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 2ajl_1_I DATA FIRST_RESID 41 DATA SEQUENCE KTYTLTDYLK NTYRLKLYSL RWISDHEYLY KQENNILVFN AEYGNSSVFL DATA SEQUENCE ENSTFDEFGH SINDYSISPD GQFILLEYNY VKQWRHSYTA SYDIYDLNKR DATA SEQUENCE QLITEERIPN NTQWVTWSPV GHKLAYVWNN DIYVKIEPNL PSYRITWTGK DATA SEQUENCE EDIIYNGITD WVYEEEVFSA YSALWWSPNG TFLAYAQFND TEVPLIEYSF DATA SEQUENCE YSDESLQYPK TVRVPYPKAG AVNPTVKFFV VNTDSLSSVT NATSIQITAP DATA SEQUENCE ASMLIGDHYL CDVTWATQER ISLQWLRRIQ NYSVMDIcDY DESSGRWNcL DATA SEQUENCE VARQHIEMST TGWVGRFRPS EPHFTLDGNS FYKIISNEEG YRHIcYFQID DATA SEQUENCE KKDcTFITKG TWEVIGIEAL TSDYLYYISN EYKGMPGGRN LYKIQLSDYT DATA SEQUENCE KVTCLSCELN PERcQYYSVS FSKEAKYYQL RcSGPGLPLY TLHSSVNDKG DATA SEQUENCE LRVLEDNSAL DKMLQNVQMP SKKLDFIILN ETKFWYQMIL PPHFDKSKKY DATA SEQUENCE PLLLDVYAGP CSQKADTVFR LNWATYLAST ENIIVASFDG RGSGYQGDKI DATA SEQUENCE MHAINRRLGT FEVEDQIEAA RQFSKMGFVD NKRIAIWGWS YGGYVTSMVL DATA SEQUENCE GSGSGVFKcG IAVAPVSRWE YYDSVYTERY MGLPTPEDNL DHYRNSTVMS DATA SEQUENCE RAENFKQVEY LLIHGTADDN VHFQQSAQIS KALVDVGVDF QAMWYTDEDH DATA SEQUENCE GIASSTAHQH IYTHMSHFIK QcFSLP 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 41 K HA 0.000 nan 4.320 nan 0.000 0.191 41 K C 0.000 176.668 176.600 0.114 0.000 0.988 41 K CA 0.000 56.346 56.287 0.099 0.000 0.838 41 K CB 0.000 32.564 32.500 0.107 0.000 1.064 42 T N -2.349 112.282 114.554 0.128 0.000 2.907 42 T HA 0.372 4.722 4.350 0.000 0.000 0.290 42 T C -1.152 173.681 174.700 0.222 0.000 1.066 42 T CA -0.729 61.463 62.100 0.153 0.000 1.012 42 T CB 0.978 69.918 68.868 0.120 0.000 1.184 42 T HN 0.501 nan 8.240 nan 0.000 0.522 43 Y N 2.595 122.977 120.300 0.137 0.000 2.486 43 Y HA 0.412 4.962 4.550 0.000 0.000 0.348 43 Y C 0.946 177.010 175.900 0.274 0.000 1.000 43 Y CA -0.015 58.219 58.100 0.223 0.000 1.253 43 Y CB 0.093 38.650 38.460 0.162 0.000 1.140 43 Y HN 1.025 nan 8.280 nan 0.000 0.526 44 T N 2.288 116.872 114.554 0.051 0.000 2.910 44 T HA 0.175 4.525 4.350 0.000 0.000 0.279 44 T C 0.828 175.602 174.700 0.124 0.000 0.989 44 T CA -0.800 61.471 62.100 0.286 0.000 0.968 44 T CB 1.148 70.105 68.868 0.149 0.000 1.135 44 T HN 0.619 nan 8.240 nan 0.000 0.562 45 L N 0.709 121.876 121.223 -0.093 0.000 2.046 45 L HA 0.036 4.377 4.340 0.000 0.000 0.208 45 L C 2.667 179.433 176.870 -0.174 0.000 1.077 45 L CA 2.145 56.708 54.840 -0.462 0.000 0.747 45 L CB -1.574 40.027 42.059 -0.763 0.000 0.896 45 L HN 0.957 nan 8.230 nan 0.000 0.432 46 T N -0.366 114.104 114.554 -0.140 0.000 2.720 46 T HA -0.182 4.168 4.350 0.000 0.000 0.268 46 T C 1.479 176.081 174.700 -0.164 0.000 1.037 46 T CA 1.568 63.591 62.100 -0.129 0.000 1.144 46 T CB -0.360 68.453 68.868 -0.092 0.000 0.864 46 T HN 0.404 nan 8.240 nan 0.000 0.444 47 D N 0.100 120.361 120.400 -0.231 0.000 2.087 47 D HA -0.108 4.533 4.640 0.000 0.000 0.192 47 D C 1.778 177.962 176.300 -0.192 0.000 0.993 47 D CA 1.159 54.951 54.000 -0.347 0.000 0.828 47 D CB -0.608 39.803 40.800 -0.648 0.000 0.968 47 D HN 0.382 nan 8.370 nan 0.000 0.448 48 Y N 1.740 121.879 120.300 -0.269 0.000 2.053 48 Y HA -0.215 4.336 4.550 0.000 0.000 0.277 48 Y C 2.284 178.190 175.900 0.011 0.000 1.159 48 Y CA 1.391 59.526 58.100 0.058 0.000 1.125 48 Y CB -0.798 37.759 38.460 0.163 0.000 0.969 48 Y HN -0.064 nan 8.280 nan 0.000 0.492 49 L N -0.084 120.946 121.223 -0.320 0.000 2.017 49 L HA -0.212 4.128 4.340 0.000 0.000 0.208 49 L C 2.110 178.857 176.870 -0.205 0.000 1.073 49 L CA 1.592 56.210 54.840 -0.371 0.000 0.745 49 L CB -0.598 41.303 42.059 -0.264 0.000 0.894 49 L HN 0.032 nan 8.230 nan 0.000 0.432 50 K N 0.342 120.651 120.400 -0.152 0.000 2.505 50 K HA -0.014 4.307 4.320 0.000 0.000 0.192 50 K C 0.170 176.711 176.600 -0.099 0.000 1.025 50 K CA 0.029 56.248 56.287 -0.114 0.000 1.086 50 K CB -0.982 31.450 32.500 -0.113 0.000 0.840 50 K HN 0.345 nan 8.250 nan 0.000 0.514 51 N N 1.476 120.127 118.700 -0.081 0.000 2.714 51 N HA -0.223 4.517 4.740 0.000 0.000 0.252 51 N C 0.222 175.701 175.510 -0.053 0.000 1.014 51 N CA 0.463 53.506 53.050 -0.012 0.000 0.735 51 N CB -0.405 38.080 38.487 -0.004 0.000 0.924 51 N HN 0.338 nan 8.380 nan 0.000 0.540 52 T N -2.754 111.692 114.554 -0.179 0.000 3.051 52 T HA -0.105 4.245 4.350 0.000 0.000 0.269 52 T C 0.211 174.622 174.700 -0.482 0.000 1.127 52 T CA 1.032 62.902 62.100 -0.384 0.000 1.107 52 T CB -0.118 68.382 68.868 -0.613 0.000 0.898 52 T HN 0.361 nan 8.240 nan 0.000 0.517 53 Y N 1.853 122.241 120.300 0.145 0.000 2.681 53 Y HA 0.512 5.062 4.550 0.000 0.000 0.347 53 Y C -0.006 176.003 175.900 0.181 0.000 1.029 53 Y CA -1.916 56.295 58.100 0.185 0.000 1.279 53 Y CB 0.655 39.289 38.460 0.289 0.000 1.096 53 Y HN 0.034 nan 8.280 nan 0.000 0.580 54 R N 1.842 122.488 120.500 0.243 0.000 2.410 54 R HA 0.595 4.935 4.340 0.000 0.000 0.288 54 R C -1.174 175.233 176.300 0.178 0.000 1.051 54 R CA -0.865 55.344 56.100 0.182 0.000 1.021 54 R CB 0.842 31.208 30.300 0.109 0.000 1.032 54 R HN 0.257 nan 8.270 nan 0.000 0.481 55 L N 2.984 124.311 121.223 0.172 0.000 2.275 55 L HA 0.291 4.631 4.340 0.000 0.000 0.288 55 L C 0.302 177.242 176.870 0.116 0.000 1.046 55 L CA -0.041 54.895 54.840 0.159 0.000 0.805 55 L CB 0.859 43.038 42.059 0.200 0.000 1.193 55 L HN 0.416 nan 8.230 nan 0.000 0.426 56 K N 4.057 124.512 120.400 0.092 0.000 2.270 56 K HA 0.590 4.910 4.320 0.000 0.000 0.276 56 K C -0.605 175.998 176.600 0.005 0.000 1.023 56 K CA -0.394 55.920 56.287 0.045 0.000 0.955 56 K CB 0.991 33.513 32.500 0.036 0.000 0.975 56 K HN 0.424 nan 8.250 nan 0.000 0.471 57 L N 1.145 122.315 121.223 -0.089 0.000 2.211 57 L HA 0.475 4.815 4.340 0.000 0.000 0.259 57 L C -0.879 175.748 176.870 -0.406 0.000 1.031 57 L CA -1.156 53.506 54.840 -0.297 0.000 0.877 57 L CB 0.704 42.715 42.059 -0.082 0.000 1.457 57 L HN 0.523 nan 8.230 nan 0.000 0.466 58 Y N 0.325 120.198 120.300 -0.713 0.000 2.544 58 Y HA 0.349 4.899 4.550 0.000 0.000 0.347 58 Y C -0.673 175.143 175.900 -0.141 0.000 1.089 58 Y CA -0.615 57.263 58.100 -0.370 0.000 1.230 58 Y CB 1.146 39.239 38.460 -0.611 0.000 1.101 58 Y HN 0.404 nan 8.280 nan 0.000 0.641 59 S N 5.725 121.420 115.700 -0.008 0.000 2.448 59 S HA 0.547 5.018 4.470 0.000 0.000 0.279 59 S C -0.659 173.970 174.600 0.048 0.000 1.195 59 S CA -0.386 57.825 58.200 0.017 0.000 1.051 59 S CB -0.187 62.990 63.200 -0.038 0.000 0.948 59 S HN 0.554 nan 8.310 nan 0.000 0.493 60 L N 1.766 123.000 121.223 0.018 0.000 2.333 60 L HA 0.809 5.149 4.340 0.000 0.000 0.263 60 L C -0.529 176.260 176.870 -0.135 0.000 1.014 60 L CA -1.007 53.780 54.840 -0.090 0.000 0.820 60 L CB 1.275 43.012 42.059 -0.536 0.000 1.352 60 L HN 0.372 nan 8.230 nan 0.000 0.421 61 R N 0.831 121.278 120.500 -0.088 0.000 2.500 61 R HA 0.393 4.733 4.340 0.000 0.000 0.299 61 R C -1.826 174.507 176.300 0.054 0.000 1.038 61 R CA -0.377 55.731 56.100 0.013 0.000 0.903 61 R CB 1.059 31.420 30.300 0.101 0.000 1.177 61 R HN 0.659 nan 8.270 nan 0.000 0.455 62 W N 4.146 125.554 121.300 0.180 0.000 2.210 62 W HA 0.119 4.779 4.660 0.000 0.000 0.330 62 W C 1.606 178.222 176.519 0.162 0.000 1.334 62 W CA -0.357 57.119 57.345 0.218 0.000 1.227 62 W CB 0.341 29.920 29.460 0.198 0.000 1.178 62 W HN 0.654 nan 8.180 nan 0.000 0.560 63 I N -0.226 120.551 120.570 0.345 0.000 4.187 63 I HA 0.272 4.442 4.170 0.000 0.000 0.326 63 I C 0.705 176.948 176.117 0.210 0.000 1.302 63 I CA -0.028 61.391 61.300 0.199 0.000 1.196 63 I CB -0.068 37.983 38.000 0.084 0.000 1.095 63 I HN 0.284 nan 8.210 nan 0.000 0.411 64 S N -0.332 115.545 115.700 0.294 0.000 2.843 64 S HA 0.346 4.816 4.470 0.000 0.000 0.301 64 S C -0.231 174.561 174.600 0.319 0.000 1.206 64 S CA -0.254 58.099 58.200 0.255 0.000 0.875 64 S CB 1.692 65.025 63.200 0.222 0.000 1.248 64 S HN 0.070 nan 8.310 nan 0.000 0.555 65 D N -1.449 119.114 120.400 0.272 0.000 2.349 65 D HA 0.294 4.934 4.640 0.000 0.000 0.214 65 D C 0.822 177.392 176.300 0.450 0.000 1.063 65 D CA 0.495 54.651 54.000 0.260 0.000 0.847 65 D CB 0.143 41.042 40.800 0.166 0.000 0.933 65 D HN 0.601 nan 8.370 nan 0.000 0.513 66 H N -1.031 118.233 119.070 0.324 0.000 3.400 66 H HA 0.409 4.965 4.556 0.000 0.000 0.251 66 H C -0.190 175.277 175.328 0.232 0.000 1.040 66 H CA 0.160 56.400 56.048 0.322 0.000 1.175 66 H CB 0.825 30.716 29.762 0.216 0.000 1.487 66 H HN -0.020 nan 8.280 nan 0.000 0.505 67 E N -0.277 120.137 120.200 0.356 0.000 2.320 67 E HA 0.371 4.721 4.350 0.000 0.000 0.264 67 E C -1.481 175.307 176.600 0.313 0.000 0.923 67 E CA -1.234 55.284 56.400 0.197 0.000 0.796 67 E CB 2.793 32.569 29.700 0.127 0.000 1.262 67 E HN 0.150 nan 8.360 nan 0.000 0.428 68 Y N -1.431 118.903 120.300 0.057 0.000 2.592 68 Y HA 0.484 5.034 4.550 0.000 0.000 0.334 68 Y C -2.017 173.870 175.900 -0.020 0.000 1.136 68 Y CA -1.257 56.789 58.100 -0.090 0.000 1.042 68 Y CB 0.578 38.658 38.460 -0.634 0.000 1.325 68 Y HN 0.357 nan 8.280 nan 0.000 0.457 69 L N 3.738 125.123 121.223 0.270 0.000 2.325 69 L HA 0.510 4.850 4.340 0.000 0.000 0.279 69 L C -1.299 175.802 176.870 0.386 0.000 1.054 69 L CA -0.978 53.981 54.840 0.198 0.000 0.804 69 L CB 1.560 43.610 42.059 -0.014 0.000 1.200 69 L HN 0.840 nan 8.230 nan 0.000 0.436 70 Y N 2.116 122.562 120.300 0.244 0.000 2.362 70 Y HA 0.275 4.825 4.550 0.000 0.000 0.326 70 Y C -0.815 175.149 175.900 0.107 0.000 1.083 70 Y CA -1.275 56.925 58.100 0.166 0.000 1.073 70 Y CB 1.313 39.931 38.460 0.263 0.000 1.211 70 Y HN 0.424 nan 8.280 nan 0.000 0.433 71 K N 4.632 124.642 120.400 -0.650 0.000 2.336 71 K HA 0.122 4.442 4.320 0.000 0.000 0.290 71 K C -0.538 175.691 176.600 -0.618 0.000 1.067 71 K CA -0.114 55.894 56.287 -0.464 0.000 0.962 71 K CB 0.437 32.763 32.500 -0.289 0.000 1.008 71 K HN 0.402 nan 8.250 nan 0.000 0.467 72 Q N 4.285 123.955 119.800 -0.218 0.000 2.569 72 Q HA 0.068 4.408 4.340 0.000 0.000 0.226 72 Q C -0.752 175.228 176.000 -0.033 0.000 1.136 72 Q CA 0.350 56.132 55.803 -0.035 0.000 0.947 72 Q CB -0.250 28.578 28.738 0.151 0.000 1.218 72 Q HN 0.716 nan 8.270 nan 0.000 0.547 73 E N 1.293 121.455 120.200 -0.063 0.000 2.857 73 E HA -0.270 4.080 4.350 0.000 0.000 0.341 73 E C -0.363 176.217 176.600 -0.033 0.000 1.399 73 E CA 1.308 57.687 56.400 -0.034 0.000 1.280 73 E CB -1.148 28.548 29.700 -0.007 0.000 1.773 73 E HN 0.799 nan 8.360 nan 0.000 0.549 74 N N 2.326 121.017 118.700 -0.016 0.000 2.320 74 N HA 0.147 4.888 4.740 0.000 0.000 0.237 74 N C -0.624 174.882 175.510 -0.007 0.000 1.129 74 N CA 0.122 53.169 53.050 -0.005 0.000 0.854 74 N CB 0.047 38.534 38.487 0.001 0.000 1.083 74 N HN 0.139 nan 8.380 nan 0.000 0.504 75 N N 0.855 119.544 118.700 -0.018 0.000 2.229 75 N HA 0.406 5.147 4.740 0.000 0.000 0.298 75 N C -0.829 174.666 175.510 -0.025 0.000 1.114 75 N CA -0.453 52.586 53.050 -0.019 0.000 0.776 75 N CB 2.395 40.872 38.487 -0.016 0.000 1.501 75 N HN 0.019 nan 8.380 nan 0.000 0.474 76 I N 2.868 123.429 120.570 -0.014 0.000 2.395 76 I HA 0.172 4.342 4.170 0.000 0.000 0.282 76 I C -0.313 175.828 176.117 0.039 0.000 1.107 76 I CA -0.508 60.776 61.300 -0.026 0.000 1.210 76 I CB 0.277 38.202 38.000 -0.124 0.000 1.456 76 I HN 0.180 nan 8.210 nan 0.000 0.504 77 L N 5.147 126.388 121.223 0.031 0.000 2.476 77 L HA 0.298 4.638 4.340 0.000 0.000 0.255 77 L C 0.116 176.968 176.870 -0.031 0.000 1.218 77 L CA 0.026 54.841 54.840 -0.040 0.000 0.819 77 L CB 0.833 42.793 42.059 -0.166 0.000 1.119 77 L HN 0.192 nan 8.230 nan 0.000 0.485 78 V N 1.563 121.376 119.914 -0.167 0.000 2.525 78 V HA 0.509 4.629 4.120 0.000 0.000 0.299 78 V C -0.787 175.095 176.094 -0.354 0.000 1.034 78 V CA -0.409 61.813 62.300 -0.131 0.000 0.863 78 V CB 1.165 32.979 31.823 -0.015 0.000 0.999 78 V HN 0.467 nan 8.190 nan 0.000 0.423 79 F N 4.570 124.266 119.950 -0.422 0.000 2.450 79 F HA 0.548 5.075 4.527 0.000 0.000 0.328 79 F C 0.710 176.184 175.800 -0.542 0.000 1.068 79 F CA -0.511 57.157 58.000 -0.555 0.000 1.007 79 F CB 1.316 39.776 39.000 -0.899 0.000 1.251 79 F HN 0.450 nan 8.300 nan 0.000 0.492 80 N N 0.945 119.541 118.700 -0.173 0.000 2.558 80 N HA 0.273 5.013 4.740 0.000 0.000 0.242 80 N C 0.486 175.801 175.510 -0.325 0.000 0.979 80 N CA 0.040 52.974 53.050 -0.193 0.000 0.931 80 N CB 1.665 40.121 38.487 -0.052 0.000 1.122 80 N HN 0.767 nan 8.380 nan 0.000 0.508 81 A N 3.227 125.769 122.820 -0.464 0.000 1.971 81 A HA -0.260 4.060 4.320 0.000 0.000 0.222 81 A C 1.860 179.013 177.584 -0.718 0.000 1.182 81 A CA 1.944 53.606 52.037 -0.625 0.000 0.649 81 A CB -0.286 18.076 19.000 -1.063 0.000 0.818 81 A HN 0.760 nan 8.150 nan 0.000 0.458 82 E N -0.760 118.973 120.200 -0.779 0.000 2.004 82 E HA -0.106 4.244 4.350 0.000 0.000 0.194 82 E C 1.530 177.843 176.600 -0.479 0.000 0.981 82 E CA 1.465 57.464 56.400 -0.668 0.000 0.842 82 E CB -0.526 28.552 29.700 -1.036 0.000 0.796 82 E HN 0.619 nan 8.360 nan 0.000 0.477 83 Y N 0.145 120.407 120.300 -0.063 0.000 2.632 83 Y HA 0.239 4.789 4.550 0.000 0.000 0.301 83 Y C 1.598 177.475 175.900 -0.038 0.000 1.172 83 Y CA 0.527 58.607 58.100 -0.034 0.000 1.328 83 Y CB -0.756 37.698 38.460 -0.009 0.000 1.016 83 Y HN 0.352 nan 8.280 nan 0.000 0.529 84 G N 1.310 110.091 108.800 -0.031 0.000 2.269 84 G HA2 -0.377 3.583 3.960 0.000 0.000 0.277 84 G HA3 -0.377 3.583 3.960 0.000 0.000 0.277 84 G C 0.207 175.200 174.900 0.156 0.000 1.008 84 G CA 0.527 45.636 45.100 0.014 0.000 0.774 84 G HN 0.569 nan 8.290 nan 0.000 0.511 85 N N -0.386 118.384 118.700 0.118 0.000 2.476 85 N HA 0.693 5.434 4.740 0.000 0.000 0.275 85 N C 0.288 175.758 175.510 -0.066 0.000 1.190 85 N CA 0.280 53.371 53.050 0.069 0.000 0.977 85 N CB 1.722 40.238 38.487 0.047 0.000 1.200 85 N HN 0.701 nan 8.380 nan 0.000 0.515 86 S N -0.991 114.554 115.700 -0.258 0.000 2.971 86 S HA 0.824 5.294 4.470 0.000 0.000 0.320 86 S C -0.916 173.493 174.600 -0.318 0.000 1.111 86 S CA -0.561 57.310 58.200 -0.548 0.000 0.870 86 S CB 0.774 63.131 63.200 -1.405 0.000 1.331 86 S HN 1.197 nan 8.310 nan 0.000 0.635 87 S N -0.898 114.606 115.700 -0.326 0.000 2.604 87 S HA 0.340 4.811 4.470 0.000 0.000 0.296 87 S C -1.179 173.340 174.600 -0.135 0.000 1.097 87 S CA -0.894 57.200 58.200 -0.178 0.000 0.883 87 S CB 0.363 63.494 63.200 -0.116 0.000 1.081 87 S HN 1.078 nan 8.310 nan 0.000 0.448 88 V N 4.172 124.026 119.914 -0.101 0.000 2.450 88 V HA 0.029 4.149 4.120 0.000 0.000 0.264 88 V C 1.252 177.324 176.094 -0.037 0.000 0.996 88 V CA 0.448 62.710 62.300 -0.063 0.000 1.138 88 V CB -1.445 30.334 31.823 -0.072 0.000 1.051 88 V HN 0.884 nan 8.190 nan 0.000 0.470 89 F N 5.885 125.758 119.950 -0.128 0.000 2.365 89 F HA 0.195 4.722 4.527 0.000 0.000 0.300 89 F C 0.475 176.203 175.800 -0.121 0.000 1.090 89 F CA 0.885 58.815 58.000 -0.117 0.000 1.408 89 F CB 0.360 39.295 39.000 -0.108 0.000 1.060 89 F HN 0.385 nan 8.300 nan 0.000 0.534 90 L N 1.007 122.229 121.223 -0.003 0.000 2.705 90 L HA 0.269 4.609 4.340 0.000 0.000 0.260 90 L C -1.207 175.620 176.870 -0.072 0.000 0.921 90 L CA -0.541 54.243 54.840 -0.093 0.000 0.948 90 L CB 1.367 43.443 42.059 0.028 0.000 1.427 90 L HN -0.203 nan 8.230 nan 0.000 0.432 91 E N 2.023 122.152 120.200 -0.118 0.000 2.331 91 E HA 0.153 4.504 4.350 0.000 0.000 0.272 91 E C 0.589 177.136 176.600 -0.087 0.000 1.036 91 E CA -0.038 56.306 56.400 -0.093 0.000 0.864 91 E CB 1.045 30.686 29.700 -0.099 0.000 1.035 91 E HN 0.688 nan 8.360 nan 0.000 0.408 92 N N 1.703 120.374 118.700 -0.048 0.000 2.091 92 N HA -0.319 4.421 4.740 0.000 0.000 0.193 92 N C 1.455 176.945 175.510 -0.034 0.000 1.021 92 N CA 2.249 55.286 53.050 -0.021 0.000 0.862 92 N CB -0.608 37.873 38.487 -0.010 0.000 1.018 92 N HN 0.427 nan 8.380 nan 0.000 0.429 93 S N -0.428 115.238 115.700 -0.057 0.000 2.365 93 S HA -0.279 4.191 4.470 0.000 0.000 0.221 93 S C 1.912 176.441 174.600 -0.118 0.000 1.037 93 S CA 1.962 60.123 58.200 -0.065 0.000 1.060 93 S CB -1.625 61.535 63.200 -0.067 0.000 0.974 93 S HN 0.426 nan 8.310 nan 0.000 0.427 94 T N 2.041 116.469 114.554 -0.209 0.000 2.481 94 T HA -0.252 4.098 4.350 0.000 0.000 0.229 94 T C 0.359 174.776 174.700 -0.473 0.000 1.382 94 T CA 2.184 64.038 62.100 -0.409 0.000 1.082 94 T CB -1.048 67.431 68.868 -0.648 0.000 0.821 94 T HN 0.445 nan 8.240 nan 0.000 0.457 95 F N 2.670 122.504 119.950 -0.193 0.000 2.451 95 F HA 0.274 4.801 4.527 0.000 0.000 0.356 95 F C 1.082 176.825 175.800 -0.095 0.000 1.178 95 F CA -1.856 56.017 58.000 -0.212 0.000 1.210 95 F CB 0.054 38.924 39.000 -0.217 0.000 1.504 95 F HN 0.307 nan 8.300 nan 0.000 0.598 96 D N 1.588 122.031 120.400 0.072 0.000 2.626 96 D HA 0.034 4.674 4.640 0.000 0.000 0.260 96 D C -0.103 176.256 176.300 0.098 0.000 1.281 96 D CA -0.172 53.863 54.000 0.057 0.000 1.098 96 D CB -0.568 40.241 40.800 0.015 0.000 0.923 96 D HN 0.311 nan 8.370 nan 0.000 0.233 97 E N -0.614 119.636 120.200 0.083 0.000 2.442 97 E HA 0.278 4.628 4.350 0.000 0.000 0.262 97 E C -0.873 175.867 176.600 0.234 0.000 1.004 97 E CA 0.314 56.779 56.400 0.108 0.000 0.928 97 E CB 0.359 30.102 29.700 0.073 0.000 0.937 97 E HN 0.306 nan 8.360 nan 0.000 0.446 98 F N 0.888 120.836 119.950 -0.003 0.000 3.587 98 F HA 0.130 4.657 4.527 0.000 0.000 0.323 98 F C 0.160 175.988 175.800 0.047 0.000 0.836 98 F CA -0.262 57.757 58.000 0.030 0.000 1.651 98 F CB -0.326 38.648 39.000 -0.043 0.000 1.880 98 F HN 0.489 nan 8.300 nan 0.000 0.866 99 G N 3.858 112.509 108.800 -0.248 0.000 2.720 99 G HA2 0.244 4.204 3.960 0.000 0.000 0.262 99 G HA3 0.244 4.204 3.960 0.000 0.000 0.262 99 G C -0.552 173.663 174.900 -1.141 0.000 0.705 99 G CA 0.747 45.521 45.100 -0.542 0.000 2.018 99 G HN 0.714 nan 8.290 nan 0.000 0.570 100 H N -1.270 117.421 119.070 -0.632 0.000 3.087 100 H HA 0.371 4.927 4.556 0.000 0.000 0.348 100 H C -0.558 174.584 175.328 -0.309 0.000 1.092 100 H CA -0.772 54.917 56.048 -0.597 0.000 1.285 100 H CB 1.196 30.223 29.762 -1.226 0.000 1.875 100 H HN 0.098 nan 8.280 nan 0.000 0.512 101 S N 3.110 118.785 115.700 -0.042 0.000 2.455 101 S HA 0.293 4.764 4.470 0.000 0.000 0.278 101 S C 0.105 174.748 174.600 0.071 0.000 1.216 101 S CA -0.614 57.592 58.200 0.009 0.000 1.055 101 S CB -0.352 62.853 63.200 0.008 0.000 0.939 101 S HN 0.464 nan 8.310 nan 0.000 0.494 102 I N 6.406 127.017 120.570 0.068 0.000 2.371 102 I HA 0.250 4.420 4.170 0.000 0.000 0.290 102 I C 0.107 176.254 176.117 0.050 0.000 1.028 102 I CA -0.477 60.877 61.300 0.090 0.000 1.345 102 I CB 0.649 38.685 38.000 0.059 0.000 1.407 102 I HN 0.673 nan 8.210 nan 0.000 0.501 103 N N 5.965 124.684 118.700 0.032 0.000 2.491 103 N HA 0.246 4.986 4.740 0.000 0.000 0.274 103 N C -1.011 174.463 175.510 -0.060 0.000 1.023 103 N CA -0.547 52.478 53.050 -0.041 0.000 0.902 103 N CB 1.764 40.182 38.487 -0.115 0.000 1.267 103 N HN 0.591 nan 8.380 nan 0.000 0.503 104 D N 0.778 121.147 120.400 -0.053 0.000 10.050 104 D HA -0.213 4.427 4.640 0.000 0.000 0.307 104 D C -0.979 175.299 176.300 -0.037 0.000 2.837 104 D CA 0.684 54.617 54.000 -0.112 0.000 2.563 104 D CB -0.375 40.328 40.800 -0.161 0.000 1.087 104 D HN 0.570 nan 8.370 nan 0.000 0.825 105 Y N 0.999 121.334 120.300 0.058 0.000 2.698 105 Y HA 0.812 5.362 4.550 0.000 0.000 0.349 105 Y C 0.382 176.367 175.900 0.142 0.000 1.242 105 Y CA -0.487 57.673 58.100 0.101 0.000 1.341 105 Y CB 0.849 39.376 38.460 0.112 0.000 1.558 105 Y HN 0.483 nan 8.280 nan 0.000 0.649 106 S N 0.512 116.552 115.700 0.566 0.000 2.277 106 S HA 0.358 4.829 4.470 0.000 0.000 0.230 106 S C -1.874 172.981 174.600 0.426 0.000 0.893 106 S CA -0.579 57.872 58.200 0.418 0.000 1.044 106 S CB -0.672 62.740 63.200 0.354 0.000 1.252 106 S HN 0.559 nan 8.310 nan 0.000 0.393 107 I N 4.479 125.242 120.570 0.322 0.000 2.529 107 I HA 0.285 4.455 4.170 0.000 0.000 0.284 107 I C 1.196 177.140 176.117 -0.289 0.000 1.082 107 I CA 0.512 61.841 61.300 0.048 0.000 1.406 107 I CB 1.378 39.349 38.000 -0.047 0.000 1.405 107 I HN 0.724 nan 8.210 nan 0.000 0.548 108 S N 6.694 121.979 115.700 -0.691 0.000 2.589 108 S HA 0.250 4.720 4.470 0.000 0.000 0.265 108 S C -1.834 172.492 174.600 -0.456 0.000 1.342 108 S CA -0.766 56.702 58.200 -1.220 0.000 1.005 108 S CB 0.461 62.692 63.200 -1.614 0.000 0.909 108 S HN 0.462 nan 8.310 nan 0.000 0.555 109 P HA -0.050 nan 4.420 nan 0.000 0.216 109 P C 0.813 178.087 177.300 -0.043 0.000 1.153 109 P CA 1.087 64.131 63.100 -0.093 0.000 0.848 109 P CB -0.032 31.644 31.700 -0.041 0.000 0.787 110 D N -1.450 118.933 120.400 -0.028 0.000 2.218 110 D HA -0.053 4.587 4.640 0.000 0.000 0.204 110 D C 1.583 177.888 176.300 0.008 0.000 0.976 110 D CA 1.718 55.743 54.000 0.043 0.000 0.853 110 D CB -0.731 40.167 40.800 0.163 0.000 0.939 110 D HN 0.147 nan 8.370 nan 0.000 0.481 111 G N 0.640 109.421 108.800 -0.033 0.000 2.143 111 G HA2 -0.356 3.604 3.960 0.000 0.000 0.248 111 G HA3 -0.356 3.604 3.960 0.000 0.000 0.248 111 G C 0.801 175.690 174.900 -0.018 0.000 0.991 111 G CA 0.483 45.609 45.100 0.043 0.000 0.689 111 G HN 0.407 nan 8.290 nan 0.000 0.522 112 Q N -1.620 118.116 119.800 -0.107 0.000 2.319 112 Q HA 0.482 4.822 4.340 0.000 0.000 0.202 112 Q C 0.069 175.587 176.000 -0.803 0.000 0.896 112 Q CA 0.466 56.031 55.803 -0.397 0.000 0.942 112 Q CB 0.443 28.953 28.738 -0.380 0.000 1.083 112 Q HN 0.596 nan 8.270 nan 0.000 0.510 113 F N -1.077 118.822 119.950 -0.084 0.000 2.741 113 F HA 0.440 4.967 4.527 0.000 0.000 0.313 113 F C -0.734 175.128 175.800 0.105 0.000 1.153 113 F CA -0.964 57.079 58.000 0.072 0.000 0.931 113 F CB 1.543 40.715 39.000 0.286 0.000 1.335 113 F HN -0.293 nan 8.300 nan 0.000 0.460 114 I N 2.941 123.828 120.570 0.528 0.000 2.854 114 I HA 0.144 4.314 4.170 0.000 0.000 0.280 114 I C -1.128 175.306 176.117 0.529 0.000 1.482 114 I CA -0.499 61.086 61.300 0.473 0.000 0.884 114 I CB 1.163 39.433 38.000 0.450 0.000 1.600 114 I HN 0.327 nan 8.210 nan 0.000 0.585 115 L N 5.156 126.784 121.223 0.675 0.000 2.653 115 L HA -0.001 4.339 4.340 0.000 0.000 0.288 115 L C -0.567 176.524 176.870 0.368 0.000 1.243 115 L CA 1.289 56.429 54.840 0.500 0.000 0.906 115 L CB 0.140 42.474 42.059 0.458 0.000 1.154 115 L HN 0.338 nan 8.230 nan 0.000 0.498 116 L N 5.528 126.883 121.223 0.220 0.000 2.287 116 L HA 0.469 4.809 4.340 0.000 0.000 0.287 116 L C 0.071 176.992 176.870 0.084 0.000 1.022 116 L CA -0.443 54.449 54.840 0.087 0.000 0.814 116 L CB 1.376 43.310 42.059 -0.209 0.000 1.217 116 L HN 0.639 nan 8.230 nan 0.000 0.420 117 E N 4.037 124.244 120.200 0.013 0.000 2.156 117 E HA 0.421 4.771 4.350 0.000 0.000 0.279 117 E C -1.711 174.834 176.600 -0.091 0.000 0.965 117 E CA -0.553 55.666 56.400 -0.302 0.000 0.789 117 E CB 1.054 30.655 29.700 -0.164 0.000 1.098 117 E HN 0.466 nan 8.360 nan 0.000 0.397 118 Y N 1.926 122.055 120.300 -0.285 0.000 2.571 118 Y HA 0.467 5.017 4.550 0.000 0.000 0.341 118 Y C -0.367 175.477 175.900 -0.094 0.000 1.076 118 Y CA -1.327 56.704 58.100 -0.114 0.000 1.029 118 Y CB 1.032 39.476 38.460 -0.027 0.000 1.308 118 Y HN 0.633 nan 8.280 nan 0.000 0.461 119 N N -0.587 118.165 118.700 0.087 0.000 2.999 119 N HA -0.259 4.481 4.740 0.000 0.000 0.242 119 N C -1.042 174.473 175.510 0.009 0.000 1.016 119 N CA 0.647 53.714 53.050 0.027 0.000 0.894 119 N CB -1.952 36.478 38.487 -0.094 0.000 1.113 119 N HN 0.873 nan 8.380 nan 0.000 0.555 120 Y N 1.090 121.335 120.300 -0.091 0.000 2.916 120 Y HA 0.133 4.683 4.550 0.000 0.000 0.344 120 Y C -0.122 175.744 175.900 -0.057 0.000 1.282 120 Y CA 0.447 58.486 58.100 -0.102 0.000 1.604 120 Y CB 0.391 38.734 38.460 -0.196 0.000 1.207 120 Y HN -0.011 nan 8.280 nan 0.000 0.561 121 V N 8.040 127.633 119.914 -0.536 0.000 2.327 121 V HA 0.138 4.258 4.120 0.000 0.000 0.272 121 V C -0.236 175.518 176.094 -0.566 0.000 1.019 121 V CA -1.289 60.739 62.300 -0.452 0.000 0.814 121 V CB 0.719 32.418 31.823 -0.208 0.000 1.040 121 V HN 0.706 nan 8.190 nan 0.000 0.440 122 K N 3.546 123.488 120.400 -0.763 0.000 2.513 122 K HA -0.080 4.240 4.320 0.000 0.000 0.275 122 K C 0.344 176.792 176.600 -0.255 0.000 1.025 122 K CA 1.165 57.195 56.287 -0.429 0.000 1.125 122 K CB 0.472 32.894 32.500 -0.131 0.000 0.843 122 K HN 0.790 nan 8.250 nan 0.000 0.486 123 Q N 3.582 123.241 119.800 -0.234 0.000 3.062 123 Q HA 0.327 4.667 4.340 0.000 0.000 0.214 123 Q C -0.055 175.817 176.000 -0.213 0.000 1.160 123 Q CA -0.514 55.014 55.803 -0.459 0.000 0.318 123 Q CB 0.012 28.322 28.738 -0.713 0.000 5.730 123 Q HN 0.703 nan 8.270 nan 0.000 0.318 124 W N 0.691 122.013 121.300 0.036 0.000 1.693 124 W HA 0.290 4.950 4.660 0.000 0.000 0.496 124 W C 1.767 178.290 176.519 0.007 0.000 2.119 124 W CA -0.523 56.875 57.345 0.088 0.000 2.376 124 W CB 0.002 29.486 29.460 0.039 0.000 1.804 124 W HN 0.412 nan 8.180 nan 0.000 0.805 125 R N -0.620 120.003 120.500 0.204 0.000 2.189 125 R HA -0.129 4.211 4.340 0.000 0.000 0.223 125 R C 1.307 177.394 176.300 -0.355 0.000 1.092 125 R CA 1.467 57.482 56.100 -0.141 0.000 0.989 125 R CB -0.217 29.863 30.300 -0.366 0.000 0.876 125 R HN 0.507 nan 8.270 nan 0.000 0.457 126 H N -1.726 117.451 119.070 0.178 0.000 3.207 126 H HA 0.131 4.687 4.556 0.000 0.000 0.237 126 H C 0.586 176.006 175.328 0.153 0.000 0.959 126 H CA 0.457 56.624 56.048 0.198 0.000 1.091 126 H CB 0.163 30.013 29.762 0.146 0.000 1.447 126 H HN 0.120 nan 8.280 nan 0.000 0.477 127 S N 1.381 117.065 115.700 -0.026 0.000 2.584 127 S HA 0.355 4.825 4.470 0.000 0.000 0.270 127 S C -0.250 174.127 174.600 -0.371 0.000 1.346 127 S CA -0.223 57.520 58.200 -0.761 0.000 1.018 127 S CB 0.686 63.033 63.200 -1.421 0.000 0.899 127 S HN 0.448 nan 8.310 nan 0.000 0.542 128 Y N -2.948 117.063 120.300 -0.483 0.000 2.791 128 Y HA 0.476 5.026 4.550 0.000 0.000 0.379 128 Y C -1.059 174.757 175.900 -0.140 0.000 1.168 128 Y CA -0.830 57.073 58.100 -0.328 0.000 