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 1nlm_1_B DATA FIRST_RESID 7 DATA SEQUENCE KRLMVMAGGT GGHVFPGLAV AHHLMAQGWQ VRWLGTADRM EADLVPKHGI DATA SEQUENCE EIDFIRISGL RGKGIKALIA APLRIFNAWR QARAIMKAYK PDVVLGMGGY DATA SEQUENCE VSGPGGLAAW SLGIPVVLHE QNGIAGLTNK WLAKIATKVM QAFPGAFPNA DATA SEQUENCE EVVGNPVRTD VLALPLPQQR LAGREGPVRV LVVGGSQGAR ILNQTMPQVA DATA SEQUENCE AKLGDSVTIW HQSGKGSQQS VEQAYAEAGQ PQHKVTEFID DMAAAYAWAD DATA SEQUENCE VVVCRSGALT VSEIAAAGLP ALFVPFQHKD RQQYWNALPL EKAGAAKIIE DATA SEQUENCE QPQLSVDAVA NTLAGWSRET LLTMAERARA ASIPDATERV ANEVSRVARA 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 K HA 0.000 nan 4.320 nan 0.000 0.191 7 K C 0.000 176.338 176.600 -0.437 0.000 0.988 7 K CA 0.000 55.783 56.287 -0.839 0.000 0.838 7 K CB 0.000 32.247 32.500 -0.422 0.000 1.064 8 R N 2.386 122.790 120.500 -0.160 0.000 2.312 8 R HA 0.634 4.974 4.340 -0.000 0.000 0.311 8 R C -0.429 176.072 176.300 0.336 0.000 1.004 8 R CA -0.586 55.578 56.100 0.107 0.000 0.902 8 R CB 0.987 31.189 30.300 -0.163 0.000 1.073 8 R HN 0.190 nan 8.270 nan 0.000 0.457 9 L N 2.991 124.506 121.223 0.487 0.000 2.386 9 L HA 0.487 4.827 4.340 -0.000 0.000 0.271 9 L C -1.008 176.007 176.870 0.242 0.000 0.993 9 L CA -0.908 54.146 54.840 0.358 0.000 0.819 9 L CB 2.269 44.465 42.059 0.227 0.000 1.294 9 L HN 0.734 nan 8.230 nan 0.000 0.414 10 M N 5.263 124.945 119.600 0.135 0.000 2.101 10 M HA 0.413 4.892 4.480 -0.000 0.000 0.340 10 M C -1.196 174.992 176.300 -0.186 0.000 1.057 10 M CA -0.545 54.740 55.300 -0.025 0.000 0.984 10 M CB 1.550 34.164 32.600 0.024 0.000 1.560 10 M HN 0.417 nan 8.290 nan 0.000 0.435 11 V N 6.079 125.776 119.914 -0.362 0.000 2.427 11 V HA 0.447 4.567 4.120 -0.000 0.000 0.286 11 V C 0.043 175.630 176.094 -0.846 0.000 1.034 11 V CA -0.357 61.565 62.300 -0.630 0.000 0.893 11 V CB 1.634 32.919 31.823 -0.897 0.000 0.982 11 V HN 0.803 nan 8.190 nan 0.000 0.452 12 M N 5.151 124.362 119.600 -0.648 0.000 2.043 12 M HA 0.738 5.218 4.480 -0.000 0.000 0.322 12 M C -0.436 175.589 176.300 -0.458 0.000 0.962 12 M CA -0.309 54.682 55.300 -0.513 0.000 0.927 12 M CB 1.697 34.124 32.600 -0.289 0.000 1.466 12 M HN 0.614 nan 8.290 nan 0.000 0.412 13 A N 2.356 124.932 122.820 -0.408 0.000 2.359 13 A HA 0.866 5.186 4.320 -0.000 0.000 0.303 13 A C 0.325 177.970 177.584 0.101 0.000 1.066 13 A CA -0.619 51.353 52.037 -0.109 0.000 0.730 13 A CB 1.081 20.125 19.000 0.074 0.000 1.211 13 A HN 0.896 nan 8.150 nan 0.000 0.439 14 G N 0.937 109.761 108.800 0.041 0.000 2.443 14 G HA2 0.415 4.375 3.960 -0.000 0.000 0.286 14 G HA3 0.415 4.375 3.960 -0.000 0.000 0.286 14 G C 0.601 175.599 174.900 0.162 0.000 1.393 14 G CA 0.123 45.296 45.100 0.122 0.000 1.080 14 G HN 1.492 nan 8.290 nan 0.000 0.566 15 G N -0.971 107.911 108.800 0.136 0.000 2.922 15 G HA2 0.502 4.462 3.960 -0.000 0.000 0.335 15 G HA3 0.502 4.462 3.960 -0.000 0.000 0.335 15 G C -0.486 174.420 174.900 0.009 0.000 1.016 15 G CA 0.259 45.401 45.100 0.070 0.000 1.306 15 G HN 0.710 nan 8.290 nan 0.000 0.465 16 T N 0.067 114.586 114.554 -0.058 0.000 3.230 16 T HA 0.362 4.712 4.350 -0.000 0.000 0.390 16 T C 1.418 175.965 174.700 -0.255 0.000 1.761 16 T CA 0.178 62.187 62.100 -0.153 0.000 1.129 16 T CB 0.629 69.365 68.868 -0.221 0.000 1.583 16 T HN 0.565 nan 8.240 nan 0.000 0.480 17 G N 1.631 110.270 108.800 -0.268 0.000 2.476 17 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.218 17 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.218 17 G C 1.774 176.566 174.900 -0.179 0.000 1.164 17 G CA 1.597 46.445 45.100 -0.419 0.000 0.768 17 G HN 1.100 nan 8.290 nan 0.000 0.560 18 G N -0.499 108.248 108.800 -0.089 0.000 2.485 18 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.221 18 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.221 18 G C 1.528 176.434 174.900 0.010 0.000 1.115 18 G CA 1.293 46.367 45.100 -0.043 0.000 0.751 18 G HN 0.673 nan 8.290 nan 0.000 0.567 19 H N -1.181 117.871 119.070 -0.031 0.000 2.476 19 H HA 0.097 4.653 4.556 -0.000 0.000 0.292 19 H C 2.739 178.065 175.328 -0.004 0.000 1.019 19 H CA 0.617 56.655 56.048 -0.018 0.000 1.330 19 H CB 0.394 30.137 29.762 -0.031 0.000 1.451 19 H HN 0.293 nan 8.280 nan 0.000 0.535 20 V N -1.268 118.658 119.914 0.020 0.000 2.379 20 V HA -0.123 3.997 4.120 -0.000 0.000 0.243 20 V C 1.893 177.977 176.094 -0.016 0.000 1.035 20 V CA 1.102 63.407 62.300 0.008 0.000 1.035 20 V CB -0.883 30.759 31.823 -0.301 0.000 0.673 20 V HN 0.091 nan 8.190 nan 0.000 0.457 21 F N 1.495 121.480 119.950 0.059 0.000 2.126 21 F HA 0.074 4.600 4.527 -0.000 0.000 0.299 21 F C 0.268 176.090 175.800 0.038 0.000 1.096 21 F CA 1.415 59.433 58.000 0.030 0.000 1.255 21 F CB -2.602 36.420 39.000 0.037 0.000 0.997 21 F HN 0.299 nan 8.300 nan 0.000 0.479 22 P HA -0.053 nan 4.420 nan 0.000 0.217 22 P C 1.910 179.218 177.300 0.013 0.000 1.151 22 P CA 1.888 65.024 63.100 0.060 0.000 0.828 22 P CB -0.314 31.393 31.700 0.012 0.000 0.788 23 G N -0.081 108.759 108.800 0.067 0.000 2.421 23 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.216 23 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.216 23 G C 1.531 176.530 174.900 0.166 0.000 1.171 23 G CA 0.519 45.644 45.100 0.042 0.000 0.775 23 G HN 0.198 nan 8.290 nan 0.000 0.543 24 L N 0.733 122.114 121.223 0.263 0.000 2.012 24 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 24 L C 3.469 180.372 176.870 0.055 0.000 1.073 24 L CA 1.218 56.093 54.840 0.058 0.000 0.748 24 L CB -0.461 41.502 42.059 -0.160 0.000 0.891 24 L HN 0.323 nan 8.230 nan 0.000 0.431 25 A N -0.388 122.512 122.820 0.133 0.000 1.859 25 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 25 A C 2.309 179.953 177.584 0.101 0.000 1.198 25 A CA 2.338 54.464 52.037 0.148 0.000 0.629 25 A CB -1.096 17.950 19.000 0.077 0.000 0.830 25 A HN 0.212 nan 8.150 nan 0.000 0.446 26 V N -0.230 119.688 119.914 0.007 0.000 2.287 26 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 26 V C 3.076 179.166 176.094 -0.006 0.000 1.053 26 V CA 2.103 64.381 62.300 -0.036 0.000 1.027 26 V CB -1.302 30.438 31.823 -0.137 0.000 0.646 26 V HN 0.670 nan 8.190 nan 0.000 0.447 27 A N -1.049 121.758 122.820 -0.021 0.000 1.883 27 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 27 A C 2.124 179.724 177.584 0.027 0.000 1.186 27 A CA 2.041 54.061 52.037 -0.028 0.000 0.624 27 A CB -0.811 18.198 19.000 0.015 0.000 0.822 27 A HN 0.657 nan 8.150 nan 0.000 0.444 28 H N -1.619 117.522 119.070 0.119 0.000 2.353 28 H HA -0.155 4.401 4.556 -0.000 0.000 0.300 28 H C 2.071 177.463 175.328 0.107 0.000 1.090 28 H CA 1.970 58.091 56.048 0.121 0.000 1.327 28 H CB -0.676 29.170 29.762 0.141 0.000 1.383 28 H HN 0.788 nan 8.280 nan 0.000 0.508 29 H N 0.295 119.441 119.070 0.127 0.000 2.319 29 H HA -0.111 4.445 4.556 -0.000 0.000 0.299 29 H C 1.996 177.331 175.328 0.012 0.000 1.092 29 H CA 1.247 57.323 56.048 0.047 0.000 1.302 29 H CB -0.072 29.685 29.762 -0.009 0.000 1.373 29 H HN 0.059 nan 8.280 nan 0.000 0.497 30 L N -0.141 121.065 121.223 -0.027 0.000 2.093 30 L HA -0.113 4.226 4.340 -0.000 0.000 0.208 30 L C 2.401 179.311 176.870 0.067 0.000 1.085 30 L CA 1.521 56.264 54.840 -0.161 0.000 0.755 30 L CB -0.969 40.826 42.059 -0.440 0.000 0.904 30 L HN 0.456 nan 8.230 nan 0.000 0.435 31 M N -1.281 118.387 119.600 0.114 0.000 2.279 31 M HA -0.144 4.335 4.480 -0.000 0.000 0.264 31 M C 2.006 178.383 176.300 0.128 0.000 1.062 31 M CA 1.528 56.929 55.300 0.168 0.000 1.099 31 M CB -0.398 32.310 32.600 0.180 0.000 1.394 31 M HN 0.258 nan 8.290 nan 0.000 0.426 32 A N -0.418 122.446 122.820 0.074 0.000 2.206 32 A HA -0.061 4.258 4.320 -0.000 0.000 0.211 32 A C 1.558 179.151 177.584 0.015 0.000 1.158 32 A CA 0.781 52.835 52.037 0.029 0.000 0.761 32 A CB -0.257 18.736 19.000 -0.013 0.000 0.801 32 A HN 0.566 nan 8.150 nan 0.000 0.473 33 Q N -1.631 118.204 119.800 0.058 0.000 2.175 33 Q HA 0.357 4.697 4.340 -0.000 0.000 0.225 33 Q C 1.067 177.180 176.000 0.188 0.000 0.837 33 Q CA 0.254 56.121 55.803 0.106 0.000 1.032 33 Q CB 0.646 29.452 28.738 0.114 0.000 1.137 33 Q HN 0.706 nan 8.270 nan 0.000 0.483 34 G N 0.380 109.271 108.800 0.151 0.000 2.420 34 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.221 34 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.221 34 G C -0.228 174.757 174.900 0.142 0.000 1.117 34 G CA -0.403 44.756 45.100 0.099 0.000 0.657 34 G HN 0.337 nan 8.290 nan 0.000 0.512 35 W N 2.238 123.544 121.300 0.009 0.000 2.582 35 W HA 0.414 5.073 4.660 -0.000 0.000 0.336 35 W C 0.905 177.452 176.519 0.046 0.000 1.152 35 W CA 0.764 58.123 57.345 0.024 0.000 1.347 35 W CB 0.315 29.789 29.460 0.023 0.000 1.173 35 W HN 0.239 nan 8.180 nan 0.000 0.575 36 Q N 1.954 121.931 119.800 0.295 0.000 2.271 36 Q HA 0.477 4.817 4.340 -0.000 0.000 0.258 36 Q C -1.201 174.993 176.000 0.323 0.000 0.936 36 Q CA -0.580 55.370 55.803 0.246 0.000 0.909 36 Q CB 1.749 30.598 28.738 0.185 0.000 1.253 36 Q HN 0.321 nan 8.270 nan 0.000 0.440 37 V N 3.970 124.028 119.914 0.240 0.000 2.555 37 V HA 0.578 4.697 4.120 -0.000 0.000 0.302 37 V C -0.367 175.763 176.094 0.059 0.000 1.038 37 V CA -0.817 61.590 62.300 0.178 0.000 0.887 37 V CB 2.097 33.996 31.823 0.128 0.000 0.991 37 V HN 0.641 nan 8.190 nan 0.000 0.434 38 R N 3.107 123.555 120.500 -0.087 0.000 2.686 38 R HA 0.487 4.827 4.340 -0.000 0.000 0.286 38 R C -1.708 174.507 176.300 -0.142 0.000 0.969 38 R CA -0.476 55.443 56.100 -0.303 0.000 0.898 38 R CB 1.437 31.103 30.300 -1.057 0.000 1.183 38 R HN 0.744 nan 8.270 nan 0.000 0.456 39 W N 6.347 127.478 121.300 -0.281 0.000 2.606 39 W HA 0.523 5.183 4.660 -0.000 0.000 0.332 39 W C -1.639 174.713 176.519 -0.278 0.000 1.052 39 W CA -1.124 56.071 57.345 -0.249 0.000 1.223 39 W CB 1.766 31.080 29.460 -0.242 0.000 1.383 39 W HN 0.471 nan 8.180 nan 0.000 0.524 40 L N 5.163 126.310 121.223 -0.126 0.000 2.343 40 L HA 0.790 5.130 4.340 -0.000 0.000 0.278 40 L C -0.191 176.687 176.870 0.014 0.000 0.996 40 L CA 0.106 54.892 54.840 -0.090 0.000 0.831 40 L CB 1.200 43.175 42.059 -0.139 0.000 1.232 40 L HN 0.525 nan 8.230 nan 0.000 0.413 41 G N 2.418 111.224 108.800 0.010 0.000 2.896 41 G HA2 0.619 4.579 3.960 -0.000 0.000 0.247 41 G HA3 0.619 4.579 3.960 -0.000 0.000 0.247 41 G C -1.126 173.838 174.900 0.107 0.000 1.187 41 G CA 0.007 45.155 45.100 0.079 0.000 0.837 41 G HN 0.534 nan 8.290 nan 0.000 0.559 42 T N -0.539 114.130 114.554 0.192 0.000 2.927 42 T HA 0.611 4.961 4.350 -0.000 0.000 0.286 42 T C 0.812 175.840 174.700 0.547 0.000 1.040 42 T CA 0.273 62.558 62.100 0.309 0.000 1.010 42 T CB 1.800 70.790 68.868 0.203 0.000 1.177 42 T HN 1.047 nan 8.240 nan 0.000 0.546 43 A N 0.267 123.314 122.820 0.379 0.000 2.343 43 A HA 0.229 4.549 4.320 -0.000 0.000 0.223 43 A C 0.998 178.619 177.584 0.063 0.000 1.214 43 A CA 0.059 52.176 52.037 0.134 0.000 0.900 43 A CB -0.159 18.642 19.000 -0.331 0.000 0.942 43 A HN 0.782 nan 8.150 nan 0.000 0.507 44 D N -0.964 119.489 120.400 0.088 0.000 2.462 44 D HA 0.175 4.815 4.640 -0.000 0.000 0.221 44 D C 0.394 176.736 176.300 0.069 0.000 1.173 44 D CA -0.128 53.906 54.000 0.056 0.000 0.831 44 D CB 0.267 41.093 40.800 0.043 0.000 1.001 44 D HN 0.014 nan 8.370 nan 0.000 0.499 45 R N 0.211 120.766 120.500 0.092 0.000 2.912 45 R HA 0.383 4.723 4.340 -0.000 0.000 0.262 45 R C 1.536 177.864 176.300 0.046 0.000 1.057 45 R CA -0.632 55.511 56.100 0.072 0.000 0.981 45 R CB 1.142 31.499 30.300 0.095 0.000 1.201 45 R HN 0.112 nan 8.270 nan 0.000 0.484 46 M N 0.652 120.258 119.600 0.010 0.000 2.103 46 M HA -0.252 4.228 4.480 -0.000 0.000 0.255 46 M C 1.541 177.803 176.300 -0.063 0.000 1.074 46 M CA 2.419 57.700 55.300 -0.031 0.000 1.090 46 M CB -0.555 32.003 32.600 -0.070 0.000 1.325 46 M HN 0.578 nan 8.290 nan 0.000 0.403 47 E N 1.443 121.590 120.200 -0.089 0.000 2.267 47 E HA -0.145 4.205 4.350 -0.000 0.000 0.197 47 E C 1.542 178.058 176.600 -0.140 0.000 0.998 47 E CA 1.474 57.755 56.400 -0.200 0.000 0.830 47 E CB -0.709 28.866 29.700 -0.208 0.000 0.751 47 E HN 0.742 nan 8.360 nan 0.000 0.491 48 A N 0.673 123.511 122.820 0.030 0.000 2.233 48 A HA -0.010 4.310 4.320 -0.000 0.000 0.230 48 A C 0.690 178.335 177.584 0.102 0.000 1.347 48 A CA 0.569 52.725 52.037 0.199 0.000 1.087 48 A CB -0.132 19.059 19.000 0.318 0.000 0.871 48 A HN 0.207 nan 8.150 nan 0.000 0.519 49 D N -2.575 117.830 120.400 0.008 0.000 1.852 49 D HA -0.053 4.587 4.640 -0.000 0.000 0.559 49 D C 1.259 177.550 176.300 -0.014 0.000 0.873 49 D CA 0.035 54.039 54.000 0.008 0.000 1.045 49 D CB -0.148 40.659 40.800 0.012 0.000 1.579 49 D HN 0.335 nan 8.370 nan 0.000 0.509 50 L N 1.730 122.916 121.223 -0.062 0.000 2.071 50 L HA 0.059 4.399 4.340 -0.000 0.000 0.201 50 L C 2.227 179.059 176.870 -0.064 0.000 1.076 50 L CA 1.560 56.382 54.840 -0.031 0.000 0.755 50 L CB -0.684 41.323 42.059 -0.086 0.000 0.915 50 L HN -0.150 nan 8.230 nan 0.000 0.445 51 V N 0.756 120.460 119.914 -0.350 0.000 2.282 51 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 51 V C -0.062 175.919 176.094 -0.189 0.000 1.057 51 V CA 2.362 64.359 62.300 -0.506 0.000 1.032 51 V CB -2.192 29.037 31.823 -0.989 0.000 0.645 51 V HN 0.332 nan 8.190 nan 0.000 0.447 52 P HA -0.176 nan 4.420 nan 0.000 0.216 52 P C 1.601 178.914 177.300 0.021 0.000 1.150 52 P CA 1.519 64.600 63.100 -0.031 0.000 0.843 52 P CB -0.094 31.608 31.700 0.005 0.000 0.787 53 K N -1.718 118.711 120.400 0.048 0.000 2.148 53 K HA -0.130 4.190 4.320 -0.000 0.000 0.204 53 K C 1.379 178.012 176.600 0.055 0.000 1.050 53 K CA 1.088 57.407 56.287 0.053 0.000 0.942 53 K CB -0.538 31.995 32.500 0.055 0.000 0.724 53 K HN 0.323 nan 8.250 nan 0.000 0.446 54 H N -0.256 118.819 119.070 0.008 0.000 2.566 54 H HA 0.121 4.677 4.556 -0.000 0.000 0.280 54 H C 0.544 175.942 175.328 0.117 0.000 1.042 54 H CA 0.508 56.621 56.048 0.108 0.000 1.168 54 H CB -0.139 29.689 29.762 0.111 0.000 1.340 54 H HN 0.376 nan 8.280 nan 0.000 0.597 55 G N 0.939 109.818 108.800 0.130 0.000 2.338 55 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.296 55 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.296 55 G C -0.106 174.850 174.900 0.092 0.000 1.040 55 G CA 0.317 45.475 45.100 0.097 0.000 1.004 55 G HN 0.418 nan 8.290 nan 0.000 0.509 56 I N -0.493 120.106 120.570 0.048 0.000 2.689 56 I HA 0.339 4.509 4.170 -0.000 0.000 0.299 56 I C -0.032 176.082 176.117 -0.005 0.000 1.059 56 I CA -1.124 60.191 61.300 0.026 0.000 1.055 56 I CB 1.761 39.756 38.000 -0.008 0.000 1.243 56 I HN -0.024 nan 8.210 nan 0.000 0.425 57 E N 5.418 125.619 120.200 0.003 0.000 2.313 57 E HA 0.389 4.739 4.350 -0.000 0.000 0.276 57 E C -0.833 175.731 176.600 -0.060 0.000 1.031 57 E CA -0.134 56.253 56.400 -0.023 0.000 0.857 57 E CB 2.296 31.980 29.700 -0.028 0.000 1.040 57 E HN 0.418 nan 8.360 nan 0.000 0.408 58 I N 2.634 123.141 120.570 -0.105 0.000 2.478 58 I HA 0.189 4.359 4.170 -0.000 0.000 0.287 58 I C -1.124 174.791 176.117 -0.337 0.000 1.042 58 I CA -0.605 60.553 61.300 -0.236 0.000 1.067 58 I CB 1.304 39.053 38.000 -0.418 0.000 1.233 58 I HN 0.209 nan 8.210 nan 0.000 0.431 59 D N 7.826 128.060 120.400 -0.277 0.000 2.233 59 D HA 0.344 4.984 4.640 -0.000 0.000 0.240 59 D C -0.866 175.306 176.300 -0.213 0.000 1.074 59 D CA 0.142 54.058 54.000 -0.140 0.000 0.838 59 D CB 1.554 42.310 40.800 -0.073 0.000 1.124 59 D HN 0.181 nan 8.370 nan 0.000 0.475 60 F N 1.834 121.796 119.950 0.021 0.000 2.440 60 F HA 0.531 5.057 4.527 -0.000 0.000 0.328 60 F C 0.785 176.598 175.800 0.022 0.000 1.070 60 F CA -1.115 56.903 58.000 0.030 0.000 1.011 60 F CB 0.969 39.984 39.000 0.025 0.000 1.226 60 F HN 0.171 nan 8.300 nan 0.000 0.491 61 I N -0.890 119.812 120.570 0.220 0.000 2.656 61 I HA 0.540 4.709 4.170 -0.000 0.000 0.292 61 I C -0.829 175.361 176.117 0.122 0.000 1.144 61 I CA -1.174 60.204 61.300 0.130 0.000 1.038 61 I CB 2.086 40.133 38.000 0.079 0.000 1.244 61 I HN 0.357 nan 8.210 nan 0.000 0.420 62 R N 5.706 126.261 120.500 0.090 0.000 2.291 62 R HA 0.313 4.653 4.340 -0.000 0.000 0.333 62 R C 0.354 176.694 176.300 0.067 0.000 1.082 62 R CA 0.004 56.148 56.100 0.074 0.000 0.948 62 R CB 0.488 30.821 30.300 0.056 0.000 1.009 62 R HN 0.876 nan 8.270 nan 0.000 0.460 63 I N -0.382 120.226 120.570 0.064 0.000 3.856 63 I HA 0.159 4.329 4.170 -0.000 0.000 0.330 63 I C 0.892 177.005 176.117 -0.006 0.000 1.546 63 I CA -0.344 60.980 61.300 0.040 0.000 1.132 63 I CB 0.663 38.696 38.000 0.055 0.000 1.157 63 I HN 0.138 nan 8.210 nan 0.000 0.440 64 S N 2.402 118.108 115.700 0.010 0.000 2.392 64 S HA -0.200 4.270 4.470 -0.000 0.000 0.225 64 S C 1.745 176.326 174.600 -0.030 0.000 1.041 64 S CA 1.935 60.132 58.200 -0.005 0.000 1.100 64 S CB -1.003 62.205 63.200 0.013 0.000 1.029 64 S HN 0.743 nan 8.310 nan 0.000 0.424 65 G N 0.169 108.963 108.800 -0.010 0.000 3.356 65 G HA2 0.317 4.277 3.960 -0.000 0.000 0.239 65 G HA3 0.317 4.277 3.960 -0.000 0.000 0.239 65 G C 0.468 175.347 174.900 -0.036 0.000 1.252 65 G CA 0.008 45.099 45.100 -0.015 0.000 1.611 65 G HN 0.330 nan 8.290 nan 0.000 0.580 66 L N -0.823 120.343 121.223 -0.095 0.000 2.966 66 L HA 0.372 4.712 4.340 -0.000 0.000 0.262 66 L C 1.439 178.104 176.870 -0.342 0.000 1.068 66 L CA -0.081 54.672 54.840 -0.145 0.000 1.004 66 L CB 0.255 42.251 42.059 -0.104 0.000 1.629 66 L HN 0.277 nan 8.230 nan 0.000 0.542 67 R N -0.439 119.779 120.500 -0.471 0.000 2.442 67 R HA 0.527 4.867 4.340 -0.000 0.000 0.291 67 R C 0.800 176.968 176.300 -0.220 0.000 1.069 67 R CA 0.533 56.196 56.100 -0.728 0.000 1.022 67 R CB 0.238 30.272 30.300 -0.442 0.000 0.976 67 R HN 0.243 nan 8.270 nan 0.000 0.443 68 G N 2.140 110.921 108.800 -0.031 0.000 2.850 68 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.207 68 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.207 68 G C -0.479 174.471 174.900 0.083 0.000 1.302 68 G CA -0.149 45.002 45.100 0.086 0.000 0.832 68 G HN 0.527 nan 8.290 nan 0.000 0.543 69 K N 2.479 122.894 120.400 0.025 0.000 2.484 69 K HA 0.495 4.814 4.320 -0.000 0.000 0.280 69 K C 1.125 177.768 176.600 0.071 0.000 1.013 69 K CA 0.933 57.239 56.287 0.032 0.000 1.029 69 K CB 0.695 33.193 32.500 -0.003 0.000 0.902 69 K HN 0.670 nan 8.250 nan 0.000 0.481 70 G N 1.714 110.554 108.800 0.067 0.000 2.531 70 G HA2 0.142 4.102 3.960 -0.000 0.000 0.253 70 G HA3 0.142 4.102 3.960 -0.000 0.000 0.253 70 G C 0.837 175.761 174.900 0.041 0.000 1.439 70 G CA -0.450 44.700 45.100 0.083 0.000 1.056 70 G HN 0.586 nan 8.290 nan 0.000 0.555 71 I N -0.323 120.269 120.570 0.037 0.000 2.076 71 I HA -0.090 4.079 4.170 -0.000 0.000 0.237 71 I C 2.436 178.523 176.117 -0.049 0.000 1.059 71 I CA 1.740 63.030 61.300 -0.016 0.000 1.317 71 I CB -0.103 37.904 38.000 0.011 0.000 1.037 71 I HN 0.199 nan 8.210 nan 0.000 0.398 72 K N 0.976 121.362 120.400 -0.024 0.000 2.209 72 K HA 0.015 4.335 4.320 -0.000 0.000 0.204 72 K C 2.093 178.672 176.600 -0.035 0.000 1.048 72 K CA 1.206 57.475 56.287 -0.031 0.000 0.940 72 K CB -0.796 31.696 32.500 -0.015 0.000 0.729 72 K HN 0.523 nan 8.250 nan 0.000 0.451 73 A N 0.922 123.727 122.820 -0.024 0.000 1.969 73 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 73 A C 2.175 179.732 177.584 -0.045 0.000 1.169 73 A CA 1.004 53.027 52.037 -0.023 0.000 0.635 73 A CB -0.350 18.647 19.000 -0.004 0.000 0.810 73 A HN 0.185 nan 8.150 nan 0.000 0.445 74 L N -0.499 120.680 121.223 -0.073 0.000 2.307 74 L HA -0.000 4.340 4.340 -0.000 0.000 0.211 74 L C 2.083 178.875 176.870 -0.131 0.000 1.099 74 L CA 0.120 54.891 54.840 -0.116 0.000 0.816 74 L CB -0.260 41.685 42.059 -0.190 0.000 0.952 74 L HN 0.261 nan 8.230 nan 0.000 0.455 75 I N 0.554 121.053 120.570 -0.119 0.000 2.315 75 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 75 I C 2.729 178.799 176.117 -0.078 0.000 1.117 75 I CA 1.486 62.723 61.300 -0.106 0.000 1.404 75 I CB -1.201 36.749 38.000 -0.084 0.000 1.071 75 I HN 0.166 nan 8.210 nan 0.000 0.419 76 A N 0.499 123.282 122.820 -0.062 0.000 1.898 76 A HA 0.253 4.572 4.320 -0.000 0.000 0.214 76 A C 1.663 179.218 177.584 -0.049 0.000 1.183 76 A CA 1.112 53.121 52.037 -0.048 0.000 0.622 76 A CB -0.332 18.647 19.000 -0.036 0.000 0.824 76 A HN 0.343 nan 8.150 nan 0.000 0.444 77 A N -0.342 122.447 122.820 -0.052 0.000 3.150 77 A HA 0.606 4.926 4.320 -0.000 0.000 0.328 77 A C -1.651 175.900 177.584 -0.054 0.000 1.104 77 A CA -1.117 50.892 52.037 -0.047 0.000 0.937 77 A CB 0.186 19.167 19.000 -0.033 0.000 1.073 77 A HN 0.174 nan 8.150 nan 0.000 0.497 78 P HA -0.182 nan 4.420 nan 0.000 0.216 78 P C 1.413 178.692 177.300 -0.034 0.000 1.150 78 P CA 0.803 63.858 63.100 -0.075 0.000 0.843 78 P CB 0.151 31.801 31.700 -0.084 0.000 0.787 79 L N -0.913 120.290 121.223 -0.033 0.000 2.353 79 L HA -0.102 4.238 4.340 -0.000 0.000 0.220 79 L C 2.199 179.116 176.870 0.079 0.000 1.133 79 L CA 1.590 56.428 54.840 -0.003 0.000 0.798 79 L CB -1.216 40.792 42.059 -0.084 0.000 0.922 79 L HN 0.104 nan 8.230 nan 0.000 0.445 80 R N -0.095 120.430 120.500 0.042 0.000 2.120 80 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 80 R C 1.965 178.323 176.300 0.096 0.000 1.123 80 R CA 1.054 57.187 56.100 0.055 0.000 0.975 80 R CB -0.141 30.167 30.300 0.013 0.000 0.866 80 R HN 0.274 nan 8.270 nan 0.000 0.446 81 I N 0.885 121.517 120.570 0.103 0.000 3.812 81 I HA -0.060 4.110 4.170 -0.000 0.000 0.320 81 I C 1.156 177.404 176.117 0.217 0.000 1.276 81 I CA -0.074 61.309 61.300 0.138 0.000 1.164 81 I CB 0.032 38.096 38.000 0.106 0.000 1.009 81 I HN 0.023 nan 8.210 nan 0.000 0.431 82 F N 1.799 121.800 119.950 0.084 0.000 2.031 82 F HA -0.278 4.249 4.527 -0.000 0.000 0.295 82 F C 2.005 177.947 175.800 0.237 0.000 1.133 82 F CA 2.150 60.233 58.000 0.139 0.000 1.188 82 F CB -0.536 38.510 39.000 0.077 0.000 0.974 82 F HN 0.134 nan 8.300 nan 0.000 0.473 83 N N 0.356 119.172 118.700 0.194 0.000 2.061 83 N HA -0.205 4.535 4.740 -0.000 0.000 0.193 83 N C 1.915 177.453 175.510 0.046 0.000 1.030 83 N CA 1.770 54.866 53.050 0.076 0.000 0.856 83 N CB -0.787 37.780 38.487 0.133 0.000 1.023 83 N HN 0.418 nan 8.380 nan 0.000 0.424 84 A N -0.212 122.669 122.820 0.102 0.000 1.873 84 A HA -0.220 4.099 4.320 -0.000 0.000 0.218 84 A C 2.124 179.771 177.584 0.106 0.000 1.193 84 A CA 1.769 53.868 52.037 0.103 0.000 0.629 84 A CB -1.401 17.680 19.000 0.135 0.000 0.826 84 A HN 0.626 nan 8.150 nan 0.000 0.447 85 W N 0.800 122.065 121.300 -0.059 0.000 2.338 85 W HA -0.193 4.467 4.660 -0.000 0.000 0.304 85 W C 2.361 178.789 176.519 -0.152 0.000 1.212 85 W CA 1.985 59.282 57.345 -0.081 0.000 1.264 85 W CB -0.100 29.301 29.460 -0.099 0.000 1.142 85 W HN 0.181 nan 8.180 nan 0.000 0.512 86 R N 0.146 120.563 120.500 -0.137 0.000 2.097 86 R HA -0.215 4.125 4.340 -0.000 0.000 0.236 86 R C 2.133 178.285 176.300 -0.247 0.000 1.135 86 R CA 2.248 58.177 56.100 -0.284 0.000 0.934 86 R CB -1.352 28.827 30.300 -0.202 0.000 0.846 86 R HN 0.432 nan 8.270 nan 0.000 0.431 87 Q N -0.220 119.504 119.800 -0.126 0.000 2.050 87 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 87 Q C 2.218 178.150 176.000 -0.113 0.000 0.980 87 Q CA 1.519 57.271 55.803 -0.085 0.000 0.840 87 Q CB -0.223 28.505 28.738 -0.016 0.000 0.898 87 Q HN 0.376 nan 8.270 nan 0.000 0.424 88 A N 1.533 124.286 122.820 -0.111 0.000 1.892 88 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 88 A C 2.061 179.531 177.584 -0.191 0.000 1.188 88 A CA 1.926 53.897 52.037 -0.110 0.000 0.631 88 A CB -0.646 18.321 19.000 -0.054 0.000 0.822 88 A HN 0.273 nan 8.150 nan 0.000 0.447 89 R N -0.683 119.588 120.500 -0.382 0.000 2.062 89 R HA -0.021 4.319 4.340 -0.000 0.000 0.229 89 R C 2.396 178.521 176.300 -0.291 0.000 1.128 89 R CA 1.347 57.172 56.100 -0.459 0.000 0.960 89 R CB -0.450 29.270 30.300 -0.966 0.000 0.855 89 R HN 0.435 nan 8.270 nan 0.000 0.432 90 A N 1.510 124.171 122.820 -0.266 0.000 1.865 90 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 90 A C 2.187 179.720 177.584 -0.086 0.000 1.191 90 A CA 1.735 53.678 52.037 -0.157 0.000 0.623 90 A CB -0.680 18.245 19.000 -0.125 0.000 0.826 90 A HN 0.381 nan 8.150 nan 0.000 0.444 91 I N -0.681 119.849 120.570 -0.067 0.000 2.264 91 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 91 I C 2.514 178.645 176.117 0.023 0.000 1.111 91 I CA 1.518 62.808 61.300 -0.015 0.000 1.382 91 I CB -0.309 37.679 38.000 -0.020 0.000 1.060 91 I HN 0.348 nan 8.210 nan 0.000 0.418 92 M N -0.153 119.442 119.600 -0.007 0.000 2.557 92 M HA -0.127 4.353 4.480 -0.000 0.000 0.259 92 M C 1.909 178.216 176.300 0.012 0.000 1.086 92 M CA 1.300 56.622 55.300 0.036 0.000 1.096 92 M CB -0.199 32.397 32.600 -0.006 0.000 1.424 92 M HN 0.165 nan 8.290 nan 0.000 0.488 93 K N 0.008 120.395 120.400 -0.023 0.000 2.166 93 K HA 0.118 4.437 4.320 -0.000 0.000 0.201 93 K C 2.009 178.603 176.600 -0.010 0.000 1.052 93 K CA 0.876 57.142 56.287 -0.035 0.000 0.969 93 K CB 0.100 32.565 32.500 -0.059 0.000 0.761 93 K HN 0.206 nan 8.250 nan 