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 1dj3_1_B DATA FIRST_RESID 11 DATA SEQUENCE ADRVSSLSNV SGVLGSQWGD EGKGKLVDVL APRFDIVARC QGGANAGHTI DATA SEQUENCE YNSEGKKFAL HLVPSGILHE GTLCVVGNGA VIHVPGFFGE IDGLQSNGVS DATA SEQUENCE CDGRILVSDR AHLLFDLHQT VDGLREAELA NSFIGTTKRG IGPCYSSKVT DATA SEQUENCE RNGLRVCDLR HMDTFGDKLD VLFEDAAARF EGFKYSKGML KEEVERYKKF DATA SEQUENCE AERLEPFIAD TVHVLNESIR QKKKILVEGG QATMLDIDFG TYPFVTSSSP DATA SEQUENCE SAGGICTGLG IAPRVIGDLI GVVKAYTTRV GSGPFPTELL GEEGDVLRKA DATA SEQUENCE GMEFGTTTGR PRRCGWLDIV ALKYCCDING FSSLNLTKLD VLSGLPEIKL DATA SEQUENCE GVSYNQMDGE KLQSFPGDLD TLEQVQVNYE VLPGWDSDIS SVRSYSELPQ DATA SEQUENCE AARRYVERIE ELAGVPVHYI GVGPGRDALI YK 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.500 177.584 -0.140 0.000 1.274 11 A CA 0.000 51.962 52.037 -0.124 0.000 0.836 11 A CB 0.000 18.945 19.000 -0.091 0.000 0.831 12 D N 0.755 121.085 120.400 -0.116 0.000 2.801 12 D HA 0.180 4.820 4.640 -0.000 0.000 0.232 12 D C 1.455 177.726 176.300 -0.049 0.000 1.128 12 D CA -0.023 53.916 54.000 -0.102 0.000 1.003 12 D CB 0.399 41.152 40.800 -0.078 0.000 1.110 12 D HN 0.290 nan 8.370 nan 0.000 0.477 13 R N -0.111 120.379 120.500 -0.016 0.000 2.120 13 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 13 R C 2.247 178.681 176.300 0.223 0.000 1.123 13 R CA 0.651 56.825 56.100 0.124 0.000 0.975 13 R CB -0.678 29.739 30.300 0.196 0.000 0.866 13 R HN 0.291 nan 8.270 nan 0.000 0.446 14 V N -2.981 117.030 119.914 0.161 0.000 2.490 14 V HA -0.100 4.020 4.120 -0.000 0.000 0.250 14 V C 1.360 177.474 176.094 0.033 0.000 1.061 14 V CA 2.070 64.449 62.300 0.132 0.000 1.064 14 V CB -0.392 31.464 31.823 0.056 0.000 0.670 14 V HN 0.092 nan 8.190 nan 0.000 0.461 15 S N -0.229 115.468 115.700 -0.005 0.000 2.557 15 S HA 0.216 4.686 4.470 -0.000 0.000 0.223 15 S C 1.785 176.373 174.600 -0.020 0.000 0.969 15 S CA 0.576 58.749 58.200 -0.046 0.000 0.927 15 S CB 0.328 63.493 63.200 -0.059 0.000 0.806 15 S HN 0.638 nan 8.310 nan 0.000 0.489 16 S N 1.418 117.136 115.700 0.030 0.000 2.486 16 S HA 0.285 4.755 4.470 -0.000 0.000 0.220 16 S C 0.658 175.304 174.600 0.077 0.000 1.011 16 S CA -0.060 58.169 58.200 0.048 0.000 0.921 16 S CB -0.029 63.213 63.200 0.070 0.000 0.785 16 S HN 0.420 nan 8.310 nan 0.000 0.517 17 L N 2.954 124.244 121.223 0.111 0.000 2.483 17 L HA 0.119 4.459 4.340 -0.000 0.000 0.276 17 L C 0.925 177.862 176.870 0.111 0.000 1.213 17 L CA -0.508 54.433 54.840 0.168 0.000 0.843 17 L CB 0.135 42.390 42.059 0.327 0.000 1.107 17 L HN 0.233 nan 8.230 nan 0.000 0.487 18 S N 1.037 116.824 115.700 0.144 0.000 2.634 18 S HA 0.059 4.529 4.470 -0.000 0.000 0.261 18 S C 0.909 175.593 174.600 0.140 0.000 1.271 18 S CA -0.583 57.680 58.200 0.104 0.000 0.985 18 S CB 0.809 64.059 63.200 0.084 0.000 0.968 18 S HN 0.673 nan 8.310 nan 0.000 0.568 19 N N 0.043 118.795 118.700 0.087 0.000 2.096 19 N HA -0.135 4.605 4.740 -0.000 0.000 0.195 19 N C -0.066 175.546 175.510 0.170 0.000 1.017 19 N CA 1.367 54.471 53.050 0.091 0.000 0.870 19 N CB -0.499 38.018 38.487 0.051 0.000 1.024 19 N HN 0.504 nan 8.380 nan 0.000 0.434 20 V N 0.685 120.684 119.914 0.142 0.000 2.340 20 V HA 0.381 4.501 4.120 -0.000 0.000 0.277 20 V C -0.404 175.745 176.094 0.092 0.000 1.017 20 V CA -0.606 61.763 62.300 0.115 0.000 0.820 20 V CB 1.199 33.054 31.823 0.054 0.000 1.028 20 V HN 0.056 nan 8.190 nan 0.000 0.436 21 S N 2.205 117.955 115.700 0.083 0.000 2.767 21 S HA 0.970 5.440 4.470 -0.000 0.000 0.300 21 S C 0.275 174.807 174.600 -0.113 0.000 1.123 21 S CA -0.380 57.830 58.200 0.016 0.000 0.992 21 S CB 2.104 65.369 63.200 0.109 0.000 1.138 21 S HN 1.036 nan 8.310 nan 0.000 0.550 22 G N -0.267 108.486 108.800 -0.079 0.000 2.732 22 G HA2 0.530 4.490 3.960 -0.000 0.000 0.296 22 G HA3 0.530 4.490 3.960 -0.000 0.000 0.296 22 G C -1.914 172.958 174.900 -0.048 0.000 1.448 22 G CA -0.453 44.595 45.100 -0.088 0.000 0.911 22 G HN 0.579 nan 8.290 nan 0.000 0.528 23 V N 1.814 121.690 119.914 -0.063 0.000 2.370 23 V HA 0.635 4.755 4.120 -0.000 0.000 0.283 23 V C -0.050 176.039 176.094 -0.009 0.000 1.023 23 V CA -0.496 61.773 62.300 -0.052 0.000 0.857 23 V CB 0.992 32.764 31.823 -0.084 0.000 0.985 23 V HN 0.595 nan 8.190 nan 0.000 0.443 24 L N 3.721 124.950 121.223 0.010 0.000 2.381 24 L HA 0.751 5.091 4.340 -0.000 0.000 0.268 24 L C 0.665 177.515 176.870 -0.034 0.000 0.997 24 L CA -0.700 54.173 54.840 0.055 0.000 0.818 24 L CB 2.060 44.259 42.059 0.234 0.000 1.310 24 L HN 0.717 nan 8.230 nan 0.000 0.416 25 G N -0.093 108.692 108.800 -0.026 0.000 2.370 25 G HA2 0.345 4.305 3.960 -0.000 0.000 0.272 25 G HA3 0.345 4.305 3.960 -0.000 0.000 0.272 25 G C 0.628 175.491 174.900 -0.062 0.000 1.208 25 G CA -0.072 44.984 45.100 -0.074 0.000 0.856 25 G HN 0.752 nan 8.290 nan 0.000 0.500 26 S N 0.794 116.421 115.700 -0.123 0.000 2.540 26 S HA 0.170 4.640 4.470 -0.000 0.000 0.218 26 S C 0.876 175.375 174.600 -0.167 0.000 0.977 26 S CA -0.202 57.940 58.200 -0.097 0.000 0.918 26 S CB 0.217 63.319 63.200 -0.163 0.000 0.806 26 S HN 0.667 nan 8.310 nan 0.000 0.496 27 Q N -0.434 119.267 119.800 -0.166 0.000 3.081 27 Q HA 0.479 4.819 4.340 -0.000 0.000 0.204 27 Q C -0.689 175.141 176.000 -0.284 0.000 1.168 27 Q CA -0.881 54.802 55.803 -0.201 0.000 0.349 27 Q CB 0.541 29.309 28.738 0.050 0.000 5.722 27 Q HN 0.423 nan 8.270 nan 0.000 0.302 28 W N -0.263 120.997 121.300 -0.065 0.000 2.820 28 W HA 0.467 5.127 4.660 0.000 0.000 0.350 28 W C 0.443 176.927 176.519 -0.060 0.000 1.116 28 W CA 0.024 57.330 57.345 -0.066 0.000 1.146 28 W CB 1.107 30.492 29.460 -0.125 0.000 1.433 28 W HN 0.911 nan 8.180 nan 0.000 0.561 29 G N 1.814 110.740 108.800 0.211 0.000 2.578 29 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.284 29 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.284 29 G C -0.853 174.069 174.900 0.036 0.000 1.283 29 G CA 0.214 45.377 45.100 0.105 0.000 0.944 29 G HN 0.467 nan 8.290 nan 0.000 0.558 30 D N 1.344 121.750 120.400 0.010 0.000 2.365 30 D HA 0.512 5.152 4.640 -0.000 0.000 0.237 30 D C 0.823 177.090 176.300 -0.055 0.000 1.190 30 D CA -0.096 53.881 54.000 -0.038 0.000 0.867 30 D CB 1.275 42.058 40.800 -0.028 0.000 1.050 30 D HN 0.499 nan 8.370 nan 0.000 0.491 31 E N 0.996 121.149 120.200 -0.079 0.000 2.472 31 E HA 0.239 4.589 4.350 -0.000 0.000 0.196 31 E C 1.198 177.750 176.600 -0.081 0.000 1.033 31 E CA -0.079 56.268 56.400 -0.089 0.000 0.886 31 E CB 0.541 30.185 29.700 -0.093 0.000 0.944 31 E HN 0.606 nan 8.360 nan 0.000 0.492 32 G N 1.521 110.269 108.800 -0.087 0.000 2.207 32 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 32 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 32 G C 0.619 175.481 174.900 -0.063 0.000 1.053 32 G CA 0.336 45.401 45.100 -0.058 0.000 0.764 32 G HN 0.225 nan 8.290 nan 0.000 0.495 33 K N -0.067 120.270 120.400 -0.105 0.000 2.026 33 K HA 0.014 4.334 4.320 -0.000 0.000 0.208 33 K C 2.826 179.432 176.600 0.009 0.000 1.048 33 K CA 1.244 57.490 56.287 -0.068 0.000 0.929 33 K CB -0.291 32.167 32.500 -0.070 0.000 0.713 33 K HN 0.483 nan 8.250 nan 0.000 0.439 34 G N 2.740 111.583 108.800 0.071 0.000 2.556 34 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.220 34 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.220 34 G C 1.466 176.428 174.900 0.105 0.000 1.156 34 G CA 1.369 46.599 45.100 0.216 0.000 0.766 34 G HN 0.313 nan 8.290 nan 0.000 0.583 35 K N -0.218 120.227 120.400 0.076 0.000 2.044 35 K HA -0.136 4.184 4.320 -0.000 0.000 0.210 35 K C 2.471 179.096 176.600 0.041 0.000 1.049 35 K CA 1.623 57.958 56.287 0.080 0.000 0.927 35 K CB -0.327 32.217 32.500 0.074 0.000 0.713 35 K HN 0.281 nan 8.250 nan 0.000 0.443 36 L N 1.221 122.435 121.223 -0.015 0.000 2.046 36 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 36 L C 2.146 178.979 176.870 -0.062 0.000 1.077 36 L CA 1.380 56.168 54.840 -0.086 0.000 0.747 36 L CB -0.414 41.543 42.059 -0.170 0.000 0.896 36 L HN 0.036 nan 8.230 nan 0.000 0.432 37 V N -0.063 119.833 119.914 -0.030 0.000 2.392 37 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 37 V C 2.327 178.432 176.094 0.018 0.000 1.059 37 V CA 1.943 64.226 62.300 -0.029 0.000 1.051 37 V CB -0.919 30.899 31.823 -0.009 0.000 0.658 37 V HN 0.594 nan 8.190 nan 0.000 0.455 38 D N 0.042 120.483 120.400 0.067 0.000 2.144 38 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 38 D C 1.937 178.338 176.300 0.169 0.000 0.978 38 D CA 1.337 55.428 54.000 0.152 0.000 0.833 38 D CB -0.003 40.884 40.800 0.146 0.000 0.961 38 D HN 0.235 nan 8.370 nan 0.000 0.470 39 V N 0.421 120.395 119.914 0.101 0.000 2.379 39 V HA -0.144 3.976 4.120 -0.000 0.000 0.245 39 V C 2.423 178.554 176.094 0.062 0.000 1.044 39 V CA 1.201 63.561 62.300 0.100 0.000 1.036 39 V CB -0.433 31.449 31.823 0.099 0.000 0.664 39 V HN 0.327 nan 8.190 nan 0.000 0.453 40 L N 0.013 121.263 121.223 0.045 0.000 2.418 40 L HA 0.105 4.445 4.340 -0.000 0.000 0.218 40 L C 2.662 179.622 176.870 0.150 0.000 1.125 40 L CA 0.767 55.672 54.840 0.107 0.000 0.835 40 L CB -0.838 41.281 42.059 0.101 0.000 0.953 40 L HN 0.304 nan 8.230 nan 0.000 0.454 41 A N 1.818 124.643 122.820 0.008 0.000 1.892 41 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 41 A C 0.094 177.603 177.584 -0.126 0.000 1.188 41 A CA 1.864 53.880 52.037 -0.034 0.000 0.631 41 A CB -1.848 17.124 19.000 -0.045 0.000 0.822 41 A HN 0.309 nan 8.150 nan 0.000 0.447 42 P HA -0.149 nan 4.420 nan 0.000 0.223 42 P C 1.082 178.313 177.300 -0.114 0.000 1.144 42 P CA 1.258 64.166 63.100 -0.321 0.000 0.783 42 P CB -0.106 31.374 31.700 -0.366 0.000 0.771 43 R N -1.279 119.182 120.500 -0.065 0.000 2.317 43 R HA 0.243 4.583 4.340 -0.000 0.000 0.208 43 R C 0.132 176.226 176.300 -0.343 0.000 0.914 43 R CA 0.000 55.997 56.100 -0.172 0.000 1.060 43 R CB -0.521 29.662 30.300 -0.194 0.000 1.015 43 R HN 0.042 nan 8.270 nan 0.000 0.498 44 F N -1.359 118.555 119.950 -0.059 0.000 2.538 44 F HA 0.275 4.802 4.527 0.000 0.000 0.325 44 F C 0.952 176.734 175.800 -0.030 0.000 1.066 44 F CA -0.895 57.083 58.000 -0.037 0.000 0.946 44 F CB 2.062 41.043 39.000 -0.032 0.000 1.199 44 F HN -0.100 nan 8.300 nan 0.000 0.473 45 D N 0.927 121.426 120.400 0.165 0.000 2.249 45 D HA 0.162 4.802 4.640 -0.000 0.000 0.205 45 D C -0.128 176.230 176.300 0.098 0.000 0.962 45 D CA 1.295 55.351 54.000 0.093 0.000 0.860 45 D CB 0.454 41.289 40.800 0.059 0.000 0.955 45 D HN 0.184 nan 8.370 nan 0.000 0.505 46 I N 0.199 120.845 120.570 0.127 0.000 2.722 46 I HA 0.300 4.470 4.170 -0.000 0.000 0.295 46 I C -1.285 174.850 176.117 0.030 0.000 1.161 46 I CA -0.957 60.385 61.300 0.070 0.000 1.032 46 I CB 3.113 41.142 38.000 0.048 0.000 1.244 46 I HN -0.392 nan 8.210 nan 0.000 0.421 47 V N 4.268 124.180 119.914 -0.004 0.000 2.483 47 V HA 0.792 4.912 4.120 -0.000 0.000 0.297 47 V C -0.275 175.790 176.094 -0.047 0.000 1.027 47 V CA -0.424 61.840 62.300 -0.061 0.000 0.855 47 V CB 1.602 33.393 31.823 -0.053 0.000 0.995 47 V HN 0.820 nan 8.190 nan 0.000 0.424 48 A N 4.816 127.599 122.820 -0.061 0.000 2.386 48 A HA 0.835 5.155 4.320 -0.000 0.000 0.311 48 A C -0.494 177.063 177.584 -0.046 0.000 1.068 48 A CA -0.834 51.178 52.037 -0.041 0.000 0.743 48 A CB 1.510 20.495 19.000 -0.025 0.000 1.258 48 A HN 0.780 nan 8.150 nan 0.000 0.429 49 R N 1.629 122.107 120.500 -0.037 0.000 2.229 49 R HA 0.354 4.694 4.340 -0.000 0.000 0.328 49 R C 0.736 177.032 176.300 -0.006 0.000 1.009 49 R CA 0.030 56.112 56.100 -0.029 0.000 0.864 49 R CB 0.539 30.815 30.300 -0.040 0.000 1.085 49 R HN 0.971 nan 8.270 nan 0.000 0.453 50 C N 2.382 121.685 119.300 0.005 0.000 2.674 50 C HA 0.317 4.777 4.460 -0.000 0.000 0.276 50 C C 0.361 175.374 174.990 0.038 0.000 1.300 50 C CA -0.304 58.724 59.018 0.017 0.000 1.732 50 C CB 0.030 27.776 27.740 0.009 0.000 2.076 50 C HN 0.600 nan 8.230 nan 0.000 0.548 51 Q N 0.273 120.103 119.800 0.049 0.000 2.683 51 Q HA 0.571 4.911 4.340 -0.000 0.000 0.302 51 Q C 0.250 176.316 176.000 0.111 0.000 1.042 51 Q CA 0.600 56.451 55.803 0.081 0.000 0.773 51 Q CB 1.257 30.019 28.738 0.040 0.000 1.508 51 Q HN 0.748 nan 8.270 nan 0.000 0.459 52 G N -0.574 108.334 108.800 0.180 0.000 2.806 52 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.236 52 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.236 52 G C -0.013 174.970 174.900 0.139 0.000 1.387 52 G CA -0.208 45.006 45.100 0.191 0.000 0.884 52 G HN 0.854 nan 8.290 nan 0.000 0.560 53 G N -2.511 106.356 108.800 0.111 0.000 3.217 53 G HA2 0.783 4.743 3.960 -0.000 0.000 0.213 53 G HA3 0.783 4.743 3.960 -0.000 0.000 0.213 53 G C 1.122 176.072 174.900 0.083 0.000 1.294 53 G CA 0.846 45.981 45.100 0.057 0.000 0.987 53 G HN 1.980 nan 8.290 nan 0.000 0.584 54 A N -0.449 122.416 122.820 0.075 0.000 2.239 54 A HA 0.030 4.350 4.320 -0.000 0.000 0.209 54 A C 1.886 179.537 177.584 0.112 0.000 1.171 54 A CA 1.549 53.653 52.037 0.112 0.000 0.768 54 A CB -0.984 18.054 19.000 0.063 0.000 0.790 54 A HN 0.746 nan 8.150 nan 0.000 0.478 55 N N 0.729 119.481 118.700 0.087 0.000 2.272 55 N HA -0.015 4.725 4.740 -0.000 0.000 0.185 55 N C 1.162 176.750 175.510 0.130 0.000 1.014 55 N CA 1.322 54.423 53.050 0.085 0.000 0.870 55 N CB -0.343 38.188 38.487 0.072 0.000 0.975 55 N HN 0.406 nan 8.380 nan 0.000 0.433 56 A N 0.183 123.102 122.820 0.165 0.000 3.188 56 A HA 0.582 4.902 4.320 -0.000 0.000 0.158 56 A C 0.945 178.670 177.584 0.235 0.000 1.832 56 A CA 0.369 52.516 52.037 0.184 0.000 1.046 56 A CB -0.922 18.215 19.000 0.229 0.000 1.770 56 A HN 0.863 nan 8.150 nan 0.000 0.817 57 G N -1.354 107.609 108.800 0.271 0.000 2.258 57 G HA2 0.271 4.231 3.960 -0.000 0.000 0.182 57 G HA3 0.271 4.231 3.960 -0.000 0.000 0.182 57 G C -0.820 174.166 174.900 0.143 0.000 1.790 57 G CA -0.557 44.656 45.100 0.189 0.000 1.128 57 G HN 0.805 nan 8.290 nan 0.000 0.606 58 H N 1.240 120.281 119.070 -0.049 0.000 2.580 58 H HA 0.487 5.043 4.556 -0.000 0.000 0.322 58 H C -0.213 175.090 175.328 -0.042 0.000 1.082 58 H CA 0.020 56.051 56.048 -0.029 0.000 1.383 58 H CB 1.620 31.365 29.762 -0.029 0.000 1.450 58 H HN 0.243 nan 8.280 nan 0.000 0.505 59 T N 5.636 120.238 114.554 0.080 0.000 2.772 59 T HA 0.390 4.740 4.350 -0.000 0.000 0.288 59 T C 0.440 175.188 174.700 0.080 0.000 0.994 59 T CA -0.645 61.479 62.100 0.040 0.000 0.951 59 T CB 0.151 69.051 68.868 0.053 0.000 0.933 59 T HN 0.481 nan 8.240 nan 0.000 0.447 60 I N -0.065 120.520 120.570 0.025 0.000 2.934 60 I HA 0.753 4.923 4.170 -0.000 0.000 0.306 60 I C -1.702 174.428 176.117 0.022 0.000 1.110 60 I CA -1.590 59.779 61.300 0.115 0.000 1.019 60 I CB 2.193 40.255 38.000 0.104 0.000 1.227 60 I HN 0.448 nan 8.210 nan 0.000 0.434 61 Y N 2.378 122.776 120.300 0.163 0.000 2.425 61 Y HA 0.380 4.930 4.550 -0.000 0.000 0.344 61 Y C 0.209 176.211 175.900 0.171 0.000 0.969 61 Y CA -0.777 57.432 58.100 0.183 0.000 1.052 61 Y CB 1.730 40.254 38.460 0.107 0.000 1.215 61 Y HN 0.780 nan 8.280 nan 0.000 0.451 62 N N -0.501 118.405 118.700 0.343 0.000 2.332 62 N HA 0.103 4.843 4.740 -0.000 0.000 0.285 62 N C 0.736 176.354 175.510 0.181 0.000 1.292 62 N CA 0.078 53.257 53.050 0.216 0.000 0.947 62 N CB -0.170 38.449 38.487 0.221 0.000 1.084 62 N HN 0.469 nan 8.380 nan 0.000 0.529 63 S N -0.799 114.979 115.700 0.129 0.000 2.368 63 S HA -0.083 4.387 4.470 -0.000 0.000 0.224 63 S C 1.269 175.930 174.600 0.102 0.000 1.029 63 S CA 1.138 59.402 58.200 0.107 0.000 0.988 63 S CB -0.446 62.804 63.200 0.083 