1.356 128 Y CB -0.022 38.254 38.460 -0.307 0.000 1.444 128 Y HN 0.987 nan 8.280 nan 0.000 0.515 129 T N 0.373 114.965 114.554 0.064 0.000 2.912 129 T HA 1.048 5.398 4.350 0.000 0.000 0.288 129 T C -0.411 174.386 174.700 0.163 0.000 1.030 129 T CA -0.180 61.987 62.100 0.113 0.000 1.020 129 T CB 1.907 70.790 68.868 0.025 0.000 1.056 129 T HN 1.943 nan 8.240 nan 0.000 0.480 130 A N 1.116 124.031 122.820 0.158 0.000 2.610 130 A HA 0.774 5.094 4.320 0.000 0.000 0.291 130 A C -0.454 176.985 177.584 -0.242 0.000 1.086 130 A CA -1.016 50.982 52.037 -0.065 0.000 0.677 130 A CB 1.178 20.122 19.000 -0.094 0.000 1.278 130 A HN 0.849 nan 8.150 nan 0.000 0.414 131 S N -0.255 115.076 115.700 -0.614 0.000 2.585 131 S HA 0.737 5.207 4.470 0.000 0.000 0.277 131 S C -1.164 172.793 174.600 -1.072 0.000 1.241 131 S CA 0.005 57.764 58.200 -0.735 0.000 1.041 131 S CB 0.429 63.039 63.200 -0.983 0.000 0.987 131 S HN 0.453 nan 8.310 nan 0.000 0.512 132 Y N 0.023 120.077 120.300 -0.411 0.000 2.602 132 Y HA 0.577 5.127 4.550 0.000 0.000 0.342 132 Y C -0.148 175.738 175.900 -0.024 0.000 1.029 132 Y CA -0.915 57.069 58.100 -0.194 0.000 1.080 132 Y CB 1.837 40.170 38.460 -0.212 0.000 1.284 132 Y HN 0.511 nan 8.280 nan 0.000 0.485 133 D N 1.445 121.963 120.400 0.196 0.000 2.937 133 D HA 0.389 5.029 4.640 0.000 0.000 0.215 133 D C -1.064 175.317 176.300 0.135 0.000 1.274 133 D CA -0.254 53.815 54.000 0.115 0.000 0.869 133 D CB 2.395 43.218 40.800 0.039 0.000 1.675 133 D HN 0.371 nan 8.370 nan 0.000 0.538 134 I N 1.435 122.101 120.570 0.160 0.000 2.664 134 I HA 0.358 4.528 4.170 0.000 0.000 0.308 134 I C -0.850 175.516 176.117 0.415 0.000 0.984 134 I CA -0.774 60.711 61.300 0.307 0.000 1.213 134 I CB 1.292 39.436 38.000 0.240 0.000 1.379 134 I HN 0.307 nan 8.210 nan 0.000 0.501 135 Y N 3.984 124.514 120.300 0.383 0.000 2.332 135 Y HA 0.225 4.775 4.550 0.000 0.000 0.325 135 Y C -0.630 175.397 175.900 0.211 0.000 1.054 135 Y CA -1.144 57.137 58.100 0.302 0.000 1.119 135 Y CB 1.123 39.836 38.460 0.423 0.000 1.168 135 Y HN 0.519 nan 8.280 nan 0.000 0.439 136 D N 6.198 126.426 120.400 -0.286 0.000 2.417 136 D HA 0.067 4.708 4.640 0.000 0.000 0.250 136 D C 0.750 176.566 176.300 -0.806 0.000 1.166 136 D CA 0.284 53.908 54.000 -0.628 0.000 0.881 136 D CB 1.141 41.670 40.800 -0.453 0.000 1.164 136 D HN 0.903 nan 8.370 nan 0.000 0.467 137 L N 3.556 124.391 121.223 -0.647 0.000 2.478 137 L HA -0.047 4.293 4.340 0.000 0.000 0.223 137 L C 1.501 178.096 176.870 -0.458 0.000 1.140 137 L CA 0.299 54.834 54.840 -0.508 0.000 0.842 137 L CB -0.233 41.612 42.059 -0.357 0.000 0.953 137 L HN 0.355 nan 8.230 nan 0.000 0.452 138 N N -0.949 117.485 118.700 -0.443 0.000 2.273 138 N HA -0.018 4.722 4.740 0.000 0.000 0.192 138 N C 1.503 176.842 175.510 -0.286 0.000 1.132 138 N CA 0.282 53.137 53.050 -0.325 0.000 0.887 138 N CB 0.421 38.743 38.487 -0.276 0.000 1.048 138 N HN 0.043 nan 8.380 nan 0.000 0.490 139 K N 1.331 121.531 120.400 -0.332 0.000 2.358 139 K HA 0.179 4.500 4.320 0.000 0.000 0.200 139 K C 0.102 176.533 176.600 -0.281 0.000 1.030 139 K CA -0.127 56.011 56.287 -0.248 0.000 1.097 139 K CB 0.297 32.677 32.500 -0.201 0.000 0.862 139 K HN -0.138 nan 8.250 nan 0.000 0.534 140 R N 0.898 121.135 120.500 -0.437 0.000 3.782 140 R HA -0.230 4.110 4.340 0.000 0.000 0.276 140 R C -0.125 176.043 176.300 -0.219 0.000 1.178 140 R CA 0.825 56.659 56.100 -0.445 0.000 0.783 140 R CB -1.901 28.308 30.300 -0.152 0.000 1.146 140 R HN 0.502 nan 8.270 nan 0.000 0.507 141 Q N 0.647 120.283 119.800 -0.272 0.000 2.348 141 Q HA 0.317 4.657 4.340 0.000 0.000 0.265 141 Q C -0.618 175.444 176.000 0.102 0.000 0.998 141 Q CA -0.809 54.993 55.803 -0.001 0.000 0.831 141 Q CB 1.135 29.858 28.738 -0.025 0.000 1.251 141 Q HN 0.163 nan 8.270 nan 0.000 0.456 142 L N 4.547 125.991 121.223 0.368 0.000 2.540 142 L HA 0.088 4.429 4.340 0.000 0.000 0.276 142 L C -0.589 176.391 176.870 0.183 0.000 1.212 142 L CA 0.303 55.378 54.840 0.392 0.000 0.893 142 L CB 0.262 42.440 42.059 0.198 0.000 1.138 142 L HN 0.611 nan 8.230 nan 0.000 0.491 143 I N 4.294 124.975 120.570 0.185 0.000 3.094 143 I HA -0.023 4.147 4.170 0.000 0.000 0.291 143 I C 1.399 177.559 176.117 0.070 0.000 1.250 143 I CA 1.124 62.497 61.300 0.122 0.000 1.401 143 I CB 0.494 38.568 38.000 0.123 0.000 1.343 143 I HN 0.893 nan 8.210 nan 0.000 0.599 144 T N 0.528 115.109 114.554 0.046 0.000 3.098 144 T HA 0.098 4.448 4.350 0.000 0.000 0.256 144 T C 0.096 174.800 174.700 0.008 0.000 0.921 144 T CA -0.411 61.705 62.100 0.027 0.000 0.916 144 T CB 0.103 68.988 68.868 0.029 0.000 1.246 144 T HN 0.629 nan 8.240 nan 0.000 0.511 145 E N 2.810 123.014 120.200 0.007 0.000 2.283 145 E HA 0.265 4.615 4.350 0.000 0.000 0.278 145 E C -0.224 176.358 176.600 -0.030 0.000 1.027 145 E CA -0.237 56.158 56.400 -0.009 0.000 0.843 145 E CB 0.965 30.665 29.700 0.000 0.000 1.062 145 E HN 0.100 nan 8.360 nan 0.000 0.401 146 E N 0.444 120.613 120.200 -0.051 0.000 3.562 146 E HA -0.243 4.107 4.350 0.000 0.000 0.298 146 E C 0.105 176.635 176.600 -0.117 0.000 0.830 146 E CA 1.353 57.704 56.400 -0.081 0.000 1.013 146 E CB -1.320 28.338 29.700 -0.069 0.000 1.510 146 E HN 0.846 nan 8.360 nan 0.000 0.463 147 R N 1.059 121.501 120.500 -0.097 0.000 2.442 147 R HA -0.099 4.241 4.340 0.000 0.000 0.274 147 R C 0.732 176.899 176.300 -0.222 0.000 0.944 147 R CA 0.632 56.660 56.100 -0.119 0.000 1.097 147 R CB -0.462 29.795 30.300 -0.071 0.000 0.847 147 R HN 0.228 nan 8.270 nan 0.000 0.430 148 I N 3.796 124.193 120.570 -0.288 0.000 2.815 148 I HA -0.054 4.116 4.170 0.000 0.000 0.291 148 I C -1.224 174.605 176.117 -0.480 0.000 1.209 148 I CA -1.229 59.758 61.300 -0.522 0.000 1.431 148 I CB -0.077 37.581 38.000 -0.569 0.000 1.351 148 I HN 0.454 nan 8.210 nan 0.000 0.585 149 P HA -0.055 nan 4.420 nan 0.000 0.273 149 P C -0.665 176.441 177.300 -0.323 0.000 1.252 149 P CA -0.057 62.639 63.100 -0.675 0.000 0.809 149 P CB 0.374 31.243 31.700 -1.384 0.000 1.017 150 N N 0.837 119.454 118.700 -0.137 0.000 2.384 150 N HA 0.174 4.914 4.740 0.000 0.000 0.301 150 N C -0.457 175.176 175.510 0.205 0.000 1.133 150 N CA -0.273 52.785 53.050 0.013 0.000 0.853 150 N CB 0.330 38.827 38.487 0.016 0.000 1.241 150 N HN 0.332 nan 8.380 nan 0.000 0.502 151 N N -0.351 118.428 118.700 0.132 0.000 2.869 151 N HA -0.139 4.601 4.740 0.000 0.000 0.249 151 N C -1.123 174.524 175.510 0.227 0.000 1.104 151 N CA 0.710 53.845 53.050 0.143 0.000 0.760 151 N CB -1.558 37.010 38.487 0.135 0.000 1.108 151 N HN 0.450 nan 8.380 nan 0.000 0.555 152 T N 0.536 115.246 114.554 0.260 0.000 2.853 152 T HA 0.034 4.384 4.350 0.000 0.000 0.298 152 T C 1.508 176.351 174.700 0.239 0.000 0.978 152 T CA 0.165 62.433 62.100 0.281 0.000 1.152 152 T CB 0.848 69.793 68.868 0.128 0.000 0.914 152 T HN 0.180 nan 8.240 nan 0.000 0.539 153 Q N 1.962 121.908 119.800 0.244 0.000 2.331 153 Q HA 0.114 4.454 4.340 0.000 0.000 0.203 153 Q C 0.149 176.421 176.000 0.452 0.000 0.944 153 Q CA 0.436 56.439 55.803 0.333 0.000 0.892 153 Q CB 0.583 29.509 28.738 0.315 0.000 0.983 153 Q HN 0.709 nan 8.270 nan 0.000 0.482 154 W N -0.698 120.632 121.300 0.050 0.000 3.755 154 W HA 0.340 5.000 4.660 0.000 0.000 0.277 154 W C -2.412 174.051 176.519 -0.093 0.000 1.237 154 W CA -0.639 56.688 57.345 -0.031 0.000 1.192 154 W CB 0.449 29.879 29.460 -0.051 0.000 1.285 154 W HN -0.260 nan 8.180 nan 0.000 0.569 155 V N 3.869 123.202 119.914 -0.968 0.000 3.158 155 V HA 0.959 5.079 4.120 0.000 0.000 0.311 155 V C -1.164 174.451 176.094 -0.798 0.000 1.181 155 V CA 0.094 61.963 62.300 -0.719 0.000 1.054 155 V CB 2.238 33.531 31.823 -0.884 0.000 1.085 155 V HN 0.768 nan 8.190 nan 0.000 0.446 156 T N 2.024 116.355 114.554 -0.371 0.000 3.230 156 T HA 0.340 4.690 4.350 0.000 0.000 0.390 156 T C -1.972 172.723 174.700 -0.008 0.000 1.761 156 T CA -0.401 61.640 62.100 -0.099 0.000 1.129 156 T CB 0.255 69.256 68.868 0.221 0.000 1.583 156 T HN 0.762 nan 8.240 nan 0.000 0.480 157 W N 2.745 124.075 121.300 0.050 0.000 2.213 157 W HA 0.612 5.272 4.660 0.000 0.000 0.356 157 W C 1.113 177.457 176.519 -0.292 0.000 1.273 157 W CA -0.252 57.061 57.345 -0.053 0.000 1.391 157 W CB 0.521 29.956 29.460 -0.042 0.000 1.187 157 W HN 0.821 nan 8.180 nan 0.000 0.649 158 S N 0.307 115.756 115.700 -0.420 0.000 2.603 158 S HA 0.183 4.653 4.470 0.000 0.000 0.268 158 S C -1.915 172.440 174.600 -0.409 0.000 1.317 158 S CA -0.938 56.542 58.200 -1.201 0.000 1.012 158 S CB 0.960 63.391 63.200 -1.282 0.000 0.926 158 S HN 0.232 nan 8.310 nan 0.000 0.539 159 P HA -0.032 nan 4.420 nan 0.000 0.218 159 P C 0.245 177.514 177.300 -0.053 0.000 1.146 159 P CA 1.109 64.175 63.100 -0.057 0.000 0.813 159 P CB -0.158 31.539 31.700 -0.005 0.000 0.778 160 V N -7.408 112.432 119.914 -0.122 0.000 3.114 160 V HA 0.876 4.996 4.120 0.000 0.000 0.308 160 V C 0.221 176.256 176.094 -0.098 0.000 1.168 160 V CA -0.368 61.889 62.300 -0.072 0.000 1.015 160 V CB 1.250 33.045 31.823 -0.047 0.000 1.050 160 V HN 0.377 nan 8.190 nan 0.000 0.433 161 G N 2.256 111.041 108.800 -0.025 0.000 2.512 161 G HA2 -0.097 3.864 3.960 0.000 0.000 0.240 161 G HA3 -0.097 3.864 3.960 0.000 0.000 0.240 161 G C 0.057 175.025 174.900 0.114 0.000 1.246 161 G CA 0.565 45.670 45.100 0.008 0.000 0.919 161 G HN 2.556 nan 8.290 nan 0.000 0.577 162 H N -0.270 118.871 119.070 0.118 0.000 2.767 162 H HA 0.396 4.952 4.556 0.000 0.000 0.235 162 H C -0.031 175.495 175.328 0.330 0.000 1.256 162 H CA -0.384 55.876 56.048 0.353 0.000 0.957 162 H CB -0.069 29.908 29.762 0.358 0.000 2.117 162 H HN 0.411 nan 8.280 nan 0.000 0.602 163 K N 1.505 121.902 120.400 -0.005 0.000 2.298 163 K HA 0.302 4.622 4.320 0.000 0.000 0.280 163 K C -0.422 176.138 176.600 -0.067 0.000 1.032 163 K CA -0.850 55.366 56.287 -0.119 0.000 0.958 163 K CB 2.068 34.348 32.500 -0.367 0.000 0.978 163 K HN 0.132 nan 8.250 nan 0.000 0.472 164 L N 1.557 122.740 121.223 -0.067 0.000 2.362 164 L HA 0.455 4.795 4.340 0.000 0.000 0.275 164 L C -1.077 175.867 176.870 0.124 0.000 0.998 164 L CA -0.296 54.439 54.840 -0.176 0.000 0.820 164 L CB 1.811 43.571 42.059 -0.498 0.000 1.270 164 L HN 0.770 nan 8.230 nan 0.000 0.415 165 A N 4.432 127.385 122.820 0.221 0.000 2.330 165 A HA 0.757 5.077 4.320 0.000 0.000 0.313 165 A C -1.660 175.976 177.584 0.086 0.000 1.124 165 A CA -0.388 51.749 52.037 0.167 0.000 0.774 165 A CB 0.741 19.847 19.000 0.177 0.000 1.198 165 A HN 0.715 nan 8.150 nan 0.000 0.465 166 Y N 0.031 120.294 120.300 -0.061 0.000 2.562 166 Y HA 0.750 5.300 4.550 0.000 0.000 0.345 166 Y C -1.217 174.684 175.900 0.002 0.000 1.045 166 Y CA -1.553 56.491 58.100 -0.093 0.000 1.028 166 Y CB 1.055 39.377 38.460 -0.230 0.000 1.297 166 Y HN 0.379 nan 8.280 nan 0.000 0.463 167 V N 2.625 122.656 119.914 0.195 0.000 2.483 167 V HA 0.401 4.521 4.120 0.000 0.000 0.295 167 V C -1.299 174.981 176.094 0.310 0.000 1.035 167 V CA -0.552 61.834 62.300 0.143 0.000 0.896 167 V CB 1.263 33.123 31.823 0.061 0.000 0.986 167 V HN 0.890 nan 8.190 nan 0.000 0.447 168 W N 4.730 126.043 121.300 0.022 0.000 3.439 168 W HA 0.493 5.153 4.660 0.000 0.000 0.323 168 W C 0.026 176.526 176.519 -0.033 0.000 1.174 168 W CA -0.742 56.587 57.345 -0.026 0.000 1.224 168 W CB 1.242 30.621 29.460 -0.136 0.000 1.348 168 W HN 0.671 nan 8.180 nan 0.000 0.498 169 N N 4.577 122.848 118.700 -0.715 0.000 2.727 169 N HA -0.331 4.410 4.740 0.000 0.000 0.249 169 N C 0.120 175.445 175.510 -0.307 0.000 1.048 169 N CA 1.683 54.316 53.050 -0.696 0.000 0.714 169 N CB -1.325 36.506 38.487 -1.094 0.000 0.959 169 N HN 0.753 nan 8.380 nan 0.000 0.544 170 N N -2.420 116.162 118.700 -0.198 0.000 2.753 170 N HA -0.211 4.529 4.740 0.000 0.000 0.251 170 N C -1.241 174.213 175.510 -0.094 0.000 1.097 170 N CA 1.194 54.160 53.050 -0.140 0.000 0.786 170 N CB -0.293 38.074 38.487 -0.201 0.000 1.137 170 N HN 0.478 nan 8.380 nan 0.000 0.566 171 D N 0.240 120.622 120.400 -0.030 0.000 2.419 171 D HA 0.477 5.117 4.640 0.000 0.000 0.234 171 D C 0.106 176.394 176.300 -0.021 0.000 1.014 171 D CA -0.402 53.562 54.000 -0.059 0.000 0.919 171 D CB 1.630 42.394 40.800 -0.059 0.000 1.366 171 D HN 0.002 nan 8.370 nan 0.000 0.490 172 I N 1.634 122.030 120.570 -0.290 0.000 2.365 172 I HA 0.228 4.398 4.170 0.000 0.000 0.291 172 I C -0.769 175.051 176.117 -0.495 0.000 1.004 172 I CA -0.451 60.638 61.300 -0.352 0.000 1.311 172 I CB 0.554 38.211 38.000 -0.571 0.000 1.401 172 I HN 0.139 nan 8.210 nan 0.000 0.491 173 Y N 4.387 124.278 120.300 -0.682 0.000 2.499 173 Y HA 0.610 5.160 4.550 0.000 0.000 0.347 173 Y C -0.251 175.305 175.900 -0.574 0.000 0.987 173 Y CA -0.963 56.704 58.100 -0.722 0.000 1.044 173 Y CB 2.075 39.821 38.460 -1.189 0.000 1.245 173 Y HN 0.118 nan 8.280 nan 0.000 0.461 174 V N 2.962 122.805 119.914 -0.117 0.000 2.588 174 V HA 0.467 4.587 4.120 0.000 0.000 0.304 174 V C -0.827 175.372 176.094 0.174 0.000 1.042 174 V CA -1.302 61.016 62.300 0.029 0.000 0.877 174 V CB 2.072 33.914 31.823 0.033 0.000 0.996 174 V HN 0.612 nan 8.190 nan 0.000 0.425 175 K N 3.797 124.295 120.400 0.162 0.000 2.358 175 K HA 0.577 4.897 4.320 0.000 0.000 0.260 175 K C 0.421 177.084 176.600 0.104 0.000 0.956 175 K CA -0.510 55.858 56.287 0.136 0.000 0.834 175 K CB 1.879 34.411 32.500 0.054 0.000 1.102 175 K HN 0.572 nan 8.250 nan 0.000 0.431 176 I N 1.526 122.175 120.570 0.132 0.000 3.030 176 I HA -0.024 4.147 4.170 0.000 0.000 0.270 176 I C 0.037 176.186 176.117 0.054 0.000 1.211 176 I CA 0.867 62.211 61.300 0.073 0.000 1.479 176 I CB 0.405 38.462 38.000 0.096 0.000 1.105 176 I HN 0.453 nan 8.210 nan 0.000 0.447 177 E N -0.367 119.878 120.200 0.075 0.000 2.304 177 E HA 0.229 4.579 4.350 0.000 0.000 0.277 177 E C -2.049 174.542 176.600 -0.014 0.000 0.898 177 E CA -1.723 54.733 56.400 0.095 0.000 0.764 177 E CB 1.769 31.547 29.700 0.128 0.000 1.216 177 E HN -0.250 nan 8.360 nan 0.000 0.419 178 P HA -0.219 nan 4.420 nan 0.000 0.218 178 P C 0.879 178.137 177.300 -0.070 0.000 1.152 178 P CA 1.527 64.494 63.100 -0.222 0.000 0.857 178 P CB 0.295 31.689 31.700 -0.509 0.000 0.787 179 N N -1.253 117.450 118.700 0.003 0.000 2.336 179 N HA -0.005 4.735 4.740 0.000 0.000 0.189 179 N C 0.168 175.684 175.510 0.010 0.000 1.113 179 N CA 0.271 53.335 53.050 0.024 0.000 0.858 179 N CB -0.209 38.316 38.487 0.063 0.000 0.970 179 N HN 0.188 nan 8.380 nan 0.000 0.471 180 L N 1.065 122.294 121.223 0.010 0.000 2.343 180 L HA 0.489 4.829 4.340 0.000 0.000 0.275 180 L C -2.261 174.587 176.870 -0.036 0.000 1.056 180 L CA -2.174 52.667 54.840 0.002 0.000 0.804 180 L CB 1.143 43.227 42.059 0.041 0.000 1.203 180 L HN -0.247 nan 8.230 nan 0.000 0.440 181 P HA -0.039 nan 4.420 nan 0.000 0.267 181 P C -0.737 176.445 177.300 -0.195 0.000 1.195 181 P CA 0.312 63.325 63.100 -0.145 0.000 0.773 181 P CB 0.464 32.049 31.700 -0.191 0.000 0.837 182 S N 0.911 116.538 115.700 -0.123 0.000 2.616 182 S HA 0.382 4.852 4.470 0.000 0.000 0.277 182 S C -0.659 173.838 174.600 -0.172 0.000 1.234 182 S CA -0.150 58.035 58.200 -0.026 0.000 1.028 182 S CB 0.106 63.428 63.200 0.202 0.000 0.988 182 S HN 0.237 nan 8.310 nan 0.000 0.522 183 Y N 1.132 121.423 120.300 -0.014 0.000 2.331 183 Y HA 0.360 4.910 4.550 0.000 0.000 0.338 183 Y C 0.937 176.661 175.900 -0.294 0.000 0.992 183 Y CA -0.694 57.355 58.100 -0.086 0.000 1.121 183 Y CB 0.756 39.186 38.460 -0.051 0.000 1.184 183 Y HN 0.387 nan 8.280 nan 0.000 0.469 184 R N 3.346 123.668 120.500 -0.298 0.000 2.489 184 R HA 0.107 4.447 4.340 0.000 0.000 0.287 184 R C 0.148 176.187 176.300 -0.435 0.000 1.053 184 R CA 0.328 55.921 56.100 -0.844 0.000 1.036 184 R CB 0.622 30.238 30.300 -1.139 0.000 0.966 184 R HN 0.749 nan 8.270 nan 0.000 0.432 185 I N 1.027 121.260 120.570 -0.561 0.000 4.139 185 I HA -0.011 4.159 4.170 0.000 0.000 0.320 185 I C 0.960 176.913 176.117 -0.274 0.000 1.290 185 I CA 0.827 61.941 61.300 -0.311 0.000 1.253 185 I CB 0.010 37.790 38.000 -0.368 0.000 1.122 185 I HN 0.549 nan 8.210 nan 0.000 0.421 186 T N -3.897 110.383 114.554 -0.456 0.000 2.903 186 T HA 0.450 4.800 4.350 0.000 0.000 0.299 186 T C -1.093 173.379 174.700 -0.380 0.000 1.093 186 T CA -0.430 61.507 62.100 -0.271 0.000 1.002 186 T CB 1.886 70.558 68.868 -0.327 0.000 1.127 186 T HN 0.100 nan 8.240 nan 0.000 0.488 187 W N 0.836 122.049 121.300 -0.145 0.000 2.075 187 W HA 0.313 4.973 4.660 0.000 0.000 0.332 187 W C 1.335 177.817 176.519 -0.062 0.000 0.905 187 W CA -0.378 56.912 57.345 -0.091 0.000 2.126 187 W CB 0.237 29.655 29.460 -0.070 0.000 1.143 187 W HN 0.960 nan 8.180 nan 0.000 0.542 188 T N -3.291 111.312 114.554 0.081 0.000 3.040 188 T HA 0.330 4.680 4.350 0.000 0.000 0.266 188 T C 1.167 175.873 174.700 0.011 0.000 1.005 188 T CA 0.090 62.222 62.100 0.053 0.000 0.906 188 T CB 0.147 69.040 68.868 0.042 0.000 1.082 188 T HN 0.023 nan 8.240 nan 0.000 0.531 189 G N 1.138 109.919 108.800 -0.031 0.000 2.474 189 G HA2 0.383 4.343 3.960 0.000 0.000 0.233 189 G HA3 0.383 4.343 3.960 0.000 0.000 0.233 189 G C -0.524 174.330 174.900 -0.077 0.000 1.278 189 G CA -0.352 44.706 45.100 -0.069 0.000 0.861 189 G HN 0.450 nan 8.290 nan 0.000 0.567 190 K N 1.158 121.486 120.400 -0.119 0.000 2.690 190 K HA 0.066 4.386 4.320 0.000 0.000 0.305 190 K C -0.220 176.276 176.600 -0.173 0.000 1.200 190 K CA -0.486 55.733 56.287 -0.113 0.000 1.071 190 K CB 0.808 33.279 32.500 -0.048 0.000 1.366 190 K HN 0.777 nan 8.250 nan 0.000 0.513 191 E N 3.327 123.408 120.200 -0.198 0.000 3.666 191 E HA -0.223 4.127 4.350 0.000 0.000 0.292 191 E C -0.336 176.154 176.600 -0.184 0.000 0.764 191 E CA 1.651 57.927 56.400 -0.207 0.000 1.027 191 E CB 0.095 29.708 29.700 -0.146 0.000 0.873 191 E HN 0.675 nan 8.360 nan 0.000 0.551 192 D N 3.269 123.499 120.400 -0.282 0.000 2.702 192 D HA -0.244 4.396 4.640 0.000 0.000 0.233 192 D C -0.074 176.252 176.300 0.043 0.000 1.164 192 D CA 1.415 55.364 54.000 -0.086 0.000 0.638 192 D CB -0.977 39.893 40.800 0.116 0.000 1.041 192 D HN 0.393 nan 8.370 nan 0.000 0.422 193 I N -1.627 118.903 120.570 -0.067 0.000 3.231 193 I HA 0.156 4.326 4.170 0.000 0.000 0.271 193 I C 0.304 176.546 176.117 0.208 0.000 1.035 193 I CA -0.010 61.360 61.300 0.115 0.000 1.757 193 I CB -0.000 38.025 38.000 0.042 0.000 1.803 193 I HN 0.018 nan 8.210 nan 0.000 0.392 194 I N 2.393 122.997 120.570 0.057 0.000 2.355 194 I HA 0.257 4.427 4.170 0.000 0.000 0.288 194 I C -1.203 174.965 176.117 0.085 0.000 0.999 194 I CA -0.472 60.920 61.300 0.154 0.000 1.163 194 I CB 0.627 38.672 38.000 0.076 0.000 1.316 194 I HN 0.073 nan 8.210 nan 0.000 0.454 195 Y N 4.882 125.257 120.300 0.126 0.000 2.334 195 Y HA 0.403 4.953 4.550 0.000 0.000 0.336 195 Y C 0.454 176.410 175.900 0.092 0.000 0.960 195 Y CA -0.932 57.236 58.100 0.113 0.000 1.164 195 Y CB 0.870 39.442 38.460 0.185 0.000 1.155 195 Y HN 0.393 nan 8.280 nan 0.000 0.478 196 N N 2.411 121.176 118.700 0.109 0.000 2.564 196 N HA 0.388 5.128 4.740 0.000 0.000 0.248 196 N C 0.774 176.221 175.510 -0.104 0.000 0.986 196 N CA 0.399 53.447 53.050 -0.004 0.000 0.921 196 N CB 1.674 40.075 38.487 -0.143 0.000 1.136 196 N HN 0.973 nan 8.380 nan 0.000 0.509 197 G N 1.577 110.348 108.800 -0.048 0.000 2.213 197 G HA2 -0.212 3.748 3.960 0.000 0.000 0.226 197 G HA3 -0.212 3.748 3.960 0.000 0.000 0.226 197 G C 0.056 174.812 174.900 -0.241 0.000 0.992 197 G CA 0.187 45.187 45.100 -0.166 0.000 0.632 197 G HN 0.596 nan 8.290 nan 0.000 0.511 198 I N -0.400 120.069 120.570 -0.167 0.000 2.647 198 I HA 0.744 4.914 4.170 0.000 0.000 0.295 198 I C 0.394 176.453 176.117 -0.098 0.000 1.078 198 I CA -0.498 60.571 61.300 -0.385 0.000 1.048 198 I CB 1.916 39.477 38.000 -0.732 0.000 1.239 198 I HN 0.187 nan 8.210 nan 0.000 0.421 199 T N 0.677 115.108 114.554 -0.205 0.000 2.813 199 T HA 0.227 4.577 4.350 0.000 0.000 0.297 199 T C 0.097 174.565 174.700 -0.385 0.000 1.036 199 T CA -0.422 61.453 62.100 -0.375 0.000 1.044 199 T CB 0.961 69.725 68.868 -0.174 0.000 0.993 199 T HN 0.777 nan 8.240 nan 0.000 0.535 200 D N -0.037 119.862 120.400 -0.836 0.000 2.469 200 D HA 0.050 4.690 4.640 0.000 0.000 0.278 200 D C 1.052 177.305 176.300 -0.079 0.000 1.231 200 D CA -0.988 52.536 54.000 -0.793 0.000 1.075 200 D CB -0.176 40.031 40.800 -0.989 0.000 1.121 200 D HN 0.692 nan 8.370 nan 0.000 0.571 201 W N -0.113 121.180 121.300 -0.012 0.000 2.329 201 W HA -0.207 4.453 4.660 0.000 0.000 0.324 201 W C 2.251 178.689 176.519 -0.134 0.000 1.222 201 W CA 2.561 59.891 57.345 -0.025 0.000 1.270 201 W CB -0.664 28.707 29.460 -0.147 0.000 1.167 201 W HN 0.156 nan 8.180 nan 0.000 0.467 202 V N 0.086 120.075 119.914 0.124 0.000 2.594 202 V HA -0.299 3.821 4.120 0.000 0.000 0.253 202 V C 1.877 177.794 176.094 -0.295 0.000 1.069 202 V CA 2.087 64.309 62.300 -0.129 0.000 1.082 202 V CB -0.801 31.001 31.823 -0.035 0.000 0.680 202 V HN 0.354 nan 8.190 nan 0.000 0.469 203 Y N 1.073 121.174 120.300 -0.332 0.000 2.263 203 Y HA -0.156 4.394 4.550 0.000 0.000 0.292 203 Y C 2.562 178.338 175.900 -0.207 0.000 1.130 203 Y CA 2.113 60.019 58.100 -0.324 0.000 1.179 203 Y CB -0.035 38.083 38.460 -0.570 0.000 0.998 203 Y HN 0.581 nan 8.280 nan 0.000 0.532 204 E N 0.179 120.345 120.200 -0.057 0.000 2.047 204 E HA -0.260 4.090 4.350 0.000 0.000 0.191 204 E C 1.945 178.519 176.600 -0.043 0.000 0.987 204 E CA 1.552 57.967 56.400 0.025 0.000 0.799 204 E CB -0.270 29.493 29.700 0.106 0.000 0.752 204 E HN 0.401 nan 8.360 nan 0.000 0.449 205 E N 0.579 120.580 120.200 -0.330 0.000 2.072 205 E HA -0.150 4.200 4.350 0.000 0.000 0.190 205 E C 1.567 178.014 176.600 -0.255 0.000 0.982 205 E CA 1.483 57.653 56.400 -0.384 0.000 0.803 205 E CB 0.189 29.311 29.700 -0.964 0.000 0.755 205 E HN 0.313 nan 8.360 nan 0.000 0.453 206 E N -0.795 119.223 120.200 -0.303 0.000 2.511 206 E HA 0.127 4.477 4.350 0.000 0.000 0.209 206 E C 1.239 177.675 176.600 -0.273 0.000 0.986 206 E CA 0.143 56.418 56.400 -0.208 0.000 0.974 206 E CB 1.271 30.860 29.700 -0.184 0.000 1.030 206 E HN 0.176 nan 8.360 nan 0.000 0.490 207 V N -0.424 119.280 119.914 -0.349 0.000 3.430 207 V HA 0.052 4.172 4.120 0.000 0.000 0.211 207 V C 1.130 176.993 176.094 -0.385 0.000 1.173 207 V CA 0.403 62.401 62.300 -0.502 0.000 1.310 207 V CB -0.246 31.056 31.823 -0.869 0.000 1.361 207 V HN 0.009 nan 8.190 nan 0.000 0.512 208 F N 1.276 121.239 119.950 0.021 0.000 2.811 208 F HA 0.259 4.786 4.527 0.000 0.000 0.301 208 F C 1.707 177.501 175.800 -0.009 0.000 1.151 208 F CA 0.574 58.617 58.000 0.072 0.000 1.412 208 F CB -0.521 38.583 39.000 0.173 0.000 1.113 208 F HN 0.219 nan 8.300 nan 0.000 0.579 209 S N 0.496 116.235 115.700 0.065 0.000 3.427 209 S HA -0.061 4.409 4.470 0.000 0.000 0.373 209 S C -0.063 174.384 174.600 -0.255 0.000 0.973 209 S CA 0.280 58.469 58.200 -0.018 0.000 1.218 209 S CB -1.259 61.925 63.200 -0.026 0.000 0.912 209 S HN 0.772 nan 8.310 nan 0.000 0.483 210 A N 0.487 123.262 122.820 -0.075 0.000 2.586 210 A HA 0.614 4.934 4.320 0.000 0.000 0.291 210 A C -0.367 177.240 177.584 0.039 0.000 1.062 210 A CA -0.034 51.917 52.037 -0.142 0.000 0.666 210 A CB -0.110 18.797 19.000 -0.156 0.000 1.281 210 A HN 0.821 nan 8.150 nan 0.000 0.421 211 Y N 1.367 121.543 120.300 -0.206 0.000 2.262 211 Y HA 0.238 4.788 4.550 0.000 0.000 0.295 211 Y C 1.659 177.312 175.900 -0.412 0.000 1.121 211 Y CA 1.306 59.284 58.100 -0.204 0.000 1.144 211 Y CB -0.135 38.225 38.460 -0.166 0.000 1.043 211 Y HN 0.787 nan 8.280 nan 0.000 0.528 212 S N 0.845 116.046 115.700 -0.831 0.000 2.558 212 S HA 0.302 4.772 4.470 0.000 0.000 0.293 212 S C 0.155 174.269 174.600 -0.809 0.000 1.292 212 S CA 0.295 57.780 58.200 -1.192 0.000 1.063 212 S CB 0.085 62.295 63.200 -1.650 0.000 0.831 212 S HN 0.518 nan 8.310 nan 0.000 0.499 213 A N 4.703 127.063 122.820 -0.767 0.000 3.176 213 A HA 0.548 4.868 4.320 0.000 0.000 0.265 213 A C -0.962 176.083 177.584 -0.898 0.000 0.936 213 A CA -0.688 50.903 52.037 -0.743 0.000 1.033 213 A CB -0.357 18.560 19.000 -0.138 0.000 1.158 213 A HN 1.117 nan 8.150 nan 0.000 0.485 214 L N -4.400 115.980 121.223 -1.404 0.000 2.549 214 L HA 0.792 5.132 4.340 0.000 0.000 0.259 214 L C -1.516 174.895 176.870 -0.766 0.000 0.934 214 L CA -1.248 53.145 54.840 -0.745 0.000 0.865 214 L CB 0.746 42.618 42.059 -0.312 0.000 1.352 214 L HN 0.261 nan 8.230 nan 0.000 0.410 215 W N 1.687 123.073 121.300 0.144 0.000 2.554 215 W HA 0.384 5.045 4.660 0.000 0.000 0.324 215 W C -1.231 175.517 176.519 0.382 0.000 1.018 215 W CA -0.724 56.812 57.345 0.319 0.000 1.243 215 W CB 1.745 31.464 29.460 0.431 0.000 1.345 215 W HN 0.618 nan 8.180 nan 0.000 0.441 216 W N 2.536 124.016 121.300 0.300 0.000 2.218 216 W HA 0.215 4.875 4.660 0.000 0.000 0.326 216 W C 1.125 177.408 176.519 -0.393 0.000 1.276 216 W CA 0.177 57.542 57.345 0.033 0.000 1.210 216 W CB 1.114 30.593 29.460 0.032 0.000 1.143 216 W HN 0.176 nan 8.180 nan 0.000 0.563 217 S N 3.060 118.489 115.700 -0.453 0.000 2.603 217 S HA 0.227 4.697 4.470 0.000 0.000 0.268 217 S C -1.832 172.565 174.600 -0.337 0.000 1.317 217 S CA -1.083 56.409 58.200 -1.179 0.000 1.012 217 S CB 1.160 63.677 63.200 -1.138 0.000 0.926 217 S HN 0.300 nan 8.310 nan 0.000 0.539 218 P HA -0.236 nan 4.420 nan 0.000 0.222 218 P C 0.606 177.884 177.300 -0.036 0.000 1.159 218 P CA 2.091 65.173 63.100 -0.030 0.000 0.920 218 P CB -0.254 31.470 31.700 0.040 0.000 0.793 219 N N -2.425 116.247 118.700 -0.047 0.000 2.279 219 N HA 0.225 4.965 4.740 0.000 0.000 0.226 219 N C 0.883 176.318 175.510 -0.125 0.000 1.126 219 N CA 0.297 53.307 53.050 -0.066 0.000 0.846 219 N CB -0.786 37.680 38.487 -0.036 0.000 1.050 219 N HN 0.198 nan 8.380 nan 0.000 0.502 220 G N -0.863 107.856 108.800 -0.136 0.000 2.166 220 G HA2 -0.358 3.602 3.960 0.000 0.000 0.260 220 G HA3 -0.358 3.602 3.960 0.000 0.000 0.260 220 G C 0.895 175.836 174.900 0.069 0.000 0.986 220 G CA 0.993 45.959 45.100 -0.224 0.000 0.683 220 G HN 0.400 nan 8.290 nan 0.000 0.527 221 T N -0.554 113.993 114.554 -0.011 0.000 2.896 221 T HA 0.274 4.624 4.350 0.000 0.000 0.263 221 T C 0.662 175.191 174.700 -0.285 0.000 1.050 221 T CA 1.086 63.067 62.100 -0.200 0.000 1.140 221 T CB 0.008 68.631 68.868 -0.409 0.000 0.877 221 T HN 0.304 nan 8.240 nan 0.000 0.457 222 F N 0.452 120.453 119.950 0.085 0.000 2.508 222 F HA 0.635 5.163 4.527 0.000 0.000 0.325 222 F C -0.431 175.356 175.800 -0.021 0.000 1.090 222 F CA -1.650 56.389 58.000 0.065 0.000 0.945 222 F CB 1.486 40.576 39.000 0.150 0.000 1.156 222 F HN -0.149 nan 8.300 nan 0.000 0.463 223 L N 3.177 124.436 121.223 0.061 0.000 2.342 223 L HA 0.831 5.171 4.340 0.000 0.000 0.276 223 L C -0.600 176.296 176.870 0.044 0.000 0.997 223 L CA -0.416 54.241 54.840 -0.304 0.000 0.838 223 L CB 0.635 42.249 42.059 -0.741 0.000 1.224 223 L HN 0.671 nan 8.230 nan 0.000 0.416 224 A N 4.548 127.494 122.820 0.210 0.000 2.282 224 A HA 0.860 5.180 4.320 0.000 0.000 0.319 224 A C -1.379 176.384 177.584 0.299 0.000 1.121 224 A CA -0.218 51.898 52.037 0.131 0.000 0.836 224 A CB 0.767 19.916 19.000 0.249 0.000 1.146 224 A HN 0.915 nan 8.150 nan 0.000 0.494 225 Y N -2.749 117.500 120.300 -0.085 0.000 2.713 225 Y HA 0.728 5.278 4.550 0.000 0.000 0.335 225 Y C -0.457 175.529 175.900 0.142 0.000 1.222 225 Y CA -0.869 57.300 58.100 0.115 0.000 1.061 225 Y CB 0.604 39.005 38.460 -0.097 0.000 1.314 225 Y HN 1.049 nan 8.280 nan 0.000 0.453 226 A N 1.355 124.415 122.820 0.399 0.000 2.350 226 A HA 0.766 5.086 4.320 0.000 0.000 0.318 226 A C -1.364 176.223 177.584 0.006 0.000 1.132 226 A CA -0.878 51.245 52.037 0.143 0.000 0.811 226 A CB 1.991 20.984 19.000 -0.011 0.000 1.313 226 A HN 0.821 nan 8.150 nan 0.000 0.454 227 Q N 0.505 120.193 119.800 -0.186 0.000 2.321 227 Q HA 0.620 4.960 4.340 0.000 0.000 0.270 227 Q C -2.150 173.652 176.000 -0.330 0.000 1.032 227 Q CA -0.356 55.399 55.803 -0.080 0.000 0.784 227 Q CB 1.209 30.013 28.738 0.110 0.000 1.264 227 Q HN 0.586 nan 8.270 nan 0.000 0.448 228 F N 2.115 122.126 119.950 0.101 0.000 2.469 228 F HA 0.435 4.962 4.527 0.000 0.000 0.332 228 F C 0.311 176.206 175.800 0.160 0.000 1.103 228 F CA -0.857 57.161 58.000 0.030 0.000 0.979 228 F CB 1.601 40.486 39.000 -0.192 0.000 1.137 228 F HN 0.424 nan 8.300 nan 0.000 0.463 229 N N 2.190 121.074 118.700 0.308 0.000 2.511 229 N HA 0.200 4.940 4.740 0.000 0.000 0.249 229 N C -0.602 175.062 175.510 0.256 0.000 0.971 229 N CA -0.162 53.045 53.050 0.263 0.000 0.938 229 N CB 1.223 39.821 38.487 0.184 0.000 1.131 229 N HN 0.595 nan 8.380 nan 0.000 0.505 230 D N -0.135 120.445 120.400 0.299 0.000 2.369 230 D HA -0.044 4.597 4.640 0.000 0.000 0.211 230 D C 1.814 178.234 176.300 0.201 0.000 1.077 230 D CA 0.345 54.502 54.000 0.261 0.000 0.842 230 D CB 0.453 41.467 40.800 0.356 0.000 0.947 230 D HN 0.621 nan 8.370 nan 0.000 0.509 231 T N -0.340 114.318 114.554 0.175 0.000 2.602 231 T HA -0.353 3.997 4.350 0.000 0.000 0.264 231 T C 1.570 176.335 174.700 0.108 0.000 1.085 231 T CA 1.429 63.605 62.100 0.127 0.000 1.164 231 T CB -0.426 68.505 68.868 0.105 0.000 0.860 231 T HN 0.184 nan 8.240 nan 0.000 0.442 232 E N 0.588 120.851 120.200 0.105 0.000 2.437 232 E HA 0.264 4.614 4.350 0.000 0.000 0.189 232 E C -0.432 176.226 176.600 0.096 0.000 1.054 232 E CA -0.359 56.094 56.400 0.088 0.000 0.874 232 E CB 0.407 30.152 29.700 0.075 0.000 1.011 232 E HN 0.391 nan 8.360 nan 0.000 0.474 233 V N 3.333 123.318 119.914 0.119 0.000 2.432 233 V HA 0.126 4.246 4.120 0.000 0.000 0.271 233 V C -1.996 174.170 176.094 0.120 0.000 1.046 233 V CA -1.690 60.687 62.300 0.128 0.000 0.945 233 V CB 0.595 32.512 31.823 0.157 0.000 0.992 233 V HN 0.057 nan 8.190 nan 0.000 0.471 234 P HA 0.250 nan 4.420 nan 0.000 0.271 234 P C -0.883 176.478 177.300 0.103 0.000 1.233 234 P CA -0.197 62.959 63.100 0.093 0.000 0.789 234 P CB 0.481 32.233 31.700 0.087 0.000 0.951 235 L N 1.220 122.482 121.223 0.065 0.000 2.341 235 L HA 0.523 4.863 4.340 0.000 0.000 0.278 235 L C 0.078 176.933 176.870 -0.024 0.000 1.005 235 L CA -1.039 53.826 54.840 0.043 0.000 0.818 235 L CB 1.343 43.421 42.059 0.032 0.000 1.259 235 L HN 0.257 nan 8.230 nan 0.000 0.418 236 I N 2.177 122.689 120.570 -0.096 0.000 2.396 236 I HA 0.310 4.480 4.170 0.000 0.000 0.292 236 I C -0.388 175.634 176.117 -0.158 0.000 0.999 236 I CA 0.274 61.421 61.300 -0.255 0.000 1.310 236 I CB 0.998 38.580 38.000 -0.697 0.000 1.404 236 I HN 0.601 nan 8.210 nan 0.000 0.496 237 E N 7.073 127.199 120.200 -0.122 0.000 2.234 237 E HA 0.485 4.835 4.350 0.000 0.000 0.266 237 E C -1.800 174.804 176.600 0.007 0.000 0.877 237 E CA -0.584 55.767 56.400 -0.082 0.000 0.758 237 E CB 1.985 31.632 29.700 -0.088 0.000 1.170 237 E HN 0.558 nan 8.360 nan 0.000 0.415 238 Y N -1.466 118.749 120.300 -0.143 0.000 2.588 238 Y HA 0.617 5.167 4.550 0.000 0.000 0.343 238 Y C -0.551 175.278 175.900 -0.118 0.000 1.065 238 Y CA -1.309 56.714 58.100 -0.128 0.000 1.038 238 Y CB 0.926 39.321 38.460 -0.109 0.000 1.297 238 Y HN 0.195 nan 8.280 nan 0.000 0.467 239 S N 1.758 117.415 115.700 -0.071 0.000 2.586 239 S HA 0.547 5.017 4.470 0.000 0.000 0.274 239 S C -1.540 172.862 174.600 -0.330 0.000 1.281 239 S CA -0.401 57.619 58.200 -0.300 0.000 1.035 239 S CB 0.508 63.408 63.200 -0.500 0.000 0.962 239 S HN 0.537 nan 8.310 nan 0.000 0.512 240 F N 2.137 121.781 119.950 -0.510 0.000 2.539 240 F HA 0.423 4.950 4.527 0.000 0.000 0.328 240 F C -0.224 175.341 175.800 -0.392 0.000 1.148 240 F CA -1.024 56.777 58.000 -0.332 0.000 0.940 240 F CB 0.712 39.630 39.000 -0.137 0.000 1.194 240 F HN 0.666 nan 8.300 nan 0.000 0.438 241 Y N 2.686 122.770 120.300 -0.360 0.000 2.337 241 Y HA 0.056 4.607 4.550 0.000 0.000 0.293 241 Y C 1.828 177.616 175.900 -0.187 0.000 1.123 241 Y CA 1.274 59.234 58.100 -0.233 0.000 1.201 241 Y CB -0.669 37.648 38.460 -0.238 0.000 1.011 241 Y HN 0.726 nan 8.280 nan 0.000 0.545 242 S N -0.331 115.227 115.700 -0.237 0.000 3.443 242 S HA -0.293 4.177 4.470 0.000 0.000 0.635 242 S C -0.485 174.124 174.600 0.015 0.000 2.555 242 S CA 0.131 58.322 58.200 -0.015 0.000 2.778 242 S CB -1.326 61.980 63.200 0.176 0.000 0.331 242 S HN 0.522 nan 8.310 nan 0.000 1.765 243 D N 1.531 121.966 120.400 0.059 0.000 2.455 243 D HA 0.268 4.908 4.640 0.000 0.000 0.241 243 D C 1.391 177.707 176.300 0.027 0.000 1.138 243 D CA 0.880 54.904 54.000 0.040 0.000 0.877 243 D CB 0.493 41.322 40.800 0.048 0.000 1.187 243 D HN 0.576 nan 8.370 nan 0.000 0.451 244 E N 1.651 121.857 120.200 0.011 0.000 2.236 244 E HA -0.361 3.989 4.350 0.000 0.000 0.205 244 E C 1.446 178.050 176.600 0.007 0.000 1.028 244 E CA 1.831 58.231 56.400 0.000 0.000 0.827 244 E CB 0.038 29.734 29.700 -0.007 0.000 0.735 244 E HN 0.513 nan 8.360 nan 0.000 0.470 245 S N 0.475 116.185 115.700 0.016 0.000 2.399 245 S HA -0.143 4.327 4.470 0.000 0.000 0.231 245 S C 1.269 175.887 174.600 0.030 0.000 1.022 245 S CA 0.425 58.636 58.200 0.020 0.000 0.983 245 S CB -0.493 62.721 63.200 0.024 0.000 0.803 245 S HN 0.362 nan 8.310 nan 0.000 0.480 246 L N 2.360 123.608 121.223 0.041 0.000 2.562 246 L HA 0.045 4.385 4.340 0.000 0.000 0.271 246 L C 1.709 178.609 176.870 0.050 0.000 1.167 246 L CA 0.111 54.987 54.840 0.060 0.000 0.917 246 L CB 0.668 42.772 42.059 0.075 0.000 1.187 246 L HN 0.451 nan 8.230 nan 0.000 0.482 247 Q N 3.905 123.749 119.800 0.073 0.000 2.123 247 Q HA -0.084 4.256 4.340 0.000 0.000 0.199 247 Q C -0.645 175.309 176.000 -0.076 0.000 0.966 247 Q CA 1.227 57.042 55.803 0.021 0.000 0.845 247 Q CB 0.255 29.055 28.738 0.103 0.000 0.907 247 Q HN 0.594 nan 8.270 nan 0.000 0.439 248 Y N 0.322 120.628 120.300 0.010 0.000 2.364 248 Y HA 0.391 4.941 4.550 0.000 0.000 0.340 248 Y C -2.090 173.811 175.900 0.003 0.000 0.975 248 Y CA -2.973 55.130 58.100 0.005 0.000 1.089 248 Y CB 1.416 39.871 38.460 -0.007 0.000 1.192 248 Y HN 0.101 nan 8.280 nan 0.000 0.454 249 P HA 0.023 nan 4.420 nan 0.000 0.267 249 P C -0.684 176.616 177.300 -0.001 0.000 1.200 249 P CA -0.284 62.824 63.100 0.014 0.000 0.772 249 P CB 0.724 32.392 31.700 -0.053 0.000 0.855 250 K N 0.908 121.285 120.400 -0.037 0.000 2.095 250 K HA 0.458 4.778 4.320 0.000 0.000 0.252 250 K C -0.722 175.822 176.600 -0.094 0.000 0.977 250 K CA -0.452 55.821 56.287 -0.023 0.000 0.900 250 K CB 0.708 33.228 32.500 0.033 0.000 1.060 250 K HN 0.326 nan 8.250 nan 0.000 0.449 251 T N 2.164 116.652 114.554 -0.109 0.000 2.791 251 T HA 0.264 4.614 4.350 0.000 0.000 0.288 251 T C -0.762 173.804 174.700 -0.224 0.000 0.999 251 T CA -0.683 61.315 62.100 -0.169 0.000 0.952 251 T CB 1.146 69.938 68.868 -0.126 0.000 0.938 251 T HN 0.244 nan 8.240 nan 0.000 0.444 252 V N 5.120 124.794 119.914 -0.401 0.000 2.498 252 V HA 0.435 4.555 4.120 0.000 0.000 0.279 252 V C 0.418 176.279 176.094 -0.389 0.000 1.048 252 V CA -0.555 61.464 62.300 -0.468 0.000 0.967 252 V CB 0.783 32.095 31.823 -0.851 0.000 0.988 252 V HN 0.706 nan 8.190 nan 0.000 0.473 253 R N 3.648 124.043 120.500 -0.174 0.000 2.451 253 R HA 0.678 5.018 4.340 0.000 0.000 0.307 253 R C -1.627 174.693 176.300 0.035 0.000 0.965 253 R CA -0.572 55.481 56.100 -0.079 0.000 0.865 253 R CB 2.136 32.406 30.300 -0.049 0.000 1.174 253 R HN 0.520 nan 8.270 nan 0.000 0.455 254 V N 3.769 123.720 119.914 0.060 0.000 2.540 254 V HA 0.340 4.461 4.120 0.000 0.000 0.302 254 V C -2.337 173.850 176.094 0.155 0.000 1.035 254 V CA -2.588 59.810 62.300 0.163 0.000 0.873 254 V CB 2.120 34.019 31.823 0.126 0.000 0.992 254 V HN 0.581 nan 8.190 nan 0.000 0.428 255 P HA 0.153 nan 4.420 nan 0.000 0.269 255 P C -1.340 176.104 177.300 0.240 0.000 1.263 255 P CA 0.353 63.590 63.100 0.227 0.000 0.813 255 P CB -0.283 31.591 31.700 0.290 0.000 0.868 256 Y N 6.911 127.221 120.300 0.016 0.000 2.333 256 Y HA 0.403 4.953 4.550 0.000 0.000 0.324 256 Y C -2.694 173.210 175.900 0.007 0.000 1.033 256 Y CA -3.187 54.880 58.100 -0.054 0.000 1.224 256 Y CB 1.635 39.935 38.460 -0.266 0.000 1.120 256 Y HN 0.270 nan 8.280 nan 0.000 0.457 257 P HA 0.237 nan 4.420 nan 0.000 0.282 257 P C -1.161 176.220 177.300 0.135 0.000 1.274 257 P CA -0.192 62.981 63.100 0.122 0.000 0.770 257 P CB 1.496 33.243 31.700 0.079 0.000 0.867 258 K N 2.003 122.540 120.400 0.228 0.000 2.098 258 K HA 0.550 4.870 4.320 0.000 0.000 0.258 258 K C 0.245 176.939 176.600 0.156 0.000 0.973 258 K CA -0.891 55.543 56.287 0.245 0.000 0.898 258 K CB 1.199 33.859 32.500 0.268 0.000 1.057 258 K HN 0.480 nan 8.250 nan 0.000 0.447 259 A N 1.149 124.073 122.820 0.174 0.000 2.602 259 A HA 0.113 4.433 4.320 0.000 0.000 0.257 259 A C 1.264 178.868 177.584 0.034 0.000 0.973 259 A CA 1.366 53.485 52.037 0.136 0.000 0.862 259 A CB -1.307 17.821 19.000 0.213 0.000 0.855 259 A HN 0.998 nan 8.150 nan 0.000 0.492 260 G N 0.873 109.693 108.800 0.034 0.000 2.189 260 G HA2 0.108 4.068 3.960 0.000 0.000 0.267 260 G HA3 0.108 4.068 3.960 0.000 0.000 0.267 260 G C 0.650 175.563 174.900 0.021 0.000 0.975 260 G CA 1.007 46.107 45.100 0.000 0.000 0.644 260 G HN 2.326 nan 8.290 nan 0.000 0.537 261 A N -0.583 122.268 122.820 0.051 0.000 2.257 261 A HA 0.769 5.089 4.320 0.000 0.000 0.289 261 A C 0.786 178.409 177.584 0.065 0.000 1.095 261 A CA 0.153 52.227 52.037 0.061 0.000 0.836 261 A CB 0.963 20.016 19.000 0.088 0.000 1.111 261 A HN 1.128 nan 8.150 nan 0.000 0.497 262 V N 2.315 122.269 119.914 0.066 0.000 2.493 262 V HA -0.037 4.083 4.120 0.000 0.000 0.292 262 V C 0.700 176.847 176.094 0.089 0.000 1.016 262 V CA 0.504 62.844 62.300 0.067 0.000 1.097 262 V CB -0.715 31.148 31.823 0.067 0.000 0.947 262 V HN 0.877 nan 8.190 nan 0.000 0.479 263 N N 6.408 125.160 118.700 0.085 0.000 2.463 263 N HA 0.431 5.171 4.740 0.000 0.000 0.270 263 N C -2.432 173.166 175.510 0.146 0.000 1.205 263 N CA -1.281 51.843 53.050 0.124 0.000 0.974 263 N CB 1.185 39.740 38.487 0.113 0.000 1.197 263 N HN 0.459 nan 8.380 nan 0.000 0.504 264 P HA 0.081 nan 4.420 nan 0.000 0.278 264 P C -0.783 176.669 177.300 0.254 0.000 1.238 264 P CA -0.210 63.038 63.100 0.247 0.000 0.794 264 P CB 0.962 32.839 31.700 0.293 0.000 0.955 265 T N -1.084 113.590 114.554 0.200 0.000 2.936 265 T HA 0.622 4.972 4.350 0.000 0.000 0.282 265 T C -0.201 174.584 174.700 0.142 0.000 1.003 265 T CA -0.822 61.355 62.100 0.128 0.000 1.005 265 T CB 1.431 70.351 68.868 0.086 0.000 1.097 265 T HN 0.352 nan 8.240 nan 0.000 0.532 266 V N 0.114 120.081 119.914 0.087 0.000 3.087 266 V HA 0.793 4.913 4.120 0.000 0.000 0.306 266 V C -1.841 174.329 176.094 0.126 0.000 1.187 266 V CA -0.892 61.415 62.300 0.010 0.000 0.999 266 V CB 2.459 34.240 31.823 -0.070 0.000 1.049 266 V HN 1.025 nan 8.190 nan 0.000 0.431 267 K N 3.597 124.060 120.400 0.104 0.000 2.426 267 K HA 0.675 4.995 4.320 0.000 0.000 0.251 267 K C -1.668 175.054 176.600 0.202 0.000 0.941 267 K CA -0.197 56.205 56.287 0.191 0.000 0.808 267 K CB 2.094 34.838 32.500 0.406 0.000 1.265 267 K HN 0.542 nan 8.250 nan 0.000 0.432 268 F N 3.039 122.844 119.950 -0.242 0.000 2.495 268 F HA 0.668 5.195 4.527 0.000 0.000 0.327 268 F C -1.341 174.046 175.800 -0.689 0.000 1.103 268 F CA -0.858 56.966 58.000 -0.293 0.000 0.949 268 F CB 0.728 39.591 39.000 -0.229 0.000 1.142 268 F HN 0.421 nan 8.300 nan 0.000 0.457 269 F N 3.015 122.228 119.950 -1.229 0.000 2.675 269 F HA 0.797 5.324 4.527 0.000 0.000 0.324 269 F C -1.014 174.109 175.800 -1.129 0.000 1.106 269 F CA -1.325 56.071 58.000 -1.007 0.000 0.970 269 F CB 1.827 40.264 39.000 -0.938 0.000 1.385 269 F HN 0.143 nan 8.300 nan 0.000 0.489 270 V N 1.737 121.408 119.914 -0.405 0.000 2.711 270 V HA 0.534 4.654 4.120 0.000 0.000 0.304 270 V C -1.473 174.696 176.094 0.124 0.000 1.097 270 V CA -0.746 61.402 62.300 -0.253 0.000 0.906 270 V CB 1.988 33.451 31.823 -0.600 0.000 1.015 270 V HN 0.620 nan 8.190 nan 0.000 0.427 271 V N 5.078 125.121 119.914 0.214 0.000 2.495 271 V HA 0.522 4.642 4.120 0.000 0.000 0.298 271 V C 0.029 176.278 176.094 0.259 0.000 1.031 271 V CA -0.519 61.924 62.300 0.238 0.000 0.871 271 V CB 1.814 33.733 31.823 0.159 0.000 0.988 271 V HN 1.004 nan 8.190 nan 0.000 0.432 272 N N 3.642 122.489 118.700 0.244 0.000 2.401 272 N HA 0.133 4.873 4.740 0.000 0.000 0.255 272 N C 0.308 175.791 175.510 -0.044 0.000 1.110 272 N CA 0.021 53.100 53.050 0.049 0.000 0.949 272 N CB 0.798 39.283 38.487 -0.003 0.000 1.110 272 N HN 0.849 nan 8.380 nan 0.000 0.490 273 T N 0.775 115.293 114.554 -0.060 0.000 4.313 273 T HA 0.205 4.555 4.350 0.000 0.000 0.272 273 T C -0.316 174.343 174.700 -0.068 0.000 1.298 273 T CA -0.393 61.691 62.100 -0.027 0.000 1.124 273 T CB 0.146 69.100 68.868 0.143 0.000 1.352 273 T HN 0.530 nan 8.240 nan 0.000 1.013 274 D N -0.195 120.136 120.400 -0.115 0.000 2.148 274 D HA 0.037 4.677 4.640 0.000 0.000 0.577 274 D C 1.054 177.291 176.300 -0.105 0.000 0.879 274 D CA -0.160 53.772 54.000 -0.113 0.000 1.108 274 D CB -0.126 40.598 40.800 -0.127 0.000 1.442 274 D HN 0.458 nan 8.370 nan 0.000 0.437 275 S N 0.902 116.544 115.700 -0.096 0.000 2.577 275 S HA 0.191 4.661 4.470 0.000 0.000 0.219 275 S C 0.969 175.512 174.600 -0.093 0.000 0.962 275 S CA -0.313 57.849 58.200 -0.062 0.000 0.921 275 S CB 0.156 63.348 63.200 -0.012 0.000 0.789 275 S HN 0.294 nan 8.310 nan 0.000 0.497 276 L N 1.402 122.510 121.223 -0.191 0.000 2.290 276 L HA 0.694 5.034 4.340 0.000 0.000 0.284 276 L C 0.034 176.673 176.870 -0.385 0.000 1.078 276 L CA -0.472 54.170 54.840 -0.329 0.000 0.815 276 L CB 0.826 42.549 42.059 -0.561 0.000 1.162 276 L HN 0.074 nan 8.230 nan 0.000 0.435 277 S N 1.415 117.020 115.700 -0.160 0.000 2.759 277 S HA 0.306 4.776 4.470 0.000 0.000 0.310 277 S C 0.693 175.493 174.600 0.334 0.000 1.123 277 S CA -0.136 58.087 58.200 0.039 0.000 0.959 277 S CB 1.564 64.794 63.200 0.050 0.000 1.172 277 S HN 0.658 nan 8.310 nan 0.000 0.539 278 S N -0.843 115.043 115.700 0.308 0.000 2.561 278 S HA 0.082 4.553 4.470 0.000 0.000 0.225 278 S C 0.965 175.665 174.600 0.167 0.000 0.977 278 S CA 0.641 58.997 58.200 0.260 0.000 0.926 278 S CB -0.725 62.561 63.200 0.144 0.000 0.769 278 S HN 0.537 nan 8.310 nan 0.000 0.533 279 V N 0.375 120.373 119.914 0.139 0.000 2.870 279 V HA 0.156 4.277 4.120 0.000 0.000 0.232 279 V C 1.203 177.346 176.094 0.082 0.000 1.161 279 V CA 0.843 63.197 62.300 0.090 0.000 1.204 279 V CB -0.693 31.165 31.823 0.058 0.000 1.003 279 V HN 0.615 nan 8.190 nan 0.000 0.499 280 T N 0.445 115.041 114.554 0.069 0.000 2.940 280 T HA 0.054 4.404 4.350 0.000 0.000 0.309 280 T C 0.154 174.899 174.700 0.076 0.000 1.056 280 T CA -0.141 61.989 62.100 0.050 0.000 1.137 280 T CB 0.068 68.955 68.868 0.033 0.000 0.976 280 T HN 0.332 nan 8.240 nan 0.000 0.547 281 N N 2.312 121.047 118.700 0.058 0.000 3.298 281 N HA 0.338 5.078 4.740 0.000 0.000 0.292 281 N C 0.442 176.007 175.510 0.091 0.000 1.271 281 N CA 0.091 53.202 53.050 0.102 0.000 1.184 281 N CB 0.003 38.507 38.487 0.029 0.000 1.452 281 N HN 1.049 nan 8.380 nan 0.000 0.534 282 A N 1.054 123.912 122.820 0.063 0.000 1.855 282 A HA -0.182 4.138 4.320 0.000 0.000 0.341 282 A C 0.465 178.096 177.584 0.077 0.000 0.728 282 A CA 0.591 52.653 52.037 0.042 0.000 1.537 282 A CB -0.843 18.162 19.000 0.009 0.000 0.612 282 A HN 0.398 nan 8.150 nan 0.000 0.202 283 T N 4.147 118.752 114.554 0.086 0.000 2.752 283 T HA 0.371 4.721 4.350 0.000 0.000 0.295 283 T C 0.585 175.380 174.700 0.158 0.000 0.923 283 T CA 0.255 62.422 62.100 0.111 0.000 1.112 283 T CB 0.541 69.472 68.868 0.105 0.000 0.884 283 T HN 0.678 nan 8.240 nan 0.000 0.525 284 S N 3.191 118.998 115.700 0.178 0.000 2.475 284 S HA 0.398 4.868 4.470 0.000 0.000 0.281 284 S C 0.212 174.984 174.600 0.287 0.000 1.198 284 S CA -0.700 57.644 58.200 0.239 0.000 1.063 284 S CB 0.156 63.506 63.200 0.249 0.000 0.972 284 S HN 0.452 nan 8.310 nan 0.000 0.486 285 I N 3.270 123.996 120.570 0.260 0.000 2.342 285 I HA 0.263 4.433 4.170 0.000 0.000 0.291 285 I C 0.474 176.615 176.117 0.041 0.000 1.010 285 I CA -0.070 61.361 61.300 0.218 0.000 1.308 285 I CB 1.099 39.311 38.000 0.354 0.000 1.400 285 I HN 0.588 nan 8.210 nan 0.000 0.488 286 Q N 6.324 126.060 119.800 -0.107 0.000 2.260 286 Q HA 0.593 4.933 4.340 0.000 0.000 0.242 286 Q C -1.117 174.705 176.000 -0.297 0.000 0.932 286 Q CA -0.410 55.054 55.803 -0.564 0.000 0.891 286 Q CB 1.183 29.451 28.738 -0.785 0.000 1.222 286 Q HN 0.617 nan 8.270 nan 0.000 0.453 287 I N 4.163 124.552 120.570 -0.301 0.000 2.495 287 I HA 0.186 4.356 4.170 0.000 0.000 0.277 287 I C 0.419 176.512 176.117 -0.040 0.000 1.045 287 I CA -0.571 60.689 61.300 -0.066 0.000 1.135 287 I CB 1.292 39.337 38.000 0.075 0.000 1.241 287 I HN 0.845 nan 8.210 nan 0.000 0.469 288 T N 2.856 117.345 114.554 -0.108 0.000 3.225 288 T HA 0.696 5.046 4.350 0.000 0.000 0.347 288 T C 1.085 175.608 174.700 -0.294 0.000 1.254 288 T CA 0.299 62.298 62.100 -0.169 0.000 0.950 288 T CB 0.600 69.371 68.868 -0.161 0.000 1.873 288 T HN 0.782 nan 8.240 nan 0.000 0.563 289 A N 0.842 123.430 122.820 -0.387 0.000 6.115 289 A HA -0.074 4.246 4.320 0.000 0.000 0.360 289 A C -2.304 174.718 177.584 -0.938 0.000 1.861 289 A CA 0.371 52.096 52.037 -0.519 0.000 1.013 289 A CB -2.774 16.035 19.000 -0.319 0.000 1.278 289 A HN 0.855 nan 8.150 nan 0.000 0.460 290 P HA 0.395 nan 4.420 nan 0.000 0.270 290 P C 0.858 177.932 177.300 -0.376 0.000 1.223 290 P CA 0.701 63.555 63.100 -0.411 0.000 0.785 290 P CB 0.516 32.047 31.700 -0.280 0.000 0.923 291 A N 1.894 124.568 122.820 -0.244 0.000 2.019 291 A HA -0.162 4.158 4.320 0.000 0.000 0.219 291 A C 1.954 179.423 177.584 -0.192 0.000 1.164 291 A CA 2.085 53.999 52.037 -0.205 0.000 0.644 291 A CB -1.599 17.318 19.000 -0.139 0.000 0.805 291 A HN 0.602 nan 8.150 nan 0.000 0.449 292 S N -2.109 113.495 115.700 -0.159 0.000 2.515 292 S HA 0.024 4.494 4.470 0.000 0.000 0.231 292 S C 1.550 176.061 174.600 -0.148 0.000 0.987 292 S CA 1.429 59.563 58.200 -0.110 0.000 0.936 292 S CB -0.149 63.061 63.200 0.017 0.000 0.766 292 S HN 0.388 nan 8.310 nan 0.000 0.528 293 M N 0.748 120.181 119.600 -0.278 0.000 2.730 293 M HA 0.486 4.966 4.480 0.000 0.000 0.258 293 M C 1.536 177.482 176.300 -0.590 0.000 1.279 293 M CA 0.806 55.852 55.300 -0.424 0.000 1.183 293 M CB -0.201 32.011 32.600 -0.646 0.000 1.291 293 M HN 0.217 nan 8.290 nan 0.000 0.518 294 L N 0.578 121.485 121.223 -0.526 0.000 2.275 294 L HA -0.111 4.229 4.340 0.000 0.000 0.215 294 L C 2.063 178.832 176.870 -0.169 0.000 1.119 294 L CA 0.765 55.393 54.840 -0.353 0.000 0.790 294 L CB -1.119 40.774 42.059 -0.276 0.000 0.919 294 L HN 0.406 nan 8.230 nan 0.000 0.443 295 I N -2.100 118.374 120.570 -0.161 0.000 2.800 295 I HA 0.018 4.188 4.170 0.000 0.000 0.266 295 I C 1.023 177.103 176.117 -0.062 0.000 1.249 295 I CA 0.878 62.117 61.300 -0.102 0.000 1.458 295 I CB -0.629 37.305 38.000 -0.111 0.000 1.093 295 I HN 0.173 nan 8.210 nan 0.000 0.466 296 G N 0.019 108.798 108.800 -0.035 0.000 2.341 296 G HA2 0.121 4.081 3.960 0.000 0.000 0.299 296 G HA3 0.121 4.081 3.960 0.000 0.000 0.299 296 G C -1.866 173.110 174.900 0.126 0.000 1.274 296 G CA -0.694 44.418 45.100 0.021 0.000 0.853 296 G HN 0.059 nan 8.290 nan 0.000 0.493 297 D N 1.745 122.172 120.400 0.045 0.000 2.520 297 D HA 0.404 5.044 4.640 0.000 0.000 0.243 297 D C 0.567 176.839 176.300 -0.047 0.000 1.160 297 D CA 1.076 55.056 54.000 -0.034 0.000 0.877 297 D CB 0.101 40.840 40.800 -0.102 0.000 1.150 297 D HN 0.572 nan 8.370 nan 0.000 0.494 298 H N 0.165 119.099 119.070 -0.227 0.000 2.966 298 H HA 0.491 5.047 4.556 0.000 0.000 0.330 298 H C -1.254 173.953 175.328 -0.201 0.000 1.292 298 H CA -0.832 55.089 56.048 -0.211 0.000 1.127 298 H CB 0.325 30.101 29.762 0.024 0.000 1.863 298 H HN 0.287 nan 8.280 nan 0.000 0.543 299 Y N -0.252 120.247 120.300 0.331 0.000 2.605 299 Y HA 0.446 4.996 4.550 0.000 0.000 0.343 299 Y C -0.474 175.656 175.900 0.384 0.000 1.036 299 Y CA -1.207 57.084 58.100 0.317 0.000 1.065 299 Y CB 1.833 40.319 38.460 0.043 0.000 1.288 299 Y HN 0.474 nan 8.280 nan 0.000 0.481 300 L N 2.312 123.818 121.223 0.472 0.000 2.275 300 L HA 0.479 4.819 4.340 0.000 0.000 0.288 300 L C 0.269 177.136 176.870 -0.005 0.000 1.046 300 L CA -0.420 54.331 54.840 -0.149 0.000 0.805 300 L CB 0.763 42.713 42.059 -0.182 0.000 1.193 300 L HN 0.983 nan 8.230 nan 0.000 0.426 301 C N 1.092 120.261 119.300 -0.218 0.000 3.491 301 C HA 0.560 5.020 4.460 0.000 0.000 0.298 301 C C 0.059 174.946 174.990 -0.172 0.000 1.424 301 C CA -0.404 58.428 59.018 -0.310 0.000 1.772 301 C CB -0.714 26.906 27.740 -0.201 0.000 2.447 301 C HN 0.846 nan 8.230 nan 0.000 0.670 302 D N 0.228 120.577 120.400 -0.085 0.000 2.745 302 D HA 0.422 5.062 4.640 0.000 0.000 0.221 302 D C -1.838 174.223 176.300 -0.399 0.000 1.237 302 D CA 0.118 54.089 54.000 -0.048 0.000 0.781 302 D CB 2.572 43.311 40.800 -0.100 0.000 1.575 302 D HN 0.072 nan 8.370 nan 0.000 0.482 303 V N 1.998 121.604 119.914 -0.513 0.000 2.525 303 V HA 0.622 4.742 4.120 0.000 0.000 0.299 303 V C -0.394 175.374 176.094 -0.544 0.000 1.034 303 V CA -0.494 61.226 62.300 -0.967 0.000 0.863 303 V CB 1.881 32.379 31.823 -2.209 0.000 0.999 303 V HN 0.647 nan 8.190 nan 0.000 0.423 304 T N 3.498 117.799 114.554 -0.422 0.000 3.050 304 T HA 0.332 4.682 4.350 0.000 0.000 0.310 304 T C -0.913 173.676 174.700 -0.185 0.000 0.978 304 T CA -0.404 61.612 62.100 -0.139 0.000 1.013 304 T CB 0.669 69.531 68.868 -0.012 0.000 1.000 304 T HN 0.545 nan 8.240 nan 0.000 0.447 305 W N 2.224 123.488 121.300 -0.059 0.000 2.216 305 W HA 0.488 5.148 4.660 0.000 0.000 0.326 305 W C 1.172 177.587 176.519 -0.173 0.000 1.319 305 W CA -0.305 56.992 57.345 -0.080 0.000 1.213 305 W CB 0.606 30.099 29.460 0.056 0.000 1.171 305 W HN 0.830 nan 8.180 nan 0.000 0.557 306 A N 2.108 124.835 122.820 -0.155 0.000 1.901 306 A HA 0.188 4.508 4.320 0.000 0.000 0.210 306 A C 0.907 178.486 177.584 -0.008 0.000 1.208 306 A CA 1.606 53.357 52.037 -0.476 0.000 0.644 306 A CB -0.433 17.894 19.000 -1.121 0.000 0.863 306 A HN 0.536 nan 8.150 nan 0.000 0.454 307 T N -4.867 109.773 114.554 0.144 0.000 2.654 307 T HA 0.432 4.782 4.350 0.000 0.000 0.289 307 T C 0.086 174.980 174.700 0.323 0.000 1.062 307 T CA -0.302 61.925 62.100 0.210 0.000 1.041 307 T CB 1.105 70.077 68.868 0.173 0.000 1.417 307 T HN -0.013 nan 8.240 nan 0.000 0.510 308 Q N -0.131 119.823 119.800 0.257 0.000 2.515 308 Q HA 0.183 4.523 4.340 0.000 0.000 0.212 308 Q C 0.931 177.205 176.000 0.456 0.000 0.970 308 Q CA 0.971 56.942 55.803 0.281 0.000 0.941 308 Q CB 0.059 28.912 28.738 0.191 0.000 0.998 308 Q HN 0.690 nan 8.270 nan 0.000 0.518 309 E N -0.913 119.540 120.200 0.422 0.000 2.743 309 E HA 0.157 4.507 4.350 0.000 0.000 0.222 309 E C -0.504 176.327 176.600 0.384 0.000 0.959 309 E CA -0.147 56.475 56.400 0.370 0.000 1.198 309 E CB 0.953 30.804 29.700 0.251 0.000 1.100 309 E HN -0.086 nan 8.360 nan 0.000 0.518 310 R N 1.634 122.396 120.500 0.437 0.000 2.502 310 R HA 0.527 4.867 4.340 0.000 0.000 0.300 310 R C -1.743 174.599 176.300 0.071 0.000 0.984 310 R CA -0.388 55.868 56.100 0.260 0.000 0.882 310 R CB 1.240 31.595 30.300 0.092 0.000 1.180 310 R HN 0.027 nan 8.270 nan 0.000 0.444 311 I N 3.318 123.768 120.570 -0.201 0.000 2.608 311 I HA 0.494 4.664 4.170 0.000 0.000 0.295 311 I C -0.949 174.860 176.117 -0.512 0.000 1.049 311 I CA -0.515 60.369 61.300 -0.693 0.000 1.063 311 I CB 2.163 39.248 38.000 -1.524 0.000 1.248 311 I HN 0.887 nan 8.210 nan 0.000 0.424 312 S N 7.273 122.654 115.700 -0.530 0.000 2.549 312 S HA 