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 3o4g_1_C DATA FIRST_RESID 6 DATA SEQUENCE PVEFSRIVRD VERLIAVEKY SLQGVVDGDK LLVVGFSEGS VNAYLYDGGE DATA SEQUENCE TVKLNREPIN SVLDPHYGVG RVILVRDVSK GAEQHALFKV NTSRPGEEQR DATA SEQUENCE LEAVKPMRIL SGVDTGEAVV FTGATEDRVA LYALDGGGLR ELARLPGFGF DATA SEQUENCE VSDIRGDLIA GLGFFGGGRV SLFTSNLSSG GLRVFDSGEG SFSSASISPG DATA SEQUENCE MKVTAGLETA REARLVTVDP RDGSVEDLEL PSKDFSSYRP TAITWLGYLP DATA SEQUENCE DGRLAVVARR EGRSAVFIDG ERVEAPQGNH GRVVLWRGKL VTSHTSLSTP DATA SEQUENCE PRIVSLPSGE PLLEGGLPED LRRSIAGSRL VWVESFDGSR VPTYVLESGR DATA SEQUENCE APTPGPTVVL VHGGPFAEDS DSWDTFAASL AAAGFHVVMP NYRGSTGYGE DATA SEQUENCE EWRLKIIGDP CGGELEDVSA AARWARESGL ASELYIMGYS YGGYMTLCAL DATA SEQUENCE TMKPGLFKAG VAGASVVDWE EMYELSDAAF RNFIEQLTGG SREIMRSRSP DATA SEQUENCE INHVDRIKEP LALIHPQNDS RTPLKPLLRL MGELLARGKT FEAHIIPDAG DATA SEQUENCE HAINTMEDAV KILLPAVFFL ATQRER 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.201 177.300 -0.165 0.000 1.155 6 P CA 0.000 63.053 63.100 -0.079 0.000 0.800 6 P CB 0.000 31.683 31.700 -0.029 0.000 0.726 7 V N 0.757 120.500 119.914 -0.286 0.000 2.617 7 V HA 0.340 4.461 4.120 0.001 0.000 0.304 7 V C 0.622 176.332 176.094 -0.640 0.000 1.040 7 V CA 0.518 62.465 62.300 -0.589 0.000 1.149 7 V CB 0.331 31.520 31.823 -1.056 0.000 0.914 7 V HN 0.604 nan 8.190 nan 0.000 0.487 8 E N 4.572 124.498 120.200 -0.455 0.000 2.069 8 E HA 0.399 4.750 4.350 0.001 0.000 0.254 8 E C 0.198 176.687 176.600 -0.186 0.000 1.088 8 E CA -0.368 55.895 56.400 -0.228 0.000 1.017 8 E CB -0.166 29.463 29.700 -0.119 0.000 1.226 8 E HN 0.580 nan 8.360 nan 0.000 0.458 9 F N 0.976 120.860 119.950 -0.111 0.000 2.102 9 F HA -0.212 4.316 4.527 0.000 0.000 0.298 9 F C 2.394 178.235 175.800 0.067 0.000 1.105 9 F CA 1.630 59.542 58.000 -0.147 0.000 1.239 9 F CB -0.556 38.244 39.000 -0.334 0.000 0.991 9 F HN 0.442 nan 8.300 nan 0.000 0.474 10 S N 0.200 116.042 115.700 0.236 0.000 2.419 10 S HA -0.160 4.310 4.470 0.001 0.000 0.233 10 S C 2.248 176.929 174.600 0.134 0.000 1.016 10 S CA 1.034 59.340 58.200 0.178 0.000 0.974 10 S CB -1.118 62.153 63.200 0.119 0.000 0.786 10 S HN 0.418 nan 8.310 nan 0.000 0.492 11 R N 1.713 122.271 120.500 0.098 0.000 2.057 11 R HA 0.293 4.634 4.340 0.001 0.000 0.229 11 R C 2.257 178.613 176.300 0.093 0.000 1.136 11 R CA 1.437 57.578 56.100 0.068 0.000 0.952 11 R CB -1.662 28.655 30.300 0.028 0.000 0.848 11 R HN 0.585 nan 8.270 nan 0.000 0.430 12 I N 1.119 121.763 120.570 0.123 0.000 2.151 12 I HA -0.302 3.868 4.170 0.001 0.000 0.243 12 I C 2.453 178.680 176.117 0.182 0.000 1.080 12 I CA 1.826 63.229 61.300 0.172 0.000 1.339 12 I CB -0.355 37.813 38.000 0.281 0.000 1.039 12 I HN 0.199 nan 8.210 nan 0.000 0.409 13 V N 0.616 120.675 119.914 0.241 0.000 2.261 13 V HA -0.306 3.814 4.120 0.001 0.000 0.246 13 V C 2.572 178.713 176.094 0.079 0.000 1.047 13 V CA 2.232 64.619 62.300 0.146 0.000 1.015 13 V CB -0.926 31.007 31.823 0.184 0.000 0.642 13 V HN 0.413 nan 8.190 nan 0.000 0.446 14 R N 0.291 120.842 120.500 0.085 0.000 2.091 14 R HA -0.190 4.151 4.340 0.001 0.000 0.238 14 R C 1.988 178.315 176.300 0.045 0.000 1.136 14 R CA 2.085 58.218 56.100 0.055 0.000 0.959 14 R CB -0.394 29.938 30.300 0.053 0.000 0.856 14 R HN 0.539 nan 8.270 nan 0.000 0.437 15 D N -0.442 119.989 120.400 0.053 0.000 2.097 15 D HA -0.115 4.525 4.640 0.001 0.000 0.197 15 D C 1.931 178.252 176.300 0.036 0.000 0.984 15 D CA 1.251 55.279 54.000 0.047 0.000 0.826 15 D CB -0.243 40.590 40.800 0.054 0.000 0.973 15 D HN 0.081 nan 8.370 nan 0.000 0.460 16 V N 1.198 121.128 119.914 0.028 0.000 2.343 16 V HA -0.227 3.893 4.120 0.001 0.000 0.247 16 V C 2.333 178.412 176.094 -0.025 0.000 1.051 16 V CA 1.610 63.904 62.300 -0.010 0.000 1.036 16 V CB -0.416 31.385 31.823 -0.037 0.000 0.654 16 V HN 0.202 nan 8.190 nan 0.000 0.451 17 E N -0.144 120.050 120.200 -0.011 0.000 2.070 17 E HA -0.283 4.068 4.350 0.001 0.000 0.197 17 E C 2.443 179.044 176.600 0.001 0.000 1.004 17 E CA 1.658 58.054 56.400 -0.007 0.000 0.805 17 E CB -0.151 29.554 29.700 0.008 0.000 0.744 17 E HN 0.512 nan 8.360 nan 0.000 0.451 18 R N 0.039 120.547 120.500 0.013 0.000 2.148 18 R HA -0.009 4.331 4.340 0.001 0.000 0.223 18 R C 2.276 178.583 176.300 0.011 0.000 1.088 18 R CA 0.520 56.628 56.100 0.014 0.000 0.985 18 R CB -0.010 30.302 30.300 0.020 0.000 0.880 18 R HN 0.161 nan 8.270 nan 0.000 0.451 19 L N -0.107 121.133 121.223 0.028 0.000 2.179 19 L HA -0.039 4.302 4.340 0.001 0.000 0.208 19 L C 1.993 178.868 176.870 0.008 0.000 1.096 19 L CA 0.935 55.823 54.840 0.080 0.000 0.779 19 L CB -0.133 42.002 42.059 0.126 0.000 0.922 19 L HN 0.177 nan 8.230 nan 0.000 0.443 20 I N -0.409 120.116 120.570 -0.075 0.000 2.333 20 I HA -0.162 4.008 4.170 0.001 0.000 0.246 20 I C 2.761 178.783 176.117 -0.159 0.000 1.106 20 I CA 0.889 62.069 61.300 -0.200 0.000 1.411 20 I CB -0.374 37.518 38.000 -0.181 0.000 1.082 20 I HN 0.144 nan 8.210 nan 0.000 0.420 21 A N 0.547 123.363 122.820 -0.007 0.000 1.902 21 A HA -0.105 4.216 4.320 0.001 0.000 0.217 21 A C 1.541 179.161 177.584 0.060 0.000 1.181 21 A CA 0.598 52.693 52.037 0.097 0.000 0.623 21 A CB -0.823 18.209 19.000 0.054 0.000 0.818 21 A HN 0.183 nan 8.150 nan 0.000 0.443 22 V N 1.649 121.540 119.914 -0.038 0.000 2.681 22 V HA -0.010 4.111 4.120 0.001 0.000 0.306 22 V C 0.106 176.118 176.094 -0.137 0.000 1.077 22 V CA -0.028 62.210 62.300 -0.104 0.000 1.224 22 V CB -0.274 31.437 31.823 -0.187 0.000 0.879 22 V HN 0.660 nan 8.190 nan 0.000 0.494 23 E N 5.733 125.845 120.200 -0.146 0.000 2.398 23 E HA 0.379 4.729 4.350 0.001 0.000 0.263 23 E C -0.493 175.846 176.600 -0.435 0.000 1.046 23 E CA 0.354 56.587 56.400 -0.278 0.000 0.908 23 E CB 0.506 30.006 29.700 -0.333 0.000 0.963 23 E HN 0.662 nan 8.360 nan 0.000 0.431 24 K N 1.708 121.746 120.400 -0.604 0.000 2.501 24 K HA 0.451 4.771 4.320 0.001 0.000 0.252 24 K C -1.412 174.859 176.600 -0.549 0.000 0.934 24 K CA -0.689 55.331 56.287 -0.444 0.000 0.797 24 K CB 1.569 33.915 32.500 -0.257 0.000 1.270 24 K HN 0.400 nan 8.250 nan 0.000 0.431 25 Y N -0.305 119.946 120.300 -0.082 0.000 2.512 25 Y HA 0.481 5.031 4.550 0.000 0.000 0.348 25 Y C -0.168 175.689 175.900 -0.071 0.000 0.990 25 Y CA -0.851 57.201 58.100 -0.080 0.000 1.033 25 Y CB 2.723 41.102 38.460 -0.135 0.000 1.259 25 Y HN 0.470 nan 8.280 nan 0.000 0.461 26 S N 2.247 118.016 115.700 0.114 0.000 2.547 26 S HA 0.551 5.021 4.470 0.001 0.000 0.281 26 S C -2.005 172.592 174.600 -0.004 0.000 1.118 26 S CA -0.555 57.662 58.200 0.029 0.000 0.947 26 S CB 0.933 64.145 63.200 0.020 0.000 1.053 26 S HN 0.559 nan 8.310 nan 0.000 0.482 27 L N 4.849 126.033 121.223 -0.066 0.000 2.265 27 L HA 0.538 4.878 4.340 0.001 0.000 0.288 27 L C 0.805 177.604 176.870 -0.119 0.000 1.058 27 L CA 0.433 55.205 54.840 -0.113 0.000 0.809 27 L CB 1.023 42.986 42.059 -0.161 0.000 1.179 27 L HN 0.753 nan 8.230 nan 0.000 0.429 28 Q N 3.768 123.513 119.800 -0.092 0.000 2.402 28 Q HA 0.477 4.818 4.340 0.001 0.000 0.231 28 Q C 0.616 176.558 176.000 -0.096 0.000 0.888 28 Q CA 0.652 56.412 55.803 -0.072 0.000 0.938 28 Q CB 1.335 30.058 28.738 -0.025 0.000 1.086 28 Q HN 0.900 nan 8.270 nan 0.000 0.543 29 G N -0.379 108.341 108.800 -0.133 0.000 2.368 29 G HA2 0.276 4.236 3.960 0.001 0.000 0.269 29 G HA3 0.276 4.236 3.960 0.001 0.000 0.269 29 G C -1.769 173.004 174.900 -0.212 0.000 1.291 29 G CA -0.483 44.489 45.100 -0.214 0.000 0.903 29 G HN -0.084 nan 8.290 nan 0.000 0.483 30 V N 0.289 120.005 119.914 -0.329 0.000 2.735 30 V HA 0.827 4.948 4.120 0.001 0.000 0.310 30 V C 0.233 176.286 176.094 -0.068 0.000 1.061 30 V CA -0.191 62.035 62.300 -0.123 0.000 0.913 30 V CB 1.326 33.173 31.823 0.041 0.000 1.005 30 V HN 1.710 nan 8.190 nan 0.000 0.428 31 V N -0.312 119.629 119.914 0.045 0.000 3.130 31 V HA 0.761 4.881 4.120 0.001 0.000 0.310 31 V C -0.060 176.097 176.094 0.105 0.000 1.158 31 V CA -0.806 61.534 62.300 0.067 0.000 1.029 31 V CB 1.829 33.680 31.823 0.046 0.000 1.057 31 V HN 0.752 nan 8.190 nan 0.000 0.436 32 D N 0.972 121.430 120.400 0.096 0.000 2.751 32 D HA -0.061 4.579 4.640 0.001 0.000 0.233 32 D C 1.077 177.439 176.300 0.103 0.000 1.149 32 D CA 2.680 56.733 54.000 0.089 0.000 0.682 32 D CB -1.160 39.684 40.800 0.073 0.000 1.068 32 D HN 2.015 nan 8.370 nan 0.000 0.429 33 G N -0.272 108.603 108.800 0.125 0.000 5.064 33 G HA2 -0.279 3.682 3.960 0.001 0.000 0.277 33 G HA3 -0.279 3.682 3.960 0.001 0.000 0.277 33 G C -0.169 174.833 174.900 0.171 0.000 1.580 33 G CA 0.251 45.426 45.100 0.124 0.000 1.109 33 G HN 0.377 nan 8.290 nan 0.000 0.695 34 D N 1.751 122.261 120.400 0.184 0.000 2.621 34 D HA 0.401 5.041 4.640 0.001 0.000 0.274 34 D C -0.660 175.922 176.300 0.470 0.000 1.215 34 D CA -0.136 54.044 54.000 0.300 0.000 0.810 34 D CB 0.760 41.594 40.800 0.058 0.000 1.248 34 D HN 0.303 nan 8.370 nan 0.000 0.517 35 K N 1.801 122.427 120.400 0.376 0.000 2.613 35 K HA 0.367 4.687 4.320 0.001 0.000 0.248 35 K C 0.054 176.710 176.600 0.093 0.000 0.959 35 K CA -0.619 55.810 56.287 0.237 0.000 0.855 35 K CB 2.652 35.233 32.500 0.135 0.000 1.143 35 K HN 0.194 nan 8.250 nan 0.000 0.437 36 L N 3.091 124.256 121.223 -0.095 0.000 2.455 36 L HA 0.101 4.441 4.340 0.001 0.000 0.272 36 L C 0.329 177.164 176.870 -0.059 0.000 1.174 36 L CA -0.521 54.201 54.840 -0.197 0.000 0.869 36 L CB 0.033 41.850 42.059 -0.402 0.000 1.130 36 L HN 0.327 nan 8.230 nan 0.000 0.474 37 L N 6.171 127.360 121.223 -0.057 0.000 2.255 37 L HA 0.461 4.801 4.340 0.001 0.000 0.289 37 L C -0.343 176.517 176.870 -0.015 0.000 1.046 37 L CA -0.041 54.791 54.840 -0.013 0.000 0.816 37 L CB 1.359 43.409 42.059 -0.016 0.000 1.197 37 L HN 0.367 nan 8.230 nan 0.000 0.427 38 V N 6.018 125.958 119.914 0.043 0.000 2.540 38 V HA 0.638 4.759 4.120 0.001 0.000 0.302 38 V C -0.764 175.434 176.094 0.174 0.000 1.035 38 V CA -0.540 61.801 62.300 0.069 0.000 0.873 38 V CB 2.082 33.919 31.823 0.023 0.000 0.992 38 V HN 0.454 nan 8.190 nan 0.000 0.428 39 V N 5.894 125.887 119.914 0.132 0.000 2.546 39 V HA 0.853 4.973 4.120 0.001 0.000 0.284 39 V C 0.924 177.134 176.094 0.194 0.000 1.050 39 V CA 0.755 63.147 62.300 0.152 0.000 0.981 39 V CB 1.176 33.045 31.823 0.077 0.000 0.990 39 V HN 1.280 nan 8.190 nan 0.000 0.474 40 G N 3.085 112.029 108.800 0.240 0.000 2.706 40 G HA2 0.541 4.501 3.960 0.001 0.000 0.297 40 G HA3 0.541 4.501 3.960 0.001 0.000 0.297 40 G C -1.609 173.314 174.900 0.039 0.000 1.403 40 G CA -0.612 44.522 45.100 0.057 0.000 0.954 40 G HN 0.460 nan 8.290 nan 0.000 0.500 41 F N 2.592 122.410 119.950 -0.221 0.000 2.413 41 F HA 0.681 5.208 4.527 0.001 0.000 0.359 41 F C 0.382 176.039 175.800 -0.239 0.000 1.122 41 F CA -0.139 57.760 58.000 -0.170 0.000 1.160 41 F CB 1.126 40.024 39.000 -0.170 0.000 1.146 41 F HN 0.496 nan 8.300 nan 0.000 0.514 42 S N 3.702 119.179 115.700 -0.372 0.000 2.567 42 S HA 0.369 4.839 4.470 0.001 0.000 0.270 42 S C -0.635 173.827 174.600 -0.230 0.000 1.152 42 S CA -0.644 57.422 58.200 -0.223 0.000 0.835 42 S CB 1.202 64.299 63.200 -0.172 0.000 1.115 42 S HN 0.590 nan 8.310 nan 0.000 0.459 43 E N 1.191 121.311 120.200 -0.135 0.000 2.365 43 E HA -0.187 4.163 4.350 0.001 0.000 0.237 43 E C 0.895 177.371 176.600 -0.207 0.000 1.238 43 E CA 1.923 58.254 56.400 -0.114 0.000 0.718 43 E CB -1.590 28.078 29.700 -0.054 0.000 1.218 43 E HN 1.720 nan 8.360 nan 0.000 0.387 44 G N -1.657 106.943 108.800 -0.334 0.000 2.176 44 G HA2 -0.302 3.659 3.960 0.001 0.000 0.253 44 G HA3 -0.302 3.659 3.960 0.001 0.000 0.253 44 G C 0.211 174.736 174.900 -0.626 0.000 0.979 44 G CA 0.604 45.503 45.100 -0.336 0.000 0.641 44 G HN 1.255 nan 8.290 nan 0.000 0.530 45 S N -1.721 113.453 115.700 -0.876 0.000 2.579 45 S HA 0.706 5.177 4.470 0.001 0.000 0.272 45 S C -0.574 173.639 174.600 -0.644 0.000 1.141 45 S CA -0.381 57.423 58.200 -0.659 0.000 0.843 45 S CB 2.504 65.528 63.200 -0.294 0.000 1.122 45 S HN 1.099 nan 8.310 nan 0.000 0.468 46 V N 3.177 122.913 119.914 -0.297 0.000 2.470 46 V HA 0.385 4.505 4.120 0.001 0.000 0.276 46 V C -0.156 175.877 176.094 -0.101 0.000 1.040 46 V CA -0.040 62.205 62.300 -0.091 0.000 1.008 46 V CB -0.279 31.576 31.823 0.053 0.000 0.990 46 V HN 0.823 nan 8.190 nan 0.000 0.477 47 N N 2.538 121.200 118.700 -0.063 0.000 2.509 47 N HA 0.776 5.517 4.740 0.001 0.000 0.280 47 N C -0.729 174.670 175.510 -0.185 0.000 1.306 47 N CA -0.492 52.447 53.050 -0.184 0.000 0.782 47 N CB 2.371 40.665 38.487 -0.322 0.000 1.493 47 N HN 0.655 nan 8.380 nan 0.000 0.498 48 A N 0.743 123.339 122.820 -0.374 0.000 2.318 48 A HA 0.743 5.064 4.320 0.001 0.000 0.324 48 A C -1.627 175.701 177.584 -0.427 0.000 1.170 48 A CA -0.359 51.543 52.037 -0.225 0.000 0.810 48 A CB 0.354 19.279 19.000 -0.125 0.000 1.198 48 A HN 0.572 nan 8.150 nan 0.000 0.484 49 Y N 0.835 121.144 120.300 0.016 0.000 2.512 49 Y HA 0.547 5.097 4.550 0.001 0.000 0.348 49 Y C -0.101 175.812 175.900 0.022 0.000 0.990 49 Y CA -0.818 57.297 58.100 0.025 0.000 1.033 49 Y CB 1.837 40.331 38.460 0.056 0.000 1.259 49 Y HN 0.536 nan 8.280 nan 0.000 0.461 50 L N 2.823 124.151 121.223 0.175 0.000 2.312 50 L HA 0.352 4.692 4.340 0.001 0.000 0.281 50 L C -1.074 175.883 176.870 0.145 0.000 1.070 50 L CA -0.747 54.163 54.840 0.117 0.000 0.805 50 L CB 0.967 43.068 42.059 0.069 0.000 1.174 50 L HN 0.646 nan 8.230 nan 0.000 0.434 51 Y N 2.962 123.238 120.300 -0.039 0.000 2.393 51 Y HA 0.552 5.103 4.550 0.001 0.000 0.341 51 Y C -0.793 175.079 175.900 -0.047 0.000 0.988 51 Y CA -0.388 57.658 58.100 -0.090 0.000 1.078 51 Y CB 1.765 40.090 38.460 -0.224 0.000 1.203 51 Y HN 0.635 nan 8.280 nan 0.000 0.453 52 D N 2.457 122.436 120.400 -0.702 0.000 2.720 52 D HA 0.358 4.999 4.640 0.001 0.000 0.239 52 D C -0.057 175.958 176.300 -0.474 0.000 1.218 52 D CA 0.292 54.083 54.000 -0.347 0.000 0.748 52 D CB 1.225 42.052 40.800 0.045 0.000 1.387 52 D HN 0.974 nan 8.370 nan 0.000 0.438 53 G N 1.025 109.719 108.800 -0.176 0.000 2.356 53 G HA2 0.160 4.120 3.960 0.001 0.000 0.296 53 G HA3 0.160 4.120 3.960 0.001 0.000 0.296 53 G C 1.166 175.961 174.900 -0.175 0.000 1.022 53 G CA 1.299 46.332 45.100 -0.111 0.000 0.961 53 G HN 1.756 nan 8.290 nan 0.000 0.510 54 G N -1.572 107.070 108.800 -0.262 0.000 2.233 54 G HA2 -0.233 3.727 3.960 0.001 0.000 0.270 54 G HA3 -0.233 3.727 3.960 0.001 0.000 0.270 54 G C 0.145 174.969 174.900 -0.127 0.000 1.011 54 G CA 1.257 46.305 45.100 -0.088 0.000 0.762 54 G HN 1.090 nan 8.290 nan 0.000 0.511 55 E N -0.506 119.498 120.200 -0.326 0.000 2.369 55 E HA 0.611 4.961 4.350 0.001 0.000 0.270 55 E C -0.235 176.277 176.600 -0.147 0.000 0.909 55 E CA -0.309 56.000 56.400 -0.152 0.000 0.775 55 E CB 1.835 31.476 29.700 -0.098 0.000 1.270 55 E HN 0.344 nan 8.360 nan 0.000 0.445 56 T N -1.921 112.636 114.554 0.005 0.000 2.885 56 T HA 0.607 4.958 4.350 0.001 0.000 0.285 56 T C -0.208 174.558 174.700 0.110 0.000 1.019 56 T CA -0.762 61.392 62.100 0.090 0.000 1.010 56 T CB 1.271 70.209 68.868 0.117 0.000 1.022 56 T HN 0.163 nan 8.240 nan 0.000 0.466 57 V N 2.062 122.058 119.914 0.136 0.000 2.495 57 V HA 0.514 4.634 4.120 0.001 0.000 0.298 57 V C 0.220 176.389 176.094 0.126 0.000 1.031 57 V CA -1.149 61.215 62.300 0.108 0.000 0.871 57 V CB 1.667 33.519 31.823 0.048 0.000 0.988 57 V HN 1.005 nan 8.190 nan 0.000 0.432 58 K N 2.896 123.327 120.400 0.051 0.000 2.276 58 K HA 0.433 4.753 4.320 0.001 0.000 0.283 58 K C 0.308 176.812 176.600 -0.161 0.000 1.044 58 K CA -0.358 55.817 56.287 -0.186 0.000 0.944 58 K CB 0.924 33.314 32.500 -0.183 0.000 1.012 58 K HN 0.663 nan 8.250 nan 0.000 0.472 59 L N 2.955 124.047 121.223 -0.219 0.000 2.221 59 L HA -0.031 4.310 4.340 0.001 0.000 0.202 59 L C 1.088 177.879 176.870 -0.132 0.000 1.074 59 L CA 0.108 54.870 54.840 -0.129 0.000 0.795 59 L CB -0.242 41.756 42.059 -0.100 0.000 0.960 59 L HN 0.744 nan 8.230 nan 0.000 0.458 60 N N -0.617 117.969 118.700 -0.190 0.000 2.413 60 N HA 0.129 4.870 4.740 0.001 0.000 0.266 60 N C 0.361 175.774 175.510 -0.162 0.000 1.238 60 N CA -0.426 52.519 53.050 -0.175 0.000 0.972 60 N CB 1.132 39.496 38.487 -0.204 0.000 1.210 60 N HN -0.070 nan 8.380 nan 0.000 0.547 61 R N -0.316 120.089 120.500 -0.157 0.000 1.921 61 R HA 0.215 4.555 4.340 0.001 0.000 0.190 61 R C 0.152 176.363 176.300 -0.147 0.000 1.595 61 R CA 0.268 56.288 56.100 -0.133 0.000 1.236 61 R CB -0.728 29.506 30.300 -0.110 0.000 1.010 61 R HN 0.657 nan 8.270 nan 0.000 0.482 62 E N 2.052 122.152 120.200 -0.166 0.000 2.392 62 E HA 0.218 4.569 4.350 0.001 0.000 0.259 62 E C -2.155 174.343 176.600 -0.170 0.000 1.108 62 E CA -1.982 54.323 56.400 -0.157 0.000 0.916 62 E CB -0.240 29.363 29.700 -0.161 0.000 0.989 62 E HN 0.037 nan 8.360 nan 0.000 0.432 63 P HA 0.024 nan 4.420 nan 0.000 0.267 63 P C -0.262 176.968 177.300 -0.117 0.000 1.200 63 P CA 0.490 63.515 63.100 -0.126 0.000 0.772 63 P CB 0.327 31.969 31.700 -0.096 0.000 0.855 64 I N -1.157 119.356 120.570 -0.095 0.000 3.170 64 I HA 0.467 4.638 4.170 0.001 0.000 0.312 64 I C 0.279 176.392 176.117 -0.008 0.000 1.085 64 I CA -0.922 60.338 61.300 -0.067 0.000 0.999 64 I CB 2.262 40.210 38.000 -0.087 0.000 1.233 64 I HN 0.057 nan 8.210 nan 0.000 0.467 65 N N 0.105 118.817 118.700 0.020 0.000 2.482 65 N HA 0.134 4.874 4.740 0.001 0.000 0.179 65 N C -0.105 175.418 175.510 0.023 0.000 1.039 65 N CA 0.812 53.889 53.050 0.044 0.000 0.884 65 N CB 0.471 39.005 38.487 0.078 0.000 1.113 65 N HN 0.874 nan 8.380 nan 0.000 0.440 66 S N -1.369 114.331 115.700 -0.001 0.000 2.715 66 S HA 0.523 4.994 4.470 0.001 0.000 0.284 66 S C -1.467 173.135 174.600 0.002 0.000 1.216 66 S CA -0.685 57.519 58.200 0.007 0.000 0.970 66 S CB 0.550 63.761 63.200 0.018 0.000 1.273 66 S HN 0.070 nan 8.310 nan 0.000 0.509 67 V N -1.058 118.865 119.914 0.015 0.000 3.130 67 V HA 0.758 4.878 4.120 0.001 0.000 0.310 67 V C -0.701 175.416 176.094 0.038 0.000 1.158 67 V CA -1.289 61.023 62.300 0.020 0.000 1.029 67 V CB 1.145 32.978 31.823 0.017 0.000 1.057 67 V HN 1.010 nan 8.190 nan 0.000 0.436 68 L N 1.470 122.719 121.223 0.045 0.000 2.436 68 L HA 0.411 4.751 4.340 0.001 0.000 0.265 68 L C 0.264 177.182 176.870 0.079 0.000 1.168 68 L CA -0.188 54.697 54.840 0.074 0.000 0.815 68 L CB 0.545 42.650 42.059 0.077 0.000 1.109 68 L HN 0.798 nan 8.230 nan 0.000 0.462 69 D N 3.320 123.786 120.400 0.110 0.000 2.343 69 D HA 0.146 4.787 4.640 0.001 0.000 0.255 69 D C -2.370 174.002 176.300 0.122 0.000 1.187 69 D CA -1.447 52.621 54.000 0.113 0.000 0.875 69 D CB 1.037 41.936 40.800 0.165 0.000 1.136 69 D HN 0.130 nan 8.370 nan 0.000 0.469 70 P HA 0.186 nan 4.420 nan 0.000 0.296 70 P C -0.201 177.195 177.300 0.159 0.000 1.306 70 P CA -0.364 62.795 63.100 0.099 0.000 0.818 70 P CB 0.713 32.438 31.700 0.042 0.000 0.969 71 H N 1.613 120.722 119.070 0.065 0.000 2.913 71 H HA -0.022 4.534 4.556 0.001 0.000 0.365 71 H C 0.118 175.510 175.328 0.107 0.000 1.155 71 H CA 0.009 56.133 56.048 0.126 0.000 1.417 71 H CB 0.255 30.112 29.762 0.158 0.000 1.386 71 H HN 0.389 nan 8.280 nan 0.000 0.614 72 Y N 0.107 120.495 120.300 0.145 0.000 2.729 72 Y HA -0.000 4.550 4.550 0.001 0.000 0.331 72 Y C 1.470 177.442 175.900 0.121 0.000 1.208 72 Y CA 1.265 59.434 58.100 0.115 0.000 1.521 72 Y CB 0.183 38.691 38.460 0.080 0.000 1.233 72 Y HN 0.973 nan 8.280 nan 0.000 0.539 73 G N 1.135 110.056 108.800 0.202 0.000 2.159 73 G HA2 -0.291 3.670 3.960 0.001 0.000 0.227 73 G HA3 -0.291 3.670 3.960 0.001 0.000 0.227 73 G C 0.850 175.822 174.900 0.120 0.000 0.986 73 G CA 0.130 45.327 45.100 0.162 0.000 0.651 73 G HN 0.574 nan 8.290 nan 0.000 0.523 74 V N 0.221 120.202 119.914 0.112 0.000 2.231 74 V HA 0.176 4.297 4.120 0.001 0.000 0.248 74 V C 2.705 178.841 176.094 0.071 0.000 1.054 74 V CA 3.429 65.785 62.300 0.093 0.000 1.015 74 V CB -0.906 30.968 31.823 0.084 0.000 0.638 74 V HN 2.157 nan 8.190 nan 0.000 0.444 75 G N 0.324 109.162 108.800 0.063 0.000 2.192 75 G HA2 -0.173 3.787 3.960 0.001 0.000 0.193 75 G HA3 -0.173 3.787 3.960 0.001 0.000 0.193 75 G C 0.221 175.147 174.900 0.043 0.000 0.999 75 G CA 0.093 45.224 45.100 0.051 0.000 0.659 75 G HN 0.864 nan 8.290 nan 0.000 0.503 76 R N -1.314 119.212 120.500 0.043 0.000 