0.000 0.459 94 A N 0.094 122.925 122.820 0.019 0.000 2.067 94 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 94 A C 1.753 179.393 177.584 0.092 0.000 1.156 94 A CA 0.938 52.999 52.037 0.041 0.000 0.683 94 A CB -0.241 18.786 19.000 0.045 0.000 0.808 94 A HN 0.384 nan 8.150 nan 0.000 0.455 95 Y N -0.500 119.787 120.300 -0.023 0.000 2.500 95 Y HA 0.250 4.799 4.550 -0.000 0.000 0.284 95 Y C -0.045 175.846 175.900 -0.016 0.000 1.118 95 Y CA 0.529 58.621 58.100 -0.014 0.000 1.241 95 Y CB 0.338 38.792 38.460 -0.010 0.000 1.171 95 Y HN 0.269 nan 8.280 nan 0.000 0.540 96 K N 0.980 121.310 120.400 -0.117 0.000 4.326 96 K HA -0.145 4.175 4.320 -0.000 0.000 0.299 96 K C -2.834 173.601 176.600 -0.275 0.000 1.005 96 K CA 0.252 56.431 56.287 -0.181 0.000 0.935 96 K CB -1.333 31.052 32.500 -0.191 0.000 1.551 96 K HN 0.259 nan 8.250 nan 0.000 0.438 97 P HA 0.074 nan 4.420 nan 0.000 0.274 97 P C 0.079 177.370 177.300 -0.015 0.000 1.237 97 P CA -0.337 62.762 63.100 -0.003 0.000 0.793 97 P CB 0.592 32.388 31.700 0.161 0.000 0.977 98 D N -0.614 119.804 120.400 0.031 0.000 2.392 98 D HA 0.154 4.794 4.640 -0.000 0.000 0.206 98 D C 0.153 176.505 176.300 0.087 0.000 1.046 98 D CA 0.667 54.685 54.000 0.029 0.000 0.865 98 D CB 0.775 41.575 40.800 0.000 0.000 0.969 98 D HN 0.083 nan 8.370 nan 0.000 0.509 99 V N 0.430 120.420 119.914 0.126 0.000 3.236 99 V HA 0.389 4.509 4.120 -0.000 0.000 0.287 99 V C -1.907 174.229 176.094 0.071 0.000 1.491 99 V CA -0.868 61.494 62.300 0.102 0.000 1.037 99 V CB 2.341 34.245 31.823 0.135 0.000 1.160 99 V HN -0.087 nan 8.190 nan 0.000 0.453 100 V N 3.342 123.264 119.914 0.013 0.000 2.876 100 V HA 0.780 4.899 4.120 -0.000 0.000 0.312 100 V C -1.185 174.850 176.094 -0.098 0.000 1.085 100 V CA -0.758 61.517 62.300 -0.041 0.000 0.945 100 V CB 1.821 33.620 31.823 -0.040 0.000 1.017 100 V HN 0.981 nan 8.190 nan 0.000 0.428 101 L N 3.712 124.836 121.223 -0.165 0.000 2.325 101 L HA 0.877 5.217 4.340 -0.000 0.000 0.281 101 L C 0.355 177.079 176.870 -0.244 0.000 1.004 101 L CA -0.310 54.411 54.840 -0.197 0.000 0.823 101 L CB 1.340 43.260 42.059 -0.231 0.000 1.236 101 L HN 1.062 nan 8.230 nan 0.000 0.415 102 G N 4.516 113.190 108.800 -0.210 0.000 2.335 102 G HA2 0.368 4.328 3.960 -0.000 0.000 0.314 102 G HA3 0.368 4.328 3.960 -0.000 0.000 0.314 102 G C 0.409 175.184 174.900 -0.209 0.000 1.129 102 G CA -0.498 44.462 45.100 -0.234 0.000 0.912 102 G HN 0.569 nan 8.290 nan 0.000 0.443 103 M N 1.639 121.095 119.600 -0.240 0.000 2.501 103 M HA 0.222 4.702 4.480 -0.000 0.000 0.261 103 M C 1.846 177.967 176.300 -0.299 0.000 1.129 103 M CA 1.012 56.209 55.300 -0.170 0.000 1.126 103 M CB 0.071 32.595 32.600 -0.126 0.000 1.359 103 M HN 0.890 nan 8.290 nan 0.000 0.471 104 G N -1.010 107.501 108.800 -0.483 0.000 3.110 104 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.205 104 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.205 104 G C 0.662 175.108 174.900 -0.757 0.000 1.019 104 G CA -0.279 44.412 45.100 -0.681 0.000 0.826 104 G HN 0.648 nan 8.290 nan 0.000 0.481 105 G N -0.422 107.933 108.800 -0.742 0.000 2.661 105 G HA2 0.321 4.281 3.960 -0.000 0.000 0.272 105 G HA3 0.321 4.281 3.960 -0.000 0.000 0.272 105 G C 0.812 175.635 174.900 -0.128 0.000 1.296 105 G CA 0.434 45.368 45.100 -0.277 0.000 0.998 105 G HN 0.088 nan 8.290 nan 0.000 0.553 106 Y N -0.278 120.034 120.300 0.019 0.000 2.089 106 Y HA -0.163 4.386 4.550 -0.000 0.000 0.282 106 Y C 3.132 179.050 175.900 0.030 0.000 1.139 106 Y CA 1.480 59.609 58.100 0.049 0.000 1.123 106 Y CB -1.007 37.503 38.460 0.083 0.000 0.980 106 Y HN 0.106 nan 8.280 nan 0.000 0.493 107 V N -0.918 119.119 119.914 0.205 0.000 2.363 107 V HA -0.382 3.738 4.120 -0.000 0.000 0.254 107 V C 2.511 178.625 176.094 0.033 0.000 1.074 107 V CA 2.003 64.368 62.300 0.107 0.000 1.069 107 V CB -1.455 30.407 31.823 0.066 0.000 0.659 107 V HN 0.455 nan 8.190 nan 0.000 0.455 108 S N 0.391 116.067 115.700 -0.040 0.000 2.399 108 S HA -0.272 4.198 4.470 -0.000 0.000 0.235 108 S C 1.970 176.498 174.600 -0.119 0.000 1.063 108 S CA 2.131 60.252 58.200 -0.131 0.000 1.070 108 S CB -0.840 62.232 63.200 -0.213 0.000 0.904 108 S HN 0.751 nan 8.310 nan 0.000 0.456 109 G N 1.616 110.387 108.800 -0.049 0.000 2.637 109 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.215 109 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.215 109 G C -0.673 174.327 174.900 0.167 0.000 1.289 109 G CA 0.981 46.079 45.100 -0.002 0.000 0.816 109 G HN 0.439 nan 8.290 nan 0.000 0.580 110 P HA -0.179 nan 4.420 nan 0.000 0.219 110 P C 2.087 179.503 177.300 0.193 0.000 1.161 110 P CA 2.234 65.488 63.100 0.256 0.000 0.909 110 P CB -0.520 31.292 31.700 0.187 0.000 0.793 111 G N -1.210 107.641 108.800 0.086 0.000 2.432 111 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 111 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 111 G C 1.743 176.673 174.900 0.049 0.000 1.135 111 G CA 0.997 46.114 45.100 0.029 0.000 0.767 111 G HN 0.407 nan 8.290 nan 0.000 0.550 112 G N 0.872 109.696 108.800 0.040 0.000 2.394 112 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.214 112 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.214 112 G C 1.788 176.800 174.900 0.188 0.000 1.176 112 G CA 0.607 45.725 45.100 0.030 0.000 0.786 112 G HN 0.408 nan 8.290 nan 0.000 0.533 113 L N 0.769 122.168 121.223 0.294 0.000 2.042 113 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 113 L C 3.409 180.656 176.870 0.628 0.000 1.076 113 L CA 1.061 56.210 54.840 0.515 0.000 0.749 113 L CB -0.417 41.986 42.059 0.574 0.000 0.893 113 L HN 0.316 nan 8.230 nan 0.000 0.432 114 A N 0.101 123.164 122.820 0.406 0.000 1.858 114 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 114 A C 2.537 180.194 177.584 0.122 0.000 1.190 114 A CA 1.738 53.828 52.037 0.089 0.000 0.617 114 A CB -0.833 18.064 19.000 -0.171 0.000 0.827 114 A HN 0.384 nan 8.150 nan 0.000 0.443 115 A N -2.005 120.891 122.820 0.128 0.000 1.978 115 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 115 A C 1.950 179.653 177.584 0.198 0.000 1.170 115 A CA 1.645 53.751 52.037 0.114 0.000 0.636 115 A CB -0.782 18.270 19.000 0.086 0.000 0.810 115 A HN 0.862 nan 8.150 nan 0.000 0.448 116 W N 1.572 122.921 121.300 0.081 0.000 2.409 116 W HA -0.135 4.524 4.660 -0.000 0.000 0.299 116 W C 2.477 179.066 176.519 0.118 0.000 1.203 116 W CA 1.904 59.303 57.345 0.089 0.000 1.298 116 W CB -0.333 29.190 29.460 0.106 0.000 1.127 116 W HN 0.384 nan 8.180 nan 0.000 0.528 117 S N -0.405 115.431 115.700 0.228 0.000 2.555 117 S HA -0.053 4.417 4.470 -0.000 0.000 0.230 117 S C 1.441 176.048 174.600 0.011 0.000 0.978 117 S CA 0.937 59.189 58.200 0.087 0.000 0.934 117 S CB -0.556 62.941 63.200 0.495 0.000 0.766 117 S HN 0.325 nan 8.310 nan 0.000 0.533 118 L N 0.608 121.836 121.223 0.008 0.000 2.808 118 L HA 0.406 4.746 4.340 -0.000 0.000 0.246 118 L C 1.665 178.511 176.870 -0.040 0.000 1.153 118 L CA 0.186 55.012 54.840 -0.024 0.000 0.956 118 L CB -0.095 41.949 42.059 -0.024 0.000 1.270 118 L HN 0.504 nan 8.230 nan 0.000 0.528 119 G N 1.157 109.913 108.800 -0.073 0.000 2.175 119 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.265 119 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.265 119 G C 0.368 175.268 174.900 0.000 0.000 0.979 119 G CA 0.114 45.173 45.100 -0.067 0.000 0.663 119 G HN 0.343 nan 8.290 nan 0.000 0.533 120 I N 1.958 122.546 120.570 0.029 0.000 2.496 120 I HA 0.216 4.386 4.170 -0.000 0.000 0.285 120 I C -1.552 174.612 176.117 0.079 0.000 1.080 120 I CA -2.037 59.290 61.300 0.045 0.000 1.404 120 I CB 0.814 38.840 38.000 0.042 0.000 1.403 120 I HN -0.103 nan 8.210 nan 0.000 0.539 121 P HA 0.045 nan 4.420 nan 0.000 0.268 121 P C -0.873 176.461 177.300 0.056 0.000 1.208 121 P CA -0.044 63.097 63.100 0.069 0.000 0.777 121 P CB 0.574 32.304 31.700 0.051 0.000 0.875 122 V N 3.481 123.420 119.914 0.042 0.000 2.540 122 V HA 0.357 4.477 4.120 -0.000 0.000 0.302 122 V C -0.055 176.007 176.094 -0.054 0.000 1.035 122 V CA -0.553 61.742 62.300 -0.009 0.000 0.873 122 V CB 2.184 33.998 31.823 -0.015 0.000 0.992 122 V HN 0.205 nan 8.190 nan 0.000 0.428 123 V N 6.211 126.077 119.914 -0.080 0.000 2.604 123 V HA 0.586 4.706 4.120 -0.000 0.000 0.305 123 V C -0.399 175.617 176.094 -0.131 0.000 1.043 123 V CA -0.510 61.731 62.300 -0.099 0.000 0.888 123 V CB 1.921 33.692 31.823 -0.087 0.000 0.995 123 V HN 0.635 nan 8.190 nan 0.000 0.429 124 L N 4.082 125.216 121.223 -0.148 0.000 2.370 124 L HA 0.663 5.003 4.340 -0.000 0.000 0.266 124 L C -0.829 175.982 176.870 -0.099 0.000 1.002 124 L CA -0.665 54.078 54.840 -0.161 0.000 0.818 124 L CB 2.249 44.156 42.059 -0.253 0.000 1.325 124 L HN 0.674 nan 8.230 nan 0.000 0.418 125 H N 2.040 121.014 119.070 -0.160 0.000 2.667 125 H HA 0.350 4.906 4.556 -0.000 0.000 0.353 125 H C -1.599 173.690 175.328 -0.065 0.000 1.072 125 H CA -0.561 55.419 56.048 -0.114 0.000 1.214 125 H CB 2.488 32.182 29.762 -0.114 0.000 1.600 125 H HN 0.579 nan 8.280 nan 0.000 0.527 126 E N 3.210 123.070 120.200 -0.567 0.000 2.151 126 E HA 0.158 4.507 4.350 -0.000 0.000 0.275 126 E C -0.079 176.260 176.600 -0.434 0.000 0.936 126 E CA -0.369 55.866 56.400 -0.274 0.000 0.777 126 E CB 1.621 31.337 29.700 0.026 0.000 1.108 126 E HN 0.637 nan 8.360 nan 0.000 0.401 127 Q N 2.147 121.891 119.800 -0.094 0.000 2.269 127 Q HA 0.188 4.528 4.340 -0.000 0.000 0.201 127 Q C -0.360 175.663 176.000 0.039 0.000 0.946 127 Q CA 0.799 56.607 55.803 0.009 0.000 0.877 127 Q CB 0.183 29.018 28.738 0.163 0.000 0.963 127 Q HN 0.470 nan 8.270 nan 0.000 0.472 128 N N -1.481 117.289 118.700 0.116 0.000 2.459 128 N HA 0.395 5.135 4.740 -0.000 0.000 0.288 128 N C 0.639 176.313 175.510 0.273 0.000 1.186 128 N CA -0.027 53.181 53.050 0.263 0.000 0.917 128 N CB 0.930 39.526 38.487 0.182 0.000 1.219 128 N HN 0.047 nan 8.380 nan 0.000 0.525 129 G N -0.547 108.475 108.800 0.370 0.000 2.586 129 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.215 129 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.215 129 G C 0.043 174.957 174.900 0.023 0.000 1.128 129 G CA 0.903 46.145 45.100 0.238 0.000 0.774 129 G HN 0.474 nan 8.290 nan 0.000 0.543 130 I N 0.139 120.722 120.570 0.022 0.000 2.500 130 I HA 0.705 4.875 4.170 -0.000 0.000 0.286 130 I C 0.096 176.153 176.117 -0.100 0.000 1.063 130 I CA -1.852 59.390 61.300 -0.096 0.000 1.062 130 I CB 1.089 39.082 38.000 -0.012 0.000 1.223 130 I HN 0.083 nan 8.210 nan 0.000 0.435 131 A N 5.100 127.762 122.820 -0.265 0.000 2.520 131 A HA 0.573 4.893 4.320 -0.000 0.000 0.235 131 A C 0.761 178.290 177.584 -0.091 0.000 1.065 131 A CA 0.521 52.412 52.037 -0.243 0.000 0.764 131 A CB -0.487 18.151 19.000 -0.603 0.000 1.002 131 A HN 1.066 nan 8.150 nan 0.000 0.502 132 G N -0.385 108.401 108.800 -0.023 0.000 2.563 132 G HA2 0.405 4.364 3.960 -0.000 0.000 0.283 132 G HA3 0.405 4.364 3.960 -0.000 0.000 0.283 132 G C 0.848 175.763 174.900 0.026 0.000 1.309 132 G CA 0.022 45.128 45.100 0.010 0.000 1.022 132 G HN 0.940 nan 8.290 nan 0.000 0.501 133 L N -0.190 121.072 121.223 0.065 0.000 1.932 133 L HA -0.090 4.250 4.340 -0.000 0.000 0.217 133 L C 3.094 180.074 176.870 0.184 0.000 1.077 133 L CA 3.094 58.035 54.840 0.168 0.000 0.765 133 L CB -1.131 41.068 42.059 0.232 0.000 0.888 133 L HN 0.610 nan 8.230 nan 0.000 0.433 134 T N -0.165 114.451 114.554 0.104 0.000 2.624 134 T HA -0.277 4.073 4.350 -0.000 0.000 0.268 134 T C 1.771 176.127 174.700 -0.574 0.000 1.041 134 T CA 2.260 64.229 62.100 -0.218 0.000 1.159 134 T CB -0.816 67.973 68.868 -0.132 0.000 0.863 134 T HN 0.486 nan 8.240 nan 0.000 0.434 135 N N 0.184 118.734 118.700 -0.251 0.000 2.166 135 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 135 N C 1.972 177.526 175.510 0.072 0.000 1.019 135 N CA 0.837 53.809 53.050 -0.130 0.000 0.856 135 N CB -0.090 38.428 38.487 0.051 0.000 0.993 135 N HN 0.210 nan 8.380 nan 0.000 0.426 136 K N 1.431 121.895 120.400 0.106 0.000 2.001 136 K HA -0.179 4.141 4.320 -0.000 0.000 0.214 136 K C 1.987 178.725 176.600 0.229 0.000 1.050 136 K CA 1.729 58.138 56.287 0.203 0.000 0.934 136 K CB -0.348 32.232 32.500 0.133 0.000 0.718 136 K HN 0.445 nan 8.250 nan 0.000 0.443 137 W N -0.433 120.907 121.300 0.066 0.000 2.480 137 W HA -0.007 4.653 4.660 -0.000 0.000 0.299 137 W C 1.415 177.901 176.519 -0.055 0.000 1.187 137 W CA -0.083 57.264 57.345 0.004 0.000 1.347 137 W CB -1.093 28.360 29.460 -0.011 0.000 