0.856 5.326 4.470 0.000 0.000 0.297 312 S C -1.053 173.253 174.600 -0.490 0.000 1.115 312 S CA -0.674 57.302 58.200 -0.373 0.000 1.059 312 S CB 1.805 64.883 63.200 -0.203 0.000 1.046 312 S HN 0.404 nan 8.310 nan 0.000 0.506 313 L N 1.358 122.319 121.223 -0.436 0.000 2.455 313 L HA 0.560 4.900 4.340 0.000 0.000 0.264 313 L C -0.398 176.203 176.870 -0.448 0.000 0.968 313 L CA -0.524 53.945 54.840 -0.618 0.000 0.827 313 L CB 1.724 43.289 42.059 -0.824 0.000 1.317 313 L HN 0.764 nan 8.230 nan 0.000 0.407 314 Q N 1.161 120.656 119.800 -0.508 0.000 2.333 314 Q HA 0.564 4.904 4.340 0.000 0.000 0.267 314 Q C -1.674 174.083 176.000 -0.404 0.000 1.012 314 Q CA -0.491 55.131 55.803 -0.302 0.000 0.824 314 Q CB 2.338 30.960 28.738 -0.194 0.000 1.290 314 Q HN 0.558 nan 8.270 nan 0.000 0.449 315 W N 2.387 123.656 121.300 -0.050 0.000 2.627 315 W HA 0.589 5.249 4.660 0.000 0.000 0.339 315 W C -0.847 175.715 176.519 0.072 0.000 1.058 315 W CA -0.632 56.731 57.345 0.030 0.000 1.223 315 W CB 1.099 30.567 29.460 0.014 0.000 1.389 315 W HN 0.374 nan 8.180 nan 0.000 0.541 316 L N 3.045 124.510 121.223 0.403 0.000 2.381 316 L HA 0.549 4.889 4.340 0.000 0.000 0.274 316 L C -0.153 176.933 176.870 0.361 0.000 0.988 316 L CA -1.116 53.920 54.840 0.327 0.000 0.824 316 L CB 1.219 43.435 42.059 0.262 0.000 1.263 316 L HN 0.391 nan 8.230 nan 0.000 0.410 317 R N 2.419 123.090 120.500 0.284 0.000 2.594 317 R HA 0.200 4.540 4.340 0.000 0.000 0.272 317 R C 1.079 177.455 176.300 0.126 0.000 1.074 317 R CA -0.071 56.139 56.100 0.184 0.000 1.105 317 R CB 0.714 31.102 30.300 0.147 0.000 1.008 317 R HN 0.658 nan 8.270 nan 0.000 0.472 318 R N 1.916 122.400 120.500 -0.026 0.000 2.113 318 R HA -0.130 4.210 4.340 0.000 0.000 0.244 318 R C 0.467 176.831 176.300 0.107 0.000 1.142 318 R CA 1.412 57.492 56.100 -0.032 0.000 0.953 318 R CB 0.013 30.259 30.300 -0.090 0.000 0.860 318 R HN 0.420 nan 8.270 nan 0.000 0.438 319 I N 2.881 123.492 120.570 0.068 0.000 2.389 319 I HA -0.025 4.145 4.170 0.000 0.000 0.295 319 I C 0.100 176.279 176.117 0.104 0.000 1.117 319 I CA 0.577 61.917 61.300 0.067 0.000 1.317 319 I CB 0.761 38.783 38.000 0.037 0.000 1.431 319 I HN 0.377 nan 8.210 nan 0.000 0.521 320 Q N 5.198 125.060 119.800 0.102 0.000 2.336 320 Q HA -0.027 4.313 4.340 0.000 0.000 0.231 320 Q C 0.811 176.883 176.000 0.121 0.000 0.900 320 Q CA 0.104 55.978 55.803 0.117 0.000 0.966 320 Q CB -0.479 28.293 28.738 0.057 0.000 1.219 320 Q HN 0.700 nan 8.270 nan 0.000 0.412 321 N N -1.424 117.352 118.700 0.126 0.000 2.197 321 N HA 0.026 4.766 4.740 0.000 0.000 0.228 321 N C -0.890 174.723 175.510 0.172 0.000 1.212 321 N CA -0.332 52.779 53.050 0.102 0.000 0.883 321 N CB 0.601 39.123 38.487 0.058 0.000 1.107 321 N HN 0.121 nan 8.380 nan 0.000 0.519 322 Y N 1.241 121.565 120.300 0.040 0.000 2.361 322 Y HA 0.416 4.966 4.550 0.000 0.000 0.328 322 Y C -1.471 174.468 175.900 0.066 0.000 1.044 322 Y CA -0.811 57.314 58.100 0.041 0.000 1.085 322 Y CB 2.058 40.535 38.460 0.028 0.000 1.194 322 Y HN 0.020 nan 8.280 nan 0.000 0.438 323 S N 4.908 120.515 115.700 -0.156 0.000 2.536 323 S HA 0.853 5.323 4.470 0.000 0.000 0.287 323 S C -2.084 172.424 174.600 -0.154 0.000 1.101 323 S CA -0.489 57.679 58.200 -0.052 0.000 0.950 323 S CB 1.320 64.515 63.200 -0.008 0.000 1.056 323 S HN 0.468 nan 8.310 nan 0.000 0.481 324 V N 5.757 125.677 119.914 0.010 0.000 2.487 324 V HA 0.528 4.648 4.120 0.000 0.000 0.298 324 V C -0.122 176.032 176.094 0.100 0.000 1.028 324 V CA -0.652 61.660 62.300 0.019 0.000 0.860 324 V CB 1.665 33.522 31.823 0.057 0.000 0.991 324 V HN 0.970 nan 8.190 nan 0.000 0.427 325 M N 4.110 123.735 119.600 0.042 0.000 2.336 325 M HA 0.551 5.031 4.480 0.000 0.000 0.342 325 M C -1.478 174.857 176.300 0.057 0.000 1.128 325 M CA -0.237 55.078 55.300 0.025 0.000 1.016 325 M CB 1.444 34.026 32.600 -0.031 0.000 1.665 325 M HN 0.582 nan 8.290 nan 0.000 0.445 326 D N 5.122 125.546 120.400 0.041 0.000 2.646 326 D HA 0.511 5.151 4.640 0.000 0.000 0.245 326 D C -1.207 175.090 176.300 -0.005 0.000 1.099 326 D CA -0.187 53.833 54.000 0.033 0.000 0.849 326 D CB 2.282 43.120 40.800 0.064 0.000 1.448 326 D HN 0.615 nan 8.370 nan 0.000 0.489 327 I N 2.488 123.078 120.570 0.034 0.000 2.382 327 I HA 0.291 4.461 4.170 0.000 0.000 0.285 327 I C -0.374 175.767 176.117 0.040 0.000 1.007 327 I CA -0.578 60.742 61.300 0.032 0.000 1.142 327 I CB 1.220 39.312 38.000 0.153 0.000 1.289 327 I HN 0.167 nan 8.210 nan 0.000 0.453 328 c N 3.855 122.474 118.600 0.032 0.000 2.411 328 c HA 0.578 5.148 4.570 0.000 0.000 0.330 328 c C -0.222 174.028 174.090 0.266 0.000 1.224 328 c CA -0.763 55.652 56.329 0.143 0.000 1.770 328 c CB 1.156 43.773 42.510 0.179 0.000 2.297 328 c HN 0.580 nan 8.230 nan 0.000 0.507 329 D N 0.018 120.534 120.400 0.194 0.000 2.252 329 D HA 0.274 4.914 4.640 0.000 0.000 0.245 329 D C -0.799 175.333 176.300 -0.281 0.000 1.009 329 D CA -0.260 53.780 54.000 0.067 0.000 0.870 329 D CB 1.249 42.052 40.800 0.006 0.000 1.251 329 D HN 0.609 nan 8.370 nan 0.000 0.460 330 Y N 1.306 121.099 120.300 -0.845 0.000 2.377 330 Y HA 0.108 4.658 4.550 0.000 0.000 0.330 330 Y C 0.135 175.703 175.900 -0.554 0.000 1.108 330 Y CA -0.076 57.235 58.100 -1.315 0.000 1.308 330 Y CB 0.677 38.414 38.460 -1.205 0.000 1.216 330 Y HN 0.140 nan 8.280 nan 0.000 0.518 331 D N 6.139 125.906 120.400 -1.055 0.000 2.500 331 D HA 0.049 4.690 4.640 0.000 0.000 0.219 331 D C 0.959 176.742 176.300 -0.861 0.000 1.137 331 D CA 0.033 53.619 54.000 -0.691 0.000 0.946 331 D CB 0.379 40.915 40.800 -0.440 0.000 1.022 331 D HN 0.863 nan 8.370 nan 0.000 0.518 332 E N 2.095 121.918 120.200 -0.628 0.000 2.520 332 E HA -0.290 4.060 4.350 0.000 0.000 0.248 332 E C -0.072 176.358 176.600 -0.284 0.000 0.958 332 E CA 1.520 57.736 56.400 -0.308 0.000 1.105 332 E CB -0.573 29.082 29.700 -0.076 0.000 1.086 332 E HN 0.273 nan 8.360 nan 0.000 0.523 333 S N -1.272 114.325 115.700 -0.172 0.000 2.400 333 S HA 0.459 4.929 4.470 0.000 0.000 0.295 333 S C 0.148 174.656 174.600 -0.152 0.000 1.113 333 S CA 0.730 58.862 58.200 -0.112 0.000 1.064 333 S CB -0.053 63.111 63.200 -0.061 0.000 0.990 333 S HN 0.507 nan 8.310 nan 0.000 0.502 334 S N 3.345 118.958 115.700 -0.146 0.000 2.233 334 S HA -0.003 4.467 4.470 0.000 0.000 0.100 334 S C 1.232 175.763 174.600 -0.114 0.000 0.533 334 S CA 0.912 59.033 58.200 -0.131 0.000 1.514 334 S CB -1.588 61.506 63.200 -0.178 0.000 0.791 334 S HN 2.086 nan 8.310 nan 0.000 0.369 335 G N 2.176 110.849 108.800 -0.212 0.000 2.220 335 G HA2 -0.333 3.627 3.960 0.000 0.000 0.269 335 G HA3 -0.333 3.627 3.960 0.000 0.000 0.269 335 G C 0.083 175.000 174.900 0.029 0.000 0.977 335 G CA 1.010 46.104 45.100 -0.011 0.000 0.634 335 G HN 0.809 nan 8.290 nan 0.000 0.539 336 R N -1.397 119.039 120.500 -0.106 0.000 2.531 336 R HA 0.592 4.932 4.340 0.000 0.000 0.260 336 R C -0.602 175.609 176.300 -0.148 0.000 1.144 336 R CA -0.515 55.593 56.100 0.012 0.000 1.171 336 R CB 0.535 30.843 30.300 0.014 0.000 1.199 336 R HN 0.184 nan 8.270 nan 0.000 0.594 337 W N 0.179 121.473 121.300 -0.011 0.000 2.587 337 W HA 0.380 5.040 4.660 0.000 0.000 0.324 337 W C -0.547 175.945 176.519 -0.045 0.000 1.040 337 W CA -0.374 56.958 57.345 -0.022 0.000 1.222 337 W CB 1.250 30.698 29.460 -0.021 0.000 1.381 337 W HN 0.453 nan 8.180 nan 0.000 0.483 338 N N 1.810 120.574 118.700 0.107 0.000 2.321 338 N HA 0.560 5.300 4.740 0.000 0.000 0.299 338 N C -1.539 174.011 175.510 0.067 0.000 1.048 338 N CA -0.710 52.372 53.050 0.053 0.000 0.836 338 N CB 1.350 39.827 38.487 -0.017 0.000 1.269 338 N HN 0.196 nan 8.380 nan 0.000 0.486 339 c N 2.944 121.569 118.600 0.042 0.000 2.317 339 c HA 0.353 4.924 4.570 0.000 0.000 0.306 339 c C 0.464 174.556 174.090 0.003 0.000 1.087 339 c CA -1.139 55.208 56.329 0.030 0.000 1.529 339 c CB -1.405 41.118 42.510 0.022 0.000 1.880 339 c HN 0.618 nan 8.230 nan 0.000 0.417 340 L N 2.387 123.613 121.223 0.005 0.000 2.578 340 L HA -0.014 4.326 4.340 0.000 0.000 0.279 340 L C 1.745 178.597 176.870 -0.030 0.000 1.227 340 L CA 0.313 55.146 54.840 -0.011 0.000 0.900 340 L CB 0.436 42.493 42.059 -0.003 0.000 1.144 340 L HN 0.674 nan 8.230 nan 0.000 0.496 341 V N 3.918 123.808 119.914 -0.041 0.000 2.626 341 V HA -0.217 3.904 4.120 0.000 0.000 0.252 341 V C 2.230 178.278 176.094 -0.078 0.000 1.067 341 V CA 1.983 64.247 62.300 -0.060 0.000 1.081 341 V CB -0.076 31.716 31.823 -0.053 0.000 0.686 341 V HN 0.969 nan 8.190 nan 0.000 0.468 342 A N 0.187 122.972 122.820 -0.057 0.000 2.070 342 A HA -0.102 4.218 4.320 0.000 0.000 0.220 342 A C 2.251 179.782 177.584 -0.087 0.000 1.159 342 A CA 1.650 53.652 52.037 -0.059 0.000 0.656 342 A CB -0.470 18.512 19.000 -0.030 0.000 0.800 342 A HN 0.650 nan 8.150 nan 0.000 0.453 343 R N -0.378 120.072 120.500 -0.084 0.000 2.362 343 R HA 0.091 4.431 4.340 0.000 0.000 0.227 343 R C 0.153 176.294 176.300 -0.266 0.000 0.905 343 R CA 0.046 56.096 56.100 -0.082 0.000 1.067 343 R CB 0.223 30.559 30.300 0.059 0.000 1.078 343 R HN 0.846 nan 8.270 nan 0.000 0.516 344 Q N 0.107 119.720 119.800 -0.312 0.000 2.259 344 Q HA 0.240 4.580 4.340 0.000 0.000 0.246 344 Q C -1.075 174.581 176.000 -0.573 0.000 0.920 344 Q CA -0.380 55.248 55.803 -0.292 0.000 0.895 344 Q CB 1.062 29.725 28.738 -0.125 0.000 1.220 344 Q HN 0.140 nan 8.270 nan 0.000 0.439 345 H N 0.746 119.811 119.070 -0.009 0.000 2.589 345 H HA 0.478 5.034 4.556 0.000 0.000 0.351 345 H C -0.884 174.405 175.328 -0.064 0.000 1.074 345 H CA -0.636 55.403 56.048 -0.015 0.000 1.203 345 H CB 1.535 31.282 29.762 -0.024 0.000 1.558 345 H HN 0.537 nan 8.280 nan 0.000 0.522 346 I N 2.129 122.707 120.570 0.013 0.000 2.331 346 I HA 0.166 4.336 4.170 0.000 0.000 0.292 346 I C -0.037 176.027 176.117 -0.087 0.000 0.998 346 I CA -0.098 61.123 61.300 -0.131 0.000 1.267 346 I CB 1.185 39.077 38.000 -0.180 0.000 1.386 346 I HN 0.637 nan 8.210 nan 0.000 0.476 347 E N 8.790 128.896 120.200 -0.157 0.000 2.331 347 E HA 0.413 4.763 4.350 0.000 0.000 0.243 347 E C -0.878 175.644 176.600 -0.130 0.000 0.925 347 E CA -0.618 55.737 56.400 -0.075 0.000 0.760 347 E CB 0.904 30.587 29.700 -0.028 0.000 1.254 347 E HN 0.597 nan 8.360 nan 0.000 0.419 348 M N 1.057 120.600 119.600 -0.095 0.000 2.852 348 M HA 0.714 5.194 4.480 0.000 0.000 0.301 348 M C -0.523 175.781 176.300 0.006 0.000 1.229 348 M CA -0.937 54.341 55.300 -0.037 0.000 0.832 348 M CB 2.051 34.665 32.600 0.024 0.000 1.726 348 M HN 0.226 nan 8.290 nan 0.000 0.497 349 S N -1.583 114.130 115.700 0.022 0.000 2.618 349 S HA 0.684 5.154 4.470 0.000 0.000 0.277 349 S C -0.598 173.993 174.600 -0.015 0.000 1.138 349 S CA -0.372 57.818 58.200 -0.017 0.000 0.844 349 S CB 2.250 65.406 63.200 -0.075 0.000 1.127 349 S HN 0.818 nan 8.310 nan 0.000 0.474 350 T N 0.771 115.302 114.554 -0.039 0.000 3.192 350 T HA 0.174 4.524 4.350 0.000 0.000 0.295 350 T C 0.772 175.436 174.700 -0.059 0.000 0.947 350 T CA 0.458 62.538 62.100 -0.033 0.000 0.916 350 T CB 0.336 69.198 68.868 -0.011 0.000 1.169 350 T HN 0.762 nan 8.240 nan 0.000 0.540 351 T N -1.609 112.879 114.554 -0.110 0.000 3.087 351 T HA 0.627 4.977 4.350 0.000 0.000 0.283 351 T C 0.814 175.272 174.700 -0.403 0.000 0.956 351 T CA 0.399 62.423 62.100 -0.127 0.000 0.894 351 T CB 1.000 69.864 68.868 -0.008 0.000 1.160 351 T HN 0.420 nan 8.240 nan 0.000 0.532 352 G N 0.654 109.113 108.800 -0.569 0.000 2.393 352 G HA2 0.438 4.398 3.960 0.000 0.000 0.264 352 G HA3 0.438 4.398 3.960 0.000 0.000 0.264 352 G C -1.549 173.086 174.900 -0.442 0.000 1.221 352 G CA -0.464 44.103 45.100 -0.888 0.000 0.912 352 G HN 0.478 nan 8.290 nan 0.000 0.483 353 W N -0.297 120.759 121.300 -0.406 0.000 2.181 353 W HA 0.757 5.417 4.660 0.000 0.000 0.415 353 W C -0.268 176.192 176.519 -0.098 0.000 1.689 353 W CA -1.204 56.009 57.345 -0.221 0.000 1.859 353 W CB 0.433 29.717 29.460 -0.293 0.000 1.425 353 W HN 0.296 nan 8.180 nan 0.000 0.713 354 V N 2.599 122.588 119.914 0.124 0.000 2.394 354 V HA 0.719 4.839 4.120 0.000 0.000 0.282 354 V C 0.705 176.871 176.094 0.119 0.000 1.031 354 V CA 0.223 62.551 62.300 0.047 0.000 0.881 354 V CB 0.093 31.948 31.823 0.054 0.000 0.982 354 V HN 1.281 nan 8.190 nan 0.000 0.451 355 G N 4.891 113.715 108.800 0.040 0.000 2.795 355 G HA2 -0.202 3.758 3.960 0.000 0.000 0.664 355 G HA3 -0.202 3.758 3.960 0.000 0.000 0.664 355 G C 0.254 175.241 174.900 0.145 0.000 1.381 355 G CA 0.200 45.354 45.100 0.091 0.000 0.853 355 G HN 0.683 nan 8.290 nan 0.000 0.545 356 R N -1.092 119.494 120.500 0.144 0.000 2.189 356 R HA 0.262 4.602 4.340 0.000 0.000 0.218 356 R C 1.331 177.592 176.300 -0.064 0.000 1.074 356 R CA 1.900 58.045 56.100 0.076 0.000 0.991 356 R CB -0.081 30.287 30.300 0.114 0.000 0.883 356 R HN 0.496 nan 8.270 nan 0.000 0.457 357 F N -1.508 118.601 119.950 0.265 0.000 3.064 357 F HA 0.188 4.715 4.527 0.000 0.000 0.406 357 F C -0.439 175.388 175.800 0.046 0.000 1.027 357 F CA -0.502 57.581 58.000 0.138 0.000 0.960 357 F CB 0.751 39.828 39.000 0.129 0.000 1.418 357 F HN -0.203 nan 8.300 nan 0.000 0.536 358 R N -0.370 120.274 120.500 0.241 0.000 2.824 358 R HA 0.315 4.655 4.340 0.000 0.000 0.267 358 R C -3.366 172.993 176.300 0.099 0.000 1.035 358 R CA -1.564 54.599 56.100 0.106 0.000 0.887 358 R CB 0.522 30.836 30.300 0.024 0.000 1.262 358 R HN -0.332 nan 8.270 nan 0.000 0.487 359 P HA -0.069 nan 4.420 nan 0.000 0.261 359 P C 0.219 177.540 177.300 0.035 0.000 1.203 359 P CA 0.385 63.505 63.100 0.034 0.000 0.767 359 P CB 0.745 32.445 31.700 -0.000 0.000 0.785 360 S N 2.773 118.508 115.700 0.057 0.000 2.540 360 S HA -0.049 4.421 4.470 0.000 0.000 0.272 360 S C 0.459 175.087 174.600 0.046 0.000 1.357 360 S CA -0.418 57.826 58.200 0.073 0.000 1.011 360 S CB 0.231 63.477 63.200 0.076 0.000 0.852 360 S HN 0.614 nan 8.310 nan 0.000 0.535 361 E N 1.376 121.635 120.200 0.099 0.000 2.266 361 E HA 0.433 4.783 4.350 0.000 0.000 0.277 361 E C -2.824 173.867 176.600 0.152 0.000 1.018 361 E CA -2.531 53.936 56.400 0.112 0.000 0.840 361 E CB 0.637 30.453 29.700 0.193 0.000 1.082 361 E HN 0.478 nan 8.360 nan 0.000 0.395 362 P HA 0.245 nan 4.420 nan 0.000 0.281 362 P C -0.831 176.679 177.300 0.350 0.000 1.249 362 P CA -0.329 62.752 63.100 -0.031 0.000 0.810 362 P CB 0.737 32.118 31.700 -0.531 0.000 1.008 363 H N 1.572 120.690 119.070 0.079 0.000 2.866 363 H HA 0.280 4.837 4.556 0.000 0.000 0.287 363 H C -0.291 175.211 175.328 0.289 0.000 1.106 363 H CA -0.529 55.655 56.048 0.227 0.000 1.396 363 H CB 0.235 30.123 29.762 0.209 0.000 1.469 363 H HN 0.290 nan 8.280 nan 0.000 0.500 364 F N 1.347 121.498 119.950 0.336 0.000 2.450 364 F HA 0.026 4.553 4.527 0.000 0.000 0.339 364 F C 1.547 177.551 175.800 0.340 0.000 1.146 364 F CA 0.135 58.348 58.000 0.355 0.000 1.267 364 F CB 0.745 39.892 39.000 0.245 0.000 1.178 364 F HN 0.306 nan 8.300 nan 0.000 0.585 365 T N 3.362 118.230 114.554 0.523 0.000 2.802 365 T HA 0.015 4.365 4.350 0.000 0.000 0.305 365 T C 1.231 176.135 174.700 0.340 0.000 1.053 365 T CA -0.580 61.762 62.100 0.404 0.000 1.058 365 T CB 0.614 69.701 68.868 0.364 0.000 0.988 365 T HN 0.539 nan 8.240 nan 0.000 0.539 366 L N 1.875 123.251 121.223 0.254 0.000 2.043 366 L HA -0.124 4.217 4.340 0.000 0.000 0.212 366 L C 1.817 178.808 176.870 0.201 0.000 1.075 366 L CA 2.005 56.969 54.840 0.206 0.000 0.752 366 L CB -0.819 41.336 42.059 0.159 0.000 0.891 366 L HN 0.800 nan 8.230 nan 0.000 0.432 367 D N -1.332 119.189 120.400 0.201 0.000 2.323 367 D HA 0.090 4.730 4.640 0.000 0.000 0.239 367 D C 1.548 177.976 176.300 0.214 0.000 1.129 367 D CA 0.547 54.656 54.000 0.181 0.000 0.865 367 D CB -0.899 39.994 40.800 0.154 0.000 0.913 367 D HN 0.423 nan 8.370 nan 0.000 0.517 368 G N 0.894 109.862 108.800 0.281 0.000 2.280 368 G HA2 -0.442 3.518 3.960 0.000 0.000 0.282 368 G HA3 -0.442 3.518 3.960 0.000 0.000 0.282 368 G C 0.843 175.985 174.900 0.404 0.000 1.000 368 G CA 0.837 46.146 45.100 0.348 0.000 0.751 368 G HN 0.532 nan 8.290 nan 0.000 0.515 369 N N -0.511 118.383 118.700 0.323 0.000 2.415 369 N HA 0.225 4.966 4.740 0.000 0.000 0.176 369 N C 1.211 176.855 175.510 0.223 0.000 1.042 369 N CA 0.725 53.924 53.050 0.248 0.000 0.902 369 N CB 0.174 38.757 38.487 0.161 0.000 0.986 369 N HN 0.637 nan 8.380 nan 0.000 0.447 370 S N -0.545 115.298 115.700 0.238 0.000 2.776 370 S HA 0.743 5.214 4.470 0.000 0.000 0.292 370 S C -1.171 173.434 174.600 0.009 0.000 1.187 370 S CA -0.985 57.194 58.200 -0.034 0.000 0.834 370 S CB 1.604 64.684 63.200 -0.200 0.000 1.199 370 S HN 0.162 nan 8.310 nan 0.000 0.514 371 F N -2.519 117.247 119.950 -0.306 0.000 2.926 371 F HA 0.819 5.346 4.527 0.000 0.000 0.321 371 F C -2.438 173.212 175.800 -0.251 0.000 1.168 371 F CA -1.582 56.219 58.000 -0.330 0.000 0.890 371 F CB 0.334 38.720 39.000 -1.023 0.000 1.357 371 F HN 0.631 nan 8.300 nan 0.000 0.468 372 Y N 0.489 120.992 120.300 0.337 0.000 2.545 372 Y HA 0.739 5.290 4.550 0.000 0.000 0.348 372 Y C -0.871 175.170 175.900 0.234 0.000 1.002 372 Y CA -1.269 56.990 58.100 0.266 0.000 1.039 372 Y CB 2.483 41.012 38.460 0.115 0.000 1.271 372 Y HN 0.751 nan 8.280 nan 0.000 0.467 373 K N 1.063 121.672 120.400 0.348 0.000 2.583 373 K HA 0.496 4.816 4.320 0.000 0.000 0.260 373 K C -1.903 174.796 176.600 0.165 0.000 0.931 373 K CA -0.667 55.727 56.287 0.177 0.000 0.849 373 K CB 1.121 33.688 32.500 0.113 0.000 1.347 373 K HN 0.620 nan 8.250 nan 0.000 0.425 374 I N 4.594 125.213 120.570 0.083 0.000 2.683 374 I HA 0.163 4.333 4.170 0.000 0.000 0.286 374 I C 0.499 176.692 176.117 0.128 0.000 1.175 374 I CA -0.008 61.347 61.300 0.093 0.000 1.429 374 I CB -0.093 37.939 38.000 0.054 0.000 1.371 374 I HN 0.662 nan 8.210 nan 0.000 0.569 375 I N 1.687 122.365 120.570 0.180 0.000 3.093 375 I HA 0.448 4.618 4.170 0.000 0.000 0.308 375 I C -0.598 175.637 176.117 0.195 0.000 1.303 375 I CA -0.802 60.612 61.300 0.189 0.000 0.975 375 I CB 2.177 40.325 38.000 0.247 0.000 1.286 375 I HN 0.350 nan 8.210 nan 0.000 0.459 376 S N 2.276 118.039 115.700 0.105 0.000 2.523 376 S HA 0.353 4.824 4.470 0.000 0.000 0.275 376 S C 0.092 174.679 174.600 -0.022 0.000 1.281 376 S CA -0.370 57.826 58.200 -0.006 0.000 1.050 376 S CB -0.007 63.140 63.200 -0.088 0.000 0.937 376 S HN 0.649 nan 8.310 nan 0.000 0.492 377 N N 2.280 120.847 118.700 -0.221 0.000 2.235 377 N HA 0.045 4.785 4.740 0.000 0.000 0.231 377 N C 0.993 176.358 175.510 -0.241 0.000 1.330 377 N CA -0.107 52.648 53.050 -0.491 0.000 0.898 377 N CB 0.159 38.380 38.487 -0.442 0.000 1.151 377 N HN 0.732 nan 8.380 nan 0.000 0.472 378 E N 0.230 120.281 120.200 -0.248 0.000 2.371 378 E HA -0.022 4.329 4.350 0.000 0.000 0.194 378 E C 0.827 177.362 176.600 -0.108 0.000 1.012 378 E CA 0.862 57.189 56.400 -0.121 0.000 0.860 378 E CB 0.105 29.745 29.700 -0.099 0.000 0.811 378 E HN 0.538 nan 8.360 nan 0.000 0.502 379 E N -1.548 118.578 120.200 -0.123 0.000 2.447 379 E HA 0.086 4.436 4.350 0.000 0.000 0.195 379 E C 0.675 177.276 176.600 0.002 0.000 1.028 379 E CA 0.488 56.868 56.400 -0.033 0.000 0.876 379 E CB 0.270 29.959 29.700 -0.019 0.000 0.885 379 E HN 0.358 nan 8.360 nan 0.000 0.500 380 G N 0.486 109.228 108.800 -0.097 0.000 2.179 380 G HA2 -0.248 3.712 3.960 0.000 0.000 0.220 380 G HA3 -0.248 3.712 3.960 0.000 0.000 0.220 380 G C -0.365 174.310 174.900 -0.375 0.000 0.990 380 G CA 0.026 44.979 45.100 -0.245 0.000 0.646 380 G HN 0.176 nan 8.290 nan 0.000 0.517 381 Y N 1.579 121.731 120.300 -0.248 0.000 2.341 381 Y HA 0.629 5.179 4.550 0.000 0.000 0.340 381 Y C 1.219 176.918 175.900 -0.334 0.000 0.997 381 Y CA -0.896 57.030 58.100 -0.291 0.000 1.149 381 Y CB 0.792 39.076 38.460 -0.293 0.000 1.171 381 Y HN 0.095 nan 8.280 nan 0.000 0.494 382 R N 3.883 124.240 120.500 -0.239 0.000 2.449 382 R HA 0.177 4.517 4.340 0.000 0.000 0.296 382 R C -0.562 175.511 176.300 -0.378 0.000 1.047 382 R CA 0.267 56.253 56.100 -0.191 0.000 1.018 382 R CB 0.066 30.296 30.300 -0.117 0.000 0.962 382 R HN 0.665 nan 8.270 nan 0.000 0.428 383 H N 1.443 120.504 119.070 -0.016 0.000 2.977 383 H HA 0.326 4.882 4.556 0.000 0.000 0.350 383 H C -0.095 175.292 175.328 0.098 0.000 1.238 383 H CA -0.932 55.096 56.048 -0.035 0.000 1.124 383 H CB 1.484 31.152 29.762 -0.155 0.000 1.866 383 H HN 0.330 nan 8.280 nan 0.000 0.550 384 I N 1.470 122.126 120.570 0.143 0.000 2.452 384 I HA 0.013 4.184 4.170 0.000 0.000 0.287 384 I C 0.411 176.550 176.117 0.038 0.000 1.079 384 I CA 0.248 61.583 61.300 0.059 0.000 1.387 384 I CB 0.212 38.165 38.000 -0.079 0.000 1.404 384 I HN 0.131 nan 8.210 nan 0.000 0.522 385 c N 7.340 125.917 118.600 -0.038 0.000 2.435 385 c HA 0.450 5.020 4.570 0.000 0.000 0.333 385 c C -0.404 173.533 174.090 -0.255 0.000 1.202 385 c CA -0.475 55.602 56.329 -0.419 0.000 1.830 385 c CB 1.245 43.240 42.510 -0.858 0.000 2.326 385 c HN 0.633 nan 8.230 nan 0.000 0.507 386 Y N 4.502 124.416 120.300 -0.644 0.000 2.331 386 Y HA 0.688 5.238 4.550 0.000 0.000 0.338 386 Y C -1.032 174.354 175.900 -0.858 0.000 0.976 386 Y CA -0.980 56.693 58.100 -0.712 0.000 1.137 386 Y CB 0.252 38.372 38.460 -0.566 0.000 1.172 386 Y HN 0.600 nan 8.280 nan 0.000 0.478 387 F N 2.976 122.178 119.950 -1.248 0.000 2.556 387 F HA 0.554 5.081 4.527 0.000 0.000 0.327 387 F C -0.323 174.654 175.800 -1.371 0.000 1.059 387 F CA -1.070 56.121 58.000 -1.348 0.000 0.953 387 F CB 1.549 39.480 39.000 -1.782 0.000 1.227 387 F HN 0.245 nan 8.300 nan 0.000 0.478 388 Q N 1.598 121.010 119.800 -0.647 0.000 2.333 388 Q HA 0.418 4.758 4.340 0.000 0.000 0.268 388 Q C 1.016 176.928 176.000 -0.147 0.000 1.007 388 Q CA -0.350 55.208 55.803 -0.407 0.000 0.810 388 Q CB 1.425 29.992 28.738 -0.286 0.000 1.264 388 Q HN 0.658 nan 8.270 nan 0.000 0.452 389 I N -0.063 120.511 120.570 0.007 0.000 2.161 389 I HA -0.343 3.827 4.170 0.000 0.000 0.246 389 I C 0.319 176.634 176.117 0.330 0.000 1.048 389 I CA 2.008 63.490 61.300 0.303 0.000 1.314 389 I CB -0.367 37.833 38.000 0.333 0.000 1.014 389 I HN 0.555 nan 8.210 nan 0.000 0.418 390 D N 0.345 120.835 120.400 0.151 0.000 2.738 390 D HA 0.314 4.954 4.640 0.000 0.000 0.246 390 D C 0.005 176.334 176.300 0.048 0.000 1.270 390 D CA -0.410 53.638 54.000 0.079 0.000 0.833 390 D CB 0.282 41.106 40.800 0.040 0.000 1.040 390 D HN 0.226 nan 8.370 nan 0.000 0.487 391 K N 0.970 121.426 120.400 0.095 0.000 2.616 391 K HA 0.224 4.544 4.320 0.000 0.000 0.241 391 K C 0.754 177.416 176.600 0.104 0.000 0.961 391 K CA -0.623 55.681 56.287 0.027 0.000 0.942 391 K CB 0.904 33.362 32.500 -0.071 0.000 1.153 391 K HN -0.313 nan 8.250 nan 0.000 0.452 392 K N 0.761 121.205 120.400 0.073 0.000 2.127 392 K HA -0.114 4.207 4.320 0.000 0.000 0.208 392 K C -0.202 176.454 176.600 0.093 0.000 1.047 392 K CA 1.314 57.669 56.287 0.114 0.000 0.927 392 K CB -0.076 32.443 32.500 0.032 0.000 0.716 392 K HN 0.579 nan 8.250 nan 0.000 0.450 393 D N 0.056 120.433 120.400 -0.037 0.000 2.168 393 D HA 0.135 4.775 4.640 0.000 0.000 0.246 393 D C -0.039 176.037 176.300 -0.373 0.000 1.050 393 D CA -0.460 53.445 54.000 -0.158 0.000 0.857 393 D CB 1.392 42.115 40.800 -0.129 0.000 1.169 393 D HN 0.197 nan 8.370 nan 0.000 0.453 394 c N 0.065 118.274 118.600 -0.652 0.000 2.486 394 c HA 0.849 5.419 4.570 0.000 0.000 0.348 394 c C 0.073 173.732 174.090 -0.719 0.000 1.203 394 c CA -0.617 55.089 56.329 -1.040 0.000 1.911 394 c CB 1.163 42.346 42.510 -2.211 0.000 2.340 394 c HN 0.482 nan 8.230 nan 0.000 0.511 395 T N 2.072 116.264 114.554 -0.602 0.000 2.791 395 T HA 0.445 4.795 4.350 0.000 0.000 0.288 395 T C -0.618 173.850 174.700 -0.387 0.000 0.999 395 T CA 0.127 62.025 62.100 -0.337 0.000 0.952 395 T CB 0.153 68.980 68.868 -0.068 0.000 0.938 395 T HN 0.479 nan 8.240 nan 0.000 0.444 396 F N 3.489 123.321 119.950 -0.196 0.000 2.578 396 F HA 0.160 4.687 4.527 0.000 0.000 0.381 396 F C 1.727 177.358 175.800 -0.281 0.000 1.069 396 F CA -0.722 57.147 58.000 -0.218 0.000 1.231 396 F CB 0.232 39.106 39.000 -0.210 0.000 1.086 396 F HN 0.595 nan 8.300 nan 0.000 0.564 397 I N -0.091 120.327 120.570 -0.253 0.000 3.883 397 I HA 0.192 4.362 4.170 0.000 0.000 0.326 397 I C 0.278 176.222 176.117 -0.289 0.000 1.283 397 I CA 0.191 61.140 61.300 -0.584 0.000 1.161 397 I CB -0.200 37.225 38.000 -0.957 0.000 1.012 397 I HN 0.517 nan 8.210 nan 0.000 0.421 398 T N -0.040 114.399 114.554 -0.192 0.000 2.883 398 T HA 0.699 5.049 4.350 0.000 0.000 0.296 398 T C -0.782 173.470 174.700 -0.747 0.000 1.117 398 T CA -0.713 61.244 62.100 -0.239 0.000 1.006 398 T CB 2.673 71.524 68.868 -0.027 0.000 1.191 398 T HN 0.503 nan 8.240 nan 0.000 0.508 399 K N -0.343 119.363 120.400 -1.156 0.000 2.660 399 K HA 0.663 4.983 4.320 0.000 0.000 0.285 399 K C -0.555 175.321 176.600 -1.206 0.000 0.997 399 K CA -0.675 54.700 56.287 -1.521 0.000 0.861 399 K CB 1.130 33.205 32.500 -0.708 0.000 1.469 399 K HN 1.842 nan 8.250 nan 0.000 0.395 400 G N 0.283 108.479 108.800 -1.007 0.000 2.362 400 G HA2 0.044 4.004 3.960 0.000 0.000 0.656 400 G HA3 0.044 4.004 3.960 0.000 0.000 0.656 400 G C -0.389 173.898 174.900 -1.020 0.000 1.376 400 G CA -0.411 44.186 45.100 -0.839 0.000 0.971 400 G HN 1.192 nan 8.290 nan 0.000 0.636 401 T N -0.085 113.998 114.554 -0.785 0.000 4.729 401 T HA 0.475 4.826 4.350 0.000 0.000 0.219 401 T C 0.486 175.105 174.700 -0.136 0.000 0.849 401 T CA 1.044 62.648 62.100 -0.828 0.000 0.968 401 T CB -1.167 67.470 68.868 -0.385 0.000 1.436 401 T HN 1.634 nan 8.240 nan 0.000 1.056 402 W N -0.455 120.799 121.300 -0.077 0.000 2.799 402 W HA 0.641 5.302 4.660 0.000 0.000 0.416 402 W C -1.511 175.009 176.519 0.001 0.000 1.108 402 W CA -1.062 56.306 57.345 0.038 0.000 1.169 402 W CB 0.677 30.131 29.460 -0.011 