0.000 0.838 63 S HN 0.592 nan 8.310 nan 0.000 0.462 64 E N 0.452 120.715 120.200 0.104 0.000 2.478 64 E HA 0.199 4.549 4.350 -0.000 0.000 0.198 64 E C 1.242 177.902 176.600 0.100 0.000 1.046 64 E CA 0.494 56.946 56.400 0.087 0.000 0.870 64 E CB -0.406 29.339 29.700 0.075 0.000 0.818 64 E HN 0.532 nan 8.360 nan 0.000 0.527 65 G N 1.142 110.031 108.800 0.148 0.000 2.132 65 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.228 65 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.228 65 G C 0.123 175.179 174.900 0.260 0.000 1.000 65 G CA 0.205 45.423 45.100 0.196 0.000 0.693 65 G HN 0.250 nan 8.290 nan 0.000 0.515 66 K N 0.712 121.213 120.400 0.169 0.000 2.276 66 K HA 0.392 4.712 4.320 -0.000 0.000 0.283 66 K C 0.673 177.136 176.600 -0.229 0.000 1.044 66 K CA -0.579 55.686 56.287 -0.038 0.000 0.944 66 K CB 0.411 32.831 32.500 -0.133 0.000 1.012 66 K HN 0.190 nan 8.250 nan 0.000 0.472 67 K N 4.337 124.485 120.400 -0.421 0.000 2.298 67 K HA 0.144 4.464 4.320 -0.000 0.000 0.280 67 K C -1.340 174.795 176.600 -0.774 0.000 1.032 67 K CA -0.123 55.706 56.287 -0.763 0.000 0.958 67 K CB 0.410 32.620 32.500 -0.484 0.000 0.978 67 K HN 0.409 nan 8.250 nan 0.000 0.472 68 F N 1.590 121.291 119.950 -0.416 0.000 2.547 68 F HA 0.417 4.944 4.527 -0.000 0.000 0.316 68 F C -0.249 175.415 175.800 -0.227 0.000 1.121 68 F CA -0.834 57.020 58.000 -0.244 0.000 0.911 68 F CB 2.302 41.190 39.000 -0.188 0.000 1.179 68 F HN 0.533 nan 8.300 nan 0.000 0.443 69 A N 4.740 127.551 122.820 -0.015 0.000 2.360 69 A HA 0.725 5.045 4.320 -0.000 0.000 0.309 69 A C -1.240 176.174 177.584 -0.283 0.000 1.311 69 A CA -0.477 51.488 52.037 -0.120 0.000 0.805 69 A CB 0.159 19.092 19.000 -0.113 0.000 1.144 69 A HN 0.555 nan 8.150 nan 0.000 0.486 70 L N 1.815 122.896 121.223 -0.237 0.000 2.421 70 L HA 0.489 4.829 4.340 -0.000 0.000 0.263 70 L C 1.255 177.856 176.870 -0.449 0.000 1.122 70 L CA 0.258 54.919 54.840 -0.299 0.000 0.804 70 L CB 0.239 42.197 42.059 -0.168 0.000 1.150 70 L HN 0.761 nan 8.230 nan 0.000 0.457 71 H N 0.558 119.630 119.070 0.004 0.000 2.074 71 H HA 0.285 4.841 4.556 0.000 0.000 0.198 71 H C 1.353 176.683 175.328 0.003 0.000 0.938 71 H CA 0.364 56.432 56.048 0.033 0.000 1.125 71 H CB 0.636 30.417 29.762 0.032 0.000 1.195 71 H HN 0.360 nan 8.280 nan 0.000 0.430 72 L N 1.227 122.524 121.223 0.124 0.000 2.362 72 L HA 0.151 4.491 4.340 -0.000 0.000 0.204 72 L C 0.290 177.151 176.870 -0.015 0.000 1.060 72 L CA 0.199 55.075 54.840 0.060 0.000 0.827 72 L CB 0.699 42.829 42.059 0.118 0.000 1.027 72 L HN -0.099 nan 8.230 nan 0.000 0.474 73 V N 1.923 121.816 119.914 -0.034 0.000 2.599 73 V HA 0.025 4.145 4.120 -0.000 0.000 0.300 73 V C -2.038 173.972 176.094 -0.140 0.000 1.034 73 V CA -0.943 61.312 62.300 -0.075 0.000 1.115 73 V CB 0.046 31.806 31.823 -0.106 0.000 0.934 73 V HN 0.076 nan 8.190 nan 0.000 0.485 74 P HA 0.141 nan 4.420 nan 0.000 0.269 74 P C 0.653 177.867 177.300 -0.144 0.000 1.215 74 P CA 0.025 63.029 63.100 -0.160 0.000 0.780 74 P CB 0.533 32.176 31.700 -0.095 0.000 0.898 75 S N 1.249 116.863 115.700 -0.144 0.000 2.507 75 S HA -0.057 4.413 4.470 -0.000 0.000 0.235 75 S C 1.921 176.510 174.600 -0.020 0.000 0.988 75 S CA 1.226 59.381 58.200 -0.076 0.000 0.944 75 S CB -0.861 62.334 63.200 -0.009 0.000 0.762 75 S HN 0.738 nan 8.310 nan 0.000 0.526 76 G N 0.807 109.609 108.800 0.003 0.000 2.848 76 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.208 76 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.208 76 G C 1.090 176.039 174.900 0.082 0.000 1.152 76 G CA -0.141 45.021 45.100 0.104 0.000 0.789 76 G HN 0.482 nan 8.290 nan 0.000 0.531 77 I N 0.513 121.061 120.570 -0.037 0.000 2.700 77 I HA -0.013 4.157 4.170 -0.000 0.000 0.261 77 I C 2.018 178.033 176.117 -0.170 0.000 1.219 77 I CA 0.727 61.974 61.300 -0.088 0.000 1.463 77 I CB 0.059 37.982 38.000 -0.128 0.000 1.092 77 I HN 0.125 nan 8.210 nan 0.000 0.452 78 L N 0.254 121.314 121.223 -0.272 0.000 2.599 78 L HA 0.056 4.396 4.340 -0.000 0.000 0.230 78 L C 0.084 176.623 176.870 -0.553 0.000 1.141 78 L CA 0.008 54.564 54.840 -0.473 0.000 0.877 78 L CB -0.668 41.027 42.059 -0.607 0.000 1.009 78 L HN 0.189 nan 8.230 nan 0.000 0.447 79 H N -0.074 118.961 119.070 -0.058 0.000 2.505 79 H HA 0.201 4.757 4.556 -0.000 0.000 0.338 79 H C 0.298 175.619 175.328 -0.012 0.000 1.057 79 H CA -0.607 55.428 56.048 -0.021 0.000 1.202 79 H CB 1.981 31.744 29.762 0.000 0.000 1.466 79 H HN -0.033 nan 8.280 nan 0.000 0.499 80 E N 2.912 123.161 120.200 0.081 0.000 2.049 80 E HA -0.115 4.235 4.350 -0.000 0.000 0.198 80 E C 1.857 178.493 176.600 0.059 0.000 1.007 80 E CA 1.261 57.693 56.400 0.052 0.000 0.809 80 E CB -0.382 29.341 29.700 0.038 0.000 0.749 80 E HN 0.863 nan 8.360 nan 0.000 0.450 81 G N 0.910 109.752 108.800 0.069 0.000 3.155 81 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.213 81 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.213 81 G C 0.009 174.944 174.900 0.058 0.000 1.196 81 G CA 0.120 45.251 45.100 0.052 0.000 0.846 81 G HN 0.030 nan 8.290 nan 0.000 0.516 82 T N 0.502 115.102 114.554 0.077 0.000 2.807 82 T HA 0.454 4.804 4.350 -0.000 0.000 0.279 82 T C -1.046 173.692 174.700 0.064 0.000 0.993 82 T CA -0.492 61.655 62.100 0.077 0.000 0.970 82 T CB 2.383 71.314 68.868 0.105 0.000 0.950 82 T HN 0.031 nan 8.240 nan 0.000 0.441 83 L N 3.545 124.802 121.223 0.057 0.000 2.287 83 L HA 0.574 4.914 4.340 -0.000 0.000 0.287 83 L C -0.658 176.238 176.870 0.043 0.000 1.022 83 L CA -0.586 54.285 54.840 0.051 0.000 0.814 83 L CB 0.169 42.256 42.059 0.048 0.000 1.217 83 L HN 0.750 nan 8.230 nan 0.000 0.420 84 C N 4.405 123.731 119.300 0.042 0.000 2.452 84 C HA 0.733 5.193 4.460 -0.000 0.000 0.379 84 C C 0.061 175.071 174.990 0.033 0.000 1.275 84 C CA -0.688 58.344 59.018 0.024 0.000 2.056 84 C CB 0.750 28.497 27.740 0.011 0.000 2.506 84 C HN 0.630 nan 8.230 nan 0.000 0.560 85 V N 3.843 123.765 119.914 0.014 0.000 2.638 85 V HA 0.409 4.529 4.120 -0.000 0.000 0.306 85 V C -0.452 175.641 176.094 -0.002 0.000 1.052 85 V CA -0.485 61.824 62.300 0.016 0.000 0.885 85 V CB 1.918 33.749 31.823 0.014 0.000 0.999 85 V HN 0.634 nan 8.190 nan 0.000 0.424 86 V N 4.181 124.092 119.914 -0.006 0.000 2.277 86 V HA 0.511 4.631 4.120 -0.000 0.000 0.269 86 V C 1.081 177.164 176.094 -0.018 0.000 1.036 86 V CA -0.197 62.089 62.300 -0.023 0.000 0.821 86 V CB 0.912 32.702 31.823 -0.054 0.000 1.052 86 V HN 1.007 nan 8.190 nan 0.000 0.462 87 G N 3.696 112.493 108.800 -0.005 0.000 2.750 87 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.250 87 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.250 87 G C 1.030 175.940 174.900 0.016 0.000 1.230 87 G CA 0.082 45.187 45.100 0.008 0.000 0.883 87 G HN 0.775 nan 8.290 nan 0.000 0.573 88 N N 0.064 118.783 118.700 0.031 0.000 2.453 88 N HA -0.088 4.652 4.740 -0.000 0.000 0.183 88 N C 1.877 177.434 175.510 0.080 0.000 1.041 88 N CA 1.091 54.172 53.050 0.051 0.000 0.900 88 N CB -0.164 38.358 38.487 0.058 0.000 0.961 88 N HN 0.515 nan 8.380 nan 0.000 0.443 89 G N 0.328 109.171 108.800 0.071 0.000 2.572 89 G HA2 0.218 4.178 3.960 -0.000 0.000 0.216 89 G HA3 0.218 4.178 3.960 -0.000 0.000 0.216 89 G C 0.789 175.774 174.900 0.141 0.000 1.133 89 G CA 0.467 45.630 45.100 0.104 0.000 0.791 89 G HN 0.610 nan 8.290 nan 0.000 0.538 90 A N -0.272 122.595 122.820 0.077 0.000 2.310 90 A HA 0.599 4.919 4.320 -0.000 0.000 0.260 90 A C -0.040 177.519 177.584 -0.042 0.000 1.112 90 A CA 0.323 52.389 52.037 0.047 0.000 0.804 90 A CB 0.571 19.574 19.000 0.005 0.000 1.081 90 A HN 1.011 nan 8.150 nan 0.000 0.499 91 V N -1.604 118.245 119.914 -0.108 0.000 2.577 91 V HA 0.681 4.801 4.120 -0.000 0.000 0.303 91 V C -0.717 175.284 176.094 -0.155 0.000 1.042 91 V CA -0.452 61.718 62.300 -0.217 0.000 0.872 91 V CB 1.078 32.642 31.823 -0.431 0.000 0.998 91 V HN 0.622 nan 8.190 nan 0.000 0.423 92 I N 4.390 124.854 120.570 -0.176 0.000 2.355 92 I HA 0.387 4.557 4.170 -0.000 0.000 0.288 92 I C -0.473 175.564 176.117 -0.134 0.000 0.999 92 I CA -0.555 60.636 61.300 -0.182 0.000 1.163 92 I CB 1.384 39.199 38.000 -0.309 0.000 1.316 92 I HN 0.826 nan 8.210 nan 0.000 0.454 93 H N 7.040 126.013 119.070 -0.162 0.000 2.882 93 H HA 0.221 4.777 4.556 0.000 0.000 0.258 93 H C 0.700 175.954 175.328 -0.124 0.000 1.579 93 H CA -0.439 55.547 56.048 -0.103 0.000 1.340 93 H CB 0.354 30.088 29.762 -0.046 0.000 1.645 93 H HN 0.467 nan 8.280 nan 0.000 0.541 94 V N 5.859 125.585 119.914 -0.313 0.000 2.311 94 V HA -0.271 3.849 4.120 -0.000 0.000 0.256 94 V C -0.608 175.060 176.094 -0.711 0.000 1.077 94 V CA 2.213 64.193 62.300 -0.534 0.000 1.067 94 V CB -1.337 30.233 31.823 -0.422 0.000 0.659 94 V HN 0.594 nan 8.190 nan 0.000 0.451 95 P HA -0.091 nan 4.420 nan 0.000 0.215 95 P C 1.774 178.875 177.300 -0.331 0.000 1.157 95 P CA 1.929 64.714 63.100 -0.525 0.000 0.863 95 P CB -0.385 31.120 31.700 -0.325 0.000 0.787 96 G N -1.152 107.383 108.800 -0.441 0.000 2.432 96 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.219 96 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.219 96 G C 1.399 176.242 174.900 -0.095 0.000 1.135 96 G CA 0.259 45.292 45.100 -0.113 0.000 0.767 96 G HN 0.193 nan 8.290 nan 0.000 0.550 97 F N 0.913 120.664 119.950 -0.332 0.000 2.046 97 F HA 0.015 4.542 4.527 -0.000 0.000 0.297 97 F C 2.328 177.922 175.800 -0.344 0.000 1.123 97 F CA 1.479 59.249 58.000 -0.384 0.000 1.199 97 F CB -0.362 38.275 39.000 -0.605 0.000 0.972 97 F HN 0.139 nan 8.300 nan 0.000 0.474 98 F N 0.547 120.359 119.950 -0.230 0.000 2.216 98 F HA -0.092 4.435 4.527 -0.000 0.000 0.300 98 F C 2.640 178.300 175.800 -0.234 0.000 1.085 98 F CA 0.813 58.640 58.000 -0.289 0.000 1.326 98 F CB -1.029 37.874 39.000 -0.163 0.000 1.027 98 F HN 0.144 nan 8.300 nan 0.000 0.497 99 G N -0.609 108.193 108.800 0.003 0.000 2.422 99 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 99 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 99 G C 1.430 176.306 174.900 -0.040 0.000 1.140 99 G CA 0.791 45.891 45.100 -0.000 0.000 0.775 99 G HN 0.391 nan 8.290 nan 0.000 0.545 100 E N -0.082 120.053 120.200 -0.109 0.000 2.107 100 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 100 E C 2.421 178.917 176.600 -0.174 0.000 0.982 100 E CA 0.413 56.754 56.400 -0.098 0.000 0.809 100 E CB -0.030 29.608 29.700 -0.103 0.000 0.756 100 E HN 0.302 nan 8.360 nan 0.000 0.459 101 I N 2.079 122.459 120.570 -0.317 0.000 2.202 101 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 101 I C 1.856 177.922 176.117 -0.085 0.000 1.091 101 I CA 1.273 62.411 61.300 -0.270 0.000 1.368 101 I CB -1.183 36.615 38.000 -0.337 0.000 1.058 101 I HN 0.158 nan 8.210 nan 0.000 0.410 102 D N 1.034 121.411 120.400 -0.038 0.000 2.149 102 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 102 D C 2.215 178.518 176.300 0.005 0.000 0.990 102 D CA 1.590 55.591 54.000 0.002 0.000 0.839 102 D CB -0.356 40.454 40.800 0.016 0.000 0.948 102 D HN 0.394 nan 8.370 nan 0.000 0.460 103 G N 0.054 108.854 108.800 -0.000 0.000 2.471 103 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.219 103 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.219 103 G C 1.585 176.506 174.900 0.036 0.000 1.125 103 G CA 0.188 45.299 45.100 0.019 0.000 0.775 103 G HN 0.163 nan 8.290 nan 0.000 0.548 104 L N -0.179 121.056 121.223 0.020 0.000 2.202 104 L HA 0.149 4.489 4.340 -0.000 0.000 0.205 104 L C 2.821 179.716 176.870 0.042 0.000 1.083 104 L CA 0.867 55.733 54.840 0.043 0.000 0.790 104 L CB -0.289 41.759 42.059 -0.018 0.000 0.942 104 L HN 0.095 nan 8.230 nan 0.000 0.452 105 Q N -0.631 119.184 119.800 0.024 0.000 2.167 105 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 105 Q C 2.334 178.355 176.000 0.034 0.000 0.970 105 Q CA 1.643 57.464 55.803 0.030 0.000 0.855 105 Q CB -0.371 28.386 28.738 0.031 0.000 0.911 105 Q HN 0.653 nan 8.270 nan 0.000 0.438 106 S N 0.048 115.768 115.700 0.033 0.000 2.453 106 S HA -0.018 4.452 4.470 -0.000 0.000 0.231 106 S C 1.184 175.806 174.600 0.036 0.000 1.005 106 S CA 0.480 58.697 58.200 0.028 0.000 0.949 106 S CB -0.203 63.009 63.200 0.020 0.000 0.774 106 S HN 0.327 nan 8.310 nan 0.000 0.510 107 N N 1.159 119.896 118.700 0.061 0.000 2.389 107 N HA 0.281 5.021 4.740 -0.000 0.000 0.237 107 N C 0.815 176.390 175.510 0.108 0.000 1.148 107 N CA 0.220 53.323 53.050 0.088 0.000 0.854 107 N CB 0.204 38.778 38.487 0.145 0.000 1.115 107 N HN 0.632 nan 8.380 nan 0.000 0.492 108 G N 0.348 109.188 108.800 0.066 0.000 2.196 108 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.268 108 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.268 108 G C 0.177 175.102 174.900 0.041 0.000 0.975 108 G CA 0.154 45.285 45.100 0.052 0.000 0.648 108 G HN 0.232 nan 8.290 nan 0.000 0.538 109 V N 2.442 122.381 119.914 0.041 0.000 2.334 109 V HA 0.547 4.667 4.120 -0.000 0.000 0.267 109 V C 1.000 177.096 176.094 0.003 0.000 1.040 109 V CA -0.142 62.156 62.300 -0.004 0.000 0.866 109 V CB 1.035 32.823 31.823 -0.058 0.000 1.019 109 V HN 0.785 nan 8.190 nan 0.000 0.468 110 S N 3.343 119.048 115.700 0.009 0.000 2.592 110 S HA 0.221 4.691 4.470 -0.000 0.000 0.271 110 S C 0.556 175.179 174.600 0.039 0.000 1.326 110 S CA -0.519 57.698 58.200 0.029 0.000 1.024 110 S CB 1.150 64.367 63.200 0.028 0.000 0.921 110 S HN 0.724 nan 8.310 nan 0.000 0.527 111 C N -0.099 119.252 119.300 0.086 0.000 3.757 111 C HA 0.312 4.772 4.460 -0.000 0.000 0.358 111 C C 0.182 175.316 174.990 0.239 0.000 1.484 111 C CA -0.581 58.523 59.018 0.144 0.000 1.862 111 C CB -0.772 27.052 27.740 0.139 0.000 2.654 111 C HN 0.817 nan 8.230 nan 0.000 0.699 112 D N 1.803 122.298 120.400 0.157 0.000 2.451 112 D HA 0.308 4.948 4.640 -0.000 0.000 0.254 112 D C 1.235 177.551 176.300 0.026 0.000 1.204 112 D CA 1.776 55.807 54.000 0.053 0.000 0.896 112 D CB 0.438 41.239 40.800 0.000 0.000 1.136 112 D HN 0.642 nan 8.370 nan 0.000 0.499 113 G N 3.353 112.149 108.800 -0.007 0.000 2.143 113 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.248 113 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.248 113 G C 0.933 175.872 174.900 0.065 0.000 0.991 113 G CA -0.060 45.047 45.100 0.011 0.000 0.689 113 G HN 0.577 nan 8.290 nan 0.000 0.522 114 R N -0.942 119.631 120.500 0.120 0.000 2.549 114 R HA 0.452 4.792 4.340 -0.000 0.000 0.344 114 R C 0.232 176.612 176.300 0.133 0.000 0.979 114 R CA 0.038 56.201 56.100 0.105 0.000 1.140 114 R CB 0.811 31.157 30.300 0.076 0.000 1.377 114 R HN 0.437 nan 8.270 nan 0.000 0.541 115 I N 1.677 122.383 120.570 0.226 0.000 2.571 115 I HA 0.315 4.485 4.170 -0.000 0.000 0.289 115 I C -0.806 175.487 176.117 0.293 0.000 1.115 115 I CA -0.688 60.750 61.300 0.229 0.000 1.045 115 I CB 2.412 40.539 38.000 0.213 0.000 1.238 115 I HN -0.178 nan 8.210 nan 0.000 0.424 116 L N 6.292 127.614 121.223 0.165 0.000 2.325 116 L HA 0.637 4.977 4.340 -0.000 0.000 0.278 116 L C -0.708 176.207 176.870 0.075 0.000 1.023 116 L CA -1.040 53.883 54.840 0.139 0.000 0.811 116 L CB 2.243 44.353 42.059 0.084 0.000 1.249 116 L HN 0.252 nan 8.230 nan 0.000 0.431 117 V N 1.777 121.722 119.914 0.053 0.000 2.376 117 V HA 0.148 4.268 4.120 -0.000 0.000 0.287 117 V C 0.333 176.406 176.094 -0.034 0.000 1.015 117 V CA -0.473 61.792 62.300 -0.059 0.000 0.834 117 V CB 1.662 33.372 31.823 -0.189 0.000 1.001 117 V HN 0.838 nan 8.190 nan 0.000 0.428 118 S N 3.446 119.125 115.700 -0.035 0.000 2.596 118 S