1.121 137 W HN 0.023 nan 8.180 nan 0.000 0.533 138 L N 2.995 123.744 121.223 -0.790 0.000 2.351 138 L HA -0.077 4.263 4.340 -0.000 0.000 0.220 138 L C 2.365 178.988 176.870 -0.412 0.000 1.127 138 L CA 2.040 56.394 54.840 -0.809 0.000 0.786 138 L CB -1.117 40.325 42.059 -1.028 0.000 0.914 138 L HN 0.117 nan 8.230 nan 0.000 0.443 139 A N -1.757 120.886 122.820 -0.296 0.000 2.235 139 A HA -0.096 4.224 4.320 -0.000 0.000 0.208 139 A C 2.275 179.724 177.584 -0.224 0.000 1.172 139 A CA 0.855 52.699 52.037 -0.322 0.000 0.786 139 A CB -0.477 18.251 19.000 -0.453 0.000 0.804 139 A HN 0.468 nan 8.150 nan 0.000 0.479 140 K N 0.049 120.348 120.400 -0.169 0.000 2.334 140 K HA 0.201 4.520 4.320 -0.000 0.000 0.195 140 K C 1.057 177.516 176.600 -0.236 0.000 1.045 140 K CA 0.703 56.905 56.287 -0.141 0.000 1.004 140 K CB 0.023 32.480 32.500 -0.071 0.000 0.837 140 K HN 0.654 nan 8.250 nan 0.000 0.510 141 I N -1.959 118.375 120.570 -0.394 0.000 3.816 141 I HA 0.402 4.572 4.170 -0.000 0.000 0.334 141 I C -0.162 175.762 176.117 -0.321 0.000 1.551 141 I CA -0.793 60.131 61.300 -0.628 0.000 1.153 141 I CB 0.871 37.924 38.000 -1.578 0.000 1.197 141 I HN -0.172 nan 8.210 nan 0.000 0.439 142 A N 0.655 123.347 122.820 -0.214 0.000 2.303 142 A HA 0.612 4.932 4.320 -0.000 0.000 0.317 142 A C 0.963 178.501 177.584 -0.077 0.000 1.149 142 A CA -0.292 51.657 52.037 -0.148 0.000 0.822 142 A CB 0.916 19.784 19.000 -0.220 0.000 1.131 142 A HN 0.325 nan 8.150 nan 0.000 0.493 143 T N 0.436 114.968 114.554 -0.037 0.000 2.894 143 T HA 0.077 4.427 4.350 -0.000 0.000 0.258 143 T C 0.682 175.354 174.700 -0.046 0.000 1.043 143 T CA 1.392 63.484 62.100 -0.012 0.000 1.141 143 T CB -0.092 68.785 68.868 0.015 0.000 0.873 143 T HN 0.542 nan 8.240 nan 0.000 0.449 144 K N 1.141 121.498 120.400 -0.073 0.000 2.422 144 K HA 0.603 4.922 4.320 -0.000 0.000 0.251 144 K C -1.913 174.602 176.600 -0.142 0.000 0.933 144 K CA -0.901 55.333 56.287 -0.088 0.000 0.798 144 K CB 2.019 34.482 32.500 -0.061 0.000 1.238 144 K HN -0.133 nan 8.250 nan 0.000 0.428 145 V N 5.052 124.866 119.914 -0.167 0.000 2.531 145 V HA 0.576 4.696 4.120 -0.000 0.000 0.301 145 V C -0.553 175.435 176.094 -0.178 0.000 1.034 145 V CA -0.654 61.497 62.300 -0.249 0.000 0.865 145 V CB 1.595 33.171 31.823 -0.412 0.000 0.995 145 V HN 0.784 nan 8.190 nan 0.000 0.424 146 M N 4.839 124.344 119.600 -0.157 0.000 2.591 146 M HA 0.662 5.142 4.480 -0.000 0.000 0.306 146 M C -0.925 175.269 176.300 -0.177 0.000 1.190 146 M CA -0.582 54.659 55.300 -0.098 0.000 0.889 146 M CB 2.615 35.215 32.600 -0.001 0.000 1.728 146 M HN 0.784 nan 8.290 nan 0.000 0.458 147 Q N 0.678 120.386 119.800 -0.152 0.000 2.389 147 Q HA 0.757 5.097 4.340 -0.000 0.000 0.277 147 Q C -0.411 175.448 176.000 -0.236 0.000 1.082 147 Q CA -0.876 54.789 55.803 -0.230 0.000 0.810 147 Q CB 2.081 30.796 28.738 -0.037 0.000 1.374 147 Q HN 0.781 nan 8.270 nan 0.000 0.422 148 A N 1.902 124.492 122.820 -0.383 0.000 1.897 148 A HA 0.195 4.515 4.320 -0.000 0.000 0.215 148 A C 0.022 177.259 177.584 -0.578 0.000 1.181 148 A CA 0.823 52.544 52.037 -0.526 0.000 0.620 148 A CB -0.115 18.371 19.000 -0.857 0.000 0.821 148 A HN 0.588 nan 8.150 nan 0.000 0.443 149 F N -1.207 118.736 119.950 -0.012 0.000 2.546 149 F HA 0.500 5.027 4.527 -0.000 0.000 0.320 149 F C -2.609 173.186 175.800 -0.008 0.000 1.076 149 F CA -2.790 55.209 58.000 -0.002 0.000 0.928 149 F CB 1.538 40.544 39.000 0.009 0.000 1.189 149 F HN -0.179 nan 8.300 nan 0.000 0.465 150 P HA 0.241 nan 4.420 nan 0.000 0.271 150 P C 0.486 177.815 177.300 0.048 0.000 1.216 150 P CA 0.589 63.747 63.100 0.096 0.000 0.776 150 P CB 0.852 32.603 31.700 0.085 0.000 0.881 151 G N 1.924 110.716 108.800 -0.014 0.000 2.179 151 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 151 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 151 G C 0.954 175.732 174.900 -0.203 0.000 0.990 151 G CA 0.258 45.284 45.100 -0.123 0.000 0.646 151 G HN 0.648 nan 8.290 nan 0.000 0.517 152 A N -1.009 121.723 122.820 -0.147 0.000 2.030 152 A HA 0.731 5.051 4.320 -0.000 0.000 0.215 152 A C 0.594 177.827 177.584 -0.584 0.000 1.164 152 A CA 0.994 52.842 52.037 -0.315 0.000 0.697 152 A CB 0.118 19.001 19.000 -0.196 0.000 0.827 152 A HN 0.727 nan 8.150 nan 0.000 0.457 153 F N -2.642 117.257 119.950 -0.085 0.000 2.613 153 F HA 0.444 4.970 4.527 -0.000 0.000 0.310 153 F C -1.714 174.046 175.800 -0.067 0.000 1.085 153 F CA -1.841 56.113 58.000 -0.077 0.000 0.945 153 F CB 1.524 40.476 39.000 -0.080 0.000 1.298 153 F HN -0.140 nan 8.300 nan 0.000 0.455 154 P HA -0.271 nan 4.420 nan 0.000 0.227 154 P C -0.121 177.207 177.300 0.046 0.000 1.141 154 P CA 2.200 65.340 63.100 0.066 0.000 0.964 154 P CB 0.084 31.826 31.700 0.069 0.000 0.784 155 N N -4.915 113.819 118.700 0.057 0.000 2.600 155 N HA 0.212 4.952 4.740 -0.000 0.000 0.246 155 N C -0.734 174.788 175.510 0.021 0.000 1.454 155 N CA -0.094 52.975 53.050 0.032 0.000 1.120 155 N CB -0.606 37.891 38.487 0.016 0.000 1.478 155 N HN 0.040 nan 8.380 nan 0.000 0.541 156 A N 0.567 123.409 122.820 0.036 0.000 2.425 156 A HA 0.215 4.535 4.320 -0.000 0.000 0.242 156 A C 0.475 178.053 177.584 -0.009 0.000 1.077 156 A CA -0.206 51.823 52.037 -0.012 0.000 0.781 156 A CB 0.278 19.263 19.000 -0.025 0.000 1.020 156 A HN 0.467 nan 8.150 nan 0.000 0.494 157 E N 1.366 121.549 120.200 -0.027 0.000 2.415 157 E HA 0.235 4.585 4.350 -0.000 0.000 0.260 157 E C -0.784 175.805 176.600 -0.018 0.000 1.016 157 E CA -0.245 56.144 56.400 -0.018 0.000 0.924 157 E CB 0.349 30.035 29.700 -0.023 0.000 0.961 157 E HN 0.377 nan 8.360 nan 0.000 0.459 158 V N 6.148 126.057 119.914 -0.008 0.000 2.439 158 V HA -0.015 4.105 4.120 -0.000 0.000 0.271 158 V C 0.821 176.904 176.094 -0.017 0.000 1.040 158 V CA 0.112 62.404 62.300 -0.012 0.000 1.002 158 V CB 1.066 32.895 31.823 0.009 0.000 1.000 158 V HN 0.696 nan 8.190 nan 0.000 0.477 159 V N 4.592 124.491 119.914 -0.025 0.000 3.548 159 V HA 0.587 4.707 4.120 -0.000 0.000 0.279 159 V C 0.875 176.953 176.094 -0.028 0.000 1.446 159 V CA 1.073 63.364 62.300 -0.014 0.000 1.023 159 V CB -0.059 31.774 31.823 0.017 0.000 0.820 159 V HN 1.337 nan 8.190 nan 0.000 0.438 160 G N 1.395 110.153 108.800 -0.071 0.000 2.760 160 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.246 160 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.246 160 G C -0.623 174.239 174.900 -0.063 0.000 1.359 160 G CA -0.010 45.008 45.100 -0.136 0.000 0.861 160 G HN 0.529 nan 8.290 nan 0.000 0.541 161 N N 0.764 119.393 118.700 -0.117 0.000 2.417 161 N HA 0.588 5.328 4.740 -0.000 0.000 0.300 161 N C -2.722 172.746 175.510 -0.069 0.000 1.102 161 N CA -1.145 51.873 53.050 -0.052 0.000 0.886 161 N CB 1.762 40.218 38.487 -0.051 0.000 1.203 161 N HN 0.240 nan 8.380 nan 0.000 0.496 162 P HA 0.077 nan 4.420 nan 0.000 0.267 162 P C -0.625 176.658 177.300 -0.029 0.000 1.205 162 P CA 0.017 63.068 63.100 -0.081 0.000 0.765 162 P CB 0.680 32.325 31.700 -0.092 0.000 0.828 163 V N 4.860 124.756 119.914 -0.030 0.000 2.435 163 V HA 0.321 4.440 4.120 -0.000 0.000 0.290 163 V C 0.744 176.835 176.094 -0.005 0.000 1.030 163 V CA -0.914 61.378 62.300 -0.013 0.000 0.881 163 V CB 1.271 33.079 31.823 -0.025 0.000 0.983 163 V HN 0.548 nan 8.190 nan 0.000 0.445 164 R N 2.273 122.774 120.500 0.002 0.000 2.494 164 R HA 0.016 4.356 4.340 -0.000 0.000 0.291 164 R C 0.824 177.127 176.300 0.005 0.000 0.953 164 R CA 0.331 56.431 56.100 0.000 0.000 1.098 164 R CB -0.452 29.840 30.300 -0.014 0.000 0.911 164 R HN 0.711 nan 8.270 nan 0.000 0.407 165 T N 2.575 117.135 114.554 0.009 0.000 2.653 165 T HA -0.256 4.094 4.350 -0.000 0.000 0.268 165 T C 1.096 175.803 174.700 0.011 0.000 1.035 165 T CA 2.224 64.330 62.100 0.009 0.000 1.154 165 T CB -0.444 68.431 68.868 0.012 0.000 0.862 165 T HN 0.892 nan 8.240 nan 0.000 0.441 166 D N 0.975 121.383 120.400 0.014 0.000 2.265 166 D HA -0.070 4.570 4.640 -0.000 0.000 0.208 166 D C 1.809 178.131 176.300 0.036 0.000 0.977 166 D CA 0.537 54.551 54.000 0.023 0.000 0.871 166 D CB -0.721 40.092 40.800 0.022 0.000 0.925 166 D HN 0.330 nan 8.370 nan 0.000 0.485 167 V N 0.194 120.129 119.914 0.036 0.000 2.535 167 V HA -0.045 4.075 4.120 -0.000 0.000 0.246 167 V C 2.529 178.625 176.094 0.004 0.000 1.045 167 V CA 0.731 63.053 62.300 0.037 0.000 1.058 167 V CB -0.371 31.468 31.823 0.026 0.000 0.689 167 V HN 0.243 nan 8.190 nan 0.000 0.461 168 L N 0.430 121.651 121.223 -0.003 0.000 2.131 168 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 168 L C 2.449 179.317 176.870 -0.002 0.000 1.092 168 L CA 1.476 56.309 54.840 -0.011 0.000 0.759 168 L CB -0.635 41.417 42.059 -0.011 0.000 0.903 168 L HN 0.371 nan 8.230 nan 0.000 0.435 169 A N -0.340 122.484 122.820 0.007 0.000 2.239 169 A HA 0.093 4.413 4.320 -0.000 0.000 0.209 169 A C 1.062 178.655 177.584 0.015 0.000 1.171 169 A CA 0.199 52.243 52.037 0.011 0.000 0.768 169 A CB -0.550 18.459 19.000 0.015 0.000 0.790 169 A HN 0.252 nan 8.150 nan 0.000 0.478 170 L N 0.278 121.510 121.223 0.015 0.000 2.436 170 L HA 0.250 4.590 4.340 -0.000 0.000 0.265 170 L C -1.979 174.897 176.870 0.009 0.000 1.168 170 L CA -1.842 53.009 54.840 0.019 0.000 0.815 170 L CB 0.340 42.412 42.059 0.022 0.000 1.109 170 L HN 0.094 nan 8.230 nan 0.000 0.462 171 P HA 0.157 nan 4.420 nan 0.000 0.274 171 P C -0.683 176.614 177.300 -0.005 0.000 1.256 171 P CA -0.644 62.459 63.100 0.004 0.000 0.795 171 P CB 0.463 32.169 31.700 0.009 0.000 1.038 172 L N 2.036 123.253 121.223 -0.010 0.000 2.472 172 L HA 0.126 4.466 4.340 -0.000 0.000 0.260 172 L C -1.232 175.624 176.870 -0.023 0.000 1.209 172 L CA -1.587 53.242 54.840 -0.019 0.000 0.817 172 L CB -0.605 41.442 42.059 -0.019 0.000 1.106 172 L HN 0.300 nan 8.230 nan 0.000 0.479 173 P HA -0.185 nan 4.420 nan 0.000 0.215 173 P C 1.491 178.770 177.300 -0.036 0.000 1.157 173 P CA 1.175 64.250 63.100 -0.041 0.000 0.874 173 P CB 0.228 31.896 31.700 -0.053 0.000 0.790 174 Q N -0.185 119.596 119.800 -0.032 0.000 1.998 174 Q HA -0.261 4.079 4.340 -0.000 0.000 0.209 174 Q C 2.240 178.226 176.000 -0.023 0.000 1.002 174 Q CA 1.890 57.676 55.803 -0.028 0.000 0.858 174 Q CB -1.067 27.657 28.738 -0.023 0.000 0.932 174 Q HN 0.467 nan 8.270 nan 0.000 0.416 175 Q N -0.069 119.721 119.800 -0.017 0.000 2.173 175 Q HA -0.221 4.119 4.340 -0.000 0.000 0.208 175 Q C 1.828 177.821 176.000 -0.011 0.000 0.989 175 Q CA 1.964 57.760 55.803 -0.011 0.000 0.872 175 Q CB -0.294 28.440 28.738 -0.007 0.000 0.909 175 Q HN 0.422 nan 8.270 nan 0.000 0.420 176 R N -0.748 119.743 120.500 -0.014 0.000 2.397 176 R HA 0.185 4.525 4.340 -0.000 0.000 0.241 176 R C 1.300 177.582 176.300 -0.030 0.000 0.914 176 R CA 0.096 56.188 56.100 -0.014 0.000 1.071 176 R CB 0.354 30.653 30.300 -0.001 0.000 1.116 176 R HN 0.159 nan 8.270 nan 0.000 0.524 177 L N 0.124 121.324 121.223 -0.038 0.000 2.577 177 L HA 0.445 4.785 4.340 -0.000 0.000 0.225 177 L C 0.776 177.619 176.870 -0.046 0.000 1.053 177 L CA -0.201 54.607 54.840 -0.053 0.000 0.866 177 L CB 0.285 42.307 42.059 -0.062 0.000 1.132 177 L HN 0.133 nan 8.230 nan 0.000 0.486 178 A N 0.450 123.249 122.820 -0.036 0.000 2.404 178 A HA 0.490 4.810 4.320 -0.000 0.000 0.273 178 A C 1.104 178.674 177.584 -0.025 0.000 1.144 178 A CA 0.753 52.772 52.037 -0.029 0.000 0.806 178 A CB -0.024 18.961 19.000 -0.024 0.000 1.080 178 A HN 0.539 nan 8.150 nan 0.000 0.509 179 G N 2.263 111.049 108.800 -0.024 0.000 2.253 179 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.209 179 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.209 179 G C 0.405 175.292 174.900 -0.022 0.000 0.997 179 G CA -0.093 44.996 45.100 -0.019 0.000 0.640 179 G HN 0.822 nan 8.290 nan 0.000 0.496 180 R N 1.285 121.765 120.500 -0.032 0.000 2.491 180 R HA 0.513 4.853 4.340 -0.000 0.000 0.283 180 R C -0.022 176.258 176.300 -0.033 0.000 1.072 180 R CA 0.377 56.453 56.100 -0.040 0.000 1.048 180 R CB 0.538 30.799 30.300 -0.065 0.000 0.983 180 R HN 0.503 nan 8.270 nan 0.000 0.450 181 E N 0.320 120.504 120.200 -0.027 0.000 2.320 181 E HA 0.577 4.927 4.350 -0.000 0.000 0.264 181 E C -0.140 176.450 176.600 -0.018 0.000 0.923 181 E CA -0.774 55.615 56.400 -0.018 0.000 0.796 181 E CB 2.026 31.720 29.700 -0.010 0.000 1.262 181 E HN 0.707 nan 8.360 nan 0.000 0.428 182 G N 1.160 109.955 108.800 -0.009 0.000 2.698 182 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.225 182 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.225 