -0.026 0.000 1.190 145 F HN 0.060 nan 8.300 nan 0.000 0.448 146 R N 4.326 124.383 120.500 -0.738 0.000 2.532 146 R HA 0.203 3.931 4.340 -1.020 0.000 0.297 146 R C -1.346 174.401 176.300 -0.922 0.000 0.984 146 R CA -0.684 54.988 56.100 -0.713 0.000 0.884 146 R CB 1.389 31.228 30.300 -0.768 0.000 1.182 146 R HN 0.842 nan 8.270 nan 0.000 0.442 147 H N 3.658 122.346 119.070 -0.637 0.000 2.594 147 H HA 0.340 4.290 4.556 -1.011 0.000 0.304 147 H C -1.011 174.087 175.328 -0.384 0.000 1.068 147 H CA -0.394 55.443 56.048 -0.353 0.000 1.308 147 H CB 0.492 30.264 29.762 0.017 0.000 1.409 147 H HN 0.263 nan 8.280 nan 0.000 0.460 148 F N 7.432 127.285 119.950 -0.162 0.000 2.443 148 F HA 0.262 4.823 4.527 0.057 0.000 0.369 148 F C -2.144 173.524 175.800 -0.221 0.000 1.090 148 F CA -2.771 55.117 58.000 -0.187 0.000 1.129 148 F CB 1.067 40.068 39.000 0.003 0.000 1.367 148 F HN 0.488 nan 8.300 nan 0.000 0.465 149 P HA 0.265 nan 4.420 nan 0.000 0.272 149 P C -0.276 177.015 177.300 -0.015 0.000 1.230 149 P CA 0.030 63.037 63.100 -0.155 0.000 0.788 149 P CB 1.695 33.276 31.700 -0.198 0.000 0.949 150 I N 0.628 121.194 120.570 -0.007 0.000 2.603 150 I HA 0.434 3.992 4.170 -1.020 0.000 0.300 150 I C 0.699 176.821 176.117 0.007 0.000 1.017 150 I CA -0.494 60.816 61.300 0.017 0.000 1.098 150 I CB 2.262 40.283 38.000 0.035 0.000 1.279 150 I HN 0.372 nan 8.210 nan 0.000 0.437 151 T N 0.760 115.321 114.554 0.012 0.000 2.916 151 T HA 0.576 4.314 4.350 -1.020 0.000 0.292 151 T C 0.867 175.574 174.700 0.012 0.000 1.064 151 T CA -0.266 61.841 62.100 0.012 0.000 1.011 151 T CB 1.815 70.689 68.868 0.010 0.000 1.152 151 T HN 0.601 nan 8.240 nan 0.000 0.510 152 A N 0.888 123.716 122.820 0.012 0.000 1.927 152 A HA -0.171 3.537 4.320 -1.020 0.000 0.220 152 A C 1.798 179.386 177.584 0.008 0.000 1.185 152 A CA 2.312 54.356 52.037 0.011 0.000 0.639 152 A CB -1.136 17.871 19.000 0.010 0.000 0.820 152 A HN 0.881 nan 8.150 nan 0.000 0.451 153 D N -1.089 119.314 120.400 0.005 0.000 2.194 153 D HA -0.031 3.997 4.640 -1.020 0.000 0.204 153 D C 1.716 178.013 176.300 -0.005 0.000 0.964 153 D CA 1.674 55.674 54.000 -0.000 0.000 0.846 153 D CB -0.471 40.328 40.800 -0.002 0.000 0.962 153 D HN 0.613 nan 8.370 nan 0.000 0.490 154 T N -1.567 112.985 114.554 -0.003 0.000 3.244 154 T HA 0.158 3.896 4.350 -1.020 0.000 0.254 154 T C 1.354 176.049 174.700 -0.008 0.000 1.024 154 T CA -0.441 61.652 62.100 -0.011 0.000 0.920 154 T CB 0.335 69.195 68.868 -0.012 0.000 1.042 154 T HN -0.179 nan 8.240 nan 0.000 0.572 155 K N 1.974 122.375 120.400 0.003 0.000 2.009 155 K HA -0.019 3.689 4.320 -1.020 0.000 0.210 155 K C 2.559 179.153 176.600 -0.011 0.000 1.049 155 K CA 1.634 57.931 56.287 0.017 0.000 0.929 155 K CB -1.033 31.480 32.500 0.022 0.000 0.714 155 K HN 0.536 nan 8.250 nan 0.000 0.440 156 A N 1.476 124.275 122.820 -0.034 0.000 1.902 156 A HA -0.216 3.492 4.320 -1.020 0.000 0.217 156 A C 2.242 179.760 177.584 -0.110 0.000 1.181 156 A CA 1.610 53.605 52.037 -0.070 0.000 0.623 156 A CB -0.432 18.533 19.000 -0.059 0.000 0.818 156 A HN 0.306 nan 8.150 nan 0.000 0.443 157 Q N -0.773 118.972 119.800 -0.092 0.000 2.079 157 Q HA -0.164 3.564 4.340 -1.020 0.000 0.200 157 Q C 2.298 178.197 176.000 -0.169 0.000 0.974 157 Q CA 1.672 57.404 55.803 -0.118 0.000 0.840 157 Q CB -0.288 28.400 28.738 -0.083 0.000 0.898 157 Q HN 0.738 nan 8.270 nan 0.000 0.430 158 Q N 0.835 120.565 119.800 -0.117 0.000 2.119 158 Q HA -0.199 3.529 4.340 -1.020 0.000 0.201 158 Q C 1.579 177.462 176.000 -0.196 0.000 0.972 158 Q CA 1.383 57.123 55.803 -0.106 0.000 0.847 158 Q CB 0.113 28.881 28.738 0.050 0.000 0.903 158 Q HN 0.524 nan 8.270 nan 0.000 0.433 159 E N -0.087 119.965 120.200 -0.247 0.000 2.077 159 E HA -0.156 3.582 4.350 -1.020 0.000 0.193 159 E C 1.892 177.990 176.600 -0.836 0.000 0.989 159 E CA 0.934 56.933 56.400 -0.670 0.000 0.800 159 E CB -0.062 29.388 29.700 -0.417 0.000 0.746 159 E HN 0.432 nan 8.360 nan 0.000 0.452 160 A N 1.162 123.692 122.820 -0.483 0.000 1.933 160 A HA -0.262 3.446 4.320 -1.020 0.000 0.218 160 A C 2.029 179.361 177.584 -0.420 0.000 1.175 160 A CA 1.378 53.176 52.037 -0.398 0.000 0.628 160 A CB -0.410 18.438 19.000 -0.254 0.000 0.814 160 A HN 0.192 nan 8.150 nan 0.000 0.444 161 Q N -0.792 118.711 119.800 -0.495 0.000 2.030 161 Q HA -0.196 3.532 4.340 -1.020 0.000 0.204 161 Q C 2.162 177.839 176.000 -0.538 0.000 0.986 161 Q CA 1.889 57.296 55.803 -0.659 0.000 0.843 161 Q CB -0.395 27.643 28.738 -1.166 0.000 0.904 161 Q HN 1.055 nan 8.270 nan 0.000 0.420 162 W N 0.223 121.248 121.300 -0.459 0.000 2.518 162 W HA 0.010 3.994 4.660 -1.125 0.000 0.273 162 W C 1.167 177.670 176.519 -0.026 0.000 1.247 162 W CA 0.226 57.506 57.345 -0.108 0.000 1.288 162 W CB -0.433 29.032 29.460 0.009 0.000 1.107 162 W HN 0.079 nan 8.180 nan 0.000 0.586 163 L N 1.274 122.228 121.223 -0.449 0.000 2.131 163 L HA -0.211 3.517 4.340 -1.020 0.000 0.210 163 L C 2.460 179.328 176.870 -0.003 0.000 1.092 163 L CA 1.970 56.633 54.840 -0.294 0.000 0.759 163 L CB -0.908 