2.734 76 R HA 0.798 5.138 4.340 0.001 0.000 0.271 76 R C -1.728 174.594 176.300 0.037 0.000 1.021 76 R CA -0.885 55.238 56.100 0.037 0.000 0.893 76 R CB 1.676 31.997 30.300 0.036 0.000 1.244 76 R HN 0.313 nan 8.270 nan 0.000 0.464 77 V N 2.143 122.076 119.914 0.031 0.000 2.680 77 V HA 0.476 4.596 4.120 0.001 0.000 0.309 77 V C -0.472 175.642 176.094 0.034 0.000 1.052 77 V CA -1.018 61.299 62.300 0.029 0.000 0.908 77 V CB 2.089 33.923 31.823 0.017 0.000 1.001 77 V HN 0.574 nan 8.190 nan 0.000 0.431 78 I N 5.312 125.904 120.570 0.036 0.000 2.328 78 I HA 0.380 4.551 4.170 0.001 0.000 0.287 78 I C -0.012 176.130 176.117 0.041 0.000 1.012 78 I CA -0.254 61.069 61.300 0.038 0.000 1.195 78 I CB 1.145 39.159 38.000 0.024 0.000 1.350 78 I HN 0.387 nan 8.210 nan 0.000 0.464 79 L N 6.362 127.626 121.223 0.068 0.000 2.397 79 L HA 0.434 4.775 4.340 0.001 0.000 0.271 79 L C -0.054 176.876 176.870 0.099 0.000 1.148 79 L CA -0.675 54.202 54.840 0.060 0.000 0.825 79 L CB 1.024 43.106 42.059 0.037 0.000 1.117 79 L HN 0.209 nan 8.230 nan 0.000 0.456 80 V N 3.415 123.357 119.914 0.048 0.000 2.384 80 V HA 0.509 4.630 4.120 0.001 0.000 0.287 80 V C -0.099 176.038 176.094 0.072 0.000 1.020 80 V CA -0.611 61.717 62.300 0.047 0.000 0.850 80 V CB 1.479 33.261 31.823 -0.069 0.000 0.987 80 V HN 0.731 nan 8.190 nan 0.000 0.436 81 R N 2.679 123.289 120.500 0.184 0.000 2.538 81 R HA 0.332 4.673 4.340 0.001 0.000 0.292 81 R C -1.081 175.378 176.300 0.266 0.000 1.008 81 R CA -0.679 55.511 56.100 0.151 0.000 0.896 81 R CB 1.617 31.882 30.300 -0.059 0.000 1.187 81 R HN 0.754 nan 8.270 nan 0.000 0.440 82 D N 3.871 124.428 120.400 0.262 0.000 2.412 82 D HA -0.005 4.635 4.640 0.001 0.000 0.257 82 D C 0.743 177.089 176.300 0.076 0.000 1.217 82 D CA 0.215 54.296 54.000 0.135 0.000 0.897 82 D CB 1.299 42.153 40.800 0.091 0.000 1.132 82 D HN 0.387 nan 8.370 nan 0.000 0.493 83 V N 1.686 121.639 119.914 0.064 0.000 3.177 83 V HA 0.215 4.336 4.120 0.001 0.000 0.342 83 V C 0.765 176.872 176.094 0.022 0.000 1.379 83 V CA 0.329 62.667 62.300 0.063 0.000 1.191 83 V CB -0.324 31.567 31.823 0.112 0.000 1.167 83 V HN 0.466 nan 8.190 nan 0.000 0.471 84 S N -0.922 114.776 115.700 -0.003 0.000 2.843 84 S HA 0.362 4.832 4.470 0.001 0.000 0.249 84 S C 0.450 175.047 174.600 -0.005 0.000 1.047 84 S CA -0.295 57.897 58.200 -0.012 0.000 1.042 84 S CB -0.263 62.917 63.200 -0.034 0.000 0.936 84 S HN 0.579 nan 8.310 nan 0.000 0.531 85 K N 0.635 121.038 120.400 0.005 0.000 3.016 85 K HA -0.198 4.122 4.320 0.001 0.000 0.262 85 K C 0.978 177.588 176.600 0.016 0.000 1.043 85 K CA 0.703 56.996 56.287 0.011 0.000 0.761 85 K CB -1.867 30.638 32.500 0.009 0.000 1.230 85 K HN 1.098 nan 8.250 nan 0.000 0.485 86 G N -1.937 106.873 108.800 0.016 0.000 2.336 86 G HA2 -0.173 3.788 3.960 0.001 0.000 0.194 86 G HA3 -0.173 3.788 3.960 0.001 0.000 0.194 86 G C 0.619 175.532 174.900 0.021 0.000 0.999 86 G CA 0.063 45.183 45.100 0.033 0.000 0.669 86 G HN 0.639 nan 8.290 nan 0.000 0.482 87 A N 0.569 123.383 122.820 -0.011 0.000 2.259 87 A HA 0.555 4.875 4.320 0.001 0.000 0.208 87 A C 1.127 178.667 177.584 -0.073 0.000 1.201 87 A CA 1.595 53.616 52.037 -0.027 0.000 0.824 87 A CB -0.541 18.443 19.000 -0.027 0.000 0.838 87 A HN 1.156 nan 8.150 nan 0.000 0.485 88 E N -0.496 119.620 120.200 -0.139 0.000 2.513 88 E HA -0.158 4.192 4.350 0.001 0.000 0.257 88 E C -0.871 175.400 176.600 -0.548 0.000 1.098 88 E CA 0.402 56.576 56.400 -0.378 0.000 0.752 88 E CB -1.141 28.523 29.700 -0.059 0.000 1.324 88 E HN 0.643 nan 8.360 nan 0.000 0.403 89 Q N 0.744 120.331 119.800 -0.355 0.000 2.406 89 Q HA 0.249 4.589 4.340 0.001 0.000 0.242 89 Q C -0.323 175.535 176.000 -0.236 0.000 1.036 89 Q CA 0.257 55.921 55.803 -0.232 0.000 0.904 89 Q CB 0.449 29.131 28.738 -0.093 0.000 1.244 89 Q HN 0.339 nan 8.270 nan 0.000 0.478 90 H N 0.109 119.210 119.070 0.051 0.000 2.488 90 H HA 0.713 5.270 4.556 0.001 0.000 0.347 90 H C -0.307 175.035 175.328 0.025 0.000 1.174 90 H CA -0.554 55.528 56.048 0.056 0.000 1.307 90 H CB 1.336 31.132 29.762 0.056 0.000 1.517 90 H HN 0.676 nan 8.280 nan 0.000 0.554 91 A N 1.718 124.666 122.820 0.214 0.000 2.430 91 A HA 0.645 4.965 4.320 0.001 0.000 0.300 91 A C -1.212 176.403 177.584 0.051 0.000 1.124 91 A CA -0.803 51.265 52.037 0.051 0.000 0.766 91 A CB 1.104 20.121 19.000 0.029 0.000 1.328 91 A HN 0.570 nan 8.150 nan 0.000 0.424 92 L N 0.570 121.661 121.223 -0.221 0.000 2.329 92 L HA 0.632 4.973 4.340 0.001 0.000 0.279 92 L C -1.534 175.127 176.870 -0.349 0.000 1.014 92 L CA -0.253 54.493 54.840 -0.156 0.000 0.814 92 L CB 1.414 43.322 42.059 -0.251 0.000 1.257 92 L HN 0.631 nan 8.230 nan 0.000 0.424 93 F N 1.727 121.641 119.950 -0.060 0.000 2.536 93 F HA 0.379 4.906 4.527 0.001 0.000 0.322 93 F C 0.155 175.933 175.800 -0.037 0.000 1.144 93 F CA -0.847 57.127 58.000 -0.042 0.000 0.924 93 F CB 1.775 40.753 39.000 -0.036 0.000 1.181 93 F HN 0.310 nan 8.300 nan 0.000 0.438 94 K N 3.002 123.459 120.400 0.095 0.000 2.276 94 K HA 0.631 4.952 4.320 0.001 0.000 0.283 94 K C -1.345 175.299 176.600 0.072 0.000 1.044 94 K CA -0.253 56.072 56.287 0.062 0.000 0.944 94 K CB 0.878 33.394 32.500 0.028 0.000 1.012 94 K HN 0.526 nan 8.250 nan 0.000 0.472 95 V N 5.009 124.954 119.914 0.050 0.000 2.444 95 V HA 0.157 4.277 4.120 0.001 0.000 0.294 95 V C -0.103 176.006 176.094 0.026 0.000 1.022 95 V CA -1.102 61.217 62.300 0.032 0.000 0.850 95 V CB 1.395 33.225 31.823 0.013 0.000 0.992 95 V HN 0.862 nan 8.190 nan 0.000 0.426 96 N N 2.805 121.519 118.700 0.023 0.000 2.470 96 N HA 0.028 4.768 4.740 0.001 0.000 0.268 96 N C 1.325 176.847 175.510 0.019 0.000 1.136 96 N CA 0.376 53.440 53.050 0.023 0.000 0.961 96 N CB 1.846 40.346 38.487 0.021 0.000 1.067 96 N HN 0.860 nan 8.380 nan 0.000 0.468 97 T N 0.065 114.633 114.554 0.023 0.000 3.025 97 T HA -0.066 4.285 4.350 0.001 0.000 0.270 97 T C 1.471 176.183 174.700 0.021 0.000 1.126 97 T CA 0.767 62.880 62.100 0.023 0.000 1.105 97 T CB 0.002 68.890 68.868 0.032 0.000 0.884 97 T HN 0.355 nan 8.240 nan 0.000 0.522 98 S N 0.795 116.507 115.700 0.020 0.000 2.528 98 S HA 0.288 4.759 4.470 0.001 0.000 0.219 98 S C 1.364 175.972 174.600 0.012 0.000 0.985 98 S CA 0.439 58.650 58.200 0.017 0.000 0.914 98 S CB -0.036 63.175 63.200 0.018 0.000 0.776 98 S HN 0.853 nan 8.310 nan 0.000 0.526 99 R N 1.950 122.456 120.500 0.011 0.000 2.629 99 R HA 0.541 4.881 4.340 0.001 0.000 0.277 99 R C -3.410 172.891 176.300 0.002 0.000 1.637 99 R CA -1.900 54.204 56.100 0.006 0.000 1.663 99 R CB -0.839 29.466 30.300 0.008 0.000 1.228 99 R HN 0.147 nan 8.270 nan 0.000 0.632 100 P HA 0.356 nan 4.420 nan 0.000 0.271 100 P C 1.000 178.286 177.300 -0.023 0.000 1.218 100 P CA 1.408 64.499 63.100 -0.015 0.000 0.780 100 P CB 1.548 33.239 31.700 -0.014 0.000 0.901 101 G N 0.872 109.649 108.800 -0.038 0.000 2.148 101 G HA2 -0.239 3.722 3.960 0.001 0.000 0.254 101 G HA3 -0.239 3.722 3.960 0.001 0.000 0.254 101 G C -0.251 174.632 174.900 -0.028 0.000 0.981 101 G CA -0.197 44.876 45.100 -0.046 0.000 0.670 101 G HN 0.607 nan 8.290 nan 0.000 0.528 102 E N 0.672 120.865 120.200 -0.012 0.000 2.145 102 E HA 0.422 4.772 4.350 0.001 0.000 0.262 102 E C -0.397 176.216 176.600 0.021 0.000 0.883 102 E CA -0.448 55.955 56.400 0.004 0.000 0.748 102 E CB 1.202 30.906 29.700 0.007 0.000 1.140 102 E HN 0.568 nan 8.360 nan 0.000 0.417 103 E N 2.265 122.489 120.200 0.041 0.000 2.179 103 E HA 0.200 4.551 4.350 0.001 0.000 0.275 103 E C -0.648 176.028 176.600 0.127 0.000 0.945 103 E CA -0.630 55.830 56.400 0.100 0.000 0.792 103 E CB 2.097 31.872 29.700 0.126 0.000 1.125 103 E HN 0.274 nan 8.360 nan 0.000 0.397 104 Q N 3.309 123.178 119.800 0.116 0.000 2.381 104 Q HA 0.192 4.532 4.340 0.001 0.000 0.263 104 Q C -0.797 175.204 176.000 0.002 0.000 1.030 104 Q CA -0.692 55.148 55.803 0.061 0.000 0.772 104 Q CB 1.144 29.895 28.738 0.021 0.000 1.232 104 Q HN 0.432 nan 8.270 nan 0.000 0.476 105 R N 3.920 124.374 120.500 -0.077 0.000 2.538 105 R HA 0.061 4.402 4.340 0.001 0.000 0.282 105 R C -0.504 175.606 176.300 -0.316 0.000 1.009 105 R CA 0.093 55.906 56.100 -0.478 0.000 1.063 105 R CB 0.345 30.336 30.300 -0.515 0.000 0.945 105 R HN 0.608 nan 8.270 nan 0.000 0.414 106 L N 5.777 126.783 121.223 -0.362 0.000 2.404 106 L HA 0.075 4.416 4.340 0.001 0.000 0.277 106 L C 1.041 177.791 176.870 -0.200 0.000 1.184 106 L CA -0.216 54.496 54.840 -0.214 0.000 1.013 106 L CB 0.738 42.688 42.059 -0.181 0.000 1.318 106 L HN 0.735 nan 8.230 nan 0.000 0.435 107 E N 2.060 122.170 120.200 -0.150 0.000 2.265 107 E HA -0.180 4.170 4.350 0.001 0.000 0.196 107 E C 2.051 178.599 176.600 -0.088 0.000 0.996 107 E CA 1.071 57.399 56.400 -0.120 0.000 0.832 107 E CB 0.247 29.896 29.700 -0.084 0.000 0.756 107 E HN 0.779 nan 8.360 nan 0.000 0.491 108 A N 1.055 123.834 122.820 -0.069 0.000 1.978 108 A HA -0.096 4.224 4.320 0.001 0.000 0.220 108 A C 1.464 179.019 177.584 -0.048 0.000 1.170 108 A CA 0.722 52.735 52.037 -0.041 0.000 0.636 108 A CB -0.026 18.966 19.000 -0.013 0.000 0.810 108 A HN 0.055 nan 8.150 nan 0.000 0.448 109 V N 2.069 121.935 119.914 -0.079 0.000 2.334 109 V HA 0.234 4.355 4.120 0.001 0.000 0.267 109 V C 0.476 176.503 176.094 -0.112 0.000 1.040 109 V CA -0.396 61.848 62.300 -0.093 0.000 0.866 109 V CB 0.567 32.300 31.823 -0.150 0.000 1.019 109 V HN 0.515 nan 8.190 nan 0.000 0.468 110 K N 5.463 125.809 120.400 -0.090 0.000 2.355 110 K HA 0.325 4.646 4.320 0.001 0.000 0.270 110 K C -2.709 173.851 176.600 -0.066 0.000 1.003 110 K CA -1.147 55.097 56.287 -0.072 0.000 0.957 110 K CB 0.084 32.552 32.500 -0.054 0.000 0.939 110 K HN 0.582 nan 8.250 nan 0.000 0.482 111 P HA 0.117 nan 4.420 nan 0.000 0.264 111 P C -0.393 176.900 177.300 -0.013 0.000 1.183 111 P CA 0.211 63.295 63.100 -0.027 0.000 0.763 111 P CB 0.190 31.879 31.700 -0.019 0.000 0.807 112 M N -0.203 119.407 119.600 0.018 0.000 2.773 112 M HA 0.448 4.928 4.480 0.001 0.000 0.270 112 M C -0.887 175.487 176.300 0.124 0.000 1.238 112 M CA -1.176 54.156 55.300 0.053 0.000 0.832 112 M CB 2.228 34.868 32.600 0.066 0.000 1.672 112 M HN -0.098 nan 8.290 nan 0.000 0.480 113 R N 2.120 122.708 120.500 0.147 0.000 2.351 113 R HA 0.325 4.666 4.340 0.001 0.000 0.321 113 R C -0.868 175.629 176.300 0.328 0.000 1.182 113 R CA -0.340 55.922 56.100 0.270 0.000 1.011 113 R CB 0.009 30.436 30.300 0.212 0.000 1.048 113 R HN 0.621 nan 8.270 nan 0.000 0.490 114 I N 6.762 127.596 120.570 0.439 0.000 2.533 114 I HA -0.088 4.082 4.170 0.001 0.000 0.284 114 I C 1.282 177.515 176.117 0.193 0.000 1.109 114 I CA 0.379 61.819 61.300 0.234 0.000 1.412 114 I CB 1.070 39.098 38.000 0.047 0.000 1.396 114 I HN 0.750 nan 8.210 nan 0.000 0.543 115 L N 4.868 126.218 121.223 0.210 0.000 2.425 115 L HA 0.105 4.445 4.340 0.001 0.000 0.215 115 L C 0.652 177.707 176.870 0.308 0.000 1.065 115 L CA 0.353 55.324 54.840 0.218 0.000 0.842 115 L CB 0.059 42.123 42.059 0.009 0.000 1.033 115 L HN 0.816 nan 8.230 nan 0.000 0.474 116 S N -1.375 114.492 115.700 0.278 0.000 2.627 116 S HA 0.744 5.214 4.470 0.001 0.000 0.268 116 S C -0.743 174.034 174.600 0.295 0.000 1.130 116 S CA -0.163 58.227 58.200 0.318 0.000 0.819 116 S CB 1.755 65.207 63.200 0.419 0.000 1.100 116 S HN 0.143 nan 8.310 nan 0.000 0.465 117 G N -0.386 108.572 108.800 0.263 0.000 2.519 117 G HA2 0.569 4.530 3.960 0.001 0.000 0.292 117 G HA3 0.569 4.530 3.960 0.001 0.000 0.292 117 G C -2.102 172.923 174.900 0.208 0.000 1.507 117 G CA -0.270 44.989 45.100 0.266 0.000 0.806 117 G HN 1.340 nan 8.290 nan 0.000 0.523 118 V N 0.482 120.513 119.914 0.195 0.000 2.841 118 V HA 0.664 4.784 4.120 0.001 0.000 0.310 118 V C -1.399 174.756 176.094 0.101 0.000 1.090 118 V CA -0.666 61.721 62.300 0.146 0.000 0.930 118 V CB 2.285 34.187 31.823 0.132 0.000 1.014 118 V HN 0.827 nan 8.190 nan 0.000 0.425 119 D N 1.766 122.207 120.400 0.068 0.000 2.462 119 D HA 0.314 4.954 4.640 0.001 0.000 0.245 119 D C 0.985 177.272 176.300 -0.023 0.000 1.122 119 D CA 0.063 54.088 54.000 0.041 0.000 0.864 119 D CB 1.950 42.786 40.800 0.060 0.000 1.098 119 D HN 0.675 nan 8.370 nan 0.000 0.541 120 T N 0.542 115.043 114.554 -0.088 0.000 3.113 120 T HA 0.290 4.640 4.350 0.001 0.000 0.256 120 T C 1.508 176.197 174.700 -0.019 0.000 1.131 120 T CA 0.781 62.782 62.100 -0.165 0.000 1.074 120 T CB 0.158 68.917 68.868 -0.181 0.000 0.944 120 T HN 0.587 nan 8.240 nan 0.000 0.516 121 G N 0.670 109.479 108.800 0.015 0.000 2.358 121 G HA2 -0.283 3.678 3.960 0.001 0.000 0.224 121 G HA3 -0.283 3.678 3.960 0.001 0.000 0.224 121 G C 1.034 175.954 174.900 0.032 0.000 1.073 121 G CA 0.806 45.929 45.100 0.039 0.000 0.635 121 G HN 0.933 nan 8.290 nan 0.000 0.509 122 E N -0.025 120.189 120.200 0.024 0.000 2.400 122 E HA 0.770 5.120 4.350 0.001 0.000 0.195 122 E C 1.124 177.740 176.600 0.026 0.000 1.012 122 E CA 1.968 58.382 56.400 0.024 0.000 0.875 122 E CB 0.259 29.972 29.700 0.022 0.000 0.859 122 E HN 2.415 nan 8.360 nan 0.000 0.498 123 A N -1.287 121.548 122.820 0.025 0.000 2.608 123 A HA 0.631 4.952 4.320 0.001 0.000 0.292 123 A C -1.478 176.139 177.584 0.056 0.000 1.066 123 A CA -0.224 51.837 52.037 0.041 0.000 0.676 123 A CB 1.523 20.544 19.000 0.035 0.000 1.277 123 A HN 0.470 nan 8.150 nan 0.000 0.413 124 V N 1.296 121.272 119.914 0.103 0.000 2.378 124 V HA 0.547 4.667 4.120 0.001 0.000 0.288 124 V C -0.558 175.684 176.094 0.247 0.000 1.016 124 V CA -0.470 61.928 62.300 0.163 0.000 0.840 124 V CB 1.394 33.323 31.823 0.177 0.000 0.994 124 V HN 0.737 nan 8.190 nan 0.000 0.431 125 V N 6.683 126.728 119.914 0.219 0.000 2.459 125 V HA 0.719 4.840 4.120 0.001 0.000 0.295 125 V C -0.504 175.772 176.094 0.303 0.000 1.029 125 V CA -0.535 61.869 62.300 0.174 0.000 0.874 125 V CB 1.378 33.258 31.823 0.095 0.000 0.985 125 V HN 0.819 nan 8.190 nan 0.000 0.438 126 F N 1.261 121.302 119.950 0.153 0.000 2.668 126 F HA 0.843 5.371 4.527 0.001 0.000 0.309 126 F C -0.329 175.592 175.800 0.203 0.000 1.117 126 F CA -0.832 57.269 58.000 0.168 0.000 0.951 126 F CB 1.704 40.789 39.000 0.142 0.000 1.323 126 F HN 0.460 nan 8.300 nan 0.000 0.451 127 T N -0.758 114.001 114.554 0.342 0.000 2.888 127 T HA 0.902 5.252 4.350 0.001 0.000 0.284 127 T C -0.402 174.490 174.700 0.320 0.000 1.017 127 T CA -0.407 61.819 62.100 0.210 0.000 1.022 127 T CB 1.435 70.366 68.868 0.105 0.000 1.013 127 T HN 1.506 nan 8.240 nan 0.000 0.465 128 G N -0.010 108.961 108.800 0.285 0.000 2.742 128 G HA2 0.704 4.665 3.960 0.001 0.000 0.296 128 G HA3 0.704 4.665 3.960 0.001 0.000 0.296 128 G C -1.427 173.584 174.900 0.186 0.000 1.436 128 G CA -0.686 44.602 45.100 0.313 0.000 0.928 128 G HN 1.075 nan 8.290 nan 0.000 0.520 129 A N 0.793 123.678 122.820 0.108 0.000 2.331 129 A HA 0.949 5.269 4.320 0.001 0.000 0.320 129 A C 0.410 178.028 177.584 0.057 0.000 1.138 129 A CA 0.104 52.149 52.037 0.013 0.000 0.790 129 A CB 1.439 20.373 19.000 -0.109 0.000 1.206 129 A HN 1.707 nan 8.150 nan 0.000 0.470 130 T N -1.689 112.890 114.554 0.041 0.000 2.724 130 T HA 0.458 4.808 4.350 0.001 0.000 0.274 130 T C 0.612 175.320 174.700 0.013 0.000 0.984 130 T CA -0.290 61.833 62.100 0.039 0.000 1.024 130 T CB 0.997 69.898 68.868 0.055 0.000 1.320 130 T HN 0.389 nan 8.240 nan 0.000 0.555 131 E N 0.778 120.983 120.200 0.008 0.000 2.268 131 E HA -0.117 4.234 4.350 0.001 0.000 0.195 131 E C 1.085 177.676 176.600 -0.015 0.000 0.995 131 E CA 1.505 57.901 56.400 -0.006 0.000 0.836 131 E CB -0.030 29.665 29.700 -0.007 0.000 0.763 131 E HN 0.798 nan 8.360 nan 0.000 0.491 132 D N -1.072 119.322 120.400 -0.009 0.000 2.498 132 D HA -0.018 4.622 4.640 0.001 0.000 0.223 132 D C 0.575 176.861 176.300 -0.023 0.000 1.125 132 D CA -0.151 53.839 54.000 -0.015 0.000 0.835 132 D CB 0.431 41.227 40.800 -0.008 0.000 1.086 132 D HN 0.060 nan 8.370 nan 0.000 0.510 133 R N -0.298 120.190 120.500 -0.021 0.000 2.634 133 R HA 0.534 4.875 4.340 0.001 0.000 0.263 133 R C -1.864 174.407 176.300 -0.047 0.000 1.060 133 R CA -0.833 55.243 56.100 -0.039 0.000 0.898 133 R CB 1.235 31.516 30.300 -0.032 0.000 1.253 133 R HN -0.173 nan 8.270 nan 0.000 0.461 134 V N 0.892 120.750 119.914 -0.094 0.000 2.612 134 V HA 0.922 5.042 4.120 0.001 0.000 0.301 134 V C -0.000 175.998 176.094 -0.160 0.000 1.046 134 V CA -0.269 61.962 62.300 -0.114 0.000 0.946 134 V CB 1.295 33.024 31.823 -0.157 0.000 1.003 134 V HN 1.041 nan 8.190 nan 0.000 0.459 135 A N 3.421 126.124 122.820 -0.195 0.000 2.594 135 A HA 0.733 5.054 4.320 0.001 0.000 0.296 135 A C -1.655 175.619 177.584 -0.517 0.000 1.061 135 A CA -0.550 51.225 52.037 -0.437 0.000 0.689 135 A CB 1.502 20.089 19.000 -0.688 0.000 1.280 135 A HN 0.888 nan 8.150 nan 0.000 0.406 136 L N 1.874 122.772 121.223 -0.542 0.000 2.264 136 L HA 0.726 5.067 4.340 0.001 0.000 0.289 136 L C -1.364 175.134 176.870 -0.619 0.000 1.044 136 L CA -0.032 54.564 54.840 -0.407 0.000 0.807 136 L CB -0.139 41.791 42.059 -0.214 0.000 1.192 136 L HN 0.593 nan 8.230 nan 0.000 0.425 137 Y N 3.577 123.589 120.300 -0.479 0.000 2.528 137 Y HA 0.820 5.371 4.550 0.001 0.000 0.335 137 Y C 0.197 175.780 175.900 -0.528 0.000 1.093 137 Y CA -0.631 57.110 58.100 -0.598 0.000 1.134 137 Y CB 2.017 39.862 38.460 -1.025 0.000 1.253 137 Y HN 0.708 nan 8.280 nan 0.000 0.478 138 A N 2.212 124.964 122.820 -0.113 0.000 2.398 138 A HA 0.701 5.022 4.320 0.001 0.000 0.301 138 A C -2.239 175.384 177.584 0.065 0.000 1.041 138 A CA -0.564 51.461 52.037 -0.021 0.000 0.711 138 A CB 1.265 20.261 19.000 -0.006 0.000 1.240 138 A HN 0.620 nan 8.150 nan 0.000 0.420 139 L N 3.152 124.456 121.223 0.136 0.000 2.349 139 L HA 0.820 5.160 4.340 0.001 0.000 0.278 139 L C -1.067 175.858 176.870 0.092 0.000 0.996 139 L CA -0.209 54.715 54.840 0.140 0.000 0.825 139 L CB 1.498 43.689 42.059 0.220 0.000 1.243 139 L HN 0.860 nan 8.230 nan 0.000 0.412 140 D N 2.414 122.851 120.400 0.062 0.000 2.781 140 D HA 0.398 5.039 4.640 0.001 0.000 0.295 140 D C 0.915 177.235 176.300 0.033 0.000 1.143 140 D CA -0.119 53.907 54.000 0.044 0.000 1.076 140 D CB 0.513 41.335 40.800 0.036 0.000 1.444 140 D HN 0.470 nan 8.370 nan 0.000 0.567 141 G N -0.901 107.914 108.800 0.026 0.000 2.507 141 G HA2 -0.100 3.860 3.960 0.001 0.000 0.221 141 G HA3 -0.100 3.860 3.960 0.001 0.000 0.221 141 G C 1.142 176.053 174.900 0.017 0.000 1.119 141 G CA 0.860 45.972 45.100 0.019 0.000 0.751 141 G HN 0.680 nan 8.290 nan 0.000 0.574 142 G N -0.235 108.576 108.800 0.019 0.000 3.379 142 G HA2 0.509 4.469 3.960 0.001 0.000 0.253 142 G HA3 0.509 4.469 3.960 0.001 0.000 0.253 142 G C 0.872 175.783 174.900 0.019 0.000 1.262 142 G CA 0.473 45.583 45.100 0.017 0.000 0.959 142 G HN 1.259 nan 8.290 nan 0.000 0.524 143 G N -0.619 108.194 108.800 0.023 0.000 2.660 143 G HA2 0.020 3.980 3.960 0.001 0.000 0.215 143 G HA3 0.020 3.980 3.960 0.001 0.000 0.215 143 G C -0.594 174.331 174.900 0.041 0.000 1.345 143 G CA -0.257 44.859 45.100 0.026 0.000 0.877 143 G HN 0.932 nan 8.290 nan 0.000 0.549 144 L N 0.334 121.583 121.223 0.044 0.000 2.325 144 L HA 0.899 5.239 4.340 0.001 0.000 0.279 144 L C 0.577 177.487 176.870 0.065 0.000 1.054 144 L CA -0.453 54.427 54.840 0.066 0.000 0.804 144 L CB 1.248 43.344 42.059 0.061 0.000 1.200 144 L HN 0.749 nan 8.230 nan 0.000 0.436 145 R N 2.950 123.499 120.500 0.081 0.000 2.621 145 R HA 0.303 4.644 4.340 0.001 0.000 0.284 145 R C -1.256 175.096 176.300 0.087 0.000 0.998 145 R CA -0.728 55.411 56.100 0.064 0.000 0.895 145 R CB 1.875 32.190 30.300 0.024 0.000 1.195 145 R HN 0.659 nan 8.270 nan 0.000 0.450 146 E N 4.109 124.342 120.200 0.055 0.000 2.052 146 E HA 0.070 4.420 4.350 0.001 0.000 0.283 146 E C 0.583 177.091 176.600 -0.153 0.000 1.071 146 E CA -0.112 56.224 56.400 -0.106 0.000 0.851 146 E CB 0.665 30.303 29.700 -0.104 0.000 1.066 146 E HN 0.543 nan 8.360 nan 0.000 0.396 147 L N 3.194 124.295 121.223 -0.203 0.000 2.109 147 L HA 0.107 4.448 4.340 0.001 0.000 0.207 147 L C 0.755 177.522 176.870 -0.172 0.000 1.086 147 L CA 0.822 55.572 54.840 -0.149 0.000 0.760 147 L CB -0.119 41.867 42.059 -0.122 0.000 0.910 147 L HN 0.555 nan 8.230 nan 0.000 0.437 148 A N -1.273 121.392 122.820 -0.258 0.000 2.583 148 A HA 0.406 4.727 