HA -0.046 4.424 4.470 -0.000 0.000 0.298 118 S C 1.446 176.033 174.600 -0.021 0.000 1.255 118 S CA 0.080 58.273 58.200 -0.012 0.000 1.083 118 S CB 0.222 63.419 63.200 -0.005 0.000 0.837 118 S HN 0.921 nan 8.310 nan 0.000 0.499 119 D N 5.292 125.693 120.400 0.001 0.000 2.264 119 D HA -0.154 4.486 4.640 -0.000 0.000 0.208 119 D C 1.196 177.488 176.300 -0.012 0.000 0.966 119 D CA 0.957 54.958 54.000 0.001 0.000 0.864 119 D CB -0.097 40.717 40.800 0.023 0.000 0.933 119 D HN 0.639 nan 8.370 nan 0.000 0.499 120 R N 0.312 120.809 120.500 -0.004 0.000 2.317 120 R HA 0.353 4.693 4.340 -0.000 0.000 0.208 120 R C 0.603 176.903 176.300 -0.001 0.000 0.914 120 R CA 0.039 56.135 56.100 -0.007 0.000 1.060 120 R CB 0.431 30.748 30.300 0.029 0.000 1.015 120 R HN 0.094 nan 8.270 nan 0.000 0.498 121 A N 1.294 124.107 122.820 -0.013 0.000 2.401 121 A HA 0.198 4.518 4.320 -0.000 0.000 0.259 121 A C -0.609 176.953 177.584 -0.037 0.000 1.103 121 A CA -0.373 51.671 52.037 0.011 0.000 0.789 121 A CB 0.134 19.108 19.000 -0.043 0.000 1.035 121 A HN 0.218 nan 8.150 nan 0.000 0.491 122 H N 0.318 119.319 119.070 -0.116 0.000 2.671 122 H HA 0.437 4.993 4.556 -0.000 0.000 0.372 122 H C -0.137 175.070 175.328 -0.202 0.000 1.227 122 H CA 0.174 56.139 56.048 -0.139 0.000 1.426 122 H CB 0.406 30.063 29.762 -0.175 0.000 1.480 122 H HN 0.526 nan 8.280 nan 0.000 0.611 123 L N 2.178 123.330 121.223 -0.118 0.000 2.295 123 L HA 0.222 4.562 4.340 -0.000 0.000 0.285 123 L C -0.735 175.874 176.870 -0.435 0.000 1.035 123 L CA -0.944 53.688 54.840 -0.346 0.000 0.806 123 L CB 1.111 42.840 42.059 -0.550 0.000 1.214 123 L HN 0.232 nan 8.230 nan 0.000 0.426 124 L N 4.481 125.476 121.223 -0.380 0.000 2.264 124 L HA 0.502 4.842 4.340 -0.000 0.000 0.287 124 L C -0.741 176.146 176.870 0.028 0.000 1.039 124 L CA 0.149 54.856 54.840 -0.221 0.000 0.829 124 L CB 0.144 42.094 42.059 -0.182 0.000 1.211 124 L HN 0.191 nan 8.230 nan 0.000 0.427 125 F N 2.359 122.605 119.950 0.493 0.000 2.380 125 F HA 0.286 4.813 4.527 0.000 0.000 0.321 125 F C 1.469 177.477 175.800 0.348 0.000 1.103 125 F CA -0.362 57.912 58.000 0.456 0.000 1.067 125 F CB 0.554 39.720 39.000 0.277 0.000 1.265 125 F HN 0.451 nan 8.300 nan 0.000 0.517 126 D N 0.378 121.134 120.400 0.594 0.000 2.221 126 D HA -0.157 4.483 4.640 -0.000 0.000 0.204 126 D C 2.105 178.528 176.300 0.204 0.000 0.982 126 D CA 0.937 55.153 54.000 0.361 0.000 0.857 126 D CB -0.142 40.896 40.800 0.397 0.000 0.934 126 D HN 0.403 nan 8.370 nan 0.000 0.475 127 L N 0.601 121.917 121.223 0.154 0.000 1.971 127 L HA -0.237 4.103 4.340 -0.000 0.000 0.215 127 L C 1.980 178.747 176.870 -0.172 0.000 1.072 127 L CA 1.954 56.702 54.840 -0.154 0.000 0.758 127 L CB -0.767 40.952 42.059 -0.566 0.000 0.889 127 L HN 0.232 nan 8.230 nan 0.000 0.433 128 H N -0.524 118.532 119.070 -0.024 0.000 2.387 128 H HA -0.181 4.375 4.556 0.000 0.000 0.299 128 H C 2.257 177.544 175.328 -0.067 0.000 1.099 128 H CA 1.983 58.000 56.048 -0.051 0.000 1.315 128 H CB -0.472 29.280 29.762 -0.016 0.000 1.380 128 H HN 0.686 nan 8.280 nan 0.000 0.513 129 Q N 1.194 121.035 119.800 0.068 0.000 2.020 129 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 129 Q C 2.605 178.593 176.000 -0.020 0.000 0.982 129 Q CA 2.466 58.267 55.803 -0.002 0.000 0.838 129 Q CB -1.585 27.135 28.738 -0.029 0.000 0.899 129 Q HN 0.741 nan 8.270 nan 0.000 0.423 130 T N -2.302 112.245 114.554 -0.012 0.000 2.821 130 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 130 T C 1.968 176.580 174.700 -0.147 0.000 1.046 130 T CA 1.423 63.502 62.100 -0.034 0.000 1.139 130 T CB -0.523 68.376 68.868 0.052 0.000 0.871 130 T HN 0.295 nan 8.240 nan 0.000 0.454 131 V N 2.249 122.046 119.914 -0.195 0.000 2.358 131 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 131 V C 2.653 178.588 176.094 -0.265 0.000 1.047 131 V CA 2.154 64.257 62.300 -0.327 0.000 1.035 131 V CB -0.901 30.796 31.823 -0.210 0.000 0.658 131 V HN 0.514 nan 8.190 nan 0.000 0.452 132 D N 0.546 120.877 120.400 -0.114 0.000 2.123 132 D HA -0.136 4.504 4.640 -0.000 0.000 0.196 132 D C 2.180 178.420 176.300 -0.099 0.000 0.992 132 D CA 1.676 55.637 54.000 -0.064 0.000 0.833 132 D CB -0.464 40.322 40.800 -0.023 0.000 0.954 132 D HN 0.357 nan 8.370 nan 0.000 0.455 133 G N 0.185 108.917 108.800 -0.112 0.000 2.418 133 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 133 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 133 G C 1.799 176.605 174.900 -0.158 0.000 1.158 133 G CA 0.603 45.643 45.100 -0.101 0.000 0.771 133 G HN 0.353 nan 8.290 nan 0.000 0.545 134 L N -0.179 120.863 121.223 -0.302 0.000 2.079 134 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 134 L C 3.191 179.886 176.870 -0.293 0.000 1.081 134 L CA 0.753 55.328 54.840 -0.442 0.000 0.752 134 L CB -0.320 41.115 42.059 -1.039 0.000 0.896 134 L HN 0.087 nan 8.230 nan 0.000 0.433 135 R N 0.197 120.566 120.500 -0.219 0.000 2.083 135 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 135 R C 2.138 178.439 176.300 0.001 0.000 1.137 135 R CA 1.308 57.425 56.100 0.028 0.000 0.951 135 R CB -0.501 29.828 30.300 0.049 0.000 0.851 135 R HN 0.414 nan 8.270 nan 0.000 0.434 136 E N 0.369 120.538 120.200 -0.051 0.000 2.152 136 E HA -0.041 4.309 4.350 -0.000 0.000 0.192 136 E C 1.945 178.485 176.600 -0.101 0.000 0.983 136 E CA 0.960 57.313 56.400 -0.078 0.000 0.818 136 E CB -0.323 29.323 29.700 -0.089 0.000 0.758 136 E HN 0.261 nan 8.360 nan 0.000 0.467 137 A N 1.992 124.767 122.820 -0.076 0.000 1.986 137 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 137 A C 2.029 179.594 177.584 -0.030 0.000 1.171 137 A CA 2.032 54.036 52.037 -0.054 0.000 0.640 137 A CB -0.450 18.530 19.000 -0.034 0.000 0.811 137 A HN 0.443 nan 8.150 nan 0.000 0.451 138 E N -1.059 119.141 120.200 -0.001 0.000 2.364 138 E HA 0.281 4.631 4.350 -0.000 0.000 0.196 138 E C 1.104 177.705 176.600 0.001 0.000 0.990 138 E CA -0.343 56.072 56.400 0.025 0.000 0.886 138 E CB -0.380 29.370 29.700 0.083 0.000 0.866 138 E HN 0.541 nan 8.360 nan 0.000 0.493 139 L N 0.930 122.140 121.223 -0.021 0.000 2.425 139 L HA 0.171 4.511 4.340 -0.000 0.000 0.225 139 L C 1.533 178.365 176.870 -0.062 0.000 1.222 139 L CA 0.535 55.353 54.840 -0.036 0.000 0.832 139 L CB 0.348 42.379 42.059 -0.046 0.000 1.238 139 L HN 0.113 nan 8.230 nan 0.000 0.533 140 A N 1.075 123.862 122.820 -0.055 0.000 2.285 140 A HA -0.161 4.159 4.320 -0.000 0.000 0.214 140 A C 0.759 178.275 177.584 -0.113 0.000 1.188 140 A CA 1.300 53.305 52.037 -0.052 0.000 0.707 140 A CB -0.973 18.012 19.000 -0.025 0.000 0.771 140 A HN 0.845 nan 8.150 nan 0.000 0.488 141 N N -0.854 117.722 118.700 -0.206 0.000 2.781 141 N HA -0.130 4.610 4.740 -0.000 0.000 0.267 141 N C -0.138 175.000 175.510 -0.621 0.000 1.172 141 N CA 0.816 53.578 53.050 -0.480 0.000 0.659 141 N CB -1.630 36.537 38.487 -0.534 0.000 0.941 141 N HN 0.752 nan 8.380 nan 0.000 0.563 142 S N 0.533 116.001 115.700 -0.387 0.000 2.568 142 S HA 0.569 5.039 4.470 -0.000 0.000 0.282 142 S C 0.199 174.591 174.600 -0.347 0.000 1.338 142 S CA -0.102 57.964 58.200 -0.223 0.000 1.045 142 S CB 0.797 63.944 63.200 -0.089 0.000 0.873 142 S HN 0.267 nan 8.310 nan 0.000 0.516 143 F N 1.162 121.131 119.950 0.032 0.000 2.556 143 F HA 0.526 5.053 4.527 -0.000 0.000 0.327 143 F C 0.231 176.046 175.800 0.025 0.000 1.059 143 F CA -1.933 56.082 58.000 0.026 0.000 0.953 143 F CB 0.983 39.996 39.000 0.022 0.000 1.227 143 F HN 0.496 nan 8.300 nan 0.000 0.478 144 I N 2.168 123.028 120.570 0.483 0.000 2.999 144 I HA -0.039 4.131 4.170 -0.000 0.000 0.126 144 I C 0.237 176.440 176.117 0.142 0.000 0.912 144 I CA 1.049 62.471 61.300 0.204 0.000 2.775 144 I CB -1.975 36.062 38.000 0.062 0.000 0.783 144 I HN 0.715 nan 8.210 nan 0.000 0.349 145 G N 4.103 112.974 108.800 0.118 0.000 2.046 145 G HA2 0.343 4.303 3.960 -0.000 0.000 0.245 145 G HA3 0.343 4.303 3.960 -0.000 0.000 0.245 145 G C 0.051 174.994 174.900 0.072 0.000 1.723 145 G CA -0.265 44.887 45.100 0.086 0.000 0.909 145 G HN 0.825 nan 8.290 nan 0.000 0.737 146 T N -0.588 114.000 114.554 0.057 0.000 3.609 146 T HA 0.204 4.554 4.350 -0.000 0.000 0.245 146 T C 1.393 176.115 174.700 0.036 0.000 0.980 146 T CA 0.441 62.568 62.100 0.045 0.000 0.940 146 T CB -0.610 68.282 68.868 0.040 0.000 1.105 146 T HN 1.068 nan 8.240 nan 0.000 0.627 147 T N 0.083 114.661 114.554 0.039 0.000 4.492 147 T HA 0.158 4.508 4.350 -0.000 0.000 0.222 147 T C 0.841 175.551 174.700 0.016 0.000 0.836 147 T CA -0.741 61.379 62.100 0.032 0.000 0.900 147 T CB -0.277 68.617 68.868 0.042 0.000 1.399 147 T HN 0.151 nan 8.240 nan 0.000 0.877 148 K N 1.999 122.402 120.400 0.006 0.000 2.706 148 K HA 0.030 4.350 4.320 -0.000 0.000 0.217 148 K C 0.699 177.283 176.600 -0.028 0.000 1.019 148 K CA -0.036 56.245 56.287 -0.010 0.000 1.181 148 K CB -0.228 32.268 32.500 -0.007 0.000 0.940 148 K HN 0.735 nan 8.250 nan 0.000 0.491 149 R N -0.135 120.354 120.500 -0.019 0.000 2.413 149 R HA 0.125 4.465 4.340 -0.000 0.000 0.333 149 R C 0.846 177.130 176.300 -0.025 0.000 1.074 149 R CA 0.108 56.191 56.100 -0.029 0.000 0.982 149 R CB -0.394 29.907 30.300 0.001 0.000 0.981 149 R HN -0.031 nan 8.270 nan 0.000 0.452 150 G N 4.175 112.946 108.800 -0.049 0.000 3.318 150 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.230 150 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.230 150 G C 0.921 175.790 174.900 -0.053 0.000 1.317 150 G CA -0.373 44.719 45.100 -0.014 0.000 1.197 150 G HN 0.589 nan 8.290 nan 0.000 0.514 151 I N 1.719 122.274 120.570 -0.025 0.000 2.142 151 I HA -0.108 4.062 4.170 -0.000 0.000 0.240 151 I C 2.904 179.073 176.117 0.088 0.000 1.078 151 I CA 1.481 62.790 61.300 0.015 0.000 1.343 151 I CB -1.426 36.632 38.000 0.096 0.000 1.046 151 I HN 0.267 nan 8.210 nan 0.000 0.405 152 G N 2.154 111.007 108.800 0.087 0.000 2.586 152 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 152 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 152 G C -0.431 174.522 174.900 0.088 0.000 1.216 152 G CA 0.927 46.084 45.100 0.096 0.000 0.786 152 G HN 0.295 nan 8.290 nan 0.000 0.583 153 P HA -0.074 nan 4.420 nan 0.000 0.216 153 P C 2.146 179.499 177.300 0.088 0.000 1.150 153 P CA 1.100 64.273 63.100 0.122 0.000 0.837 153 P CB -0.132 31.679 31.700 0.185 0.000 0.786 154 C N -1.937 117.243 119.300 -0.200 0.000 2.453 154 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 154 C C 2.397 177.203 174.990 -0.308 0.000 1.262 154 C CA 0.716 59.385 59.018 -0.582 0.000 1.718 154 C CB -2.008 25.267 27.740 -0.774 0.000 2.031 154 C HN 0.153 nan 8.230 nan 0.000 0.480 155 Y N 0.687 120.894 120.300 -0.154 0.000 2.403 155 Y HA -0.087 4.463 4.550 -0.000 0.000 0.291 155 Y C 2.969 178.809 175.900 -0.101 0.000 1.143 155 Y CA 1.726 59.740 58.100 -0.144 0.000 1.257 155 Y CB -0.603 37.792 38.460 -0.108 0.000 0.984 155 Y HN 0.418 nan 8.280 nan 0.000 0.550 156 S N -1.144 114.605 115.700 0.082 0.000 2.357 156 S HA -0.163 4.307 4.470 -0.000 0.000 0.221 156 S C 2.356 176.985 174.600 0.048 0.000 1.031 156 S CA 1.498 59.735 58.200 0.062 0.000 0.982 156 S CB -0.425 62.815 63.200 0.067 0.000 0.853 156 S HN 0.418 nan 8.310 nan 0.000 0.458 157 S N 1.328 117.071 115.700 0.072 0.000 2.383 157 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 157 S C 1.840 176.484 174.600 0.073 0.000 1.030 157 S CA 1.498 59.760 58.200 0.104 0.000 1.002 157 S CB -0.375 62.966 63.200 0.235 0.000 0.829 157 S HN 0.602 nan 8.310 nan 0.000 0.467 158 K N 1.089 121.483 120.400 -0.010 0.000 2.002 158 K HA -0.076 4.244 4.320 -0.000 0.000 0.209 158 K C 1.985 178.567 176.600 -0.031 0.000 1.048 158 K CA 1.422 57.632 56.287 -0.130 0.000 0.930 158 K CB -0.370 31.817 32.500 -0.521 0.000 0.714 158 K HN 0.151 nan 8.250 nan 0.000 0.438 159 V N 1.233 121.135 119.914 -0.018 0.000 2.392 159 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 159 V C 2.085 178.187 176.094 0.012 0.000 1.059 159 V CA 2.292 64.593 62.300 0.000 0.000 1.051 159 V CB -0.502 31.324 31.823 0.004 0.000 0.658 159 V HN 0.516 nan 8.190 nan 0.000 0.455 160 T N -0.979 113.587 114.554 0.020 0.000 3.035 160 T HA -0.059 4.291 4.350 -0.000 0.000 0.268 160 T C 1.202 175.919 174.700 0.029 0.000 1.109 160 T CA 0.723 62.835 62.100 0.019 0.000 1.119 160 T CB -0.165 68.713 68.868 0.018 0.000 0.900 160 T HN 0.540 nan 8.240 nan 0.000 0.503 161 R N 0.470 121.001 120.500 0.052 0.000 3.951 161 R HA -0.155 4.185 4.340 -0.000 0.000 0.352 161 R C 0.355 176.691 176.300 0.060 0.000 1.178 161 R CA 1.027 57.170 56.100 0.071 0.000 0.949 161 R CB -2.067 28.261 30.300 0.047 0.000 1.452 161 R HN 0.550 nan 8.270 nan 0.000 0.540 162 N N 0.091 118.824 118.700 0.054 0.000 2.205 162 N HA 0.067 4.807 4.740 -0.000 0.000 0.201 162 N C 0.659 176.198 175.510 0.048 0.000 1.128 162 N CA 0.682 53.749 53.050 0.029 0.000 0.867 162 N CB 0.431 38.919 38.487 0.001 0.000 0.996 162 N HN 0.282 nan 8.380 nan 0.000 0.503 163 G N 0.343 109.214 108.800 0.118 0.000 2.562 163 G HA2 0.540 4.500 3.960 -0.000 0.000 0.275 163 G HA3 0.540 4.500 3.960 -0.000 0.000 0.275 163 G C -0.620 174.358 174.900 0.131 0.000 1.196 163 G CA -0.467 44.746 45.100 0.187 0.000 0.908 163 G HN 0.143 nan 8.290 nan 0.000 0.524 164 L N -0.352 120.972 121.223 0.168 0.000 2.352 164 L HA 0.623 4.963 4.340 -0.000 0.000 0.269 164 L C 0.880 177.712 176.870 -0.063 0.000 1.034 164 L CA -0.458 54.422 54.840 0.066 0.000 0.806 164 L CB 1.552 43.696 42.059 0.142 0.000 1.244 164 L HN 0.515 nan 8.230 nan 0.000 0.447 165 R N -0.019 120.413 120.500 -0.113 0.000 2.919 165 R HA 0.477 4.817 4.340 -0.000 0.000 0.260 165 R C 0.721 177.002 176.300 -0.032 0.000 1.067 165 R CA -1.015 54.965 56.100 -0.201 0.000 1.003 165 R CB 1.338 31.447 30.300 -0.319 0.000 1.192 165 R HN 0.282 nan 8.270 nan 0.000 0.488 166 V N 0.764 120.646 119.914 -0.053 0.000 2.380 166 V HA -0.323 3.797 4.120 -0.000 0.000 0.251 166 V C 2.440 178.561 176.094 0.045 0.000 1.063 166 V CA 2.301 64.596 62.300 -0.009 0.000 1.055 166 V CB -0.854 30.937 31.823 -0.054 0.000 0.657 166 V HN 1.010 nan 8.190 nan 0.000 0.455 167 C N -0.503 118.823 119.300 0.043 0.000 2.419 167 C HA -0.136 4.324 4.460 -0.000 0.000 0.281 167 C C 2.208 177.295 174.990 0.163 0.000 1.336 167 C CA 0.365 59.435 59.018 0.086 0.000 1.770 167 C CB -1.292 26.498 27.740 0.084 0.000 1.929 167 C HN 0.533 nan 8.230 nan 0.000 0.509 168 D N 1.538 122.054 120.400 0.194 0.000 2.218 168 D HA -0.045 4.595 4.640 -0.000 0.000 0.204 168 D C 2.045 178.557 176.300 0.355 0.000 0.976 168 D CA 1.022 55.210 54.000 0.312 0.000 0.853 168 D CB -0.327 40.666 40.800 0.323 0.000 0.939 168 D HN 0.594 nan 8.370 nan 0.000 0.481 169 L N 0.108 121.466 121.223 0.224 0.000 2.456 169 L HA -0.024 4.316 4.340 -0.000 0.000 0.224 169 L C 2.167 179.031 176.870 -0.008 0.000 1.148 169 L CA 0.576 55.460 54.840 0.073 0.000 0.825 169 L CB -0.120 41.983 42.059 0.073 0.000 0.937 169 L HN -0.122 nan 8.230 nan 0.000 0.450 170 R N -1.118 119.341 120.500 -0.069 0.000 2.297 170 R HA 0.063 4.403 4.340 -0.000 0.000 0.197 170 R C 0.024 175.994 176.300 -0.549 0.000 0.943 170 R CA 0.375 56.296 56.100 -0.299 0.000 1.038 170 R CB 0.213 30.287 30.300 -0.376 0.000 0.957 170 R HN 0.383 nan 8.270 nan 0.000 0.484 171 H N -0.167 118.959 119.070 0.093 0.000 2.380 171 H HA 0.163 4.719 4.556 -0.000 0.000 0.231 171 H C 0.606 176.020 175.328 0.143 0.000 1.415 171 H CA -0.370 55.736 56.048 0.097 0.000 1.433 171 H CB 0.963 30.779 29.762 0.090 0.000 