40.823 42.059 -0.548 0.000 0.903 163 L HN -0.049 nan 8.230 nan 0.000 0.435 164 D N -0.213 120.144 120.400 -0.071 0.000 2.117 164 D HA -0.153 3.875 4.640 -1.020 0.000 0.198 164 D C 2.137 178.477 176.300 0.067 0.000 0.982 164 D CA 1.046 55.037 54.000 -0.015 0.000 0.828 164 D CB 0.149 40.909 40.800 -0.067 0.000 0.967 164 D HN 0.008 nan 8.370 nan 0.000 0.464 165 V N 0.265 120.260 119.914 0.136 0.000 2.295 165 V HA -0.186 3.321 4.120 -1.020 0.000 0.246 165 V C 2.224 178.417 176.094 0.166 0.000 1.049 165 V CA 1.718 64.123 62.300 0.174 0.000 1.024 165 V CB -0.794 31.192 31.823 0.272 0.000 0.648 165 V HN 0.245 nan 8.190 nan 0.000 0.447 166 F N 1.356 121.372 119.950 0.109 0.000 2.065 166 F HA -0.214 3.684 4.527 -1.050 0.000 0.298 166 F C 2.503 178.328 175.800 0.042 0.000 1.112 166 F CA 2.154 60.208 58.000 0.090 0.000 1.212 166 F CB -0.239 38.848 39.000 0.144 0.000 0.975 166 F HN 0.152 nan 8.300 nan 0.000 0.476 167 E N -0.121 120.087 120.200 0.013 0.000 2.047 167 E HA -0.180 3.558 4.350 -1.020 0.000 0.191 167 E C 2.377 178.900 176.600 -0.129 0.000 0.987 167 E CA 2.077 58.414 56.400 -0.106 0.000 0.799 167 E CB -1.256 28.457 29.700 0.022 0.000 0.752 167 E HN 0.586 nan 8.360 nan 0.000 0.449 168 T N -0.429 114.091 114.554 -0.057 0.000 2.915 168 T HA -0.098 3.640 4.350 -1.020 0.000 0.269 168 T C 2.070 176.732 174.700 -0.063 0.000 1.071 168 T CA 1.566 63.639 62.100 -0.044 0.000 1.132 168 T CB -0.290 68.573 68.868 -0.008 0.000 0.878 168 T HN 0.131 nan 8.240 nan 0.000 0.479 169 S N 0.727 116.375 115.700 -0.087 0.000 2.489 169 S HA 0.332 4.190 4.470 -1.020 0.000 0.228 169 S C 2.083 176.607 174.600 -0.126 0.000 0.995 169 S CA 0.646 58.794 58.200 -0.086 0.000 0.934 169 S CB -0.915 62.242 63.200 -0.072 0.000 0.771 169 S HN 1.368 nan 8.310 nan 0.000 0.522 170 G N 0.959 109.639 108.800 -0.199 0.000 2.159 170 G HA2 -0.116 3.232 3.960 -1.020 0.000 0.256 170 G HA3 -0.116 3.232 3.960 -1.020 0.000 0.256 170 G C 0.282 175.039 174.900 -0.238 0.000 0.977 170 G CA 0.053 45.039 45.100 -0.191 0.000 0.652 170 G HN 1.350 nan 8.290 nan 0.000 0.531 171 A N 0.410 123.017 122.820 -0.355 0.000 2.531 171 A HA 0.535 4.243 4.320 -1.020 0.000 0.236 171 A C 1.146 178.556 177.584 -0.290 0.000 1.062 171 A CA 1.261 53.130 52.037 -0.281 0.000 0.760 171 A CB 0.155 19.032 19.000 -0.205 0.000 0.995 171 A HN 1.254 nan 8.150 nan 0.000 0.501 172 E N 0.978 121.180 120.200 0.004 0.000 2.526 172 E HA 0.405 4.143 4.350 -1.020 0.000 0.208 172 E C -0.407 176.361 176.600 0.279 0.000 0.997 172 E CA -0.295 56.201 56.400 0.161 0.000 0.961 172 E CB 0.259 30.056 29.700 0.163 0.000 1.030 172 E HN 0.412 nan 8.360 nan 0.000 0.483 173 L N 0.991 122.340 121.223 0.210 0.000 2.493 173 L HA 0.413 4.141 4.340 -1.020 0.000 0.265 173 L C -1.735 175.159 176.870 0.040 0.000 0.954 173 L CA -0.915 53.910 54.840 -0.024 0.000 0.844 173 L CB 2.389 44.218 42.059 -0.385 0.000 1.302 173 L HN -0.085 nan 8.230 nan 0.000 0.405 174 V N 6.130 126.011 119.914 -0.055 0.000 2.398 174 V HA 0.508 4.016 4.120 -1.020 0.000 0.286 174 V C 0.060 176.026 176.094 -0.213 0.000 1.026 174 V CA -0.326 61.901 62.300 -0.121 0.000 0.868 174 V CB 1.546 33.240 31.823 -0.215 0.000 0.982 174 V HN 0.598 nan 8.190 nan 0.000 0.443 175 I N 5.840 126.277 120.570 -0.220 0.000 2.339 175 I HA 0.360 3.918 4.170 -1.020 0.000 0.290 175 I C -0.325 175.655 176.117 -0.229 0.000 0.994 175 I CA -0.409 60.753 61.300 -0.229 0.000 1.191 175 I CB 1.445 39.320 38.000 -0.209 0.000 1.343 175 I HN 0.376 nan 8.210 nan 0.000 0.458 176 L N 6.891 127.992 121.223 -0.204 0.000 2.328 176 L HA 0.379 4.107 4.340 -1.020 0.000 0.280 176 L C 0.760 177.565 176.870 -0.108 0.000 1.111 176 L CA -0.340 54.412 54.840 -0.147 0.000 0.909 176 L CB 0.598 42.605 42.059 -0.087 0.000 1.277 176 L HN 0.683 nan 8.230 nan 0.000 0.433 177 A N 4.690 127.442 122.820 -0.113 0.000 3.056 177 A HA 0.300 4.008 4.320 -1.020 0.000 0.274 177 A C 0.662 178.186 177.584 -0.101 0.000 1.661 177 A CA -0.418 51.541 52.037 -0.130 0.000 1.363 177 A CB -0.424 18.478 19.000 -0.164 0.000 1.139 177 A HN 0.696 nan 8.150 nan 0.000 0.598 178 R N -1.021 119.440 120.500 -0.065 0.000 3.336 178 R HA -0.211 3.517 4.340 -1.020 0.000 0.260 178 R C -0.409 175.923 176.300 0.055 0.000 1.032 178 R CA 0.755 56.843 56.100 -0.020 0.000 0.693 178 R CB -2.850 27.403 30.300 -0.079 0.000 1.134 178 R HN 0.770 nan 8.270 nan 0.000 0.433 182 V N 2.842 122.763 119.914 0.010 0.000 2.508 182 V HA 0.171 3.679 4.120 -1.020 0.000 0.281 182 V C 0.401 176.575 176.094 0.133 0.000 1.041 182 V CA -0.496 61.846 62.300 0.070 0.000 1.016 182 V CB 0.267 32.119 31.823 0.048 0.000 0.984 182 V HN 0.522 nan 8.190 nan 0.000 0.478 183 L N 5.303 126.631 121.223 0.175 0.000 2.416 183 L HA 0.231 3.959 4.340 -1.020 0.000 0.272 183 L C 1.027 177.970 176.870 0.121 0.000 1.161 183 L CA 0.869 55.835 54.840 0.210 0.000 0.845 183 L CB 0.989 43.190 42.059 0.237 0.000 1.119 183 L HN 0.931 nan 8.230 nan 0.000 0.464 184 S N 3.819 119.574 115.700 0.091 0.000 2.580 184 S HA 0.200 4.058 4.470 -1.020 0.000 0.266 184 S C -1.758 172.861 174.600 0.032 0.000 1.354 184 S CA -0.790 57.436 58.200 0.043 0.000 1.008 184 S CB 0.283 63.487 63.200 0.008 0.000 0.898 184 S HN 0.536 nan 8.310 nan 0.000 0.555 185 P HA -0.029 nan 4.420 nan 0.000 0.218 185 P C 1.010 178.309 177.300 -0.000 0.000 1.149 185 P CA 1.127 64.236 63.100 0.016 0.000 0.817 185 P CB 0.005 31.712 31.700 0.012 0.000 0.785 186 E N -0.123 120.066 120.200 -0.018 0.000 2.028 186 E HA -0.123 3.615 4.350 -1.020 0.000 0.191 186 E C 2.177 178.742 176.600 -0.059 0.000 0.988 186 E CA 1.582 57.958 56.400 -0.041 0.000 0.799 186 E CB -1.358 28.306 29.700 -0.059 0.000 0.755 186 E HN 0.102 nan 8.360 nan 0.000 0.447 187 A N 0.644 123.423 122.820 -0.070 0.000 1.902 187 A HA -0.210 3.498 4.320 -1.020 0.000 0.217 187 A C 2.328 179.895 177.584 -0.028 0.000 1.181 187 A CA 1.986 53.965 52.037 -0.097 0.000 0.623 187 A CB -0.730 18.220 19.000 -0.083 0.000 0.818 187 A HN 0.222 nan 8.150 nan 0.000 0.443 188 S N 0.239 115.949 115.700 0.018 0.000 2.368 188 S HA -0.057 3.801 4.470 -1.020 0.000 0.225 188 S C 2.296 176.904 174.600 0.012 0.000 1.030 188 S CA 1.225 59.445 58.200 0.035 0.000 0.999 188 S CB -0.564 62.669 63.200 0.055 0.000 0.844 188 S HN 0.821 nan 8.310 nan 0.000 0.459 189 A N 1.818 124.638 122.820 0.001 0.000 1.902 189 A HA -0.110 3.598 4.320 -1.020 0.000 0.217 189 A C 2.118 179.694 177.584 -0.013 0.000 1.181 189 A CA 1.686 53.722 52.037 -0.002 0.000 0.623 189 A CB -0.549 18.449 19.000 -0.004 0.000 0.818 189 A HN 0.429 nan 8.150 nan 0.000 0.443 190 R N -0.639 119.841 120.500 -0.033 0.000 2.115 190 R HA 0.068 3.796 4.340 -1.020 0.000 0.230 190 R C 0.932 177.207 176.300 -0.042 0.000 1.111 190 R CA 1.041 57.119 56.100 -0.037 0.000 0.976 190 R CB -0.216 30.041 30.300 -0.071 0.000 0.870 190 R HN 0.497 nan 8.270 nan 0.000 0.445 191 L N 0.909 122.087 121.223 -0.074 0.000 2.741 191 L HA 0.352 4.080 4.340 -1.020 0.000 0.237 191 L C 0.154 177.010 176.870 -0.025 0.000 1.178 191 L CA -0.658 54.119 54.840 -0.105 0.000 0.973 191 L CB 0.526 42.482 42.059 -0.171 0.000 1.255 191 L HN 0.102 nan 8.230 nan 0.000 0.498 192 A N 0.652 123.469 122.820 -0.005 0.000 2.546 192 A HA 0.071 3.779 4.320 -1.020 0.000 0.243 192 A C 0.968 178.533 177.584 -0.033 0.000 1.063 192 A CA 0.140 52.174 52.037 -0.005 0.000 0.757 192 A CB -0.120 18.878 19.000 -0.004 0.000 0.991 192 A HN 0.659 nan 8.150 nan 0.000 0.503 193 N N 0.660 119.291 118.700 -0.115 0.000 2.815 193 N HA -0.184 3.944 4.740 -1.020 0.000 0.247 193 N C 0.334 175.832 175.510 -0.020 0.000 1.030 193 N CA 1.930 54.785 53.050 -0.325 0.000 0.881 193 N CB -0.756 37.572 38.487 -0.265 0.000 1.134 193 N HN 0.841 nan 8.380 nan 0.000 0.582 194 R N -0.728 119.828 120.500 0.092 0.000 2.616 194 R HA 0.536 4.264 4.340 -1.020 0.000 0.427 194 R C -0.350 175.949 176.300 -0.001 0.000 1.030 194 R CA 0.366 56.541 56.100 0.126 0.000 1.133 194 R CB 1.063 31.466 30.300 0.172 0.000 1.444 194 R HN 0.204 nan 8.270 nan 0.000 0.578 195 A N 1.119 123.979 122.820 0.068 0.000 2.427 195 A HA 0.621 4.329 4.320 -1.020 0.000 0.298 195 A C -0.865 176.696 177.584 -0.038 0.000 1.036 195 A CA -0.546 51.462 52.037 -0.047 0.000 0.701 195 A CB 1.213 20.177 19.000 -0.061 0.000 1.250 195 A HN 0.157 nan 8.150 nan 0.000 0.412 196 I N 2.175 122.617 120.570 -0.214 0.000 2.433 196 I HA 0.338 3.896 4.170 -1.020 0.000 0.292 196 I C -0.287 175.638 176.117 -0.321 0.000 1.001 196 I CA -0.653 60.444 61.300 -0.338 0.000 1.119 196 I CB 2.174 39.928 38.000 -0.410 0.000 1.289 196 I HN 0.769 nan 8.210 nan 0.000 0.438 197 N N 5.294 123.724 118.700 -0.449 0.000 2.404 197 N HA 0.685 4.813 4.740 -1.020 0.000 0.297 197 N C -1.491 173.816 175.510 -0.340 0.000 1.163 197 N CA -0.484 52.331 53.050 -0.391 0.000 0.864 197 N CB 1.928 40.144 38.487 -0.452 0.000 1.247 197 N HN 0.500 nan 8.380 nan 0.000 0.510 198 I N 1.392 121.870 120.570 -0.153 0.000 2.582 198 I HA 0.520 4.078 4.170 -1.020 0.000 0.292 198 I C -1.351 174.775 176.117 0.014 0.000 1.066 198 I CA -0.270 60.965 61.300 -0.108 0.000 1.053 198 I CB 1.385 39.325 38.000 -0.099 0.000 1.241 198 I HN 0.909 nan 8.210 nan 0.000 0.421 199 H N 4.156 123.233 119.070 0.011 0.000 3.017 199 H HA 0.535 4.478 4.556 -1.021 0.000 0.346 199 H C -1.241 174.062 175.328 -0.042 0.000 1.286 199 H CA -0.904 55.106 56.048 -0.064 0.000 1.120 199 H CB 0.764 30.486 29.762 -0.066 0.000 1.860 199 H HN 0.641 nan 8.280 nan 0.000 0.542 200 H N 0.566 119.770 119.070 0.224 0.000 2.690 200 H HA 0.652 4.597 4.556 -1.018 0.000 0.365 200 H C -0.883 174.431 175.328 -0.023 0.000 1.142 200 H CA -0.505 55.542 56.048 -0.002 0.000 1.417 200 H CB 0.779 30.498 29.762 -0.071 0.000 1.446 200 H HN 0.498 nan 8.280 nan 0.000 0.599 201 S N 1.481 117.081 115.700 -0.165 0.000 2.547 201 S HA 0.460 4.318 4.470 -1.020 0.000 0.281 201 S C -1.318 173.015 174.600 -0.445 0.000 1.118 201 S CA -0.682 57.437 58.200 -0.134 0.000 0.947 201 S CB 1.025 64.199 63.200 -0.043 0.000 1.053 201 S HN 0.490 nan 8.310 nan 0.000 0.482 202 F N 1.372 121.352 119.950 0.050 0.000 2.577 202 F HA 0.630 4.545 4.527 -1.021 0.000 