4.320 0.001 0.000 0.298 148 A C -0.929 176.457 177.584 -0.330 0.000 1.055 148 A CA -0.544 51.339 52.037 -0.258 0.000 0.714 148 A CB 1.113 19.968 19.000 -0.241 0.000 1.277 148 A HN -0.129 nan 8.150 nan 0.000 0.406 149 R N 1.899 122.230 120.500 -0.282 0.000 2.298 149 R HA 0.642 4.982 4.340 0.001 0.000 0.310 149 R C -0.743 175.365 176.300 -0.320 0.000 1.068 149 R CA -0.111 55.824 56.100 -0.275 0.000 0.957 149 R CB -0.434 29.745 30.300 -0.202 0.000 1.003 149 R HN 0.654 nan 8.270 nan 0.000 0.454 150 L N 6.470 127.495 121.223 -0.330 0.000 2.309 150 L HA 0.527 4.868 4.340 0.001 0.000 0.282 150 L C -1.640 175.033 176.870 -0.327 0.000 1.036 150 L CA -2.318 52.271 54.840 -0.417 0.000 0.806 150 L CB 2.189 44.056 42.059 -0.320 0.000 1.220 150 L HN 0.568 nan 8.230 nan 0.000 0.429 151 P HA 0.251 nan 4.420 nan 0.000 0.220 151 P C 0.051 177.412 177.300 0.101 0.000 1.806 151 P CA 0.152 63.114 63.100 -0.228 0.000 0.976 151 P CB 0.439 31.963 31.700 -0.294 0.000 1.952 152 G N 0.901 109.808 108.800 0.180 0.000 2.347 152 G HA2 -0.021 3.939 3.960 0.001 0.000 0.477 152 G HA3 -0.021 3.939 3.960 0.001 0.000 0.477 152 G C -1.088 174.006 174.900 0.324 0.000 1.349 152 G CA -1.190 44.116 45.100 0.344 0.000 1.000 152 G HN 0.016 nan 8.290 nan 0.000 0.605 153 F N 0.703 120.775 119.950 0.203 0.000 2.568 153 F HA 0.339 4.867 4.527 0.001 0.000 0.394 153 F C 1.534 177.398 175.800 0.108 0.000 1.032 153 F CA 2.189 60.209 58.000 0.033 0.000 1.242 153 F CB 0.662 39.701 39.000 0.065 0.000 0.966 153 F HN 0.805 nan 8.300 nan 0.000 0.560 154 G N 3.377 112.145 108.800 -0.054 0.000 2.620 154 G HA2 0.684 4.644 3.960 0.001 0.000 0.301 154 G HA3 0.684 4.644 3.960 0.001 0.000 0.301 154 G C -2.009 172.735 174.900 -0.260 0.000 1.347 154 G CA -0.672 44.504 45.100 0.127 0.000 0.971 154 G HN 0.353 nan 8.290 nan 0.000 0.488 155 F N 0.792 121.036 119.950 0.489 0.000 2.557 155 F HA 0.422 4.949 4.527 0.001 0.000 0.316 155 F C 0.166 176.112 175.800 0.244 0.000 1.141 155 F CA -0.979 57.221 58.000 0.332 0.000 0.922 155 F CB 2.500 41.659 39.000 0.265 0.000 1.194 155 F HN 0.267 nan 8.300 nan 0.000 0.443 156 V N 2.942 123.076 119.914 0.367 0.000 2.508 156 V HA 0.130 4.250 4.120 0.001 0.000 0.281 156 V C 0.419 176.623 176.094 0.183 0.000 1.041 156 V CA 0.408 62.843 62.300 0.225 0.000 1.016 156 V CB 1.051 33.012 31.823 0.231 0.000 0.984 156 V HN 0.999 nan 8.190 nan 0.000 0.478 157 S N 2.716 118.459 115.700 0.071 0.000 2.452 157 S HA 0.134 4.605 4.470 0.001 0.000 0.225 157 S C 0.276 174.944 174.600 0.113 0.000 1.057 157 S CA 0.236 58.485 58.200 0.081 0.000 0.949 157 S CB 0.171 63.361 63.200 -0.016 0.000 0.836 157 S HN 0.893 nan 8.310 nan 0.000 0.518 158 D N -1.117 119.335 120.400 0.088 0.000 2.622 158 D HA 0.551 5.191 4.640 0.001 0.000 0.255 158 D C -1.869 174.520 176.300 0.147 0.000 1.246 158 D CA -0.487 53.607 54.000 0.156 0.000 0.795 158 D CB 1.365 42.230 40.800 0.109 0.000 1.369 158 D HN 0.029 nan 8.370 nan 0.000 0.425 159 I N 1.225 121.941 120.570 0.243 0.000 2.607 159 I HA 0.466 4.636 4.170 0.001 0.000 0.290 159 I C -0.735 175.527 176.117 0.243 0.000 1.129 159 I CA -0.775 60.616 61.300 0.152 0.000 1.042 159 I CB 2.388 40.402 38.000 0.023 0.000 1.242 159 I HN 0.134 nan 8.210 nan 0.000 0.421 160 R N 3.868 124.446 120.500 0.130 0.000 2.515 160 R HA 0.571 4.912 4.340 0.001 0.000 0.291 160 R C 0.491 176.826 176.300 0.059 0.000 1.046 160 R CA 0.382 56.552 56.100 0.117 0.000 0.914 160 R CB 1.892 32.225 30.300 0.054 0.000 1.191 160 R HN 0.928 nan 8.270 nan 0.000 0.435 161 G N 3.710 112.546 108.800 0.059 0.000 2.665 161 G HA2 -0.396 3.564 3.960 0.001 0.000 0.326 161 G HA3 -0.396 3.564 3.960 0.001 0.000 0.326 161 G C 0.302 175.219 174.900 0.028 0.000 1.231 161 G CA 0.829 45.950 45.100 0.035 0.000 0.992 161 G HN 0.671 nan 8.290 nan 0.000 0.549 162 D N 0.066 120.480 120.400 0.023 0.000 2.389 162 D HA 0.263 4.903 4.640 0.001 0.000 0.206 162 D C 0.992 177.309 176.300 0.028 0.000 1.055 162 D CA -0.145 53.868 54.000 0.022 0.000 0.856 162 D CB 0.147 40.958 40.800 0.019 0.000 0.957 162 D HN 0.264 nan 8.370 nan 0.000 0.509 163 L N 1.552 122.791 121.223 0.026 0.000 2.367 163 L HA 0.281 4.622 4.340 0.001 0.000 0.275 163 L C -0.441 176.451 176.870 0.037 0.000 1.129 163 L CA 0.129 54.986 54.840 0.028 0.000 0.839 163 L CB 0.313 42.376 42.059 0.008 0.000 1.133 163 L HN -0.145 nan 8.230 nan 0.000 0.453 164 I N 5.019 125.619 120.570 0.050 0.000 2.433 164 I HA 0.634 4.804 4.170 0.001 0.000 0.292 164 I C -0.273 175.856 176.117 0.020 0.000 1.001 164 I CA -0.586 60.748 61.300 0.057 0.000 1.119 164 I CB 1.784 39.843 38.000 0.098 0.000 1.289 164 I HN 0.754 nan 8.210 nan 0.000 0.438 165 A N 4.382 127.172 122.820 -0.049 0.000 2.343 165 A HA 0.937 5.257 4.320 0.001 0.000 0.316 165 A C -0.283 177.101 177.584 -0.334 0.000 1.104 165 A CA -0.448 51.479 52.037 -0.182 0.000 0.768 165 A CB 1.481 20.393 19.000 -0.146 0.000 1.213 165 A HN 0.847 nan 8.150 nan 0.000 0.456 166 G N 0.232 108.568 108.800 -0.773 0.000 2.725 166 G HA2 0.621 4.581 3.960 0.001 0.000 0.288 166 G HA3 0.621 4.581 3.960 0.001 0.000 0.288 166 G C -1.529 172.869 174.900 -0.838 0.000 1.399 166 G CA -0.637 43.830 45.100 -1.056 0.000 0.859 166 G HN 0.700 nan 8.290 nan 0.000 0.479 167 L N -0.181 120.885 121.223 -0.262 0.000 2.354 167 L HA 0.813 5.153 4.340 0.001 0.000 0.269 167 L C 0.236 177.298 176.870 0.321 0.000 1.005 167 L CA -0.884 53.977 54.840 0.035 0.000 0.819 167 L CB 2.611 44.719 42.059 0.081 0.000 1.311 167 L HN 0.785 nan 8.230 nan 0.000 0.423 168 G N 1.135 109.923 108.800 -0.020 0.000 2.732 168 G HA2 0.534 4.495 3.960 0.001 0.000 0.295 168 G HA3 0.534 4.495 3.960 0.001 0.000 0.295 168 G C -1.379 172.989 174.900 -0.887 0.000 1.456 168 G CA -0.305 44.385 45.100 -0.685 0.000 1.050 168 G HN 0.286 nan 8.290 nan 0.000 0.525 169 F N 2.878 122.613 119.950 -0.358 0.000 2.541 169 F HA 0.340 4.867 4.527 0.001 0.000 0.351 169 F C 0.701 176.578 175.800 0.127 0.000 1.209 169 F CA -0.665 57.340 58.000 0.007 0.000 1.277 169 F CB 0.086 39.300 39.000 0.356 0.000 1.632 169 F HN 0.494 nan 8.300 nan 0.000 0.619 170 F N 0.599 120.730 119.950 0.301 0.000 2.664 170 F HA 0.451 4.978 4.527 0.001 0.000 0.303 170 F C 1.157 177.052 175.800 0.158 0.000 1.092 170 F CA -0.379 57.746 58.000 0.207 0.000 1.305 170 F CB 0.466 39.550 39.000 0.140 0.000 1.054 170 F HN 0.343 nan 8.300 nan 0.000 0.565 171 G N -0.989 107.987 108.800 0.294 0.000 2.308 171 G HA2 0.358 4.318 3.960 0.001 0.000 0.288 171 G HA3 0.358 4.318 3.960 0.001 0.000 0.288 171 G C 0.201 175.180 174.900 0.133 0.000 1.722 171 G CA -0.331 44.883 45.100 0.190 0.000 0.924 171 G HN 0.404 nan 8.290 nan 0.000 0.732 172 G N -0.383 108.474 108.800 0.095 0.000 2.166 172 G HA2 0.264 4.225 3.960 0.001 0.000 0.260 172 G HA3 0.264 4.225 3.960 0.001 0.000 0.260 172 G C 2.131 177.082 174.900 0.086 0.000 0.986 172 G CA 1.402 46.541 45.100 0.066 0.000 0.683 172 G HN 2.924 nan 8.290 nan 0.000 0.527 173 G N -1.270 107.621 108.800 0.150 0.000 2.189 173 G HA2 -0.346 3.614 3.960 0.001 0.000 0.267 173 G HA3 -0.346 3.614 3.960 0.001 0.000 0.267 173 G C 0.557 175.489 174.900 0.052 0.000 0.975 173 G CA 1.236 46.492 45.100 0.259 0.000 0.644 173 G HN 1.035 nan 8.290 nan 0.000 0.537 174 R N -0.282 120.220 120.500 0.004 0.000 2.543 174 R HA 0.442 4.782 4.340 0.001 0.000 0.277 174 R C 0.115 176.272 176.300 -0.240 0.000 1.074 174 R CA -0.277 55.763 56.100 -0.101 0.000 1.076 174 R CB 1.221 31.504 30.300 -0.028 0.000 0.993 174 R HN 0.088 nan 8.270 nan 0.000 0.459 175 V N 2.646 122.342 119.914 -0.362 0.000 2.383 175 V HA 0.154 4.274 4.120 0.001 0.000 0.275 175 V C 0.141 176.183 176.094 -0.087 0.000 1.036 175 V CA -0.345 61.673 62.300 -0.471 0.000 0.889 175 V CB 1.428 32.900 31.823 -0.585 0.000 0.985 175 V HN 0.764 nan 8.190 nan 0.000 0.459 176 S N 4.437 120.094 115.700 -0.072 0.000 2.646 176 S HA 0.666 5.136 4.470 0.001 0.000 0.276 176 S C -0.379 174.297 174.600 0.128 0.000 1.222 176 S CA -0.459 57.848 58.200 0.177 0.000 1.014 176 S CB 1.582 64.930 63.200 0.247 0.000 0.991 176 S HN 0.549 nan 8.310 nan 0.000 0.533 177 L N 2.852 124.098 121.223 0.038 0.000 2.325 177 L HA 0.711 5.051 4.340 0.001 0.000 0.279 177 L C -0.894 176.145 176.870 0.281 0.000 1.054 177 L CA -0.257 54.472 54.840 -0.185 0.000 0.804 177 L CB 0.456 42.001 42.059 -0.855 0.000 1.200 177 L HN 0.636 nan 8.230 nan 0.000 0.436 178 F N 1.271 121.337 119.950 0.193 0.000 2.603 178 F HA 0.927 5.455 4.527 0.001 0.000 0.317 178 F C -0.622 175.314 175.800 0.227 0.000 1.066 178 F CA -0.409 57.778 58.000 0.311 0.000 0.941 178 F CB 1.553 40.745 39.000 0.320 0.000 1.291 178 F HN 0.595 nan 8.300 nan 0.000 0.472 179 T N -0.844 114.051 114.554 0.568 0.000 2.896 179 T HA 0.776 5.127 4.350 0.001 0.000 0.297 179 T C -1.089 173.819 174.700 0.345 0.000 1.108 179 T CA -0.594 61.715 62.100 0.348 0.000 1.004 179 T CB 1.483 70.491 68.868 0.233 0.000 1.159 179 T HN 1.124 nan 8.240 nan 0.000 0.499 180 S N 0.459 116.295 115.700 0.227 0.000 2.643 180 S HA 0.558 5.029 4.470 0.001 0.000 0.270 180 S C -1.935 172.719 174.600 0.090 0.000 1.166 180 S CA -0.847 57.440 58.200 0.145 0.000 0.815 180 S CB 1.704 64.988 63.200 0.140 0.000 1.139 180 S HN 0.952 nan 8.310 nan 0.000 0.472 181 N N 1.877 120.609 118.700 0.054 0.000 2.372 181 N HA 0.293 5.033 4.740 0.001 0.000 0.291 181 N C 0.537 176.062 175.510 0.024 0.000 1.024 181 N CA -0.469 52.602 53.050 0.036 0.000 0.873 181 N CB 1.615 40.117 38.487 0.025 0.000 1.206 181 N HN 0.555 nan 8.380 nan 0.000 0.486 182 L N 3.946 125.183 121.223 0.024 0.000 2.131 182 L HA -0.092 4.249 4.340 0.001 0.000 0.210 182 L C 1.902 178.778 176.870 0.010 0.000 1.092 182 L CA 1.934 56.785 54.840 0.017 0.000 0.759 182 L CB -0.594 41.476 42.059 0.018 0.000 0.903 182 L HN 0.712 nan 8.230 nan 0.000 0.435 183 S N -2.277 113.429 115.700 0.010 0.000 2.452 183 S HA -0.024 4.447 4.470 0.001 0.000 0.225 183 S C 1.837 176.438 174.600 0.001 0.000 1.057 183 S CA 0.522 58.725 58.200 0.006 0.000 0.949 183 S CB -0.666 62.539 63.200 0.008 0.000 0.836 183 S HN 0.539 nan 8.310 nan 0.000 0.518 184 S N 1.212 116.913 115.700 0.001 0.000 2.528 184 S HA 0.484 4.955 4.470 0.001 0.000 0.219 184 S C 1.429 176.022 174.600 -0.012 0.000 0.985 184 S CA 0.470 58.667 58.200 -0.004 0.000 0.914 184 S CB -0.762 62.437 63.200 -0.001 0.000 0.776 184 S HN 1.265 nan 8.310 nan 0.000 0.526 185 G N 1.074 109.867 108.800 -0.012 0.000 2.509 185 G HA2 0.278 4.238 3.960 0.001 0.000 0.259 185 G HA3 0.278 4.238 3.960 0.001 0.000 0.259 185 G C 0.574 175.461 174.900 -0.022 0.000 1.169 185 G CA -0.158 44.926 45.100 -0.026 0.000 0.953 185 G HN 2.097 nan 8.290 nan 0.000 0.563 186 G N -2.126 106.647 108.800 -0.045 0.000 2.728 186 G HA2 0.427 4.388 3.960 0.001 0.000 0.294 186 G HA3 0.427 4.388 3.960 0.001 0.000 0.294 186 G C -0.744 174.126 174.900 -0.050 0.000 1.342 186 G CA 0.365 45.437 45.100 -0.046 0.000 0.866 186 G HN 2.356 nan 8.290 nan 0.000 0.534 187 L N -0.661 120.530 121.223 -0.052 0.000 2.676 187 L HA 0.833 5.174 4.340 0.001 0.000 0.262 187 L C 0.091 176.932 176.870 -0.048 0.000 0.932 187 L CA 0.672 55.479 54.840 -0.055 0.000 0.932 187 L CB 1.288 43.244 42.059 -0.170 0.000 1.355 187 L HN 1.914 nan 8.230 nan 0.000 0.421 188 R N 3.538 124.051 120.500 0.023 0.000 2.445 188 R HA 0.934 5.274 4.340 0.001 0.000 0.308 188 R C -1.498 174.706 176.300 -0.159 0.000 0.961 188 R CA -0.277 55.748 56.100 -0.124 0.000 0.862 188 R CB 1.636 31.883 30.300 -0.088 0.000 1.144 188 R HN 0.444 nan 8.270 nan 0.000 0.447 189 V N 2.638 122.329 119.914 -0.372 0.000 2.555 189 V HA 0.754 4.875 4.120 0.001 0.000 0.302 189 V C -1.105 174.702 176.094 -0.479 0.000 1.038 189 V CA -0.871 61.334 62.300 -0.159 0.000 0.887 189 V CB 1.561 33.403 31.823 0.032 0.000 0.991 189 V HN 0.766 nan 8.190 nan 0.000 0.434 190 F N 2.102 122.121 119.950 0.115 0.000 2.496 190 F HA 0.524 5.052 4.527 0.001 0.000 0.341 190 F C 0.138 176.053 175.800 0.192 0.000 1.134 190 F CA -0.833 57.219 58.000 0.087 0.000 0.968 190 F CB 1.333 40.313 39.000 -0.034 0.000 1.205 190 F HN 0.404 nan 8.300 nan 0.000 0.436 191 D N 1.066 121.665 120.400 0.333 0.000 2.217 191 D HA 0.309 4.949 4.640 0.001 0.000 0.248 191 D C -0.653 175.837 176.300 0.317 0.000 1.008 191 D CA -0.297 53.894 54.000 0.317 0.000 0.914 191 D CB 2.355 43.266 40.800 0.185 0.000 1.182 191 D HN 0.371 nan 8.370 nan 0.000 0.451 192 S N -0.647 115.180 115.700 0.211 0.000 2.472 192 S HA 0.488 4.958 4.470 0.001 0.000 0.303 192 S C 1.072 175.678 174.600 0.010 0.000 1.099 192 S CA -0.646 57.586 58.200 0.054 0.000 1.077 192 S CB 1.446 64.534 63.200 -0.188 0.000 1.031 192 S HN 0.486 nan 8.310 nan 0.000 0.487 193 G N 2.119 110.928 108.800 0.015 0.000 2.511 193 G HA2 0.028 3.988 3.960 0.001 0.000 0.217 193 G HA3 0.028 3.988 3.960 0.001 0.000 0.217 193 G C 1.174 176.061 174.900 -0.023 0.000 1.133 193 G CA 0.904 46.006 45.100 0.004 0.000 0.792 193 G HN 0.841 nan 8.290 nan 0.000 0.539 194 E N -0.165 120.007 120.200 -0.048 0.000 2.216 194 E HA 0.438 4.788 4.350 0.001 0.000 0.192 194 E C 1.343 177.886 176.600 -0.096 0.000 0.988 194 E CA 1.440 57.801 56.400 -0.065 0.000 0.834 194 E CB -0.217 29.440 29.700 -0.071 0.000 0.772 194 E HN 0.845 nan 8.360 nan 0.000 0.479 195 G N -1.779 106.933 108.800 -0.147 0.000 2.435 195 G HA2 0.429 4.389 3.960 0.001 0.000 0.228 195 G HA3 0.429 4.389 3.960 0.001 0.000 0.228 195 G C -0.908 173.842 174.900 -0.251 0.000 1.198 195 G CA 0.241 45.237 45.100 -0.174 0.000 0.948 195 G HN 0.430 nan 8.290 nan 0.000 0.487 196 S N -0.592 114.937 115.700 -0.285 0.000 2.536 196 S HA 0.770 5.241 4.470 0.001 0.000 0.298 196 S C -1.152 173.231 174.600 -0.361 0.000 1.083 196 S CA -0.375 57.653 58.200 -0.285 0.000 0.995 196 S CB 1.260 64.322 63.200 -0.230 0.000 1.058 196 S HN 0.387 nan 8.310 nan 0.000 0.488 197 F N 0.925 120.802 119.950 -0.122 0.000 2.375 197 F HA 0.424 4.951 4.527 0.001 0.000 0.333 197 F C 1.582 177.307 175.800 -0.126 0.000 1.104 197 F CA 0.003 57.941 58.000 -0.104 0.000 1.149 197 F CB 1.516 40.462 39.000 -0.089 0.000 1.190 197 F HN 0.601 nan 8.300 nan 0.000 0.533 198 S N -0.085 115.676 115.700 0.102 0.000 2.891 198 S HA 0.269 4.739 4.470 0.001 0.000 0.247 198 S C 0.086 174.698 174.600 0.020 0.000 1.063 198 S CA 0.172 58.386 58.200 0.024 0.000 0.857 198 S CB 0.214 63.424 63.200 0.015 0.000 0.800 198 S HN 0.501 nan 8.310 nan 0.000 0.540 199 S N 0.080 115.782 115.700 0.002 0.000 2.569 199 S HA 0.843 5.313 4.470 0.001 0.000 0.280 199 S C -1.310 173.233 174.600 -0.095 0.000 1.111 199 S CA -0.384 57.776 58.200 -0.067 0.000 0.887 199 S CB 1.858 64.963 63.200 -0.159 0.000 1.095 199 S HN 0.580 nan 8.310 nan 0.000 0.476 200 A N 1.361 124.103 122.820 -0.130 0.000 2.386 200 A HA 0.893 5.214 4.320 0.001 0.000 0.311 200 A C -0.593 176.906 177.584 -0.141 0.000 1.068 200 A CA -0.620 51.331 52.037 -0.143 0.000 0.743 200 A CB 1.754 20.652 19.000 -0.169 0.000 1.258 200 A HN 0.577 nan 8.150 nan 0.000 0.429 201 S N 0.916 116.558 115.700 -0.097 0.000 2.540 201 S HA 0.635 5.105 4.470 0.001 0.000 0.275 201 S C -1.051 173.583 174.600 0.057 0.000 1.123 201 S CA -0.452 57.748 58.200 0.000 0.000 0.907 201 S CB 0.726 63.934 63.200 0.013 0.000 1.081 201 S HN 0.566 nan 8.310 nan 0.000 0.476 202 I N 3.887 124.468 120.570 0.017 0.000 2.325 202 I HA 0.259 4.429 4.170 0.001 0.000 0.291 202 I C 0.820 176.758 176.117 -0.298 0.000 1.019 202 I CA -0.252 60.994 61.300 -0.090 0.000 1.302 202 I CB 1.469 39.434 38.000 -0.058 0.000 1.401 202 I HN 0.674 nan 8.210 nan 0.000 0.485 203 S N 6.451 121.868 115.700 -0.472 0.000 2.600 203 S HA 0.289 4.760 4.470 0.001 0.000 0.265 203 S C -1.799 172.494 174.600 -0.512 0.000 1.325 203 S CA -1.056 56.597 58.200 -0.912 0.000 1.002 203 S CB 0.917 63.760 63.200 -0.594 0.000 0.921 203 S HN 0.381 nan 8.310 nan 0.000 0.554 204 P HA 0.018 nan 4.420 nan 0.000 0.218 204 P C 1.124 178.325 177.300 -0.165 0.000 1.146 204 P CA 1.491 64.446 63.100 -0.241 0.000 0.813 204 P CB -0.361 31.227 31.700 -0.187 0.000 0.778 205 G N -1.636 107.060 108.800 -0.173 0.000 3.314 205 G HA2 0.094 4.054 3.960 0.001 0.000 0.238 205 G HA3 0.094 4.054 3.960 0.001 0.000 0.238 205 G C 0.437 175.273 174.900 -0.106 0.000 1.184 205 G CA -0.161 44.871 45.100 -0.113 0.000 0.806 205 G HN -0.027 nan 8.290 nan 0.000 0.536 206 M N -0.331 119.192 119.600 -0.127 0.000 2.537 206 M HA -0.129 4.351 4.480 0.001 0.000 0.205 206 M C -0.387 175.852 176.300 -0.100 0.000 0.450 206 M CA 1.036 56.276 55.300 -0.099 0.000 0.553 206 M CB -2.124 30.439 32.600 -0.062 0.000 2.046 206 M HN 0.256 nan 8.290 nan 0.000 0.797 207 K N 0.113 120.437 120.400 -0.126 0.000 2.203 207 K HA 0.721 5.041 4.320 0.001 0.000 0.251 207 K C 0.075 176.595 176.600 -0.134 0.000 0.944 207 K CA -0.763 55.453 56.287 -0.120 0.000 0.829 207 K CB 2.440 34.881 32.500 -0.098 0.000 1.125 207 K HN 0.013 nan 8.250 nan 0.000 0.430 208 V N 2.500 122.320 119.914 -0.155 0.000 2.408 208 V HA 0.082 4.203 4.120 0.001 0.000 0.267 208 V C 0.183 176.210 176.094 -0.111 0.000 1.047 208 V CA -0.366 61.841 62.300 -0.156 0.000 0.937 208 V CB 0.694 32.365 31.823 -0.253 0.000 0.999 208 V HN 0.672 nan 8.190 nan 0.000 0.472 209 T N 5.375 119.916 114.554 -0.023 0.000 2.761 209 T HA 0.608 4.958 4.350 0.001 0.000 0.296 209 T C 0.232 174.898 174.700 -0.058 0.000 0.934 209 T CA -0.031 62.068 62.100 -0.001 0.000 1.091 209 T CB 0.959 69.890 68.868 0.105 0.000 0.896 209 T HN 0.931 nan 8.240 nan 0.000 0.515 210 A N 2.846 125.645 122.820 -0.035 0.000 2.435 210 A HA 0.849 5.170 4.320 0.001 0.000 0.304 210 A C 0.421 178.041 177.584 0.059 0.000 1.064 210 A CA -0.834 51.212 52.037 0.015 0.000 0.727 210 A CB 1.339 20.385 19.000 0.078 0.000 1.284 210 A HN 0.911 nan 8.150 nan 0.000 0.415 211 G N -0.303 108.522 108.800 0.042 0.000 2.467 211 G HA2 0.530 4.490 3.960 0.001 0.000 0.257 211 G HA3 0.530 4.490 3.960 0.001 0.000 0.257 211 G C -0.914 174.022 174.900 0.059 0.000 1.227 211 G CA -0.071 45.051 45.100 0.038 0.000 0.835 211 G HN 1.153 nan 8.290 nan 0.000 0.556 212 L N 0.526 121.730 121.223 -0.031 0.000 2.441 212 L HA 0.470 4.811 4.340 0.001 0.000 0.270 212 L C -0.544 176.241 176.870 -0.141 0.000 0.973 212 L CA -0.622 54.098 54.840 -0.200 0.000 0.842 212 L CB 1.954 43.855 42.059 -0.263 0.000 1.239 212 L HN 0.600 nan 8.230 nan 0.000 0.406 213 E N 3.620 123.722 120.200 -0.165 0.000 2.055 213 E HA 0.409 4.760 4.350 0.001 0.000 0.274 213 E C -0.223 176.309 176.600 -0.113 0.000 0.949 213 E CA -0.368 55.971 56.400 -0.101 0.000 0.775 213 E CB 1.034 30.687 29.700 -0.078 0.000 1.097 213 E HN 0.749 nan 8.360 nan 0.000 0.404 214 T N -0.808 113.696 114.554 -0.083 0.000 2.867 214 T HA 0.437 4.787 4.350 0.001 0.000 0.286 214 T C 1.548 176.231 174.700 -0.029 0.000 1.022 214 T CA -0.111 61.948 62.100 -0.068 0.000 0.933 214 T CB 1.144 69.975 68.868 -0.062 0.000 1.280 214 T HN 0.309 nan 8.240 nan 0.000 0.566 215 A N 1.113 123.924 122.820 -0.014 0.000 1.894 215 A HA -0.181 4.140 4.320 0.001 0.000 0.220 215 A C 2.102 179.711 177.584 0.041 0.000 1.237 215 A CA 1.955 54.002 52.037 0.018 0.000 0.660 215 A CB -0.735 18.274 19.000 0.015 0.000 0.835 215 A HN 0.854 nan 8.150 nan 0.000 0.461 216 R N -1.293 119.218 120.500 0.019 0.000 2.544 216 R HA 0.300 4.640 4.340 0.001 0.000 0.426 216 R C -1.083 175.213 176.300 -0.007 0.000 0.943 216 R CA -0.043 56.072 56.100 0.025 0.000 1.162 216 R CB 0.579 30.889 30.300 0.016 0.000 1.588 216 R HN 0.505 nan 8.270 nan 0.000 0.563 217 E N 0.540 120.727 120.200 -0.022 0.000 2.446 217 E HA 0.766 5.116 4.350 0.001 0.000 0.276 217 E C -1.330 175.246 176.600 -0.041 0.000 0.969 217 E CA -0.939 55.433 56.400 -0.046 0.000 0.800 217 E CB 1.504 31.172 29.700 -0.054 0.000 1.341 217 E HN 0.157 nan 8.360 nan 0.000 0.460 218 A N 0.591 123.384 122.820 -0.044 0.000 2.498 218 A HA 0.958 5.278 4.320 0.001 0.000 0.298 218 A C -1.068 176.532 177.584 0.027 0.000 1.075 218 A CA -0.788 51.243 52.037 -0.009 0.000 0.714 218 A CB 1.396 20.408 19.000 0.021 0.000 1.299 218 A HN 0.668 nan 8.150 nan 0.000 0.407 219 R N 0.323 120.872 120.500 0.082 0.000 2.741 219 R HA 0.711 5.052 4.340 0.001 0.000 0.274 219 R C -1.980 174.397 176.300 0.128 0.000 1.029 219 R CA -0.932 55.270 56.100 0.169 0.000 0.880 219 R CB 0.721 