1.544 171 H HN -0.064 nan 8.280 nan 0.000 0.503 172 M N 0.133 119.823 119.600 0.149 0.000 2.446 172 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 172 M C 1.152 177.566 176.300 0.190 0.000 1.066 172 M CA 0.758 56.146 55.300 0.148 0.000 1.087 172 M CB -0.341 32.272 32.600 0.022 0.000 1.406 172 M HN 0.412 nan 8.290 nan 0.000 0.459 173 D N 0.272 120.770 120.400 0.162 0.000 2.087 173 D HA -0.153 4.487 4.640 -0.000 0.000 0.192 173 D C 1.866 178.245 176.300 0.131 0.000 0.993 173 D CA 2.350 56.426 54.000 0.127 0.000 0.828 173 D CB -0.475 40.392 40.800 0.113 0.000 0.968 173 D HN 0.451 nan 8.370 nan 0.000 0.448 174 T N -1.838 112.806 114.554 0.151 0.000 3.067 174 T HA -0.041 4.309 4.350 -0.000 0.000 0.257 174 T C 1.841 176.616 174.700 0.125 0.000 1.105 174 T CA -0.207 61.957 62.100 0.107 0.000 1.104 174 T CB -0.545 68.364 68.868 0.067 0.000 0.925 174 T HN 0.014 nan 8.240 nan 0.000 0.498 175 F N 2.981 122.966 119.950 0.058 0.000 2.154 175 F HA 0.035 4.562 4.527 0.000 0.000 0.301 175 F C 2.300 178.102 175.800 0.002 0.000 1.087 175 F CA 1.330 59.359 58.000 0.048 0.000 1.274 175 F CB -0.809 38.237 39.000 0.077 0.000 1.009 175 F HN 0.260 nan 8.300 nan 0.000 0.485 176 G N 0.324 109.246 108.800 0.204 0.000 2.511 176 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.216 176 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.216 176 G C 1.001 175.866 174.900 -0.059 0.000 1.218 176 G CA 1.097 46.245 45.100 0.080 0.000 0.788 176 G HN 0.561 nan 8.290 nan 0.000 0.560 177 D N -0.365 120.014 120.400 -0.035 0.000 2.378 177 D HA 0.056 4.696 4.640 -0.000 0.000 0.227 177 D C 1.964 178.203 176.300 -0.102 0.000 1.012 177 D CA 0.654 54.620 54.000 -0.056 0.000 0.905 177 D CB 0.094 40.881 40.800 -0.021 0.000 0.895 177 D HN 0.376 nan 8.370 nan 0.000 0.532 178 K N -0.644 119.657 120.400 -0.164 0.000 2.308 178 K HA 0.127 4.447 4.320 -0.000 0.000 0.197 178 K C 1.496 177.913 176.600 -0.304 0.000 1.049 178 K CA -0.025 56.139 56.287 -0.206 0.000 0.991 178 K CB 0.186 32.558 32.500 -0.213 0.000 0.836 178 K HN 0.064 nan 8.250 nan 0.000 0.500 179 L N 2.358 123.316 121.223 -0.442 0.000 2.127 179 L HA -0.092 4.248 4.340 -0.000 0.000 0.203 179 L C 1.911 178.630 176.870 -0.251 0.000 1.080 179 L CA 1.756 56.303 54.840 -0.488 0.000 0.768 179 L CB -0.310 41.338 42.059 -0.685 0.000 0.924 179 L HN 0.208 nan 8.230 nan 0.000 0.444 180 D N -0.828 119.412 120.400 -0.266 0.000 2.218 180 D HA -0.199 4.441 4.640 -0.000 0.000 0.204 180 D C 2.072 178.255 176.300 -0.195 0.000 0.976 180 D CA 1.392 55.230 54.000 -0.270 0.000 0.853 180 D CB -0.621 40.078 40.800 -0.169 0.000 0.939 180 D HN 0.316 nan 8.370 nan 0.000 0.481 181 V N 1.513 121.341 119.914 -0.144 0.000 2.287 181 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 181 V C 2.544 178.567 176.094 -0.118 0.000 1.053 181 V CA 1.922 64.155 62.300 -0.113 0.000 1.027 181 V CB -0.495 31.273 31.823 -0.091 0.000 0.646 181 V HN 0.451 nan 8.190 nan 0.000 0.447 182 L N -3.956 117.191 121.223 -0.127 0.000 2.492 182 L HA 0.129 4.469 4.340 -0.000 0.000 0.223 182 L C 2.320 179.032 176.870 -0.263 0.000 1.132 182 L CA 1.187 55.921 54.840 -0.175 0.000 0.850 182 L CB -0.861 41.087 42.059 -0.184 0.000 0.966 182 L HN 0.213 nan 8.230 nan 0.000 0.454 183 F N 1.375 121.093 119.950 -0.387 0.000 2.163 183 F HA -0.101 4.426 4.527 -0.000 0.000 0.297 183 F C 2.782 178.347 175.800 -0.392 0.000 1.094 183 F CA 1.750 59.503 58.000 -0.412 0.000 1.290 183 F CB 0.044 38.694 39.000 -0.583 0.000 1.017 183 F HN 0.174 nan 8.300 nan 0.000 0.483 184 E N 0.128 120.178 120.200 -0.250 0.000 2.072 184 E HA -0.261 4.089 4.350 -0.000 0.000 0.191 184 E C 2.044 178.606 176.600 -0.064 0.000 0.985 184 E CA 1.389 57.708 56.400 -0.134 0.000 0.801 184 E CB -0.237 29.401 29.700 -0.103 0.000 0.750 184 E HN 0.343 nan 8.360 nan 0.000 0.452 185 D N 0.256 120.585 120.400 -0.117 0.000 2.087 185 D HA -0.200 4.440 4.640 -0.000 0.000 0.192 185 D C 1.907 178.121 176.300 -0.143 0.000 0.993 185 D CA 1.763 55.694 54.000 -0.115 0.000 0.828 185 D CB -0.176 40.547 40.800 -0.127 0.000 0.968 185 D HN 0.242 nan 8.370 nan 0.000 0.448 186 A N 1.066 123.733 122.820 -0.255 0.000 1.948 186 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 186 A C 2.455 179.937 177.584 -0.170 0.000 1.177 186 A CA 2.826 54.667 52.037 -0.327 0.000 0.636 186 A CB -0.895 17.636 19.000 -0.782 0.000 0.815 186 A HN 0.408 nan 8.150 nan 0.000 0.449 187 A N -0.306 122.504 122.820 -0.016 0.000 1.898 187 A HA 0.185 4.505 4.320 -0.000 0.000 0.216 187 A C 2.511 180.189 177.584 0.157 0.000 1.181 187 A CA 2.012 54.238 52.037 0.315 0.000 0.620 187 A CB -1.022 18.261 19.000 0.471 0.000 0.819 187 A HN 1.130 nan 8.150 nan 0.000 0.442 188 A N -0.323 122.532 122.820 0.057 0.000 1.933 188 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 188 A C 2.161 179.712 177.584 -0.056 0.000 1.175 188 A CA 2.167 54.209 52.037 0.009 0.000 0.628 188 A CB -0.397 18.593 19.000 -0.018 0.000 0.814 188 A HN 0.500 nan 8.150 nan 0.000 0.444 189 R N -0.618 119.801 120.500 -0.134 0.000 2.065 189 R HA 0.098 4.438 4.340 -0.000 0.000 0.224 189 R C -0.311 175.768 176.300 -0.368 0.000 1.161 189 R CA 1.025 56.915 56.100 -0.350 0.000 0.923 189 R CB -0.743 29.209 30.300 -0.579 0.000 0.822 189 R HN 0.339 nan 8.270 nan 0.000 0.437 190 F N 1.528 121.476 119.950 -0.004 0.000 2.404 190 F HA 0.195 4.722 4.527 -0.000 0.000 0.345 190 F C 1.424 177.278 175.800 0.090 0.000 1.110 190 F CA -0.359 57.662 58.000 0.035 0.000 1.130 190 F CB 1.409 40.428 39.000 0.031 0.000 1.129 190 F HN 0.347 nan 8.300 nan 0.000 0.500 191 E N 0.885 121.232 120.200 0.245 0.000 2.358 191 E HA 0.003 4.353 4.350 -0.000 0.000 0.195 191 E C 1.551 178.267 176.600 0.194 0.000 1.010 191 E CA 0.643 57.150 56.400 0.178 0.000 0.856 191 E CB -0.107 29.663 29.700 0.116 0.000 0.795 191 E HN 0.811 nan 8.360 nan 0.000 0.504 192 G N 0.873 109.813 108.800 0.234 0.000 3.374 192 G HA2 0.160 4.120 3.960 -0.000 0.000 0.252 192 G HA3 0.160 4.120 3.960 -0.000 0.000 0.252 192 G C -0.956 174.093 174.900 0.248 0.000 1.326 192 G CA -0.329 44.877 45.100 0.177 0.000 1.133 192 G HN 0.220 nan 8.290 nan 0.000 0.528 193 F N -0.365 119.646 119.950 0.103 0.000 2.722 193 F HA 0.440 4.967 4.527 -0.000 0.000 0.336 193 F C 0.349 176.224 175.800 0.126 0.000 1.216 193 F CA -0.965 57.097 58.000 0.104 0.000 1.065 193 F CB 1.774 40.841 39.000 0.111 0.000 1.325 193 F HN -0.183 nan 8.300 nan 0.000 0.524 194 K N 3.873 124.162 120.400 -0.186 0.000 2.365 194 K HA 0.092 4.412 4.320 -0.000 0.000 0.195 194 K C -0.854 175.762 176.600 0.027 0.000 1.079 194 K CA 0.162 56.432 56.287 -0.028 0.000 0.979 194 K CB 0.149 32.615 32.500 -0.057 0.000 0.929 194 K HN 0.714 nan 8.250 nan 0.000 0.523 195 Y N 1.402 121.490 120.300 -0.353 0.000 2.852 195 Y HA -0.279 4.271 4.550 -0.000 0.000 0.103 195 Y C -0.619 175.270 175.900 -0.019 0.000 1.903 195 Y CA -0.138 57.924 58.100 -0.064 0.000 1.090 195 Y CB -1.780 36.868 38.460 0.314 0.000 1.730 195 Y HN -0.048 nan 8.280 nan 0.000 0.315 196 S N 4.560 120.087 115.700 -0.287 0.000 2.565 196 S HA 0.233 4.703 4.470 -0.000 0.000 0.276 196 S C 1.322 175.615 174.600 -0.512 0.000 1.326 196 S CA -0.060 57.933 58.200 -0.346 0.000 1.045 196 S CB 1.195 64.292 63.200 -0.172 0.000 0.918 196 S HN 0.735 nan 8.310 nan 0.000 0.505 197 K N 2.994 123.102 120.400 -0.487 0.000 2.283 197 K HA -0.044 4.276 4.320 -0.000 0.000 0.202 197 K C 1.820 178.307 176.600 -0.188 0.000 1.048 197 K CA 1.206 57.265 56.287 -0.379 0.000 0.948 197 K CB -0.543 31.812 32.500 -0.243 0.000 0.742 197 K HN 0.801 nan 8.250 nan 0.000 0.458 198 G N 0.571 109.280 108.800 -0.152 0.000 2.408 198 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 198 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 198 G C 1.367 176.233 174.900 -0.057 0.000 1.156 198 G CA 0.233 45.283 45.100 -0.084 0.000 0.793 198 G HN 0.176 nan 8.290 nan 0.000 0.535 199 M N -0.207 119.357 119.600 -0.059 0.000 2.296 199 M HA 0.059 4.539 4.480 -0.000 0.000 0.265 199 M C 2.357 178.654 176.300 -0.005 0.000 1.064 199 M CA 0.738 56.042 55.300 0.007 0.000 1.109 199 M CB -0.150 32.484 32.600 0.056 0.000 1.396 199 M HN 0.290 nan 8.290 nan 0.000 0.430 200 L N 0.668 121.854 121.223 -0.062 0.000 2.056 200 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 200 L C 2.291 179.120 176.870 -0.069 0.000 1.078 200 L CA 1.817 56.571 54.840 -0.143 0.000 0.749 200 L CB -0.516 41.523 42.059 -0.033 0.000 0.901 200 L HN 0.028 nan 8.230 nan 0.000 0.433 201 K N 0.049 120.428 120.400 -0.034 0.000 2.059 201 K HA -0.241 4.079 4.320 -0.000 0.000 0.212 201 K C 2.094 178.702 176.600 0.013 0.000 1.050 201 K CA 1.624 57.906 56.287 -0.008 0.000 0.927 201 K CB -0.605 31.885 32.500 -0.016 0.000 0.714 201 K HN 0.478 nan 8.250 nan 0.000 0.447 202 E N 1.345 121.556 120.200 0.018 0.000 2.017 202 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 202 E C 1.821 178.471 176.600 0.085 0.000 0.997 202 E CA 1.125 57.548 56.400 0.038 0.000 0.804 202 E CB 0.098 29.826 29.700 0.047 0.000 0.757 202 E HN 0.193 nan 8.360 nan 0.000 0.448 203 E N 0.299 120.577 120.200 0.131 0.000 2.136 203 E HA -0.187 4.163 4.350 -0.000 0.000 0.202 203 E C 2.269 179.061 176.600 0.320 0.000 1.019 203 E CA 1.370 57.934 56.400 0.274 0.000 0.819 203 E CB -0.291 29.519 29.700 0.183 0.000 0.739 203 E HN 0.186 nan 8.360 nan 0.000 0.458 204 V N 0.929 120.957 119.914 0.190 0.000 2.270 204 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 204 V C 2.116 178.261 176.094 0.085 0.000 1.043 204 V CA 1.897 64.310 62.300 0.188 0.000 1.014 204 V CB -0.464 31.445 31.823 0.143 0.000 0.645 204 V HN 0.111 nan 8.190 nan 0.000 0.447 205 E N -0.346 119.881 120.200 0.045 0.000 2.268 205 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 205 E C 2.236 178.792 176.600 -0.074 0.000 0.995 205 E CA 0.698 57.090 56.400 -0.014 0.000 0.836 205 E CB -0.262 29.427 29.700 -0.019 0.000 0.763 205 E HN 0.460 nan 8.360 nan 0.000 0.491 206 R N -0.796 119.668 120.500 -0.059 0.000 2.055 206 R HA -0.091 4.249 4.340 -0.000 0.000 0.228 206 R C 1.427 177.466 176.300 -0.436 0.000 1.143 206 R CA 1.119 57.055 56.100 -0.273 0.000 0.945 206 R CB -0.267 29.935 30.300 -0.164 0.000 0.841 206 R HN 0.223 nan 8.270 nan 0.000 0.429 207 Y N 0.737 120.954 120.300 -0.139 0.000 2.571 207 Y HA -0.038 4.512 4.550 -0.000 0.000 0.294 207 Y C 2.201 178.026 175.900 -0.125 0.000 1.141 207 Y CA 1.046 59.141 58.100 -0.008 0.000 1.308 207 Y CB 0.026 38.497 38.460 0.018 0.000 1.002 207 Y HN 0.117 nan 8.280 nan 0.000 0.551 208 K N 0.726 121.096 120.400 -0.049 0.000 2.155 208 K HA -0.158 4.162 4.320 -0.000 0.000 0.203 208 K C 2.176 178.750 176.600 -0.044 0.000 1.052 208 K CA 1.096 57.343 56.287 -0.068 0.000 0.948 208 K CB 0.051 32.517 32.500 -0.058 0.000 0.728 208 K HN 0.136 nan 8.250 nan 0.000 0.448 209 K N -0.294 120.045 120.400 -0.102 0.000 2.116 209 K HA -0.040 4.280 4.320 -0.000 0.000 0.203 209 K C 1.776 178.381 176.600 0.007 0.000 1.052 209 K CA 0.927 57.151 56.287 -0.105 0.000 0.952 209 K CB -0.066 32.304 32.500 -0.217 0.000 0.729 209 K HN 0.119 nan 8.250 nan 0.000 0.446 210 F N 0.867 120.796 119.950 -0.035 0.000 2.171 210 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 210 F C 2.438 178.328 175.800 0.149 0.000 1.090 210 F CA 0.367 58.400 58.000 0.056 0.000 1.293 210 F CB -0.089 38.944 39.000 0.055 0.000 1.013 210 F HN 0.184 nan 8.300 nan 0.000 0.486 211 A N -0.161 122.825 122.820 0.276 0.000 1.978 211 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 211 A C 2.145 179.814 177.584 0.141 0.000 1.170 211 A CA 1.821 53.962 52.037 0.173 0.000 0.636 211 A CB -0.739 18.296 19.000 0.059 0.000 0.810 211 A HN 0.433 nan 8.150 nan 0.000 0.448 212 E N -0.322 119.940 120.200 0.102 0.000 2.051 212 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 212 E C 2.181 178.833 176.600 0.086 0.000 0.991 212 E CA 0.925 57.361 56.400 0.060 0.000 0.799 212 E CB -0.189 29.522 29.700 0.017 0.000 0.748 212 E HN 0.420 nan 8.360 nan 0.000 0.449 213 R N 0.329 120.895 120.500 0.110 0.000 2.073 213 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 213 R C 2.489 179.064 176.300 0.459 0.000 1.120 213 R CA 0.565 56.739 56.100 0.123 0.000 0.967 213 R CB -0.750 29.389 30.300 -0.268 0.000 0.862 213 R HN 0.249 nan 8.270 nan 0.000 0.436 214 L N 1.724 123.336 121.223 0.650 0.000 2.217 214 L HA -0.055 4.285 4.340 -0.000 0.000 0.211 214 L C 2.108 179.218 176.870 0.400 0.000 1.107 214 L CA 1.571 56.822 54.840 0.685 0.000 0.783 214 L CB -0.396 41.896 42.059 0.390 0.000 0.919 214 L HN 0.019 nan 8.230 nan 0.000 0.442 215 E N 0.600 120.935 120.200 0.224 0.000 2.086 215 E HA -0.221 4.129 4.350 -0.000 0.000 0.205 215 E C -0.454 176.175 176.600 0.049 0.000 1.027 215 E CA 2.291 58.753 56.400 0.104 0.000 0.830 215 E CB -1.430 28.302 29.700 0.054 0.000 0.751 215 E HN 0.468 nan 8.360 nan 0.000 0.456 216 P HA -0.108 nan 4.420 nan 0.000 0.226 216 P C 1.228 178.403 177.300 -0.209 0.000 1.153 216 P CA 0.973 63.969 63.100 -0.175 0.000 0.777 216 P CB -0.242 31.271 31.700 -0.311 0.000 0.794 217 F N 0.197 120.194 119.950 0.079 0.000 2.270 217 F HA 0.134 4.661 4.527 0.000 0.000 0.295 217 F C 1.765 177.575 175.800 0.018 0.000 1.087 217 F CA -0.058 57.980 58.000 0.064 0.000 1.365 217 F CB -0.920 38.133 39.000 0.089 0.000 1.056 217 F HN -0.281 nan 8.300 nan 0.000 0.506 218 I N 0.884 121.562 120.570 0.179 0.000 2.815 218 I HA 0.219 4.389 4.170 -0.000 0.000 0.291 218 I C 0.231 176.389 176.117 0.068 0.000 1.209 218 I CA 0.095 61.448 61.300 0.087 0.000 1.431 218 I CB -0.028 38.007 38.000 0.058 0.000 1.351 218 I HN 0.090 nan 8.210 nan 0.000 0.585 219 A N 4.449 127.303 122.820 0.056 0.000 2.590 219 A HA 0.239 4.559 4.320 -0.000 0.000 0.294 219 A C -0.994 176.624 177.584 0.058 0.000 1.046 219 A CA -0.742 51.329 52.037 0.058 0.000 0.684 219 A CB 1.128 20.165 19.000 0.063 0.000 1.279 219 A HN 0.667 nan 8.150 nan 0.000 0.415 220 D N 1.859 122.303 120.400 0.074 0.000 2.385 220 D HA 0.116 4.756 4.640 -0.000 0.000 0.260 220 D C 1.318 177.672 176.300 0.090 0.000 1.326 220 D CA 1.021 55.072 54.000 0.086 0.000 1.023 220 D CB 0.480 41.349 40.800 0.115 0.000 1.083 220 D HN 0.452 nan 8.370 nan 0.000 0.517 221 T N 2.332 116.921 114.554 0.060 0.000 2.665 221 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 221 T C 2.008 176.738 174.700 0.050 0.000 1.035 221 T CA 1.300 63.427 62.100 0.046 0.000 1.151 221 T CB 0.162 69.048 68.868 0.030 0.000 0.862 221 T HN 0.294 nan 8.240 nan 0.000 0.438 222 V N 0.573 120.526 119.914 0.064 0.000 2.261 222 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 222 V C 2.200 178.349 176.094 0.091 0.000 1.047 222 V CA 2.380 64.721 62.300 0.067 0.000 1.015 222 V CB -0.769 31.095 31.823 0.069 0.000 0.642 222 V HN 0.576 nan 8.190 nan 0.000 0.446 223 H N 0.225 119.306 119.070 0.018 0.000 2.293 223 H HA -0.141 4.415 4.556 -0.000 0.000 0.300 223 H C 2.091 177.430 175.328 0.018 0.000 1.082 223 H CA 2.299 58.357 56.048 0.017 0.000 1.308 223 H CB -0.498 29.275 29.762 0.017 0.000 1.375 223 H HN 0.125 nan 8.280 nan 0.000 0.495 224 V N 0.892 120.764 119.914 -0.070 0.000 2.231 224 V HA -0.328 3.792 4.120 -0.000 0.000 0.250 224 V C 2.855 178.885 176.094 -0.106 0.000 1.058 224 V CA 2.170 64.398 62.300 -0.120 0.000 1.022 224 V CB -0.908 30.907 31.823 -0.013 0.000 0.640 224 V HN 0.394 nan 8.190 nan 0.000 0.445 225 L N -0.187 121.010 121.223 -0.044 0.000 1.990 225 L HA -0.265 4.075 4.340 -0.000 0.000 0.213 225 L C 2.327 