0.318 202 F C -0.513 175.241 175.800 -0.075 0.000 1.065 202 F CA -0.921 57.088 58.000 0.016 0.000 0.929 202 F CB 1.300 40.355 39.000 0.092 0.000 1.237 202 F HN 0.239 nan 8.300 nan 0.000 0.468 203 L N 4.391 125.696 121.223 0.136 0.000 2.345 203 L HA 0.453 4.181 4.340 -1.020 0.000 0.274 203 L C -2.253 174.603 176.870 -0.024 0.000 0.999 203 L CA -1.774 53.070 54.840 0.007 0.000 0.849 203 L CB 1.537 43.607 42.059 0.018 0.000 1.220 203 L HN 0.374 nan 8.230 nan 0.000 0.422 204 P HA 0.157 nan 4.420 nan 0.000 0.275 204 P C 0.103 177.040 177.300 -0.604 0.000 1.266 204 P CA -0.293 62.606 63.100 -0.335 0.000 0.793 204 P CB 0.693 32.187 31.700 -0.343 0.000 1.074 205 G N -0.461 108.089 108.800 -0.418 0.000 2.491 205 G HA2 0.405 3.753 3.960 -1.020 0.000 0.242 205 G HA3 0.405 3.753 3.960 -1.020 0.000 0.242 205 G C -1.164 173.365 174.900 -0.618 0.000 1.266 205 G CA -0.226 44.683 45.100 -0.319 0.000 0.844 205 G HN 0.263 nan 8.290 nan 0.000 0.571 206 F N 0.380 120.301 119.950 -0.049 0.000 2.507 206 F HA 0.437 4.352 4.527 -1.021 0.000 0.328 206 F C 0.557 176.297 175.800 -0.102 0.000 1.136 206 F CA -0.790 57.105 58.000 -0.174 0.000 0.930 206 F CB 2.376 41.099 39.000 -0.462 0.000 1.166 206 F HN 0.227 nan 8.300 nan 0.000 0.436 207 K N 1.519 121.980 120.400 0.101 0.000 2.123 207 K HA 0.790 4.498 4.320 -1.020 0.000 0.248 207 K C 0.442 177.069 176.600 0.045 0.000 0.969 207 K CA -0.403 55.921 56.287 0.062 0.000 0.882 207 K CB 1.731 34.252 32.500 0.034 0.000 1.080 207 K HN 0.841 nan 8.250 nan 0.000 0.441 208 G N 0.580 109.402 108.800 0.038 0.000 2.584 208 G HA2 -0.182 3.166 3.960 -1.020 0.000 0.229 208 G HA3 -0.182 3.166 3.960 -1.020 0.000 0.229 208 G C -0.539 174.371 174.900 0.016 0.000 1.320 208 G CA -0.438 44.676 45.100 0.023 0.000 0.891 208 G HN 0.798 nan 8.290 nan 0.000 0.573 209 A N -0.152 122.668 122.820 -0.000 0.000 2.445 209 A HA 0.585 4.293 4.320 -1.020 0.000 0.242 209 A C 1.136 178.700 177.584 -0.034 0.000 1.075 209 A CA 1.212 53.245 52.037 -0.008 0.000 0.777 209 A CB 0.042 19.028 19.000 -0.022 0.000 1.013 209 A HN 1.774 nan 8.150 nan 0.000 0.493 210 K N 0.590 120.985 120.400 -0.008 0.000 3.689 210 K HA -0.135 3.573 4.320 -1.020 0.000 0.276 210 K C -1.947 174.623 176.600 -0.050 0.000 0.932 210 K CA 0.908 57.203 56.287 0.015 0.000 0.758 210 K CB -1.440 30.985 32.500 -0.124 0.000 1.500 210 K HN 0.690 nan 8.250 nan 0.000 0.448 211 P HA -0.166 nan 4.420 nan 0.000 0.220 211 P C 1.195 178.035 177.300 -0.767 0.000 1.148 211 P CA 1.180 63.960 63.100 -0.533 0.000 0.803 211 P CB -0.014 31.325 31.700 -0.601 0.000 0.782 212 Y N -0.278 119.876 120.300 -0.243 0.000 2.293 212 Y HA -0.146 3.791 4.550 -1.021 0.000 0.291 212 Y C 2.698 178.466 175.900 -0.220 0.000 1.137 212 Y CA 1.413 59.409 58.100 -0.173 0.000 1.202 212 Y CB -1.428 37.020 38.460 -0.020 0.000 0.990 212 Y HN 0.120 nan 8.280 nan 0.000 0.537 213 H N -0.779 118.247 119.070 -0.075 0.000 2.357 213 H HA -0.118 3.826 4.556 -1.021 0.000 0.301 213 H C 2.024 177.231 175.328 -0.202 0.000 1.082 213 H CA 1.678 57.673 56.048 -0.089 0.000 1.342 213 H CB -0.191 29.525 29.762 -0.077 0.000 1.389 213 H HN 0.374 nan 8.280 nan 0.000 0.511 214 Q N -0.030 119.586 119.800 -0.306 0.000 2.084 214 Q HA -0.107 3.621 4.340 -1.020 0.000 0.202 214 Q C 2.581 177.989 176.000 -0.985 0.000 0.978 214 Q CA 1.131 56.561 55.803 -0.622 0.000 0.844 214 Q CB -0.113 28.121 28.738 -0.840 0.000 0.898 214 Q HN 0.509 nan 8.270 nan 0.000 0.426 215 A N 1.125 123.249 122.820 -1.160 0.000 1.877 215 A HA -0.258 3.449 4.320 -1.020 0.000 0.216 215 A C 1.991 179.446 177.584 -0.215 0.000 1.186 215 A CA 1.695 53.289 52.037 -0.739 0.000 0.620 215 A CB -0.949 17.839 19.000 -0.354 0.000 0.822 215 A HN 0.481 nan 8.150 nan 0.000 0.443 216 H N 0.094 119.041 119.070 -0.204 0.000 2.319 216 H HA -0.107 3.837 4.556 -1.020 0.000 0.299 216 H C 2.237 177.523 175.328 -0.071 0.000 1.092 216 H CA 1.947 57.941 56.048 -0.091 0.000 1.302 216 H CB -0.235 29.467 29.762 -0.099 0.000 1.373 216 H HN 0.397 nan 8.280 nan 0.000 0.497 217 A N 0.832 123.610 122.820 -0.070 0.000 2.015 217 A HA -0.132 3.576 4.320 -1.020 0.000 0.219 217 A C 2.395 179.922 177.584 -0.095 0.000 1.163 217 A CA 1.396 53.390 52.037 -0.073 0.000 0.646 217 A CB -0.380 18.617 19.000 -0.004 0.000 0.806 217 A HN 0.289 nan 8.150 nan 0.000 0.448 218 R N -0.345 120.103 120.500 -0.087 0.000 2.275 218 R HA 0.116 3.844 4.340 -1.020 0.000 0.199 218 R C 1.125 177.430 176.300 0.009 0.000 0.989 218 R CA 0.410 56.522 56.100 0.021 0.000 1.016 218 R CB -1.107 29.312 30.300 0.199 0.000 0.918 218 R HN 0.812 nan 8.270 nan 0.000 0.473 219 G N 0.922 109.683 108.800 -0.066 0.000 2.295 219 G HA2 -0.255 3.093 3.960 -1.020 0.000 0.287 219 G HA3 -0.255 3.093 3.960 -1.020 0.000 0.287 219 G C 0.167 175.077 174.900 0.017 0.000 1.055 219 G CA 0.373 45.440 45.100 -0.055 0.000 0.922 219 G HN 0.498 nan 8.290 nan 0.000 0.503 220 V N -2.961 116.987 119.914 0.057 0.000 2.963 220 V HA 0.614 4.122 4.120 -1.020 0.000 0.306 220 V C 1.048 177.167 176.094 0.043 0.000 1.077 220 V CA 0.105 