182 G C -2.505 172.393 174.900 -0.003 0.000 1.345 182 G CA -1.211 43.887 45.100 -0.002 0.000 0.871 182 G HN 0.455 nan 8.290 nan 0.000 0.540 183 P HA 0.292 nan 4.420 nan 0.000 0.263 183 P C 0.372 177.669 177.300 -0.005 0.000 1.168 183 P CA -0.314 62.800 63.100 0.023 0.000 0.759 183 P CB 0.474 32.205 31.700 0.051 0.000 0.782 184 V N 5.472 125.387 119.914 0.000 0.000 2.555 184 V HA 0.056 4.176 4.120 -0.000 0.000 0.286 184 V C 1.099 177.158 176.094 -0.059 0.000 1.044 184 V CA 0.008 62.287 62.300 -0.035 0.000 1.026 184 V CB 0.129 31.957 31.823 0.009 0.000 0.981 184 V HN 0.442 nan 8.190 nan 0.000 0.480 185 R N 4.078 124.446 120.500 -0.220 0.000 2.248 185 R HA 0.382 4.722 4.340 -0.000 0.000 0.337 185 R C -0.924 175.265 176.300 -0.186 0.000 1.085 185 R CA -0.351 55.495 56.100 -0.423 0.000 0.934 185 R CB 0.646 30.139 30.300 -1.344 0.000 1.034 185 R HN 0.499 nan 8.270 nan 0.000 0.465 186 V N 5.502 125.500 119.914 0.139 0.000 2.370 186 V HA 0.192 4.312 4.120 -0.000 0.000 0.279 186 V C -0.300 176.015 176.094 0.368 0.000 1.029 186 V CA -0.836 61.580 62.300 0.193 0.000 0.870 186 V CB 1.348 33.250 31.823 0.132 0.000 0.984 186 V HN 0.494 nan 8.190 nan 0.000 0.451 187 L N 6.983 128.384 121.223 0.298 0.000 2.265 187 L HA 0.568 4.908 4.340 -0.000 0.000 0.289 187 L C -0.314 176.562 176.870 0.010 0.000 1.033 187 L CA 0.207 55.165 54.840 0.197 0.000 0.814 187 L CB 1.500 43.640 42.059 0.134 0.000 1.203 187 L HN 0.438 nan 8.230 nan 0.000 0.423 188 V N 6.581 126.448 119.914 -0.077 0.000 2.333 188 V HA 0.461 4.581 4.120 -0.000 0.000 0.274 188 V C -0.211 175.718 176.094 -0.276 0.000 1.028 188 V CA -0.418 61.762 62.300 -0.200 0.000 0.851 188 V CB 1.392 32.987 31.823 -0.379 0.000 1.000 188 V HN 0.561 nan 8.190 nan 0.000 0.456 189 V N 3.525 123.320 119.914 -0.198 0.000 2.628 189 V HA 0.759 4.879 4.120 -0.000 0.000 0.306 189 V C 0.732 176.764 176.094 -0.104 0.000 1.045 189 V CA -0.350 61.837 62.300 -0.187 0.000 0.905 189 V CB 2.038 33.744 31.823 -0.195 0.000 0.997 189 V HN 0.827 nan 8.190 nan 0.000 0.436 190 G N 1.735 110.495 108.800 -0.068 0.000 5.001 190 G HA2 0.595 4.555 3.960 -0.000 0.000 0.304 190 G HA3 0.595 4.555 3.960 -0.000 0.000 0.304 190 G C 0.411 175.324 174.900 0.022 0.000 1.400 190 G CA 0.280 45.379 45.100 -0.001 0.000 1.029 190 G HN 1.484 nan 8.290 nan 0.000 0.584 191 G N 0.521 109.328 108.800 0.012 0.000 2.877 191 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.279 191 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.279 191 G C 1.332 176.266 174.900 0.057 0.000 1.431 191 G CA 0.331 45.447 45.100 0.028 0.000 0.883 191 G HN 1.553 nan 8.290 nan 0.000 0.547 192 S N -1.035 114.730 115.700 0.109 0.000 2.547 192 S HA -0.021 4.449 4.470 -0.000 0.000 0.235 192 S C 1.536 176.271 174.600 0.225 0.000 0.980 192 S CA 1.952 60.303 58.200 0.252 0.000 0.941 192 S CB 0.141 63.493 63.200 0.254 0.000 0.763 192 S HN 0.684 nan 8.310 nan 0.000 0.532 193 Q N 0.669 120.540 119.800 0.119 0.000 2.280 193 Q HA 0.368 4.708 4.340 -0.000 0.000 0.228 193 Q C 1.001 177.059 176.000 0.098 0.000 0.857 193 Q CA 0.605 56.464 55.803 0.094 0.000 0.939 193 Q CB 0.575 29.338 28.738 0.041 0.000 1.114 193 Q HN 0.681 nan 8.270 nan 0.000 0.514 194 G N 1.182 110.038 108.800 0.092 0.000 2.721 194 G HA2 0.079 4.038 3.960 -0.000 0.000 0.686 194 G HA3 0.079 4.038 3.960 -0.000 0.000 0.686 194 G C -0.817 174.138 174.900 0.091 0.000 1.236 194 G CA -0.438 44.719 45.100 0.094 0.000 0.786 194 G HN 0.403 nan 8.290 nan 0.000 0.616 195 A N 2.272 125.150 122.820 0.098 0.000 2.304 195 A HA 0.803 5.122 4.320 -0.000 0.000 0.314 195 A C 1.164 178.816 177.584 0.113 0.000 1.187 195 A CA 0.566 52.668 52.037 0.109 0.000 0.810 195 A CB 1.180 20.245 19.000 0.109 0.000 1.183 195 A HN 1.248 nan 8.150 nan 0.000 0.487 196 R N 1.958 122.520 120.500 0.104 0.000 2.103 196 R HA -0.194 4.146 4.340 -0.000 0.000 0.242 196 R C 1.572 177.918 176.300 0.076 0.000 1.142 196 R CA 2.211 58.362 56.100 0.086 0.000 0.960 196 R CB -0.241 30.103 30.300 0.073 0.000 0.858 196 R HN 0.788 nan 8.270 nan 0.000 0.439 197 I N 0.948 121.563 120.570 0.075 0.000 2.264 197 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 197 I C 2.280 178.434 176.117 0.062 0.000 1.111 197 I CA 1.688 63.022 61.300 0.057 0.000 1.382 197 I CB -0.201 37.829 38.000 0.050 0.000 1.060 197 I HN 0.202 nan 8.210 nan 0.000 0.418 198 L N -0.807 120.465 121.223 0.082 0.000 2.270 198 L HA -0.001 4.338 4.340 -0.000 0.000 0.210 198 L C 2.111 179.103 176.870 0.203 0.000 1.104 198 L CA 1.794 56.689 54.840 0.092 0.000 0.804 198 L CB -2.047 40.028 42.059 0.026 0.000 0.937 198 L HN 0.360 nan 8.230 nan 0.000 0.450 199 N N -0.593 118.232 118.700 0.208 0.000 2.453 199 N HA -0.141 4.599 4.740 -0.000 0.000 0.183 199 N C 1.855 177.371 175.510 0.009 0.000 1.041 199 N CA 1.424 54.578 53.050 0.174 0.000 0.900 199 N CB 0.030 38.585 38.487 0.113 0.000 0.961 199 N HN 0.816 nan 8.380 nan 0.000 0.443 200 Q N -1.241 118.570 119.800 0.019 0.000 2.390 200 Q HA 0.177 4.517 4.340 -0.000 0.000 0.216 200 Q C 1.494 177.474 176.000 -0.033 0.000 0.916 200 Q CA 0.636 56.422 55.803 -0.028 0.000 0.911 200 Q CB 0.365 29.097 28.738 -0.009 0.000 1.035 200 Q HN 0.193 nan 8.270 nan 0.000 0.541 201 T N 0.980 115.536 114.554 0.003 0.000 2.770 201 T HA -0.062 4.288 4.350 -0.000 0.000 0.258 201 T C 1.777 176.478 174.700 0.001 0.000 1.039 201 T CA 0.832 62.933 62.100 0.002 0.000 1.143 201 T CB -0.027 68.851 68.868 0.016 0.000 0.866 201 T HN 0.087 nan 8.240 nan 0.000 0.428 202 M N 0.823 120.450 119.600 0.044 0.000 2.082 202 M HA -0.042 4.438 4.480 -0.000 0.000 0.258 202 M C -0.735 175.559 176.300 -0.010 0.000 1.069 202 M CA 1.455 56.808 55.300 0.088 0.000 1.102 202 M CB -2.518 30.239 32.600 0.262 0.000 1.336 202 M HN 0.120 nan 8.290 nan 0.000 0.404 203 P HA -0.165 nan 4.420 nan 0.000 0.216 203 P C 1.565 178.804 177.300 -0.101 0.000 1.153 203 P CA 1.324 64.115 63.100 -0.515 0.000 0.858 203 P CB -0.051 31.276 31.700 -0.621 0.000 0.789 204 Q N -0.952 118.810 119.800 -0.063 0.000 2.119 204 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 204 Q C 2.080 178.097 176.000 0.028 0.000 0.972 204 Q CA 1.149 56.947 55.803 -0.009 0.000 0.847 204 Q CB -1.357 27.372 28.738 -0.016 0.000 0.903 204 Q HN 0.074 nan 8.270 nan 0.000 0.433 205 V N 0.532 120.467 119.914 0.034 0.000 2.392 205 V HA -0.283 3.836 4.120 -0.000 0.000 0.249 205 V C 2.123 178.265 176.094 0.080 0.000 1.059 205 V CA 1.778 64.106 62.300 0.046 0.000 1.051 205 V CB -1.208 30.642 31.823 0.045 0.000 0.658 205 V HN 0.401 nan 8.190 nan 0.000 0.455 206 A N 0.124 123.028 122.820 0.140 0.000 1.898 206 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 206 A C 2.431 180.125 177.584 0.184 0.000 1.181 206 A CA 1.766 53.926 52.037 0.204 0.000 0.620 206 A CB -0.740 18.495 19.000 0.392 0.000 0.819 206 A HN 0.569 nan 8.150 nan 0.000 0.442 207 A N -0.330 122.577 122.820 0.146 0.000 2.024 207 A HA -0.159 4.160 4.320 -0.000 0.000 0.220 207 A C 2.076 179.705 177.584 0.075 0.000 1.164 207 A CA 1.866 53.966 52.037 0.105 0.000 0.643 207 A CB -0.325 18.717 19.000 0.070 0.000 0.806 207 A HN 0.554 nan 8.150 nan 0.000 0.451 208 K N -0.944 119.493 120.400 0.063 0.000 2.262 208 K HA 0.264 4.584 4.320 -0.000 0.000 0.200 208 K C 1.472 178.099 176.600 0.045 0.000 1.049 208 K CA 0.477 56.789 56.287 0.041 0.000 0.979 208 K CB -0.014 32.499 32.500 0.023 0.000 0.773 208 K HN 0.435 nan 8.250 nan 0.000 0.474 209 L N -0.158 121.103 121.223 0.064 0.000 2.416 209 L HA 0.118 4.458 4.340 -0.000 0.000 0.216 209 L C 1.394 178.312 176.870 0.080 0.000 1.098 209 L CA 0.306 55.183 54.840 0.062 0.000 0.840 209 L CB -0.618 41.478 42.059 0.062 0.000 0.981 209 L HN 0.314 nan 8.230 nan 0.000 0.462 210 G N 1.172 110.037 108.800 0.108 0.000 2.614 210 G HA2 -0.526 3.433 3.960 -0.000 0.000 0.303 210 G HA3 -0.526 3.433 3.960 -0.000 0.000 0.303 210 G C 0.623 175.593 174.900 0.117 0.000 1.270 210 G CA 0.638 45.803 45.100 0.108 0.000 0.988 210 G HN 0.355 nan 8.290 nan 0.000 0.551 211 D N -0.047 120.399 120.400 0.077 0.000 2.378 211 D HA 0.284 4.924 4.640 -0.000 0.000 0.227 211 D C 2.562 178.903 176.300 0.069 0.000 1.012 211 D CA 2.113 56.154 54.000 0.068 0.000 0.905 211 D CB -0.450 40.364 40.800 0.023 0.000 0.895 211 D HN 1.483 nan 8.370 nan 0.000 0.532 212 S N -0.838 114.903 115.700 0.068 0.000 2.522 212 S HA 0.236 4.705 4.470 -0.000 0.000 0.227 212 S C 0.861 175.501 174.600 0.067 0.000 0.986 212 S CA 0.707 58.941 58.200 0.056 0.000 0.929 212 S CB -0.560 62.667 63.200 0.044 0.000 0.769 212 S HN 1.165 nan 8.310 nan 0.000 0.529 213 V N -2.625 117.349 119.914 0.099 0.000 3.114 213 V HA 0.805 4.925 4.120 -0.000 0.000 0.308 213 V C -0.810 175.403 176.094 0.198 0.000 1.168 213 V CA -0.461 61.906 62.300 0.111 0.000 1.015 213 V CB 1.492 33.365 31.823 0.083 0.000 1.050 213 V HN 0.091 nan 8.190 nan 0.000 0.433 214 T N 3.503 118.180 114.554 0.205 0.000 2.809 214 T HA 0.728 5.078 4.350 -0.000 0.000 0.284 214 T C -0.739 174.163 174.700 0.337 0.000 0.992 214 T CA -0.390 61.911 62.100 0.335 0.000 0.957 214 T CB 0.435 69.493 68.868 0.316 0.000 0.942 214 T HN 0.700 nan 8.240 nan 0.000 0.439 215 I N 4.376 125.059 120.570 0.188 0.000 2.460 215 I HA 0.492 4.662 4.170 -0.000 0.000 0.298 215 I C -0.848 175.395 176.117 0.210 0.000 0.989 215 I CA -0.961 60.390 61.300 0.086 0.000 1.173 215 I CB 1.573 39.344 38.000 -0.382 0.000 1.338 215 I HN 0.596 nan 8.210 nan 0.000 0.456 216 W N 7.012 128.321 121.300 0.016 0.000 2.391 216 W HA 0.364 5.024 4.660 -0.000 0.000 0.312 216 W C -1.226 175.276 176.519 -0.029 0.000 1.003 216 W CA -1.133 56.119 57.345 -0.156 0.000 1.375 216 W CB 0.635 29.770 29.460 -0.542 0.000 1.253 216 W HN 0.502 nan 8.180 nan 0.000 0.416 217 H N 3.979 123.236 119.070 0.311 0.000 2.519 217 H HA 0.207 4.763 4.556 -0.000 0.000 0.316 217 H C -0.117 175.303 175.328 0.154 0.000 1.065 217 H CA -0.248 55.917 56.048 0.195 0.000 1.264 217 H CB 1.171 31.104 29.762 0.285 0.000 1.413 217 H HN 0.287 nan 8.280 nan 0.000 0.465 218 Q N 4.182 124.064 119.800 0.136 0.000 2.390 218 Q HA 0.068 4.407 4.340 -0.000 0.000 0.249 218 Q C 0.164 176.313 176.000 0.249 0.000 0.996 218 Q CA -0.182 55.681 55.803 0.101 0.000 0.899 218 Q CB 1.064 29.706 28.738 -0.160 0.000 1.216 218 Q HN 0.875 nan 8.270 nan 0.000 0.465 219 S N 2.404 118.293 115.700 0.315 0.000 2.528 219 S HA 0.247 4.717 4.470 -0.000 0.000 0.219 219 S C 0.817 175.519 174.600 0.170 0.000 0.985 219 S CA 0.459 58.819 58.200 0.268 0.000 0.914 219 S CB -0.066 63.230 63.200 0.160 0.000 0.776 219 S HN 0.987 nan 8.310 nan 0.000 0.526 220 G N 0.960 109.854 108.800 0.157 0.000 2.730 220 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.686 220 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.686 220 G C -0.783 174.194 174.900 0.128 0.000 1.343 220 G CA -0.533 44.657 45.100 0.149 0.000 0.826 220 G HN 0.564 nan 8.290 nan 0.000 0.582 221 K N 0.697 121.162 120.400 0.109 0.000 2.448 221 K HA 0.515 4.834 4.320 -0.000 0.000 0.278 221 K C 1.536 178.172 176.600 0.059 0.000 1.009 221 K CA 1.756 58.087 56.287 0.074 0.000 0.995 221 K CB 0.258 32.783 32.500 0.041 0.000 0.917 221 K HN 2.428 nan 8.250 nan 0.000 0.481 222 G N 2.371 111.202 108.800 0.051 0.000 2.148 222 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 222 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 222 G C 0.145 175.070 174.900 0.042 0.000 0.981 222 G CA 0.550 45.674 45.100 0.041 0.000 0.670 222 G HN 0.547 nan 8.290 nan 0.000 0.528 223 S N -0.846 114.885 115.700 0.052 0.000 2.937 223 S HA 0.239 4.709 4.470 -0.000 0.000 0.252 223 S C 1.265 175.889 174.600 0.040 0.000 1.022 223 S CA 0.621 58.847 58.200 0.044 0.000 1.079 223 S CB 0.811 64.043 63.200 0.053 0.000 1.035 223 S HN 0.557 nan 8.310 nan 0.000 0.594 224 Q N 1.767 121.597 119.800 0.049 0.000 1.990 224 Q HA -0.199 4.141 4.340 -0.000 0.000 0.200 224 Q C 1.574 177.594 176.000 0.034 0.000 0.980 224 Q CA 1.783 57.617 55.803 0.051 0.000 0.832 224 Q CB -0.063 28.710 28.738 0.058 0.000 0.897 224 Q HN 0.359 nan 8.270 nan 0.000 0.427 225 Q N 0.163 119.980 119.800 0.028 0.000 2.096 225 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 225 Q C 2.128 178.137 176.000 0.014 0.000 0.982 225 Q CA 1.696 57.512 55.803 0.022 0.000 0.850 225 Q CB -0.718 28.030 28.738 0.018 0.000 0.901 225 Q HN 0.315 nan 8.270 nan 0.000 0.422 226 S N -0.280 115.424 115.700 0.008 0.000 2.359 226 S HA -0.177 4.293 4.470 -0.000 0.000 0.222 226 S C 1.949 