0.000 1.471 402 W HN 0.241 nan 8.180 nan 0.000 0.586 403 E N 0.410 120.912 120.200 0.504 0.000 2.412 403 E HA 0.397 4.747 4.350 0.000 0.000 0.279 403 E C -1.580 175.196 176.600 0.295 0.000 0.984 403 E CA -1.082 55.395 56.400 0.128 0.000 0.788 403 E CB 3.214 32.931 29.700 0.028 0.000 1.277 403 E HN 0.173 nan 8.360 nan 0.000 0.455 404 V N 3.341 123.310 119.914 0.092 0.000 2.408 404 V HA 0.022 4.142 4.120 0.000 0.000 0.267 404 V C 1.229 177.391 176.094 0.114 0.000 1.047 404 V CA -0.086 62.283 62.300 0.115 0.000 0.937 404 V CB 0.495 32.286 31.823 -0.054 0.000 0.999 404 V HN 0.677 nan 8.190 nan 0.000 0.472 405 I N 3.513 124.165 120.570 0.136 0.000 2.439 405 I HA 0.155 4.325 4.170 0.000 0.000 0.251 405 I C 1.161 177.362 176.117 0.141 0.000 1.139 405 I CA 1.308 62.676 61.300 0.113 0.000 1.438 405 I CB -1.035 36.974 38.000 0.013 0.000 1.085 405 I HN 0.782 nan 8.210 nan 0.000 0.427 406 G N 0.264 109.152 108.800 0.146 0.000 2.368 406 G HA2 0.448 4.408 3.960 0.000 0.000 0.293 406 G HA3 0.448 4.408 3.960 0.000 0.000 0.293 406 G C -1.348 173.641 174.900 0.148 0.000 1.467 406 G CA -0.740 44.443 45.100 0.138 0.000 0.804 406 G HN -0.035 nan 8.290 nan 0.000 0.535 407 I N 1.440 122.052 120.570 0.071 0.000 2.315 407 I HA 0.303 4.473 4.170 0.000 0.000 0.291 407 I C 0.710 176.989 176.117 0.270 0.000 1.006 407 I CA -0.677 60.657 61.300 0.056 0.000 1.265 407 I CB 1.729 39.466 38.000 -0.438 0.000 1.387 407 I HN 0.464 nan 8.210 nan 0.000 0.475 408 E N 4.617 124.945 120.200 0.214 0.000 2.079 408 E HA 0.273 4.623 4.350 0.000 0.000 0.191 408 E C 0.376 176.942 176.600 -0.057 0.000 0.961 408 E CA 0.496 56.991 56.400 0.157 0.000 0.823 408 E CB 0.287 30.114 29.700 0.210 0.000 0.789 408 E HN 0.679 nan 8.360 nan 0.000 0.459 409 A N 0.387 123.070 122.820 -0.229 0.000 2.556 409 A HA 0.660 4.980 4.320 0.000 0.000 0.294 409 A C -1.701 175.851 177.584 -0.053 0.000 1.091 409 A CA -0.555 51.245 52.037 -0.396 0.000 0.704 409 A CB 1.490 19.640 19.000 -1.416 0.000 1.300 409 A HN 0.066 nan 8.150 nan 0.000 0.406 410 L N 1.495 122.708 121.223 -0.018 0.000 2.441 410 L HA 0.707 5.047 4.340 0.000 0.000 0.270 410 L C 0.192 177.112 176.870 0.083 0.000 0.973 410 L CA 0.354 55.232 54.840 0.063 0.000 0.842 410 L CB 1.865 43.981 42.059 0.096 0.000 1.239 410 L HN 1.071 nan 8.230 nan 0.000 0.406 411 T N -0.430 114.200 114.554 0.128 0.000 2.841 411 T HA 0.405 4.755 4.350 0.000 0.000 0.276 411 T C 1.075 175.844 174.700 0.114 0.000 1.003 411 T CA 0.060 62.241 62.100 0.134 0.000 0.995 411 T CB 1.163 70.151 68.868 0.199 0.000 1.260 411 T HN 0.563 nan 8.240 nan 0.000 0.581 412 S N -0.598 115.165 115.700 0.105 0.000 2.474 412 S HA -0.048 4.422 4.470 0.000 0.000 0.235 412 S C 0.631 175.248 174.600 0.028 0.000 0.997 412 S CA 0.887 59.134 58.200 0.078 0.000 0.949 412 S CB -0.461 62.783 63.200 0.073 0.000 0.766 412 S HN 0.713 nan 8.310 nan 0.000 0.517 413 D N -1.216 119.195 120.400 0.018 0.000 2.489 413 D HA 0.263 4.903 4.640 0.000 0.000 0.231 413 D C -0.685 175.369 176.300 -0.410 0.000 1.114 413 D CA 0.208 54.111 54.000 -0.162 0.000 0.842 413 D CB 0.425 41.139 40.800 -0.143 0.000 1.133 413 D HN 0.414 nan 8.370 nan 0.000 0.506 414 Y N 0.339 120.617 120.300 -0.037 0.000 2.553 414 Y HA 0.423 4.973 4.550 0.000 0.000 0.347 414 Y C -0.622 175.170 175.900 -0.179 0.000 1.019 414 Y CA -1.133 56.871 58.100 -0.161 0.000 1.032 414 Y CB 2.583 40.857 38.460 -0.310 0.000 1.284 414 Y HN -0.247 nan 8.280 nan 0.000 0.466 415 L N 3.853 125.009 121.223 -0.111 0.000 2.342 415 L HA 0.484 4.824 4.340 0.000 0.000 0.276 415 L C -1.913 174.887 176.870 -0.117 0.000 0.997 415 L CA -0.755 54.003 54.840 -0.136 0.000 0.838 415 L CB 0.186 42.058 42.059 -0.311 0.000 1.224 415 L HN 0.640 nan 8.230 nan 0.000 0.416 416 Y N 6.207 126.451 120.300 -0.094 0.000 2.336 416 Y HA 0.471 5.021 4.550 0.000 0.000 0.335 416 Y C 0.035 175.943 175.900 0.013 0.000 1.046 416 Y CA -0.021 58.001 58.100 -0.130 0.000 1.198 416 Y CB 0.862 39.113 38.460 -0.349 0.000 1.182 416 Y HN 0.578 nan 8.280 nan 0.000 0.502 417 Y N 0.572 120.928 120.300 0.092 0.000 2.625 417 Y HA 0.798 5.348 4.550 0.000 0.000 0.338 417 Y C -1.700 174.281 175.900 0.134 0.000 1.123 417 Y CA -2.123 56.033 58.100 0.094 0.000 1.046 417 Y CB 1.098 39.590 38.460 0.052 0.000 1.299 417 Y HN 0.390 nan 8.280 nan 0.000 0.464 418 I N 2.836 123.636 120.570 0.383 0.000 2.493 418 I HA 0.657 4.827 4.170 0.000 0.000 0.298 418 I C -0.373 175.949 176.117 0.342 0.000 0.998 418 I CA -0.494 60.963 61.300 0.262 0.000 1.137 418 I CB 2.112 40.189 38.000 0.128 0.000 1.310 418 I HN 0.936 nan 8.210 nan 0.000 0.445 419 S N 3.229 119.088 115.700 0.265 0.000 2.776 419 S HA 0.451 4.921 4.470 0.000 0.000 0.292 419 S C -0.809 173.812 174.600 0.035 0.000 1.187 419 S CA -0.807 57.477 58.200 0.141 0.000 0.834 419 S CB 1.785 64.984 63.200 -0.001 0.000 1.199 419 S HN 0.646 nan 8.310 nan 0.000 0.514 420 N N -0.601 118.099 118.700 -0.000 0.000 2.480 420 N HA 0.204 4.945 4.740 0.000 0.000 0.281 420 N C 0.319 175.789 175.510 -0.066 0.000 1.381 420 N CA -0.344 52.691 53.050 -0.025 0.000 0.903 420 N CB 0.435 38.908 38.487 -0.024 0.000 1.274 420 N HN 0.798 nan 8.380 nan 0.000 0.505 421 E N 0.283 120.271 120.200 -0.355 0.000 2.001 421 E HA -0.177 4.173 4.350 0.000 0.000 0.193 421 E C -0.316 176.178 176.600 -0.177 0.000 0.994 421 E CA 0.173 56.187 56.400 -0.642 0.000 0.815 421 E CB -0.169 28.550 29.700 -1.635 0.000 0.770 421 E HN 0.289 nan 8.360 nan 0.000 0.453 422 Y N 1.685 121.891 120.300 -0.158 0.000 3.161 422 Y HA -0.283 4.267 4.550 0.000 0.000 0.370 422 Y C 0.478 176.356 175.900 -0.037 0.000 1.199 422 Y CA 1.348 59.421 58.100 -0.045 0.000 1.581 422 Y CB 0.165 38.626 38.460 0.001 0.000 1.076 422 Y HN 0.272 nan 8.280 nan 0.000 0.602 423 K N 2.414 122.455 120.400 -0.598 0.000 3.184 423 K HA -0.232 4.088 4.320 0.000 0.000 0.301 423 K C 0.651 177.182 176.600 -0.115 0.000 1.170 423 K CA 1.510 57.570 56.287 -0.378 0.000 0.897 423 K CB -1.731 30.564 32.500 -0.343 0.000 1.218 423 K HN 1.533 nan 8.250 nan 0.000 0.441 424 G N 0.072 108.828 108.800 -0.074 0.000 2.338 424 G HA2 -0.314 3.646 3.960 0.000 0.000 0.296 424 G HA3 -0.314 3.646 3.960 0.000 0.000 0.296 424 G C -0.152 174.738 174.900 -0.016 0.000 1.040 424 G CA 0.629 45.737 45.100 0.013 0.000 1.004 424 G HN 0.267 nan 8.290 nan 0.000 0.509 425 M N 0.673 120.188 119.600 -0.141 0.000 2.018 425 M HA 0.253 4.734 4.480 0.000 0.000 0.311 425 M C -1.078 174.991 176.300 -0.385 0.000 0.928 425 M CA -2.117 52.921 55.300 -0.436 0.000 0.911 425 M CB 2.210 34.608 32.600 -0.336 0.000 1.447 425 M HN -0.012 nan 8.290 nan 0.000 0.407 426 P HA -0.122 nan 4.420 nan 0.000 0.221 426 P C 0.962 178.140 177.300 -0.203 0.000 1.145 426 P CA 1.345 64.307 63.100 -0.230 0.000 0.795 426 P CB 0.186 31.773 31.700 -0.189 0.000 0.775 427 G N -0.685 107.922 108.800 -0.322 0.000 3.284 427 G HA2 0.336 4.297 3.960 0.000 0.000 0.236 427 G HA3 0.336 4.297 3.960 0.000 0.000 0.236 427 G C 0.625 175.515 174.900 -0.018 0.000 1.158 427 G CA 0.077 45.106 45.100 -0.118 0.000 0.774 427 G HN 0.440 nan 8.290 nan 0.000 0.545 428 G N -0.274 108.464 108.800 -0.103 0.000 2.489 428 G HA2 0.662 4.623 3.960 0.000 0.000 0.327 428 G HA3 0.662 4.623 3.960 0.000 0.000 0.327 428 G C -0.898 173.874 174.900 -0.215 0.000 1.189 428 G CA -0.758 44.314 45.100 -0.047 0.000 0.962 428 G HN 0.067 nan 8.290 nan 0.000 0.486 429 R N 0.689 121.028 120.500 -0.269 0.000 2.621 429 R HA 0.503 4.844 4.340 0.000 0.000 0.284 429 R C -1.174 175.085 176.300 -0.068 0.000 0.998 429 R CA -0.816 55.086 56.100 -0.330 0.000 0.895 429 R CB 2.135 31.942 30.300 -0.820 0.000 1.195 429 R HN 0.632 nan 8.270 nan 0.000 0.450 430 N N 1.293 119.962 118.700 -0.053 0.000 2.484 430 N HA 0.276 5.016 4.740 0.000 0.000 0.269 430 N C -1.499 173.867 175.510 -0.240 0.000 1.237 430 N CA -0.776 52.159 53.050 -0.192 0.000 0.838 430 N CB 2.494 40.748 38.487 -0.387 0.000 1.593 430 N HN 0.221 nan 8.380 nan 0.000 0.485 431 L N 2.019 122.957 121.223 -0.475 0.000 2.292 431 L HA 0.508 4.848 4.340 0.000 0.000 0.284 431 L C -1.394 175.080 176.870 -0.659 0.000 1.065 431 L CA -0.034 54.566 54.840 -0.400 0.000 0.806 431 L CB -0.147 41.678 42.059 -0.390 0.000 1.175 431 L HN 0.436 nan 8.230 nan 0.000 0.431 432 Y N 3.455 123.419 120.300 -0.559 0.000 2.545 432 Y HA 0.608 5.158 4.550 0.000 0.000 0.348 432 Y C -0.460 174.992 175.900 -0.747 0.000 1.002 432 Y CA -0.839 56.825 58.100 -0.727 0.000 1.039 432 Y CB 1.811 39.602 38.460 -1.115 0.000 1.271 432 Y HN 0.563 nan 8.280 nan 0.000 0.467 433 K N 2.345 122.499 120.400 -0.409 0.000 2.422 433 K HA 0.804 5.124 4.320 0.000 0.000 0.251 433 K C -1.945 174.585 176.600 -0.116 0.000 0.933 433 K CA -0.720 55.279 56.287 -0.479 0.000 0.798 433 K CB 2.822 34.847 32.500 -0.791 0.000 1.238 433 K HN 0.755 nan 8.250 nan 0.000 0.428 434 I N 1.799 122.389 120.570 0.033 0.000 2.545 434 I HA 0.189 4.359 4.170 0.000 0.000 0.292 434 I C -0.990 175.171 176.117 0.073 0.000 1.040 434 I CA -0.851 60.533 61.300 0.140 0.000 1.068 434 I CB 2.291 40.402 38.000 0.185 0.000 1.251 434 I HN 0.846 nan 8.210 nan 0.000 0.424 435 Q N 4.987 124.773 119.800 -0.024 0.000 2.296 435 Q HA 0.161 4.501 4.340 0.000 0.000 0.262 435 Q C 0.022 175.935 176.000 -0.144 0.000 0.981 435 Q CA -0.528 55.055 55.803 -0.367 0.000 0.905 435 Q CB 1.375 29.939 28.738 -0.290 0.000 1.186 435 Q HN 0.719 nan 8.270 nan 0.000 0.399 436 L N 2.816 123.913 121.223 -0.210 0.000 2.201 436 L HA -0.151 4.189 4.340 0.000 0.000 0.212 436 L C 2.253 179.055 176.870 -0.112 0.000 1.105 436 L CA 1.672 56.488 54.840 -0.040 0.000 0.775 436 L CB -0.677 41.337 42.059 -0.075 0.000 0.913 436 L HN 0.733 nan 8.230 nan 0.000 0.440 437 S N -2.571 113.017 115.700 -0.186 0.000 2.527 437 S HA 0.014 4.484 4.470 0.000 0.000 0.222 437 S C 0.580 175.028 174.600 -0.254 0.000 0.985 437 S CA 0.247 58.325 58.200 -0.204 0.000 0.921 437 S CB -0.019 63.090 63.200 -0.153 0.000 0.772 437 S HN 0.369 nan 8.310 nan 0.000 0.529 438 D N -0.153 120.115 120.400 -0.220 0.000 2.319 438 D HA 0.245 4.885 4.640 0.000 0.000 0.237 438 D C -0.396 175.886 176.300 -0.029 0.000 1.353 438 D CA -0.619 53.271 54.000 -0.182 0.000 0.992 438 D CB 0.192 40.930 40.800 -0.103 0.000 1.368 438 D HN -0.037 nan 8.370 nan 0.000 0.564 439 Y N 0.926 121.202 120.300 -0.041 0.000 2.483 439 Y HA -0.115 4.435 4.550 0.000 0.000 0.291 439 Y C 2.557 178.461 175.900 0.006 0.000 1.143 439 Y CA 1.450 59.540 58.100 -0.017 0.000 1.289 439 Y CB -1.135 37.316 38.460 -0.014 0.000 0.983 439 Y HN 0.436 nan 8.280 nan 0.000 0.556 440 T N -2.762 111.868 114.554 0.126 0.000 3.072 440 T HA -0.021 4.329 4.350 0.000 0.000 0.266 440 T C 0.592 175.339 174.700 0.080 0.000 1.127 440 T CA 0.324 62.474 62.100 0.084 0.000 1.107 440 T CB -0.144 68.748 68.868 0.039 0.000 0.910 440 T HN -0.114 nan 8.240 nan 0.000 0.513 441 K N 1.762 122.212 120.400 0.082 0.000 2.281 441 K HA 0.611 4.931 4.320 0.000 0.000 0.272 441 K C -1.194 175.475 176.600 0.115 0.000 1.048 441 K CA -0.582 55.754 56.287 0.082 0.000 0.898 441 K CB 1.770 34.307 32.500 0.062 0.000 1.128 441 K HN 0.174 nan 8.250 nan 0.000 0.460 442 V N 2.489 122.469 119.914 0.111 0.000 2.532 442 V HA 0.503 4.623 4.120 0.000 0.000 0.294 442 V C -1.163 174.987 176.094 0.092 0.000 1.036 442 V CA -0.211 62.161 62.300 0.121 0.000 0.876 442 V CB 1.825 33.740 31.823 0.155 0.000 1.012 442 V HN 0.702 nan 8.190 nan 0.000 0.432 443 T N 6.010 120.586 114.554 0.037 0.000 2.867 443 T HA 0.354 4.704 4.350 0.000 0.000 0.282 443 T C -0.359 174.270 174.700 -0.118 0.000 1.000 443 T CA -0.204 61.877 62.100 -0.032 0.000 1.042 443 T CB 1.208 70.026 68.868 -0.083 0.000 0.973 443 T HN 0.925 nan 8.240 nan 0.000 0.465 444 C N 5.554 124.729 119.300 -0.207 0.000 2.246 444 C HA 0.431 4.891 4.460 0.000 0.000 0.329 444 C C 1.802 176.478 174.990 -0.523 0.000 1.221 444 C CA -0.694 57.962 59.018 -0.603 0.000 1.697 444 C CB -2.024 25.294 27.740 -0.703 0.000 2.312 444 C HN 0.993 nan 8.230 nan 0.000 0.509 445 L N 4.456 125.344 121.223 -0.558 0.000 2.156 445 L HA -0.016 4.324 4.340 0.000 0.000 0.208 445 L C 2.445 179.000 176.870 -0.526 0.000 1.095 445 L CA 1.673 56.251 54.840 -0.436 0.000 0.770 445 L CB -0.368 41.469 42.059 -0.369 0.000 0.914 445 L HN 0.890 nan 8.230 nan 0.000 0.439 446 S N -2.303 112.971 115.700 -0.711 0.000 2.566 446 S HA -0.071 4.399 4.470 0.000 0.000 0.234 446 S C 2.083 176.285 174.600 -0.663 0.000 1.075 446 S CA 0.322 58.007 58.200 -0.858 0.000 0.926 446 S CB -0.533 61.783 63.200 -1.474 0.000 0.811 446 S HN 0.350 nan 8.310 nan 0.000 0.518 447 C N 2.815 121.688 119.300 -0.713 0.000 2.315 447 C HA -0.192 4.268 4.460 0.000 0.000 0.256 447 C C 2.590 177.273 174.990 -0.510 0.000 1.076 447 C CA 1.779 60.309 59.018 -0.813 0.000 1.845 447 C CB -1.251 25.863 27.740 -1.044 0.000 2.066 447 C HN 0.628 nan 8.230 nan 0.000 0.423 448 E N 0.223 120.223 120.200 -0.334 0.000 2.474 448 E HA 0.130 4.480 4.350 0.000 0.000 0.194 448 E C 1.988 178.532 176.600 -0.094 0.000 1.041 448 E CA 0.081 56.388 56.400 -0.155 0.000 0.874 448 E CB -0.386 29.253 29.700 -0.103 0.000 0.914 448 E HN 0.682 nan 8.360 nan 0.000 0.498 449 L N 0.756 121.910 121.223 -0.115 0.000 2.034 449 L HA -0.188 4.152 4.340 0.000 0.000 0.217 449 L C 1.209 178.085 176.870 0.010 0.000 1.077 449 L CA 1.271 56.087 54.840 -0.040 0.000 0.769 449 L CB -0.265 41.778 42.059 -0.027 0.000 0.890 449 L HN 0.101 nan 8.230 nan 0.000 0.435 450 N N -1.761 116.959 118.700 0.034 0.000 2.805 450 N HA 0.073 4.813 4.740 0.000 0.000 0.216 450 N C -2.022 173.512 175.510 0.040 0.000 1.447 450 N CA -0.808 52.261 53.050 0.032 0.000 0.785 450 N CB 0.544 39.049 38.487 0.029 0.000 1.458 450 N HN -0.146 nan 8.380 nan 0.000 0.547 451 P HA -0.200 nan 4.420 nan 0.000 0.219 451 P C 0.931 178.272 177.300 0.068 0.000 1.145 451 P CA 1.162 64.304 63.100 0.070 0.000 0.813 451 P CB 0.792 32.550 31.700 0.097 0.000 0.771 452 E N 1.169 121.393 120.200 0.040 0.000 2.001 452 E HA -0.164 4.186 4.350 0.000 0.000 0.193 452 E C 2.251 178.856 176.600 0.009 0.000 0.994 452 E CA 1.456 57.871 56.400 0.026 0.000 0.815 452 E CB -0.451 29.257 29.700 0.012 0.000 0.770 452 E HN 0.298 nan 8.360 nan 0.000 0.453 453 R N -1.355 119.136 120.500 -0.015 0.000 2.334 453 R HA 0.292 4.632 4.340 0.000 0.000 0.216 453 R C -0.347 175.902 176.300 -0.085 0.000 0.905 453 R CA 0.197 56.267 56.100 -0.050 0.000 1.064 453 R CB -0.138 30.116 30.300 -0.076 0.000 1.046 453 R HN 0.025 nan 8.270 nan 0.000 0.508 454 c N 1.508 120.069 118.600 -0.064 0.000 2.455 454 c HA 0.376 4.946 4.570 0.000 0.000 0.321 454 c C 0.057 174.123 174.090 -0.041 0.000 1.102 454 c CA -0.635 55.588 56.329 -0.175 0.000 1.413 454 c CB 1.142 43.506 42.510 -0.242 0.000 1.952 454 c HN 0.519 nan 8.230 nan 0.000 0.428 455 Q N 0.344 120.121 119.800 -0.039 0.000 2.127 455 Q HA 0.227 4.567 4.340 0.000 0.000 0.222 455 Q C -0.928 175.132 176.000 0.099 0.000 0.794 455 Q CA 0.102 55.952 55.803 0.080 0.000 1.010 455 Q CB 1.346 30.150 28.738 0.110 0.000 1.170 455 Q HN 0.787 nan 8.270 nan 0.000 0.479 456 Y N 0.179 120.378 120.300 -0.169 0.000 2.332 456 Y HA 0.411 4.961 4.550 0.000 0.000 0.325 456 Y C -1.584 174.157 175.900 -0.265 0.000 1.054 456 Y CA -1.080 56.942 58.100 -0.129 0.000 1.119 456 Y CB 0.969 39.357 38.460 -0.120 0.000 1.168 456 Y HN -0.090 nan 8.280 nan 0.000 0.439 457 Y N 1.673 121.924 120.300 -0.082 0.000 2.662 457 Y HA 0.740 5.290 4.550 0.000 0.000 0.335 457 Y C -0.193 175.684 175.900 -0.038 0.000 1.066 457 Y CA -0.885 57.186 58.100 -0.048 0.000 1.116 457 Y CB 2.491 40.878 38.460 -0.120 0.000 1.308 457 Y HN 0.431 nan 8.280 nan 0.000 0.502 458 S N 0.210 116.037 115.700 0.211 0.000 2.541 458 S HA 0.731 5.202 4.470 0.000 0.000 0.271 458 S C -1.992 172.695 174.600 0.144 0.000 1.133 458 S CA -0.580 57.713 58.200 0.154 0.000 0.876 458 S CB 1.465 64.760 63.200 0.158 0.000 1.105 458 S HN 0.541 nan 8.310 nan 0.000 0.470 459 V N 2.341 122.340 119.914 0.143 0.000 3.046 459 V HA 0.953 5.073 4.120 0.000 0.000 0.316 459 V C -0.806 175.399 176.094 0.185 0.000 1.104 459 V CA -0.239 62.127 62.300 0.111 0.000 1.006 459 V CB 2.300 34.165 31.823 0.069 0.000 1.058 459 V HN 0.870 nan 8.190 nan 0.000 0.440 460 S N 3.480 119.258 115.700 0.129 0.000 2.446 460 S HA 0.553 5.023 4.470 0.000 0.000 0.230 460 S C -1.213 173.509 174.600 0.203 0.000 1.051 460 S CA -0.475 57.898 58.200 0.289 0.000 1.113 460 S CB 0.107 63.528 63.200 0.368 0.000 1.184 460 S HN 0.491 nan 8.310 nan 0.000 0.435 461 F N 2.616 122.587 119.950 0.035 0.000 2.370 461 F HA 0.540 5.067 4.527 0.000 0.000 0.319 461 F C 1.501 176.770 175.800 -0.885 0.000 1.129 461 F CA -0.296 57.539 58.000 -0.275 0.000 1.109 461 F CB 0.919 39.765 39.000 -0.257 0.000 1.262 461 F HN 0.564 nan 8.300 nan 0.000 0.534 462 S N 0.433 115.534 115.700 -0.999 0.000 2.671 462 S HA 0.245 4.715 4.470 0.000 0.000 0.272 462 S C 0.808 175.217 174.600 -0.320 0.000 1.174 462 S CA -0.826 56.649 58.200 -1.208 0.000 1.004 462 S CB 0.618 63.254 63.200 -0.940 0.000 1.077 462 S HN 0.495 nan 8.310 nan 0.000 0.553 463 K N 0.617 120.973 120.400 -0.072 0.000 2.589 463 K HA -0.035 4.285 4.320 0.000 0.000 0.195 463 K C -0.011 176.605 176.600 0.027 0.000 1.042 463 K CA 1.001 57.315 56.287 0.044 0.000 0.940 463 K CB -0.560 32.011 32.500 0.118 0.000 0.776 463 K HN 0.725 nan 8.250 nan 0.000 0.487 464 E N -1.388 118.804 120.200 -0.015 0.000 3.545 464 E HA 0.105 4.455 4.350 0.000 0.000 0.137 464 E C -0.978 175.602 176.600 -0.033 0.000 0.961 464 E CA 0.169 56.567 56.400 -0.004 0.000 1.550 464 E CB 0.486 30.201 29.700 0.025 0.000 1.080 464 E HN 0.166 nan 8.360 nan 0.000 0.368 465 A N 1.433 124.223 122.820 -0.051 0.000 2.596 465 A HA -0.325 3.995 4.320 0.000 0.000 0.300 465 A C 1.277 178.852 177.584 -0.015 0.000 1.495 465 A CA 1.882 53.928 52.037 0.014 0.000 0.769 465 A CB -1.343 17.518 19.000 -0.231 0.000 1.047 465 A HN 0.376 nan 8.150 nan 0.000 0.436 466 K N -1.738 118.595 120.400 -0.112 0.000 2.242 466 K HA 0.274 4.594 4.320 0.000 0.000 0.200 466 K C -0.114 176.182 176.600 -0.507 0.000 1.050 466 K CA 1.024 57.139 56.287 -0.286 0.000 0.981 466 K CB 0.212 32.539 32.500 -0.288 0.000 0.795 466 K HN 0.666 nan 8.250 nan 0.000 0.477 467 Y N -0.836 119.357 120.300 -0.180 0.000 2.562 467 Y HA 0.318 4.868 4.550 0.000 0.000 0.345 467 Y C -1.169 174.511 175.900 -0.368 0.000 1.045 467 Y CA -1.379 56.567 58.100 -0.256 0.000 1.028 467 Y CB 1.684 40.038 38.460 -0.176 0.000 1.297 467 Y HN -0.033 nan 8.280 nan 0.000 0.463 468 Y N -0.998 119.198 120.300 -0.174 0.000 2.544 468 Y HA 0.544 5.094 4.550 0.000 0.000 0.342 468 Y C -1.198 174.676 175.900 -0.043 0.000 1.062 468 Y CA -1.439 56.408 58.100 -0.421 0.000 1.023 468 Y CB 1.650 39.272 38.460 -1.397 0.000 1.308 468 Y HN 0.596 nan 8.280 nan 0.000 0.457 469 Q N 3.879 123.816 119.800 0.229 0.000 2.331 469 Q HA 0.470 4.810 4.340 0.000 0.000 0.257 469 Q C -1.597 174.505 176.000 0.170 0.000 0.957 469 Q CA -0.588 55.316 55.803 0.170 0.000 0.923 469 Q CB 1.107 29.918 28.738 0.121 0.000 1.212 469 Q HN 0.955 nan 8.270 nan 0.000 0.443 470 L N 4.605 125.946 121.223 0.197 0.000 2.326 470 L HA 0.425 4.765 4.340 0.000 0.000 0.278 470 L C -0.139 176.810 176.870 0.132 0.000 1.092 470 L CA -0.254 54.684 54.840 0.164 0.000 0.810 470 L CB 0.815 42.947 42.059 0.123 0.000 1.153 470 L HN 0.642 nan 8.230 nan 0.000 0.439 471 R N 2.953 123.523 120.500 0.117 0.000 2.412 471 R HA 0.268 4.608 4.340 0.000 0.000 0.304 471 R C -1.064 175.111 176.300 -0.208 0.000 1.066 471 R CA -0.555 55.443 56.100 -0.170 0.000 0.923 471 R CB 1.472 31.740 30.300 -0.055 0.000 1.156 471 R HN 0.556 nan 8.270 nan 0.000 0.513 472 c N 2.299 120.631 118.600 -0.446 0.000 2.394 472 c HA 0.283 4.853 4.570 0.000 0.000 0.362 472 c C 1.379 175.208 174.090 -0.435 0.000 1.268 472 c CA -0.153 55.781 56.329 -0.659 0.000 1.828 472 c CB 0.374 42.487 42.510 -0.662 0.000 2.442 472 c HN 0.921 nan 8.230 nan 0.000 0.549 473 S N 3.114 118.643 115.700 -0.284 0.000 2.486 473 S HA 0.457 4.927 4.470 0.000 0.000 0.220 473 S C 0.853 175.377 174.600 -0.127 0.000 1.011 473 S CA 0.705 58.809 58.200 -0.159 0.000 0.921 473 S CB 0.172 63.287 63.200 -0.142 0.000 0.785 473 S HN 1.290 nan 8.310 nan 0.000 0.517 474 G N 1.033 109.737 108.800 -0.160 0.000 2.367 474 G HA2 0.160 4.120 3.960 0.000 0.000 0.272 474 G HA3 0.160 4.120 3.960 0.000 0.000 0.272 474 G C -2.715 172.140 174.900 -0.076 0.000 1.271 474 G CA -0.308 44.739 45.100 -0.088 0.000 0.893 474 G HN -0.158 nan 8.290 nan 0.000 0.485 475 P HA 0.014 nan 4.420 nan 0.000 0.220 475 P C 1.384 178.709 177.300 0.041 0.000 1.144 475 P CA 1.880 64.997 63.100 0.027 0.000 0.800 475 P CB -0.032 31.688 31.700 0.033 0.000 0.772 476 G N 0.178 108.945 108.800 -0.055 0.000 2.546 476 G HA2 0.381 4.341 3.960 0.000 0.000 0.239 476 G HA3 0.381 4.341 3.960 0.000 0.000 0.239 476 G C -0.229 174.466 174.900 -0.341 0.000 1.476 476 G CA -0.619 44.388 45.100 -0.156 0.000 1.064 476 G HN 0.044 nan 8.290 nan 0.000 0.561 477 L N 1.259 122.220 121.223 -0.437 0.000 2.334 477 L HA 0.276 4.616 4.340 0.000 0.000 0.277 477 L C -2.039 174.686 176.870 -0.242 0.000 1.075 477 L CA -1.549 52.983 54.840 -0.513 0.000 0.804 477 L CB 1.461 43.245 42.059 -0.458 0.000 1.174 477 L HN 0.223 nan 8.230 nan 0.000 0.438 478 P HA -0.090 nan 4.420 nan 0.000 0.263 478 P C -0.941 176.328 177.300 -0.052 0.000 1.162 478 P CA 0.307 63.360 63.100 -0.078 0.000 0.758 478 P CB 0.308 32.100 31.700 0.153 0.000 0.773 479 L N 5.675 126.760 121.223 -0.229 0.000 2.482 479 L HA 0.453 4.794 4.340 0.000 0.000 0.269 479 L C -1.857 174.878 176.870 -0.225 0.000 0.967 479 L CA -0.783 53.999 54.840 -0.097 0.000 0.851 479 L CB 0.866 42.872 42.059 -0.088 0.000 1.242 479 L HN 0.184 nan 8.230 nan 0.000 0.404 480 Y N 2.790 123.066 120.300 -0.040 0.000 2.328 480 Y HA 0.746 5.296 4.550 0.000 0.000 0.337 480 Y C 0.618 176.428 175.900 -0.151 0.000 0.966 480 Y CA -0.703 57.354 58.100 -0.071 0.000 1.136 480 Y CB 1.827 40.222 38.460 -0.108 0.000 1.170 480 Y HN 0.669 nan 8.280 nan 0.000 0.470 481 T N 0.910 115.473 114.554 0.014 0.000 2.924 481 T HA 0.726 5.076 4.350 0.000 0.000 0.291 481 T C -1.269 173.307 174.700 -0.207 0.000 1.045 481 T CA -0.897 61.132 62.100 -0.118 0.000 1.015 481 T CB 2.098 70.951 68.868 -0.024 0.000 1.103 481 T HN 0.380 nan 8.240 nan 0.000 0.496 482 L N 1.826 122.776 121.223 -0.455 0.000 2.341 482 L HA 0.685 5.025 4.340 0.000 0.000 0.278 482 L C -1.213 175.252 176.870 -0.676 0.000 1.005 482 L CA -0.241 54.369 54.840 -0.383 0.000 0.818 482 L CB 1.198 43.078 42.059 -0.299 0.000 1.259 482 L HN 0.885 nan 8.230 nan 0.000 0.418 483 H N 0.791 119.617 119.070 -0.406 0.000 2.907 483 H HA 0.705 5.261 4.556 0.000 0.000 0.361 483 H C -0.896 174.179 175.328 -0.422 0.000 1.194 483 H CA -0.899 54.841 56.048 -0.514 0.000 1.152 483 H CB 1.769 30.998 29.762 -0.887 0.000 1.867 483 H HN 0.453 nan 8.280 nan 0.000 0.561 484 S N 0.198 115.808 115.700 -0.150 0.000 2.456 484 S HA 0.171 4.641 4.470 0.000 0.000 0.316 484 S C 0.598 175.146 174.600 -0.087 0.000 1.089 484 S CA -0.701 57.442 58.200 -0.095 0.000 1.101 484 S CB 1.411 64.593 63.200 -0.030 0.000 0.995 484 S HN 0.655 nan 8.310 nan 0.000 0.468 485 S N 2.032 117.705 115.700 -0.045 0.000 2.382 485 S HA -0.106 4.364 4.470 0.000 0.000 0.228 485 S C 1.967 176.613 174.600 0.077 0.000 1.027 485 S CA 0.790 59.082 58.200 0.153 0.000 0.991 485 S CB -0.153 63.121 63.200 0.124 0.000 0.823 485 S HN 0.577 nan 8.310 nan 0.000 0.469 486 V N 1.775 121.683 119.914 -0.011 0.000 2.594 486 V HA -0.117 4.003 4.120 0.000 0.000 0.253 486 V C 1.620 177.719 176.094 0.008 0.000 1.069 486 V CA 1.847 64.150 62.300 0.004 0.000 1.082 486 V CB -0.356 31.457 31.823 -0.018 0.000 0.680 486 V HN 0.571 nan 8.190 nan 0.000 0.469 487 N N -2.350 116.352 118.700 0.004 0.000 2.266 487 N HA 0.032 4.772 4.740 0.000 0.000 0.217 487 N C 0.027 175.544 175.510 0.012 0.000 1.211 487 N CA 0.623 53.676 53.050 0.005 0.000 0.881 487 N CB 0.782 39.272 38.487 0.004 0.000 1.153 487 N HN 0.318 nan 8.380 nan 0.000 0.489 488 D N 0.724 121.146 120.400 0.037 0.000 3.028 488 D HA -0.190 4.450 4.640 0.000 0.000 0.207 488 D C -0.092 176.240 176.300 0.053 0.000 1.100 488 D CA 0.919 54.965 54.000 0.076 0.000 0.995 488 D CB -1.205 39.644 40.800 0.081 0.000 1.108 488 D HN 0.437 nan 8.370 nan 0.000 0.421 489 K N 1.203 121.619 120.400 0.026 0.000 2.448 489 K HA 0.298 4.618 4.320 0.000 0.000 0.278 489 K C 0.713 177.314 176.600 0.003 0.000 1.009 489 K CA 0.546 56.846 56.287 0.022 0.000 0.995 489 K CB 0.492 32.990 32.500 -0.003 0.000 0.917 489 K HN 0.080 nan 8.250 nan 0.000 0.481 490 G N 4.739 113.531 108.800 -0.014 0.000 2.367 490 G HA2 0.117 4.077 3.960 0.000 0.000 0.280 490 G HA3 0.117 4.077 3.960 0.000 0.000 0.280 490 G C 0.888 175.633 174.900 -0.258 0.000 1.175 490 G CA -0.469 44.470 45.100 -0.267 0.000 1.001 490 G HN 0.718 nan 8.290 nan 0.000 0.437 491 L N 1.896 122.922 121.223 -0.329 0.000 2.027 491 L HA 0.146 4.486 4.340 0.000 0.000 0.206 491 L C 1.791 178.540 176.870 -0.203 0.000 1.074 491 L CA 1.291 56.004 54.840 -0.212 0.000 0.745 491 L CB -0.346 41.589 42.059 -0.207 0.000 0.898 491 L HN 0.815 nan 8.230 nan 0.000 0.433 492 R N -2.602 117.735 120.500 -0.272 0.000 2.888 492 R HA 0.350 4.690 4.340 0.000 0.000 0.277 492 R C -1.721 174.432 176.300 -0.244 0.000 0.981 492 R CA -0.953 55.020 56.100 -0.211 0.000 0.841 492 R CB 1.182 31.382 30.300 -0.167 0.000 1.405 492 R HN -0.291 nan 8.270 nan 0.000 0.472 493 V N 2.252 122.056 119.914 -0.183 0.000 2.370 493 V HA 0.265 4.385 4.120 0.000 0.000 0.279 493 V C 1.122 177.091 176.094 -0.209 0.000 1.029 493 V CA -0.559 61.642 62.300 -0.165 0.000 0.870 493 V CB 1.273 33.039 31.823 -0.095 0.000 0.984 493 V HN 0.615 nan 8.190 nan 