31.071 30.300 0.084 0.000 1.264 219 R HN 0.481 nan 8.270 nan 0.000 0.465 220 L N 1.545 122.827 121.223 0.098 0.000 2.322 220 L HA 0.744 5.084 4.340 0.001 0.000 0.279 220 L C -0.197 176.668 176.870 -0.009 0.000 1.036 220 L CA -1.089 53.729 54.840 -0.036 0.000 0.807 220 L CB 1.834 43.762 42.059 -0.218 0.000 1.226 220 L HN 0.595 nan 8.230 nan 0.000 0.433 221 V N -1.059 118.858 119.914 0.005 0.000 3.114 221 V HA 0.638 4.758 4.120 0.001 0.000 0.308 221 V C -0.486 175.618 176.094 0.017 0.000 1.168 221 V CA -0.512 61.806 62.300 0.030 0.000 1.015 221 V CB 2.002 33.874 31.823 0.081 0.000 1.050 221 V HN 0.655 nan 8.190 nan 0.000 0.433 222 T N 2.341 116.899 114.554 0.006 0.000 2.770 222 T HA 0.661 5.011 4.350 0.001 0.000 0.283 222 T C -0.430 174.245 174.700 -0.041 0.000 0.988 222 T CA -0.317 61.770 62.100 -0.022 0.000 0.957 222 T CB 1.285 70.141 68.868 -0.019 0.000 0.930 222 T HN 0.752 nan 8.240 nan 0.000 0.443 223 V N 3.517 123.366 119.914 -0.109 0.000 2.398 223 V HA 0.345 4.465 4.120 0.001 0.000 0.286 223 V C 0.005 175.985 176.094 -0.190 0.000 1.026 223 V CA -0.936 61.255 62.300 -0.182 0.000 0.868 223 V CB 1.677 33.266 31.823 -0.390 0.000 0.982 223 V HN 0.776 nan 8.190 nan 0.000 0.443 224 D N 7.325 127.653 120.400 -0.121 0.000 2.347 224 D HA 0.293 4.934 4.640 0.001 0.000 0.235 224 D C -1.471 174.781 176.300 -0.079 0.000 1.149 224 D CA -2.115 51.834 54.000 -0.085 0.000 0.850 224 D CB 2.130 42.913 40.800 -0.029 0.000 1.061 224 D HN 0.256 nan 8.370 nan 0.000 0.487 225 P HA 0.009 nan 4.420 nan 0.000 0.237 225 P C 0.985 178.378 177.300 0.157 0.000 1.178 225 P CA 0.349 63.454 63.100 0.008 0.000 0.766 225 P CB 0.625 32.310 31.700 -0.025 0.000 0.876 226 R N 1.092 121.641 120.500 0.081 0.000 2.057 226 R HA -0.098 4.243 4.340 0.001 0.000 0.229 226 R C 1.725 178.084 176.300 0.098 0.000 1.136 226 R CA 2.117 58.263 56.100 0.077 0.000 0.952 226 R CB -0.513 29.811 30.300 0.040 0.000 0.848 226 R HN 0.300 nan 8.270 nan 0.000 0.430 227 D N -2.804 117.655 120.400 0.098 0.000 2.449 227 D HA 0.151 4.792 4.640 0.001 0.000 0.210 227 D C 0.980 177.367 176.300 0.145 0.000 1.094 227 D CA 0.605 54.662 54.000 0.095 0.000 0.846 227 D CB 0.534 41.370 40.800 0.060 0.000 1.003 227 D HN 0.239 nan 8.370 nan 0.000 0.504 228 G N 0.566 109.501 108.800 0.226 0.000 2.159 228 G HA2 -0.275 3.685 3.960 0.001 0.000 0.256 228 G HA3 -0.275 3.685 3.960 0.001 0.000 0.256 228 G C 0.373 175.389 174.900 0.193 0.000 0.977 228 G CA 0.397 45.704 45.100 0.345 0.000 0.652 228 G HN 0.850 nan 8.290 nan 0.000 0.531 229 S N -0.979 114.784 115.700 0.104 0.000 2.572 229 S HA 0.630 5.101 4.470 0.001 0.000 0.279 229 S C 0.023 174.655 174.600 0.053 0.000 1.341 229 S CA -0.032 58.211 58.200 0.071 0.000 1.043 229 S CB 2.534 65.761 63.200 0.045 0.000 0.887 229 S HN 1.139 nan 8.310 nan 0.000 0.516 230 V N 3.253 123.203 119.914 0.060 0.000 2.482 230 V HA 0.529 4.649 4.120 0.001 0.000 0.295 230 V C -0.246 175.874 176.094 0.043 0.000 1.026 230 V CA -0.651 61.686 62.300 0.061 0.000 0.856 230 V CB 1.090 32.977 31.823 0.108 0.000 1.001 230 V HN 1.090 nan 8.190 nan 0.000 0.424 231 E N 2.265 122.482 120.200 0.029 0.000 2.359 231 E HA 0.621 4.971 4.350 0.001 0.000 0.266 231 E C -1.513 175.098 176.600 0.018 0.000 0.920 231 E CA -1.109 55.304 56.400 0.021 0.000 0.788 231 E CB 1.874 31.581 29.700 0.012 0.000 1.279 231 E HN 0.417 nan 8.360 nan 0.000 0.438 232 D N 0.880 121.288 120.400 0.014 0.000 2.399 232 D HA 0.124 4.765 4.640 0.001 0.000 0.241 232 D C -0.629 175.673 176.300 0.003 0.000 1.133 232 D CA -0.231 53.776 54.000 0.012 0.000 0.890 232 D CB 0.869 41.678 40.800 0.014 0.000 1.201 232 D HN 0.264 nan 8.370 nan 0.000 0.432 233 L N 2.692 123.911 121.223 -0.007 0.000 2.260 233 L HA 0.181 4.521 4.340 0.001 0.000 0.289 233 L C -0.181 176.677 176.870 -0.021 0.000 1.057 233 L CA -0.324 54.504 54.840 -0.021 0.000 0.811 233 L CB 0.633 42.662 42.059 -0.050 0.000 1.184 233 L HN 0.078 nan 8.230 nan 0.000 0.429 234 E N 5.323 125.516 120.200 -0.011 0.000 2.289 234 E HA 0.372 4.723 4.350 0.001 0.000 0.278 234 E C -0.802 175.788 176.600 -0.017 0.000 1.032 234 E CA 0.009 56.405 56.400 -0.007 0.000 0.854 234 E CB 1.101 30.801 29.700 0.001 0.000 1.046 234 E HN 0.575 nan 8.360 nan 0.000 0.409 235 L N 4.840 126.052 121.223 -0.018 0.000 2.331 235 L HA 0.382 4.722 4.340 0.001 0.000 0.275 235 L C -1.330 175.540 176.870 0.001 0.000 1.022 235 L CA -1.816 53.009 54.840 -0.024 0.000 0.812 235 L CB 1.731 43.758 42.059 -0.053 0.000 1.257 235 L HN 0.337 nan 8.230 nan 0.000 0.435 236 P HA -0.001 nan 4.420 nan 0.000 0.245 236 P C 0.129 177.444 177.300 0.024 0.000 1.212 236 P CA 0.393 63.501 63.100 0.013 0.000 0.774 236 P CB 0.603 32.309 31.700 0.011 0.000 0.999 237 S N -0.086 115.634 115.700 0.034 0.000 2.542 237 S HA 0.449 4.919 4.470 0.001 0.000 0.293 237 S C 0.585 175.225 174.600 0.068 0.000 1.089 237 S CA -0.657 57.577 58.200 0.056 0.000 0.961 237 S CB 1.271 64.520 63.200 0.081 0.000 1.062 237 S HN -0.275 nan 8.310 nan 0.000 0.483 238 K N 2.047 122.491 120.400 0.073 0.000 2.372 238 K HA 0.175 4.496 4.320 0.001 0.000 0.200 238 K C 0.172 176.828 176.600 0.094 0.000 1.022 238 K CA 0.101 56.432 56.287 0.073 0.000 1.125 238 K CB -0.066 32.464 32.500 0.051 0.000 0.855 238 K HN 0.564 nan 8.250 nan 0.000 0.524 239 D N 0.622 121.110 120.400 0.146 0.000 2.178 239 D HA -0.165 4.476 4.640 0.001 0.000 0.201 239 D C 1.479 177.880 176.300 0.168 0.000 0.980 239 D CA 0.756 54.891 54.000 0.226 0.000 0.842 239 D CB -0.163 40.854 40.800 0.362 0.000 0.948 239 D HN 0.169 nan 8.370 nan 0.000 0.472 240 F N 1.861 121.669 119.950 -0.237 0.000 2.084 240 F HA -0.193 4.334 4.527 0.001 0.000 0.296 240 F C 2.433 178.064 175.800 -0.282 0.000 1.111 240 F CA 1.899 59.451 58.000 -0.747 0.000 1.224 240 F CB -0.434 38.111 39.000 -0.760 0.000 0.991 240 F HN -0.025 nan 8.300 nan 0.000 0.471 241 S N -0.930 114.675 115.700 -0.157 0.000 2.423 241 S HA -0.141 4.330 4.470 0.001 0.000 0.231 241 S C 2.082 176.598 174.600 -0.140 0.000 1.014 241 S CA 1.157 59.242 58.200 -0.190 0.000 0.965 241 S CB -0.888 62.309 63.200 -0.005 0.000 0.785 241 S HN 0.368 nan 8.310 nan 0.000 0.495 242 S N 0.769 116.441 115.700 -0.047 0.000 2.399 242 S HA -0.064 4.407 4.470 0.001 0.000 0.231 242 S C 1.428 176.042 174.600 0.024 0.000 1.022 242 S CA 1.234 59.437 58.200 0.005 0.000 0.983 242 S CB -0.583 62.656 63.200 0.065 0.000 0.803 242 S HN 0.740 nan 8.310 nan 0.000 0.480 243 Y N 2.164 122.388 120.300 -0.126 0.000 2.439 243 Y HA 0.044 4.594 4.550 0.001 0.000 0.292 243 Y C 0.551 176.355 175.900 -0.160 0.000 1.130 243 Y CA 0.684 58.737 58.100 -0.079 0.000 1.254 243 Y CB -0.189 38.295 38.460 0.040 0.000 1.000 243 Y HN 0.057 nan 8.280 nan 0.000 0.554 244 R N 0.146 120.478 120.500 -0.280 0.000 3.146 244 R HA -0.158 4.183 4.340 0.001 0.000 0.250 244 R C -2.679 173.393 176.300 -0.380 0.000 0.912 244 R CA 0.319 56.233 56.100 -0.310 0.000 0.633 244 R CB -2.111 28.058 30.300 -0.219 0.000 1.180 244 R HN 0.325 nan 8.270 nan 0.000 0.464 245 P HA -0.007 nan 4.420 nan 0.000 0.272 245 P C 0.861 178.066 177.300 -0.158 0.000 1.223 245 P CA 0.129 63.086 63.100 -0.238 0.000 0.784 245 P CB 1.047 32.716 31.700 -0.052 0.000 0.923 246 T N -1.268 113.216 114.554 -0.117 0.000 3.037 246 T HA 0.448 4.798 4.350 0.001 0.000 0.252 246 T C 0.650 175.321 174.700 -0.047 0.000 1.073 246 T CA 0.284 62.333 62.100 -0.087 0.000 1.091 246 T CB 0.022 68.823 68.868 -0.112 0.000 0.935 246 T HN 0.636 nan 8.240 nan 0.000 0.488 247 A N 0.317 123.126 122.820 -0.018 0.000 2.606 247 A HA 0.750 5.071 4.320 0.001 0.000 0.293 247 A C -1.548 176.087 177.584 0.085 0.000 1.082 247 A CA -0.961 51.085 52.037 0.014 0.000 0.685 247 A CB 1.206 20.194 19.000 -0.020 0.000 1.284 247 A HN 0.382 nan 8.150 nan 0.000 0.408 248 I N 1.702 122.326 120.570 0.089 0.000 2.382 248 I HA 0.262 4.432 4.170 0.001 0.000 0.286 248 I C 0.863 177.054 176.117 0.124 0.000 1.002 248 I CA -0.411 60.969 61.300 0.134 0.000 1.135 248 I CB 2.268 40.337 38.000 0.115 0.000 1.288 248 I HN 0.822 nan 8.210 nan 0.000 0.448 249 T N 4.391 119.051 114.554 0.176 0.000 2.809 249 T HA -0.050 4.301 4.350 0.001 0.000 0.260 249 T C -0.319 174.553 174.700 0.287 0.000 1.039 249 T CA 1.008 63.225 62.100 0.194 0.000 1.141 249 T CB 0.107 69.097 68.868 0.204 0.000 0.869 249 T HN 0.628 nan 8.240 nan 0.000 0.437 250 W N 1.099 122.436 121.300 0.062 0.000 3.571 250 W HA 0.484 5.144 4.660 0.001 0.000 0.294 250 W C -2.556 173.979 176.519 0.027 0.000 1.257 250 W CA -1.414 55.957 57.345 0.043 0.000 1.206 250 W CB 0.997 30.485 29.460 0.046 0.000 1.325 250 W HN 0.121 nan 8.180 nan 0.000 0.546 251 L N 3.227 123.773 121.223 -1.128 0.000 2.415 251 L HA 1.140 5.480 4.340 0.001 0.000 0.256 251 L C -0.433 175.421 176.870 -1.693 0.000 1.010 251 L CA -0.809 53.325 54.840 -1.176 0.000 0.826 251 L CB 1.850 43.566 42.059 -0.572 0.000 1.405 251 L HN 0.783 nan 8.230 nan 0.000 0.410 252 G N -0.200 107.896 108.800 -1.174 0.000 2.691 252 G HA2 0.470 4.431 3.960 0.001 0.000 0.298 252 G HA3 0.470 4.431 3.960 0.001 0.000 0.298 252 G C -2.136 172.578 174.900 -0.310 0.000 1.471 252 G CA -0.643 44.090 45.100 -0.611 0.000 0.912 252 G HN 0.526 nan 8.290 nan 0.000 0.553 253 Y N 0.672 120.915 120.300 -0.095 0.000 2.319 253 Y HA 0.498 5.048 4.550 0.001 0.000 0.328 253 Y C 1.253 177.155 175.900 0.002 0.000 1.133 253 Y CA -0.168 57.901 58.100 -0.051 0.000 1.265 253 Y CB 1.012 39.430 38.460 -0.071 0.000 1.218 253 Y HN 0.324 nan 8.280 nan 0.000 0.508 254 L N 5.142 126.424 121.223 0.099 0.000 2.439 254 L HA 0.282 4.623 4.340 0.001 0.000 0.259 254 L C -1.397 175.405 176.870 -0.115 0.000 1.129 254 L CA -1.950 52.884 54.840 -0.010 0.000 0.803 254 L CB 0.578 42.637 42.059 -0.001 0.000 1.161 254 L HN 0.443 nan 8.230 nan 0.000 0.462 255 P HA -0.169 nan 4.420 nan 0.000 0.220 255 P C 0.329 177.546 177.300 -0.139 0.000 1.144 255 P CA 1.056 63.976 63.100 -0.300 0.000 0.800 255 P CB -0.026 31.391 31.700 -0.471 0.000 0.772 256 D N -2.568 117.774 120.400 -0.097 0.000 2.328 256 D HA 0.144 4.785 4.640 0.001 0.000 0.221 256 D C 1.426 177.721 176.300 -0.010 0.000 1.072 256 D CA 0.324 54.296 54.000 -0.047 0.000 0.850 256 D CB -0.747 40.029 40.800 -0.039 0.000 0.922 256 D HN 0.192 nan 8.370 nan 0.000 0.516 257 G N 0.319 109.130 108.800 0.018 0.000 2.217 257 G HA2 -0.325 3.635 3.960 0.001 0.000 0.246 257 G HA3 -0.325 3.635 3.960 0.001 0.000 0.246 257 G C 0.396 175.384 174.900 0.147 0.000 0.990 257 G CA -0.136 45.012 45.100 0.080 0.000 0.627 257 G HN 0.449 nan 8.290 nan 0.000 0.522 258 R N -0.085 120.455 120.500 0.068 0.000 2.491 258 R HA 0.446 4.787 4.340 0.001 0.000 0.283 258 R C 0.020 176.286 176.300 -0.056 0.000 1.072 258 R CA -0.450 55.663 56.100 0.022 0.000 1.048 258 R CB 0.775 31.077 30.300 0.002 0.000 0.983 258 R HN 0.263 nan 8.270 nan 0.000 0.450 259 L N 2.996 124.101 121.223 -0.198 0.000 2.261 259 L HA 0.342 4.682 4.340 0.001 0.000 0.289 259 L C -0.498 176.212 176.870 -0.268 0.000 1.059 259 L CA 0.077 54.618 54.840 -0.497 0.000 0.816 259 L CB 0.958 42.611 42.059 -0.676 0.000 1.191 259 L HN 0.694 nan 8.230 nan 0.000 0.431 260 A N 5.301 128.009 122.820 -0.186 0.000 2.328 260 A HA 0.698 5.018 4.320 0.001 0.000 0.284 260 A C -0.679 176.862 177.584 -0.072 0.000 1.160 260 A CA -0.393 51.641 52.037 -0.004 0.000 0.818 260 A CB 0.594 19.736 19.000 0.236 0.000 1.087 260 A HN 0.587 nan 8.150 nan 0.000 0.504 261 V N 2.605 122.545 119.914 0.043 0.000 2.876 261 V HA 0.517 4.637 4.120 0.001 0.000 0.312 261 V C -0.631 175.635 176.094 0.288 0.000 1.085 261 V CA -0.553 61.785 62.300 0.065 0.000 0.945 261 V CB 2.079 33.834 31.823 -0.113 0.000 1.017 261 V HN 0.642 nan 8.190 nan 0.000 0.428 262 V N 3.047 123.161 119.914 0.334 0.000 2.443 262 V HA 0.869 4.989 4.120 0.001 0.000 0.293 262 V C 0.104 176.406 176.094 0.348 0.000 1.021 262 V CA -0.195 62.316 62.300 0.351 0.000 0.848 262 V CB 1.477 33.508 31.823 0.348 0.000 0.998 262 V HN 1.087 nan 8.190 nan 0.000 0.424 263 A N 6.063 129.130 122.820 0.411 0.000 2.430 263 A HA 1.054 5.375 4.320 0.001 0.000 0.300 263 A C -0.477 177.354 177.584 0.412 0.000 1.124 263 A CA -0.883 51.395 52.037 0.401 0.000 0.766 263 A CB 1.918 21.223 19.000 0.508 0.000 1.328 263 A HN 0.907 nan 8.150 nan 0.000 0.424 264 R N -0.058 120.643 120.500 0.336 0.000 2.836 264 R HA 0.850 5.190 4.340 0.001 0.000 0.269 264 R C -1.186 175.192 176.300 0.130 0.000 1.010 264 R CA -1.032 55.242 56.100 0.290 0.000 0.930 264 R CB 1.708 32.089 30.300 0.135 0.000 1.218 264 R HN 0.831 nan 8.270 nan 0.000 0.473 265 R N 0.339 120.876 120.500 0.063 0.000 2.564 265 R HA 0.331 4.672 4.340 0.001 0.000 0.284 265 R C -1.052 175.235 176.300 -0.022 0.000 1.031 265 R CA -1.048 54.995 56.100 -0.096 0.000 0.904 265 R CB 1.676 31.841 30.300 -0.224 0.000 1.199 265 R HN 0.903 nan 8.270 nan 0.000 0.443 266 E N 0.819 120.970 120.200 -0.082 0.000 2.694 266 E HA -0.235 4.115 4.350 0.001 0.000 0.272 266 E C 0.415 177.146 176.600 0.218 0.000 1.040 266 E CA 0.702 57.191 56.400 0.148 0.000 0.809 266 E CB -1.427 28.411 29.700 0.231 0.000 1.389 266 E HN 1.226 nan 8.360 nan 0.000 0.413 267 G N 0.144 108.993 108.800 0.083 0.000 2.153 267 G HA2 -0.365 3.595 3.960 0.001 0.000 0.252 267 G HA3 -0.365 3.595 3.960 0.001 0.000 0.252 267 G C 0.100 175.054 174.900 0.089 0.000 0.994 267 G CA 0.769 45.935 45.100 0.109 0.000 0.698 267 G HN 0.285 nan 8.290 nan 0.000 0.521 268 R N -0.197 120.374 120.500 0.119 0.000 2.686 268 R HA 0.640 4.980 4.340 0.001 0.000 0.283 268 R C 0.142 176.553 176.300 0.185 0.000 0.978 268 R CA 0.005 56.180 56.100 0.125 0.000 0.897 268 R CB 1.852 32.252 30.300 0.167 0.000 1.192 268 R HN 0.385 nan 8.270 nan 0.000 0.457 269 S N 0.729 116.527 115.700 0.164 0.000 2.718 269 S HA 0.899 5.370 4.470 0.001 0.000 0.300 269 S C -0.609 174.147 174.600 0.259 0.000 1.117 269 S CA -0.828 57.525 58.200 0.255 0.000 1.002 269 S CB 2.161 65.517 63.200 0.260 0.000 1.092 269 S HN 0.667 nan 8.310 nan 0.000 0.542 270 A N 0.469 123.343 122.820 0.090 0.000 2.498 270 A HA 0.757 5.077 4.320 0.001 0.000 0.298 270 A C -1.098 176.288 177.584 -0.330 0.000 1.075 270 A CA -0.812 51.056 52.037 -0.281 0.000 0.714 270 A CB 1.481 19.997 19.000 -0.808 0.000 1.299 270 A HN 0.896 nan 8.150 nan 0.000 0.407 271 V N 1.014 120.571 119.914 -0.596 0.000 2.513 271 V HA 0.698 4.818 4.120 0.001 0.000 0.299 271 V C -1.097 174.594 176.094 -0.671 0.000 1.035 271 V CA -0.223 61.829 62.300 -0.413 0.000 0.889 271 V CB 0.942 32.562 31.823 -0.338 0.000 0.988 271 V HN 0.691 nan 8.190 nan 0.000 0.440 272 F N 4.176 124.112 119.950 -0.023 0.000 2.569 272 F HA 0.650 5.178 4.527 0.001 0.000 0.312 272 F C -0.443 175.332 175.800 -0.042 0.000 1.109 272 F CA -0.775 57.214 58.000 -0.018 0.000 0.919 272 F CB 2.040 41.060 39.000 0.034 0.000 1.211 272 F HN 0.146 nan 8.300 nan 0.000 0.446 273 I N 3.047 123.695 120.570 0.131 0.000 2.439 273 I HA 0.232 4.403 4.170 0.001 0.000 0.283 273 I C -0.485 175.651 176.117 0.031 0.000 1.023 273 I CA -0.786 60.541 61.300 0.045 0.000 1.100 273 I CB 1.128 39.140 38.000 0.021 0.000 1.238 273 I HN 0.625 nan 8.210 nan 0.000 0.445 274 D N 5.535 125.919 120.400 -0.028 0.000 2.751 274 D HA -0.199 4.441 4.640 0.001 0.000 0.233 274 D C 1.328 177.623 176.300 -0.008 0.000 1.149 274 D CA 1.645 55.620 54.000 -0.041 0.000 0.682 274 D CB -0.859 39.932 40.800 -0.015 0.000 1.068 274 D HN 1.126 nan 8.370 nan 0.000 0.429 275 G N -0.257 108.548 108.800 0.008 0.000 2.241 275 G HA2 -0.356 3.604 3.960 0.001 0.000 0.244 275 G HA3 -0.356 3.604 3.960 0.001 0.000 0.244 275 G C 0.154 175.216 174.900 0.268 0.000 0.998 275 G CA 0.451 45.587 45.100 0.061 0.000 0.621 275 G HN 0.627 nan 8.290 nan 0.000 0.519 276 E N 0.797 121.142 120.200 0.242 0.000 2.313 276 E HA 0.508 4.858 4.350 0.001 0.000 0.276 276 E C 0.492 177.245 176.600 0.256 0.000 1.031 276 E CA -0.825 55.712 56.400 0.228 0.000 0.857 276 E CB 0.461 30.220 29.700 0.099 0.000 1.040 276 E HN 0.357 nan 8.360 nan 0.000 0.408 277 R N 3.153 123.738 120.500 0.142 0.000 2.340 277 R HA 0.256 4.596 4.340 0.001 0.000 0.300 277 R C -1.062 175.107 176.300 -0.218 0.000 1.069 277 R CA -0.453 55.472 56.100 -0.291 0.000 0.984 277 R CB 0.937 31.050 30.300 -0.311 0.000 1.003 277 R HN 0.339 nan 8.270 nan 0.000 0.459 278 V N 4.041 123.769 119.914 -0.310 0.000 2.547 278 V HA 0.156 4.276 4.120 0.001 0.000 0.299 278 V C -0.269 175.688 176.094 -0.228 0.000 1.040 278 V CA -0.768 61.409 62.300 -0.205 0.000 0.913 278 V CB 1.822 33.540 31.823 -0.175 0.000 0.992 278 V HN 0.815 nan 8.190 nan 0.000 0.449 279 E N 2.740 122.847 120.200 -0.155 0.000 2.415 279 E HA 0.467 4.817 4.350 0.001 0.000 0.263 279 E C -0.115 176.383 176.600 -0.170 0.000 0.995 279 E CA 0.155 56.472 56.400 -0.138 0.000 0.915 279 E CB 0.805 30.452 29.700 -0.089 0.000 0.951 279 E HN 0.828 nan 8.360 nan 0.000 0.449 280 A N 4.267 126.980 122.820 -0.178 0.000 2.515 280 A HA 0.600 4.921 4.320 0.001 0.000 0.298 280 A C -2.594 174.941 177.584 -0.081 0.000 1.059 280 A CA -1.593 50.313 52.037 -0.217 0.000 0.698 280 A CB 0.993 19.704 19.000 -0.481 0.000 1.289 280 A HN 0.403 nan 8.150 nan 0.000 0.404 281 P HA 0.223 nan 4.420 nan 0.000 0.271 281 P C -0.490 176.859 177.300 0.082 0.000 1.218 281 P CA -0.282 62.733 63.100 -0.142 0.000 0.780 281 P CB 0.456 31.836 31.700 -0.534 0.000 0.901 282 Q N 0.880 120.743 119.800 0.106 0.000 2.364 282 Q HA 0.415 4.755 4.340 0.001 0.000 0.267 282 Q C 0.409 176.558 176.000 0.249 0.000 0.999 282 Q CA 0.696 56.603 55.803 0.173 0.000 0.886 282 Q CB -0.028 28.787 28.738 0.127 0.000 1.243 282 Q HN 0.797 nan 8.270 nan 0.000 0.415 283 G N 3.123 111.992 108.800 0.114 0.000 2.217 283 G HA2 -0.125 3.835 3.960 0.001 0.000 0.173 283 G HA3 -0.125 3.835 3.960 0.001 0.000 0.173 283 G C -1.310 173.457 174.900 -0.222 0.000 1.324 283 G CA -0.659 44.429 45.100 -0.020 0.000 1.225 283 G HN 0.655 nan 8.290 nan 0.000 0.494 284 N N 0.431 118.909 118.700 -0.369 0.000 2.292 284 N HA 0.678 5.418 4.740 0.001 0.000 0.303 284 N C -1.295 173.878 175.510 -0.562 0.000 1.140 284 N CA -0.334 52.470 53.050 -0.411 0.000 0.788 284 N CB 1.666 40.042 38.487 -0.186 0.000 1.361 284 N HN 0.616 nan 8.380 nan 0.000 0.489 285 H N -1.184 117.919 119.070 0.055 0.000 2.797 285 H HA 0.589 5.145 4.556 0.001 0.000 0.372 285 H C 0.645 175.974 175.328 0.003 0.000 1.168 285 H CA -0.857 55.215 56.048 0.039 0.000 1.163 285 H CB 1.634 31.424 29.762 0.046 0.000 1.778 285 H HN 0.603 nan 8.280 nan 0.000 0.551 286 G N -0.065 108.771 108.800 0.060 0.000 3.075 286 G HA2 0.232 4.192 3.960 0.001 0.000 0.156 286 G HA3 0.232 4.192 3.960 0.001 0.000 0.156 286 G C -0.314 174.423 174.900 -0.271 0.000 1.403 286 G CA -0.933 44.118 45.100 -0.082 0.000 1.033 286 G HN 0.725 nan 8.290 nan 0.000 0.589 287 R N -1.277 118.863 120.500 -0.600 0.000 2.637 287 R HA 0.515 4.856 4.340 0.001 0.000 0.269 287 R C -1.256 174.612 176.300 -0.719 0.000 1.089 287 R CA -0.336 54.987 56.100 -1.294 0.000 1.177 287 R CB 0.949 30.319 30.300 -1.549 0.000 1.091 287 R HN 0.174 nan 8.270 nan 0.000 0.540 288 V N 2.393 121.853 119.914 -0.757 0.000 2.604 288 V HA 0.462 4.582 4.120 0.001 0.000 0.305 288 V C -0.172 175.918 176.094 -0.006 0.000 1.043 288 V CA -0.668 61.529 62.300 -0.172 0.000 0.888 288 V CB 1.522 33.390 31.823 0.075 0.000 0.995 288 V HN 0.750 nan 8.190 nan 0.000 0.429 289 V N 3.065 123.018 119.914 0.064 0.000 3.102 289 V HA 0.814 4.934 4.120 0.001 0.000 0.312 289 V C -1.236 175.013 176.094 0.260 0.000 1.135 289 V CA -1.095 61.339 62.300 0.222 0.000 1.022 289 V CB 2.154 34.057 31.823 0.133 0.000 1.056 289 V HN 0.701 nan 8.190 nan 0.000 0.436 290 L N 3.228 124.671 121.223 0.367 0.000 2.287 290 L HA 0.815 5.156 4.340 0.001 0.000 0.287 290 L C -1.233 175.868 176.870 0.386 0.000 1.022 290 L CA -0.243 54.756 54.840 0.264 0.000 0.814 290 L CB 1.201 43.321 42.059 0.103 0.000 1.217 290 L HN 1.004 nan 8.230 nan 0.000 0.420 291 W N 6.619 127.983 121.300 0.107 0.000 3.042 291 W HA 0.505 5.165 4.660 0.001 0.000 0.337 291 W C 0.086 176.645 176.519 0.067 0.000 1.086 291 W CA -0.744 56.663 57.345 0.104 0.000 1.236 291 W CB 1.058 30.576 29.460 0.097 0.000 1.381 291 W HN 0.656 nan 8.180 nan 0.000 0.472 292 R N 4.487 124.629 120.500 -0.596 0.000 3.502 292 R HA -0.227 4.114 4.340 0.001 0.000 0.266 292 R C 1.139 177.262 176.300 -0.295 0.000 1.077 292 R CA 1.554 57.302 56.100 -0.586 0.000 0.718 292 R CB -1.751 27.933 30.300 -1.026 0.000 1.120 292 R HN 1.574 nan 8.270 nan 0.000 0.457 293 G N -0.384 108.332 108.800 -0.140 0.000 2.205 293 G HA2 -0.393 3.568 3.960 0.001 0.000 0.261 293 G HA3 -0.393 3.568 3.960 0.001 0.000 0.261 293 G C 0.077 174.961 174.900 -0.025 0.000 0.980 293 G CA 0.922 45.980 45.100 -0.070 0.000 0.632 293 G HN 0.558 nan 8.290 nan 0.000 0.533 294 K N 0.175 120.576 120.400 0.002 0.000 2.221 294 K HA 0.821 5.141 4.320 0.001 0.000 0.243 294 K C 0.010 176.688 176.600 0.132 0.000 0.968 294 K CA -1.236 55.086 56.287 0.059 0.000 0.846 294 K CB 1.954 34.488 32.500 0.058 0.000 1.141 294 K HN 0.119 nan 8.250 nan 0.000 0.434 295 L N 1.823 123.101 121.223 0.091 0.000 2.349 295 L HA 0.324 4.664 4.340 0.001 0.000 0.275 295 L C -0.566 176.356 176.870 0.087 0.000 1.115 295 L CA -0.858 54.033 54.840 0.085 0.000 0.820 295 L CB 1.187 43.265 42.059 0.032 0.000 1.135 295 L HN 0.375 nan 8.230 nan 0.000 0.445 296 V N 2.111 122.072 119.914 0.077 0.000 2.709 296 V HA 0.590 4.710 4.120 0.001 0.000 0.308 296 V C -0.165 175.901 176.094 -0.046 0.000 1.062 296 V CA -0.425 61.882 62.300 0.012 0.000 0.901 296 V CB 2.242 34.061 31.823 -0.007 0.000 1.003 296 V HN 0.846 nan 8.190 nan 0.000 0.425 297 T N 1.833 116.345 114.554 -0.070 0.000 2.864 297 T HA 0.575 4.925 4.350 0.001 0.000 0.299 297 T C -0.259 174.409 174.700 -0.052 0.000 1.166 297 T CA 0.010 62.063 62.100 -0.078 0.000 1.007 297 T CB 1.941 70.779 68.868 -0.050 0.000 1.219 297 T HN 1.031 nan 8.240 nan 0.000 0.506 298 S N 1.991 117.664 115.700 -0.044 0.000 2.617 298 S HA 0.480 4.951 4.470 0.001 0.000 0.269 298 S C -0.522 174.150 174.600 0.120 0.000 1.292 298 S CA -0.437 57.761 58.200 -0.003 0.000 1.010 298 S CB 0.604 63.780 63.200 -0.040 0.000 0.944 298 S HN 0.888 nan 8.310 nan 0.000 0.536 299 H N 0.124 119.198 119.070 0.006 0.000 2.865 299 H HA 0.534 5.091 4.556 0.001 0.000 0.362 299 H C -1.512 173.796 175.328 -0.032 0.000 1.114 299 H CA -0.341 55.719 56.048 0.019 0.000 1.208 299 H CB 2.095 31.902 29.762 0.075 0.000 1.727 299 H HN 0.810 nan 8.280 nan 0.000 0.534 300 T N 2.221 116.260 114.554 -0.857 0.000 2.864 300 T HA 0.551 4.901 4.350 0.001 0.000 0.299 300 T C -1.245 173.081 174.700 -0.624 0.000 1.166 300 T CA -0.042 61.674 62.100 -0.640 0.000 1.007 300 T CB 1.436 70.164 68.868 -0.234 0.000 1.219 300 T HN 0.846 nan 8.240 nan 0.000 0.506 301 S N 1.823 117.365 115.700 -0.262 0.000 2.752 301 S HA 0.491 4.961 4.470 0.001 0.000 0.284 301 S C 0.612 175.249 174.600 0.061 0.000 1.189 301 S CA -0.836 57.312 58.200 -0.086 0.000 0.835 301 S CB 0.500 63.699 63.200 -0.002 0.000 1.192 301 S HN 0.592 nan 8.310 nan 0.000 0.506 302 L N 1.588 122.840 121.223 0.047 0.000 2.275 302 L HA 0.043 4.383 4.340 0.001 0.000 0.215 302 L C 2.424 179.402 176.870 0.179 0.000 1.119 302 L CA 1.526 56.392 54.840 0.044 0.000 0.790 302 L CB -0.250 41.820 42.059 0.017 0.000 0.919 302 L HN 0.907 nan 8.230 nan 0.000 0.443 303 S N -3.416 112.426 115.700 0.235 0.000 2.526 303 S HA 0.032 4.503 4.470 0.001 0.000 0.220 303 S C 0.870 175.627 174.600 0.261 0.000 1.017 303 S CA -0.003 58.374 58.200 0.294 0.000 0.930 303 S CB 0.169 63.475 63.200 0.175 0.000 0.856 303 S HN 0.272 nan 8.310 nan 0.000 0.497 304 T N 2.576 117.240 114.554 0.182 0.000 2.791 304 T HA 0.605 4.956 4.350 0.001 0.000 0.288 304 T C -3.327 171.275 174.700 -0.163 0.000 0.999 304 T CA -2.346 59.745 62.100 -0.015 0.000 0.952 304 T CB 1.225 70.114 68.868 0.035 0.000 0.938 304 T HN -0.093 nan 8.240 nan 0.000 0.444 305 P HA 0.193 nan 4.420 nan 0.000 0.266 305 P C -2.543 174.542 177.300 -0.359 0.000 1.193 305 P CA -0.932 61.640 63.100 -0.880 0.000 0.770 305 P CB -0.404 30.646 31.700 -1.083 0.000 0.836 306 P HA -0.020 nan 4.420 nan 0.000 0.261 306 P C -0.076 177.210 177.300 -0.024 0.000 1.173 306 P CA 0.824 63.861 63.100 -0.105 0.000 0.760 306 P CB 0.250 31.915 31.700 -0.059 0.000 0.783 307 R N 2.511 123.018 120.500 0.012 0.000 2.810 307 R HA 0.703 5.043 4.340 0.001 0.000 0.266 307 R C -1.387 174.896 176.300 -0.029 0.000 1.061 307 R CA -0.959 55.166 56.100 0.042 0.000 0.943 307 R CB 1.078 31.386 30.300 0.014 0.000 1.237 307 R HN 0.082 nan 8.270 nan 0.000 0.459 308 I N 2.500 122.975 120.570 -0.158 0.000 2.410 308 I HA 0.398 4.569 4.170 0.001 0.000 0.286 308 I C -0.039 175.955 176.117 -0.205 0.000 1.009 308 I CA -0.722 60.451 61.300 -0.212 0.000 1.111 308 I CB 1.391 39.164 38.000 -0.379 0.000 1.262 308 I HN 0.635 nan 8.210 nan 0.000 0.443 309 V N 2.888 122.728 119.914 -0.124 0.000 3.102 309 V HA 0.735 4.856 4.120 0.001 0.000 0.312 309 V C -0.327 175.718 176.094 -0.081 0.000 1.135 309 V CA -0.639 61.599 62.300 -0.104 0.000 1.022 309 V CB 2.076 33.855 31.823 -0.073 0.000 1.056 309 V HN 0.692 nan 8.190 nan 0.000 0.436 310 S N 1.891 117.559 115.700 -0.053 0.000 2.541 310 S HA 0.793 5.263 4.470 0.001 0.000 0.283 310 S C -0.630 173.952 174.600 -0.031 0.000 1.196 310 S CA -0.665 57.532 58.200 -0.006 0.000 1.062 310 S CB 0.430 63.658 63.200 0.046 0.000 1.009 310 S HN 0.725 nan 8.310 nan 0.000 0.502 311 L N 5.497 126.703 121.223 -0.029 0.000 2.334 311 L HA 0.534 4.874 4.340 0.001 0.000 0.273 311 L C -1.569 175.279 176.870 -0.036 0.000 1.013 311 L CA -1.917 52.887 54.840 -0.059 0.000 0.816 311 L CB 1.902 43.904 42.059 -0.095 0.000 1.278 311 L HN 0.552 nan 8.230 nan 0.000 0.431 312 P HA 0.024 nan 4.420 nan 0.000 0.267 312 P C 1.097 178.360 177.300 -0.062 0.000 1.289 312 P CA 0.131 63.189 63.100 -0.070 0.000 0.866 312 P CB 0.530 32.191 31.700 -0.065 0.000 1.309 313 S N 0.018 115.691 115.700 -0.044 0.000 2.419 313 S HA 0.020 4.491 4.470 0.001 0.000 0.233 313 S C 1.909 176.475 174.600 -0.056 0.000 1.016 313 S CA 1.336 59.512 58.200 -0.040 0.000 0.974 313 S CB -1.680 61.506 63.200 -0.023 0.000 0.786 313 S HN 0.296 nan 8.310 nan 0.000 0.492 314 G N 0.816 109.573 108.800 -0.072 0.000 2.162 314 G HA2 -0.270 3.690 3.960 0.001 0.000 0.260 314 G HA3 -0.270 3.690 3.960 0.001 0.000 0.260 314 G C -0.209 174.638 174.900 -0.089 0.000 0.976 314 G CA 0.387 45.426 45.100 -0.101 0.000 0.655 314 G HN 0.667 nan 8.290 nan 0.000 0.533 315 E N 1.788 121.952 120.200 -0.060 0.000 2.354 315 E HA 0.342 4.693 4.350 0.001 0.000 0.269 315 E C -2.115 174.447 176.600 -0.064 0.000 1.036 315 E CA -1.453 54.917 56.400 -0.050 0.000 0.876 315 E CB 1.107 30.791 29.700 -0.028 0.000 1.009 315 E HN 0.255 nan 8.360 nan 0.000 0.416 316 P HA 0.063 nan 4.420 nan 0.000 0.284 316 P C -0.077 177.133 177.300 -0.151 0.000 1.253 316 P CA 0.005 63.036 63.100 -0.115 0.000 0.800 316 P CB 1.169 32.809 31.700 -0.099 0.000 0.961 317 L N 1.871 122.936 121.223 -0.265 0.000 2.189 317 L HA 0.210 4.551 4.340 0.001 0.000 0.199 317 L C 0.925 177.498 176.870 -0.496 0.000 1.074 317 L CA 0.812 55.411 54.840 -0.401 0.000 0.783 317 L CB -0.151 41.498 42.059 -0.683 0.000 0.955 317 L HN 0.261 nan 8.230 nan 0.000 0.460 318 L N 0.175 121.040 121.223 -0.598 0.000 2.386 318 L HA 0.461 4.802 4.340 0.001 0.000 0.271 318 L C -0.788 175.775 176.870 -0.511 0.000 0.993 318 L CA -0.358 54.063 54.840 -0.697 0.000 0.819 318 L CB 2.060 43.383 42.059 -1.227 0.000 1.294 318 L HN 0.090 nan 8.230 nan 0.000 0.414 319 E N 2.191 122.222 120.200 -0.281 0.000 2.388 319 E HA 0.431 4.781 4.350 0.001 0.000 0.289 319 E C -1.088 175.554 176.600 0.070 0.000 0.944 319 E CA -0.835 55.538 56.400 -0.045 0.000 0.792 319 E CB 1.793 31.453 29.700 -0.067 0.000 1.239 319 E HN 0.599 nan 8.360 nan 0.000 0.412 320 G N 1.499 110.367 108.800 0.113 0.000 2.442 320 G HA2 0.484 4.445 3.960 0.001 0.000 0.249 320 G HA3 0.484 4.445 3.960 0.001 0.000 0.249 320 G C 0.132 174.982 174.900 -0.082 0.000 1.263 320 G CA -0.124 44.970 45.100 -0.010 0.000 0.846 320 G HN 0.514 nan 8.290 nan 0.000 0.555 321 G N 0.979 109.739 108.800 -0.067 0.000 2.335 321 G HA2 0.501 4.461 3.960 0.001 0.000 0.316 321 G HA3 0.501 4.461 3.960 0.001 0.000 0.316 321 G C -0.248 174.606 174.900 -0.078 0.000 1.129 321 G CA -0.677 44.384 45.100 -0.065 0.000 0.899 321 G HN 0.587 nan 8.290 nan 0.000 0.448 322 L N 3.955 125.128 121.223 -0.083 0.000 2.305 322 L HA 0.320 4.660 4.340 0.001 0.000 0.281 322 L C -1.519 175.341 176.870 -0.017 0.000 1.085 322 L CA -1.655 53.150 54.840 -0.058 0.000 0.813 322 L CB 1.832 43.858 42.059 -0.055 0.000 1.157 322 L HN 0.370 nan 8.230 nan 0.000 0.436 323 P HA 0.011 nan 4.420 nan 0.000 0.271 323 P C 0.495 177.807 177.300 0.020 0.000 1.218 323 P CA -0.153 62.952 63.100 0.009 0.000 0.780 323 P CB 1.129 32.836 31.700 0.012 0.000 0.901 324 E N 1.437 121.648 120.200 0.018 0.000 2.097 324 E HA -0.228 4.122 4.350 0.001 0.000 0.196 324 E C 1.504 178.123 176.600 0.031 0.000 1.000 324 E CA 2.056 58.471 56.400 0.024 0.000 0.804 324 E CB -0.736 28.976 29.700 0.020 0.000 0.740 324 E HN 0.738 nan 8.360 nan 0.000 0.454 325 D N -0.032 120.385 120.400 0.028 0.000 2.144 325 D HA -0.180 4.460 4.640 0.001 0.000 0.199 325 D C 2.211 178.535 176.300 0.040 0.000 0.984 325 D CA 1.301 55.319 54.000 0.030 0.000 0.834 325 D CB -0.541 40.274 40.800 0.025 0.000 0.955 325 D HN 0.428 nan 8.370 nan 0.000 0.465 326 L N -0.082 121.170 121.223 0.048 0.000 2.072 326 L HA -0.100 4.240 4.340 0.001 0.000 0.205 326 L C 3.156 180.078 176.870 0.085 0.000 1.079 326 L CA 0.622 55.503 54.840 0.069 0.000 0.752 326 L CB -0.425 41.680 42.059 0.077 0.000 0.906 326 L HN -0.037 nan 8.230 nan 0.000 0.436 327 R N 0.251 120.795 120.500 0.074 0.000 2.133 327 R HA -0.214 4.127 4.340 0.001 0.000 0.245 327 R C 2.312 178.659 176.300 0.078 0.000 1.137 327 R CA 2.098 58.246 56.100 0.079 0.000 0.947 327 R CB -0.903 29.431 30.300 0.056 0.000 0.865 327 R HN 0.445 nan 8.270 nan 0.000 0.437 328 R N 0.440 120.976 120.500 0.060 0.000 2.237 328 R HA -0.017 4.323 4.340 0.001 0.000 0.219 328 R C 2.485 178.819 176.300 0.058 0.000 1.080 328 R CA 1.289 57.422 56.100 0.055 0.000 0.995 328 R CB -0.207 30.118 30.300 0.042 0.000 0.875 328 R HN 0.551 nan 8.270 nan 0.000 0.462 329 S N 0.282 116.019 115.700 0.062 0.000 2.500 329 S HA -0.054 4.417 4.470 0.001 0.000 0.239 329 S C 0.836 175.478 174.600 0.072 0.000 0.989 329 S CA 0.593 58.827 58.200 0.058 0.000 0.951 329 S CB -0.126 63.108 63.200 0.057 0.000 0.759 329 S HN 0.148 nan 8.310 nan 0.000 0.523 330 I N 1.722 122.343 120.570 0.084 0.000 2.347 330 I HA 0.406 4.577 4.170 0.001 0.000 0.283 330 I C 1.210 177.383 176.117 0.093 0.000 1.058 330 I CA -0.408 60.949 61.300 0.095 0.000 1.202 330 I CB 1.156 39.217 38.000 0.102 0.000 1.386 330 I HN 0.170 nan 8.210 nan 0.000 0.475 331 A N 4.643 127.522 122.820 0.098 0.000 1.930 331 A HA 0.387 4.707 4.320 0.001 0.000 0.217 331 A C 1.200 178.835 177.584 0.084 0.000 1.175 331 A CA 1.416 53.505 52.037 0.088 0.000 0.627 331 A CB -0.231 18.827 19.000 0.097 0.000 0.815 331 A HN 0.736 nan 8.150 nan 0.000 0.443 332 G N -2.626 106.231 108.800 0.094 0.000 2.430 332 G HA2 0.523 4.484 3.960 0.001 0.000 0.300 332 G HA3 0.523 4.484 3.960 0.001 0.000 0.300 332 G C -0.873 174.087 174.900 0.100 0.000 1.330 332 G CA 0.276 45.429 45.100 0.089 0.000 0.813 332 G HN 1.158 nan 8.290 nan 0.000 0.487 333 S N -1.253 114.506 115.700 0.098 0.000 2.579 333 S HA 0.897 5.368 4.470 0.001 0.000 0.272 333 S C -0.849 173.798 174.600 0.079 0.000 1.141 333 S CA -0.794 57.475 58.200 0.114 0.000 0.843 333 S CB 2.779 66.073 63.200 0.155 0.000 1.122 333 S HN 1.223 nan 8.310 nan 0.000 0.468 334 R N 0.324 120.846 120.500 0.036 0.000 2.579 334 R HA 0.538 4.879 4.340 0.001 0.000 0.260 334 R C -2.471 173.659 176.300 -0.283 0.000 1.103 334 R CA -0.756 55.305 56.100 -0.065 0.000 0.942 334 R CB 1.285 31.582 30.300 -0.005 0.000 1.251 334 R HN 0.741 nan 8.270 nan 0.000 0.450 335 L N 5.873 126.839 121.223 -0.427 0.000 2.280 335 L HA 0.623 4.964 4.340 0.001 0.000 0.287 335 L C -1.063 175.503 176.870 -0.506 0.000 1.023 335 L CA -0.429 53.979 54.840 -0.721 0.000 0.819 335 L CB 1.562 43.092 42.059 -0.881 0.000 1.212 335 L HN 0.467 nan 8.230 nan 0.000 0.420 336 V N 1.880 121.435 119.914 -0.597 0.000 2.960 336 V HA 0.698 4.818 4.120 0.001 0.000 0.315 336 V C -1.405 174.278 176.094 -0.686 0.000 1.087 336 V CA -0.752 61.250 62.300 -0.496 0.000 0.982 336 V CB 1.819 33.316 31.823 -0.543 0.000 1.039 336 V HN 0.802 nan 8.190 nan 0.000 0.437 337 W N 2.187 123.277 121.300 -0.350 0.000 2.299 337 W HA 0.700 5.361 4.660 0.001 0.000 0.319 337 W C -0.451 175.886 176.519 -0.303 0.000 1.008 337 W CA -0.637 56.525 57.345 -0.305 0.000 1.384 337 W CB 1.673 30.999 29.460 -0.223 0.000 1.220 337 W HN 0.526 nan 8.180 nan 0.000 0.402 338 V N 2.974 122.783 119.914 -0.175 0.000 2.498 338 V HA 0.098 4.218 4.120 0.001 0.000 0.279 338 V C 0.475 176.582 176.094 0.020 0.000 1.048 338 V CA -0.899 61.325 62.300 -0.127 0.000 0.967 338 V CB 1.222 32.953 31.823 -0.154 0.000 0.988 338 V HN 0.431 nan 8.190 nan 0.000 0.473 339 E N 2.872 123.109 120.200 0.062 0.000 2.290 339 E HA 0.263 4.613 4.350 0.001 0.000 0.277 339 E C -0.000 176.668 176.600 0.114 0.000 1.035 339 E CA -0.050 56.394 56.400 0.073 0.000 0.873 339 E CB 0.942 30.680 29.700 0.063 0.000 1.029 339 E HN 0.740 nan 8.360 nan 0.000 0.419 340 S N 2.901 118.684 115.700 0.139 0.000 2.719 340 S HA 0.168 4.638 4.470 0.001 0.000 0.285 340 S C 1.039 175.770 174.600 0.218 0.000 1.137 340 S CA -0.512 57.830 58.200 0.238 0.000 1.012 340 S CB 0.278 63.696 63.200 0.363 0.000 1.134 340 S HN 0.576 nan 8.310 nan 0.000 0.544 341 F N 1.159 121.169 119.950 0.100 0.000 2.154 341 F HA -0.064 4.463 4.527 0.001 0.000 0.301 341 F C 1.627 177.470 175.800 0.072 0.000 1.087 341 F CA 1.662 59.708 58.000 0.075 0.000 1.274 341 F CB -0.390 38.650 39.000 0.066 0.000 1.009 341 F HN 0.556 nan 8.300 nan 0.000 0.485 342 D N -0.772 119.052 120.400 -0.959 0.000 2.363 342 D HA 0.207 4.847 4.640 0.001 0.000 0.214 342 D C 1.790 177.903 176.300 -0.311 0.000 1.093 342 D CA 0.566 54.065 54.000 -0.836 0.000 0.837 342 D CB 0.216 40.315 40.800 -1.168 0.000 0.948 342 D HN 0.536 nan 8.370 nan 0.000 0.507 343 G N -0.015 108.686 108.800 -0.164 0.000 2.213 343 G HA2 -0.266 3.695 3.960 0.001 0.000 0.236 343 G HA3 -0.266 3.695 3.960 0.001 0.000 0.236 343 G C 0.383 175.256 174.900 -0.044 0.000 0.991 343 G CA 0.165 45.221 45.100 -0.073 0.000 0.629 343 G HN 0.404 nan 8.290 nan 0.000 0.517 344 S N 1.404 117.093 115.700 -0.019 0.000 2.572 344 S HA 0.503 4.973 4.470 0.001 0.000 0.279 344 S C 0.572 175.152 174.600 -0.033 0.000 1.341 344 S CA -0.216 57.984 58.200 0.001 0.000 1.043 344 S CB 0.779 64.095 63.200 0.193 0.000 0.887 344 S HN 0.387 nan 8.310 nan 0.000 0.516 345 R N 2.137 122.554 120.500 -0.139 0.000 2.198 345 R HA 0.304 4.644 4.340 0.001 0.000 0.339 345 R C -1.086 175.119 176.300 -0.159 0.000 1.020 345 R CA -0.409 55.655 56.100 -0.060 0.000 0.864 345 R CB 0.435 30.724 30.300 -0.017 0.000 1.105 345 R HN 0.351 nan 8.270 nan 0.000 0.463 346 V N 6.623 126.488 119.914 -0.080 0.000 2.334 346 V HA 0.197 4.317 4.120 0.001 0.000 0.267 346 V C -1.839 174.066 176.094 -0.316 0.000 1.040 346 V CA -1.837 60.385 62.300 -0.130 0.000 0.866 346 V CB 1.228 33.119 31.823 0.113 0.000 1.019 346 V HN 0.526 nan 8.190 nan 0.000 0.468 347 P HA 0.199 nan 4.420 nan 0.000 0.276 347 P C -0.316 176.570 177.300 -0.690 0.000 1.264 347 P CA 0.119 62.514 63.100 -1.175 0.000 0.769 347 P CB 0.529 31.215 31.700 -1.689 0.000 0.840 348 T N 4.290 118.449 114.554 -0.659 0.000 2.809 348 T HA 0.299 4.650 4.350 0.001 0.000 0.284 348 T C -0.528 173.951 174.700 -0.368 0.000 0.992 348 T CA -0.167 61.707 62.100 -0.376 0.000 0.957 348 T CB 0.262 68.906 68.868 -0.374 0.000 0.942 348 T HN 0.143 nan 8.240 nan 0.000 0.439 349 Y N 2.086 122.271 120.300 -0.192 0.000 2.319 349 Y HA 0.478 5.028 4.550 0.001 0.000 0.328 349 Y C 0.186 176.054 175.900 -0.054 0.000 1.133 349 Y CA -0.264 57.766 58.100 -0.117 0.000 1.265 349 Y CB 0.960 39.380 38.460 -0.067 0.000 1.218 349 Y HN 0.312 nan 8.280 nan 0.000 0.508 350 V N 6.068 126.037 119.914 0.093 0.000 2.525 350 V HA 0.271 4.392 4.120 0.001 0.000 0.299 350 V C -0.564 175.620 176.094 0.149 0.000 1.034 350 V CA -1.033 61.343 62.300 0.126 0.000 0.863 350 V CB 1.723 33.620 31.823 0.123 0.000 0.999 350 V HN 0.584 nan 8.190 nan 0.000 0.423 351 L N 3.923 125.243 121.223 0.162 0.000 2.255 351 L HA 0.477 4.817 4.340 0.001 0.000 0.289 351 L C 0.229 177.216 176.870 0.196 0.000 1.046 351 L CA -0.408 54.523 54.840 0.151 0.000 0.816 351 L CB 1.421 43.550 42.059 0.116 0.000 1.197 351 L HN 0.691 nan 8.230 nan 0.000 0.427 352 E N 2.136 122.442 120.200 0.177 0.000 2.257 352 E HA 0.079 4.429 4.350 0.001 0.000 0.278 352 E C -0.226 176.548 176.600 0.290 0.000 1.049 352 E CA 0.094 56.641 56.400 0.245 0.000 0.876 352 E CB 1.111 30.870 29.700 0.099 0.000 1.035 352 E HN 0.384 nan 8.360 nan 0.000 0.419 353 S N 2.195 118.141 115.700 0.411 0.000 2.565 353 S HA 0.270 4.740 4.470 0.001 0.000 0.276 353 S C 1.199 175.878 174.600 0.131 0.000 1.326 353 S CA -0.219 58.072 58.200 0.152 0.000 1.045 353 S CB 0.849 64.032 63.200 -0.028 0.000 0.918 353 S HN 0.682 nan 8.310 nan 0.000 0.505 354 G N 3.325 112.173 108.800 0.079 0.000 2.920 354 G HA2 0.075 4.036 3.960 0.001 0.000 0.208 354 G HA3 0.075 4.036 3.960 0.001 0.000 0.208 354 G C 0.814 175.725 174.900 0.018 0.000 1.159 354 G CA -0.218 44.917 45.100 0.059 0.000 0.784 354 G HN 0.732 nan 8.290 nan 0.000 0.535 355 R N -0.293 120.193 120.500 -0.022 0.000 2.629 355 R HA 0.507 4.848 4.340 0.001 0.000 0.386 355 R C -0.037 176.183 176.300 -0.133 0.000 1.071 355 R CA -0.059 56.003 56.100 -0.064 0.000 1.104 355 R CB 1.115 31.376 30.300 -0.065 0.000 1.370 355 R HN 0.197 nan 8.270 nan 0.000 0.574 356 A N 1.649 124.384 122.820 -0.142 0.000 2.414 356 A HA 0.672 4.992 4.320 0.001 0.000 0.306 356 A C -2.586 174.979 177.584 -0.032 0.000 1.054 356 A CA -1.626 50.278 52.037 -0.222 0.000 0.724 356 A CB 1.322 19.948 19.000 -0.624 0.000 1.267 356 A HN -0.083 nan 8.150 nan 0.000 0.418 357 P HA 0.488 nan 4.420 nan 0.000 0.277 357 P C -0.629 176.784 177.300 0.189 0.000 1.271 357 P CA -0.070 63.073 63.100 0.072 0.000 0.795 357 P CB 0.876 32.589 31.700 0.022 0.000 1.101 358 T N 1.567 116.193 114.554 0.120 0.000 2.864 358 T HA 0.388 4.738 4.350 0.001 0.000 0.299 358 T C -2.204 172.509 174.700 0.021 0.000 1.011 358 T CA -0.949 61.198 62.100 0.078 0.000 0.975 358 T CB 0.548 69.418 68.868 0.004 0.000 0.962 358 T HN 0.384 nan 8.240 nan 0.000 0.448 359 P HA 0.553 nan 4.420 nan 0.000 0.269 359 P C -0.039 177.317 177.300 0.094 0.000 1.215 359 P CA -0.182 62.938 63.100 0.033 0.000 0.780 359 P CB 0.745 32.445 31.700 -0.001 0.000 0.898 360 G N 0.547 109.450 108.800 0.172 0.000 2.660 360 G HA2 0.507 4.467 3.960 0.001 0.000 0.290 360 G HA3 0.507 4.467 3.960 0.001 0.000 0.290 360 G C -3.318 171.678 174.900 0.160 0.000 1.432 360 G CA -1.237 43.943 45.100 0.133 0.000 0.807 360 G HN 0.255 nan 8.290 nan 0.000 0.485 361 P HA 0.233 nan 4.420 nan 0.000 0.260 361 P C -0.288 177.224 177.300 0.353 0.000 1.185 361 P CA 0.510 63.745 63.100 0.225 0.000 0.763 361 P CB 0.665 32.400 31.700 0.058 0.000 0.776 362 T N 2.742 117.570 114.554 0.457 0.000 2.863 362 T HA 0.432 4.782 4.350 0.001 0.000 0.285 362 T C -0.354 174.625 174.700 0.466 0.000 1.009 362 T CA -0.491 61.874 62.100 0.442 0.000 0.989 362 T CB 1.340 70.416 68.868 0.345 0.000 1.004 362 T HN -0.022 nan 8.240 nan 0.000 0.455 363 V N 3.124 123.251 119.914 0.356 0.000 2.448 363 V HA 0.333 4.454 4.120 0.001 0.000 0.295 363 V C -0.031 176.183 176.094 0.200 0.000 1.025 363 V CA -0.835 61.607 62.300 0.238 0.000 0.859 363 V CB 1.879 33.709 31.823 0.011 0.000 0.988 363 V HN 0.756 nan 8.190 nan 0.000 0.431 364 V N 6.497 126.536 119.914 0.207 0.000 2.370 364 V HA 0.169 4.289 4.120 0.001 0.000 0.257 364 V C 0.045 176.168 176.094 0.048 0.000 1.064 364 V CA -0.119 62.288 62.300 0.179 0.000 0.975 364 V CB 0.794 32.794 31.823 0.295 0.000 1.067 364 V HN 0.599 nan 8.190 nan 0.000 0.485 365 L N 7.681 128.940 121.223 0.060 0.000 2.281 365 L HA 0.475 4.815 4.340 0.001 0.000 0.285 365 L C -0.119 176.782 176.870 0.052 0.000 1.074 365 L CA 0.470 55.313 54.840 0.005 0.000 0.817 365 L CB 1.322 43.386 42.059 0.009 0.000 1.168 365 L HN 0.394 nan 8.230 nan 0.000 0.434 