176.532 174.600 -0.028 0.000 1.038 226 S CA 1.590 59.786 58.200 -0.006 0.000 1.051 226 S CB -0.427 62.771 63.200 -0.003 0.000 0.944 226 S HN 0.227 nan 8.310 nan 0.000 0.433 227 V N 1.867 121.754 119.914 -0.045 0.000 2.343 227 V HA -0.153 3.967 4.120 -0.000 0.000 0.247 227 V C 2.543 178.625 176.094 -0.021 0.000 1.051 227 V CA 2.224 64.455 62.300 -0.116 0.000 1.036 227 V CB -0.942 30.752 31.823 -0.215 0.000 0.654 227 V HN 0.539 nan 8.190 nan 0.000 0.451 228 E N -0.230 120.005 120.200 0.058 0.000 2.070 228 E HA -0.332 4.018 4.350 -0.000 0.000 0.197 228 E C 2.329 178.990 176.600 0.101 0.000 1.004 228 E CA 1.748 58.224 56.400 0.126 0.000 0.805 228 E CB -0.207 29.536 29.700 0.072 0.000 0.744 228 E HN 0.648 nan 8.360 nan 0.000 0.451 229 Q N 0.314 120.138 119.800 0.041 0.000 2.096 229 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 229 Q C 2.144 178.153 176.000 0.015 0.000 0.982 229 Q CA 1.558 57.376 55.803 0.026 0.000 0.850 229 Q CB -0.145 28.598 28.738 0.008 0.000 0.901 229 Q HN 0.261 nan 8.270 nan 0.000 0.422 230 A N -0.332 122.470 122.820 -0.031 0.000 1.933 230 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 230 A C 1.677 179.206 177.584 -0.091 0.000 1.175 230 A CA 1.280 53.261 52.037 -0.093 0.000 0.628 230 A CB -0.826 18.064 19.000 -0.183 0.000 0.814 230 A HN 0.544 nan 8.150 nan 0.000 0.444 231 Y N -0.166 120.140 120.300 0.009 0.000 2.314 231 Y HA -0.007 4.543 4.550 -0.000 0.000 0.293 231 Y C 2.849 178.772 175.900 0.038 0.000 1.129 231 Y CA 0.413 58.542 58.100 0.048 0.000 1.201 231 Y CB -0.587 37.919 38.460 0.076 0.000 0.999 231 Y HN 0.338 nan 8.280 nan 0.000 0.541 232 A N 0.211 123.130 122.820 0.166 0.000 1.883 232 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 232 A C 2.126 179.751 177.584 0.068 0.000 1.186 232 A CA 1.985 54.077 52.037 0.092 0.000 0.624 232 A CB -0.691 18.343 19.000 0.057 0.000 0.822 232 A HN 0.516 nan 8.150 nan 0.000 0.444 233 E N -0.324 119.904 120.200 0.047 0.000 2.033 233 E HA -0.220 4.130 4.350 -0.000 0.000 0.199 233 E C 2.222 178.847 176.600 0.042 0.000 1.011 233 E CA 1.211 57.628 56.400 0.029 0.000 0.815 233 E CB -0.399 29.306 29.700 0.007 0.000 0.755 233 E HN 0.610 nan 8.360 nan 0.000 0.451 234 A N 0.456 123.312 122.820 0.059 0.000 2.186 234 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 234 A C 1.704 179.341 177.584 0.087 0.000 1.159 234 A CA 1.261 53.345 52.037 0.078 0.000 0.680 234 A CB -0.779 18.292 19.000 0.119 0.000 0.787 234 A HN 0.437 nan 8.150 nan 0.000 0.467 235 G N -1.661 107.187 108.800 0.080 0.000 2.248 235 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.263 235 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.263 235 G C -0.223 174.713 174.900 0.060 0.000 1.082 235 G CA 0.275 45.409 45.100 0.057 0.000 0.863 235 G HN 0.499 nan 8.290 nan 0.000 0.495 236 Q N -1.644 118.213 119.800 0.095 0.000 3.180 236 Q HA 0.235 4.575 4.340 -0.000 0.000 0.317 236 Q C -2.075 173.910 176.000 -0.025 0.000 0.824 236 Q CA -1.254 54.571 55.803 0.038 0.000 0.926 236 Q CB 1.556 30.438 28.738 0.241 0.000 1.487 236 Q HN 0.334 nan 8.270 nan 0.000 0.389 237 P HA -0.173 nan 4.420 nan 0.000 0.223 237 P C 1.495 178.715 177.300 -0.135 0.000 1.151 237 P CA 1.025 64.098 63.100 -0.045 0.000 0.787 237 P CB 0.377 32.060 31.700 -0.029 0.000 0.788 238 Q N -0.615 119.039 119.800 -0.244 0.000 2.170 238 Q HA -0.163 4.177 4.340 -0.000 0.000 0.203 238 Q C 0.442 176.267 176.000 -0.292 0.000 0.976 238 Q CA 1.306 56.948 55.803 -0.268 0.000 0.858 238 Q CB -1.394 27.172 28.738 -0.287 0.000 0.907 238 Q HN 0.345 nan 8.270 nan 0.000 0.433 239 H N 1.776 120.724 119.070 -0.202 0.000 2.948 239 H HA 0.132 4.688 4.556 -0.000 0.000 0.351 239 H C -0.171 174.998 175.328 -0.265 0.000 1.079 239 H CA 0.339 56.212 56.048 -0.292 0.000 1.407 239 H CB 0.429 29.829 29.762 -0.605 0.000 1.373 239 H HN 0.138 nan 8.280 nan 0.000 0.605 240 K N 1.717 122.057 120.400 -0.101 0.000 2.172 240 K HA 0.375 4.695 4.320 -0.000 0.000 0.276 240 K C -1.155 175.441 176.600 -0.006 0.000 1.013 240 K CA -0.564 55.619 56.287 -0.173 0.000 0.913 240 K CB 0.751 32.956 32.500 -0.492 0.000 1.055 240 K HN 0.251 nan 8.250 nan 0.000 0.461 241 V N 3.235 123.168 119.914 0.032 0.000 2.525 241 V HA 0.300 4.420 4.120 -0.000 0.000 0.299 241 V C -0.668 175.516 176.094 0.150 0.000 1.034 241 V CA -0.748 61.643 62.300 0.151 0.000 0.863 241 V CB 1.917 33.808 31.823 0.113 0.000 0.999 241 V HN 0.857 nan 8.190 nan 0.000 0.423 242 T N 3.186 117.887 114.554 0.245 0.000 2.876 242 T HA 0.350 4.699 4.350 -0.000 0.000 0.289 242 T C 0.869 175.676 174.700 0.179 0.000 1.014 242 T CA -0.551 61.677 62.100 0.213 0.000 0.986 242 T CB 2.446 71.510 68.868 0.327 0.000 1.021 242 T HN 0.733 nan 8.240 nan 0.000 0.458 243 E N 1.168 121.463 120.200 0.157 0.000 2.028 243 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 243 E C -0.195 176.541 176.600 0.226 0.000 0.988 243 E CA 1.069 57.569 56.400 0.167 0.000 0.799 243 E CB 0.260 30.047 29.700 0.144 0.000 0.755 243 E HN 0.451 nan 8.360 nan 0.000 0.447 244 F N 0.451 120.425 119.950 0.040 0.000 2.787 244 F HA 0.303 4.829 4.527 -0.000 0.000 0.340 244 F C -1.173 174.624 175.800 -0.005 0.000 1.232 244 F CA -0.686 57.317 58.000 0.005 0.000 1.051 244 F CB 0.923 39.923 39.000 0.002 0.000 1.330 244 F HN -0.231 nan 8.300 nan 0.000 0.522 245 I N 6.748 127.039 120.570 -0.464 0.000 2.578 245 I HA 0.013 4.182 4.170 -0.000 0.000 0.286 245 I C 0.688 176.600 176.117 -0.342 0.000 1.126 245 I CA 0.299 61.391 61.300 -0.347 0.000 1.380 245 I CB 0.343 38.014 38.000 -0.549 0.000 1.408 245 I HN 0.609 nan 8.210 nan 0.000 0.532 246 D N 3.516 123.916 120.400 0.001 0.000 2.097 246 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 246 D C 0.836 177.134 176.300 -0.003 0.000 0.984 246 D CA 1.521 55.583 54.000 0.104 0.000 0.826 246 D CB 0.017 40.894 40.800 0.127 0.000 0.973 246 D HN 0.492 nan 8.370 nan 0.000 0.460 247 D N 0.204 120.585 120.400 -0.031 0.000 2.524 247 D HA 0.048 4.688 4.640 -0.000 0.000 0.222 247 D C 1.033 177.246 176.300 -0.146 0.000 1.142 247 D CA -0.240 53.733 54.000 -0.044 0.000 0.973 247 D CB 0.396 41.204 40.800 0.013 0.000 1.025 247 D HN -0.208 nan 8.370 nan 0.000 0.519 248 M N 2.615 122.084 119.600 -0.219 0.000 2.213 248 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 248 M C 1.718 177.852 176.300 -0.277 0.000 1.062 248 M CA 1.246 56.309 55.300 -0.396 0.000 1.105 248 M CB -0.325 32.055 32.600 -0.367 0.000 1.385 248 M HN 0.358 nan 8.290 nan 0.000 0.417 249 A N -0.524 122.271 122.820 -0.041 0.000 1.877 249 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 249 A C 2.361 179.994 177.584 0.082 0.000 1.186 249 A CA 2.038 54.131 52.037 0.093 0.000 0.620 249 A CB -1.395 17.651 19.000 0.077 0.000 0.822 249 A HN 0.570 nan 8.150 nan 0.000 0.443 250 A N -0.191 122.655 122.820 0.045 0.000 1.902 250 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 250 A C 2.496 180.160 177.584 0.134 0.000 1.181 250 A CA 2.193 54.294 52.037 0.107 0.000 0.623 250 A CB -0.992 18.078 19.000 0.116 0.000 0.818 250 A HN 1.066 nan 8.150 nan 0.000 0.443 251 A N -1.425 121.343 122.820 -0.085 0.000 1.902 251 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 251 A C 2.114 179.705 177.584 0.012 0.000 1.181 251 A CA 1.434 53.301 52.037 -0.284 0.000 0.623 251 A CB -0.842 17.570 19.000 -0.978 0.000 0.818 251 A HN 0.644 nan 8.150 nan 0.000 0.443 252 Y N -0.289 120.001 120.300 -0.017 0.000 2.181 252 Y HA -0.179 4.370 4.550 -0.000 0.000 0.288 252 Y C 2.944 178.889 175.900 0.074 0.000 1.146 252 Y CA 0.692 58.801 58.100 0.015 0.000 1.164 252 Y CB -0.171 38.275 38.460 -0.024 0.000 0.982 252 Y HN 0.374 nan 8.280 nan 0.000 0.515 253 A N -0.645 122.333 122.820 0.263 0.000 1.972 253 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 253 A C 1.846 179.558 177.584 0.214 0.000 1.169 253 A CA 1.492 53.642 52.037 0.189 0.000 0.635 253 A CB -1.169 17.927 19.000 0.159 0.000 0.810 253 A HN 0.790 nan 8.150 nan 0.000 0.446 254 W N 0.829 122.186 121.300 0.096 0.000 2.443 254 W HA 0.330 4.990 4.660 -0.000 0.000 0.296 254 W C 1.188 177.766 176.519 0.099 0.000 1.202 254 W CA 0.579 57.994 57.345 0.117 0.000 1.312 254 W CB -0.241 29.345 29.460 0.211 0.000 1.120 254 W HN 0.324 nan 8.180 nan 0.000 0.536 255 A N 1.605 124.556 122.820 0.217 0.000 2.483 255 A HA -0.014 4.305 4.320 -0.000 0.000 0.238 255 A C 0.885 178.344 177.584 -0.208 0.000 1.070 255 A CA 0.799 52.786 52.037 -0.083 0.000 0.770 255 A CB 0.083 19.210 19.000 0.213 0.000 1.008 255 A HN 0.408 nan 8.150 nan 0.000 0.497 256 D N -0.312 119.922 120.400 -0.277 0.000 2.388 256 D HA 0.226 4.866 4.640 -0.000 0.000 0.208 256 D C -0.067 176.165 176.300 -0.113 0.000 1.035 256 D CA 0.961 54.846 54.000 -0.191 0.000 0.875 256 D CB 0.965 41.644 40.800 -0.202 0.000 0.984 256 D HN 0.293 nan 8.370 nan 0.000 0.508 257 V N 0.205 120.078 119.914 -0.069 0.000 3.225 257 V HA 0.373 4.493 4.120 -0.000 0.000 0.293 257 V C -1.766 174.346 176.094 0.031 0.000 1.405 257 V CA -0.659 61.625 62.300 -0.027 0.000 1.038 257 V CB 2.524 34.371 31.823 0.040 0.000 1.123 257 V HN -0.240 nan 8.190 nan 0.000 0.447 258 V N 4.260 124.185 119.914 0.018 0.000 2.735 258 V HA 0.668 4.788 4.120 -0.000 0.000 0.310 258 V C -0.724 175.377 176.094 0.010 0.000 1.061 258 V CA -0.712 61.606 62.300 0.030 0.000 0.913 258 V CB 1.911 33.754 31.823 0.033 0.000 1.005 258 V HN 0.645 nan 8.190 nan 0.000 0.428 259 V N 3.676 123.598 119.914 0.013 0.000 2.350 259 V HA 0.706 4.826 4.120 -0.000 0.000 0.285 259 V C -0.094 175.988 176.094 -0.020 0.000 1.014 259 V CA -0.209 62.097 62.300 0.010 0.000 0.831 259 V CB 1.060 32.897 31.823 0.022 0.000 1.000 259 V HN 1.248 nan 8.190 nan 0.000 0.433 260 C N 3.981 123.277 119.300 -0.006 0.000 3.284 260 C HA 0.690 5.150 4.460 -0.000 0.000 0.348 260 C C -0.440 174.601 174.990 0.084 0.000 1.448 260 C CA -1.238 57.788 59.018 0.013 0.000 1.223 260 C CB 1.828 29.572 27.740 0.006 0.000 1.588 260 C HN 0.730 nan 8.230 nan 0.000 0.451 261 R N 0.859 121.409 120.500 0.083 0.000 2.637 261 R HA 0.443 4.783 4.340 -0.000 0.000 0.269 261 R C 0.298 176.660 176.300 0.104 0.000 1.089 261 R CA -0.041 56.127 56.100 0.114 0.000 1.177 261 R CB 0.697 31.055 30.300 0.097 0.000 1.091 261 R HN 0.848 nan 8.270 nan 0.000 0.540 262 S N 0.375 116.118 115.700 0.073 0.000 2.552 262 S HA 0.107 4.577 4.470 -0.000 0.000 0.246 262 S C 0.605 175.189 174.600 -0.025 0.000 1.019 262 S CA -0.432 57.731 58.200 -0.060 0.000 1.045 262 S CB 0.397 63.507 63.200 -0.151 0.000 0.784 262 S HN 0.752 nan 8.310 nan 0.000 0.453 263 G N 1.018 109.838 108.800 0.033 0.000 2.414 263 G HA2 0.352 4.312 3.960 -0.000 0.000 0.236 263 G HA3 0.352 4.312 3.960 -0.000 0.000 0.236 263 G C 1.098 176.052 174.900 0.090 0.000 1.293 263 G CA -0.019 45.110 45.100 0.048 0.000 0.869 263 G HN 0.393 nan 8.290 nan 0.000 0.556 264 A N 2.567 125.472 122.820 0.142 0.000 1.881 264 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 264 A C 2.459 180.187 177.584 0.241 0.000 1.215 264 A CA 1.933 54.135 52.037 0.276 0.000 0.648 264 A CB -0.542 18.611 19.000 0.256 0.000 0.832 264 A HN 0.675 nan 8.150 nan 0.000 0.455 265 L N -1.306 120.012 121.223 0.159 0.000 2.046 265 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 265 L C 2.760 179.707 176.870 0.128 0.000 1.077 265 L CA 1.764 56.683 54.840 0.133 0.000 0.747 265 L CB -1.178 40.957 42.059 0.127 0.000 0.896 265 L HN 0.363 nan 8.230 nan 0.000 0.432 266 T N -0.338 114.296 114.554 0.133 0.000 2.803 266 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 266 T C 2.014 176.805 174.700 0.153 0.000 1.052 266 T CA 1.169 63.360 62.100 0.152 0.000 1.136 266 T CB -0.151 68.806 68.868 0.147 0.000 0.864 266 T HN 0.068 nan 8.240 nan 0.000 0.467 267 V N 1.129 121.135 119.914 0.153 0.000 2.323 267 V HA -0.126 3.993 4.120 -0.000 0.000 0.244 267 V C 2.665 178.846 176.094 0.146 0.000 1.041 267 V CA 1.653 64.040 62.300 0.145 0.000 1.025 267 V CB -0.664 31.182 31.823 0.037 0.000 0.656 267 V HN 0.415 nan 8.190 nan 0.000 0.451 268 S N -0.463 115.340 115.700 0.172 0.000 2.382 268 S HA -0.212 4.258 4.470 -0.000 0.000 0.228 268 S C 1.879 176.480 174.600 0.002 0.000 1.027 268 S CA 1.536 59.793 58.200 0.095 0.000 0.991 268 S CB -0.234 63.001 63.200 0.057 0.000 0.823 268 S HN 0.693 nan 8.310 nan 0.000 0.469 269 E N 0.887 121.071 120.200 -0.026 0.000 2.028 269 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 269 E C 2.007 178.406 176.600 -0.336 0.000 0.988 269 E CA 1.062 57.368 