62.463 62.300 0.096 0.000 1.124 220 V CB 1.325 33.267 31.823 0.199 0.000 0.987 220 V HN 0.155 nan 8.190 nan 0.000 0.487 221 K N 3.031 123.449 120.400 0.030 0.000 2.387 221 K HA 0.517 4.225 4.320 -1.020 0.000 0.203 221 K C -0.428 176.151 176.600 -0.034 0.000 1.030 221 K CA 0.180 56.459 56.287 -0.013 0.000 1.099 221 K CB 0.308 32.809 32.500 0.001 0.000 0.863 221 K HN 0.723 nan 8.250 nan 0.000 0.529 222 L N 0.958 122.181 121.223 0.001 0.000 2.434 222 L HA 0.533 4.261 4.340 -1.020 0.000 0.260 222 L C -0.979 175.909 176.870 0.030 0.000 0.983 222 L CA -0.988 53.847 54.840 -0.007 0.000 0.820 222 L CB 2.153 44.214 42.059 0.003 0.000 1.361 222 L HN -0.222 nan 8.230 nan 0.000 0.410 223 I N 1.049 121.615 120.570 -0.007 0.000 2.533 223 I HA 0.656 4.214 4.170 -1.020 0.000 0.290 223 I C 0.166 176.238 176.117 -0.075 0.000 1.056 223 I CA -0.164 61.129 61.300 -0.012 0.000 1.057 223 I CB 1.759 39.785 38.000 0.044 0.000 1.240 223 I HN 0.701 nan 8.210 nan 0.000 0.423 224 G N 3.526 112.227 108.800 -0.164 0.000 3.042 224 G HA2 0.919 4.266 3.960 -1.020 0.000 0.278 224 G HA3 0.919 4.266 3.960 -1.020 0.000 0.278 224 G C -1.660 173.158 174.900 -0.136 0.000 1.371 224 G CA -0.626 44.399 45.100 -0.126 0.000 1.009 224 G HN 0.801 nan 8.290 nan 0.000 0.523 225 A N -1.027 121.735 122.820 -0.096 0.000 2.594 225 A HA 0.843 4.551 4.320 -1.020 0.000 0.295 225 A C -0.783 176.715 177.584 -0.143 0.000 1.071 225 A CA -0.514 51.462 52.037 -0.102 0.000 0.685 225 A CB 1.702 20.669 19.000 -0.055 0.000 1.285 225 A HN 0.878 nan 8.150 nan 0.000 0.405 226 T N 1.229 115.624 114.554 -0.267 0.000 2.879 226 T HA 0.677 4.415 4.350 -1.020 0.000 0.290 226 T C -0.234 174.304 174.700 -0.270 0.000 0.993 226 T CA 0.182 62.118 62.100 -0.272 0.000 0.975 226 T CB 1.497 70.173 68.868 -0.321 0.000 0.981 226 T HN 1.440 nan 8.240 nan 0.000 0.439 227 A N 3.518 126.248 122.820 -0.150 0.000 2.305 227 A HA 0.839 4.547 4.320 -1.020 0.000 0.322 227 A C -0.460 177.069 177.584 -0.091 0.000 1.187 227 A CA -0.575 51.368 52.037 -0.157 0.000 0.825 227 A CB 0.154 19.045 19.000 -0.182 0.000 1.164 227 A HN 1.103 nan 8.150 nan 0.000 0.498 228 H N -0.976 117.977 119.070 -0.194 0.000 3.037 228 H HA 0.697 4.642 4.556 -1.019 0.000 0.355 228 H C -1.455 173.775 175.328 -0.163 0.000 1.263 228 H CA -1.065 54.895 56.048 -0.148 0.000 1.129 228 H CB 0.365 30.121 29.762 -0.010 0.000 1.861 228 H HN 0.347 nan 8.280 nan 0.000 0.546 229 F N 1.043 121.038 119.950 0.074 0.000 2.459 229 F HA 0.288 4.200 4.527 -1.024 0.000 0.346 229 F C 0.398 176.266 175.800 0.114 0.000 1.128 229 F CA -0.380 57.638 58.000 0.030 0.000 1.268 229 F CB 0.867 39.914 39.000 0.078 0.000 1.161 229 F HN 0.343 nan 8.300 nan 0.000 0.583 230 V N 2.642 122.698 119.914 0.237 0.000 2.555 230 V HA 0.354 3.862 4.120 -1.020 0.000 0.286 230 V C 0.311 176.521 176.094 0.194 0.000 1.044 230 V CA -0.118 62.294 62.300 0.187 0.000 1.026 230 V CB 0.782 32.658 31.823 0.088 0.000 0.981 230 V HN 0.971 nan 8.190 nan 0.000 0.480 231 T N 0.043 114.713 114.554 0.192 0.000 2.742 231 T HA 0.368 4.106 4.350 -1.020 0.000 0.282 231 T C 0.481 175.244 174.700 0.105 0.000 1.025 231 T CA -0.649 61.528 62.100 0.130 0.000 1.020 231 T CB 1.487 70.427 68.868 0.120 0.000 1.317 231 T HN 0.368 nan 8.240 nan 0.000 0.538 232 D N 0.563 121.008 120.400 0.075 0.000 2.178 232 D HA -0.002 4.026 4.640 -1.020 0.000 0.202 232 D C 0.094 176.427 176.300 0.056 0.000 0.974 232 D CA 0.968 55.004 54.000 0.059 0.000 0.841 232 D CB -0.237 40.589 40.800 0.043 0.000 0.953 232 D HN 0.548 nan 8.370 nan 0.000 0.478 233 D N 1.682 122.115 120.400 0.056 0.000 2.398 233 D HA 0.002 4.030 4.640 -1.020 0.000 0.250 233 D C 0.437 176.761 176.300 0.039 0.000 1.287 233 D CA -0.306 53.717 54.000 0.038 0.000 0.992 233 D CB 0.512 41.330 40.800 0.030 0.000 1.071 233 D HN 0.007 nan 8.370 nan 0.000 0.514 234 L N 4.183 125.426 121.223 0.033 0.000 2.806 234 L HA -0.178 3.550 4.340 -1.020 0.000 0.282 234 L C 0.380 177.241 176.870 -0.016 0.000 1.166 234 L CA 0.472 55.329 54.840 0.029 0.000 0.969 234 L CB -0.484 41.582 42.059 0.013 0.000 1.304 234 L HN 0.353 nan 8.230 nan 0.000 0.474 235 D N 2.556 122.975 120.400 0.033 0.000 3.059 235 D HA -0.197 3.831 4.640 -1.020 0.000 0.220 235 D C 0.303 176.398 176.300 -0.341 0.000 1.169 235 D CA 1.373 55.324 54.000 -0.083 0.000 0.902 235 D CB -0.452 40.145 40.800 -0.337 0.000 1.116 235 D HN 0.771 nan 8.370 nan 0.000 0.417 236 E N -0.668 119.386 120.200 -0.244 0.000 2.812 236 E HA 0.290 4.028 4.350 -1.020 0.000 0.211 236 E C 1.138 177.670 176.600 -0.114 0.000 0.986 236 E CA 0.130 56.415 56.400 -0.192 0.000 1.119 236 E CB 0.482 30.136 29.700 -0.077 0.000 1.046 236 E HN 0.303 nan 8.360 nan 0.000 0.474 237 G N 2.181 110.930 108.800 -0.086 0.000 2.588 237 G HA2 0.267 3.615 3.960 -1.020 0.000 0.278 237 G HA3 0.267 3.615 3.960 -1.020 0.000 0.278 237 G C -2.454 172.552 174.900 0.175 0.000 1.307 237 G CA -1.008 44.185 45.100 0.155 0.000 1.016 237 G HN -0.121 nan 8.290 nan 0.000 0.503 238 P HA 0.066 nan 4.420 nan 0.000 0.261 238 P C -0.061 177.379 177.300 