366 V N 5.029 124.955 119.914 0.019 0.000 2.417 366 V HA 0.349 4.469 4.120 0.001 0.000 0.291 366 V C -0.231 175.946 176.094 0.137 0.000 1.024 366 V CA -0.834 61.527 62.300 0.101 0.000 0.861 366 V CB 1.139 32.976 31.823 0.024 0.000 0.985 366 V HN 0.950 nan 8.190 nan 0.000 0.436 367 H N 2.351 121.577 119.070 0.260 0.000 2.607 367 H HA 0.679 5.235 4.556 0.001 0.000 0.367 367 H C 0.588 176.100 175.328 0.306 0.000 1.181 367 H CA 0.243 56.414 56.048 0.204 0.000 1.402 367 H CB 0.694 30.526 29.762 0.118 0.000 1.474 367 H HN 0.711 nan 8.280 nan 0.000 0.596 368 G N -0.471 108.575 108.800 0.410 0.000 2.494 368 G HA2 0.479 4.439 3.960 0.001 0.000 0.270 368 G HA3 0.479 4.439 3.960 0.001 0.000 0.270 368 G C 0.501 175.671 174.900 0.450 0.000 1.423 368 G CA -0.378 44.956 45.100 0.390 0.000 1.055 368 G HN 1.293 nan 8.290 nan 0.000 0.536 369 G N -0.796 108.190 108.800 0.309 0.000 2.222 369 G HA2 -0.134 3.826 3.960 0.001 0.000 0.218 369 G HA3 -0.134 3.826 3.960 0.001 0.000 0.218 369 G C -1.289 173.581 174.900 -0.051 0.000 1.450 369 G CA 0.562 45.756 45.100 0.156 0.000 1.361 369 G HN 0.783 nan 8.290 nan 0.000 0.474 370 P HA 0.246 nan 4.420 nan 0.000 0.245 370 P C 0.437 177.852 177.300 0.192 0.000 1.206 370 P CA 0.259 63.273 63.100 -0.143 0.000 0.781 370 P CB -0.157 31.185 31.700 -0.596 0.000 0.994 371 F N 1.397 121.426 119.950 0.132 0.000 2.678 371 F HA 0.414 4.941 4.527 0.001 0.000 0.358 371 F C 1.084 176.927 175.800 0.073 0.000 1.256 371 F CA -0.704 57.371 58.000 0.126 0.000 1.278 371 F CB -0.069 39.025 39.000 0.156 0.000 1.681 371 F HN 0.015 nan 8.300 nan 0.000 0.661 372 A N 2.523 125.478 122.820 0.225 0.000 2.581 372 A HA 0.728 5.049 4.320 0.001 0.000 0.290 372 A C -1.183 176.171 177.584 -0.383 0.000 1.119 372 A CA -0.826 51.208 52.037 -0.004 0.000 0.670 372 A CB 1.976 21.023 19.000 0.079 0.000 1.280 372 A HN 0.502 nan 8.150 nan 0.000 0.425 373 E N 0.540 120.493 120.200 -0.411 0.000 2.383 373 E HA 0.485 4.835 4.350 0.001 0.000 0.275 373 E C -1.790 174.604 176.600 -0.344 0.000 0.918 373 E CA -0.841 55.271 56.400 -0.479 0.000 0.764 373 E CB 1.809 31.445 29.700 -0.107 0.000 1.252 373 E HN 0.420 nan 8.360 nan 0.000 0.449 374 D N 1.669 121.927 120.400 -0.237 0.000 2.317 374 D HA 0.265 4.905 4.640 0.001 0.000 0.252 374 D C -0.490 175.677 176.300 -0.221 0.000 1.174 374 D CA 0.307 54.229 54.000 -0.130 0.000 0.866 374 D CB 1.543 42.355 40.800 0.021 0.000 1.127 374 D HN 0.529 nan 8.370 nan 0.000 0.467 375 S N 0.879 116.307 115.700 -0.454 0.000 2.720 375 S HA 0.217 4.688 4.470 0.001 0.000 0.287 375 S C -0.492 173.565 174.600 -0.904 0.000 1.168 375 S CA -0.994 56.799 58.200 -0.678 0.000 0.832 375 S CB 1.784 64.815 63.200 -0.282 0.000 1.166 375 S HN 0.177 nan 8.310 nan 0.000 0.493 376 D N 1.312 121.304 120.400 -0.680 0.000 2.597 376 D HA 0.435 5.075 4.640 0.001 0.000 0.228 376 D C -0.782 175.392 176.300 -0.211 0.000 1.120 376 D CA 0.347 54.148 54.000 -0.332 0.000 1.083 376 D CB -0.894 39.880 40.800 -0.042 0.000 1.116 376 D HN 0.460 nan 8.370 nan 0.000 0.487 377 S N 1.823 117.392 115.700 -0.218 0.000 2.549 377 S HA 0.220 4.691 4.470 0.001 0.000 0.280 377 S C -0.734 173.826 174.600 -0.066 0.000 1.109 377 S CA -0.985 57.137 58.200 -0.130 0.000 0.905 377 S CB 1.345 64.468 63.200 -0.128 0.000 1.081 377 S HN 0.392 nan 8.310 nan 0.000 0.477 378 W N 4.101 125.304 121.300 -0.161 0.000 2.385 378 W HA 0.063 4.723 4.660 0.001 0.000 0.336 378 W C -1.013 175.441 176.519 -0.108 0.000 1.351 378 W CA 0.963 58.232 57.345 -0.126 0.000 1.295 378 W CB 0.239 29.618 29.460 -0.135 0.000 1.239 378 W HN 0.606 nan 8.180 nan 0.000 0.565 379 D N 4.982 124.820 120.400 -0.937 0.000 2.620 379 D HA 0.142 4.782 4.640 0.001 0.000 0.252 379 D C 0.770 176.472 176.300 -0.996 0.000 1.207 379 D CA -0.302 53.284 54.000 -0.691 0.000 0.884 379 D CB 1.764 42.371 40.800 -0.322 0.000 1.262 379 D HN 0.300 nan 8.370 nan 0.000 0.552 380 T N 2.814 116.919 114.554 -0.747 0.000 2.737 380 T HA -0.082 4.269 4.350 0.001 0.000 0.265 380 T C 1.792 176.260 174.700 -0.387 0.000 1.038 380 T CA 0.995 62.782 62.100 -0.522 0.000 1.144 380 T CB -0.329 68.345 68.868 -0.322 0.000 0.866 380 T HN 0.440 nan 8.240 nan 0.000 0.434 381 F N 1.786 121.578 119.950 -0.265 0.000 2.087 381 F HA -0.208 4.320 4.527 0.001 0.000 0.299 381 F C 2.771 178.459 175.800 -0.187 0.000 1.100 381 F CA 1.167 59.049 58.000 -0.197 0.000 1.226 381 F CB -0.582 38.319 39.000 -0.165 0.000 0.983 381 F HN 0.149 nan 8.300 nan 0.000 0.479 382 A N -0.135 122.667 122.820 -0.030 0.000 1.873 382 A HA -0.054 4.267 4.320 0.001 0.000 0.215 382 A C 2.336 179.848 177.584 -0.120 0.000 1.186 382 A CA 1.605 53.599 52.037 -0.073 0.000 0.616 382 A CB -1.315 17.617 19.000 -0.114 0.000 0.823 382 A HN 0.328 nan 8.150 nan 0.000 0.442 383 A N 0.196 122.842 122.820 -0.290 0.000 1.933 383 A HA -0.100 4.221 4.320 0.001 0.000 0.218 383 A C 2.522 180.067 177.584 -0.065 0.000 1.175 383 A CA 2.386 54.283 52.037 -0.233 0.000 0.628 383 A CB -0.879 17.841 19.000 -0.466 0.000 0.814 383 A HN 0.994 nan 8.150 nan 0.000 0.444 384 S N -0.227 115.436 115.700 -0.062 0.000 2.387 384 S HA -0.043 4.428 4.470 0.001 0.000 0.226 384 S C 1.913 176.548 174.600 0.058 0.000 1.026 384 S CA 1.196 59.398 58.200 0.004 0.000 0.972 384 S CB -0.655 62.532 63.200 -0.021 0.000 0.814 384 S HN 0.433 nan 8.310 nan 0.000 0.477 385 L N 1.597 122.855 121.223 0.059 0.000 2.046 385 L HA -0.039 4.301 4.340 0.001 0.000 0.208 385 L C 3.265 180.260 176.870 0.209 0.000 1.077 385 L CA 1.222 56.142 54.840 0.134 0.000 0.747 385 L CB -0.981 41.109 42.059 0.052 0.000 0.896 385 L HN 0.473 nan 8.230 nan 0.000 0.432 386 A N 0.271 123.161 122.820 0.116 0.000 1.873 386 A HA -0.297 4.023 4.320 0.001 0.000 0.218 386 A C 2.544 180.170 177.584 0.069 0.000 1.193 386 A CA 2.244 54.336 52.037 0.091 0.000 0.629 386 A CB -0.975 18.064 19.000 0.067 0.000 0.826 386 A HN 0.428 nan 8.150 nan 0.000 0.447 387 A N -0.511 122.351 122.820 0.069 0.000 1.940 387 A HA 0.126 4.447 4.320 0.001 0.000 0.219 387 A C 2.418 180.032 177.584 0.049 0.000 1.176 387 A CA 2.219 54.290 52.037 0.057 0.000 0.631 387 A CB -0.901 18.136 19.000 0.061 0.000 0.814 387 A HN 1.211 nan 8.150 nan 0.000 0.446 388 A N -2.010 120.870 122.820 0.100 0.000 2.119 388 A HA 0.394 4.714 4.320 0.001 0.000 0.216 388 A C 1.701 179.230 177.584 -0.091 0.000 1.152 388 A CA 1.361 53.456 52.037 0.097 0.000 0.708 388 A CB -0.740 18.444 19.000 0.307 0.000 0.805 388 A HN 1.987 nan 8.150 nan 0.000 0.460 389 G N -1.966 106.768 108.800 -0.110 0.000 2.226 389 G HA2 -0.134 3.827 3.960 0.001 0.000 0.176 389 G HA3 -0.134 3.827 3.960 0.001 0.000 0.176 389 G C -0.330 174.234 174.900 -0.560 0.000 1.042 389 G CA -0.217 44.693 45.100 -0.317 0.000 0.732 389 G HN 0.311 nan 8.290 nan 0.000 0.494 390 F N 1.290 121.164 119.950 -0.127 0.000 2.495 390 F HA 0.591 5.118 4.527 0.001 0.000 0.327 390 F C 0.913 176.652 175.800 -0.101 0.000 1.103 390 F CA -1.188 56.746 58.000 -0.110 0.000 0.949 390 F CB 1.174 40.162 39.000 -0.020 0.000 1.142 390 F HN 0.074 nan 8.300 nan 0.000 0.457 391 H N 1.516 120.733 119.070 0.244 0.000 2.757 391 H HA 0.447 5.004 4.556 0.001 0.000 0.370 391 H C -0.499 174.961 175.328 0.219 0.000 1.172 391 H CA -0.061 56.102 56.048 0.192 0.000 1.426 391 H CB 1.276 31.134 29.762 0.161 0.000 1.438 391 H HN 0.282 nan 8.280 nan 0.000 0.612 392 V N 2.651 122.754 119.914 0.314 0.000 2.525 392 V HA 0.168 4.289 4.120 0.001 0.000 0.299 392 V C -0.208 176.015 176.094 0.216 0.000 1.034 392 V CA -0.779 61.656 62.300 0.224 0.000 0.863 392 V CB 1.964 33.877 31.823 0.149 0.000 0.999 392 V HN 0.409 nan 8.190 nan 0.000 0.423 393 V N 6.098 126.144 119.914 0.220 0.000 2.370 393 V HA 0.512 4.633 4.120 0.001 0.000 0.283 393 V C -0.050 176.146 176.094 0.170 0.000 1.023 393 V CA -0.308 62.121 62.300 0.214 0.000 0.857 393 V CB 1.592 33.585 31.823 0.284 0.000 0.985 393 V HN 0.896 nan 8.190 nan 0.000 0.443 394 M N 7.876 127.563 119.600 0.145 0.000 2.182 394 M HA 0.333 4.813 4.480 0.001 0.000 0.285 394 M C -2.775 173.613 176.300 0.147 0.000 0.956 394 M CA -1.512 53.879 55.300 0.151 0.000 0.878 394 M CB 1.977 34.660 32.600 0.139 0.000 1.373 394 M HN 0.346 nan 8.290 nan 0.000 0.393 395 P HA 0.105 nan 4.420 nan 0.000 0.281 395 P C -0.837 176.589 177.300 0.211 0.000 1.286 395 P CA -0.164 63.034 63.100 0.162 0.000 0.772 395 P CB 0.463 32.300 31.700 0.229 0.000 0.862 396 N N 3.748 122.510 118.700 0.103 0.000 3.103 396 N HA 0.018 4.759 4.740 0.001 0.000 0.305 396 N C 0.382 176.044 175.510 0.254 0.000 1.232 396 N CA -0.069 53.032 53.050 0.085 0.000 1.190 396 N CB -0.622 37.863 38.487 -0.003 0.000 1.461 396 N HN 0.460 nan 8.380 nan 0.000 0.538 397 Y N -0.011 120.528 120.300 0.399 0.000 2.641 397 Y HA -0.035 4.516 4.550 0.001 0.000 0.351 397 Y C 1.156 177.143 175.900 0.145 0.000 1.269 397 Y CA -1.168 57.145 58.100 0.355 0.000 1.485 397 Y CB 0.207 38.773 38.460 0.178 0.000 1.364 397 Y HN 0.242 nan 8.280 nan 0.000 0.651 398 R N 0.989 121.360 120.500 -0.215 0.000 2.623 398 R HA 0.384 4.725 4.340 0.001 0.000 0.271 398 R C 0.857 176.982 176.300 -0.292 0.000 1.043 398 R CA 0.417 55.747 56.100 -1.283 0.000 1.083 398 R CB -0.137 29.280 30.300 -1.473 0.000 0.974 398 R HN 1.409 nan 8.270 nan 0.000 0.436 399 G N 1.660 110.300 108.800 -0.266 0.000 2.234 399 G HA2 -0.287 3.673 3.960 0.001 0.000 0.235 399 G HA3 -0.287 3.673 3.960 0.001 0.000 0.235 399 G C -0.118 174.944 174.900 0.270 0.000 0.997 399 G CA 0.143 45.334 45.100 0.152 0.000 0.623 399 G HN 0.680 nan 8.290 nan 0.000 0.514 400 S N 1.815 117.592 115.700 0.128 0.000 2.572 400 S HA 0.508 4.979 4.470 0.001 0.000 0.279 400 S C 1.011 175.777 174.600 0.278 0.000 1.341 400 S CA 0.456 58.775 58.200 0.199 0.000 1.043 400 S CB 1.127 64.450 63.200 0.206 0.000 0.887 400 S HN 1.160 nan 8.310 nan 0.000 0.516 401 T N -0.646 114.028 114.554 0.200 0.000 2.754 401 T HA 0.555 4.906 4.350 0.001 0.000 0.286 401 T C 1.333 176.147 174.700 0.191 0.000 0.997 401 T CA -0.090 62.104 62.100 0.157 0.000 0.982 401 T CB 0.487 69.403 68.868 0.080 0.000 1.027 401 T HN 1.275 nan 8.240 nan 0.000 0.529 402 G N -0.186 108.651 108.800 0.062 0.000 2.195 402 G HA2 -0.234 3.726 3.960 0.001 0.000 0.246 402 G HA3 -0.234 3.726 3.960 0.001 0.000 0.246 402 G C 0.174 174.793 174.900 -0.468 0.000 0.984 402 G CA 0.309 45.299 45.100 -0.185 0.000 0.633 402 G HN 0.813 nan 8.290 nan 0.000 0.525 403 Y N 0.630 121.012 120.300 0.136 0.000 2.738 403 Y HA 0.502 5.053 4.550 0.001 0.000 0.249 403 Y C 1.201 177.185 175.900 0.139 0.000 1.153 403 Y CA 0.211 58.386 58.100 0.125 0.000 1.165 403 Y CB 1.127 39.644 38.460 0.096 0.000 1.235 403 Y HN 1.227 nan 8.280 nan 0.000 0.559 404 G N 0.548 109.462 108.800 0.190 0.000 2.587 404 G HA2 -0.204 3.757 3.960 0.001 0.000 0.686 404 G HA3 -0.204 3.757 3.960 0.001 0.000 0.686 404 G C 0.112 175.096 174.900 0.139 0.000 1.236 404 G CA -0.281 44.899 45.100 0.133 0.000 0.820 404 G HN 0.158 nan 8.290 nan 0.000 0.645 405 E N -0.121 120.115 120.200 0.060 0.000 2.118 405 E HA -0.147 4.203 4.350 0.001 0.000 0.195 405 E C 2.042 178.689 176.600 0.078 0.000 0.992 405 E CA 2.398 58.814 56.400 0.026 0.000 0.804 405 E CB -0.049 29.636 29.700 -0.025 0.000 0.741 405 E HN 0.670 nan 8.360 nan 0.000 0.458 406 E N -0.411 119.863 120.200 0.124 0.000 2.031 406 E HA -0.203 4.147 4.350 0.001 0.000 0.193 406 E C 1.881 178.627 176.600 0.244 0.000 0.994 406 E CA 1.228 57.721 56.400 0.156 0.000 0.800 406 E CB -0.529 29.265 29.700 0.156 0.000 0.752 406 E HN 0.550 nan 8.360 nan 0.000 0.447 407 W N 1.662 123.022 121.300 0.099 0.000 2.338 407 W HA -0.208 4.453 4.660 0.001 0.000 0.304 407 W C 2.370 178.984 176.519 0.160 0.000 1.212 407 W CA 1.415 58.841 57.345 0.135 0.000 1.264 407 W CB -0.110 29.447 29.460 0.161 0.000 1.142 407 W HN 0.112 nan 8.180 nan 0.000 0.512 408 R N 0.368 120.977 120.500 0.182 0.000 2.081 408 R HA -0.153 4.187 4.340 0.001 0.000 0.235 408 R C 2.238 178.593 176.300 0.091 0.000 1.131 408 R CA 1.529 57.686 56.100 0.094 0.000 0.960 408 R CB -0.627 29.689 30.300 0.028 0.000 0.856 408 R HN 0.239 nan 8.270 nan 0.000 0.436 409 L N 0.249 121.509 121.223 0.062 0.000 2.591 409 L HA 0.049 4.390 4.340 0.001 0.000 0.228 409 L C 1.898 178.802 176.870 0.057 0.000 1.133 409 L CA 0.344 55.229 54.840 0.074 0.000 0.880 409 L CB -0.058 42.026 42.059 0.042 0.000 1.033 409 L HN 0.117 nan 8.230 nan 0.000 0.450 410 K N 0.533 120.940 120.400 0.011 0.000 2.209 410 K HA -0.144 4.177 4.320 0.001 0.000 0.204 410 K C 2.006 178.600 176.600 -0.011 0.000 1.048 410 K CA 1.131 57.410 56.287 -0.013 0.000 0.940 410 K CB 0.034 32.483 32.500 -0.085 0.000 0.729 410 K HN 0.300 nan 8.250 nan 0.000 0.451 411 I N 1.156 121.725 120.570 -0.002 0.000 2.546 411 I HA -0.123 4.048 4.170 0.001 0.000 0.255 411 I C 0.209 176.334 176.117 0.014 0.000 1.163 411 I CA 0.326 61.637 61.300 0.018 0.000 1.457 411 I CB 0.299 38.325 38.000 0.044 0.000 1.092 411 I HN -0.026 nan 8.210 nan 0.000 0.434 412 I N 2.517 123.104 120.570 0.028 0.000 2.662 412 I HA 0.001 4.171 4.170 0.001 0.000 0.285 412 I C 1.485 177.586 176.117 -0.027 0.000 1.161 412 I CA 1.297 62.593 61.300 -0.006 0.000 1.415 412 I CB -0.699 37.319 38.000 0.030 0.000 1.385 412 I HN 0.526 nan 8.210 nan 0.000 0.552 413 G N 5.586 114.345 108.800 -0.070 0.000 2.176 413 G HA2 -0.259 3.702 3.960 0.001 0.000 0.253 413 G HA3 -0.259 3.702 3.960 0.001 0.000 0.253 413 G C 0.269 175.143 174.900 -0.044 0.000 0.979 413 G CA 0.328 45.389 45.100 -0.065 0.000 0.641 413 G HN 0.619 nan 8.290 nan 0.000 0.530 414 D N 0.460 120.845 120.400 -0.025 0.000 2.940 414 D HA 0.315 4.955 4.640 0.001 0.000 0.366 414 D C -2.104 174.226 176.300 0.050 0.000 1.446 414 D CA -0.981 53.025 54.000 0.008 0.000 0.780 414 D CB 1.024 41.837 40.800 0.021 0.000 1.206 414 D HN 0.290 nan 8.370 nan 0.000 0.454 415 P HA 0.061 nan 4.420 nan 0.000 0.271 415 P C 0.318 177.780 177.300 0.270 0.000 1.216 415 P CA -0.043 63.215 63.100 0.262 0.000 0.776 415 P CB 1.262 33.123 31.700 0.268 0.000 0.881 416 C N 2.254 121.698 119.300 0.240 0.000 4.300 416 C HA -0.081 4.380 4.460 0.001 0.000 0.304 416 C C 1.150 176.129 174.990 -0.018 0.000 1.367 416 C CA 0.985 60.012 59.018 0.015 0.000 2.032 416 C CB -2.227 25.547 27.740 0.056 0.000 1.285 416 C HN 0.877 nan 8.230 nan 0.000 0.737 417 G N -0.005 108.775 108.800 -0.034 0.000 3.324 417 G HA2 0.525 4.486 3.960 0.001 0.000 0.188 417 G HA3 0.525 4.486 3.960 0.001 0.000 0.188 417 G C 1.107 175.911 174.900 -0.160 0.000 1.384 417 G CA 0.561 45.611 45.100 -0.084 0.000 0.841 417 G HN 1.109 nan 8.290 nan 0.000 0.758 418 G N 0.662 109.392 108.800 -0.117 0.000 2.448 418 G HA2 -0.098 3.863 3.960 0.001 0.000 0.219 418 G HA3 -0.098 3.863 3.960 0.001 0.000 0.219 418 G C 1.457 176.351 174.900 -0.010 0.000 1.127 418 G CA 1.742 46.781 45.100 -0.103 0.000 0.766 418 G HN 0.576 nan 8.290 nan 0.000 0.552 419 E N 0.559 120.748 120.200 -0.019 0.000 2.208 419 E HA -0.057 4.294 4.350 0.001 0.000 0.193 419 E C 2.300 178.852 176.600 -0.081 0.000 0.988 419 E CA 0.519 56.912 56.400 -0.012 0.000 0.828 419 E CB -0.471 29.207 29.700 -0.038 0.000 0.763 419 E HN 0.356 nan 8.360 nan 0.000 0.478 420 L N 1.663 122.814 121.223 -0.119 0.000 2.072 420 L HA -0.082 4.259 4.340 0.001 0.000 0.205 420 L C 2.189 179.024 176.870 -0.059 0.000 1.079 420 L CA 1.688 56.453 54.840 -0.125 0.000 0.752 420 L CB -0.382 41.583 42.059 -0.158 0.000 0.906 420 L HN -0.082 nan 8.230 nan 0.000 0.436 421 E N 0.069 120.208 120.200 -0.102 0.000 2.077 421 E HA -0.212 4.138 4.350 0.001 0.000 0.193 421 E C 1.857 178.530 176.600 0.122 0.000 0.989 421 E CA 1.407 57.771 56.400 -0.061 0.000 0.800 421 E CB -0.410 29.095 29.700 -0.325 0.000 0.746 421 E HN 0.573 nan 8.360 nan 0.000 0.452 422 D N 0.543 121.058 120.400 0.192 0.000 2.097 422 D HA -0.120 4.520 4.640 0.001 0.000 0.195 422 D C 2.220 178.663 176.300 0.239 0.000 0.989 422 D CA 0.859 55.034 54.000 0.292 0.000 0.827 422 D CB -0.460 40.591 40.800 0.418 0.000 0.966 422 D HN 0.011 nan 8.370 nan 0.000 0.456 423 V N 1.134 121.168 119.914 0.199 0.000 2.282 423 V HA -0.275 3.845 4.120 0.001 0.000 0.249 423 V C 2.551 178.766 176.094 0.203 0.000 1.057 423 V CA 2.013 64.431 62.300 0.197 0.000 1.032 423 V CB -0.717 31.174 31.823 0.114 0.000 0.645 423 V HN 0.147 nan 8.190 nan 0.000 0.447 424 S N 0.169 115.956 115.700 0.145 0.000 2.368 424 S HA -0.185 4.285 4.470 0.001 0.000 0.225 424 S C 2.216 176.874 174.600 0.096 0.000 1.030 424 S CA 1.439 59.694 58.200 0.092 0.000 0.999 424 S CB -0.590 62.630 63.200 0.033 0.000 0.844 424 S HN 0.675 nan 8.310 nan 0.000 0.459 425 A N 1.489 124.391 122.820 0.137 0.000 1.978 425 A HA 0.080 4.400 4.320 0.001 0.000 0.220 425 A C 2.322 180.021 177.584 0.192 0.000 1.170 425 A CA 1.690 53.823 52.037 0.160 0.000 0.636 425 A CB -0.967 18.143 19.000 0.184 0.000 0.810 425 A HN 0.520 nan 8.150 nan 0.000 0.448 426 A N -0.150 122.786 122.820 0.192 0.000 1.898 426 A HA 0.191 4.512 4.320 0.001 0.000 0.216 426 A C 2.499 180.259 177.584 0.293 0.000 1.181 426 A CA 1.977 54.146 52.037 0.220 0.000 0.620 426 A CB -0.979 18.135 19.000 0.190 0.000 0.819 426 A HN 0.988 nan 8.150 nan 0.000 0.442 427 A N -0.060 122.887 122.820 0.212 0.000 1.845 427 A HA -0.174 4.146 4.320 0.001 0.000 0.215 427 A C 2.233 179.862 177.584 0.074 0.000 1.195 427 A CA 1.550 53.660 52.037 0.122 0.000 0.616 427 A CB -0.587 18.337 19.000 -0.125 0.000 0.832 427 A HN 0.518 nan 8.150 nan 0.000 0.443 428 R N -2.033 118.496 120.500 0.048 0.000 2.113 428 R HA -0.263 4.078 4.340 0.001 0.000 0.244 428 R C 2.066 178.424 176.300 0.097 0.000 1.142 428 R CA 1.949 58.073 56.100 0.041 0.000 0.953 428 R CB -0.553 29.778 30.300 0.052 0.000 0.860 428 R HN 0.809 nan 8.270 nan 0.000 0.438 429 W N 1.323 122.631 121.300 0.013 0.000 2.338 429 W HA -0.239 4.421 4.660 0.001 0.000 0.304 429 W C 2.287 178.816 176.519 0.017 0.000 1.212 429 W CA 1.918 59.275 57.345 0.020 0.000 1.264 429 W CB -0.384 29.095 29.460 0.033 0.000 1.142 429 W HN 0.143 nan 8.180 nan 0.000 0.512 430 A N 0.962 123.880 122.820 0.163 0.000 1.903 430 A HA -0.289 4.032 4.320 0.001 0.000 0.219 430 A C 2.086 179.519 177.584 -0.252 0.000 1.191 430 A CA 2.326 54.322 52.037 -0.068 0.000 0.638 430 A CB -0.930 18.171 19.000 0.169 0.000 0.823 430 A HN 0.454 nan 8.150 nan 0.000 0.451 431 R N -0.780 119.630 120.500 -0.150 0.000 2.062 431 R HA -0.096 4.244 4.340 0.001 0.000 0.231 431 R C 2.196 178.371 176.300 -0.207 0.000 1.136 431 R CA 1.552 57.565 56.100 -0.146 0.000 0.948 431 R CB -0.374 29.867 30.300 -0.097 0.000 0.845 431 R HN 0.709 nan 8.270 nan 0.000 0.430 432 E N 0.521 120.586 120.200 -0.224 0.000 2.150 432 E HA -0.128 4.222 4.350 0.001 0.000 0.193 432 E C 1.976 178.384 176.600 -0.320 0.000 0.985 432 E CA 1.450 57.724 56.400 -0.211 0.000 0.814 432 E CB 0.001 29.624 29.700 -0.128 0.000 0.752 432 E HN 0.333 nan 8.360 nan 0.000 0.466 433 S N -0.607 114.724 115.700 -0.616 0.000 2.447 433 S HA -0.019 4.452 4.470 0.001 0.000 0.233 433 S C 1.792 176.158 174.600 -0.391 0.000 1.006 433 S CA 0.784 58.578 58.200 -0.676 0.000 0.957 433 S CB 0.099 62.418 63.200 -1.467 0.000 0.773 433 S HN 0.436 nan 8.310 nan 0.000 0.507 434 G N 0.484 109.089 108.800 -0.325 0.000 2.218 434 G HA2 -0.231 3.729 3.960 0.001 0.000 0.216 434 G HA3 -0.231 3.729 3.960 0.001 0.000 0.216 434 G C 0.515 175.302 174.900 -0.188 0.000 0.994 434 G CA 0.213 45.192 45.100 -0.202 0.000 0.637 434 G HN 0.486 nan 8.290 nan 0.000 0.505 435 L N 1.546 122.604 121.223 -0.274 0.000 2.056 435 L HA 0.646 4.987 4.340 0.001 0.000 0.207 435 L C 1.771 178.611 176.870 -0.050 0.000 1.078 435 L CA 2.618 57.332 54.840 -0.211 0.000 0.749 435 L CB -0.334 41.568 42.059 -0.262 0.000 0.901 435 L HN 0.871 nan 8.230 nan 0.000 0.433 436 A N -1.826 120.967 122.820 -0.045 0.000 2.304 436 A HA 0.504 4.824 4.320 0.001 0.000 0.323 436 A C 1.026 178.621 177.584 0.020 0.000 1.195 436 A CA 0.134 52.200 52.037 0.048 0.000 0.826 436 A CB 0.763 19.794 19.000 0.051 0.000 1.184 436 A HN 0.388 nan 8.150 nan 0.000 0.496 437 S N 1.357 117.090 115.700 0.054 0.000 2.439 437 S HA 0.119 4.589 4.470 0.001 0.000 0.224 437 S C 0.405 175.010 174.600 0.008 0.000 1.029 437 S CA 0.677 58.892 58.200 0.024 0.000 0.946 437 S CB -0.271 62.950 63.200 0.034 0.000 