56.400 -0.158 0.000 0.799 269 E CB -0.283 29.348 29.700 -0.116 0.000 0.755 269 E HN 0.442 nan 8.360 nan 0.000 0.447 270 I N 1.255 121.646 120.570 -0.298 0.000 2.264 270 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 270 I C 2.522 178.530 176.117 -0.181 0.000 1.111 270 I CA 1.011 62.130 61.300 -0.303 0.000 1.382 270 I CB -0.302 37.654 38.000 -0.073 0.000 1.060 270 I HN 0.112 nan 8.210 nan 0.000 0.418 271 A N 0.574 123.342 122.820 -0.087 0.000 1.873 271 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 271 A C 2.532 180.071 177.584 -0.076 0.000 1.186 271 A CA 1.668 53.672 52.037 -0.056 0.000 0.616 271 A CB -0.792 18.210 19.000 0.003 0.000 0.823 271 A HN 0.416 nan 8.150 nan 0.000 0.442 272 A N -0.309 122.460 122.820 -0.085 0.000 1.969 272 A HA 0.235 4.555 4.320 -0.000 0.000 0.218 272 A C 2.387 179.911 177.584 -0.099 0.000 1.169 272 A CA 1.818 53.808 52.037 -0.079 0.000 0.635 272 A CB -0.787 18.172 19.000 -0.069 0.000 0.810 272 A HN 1.015 nan 8.150 nan 0.000 0.445 273 A N -1.251 121.472 122.820 -0.161 0.000 2.066 273 A HA 0.386 4.706 4.320 -0.000 0.000 0.218 273 A C 1.670 179.184 177.584 -0.116 0.000 1.157 273 A CA 1.239 53.182 52.037 -0.157 0.000 0.670 273 A CB -1.011 17.816 19.000 -0.287 0.000 0.804 273 A HN 2.016 nan 8.150 nan 0.000 0.453 274 G N -0.937 107.791 108.800 -0.120 0.000 2.623 274 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.281 274 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.281 274 G C -0.518 174.317 174.900 -0.108 0.000 1.087 274 G CA 0.257 45.299 45.100 -0.098 0.000 1.244 274 G HN 0.565 nan 8.290 nan 0.000 0.544 275 L N 1.377 122.522 121.223 -0.130 0.000 2.401 275 L HA 0.560 4.900 4.340 -0.000 0.000 0.266 275 L C -2.283 174.489 176.870 -0.162 0.000 0.991 275 L CA -2.489 52.273 54.840 -0.130 0.000 0.818 275 L CB 2.989 44.980 42.059 -0.113 0.000 1.321 275 L HN 0.066 nan 8.230 nan 0.000 0.413 276 P HA 0.348 nan 4.420 nan 0.000 0.276 276 P C -1.349 175.781 177.300 -0.283 0.000 1.230 276 P CA -0.214 62.700 63.100 -0.310 0.000 0.776 276 P CB 1.305 32.762 31.700 -0.405 0.000 0.888 277 A N 3.205 125.838 122.820 -0.311 0.000 2.498 277 A HA 0.682 5.002 4.320 -0.000 0.000 0.298 277 A C -1.514 176.012 177.584 -0.097 0.000 1.075 277 A CA -0.744 51.131 52.037 -0.270 0.000 0.714 277 A CB 1.148 19.805 19.000 -0.572 0.000 1.299 277 A HN 0.577 nan 8.150 nan 0.000 0.407 278 L N 2.103 123.329 121.223 0.006 0.000 2.337 278 L HA 0.559 4.899 4.340 -0.000 0.000 0.269 278 L C -1.667 175.226 176.870 0.038 0.000 1.018 278 L CA -0.523 54.408 54.840 0.152 0.000 0.876 278 L CB 0.132 42.322 42.059 0.218 0.000 1.236 278 L HN 0.668 nan 8.230 nan 0.000 0.436 279 F N 3.949 123.940 119.950 0.069 0.000 2.420 279 F HA 0.257 4.784 4.527 -0.000 0.000 0.352 279 F C 0.469 176.287 175.800 0.030 0.000 1.108 279 F CA -0.322 57.694 58.000 0.027 0.000 1.162 279 F CB 1.444 40.431 39.000 -0.021 0.000 1.118 279 F HN 0.027 nan 8.300 nan 0.000 0.510 280 V N 5.916 125.939 119.914 0.181 0.000 2.225 280 V HA 0.242 4.362 4.120 -0.000 0.000 0.264 280 V C -2.231 173.938 176.094 0.125 0.000 1.067 280 V CA -2.035 60.334 62.300 0.114 0.000 0.903 280 V CB 0.282 32.155 31.823 0.084 0.000 1.136 280 V HN 0.536 nan 8.190 nan 0.000 0.456 281 P HA -0.131 nan 4.420 nan 0.000 0.263 281 P C -0.157 177.241 177.300 0.163 0.000 1.168 281 P CA 0.175 63.353 63.100 0.129 0.000 0.759 281 P CB 0.223 31.987 31.700 0.106 0.000 0.782 282 F N 3.624 123.607 119.950 0.055 0.000 2.557 282 F HA 0.010 4.537 4.527 -0.000 0.000 0.384 282 F C 0.965 176.817 175.800 0.086 0.000 1.057 282 F CA -0.082 57.954 58.000 0.060 0.000 1.169 282 F CB -0.116 38.913 39.000 0.048 0.000 1.070 282 F HN 0.286 nan 8.300 nan 0.000 0.554 283 Q N 5.489 125.024 119.800 -0.442 0.000 2.239 283 Q HA 0.079 4.419 4.340 -0.000 0.000 0.286 283 Q C -1.255 174.411 176.000 -0.557 0.000 1.102 283 Q CA 0.661 56.227 55.803 -0.395 0.000 0.936 283 Q CB 0.091 28.653 28.738 -0.293 0.000 1.127 283 Q HN 0.869 nan 8.270 nan 0.000 0.380 284 H N 1.650 120.529 119.070 -0.319 0.000 3.042 284 H HA 0.165 4.721 4.556 -0.000 0.000 0.346 284 H C -0.363 174.936 175.328 -0.047 0.000 1.294 284 H CA -0.602 55.343 56.048 -0.172 0.000 1.141 284 H CB 1.171 30.941 29.762 0.013 0.000 1.872 284 H HN 0.540 nan 8.280 nan 0.000 0.541 285 K N 0.834 120.683 120.400 -0.919 0.000 2.097 285 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 285 K C 0.310 176.756 176.600 -0.255 0.000 1.050 285 K CA 1.885 57.865 56.287 -0.512 0.000 0.938 285 K CB 0.058 32.282 32.500 -0.460 0.000 0.718 285 K HN 0.591 nan 8.250 nan 0.000 0.442 286 D N 0.557 120.855 120.400 -0.170 0.000 2.317 286 D HA -0.066 4.574 4.640 -0.000 0.000 0.211 286 D C 0.108 176.585 176.300 0.296 0.000 0.966 286 D CA 0.452 54.570 54.000 0.196 0.000 0.876 286 D CB 0.068 41.096 40.800 0.380 0.000 0.927 286 D HN 0.196 nan 8.370 nan 0.000 0.519 287 R N 0.423 121.082 120.500 0.264 0.000 3.641 287 R HA -0.253 4.087 4.340 -0.000 0.000 0.286 287 R C 1.431 177.950 176.300 0.364 0.000 1.153 287 R CA 0.635 56.873 56.100 0.231 0.000 0.775 287 R CB -2.037 28.323 30.300 0.099 0.000 1.215 287 R HN 0.363 nan 8.270 nan 0.000 0.474 288 Q N 1.188 121.220 119.800 0.386 0.000 1.985 288 Q HA -0.281 4.058 4.340 -0.000 0.000 0.207 288 Q C 1.625 177.773 176.000 0.246 0.000 0.996 288 Q CA 2.079 58.085 55.803 0.339 0.000 0.851 288 Q CB -0.038 28.846 28.738 0.243 0.000 0.921 288 Q HN 0.642 nan 8.270 nan 0.000 0.418 289 Q N -0.930 118.983 119.800 0.188 0.000 2.234 289 Q HA -0.215 4.125 4.340 -0.000 0.000 0.206 289 Q C 1.836 177.819 176.000 -0.029 0.000 0.980 289 Q CA 1.479 57.331 55.803 0.082 0.000 0.869 289 Q CB -0.193 28.626 28.738 0.135 0.000 0.912 289 Q HN 0.532 nan 8.270 nan 0.000 0.436 290 Y N -0.613 119.618 120.300 -0.116 0.000 2.145 290 Y HA -0.251 4.299 4.550 -0.000 0.000 0.286 290 Y C 1.410 177.084 175.900 -0.377 0.000 1.145 290 Y CA 1.645 59.561 58.100 -0.306 0.000 1.148 290 Y CB -0.525 37.643 38.460 -0.487 0.000 0.981 290 Y HN 0.099 nan 8.280 nan 0.000 0.507 291 W N 1.046 122.263 121.300 -0.138 0.000 2.374 291 W HA -0.136 4.524 4.660 -0.000 0.000 0.288 291 W C 2.199 178.456 176.519 -0.438 0.000 1.218 291 W CA 1.412 58.614 57.345 -0.239 0.000 1.245 291 W CB -0.582 28.869 29.460 -0.014 0.000 1.126 291 W HN 0.133 nan 8.180 nan 0.000 0.545 292 N N 0.035 118.566 118.700 -0.281 0.000 2.223 292 N HA -0.139 4.601 4.740 -0.000 0.000 0.185 292 N C 1.792 176.734 175.510 -0.948 0.000 1.016 292 N CA 1.126 53.699 53.050 -0.795 0.000 0.863 292 N CB -0.341 37.908 38.487 -0.396 0.000 0.983 292 N HN 0.106 nan 8.380 nan 0.000 0.429 293 A N 0.582 123.007 122.820 -0.658 0.000 2.081 293 A HA 0.061 4.380 4.320 -0.000 0.000 0.214 293 A C 1.976 179.277 177.584 -0.471 0.000 1.158 293 A CA 0.150 51.814 52.037 -0.622 0.000 0.724 293 A CB -0.225 18.424 19.000 -0.584 0.000 0.826 293 A HN 0.153 nan 8.150 nan 0.000 0.463 294 L N 0.700 121.607 121.223 -0.527 0.000 2.013 294 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 294 L C -0.781 175.982 176.870 -0.178 0.000 1.073 294 L CA 2.427 57.043 54.840 -0.373 0.000 0.753 294 L CB -1.155 40.705 42.059 -0.332 0.000 0.890 294 L HN 0.155 nan 8.230 nan 0.000 0.432 295 P HA -0.189 nan 4.420 nan 0.000 0.216 295 P C 2.120 179.395 177.300 -0.042 0.000 1.150 295 P CA 1.460 64.529 63.100 -0.051 0.000 0.843 295 P CB -0.023 31.679 31.700 0.005 0.000 0.787 296 L N -0.812 120.369 121.223 -0.069 0.000 2.093 296 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 296 L C 2.566 179.433 176.870 -0.005 0.000 1.085 296 L CA 1.460 56.289 54.840 -0.018 0.000 0.755 296 L CB -0.641 41.432 42.059 0.023 0.000 0.904 296 L HN 0.051 nan 8.230 nan 0.000 0.435 297 E N 0.519 120.708 120.200 -0.019 0.000 2.072 297 E HA -0.219 4.130 4.350 -0.000 0.000 0.190 297 E C 2.123 178.720 176.600 -0.005 0.000 0.982 297 E CA 0.965 57.361 56.400 -0.006 0.000 0.803 297 E CB 0.155 29.838 29.700 -0.029 0.000 0.755 297 E HN 0.303 nan 8.360 nan 0.000 0.453 298 K N -0.048 120.345 120.400 -0.013 0.000 2.160 298 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 298 K C 1.893 178.496 176.600 0.005 0.000 1.047 298 K CA 1.159 57.449 56.287 0.004 0.000 0.930 298 K CB -0.099 32.408 32.500 0.012 0.000 0.720 298 K HN 0.148 nan 8.250 nan 0.000 0.450 299 A N 0.263 123.081 122.820 -0.002 0.000 2.238 299 A HA 0.177 4.497 4.320 -0.000 0.000 0.208 299 A C 1.245 178.820 177.584 -0.015 0.000 1.177 299 A CA 0.710 52.743 52.037 -0.006 0.000 0.804 299 A CB -0.233 18.762 19.000 -0.009 0.000 0.823 299 A HN 0.393 nan 8.150 nan 0.000 0.482 300 G N -1.685 107.107 108.800 -0.012 0.000 2.246 300 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.273 300 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.273 300 G C 0.809 175.672 174.900 -0.061 0.000 1.055 300 G CA 0.598 45.687 45.100 -0.019 0.000 0.851 300 G HN 1.403 nan 8.290 nan 0.000 0.500 301 A N -1.660 121.122 122.820 -0.064 0.000 2.169 301 A HA 0.852 5.172 4.320 -0.000 0.000 0.210 301 A C 1.405 178.901 177.584 -0.148 0.000 1.168 301 A CA 1.693 53.664 52.037 -0.109 0.000 0.813 301 A CB 0.225 19.179 19.000 -0.076 0.000 0.861 301 A HN 2.179 nan 8.150 nan 0.000 0.481 302 A N -0.798 121.979 122.820 -0.072 0.000 2.524 302 A HA 0.756 5.076 4.320 -0.000 0.000 0.289 302 A C -1.123 176.498 177.584 0.062 0.000 1.248 302 A CA -0.590 51.423 52.037 -0.040 0.000 0.712 302 A CB 1.108 20.181 19.000 0.122 0.000 1.312 302 A HN -0.006 nan 8.150 nan 0.000 0.441 303 K N 0.901 121.394 120.400 0.154 0.000 2.513 303 K HA 0.562 4.882 4.320 -0.000 0.000 0.251 303 K C -1.867 174.817 176.600 0.140 0.000 0.939 303 K CA -0.293 56.117 56.287 0.205 0.000 0.793 303 K CB 1.223 33.973 32.500 0.416 0.000 1.241 303 K HN 0.680 nan 8.250 nan 0.000 0.431 304 I N 4.604 125.224 120.570 0.082 0.000 2.498 304 I HA 0.488 4.658 4.170 -0.000 0.000 0.301 304 I C 0.135 176.290 176.117 0.063 0.000 0.984 304 I CA -1.066 60.270 61.300 0.059 0.000 1.204 304 I CB 1.422 39.428 38.000 0.010 0.000 1.362 304 I HN 0.433 nan 8.210 nan 0.000 0.471 305 I N 4.330 124.936 120.570 0.060 0.000 2.576 305 I HA 0.195 4.364 4.170 -0.000 0.000 0.279 305 I C -0.320 175.819 176.117 0.036 0.000 1.114 305 I CA -0.387 60.934 61.300 0.036 0.000 1.076 305 I CB 1.586 39.597 38.000 0.018 0.000 1.212 305 I HN 0.621 nan 8.210 nan 0.000 0.472 306 E N 3.944 124.159 120.200 0.025 0.000 2.408 306 E HA 0.059 4.409 4.350 -0.000 0.000 0.259 306 E C 0.797 177.391 176.600 -0.010 0.000 1.110 306 E CA -0.075 56.329 56.400 0.008 0.000 0.929 306 E CB 0.847 30.525 29.700 -0.036 0.000 0.971 306 E HN 0.495 nan 8.360 nan 0.000 0.438 307 Q N 1.252 121.042 119.800 -0.018 0.000 2.096 307 Q HA -0.194 4.146 4.340 -0.000 0.000 0.208 307 Q C -0.718 175.262 176.000 -0.032 0.000 0.993 307 Q CA 1.752 57.541 55.803 -0.023 0.000 0.862 307 Q CB -1.190 27.524 28.738 -0.040 0.000 0.915 307 Q HN 0.462 nan 8.270 nan 0.000 0.416 308 P HA -0.175 nan 4.420 nan 0.000 0.216 308 P C 0.939 178.216 177.300 -0.038 0.000 1.150 308 P CA 1.331 64.403 63.100 -0.047 0.000 0.843 308 P CB -0.027 31.636 31.700 -0.062 0.000 0.787 309 Q N -1.414 118.364 119.800 -0.036 0.000 2.319 309 Q HA 0.125 4.465 4.340 -0.000 0.000 0.202 309 Q C 0.613 176.598 176.000 -0.025 0.000 0.896 309 Q CA -0.047 55.737 55.803 -0.031 0.000 0.942 309 Q CB -0.199 28.520 28.738 -0.032 0.000 1.083 309 Q HN 0.286 nan 8.270 nan 0.000 0.510 310 L N 2.826 124.037 121.223 -0.020 0.000 2.369 310 L HA 0.240 4.580 4.340 -0.000 0.000 0.279 310 L C -0.349 176.511 176.870 -0.016 0.000 1.108 310 L CA 0.547 55.379 54.840 -0.014 0.000 0.852 310 L CB 0.184 42.240 42.059 -0.004 0.000 1.169 310 L HN 0.110 nan 8.230 nan 0.000 0.452 311 S N 3.260 118.947 115.700 -0.021 0.000 2.546 311 S HA 0.386 4.856 4.470 -0.000 0.000 0.274 311 S C 1.013 175.599 174.600 -0.022 0.000 1.121 311 S CA -0.612 57.576 58.200 -0.020 0.000 0.887 311 S CB 1.876 65.062 63.200 -0.023 0.000 1.094 311 S HN 0.328 nan 8.310 nan 0.000 0.474 312 V N 1.996 121.900 119.914 -0.017 0.000 2.242 312 V HA -0.316 3.804 4.120 -0.000 0.000 0.257 312 V C 2.121 178.200 176.094 -0.025 0.000 1.073 312 V CA 2.860 65.150 62.300 -0.016 0.000 1.058 312 V CB -1.166 30.650 31.823 -0.012 0.000 0.664 312 V HN 0.979 nan 8.190 nan 0.000 0.451 313 D N -0.135 120.248 120.400 -0.029 0.000 2.144 313 D HA -0.036 4.604 4.640 -0.000 0.000 0.200 313 D C 2.149 178.413 176.300 -0.059 0.000 0.978 313 D CA 1.327 55.304 54.000 -0.039 0.000 0.833 313 D CB -0.396 40.384 40.800 -0.033 0.000 0.961 313 D HN 