0.234 0.000 1.183 238 P CA 0.287 63.530 63.100 0.238 0.000 0.761 238 P CB 0.337 32.219 31.700 0.305 0.000 0.785 239 I N 4.292 124.944 120.570 0.136 0.000 2.533 239 I HA 0.019 3.577 4.170 -1.020 0.000 0.284 239 I C 1.711 177.856 176.117 0.045 0.000 1.109 239 I CA 0.293 61.642 61.300 0.082 0.000 1.412 239 I CB 0.416 38.437 38.000 0.035 0.000 1.396 239 I HN 0.385 nan 8.210 nan 0.000 0.543 240 I N 3.666 124.220 120.570 -0.027 0.000 2.729 240 I HA 0.101 3.659 4.170 -1.020 0.000 0.256 240 I C 0.583 176.662 176.117 -0.064 0.000 1.115 240 I CA 0.602 61.855 61.300 -0.078 0.000 1.446 240 I CB 0.235 38.098 38.000 -0.228 0.000 1.176 240 I HN 0.545 nan 8.210 nan 0.000 0.446 241 E N 0.464 120.621 120.200 -0.072 0.000 2.372 241 E HA 0.411 4.149 4.350 -1.020 0.000 0.279 241 E C -1.537 175.024 176.600 -0.065 0.000 0.946 241 E CA -0.527 55.835 56.400 -0.063 0.000 0.769 241 E CB 1.589 31.250 29.700 -0.066 0.000 1.230 241 E HN 0.060 nan 8.360 nan 0.000 0.442 242 Q N 1.338 121.106 119.800 -0.054 0.000 2.331 242 Q HA 0.728 4.456 4.340 -1.020 0.000 0.272 242 Q C -1.334 174.638 176.000 -0.047 0.000 1.062 242 Q CA -1.114 54.656 55.803 -0.056 0.000 0.806 242 Q CB 2.750 31.461 28.738 -0.045 0.000 1.312 242 Q HN 0.337 nan 8.270 nan 0.000 0.431 243 V N 1.735 121.619 119.914 -0.050 0.000 2.841 243 V HA 0.682 4.190 4.120 -1.020 0.000 0.310 243 V C -0.596 175.473 176.094 -0.043 0.000 1.090 243 V CA -0.841 61.435 62.300 -0.040 0.000 0.930 243 V CB 2.129 33.931 31.823 -0.035 0.000 1.014 243 V HN 0.635 nan 8.190 nan 0.000 0.425 244 V N 0.893 120.786 119.914 -0.036 0.000 3.040 244 V HA 0.875 4.383 4.120 -1.020 0.000 0.312 244 V C -0.917 175.157 176.094 -0.034 0.000 1.115 244 V CA -0.644 61.634 62.300 -0.038 0.000 0.998 244 V CB 2.170 33.973 31.823 -0.033 0.000 1.042 244 V HN 0.954 nan 8.190 nan 0.000 0.433 245 E N 1.033 121.209 120.200 -0.040 0.000 2.272 245 E HA 0.497 4.235 4.350 -1.020 0.000 0.269 245 E C -0.831 175.728 176.600 -0.069 0.000 0.877 245 E CA -0.957 55.416 56.400 -0.044 0.000 0.755 245 E CB 2.336 32.012 29.700 -0.039 0.000 1.192 245 E HN 0.845 nan 8.360 nan 0.000 0.422 246 R N 2.692 123.150 120.500 -0.070 0.000 2.438 246 R HA 0.338 4.066 4.340 -1.020 0.000 0.287 246 R C -0.455 175.726 176.300 -0.200 0.000 1.077 246 R CA -0.246 55.797 56.100 -0.095 0.000 1.034 246 R CB 0.477 30.744 30.300 -0.056 0.000 0.993 246 R HN 0.340 nan 8.270 nan 0.000 0.459 247 V N 0.159 119.903 119.914 -0.284 0.000 3.158 247 V HA 0.683 4.191 4.120 -1.020 0.000 0.311 247 V C -1.140 174.746 176.094 -0.348 0.000 1.181 247 V CA -0.870 61.049 62.300 -0.636 0.000 1.054 247 V CB 2.103 33.455 31.823 -0.785 0.000 1.085 247 V HN 0.993 nan 8.190 nan 0.000 0.446 248 D N -1.496 118.719 120.400 -0.309 0.000 2.798 248 D HA 0.324 4.352 4.640 -1.020 0.000 0.308 248 D C 0.994 177.267 176.300 -0.044 0.000 1.187 248 D CA 0.136 54.071 54.000 -0.109 0.000 1.033 248 D CB 0.243 40.950 40.800 -0.155 0.000 1.445 248 D HN 0.822 nan 8.370 nan 0.000 0.550 249 H N -0.939 118.188 119.070 0.095 0.000 2.518 249 H HA -0.067 3.877 4.556 -1.020 0.000 0.292 249 H C 1.079 176.489 175.328 0.136 0.000 1.068 249 H CA 1.609 57.702 56.048 0.074 0.000 1.275 249 H CB -0.334 29.449 29.762 0.035 0.000 1.375 249 H HN 0.332 nan 8.280 nan 0.000 0.563 250 S N -0.317 115.310 115.700 -0.121 0.000 2.562 250 S HA -0.035 3.823 4.470 -1.020 0.000 0.221 250 S C 0.169 174.800 174.600 0.051 0.000 0.975 250 S CA -0.545 57.662 58.200 0.012 0.000 0.918 250 S CB -0.596 62.528 63.200 -0.127 0.000 0.772 250 S HN 0.259 nan 8.310 nan 0.000 0.531 251 Y N 4.428 124.718 120.300 -0.016 0.000 2.436 251 Y HA 0.373 4.311 4.550 -1.020 0.000 0.343 251 Y C 1.058 177.005 175.900 0.079 0.000 1.008 251 Y CA -1.347 56.759 58.100 0.009 0.000 1.241 251 Y CB 0.489 38.951 38.460 0.003 0.000 1.153 251 Y HN 0.298 nan 8.280 nan 0.000 0.521 252 R N 4.272 124.817 120.500 0.076 0.000 2.649 252 R HA 0.301 4.029 4.340 -1.020 0.000 0.270 252 R C -2.215 174.002 176.300 -0.139 0.000 1.105 252 R CA -1.524 54.517 56.100 -0.098 0.000 1.193 252 R CB -0.041 30.161 30.300 -0.164 0.000 1.120 252 R HN 0.263 nan 8.270 nan 0.000 0.561 253 P HA -0.246 nan 4.420 nan 0.000 0.216 253 P C 0.677 177.830 177.300 -0.244 0.000 1.154 253 P CA 1.607 64.490 63.100 -0.361 0.000 0.865 253 P CB 0.011 31.161 31.700 -0.916 0.000 0.789 254 E N -0.135 119.932 120.200 -0.221 0.000 2.274 254 E HA -0.179 3.559 4.350 -1.020 0.000 0.194 254 E C 1.795 178.308 176.600 -0.145 0.000 0.996 254 E CA 1.060 57.360 56.400 -0.166 0.000 0.840 254 E CB -0.928 28.703 29.700 -0.114 0.000 0.772 254 E HN 0.451 nan 8.360 nan 0.000 0.491 255 Q N 0.419 120.165 119.800 -0.090 0.000 2.212 255 Q HA 0.111 3.839 4.340 -1.020 0.000 0.199 255 Q C 2.493 178.537 176.000 0.072 0.000 0.950 255 Q CA 0.531 56.323 55.803 -0.019 0.000 0.863 255 Q CB 0.003 28.720 28.738 -0.036 0.000 0.944 255 Q HN 0.250 nan 8.270 nan 0.000 0.465 256 L N 0.364 121.625 121.223 0.063 0.000 2.046 256 L HA -0.198 3.530 4.340 -1.020 0.000 0.208 256 L C 2.361 179.074 176.870 -0.263 0.000 1.077 256 L CA 