0.000 0.451 494 L N 2.804 123.843 121.223 -0.306 0.000 2.209 494 L HA 0.260 4.600 4.340 0.000 0.000 0.207 494 L C 0.693 177.432 176.870 -0.218 0.000 1.094 494 L CA 0.769 55.303 54.840 -0.511 0.000 0.790 494 L CB 0.227 41.537 42.059 -1.249 0.000 0.932 494 L HN 0.707 nan 8.230 nan 0.000 0.447 495 E N -0.333 119.826 120.200 -0.069 0.000 2.506 495 E HA 0.064 4.415 4.350 0.000 0.000 0.308 495 E C -1.115 175.548 176.600 0.105 0.000 0.931 495 E CA -0.351 56.075 56.400 0.044 0.000 0.800 495 E CB 0.900 30.631 29.700 0.052 0.000 1.292 495 E HN 0.136 nan 8.360 nan 0.000 0.401 496 D N 3.014 123.447 120.400 0.055 0.000 2.398 496 D HA 0.146 4.786 4.640 0.000 0.000 0.210 496 D C -0.216 176.101 176.300 0.028 0.000 1.094 496 D CA -0.240 53.783 54.000 0.038 0.000 0.839 496 D CB 0.020 40.822 40.800 0.003 0.000 0.963 496 D HN 0.434 nan 8.370 nan 0.000 0.506 497 N N 0.199 118.927 118.700 0.047 0.000 2.738 497 N HA -0.171 4.569 4.740 0.000 0.000 0.249 497 N C 0.305 175.816 175.510 0.003 0.000 1.047 497 N CA 0.768 53.837 53.050 0.031 0.000 0.707 497 N CB -1.184 37.318 38.487 0.024 0.000 0.937 497 N HN 0.186 nan 8.380 nan 0.000 0.545 498 S N -0.344 115.361 115.700 0.008 0.000 2.387 498 S HA -0.037 4.433 4.470 0.000 0.000 0.226 498 S C 2.118 176.726 174.600 0.012 0.000 1.026 498 S CA 0.935 59.136 58.200 0.002 0.000 0.972 498 S CB 0.009 63.213 63.200 0.005 0.000 0.814 498 S HN 0.666 nan 8.310 nan 0.000 0.477 499 A N 1.654 124.491 122.820 0.028 0.000 1.917 499 A HA -0.129 4.191 4.320 0.000 0.000 0.219 499 A C 2.127 179.743 177.584 0.054 0.000 1.182 499 A CA 1.578 53.641 52.037 0.043 0.000 0.633 499 A CB -0.751 18.280 19.000 0.052 0.000 0.819 499 A HN 0.409 nan 8.150 nan 0.000 0.448 500 L N 0.257 121.510 121.223 0.050 0.000 1.988 500 L HA -0.115 4.225 4.340 0.000 0.000 0.207 500 L C 2.015 178.890 176.870 0.007 0.000 1.071 500 L CA 2.782 57.657 54.840 0.058 0.000 0.744 500 L CB -1.013 41.077 42.059 0.051 0.000 0.893 500 L HN 0.542 nan 8.230 nan 0.000 0.433 501 D N -0.807 119.575 120.400 -0.031 0.000 2.200 501 D HA -0.296 4.344 4.640 0.000 0.000 0.192 501 D C 2.159 178.444 176.300 -0.025 0.000 1.008 501 D CA 1.605 55.574 54.000 -0.053 0.000 0.872 501 D CB -0.024 40.743 40.800 -0.055 0.000 0.923 501 D HN 0.103 nan 8.370 nan 0.000 0.447 502 K N -0.016 120.384 120.400 0.000 0.000 1.977 502 K HA -0.180 4.140 4.320 0.000 0.000 0.218 502 K C 2.281 178.895 176.600 0.023 0.000 1.051 502 K CA 1.633 57.929 56.287 0.016 0.000 0.953 502 K CB -0.690 31.828 32.500 0.030 0.000 0.727 502 K HN 0.340 nan 8.250 nan 0.000 0.445 503 M N 0.690 120.320 119.600 0.051 0.000 2.073 503 M HA -0.223 4.258 4.480 0.000 0.000 0.258 503 M C 2.336 178.623 176.300 -0.021 0.000 1.070 503 M CA 1.700 57.047 55.300 0.080 0.000 1.103 503 M CB -0.569 32.153 32.600 0.203 0.000 1.321 503 M HN 0.067 nan 8.290 nan 0.000 0.405 504 L N 0.492 121.653 121.223 -0.103 0.000 2.349 504 L HA -0.224 4.116 4.340 0.000 0.000 0.220 504 L C 2.677 179.498 176.870 -0.081 0.000 1.130 504 L CA 1.103 55.841 54.840 -0.169 0.000 0.791 504 L CB -0.773 41.202 42.059 -0.141 0.000 0.918 504 L HN 0.523 nan 8.230 nan 0.000 0.444 505 Q N -1.031 118.747 119.800 -0.038 0.000 2.451 505 Q HA -0.138 4.202 4.340 0.000 0.000 0.206 505 Q C 1.214 177.217 176.000 0.005 0.000 0.947 505 Q CA 0.951 56.745 55.803 -0.015 0.000 0.937 505 Q CB -0.314 28.420 28.738 -0.006 0.000 1.025 505 Q HN 0.543 nan 8.270 nan 0.000 0.511 506 N N 0.202 118.908 118.700 0.010 0.000 2.214 506 N HA 0.163 4.903 4.740 0.000 0.000 0.214 506 N C -1.102 174.436 175.510 0.047 0.000 1.132 506 N CA -0.230 52.843 53.050 0.038 0.000 0.856 506 N CB 0.961 39.481 38.487 0.056 0.000 1.020 506 N HN -0.033 nan 8.380 nan 0.000 0.509 507 V N 1.398 121.322 119.914 0.017 0.000 2.495 507 V HA 0.190 4.310 4.120 0.000 0.000 0.298 507 V C 0.282 176.395 176.094 0.032 0.000 1.031 507 V CA -0.747 61.574 62.300 0.036 0.000 0.871 507 V CB 1.771 33.583 31.823 -0.019 0.000 0.988 507 V HN 0.149 nan 8.190 nan 0.000 0.432 508 Q N 3.662 123.498 119.800 0.059 0.000 2.634 508 Q HA 0.120 4.460 4.340 0.000 0.000 0.222 508 Q C 0.191 176.182 176.000 -0.015 0.000 1.004 508 Q CA -0.152 55.668 55.803 0.029 0.000 0.965 508 Q CB -0.123 28.655 28.738 0.067 0.000 1.586 508 Q HN 0.575 nan 8.270 nan 0.000 0.409 509 M N 2.174 121.760 119.600 -0.022 0.000 2.216 509 M HA -0.028 4.452 4.480 0.000 0.000 0.317 509 M C -1.796 174.448 176.300 -0.092 0.000 1.015 509 M CA -0.697 54.575 55.300 -0.047 0.000 1.045 509 M CB -0.700 31.873 32.600 -0.044 0.000 1.538 509 M HN 0.169 nan 8.290 nan 0.000 0.440 510 P HA 0.299 nan 4.420 nan 0.000 0.282 510 P C -0.881 176.335 177.300 -0.140 0.000 1.287 510 P CA -0.427 62.587 63.100 -0.144 0.000 0.792 510 P CB 0.792 32.395 31.700 -0.162 0.000 1.163 511 S N -1.257 114.343 115.700 -0.167 0.000 2.726 511 S HA 0.673 5.143 4.470 0.000 0.000 0.308 511 S C -0.618 173.882 174.600 -0.167 0.000 1.115 511 S CA -0.769 57.344 58.200 -0.144 0.000 0.965 511 S CB 1.740 64.851 63.200 -0.148 0.000 1.145 511 S HN 0.515 nan 8.310 nan 0.000 0.532 512 K N 0.420 120.743 120.400 -0.128 0.000 2.507 512 K HA 0.387 4.707 4.320 0.000 0.000 0.251 512 K C -1.644 174.897 176.600 -0.098 0.000 0.943 512 K CA -0.448 55.767 56.287 -0.120 0.000 0.794 512 K CB 1.512 33.966 32.500 -0.077 0.000 1.188 512 K HN 0.728 nan 8.250 nan 0.000 0.428 513 K N 6.202 126.532 120.400 -0.116 0.000 2.339 513 K HA 0.308 4.629 4.320 0.000 0.000 0.264 513 K C -1.446 175.133 176.600 -0.036 0.000 0.986 513 K CA -0.662 55.577 56.287 -0.080 0.000 0.866 513 K CB 1.022 33.447 32.500 -0.126 0.000 1.103 513 K HN 0.601 nan 8.250 nan 0.000 0.441 514 L N 4.828 126.048 121.223 -0.004 0.000 2.318 514 L HA 0.393 4.733 4.340 0.000 0.000 0.277 514 L C -1.303 175.600 176.870 0.055 0.000 1.008 514 L CA -0.124 54.736 54.840 0.033 0.000 0.846 514 L CB 1.003 43.122 42.059 0.100 0.000 1.220 514 L HN 0.883 nan 8.230 nan 0.000 0.423 515 D N 3.160 123.418 120.400 -0.237 0.000 3.076 515 D HA 0.568 5.208 4.640 0.000 0.000 0.301 515 D C -1.296 174.654 176.300 -0.583 0.000 1.260 515 D CA -0.072 53.763 54.000 -0.276 0.000 1.027 515 D CB 1.560 42.154 40.800 -0.343 0.000 1.370 515 D HN 0.241 nan 8.370 nan 0.000 0.602 516 F N -0.429 119.154 119.950 -0.612 0.000 2.692 516 F HA 0.737 5.264 4.527 0.000 0.000 0.320 516 F C -1.073 174.828 175.800 0.169 0.000 1.123 516 F CA -1.097 56.686 58.000 -0.362 0.000 0.961 516 F CB 0.805 39.166 39.000 -1.065 0.000 1.383 516 F HN 0.378 nan 8.300 nan 0.000 0.483 517 I N -0.449 120.394 120.570 0.455 0.000 3.174 517 I HA 0.754 4.924 4.170 0.000 0.000 0.313 517 I C -1.607 174.758 176.117 0.414 0.000 1.155 517 I CA -1.313 60.171 61.300 0.306 0.000 0.977 517 I CB 2.613 40.745 38.000 0.220 0.000 1.248 517 I HN 0.662 nan 8.210 nan 0.000 0.453 518 I N 3.058 123.796 120.570 0.281 0.000 2.603 518 I HA 0.539 4.709 4.170 0.000 0.000 0.300 518 I C -0.972 175.296 176.117 0.251 0.000 1.017 518 I CA -0.806 60.666 61.300 0.287 0.000 1.098 518 I CB 2.121 40.243 38.000 0.204 0.000 1.279 518 I HN 0.379 nan 8.210 nan 0.000 0.437 519 L N 4.841 126.267 121.223 0.338 0.000 2.476 519 L HA 0.382 4.722 4.340 0.000 0.000 0.269 519 L C -0.310 176.701 176.870 0.236 0.000 0.965 519 L CA -0.677 54.312 54.840 0.248 0.000 0.845 519 L CB 1.704 43.886 42.059 0.205 0.000 1.259 519 L HN 0.705 nan 8.230 nan 0.000 0.403 520 N N 4.080 122.853 118.700 0.121 0.000 2.686 520 N HA -0.239 4.501 4.740 0.000 0.000 0.261 520 N C 0.148 175.715 175.510 0.094 0.000 1.001 520 N CA 0.557 53.659 53.050 0.087 0.000 0.764 520 N CB -0.248 38.279 38.487 0.065 0.000 0.898 520 N HN 0.812 nan 8.380 nan 0.000 0.544 521 E N -3.492 116.758 120.200 0.083 0.000 4.120 521 E HA -0.215 4.135 4.350 0.000 0.000 0.179 521 E C 0.249 176.876 176.600 0.046 0.000 1.167 521 E CA 1.953 58.387 56.400 0.055 0.000 2.466 521 E CB -1.496 28.223 29.700 0.031 0.000 1.740 521 E HN 0.534 nan 8.360 nan 0.000 0.469 522 T N 4.157 118.733 114.554 0.038 0.000 2.939 522 T HA 0.167 4.517 4.350 0.000 0.000 0.319 522 T C 0.597 175.207 174.700 -0.149 0.000 1.082 522 T CA 1.002 63.037 62.100 -0.109 0.000 1.133 522 T CB 0.257 69.002 68.868 -0.205 0.000 1.019 522 T HN 0.218 nan 8.240 nan 0.000 0.548 523 K N 1.808 122.005 120.400 -0.339 0.000 2.206 523 K HA 0.605 4.925 4.320 0.000 0.000 0.264 523 K C -1.381 174.956 176.600 -0.437 0.000 0.967 523 K CA -0.745 55.413 56.287 -0.215 0.000 0.844 523 K CB 1.050 33.358 32.500 -0.319 0.000 1.099 523 K HN 0.296 nan 8.250 nan 0.000 0.441 524 F N 1.751 121.807 119.950 0.177 0.000 2.467 524 F HA 0.377 4.905 4.527 0.000 0.000 0.336 524 F C -0.439 175.558 175.800 0.329 0.000 1.123 524 F CA -0.790 57.346 58.000 0.227 0.000 0.964 524 F CB 0.840 39.980 39.000 0.233 0.000 1.136 524 F HN 0.528 nan 8.300 nan 0.000 0.447 525 W N 3.212 124.741 121.300 0.381 0.000 2.093 525 W HA 0.434 5.094 4.660 0.000 0.000 0.352 525 W C -0.473 176.366 176.519 0.534 0.000 1.294 525 W CA -0.023 57.553 57.345 0.385 0.000 1.290 525 W CB 0.241 29.823 29.460 0.202 0.000 1.149 525 W HN 0.485 nan 8.180 nan 0.000 0.606 526 Y N -1.210 119.490 120.300 0.667 0.000 2.662 526 Y HA 0.471 5.021 4.550 0.000 0.000 0.334 526 Y C -1.404 174.737 175.900 0.402 0.000 1.185 526 Y CA -2.032 56.424 58.100 0.592 0.000 1.074 526 Y CB 0.679 39.634 38.460 0.825 0.000 1.330 526 Y HN 0.568 nan 8.280 nan 0.000 0.458 527 Q N 2.655 122.751 119.800 0.492 0.000 2.359 527 Q HA 0.787 5.127 4.340 0.000 0.000 0.274 527 Q C -1.787 174.338 176.000 0.207 0.000 1.074 527 Q CA -1.189 54.762 55.803 0.247 0.000 0.810 527 Q CB 3.440 32.273 28.738 0.158 0.000 1.342 527 Q HN 0.825 nan 8.270 nan 0.000 0.427 528 M N 2.639 122.283 119.600 0.072 0.000 2.326 528 M HA 0.465 4.945 4.480 0.000 0.000 0.306 528 M C -1.129 175.083 176.300 -0.147 0.000 1.054 528 M CA -0.933 54.324 55.300 -0.072 0.000 0.922 528 M CB 2.081 34.584 32.600 -0.162 0.000 1.632 528 M HN 0.593 nan 8.290 nan 0.000 0.436 529 I N 5.213 125.689 120.570 -0.157 0.000 2.301 529 I HA 0.350 4.520 4.170 0.000 0.000 0.292 529 I C -0.392 175.555 176.117 -0.284 0.000 1.046 529 I CA -0.243 60.944 61.300 -0.188 0.000 1.282 529 I CB 0.258 38.169 38.000 -0.150 0.000 1.409 529 I HN 0.633 nan 8.210 nan 0.000 0.484 530 L N 8.150 129.153 121.223 -0.367 0.000 2.325 530 L HA 0.477 4.818 4.340 0.000 0.000 0.279 530 L C -2.251 174.413 176.870 -0.343 0.000 1.054 530 L CA -1.874 52.651 54.840 -0.525 0.000 0.804 530 L CB 1.202 42.748 42.059 -0.854 0.000 1.200 530 L HN 0.243 nan 8.230 nan 0.000 0.436 531 P HA 0.138 nan 4.420 nan 0.000 0.270 531 P C -2.526 174.720 177.300 -0.090 0.000 1.223 531 P CA -1.061 61.968 63.100 -0.118 0.000 0.785 531 P CB -0.054 31.660 31.700 0.023 0.000 0.923 532 P HA 0.025 nan 4.420 nan 0.000 0.271 532 P C -0.611 176.568 177.300 -0.202 0.000 1.216 532 P CA 0.677 63.609 63.100 -0.280 0.000 0.771 532 P CB -0.130 31.376 31.700 -0.324 0.000 0.864 533 H N -0.233 118.881 119.070 0.073 0.000 2.748 533 H HA -0.203 4.353 4.556 0.000 0.000 0.322 533 H C -0.024 175.379 175.328 0.126 0.000 1.208 533 H CA -0.097 55.998 56.048 0.078 0.000 1.151 533 H CB -2.197 27.600 29.762 0.057 0.000 1.505 533 H HN 0.375 nan 8.280 nan 0.000 0.429 534 F N 2.126 122.069 119.950 -0.012 0.000 2.563 534 F HA 0.259 4.786 4.527 0.000 0.000 0.363 534 F C 0.473 176.281 175.800 0.013 0.000 1.123 534 F CA -0.239 57.707 58.000 -0.089 0.000 1.307 534 F CB 0.709 39.539 39.000 -0.283 0.000 1.115 534 F HN 0.250 nan 8.300 nan 0.000 0.592 535 D N 5.190 125.220 120.400 -0.617 0.000 2.542 535 D HA 0.134 4.774 4.640 0.000 0.000 0.252 535 D C 0.252 176.152 176.300 -0.667 0.000 1.222 535 D CA -0.579 53.139 54.000 -0.470 0.000 0.895 535 D CB 1.328 42.057 40.800 -0.117 0.000 1.207 535 D HN 0.697 nan 8.370 nan 0.000 0.558 536 K N 1.348 121.363 120.400 -0.641 0.000 2.585 536 K HA -0.080 4.240 4.320 0.000 0.000 0.194 536 K C 0.990 177.580 176.600 -0.017 0.000 1.037 536 K CA 1.174 57.284 56.287 -0.294 0.000 0.964 536 K CB 0.034 32.492 32.500 -0.071 0.000 0.787 536 K HN 0.200 nan 8.250 nan 0.000 0.488 537 S N 0.384 116.049 115.700 -0.060 0.000 2.444 537 S HA -0.032 4.439 4.470 0.000 0.000 0.223 537 S C 0.822 175.421 174.600 -0.001 0.000 1.054 537 S CA -0.328 57.864 58.200 -0.012 0.000 0.947 537 S CB -0.263 62.916 63.200 -0.034 0.000 0.850 537 S HN 0.335 nan 8.310 nan 0.000 0.527 538 K N 2.318 122.696 120.400 -0.036 0.000 2.448 538 K HA 0.050 4.370 4.320 0.000 0.000 0.278 538 K C -0.749 175.837 176.600 -0.025 0.000 1.009 538 K CA 0.030 56.256 56.287 -0.100 0.000 0.995 538 K CB 0.352 32.712 32.500 -0.234 0.000 0.917 538 K HN 0.068 nan 8.250 nan 0.000 0.481 539 K N 3.890 124.246 120.400 -0.075 0.000 2.227 539 K HA 0.171 4.491 4.320 0.000 0.000 0.280 539 K C -0.876 175.687 176.600 -0.062 0.000 1.041 539 K CA -0.292 56.016 56.287 0.036 0.000 0.905 539 K CB 0.703 33.199 32.500 -0.006 0.000 1.068 539 K HN 0.403 nan 8.250 nan 0.000 0.470 540 Y N 2.636 122.969 120.300 0.055 0.000 2.487 540 Y HA 0.306 4.856 4.550 0.000 0.000 0.337 540 Y C -1.830 174.006 175.900 -0.107 0.000 1.076 540 Y CA -2.609 55.488 58.100 -0.005 0.000 1.115 540 Y CB 1.001 39.505 38.460 0.074 0.000 1.235 540 Y HN 0.458 nan 8.280 nan 0.000 0.468 541 P HA 0.195 nan 4.420 nan 0.000 0.275 541 P C -1.113 175.975 177.300 -0.353 0.000 1.228 541 P CA -0.198 62.594 63.100 -0.514 0.000 0.786 541 P CB 1.701 32.737 31.700 -1.106 0.000 0.927 542 L N 4.045 125.118 121.223 -0.250 0.000 2.356 542 L HA 0.469 4.810 4.340 0.000 0.000 0.277 542 L C -1.101 175.890 176.870 0.200 0.000 0.996 542 L CA -1.253 53.582 54.840 -0.007 0.000 0.822 542 L CB 1.590 43.681 42.059 0.053 0.000 1.256 542 L HN 0.183 nan 8.230 nan 0.000 0.413 543 L N 6.206 127.582 121.223 0.255 0.000 2.277 543 L HA 0.430 4.771 4.340 0.000 0.000 0.284 543 L C -1.055 176.059 176.870 0.407 0.000 1.028 543 L CA -0.345 54.748 54.840 0.422 0.000 0.835 543 L CB 1.357 43.642 42.059 0.378 0.000 1.215 543 L HN 0.631 nan 8.230 nan 0.000 0.425 544 L N 5.169 126.682 121.223 0.484 0.000 2.369 544 L HA 0.337 4.677 4.340 0.000 0.000 0.279 544 L C -0.271 176.850 176.870 0.417 0.000 1.108 544 L CA 0.512 55.618 54.840 0.444 0.000 0.852 544 L CB 0.253 42.623 42.059 0.519 0.000 1.169 544 L HN 0.638 nan 8.230 nan 0.000 0.452 545 D N 4.654 125.261 120.400 0.345 0.000 2.313 545 D HA 0.315 4.956 4.640 0.000 0.000 0.239 545 D C -1.027 175.341 176.300 0.113 0.000 1.142 545 D CA 0.037 54.147 54.000 0.183 0.000 0.847 545 D CB 1.383 42.371 40.800 0.313 0.000 1.082 545 D HN 0.401 nan 8.370 nan 0.000 0.480 546 V N 4.970 124.874 119.914 -0.017 0.000 3.078 546 V HA 0.479 4.599 4.120 0.000 0.000 0.311 546 V C -1.277 174.915 176.094 0.163 0.000 1.138 546 V CA -0.450 61.921 62.300 0.118 0.000 1.007 546 V CB 2.057 33.976 31.823 0.160 0.000 1.045 546 V HN 0.619 nan 8.190 nan 0.000 0.432 547 Y N 4.353 124.722 120.300 0.115 0.000 2.912 547 Y HA 0.552 5.102 4.550 0.000 0.000 0.250 547 Y C 1.602 177.633 175.900 0.218 0.000 1.073 547 Y CA 1.190 59.389 58.100 0.164 0.000 1.275 547 Y CB 0.094 38.631 38.460 0.128 0.000 1.470 547 Y HN 1.391 nan 8.280 nan 0.000 0.447 548 A N 1.266 124.191 122.820 0.177 0.000 2.744 548 A HA -0.159 4.161 4.320 0.000 0.000 0.300 548 A C 0.915 178.343 177.584 -0.260 0.000 1.512 548 A CA 1.129 53.203 52.037 0.061 0.000 0.851 548 A CB -2.186 16.908 19.000 0.157 0.000 0.987 548 A HN 0.837 nan 8.150 nan 0.000 0.507 549 G N -0.509 107.968 108.800 -0.539 0.000 2.476 549 G HA2 0.566 4.526 3.960 0.000 0.000 0.286 549 G HA3 0.566 4.526 3.960 0.000 0.000 0.286 549 G C -1.951 172.675 174.900 -0.457 0.000 1.177 549 G CA -1.126 43.340 45.100 -1.056 0.000 0.870 549 G HN 0.358 nan 8.290 nan 0.000 0.528 550 P HA -0.029 nan 4.420 nan 0.000 0.255 550 P C 0.519 177.707 177.300 -0.186 0.000 1.173 550 P CA 0.449 63.336 63.100 -0.355 0.000 0.780 550 P CB 0.288 31.477 31.700 -0.851 0.000 0.758 551 C N 2.890 122.132 119.300 -0.097 0.000 4.674 551 C HA -0.103 4.357 4.460 0.000 0.000 0.304 551 C C 0.602 175.572 174.990 -0.033 0.000 1.240 551 C CA 0.846 59.749 59.018 -0.190 0.000 2.187 551 C CB -2.585 24.917 27.740 -0.397 0.000 1.202 551 C HN 0.795 nan 8.230 nan 0.000 0.756 552 S N 0.239 115.985 115.700 0.077 0.000 2.664 552 S HA 0.774 5.244 4.470 0.000 0.000 0.304 552 S C -0.783 173.965 174.600 0.247 0.000 1.099 552 S CA -0.182 58.169 58.200 0.251 0.000 1.003 552 S CB 1.949 65.365 63.200 0.359 0.000 1.092 552 S HN 0.870 nan 8.310 nan 0.000 0.525 553 Q N 0.208 120.195 119.800 0.311 0.000 2.878 553 Q HA 0.324 4.664 4.340 0.000 0.000 0.232 553 Q C -0.634 175.506 176.000 0.233 0.000 0.893 553 Q CA -0.512 55.465 55.803 0.290 0.000 0.742 553 Q CB 0.760 29.730 28.738 0.387 0.000 1.354 553 Q HN 0.622 nan 8.270 nan 0.000 0.466 554 K N 0.586 121.121 120.400 0.224 0.000 2.444 554 K HA 0.270 4.590 4.320 0.000 0.000 0.193 554 K C -0.260 176.458 176.600 0.196 0.000 1.024 554 K CA 0.293 56.700 56.287 0.200 0.000 1.077 554 K CB 0.984 33.621 32.500 0.229 0.000 0.833 554 K HN 0.453 nan 8.250 nan 0.000 0.517 555 A N 2.479 125.427 122.820 0.212 0.000 2.328 555 A HA 0.439 4.759 4.320 0.000 0.000 0.318 555 A C -0.889 176.786 177.584 0.152 0.000 1.347 555 A CA -0.698 51.467 52.037 0.212 0.000 0.842 555 A CB 0.298 19.485 19.000 0.312 0.000 1.148 555 A HN 0.219 nan 8.150 nan 0.000 0.499 556 D N -0.094 120.368 120.400 0.103 0.000 2.752 556 D HA 0.463 5.103 4.640 0.000 0.000 0.313 556 D C 0.389 176.714 176.300 0.043 0.000 1.225 556 D CA 0.239 54.292 54.000 0.089 0.000 0.976 556 D CB 0.427 41.297 40.800 0.117 0.000 1.443 556 D HN 0.171 nan 8.370 nan 0.000 0.515 557 T N -2.242 112.357 114.554 0.076 0.000 3.244 557 T HA 0.342 4.692 4.350 0.000 0.000 0.254 557 T C 0.261 174.914 174.700 -0.078 0.000 1.024 557 T CA -0.416 61.709 62.100 0.042 0.000 0.920 557 T CB -0.777 68.163 68.868 0.120 0.000 1.042 557 T HN 0.254 nan 8.240 nan 0.000 0.572 558 V N 2.268 122.023 119.914 -0.265 0.000 2.649 558 V HA 0.381 4.501 4.120 0.000 0.000 0.292 558 V C -0.023 176.002 176.094 -0.115 0.000 1.055 558 V CA -1.009 61.086 62.300 -0.340 0.000 1.023 558 V CB 0.535 32.041 31.823 -0.528 0.000 0.992 558 V HN 0.586 nan 8.190 nan 0.000 0.480 559 F N 6.057 125.899 119.950 -0.181 0.000 2.404 559 F HA 0.550 5.077 4.527 0.000 0.000 0.358 559 F C 0.456 176.195 175.800 -0.102 0.000 1.120 559 F CA -0.267 57.659 58.000 -0.123 0.000 1.144 559 F CB 0.219 39.158 39.000 -0.102 0.000 1.133 559 F HN 0.410 nan 8.300 nan 0.000 0.495 560 R N 5.833 125.904 120.500 -0.715 0.000 2.686 560 R HA 0.577 4.917 4.340 0.000 0.000 0.286 560 R C -1.842 174.013 176.300 -0.742 0.000 0.969 560 R CA -1.307 54.472 56.100 -0.534 0.000 0.898 560 R CB 2.138 32.275 30.300 -0.272 0.000 1.183 560 R HN 0.542 nan 8.270 nan 0.000 0.456 561 L N 4.199 125.155 121.223 -0.444 0.000 2.384 561 L HA 0.317 4.657 4.340 0.000 0.000 0.261 561 L C -1.029 175.747 176.870 -0.157 0.000 1.024 561 L CA -0.276 54.339 54.840 -0.374 0.000 0.899 561 L CB 0.393 42.391 42.059 -0.103 0.000 1.243 561 L HN 0.755 nan 8.230 nan 0.000 0.449 562 N N 0.557 119.077 118.700 -0.300 0.000 3.439 562 N HA 0.194 4.934 4.740 0.000 0.000 0.343 562 N C 0.416 175.523 175.510 -0.671 0.000 1.597 562 N CA -0.758 51.984 53.050 -0.513 0.000 0.733 562 N CB -0.238 38.077 38.487 -0.288 0.000 1.973 562 N HN 0.213 nan 8.380 nan 0.000 0.646 563 W N 0.467 121.069 121.300 -1.162 0.000 2.350 563 W HA 0.147 4.808 4.660 0.000 0.000 0.289 563 W C 1.945 178.424 176.519 -0.067 0.000 1.215 563 W CA 2.597 59.601 57.345 -0.569 0.000 1.236 563 W CB -0.911 28.330 29.460 -0.365 0.000 1.130 563 W HN 0.674 nan 8.180 nan 0.000 0.541 564 A N -0.617 122.142 122.820 -0.102 0.000 1.969 564 A HA -0.163 4.157 4.320 0.000 0.000 0.218 564 A C 1.949 179.421 177.584 -0.187 0.000 1.169 564 A CA 2.238 54.172 52.037 -0.171 0.000 0.635 564 A CB -1.202 17.780 19.000 -0.031 0.000 0.810 564 A HN 0.277 nan 8.150 nan 0.000 0.445 565 T N -1.127 113.310 114.554 -0.194 0.000 2.652 565 T HA -0.209 4.141 4.350 0.000 0.000 0.267 565 T C 1.792 176.481 174.700 -0.019 0.000 1.039 565 T CA 1.800 63.751 62.100 -0.249 0.000 1.153 565 T CB -0.532 67.965 68.868 -0.620 0.000 0.863 565 T HN 0.688 nan 8.240 nan 0.000 0.428 566 Y N 2.131 122.493 120.300 0.103 0.000 2.070 566 Y HA -0.140 4.410 4.550 0.000 0.000 0.280 566 Y C 2.069 177.972 175.900 0.005 0.000 1.148 566 Y CA 1.189 59.421 58.100 0.220 0.000 1.125 566 Y CB -0.795 37.817 38.460 0.253 0.000 0.975 566 Y HN 0.096 nan 8.280 nan 0.000 0.492 567 L N 0.586 121.566 121.223 -0.405 0.000 1.997 567 L HA -0.342 3.998 4.340 0.000 0.000 0.216 567 L C 2.896 179.554 176.870 -0.353 0.000 1.074 567 L CA 1.699 56.205 54.840 -0.557 0.000 0.763 567 L CB -1.206 40.552 42.059 -0.501 0.000 0.890 567 L HN 0.482 nan 8.230 nan 0.000 0.434 568 A N -1.163 121.514 122.820 -0.238 0.000 1.855 568 A HA -0.221 4.099 4.320 0.000 0.000 0.215 568 A C 2.519 180.028 177.584 -0.126 0.000 1.191 568 A CA 2.007 53.944 52.037 -0.166 0.000 0.613 568 A CB -0.801 18.097 19.000 -0.171 0.000 0.829 568 A HN 0.383 nan 8.150 nan 0.000 0.442 569 S N -1.540 114.097 115.700 -0.104 0.000 2.423 569 S HA -0.086 4.385 4.470 0.000 0.000 0.231 569 S C 1.694 176.277 174.600 -0.028 0.000 1.014 569 S CA 2.077 60.255 58.200 -0.035 0.000 0.965 569 S CB -0.272 62.957 63.200 0.048 0.000 0.785 569 S HN 0.572 nan 8.310 nan 0.000 0.495 570 T N 0.511 114.988 114.554 -0.129 0.000 2.978 570 T HA 0.255 4.606 4.350 0.000 0.000 0.248 570 T C 0.890 175.481 174.700 -0.182 0.000 1.018 570 T CA 0.042 62.061 62.100 -0.135 0.000 1.026 570 T CB 0.176 68.964 68.868 -0.134 0.000 1.032 570 T HN 0.266 nan 8.240 nan 0.000 0.485 571 E N 1.385 121.415 120.200 -0.284 0.000 2.548 571 E HA 0.220 4.570 4.350 0.000 0.000 0.206 571 E C -0.324 176.233 176.600 -0.072 0.000 1.005 571 E CA -0.214 56.081 56.400 -0.175 0.000 0.951 571 E CB -0.146 29.412 29.700 -0.237 0.000 1.035 571 E HN 0.318 nan 8.360 nan 0.000 0.470 572 N N 1.184 119.861 118.700 -0.040 0.000 2.678 572 N HA -0.200 4.540 4.740 0.000 0.000 0.268 572 N C -1.087 174.489 175.510 0.111 0.000 1.010 572 N CA 0.636 53.734 53.050 0.080 0.000 0.784 572 N CB -1.001 37.565 38.487 0.132 0.000 0.905 572 N HN 0.293 nan 8.380 nan 0.000 0.552 573 I N 0.710 121.280 120.570 -0.000 0.000 2.498 573 I HA 0.352 4.522 4.170 0.000 0.000 0.290 573 I C 0.262 176.335 176.117 -0.072 0.000 1.032 573 I CA -0.910 60.373 61.300 -0.028 0.000 1.073 573 I CB 1.611 39.581 38.000 -0.049 0.000 1.251 573 I HN 0.013 nan 8.210 nan 0.000 0.426 574 I N 6.440 126.969 120.570 -0.069 0.000 2.396 574 I HA 0.147 4.317 4.170 0.000 0.000 0.289 574 I C -0.284 175.796 176.117 -0.062 0.000 1.056 574 I CA -0.385 60.838 61.300 -0.128 0.000 1.365 574 I CB 0.840 38.757 38.000 -0.139 0.000 1.407 574 I HN 0.187 nan 8.210 nan 0.000 0.509 575 V N 6.860 126.733 119.914 -0.069 0.000 2.328 575 V HA 0.617 4.737 4.120 0.000 0.000 0.278 575 V C 0.446 176.556 176.094 0.027 0.000 1.021 575 V CA -0.414 61.901 62.300 0.025 0.000 0.838 575 V CB 1.004 32.843 31.823 0.027 0.000 0.999 575 V HN 0.845 nan 8.190 nan 0.000 0.447 576 A N 4.060 126.921 122.820 0.069 0.000 2.330 576 A HA 0.957 5.277 4.320 0.000 0.000 0.329 576 A C -0.141 177.574 177.584 0.219 0.000 1.135 576 A CA -0.525 51.543 52.037 0.053 0.000 0.817 576 A CB 1.768 20.634 19.000 -0.224 0.000 1.269 576 A HN 0.675 nan 8.150 nan 0.000 0.469 577 S N -0.563 115.315 115.700 0.298 0.000 2.569 577 S HA 0.762 5.232 4.470 0.000 0.000 0.280 577 S C -1.614 173.350 174.600 0.607 0.000 1.111 577 S CA -0.283 58.153 58.200 0.394 0.000 0.887 577 S CB 1.399 64.777 63.200 0.297 0.000 1.095 577 S HN 0.905 nan 8.310 nan 0.000 0.476 578 F N 2.012 122.207 119.950 0.409 0.000 2.607 578 F HA 0.408 4.935 4.527 0.000 0.000 0.322 578 F C -1.740 174.275 175.800 0.359 0.000 1.176 578 F CA -0.745 57.528 58.000 0.455 0.000 0.977 578 F CB 1.334 40.591 39.000 0.429 0.000 1.242 578 F HN 0.399 nan 8.300 nan 0.000 0.465 579 D N 5.280 125.539 120.400 -0.234 0.000 2.479 579 D HA 0.335 4.975 4.640 0.000 0.000 0.218 579 D C 0.541 176.562 176.300 -0.464 0.000 1.131 579 D CA 0.166 54.055 54.000 -0.185 0.000 0.916 579 D CB 1.348 42.195 40.800 0.079 0.000 1.022 579 D HN 0.752 nan 8.370 nan 0.000 0.515 580 G N 1.262 109.748 108.800 -0.523 0.000 2.714 580 G HA2 0.204 4.164 3.960 0.000 0.000 0.197 580 G HA3 0.204 4.164 3.960 0.000 0.000 0.197 580 G C 0.281 175.193 174.900 0.020 0.000 1.449 580 G CA -0.587 44.292 45.100 -0.368 0.000 1.065 580 G HN 0.252 nan 8.290 nan 0.000 0.575 581 R N -0.760 119.734 120.500 -0.010 0.000 2.619 581 R HA 0.360 4.700 4.340 0.000 0.000 0.268 581 R C 1.444 177.829 176.300 0.142 0.000 0.990 581 R CA 1.936 58.117 56.100 0.135 0.000 1.092 581 R CB 0.236 30.610 30.300 0.125 0.000 0.935 581 R HN 1.285 nan 8.270 nan 0.000 0.415 582 G N 1.119 110.003 108.800 0.140 0.000 2.253 582 G HA2 -0.341 3.619 3.960 0.000 0.000 0.251 582 G HA3 -0.341 3.619 3.960 0.000 0.000 0.251 582 G C 0.131 175.056 174.900 0.041 0.000 0.998 582 G CA 0.392 45.557 45.100 0.108 0.000 0.621 582 G HN 0.874 nan 8.290 nan 0.000 0.524 583 S N 0.353 116.078 115.700 0.042 0.000 2.589 583 S HA 0.635 5.105 4.470 0.000 0.000 0.265 583 S C 0.920 175.475 174.600 -0.076 0.000 1.342 583 S CA 0.564 58.772 58.200 0.013 0.000 1.005 583 S CB 1.670 64.909 63.200 0.064 0.000 0.909 583 S HN 1.691 nan 8.310 nan 0.000 0.555 584 G N -0.822 107.863 108.800 -0.192 0.000 2.613 584 G HA2 0.492 4.452 3.960 0.000 0.000 0.303 584 G HA3 0.492 4.452 3.960 0.000 0.000 0.303 584 G C -1.007 173.632 174.900 -0.436 0.000 1.312 584 G CA -1.010 43.789 45.100 -0.500 0.000 1.036 584 G HN 0.966 nan 8.290 nan 0.000 0.513 585 Y N -2.267 118.020 120.300 -0.022 0.000 4.177 585 Y HA -0.205 4.345 4.550 0.000 0.000 0.227 585 Y C 1.219 177.102 175.900 -0.028 0.000 1.154 585 Y CA 