0.797 437 S HN 0.867 nan 8.310 nan 0.000 0.504 438 E N 0.146 120.362 120.200 0.027 0.000 2.372 438 E HA 0.587 4.937 4.350 0.001 0.000 0.279 438 E C -1.739 174.808 176.600 -0.088 0.000 0.946 438 E CA -1.010 55.352 56.400 -0.064 0.000 0.769 438 E CB 1.174 30.822 29.700 -0.087 0.000 1.230 438 E HN 0.147 nan 8.360 nan 0.000 0.442 439 L N 2.412 123.518 121.223 -0.195 0.000 2.307 439 L HA 0.516 4.856 4.340 0.001 0.000 0.284 439 L C -1.142 175.636 176.870 -0.154 0.000 1.023 439 L CA -0.825 53.991 54.840 -0.040 0.000 0.810 439 L CB 0.646 42.711 42.059 0.011 0.000 1.231 439 L HN 0.565 nan 8.230 nan 0.000 0.423 440 Y N 3.058 123.557 120.300 0.332 0.000 2.549 440 Y HA 0.621 5.171 4.550 0.001 0.000 0.339 440 Y C -0.208 175.675 175.900 -0.029 0.000 1.053 440 Y CA -0.740 57.473 58.100 0.189 0.000 1.105 440 Y CB 2.315 40.805 38.460 0.051 0.000 1.258 440 Y HN 0.372 nan 8.280 nan 0.000 0.478 441 I N 3.292 123.725 120.570 -0.229 0.000 2.509 441 I HA 0.610 4.780 4.170 0.001 0.000 0.293 441 I C -1.370 174.590 176.117 -0.261 0.000 1.020 441 I CA -0.856 60.111 61.300 -0.554 0.000 1.088 441 I CB 1.389 38.593 38.000 -1.328 0.000 1.267 441 I HN 0.811 nan 8.210 nan 0.000 0.430 442 M N 6.867 126.337 119.600 -0.217 0.000 2.371 442 M HA 0.755 5.235 4.480 0.001 0.000 0.287 442 M C -1.469 174.710 176.300 -0.202 0.000 1.149 442 M CA -0.216 54.974 55.300 -0.183 0.000 0.929 442 M CB 2.197 34.697 32.600 -0.167 0.000 1.683 442 M HN 0.693 nan 8.290 nan 0.000 0.470 443 G N 2.214 110.887 108.800 -0.211 0.000 2.667 443 G HA2 0.488 4.448 3.960 0.001 0.000 0.294 443 G HA3 0.488 4.448 3.960 0.001 0.000 0.294 443 G C -2.982 171.830 174.900 -0.147 0.000 1.467 443 G CA -0.473 44.512 45.100 -0.191 0.000 0.852 443 G HN 0.705 nan 8.290 nan 0.000 0.521 444 Y N 1.207 121.340 120.300 -0.279 0.000 2.468 444 Y HA 0.658 5.209 4.550 0.001 0.000 0.342 444 Y C 1.049 176.915 175.900 -0.056 0.000 1.021 444 Y CA 0.848 58.820 58.100 -0.213 0.000 1.079 444 Y CB 2.203 40.499 38.460 -0.272 0.000 1.226 444 Y HN 1.406 nan 8.280 nan 0.000 0.460 445 S N 2.384 117.786 115.700 -0.497 0.000 4.064 445 S HA -0.423 4.047 4.470 0.001 0.000 0.625 445 S C 0.966 175.580 174.600 0.023 0.000 2.010 445 S CA 1.643 59.761 58.200 -0.137 0.000 4.186 445 S CB -1.695 61.611 63.200 0.177 0.000 0.211 445 S HN 0.965 nan 8.310 nan 0.000 0.605 446 Y N 2.150 122.485 120.300 0.058 0.000 2.256 446 Y HA 0.021 4.571 4.550 0.001 0.000 0.288 446 Y C 2.298 178.253 175.900 0.091 0.000 1.155 446 Y CA 2.488 60.656 58.100 0.113 0.000 1.203 446 Y CB -0.943 37.616 38.460 0.165 0.000 0.980 446 Y HN 0.524 nan 8.280 nan 0.000 0.530 447 G N -1.199 107.686 108.800 0.141 0.000 2.484 447 G HA2 -0.150 3.810 3.960 0.001 0.000 0.218 447 G HA3 -0.150 3.810 3.960 0.001 0.000 0.218 447 G C 1.837 176.676 174.900 -0.102 0.000 1.130 447 G CA 0.622 45.731 45.100 0.014 0.000 0.784 447 G HN 0.558 nan 8.290 nan 0.000 0.543 448 G N -0.143 108.591 108.800 -0.109 0.000 2.408 448 G HA2 -0.179 3.782 3.960 0.001 0.000 0.215 448 G HA3 -0.179 3.782 3.960 0.001 0.000 0.215 448 G C 1.550 176.358 174.900 -0.154 0.000 1.156 448 G CA 0.881 45.893 45.100 -0.146 0.000 0.793 448 G HN 0.352 nan 8.290 nan 0.000 0.535 449 Y N 1.128 121.232 120.300 -0.327 0.000 2.114 449 Y HA -0.195 4.355 4.550 0.001 0.000 0.282 449 Y C 2.718 178.391 175.900 -0.379 0.000 1.165 449 Y CA 1.643 59.491 58.100 -0.420 0.000 1.148 449 Y CB -0.158 37.910 38.460 -0.653 0.000 0.972 449 Y HN 0.076 nan 8.280 nan 0.000 0.504 450 M N -0.417 118.888 119.600 -0.491 0.000 2.067 450 M HA -0.218 4.263 4.480 0.001 0.000 0.260 450 M C 2.131 178.219 176.300 -0.354 0.000 1.069 450 M CA 2.207 57.215 55.300 -0.487 0.000 1.117 450 M CB -1.652 30.732 32.600 -0.360 0.000 1.334 450 M HN 0.245 nan 8.290 nan 0.000 0.407 451 T N 1.837 116.221 114.554 -0.284 0.000 2.620 451 T HA -0.214 4.136 4.350 0.001 0.000 0.267 451 T C 1.992 176.562 174.700 -0.216 0.000 1.044 451 T CA 1.656 63.603 62.100 -0.256 0.000 1.161 451 T CB -0.522 68.218 68.868 -0.213 0.000 0.862 451 T HN 0.332 nan 8.240 nan 0.000 0.438 452 L N 0.138 121.229 121.223 -0.220 0.000 2.093 452 L HA -0.082 4.258 4.340 0.001 0.000 0.208 452 L C 2.944 179.700 176.870 -0.190 0.000 1.085 452 L CA 0.933 55.666 54.840 -0.178 0.000 0.755 452 L CB -0.664 41.299 42.059 -0.160 0.000 0.904 452 L HN 0.416 nan 8.230 nan 0.000 0.435 453 C N -0.227 118.883 119.300 -0.316 0.000 2.440 453 C HA -0.060 4.400 4.460 0.001 0.000 0.278 453 C C 3.154 178.038 174.990 -0.177 0.000 1.295 453 C CA 0.421 59.262 59.018 -0.295 0.000 1.738 453 C CB -1.076 26.359 27.740 -0.509 0.000 1.987 453 C HN 0.600 nan 8.230 nan 0.000 0.492 454 A N 0.700 123.426 122.820 -0.158 0.000 1.892 454 A HA -0.150 4.170 4.320 0.001 0.000 0.218 454 A C 2.116 179.725 177.584 0.042 0.000 1.188 454 A CA 1.649 53.680 52.037 -0.009 0.000 0.631 454 A CB -0.621 18.379 19.000 -0.000 0.000 0.822 454 A HN 0.625 nan 8.150 nan 0.000 0.447 455 L N -0.429 120.791 121.223 -0.005 0.000 2.341 455 L HA -0.069 4.272 4.340 0.001 0.000 0.214 455 L C 2.686 179.562 176.870 0.009 0.000 1.115 455 L CA 1.570 56.428 54.840 0.029 0.000 0.820 455 L CB -0.716 41.352 42.059 0.015 0.000 0.944 455 L HN 0.663 nan 8.230 nan 0.000 0.452 456 T N -3.307 111.235 114.554 -0.020 0.000 2.901 456 T HA -0.012 4.338 4.350 0.001 0.000 0.252 456 T C 1.804 176.479 174.700 -0.042 0.000 1.035 456 T CA 0.385 62.477 62.100 -0.013 0.000 1.142 456 T CB 0.017 68.892 68.868 0.013 0.000 0.869 456 T HN -0.013 nan 8.240 nan 0.000 0.442 457 M N 0.907 120.467 119.600 -0.067 0.000 2.476 457 M HA 0.276 4.756 4.480 0.001 0.000 0.262 457 M C 0.591 176.854 176.300 -0.062 0.000 1.111 457 M CA 0.856 56.100 55.300 -0.093 0.000 1.127 457 M CB -0.460 32.069 32.600 -0.119 0.000 1.376 457 M HN 0.157 nan 8.290 nan 0.000 0.465 458 K N 1.197 121.580 120.400 -0.027 0.000 3.163 458 K HA 0.334 4.655 4.320 0.001 0.000 0.186 458 K C -2.592 174.014 176.600 0.011 0.000 1.111 458 K CA -1.343 54.936 56.287 -0.014 0.000 0.918 458 K CB 0.780 33.278 32.500 -0.002 0.000 1.059 458 K HN 0.080 nan 8.250 nan 0.000 0.558 459 P HA -0.048 nan 4.420 nan 0.000 0.264 459 P C 0.817 178.118 177.300 0.003 0.000 1.193 459 P CA 1.087 64.198 63.100 0.018 0.000 0.763 459 P CB 0.638 32.343 31.700 0.008 0.000 0.810 460 G N 1.985 110.793 108.800 0.013 0.000 2.157 460 G HA2 -0.297 3.663 3.960 0.001 0.000 0.248 460 G HA3 -0.297 3.663 3.960 0.001 0.000 0.248 460 G C 0.428 175.287 174.900 -0.068 0.000 0.979 460 G CA 0.249 45.339 45.100 -0.017 0.000 0.650 460 G HN 0.570 nan 8.290 nan 0.000 0.529 461 L N -0.484 120.677 121.223 -0.103 0.000 2.102 461 L HA 0.608 4.948 4.340 0.001 0.000 0.202 461 L C 1.048 177.654 176.870 -0.440 0.000 1.076 461 L CA 0.973 55.636 54.840 -0.294 0.000 0.761 461 L CB -0.239 41.590 42.059 -0.384 0.000 0.921 461 L HN 0.187 nan 8.230 nan 0.000 0.444 462 F N -0.440 119.488 119.950 -0.037 0.000 2.440 462 F HA 0.320 4.848 4.527 0.001 0.000 0.328 462 F C 1.549 177.305 175.800 -0.073 0.000 1.070 462 F CA -0.448 57.518 58.000 -0.057 0.000 1.011 462 F CB 1.181 40.172 39.000 -0.015 0.000 1.226 462 F HN -0.234 nan 8.300 nan 0.000 0.491 463 K N 1.085 121.518 120.400 0.055 0.000 2.128 463 K HA 0.390 4.711 4.320 0.001 0.000 0.202 463 K C -0.009 176.666 176.600 0.126 0.000 1.050 463 K CA 0.749 57.012 56.287 -0.040 0.000 0.966 463 K CB 0.277 32.573 32.500 -0.341 0.000 0.759 463 K HN 0.700 nan 8.250 nan 0.000 0.454 464 A N -0.430 122.545 122.820 0.259 0.000 2.593 464 A HA 0.667 4.987 4.320 0.001 0.000 0.290 464 A C -1.132 176.648 177.584 0.328 0.000 1.126 464 A CA -0.456 51.806 52.037 0.375 0.000 0.695 464 A CB 1.832 21.107 19.000 0.458 0.000 1.290 464 A HN 0.195 nan 8.150 nan 0.000 0.414 465 G N -0.338 108.641 108.800 0.298 0.000 2.707 465 G HA2 0.580 4.541 3.960 0.001 0.000 0.299 465 G HA3 0.580 4.541 3.960 0.001 0.000 0.299 465 G C -1.377 173.554 174.900 0.051 0.000 1.442 465 G CA -0.354 44.801 45.100 0.091 0.000 1.009 465 G HN 0.985 nan 8.290 nan 0.000 0.515 466 V N 1.247 121.150 119.914 -0.018 0.000 2.394 466 V HA 0.726 4.846 4.120 0.001 0.000 0.282 466 V C 0.413 176.436 176.094 -0.119 0.000 1.031 466 V CA -0.567 61.678 62.300 -0.093 0.000 0.881 466 V CB 1.376 33.165 31.823 -0.057 0.000 0.982 466 V HN 1.083 nan 8.190 nan 0.000 0.451 467 A N 3.907 126.658 122.820 -0.115 0.000 2.409 467 A HA 0.782 5.102 4.320 0.001 0.000 0.300 467 A C 0.214 177.751 177.584 -0.079 0.000 1.273 467 A CA -0.177 51.793 52.037 -0.111 0.000 0.774 467 A CB 0.795 19.726 19.000 -0.116 0.000 1.144 467 A HN 0.987 nan 8.150 nan 0.000 0.472 468 G N 0.844 109.594 108.800 -0.083 0.000 2.371 468 G HA2 0.636 4.597 3.960 0.001 0.000 0.326 468 G HA3 0.636 4.597 3.960 0.001 0.000 0.326 468 G C 0.760 175.426 174.900 -0.390 0.000 1.127 468 G CA 0.113 45.169 45.100 -0.073 0.000 0.885 468 G HN 2.287 nan 8.290 nan 0.000 0.477 469 A N 1.320 123.813 122.820 -0.544 0.000 2.596 469 A HA -0.110 4.210 4.320 0.001 0.000 0.300 469 A C 1.081 178.423 177.584 -0.402 0.000 1.495 469 A CA 0.955 52.456 52.037 -0.893 0.000 0.769 469 A CB -2.080 16.026 19.000 -1.490 0.000 1.047 469 A HN 1.261 nan 8.150 nan 0.000 0.436 470 S N -1.248 114.396 115.700 -0.092 0.000 2.617 470 S HA 0.507 4.977 4.470 0.001 0.000 0.269 470 S C 0.575 175.120 174.600 -0.092 0.000 1.292 470 S CA -0.278 57.867 58.200 -0.092 0.000 1.010 470 S CB 1.613 64.769 63.200 -0.074 0.000 0.944 470 S HN 0.795 nan 8.310 nan 0.000 0.536 471 V N 2.400 122.192 119.914 -0.203 0.000 2.546 471 V HA 0.223 4.343 4.120 0.001 0.000 0.284 471 V C 0.614 176.521 176.094 -0.312 0.000 1.050 471 V CA -0.092 61.961 62.300 -0.412 0.000 0.981 471 V CB 1.288 32.549 31.823 -0.936 0.000 0.990 471 V HN 0.830 nan 8.190 nan 0.000 0.474 472 V N 1.851 121.562 119.914 -0.337 0.000 3.137 472 V HA 0.304 4.425 4.120 0.001 0.000 0.236 472 V C -0.137 175.809 176.094 -0.248 0.000 1.260 472 V CA 0.377 62.538 62.300 -0.231 0.000 1.244 472 V CB 0.796 32.499 31.823 -0.199 0.000 1.016 472 V HN 0.892 nan 8.190 nan 0.000 0.477 473 D N -1.679 118.544 120.400 -0.296 0.000 2.616 473 D HA 0.218 4.859 4.640 0.001 0.000 0.238 473 D C 0.042 176.245 176.300 -0.162 0.000 1.354 473 D CA -0.583 53.300 54.000 -0.195 0.000 0.970 473 D CB 0.961 41.699 40.800 -0.103 0.000 1.369 473 D HN 0.124 nan 8.370 nan 0.000 0.585 474 W N 2.166 123.443 121.300 -0.038 0.000 2.350 474 W HA -0.061 4.599 4.660 0.001 0.000 0.289 474 W C 1.900 178.438 176.519 0.031 0.000 1.215 474 W CA 0.447 57.780 57.345 -0.020 0.000 1.236 474 W CB 0.201 29.639 29.460 -0.036 0.000 1.130 474 W HN 0.502 nan 8.180 nan 0.000 0.541 475 E N -0.006 120.328 120.200 0.225 0.000 2.046 475 E HA -0.223 4.128 4.350 0.001 0.000 0.190 475 E C 1.917 178.612 176.600 0.159 0.000 0.982 475 E CA 1.269 57.763 56.400 0.156 0.000 0.800 475 E CB -0.292 29.458 29.700 0.083 0.000 0.756 475 E HN 0.378 nan 8.360 nan 0.000 0.449 476 E N 0.706 120.959 120.200 0.088 0.000 2.107 476 E HA -0.144 4.207 4.350 0.001 0.000 0.191 476 E C 2.132 178.771 176.600 0.064 0.000 0.982 476 E CA 0.447 56.881 56.400 0.056 0.000 0.809 476 E CB 0.024 29.723 29.700 -0.003 0.000 0.756 476 E HN 0.134 nan 8.360 nan 0.000 0.459 477 M N -0.054 119.580 119.600 0.058 0.000 2.144 477 M HA -0.243 4.237 4.480 0.001 0.000 0.260 477 M C 2.058 178.444 176.300 0.143 0.000 1.067 477 M CA 1.626 56.959 55.300 0.054 0.000 1.095 477 M CB -0.215 32.393 32.600 0.014 0.000 1.365 477 M HN 0.246 nan 8.290 nan 0.000 0.406 478 Y N 1.061 121.426 120.300 0.107 0.000 2.133 478 Y HA -0.234 4.316 4.550 0.001 0.000 0.287 478 Y C 1.924 177.873 175.900 0.082 0.000 1.134 478 Y CA 2.320 60.495 58.100 0.126 0.000 1.133 478 Y CB -0.380 38.159 38.460 0.132 0.000 0.987 478 Y HN 0.334 nan 8.280 nan 0.000 0.502 479 E N 0.089 120.379 120.200 0.151 0.000 2.171 479 E HA -0.212 4.138 4.350 0.001 0.000 0.197 479 E C 1.644 178.223 176.600 -0.034 0.000 0.997 479 E CA 1.474 57.897 56.400 0.039 0.000 0.810 479 E CB -0.245 29.508 29.700 0.089 0.000 0.738 479 E HN 0.516 nan 8.360 nan 0.000 0.467 480 L N 0.376 121.586 121.223 -0.022 0.000 2.628 480 L HA 0.136 4.477 4.340 0.001 0.000 0.229 480 L C 0.365 177.203 176.870 -0.052 0.000 1.137 480 L CA -0.319 54.499 54.840 -0.037 0.000 0.909 480 L CB 0.508 42.547 42.059 -0.032 0.000 1.137 480 L HN -0.116 nan 8.230 nan 0.000 0.470 481 S N -0.053 115.606 115.700 -0.068 0.000 2.617 481 S HA 0.247 4.717 4.470 0.001 0.000 0.283 481 S C -0.379 174.210 174.600 -0.019 0.000 1.189 481 S CA -0.874 57.309 58.200 -0.027 0.000 1.036 481 S CB 1.500 64.725 63.200 0.042 0.000 1.014 481 S HN 0.276 nan 8.310 nan 0.000 0.522 482 D N 0.790 121.230 120.400 0.066 0.000 2.377 482 D HA 0.374 5.014 4.640 0.001 0.000 0.245 482 D C 1.192 177.502 176.300 0.017 0.000 1.196 482 D CA -0.289 53.737 54.000 0.044 0.000 0.962 482 D CB 0.346 41.192 40.800 0.076 0.000 1.127 482 D HN 0.377 nan 8.370 nan 0.000 0.471 483 A N 1.111 123.910 122.820 -0.034 0.000 1.927 483 A HA -0.122 4.199 4.320 0.001 0.000 0.220 483 A C 2.205 179.738 177.584 -0.086 0.000 1.185 483 A CA 3.047 55.049 52.037 -0.059 0.000 0.639 483 A CB -1.392 17.572 19.000 -0.061 0.000 0.820 483 A HN 0.774 nan 8.150 nan 0.000 0.451 484 A N -1.443 121.246 122.820 -0.218 0.000 1.873 484 A HA 0.012 4.332 4.320 0.001 0.000 0.215 484 A C 1.992 179.386 177.584 -0.318 0.000 1.186 484 A CA 1.485 53.196 52.037 -0.543 0.000 0.616 484 A CB -0.754 17.497 19.000 -1.248 0.000 0.823 484 A HN 0.497 nan 8.150 nan 0.000 0.442 485 F N -0.181 119.739 119.950 -0.050 0.000 2.365 485 F HA -0.057 4.470 4.527 0.001 0.000 0.300 485 F C 2.582 178.505 175.800 0.204 0.000 1.090 485 F CA 1.108 59.231 58.000 0.204 0.000 1.408 485 F CB -0.050 39.035 39.000 0.142 0.000 1.060 485 F HN 0.117 nan 8.300 nan 0.000 0.534 486 R N -0.076 120.544 120.500 0.199 0.000 2.092 486 R HA -0.153 4.187 4.340 0.001 0.000 0.231 486 R C 2.128 178.601 176.300 0.290 0.000 1.119 486 R CA 1.246 57.407 56.100 0.101 0.000 0.970 486 R CB -0.625 29.541 30.300 -0.223 0.000 0.864 486 R HN 0.310 nan 8.270 nan 0.000 0.440 487 N N 0.633 119.468 118.700 0.225 0.000 2.142 487 N HA -0.176 4.564 4.740 0.001 0.000 0.186 487 N C 1.652 177.342 175.510 0.300 0.000 1.023 487 N CA 1.090 54.284 53.050 0.239 0.000 0.852 487 N CB -0.026 38.577 38.487 0.194 0.000 0.998 487 N HN 0.090 nan 8.380 nan 0.000 0.424 488 F N 1.677 121.776 119.950 0.248 0.000 2.113 488 F HA 0.029 4.557 4.527 0.001 0.000 0.297 488 F C 2.297 178.198 175.800 0.169 0.000 1.103 488 F CA 0.919 59.062 58.000 0.238 0.000 1.248 488 F CB -0.239 38.922 39.000 0.268 0.000 0.999 488 F HN -0.037 nan 8.300 nan 0.000 0.475 489 I N 0.314 121.120 120.570 0.394 0.000 2.208 489 I HA -0.332 3.838 4.170 0.001 0.000 0.245 489 I C 2.218 178.327 176.117 -0.013 0.000 1.097 489 I CA 1.767 63.194 61.300 0.213 0.000 1.363 489 I CB -0.561 37.707 38.000 0.448 0.000 1.051 489 I HN 0.206 nan 8.210 nan 0.000 0.413 490 E N 0.245 120.500 120.200 0.093 0.000 2.058 490 E HA -0.323 4.027 4.350 0.001 0.000 0.194 490 E C 2.226 178.774 176.600 -0.086 0.000 0.997 490 E CA 1.419 57.818 56.400 -0.002 0.000 0.801 490 E CB -0.176 29.580 29.700 0.093 0.000 0.746 490 E HN 0.492 nan 8.360 nan 0.000 0.450 491 Q N 0.116 119.858 119.800 -0.096 0.000 2.084 491 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 491 Q C 2.194 178.043 176.000 -0.251 0.000 0.978 491 Q CA 1.004 56.718 55.803 -0.147 0.000 0.844 491 Q CB 0.009 28.647 28.738 -0.167 0.000 0.898 491 Q HN 0.180 nan 8.270 nan 0.000 0.426 492 L N -0.202 120.778 121.223 -0.405 0.000 2.131 492 L HA -0.065 4.275 4.340 0.001 0.000 0.206 492 L C 2.090 178.748 176.870 -0.353 0.000 1.087 492 L CA 1.909 56.496 54.840 -0.422 0.000 0.767 492 L CB -0.299 41.446 42.059 -0.523 0.000 0.917 492 L HN 0.257 nan 8.230 nan 0.000 0.441 493 T N -3.558 110.768 114.554 -0.381 0.000 3.129 493 T HA 0.249 4.600 4.350 0.001 0.000 0.251 493 T C 1.348 175.926 174.700 -0.203 0.000 1.117 493 T CA 0.189 62.079 62.100 -0.350 0.000 1.034 493 T CB -0.616 67.992 68.868 -0.434 0.000 0.968 493 T HN 0.538 nan 8.240 nan 0.000 0.526 494 G N 1.357 110.063 108.800 -0.158 0.000 2.341 494 G HA2 0.069 4.029 3.960 0.001 0.000 0.292 494 G HA3 0.069 4.029 3.960 0.001 0.000 0.292 494 G C 1.000 175.848 174.900 -0.087 0.000 1.021 494 G CA 0.168 45.211 45.100 -0.096 0.000 0.905 494 G HN 1.753 nan 8.290 nan 0.000 0.508 495 G N -1.819 106.918 108.800 -0.104 0.000 2.249 495 G HA2 0.046 4.006 3.960 0.001 0.000 0.273 495 G HA3 0.046 4.006 3.960 0.001 0.000 0.273 495 G C 0.345 175.184 174.900 -0.101 0.000 1.036 495 G CA 1.158 46.203 45.100 -0.092 0.000 0.824 495 G HN 2.111 nan 8.290 nan 0.000 0.504 496 S N -1.301 114.326 115.700 -0.122 0.000 2.530 496 S HA 0.598 5.069 4.470 0.001 0.000 0.322 496 S C 1.258 175.789 174.600 -0.114 0.000 1.085 496 S CA -0.053 58.087 58.200 -0.100 0.000 1.096 496 S CB 1.268 64.420 63.200 -0.081 0.000 0.988 496 S HN 0.490 nan 8.310 nan 0.000 0.466 497 R N 2.690 123.133 120.500 -0.096 0.000 2.115 497 R HA -0.032 4.309 4.340 0.001 0.000 0.230 497 R C 1.994 178.268 176.300 -0.044 0.000 1.111 497 R CA 1.706 57.756 56.100 -0.084 0.000 0.976 497 R CB -0.244 30.013 30.300 -0.071 0.000 0.870 497 R HN 0.626 nan 8.270 nan 0.000 0.445 498 E N 0.285 120.465 120.200 -0.033 0.000 2.085 498 E HA -0.162 4.189 4.350 0.001 0.000 0.194 498 E C 1.918 178.519 176.600 0.002 0.000 0.994 498 E CA 1.388 57.783 56.400 -0.009 0.000 0.801 498 E CB -0.218 29.478 29.700 -0.007 0.000 0.743 498 E HN 0.347 nan 8.360 nan 0.000 0.453 499 I N -0.062 120.492 120.570 -0.027 0.000 2.202 499 I HA -0.202 3.969 4.170 0.001 0.000 0.242 499 I C 2.529 178.635 176.117 -0.019 0.000 1.091 499 I CA 1.548 62.829 61.300 -0.032 0.000 1.368 499 I CB -1.039 36.905 38.000 -0.093 0.000 1.058 499 I HN 0.329 nan 8.210 nan 0.000 0.410 500 M N -0.308 119.256 119.600 -0.060 0.000 2.073 500 M HA -0.288 4.193 4.480 0.001 0.000 0.258 500 M C 2.674 179.081 176.300 0.177 0.000 1.070 500 M CA 2.244 57.559 55.300 0.025 0.000 1.103 500 M CB -0.464 32.128 32.600 -0.012 0.000 1.321 500 M HN 0.095 nan 8.290 nan 0.000 0.405 501 R N -0.120 120.433 120.500 0.090 0.000 2.055 501 R HA -0.062 4.278 4.340 0.001 0.000 0.226 501 R C 2.397 178.749 176.300 0.087 0.000 1.135 501 R CA 1.861 58.004 56.100 0.073 0.000 0.959 501 R CB -1.113 29.203 30.300 0.027 0.000 0.854 501 R HN 0.715 nan 8.270 nan 0.000 0.431 502 S N 0.587 116.350 115.700 0.106 0.000 2.382 502 S HA -0.048 4.423 4.470 0.001 0.000 0.228 502 S C 1.669 176.431 174.600 0.270 0.000 1.027 502 S CA 0.885 59.188 58.200 0.171 0.000 0.991 502 S CB -0.257 63.020 63.200 0.129 0.000 0.823 502 S HN 0.428 nan 8.310 nan 0.000 0.469 503 R N 1.772 122.426 120.500 0.256 0.000 2.449 503 R HA 0.388 4.728 4.340 0.001 0.000 0.262 503 R C -0.349 176.239 176.300 0.480 0.000 1.006 503 R CA -0.009 56.302 56.100 0.351 0.000 1.104 503 R CB -0.670 29.835 30.300 0.343 0.000 1.206 503 R HN 0.321 nan 8.270 nan 0.000 0.538 504 S N 2.178 118.066 115.700 0.314 0.000 2.422 504 S HA 0.245 4.716 4.470 0.001 0.000 0.308 504 S C -1.692 172.946 174.600 0.062 0.000 1.097 504 S CA -1.252 57.046 58.200 0.164 0.000 1.099 504 S CB 1.940 65.176 63.200 0.061 0.000 0.976 504 S HN -0.038 nan 8.310 nan 0.000 0.471 505 P HA -0.120 nan 4.420 nan 0.000 0.217 505 P C 1.309 178.580 177.300 -0.049 0.000 1.148 505 P CA 0.691 63.806 63.100 0.025 0.000 0.828 505 P CB 0.105 31.781 31.700 -0.039 0.000 0.783 506 I N -0.790 119.721 120.570 -0.098 0.000 2.454 506 I HA -0.200 3.971 4.170 0.001 0.000 0.254 506 I C 0.889 176.913 176.117 -0.156 0.000 1.156 506 I CA 1.396 62.621 61.300 -0.124 0.000 1.433 506 I CB -0.075 37.849 38.000 -0.126 0.000 1.082 506 I HN -0.092 nan 8.210 nan 0.000 0.432 507 N N 0.023 118.568 118.700 -0.259 0.000 2.383 507 N HA -0.008 4.733 4.740 0.001 0.000 0.192 507 N C 0.295 175.490 175.510 -0.525 0.000 1.141 507 N CA 0.563 53.383 53.050 -0.383 0.000 0.851 507 N CB -0.040 38.173 38.487 -0.457 0.000 0.976 507 N HN 0.481 nan 8.380 nan 0.000 0.465 508 H N -1.163 117.892 119.070 -0.025 0.000 2.750 508 H HA 0.250 4.806 4.556 0.001 0.000 0.252 508 H C 1.464 176.773 175.328 -0.032 0.000 1.176 508 H CA -0.206 55.827 56.048 -0.025 0.000 0.987 508 H CB 0.291 30.039 29.762 -0.024 0.000 1.810 508 H HN -0.100 nan 8.280 nan 0.000 0.630 509 V N 0.822 