0.581 55.453 54.840 0.052 0.000 0.747 256 L CB -0.478 41.698 42.059 0.195 0.000 0.896 256 L HN 0.269 nan 8.230 nan 0.000 0.432 257 L N 0.502 121.347 121.223 -0.631 0.000 2.012 257 L HA -0.188 3.540 4.340 -1.020 0.000 0.210 257 L C 2.664 179.227 176.870 -0.512 0.000 1.073 257 L CA 2.111 56.294 54.840 -1.095 0.000 0.748 257 L CB -0.758 40.875 42.059 -0.710 0.000 0.891 257 L HN 0.144 nan 8.230 nan 0.000 0.431 258 A N -1.043 121.608 122.820 -0.281 0.000 1.908 258 A HA -0.170 3.538 4.320 -1.020 0.000 0.218 258 A C 2.274 179.779 177.584 -0.131 0.000 1.181 258 A CA 2.185 54.114 52.037 -0.181 0.000 0.627 258 A CB -1.197 17.737 19.000 -0.110 0.000 0.818 258 A HN 0.354 nan 8.150 nan 0.000 0.445 259 V N -0.182 119.687 119.914 -0.074 0.000 2.307 259 V HA -0.165 3.343 4.120 -1.020 0.000 0.245 259 V C 2.841 178.916 176.094 -0.031 0.000 1.045 259 V CA 1.934 64.220 62.300 -0.023 0.000 1.024 259 V CB -1.480 30.348 31.823 0.009 0.000 0.651 259 V HN 0.616 nan 8.190 nan 0.000 0.449 260 G N -0.151 108.638 108.800 -0.019 0.000 2.440 260 G HA2 -0.261 3.086 3.960 -1.020 0.000 0.218 260 G HA3 -0.261 3.086 3.960 -1.020 0.000 0.218 260 G C 1.746 176.667 174.900 0.035 0.000 1.154 260 G CA 0.814 45.970 45.100 0.093 0.000 0.767 260 G HN 0.443 nan 8.290 nan 0.000 0.552 261 R N -0.110 120.324 120.500 -0.111 0.000 2.096 261 R HA -0.046 3.682 4.340 -1.020 0.000 0.235 261 R C 2.246 178.484 176.300 -0.103 0.000 1.127 261 R CA 1.267 57.202 56.100 -0.275 0.000 0.968 261 R CB -0.340 29.517 30.300 -0.740 0.000 0.861 261 R HN 0.301 nan 8.270 nan 0.000 0.440 262 D N 0.171 120.523 120.400 -0.081 0.000 2.117 262 D HA -0.111 3.917 4.640 -1.020 0.000 0.197 262 D C 1.735 178.034 176.300 -0.001 0.000 0.987 262 D CA 0.899 54.881 54.000 -0.030 0.000 0.829 262 D CB 0.166 40.945 40.800 -0.036 0.000 0.961 262 D HN -0.056 nan 8.370 nan 0.000 0.460 263 V N 0.564 120.477 119.914 -0.002 0.000 2.427 263 V HA -0.164 3.344 4.120 -1.020 0.000 0.248 263 V C 2.274 178.373 176.094 0.009 0.000 1.051 263 V CA 1.593 63.891 62.300 -0.003 0.000 1.048 263 V CB -0.492 31.323 31.823 -0.013 0.000 0.666 263 V HN 0.239 nan 8.190 nan 0.000 0.456 264 E N -0.554 119.672 120.200 0.043 0.000 2.058 264 E HA -0.244 3.494 4.350 -1.020 0.000 0.194 264 E C 2.318 178.946 176.600 0.046 0.000 0.997 264 E CA 1.829 58.265 56.400 0.061 0.000 0.801 264 E CB -0.337 29.461 29.700 0.163 0.000 0.746 264 E HN 0.608 nan 8.360 nan 0.000 0.450 265 C N 0.564 119.911 119.300 0.079 0.000 2.413 265 C HA -0.161 3.687 4.460 -1.020 0.000 0.277 265 C C 2.622 177.618 174.990 0.009 0.000 1.228 265 C CA 0.573 59.619 59.018 0.047 0.000 1.731 265 C CB -0.827 26.947 27.740 0.057 0.000 2.042 265 C HN 0.392 nan 8.230 nan 0.000 0.468 266 I N 0.577 121.150 120.570 0.005 0.000 2.286 266 I HA -0.189 3.369 4.170 -1.020 0.000 0.248 266 I C 2.489 178.596 176.117 -0.017 0.000 1.115 266 I CA 1.686 62.984 61.300 -0.004 0.000 1.392 266 I CB -0.713 37.284 38.000 -0.006 0.000 1.065 266 I HN 0.383 nan 8.210 nan 0.000 0.418 267 T N 1.097 115.635 114.554 -0.027 0.000 2.777 267 T HA -0.150 3.588 4.350 -1.020 0.000 0.266 267 T C 1.849 176.510 174.700 -0.065 0.000 1.040 267 T CA 1.161 63.232 62.100 -0.048 0.000 1.141 267 T CB -0.291 68.540 68.868 -0.061 0.000 0.868 267 T HN 0.172 nan 8.240 nan 0.000 0.444 268 L N 1.511 122.695 121.223 -0.065 0.000 2.056 268 L HA 0.162 3.890 4.340 -1.020 0.000 0.207 268 L C 2.626 179.453 176.870 -0.072 0.000 1.078 268 L CA 1.784 56.570 54.840 -0.089 0.000 0.749 268 L CB -1.067 40.937 42.059 -0.092 0.000 0.901 268 L HN 0.215 nan 8.230 nan 0.000 0.433 269 A N -0.406 122.389 122.820 -0.041 0.000 1.940 269 A HA -0.228 3.480 4.320 -1.020 0.000 0.219 269 A C 2.424 179.999 177.584 -0.015 0.000 1.176 269 A CA 1.836 53.862 52.037 -0.019 0.000 0.631 269 A CB -0.556 18.448 19.000 0.008 0.000 0.814 269 A HN 0.510 nan 8.150 nan 0.000 0.446 270 R N -0.695 119.792 120.500 -0.021 0.000 2.081 270 R HA -0.062 3.666 4.340 -1.020 0.000 0.235 270 R C 2.499 178.784 176.300 -0.026 0.000 1.131 270 R CA 1.190 57.280 56.100 -0.017 0.000 0.960 270 R CB -0.424 29.863 30.300 -0.022 0.000 0.856 270 R HN 0.523 nan 8.270 nan 0.000 0.436 271 A N 0.579 123.365 122.820 -0.056 0.000 1.873 271 A HA -0.089 3.619 4.320 -1.020 0.000 0.215 271 A C 2.337 179.895 177.584 -0.045 0.000 1.186 271 A CA 1.189 53.177 52.037 -0.082 0.000 0.616 271 A CB -0.482 18.422 19.000 -0.160 0.000 0.823 271 A HN 0.105 nan 8.150 nan 0.000 0.442 272 V N 0.297 120.179 119.914 -0.054 0.000 2.343 272 V HA -0.262 3.246 4.120 -1.020 0.000 0.247 272 V C 2.542 178.670 176.094 0.056 0.000 1.051 272 V CA 2.370 64.656 62.300 -0.024 0.000 1.036 272 V CB -0.621 31.165 31.823 -0.061 0.000 0.654 272 V HN 0.664 nan 8.190 nan 0.000 0.451 273 K N 0.142 120.562 120.400 0.034 0.000 2.057 273 K HA -0.180 3.528 4.320 -1.020 0.000 0.207 273 K C 2.192 178.825 176.600 0.054 0.000 1.049 273 K CA 1.561 57.874 56.287 0.044 0.000 0.931 273 K CB -0.308 32.209 32.500 0.029 0.000 0.714 273 K HN 0.435 nan 8.250 nan 0.000 0.440 274 A N 0.569 123.419 122.820 0.050 