0.991 59.081 58.100 -0.016 0.000 1.887 585 Y CB -2.322 36.150 38.460 0.020 0.000 1.594 585 Y HN 0.553 nan 8.280 nan 0.000 0.668 586 Q N -0.521 119.251 119.800 -0.047 0.000 2.028 586 Q HA 0.494 4.834 4.340 0.000 0.000 0.207 586 Q C 0.826 176.597 176.000 -0.382 0.000 0.776 586 Q CA 0.187 55.950 55.803 -0.065 0.000 1.015 586 Q CB 1.767 30.488 28.738 -0.030 0.000 1.215 586 Q HN 0.663 nan 8.270 nan 0.000 0.445 587 G N 0.732 109.190 108.800 -0.569 0.000 2.675 587 G HA2 -0.168 3.792 3.960 0.000 0.000 0.686 587 G HA3 -0.168 3.792 3.960 0.000 0.000 0.686 587 G C -0.483 174.030 174.900 -0.645 0.000 1.215 587 G CA -0.523 44.007 45.100 -0.950 0.000 0.777 587 G HN 0.067 nan 8.290 nan 0.000 0.638 588 D N 0.267 120.271 120.400 -0.660 0.000 2.218 588 D HA -0.069 4.571 4.640 0.000 0.000 0.204 588 D C 2.371 178.402 176.300 -0.447 0.000 0.976 588 D CA 1.019 54.572 54.000 -0.746 0.000 0.853 588 D CB 0.085 40.403 40.800 -0.803 0.000 0.939 588 D HN 0.405 nan 8.370 nan 0.000 0.481 589 K N 0.478 120.677 120.400 -0.336 0.000 2.089 589 K HA -0.148 4.172 4.320 0.000 0.000 0.210 589 K C 1.942 178.471 176.600 -0.118 0.000 1.048 589 K CA 0.765 56.943 56.287 -0.183 0.000 0.926 589 K CB -0.131 32.270 32.500 -0.164 0.000 0.714 589 K HN 0.210 nan 8.250 nan 0.000 0.448 590 I N 0.365 120.845 120.570 -0.149 0.000 2.260 590 I HA -0.176 3.994 4.170 0.000 0.000 0.237 590 I C 2.557 178.662 176.117 -0.020 0.000 1.075 590 I CA 0.773 62.056 61.300 -0.027 0.000 1.376 590 I CB -1.062 36.924 38.000 -0.024 0.000 1.107 590 I HN 0.200 nan 8.210 nan 0.000 0.420 591 M N 0.223 119.742 119.600 -0.135 0.000 2.195 591 M HA -0.251 4.229 4.480 0.000 0.000 0.260 591 M C 1.816 178.162 176.300 0.077 0.000 1.066 591 M CA 1.952 57.198 55.300 -0.090 0.000 1.089 591 M CB -0.351 32.087 32.600 -0.271 0.000 1.377 591 M HN 0.316 nan 8.290 nan 0.000 0.411 592 H N -1.418 117.577 119.070 -0.126 0.000 2.551 592 H HA 0.235 4.791 4.556 0.000 0.000 0.271 592 H C 1.773 177.129 175.328 0.045 0.000 0.984 592 H CA 0.117 56.098 56.048 -0.111 0.000 1.164 592 H CB 0.283 29.876 29.762 -0.282 0.000 1.437 592 H HN 0.485 nan 8.280 nan 0.000 0.550 593 A N 1.504 124.434 122.820 0.184 0.000 2.076 593 A HA -0.143 4.177 4.320 0.000 0.000 0.220 593 A C 1.737 179.565 177.584 0.406 0.000 1.160 593 A CA 1.234 53.392 52.037 0.203 0.000 0.653 593 A CB -0.601 18.465 19.000 0.109 0.000 0.801 593 A HN 0.475 nan 8.150 nan 0.000 0.455 594 I N -2.942 117.827 120.570 0.332 0.000 3.877 594 I HA 0.232 4.402 4.170 0.000 0.000 0.332 594 I C 0.051 176.262 176.117 0.157 0.000 1.525 594 I CA -1.034 60.408 61.300 0.238 0.000 1.146 594 I CB -0.466 37.636 38.000 0.170 0.000 1.137 594 I HN 0.147 nan 8.210 nan 0.000 0.424 595 N N 3.033 121.856 118.700 0.205 0.000 2.447 595 N HA -0.013 4.727 4.740 0.000 0.000 0.263 595 N C 0.268 175.790 175.510 0.019 0.000 1.226 595 N CA 0.249 53.405 53.050 0.177 0.000 0.906 595 N CB 0.357 38.899 38.487 0.092 0.000 1.060 595 N HN 0.448 nan 8.380 nan 0.000 0.468 596 R N 1.240 121.725 120.500 -0.024 0.000 3.875 596 R HA -0.147 4.193 4.340 0.000 0.000 0.321 596 R C -0.320 175.786 176.300 -0.324 0.000 1.196 596 R CA 0.620 56.644 56.100 -0.127 0.000 0.868 596 R CB -0.753 29.496 30.300 -0.085 0.000 1.333 596 R HN 0.648 nan 8.270 nan 0.000 0.522 597 R N 0.132 120.438 120.500 -0.322 0.000 2.522 597 R HA 0.210 4.550 4.340 0.000 0.000 0.373 597 R C -0.287 175.944 176.300 -0.114 0.000 1.062 597 R CA -0.286 55.454 56.100 -0.601 0.000 1.167 597 R CB 0.313 30.292 30.300 -0.535 0.000 1.378 597 R HN 0.098 nan 8.270 nan 0.000 0.662 598 L N 0.203 121.438 121.223 0.021 0.000 2.506 598 L HA 0.085 4.425 4.340 0.000 0.000 0.281 598 L C 1.303 178.385 176.870 0.354 0.000 1.228 598 L CA 1.328 56.225 54.840 0.094 0.000 0.850 598 L CB 0.297 42.190 42.059 -0.276 0.000 1.110 598 L HN 0.685 nan 8.230 nan 0.000 0.496 599 G N 1.236 110.261 108.800 0.376 0.000 2.171 599 G HA2 -0.260 3.700 3.960 0.000 0.000 0.238 599 G HA3 -0.260 3.700 3.960 0.000 0.000 0.238 599 G C 0.388 175.342 174.900 0.090 0.000 1.039 599 G CA 0.472 45.732 45.100 0.267 0.000 0.759 599 G HN 0.882 nan 8.290 nan 0.000 0.501 600 T N -3.826 110.723 114.554 -0.009 0.000 3.364 600 T HA 0.474 4.824 4.350 0.000 0.000 0.179 600 T C 1.658 176.262 174.700 -0.159 0.000 0.939 600 T CA 0.980 62.958 62.100 -0.204 0.000 1.094 600 T CB 0.041 68.579 68.868 -0.550 0.000 1.532 600 T HN 0.185 nan 8.240 nan 0.000 0.346 601 F N 3.536 123.523 119.950 0.062 0.000 2.075 601 F HA 0.093 4.620 4.527 0.000 0.000 0.297 601 F C 2.878 178.709 175.800 0.052 0.000 1.113 601 F CA 1.268 59.293 58.000 0.041 0.000 1.218 601 F CB -0.900 38.118 39.000 0.031 0.000 0.984 601 F HN 0.462 nan 8.300 nan 0.000 0.472 602 E N 1.231 121.576 120.200 0.243 0.000 2.147 602 E HA -0.190 4.160 4.350 0.000 0.000 0.199 602 E C 2.107 178.807 176.600 0.168 0.000 1.005 602 E CA 1.964 58.479 56.400 0.192 0.000 0.810 602 E CB -1.372 28.443 29.700 0.192 0.000 0.736 602 E HN 0.322 nan 8.360 nan 0.000 0.460 603 V N 1.816 121.803 119.914 0.122 0.000 2.283 603 V HA -0.224 3.897 4.120 0.000 0.000 0.243 603 V C 2.482 178.616 176.094 0.068 0.000 1.039 603 V CA 2.158 64.490 62.300 0.054 0.000 1.016 603 V CB -0.676 31.131 31.823 -0.027 0.000 0.650 603 V HN 0.214 nan 8.190 nan 0.000 0.449 604 E N 0.424 120.677 120.200 0.088 0.000 2.023 604 E HA -0.260 4.091 4.350 0.000 0.000 0.196 604 E C 1.966 178.613 176.600 0.078 0.000 1.003 604 E CA 1.644 58.096 56.400 0.088 0.000 0.809 604 E CB -0.328 29.455 29.700 0.138 0.000 0.755 604 E HN 0.572 nan 8.360 nan 0.000 0.449 605 D N 0.340 120.807 120.400 0.111 0.000 2.265 605 D HA -0.164 4.476 4.640 0.000 0.000 0.208 605 D C 1.921 178.311 176.300 0.150 0.000 0.977 605 D CA 0.927 54.992 54.000 0.108 0.000 0.871 605 D CB -0.161 40.730 40.800 0.150 0.000 0.925 605 D HN 0.051 nan 8.370 nan 0.000 0.485 606 Q N 0.223 120.136 119.800 0.188 0.000 2.083 606 Q HA 0.026 4.366 4.340 0.000 0.000 0.198 606 Q C 2.216 178.285 176.000 0.114 0.000 0.969 606 Q CA 0.748 56.677 55.803 0.210 0.000 0.838 606 Q CB -0.219 28.630 28.738 0.185 0.000 0.900 606 Q HN 0.336 nan 8.270 nan 0.000 0.436 607 I N 0.261 120.891 120.570 0.100 0.000 2.226 607 I HA -0.227 3.943 4.170 0.000 0.000 0.245 607 I C 2.166 178.268 176.117 -0.025 0.000 1.100 607 I CA 0.990 62.376 61.300 0.143 0.000 1.374 607 I CB -0.271 37.799 38.000 0.117 0.000 1.057 607 I HN 0.200 nan 8.210 nan 0.000 0.413 608 E N 1.145 121.273 120.200 -0.119 0.000 2.085 608 E HA -0.225 4.126 4.350 0.000 0.000 0.194 608 E C 2.255 178.560 176.600 -0.492 0.000 0.994 608 E CA 1.560 57.812 56.400 -0.247 0.000 0.801 608 E CB -0.265 29.299 29.700 -0.227 0.000 0.743 608 E HN 0.474 nan 8.360 nan 0.000 0.453 609 A N 1.225 123.607 122.820 -0.729 0.000 1.859 609 A HA -0.198 4.122 4.320 0.000 0.000 0.217 609 A C 2.456 179.274 177.584 -1.277 0.000 1.198 609 A CA 2.845 54.076 52.037 -1.343 0.000 0.629 609 A CB -0.975 17.195 19.000 -1.383 0.000 0.830 609 A HN 0.315 nan 8.150 nan 0.000 0.446 610 A N -0.855 121.672 122.820 -0.488 0.000 1.933 610 A HA -0.168 4.152 4.320 0.000 0.000 0.218 610 A C 2.215 179.643 177.584 -0.259 0.000 1.175 610 A CA 1.858 53.812 52.037 -0.139 0.000 0.628 610 A CB -0.498 18.514 19.000 0.019 0.000 0.814 610 A HN 0.549 nan 8.150 nan 0.000 0.444 611 R N -0.466 119.862 120.500 -0.286 0.000 2.117 611 R HA -0.194 4.146 4.340 0.000 0.000 0.243 611 R C 2.295 178.442 176.300 -0.254 0.000 1.143 611 R CA 2.101 58.059 56.100 -0.236 0.000 0.968 611 R CB -0.172 30.013 30.300 -0.191 0.000 0.863 611 R HN 0.740 nan 8.270 nan 0.000 0.444 612 Q N -1.499 118.076 119.800 -0.374 0.000 2.259 612 Q HA -0.024 4.316 4.340 0.000 0.000 0.201 612 Q C 1.852 177.702 176.000 -0.251 0.000 0.938 612 Q CA 0.540 56.148 55.803 -0.326 0.000 0.872 612 Q CB 0.037 28.541 28.738 -0.390 0.000 0.971 612 Q HN 0.239 nan 8.270 nan 0.000 0.494 613 F N 2.138 121.918 119.950 -0.282 0.000 2.115 613 F HA -0.283 4.244 4.527 0.000 0.000 0.300 613 F C 2.752 178.358 175.800 -0.322 0.000 1.092 613 F CA 1.607 59.428 58.000 -0.298 0.000 1.245 613 F CB -1.244 37.616 39.000 -0.233 0.000 0.995 613 F HN 0.098 nan 8.300 nan 0.000 0.481 614 S N -0.246 115.409 115.700 -0.075 0.000 2.356 614 S HA -0.179 4.291 4.470 0.000 0.000 0.223 614 S C 1.708 176.194 174.600 -0.191 0.000 1.032 614 S CA 0.861 58.977 58.200 -0.140 0.000 1.005 614 S CB -0.529 62.595 63.200 -0.127 0.000 0.867 614 S HN 0.177 nan 8.310 nan 0.000 0.449 615 K N 1.100 121.398 120.400 -0.170 0.000 2.664 615 K HA 0.188 4.508 4.320 0.000 0.000 0.193 615 K C 1.038 177.523 176.600 -0.190 0.000 1.028 615 K CA 0.372 56.566 56.287 -0.156 0.000 1.005 615 K CB -0.663 31.758 32.500 -0.132 0.000 0.815 615 K HN 0.575 nan 8.250 nan 0.000 0.496 616 M N -1.078 118.333 119.600 -0.315 0.000 2.428 616 M HA 0.059 4.539 4.480 0.000 0.000 0.239 616 M C 0.938 176.918 176.300 -0.533 0.000 1.121 616 M CA 0.358 55.380 55.300 -0.463 0.000 1.019 616 M CB 0.395 32.544 32.600 -0.751 0.000 1.485 616 M HN 0.365 nan 8.290 nan 0.000 0.484 617 G N 1.514 110.105 108.800 -0.349 0.000 2.220 617 G HA2 -0.321 3.639 3.960 0.000 0.000 0.269 617 G HA3 -0.321 3.639 3.960 0.000 0.000 0.269 617 G C 0.355 175.215 174.900 -0.066 0.000 0.977 617 G CA 0.762 45.762 45.100 -0.167 0.000 0.634 617 G HN 0.632 nan 8.290 nan 0.000 0.539 618 F N -0.679 119.318 119.950 0.079 0.000 2.775 618 F HA 0.738 5.266 4.527 0.000 0.000 0.313 618 F C -0.009 175.897 175.800 0.177 0.000 1.121 618 F CA -1.481 56.599 58.000 0.133 0.000 1.206 618 F CB -0.001 39.109 39.000 0.184 0.000 1.052 618 F HN 0.097 nan 8.300 nan 0.000 0.524 619 V N 1.209 121.160 119.914 0.062 0.000 2.513 619 V HA 0.267 4.388 4.120 0.000 0.000 0.299 619 V C -0.638 175.464 176.094 0.014 0.000 1.035 619 V CA -0.709 61.639 62.300 0.080 0.000 0.889 619 V CB 1.767 33.570 31.823 -0.034 0.000 0.988 619 V HN 0.059 nan 8.190 nan 0.000 0.440 620 D N 3.345 123.750 120.400 0.008 0.000 2.470 620 D HA 0.102 4.742 4.640 0.000 0.000 0.226 620 D C 1.241 177.516 176.300 -0.043 0.000 1.196 620 D CA 0.437 54.419 54.000 -0.030 0.000 0.979 620 D CB -0.157 40.608 40.800 -0.057 0.000 1.059 620 D HN 0.603 nan 8.370 nan 0.000 0.515 621 N N 1.936 120.606 118.700 -0.050 0.000 2.165 621 N HA -0.239 4.501 4.740 0.000 0.000 0.198 621 N C 1.074 176.557 175.510 -0.045 0.000 0.999 621 N CA 1.019 54.031 53.050 -0.063 0.000 0.893 621 N CB 0.288 38.738 38.487 -0.061 0.000 1.025 621 N HN 0.210 nan 8.380 nan 0.000 0.456 622 K N 0.546 120.934 120.400 -0.021 0.000 2.459 622 K HA 0.076 4.396 4.320 0.000 0.000 0.193 622 K C 0.133 176.766 176.600 0.055 0.000 1.030 622 K CA 0.560 56.853 56.287 0.009 0.000 1.026 622 K CB 0.355 32.862 32.500 0.011 0.000 0.809 622 K HN 0.242 nan 8.250 nan 0.000 0.504 623 R N 0.717 121.242 120.500 0.042 0.000 2.564 623 R HA 0.407 4.747 4.340 0.000 0.000 0.282 623 R C -0.719 175.659 176.300 0.129 0.000 1.573 623 R CA -0.135 56.045 56.100 0.132 0.000 1.588 623 R CB 0.502 30.794 30.300 -0.014 0.000 1.154 623 R HN -0.048 nan 8.270 nan 0.000 0.606 624 I N 1.244 121.955 120.570 0.235 0.000 2.439 624 I HA 0.505 4.675 4.170 0.000 0.000 0.285 624 I C -0.145 176.242 176.117 0.450 0.000 1.021 624 I CA -0.757 60.674 61.300 0.219 0.000 1.091 624 I CB 1.983 39.918 38.000 -0.110 0.000 1.242 624 I HN 0.331 nan 8.210 nan 0.000 0.439 625 A N 7.000 130.216 122.820 0.659 0.000 2.313 625 A HA 0.927 5.247 4.320 0.000 0.000 0.323 625 A C -1.016 176.992 177.584 0.706 0.000 1.133 625 A CA -0.674 51.745 52.037 0.637 0.000 0.847 625 A CB 1.939 21.165 19.000 0.377 0.000 1.308 625 A HN 0.752 nan 8.150 nan 0.000 0.475 626 I N 0.695 121.581 120.570 0.527 0.000 2.656 626 I HA 0.702 4.872 4.170 0.000 0.000 0.292 626 I C -1.872 174.520 176.117 0.458 0.000 1.144 626 I CA -0.648 60.876 61.300 0.374 0.000 1.038 626 I CB 1.572 39.472 38.000 -0.167 0.000 1.244 626 I HN 0.918 nan 8.210 nan 0.000 0.420 627 W N 7.388 128.849 121.300 0.269 0.000 3.217 627 W HA 0.838 5.498 4.660 0.000 0.000 0.323 627 W C -1.439 175.264 176.519 0.308 0.000 1.216 627 W CA -0.944 56.575 57.345 0.289 0.000 1.194 627 W CB 1.173 30.864 29.460 0.385 0.000 1.397 627 W HN 0.823 nan 8.180 nan 0.000 0.537 628 G N 1.211 109.954 108.800 -0.095 0.000 2.576 628 G HA2 0.495 4.455 3.960 0.000 0.000 0.290 628 G HA3 0.495 4.455 3.960 0.000 0.000 0.290 628 G C -2.750 172.170 174.900 0.032 0.000 1.442 628 G CA -0.717 44.186 45.100 -0.329 0.000 0.792 628 G HN 0.609 nan 8.290 nan 0.000 0.491 629 W N 0.536 121.784 121.300 -0.086 0.000 2.781 629 W HA 0.606 5.266 4.660 0.000 0.000 0.345 629 W C 0.949 177.567 176.519 0.165 0.000 1.085 629 W CA 0.377 57.754 57.345 0.053 0.000 1.198 629 W CB 1.974 31.457 29.460 0.040 0.000 1.423 629 W HN 1.229 nan 8.180 nan 0.000 0.532 630 S N 2.077 118.127 115.700 0.583 0.000 4.110 630 S HA -0.443 4.027 4.470 0.000 0.000 0.573 630 S C 1.215 175.975 174.600 0.268 0.000 1.936 630 S CA 2.070 60.571 58.200 0.503 0.000 4.227 630 S CB -1.850 61.789 63.200 0.732 0.000 0.327 630 S HN 0.736 nan 8.310 nan 0.000 0.532 631 Y N 2.392 122.753 120.300 0.102 0.000 2.207 631 Y HA 0.026 4.576 4.550 0.000 0.000 0.287 631 Y C 2.444 178.320 175.900 -0.040 0.000 1.156 631 Y CA 2.541 60.590 58.100 -0.085 0.000 1.182 631 Y CB -1.095 37.093 38.460 -0.454 0.000 0.979 631 Y HN 0.538 nan 8.280 nan 0.000 0.521 632 G N -1.170 107.744 108.800 0.189 0.000 2.471 632 G HA2 -0.184 3.776 3.960 0.000 0.000 0.219 632 G HA3 -0.184 3.776 3.960 0.000 0.000 0.219 632 G C 1.851 176.842 174.900 0.151 0.000 1.125 632 G CA 0.699 45.925 45.100 0.209 0.000 0.775 632 G HN 0.578 nan 8.290 nan 0.000 0.548 633 G N -0.410 108.490 108.800 0.167 0.000 2.430 633 G HA2 -0.112 3.848 3.960 0.000 0.000 0.216 633 G HA3 -0.112 3.848 3.960 0.000 0.000 0.216 633 G C 1.511 176.478 174.900 0.111 0.000 1.146 633 G CA 0.892 46.067 45.100 0.124 0.000 0.793 633 G HN 0.390 nan 8.290 nan 0.000 0.537 634 Y N 1.586 121.825 120.300 -0.100 0.000 2.109 634 Y HA -0.100 4.450 4.550 0.000 0.000 0.285 634 Y C 2.705 178.538 175.900 -0.111 0.000 1.131 634 Y CA 1.513 59.492 58.100 -0.202 0.000 1.121 634 Y CB -0.576 37.604 38.460 -0.467 0.000 0.987 634 Y HN 0.003 nan 8.280 nan 0.000 0.495 635 V N -0.055 119.744 119.914 -0.192 0.000 2.392 635 V HA -0.337 3.783 4.120 0.000 0.000 0.249 635 V C 2.286 178.290 176.094 -0.151 0.000 1.059 635 V CA 2.458 64.629 62.300 -0.216 0.000 1.051 635 V CB -1.163 30.694 31.823 0.055 0.000 0.658 635 V HN 0.521 nan 8.190 nan 0.000 0.455 636 T N -0.817 113.710 114.554 -0.044 0.000 2.915 636 T HA -0.129 4.221 4.350 0.000 0.000 0.269 636 T C 2.126 176.829 174.700 0.005 0.000 1.071 636 T CA 1.667 63.761 62.100 -0.009 0.000 1.132 636 T CB -0.103 68.827 68.868 0.103 0.000 0.878 636 T HN 0.498 nan 8.240 nan 0.000 0.479 637 S N 0.874 116.584 115.700 0.018 0.000 2.348 637 S HA 0.058 4.528 4.470 0.000 0.000 0.219 637 S C 2.142 176.686 174.600 -0.093 0.000 1.033 637 S CA 0.669 58.917 58.200 0.079 0.000 0.974 637 S CB -0.187 63.079 63.200 0.111 0.000 0.868 637 S HN 0.294 nan 8.310 nan 0.000 0.459 638 M N 1.747 121.196 119.600 -0.252 0.000 2.144 638 M HA -0.101 4.379 4.480 0.000 0.000 0.260 638 M C 2.359 178.512 176.300 -0.244 0.000 1.067 638 M CA 1.311 56.436 55.300 -0.292 0.000 1.095 638 M CB -1.765 30.550 32.600 -0.475 0.000 1.365 638 M HN 0.400 nan 8.290 nan 0.000 0.406 639 V N -2.148 117.622 119.914 -0.241 0.000 2.323 639 V HA -0.157 3.964 4.120 0.000 0.000 0.244 639 V C 2.255 178.171 176.094 -0.297 0.000 1.041 639 V CA 1.295 63.450 62.300 -0.242 0.000 1.025 639 V CB -1.210 30.436 31.823 -0.295 0.000 0.656 639 V HN 0.392 nan 8.190 nan 0.000 0.451 640 L N 1.218 122.227 121.223 -0.357 0.000 2.456 640 L HA 0.112 4.452 4.340 0.000 0.000 0.224 640 L C 2.209 178.575 176.870 -0.839 0.000 1.148 640 L CA 1.154 55.720 54.840 -0.457 0.000 0.825 640 L CB -0.664 41.197 42.059 -0.331 0.000 0.937 640 L HN 0.580 nan 8.230 nan 0.000 0.450 641 G N -1.553 106.786 108.800 -0.769 0.000 3.502 641 G HA2 0.006 3.966 3.960 0.000 0.000 0.267 641 G HA3 0.006 3.966 3.960 0.000 0.000 0.267 641 G C 1.371 176.080 174.900 -0.318 0.000 1.090 641 G CA 0.551 45.219 45.100 -0.719 0.000 0.795 641 G HN 0.389 nan 8.290 nan 0.000 0.535 642 S N -0.437 115.114 115.700 -0.248 0.000 2.421 642 S HA 0.348 4.818 4.470 0.000 0.000 0.224 642 S C 1.605 176.148 174.600 -0.096 0.000 1.035 642 S CA 0.927 59.048 58.200 -0.131 0.000 0.953 642 S CB -0.107 63.041 63.200 -0.087 0.000 0.810 642 S HN 1.452 nan 8.310 nan 0.000 0.497 643 G N 1.458 110.195 108.800 -0.106 0.000 2.473 643 G HA2 -0.174 3.786 3.960 0.000 0.000 0.289 643 G HA3 -0.174 3.786 3.960 0.000 0.000 0.289 643 G C 0.273 175.161 174.900 -0.019 0.000 1.084 643 G CA 0.347 45.410 45.100 -0.062 0.000 1.215 643 G HN 1.398 nan 8.290 nan 0.000 0.527 644 S N -0.740 114.967 115.700 0.013 0.000 2.629 644 S HA 0.469 4.939 4.470 0.000 0.000 0.236 644 S C 2.171 176.786 174.600 0.025 0.000 1.010 644 S CA 1.025 59.239 58.200 0.024 0.000 0.981 644 S CB 0.802 64.034 63.200 0.053 0.000 0.919 644 S HN 2.368 nan 8.310 nan 0.000 0.514 645 G N 1.524 110.344 108.800 0.032 0.000 2.249 645 G HA2 -0.381 3.579 3.960 0.000 0.000 0.269 645 G HA3 -0.381 3.579 3.960 0.000 0.000 0.269 645 G C 0.960 175.870 174.900 0.016 0.000 0.979 645 G CA 0.773 45.889 45.100 0.027 0.000 0.644 645 G HN 0.744 nan 8.290 nan 0.000 0.546 646 V N -0.646 119.272 119.914 0.006 0.000 2.332 646 V HA 0.051 4.171 4.120 0.000 0.000 0.248 646 V C 1.449 177.353 176.094 -0.317 0.000 1.055 646 V CA 1.912 64.106 62.300 -0.176 0.000 1.038 646 V CB -0.530 31.142 31.823 -0.252 0.000 0.651 646 V HN 0.324 nan 8.190 nan 0.000 0.450 647 F N -0.365 119.612 119.950 0.045 0.000 2.422 647 F HA 0.433 4.960 4.527 0.000 0.000 0.333 647 F C 1.040 176.893 175.800 0.088 0.000 1.095 647 F CA -0.719 57.334 58.000 0.088 0.000 1.038 647 F CB 1.449 40.511 39.000 0.103 0.000 1.156 647 F HN -0.256 nan 8.300 nan 0.000 0.483 648 K N 1.346 121.913 120.400 0.278 0.000 2.128 648 K HA 0.139 4.459 4.320 0.000 0.000 0.202 648 K C -0.178 176.538 176.600 0.193 0.000 1.050 648 K CA 0.889 57.290 56.287 0.191 0.000 0.966 648 K CB 0.272 32.871 32.500 0.164 0.000 0.759 648 K HN 0.796 nan 8.250 nan 0.000 0.454 649 c N -2.527 116.217 118.600 0.239 0.000 3.332 649 c HA 0.926 5.496 4.570 0.000 0.000 0.329 649 c C -0.189 174.133 174.090 0.387 0.000 1.434 649 c CA -0.623 55.865 56.329 0.264 0.000 1.314 649 c CB 1.060 43.554 42.510 -0.027 0.000 1.664 649 c HN 0.374 nan 8.230 nan 0.000 0.457 650 G N -0.148 108.978 108.800 0.543 0.000 2.632 650 G HA2 0.685 4.646 3.960 0.000 0.000 0.292 650 G HA3 0.685 4.646 3.960 0.000 0.000 0.292 650 G C -1.987 173.189 174.900 0.460 0.000 1.465 650 G CA -0.649 44.748 45.100 0.497 0.000 0.824 650 G HN 0.969 nan 8.290 nan 0.000 0.509 651 I N 0.601 121.399 120.570 0.379 0.000 2.498 651 I HA 0.647 4.818 4.170 0.000 0.000 0.290 651 I C 0.089 176.320 176.117 0.191 0.000 1.032 651 I CA -1.044 60.336 61.300 0.133 0.000 1.073 651 I CB 2.329 40.430 38.000 0.169 0.000 1.251 651 I HN 0.680 nan 8.210 nan 0.000 0.426 652 A N 6.318 129.128 122.820 -0.018 0.000 2.311 652 A HA 0.776 5.096 4.320 0.000 0.000 0.306 652 A C -0.849 176.679 177.584 -0.094 0.000 1.189 652 A CA -0.508 51.557 52.037 0.047 0.000 0.791 652 A CB 1.201 20.290 19.000 0.147 0.000 1.172 652 A HN 0.431 nan 8.150 nan 0.000 0.481 653 V N 2.030 121.852 119.914 -0.154 0.000 2.435 653 V HA 0.576 4.696 4.120 0.000 0.000 0.290 653 V C 1.069 176.819 176.094 -0.573 0.000 1.030 653 V CA 0.352 62.341 62.300 -0.519 0.000 0.881 653 V CB 1.067 32.271 31.823 -1.031 0.000 0.983 653 V HN 2.097 nan 8.190 nan 0.000 0.445 654 A N 5.229 127.725 122.820 -0.540 0.000 2.596 654 A HA -0.114 4.206 4.320 0.000 0.000 0.300 654 A C -1.559 176.003 177.584 -0.038 0.000 1.495 654 A CA 0.604 52.347 52.037 -0.491 0.000 0.769 654 A CB -1.694 17.055 19.000 -0.418 0.000 1.047 654 A HN 0.634 nan 8.150 nan 0.000 0.436 655 P HA 0.410 nan 4.420 nan 0.000 0.274 655 P C 0.187 177.457 177.300 -0.051 0.000 1.237 655 P CA -0.151 62.968 63.100 0.031 0.000 0.793 655 P CB 1.259 32.992 31.700 0.055 0.000 0.977 656 V N 1.730 121.499 119.914 -0.242 0.000 2.785 656 V HA 0.191 4.311 4.120 0.000 0.000 0.300 656 V C 1.579 177.424 176.094 -0.415 0.000 1.062 656 V CA 0.712 62.694 62.300 -0.529 0.000 1.029 656 V CB 1.103 32.219 31.823 -1.177 0.000 1.024 656 V HN 0.867 nan 8.190 nan 0.000 0.477 657 S N 2.782 118.261 115.700 -0.369 0.000 2.769 657 S HA 0.298 4.768 4.470 0.000 0.000 0.258 657 S C 0.552 174.982 174.600 -0.283 0.000 1.080 657 S CA -0.371 57.721 58.200 -0.180 0.000 0.943 657 S CB 0.327 63.501 63.200 -0.043 0.000 0.893 657 S HN 0.621 nan 8.310 nan 0.000 0.490 658 R N -0.378 119.885 120.500 -0.395 0.000 2.518 658 R HA 0.361 4.702 4.340 0.000 0.000 0.296 658 R C -0.810 175.190 176.300 -0.499 0.000 1.080 658 R CA -0.675 55.125 56.100 -0.499 0.000 0.922 658 R CB 0.465 30.345 30.300 -0.700 0.000 1.184 658 R HN 0.317 nan 8.270 nan 0.000 0.445 659 W N 2.111 123.317 121.300 -0.157 0.000 2.316 659 W HA -0.223 4.438 4.660 0.000 0.000 0.279 659 W C 1.162 177.782 176.519 0.169 0.000 1.208 659 W CA 1.039 58.389 57.345 0.008 0.000 1.182 659 W CB 0.234 29.672 29.460 -0.038 0.000 1.134 659 W HN 0.665 nan 8.180 nan 0.000 0.560 660 E N -1.384 118.917 120.200 0.169 0.000 2.418 660 E HA -0.164 4.186 4.350 0.000 0.000 0.197 660 E C 1.116 177.781 176.600 0.108 0.000 1.026 660 E CA 0.665 57.110 56.400 0.075 0.000 0.862 660 E CB -0.238 29.390 29.700 -0.120 0.000 0.799 660 E HN 0.403 nan 8.360 nan 0.000 0.518 661 Y N -1.335 119.042 120.300 0.129 0.000 2.511 661 Y HA 0.068 4.618 4.550 0.000 0.000 0.279 661 Y C 0.520 176.519 175.900 0.165 0.000 1.157 661 Y CA -0.240 57.913 58.100 0.087 0.000 1.300 661 Y CB -0.251 38.200 38.460 -0.015 0.000 1.052 661 Y HN 0.008 nan 8.280 nan 0.000 0.529 662 Y N 1.973 122.402 120.300 0.215 0.000 2.432 662 Y HA 0.300 4.850 4.550 0.000 0.000 0.322 662 Y C 0.225 176.330 175.900 0.341 0.000 1.246 662 Y CA -2.580 55.660 58.100 0.233 0.000 1.268 662 Y CB 0.458 39.086 38.460 0.279 0.000 1.276 662 Y HN 0.229 nan 8.280 nan 0.000 0.499 663 D N 0.117 120.352 120.400 -0.274 0.000 2.419 663 D HA 0.066 4.706 4.640 0.000 0.000 0.236 663 D C 0.989 177.239 176.300 -0.083 0.000 1.165 663 D CA 0.528 54.353 54.000 -0.292 0.000 0.882 663 D CB 0.840 41.237 40.800 -0.672 0.000 1.201 663 D HN 0.512 nan 8.370 nan 0.000 0.443 664 S N 1.887 117.578 115.700 -0.015 0.000 2.404 664 S HA -0.273 4.197 4.470 0.000 0.000 0.216 664 S C 2.025 176.643 174.600 0.030 0.000 1.039 664 S CA 1.377 59.617 58.200 0.067 0.000 1.062 664 S CB -1.231 62.027 63.200 0.097 0.000 1.046 664 S HN 0.484 nan 8.310 nan 0.000 0.415 665 V N 1.491 121.367 119.914 -0.062 0.000 2.251 665 V HA -0.319 3.801 4.120 0.000 0.000 0.259 665 V C 2.322 178.327 176.094 -0.149 0.000 1.078 665 V CA 2.826 64.988 62.300 -0.230 0.000 1.072 665 V CB -1.348 30.201 31.823 -0.457 0.000 0.681 665 V HN 0.670 nan 8.190 nan 0.000 0.454 666 Y N 0.844 121.058 120.300 -0.143 0.000 2.163 666 Y HA -0.212 4.338 4.550 0.000 0.000 0.288 666 Y C 2.649 178.636 175.900 0.146 0.000 1.136 666 Y CA 2.314 60.437 58.100 0.038 0.000 1.147 666 Y CB -0.534 38.044 38.460 0.196 0.000 0.987 666 Y HN 0.292 nan 8.280 nan 0.000 0.509 667 T N 0.188 114.953 114.554 0.350 0.000 2.639 667 T HA -0.181 4.170 4.350 0.000 0.000 0.261 667 T C 1.598 176.319 174.700 0.036 0.000 1.053 667 T CA 1.759 64.032 62.100 0.289 0.000 1.158 667 T CB -0.396 68.782 68.868 0.516 0.000 0.863 667 T HN 0.371 nan 8.240 nan 0.000 0.413 668 E N 0.715 120.965 120.200 0.084 0.000 2.147 668 E HA -0.212 4.139 4.350 0.000 0.000 0.199 668 E C 2.276 178.798 176.600 -0.130 0.000 1.005 668 E CA 0.942 57.378 56.400 0.059 0.000 0.810 668 E CB -0.191 29.569 29.700 0.100 0.000 0.736 668 E HN 0.310 nan 8.360 nan 0.000 0.460 669 R N -0.320 119.971 120.500 -0.347 0.000 2.211 669 R HA -0.195 4.145 4.340 0.000 0.000 0.240 669 R C 0.947 176.699 176.300 -0.913 0.000 1.144 669 R CA 1.480 57.174 56.100 -0.676 0.000 0.992 669 R CB 0.052 29.706 30.300 -1.077 0.000 0.869 669 R HN 0.288 nan 8.270 nan 0.000 0.462 670 Y N -2.809 117.231 120.300 -0.435 0.000 2.467 670 Y HA 0.234 4.784 4.550 0.000 0.000 0.259 670 Y C 1.630 177.355 175.900 -0.292 0.000 1.084 670 Y CA -0.261 57.577 58.100 -0.436 0.000 1.275 670 Y CB 0.507 38.571 38.460 -0.660 0.000 1.208 670 Y HN -0.059 nan 8.280 nan 0.000 0.511 671 M N -0.529 118.965 119.600 -0.177 0.000 2.421 671 M HA 0.411 4.891 4.480 0.000 0.000 0.258 671 M C 1.222 177.507 176.300 -0.026 0.000 1.122 671 M CA 0.990 56.154 55.300 -0.226 0.000 1.078 671 M CB -0.283 31.949 32.600 -0.614 0.000 1.380 671 M HN 0.326 nan 8.290 nan 0.000 0.499 672 G N 1.920 110.748 108.800 0.047 0.000 2.542 672 G HA2 -0.225 3.735 3.960 0.000 0.000 0.235 672 G HA3 -0.225 3.735 3.960 0.000 0.000 0.235 672 G C -0.566 174.493 174.900 0.265 0.000 1.286 672 G CA -0.713 44.460 45.100 0.122 0.000 0.904 672 G HN 0.327 nan 8.290 nan 0.000 0.577 673 L N 2.229 123.581 121.223 0.216 0.000 2.307 673 L HA 0.417 4.757 4.340 0.000 0.000 0.282 673 L C -1.281 175.639 176.870 0.084 0.000 1.051 673 L CA -1.774 53.147 54.840 0.135 0.000 0.804 673 L CB 2.071 44.159 42.059 0.049 0.000 1.197 673 L HN 0.468 nan 8.230 nan 0.000 0.431 674 P HA -0.011 nan 4.420 nan 0.000 0.271 674 P C 0.093 177.269 177.300 -0.207 0.000 1.535 674 P CA 0.014 62.698 63.100 -0.694 0.000 0.820 674 P CB -0.667 30.334 31.700 -1.164 0.000 1.606 675 T N -3.166 111.352 114.554 -0.060 0.000 2.928 675 T HA 0.355 4.705 4.350 0.000 0.000 0.284 675 T C -1.630 173.082 174.700 0.021 0.000 1.008 675 T CA -2.269 59.819 62.100 -0.021 0.000 1.057 675 T CB 1.612 70.476 68.868 -0.007 0.000 1.018 675 T HN -0.165 nan 8.240 nan 0.000 0.493 676 P HA -0.040 nan 4.420 nan 0.000 0.223 