0.480 nan 8.370 nan 0.000 0.470 314 A N 0.344 123.130 122.820 -0.058 0.000 1.908 314 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 314 A C 2.354 179.873 177.584 -0.109 0.000 1.181 314 A CA 1.213 53.204 52.037 -0.077 0.000 0.627 314 A CB -0.827 18.138 19.000 -0.059 0.000 0.818 314 A HN 0.147 nan 8.150 nan 0.000 0.445 315 V N -0.221 119.642 119.914 -0.085 0.000 2.261 315 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 315 V C 3.071 179.091 176.094 -0.124 0.000 1.047 315 V CA 1.969 64.211 62.300 -0.097 0.000 1.015 315 V CB -1.346 30.450 31.823 -0.044 0.000 0.642 315 V HN 0.627 nan 8.190 nan 0.000 0.446 316 A N 0.485 123.255 122.820 -0.084 0.000 1.865 316 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 316 A C 2.049 179.562 177.584 -0.118 0.000 1.191 316 A CA 2.458 54.450 52.037 -0.075 0.000 0.623 316 A CB -0.996 17.981 19.000 -0.040 0.000 0.826 316 A HN 0.702 nan 8.150 nan 0.000 0.444 317 N N -0.916 117.709 118.700 -0.125 0.000 2.069 317 N HA -0.134 4.606 4.740 -0.000 0.000 0.191 317 N C 1.745 177.102 175.510 -0.255 0.000 1.031 317 N CA 1.723 54.684 53.050 -0.147 0.000 0.852 317 N CB -0.353 38.062 38.487 -0.119 0.000 1.018 317 N HN 0.468 nan 8.380 nan 0.000 0.423 318 T N 1.685 116.034 114.554 -0.343 0.000 2.684 318 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 318 T C 1.999 176.153 174.700 -0.910 0.000 1.036 318 T CA 0.930 62.640 62.100 -0.650 0.000 1.148 318 T CB -0.319 68.172 68.868 -0.628 0.000 0.863 318 T HN 0.151 nan 8.240 nan 0.000 0.436 319 L N 0.584 121.487 121.223 -0.534 0.000 2.056 319 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 319 L C 3.038 179.818 176.870 -0.150 0.000 1.078 319 L CA 1.128 55.796 54.840 -0.288 0.000 0.749 319 L CB -0.663 41.342 42.059 -0.090 0.000 0.901 319 L HN 0.243 nan 8.230 nan 0.000 0.433 320 A N 0.256 122.987 122.820 -0.149 0.000 1.972 320 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 320 A C 2.298 179.841 177.584 -0.068 0.000 1.169 320 A CA 1.700 53.692 52.037 -0.075 0.000 0.635 320 A CB -1.037 17.921 19.000 -0.069 0.000 0.810 320 A HN 0.458 nan 8.150 nan 0.000 0.446 321 G N -2.340 106.363 108.800 -0.161 0.000 2.650 321 G HA2 0.033 3.993 3.960 -0.000 0.000 0.214 321 G HA3 0.033 3.993 3.960 -0.000 0.000 0.214 321 G C 0.139 175.077 174.900 0.063 0.000 1.136 321 G CA -0.197 44.843 45.100 -0.099 0.000 0.789 321 G HN 0.438 nan 8.290 nan 0.000 0.536 322 W N 2.820 124.112 121.300 -0.012 0.000 2.367 322 W HA 0.519 5.178 4.660 -0.000 0.000 0.329 322 W C 0.732 177.239 176.519 -0.019 0.000 1.066 322 W CA -1.761 55.573 57.345 -0.017 0.000 1.435 322 W CB -0.157 29.289 29.460 -0.022 0.000 1.296 322 W HN 0.085 nan 8.180 nan 0.000 0.401 323 S N 1.997 117.812 115.700 0.193 0.000 2.608 323 S HA 0.191 4.661 4.470 -0.000 0.000 0.261 323 S C 1.349 175.985 174.600 0.060 0.000 1.314 323 S CA -0.369 57.889 58.200 0.096 0.000 0.992 323 S CB 1.511 64.749 63.200 0.064 0.000 0.935 323 S HN 0.450 nan 8.310 nan 0.000 0.564 324 R N 0.544 121.060 120.500 0.028 0.000 2.115 324 R HA -0.030 4.310 4.340 -0.000 0.000 0.230 324 R C 2.128 178.417 176.300 -0.018 0.000 1.111 324 R CA 1.999 58.098 56.100 -0.003 0.000 0.976 324 R CB -0.663 29.632 30.300 -0.009 0.000 0.870 324 R HN 0.917 nan 8.270 nan 0.000 0.445 325 E N -0.828 119.367 120.200 -0.008 0.000 2.051 325 E HA -0.133 4.217 4.350 -0.000 0.000 0.189 325 E C 1.489 178.071 176.600 -0.030 0.000 0.979 325 E CA 1.641 58.030 56.400 -0.018 0.000 0.803 325 E CB -0.073 29.623 29.700 -0.007 0.000 0.761 325 E HN 0.527 nan 8.360 nan 0.000 0.451 326 T N -0.250 114.292 114.554 -0.020 0.000 2.788 326 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 326 T C 1.916 176.546 174.700 -0.118 0.000 1.044 326 T CA 0.804 62.877 62.100 -0.045 0.000 1.139 326 T CB -0.276 68.593 68.868 0.001 0.000 0.867 326 T HN 0.040 nan 8.240 nan 0.000 0.454 327 L N 0.586 121.738 121.223 -0.119 0.000 2.042 327 L HA 0.129 4.469 4.340 -0.000 0.000 0.210 327 L C 2.413 179.191 176.870 -0.153 0.000 1.076 327 L CA 1.196 55.927 54.840 -0.182 0.000 0.749 327 L CB -1.315 40.673 42.059 -0.119 0.000 0.893 327 L HN 0.339 nan 8.230 nan 0.000 0.432 328 L N -1.699 119.463 121.223 -0.102 0.000 2.376 328 L HA -0.099 4.240 4.340 -0.000 0.000 0.219 328 L C 2.122 178.940 176.870 -0.086 0.000 1.133 328 L CA 1.610 56.398 54.840 -0.087 0.000 0.816 328 L CB -0.725 41.297 42.059 -0.062 0.000 0.933 328 L HN 0.212 nan 8.230 nan 0.000 0.449 329 T N -0.918 113.581 114.554 -0.093 0.000 2.894 329 T HA -0.052 4.298 4.350 -0.000 0.000 0.258 329 T C 1.873 176.509 174.700 -0.106 0.000 1.043 329 T CA 1.450 63.501 62.100 -0.083 0.000 1.141 329 T CB -0.055 68.772 68.868 -0.069 0.000 0.873 329 T HN 0.268 nan 8.240 nan 0.000 0.449 330 M N 1.123 120.629 119.600 -0.156 0.000 2.117 330 M HA -0.052 4.428 4.480 -0.000 0.000 0.262 330 M C 2.815 179.021 176.300 -0.158 0.000 1.065 330 M CA 1.528 56.714 55.300 -0.190 0.000 1.114 330 M CB -0.510 31.896 32.600 -0.323 0.000 1.361 330 M HN 0.292 nan 8.290 nan 0.000 0.408 331 A N 0.510 123.240 122.820 -0.150 0.000 1.908 331 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 331 A C 1.926 179.456 177.584 -0.091 0.000 1.181 331 A CA 1.815 53.779 52.037 -0.121 0.000 0.627 331 A CB -0.705 18.230 19.000 -0.109 0.000 0.818 331 A HN 0.560 nan 8.150 nan 0.000 0.445 332 E N -0.422 119.730 120.200 -0.080 0.000 2.106 332 E HA -0.210 4.139 4.350 -0.000 0.000 0.192 332 E C 2.235 178.802 176.600 -0.055 0.000 0.984 332 E CA 1.332 57.696 56.400 -0.060 0.000 0.806 332 E CB -0.217 29.452 29.700 -0.052 0.000 0.750 332 E HN 0.804 nan 8.360 nan 0.000 0.458 333 R N 0.614 121.077 120.500 -0.062 0.000 2.200 333 R HA 0.177 4.517 4.340 -0.000 0.000 0.208 333 R C 2.189 178.459 176.300 -0.050 0.000 1.033 333 R CA 0.830 56.900 56.100 -0.051 0.000 1.000 333 R CB -0.177 30.092 30.300 -0.051 0.000 0.906 333 R HN 0.011 nan 8.270 nan 0.000 0.462 334 A N 2.261 125.041 122.820 -0.068 0.000 1.855 334 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 334 A C 2.301 179.855 177.584 -0.050 0.000 1.191 334 A CA 1.504 53.503 52.037 -0.064 0.000 0.613 334 A CB -0.439 18.506 19.000 -0.091 0.000 0.829 334 A HN 0.285 nan 8.150 nan 0.000 0.442 335 R N 0.292 120.759 120.500 -0.055 0.000 2.073 335 R HA -0.022 4.318 4.340 -0.000 0.000 0.234 335 R C 2.098 178.379 176.300 -0.032 0.000 1.134 335 R CA 2.034 58.107 56.100 -0.046 0.000 0.952 335 R CB -1.015 29.257 30.300 -0.047 0.000 0.850 335 R HN 0.373 nan 8.270 nan 0.000 0.433 336 A N -0.241 122.561 122.820 -0.030 0.000 2.076 336 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 336 A C 2.003 179.579 177.584 -0.013 0.000 1.160 336 A CA 1.735 53.759 52.037 -0.021 0.000 0.653 336 A CB -0.690 18.297 19.000 -0.022 0.000 0.801 336 A HN 0.496 nan 8.150 nan 0.000 0.455 337 A N -0.265 122.548 122.820 -0.012 0.000 2.387 337 A HA 0.454 4.774 4.320 -0.000 0.000 0.234 337 A C 1.133 178.725 177.584 0.012 0.000 1.253 337 A CA 0.605 52.643 52.037 0.002 0.000 0.894 337 A CB -0.392 18.611 19.000 0.004 0.000 0.963 337 A HN 0.678 nan 8.150 nan 0.000 0.508 338 S N -0.426 115.274 115.700 -0.000 0.000 2.646 338 S HA 0.688 5.158 4.470 -0.000 0.000 0.276 338 S C -0.229 174.367 174.600 -0.005 0.000 1.222 338 S CA -0.472 57.728 58.200 0.001 0.000 1.014 338 S CB 0.864 64.053 63.200 -0.017 0.000 0.991 338 S HN 0.226 nan 8.310 nan 0.000 0.533 339 I N 2.108 122.672 120.570 -0.010 0.000 2.620 339 I HA 0.268 4.437 4.170 -0.000 0.000 0.280 339 I C -2.028 174.068 176.117 -0.034 0.000 1.143 339 I CA -2.103 59.184 61.300 -0.022 0.000 1.163 339 I CB 1.101 39.086 38.000 -0.026 0.000 1.461 339 I HN 0.485 nan 8.210 nan 0.000 0.530 340 P HA -0.192 nan 4.420 nan 0.000 0.217 340 P C 0.462 177.732 177.300 -0.050 0.000 1.148 340 P CA 1.407 64.484 63.100 -0.038 0.000 0.834 340 P CB -0.016 31.666 31.700 -0.031 0.000 0.783 341 D N -1.709 118.659 120.400 -0.053 0.000 3.058 341 D HA 0.241 4.881 4.640 -0.000 0.000 0.272 341 D C 1.076 177.320 176.300 -0.093 0.000 1.350 341 D CA -0.487 53.469 54.000 -0.074 0.000 0.863 341 D CB -0.274 40.493 40.800 -0.055 0.000 1.064 341 D HN 0.025 nan 8.370 nan 0.000 0.488 342 A N 0.647 123.410 122.820 -0.095 0.000 1.855 342 A HA -0.148 4.171 4.320 -0.000 0.000 0.215 342 A C 2.150 179.641 177.584 -0.155 0.000 1.191 342 A CA 1.654 53.628 52.037 -0.105 0.000 0.613 342 A CB -0.933 18.010 19.000 -0.094 0.000 0.829 342 A HN 0.334 nan 8.150 nan 0.000 0.442 343 T N 0.240 114.682 114.554 -0.186 0.000 2.737 343 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 343 T C 1.693 176.186 174.700 -0.346 0.000 1.040 343 T CA 1.994 63.944 62.100 -0.250 0.000 1.142 343 T CB -0.273 68.447 68.868 -0.247 0.000 0.861 343 T HN 0.612 nan 8.240 nan 0.000 0.456 344 E N 0.519 120.514 120.200 -0.343 0.000 2.112 344 E HA 0.076 4.425 4.350 -0.000 0.000 0.190 344 E C 2.484 179.010 176.600 -0.123 0.000 0.979 344 E CA 0.566 56.789 56.400 -0.295 0.000 0.814 344 E CB -0.075 29.511 29.700 -0.190 0.000 0.762 344 E HN 0.387 nan 8.360 nan 0.000 0.460 345 R N 0.134 120.571 120.500 -0.105 0.000 2.070 345 R HA -0.066 4.274 4.340 -0.000 0.000 0.233 345 R C 2.320 178.578 176.300 -0.070 0.000 1.137 345 R CA 1.267 57.328 56.100 -0.065 0.000 0.945 345 R CB -0.646 29.623 30.300 -0.052 0.000 0.845 345 R HN 0.052 nan 8.270 nan 0.000 0.430 346 V N 1.245 121.098 119.914 -0.100 0.000 2.287 346 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 346 V C 2.479 178.499 176.094 -0.123 0.000 1.053 346 V CA 2.033 64.266 62.300 -0.111 0.000 1.027 346 V CB -0.742 30.974 31.823 -0.180 0.000 0.646 346 V HN 0.451 nan 8.190 nan 0.000 0.447 347 A N 0.349 123.094 122.820 -0.126 0.000 1.908 347 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 347 A C 2.053 179.583 177.584 -0.091 0.000 1.181 347 A CA 2.224 54.197 52.037 -0.108 0.000 0.627 347 A CB -0.720 18.320 19.000 0.067 0.000 0.818 347 A HN 0.618 nan 8.150 nan 0.000 0.445 348 N N -0.032 118.648 118.700 -0.033 0.000 2.120 348 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 348 N C 1.597 177.098 175.510 -0.015 0.000 1.024 348 N CA 1.389 54.437 53.050 -0.003 0.000 0.852 348 N CB -0.399 38.095 38.487 0.012 0.000 1.003 348 N HN 0.472 nan 8.380 nan 0.000 0.424 349 E N 0.798 120.977 120.200 -0.035 0.000 2.077 349 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 349 E C 2.190 178.767 176.600 -0.038 0.000 0.989 349 E CA 0.491 56.872 56.400 -0.031 0.000 0.800 349 E CB -0.417 29.259 29.700 -0.040 0.000 0.746 349 E HN 0.129 nan 8.360 nan 0.000 0.452 350 V N 1.102 120.963 119.914 -0.088 0.000 2.343 350 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 350 V C 2.583 178.644 176.094 -0.056 0.000 1.051 350 V CA 1.981 64.207 62.300 -0.124 0.000 1.036 350 V CB -0.581 31.082 31.823 -0.268 0.000 0.654 350 V HN 0.243 nan 8.190 nan 0.000 0.451 351 S N -0.590 115.089 115.700 -0.035 0.000 2.355 351 S HA -0.214 4.256 4.470 -0.000 0.000 0.222 351 S C 2.222 176.931 174.600 0.182 0.000 1.031 351 S CA 1.653 59.980 58.200 0.211 0.000 0.993 351 S CB -0.308 63.025 63.200 0.222 0.000 0.859 351 S HN 0.519 nan 8.310 nan 0.000 0.453 352 R N 0.293 120.848 120.500 0.091 0.000 2.112 352 R HA -0.120 4.220 4.340 -0.000 0.000 0.242 352 R C 2.137 178.477 176.300 0.066 0.000 1.137 352 R CA 2.200 58.340 56.100 0.067 0.000 0.944 352 R CB -0.782 29.538 30.300 0.035 0.000 0.857 352 R HN 0.390 nan 8.270 nan 0.000 0.435 353 V N 0.993 120.941 119.914 0.056 0.000 2.255 353 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 353 V C 2.535 178.677 176.094 0.080 0.000 1.051 353 V CA 1.985 64.316 62.300 0.051 0.000 1.018 353 V CB -0.968 30.874 31.823 0.031 0.000 0.641 353 V HN 0.613 nan 8.190 nan 0.000 0.445 354 A N 1.202 124.105 122.820 0.138 0.000 1.971 354 A HA -0.256 4.064 4.320 -0.000 0.000 0.222 354 A C 1.632 179.273 177.584 0.095 0.000 1.182 354 A CA 1.828 53.970 52.037 0.175 0.000 0.649 354 A CB -0.698 18.548 19.000 0.411 0.000 0.818 354 A HN 0.758 nan 8.150 nan 0.000 0.458 355 R N -0.471 120.081 120.500 0.087 0.000 2.309 355 R HA 0.570 4.910 4.340 -0.000 0.000 0.331 355 R C -0.267 176.049 176.300 0.027 0.000 1.116 355 R CA 0.462 56.586 56.100 0.041 0.000 0.970 355 R CB -0.190 30.136 30.300 0.043 0.000 1.024 355 R HN 0.462 nan 8.270 nan 0.000 0.472 356 A N 0.000 122.828 122.820 0.013 0.000 2.254 356 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 356 A CA 0.000 52.042 52.037 0.009 0.000 0.836 356 A CB 0.000 19.010 19.000 0.016 0.000 0.831 356 A HN 0.000 nan 8.150 nan 0.000 0.486