179.174 176.870 -0.039 0.000 1.072 225 L CA 2.462 57.287 54.840 -0.026 0.000 0.755 225 L CB -0.872 41.185 42.059 -0.003 0.000 0.889 225 L HN 0.428 nan 8.230 nan 0.000 0.432 226 N N -0.669 118.005 118.700 -0.043 0.000 2.120 226 N HA -0.235 4.505 4.740 -0.000 0.000 0.188 226 N C 1.795 177.262 175.510 -0.071 0.000 1.024 226 N CA 1.039 54.068 53.050 -0.035 0.000 0.852 226 N CB -0.018 38.469 38.487 -0.001 0.000 1.003 226 N HN 0.237 nan 8.380 nan 0.000 0.424 227 E N 0.663 120.763 120.200 -0.168 0.000 2.077 227 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 227 E C 1.746 178.287 176.600 -0.097 0.000 0.989 227 E CA 1.181 57.469 56.400 -0.187 0.000 0.800 227 E CB -0.109 29.362 29.700 -0.381 0.000 0.746 227 E HN 0.134 nan 8.360 nan 0.000 0.452 228 S N -0.039 115.611 115.700 -0.082 0.000 2.365 228 S HA -0.173 4.297 4.470 -0.000 0.000 0.225 228 S C 1.941 176.531 174.600 -0.017 0.000 1.039 228 S CA 1.426 59.603 58.200 -0.037 0.000 1.033 228 S CB -0.383 62.806 63.200 -0.019 0.000 0.887 228 S HN 0.320 nan 8.310 nan 0.000 0.447 229 I N 0.952 121.514 120.570 -0.014 0.000 2.286 229 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 229 I C 2.617 178.732 176.117 -0.003 0.000 1.115 229 I CA 1.145 62.445 61.300 0.000 0.000 1.392 229 I CB -0.345 37.657 38.000 0.004 0.000 1.065 229 I HN 0.176 nan 8.210 nan 0.000 0.418 230 R N 0.610 121.103 120.500 -0.012 0.000 2.152 230 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 230 R C 1.673 177.968 176.300 -0.008 0.000 1.117 230 R CA 1.006 57.101 56.100 -0.008 0.000 0.981 230 R CB -0.118 30.176 30.300 -0.010 0.000 0.870 230 R HN 0.521 nan 8.270 nan 0.000 0.451 231 Q N 0.260 120.053 119.800 -0.012 0.000 2.280 231 Q HA 0.057 4.397 4.340 -0.000 0.000 0.202 231 Q C -0.390 175.606 176.000 -0.006 0.000 0.903 231 Q CA -0.069 55.729 55.803 -0.009 0.000 0.948 231 Q CB 0.633 29.364 28.738 -0.013 0.000 1.058 231 Q HN -0.050 nan 8.270 nan 0.000 0.493 232 K N 0.600 120.998 120.400 -0.003 0.000 3.129 232 K HA -0.139 4.181 4.320 -0.000 0.000 0.273 232 K C -0.924 175.676 176.600 0.000 0.000 1.123 232 K CA 0.640 56.926 56.287 -0.001 0.000 0.800 232 K CB -0.952 31.544 32.500 -0.007 0.000 1.238 232 K HN 0.056 nan 8.250 nan 0.000 0.492 233 K N 1.646 122.051 120.400 0.008 0.000 2.312 233 K HA 0.153 4.473 4.320 -0.000 0.000 0.287 233 K C 0.199 176.828 176.600 0.049 0.000 1.062 233 K CA -0.241 56.057 56.287 0.018 0.000 0.934 233 K CB 0.786 33.297 32.500 0.019 0.000 1.027 233 K HN 0.114 nan 8.250 nan 0.000 0.478 234 K N 2.285 122.717 120.400 0.055 0.000 2.401 234 K HA 0.157 4.477 4.320 -0.000 0.000 0.278 234 K C 0.225 177.024 176.600 0.332 0.000 1.018 234 K CA -0.273 56.104 56.287 0.149 0.000 0.981 234 K CB 0.415 32.873 32.500 -0.070 0.000 0.933 234 K HN 0.416 nan 8.250 nan 0.000 0.477 235 I N 2.946 123.758 120.570 0.404 0.000 2.534 235 I HA 0.246 4.416 4.170 -0.000 0.000 0.288 235 I C -1.890 174.167 176.117 -0.100 0.000 1.077 235 I CA -0.946 60.464 61.300 0.182 0.000 1.051 235 I CB 1.518 39.559 38.000 0.068 0.000 1.234 235 I HN 0.447 nan 8.210 nan 0.000 0.425 236 L N 8.660 129.607 121.223 -0.461 0.000 2.287 236 L HA 0.673 5.013 4.340 -0.000 0.000 0.287 236 L C -1.131 175.536 176.870 -0.339 0.000 1.022 236 L CA -0.406 53.972 54.840 -0.771 0.000 0.814 236 L CB 1.574 42.873 42.059 -1.265 0.000 1.217 236 L HN 0.467 nan 8.230 nan 0.000 0.420 237 V N 4.730 124.504 119.914 -0.233 0.000 2.432 237 V HA 0.307 4.427 4.120 -0.000 0.000 0.275 237 V C 0.242 176.274 176.094 -0.103 0.000 1.043 237 V CA -0.612 61.612 62.300 -0.126 0.000 0.925 237 V CB 1.188 32.966 31.823 -0.074 0.000 0.985 237 V HN 0.808 nan 8.190 nan 0.000 0.466 238 E N 3.902 124.058 120.200 -0.073 0.000 2.089 238 E HA 0.449 4.799 4.350 -0.000 0.000 0.284 238 E C 0.493 177.108 176.600 0.025 0.000 1.023 238 E CA -0.476 55.907 56.400 -0.029 0.000 0.819 238 E CB 0.994 30.660 29.700 -0.056 0.000 1.076 238 E HN 0.863 nan 8.360 nan 0.000 0.396 239 G N 2.808 111.638 108.800 0.050 0.000 2.441 239 G HA2 0.187 4.146 3.960 -0.000 0.000 0.243 239 G HA3 0.187 4.146 3.960 -0.000 0.000 0.243 239 G C 0.809 175.784 174.900 0.124 0.000 1.281 239 G CA -0.022 45.115 45.100 0.062 0.000 0.854 239 G HN 0.700 nan 8.290 nan 0.000 0.560 240 G N 0.930 109.792 108.800 0.102 0.000 2.454 240 G HA2 0.143 4.103 3.960 -0.000 0.000 0.214 240 G HA3 0.143 4.103 3.960 -0.000 0.000 0.214 240 G C 0.805 175.768 174.900 0.104 0.000 1.217 240 G CA 0.771 45.958 45.100 0.145 0.000 0.799 240 G HN 0.623 nan 8.290 nan 0.000 0.538 241 Q N -1.618 118.213 119.800 0.052 0.000 3.323 241 Q HA 0.662 5.002 4.340 -0.000 0.000 0.329 241 Q C -0.730 175.269 176.000 -0.001 0.000 0.939 241 Q CA -0.912 54.903 55.803 0.020 0.000 0.828 241 Q CB 1.548 30.307 28.738 0.036 0.000 1.564 241 Q HN 0.345 nan 8.270 nan 0.000 0.463 242 A N -0.011 122.799 122.820 -0.018 0.000 2.269 242 A HA 0.400 4.720 4.320 -0.000 0.000 0.319 242 A C 0.753 178.294 177.584 -0.072 0.000 1.110 242 A CA 0.112 52.116 52.037 -0.056 0.000 0.847 242 A CB 0.636 19.577 19.000 -0.098 0.000 1.161 242 A HN 0.790 nan 8.150 nan 0.000 0.497 243 T N -1.234 113.270 114.554 -0.084 0.000 2.995 243 T HA -0.076 4.274 4.350 -0.000 0.000 0.269 243 T C 1.238 175.863 174.700 -0.125 0.000 1.091 243 T CA 1.338 63.398 62.100 -0.068 0.000 1.128 243 T CB -0.297 68.523 68.868 -0.079 0.000 0.891 243 T HN 0.381 nan 8.240 nan 0.000 0.492 244 M N 0.084 119.478 119.600 -0.344 0.000 2.630 244 M HA 0.307 4.787 4.480 -0.000 0.000 0.254 244 M C 1.254 177.353 176.300 -0.336 0.000 1.092 244 M CA 0.411 55.359 55.300 -0.587 0.000 1.087 244 M CB -0.871 30.772 32.600 -1.595 0.000 1.453 244 M HN 0.284 nan 8.290 nan 0.000 0.509 245 L N -0.408 120.724 121.223 -0.152 0.000 2.693 245 L HA 0.222 4.562 4.340 -0.000 0.000 0.235 245 L C 0.684 177.583 176.870 0.048 0.000 1.127 245 L CA 0.128 54.987 54.840 0.031 0.000 0.914 245 L CB -0.230 41.861 42.059 0.054 0.000 1.193 245 L HN 0.126 nan 8.230 nan 0.000 0.502 246 D N -0.073 120.349 120.400 0.036 0.000 2.488 246 D HA -0.123 4.517 4.640 -0.000 0.000 0.238 246 D C 1.516 177.826 176.300 0.017 0.000 1.138 246 D CA 0.096 54.117 54.000 0.036 0.000 0.873 246 D CB 1.236 42.109 40.800 0.122 0.000 1.183 246 D HN 0.080 nan 8.370 nan 0.000 0.458 247 I N 3.447 123.989 120.570 -0.047 0.000 2.423 247 I HA -0.238 3.932 4.170 -0.000 0.000 0.254 247 I C 1.390 177.444 176.117 -0.104 0.000 1.151 247 I CA 1.605 62.884 61.300 -0.035 0.000 1.421 247 I CB 0.049 37.987 38.000 -0.102 0.000 1.079 247 I HN 0.402 nan 8.210 nan 0.000 0.431 248 D N -0.865 119.351 120.400 -0.307 0.000 2.490 248 D HA 0.032 4.672 4.640 -0.000 0.000 0.244 248 D C 1.926 177.957 176.300 -0.448 0.000 0.979 248 D CA 1.118 54.788 54.000 -0.550 0.000 0.924 248 D CB -0.039 40.135 40.800 -1.042 0.000 1.075 248 D HN 0.392 nan 8.370 nan 0.000 0.488 249 F N 1.510 121.487 119.950 0.045 0.000 2.619 249 F HA 0.230 4.757 4.527 0.000 0.000 0.293 249 F C 1.869 177.776 175.800 0.178 0.000 1.119 249 F CA -0.287 57.786 58.000 0.121 0.000 1.445 249 F CB -0.111 38.903 39.000 0.024 0.000 1.119 249 F HN -0.158 nan 8.300 nan 0.000 0.573 250 G N 0.291 109.235 108.800 0.240 0.000 2.583 250 G HA2 0.206 4.166 3.960 -0.000 0.000 0.275 250 G HA3 0.206 4.166 3.960 -0.000 0.000 0.275 250 G C 0.172 175.262 174.900 0.318 0.000 1.342 250 G CA -0.182 45.044 45.100 0.211 0.000 1.030 250 G HN 0.159 nan 8.290 nan 0.000 0.520 251 T N -1.709 113.079 114.554 0.391 0.000 4.219 251 T HA 0.176 4.526 4.350 -0.000 0.000 0.263 251 T C 0.007 174.939 174.700 0.386 0.000 1.217 251 T CA -0.447 61.926 62.100 0.455 0.000 1.145 251 T CB -0.669 68.541 68.868 0.571 0.000 1.298 251 T HN 0.328 nan 8.240 nan 0.000 0.999 252 Y N 4.465 124.871 120.300 0.177 0.000 2.597 252 Y HA 0.186 4.736 4.550 -0.000 0.000 0.336 252 Y C -1.056 174.861 175.900 0.028 0.000 1.216 252 Y CA -1.588 56.550 58.100 0.063 0.000 1.463 252 Y CB 0.991 39.462 38.460 0.018 0.000 1.303 252 Y HN 0.312 nan 8.280 nan 0.000 0.576 253 P HA -0.035 nan 4.420 nan 0.000 0.249 253 P C -0.395 176.464 177.300 -0.736 0.000 1.229 253 P CA 0.578 62.905 63.100 -1.289 0.000 0.788 253 P CB -0.111 30.850 31.700 -1.232 0.000 1.072 254 F N 2.175 122.043 119.950 -0.137 0.000 2.677 254 F HA 0.113 4.640 4.527 -0.000 0.000 0.358 254 F C 1.243 177.074 175.800 0.051 0.000 1.266 254 F CA -0.168 57.815 58.000 -0.029 0.000 1.262 254 F CB -0.603 38.407 39.000 0.018 0.000 1.684 254 F HN -0.156 nan 8.300 nan 0.000 0.671 255 V N -2.555 117.413 119.914 0.090 0.000 3.112 255 V HA 0.641 4.761 4.120 -0.000 0.000 0.310 255 V C -0.325 175.804 176.094 0.059 0.000 1.364 255 V CA -0.944 61.428 62.300 0.120 0.000 1.058 255 V CB 1.577 33.480 31.823 0.135 0.000 1.079 255 V HN 0.092 nan 8.190 nan 0.000 0.463 256 T N -0.119 114.465 114.554 0.049 0.000 2.934 256 T HA 0.432 4.782 4.350 -0.000 0.000 0.283 256 T C 1.152 175.829 174.700 -0.037 0.000 1.005 256 T CA 0.323 62.432 62.100 0.015 0.000 1.041 256 T CB 1.390 70.270 68.868 0.019 0.000 1.042 256 T HN 1.586 nan 8.240 nan 0.000 0.505 257 S N 1.613 117.272 115.700 -0.069 0.000 2.607 257 S HA 0.120 4.590 4.470 -0.000 0.000 0.224 257 S C 1.010 175.342 174.600 -0.447 0.000 0.969 257 S CA 0.037 58.142 58.200 -0.157 0.000 0.927 257 S CB -0.206 62.966 63.200 -0.047 0.000 0.772 257 S HN 0.601 nan 8.310 nan 0.000 0.533 258 S N 0.557 115.997 115.700 -0.433 0.000 2.722 258 S HA 0.595 5.065 4.470 -0.000 0.000 0.292 258 S C -0.318 174.130 174.600 -0.254 0.000 1.135 258 S CA -0.648 57.232 58.200 -0.534 0.000 1.003 258 S CB 1.430 64.416 63.200 -0.355 0.000 1.067 258 S HN 0.224 nan 8.310 nan 0.000 0.546 259 S N 3.173 118.755 115.700 -0.196 0.000 2.512 259 S HA 0.363 4.833 4.470 -0.000 0.000 0.291 259 S C -2.242 172.337 174.600 -0.035 0.000 1.151 259 S CA -0.961 57.182 58.200 -0.095 0.000 1.120 259 S CB 1.170 64.319 63.200 -0.085 0.000 1.029 259 S HN 0.564 nan 8.310 nan 0.000 0.485 260 P HA -0.018 nan 4.420 nan 0.000 0.237 260 P C 0.677 177.986 177.300 0.016 0.000 1.178 260 P CA 0.319 63.424 63.100 0.007 0.000 0.766 260 P CB 0.067 31.771 31.700 0.007 0.000 0.876 261 S N -0.657 115.062 115.700 0.032 0.000 2.617 261 S HA 0.349 4.819 4.470 -0.000 0.000 0.259 261 S C 1.667 176.253 174.600 -0.023 0.000 1.301 261 S CA -0.003 58.200 58.200 0.005 0.000 0.984 261 S CB 0.391 63.631 63.200 0.067 0.000 0.954 261 S HN 0.050 nan 8.310 nan 0.000 0.572 262 A N 1.046 123.813 122.820 -0.089 0.000 1.933 262 A HA 0.117 4.437 4.320 -0.000 0.000 0.218 262 A C 2.274 179.827 177.584 -0.052 0.000 1.175 262 A CA 1.784 53.769 52.037 -0.087 0.000 0.628 262 A CB -1.950 16.953 19.000 -0.162 0.000 0.814 262 A HN 1.216 nan 8.150 nan 0.000 0.444 263 G N -0.441 108.337 108.800 -0.037 0.000 2.469 263 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.220 263 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.220 263 G C 1.493 176.392 174.900 -0.002 0.000 1.136 263 G CA 1.262 46.357 45.100 -0.008 0.000 0.759 263 G HN 0.767 nan 8.290 nan 0.000 0.562 264 G N 1.317 110.119 108.800 0.003 0.000 2.470 264 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.220 264 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.220 264 G C 1.752 176.652 174.900 -0.001 0.000 1.121 264 G CA 0.912 46.010 45.100 -0.003 0.000 0.766 264 G HN 0.720 nan 8.290 nan 0.000 0.553 265 I N -2.168 118.398 120.570 -0.006 0.000 2.761 265 I HA 0.018 4.188 4.170 -0.000 0.000 0.261 265 I C 2.258 178.374 176.117 -0.003 0.000 1.198 265 I CA 0.370 61.667 61.300 -0.005 0.000 1.482 265 I CB -0.500 37.493 38.000 -0.012 0.000 1.100 265 I HN 0.049 nan 8.210 nan 0.000 0.445 266 C N 1.911 121.208 119.300 -0.004 0.000 2.518 266 C HA -0.078 4.382 4.460 -0.000 0.000 0.279 266 C C 3.153 178.147 174.990 0.007 0.000 1.279 266 C CA 1.603 60.620 59.018 -0.001 0.000 1.703 266 C CB -0.901 26.836 27.740 -0.005 0.000 2.072 266 C HN 0.692 nan 8.230 nan 0.000 0.487 267 T N -1.216 113.341 114.554 0.006 0.000 2.962 267 T HA 0.006 4.356 4.350 -0.000 0.000 0.270 267 T C 1.678 176.392 174.700 0.024 0.000 1.088 267 T CA 1.807 63.915 62.100 0.012 0.000 1.127 267 T CB -0.438 68.432 68.868 0.004 0.000 0.883 267 T HN 0.531 nan 8.240 nan 0.000 0.493 268 G N 0.389 109.202 108.800 0.022 0.000 2.662 268 G HA2 0.316 4.276 3.960 -0.000 0.000 0.212 268 G HA3 0.316 4.276 3.960 -0.000 0.000 0.212 268 G C 1.348 176.265 174.900 0.029 0.000 1.141 268 G CA 0.017 45.137 45.100 0.033 0.000 0.797 268 G HN 0.518 nan 8.290 nan 0.000 0.531 269 L N -0.966 120.269 121.223 0.020 0.000 2.577 269 L HA 0.341 4.681 4.340 -0.000 0.000 0.225 269 L C 1.705 178.588 176.870 0.021 0.000 1.053 269 L CA 0.572 55.422 54.840 0.017 0.000 0.866 269 L CB 0.472 42.535 42.059 0.007 0.000 1.132 269 L HN 0.296 nan 8.230 nan 0.000 0.486 270 G N 2.177 110.989 108.800 0.021 0.000 2.164 270 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.212 270 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.212 270 G C -0.003 174.908 174.900 0.019 0.000 1.031 270 G CA 0.239 45.353 45.100 0.024 0.000 0.730 270 G HN 0.369 nan 8.290 nan 0.000 0.501 271 I N -2.227 118.350 120.570 0.012 0.000 2.648 271 I HA 0.886 5.056 4.170 -0.000 0.000 0.304 271 I C 0.587 176.707 176.117 0.005 0.000 1.009 271 I CA -1.175 60.130 61.300 0.009 0.000 1.114 271 I CB 2.039 40.043 38.000 0.006 0.000 1.293 271 I HN 0.390 nan 8.210 nan 0.000 0.449 272 A N 4.936 127.759 122.820 0.005 0.000 2.477 272 A HA 0.394 4.714 4.320 -0.000 0.000 0.246 272 A C -1.713 175.869 177.584 -0.004 0.000 1.078 272 A CA -1.088 50.950 52.037 0.002 0.000 0.770 272 A CB -0.323 18.679 19.000 0.003 0.000 1.011 272 A HN 0.735 nan 8.150 nan 0.000 0.494 273 P HA -0.201 nan 4.420 nan 0.000 0.219 273 P C 1.406 178.696 177.300 -0.018 0.000 1.146 273 P CA 1.504 64.593 63.100 -0.018 0.000 0.808 273 P CB 0.063 31.750 31.700 -0.023 0.000 0.779 274 R N -0.929 119.564 120.500 -0.012 0.000 2.189 274 R HA 0.026 4.366 4.340 -0.000 0.000 0.218 274 R C 1.781 178.079 176.300 -0.004 0.000 1.074 274 R CA 0.808 56.902 56.100 -0.010 0.000 0.991 274 R CB -1.279 29.017 30.300 -0.007 0.000 0.883 274 R HN 0.064 nan 8.270 nan 0.000 0.457 275 V N 1.388 121.302 119.914 -0.001 0.000 3.235 275 V HA 0.183 4.303 4.120 -0.000 0.000 0.259 275 V C 0.754 176.854 176.094 0.010 0.000 1.133 275 V CA 0.185 62.489 62.300 0.006 0.000 1.128 275 V CB -0.083 31.746 31.823 0.009 0.000 0.757 275 V HN 0.214 nan 8.190 nan 0.000 0.469 276 I N 1.321 121.892 120.570 0.002 0.000 2.505 276 I HA 0.274 4.444 4.170 -0.000 0.000 0.287 276 I C 1.383 177.505 176.117 0.008 0.000 1.104 276 I CA 0.531 61.833 61.300 0.002 0.000 1.387 276 I CB 0.614 38.606 38.000 -0.013 0.000 1.404 276 I HN 0.216 nan 8.210 nan 0.000 0.528 277 G N 5.481 114.297 108.800 0.027 0.000 3.311 277 G HA2 0.056 4.016 3.960 -0.000 0.000 0.169 277 G HA3 0.056 4.016 3.960 -0.000 0.000 0.169 277 G C -0.002 174.921 174.900 0.039 0.000 1.852 277 G CA -0.285 44.837 45.100 0.037 0.000 1.010 277 G HN 0.498 nan 8.290 nan 0.000 0.530 278 D N 0.494 120.934 120.400 0.067 0.000 2.443 278 D HA 0.293 4.933 4.640 -0.000 0.000 0.239 278 D C -0.268 176.076 176.300 0.074 0.000 1.136 278 D CA 0.649 54.695 54.000 0.077 0.000 0.879 278 D CB 1.491 42.360 40.800 0.115 0.000 1.195 278 D HN -0.024 nan 8.370 nan 0.000 0.443 279 L N 3.110 124.390 121.223 0.095 0.000 2.415 279 L HA 0.372 4.712 4.340 -0.000 0.000 0.268 279 L C -0.263 176.736 176.870 0.215 0.000 0.984 279 L CA -0.545 54.383 54.840 0.147 0.000 0.853 279 L CB 1.280 43.425 42.059 0.144 0.000 1.215 279 L HN 0.165 