676 P C 0.613 177.934 177.300 0.034 0.000 1.151 676 P CA 0.942 64.061 63.100 0.031 0.000 0.787 676 P CB 0.158 31.870 31.700 0.020 0.000 0.788 677 E N -0.668 119.548 120.200 0.026 0.000 2.285 677 E HA -0.066 4.284 4.350 0.000 0.000 0.194 677 E C 1.586 178.206 176.600 0.034 0.000 0.997 677 E CA 0.698 57.113 56.400 0.024 0.000 0.845 677 E CB -0.337 29.371 29.700 0.014 0.000 0.782 677 E HN 0.296 nan 8.360 nan 0.000 0.491 678 D N -0.312 120.118 120.400 0.049 0.000 2.970 678 D HA 0.123 4.763 4.640 0.000 0.000 0.236 678 D C 0.588 176.949 176.300 0.102 0.000 1.415 678 D CA 0.160 54.201 54.000 0.068 0.000 1.279 678 D CB -0.033 40.814 40.800 0.077 0.000 0.932 678 D HN 0.009 nan 8.370 nan 0.000 0.216 679 N N -0.354 118.449 118.700 0.172 0.000 2.159 679 N HA 0.020 4.760 4.740 0.000 0.000 0.217 679 N C 1.593 177.318 175.510 0.358 0.000 1.223 679 N CA -0.124 53.072 53.050 0.244 0.000 0.896 679 N CB 0.984 39.623 38.487 0.255 0.000 1.064 679 N HN -0.014 nan 8.380 nan 0.000 0.518 680 L N 1.790 123.162 121.223 0.248 0.000 2.171 680 L HA -0.281 4.059 4.340 0.000 0.000 0.216 680 L C 1.693 178.682 176.870 0.197 0.000 1.084 680 L CA 1.884 56.826 54.840 0.170 0.000 0.771 680 L CB -0.594 41.484 42.059 0.033 0.000 0.890 680 L HN 0.236 nan 8.230 nan 0.000 0.437 681 D N -1.777 118.722 120.400 0.166 0.000 2.117 681 D HA -0.262 4.378 4.640 0.000 0.000 0.197 681 D C 1.948 178.341 176.300 0.156 0.000 0.987 681 D CA 1.573 55.653 54.000 0.133 0.000 0.829 681 D CB 0.123 40.987 40.800 0.107 0.000 0.961 681 D HN 0.670 nan 8.370 nan 0.000 0.460 682 H N -0.913 118.219 119.070 0.103 0.000 2.436 682 H HA -0.059 4.497 4.556 0.000 0.000 0.294 682 H C 1.702 177.083 175.328 0.088 0.000 1.048 682 H CA 1.229 57.310 56.048 0.055 0.000 1.353 682 H CB -0.291 29.462 29.762 -0.014 0.000 1.414 682 H HN 0.120 nan 8.280 nan 0.000 0.536 683 Y N 0.719 121.023 120.300 0.007 0.000 2.081 683 Y HA -0.249 4.301 4.550 0.000 0.000 0.280 683 Y C 2.490 178.352 175.900 -0.062 0.000 1.163 683 Y CA 1.892 59.994 58.100 0.004 0.000 1.135 683 Y CB -0.003 38.484 38.460 0.046 0.000 0.970 683 Y HN 0.140 nan 8.280 nan 0.000 0.498 684 R N -0.107 120.470 120.500 0.127 0.000 2.189 684 R HA -0.114 4.226 4.340 0.000 0.000 0.223 684 R C 1.533 177.821 176.300 -0.020 0.000 1.092 684 R CA 1.047 57.168 56.100 0.035 0.000 0.989 684 R CB -0.814 29.509 30.300 0.038 0.000 0.876 684 R HN 0.392 nan 8.270 nan 0.000 0.457 685 N N 0.081 118.736 118.700 -0.074 0.000 2.416 685 N HA -0.066 4.675 4.740 0.000 0.000 0.177 685 N C 0.693 176.121 175.510 -0.137 0.000 1.036 685 N CA 0.853 53.847 53.050 -0.094 0.000 0.901 685 N CB 0.252 38.706 38.487 -0.056 0.000 0.976 685 N HN 0.122 nan 8.380 nan 0.000 0.444 686 S N -1.305 114.273 115.700 -0.203 0.000 2.582 686 S HA 0.084 4.554 4.470 0.000 0.000 0.234 686 S C 0.510 175.159 174.600 0.083 0.000 0.961 686 S CA -0.604 57.571 58.200 -0.042 0.000 0.953 686 S CB -0.697 62.500 63.200 -0.005 0.000 0.800 686 S HN 0.230 nan 8.310 nan 0.000 0.471 687 T N -0.677 113.880 114.554 0.005 0.000 2.918 687 T HA 0.370 4.720 4.350 0.000 0.000 0.302 687 T C 1.362 176.071 174.700 0.015 0.000 1.045 687 T CA -0.568 61.525 62.100 -0.011 0.000 1.114 687 T CB 1.130 69.969 68.868 -0.049 0.000 0.965 687 T HN -0.028 nan 8.240 nan 0.000 0.540 688 V N 2.999 122.926 119.914 0.022 0.000 2.427 688 V HA -0.148 3.973 4.120 0.000 0.000 0.248 688 V C 2.659 178.746 176.094 -0.012 0.000 1.051 688 V CA 1.762 64.067 62.300 0.009 0.000 1.048 688 V CB -0.856 30.968 31.823 0.002 0.000 0.666 688 V HN 0.934 nan 8.190 nan 0.000 0.456 689 M N 1.017 120.593 119.600 -0.041 0.000 2.549 689 M HA -0.035 4.445 4.480 0.000 0.000 0.260 689 M C 2.172 178.456 176.300 -0.026 0.000 1.076 689 M CA 1.826 57.090 55.300 -0.058 0.000 1.090 689 M CB -1.696 30.869 32.600 -0.059 0.000 1.418 689 M HN 0.526 nan 8.290 nan 0.000 0.486 690 S N 1.363 117.056 115.700 -0.011 0.000 2.428 690 S HA -0.046 4.424 4.470 0.000 0.000 0.230 690 S C 1.603 176.206 174.600 0.006 0.000 1.014 690 S CA 0.351 58.548 58.200 -0.005 0.000 0.957 690 S CB -0.323 62.871 63.200 -0.008 0.000 0.784 690 S HN 0.626 nan 8.310 nan 0.000 0.499 691 R N 0.751 121.265 120.500 0.023 0.000 2.694 691 R HA 0.544 4.884 4.340 0.000 0.000 0.334 691 R C 1.707 178.098 176.300 0.151 0.000 1.143 691 R CA 0.415 56.541 56.100 0.043 0.000 1.073 691 R CB -0.090 30.210 30.300 -0.001 0.000 1.366 691 R HN 0.452 nan 8.270 nan 0.000 0.577 692 A N 1.053 123.933 122.820 0.101 0.000 1.877 692 A HA -0.244 4.077 4.320 0.000 0.000 0.216 692 A C 1.976 179.660 177.584 0.167 0.000 1.186 692 A CA 1.630 53.726 52.037 0.097 0.000 0.620 692 A CB -0.220 18.749 19.000 -0.051 0.000 0.822 692 A HN 0.343 nan 8.150 nan 0.000 0.443 693 E N 0.625 120.874 120.200 0.082 0.000 2.086 693 E HA -0.224 4.126 4.350 0.000 0.000 0.205 693 E C 1.576 178.216 176.600 0.067 0.000 1.027 693 E CA 1.796 58.233 56.400 0.062 0.000 0.830 693 E CB -0.265 29.454 29.700 0.032 0.000 0.751 693 E HN 0.580 nan 8.360 nan 0.000 0.456 694 N N -0.594 118.125 118.700 0.031 0.000 2.635 694 N HA -0.118 4.622 4.740 0.000 0.000 0.191 694 N C 0.812 176.254 175.510 -0.114 0.000 1.155 694 N CA 0.486 53.505 53.050 -0.052 0.000 0.927 694 N CB -0.141 38.272 38.487 -0.123 0.000 0.976 694 N HN 0.215 nan 8.380 nan 0.000 0.448 695 F N 1.308 121.209 119.950 -0.081 0.000 2.558 695 F HA 0.084 4.611 4.527 0.000 0.000 0.298 695 F C 2.035 177.831 175.800 -0.007 0.000 1.119 695 F CA 0.469 58.416 58.000 -0.090 0.000 1.451 695 F CB 0.200 39.084 39.000 -0.194 0.000 1.091 695 F HN -0.082 nan 8.300 nan 0.000 0.563 696 K N 0.323 120.814 120.400 0.151 0.000 2.160 696 K HA -0.222 4.099 4.320 0.000 0.000 0.206 696 K C 1.876 178.536 176.600 0.100 0.000 1.047 696 K CA 1.521 57.882 56.287 0.123 0.000 0.930 696 K CB -0.320 32.231 32.500 0.085 0.000 0.720 696 K HN 0.433 nan 8.250 nan 0.000 0.450 697 Q N 0.578 120.414 119.800 0.060 0.000 2.444 697 Q HA 0.009 4.349 4.340 0.000 0.000 0.206 697 Q C 0.941 176.984 176.000 0.071 0.000 0.948 697 Q CA 0.456 56.290 55.803 0.051 0.000 0.946 697 Q CB -0.149 28.601 28.738 0.020 0.000 1.027 697 Q HN 0.195 nan 8.270 nan 0.000 0.513 698 V N -2.701 117.272 119.914 0.097 0.000 3.155 698 V HA 0.543 4.663 4.120 0.000 0.000 0.313 698 V C -1.096 175.148 176.094 0.248 0.000 1.162 698 V CA -1.326 61.063 62.300 0.149 0.000 1.048 698 V CB 2.233 34.121 31.823 0.108 0.000 1.092 698 V HN 0.040 nan 8.190 nan 0.000 0.447 699 E N 1.228 121.605 120.200 0.295 0.000 2.092 699 E HA 0.404 4.755 4.350 0.000 0.000 0.271 699 E C -1.921 175.040 176.600 0.602 0.000 0.919 699 E CA -0.322 56.308 56.400 0.384 0.000 0.760 699 E CB 1.651 31.501 29.700 0.251 0.000 1.106 699 E HN 0.681 nan 8.360 nan 0.000 0.408 700 Y N 3.443 124.006 120.300 0.437 0.000 2.409 700 Y HA 0.473 5.024 4.550 0.000 0.000 0.339 700 Y C -1.250 174.774 175.900 0.206 0.000 1.033 700 Y CA -1.045 57.278 58.100 0.372 0.000 1.094 700 Y CB 0.973 39.652 38.460 0.365 0.000 1.210 700 Y HN 0.413 nan 8.280 nan 0.000 0.456 701 L N 7.905 128.793 121.223 -0.559 0.000 2.376 701 L HA 0.535 4.875 4.340 0.000 0.000 0.275 701 L C -1.926 174.456 176.870 -0.814 0.000 0.987 701 L CA -0.799 53.611 54.840 -0.716 0.000 0.828 701 L CB 1.381 42.690 42.059 -1.250 0.000 1.249 701 L HN 0.700 nan 8.230 nan 0.000 0.409 702 L N 5.937 126.856 121.223 -0.508 0.000 2.341 702 L HA 0.621 4.961 4.340 0.000 0.000 0.278 702 L C -0.958 175.823 176.870 -0.149 0.000 1.005 702 L CA -0.459 54.165 54.840 -0.359 0.000 0.818 702 L CB 1.946 43.922 42.059 -0.140 0.000 1.259 702 L HN 0.603 nan 8.230 nan 0.000 0.418 703 I N 3.470 123.966 120.570 -0.122 0.000 2.730 703 I HA 0.513 4.683 4.170 0.000 0.000 0.298 703 I C -1.134 175.016 176.117 0.055 0.000 1.089 703 I CA -0.752 60.524 61.300 -0.039 0.000 1.041 703 I CB 2.168 40.103 38.000 -0.108 0.000 1.235 703 I HN 0.536 nan 8.210 nan 0.000 0.423 704 H N 2.714 121.862 119.070 0.131 0.000 3.140 704 H HA 0.315 4.871 4.556 0.000 0.000 0.336 704 H C -0.857 174.712 175.328 0.402 0.000 1.142 704 H CA -0.507 55.674 56.048 0.222 0.000 1.308 704 H CB 2.191 32.074 29.762 0.202 0.000 1.970 704 H HN 0.761 nan 8.280 nan 0.000 0.521 705 G N 1.228 110.288 108.800 0.435 0.000 2.442 705 G HA2 0.229 4.189 3.960 0.000 0.000 0.249 705 G HA3 0.229 4.189 3.960 0.000 0.000 0.249 705 G C 1.063 176.265 174.900 0.504 0.000 1.263 705 G CA 0.266 45.634 45.100 0.448 0.000 0.846 705 G HN 0.644 nan 8.290 nan 0.000 0.555 706 T N -1.057 113.638 114.554 0.234 0.000 3.067 706 T HA 0.196 4.546 4.350 0.000 0.000 0.261 706 T C 1.603 176.360 174.700 0.095 0.000 1.110 706 T CA 0.991 63.077 62.100 -0.023 0.000 1.113 706 T CB 0.308 69.084 68.868 -0.154 0.000 0.917 706 T HN 0.685 nan 8.240 nan 0.000 0.499 707 A N 1.227 124.184 122.820 0.229 0.000 2.708 707 A HA 0.294 4.614 4.320 0.000 0.000 0.293 707 A C 0.357 177.972 177.584 0.052 0.000 1.303 707 A CA -0.526 51.669 52.037 0.264 0.000 0.949 707 A CB -0.301 19.122 19.000 0.705 0.000 1.121 707 A HN 0.351 nan 8.150 nan 0.000 0.542 708 D N 1.609 122.025 120.400 0.027 0.000 2.359 708 D HA -0.015 4.625 4.640 0.000 0.000 0.250 708 D C 0.253 176.523 176.300 -0.051 0.000 1.264 708 D CA 0.130 54.222 54.000 0.154 0.000 0.911 708 D CB 0.651 41.690 40.800 0.398 0.000 1.056 708 D HN 0.569 nan 8.370 nan 0.000 0.499 709 D N 2.612 123.018 120.400 0.009 0.000 2.317 709 D HA -0.162 4.479 4.640 0.000 0.000 0.211 709 D C 1.035 177.269 176.300 -0.111 0.000 0.966 709 D CA 0.113 54.032 54.000 -0.135 0.000 0.876 709 D CB 0.389 41.045 40.800 -0.239 0.000 0.927 709 D HN 0.259 nan 8.370 nan 0.000 0.519 710 N N 0.964 119.735 118.700 0.119 0.000 2.297 710 N HA -0.060 4.680 4.740 0.000 0.000 0.204 710 N C -0.033 175.439 175.510 -0.064 0.000 1.036 710 N CA 0.501 53.666 53.050 0.192 0.000 0.991 710 N CB 0.217 38.753 38.487 0.081 0.000 1.198 710 N HN -0.101 nan 8.380 nan 0.000 0.515 711 V N 3.013 122.854 119.914 -0.121 0.000 2.322 711 V HA 0.161 4.281 4.120 0.000 0.000 0.258 711 V C -0.322 175.845 176.094 0.122 0.000 1.074 711 V CA -0.275 61.979 62.300 -0.076 0.000 0.909 711 V CB -0.793 31.008 31.823 -0.037 0.000 1.090 711 V HN 0.308 nan 8.190 nan 0.000 0.486 712 H N 3.094 122.154 119.070 -0.017 0.000 3.016 712 H HA -0.067 4.489 4.556 0.000 0.000 0.345 712 H C 0.806 176.026 175.328 -0.180 0.000 1.066 712 H CA 0.014 55.987 56.048 -0.125 0.000 1.390 712 H CB 0.734 30.328 29.762 -0.281 0.000 1.344 712 H HN 0.621 nan 8.280 nan 0.000 0.605 713 F N 2.118 121.898 119.950 -0.283 0.000 2.202 713 F HA -0.273 4.254 4.527 0.000 0.000 0.301 713 F C 2.617 178.104 175.800 -0.521 0.000 1.082 713 F CA 1.735 59.283 58.000 -0.754 0.000 1.313 713 F CB -0.219 38.567 39.000 -0.356 0.000 1.024 713 F HN 0.667 nan 8.300 nan 0.000 0.495 714 Q N 0.259 119.889 119.800 -0.282 0.000 2.156 714 Q HA -0.313 4.027 4.340 0.000 0.000 0.211 714 Q C 1.999 177.683 176.000 -0.527 0.000 0.995 714 Q CA 2.212 57.791 55.803 -0.373 0.000 0.877 714 Q CB -0.423 28.098 28.738 -0.363 0.000 0.920 714 Q HN 0.585 nan 8.270 nan 0.000 0.416 715 Q N 0.200 119.723 119.800 -0.461 0.000 1.985 715 Q HA -0.151 4.189 4.340 0.000 0.000 0.207 715 Q C 2.339 178.134 176.000 -0.342 0.000 0.996 715 Q CA 2.003 57.616 55.803 -0.317 0.000 0.851 715 Q CB -0.378 28.273 28.738 -0.145 0.000 0.921 715 Q HN 0.397 nan 8.270 nan 0.000 0.418 716 S N 0.992 116.403 115.700 -0.482 0.000 2.419 716 S HA -0.115 4.355 4.470 0.000 0.000 0.235 716 S C 1.972 176.272 174.600 -0.500 0.000 1.019 716 S CA 0.939 58.870 58.200 -0.449 0.000 0.982 716 S CB -0.198 62.703 63.200 -0.499 0.000 0.789 716 S HN 0.475 nan 8.310 nan 0.000 0.490 717 A N 0.851 123.278 122.820 -0.655 0.000 1.968 717 A HA -0.039 4.281 4.320 0.000 0.000 0.217 717 A C 2.103 179.548 177.584 -0.232 0.000 1.169 717 A CA 1.107 52.897 52.037 -0.411 0.000 0.638 717 A CB -0.480 18.320 19.000 -0.333 0.000 0.812 717 A HN 0.341 nan 8.150 nan 0.000 0.446 718 Q N -0.065 119.587 119.800 -0.246 0.000 2.224 718 Q HA 0.025 4.365 4.340 0.000 0.000 0.203 718 Q C 1.709 177.638 176.000 -0.119 0.000 0.970 718 Q CA 1.219 56.937 55.803 -0.142 0.000 0.865 718 Q CB -0.384 28.292 28.738 -0.104 0.000 0.922 718 Q HN 0.761 nan 8.270 nan 0.000 0.445 719 I N -0.598 119.871 120.570 -0.167 0.000 2.235 719 I HA -0.230 3.940 4.170 0.000 0.000 0.241 719 I C 2.196 178.158 176.117 -0.257 0.000 1.085 719 I CA 1.162 62.336 61.300 -0.211 0.000 1.378 719 I CB -0.561 37.309 38.000 -0.216 0.000 1.076 719 I HN 0.190 nan 8.210 nan 0.000 0.415 720 S N 1.127 116.715 115.700 -0.186 0.000 2.370 720 S HA -0.298 4.172 4.470 0.000 0.000 0.226 720 S C 2.044 176.629 174.600 -0.024 0.000 1.033 720 S CA 1.537 59.702 58.200 -0.058 0.000 1.011 720 S CB -0.576 62.726 63.200 0.170 0.000 0.852 720 S HN 0.357 nan 8.310 nan 0.000 0.457 721 K N 1.610 121.983 120.400 -0.045 0.000 2.152 721 K HA -0.043 4.277 4.320 0.000 0.000 0.206 721 K C 2.268 178.842 176.600 -0.043 0.000 1.048 721 K CA 1.154 57.425 56.287 -0.026 0.000 0.933 721 K CB -0.581 31.898 32.500 -0.036 0.000 0.721 721 K HN 0.496 nan 8.250 nan 0.000 0.447 722 A N 0.937 123.701 122.820 -0.092 0.000 1.898 722 A HA -0.080 4.240 4.320 0.000 0.000 0.216 722 A C 2.024 179.539 177.584 -0.114 0.000 1.181 722 A CA 1.074 53.051 52.037 -0.099 0.000 0.620 722 A CB -0.461 18.460 19.000 -0.132 0.000 0.819 722 A HN 0.285 nan 8.150 nan 0.000 0.442 723 L N -0.456 120.651 121.223 -0.193 0.000 2.141 723 L HA -0.125 4.215 4.340 0.000 0.000 0.209 723 L C 2.405 179.283 176.870 0.014 0.000 1.094 723 L CA 0.751 55.485 54.840 -0.178 0.000 0.763 723 L CB -0.554 41.223 42.059 -0.470 0.000 0.908 723 L HN 0.222 nan 8.230 nan 0.000 0.437 724 V N -0.350 119.599 119.914 0.057 0.000 2.358 724 V HA -0.243 3.877 4.120 0.000 0.000 0.246 724 V C 2.049 178.169 176.094 0.043 0.000 1.047 724 V CA 1.744 64.094 62.300 0.083 0.000 1.035 724 V CB -0.503 31.366 31.823 0.077 0.000 0.658 724 V HN 0.424 nan 8.190 nan 0.000 0.452 725 D N -0.039 120.372 120.400 0.018 0.000 2.178 725 D HA -0.106 4.534 4.640 0.000 0.000 0.201 725 D C 2.031 178.340 176.300 0.015 0.000 0.980 725 D CA 1.085 55.092 54.000 0.012 0.000 0.842 725 D CB 0.026 40.826 40.800 0.000 0.000 0.948 725 D HN 0.353 nan 8.370 nan 0.000 0.472 726 V N -0.336 119.586 119.914 0.013 0.000 3.052 726 V HA 0.141 4.261 4.120 0.000 0.000 0.254 726 V C 1.332 177.449 176.094 0.037 0.000 1.100 726 V CA 0.975 63.287 62.300 0.021 0.000 1.112 726 V CB 0.153 31.984 31.823 0.015 0.000 0.738 726 V HN 0.390 nan 8.190 nan 0.000 0.469 727 G N 0.636 109.466 108.800 0.050 0.000 2.325 727 G HA2 -0.163 3.797 3.960 0.000 0.000 0.248 727 G HA3 -0.163 3.797 3.960 0.000 0.000 0.248 727 G C -0.261 174.693 174.900 0.090 0.000 1.108 727 G CA 0.047 45.186 45.100 0.065 0.000 0.881 727 G HN 0.345 nan 8.290 nan 0.000 0.494 728 V N 0.639 120.622 119.914 0.115 0.000 2.384 728 V HA 0.521 4.641 4.120 0.000 0.000 0.287 728 V C 0.249 176.516 176.094 0.289 0.000 1.020 728 V CA -0.560 61.837 62.300 0.161 0.000 0.850 728 V CB 1.782 33.674 31.823 0.114 0.000 0.987 728 V HN 0.481 nan 8.190 nan 0.000 0.436 729 D N 4.160 124.720 120.400 0.267 0.000 2.283 729 D HA 0.682 5.323 4.640 0.000 0.000 0.248 729 D C -0.675 175.900 176.300 0.458 0.000 1.072 729 D CA 0.261 54.428 54.000 0.279 0.000 0.929 729 D CB 1.018 41.902 40.800 0.140 0.000 1.182 729 D HN 0.367 nan 8.370 nan 0.000 0.433 730 F N -0.778 119.238 119.950 0.109 0.000 2.829 730 F HA 0.396 4.923 4.527 0.000 0.000 0.319 730 F C -1.540 174.304 175.800 0.074 0.000 1.153 730 F CA -1.174 56.914 58.000 0.146 0.000 0.912 730 F CB 0.440 39.575 39.000 0.226 0.000 1.292 730 F HN 0.143 nan 8.300 nan 0.000 0.447 731 Q N 1.386 121.152 119.800 -0.058 0.000 2.205 731 Q HA 0.898 5.238 4.340 0.000 0.000 0.249 731 Q C -0.681 175.208 176.000 -0.185 0.000 0.948 731 Q CA -0.241 55.449 55.803 -0.189 0.000 0.895 731 Q CB 1.941 30.640 28.738 -0.064 0.000 1.249 731 Q HN 1.038 nan 8.270 nan 0.000 0.458 732 A N 1.225 123.931 122.820 -0.191 0.000 2.564 732 A HA 0.931 5.251 4.320 0.000 0.000 0.288 732 A C -1.647 175.840 177.584 -0.160 0.000 1.164 732 A CA -0.612 51.363 52.037 -0.103 0.000 0.712 732 A CB 1.778 20.760 19.000 -0.030 0.000 1.303 732 A HN 0.617 nan 8.150 nan 0.000 0.418 733 M N 0.530 120.029 119.600 -0.168 0.000 2.319 733 M HA 0.522 5.002 4.480 0.000 0.000 0.265 733 M C -2.292 173.819 176.300 -0.315 0.000 1.038 733 M CA -0.457 54.582 55.300 -0.436 0.000 0.946 733 M CB 0.920 33.192 32.600 -0.547 0.000 1.984 733 M HN 1.110 nan 8.290 nan 0.000 0.482 734 W N 4.471 125.562 121.300 -0.347 0.000 2.578 734 W HA 0.810 5.471 4.660 0.000 0.000 0.346 734 W C -2.093 174.106 176.519 -0.533 0.000 1.075 734 W CA -0.944 56.278 57.345 -0.205 0.000 1.233 734 W CB 0.508 29.894 29.460 -0.123 0.000 1.358 734 W HN 0.616 nan 8.180 nan 0.000 0.574 735 Y N 2.472 122.906 120.300 0.223 0.000 2.447 735 Y HA 0.315 4.865 4.550 0.000 0.000 0.325 735 Y C 0.530 176.549 175.900 0.197 0.000 0.976 735 Y CA -1.173 56.975 58.100 0.081 0.000 1.280 735 Y CB 1.123 39.583 38.460 -0.000 0.000 1.104 735 Y HN 0.438 nan 8.280 nan 0.000 0.486 736 T N 4.082 118.825 114.554 0.314 0.000 2.905 736 T HA -0.056 4.294 4.350 0.000 0.000 0.299 736 T C 0.321 175.103 174.700 0.137 0.000 1.024 736 T CA 0.492 62.701 62.100 0.181 0.000 1.151 736 T CB 0.014 68.921 68.868 0.066 0.000 0.987 736 T HN 0.688 nan 8.240 nan 0.000 0.535 737 D N 0.562 121.019 120.400 0.095 0.000 3.059 737 D HA -0.136 4.504 4.640 0.000 0.000 0.222 737 D C 0.281 176.783 176.300 0.337 0.000 1.185 737 D CA 1.197 55.232 54.000 0.059 0.000 0.904 737 D CB -0.358 40.205 40.800 -0.396 0.000 1.122 737 D HN 0.622 nan 8.370 nan 0.000 0.410 738 E N 0.730 121.112 120.200 0.303 0.000 2.242 738 E HA 0.314 4.664 4.350 0.000 0.000 0.275 738 E C 0.691 177.490 176.600 0.332 0.000 1.002 738 E CA -0.418 56.162 56.400 0.300 0.000 0.841 738 E CB 1.439 31.287 29.700 0.246 0.000 1.109 738 E HN 0.280 nan 8.360 nan 0.000 0.394 739 D N -0.326 120.273 120.400 0.331 0.000 2.475 739 D HA -0.026 4.614 4.640 0.000 0.000 0.286 739 D C 1.149 177.668 176.300 0.365 0.000 1.205 739 D CA -0.092 54.121 54.000 0.355 0.000 1.092 739 D CB -0.129 40.904 40.800 0.389 0.000 1.147 739 D HN 0.414 nan 8.370 nan 0.000 0.575 740 H N -1.456 117.782 119.070 0.280 0.000 2.422 740 H HA 0.048 4.604 4.556 0.000 0.000 0.298 740 H C 1.987 177.571 175.328 0.425 0.000 1.098 740 H CA 2.233 58.468 56.048 0.312 0.000 1.315 740 H CB -0.505 29.427 29.762 0.283 0.000 1.382 740 H HN 0.490 nan 8.280 nan 0.000 0.523 741 G N -0.194 108.782 108.800 0.293 0.000 2.511 741 G HA2 -0.039 3.921 3.960 0.000 0.000 0.217 741 G HA3 -0.039 3.921 3.960 0.000 0.000 0.217 741 G C 0.762 175.844 174.900 0.304 0.000 1.133 741 G CA 0.338 45.534 45.100 0.160 0.000 0.792 741 G HN 0.536 nan 8.290 nan 0.000 0.539 742 I N 0.139 120.900 120.570 0.318 0.000 5.158 742 I HA -0.342 3.828 4.170 0.000 0.000 0.126 742 I C 1.740 177.979 176.117 0.204 0.000 1.344 742 I CA 0.103 61.535 61.300 0.220 0.000 2.637 742 I CB -1.066 37.032 38.000 0.165 0.000 2.338 742 I HN 0.266 nan 8.210 nan 0.000 0.320 743 A N 1.048 123.966 122.820 0.163 0.000 2.267 743 A HA 0.177 4.498 4.320 0.000 0.000 0.213 743 A C 1.327 178.969 177.584 0.097 0.000 1.192 743 A CA 0.648 52.749 52.037 0.107 0.000 0.851 743 A CB 0.070 19.096 19.000 0.044 0.000 0.881 743 A HN 0.697 nan 8.150 nan 0.000 0.494 744 S N -0.130 115.635 115.700 0.108 0.000 2.550 744 S HA 0.025 4.495 4.470 0.000 0.000 0.285 744 S C 1.233 175.892 174.600 0.098 0.000 1.326 744 S CA 0.478 58.735 58.200 0.095 0.000 1.037 744 S CB 0.626 63.884 63.200 0.098 0.000 0.838 744 S HN 0.514 nan 8.310 nan 0.000 0.519 745 S N 2.309 118.055 115.700 0.076 0.000 2.369 745 S HA -0.210 4.260 4.470 0.000 0.000 0.225 745 S C 2.183 176.833 174.600 0.083 0.000 1.043 745 S CA 2.591 60.835 58.200 0.074 0.000 1.074 745 S CB -1.630 61.596 63.200 0.043 0.000 0.962 745 S HN 1.117 nan 8.310 nan 0.000 0.433 746 T N -0.282 114.310 114.554 0.063 0.000 2.821 746 T HA 0.185 4.535 4.350 0.000 0.000 0.267 746 T C 1.915 176.650 174.700 0.059 0.000 1.046 746 T CA 1.346 63.481 62.100 0.059 0.000 1.139 746 T CB -0.805 68.096 68.868 0.055 0.000 0.871 746 T HN 0.465 nan 8.240 nan 0.000 0.454 747 A N 1.697 124.538 122.820 0.035 0.000 1.873 747 A HA -0.088 4.232 4.320 0.000 0.000 0.215 747 A C 2.237 179.752 177.584 -0.114 0.000 1.186 747 A CA 2.007 53.996 52.037 -0.080 0.000 0.616 747 A CB -1.318 17.642 19.000 -0.068 0.000 0.823 747 A HN 0.746 nan 8.150 nan 0.000 0.442 748 H N -0.474 118.563 119.070 -0.055 0.000 2.352 748 H HA -0.133 4.423 4.556 0.000 0.000 0.299 748 H C 2.100 177.470 175.328 0.070 0.000 1.097 748 H CA 2.326 58.389 56.048 0.026 0.000 1.311 748 H CB -0.261 29.541 29.762 0.067 0.000 1.377 748 H HN 0.560 nan 8.280 nan 0.000 0.504 749 Q N -1.098 118.632 119.800 -0.118 0.000 2.079 749 Q HA -0.183 4.157 4.340 0.000 0.000 0.200 749 Q C 2.232 178.165 176.000 -0.112 0.000 0.974 749 Q CA 1.369 57.066 55.803 -0.177 0.000 0.840 749 Q CB -0.172 28.522 28.738 -0.074 0.000 0.898 749 Q HN 0.616 nan 8.270 nan 0.000 0.430 750 H N 0.604 119.597 119.070 -0.128 0.000 2.321 750 H HA -0.133 4.423 4.556 0.000 0.000 0.300 750 H C 2.018 177.286 175.328 -0.100 0.000 1.087 750 H CA 1.610 57.615 56.048 -0.070 0.000 1.319 750 H CB -0.235 29.536 29.762 0.014 0.000 1.379 750 H HN 0.323 nan 8.280 nan 0.000 0.501 751 I N 0.124 120.664 120.570 -0.050 0.000 2.286 751 I HA -0.329 3.842 4.170 0.000 0.000 0.248 751 I C 1.727 177.593 176.117 -0.419 0.000 1.115 751 I CA 1.273 62.451 61.300 -0.204 0.000 1.392 751 I CB -0.270 37.417 38.000 -0.522 0.000 1.065 751 I HN 0.146 nan 8.210 nan 0.000 0.418 752 Y N 0.709 120.781 120.300 -0.379 0.000 2.373 752 Y HA -0.157 4.394 4.550 0.000 0.000 0.293 752 Y C 2.683 178.329 175.900 -0.423 0.000 1.129 752 Y CA 1.589 59.342 58.100 -0.578 0.000 1.226 752 Y CB -0.696 37.421 38.460 -0.571 0.000 1.000 752 Y HN 0.129 nan 8.280 nan 0.000 0.549 753 T N -1.645 112.793 114.554 -0.193 0.000 2.770 753 T HA -0.194 4.156 4.350 0.000 0.000 0.263 753 T C 1.540 176.105 174.700 -0.225 0.000 1.039 753 T CA 1.758 63.717 62.100 -0.235 0.000 1.142 753 T CB -0.395 68.338 68.868 -0.225 0.000 0.868 753 T HN 0.371 nan 8.240 nan 0.000 0.435 754 H N 1.085 120.025 119.070 -0.216 0.000 2.267 754 H HA 0.057 4.613 4.556 0.000 0.000 0.297 754 H C 2.251 177.564 175.328 -0.026 0.000 1.080 754 H CA 1.799 57.806 56.048 -0.068 0.000 1.278 754 H CB -0.331 29.408 29.762 -0.038 0.000 1.365 754 H HN 0.211 nan 8.280 nan 0.000 0.489 755 M N -0.513 119.048 119.600 -0.065 0.000 2.195 755 M HA -0.230 4.250 4.480 0.000 0.000 0.260 755 M C 2.400 178.802 176.300 0.170 0.000 1.066 755 M CA 1.567 56.823 55.300 -0.074 0.000 1.089 755 M CB -0.145 32.172 32.600 -0.472 0.000 1.377 755 M HN 0.241 nan 8.290 nan 0.000 0.411 756 S N -0.504 115.280 115.700 0.140 0.000 2.363 756 S HA -0.188 4.282 4.470 0.000 0.000 0.218 756 S C 1.640 176.353 174.600 0.188 0.000 1.035 756 S CA 1.206 59.596 58.200 0.317 0.000 1.043 756 S CB -0.760 62.522 63.200 0.137 0.000 0.986 756 S HN 0.472 nan 8.310 nan 0.000 0.423 757 H N 0.201 119.340 119.070 0.114 0.000 2.362 757 H HA -0.163 4.393 4.556 0.000 0.000 0.294 757 H C 1.974 177.319 175.328 0.030 0.000 1.113 757 H CA 1.726 57.796 56.048 0.036 0.000 1.253 757 H CB -0.911 28.817 29.762 -0.058 0.000 1.363 757 H HN 0.423 nan 8.280 nan 0.000 0.494 758 F N 1.187 121.137 119.950 -0.001 0.000 2.069 758 F HA -0.207 4.320 4.527 0.000 0.000 0.298 758 F C 2.324 178.092 175.800 -0.053 0.000 1.113 758 F CA 1.042 59.010 58.000 -0.054 0.000 1.214 758 F CB -0.407 38.548 39.000 -0.074 0.000 0.978 758 F HN -0.038 nan 8.300 nan 0.000 0.474 759 I N 0.770 121.327 120.570 -0.022 0.000 2.113 759 I HA -0.268 3.902 4.170 0.000 0.000 0.238 759 I C 2.328 178.292 176.117 -0.256 0.000 1.070 759 I CA 1.473 62.620 61.300 -0.253 0.000 1.332 759 I CB -1.464 36.563 38.000 0.046 0.000 1.044 759 I HN 0.180 nan 8.210 nan 0.000 0.402 760 K N 0.228 120.638 120.400 0.017 0.000 2.152 760 K HA -0.242 4.078 4.320 0.000 0.000 0.206 760 K C 2.063 178.678 176.600 0.026 0.000 1.048 760 K CA 1.315 57.655 56.287 0.089 0.000 0.933 760 K CB -0.152 32.442 32.500 0.156 0.000 0.721 760 K HN 0.444 nan 8.250 nan 0.000 0.447 761 Q N 0.168 119.936 119.800 -0.053 0.000 2.137 761 Q HA -0.126 4.214 4.340 0.000 0.000 0.198 761 Q C 2.272 178.182 176.000 -0.150 0.000 0.960 761 Q CA 1.040 56.799 55.803 -0.073 0.000 0.847 761 Q CB -0.017 28.678 28.738 -0.073 0.000 0.915 761 Q HN 0.386 nan 8.270 nan 0.000 0.448 762 c N -0.095 118.291 118.600 -0.357 0.000 2.432 762 c HA -0.034 4.536 4.570 0.000 0.000 0.282 762 c C 1.592 175.565 174.090 -0.194 0.000 1.388 762 c CA 0.305 56.382 56.329 -0.421 0.000 1.777 762 c CB -0.973 41.057 42.510 -0.799 0.000 1.882 762 c HN 0.519 nan 8.230 nan 0.000 0.520 763 F N 1.514 121.429 119.950 -0.059 0.000 2.664 763 F HA 0.274 4.801 4.527 0.000 0.000 0.303 763 F C 1.530 177.319 175.800 -0.017 0.000 1.092 763 F CA 0.216 58.202 58.000 -0.023 0.000 1.305 763 F CB -0.931 38.064 39.000 -0.008 0.000 1.054 763 F HN 0.142 nan 8.300 nan 0.000 0.565 764 S N 1.010 116.789 115.700 0.132 0.000 3.706 764 S HA -0.199 4.271 4.470 0.000 0.000 0.363 764 S C -0.159 174.489 174.600 0.079 0.000 0.999 764 S CA 0.075 58.322 58.200 0.078 0.000 1.143 764 S CB -2.192 61.046 63.200 0.063 0.000 0.902 764 S HN 0.249 nan 8.310 nan 0.000 0.476 765 L N 0.819 122.100 121.223 0.097 0.000 2.282 765 L HA 0.470 4.810 4.340 0.000 0.000 0.288 765 L C -1.228 175.684 176.870 0.070 0.000 1.033 765 L CA -2.204 52.686 54.840 0.084 0.000 0.807 765 L CB 0.398 42.524 42.059 0.112 0.000 1.209 765 L HN 0.040 nan 8.230 nan 0.000 0.423 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.130 63.100 0.049 0.000 0.800 766 P CB 0.000 31.723 31.700 0.039 0.000 0.726