120.751 119.914 0.025 0.000 2.469 509 V HA -0.248 3.873 4.120 0.001 0.000 0.251 509 V C 2.439 178.540 176.094 0.012 0.000 1.064 509 V CA 2.505 64.803 62.300 -0.004 0.000 1.066 509 V CB -0.858 30.935 31.823 -0.049 0.000 0.667 509 V HN 0.657 nan 8.190 nan 0.000 0.461 510 D N -0.283 120.130 120.400 0.023 0.000 2.354 510 D HA -0.209 4.432 4.640 0.001 0.000 0.216 510 D C 2.142 178.458 176.300 0.028 0.000 0.970 510 D CA 1.283 55.297 54.000 0.024 0.000 0.905 510 D CB -0.444 40.372 40.800 0.026 0.000 0.903 510 D HN 0.553 nan 8.370 nan 0.000 0.508 511 R N -1.208 119.312 120.500 0.033 0.000 2.334 511 R HA 0.329 4.670 4.340 0.001 0.000 0.216 511 R C 0.257 176.570 176.300 0.021 0.000 0.905 511 R CA -0.333 55.780 56.100 0.023 0.000 1.064 511 R CB 0.374 30.683 30.300 0.016 0.000 1.046 511 R HN 0.398 nan 8.270 nan 0.000 0.508 512 I N 1.468 122.052 120.570 0.024 0.000 2.496 512 I HA -0.018 4.152 4.170 0.001 0.000 0.285 512 I C 1.020 177.161 176.117 0.040 0.000 1.080 512 I CA 0.452 61.770 61.300 0.030 0.000 1.404 512 I CB 0.910 38.926 38.000 0.027 0.000 1.403 512 I HN -0.079 nan 8.210 nan 0.000 0.539 513 K N 4.335 124.763 120.400 0.046 0.000 2.438 513 K HA 0.290 4.611 4.320 0.001 0.000 0.206 513 K C -0.296 176.344 176.600 0.066 0.000 1.081 513 K CA 0.038 56.354 56.287 0.049 0.000 1.053 513 K CB 0.727 33.248 32.500 0.035 0.000 0.908 513 K HN 0.501 nan 8.250 nan 0.000 0.556 514 E N 0.998 121.249 120.200 0.084 0.000 2.227 514 E HA 0.334 4.685 4.350 0.001 0.000 0.268 514 E C -2.697 173.994 176.600 0.151 0.000 0.907 514 E CA -2.278 54.191 56.400 0.115 0.000 0.786 514 E CB 1.336 31.114 29.700 0.130 0.000 1.191 514 E HN -0.195 nan 8.360 nan 0.000 0.411 515 P HA 0.028 nan 4.420 nan 0.000 0.266 515 P C -1.201 176.303 177.300 0.340 0.000 1.193 515 P CA -0.140 63.132 63.100 0.287 0.000 0.770 515 P CB 0.354 32.251 31.700 0.328 0.000 0.836 516 L N 2.299 123.690 121.223 0.280 0.000 2.470 516 L HA 0.702 5.042 4.340 0.001 0.000 0.268 516 L C -1.228 175.535 176.870 -0.180 0.000 0.964 516 L CA -0.945 53.946 54.840 0.085 0.000 0.839 516 L CB 1.549 43.648 42.059 0.066 0.000 1.276 516 L HN 0.399 nan 8.230 nan 0.000 0.403 517 A N 6.143 128.622 122.820 -0.569 0.000 2.260 517 A HA 0.755 5.075 4.320 0.001 0.000 0.314 517 A C -1.064 176.372 177.584 -0.247 0.000 1.257 517 A CA -0.442 51.203 52.037 -0.654 0.000 0.871 517 A CB 0.350 18.607 19.000 -1.238 0.000 1.166 517 A HN 0.721 nan 8.150 nan 0.000 0.522 518 L N 3.506 124.662 121.223 -0.113 0.000 2.282 518 L HA 0.553 4.893 4.340 0.001 0.000 0.288 518 L C -0.610 176.287 176.870 0.045 0.000 1.033 518 L CA -0.166 54.651 54.840 -0.039 0.000 0.807 518 L CB 1.319 43.353 42.059 -0.043 0.000 1.209 518 L HN 0.571 nan 8.230 nan 0.000 0.423 519 I N 2.329 122.944 120.570 0.074 0.000 2.436 519 I HA 0.399 4.569 4.170 0.001 0.000 0.289 519 I C -0.989 175.204 176.117 0.127 0.000 1.010 519 I CA -0.552 60.826 61.300 0.130 0.000 1.098 519 I CB 1.915 39.982 38.000 0.113 0.000 1.266 519 I HN 0.574 nan 8.210 nan 0.000 0.434 520 H N 6.104 125.199 119.070 0.041 0.000 2.947 520 H HA 0.405 4.961 4.556 0.001 0.000 0.354 520 H C -2.792 172.554 175.328 0.030 0.000 1.085 520 H CA -1.374 54.678 56.048 0.007 0.000 1.253 520 H CB 3.002 32.747 29.762 -0.028 0.000 1.757 520 H HN 0.232 nan 8.280 nan 0.000 0.523 521 P HA 0.048 nan 4.420 nan 0.000 0.281 521 P C 0.199 177.581 177.300 0.137 0.000 1.252 521 P CA -0.336 62.798 63.100 0.057 0.000 0.778 521 P CB 1.123 32.832 31.700 0.015 0.000 0.895 522 Q N 3.067 122.932 119.800 0.108 0.000 2.135 522 Q HA -0.189 4.152 4.340 0.001 0.000 0.204 522 Q C 0.401 176.448 176.000 0.079 0.000 0.981 522 Q CA 1.651 57.511 55.803 0.095 0.000 0.856 522 Q CB -0.562 28.209 28.738 0.055 0.000 0.902 522 Q HN 0.266 nan 8.270 nan 0.000 0.425 523 N N 1.392 120.129 118.700 0.063 0.000 2.295 523 N HA 0.050 4.790 4.740 0.001 0.000 0.221 523 N C -0.915 174.622 175.510 0.045 0.000 1.129 523 N CA 0.047 53.122 53.050 0.042 0.000 0.836 523 N CB 0.187 38.690 38.487 0.027 0.000 1.040 523 N HN 0.305 nan 8.380 nan 0.000 0.494 524 D N 0.843 121.287 120.400 0.073 0.000 2.472 524 D HA -0.017 4.624 4.640 0.001 0.000 0.248 524 D C 0.976 177.283 176.300 0.011 0.000 1.174 524 D CA 0.340 54.381 54.000 0.068 0.000 0.883 524 D CB 0.816 41.665 40.800 0.081 0.000 1.149 524 D HN 0.213 nan 8.370 nan 0.000 0.488 525 S N 3.670 119.344 115.700 -0.044 0.000 2.511 525 S HA 0.087 4.557 4.470 0.001 0.000 0.214 525 S C 1.535 175.963 174.600 -0.287 0.000 0.997 525 S CA -0.270 57.863 58.200 -0.112 0.000 0.908 525 S CB 0.444 63.599 63.200 -0.074 0.000 0.803 525 S HN 0.438 nan 8.310 nan 0.000 0.504 526 R N 2.044 122.291 120.500 -0.422 0.000 2.048 526 R HA 0.074 4.414 4.340 0.001 0.000 0.224 526 R C 0.411 176.424 176.300 -0.479 0.000 1.163 526 R CA 1.451 57.055 56.100 -0.826 0.000 0.956 526 R CB -0.882 28.813 30.300 -1.008 0.000 0.849 526 R HN 0.505 nan 8.270 nan 0.000 0.435 527 T N 1.553 115.955 114.554 -0.252 0.000 3.029 527 T HA 0.349 4.699 4.350 0.001 0.000 0.346 527 T C -2.500 172.265 174.700 0.110 0.000 1.211 527 T CA -2.112 59.943 62.100 -0.076 0.000 1.009 527 T CB 1.420 70.275 68.868 -0.020 0.000 1.084 527 T HN -0.021 nan 8.240 nan 0.000 0.536 528 P HA 0.203 nan 4.420 nan 0.000 0.274 528 P C 0.676 177.930 177.300 -0.077 0.000 1.246 528 P CA -0.783 62.330 63.100 0.021 0.000 0.795 528 P CB 1.276 32.947 31.700 -0.048 0.000 1.006 529 L N 1.340 122.488 121.223 -0.126 0.000 2.270 529 L HA 0.045 4.385 4.340 0.001 0.000 0.210 529 L C 2.475 179.199 176.870 -0.243 0.000 1.104 529 L CA 1.562 56.204 54.840 -0.330 0.000 0.804 529 L CB -0.914 41.056 42.059 -0.149 0.000 0.937 529 L HN 0.288 nan 8.230 nan 0.000 0.450 530 K N 0.047 120.361 120.400 -0.143 0.000 2.015 530 K HA -0.200 4.120 4.320 0.001 0.000 0.216 530 K C -0.461 176.057 176.600 -0.136 0.000 1.052 530 K CA 2.329 58.548 56.287 -0.113 0.000 0.937 530 K CB -1.153 31.302 32.500 -0.074 0.000 0.719 530 K HN 0.290 nan 8.250 nan 0.000 0.446 531 P HA -0.165 nan 4.420 nan 0.000 0.216 531 P C 1.280 178.462 177.300 -0.195 0.000 1.150 531 P CA 0.953 63.960 63.100 -0.154 0.000 0.837 531 P CB 0.031 31.637 31.700 -0.157 0.000 0.786 532 L N -1.208 119.854 121.223 -0.268 0.000 2.131 532 L HA -0.142 4.198 4.340 0.001 0.000 0.210 532 L C 2.229 178.960 176.870 -0.233 0.000 1.092 532 L CA 1.587 56.248 54.840 -0.298 0.000 0.759 532 L CB -0.969 40.806 42.059 -0.473 0.000 0.903 532 L HN -0.099 nan 8.230 nan 0.000 0.435 533 L N -1.202 119.908 121.223 -0.189 0.000 2.056 533 L HA -0.206 4.135 4.340 0.001 0.000 0.207 533 L C 2.695 179.490 176.870 -0.126 0.000 1.078 533 L CA 1.334 56.094 54.840 -0.134 0.000 0.749 533 L CB -0.529 41.471 42.059 -0.098 0.000 0.901 533 L HN 0.259 nan 8.230 nan 0.000 0.433 534 R N 0.209 120.634 120.500 -0.125 0.000 2.148 534 R HA -0.190 4.151 4.340 0.001 0.000 0.227 534 R C 2.262 178.479 176.300 -0.139 0.000 1.103 534 R CA 1.002 57.036 56.100 -0.111 0.000 0.983 534 R CB -0.108 30.134 30.300 -0.096 0.000 0.874 534 R HN 0.185 nan 8.270 nan 0.000 0.451 535 L N 0.465 121.580 121.223 -0.181 0.000 2.056 535 L HA -0.103 4.238 4.340 0.001 0.000 0.207 535 L C 1.928 178.614 176.870 -0.306 0.000 1.078 535 L CA 1.748 56.454 54.840 -0.223 0.000 0.749 535 L CB -0.233 41.682 42.059 -0.241 0.000 0.901 535 L HN 0.206 nan 8.230 nan 0.000 0.433 536 M N -0.858 118.537 119.600 -0.341 0.000 2.132 536 M HA -0.085 4.395 4.480 0.001 0.000 0.263 536 M C 2.204 178.379 176.300 -0.208 0.000 1.065 536 M CA 1.621 56.643 55.300 -0.462 0.000 1.122 536 M CB -1.135 31.313 32.600 -0.252 0.000 1.365 536 M HN 0.455 nan 8.290 nan 0.000 0.411 537 G N 0.139 108.870 108.800 -0.115 0.000 2.469 537 G HA2 -0.215 3.746 3.960 0.001 0.000 0.220 537 G HA3 -0.215 3.746 3.960 0.001 0.000 0.220 537 G C 1.515 176.381 174.900 -0.058 0.000 1.136 537 G CA 0.865 45.932 45.100 -0.055 0.000 0.759 537 G HN 0.341 nan 8.290 nan 0.000 0.562 538 E N 0.319 120.459 120.200 -0.101 0.000 2.016 538 E HA 0.009 4.359 4.350 0.001 0.000 0.190 538 E C 2.811 179.366 176.600 -0.075 0.000 0.985 538 E CA 0.304 56.654 56.400 -0.084 0.000 0.802 538 E CB -0.544 29.095 29.700 -0.101 0.000 0.762 538 E HN 0.415 nan 8.360 nan 0.000 0.448 539 L N 0.654 121.789 121.223 -0.148 0.000 2.010 539 L HA -0.267 4.073 4.340 0.001 0.000 0.219 539 L C 2.678 179.589 176.870 0.067 0.000 1.077 539 L CA 1.201 55.977 54.840 -0.107 0.000 0.773 539 L CB -0.606 41.200 42.059 -0.422 0.000 0.892 539 L HN 0.166 nan 8.230 nan 0.000 0.436 540 L N -0.156 121.136 121.223 0.116 0.000 2.027 540 L HA -0.128 4.213 4.340 0.001 0.000 0.206 540 L C 2.650 179.567 176.870 0.077 0.000 1.074 540 L CA 2.018 56.959 54.840 0.168 0.000 0.745 540 L CB -0.778 41.383 42.059 0.170 0.000 0.898 540 L HN 0.156 nan 8.230 nan 0.000 0.433 541 A N -0.146 122.697 122.820 0.038 0.000 1.917 541 A HA -0.227 4.094 4.320 0.001 0.000 0.219 541 A C 2.151 179.748 177.584 0.022 0.000 1.182 541 A CA 2.010 54.059 52.037 0.020 0.000 0.633 541 A CB -0.574 18.427 19.000 0.001 0.000 0.819 541 A HN 0.583 nan 8.150 nan 0.000 0.448 542 R N -1.362 119.152 120.500 0.024 0.000 2.515 542 R HA 0.311 4.652 4.340 0.001 0.000 0.294 542 R C 0.944 177.267 176.300 0.038 0.000 1.021 542 R CA 0.376 56.490 56.100 0.023 0.000 1.081 542 R CB -0.145 30.162 30.300 0.012 0.000 1.263 542 R HN 0.641 nan 8.270 nan 0.000 0.557 543 G N 1.887 110.718 108.800 0.051 0.000 2.225 543 G HA2 -0.283 3.678 3.960 0.001 0.000 0.267 543 G HA3 -0.283 3.678 3.960 0.001 0.000 0.267 543 G C -0.108 174.839 174.900 0.077 0.000 1.024 543 G CA 0.244 45.378 45.100 0.057 0.000 0.784 543 G HN 0.119 nan 8.290 nan 0.000 0.507 544 K N 0.326 120.791 120.400 0.109 0.000 2.118 544 K HA 0.533 4.853 4.320 0.001 0.000 0.267 544 K C 0.251 176.981 176.600 0.215 0.000 0.991 544 K CA -0.303 56.066 56.287 0.136 0.000 0.916 544 K CB 1.163 33.730 32.500 0.112 0.000 1.041 544 K HN 0.069 nan 8.250 nan 0.000 0.455 545 T N 3.843 118.503 114.554 0.177 0.000 2.733 545 T HA 0.500 4.850 4.350 0.001 0.000 0.294 545 T C -0.406 174.438 174.700 0.240 0.000 0.956 545 T CA -0.396 61.791 62.100 0.146 0.000 0.987 545 T CB -0.369 68.557 68.868 0.097 0.000 0.920 545 T HN 0.431 nan 8.240 nan 0.000 0.470 546 F N 0.967 120.930 119.950 0.022 0.000 2.626 546 F HA 0.768 5.295 4.527 0.001 0.000 0.311 546 F C -0.609 175.168 175.800 -0.039 0.000 1.088 546 F CA -1.414 56.580 58.000 -0.010 0.000 0.949 546 F CB 1.442 40.410 39.000 -0.052 0.000 1.322 546 F HN 0.479 nan 8.300 nan 0.000 0.461 547 E N 1.962 122.142 120.200 -0.033 0.000 2.207 547 E HA 0.833 5.183 4.350 0.001 0.000 0.270 547 E C -1.557 175.000 176.600 -0.071 0.000 0.927 547 E CA -1.397 54.891 56.400 -0.186 0.000 0.799 547 E CB 2.199 31.804 29.700 -0.157 0.000 1.172 547 E HN 1.008 nan 8.360 nan 0.000 0.404 548 A N 2.749 125.458 122.820 -0.185 0.000 2.401 548 A HA 0.541 4.861 4.320 0.001 0.000 0.310 548 A C -1.294 176.036 177.584 -0.423 0.000 1.075 548 A CA -0.797 51.160 52.037 -0.134 0.000 0.746 548 A CB 1.188 20.250 19.000 0.103 0.000 1.277 548 A HN 0.721 nan 8.150 nan 0.000 0.425 549 H N 2.105 121.202 119.070 0.045 0.000 3.013 549 H HA 0.356 4.913 4.556 0.001 0.000 0.326 549 H C -1.207 174.153 175.328 0.053 0.000 0.973 549 H CA -0.218 55.854 56.048 0.039 0.000 1.369 549 H CB 1.181 30.959 29.762 0.025 0.000 1.598 549 H HN 0.526 nan 8.280 nan 0.000 0.518 550 I N 4.502 125.161 120.570 0.148 0.000 2.336 550 I HA 0.177 4.347 4.170 0.001 0.000 0.292 550 I C 0.022 176.198 176.117 0.100 0.000 0.991 550 I CA -0.753 60.618 61.300 0.118 0.000 1.227 550 I CB 1.125 39.171 38.000 0.077 0.000 1.366 550 I HN 0.277 nan 8.210 nan 0.000 0.466 551 I N 9.226 129.850 120.570 0.091 0.000 2.331 551 I HA 0.317 4.487 4.170 0.001 0.000 0.292 551 I C -2.042 174.105 176.117 0.051 0.000 0.998 551 I CA -1.951 59.385 61.300 0.061 0.000 1.267 551 I CB 0.972 39.000 38.000 0.048 0.000 1.386 551 I HN 0.340 nan 8.210 nan 0.000 0.476 552 P HA 0.156 nan 4.420 nan 0.000 0.281 552 P C -0.699 176.617 177.300 0.027 0.000 1.249 552 P CA -0.131 62.987 63.100 0.031 0.000 0.810 552 P CB 0.708 32.423 31.700 0.024 0.000 1.008 553 D N -1.278 119.137 120.400 0.025 0.000 2.686 553 D HA -0.150 4.491 4.640 0.001 0.000 0.235 553 D C -0.149 176.167 176.300 0.026 0.000 1.160 553 D CA 1.583 55.596 54.000 0.021 0.000 0.645 553 D CB -1.389 39.419 40.800 0.014 0.000 1.039 553 D HN 0.652 nan 8.370 nan 0.000 0.423 554 A N -1.022 121.818 122.820 0.034 0.000 2.587 554 A HA 0.852 5.172 4.320 0.001 0.000 0.293 554 A C 0.436 178.050 177.584 0.051 0.000 1.087 554 A CA 0.020 52.082 52.037 0.041 0.000 0.692 554 A CB 2.089 21.112 19.000 0.039 0.000 1.291 554 A HN 0.274 nan 8.150 nan 0.000 0.407 555 G N -1.183 107.655 108.800 0.064 0.000 3.262 555 G HA2 0.436 4.397 3.960 0.001 0.000 0.229 555 G HA3 0.436 4.397 3.960 0.001 0.000 0.229 555 G C 0.373 175.342 174.900 0.115 0.000 1.280 555 G CA 0.215 45.364 45.100 0.081 0.000 0.951 555 G HN 0.916 nan 8.290 nan 0.000 0.589 556 H N -0.450 118.645 119.070 0.041 0.000 2.421 556 H HA 0.289 4.846 4.556 0.001 0.000 0.298 556 H C 1.527 176.964 175.328 0.181 0.000 1.087 556 H CA 1.461 57.560 56.048 0.085 0.000 1.330 556 H CB 0.070 29.848 29.762 0.026 0.000 1.388 556 H HN 0.465 nan 8.280 nan 0.000 0.526 557 A N 1.293 124.264 122.820 0.251 0.000 2.280 557 A HA 0.348 4.668 4.320 0.001 0.000 0.320 557 A C -0.571 177.086 177.584 0.122 0.000 1.366 557 A CA -0.597 51.559 52.037 0.198 0.000 0.938 557 A CB -0.087 19.047 19.000 0.222 0.000 1.157 557 A HN 0.240 nan 8.150 nan 0.000 0.536 558 I N 3.401 124.010 120.570 0.065 0.000 2.416 558 I HA 0.118 4.288 4.170 0.001 0.000 0.288 558 I C 0.550 176.708 176.117 0.069 0.000 1.051 558 I CA 0.006 61.327 61.300 0.036 0.000 1.375 558 I CB 0.832 38.806 38.000 -0.044 0.000 1.407 558 I HN 0.859 nan 8.210 nan 0.000 0.516 559 N N 2.978 121.736 118.700 0.097 0.000 2.143 559 N HA -0.004 4.737 4.740 0.001 0.000 0.222 559 N C -0.008 175.599 175.510 0.160 0.000 1.264 559 N CA -0.293 52.840 53.050 0.138 0.000 0.897 559 N CB 0.537 39.077 38.487 0.088 0.000 1.092 559 N HN 0.576 nan 8.380 nan 0.000 0.516 560 T N -3.372 111.275 114.554 0.154 0.000 2.908 560 T HA 0.357 4.707 4.350 0.001 0.000 0.290 560 T C 1.095 175.938 174.700 0.238 0.000 1.034 560 T CA -0.849 61.329 62.100 0.130 0.000 1.010 560 T CB 2.069 70.958 68.868 0.036 0.000 1.068 560 T HN 0.015 nan 8.240 nan 0.000 0.481 561 M N 1.053 120.830 119.600 0.294 0.000 2.080 561 M HA -0.120 4.361 4.480 0.001 0.000 0.260 561 M C 2.021 178.368 176.300 0.079 0.000 1.068 561 M CA 1.984 57.448 55.300 0.272 0.000 1.109 561 M CB -0.455 32.292 32.600 0.244 0.000 1.342 561 M HN 0.878 nan 8.290 nan 0.000 0.405 562 E N 0.387 120.615 120.200 0.047 0.000 2.070 562 E HA -0.244 4.106 4.350 0.001 0.000 0.197 562 E C 1.687 178.283 176.600 -0.006 0.000 1.004 562 E CA 1.797 58.202 56.400 0.008 0.000 0.805 562 E CB -0.224 29.479 29.700 0.004 0.000 0.744 562 E HN 0.592 nan 8.360 nan 0.000 0.451 563 D N 0.087 120.491 120.400 0.007 0.000 2.144 563 D HA -0.128 4.512 4.640 0.001 0.000 0.199 563 D C 1.860 178.137 176.300 -0.039 0.000 0.984 563 D CA 1.270 55.267 54.000 -0.005 0.000 0.834 563 D CB -0.308 40.500 40.800 0.013 0.000 0.955 563 D HN 0.193 nan 8.370 nan 0.000 0.465 564 A N 0.474 123.264 122.820 -0.050 0.000 1.933 564 A HA -0.138 4.183 4.320 0.001 0.000 0.218 564 A C 2.502 179.999 177.584 -0.145 0.000 1.175 564 A CA 1.179 53.135 52.037 -0.135 0.000 0.628 564 A CB -0.632 18.264 19.000 -0.173 0.000 0.814 564 A HN 0.158 nan 8.150 nan 0.000 0.444 565 V N -0.156 119.697 119.914 -0.102 0.000 2.379 565 V HA -0.214 3.907 4.120 0.001 0.000 0.245 565 V C 2.379 178.394 176.094 -0.131 0.000 1.044 565 V CA 2.230 64.459 62.300 -0.118 0.000 1.036 565 V CB -0.578 31.191 31.823 -0.089 0.000 0.664 565 V HN 0.532 nan 8.190 nan 0.000 0.453 566 K N -0.473 119.870 120.400 -0.096 0.000 2.209 566 K HA -0.090 4.231 4.320 0.001 0.000 0.204 566 K C 1.949 178.497 176.600 -0.086 0.000 1.048 566 K CA 1.026 57.257 56.287 -0.092 0.000 0.940 566 K CB -0.100 32.372 32.500 -0.046 0.000 0.729 566 K HN 0.288 nan 8.250 nan 0.000 0.451 567 I N 0.373 120.901 120.570 -0.069 0.000 2.277 567 I HA -0.159 4.011 4.170 0.001 0.000 0.243 567 I C 2.079 178.182 176.117 -0.024 0.000 1.094 567 I CA 0.936 62.219 61.300 -0.028 0.000 1.393 567 I CB -0.584 37.389 38.000 -0.045 0.000 1.078 567 I HN 0.132 nan 8.210 nan 0.000 0.417 568 L N 0.061 121.233 121.223 -0.085 0.000 2.102 568 L HA -0.015 4.325 4.340 0.001 0.000 0.202 568 L C 2.194 179.005 176.870 -0.099 0.000 1.076 568 L CA 1.376 56.182 54.840 -0.057 0.000 0.761 568 L CB -1.005 40.955 42.059 -0.165 0.000 0.921 568 L HN 0.048 nan 8.230 nan 0.000 0.444 569 L N 0.777 121.880 121.223 -0.200 0.000 2.013 569 L HA -0.112 4.228 4.340 0.001 0.000 0.212 569 L C -0.630 176.008 176.870 -0.386 0.000 1.073 569 L CA 2.227 56.849 54.840 -0.363 0.000 0.753 569 L CB -1.827 39.937 42.059 -0.491 0.000 0.890 569 L HN 0.208 nan 8.230 nan 0.000 0.432 570 P HA -0.082 nan 4.420 nan 0.000 0.223 570 P C 1.428 178.746 177.300 0.029 0.000 1.151 570 P CA 1.608 64.571 63.100 -0.229 0.000 0.787 570 P CB -0.182 31.142 31.700 -0.628 0.000 0.788 571 A N -0.154 122.674 122.820 0.014 0.000 1.855 571 A HA -0.137 4.184 4.320 0.001 0.000 0.215 571 A C 2.338 179.993 177.584 0.119 0.000 1.191 571 A CA 1.953 54.035 52.037 0.075 0.000 0.613 571 A CB -1.646 17.379 19.000 0.042 0.000 0.829 571 A HN 0.037 nan 8.150 nan 0.000 0.442 572 V N -0.914 119.049 119.914 0.082 0.000 2.343 572 V HA -0.211 3.910 4.120 0.001 0.000 0.247 572 V C 2.364 178.638 176.094 0.300 0.000 1.051 572 V CA 1.825 64.197 62.300 0.121 0.000 1.036 572 V CB -1.049 30.845 31.823 0.119 0.000 0.654 572 V HN 0.490 nan 8.190 nan 0.000 0.451 573 F N -0.181 119.844 119.950 0.124 0.000 2.126 573 F HA -0.172 4.355 4.527 0.000 0.000 0.299 573 F C 2.246 178.168 175.800 0.204 0.000 1.096 573 F CA 1.326 59.443 58.000 0.195 0.000 1.255 573 F CB -1.132 38.022 39.000 0.256 0.000 0.997 573 F HN 0.232 nan 8.300 nan 0.000 0.479 574 F N 0.215 120.323 119.950 0.263 0.000 2.146 574 F HA -0.147 4.380 4.527 0.001 0.000 0.298 574 F C 2.092 177.926 175.800 0.057 0.000 1.096 574 F CA 1.426 59.523 58.000 0.162 0.000 1.275 574 F CB -0.557 38.529 39.000 0.144 0.000 1.008 574 F HN -0.138 nan 8.300 nan 0.000 0.480 575 L N -0.137 121.084 121.223 -0.002 0.000 2.093 575 L HA -0.159 4.181 4.340 0.001 0.000 0.208 575 L C 2.775 179.564 176.870 -0.134 0.000 1.085 575 L CA 1.081 55.735 54.840 -0.310 0.000 0.755 575 L CB -1.089 40.624 42.059 -0.576 0.000 0.904 575 L HN 0.258 nan 8.230 nan 0.000 0.435 576 A N -0.675 122.182 122.820 0.062 0.000 1.898 576 A HA -0.183 4.137 4.320 0.001 0.000 0.216 576 A C 2.356 179.882 177.584 -0.098 0.000 1.181 576 A CA 2.210 54.272 52.037 0.042 0.000 0.620 576 A CB -0.828 18.152 19.000 -0.034 0.000 0.819 576 A HN 0.336 nan 8.150 nan 0.000 0.442 577 T N -0.120 114.372 114.554 -0.103 0.000 2.788 577 T HA -0.126 4.224 4.350 0.001 0.000 0.268 577 T C 2.034 176.658 174.700 -0.127 0.000 1.044 577 T CA 1.469 63.514 62.100 -0.093 0.000 1.139 577 T CB -0.209 68.650 68.868 -0.015 0.000 0.867 577 T HN 0.428 nan 8.240 nan 0.000 0.454 578 Q N 0.501 120.163 119.800 -0.231 0.000 2.291 578 Q HA 0.017 4.357 4.340 0.001 0.000 0.205 578 Q C 2.336 178.356 176.000 0.034 0.000 0.970 578 Q CA 0.824 56.537 55.803 -0.150 0.000 0.876 578 Q CB -0.213 28.374 28.738 -0.251 0.000 0.935 578 Q HN 0.470 nan 8.270 nan 0.000 0.455 579 R N 0.998 121.501 120.500 0.005 0.000 2.115 579 R HA -0.083 4.258 4.340 0.001 0.000 0.226 579 R C 1.603 177.911 176.300 0.015 0.000 1.100 579 R CA 0.803 56.947 56.100 0.074 0.000 0.980 579 R CB 0.201 30.494 30.300 -0.012 0.000 0.875 579 R HN 0.254 nan 8.270 nan 0.000 0.445 580 E N 0.109 120.291 120.200 -0.030 0.000 2.160 580 E HA -0.156 4.194 4.350 0.001 0.000 0.195 580 E C 0.318 176.916 176.600 -0.005 0.000 0.991 580 E CA 0.550 56.932 56.400 -0.031 0.000 0.810 580 E CB 0.074 29.750 29.700 -0.040 0.000 0.742 580 E HN 0.130 nan 8.360 nan 0.000 0.466 581 R N 0.000 120.506 120.500 0.011 0.000 2.786 581 R HA 0.000 4.340 4.340 0.001 0.000 0.208 581 R CA 0.000 56.115 56.100 0.025 0.000 0.921 581 R CB 0.000 30.312 30.300 0.021 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535