0.000 1.933 274 A HA -0.160 3.548 4.320 -1.020 0.000 0.218 274 A C 1.970 179.586 177.584 0.053 0.000 1.175 274 A CA 1.225 53.289 52.037 0.044 0.000 0.628 274 A CB -0.748 18.271 19.000 0.031 0.000 0.814 274 A HN 0.493 nan 8.150 nan 0.000 0.444 275 F N 1.455 121.379 119.950 -0.044 0.000 2.102 275 F HA -0.166 3.751 4.527 -1.016 0.000 0.298 275 F C 2.056 177.821 175.800 -0.058 0.000 1.105 275 F CA 1.980 59.960 58.000 -0.034 0.000 1.239 275 F CB -0.168 38.819 39.000 -0.021 0.000 0.991 275 F HN 0.349 nan 8.300 nan 0.000 0.474 276 I N -2.071 118.615 120.570 0.192 0.000 2.761 276 I HA -0.067 3.491 4.170 -1.020 0.000 0.261 276 I C 1.208 177.296 176.117 -0.049 0.000 1.198 276 I CA 1.274 62.621 61.300 0.078 0.000 1.482 276 I CB -0.723 37.344 38.000 0.112 0.000 1.100 276 I HN 0.164 nan 8.210 nan 0.000 0.445 277 E N 1.481 121.659 120.200 -0.035 0.000 2.476 277 E HA 0.075 3.813 4.350 -1.020 0.000 0.191 277 E C -0.259 176.299 176.600 -0.070 0.000 1.064 277 E CA -0.269 56.108 56.400 -0.038 0.000 0.866 277 E CB 0.165 29.868 29.700 0.005 0.000 0.952 277 E HN 0.311 nan 8.360 nan 0.000 0.492 278 R N 0.108 120.500 120.500 -0.180 0.000 3.336 278 R HA -0.215 3.513 4.340 -1.020 0.000 0.260 278 R C 0.164 176.383 176.300 -0.134 0.000 1.032 278 R CA 0.511 56.464 56.100 -0.246 0.000 0.693 278 R CB -2.466 27.741 30.300 -0.156 0.000 1.134 278 R HN 0.330 nan 8.270 nan 0.000 0.433 279 R N -0.106 120.342 120.500 -0.086 0.000 2.437 279 R HA 0.140 3.868 4.340 -1.020 0.000 0.257 279 R C 0.687 176.998 176.300 0.018 0.000 0.927 279 R CA 0.574 56.721 56.100 0.079 0.000 1.078 279 R CB 1.040 31.415 30.300 0.125 0.000 1.161 279 R HN 0.162 nan 8.270 nan 0.000 0.529 280 V N -1.262 118.569 119.914 -0.137 0.000 2.448 280 V HA 0.635 4.143 4.120 -1.020 0.000 0.295 280 V C -0.900 175.103 176.094 -0.153 0.000 1.025 280 V CA -0.860 61.425 62.300 -0.024 0.000 0.859 280 V CB 1.093 32.988 31.823 0.120 0.000 0.988 280 V HN -0.141 nan 8.190 nan 0.000 0.431 281 F N 4.004 123.913 119.950 -0.068 0.000 2.551 281 F HA 0.653 4.570 4.527 -1.018 0.000 0.316 281 F C -0.077 175.741 175.800 0.031 0.000 1.089 281 F CA -1.140 56.860 58.000 -0.000 0.000 0.915 281 F CB 1.929 40.928 39.000 -0.000 0.000 1.186 281 F HN 0.319 nan 8.300 nan 0.000 0.456 282 L N 2.469 123.834 121.223 0.237 0.000 2.397 282 L HA 0.223 3.951 4.340 -1.020 0.000 0.271 282 L C -0.048 176.999 176.870 0.295 0.000 1.148 282 L CA 0.124 55.063 54.840 0.166 0.000 0.825 282 L CB 0.796 42.868 42.059 0.021 0.000 1.117 282 L HN 0.670 nan 8.230 nan 0.000 0.456 283 N N 1.638 120.472 118.700 0.224 0.000 2.733 283 N HA 0.356 4.484 4.740 -1.020 0.000 0.271 283 N C 0.348 175.973 175.510 0.191 0.000 1.720 283 N CA 0.606 53.829 53.050 0.288 0.000 0.803 283 N CB 0.670 39.283 38.487 0.211 0.000 1.208 283 N HN 0.859 nan 8.380 nan 0.000 0.498 284 G N 1.956 110.852 108.800 0.160 0.000 2.574 284 G HA2 -0.350 2.998 3.960 -1.020 0.000 0.301 284 G HA3 -0.350 2.998 3.960 -1.020 0.000 0.301 284 G C 0.325 175.288 174.900 0.105 0.000 1.166 284 G CA 0.545 45.715 45.100 0.116 0.000 0.971 284 G HN 0.459 nan 8.290 nan 0.000 0.542 285 D N 2.341 122.799 120.400 0.097 0.000 2.349 285 D HA 0.179 4.206 4.640 -1.020 0.000 0.224 285 D C 1.629 177.990 176.300 0.102 0.000 1.029 285 D CA 1.193 55.248 54.000 0.092 0.000 0.879 285 D CB 0.053 40.896 40.800 0.072 0.000 0.906 285 D HN 0.786 nan 8.370 nan 0.000 0.528 286 R N -0.866 119.700 120.500 0.109 0.000 2.987 286 R HA 0.670 4.398 4.340 -1.020 0.000 0.248 286 R C -0.345 176.024 176.300 0.114 0.000 1.264 286 R CA -0.779 55.382 56.100 0.102 0.000 1.026 286 R CB 0.763 31.107 30.300 0.073 0.000 1.286 286 R HN -0.073 nan 8.270 nan 0.000 0.483 287 T N -2.089 112.511 114.554 0.077 0.000 2.916 287 T HA 0.579 4.317 4.350 -1.020 0.000 0.292 287 T C -0.689 173.951 174.700 -0.100 0.000 1.064 287 T CA -0.804 61.328 62.100 0.054 0.000 1.011 287 T CB 1.872 70.824 68.868 0.141 0.000 1.152 287 T HN 0.276 nan 8.240 nan 0.000 0.510 288 V N 1.833 121.611 119.914 -0.228 0.000 2.417 288 V HA 0.590 4.098 4.120 -1.020 0.000 0.291 288 V C -0.580 175.302 176.094 -0.353 0.000 1.024 288 V CA -0.670 61.336 62.300 -0.490 0.000 0.861 288 V CB 1.551 32.766 31.823 -1.014 0.000 0.985 288 V HN 0.866 nan 8.190 nan 0.000 0.436 289 V N 5.878 125.603 119.914 -0.315 0.000 2.349 289 V HA 0.473 3.981 4.120 -1.020 0.000 0.284 289 V C -0.491 175.542 176.094 -0.102 0.000 1.014 289 V CA -0.546 61.657 62.300 -0.162 0.000 0.826 289 V CB 1.184 32.967 31.823 -0.067 0.000 1.009 289 V HN 0.601 nan 8.190 nan 0.000 0.431 290 F N 2.394 122.363 119.950 0.032 0.000 2.382 290 F HA 0.485 4.400 4.527 -1.019 0.000 0.331 290 F C 0.930 176.737 175.800 0.012 0.000 1.121 290 F CA -0.594 57.410 58.000 0.007 0.000 1.183 290 F CB 0.658 39.698 39.000 0.067 0.000 1.207 290 F HN 0.454 nan 8.300 nan 0.000 0.555 291 Q N 0.000 119.926 119.800 0.210 0.000 2.315 291 Q HA 0.000 3.728 4.340 -1.020 0.000 0.214 291 Q CA 0.000 55.867 55.803 0.107 0.000 1.022 291 Q CB 0.000 28.774 28.738 0.060 0.000 1.108 291 Q HN 0.000 nan 8.270 nan 0.000 0.481