nan 8.230 nan 0.000 0.419 280 I N 2.748 123.375 120.570 0.096 0.000 2.352 280 I HA 0.266 4.436 4.170 -0.000 0.000 0.290 280 I C 0.969 176.953 176.117 -0.221 0.000 1.036 280 I CA -0.077 61.212 61.300 -0.018 0.000 1.336 280 I CB 1.214 39.202 38.000 -0.019 0.000 1.407 280 I HN 0.586 nan 8.210 nan 0.000 0.497 281 G N 6.237 114.643 108.800 -0.655 0.000 2.329 281 G HA2 0.452 4.412 3.960 -0.000 0.000 0.309 281 G HA3 0.452 4.412 3.960 -0.000 0.000 0.309 281 G C -0.304 174.234 174.900 -0.604 0.000 1.110 281 G CA -0.366 43.989 45.100 -1.242 0.000 0.923 281 G HN 0.396 nan 8.290 nan 0.000 0.430 282 V N 3.482 123.168 119.914 -0.379 0.000 2.415 282 V HA 0.129 4.249 4.120 -0.000 0.000 0.267 282 V C 0.178 176.152 176.094 -0.201 0.000 1.042 282 V CA -0.313 61.853 62.300 -0.223 0.000 1.000 282 V CB 0.784 32.515 31.823 -0.153 0.000 1.015 282 V HN 0.452 nan 8.190 nan 0.000 0.478 283 V N 5.576 125.395 119.914 -0.158 0.000 2.334 283 V HA 0.355 4.475 4.120 -0.000 0.000 0.281 283 V C 0.292 176.353 176.094 -0.056 0.000 1.016 283 V CA -0.936 61.300 62.300 -0.107 0.000 0.832 283 V CB 1.324 33.089 31.823 -0.097 0.000 0.999 283 V HN 0.846 nan 8.190 nan 0.000 0.439 284 K N 3.058 123.416 120.400 -0.070 0.000 2.258 284 K HA 0.445 4.765 4.320 -0.000 0.000 0.264 284 K C 1.370 177.955 176.600 -0.025 0.000 1.007 284 K CA 0.268 56.487 56.287 -0.113 0.000 0.941 284 K CB 1.341 33.677 32.500 -0.274 0.000 0.966 284 K HN 0.733 nan 8.250 nan 0.000 0.480 285 A N 3.380 126.232 122.820 0.053 0.000 2.019 285 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 285 A C -0.044 177.793 177.584 0.423 0.000 1.164 285 A CA 1.231 53.467 52.037 0.331 0.000 0.644 285 A CB -0.560 18.724 19.000 0.473 0.000 0.805 285 A HN 0.695 nan 8.150 nan 0.000 0.449 286 Y N -2.844 117.595 120.300 0.232 0.000 2.562 286 Y HA 0.610 5.160 4.550 -0.000 0.000 0.345 286 Y C -0.063 175.966 175.900 0.214 0.000 1.045 286 Y CA -1.269 56.971 58.100 0.234 0.000 1.028 286 Y CB 0.248 38.787 38.460 0.133 0.000 1.297 286 Y HN 0.025 nan 8.280 nan 0.000 0.463 287 T N -0.598 114.155 114.554 0.331 0.000 2.909 287 T HA 0.644 4.994 4.350 -0.000 0.000 0.289 287 T C -0.223 174.695 174.700 0.364 0.000 1.005 287 T CA -0.102 62.182 62.100 0.307 0.000 1.084 287 T CB 1.139 70.265 68.868 0.430 0.000 0.975 287 T HN 1.179 nan 8.240 nan 0.000 0.509 288 T N 0.292 114.979 114.554 0.222 0.000 3.031 288 T HA 0.493 4.843 4.350 -0.000 0.000 0.305 288 T C -0.707 174.035 174.700 0.069 0.000 0.985 288 T CA -0.965 61.261 62.100 0.210 0.000 1.008 288 T CB 1.100 70.044 68.868 0.128 0.000 1.005 288 T HN 0.785 nan 8.240 nan 0.000 0.444 289 R N 2.486 122.983 120.500 -0.005 0.000 2.295 289 R HA 0.595 4.935 4.340 -0.000 0.000 0.324 289 R C -0.790 175.489 176.300 -0.035 0.000 0.968 289 R CA -0.744 55.214 56.100 -0.237 0.000 0.837 289 R CB 1.670 31.445 30.300 -0.875 0.000 1.133 289 R HN 0.634 nan 8.270 nan 0.000 0.450 290 V N 5.751 125.664 119.914 -0.001 0.000 2.368 290 V HA 0.661 4.781 4.120 -0.000 0.000 0.266 290 V C 0.099 176.206 176.094 0.023 0.000 1.045 290 V CA 1.154 63.471 62.300 0.030 0.000 0.899 290 V CB 0.344 32.199 31.823 0.053 0.000 1.006 290 V HN 1.047 nan 8.190 nan 0.000 0.470 291 G N 4.675 113.484 108.800 0.016 0.000 2.592 291 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.684 291 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.684 291 G C -0.275 174.593 174.900 -0.054 0.000 1.291 291 G CA -0.396 44.710 45.100 0.011 0.000 0.891 291 G HN 1.850 nan 8.290 nan 0.000 0.544 292 S N -0.492 115.162 115.700 -0.076 0.000 2.584 292 S HA 0.829 5.299 4.470 -0.000 0.000 0.270 292 S C 0.874 175.136 174.600 -0.564 0.000 1.346 292 S CA 1.001 59.059 58.200 -0.236 0.000 1.018 292 S CB 1.604 64.696 63.200 -0.179 0.000 0.899 292 S HN 2.745 nan 8.310 nan 0.000 0.542 293 G N 0.402 108.734 108.800 -0.780 0.000 2.361 293 G HA2 0.371 4.331 3.960 -0.000 0.000 0.305 293 G HA3 0.371 4.331 3.960 -0.000 0.000 0.305 293 G C -3.707 170.912 174.900 -0.469 0.000 1.367 293 G CA -1.150 43.339 45.100 -1.017 0.000 0.951 293 G HN 0.621 nan 8.290 nan 0.000 0.615 294 P HA 0.521 nan 4.420 nan 0.000 0.271 294 P C -1.067 176.145 177.300 -0.146 0.000 1.220 294 P CA 0.059 63.093 63.100 -0.110 0.000 0.768 294 P CB 0.394 32.106 31.700 0.020 0.000 0.848 295 F N 6.034 125.863 119.950 -0.203 0.000 3.090 295 F HA 0.337 4.864 4.527 -0.000 0.000 0.381 295 F C -2.172 173.570 175.800 -0.096 0.000 1.231 295 F CA -2.864 54.998 58.000 -0.229 0.000 1.177 295 F CB 1.059 39.902 39.000 -0.262 0.000 1.598 295 F HN 0.214 nan 8.300 nan 0.000 0.589 296 P HA -0.117 nan 4.420 nan 0.000 0.211 296 P C 1.415 178.881 177.300 0.278 0.000 1.179 296 P CA 2.003 65.232 63.100 0.214 0.000 0.910 296 P CB 0.061 31.904 31.700 0.238 0.000 0.785 297 T N -2.939 111.882 114.554 0.446 0.000 3.284 297 T HA 0.006 4.356 4.350 -0.000 0.000 0.252 297 T C 0.568 175.277 174.700 0.015 0.000 1.144 297 T CA -0.155 62.220 62.100 0.458 0.000 1.021 297 T CB -1.002 68.245 68.868 0.632 0.000 0.984 297 T HN 0.158 nan 8.240 nan 0.000 0.545 298 E N 1.253 121.221 120.200 -0.386 0.000 2.480 298 E HA 0.142 4.492 4.350 -0.000 0.000 0.258 298 E C -0.724 175.578 176.600 -0.495 0.000 0.984 298 E CA -0.154 55.675 56.400 -0.950 0.000 0.930 298 E CB 0.259 29.392 29.700 -0.945 0.000 0.936 298 E HN 0.481 nan 8.360 nan 0.000 0.466 299 L N 6.431 127.326 121.223 -0.546 0.000 2.277 299 L HA 0.139 4.479 4.340 -0.000 0.000 0.284 299 L C 0.301 176.975 176.870 -0.327 0.000 1.028 299 L CA -0.511 54.080 54.840 -0.414 0.000 0.835 299 L CB 0.829 42.560 42.059 -0.547 0.000 1.215 299 L HN 0.671 nan 8.230 nan 0.000 0.425 300 L N 2.535 123.618 121.223 -0.235 0.000 2.477 300 L HA 0.243 4.583 4.340 -0.000 0.000 0.220 300 L C 1.473 178.255 176.870 -0.146 0.000 1.106 300 L CA 0.289 55.023 54.840 -0.177 0.000 0.851 300 L CB -0.471 41.508 42.059 -0.133 0.000 0.994 300 L HN 0.567 nan 8.230 nan 0.000 0.462 301 G N -1.227 107.482 108.800 -0.152 0.000 2.563 301 G HA2 0.134 4.094 3.960 -0.000 0.000 0.283 301 G HA3 0.134 4.094 3.960 -0.000 0.000 0.283 301 G C 0.682 175.497 174.900 -0.142 0.000 1.309 301 G CA -0.362 44.663 45.100 -0.124 0.000 1.022 301 G HN -0.011 nan 8.290 nan 0.000 0.501 302 E N -0.056 120.076 120.200 -0.114 0.000 2.147 302 E HA -0.173 4.177 4.350 -0.000 0.000 0.199 302 E C 2.289 178.793 176.600 -0.159 0.000 1.005 302 E CA 1.478 57.809 56.400 -0.115 0.000 0.810 302 E CB -0.105 29.543 29.700 -0.086 0.000 0.736 302 E HN 0.708 nan 8.360 nan 0.000 0.460 303 E N -0.419 119.669 120.200 -0.186 0.000 2.118 303 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 303 E C 2.109 178.485 176.600 -0.373 0.000 0.992 303 E CA 1.097 57.338 56.400 -0.266 0.000 0.804 303 E CB -0.266 29.265 29.700 -0.281 0.000 0.741 303 E HN 0.330 nan 8.360 nan 0.000 0.458 304 G N 1.111 109.701 108.800 -0.349 0.000 2.394 304 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.215 304 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.215 304 G C 1.198 175.934 174.900 -0.273 0.000 1.165 304 G CA 0.659 45.544 45.100 -0.358 0.000 0.784 304 G HN 0.128 nan 8.290 nan 0.000 0.535 305 D N 0.441 120.720 120.400 -0.201 0.000 2.144 305 D HA -0.103 4.537 4.640 -0.000 0.000 0.199 305 D C 2.733 178.945 176.300 -0.146 0.000 0.984 305 D CA 0.912 54.829 54.000 -0.139 0.000 0.834 305 D CB 0.020 40.765 40.800 -0.093 0.000 0.955 305 D HN 0.201 nan 8.370 nan 0.000 0.465 306 V N 1.528 121.333 119.914 -0.182 0.000 2.295 306 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 306 V C 2.671 178.623 176.094 -0.237 0.000 1.049 306 V CA 1.136 63.327 62.300 -0.182 0.000 1.024 306 V CB -0.472 31.235 31.823 -0.193 0.000 0.648 306 V HN 0.169 nan 8.190 nan 0.000 0.447 307 L N -0.414 120.602 121.223 -0.344 0.000 1.976 307 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 307 L C 2.760 179.412 176.870 -0.364 0.000 1.071 307 L CA 2.098 56.643 54.840 -0.493 0.000 0.746 307 L CB -0.699 40.943 42.059 -0.696 0.000 0.890 307 L HN 0.242 nan 8.230 nan 0.000 0.432 308 R N 0.631 120.954 120.500 -0.296 0.000 2.113 308 R HA -0.247 4.093 4.340 -0.000 0.000 0.244 308 R C 2.316 178.469 176.300 -0.244 0.000 1.142 308 R CA 2.025 57.947 56.100 -0.296 0.000 0.953 308 R CB -0.097 30.023 30.300 -0.299 0.000 0.860 308 R HN 0.307 nan 8.270 nan 0.000 0.438 309 K N -0.557 119.794 120.400 -0.081 0.000 2.057 309 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 309 K C 2.142 178.765 176.600 0.037 0.000 1.050 309 K CA 1.215 57.550 56.287 0.080 0.000 0.935 309 K CB -0.115 32.428 32.500 0.072 0.000 0.715 309 K HN 0.251 nan 8.250 nan 0.000 0.439 310 A N 1.047 123.839 122.820 -0.047 0.000 1.902 310 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 310 A C 2.316 179.897 177.584 -0.005 0.000 1.181 310 A CA 1.893 53.904 52.037 -0.043 0.000 0.623 310 A CB -0.916 18.021 19.000 -0.105 0.000 0.818 310 A HN 0.431 nan 8.150 nan 0.000 0.443 311 G N -2.350 106.439 108.800 -0.019 0.000 2.623 311 G HA2 0.241 4.201 3.960 -0.000 0.000 0.214 311 G HA3 0.241 4.201 3.960 -0.000 0.000 0.214 311 G C 0.707 175.650 174.900 0.070 0.000 1.138 311 G CA 0.486 45.638 45.100 0.087 0.000 0.794 311 G HN 0.457 nan 8.290 nan 0.000 0.535 312 M N 0.459 120.079 119.600 0.034 0.000 2.503 312 M HA -0.111 4.369 4.480 -0.000 0.000 0.208 312 M C -0.775 175.497 176.300 -0.046 0.000 0.434 312 M CA 0.215 55.585 55.300 0.116 0.000 0.551 312 M CB -1.288 31.421 32.600 0.181 0.000 2.025 312 M HN 0.056 nan 8.290 nan 0.000 0.827 313 E N 1.172 121.149 120.200 -0.373 0.000 1.858 313 E HA 0.383 4.733 4.350 -0.000 0.000 0.278 313 E C -0.607 175.545 176.600 -0.747 0.000 1.172 313 E CA 0.772 56.932 56.400 -0.400 0.000 1.127 313 E CB -0.413 29.119 29.700 -0.281 0.000 1.084 313 E HN 0.369 nan 8.360 nan 0.000 0.455 314 F N -0.939 119.043 119.950 0.053 0.000 2.601 314 F HA 0.383 4.910 4.527 -0.000 0.000 0.309 314 F C 1.128 176.957 175.800 0.048 0.000 1.089 314 F CA -1.375 56.650 58.000 0.043 0.000 0.940 314 F CB 1.416 40.435 39.000 0.032 0.000 1.273 314 F HN 0.154 nan 8.300 nan 0.000 0.450 315 G N 0.494 109.433 108.800 0.232 0.000 2.265 315 G HA2 0.274 4.234 3.960 -0.000 0.000 0.240 315 G HA3 0.274 4.234 3.960 -0.000 0.000 0.240 315 G C 0.943 175.930 174.900 0.145 0.000 1.270 315 G CA 0.178 45.370 45.100 0.153 0.000 0.901 315 G HN 0.874 nan 8.290 nan 0.000 0.507 316 T N 0.132 114.759 114.554 0.122 0.000 2.881 316 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 316 T C 1.930 176.686 174.700 0.094 0.000 1.068 316 T CA 1.937 64.103 62.100 0.110 0.000 1.131 316 T CB -0.073 68.858 68.868 0.105 0.000 0.871 316 T HN 0.395 nan 8.240 nan 0.000 0.479 317 T N 1.646 116.254 114.554 0.091 0.000 3.085 317 T HA 0.067 4.417 4.350 -0.000 0.000 0.241 317 T C 2.269 177.007 174.700 0.064 0.000 0.988 317 T CA 0.951 63.094 62.100 0.073 0.000 1.117 317 T CB -0.227 68.683 68.868 0.071 0.000 0.978 317 T HN 0.641 nan 8.240 nan 0.000 0.454 318 T N -0.092 114.506 114.554 0.074 0.000 3.067 318 T HA 0.303 4.653 4.350 -0.000 0.000 0.261 318 T C 2.015 176.758 174.700 0.072 0.000 1.110 318 T CA 0.775 62.916 62.100 0.068 0.000 1.113 318 T CB -0.488 68.425 68.868 0.075 0.000 0.917 318 T HN 0.533 nan 8.240 nan 0.000 0.499 319 G N 2.204 111.061 108.800 0.095 0.000 2.186 319 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.266 319 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.266 319 G C 0.213 175.212 174.900 0.164 0.000 0.982 319 G CA 0.189 45.347 45.100 0.097 0.000 0.670 319 G HN 0.641 nan 8.290 nan 0.000 0.533 320 R N 1.276 121.880 120.500 0.173 0.000 2.438 320 R HA 0.346 4.686 4.340 -0.000 0.000 0.287 320 R C -2.124 174.344 176.300 0.281 0.000 1.077 320 R CA -1.282 54.932 56.100 0.191 0.000 1.034 320 R CB 0.602 30.973 30.300 0.120 0.000 0.993 320 R HN 0.187 nan 8.270 nan 0.000 0.459 321 P HA 0.016 nan 4.420 nan 0.000 0.271 321 P C -0.793 176.509 177.300 0.004 0.000 1.226 321 P CA 0.175 63.367 63.100 0.154 0.000 0.765 321 P CB 0.661 32.488 31.700 0.211 0.000 0.835 322 R N 3.495 123.939 120.500 -0.094 0.000 2.390 322 R HA 0.278 4.618 4.340 -0.000 0.000 0.291 322 R C 0.866 177.152 176.300 -0.024 0.000 1.070 322 R CA -0.644 55.439 56.100 -0.028 0.000 1.014 322 R CB 0.792 31.081 30.300 -0.018 0.000 1.007 322 R HN 0.457 nan 8.270 nan 0.000 0.466 323 R N 1.350 121.874 120.500 0.040 0.000 2.623 323 R HA 0.115 4.455 4.340 -0.000 0.000 0.271 323 R C -0.237 176.122 176.300 0.099 0.000 1.043 323 R CA -0.039 56.081 56.100 0.034 0.000 1.083 323 R CB 0.287 30.656 30.300 0.114 0.000 0.974 323 R HN 0.552 nan 8.270 nan 0.000 0.436 324 C N 0.392 119.618 119.300 -0.124 0.000 2.822 324 C HA 0.936 5.396 4.460 -0.000 0.000 0.341 324 C C 0.638 175.399 174.990 -0.382 0.000 1.301 324 C CA -0.369 58.600 59.018 -0.082 0.000 1.706 324 C CB 1.943 29.612 27.740 -0.119 0.000 2.178 324 C HN 1.004 nan 8.230 nan 0.000 0.481 325 G N -0.923 107.788 108.800 -0.148 0.000 2.430 325 G HA2 0.486 4.446 3.960 -0.000 0.000 0.300 325 G HA3 0.486 4.446 3.960 -0.000 0.000 0.300 325 G C -2.030 172.876 174.900 0.010 0.000 1.330 325 G CA -0.758 44.186 45.100 -0.260 0.000 0.813 325 G HN 0.700 nan 8.290 nan 0.000 0.487 326 W N -0.570 120.849 121.300 0.199 0.000 2.161 326 W HA 0.531 5.191 4.660 -0.000 0.000 0.344 326 W C 0.676 177.413 176.519 0.364 0.000 1.262 326 W CA -0.665 56.837 57.345 0.262 0.000 1.270 326 W CB 0.863 30.459 29.460 0.226 0.000 1.126 326 W HN 0.414 nan 8.180 nan 0.000 0.598 327 L N 3.217 124.827 121.223 0.645 0.000 2.513 327 L HA 0.028 4.368 4.340 -0.000 0.000 0.272 327 L C -0.059 177.069 176.870 0.429 0.000 1.187 327 L CA 0.516 55.636 54.840 0.467 0.000 0.895 327 L CB -0.181 42.113 42.059 0.392 0.000 1.147 327 L HN 0.254 nan 8.230 nan 0.000 0.483 328 D N 5.283 125.919 120.400 0.394 0.000 2.396 328 D HA 0.143 4.783 4.640 -0.000 0.000 0.225 328 D C 1.177 177.603 176.300 0.210 0.000 1.121 328 D CA -0.039 54.175 54.000 0.357 0.000 0.853 328 D CB 0.654 41.737 40.800 0.471 0.000 1.043 328 D HN 0.650 nan 8.370 nan 0.000 0.500 329 I N 2.809 123.468 120.570 0.149 0.000 2.617 329 I HA -0.180 3.990 4.170 -0.000 0.000 0.256 329 I C 2.202 178.331 176.117 0.019 0.000 1.167 329 I CA 0.226 61.567 61.300 0.069 0.000 1.469 329 I CB 0.250 38.281 38.000 0.051 0.000 1.098 329 I HN 0.280 nan 8.210 nan 0.000 0.436 330 V N 1.423 121.322 119.914 -0.025 0.000 2.233 330 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 330 V C 2.809 178.878 176.094 -0.041 0.000 1.050 330 V CA 2.218 64.440 62.300 -0.131 0.000 1.010 330 V CB -1.147 30.338 31.823 -0.564 0.000 0.637 330 V HN 0.492 nan 8.190 nan 0.000 0.444 331 A N -0.269 122.543 122.820 -0.014 0.000 1.902 331 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 331 A C 2.176 179.672 177.584 -0.147 0.000 1.181 331 A CA 2.126 53.999 52.037 -0.273 0.000 0.623 331 A CB -0.609 18.280 19.000 -0.184 0.000 0.818 331 A HN 0.457 nan 8.150 nan 0.000 0.443 332 L N -0.032 121.164 121.223 -0.045 0.000 2.017 332 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 332 L C 2.302 179.169 176.870 -0.006 0.000 1.073 332 L CA 2.697 57.523 54.840 -0.025 0.000 0.745 332 L CB -0.580 41.482 42.059 0.005 0.000 0.894 332 L HN 0.452 nan 8.230 nan 0.000 0.432 333 K N -1.686 118.715 120.400 0.002 0.000 2.032 333 K HA -0.287 4.033 4.320 -0.000 0.000 0.209 333 K C 2.332 178.926 176.600 -0.011 0.000 1.048 333 K CA 1.986 58.273 56.287 0.001 0.000 0.927 333 K CB -0.546 31.958 32.500 0.005 0.000 0.712 333 K HN 0.485 nan 8.250 nan 0.000 0.441 334 Y N 0.695 120.908 120.300 -0.145 0.000 2.165 334 Y HA -0.327 4.223 4.550 0.000 0.000 0.286 334 Y C 2.402 178.158 175.900 -0.239 0.000 1.155 334 Y CA 1.819 59.809 58.100 -0.182 0.000 1.164 334 Y CB -0.787 37.535 38.460 -0.231 0.000 0.978 334 Y HN 0.303 nan 8.280 nan 0.000 0.513 335 C N -0.197 118.939 119.300 -0.274 0.000 2.440 335 C HA -0.160 4.300 4.460 -0.000 0.000 0.278 335 C C 2.875 177.685 174.990 -0.300 0.000 1.295 335 C CA 1.277 60.082 59.018 -0.356 0.000 1.738 335 C CB -1.906 25.756 27.740 -0.129 0.000 1.987 335 C HN 0.833 nan 8.230 nan 0.000 0.492 336 C N 0.922 120.158 119.300 -0.107 0.000 2.413 336 C HA -0.096 4.364 4.460 -0.000 0.000 0.276 336 C C 2.322 177.114 174.990 -0.330 0.000 1.248 336 C CA 1.558 60.529 59.018 -0.078 0.000 1.742 336 C CB -1.276 26.500 27.740 0.060 0.000 2.017 336 C HN 0.636 nan 8.230 nan 0.000 0.481 337 D N 0.829 121.044 120.400 -0.308 0.000 2.084 337 D HA -0.084 4.556 4.640 -0.000 0.000 0.194 337 D C 1.950 177.985 176.300 -0.442 0.000 0.990 337 D CA 1.169 54.977 54.000 -0.319 0.000 0.826 337 D CB -0.478 40.166 40.800 -0.260 0.000 0.971 337 D HN 0.449 nan 8.370 nan 0.000 0.453 338 I N 1.306 121.516 120.570 -0.601 0.000 2.194 338 I HA -0.285 3.885 4.170 -0.000 0.000 0.246 338 I C 1.955 177.699 176.117 -0.622 0.000 1.093 338 I CA 1.102 61.974 61.300 -0.712 0.000 1.355 338 I CB -0.179 37.233 38.000 -0.980 0.000 1.046 338 I HN 0.045 nan 8.210 nan 0.000 0.413 339 N N 0.128 118.392 118.700 -0.727 0.000 2.439 339 N HA 0.041 4.781 4.740 -0.000 0.000 0.176 339 N C 1.151 176.263 175.510 -0.664 0.000 1.029 339 N CA 1.058 53.640 53.050 -0.780 0.000 0.886 339 N CB 0.444 38.163 38.487 -1.280 0.000 1.057 339 N HN 0.386 nan 8.380 nan 0.000 0.437 340 G N 1.835 110.241 108.800 -0.656 0.000 2.401 340 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.283 340 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.283 340 G C -0.561 174.170 174.900 -0.282 0.000 1.117 340 G CA -0.448 44.430 45.100 -0.370 0.000 1.051 340 G HN 0.122 nan 8.290 nan 0.000 0.510 341 F N 0.969 120.851 119.950 -0.114 0.000 2.529 341 F HA 0.364 4.891 4.527 -0.000 0.000 0.365 341 F C 1.932 177.675 175.800 -0.094 0.000 1.102 341 F CA 0.055 57.995 58.000 -0.100 0.000 1.271 341 F CB 1.175 40.112 39.000 -0.106 0.000 1.120 341 F HN 0.330 nan 8.300 nan 0.000 0.579 342 S N 0.613 116.386 115.700 0.122 0.000 2.377 342 S HA 0.037 4.507 4.470 -0.000 0.000 0.223 342 S C 0.740 175.294 174.600 -0.077 0.000 1.030 342 S CA 0.688 58.900 58.200 0.021 0.000 0.970 342 S CB -0.331 62.889 63.200 0.032 0.000 0.830 342 S HN 0.657 nan 8.310 nan 0.000 0.473 343 S N -0.089 115.547 115.700 -0.107 0.000 2.998 343 S HA 0.824 5.294 4.470 -0.000 0.000 0.321 343 S C -1.194 173.294 174.600 -0.187 0.000 1.171 343 S CA -1.049 56.966 58.200 -0.309 0.000 0.882 343 S CB 0.936 63.720 63.200 -0.694 0.000 1.301 343 S HN 0.344 nan 8.310 nan 0.000 0.629 344 L N 0.589 121.704 121.223 -0.179 0.000 2.469 344 L HA 0.560 4.900 4.340 -0.000 0.000 0.256 344 L C -1.126 175.756 176.870 0.021 0.000 1.006 344 L CA -0.640 54.114 54.840 -0.144 0.000 0.832 344 L CB 2.322 44.280 42.059 -0.167 0.000 1.421 344 L HN 0.922 nan 8.230 nan 0.000 0.410 345 N N 2.114 120.815 118.700 0.001 0.000 2.569 345 N HA 0.252 4.992 4.740 -0.000 0.000 0.254 345 N C -1.347 174.168 175.510 0.009 0.000 1.004 345 N CA -0.591 52.512 53.050 0.087 0.000 0.904 345 N CB 1.256 39.754 38.487 0.018 0.000 1.165 345 N HN 0.419 nan 8.380 nan 0.000 0.513 346 L N 4.978 126.224 121.223 0.037 0.000 2.363 346 L HA 0.234 4.574 4.340 -0.000 0.000 0.286 346 L C 0.389 177.301 176.870 0.070 0.000 1.106 346 L CA 0.357 55.224 54.840 0.046 0.000 0.859 346 L CB -0.247 41.857 42.059 0.075 0.000 1.223 346 L HN 0.661 nan 8.230 nan 0.000 0.446 347 T N 1.654 116.232 114.554 0.041 0.000 2.862 347 T HA 0.315 4.665 4.350 -0.000 0.000 0.276 347 T C 0.529 175.278 174.700 0.080 0.000 0.974 347 T CA -0.810 61.316 62.100 0.044 0.000 0.966 347 T CB 0.904 69.770 68.868 -0.003 0.000 1.072 347 T HN 0.551 nan 8.240 nan 0.000 0.538 348 K N -0.017 120.439 120.400 0.095 0.000 3.177 348 K HA -0.166 4.154 4.320 -0.000 0.000 0.266 348 K C 0.520 177.270 176.600 0.250 0.000 0.937 348 K CA 0.186 56.569 56.287 0.160 0.000 0.702 348 K CB -1.301 31.294 32.500 0.158 0.000 1.365 348 K HN 0.518 nan 8.250 nan 0.000 0.466 349 L N 1.315 122.680 121.223 0.238 0.000 2.240 349 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 349 L C 2.114 179.177 176.870 0.322 0.000 1.106 349 L CA 2.081 57.113 54.840 0.319 0.000 0.793 349 L CB -0.101 42.142 42.059 0.308 0.000 0.927 349 L HN 0.392 nan 8.230 nan 0.000 0.446 350 D N -1.321 119.220 120.400 0.235 0.000 2.310 350 D HA -0.150 4.490 4.640 -0.000 0.000 0.212 350 D C 1.780 178.146 176.300 0.110 0.000 0.965 350 D CA 1.154 55.268 54.000 0.190 0.000 0.879 350 D CB -0.415 40.465 40.800 0.132 0.000 0.921 350 D HN 0.323 nan 8.370 nan 0.000 0.510 351 V N 0.855 120.838 119.914 0.115 0.000 2.871 351 V HA -0.095 4.025 4.120 -0.000 0.000 0.256 351 V C 2.550 178.564 176.094 -0.132 0.000 1.082 351 V CA 0.650 62.956 62.300 0.011 0.000 1.105 351 V CB -0.398 31.481 31.823 0.093 0.000 0.713 351 V HN 0.208 nan 8.190 nan 0.000 0.473 352 L N -0.200 120.954 121.223 -0.115 0.000 2.552 352 L HA 0.062 4.402 4.340 -0.000 0.000 0.227 352 L C 1.103 177.538 176.870 -0.725 0.000 1.146 352 L CA 0.068 54.692 54.840 -0.360 0.000 0.858 352 L CB -0.291 41.571 42.059 -0.329 0.000 0.969 352 L HN 0.241 nan 8.230 nan 0.000 0.451 353 S N -0.012 115.355 115.700 -0.555 0.000 2.560 353 S HA 0.302 4.772 4.470 -0.000 0.000 0.284 353 S C 1.221 175.546 174.600 -0.459 0.000 1.327 353 S CA 0.613 58.423 58.200 -0.651 0.000 1.055 353 S CB 1.060 64.155 63.200 -0.175 0.000 0.868 353 S HN 0.581 nan 8.310 nan 0.000 0.506 354 G N 1.752 110.288 108.800 -0.441 0.000 2.234 354 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.235 354 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.235 354 G C -0.014 174.738 174.900 -0.247 0.000 0.997 354 G CA -0.350 44.596 45.100 -0.258 0.000 0.623 354 G HN 0.587 nan 8.290 nan 0.000 0.514 355 L N 2.655 123.676 121.223 -0.337 0.000 2.313 355 L HA 0.286 4.626 4.340 -0.000 0.000 0.282 355 L C -0.098 176.665 176.870 -0.179 0.000 1.092 355 L CA -1.509 53.198 54.840 -0.221 0.000 0.831 355 L CB 1.243 43.188 42.059 -0.191 0.000 1.159 355 L HN 0.036 nan 8.230 nan 0.000 0.442 356 P HA -0.100 nan 4.420 nan 0.000 0.217 356 P C -0.089 177.186 177.300 -0.043 0.000 1.150 356 P CA 1.186 64.254 63.100 -0.053 0.000 0.832 356 P CB 0.524 32.204 31.700 -0.034 0.000 0.787 357 E N 0.048 120.219 120.200 -0.048 0.000 2.293 357 E HA 0.540 4.891 4.350 -0.000 0.000 0.270 357 E C -0.457 176.053 176.600 -0.151 0.000 0.879 357 E CA -0.820 55.528 56.400 -0.086 0.000 0.756 357 E CB 2.344 31.990 29.700 -0.090 0.000 1.208 357 E HN 0.081 nan 8.360 nan 0.000 0.428 358 I N -0.621 119.781 120.570 -0.280 0.000 2.468 358 I HA 0.490 4.660 4.170 -0.000 0.000 0.284 358 I C -0.689 175.020 176.117 -0.681 0.000 1.038 358 I CA -1.007 59.994 61.300 -0.498 0.000 1.083 358 I CB 1.162 39.020 38.000 -0.235 0.000 1.223 358 I HN 0.168 nan 8.210 nan 0.000 0.443 359 K N 6.258 125.725 120.400 -1.555 0.000 2.098 359 K HA 0.741 5.061 4.320 -0.000 0.000 0.257 359 K C -0.989 175.376 176.600 -0.392 0.000 0.999 359 K CA -0.686 54.986 56.287 -1.026 0.000 0.924 359 K CB 1.971 33.536 32.500 -1.557 0.000 1.028 359 K HN 0.569 nan 8.250 nan 0.000 0.466 360 L N 0.915 122.172 121.223 0.056 0.000 2.409 360 L HA 0.328 4.668 4.340 -0.000 0.000 0.272 360 L C 0.193 177.259 176.870 0.326 0.000 0.980 360 L CA -0.948 54.047 54.840 0.257 0.000 0.826 360 L CB 2.090 44.256 42.059 0.178 0.000 1.268 360 L HN 0.783 nan 8.230 nan 0.000 0.407 361 G N 2.236 111.245 108.800 0.349 0.000 2.389 361 G HA2 0.377 4.337 3.960 -0.000 0.000 0.287 361 G HA3 0.377 4.337 3.960 -0.000 0.000 0.287 361 G C 0.535 175.490 174.900 0.093 0.000 1.126 361 G CA -0.226 44.955 45.100 0.135 0.000 1.073 361 G HN 0.429 nan 8.290 nan 0.000 0.429 362 V N 2.402 122.336 119.914 0.034 0.000 2.627 362 V HA 0.121 4.241 4.120 -0.000 0.000 0.239 362 V C 1.481 177.582 176.094 0.012 0.000 1.077 362 V CA 0.921 63.237 62.300 0.027 0.000 1.103 362 V CB -0.143 31.699 31.823 0.031 0.000 0.802 362 V HN 0.521 nan 8.190 nan 0.000 0.482 363 S N -1.341 114.379 115.700 0.035 0.000 2.718 363 S HA 0.711 5.181 4.470 -0.000 0.000 0.300 363 S C -1.478 173.266 174.600 0.240 0.000 1.117 363 S CA -0.169 58.075 58.200 0.074 0.000 1.002 363 S CB 1.471 64.703 63.200 0.053 0.000 1.092 363 S HN 0.269 nan 8.310 nan 0.000 0.542 364 Y N 1.740 122.026 120.300 -0.022 0.000 2.329 364 Y HA 0.467 5.017 4.550 0.000 0.000 0.328 364 Y C -0.317 175.563 175.900 -0.033 0.000 0.992 364 Y CA -1.526 56.554 58.100 -0.034 0.000 1.151 364 Y CB 0.981 39.423 38.460 -0.030 0.000 1.150 364 Y HN 0.542 nan 8.280 nan 0.000 0.450 365 N N 2.257 120.977 118.700 0.033 0.000 2.456 365 N HA 0.324 5.064 4.740 -0.000 0.000 0.296 365 N C -0.228 175.257 175.510 -0.041 0.000 1.102 365 N CA -0.642 52.409 53.050 0.002 0.000 0.924 365 N CB 1.062 39.545 38.487 -0.006 0.000 1.186 365 N HN 0.475 nan 8.380 nan 0.000 0.492 366 Q N 0.709 120.495 119.800 -0.022 0.000 2.500 366 Q HA 0.082 4.422 4.340 -0.000 0.000 0.215 366 Q C 1.213 177.191 176.000 -0.038 0.000 1.062 366 Q CA -0.202 55.581 55.803 -0.033 0.000 0.996 366 Q CB 0.411 29.139 28.738 -0.015 0.000 1.239 366 Q HN 0.668 nan 8.270 nan 0.000 0.578 367 M N -0.442 119.135 119.600 -0.038 0.000 2.435 367 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 367 M C 0.587 176.875 176.300 -0.020 0.000 1.065 367 M CA 2.130 57.411 55.300 -0.032 0.000 1.076 367 M CB -0.725 31.858 32.600 -0.028 0.000 1.403 367 M HN 0.571 nan 8.290 nan 0.000 0.454 368 D N -0.796 119.595 120.400 -0.015 0.000 2.394 368 D HA 0.396 5.036 4.640 -0.000 0.000 0.226 368 D C 1.373 177.670 176.300 -0.006 0.000 0.990 368 D CA 0.565 54.560 54.000 -0.008 0.000 0.902 368 D CB -0.085 40.712 40.800 -0.005 0.000 1.038 368 D HN 0.477 nan 8.370 nan 0.000 0.499 369 G N -0.256 108.541 108.800 -0.006 0.000 2.321 369 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.219 369 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.219 369 G C -0.757 174.146 174.900 0.004 0.000 1.057 369 G CA -0.637 44.462 45.100 -0.001 0.000 0.849 369 G HN 0.070 nan 8.290 nan 0.000 0.520 370 E N 1.005 121.208 120.200 0.004 0.000 2.133 370 E HA 0.251 4.601 4.350 -0.000 0.000 0.274 370 E C 0.042 176.654 176.600 0.020 0.000 0.930 370 E CA -0.630 55.777 56.400 0.011 0.000 0.770 370 E CB 1.709 31.414 29.700 0.009 0.000 1.104 370 E HN 0.360 nan 8.360 nan 0.000 0.403 371 K N 4.209 124.625 120.400 0.026 0.000 2.416 371 K HA 0.108 4.428 4.320 -0.000 0.000 0.283 371 K C -0.250 176.378 176.600 0.046 0.000 1.037 371 K CA -0.137 56.174 56.287 0.041 0.000 0.995 371 K CB 0.383 32.904 32.500 0.036 0.000 0.938 371 K HN 0.423 nan 8.250 nan 0.000 0.475 372 L N 4.633 125.898 121.223 0.070 0.000 2.326 372 L HA 0.090 4.430 4.340 -0.000 0.000 0.278 372 L C 1.101 178.005 176.870 0.057 0.000 1.092 372 L CA -0.520 54.361 54.840 0.067 0.000 0.810 372 L CB 1.318 43.437 42.059 0.101 0.000 1.153 372 L HN 0.689 nan 8.230 nan 0.000 0.439 373 Q N 0.859 120.686 119.800 0.045 0.000 2.311 373 Q HA 0.024 4.364 4.340 -0.000 0.000 0.203 373 Q C -0.034 175.996 176.000 0.050 0.000 0.954 373 Q CA 0.400 56.227 55.803 0.040 0.000 0.885 373 Q CB 0.398 29.158 28.738 0.035 0.000 0.963 373 Q HN 0.788 nan 8.270 nan 0.000 0.471 374 S N -1.785 113.951 115.700 0.061 0.000 2.618 374 S HA 0.459 4.929 4.470 -0.000 0.000 0.277 374 S C -0.916 173.730 174.600 0.077 0.000 1.138 374 S CA -1.046 57.208 58.200 0.090 0.000 0.844 374 S CB 0.743 64.014 63.200 0.118 0.000 1.127 374 S HN 0.128 nan 8.310 nan 0.000 0.474 375 F N 2.833 122.713 119.950 -0.117 0.000 2.543 375 F HA 0.394 4.921 4.527 0.000 0.000 0.375 375 F C -2.287 173.418 175.800 -0.158 0.000 1.075 375 F CA -1.205 56.645 58.000 -0.250 0.000 1.225 375 F CB 0.060 38.630 39.000 -0.717 0.000 1.099 375 F HN 0.332 nan 8.300 nan 0.000 0.561 376 P HA 0.141 nan 4.420 nan 0.000 0.268 376 P C 0.315 177.521 177.300 -0.156 0.000 1.204 376 P CA 0.237 63.180 63.100 -0.261 0.000 0.768 376 P CB 1.084 32.621 31.700 -0.272 0.000 0.842 377 G N 2.752 111.554 108.800 0.003 0.000 2.473 377 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.212 377 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.212 377 G C 0.038 174.995 174.900 0.095 0.000 1.211 377 G CA 0.033 45.189 45.100 0.093 0.000 0.813 377 G HN 0.638 nan 8.290 nan 0.000 0.541 378 D N 1.624 122.062 120.400 0.063 0.000 2.414 378 D HA 0.028 4.668 4.640 -0.000 0.000 0.242 378 D C 1.977 178.319 176.300 0.070 0.000 1.129 378 D CA -0.326 53.721 54.000 0.078 0.000 0.885 378 D CB 1.279 42.111 40.800 0.054 0.000 1.198 378 D HN 0.380 nan 8.370 nan 0.000 0.437 379 L N -0.575 120.716 121.223 0.114 0.000 2.201 379 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 379 L C 1.175 178.081 176.870 0.060 0.000 1.105 379 L CA 1.090 55.999 54.840 0.115 0.000 0.775 379 L CB -0.615 41.566 42.059 0.204 0.000 0.913 379 L HN 0.162 nan 8.230 nan 0.000 0.440 380 D N 0.929 121.359 120.400 0.051 0.000 2.116 380 D HA -0.184 4.456 4.640 -0.000 0.000 0.193 380 D C 2.098 178.397 176.300 -0.002 0.000 0.998 380 D CA 2.333 56.349 54.000 0.027 0.000 0.836 380 D CB -0.096 40.720 40.800 0.026 0.000 0.951 380 D HN 0.347 nan 8.370 nan 0.000 0.449 381 T N -0.049 114.496 114.554 -0.014 0.000 2.896 381 T HA -0.025 4.325 4.350 -0.000 0.000 0.263 381 T C 1.721 176.370 174.700 -0.085 0.000 1.050 381 T CA 0.150 62.224 62.100 -0.044 0.000 1.140 381 T CB -0.163 68.681 68.868 -0.040 0.000 0.877 381 T HN 0.001 nan 8.240 nan 0.000 0.457 382 L N 1.597 122.766 121.223 -0.089 0.000 2.046 382 L HA 0.050 4.390 4.340 -0.000 0.000 0.208 382 L C 2.120 178.921 176.870 -0.116 0.000 1.077 382 L CA 1.765 56.522 54.840 -0.139 0.000 0.747 382 L CB -0.420 41.574 42.059 -0.109 0.000 0.896 382 L HN 0.069 nan 8.230 nan 0.000 0.432 383 E N -0.698 119.468 120.200 -0.056 0.000 2.511 383 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 383 E C 1.222 177.785 176.600 -0.061 0.000 1.066 383 E CA 0.376 56.749 56.400 -0.046 0.000 0.871 383 E CB -0.003 29.689 29.700 -0.013 0.000 0.863 383 E HN 0.578 nan 8.360 nan 0.000 0.520 384 Q N 0.174 119.925 119.800 -0.082 0.000 2.217 384 Q HA 0.199 4.539 4.340 -0.000 0.000 0.340 384 Q C -1.002 174.929 176.000 -0.115 0.000 0.893 384 Q CA -0.339 55.418 55.803 -0.077 0.000 1.142 384 Q CB 0.766 29.473 28.738 -0.050 0.000 1.288 384 Q HN 0.142 nan 8.270 nan 0.000 0.426 385 V N -2.055 117.750 119.914 -0.181 0.000 2.834 385 V HA 0.509 4.629 4.120 -0.000 0.000 0.313 385 V C -0.516 175.450 176.094 -0.214 0.000 1.060 385 V CA -0.922 61.223 62.300 -0.259 0.000 0.989 385 V CB 1.773 33.271 31.823 -0.541 0.000 1.041 385 V HN 0.299 nan 8.190 nan 0.000 0.459 386 Q N 2.093 121.783 119.800 -0.183 0.000 2.431 386 Q HA 0.520 4.860 4.340 -0.000 0.000 0.249 386 Q C -1.091 174.828 176.000 -0.136 0.000 1.025 386 Q CA -0.561 55.173 55.803 -0.114 0.000 0.835 386 Q CB 1.548 30.251 28.738 -0.059 0.000 1.207 386 Q HN 0.828 nan 8.270 nan 0.000 0.490 387 V N 3.945 123.761 119.914 -0.163 0.000 2.715 387 V HA 0.076 4.196 4.120 -0.000 0.000 0.299 387 V C -0.068 175.866 176.094 -0.267 0.000 1.054 387 V CA -0.074 62.092 62.300 -0.224 0.000 1.077 387 V CB 0.897 32.508 31.823 -0.354 0.000 0.972 387 V HN 0.789 nan 8.190 nan 0.000 0.484 388 N N 3.371 121.937 118.700 -0.224 0.000 2.558 388 N HA 0.454 5.194 4.740 -0.000 0.000 0.242 388 N C -1.036 174.365 175.510 -0.182 0.000 0.979 388 N CA -0.489 52.480 53.050 -0.135 0.000 0.931 388 N CB 0.782 39.255 38.487 -0.023 0.000 1.122 388 N HN 0.569 nan 8.380 nan 0.000 0.508 389 Y N 0.901 121.231 120.300 0.050 0.000 2.240 389 Y HA 0.232 4.782 4.550 -0.000 0.000 0.341 389 Y C 0.797 176.689 175.900 -0.013 0.000 1.326 389 Y CA -0.367 57.737 58.100 0.007 0.000 1.569 389 Y CB 0.664 39.089 38.460 -0.059 0.000 1.426 389 Y HN 0.372 nan 8.280 nan 0.000 0.587 390 E N 0.692 120.990 120.200 0.163 0.000 2.528 390 E HA 0.302 4.652 4.350 -0.000 0.000 0.277 390 E C -1.847 174.760 176.600 0.012 0.000 0.980 390 E CA -0.449 55.994 56.400 0.072 0.000 0.796 390 E CB 1.326 31.067 29.700 0.068 0.000 1.427 390 E HN 0.476 nan 8.360 nan 0.000 0.394 391 V N 6.000 125.896 119.914 -0.029 0.000 2.585 391 V HA 0.298 4.418 4.120 -0.000 0.000 0.296 391 V C -0.546 175.529 176.094 -0.032 0.000 1.035 391 V CA 0.400 62.644 62.300 -0.094 0.000 1.084 391 V CB 0.392 32.157 31.823 -0.097 0.000 0.953 391 V HN 0.618 nan 8.190 nan 0.000 0.483 392 L N 6.767 127.972 121.223 -0.030 0.000 2.341 392 L HA 0.574 4.914 4.340 -0.000 0.000 0.267 392 L C -2.467 174.426 176.870 0.038 0.000 1.009 392 L CA -2.185 52.683 54.840 0.046 0.000 0.819 392 L CB 2.395 44.542 42.059 0.148 0.000 1.323 392 L HN 0.432 nan 8.230 nan 0.000 0.425 393 P HA 0.081 nan 4.420 nan 0.000 0.267 393 P C -0.144 177.246 177.300 0.151 0.000 1.209 393 P CA 0.064 63.213 63.100 0.082 0.000 0.763 393 P CB 0.762 32.511 31.700 0.082 0.000 0.816 394 G N 2.343 111.210 108.800 0.113 0.000 2.510 394 G HA2 0.610 4.570 3.960 -0.000 0.000 0.280 394 G HA3 0.610 4.570 3.960 -0.000 0.000 0.280 394 G C -1.409 173.680 174.900 0.314 0.000 1.386 394 G CA -0.697 44.485 45.100 0.138 0.000 1.047 394 G HN 0.654 nan 8.290 nan 0.000 0.527 395 W N -1.998 119.276 121.300 -0.044 0.000 3.146 395 W HA 0.598 5.258 4.660 0.000 0.000 0.319 395 W C -1.699 174.804 176.519 -0.027 0.000 1.258 395 W CA -1.109 56.218 57.345 -0.031 0.000 1.189 395 W CB 1.198 30.640 29.460 -0.030 0.000 1.412 395 W HN 0.341 nan 8.180 nan 0.000 0.567 396 D N 2.799 123.275 120.400 0.127 0.000 2.460 396 D HA 0.306 4.946 4.640 -0.000 0.000 0.268 396 D C -1.070 175.307 176.300 0.129 0.000 1.153 396 D CA -0.145 53.869 54.000 0.023 0.000 0.929 396 D CB 1.515 42.320 40.800 0.009 0.000 1.015 396 D HN 0.330 nan 8.370 nan 0.000 0.502 397 S N 1.366 117.198 115.700 0.219 0.000 2.652 397 S HA 0.067 4.537 4.470 -0.000 0.000 0.273 397 S C -1.308 173.421 174.600 0.214 0.000 1.172 397 S CA -0.801 57.533 58.200 0.223 0.000 1.009 397 S CB 1.532 64.885 63.200 0.256 0.000 1.094 397 S HN 0.269 nan 8.310 nan 0.000 0.471 398 D N 3.789 124.259 120.400 0.116 0.000 2.368 398 D HA 0.124 4.764 4.640 -0.000 0.000 0.268 398 D C 1.329 177.694 176.300 0.108 0.000 1.298 398 D CA 0.146 54.204 54.000 0.097 0.000 0.938 398 D CB 0.238 41.071 40.800 0.054 0.000 1.101 398 D HN 0.612 nan 8.370 nan 0.000 0.509 399 I N 0.905 121.560 120.570 0.141 0.000 3.941 399 I HA 0.118 4.288 4.170 -0.000 0.000 0.335 399 I C 1.249 177.417 176.117 0.084 0.000 1.402 399 I CA -0.358 61.008 61.300 0.111 0.000 1.112 399 I CB 0.028 38.111 38.000 0.138 0.000 1.043 399 I HN 0.233 nan 8.210 nan 0.000 0.395 400 S N 0.818 116.563 115.700 0.074 0.000 2.653 400 S HA -0.055 4.415 4.470 -0.000 0.000 0.233 400 S C 1.501 176.126 174.600 0.042 0.000 0.970 400 S CA 0.780 59.013 58.200 0.055 0.000 0.947 400 S CB -0.676 62.549 63.200 0.041 0.000 0.771 400 S HN 0.707 nan 8.310 nan 0.000 0.538 401 S N -0.500 115.226 115.700 0.042 0.000 2.549 401 S HA 0.296 4.766 4.470 -0.000 0.000 0.225 401 S C 0.240 174.862 174.600 0.036 0.000 1.039 401 S CA -0.277 57.944 58.200 0.035 0.000 0.942 401 S CB -0.228 62.989 63.200 0.029 0.000 0.881 401 S HN 0.263 nan 8.310 nan 0.000 0.503 402 V N 3.935 123.870 119.914 0.036 0.000 2.450 402 V HA 0.250 4.370 4.120 -0.000 0.000 0.281 402 V C 1.161 177.284 176.094 0.048 0.000 1.019 402 V CA -0.080 62.237 62.300 0.029 0.000 1.062 402 V CB 0.246 32.075 31.823 0.009 0.000 0.979 402 V HN 0.383 nan 8.190 nan 0.000 0.477 403 R N 1.927 122.461 120.500 0.056 0.000 2.250 403 R HA 0.237 4.577 4.340 -0.000 0.000 0.194 403 R C 0.714 177.080 176.300 0.111 0.000 0.927 403 R CA 0.146 56.298 56.100 0.087 0.000 1.052 403 R CB 0.276 30.628 30.300 0.087 0.000 1.055 403 R HN 0.593 nan 8.270 nan 0.000 0.537 404 S N 0.315 116.066 115.700 0.084 0.000 2.617 404 S HA 0.174 4.644 4.470 -0.000 0.000 0.283 404 S C 0.319 174.982 174.600 0.105 0.000 1.189 404 S CA -0.597 57.664 58.200 0.102 0.000 1.036 404 S CB 1.352 64.592 63.200 0.066 0.000 1.014 404 S HN 0.180 nan 8.310 nan 0.000 0.522 405 Y N 2.798 123.109 120.300 0.019 0.000 2.200 405 Y HA -0.150 4.400 4.550 -0.000 0.000 0.290 405 Y C 2.546 178.434 175.900 -0.019 0.000 1.137 405 Y CA 2.058 60.156 58.100 -0.003 0.000 1.163 405 Y CB -0.704 37.752 38.460 -0.006 0.000 0.988 405 Y HN 0.729 nan 8.280 nan 0.000 0.518 406 S N -0.345 115.311 115.700 -0.073 0.000 2.442 406 S HA -0.200 4.270 4.470 -0.000 0.000 0.236 406 S C 1.518 176.018 174.600 -0.167 0.000 1.007 406 S CA 1.416 59.531 58.200 -0.141 0.000 0.965 406 S CB -0.535 62.650 63.200 -0.025 0.000 0.773 406 S HN 0.636 nan 8.310 nan 0.000 0.504 407 E N 0.789 120.914 120.200 -0.126 0.000 2.478 407 E HA 0.158 4.508 4.350 -0.000 0.000 0.198 407 E C 0.110 176.619 176.600 -0.151 0.000 1.046 407 E CA -0.015 56.323 56.400 -0.103 0.000 0.870 407 E CB -0.203 29.468 29.700 -0.048 0.000 0.818 407 E HN 0.560 nan 8.360 nan 0.000 0.527 408 L N 1.679 122.752 121.223 -0.250 0.000 2.453 408 L HA 0.187 4.527 4.340 -0.000 0.000 0.261 408 L C -2.047 174.636 176.870 -0.312 0.000 1.179 408 L CA -2.052 52.609 54.840 -0.298 0.000 0.813 408 L CB -0.029 41.786 42.059 -0.405 0.000 1.110 408 L HN -0.239 nan 8.230 nan 0.000 0.466 409 P HA -0.008 nan 4.420 nan 0.000 0.269 409 P C -0.030 177.072 177.300 -0.329 0.000 1.215 409 P CA -0.188 62.707 63.100 -0.341 0.000 0.780 409 P CB 0.550 31.942 31.700 -0.514 0.000 0.898 410 Q N 2.139 121.813 119.800 -0.209 0.000 2.124 410 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 410 Q C 1.710 177.624 176.000 -0.143 0.000 0.977 410 Q CA 1.877 57.589 55.803 -0.151 0.000 0.850 410 Q CB -0.465 28.223 28.738 -0.083 0.000 0.901 410 Q HN 0.545 nan 8.270 nan 0.000 0.429 411 A N 0.123 122.851 122.820 -0.153 0.000 2.014 411 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 411 A C 2.109 179.569 177.584 -0.206 0.000 1.163 411 A CA 1.292 53.282 52.037 -0.079 0.000 0.652 411 A CB -0.527 18.513 19.000 0.066 0.000 0.808 411 A HN 0.515 nan 8.150 nan 0.000 0.449 412 A N -0.071 122.383 122.820 -0.610 0.000 1.930 412 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 412 A C 2.207 179.650 177.584 -0.236 0.000 1.176 412 A CA 1.076 52.629 52.037 -0.807 0.000 0.632 412 A CB -0.336 17.878 19.000 -1.311 0.000 0.819 412 A HN 0.504 nan 8.150 nan 0.000 0.445 413 R N -0.812 119.552 120.500 -0.226 0.000 2.075 413 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 413 R C 2.365 178.697 176.300 0.054 0.000 1.126 413 R CA 1.498 57.549 56.100 -0.081 0.000 0.963 413 R CB -0.273 29.904 30.300 -0.205 0.000 0.858 413 R HN 0.426 nan 8.270 nan 0.000 0.435 414 R N 0.337 120.853 120.500 0.025 0.000 2.120 414 R HA -0.189 4.151 4.340 -0.000 0.000 0.234 414 R C 1.843 178.225 176.300 0.137 0.000 1.123 414 R CA 1.398 57.540 56.100 0.071 0.000 0.975 414 R CB -0.709 29.627 30.300 0.059 0.000 0.866 414 R HN 0.272 nan 8.270 nan 0.000 0.446 415 Y N 0.443 120.760 120.300 0.028 0.000 2.109 415 Y HA -0.178 4.372 4.550 -0.000 0.000 0.285 415 Y C 2.149 178.103 175.900 0.090 0.000 1.131 415 Y CA 2.020 60.171 58.100 0.085 0.000 1.121 415 Y CB -0.687 37.862 38.460 0.148 0.000 0.987 415 Y HN -0.001 nan 8.280 nan 0.000 0.495 416 V N -1.030 118.931 119.914 0.077 0.000 2.332 416 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 416 V C 1.839 177.911 176.094 -0.036 0.000 1.055 416 V CA 2.361 64.654 62.300 -0.011 0.000 1.038 416 V CB -0.943 30.948 31.823 0.114 0.000 0.651 416 V HN 0.495 nan 8.190 nan 0.000 0.450 417 E N 0.367 120.581 120.200 0.024 0.000 2.110 417 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 417 E C 2.361 178.951 176.600 -0.017 0.000 0.988 417 E CA 1.471 57.880 56.400 0.014 0.000 0.804 417 E CB -0.250 29.481 29.700 0.051 0.000 0.745 417 E HN 0.526 nan 8.360 nan 0.000 0.458 418 R N 1.138 121.621 120.500 -0.030 0.000 2.115 418 R HA -0.046 4.294 4.340 -0.000 0.000 0.230 418 R C 1.844 178.099 176.300 -0.076 0.000 1.111 418 R CA 0.996 57.075 56.100 -0.036 0.000 0.976 418 R CB -0.295 29.999 30.300 -0.011 0.000 0.870 418 R HN 0.181 nan 8.270 nan 0.000 0.445 419 I N 0.951 121.433 120.570 -0.146 0.000 2.162 419 I HA -0.244 3.926 4.170 -0.000 0.000 0.238 419 I C 2.091 178.159 176.117 -0.082 0.000 1.076 419 I CA 1.777 62.989 61.300 -0.147 0.000 1.353 419 I CB -0.567 37.296 38.000 -0.227 0.000 1.063 419 I HN 0.319 nan 8.210 nan 0.000 0.408 420 E N 1.202 121.358 120.200 -0.073 0.000 2.331 420 E HA -0.295 4.055 4.350 -0.000 0.000 0.199 420 E C 1.830 178.408 176.600 -0.036 0.000 1.008 420 E CA 1.385 57.754 56.400 -0.052 0.000 0.843 420 E CB -0.340 29.331 29.700 -0.048 0.000 0.761 420 E HN 0.609 nan 8.360 nan 0.000 0.507 421 E N 0.968 121.149 120.200 -0.032 0.000 2.060 421 E HA -0.057 4.293 4.350 -0.000 0.000 0.189 421 E C 2.136 178.726 176.600 -0.017 0.000 0.974 421 E CA 0.471 56.859 56.400 -0.020 0.000 0.808 421 E CB 0.060 29.752 29.700 -0.013 0.000 0.768 421 E HN 0.295 nan 8.360 nan 0.000 0.453 422 L N 0.276 121.487 121.223 -0.020 0.000 2.109 422 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 422 L C 2.474 179.336 176.870 -0.014 0.000 1.086 422 L CA 0.921 55.753 54.840 -0.013 0.000 0.760 422 L CB -0.211 41.842 42.059 -0.010 0.000 0.910 422 L HN 0.204 nan 8.230 nan 0.000 0.437 423 A N -0.797 122.011 122.820 -0.021 0.000 2.016 423 A HA 0.151 4.471 4.320 -0.000 0.000 0.217 423 A C 2.011 179.587 177.584 -0.014 0.000 1.162 423 A CA 1.235 53.262 52.037 -0.016 0.000 0.662 423 A CB -0.427 18.559 19.000 -0.023 0.000 0.812 423 A HN 0.513 nan 8.150 nan 0.000 0.450 424 G N -1.749 107.040 108.800 -0.018 0.000 2.268 424 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.240 424 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.240 424 G C 0.466 175.354 174.900 -0.021 0.000 1.010 424 G CA 0.597 45.686 45.100 -0.018 0.000 0.618 424 G HN 1.651 nan 8.290 nan 0.000 0.516 425 V N -0.344 119.557 119.914 -0.022 0.000 2.427 425 V HA 0.775 4.895 4.120 -0.000 0.000 0.286 425 V C -1.444 174.611 176.094 -0.065 0.000 1.034 425 V CA -2.243 60.036 62.300 -0.035 0.000 0.893 425 V CB 1.632 33.452 31.823 -0.005 0.000 0.982 425 V HN 0.261 nan 8.190 nan 0.000 0.452 426 P HA 0.209 nan 4.420 nan 0.000 0.272 426 P C -0.552 176.669 177.300 -0.132 0.000 1.230 426 P CA -0.097 62.956 63.100 -0.077 0.000 0.788 426 P CB 1.344 33.039 31.700 -0.009 0.000 0.949 427 V N 3.245 123.127 119.914 -0.053 0.000 2.394 427 V HA 0.141 4.261 4.120 -0.000 0.000 0.282 427 V C 0.884 177.004 176.094 0.043 0.000 1.031 427 V CA -0.033 62.235 62.300 -0.053 0.000 0.881 427 V CB 0.483 32.276 31.823 -0.050 0.000 0.982 427 V HN 0.612 nan 8.190 nan 0.000 0.451 428 H N 3.041 121.923 119.070 -0.313 0.000 2.885 428 H HA 0.340 4.896 4.556 0.000 0.000 0.260 428 H C -0.783 173.964 175.328 -0.968 0.000 0.985 428 H CA -0.144 55.508 56.048 -0.660 0.000 1.210 428 H CB 0.380 29.621 29.762 -0.869 0.000 1.466 428 H HN 0.613 nan 8.280 nan 0.000 0.493 429 Y N -0.156 120.149 120.300 0.008 0.000 2.421 429 Y HA 0.505 5.055 4.550 -0.000 0.000 0.339 429 Y C -0.626 175.227 175.900 -0.078 0.000 0.996 429 Y CA -0.923 57.107 58.100 -0.116 0.000 1.046 429 Y CB 2.176 40.556 38.460 -0.135 0.000 1.226 429 Y HN -0.211 nan 8.280 nan 0.000 0.445 430 I N 2.662 123.259 120.570 0.045 0.000 2.439 430 I HA 0.468 4.638 4.170 -0.000 0.000 0.283 430 I C 0.262 176.415 176.117 0.060 0.000 1.023 430 I CA -0.761 60.584 61.300 0.075 0.000 1.100 430 I CB 1.849 39.918 38.000 0.115 0.000 1.238 430 I HN 0.878 nan 8.210 nan 0.000 0.445 431 G N 4.680 113.520 108.800 0.067 0.000 2.355 431 G HA2 0.442 4.402 3.960 -0.000 0.000 0.276 431 G HA3 0.442 4.402 3.960 -0.000 0.000 0.276 431 G C 0.464 175.416 174.900 0.087 0.000 1.198 431 G CA -0.273 44.862 45.100 0.058 0.000 0.876 431 G HN 0.589 nan 8.290 nan 0.000 0.478 432 V N 0.363 120.323 119.914 0.077 0.000 2.991 432 V HA 0.763 4.883 4.120 -0.000 0.000 0.355 432 V C 0.525 176.660 176.094 0.068 0.000 1.384 432 V CA -0.035 62.320 62.300 0.092 0.000 1.171 432 V CB -0.146 31.732 31.823 0.092 0.000 1.190 432 V HN 1.299 nan 8.190 nan 0.000 0.540 433 G N 0.652 109.482 108.800 0.051 0.000 2.384 433 G HA2 0.439 4.399 3.960 -0.000 0.000 0.300 433 G HA3 0.439 4.399 3.960 -0.000 0.000 0.300 433 G C -2.605 172.296 174.900 0.002 0.000 1.582 433 G CA 0.112 45.224 45.100 0.020 0.000 0.875 433 G HN -0.063 nan 8.290 nan 0.000 0.628 434 P HA 0.075 nan 4.420 nan 0.000 0.223 434 P C 1.314 178.560 177.300 -0.091 0.000 1.151 434 P CA 1.056 64.127 63.100 -0.048 0.000 0.787 434 P CB 0.200 31.832 31.700 -0.113 0.000 0.788 435 G N 0.802 109.509 108.800 -0.155 0.000 2.554 435 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.238 435 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.238 435 G C 1.059 175.985 174.900 0.043 0.000 1.259 435 G CA -0.397 44.645 45.100 -0.096 0.000 0.843 435 G HN 0.102 nan 8.290 nan 0.000 0.582 436 R N 0.373 120.938 120.500 0.108 0.000 2.127 436 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 436 R C 1.698 178.066 176.300 0.112 0.000 1.134 436 R CA 2.003 58.183 56.100 0.133 0.000 0.975 436 R CB -0.165 30.232 30.300 0.161 0.000 0.865 436 R HN 0.686 nan 8.270 nan 0.000 0.447 437 D N -0.244 120.211 120.400 0.093 0.000 2.234 437 D HA 0.004 4.644 4.640 -0.000 0.000 0.205 437 D C 0.340 176.690 176.300 0.084 0.000 0.962 437 D CA 0.717 54.774 54.000 0.095 0.000 0.855 437 D CB 0.124 40.970 40.800 0.077 0.000 0.951 437 D HN 0.314 nan 8.370 nan 0.000 0.500 438 A N 0.542 123.396 122.820 0.056 0.000 3.004 438 A HA 0.366 4.686 4.320 -0.000 0.000 0.252 438 A C -0.372 177.237 177.584 0.040 0.000 1.802 438 A CA -0.008 52.056 52.037 0.046 0.000 1.424 438 A CB -0.823 18.192 19.000 0.025 0.000 1.005 438 A HN 0.304 nan 8.150 nan 0.000 0.631 439 L N 0.762 122.008 121.223 0.039 0.000 2.436 439 L HA 0.618 4.958 4.340 -0.000 0.000 0.268 439 L C -0.827 175.994 176.870 -0.080 0.000 0.974 439 L CA -0.362 54.454 54.840 -0.040 0.000 0.826 439 L CB 1.706 43.703 42.059 -0.103 0.000 1.291 439 L HN 0.354 nan 8.230 nan 0.000 0.406 440 I N 4.640 125.160 120.570 -0.084 0.000 2.392 440 I HA 0.313 4.483 4.170 -0.000 0.000 0.295 440 I C -1.048 174.975 176.117 -0.157 0.000 0.985 440 I CA -0.578 60.719 61.300 -0.005 0.000 1.221 440 I CB 1.161 39.226 38.000 0.108 0.000 1.366 440 I HN 0.500 nan 8.210 nan 0.000 0.467 441 Y N 5.727 126.061 120.300 0.056 0.000 2.328 441 Y HA 0.431 4.981 4.550 0.000 0.000 0.337 441 Y C 0.266 176.075 175.900 -0.151 0.000 1.008 441 Y CA -0.403 57.663 58.100 -0.056 0.000 1.129 441 Y CB 1.294 39.732 38.460 -0.037 0.000 1.185 441 Y HN 0.473 nan 8.280 nan 0.000 0.476 442 K N 0.000 120.283 120.400 -0.195 0.000 2.780 442 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 442 K CA 0.000 56.061 56.287 -0.377 0.000 0.838 442 K CB 0.000 32.174 32.500 -0.543 0.000 1.064 442 K HN 0.000 nan 8.250 nan 0.000 0.543