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 3g0d_1_C DATA FIRST_RESID 41 DATA SEQUENCE KTYTLTDYLK NTYRLKLYSL RWISDHEYLY KXXXNILVFN 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 0.000 176.665 176.600 0.108 0.000 0.988 41 K CA 0.000 56.347 56.287 0.099 0.000 0.838 41 K CB 0.000 32.562 32.500 0.103 0.000 1.064 42 T N -1.807 112.820 114.554 0.121 0.000 2.952 42 T HA 0.342 4.688 4.350 -0.007 0.000 0.286 42 T C -0.768 174.049 174.700 0.194 0.000 1.024 42 T CA -0.718 61.466 62.100 0.140 0.000 1.029 42 T CB 0.781 69.729 68.868 0.134 0.000 1.094 42 T HN 0.520 nan 8.240 nan 0.000 0.515 43 Y N 2.882 123.231 120.300 0.083 0.000 2.584 43 Y HA 0.348 4.894 4.550 -0.006 0.000 0.351 43 Y C 1.000 177.043 175.900 0.237 0.000 1.030 43 Y CA -0.204 57.976 58.100 0.134 0.000 1.332 43 Y CB -0.266 38.224 38.460 0.048 0.000 1.148 43 Y HN 1.003 nan 8.280 nan 0.000 0.528 44 T N 2.468 117.016 114.554 -0.010 0.000 2.881 44 T HA 0.123 4.469 4.350 -0.007 0.000 0.278 44 T C 0.988 175.608 174.700 -0.134 0.000 0.982 44 T CA -0.751 61.390 62.100 0.068 0.000 0.989 44 T CB 1.264 70.142 68.868 0.016 0.000 1.058 44 T HN 0.686 nan 8.240 nan 0.000 0.529 45 L N 1.250 122.237 121.223 -0.394 0.000 2.042 45 L HA -0.010 4.326 4.340 -0.007 0.000 0.210 45 L C 2.620 179.354 176.870 -0.227 0.000 1.076 45 L CA 2.248 56.728 54.840 -0.600 0.000 0.749 45 L CB -1.550 39.990 42.059 -0.865 0.000 0.893 45 L HN 0.973 nan 8.230 nan 0.000 0.432 46 T N -0.635 113.808 114.554 -0.185 0.000 2.746 46 T HA -0.166 4.180 4.350 -0.007 0.000 0.267 46 T C 1.516 176.133 174.700 -0.139 0.000 1.039 46 T CA 1.387 63.408 62.100 -0.131 0.000 1.142 46 T CB -0.437 68.376 68.868 -0.092 0.000 0.866 46 T HN 0.402 nan 8.240 nan 0.000 0.444 47 D N 0.291 120.580 120.400 -0.185 0.000 2.116 47 D HA -0.124 4.513 4.640 -0.007 0.000 0.193 47 D C 1.776 177.988 176.300 -0.147 0.000 0.998 47 D CA 1.252 55.115 54.000 -0.229 0.000 0.836 47 D CB -0.414 40.140 40.800 -0.409 0.000 0.951 47 D HN 0.450 nan 8.370 nan 0.000 0.449 48 Y N 1.365 121.502 120.300 -0.271 0.000 2.163 48 Y HA -0.077 4.469 4.550 -0.007 0.000 0.288 48 Y C 2.194 178.109 175.900 0.025 0.000 1.136 48 Y CA 1.148 59.259 58.100 0.017 0.000 1.147 48 Y CB -0.539 38.012 38.460 0.151 0.000 0.987 48 Y HN -0.095 nan 8.280 nan 0.000 0.509 49 L N -0.226 120.828 121.223 -0.282 0.000 2.217 49 L HA -0.121 4.215 4.340 -0.007 0.000 0.211 49 L C 1.875 178.635 176.870 -0.183 0.000 1.107 49 L CA 1.265 55.907 54.840 -0.329 0.000 0.783 49 L CB -0.314 41.623 42.059 -0.204 0.000 0.919 49 L HN 0.043 nan 8.230 nan 0.000 0.442 50 K N -0.222 120.097 120.400 -0.135 0.000 2.361 50 K HA 0.097 4.413 4.320 -0.007 0.000 0.194 50 K C 0.133 176.688 176.600 -0.077 0.000 1.032 50 K CA 0.017 56.248 56.287 -0.093 0.000 1.048 50 K CB 0.174 32.621 32.500 -0.089 0.000 0.842 50 K HN 0.052 nan 8.250 nan 0.000 0.526 51 N N -0.393 118.271 118.700 -0.059 0.000 2.780 51 N HA -0.177 4.559 4.740 -0.007 0.000 0.247 51 N C -0.054 175.439 175.510 -0.029 0.000 1.076 51 N CA 0.711 53.762 53.050 0.001 0.000 0.688 51 N CB -1.040 37.445 38.487 -0.004 0.000 0.957 51 N HN 0.121 nan 8.380 nan 0.000 0.551 52 T N -0.997 113.497 114.554 -0.100 0.000 2.708 52 T HA -0.167 4.180 4.350 -0.007 0.000 0.266 52 T C 0.400 174.887 174.700 -0.355 0.000 1.037 52 T CA 1.416 63.330 62.100 -0.309 0.000 1.146 52 T CB -0.133 68.419 68.868 -0.527 0.000 0.865 52 T HN 0.361 nan 8.240 nan 0.000 0.435 53 Y N 1.903 122.286 120.300 0.137 0.000 2.593 53 Y HA 0.484 5.030 4.550 -0.006 0.000 0.331 53 Y C 0.379 176.386 175.900 0.178 0.000 0.986 53 Y CA -1.003 57.205 58.100 0.180 0.000 1.262 53 Y CB 0.218 38.845 38.460 0.278 0.000 1.098 53 Y HN -0.137 nan 8.280 nan 0.000 0.506 54 R N 2.892 123.524 120.500 0.220 0.000 2.297 54 R HA 0.474 4.810 4.340 -0.007 0.000 0.308 54 R C -0.753 175.653 176.300 0.177 0.000 1.029 54 R CA -0.613 55.587 56.100 0.168 0.000 0.929 54 R CB 0.991 31.349 30.300 0.095 0.000 1.046 54 R HN 0.594 nan 8.270 nan 0.000 0.461 55 L N 3.581 124.913 121.223 0.180 0.000 2.380 55 L HA 0.230 4.566 4.340 -0.007 0.000 0.273 55 L C 0.319 177.266 176.870 0.127 0.000 1.138 55 L CA 0.049 54.993 54.840 0.173 0.000 0.832 55 L CB 0.600 42.783 42.059 0.206 0.000 1.124 55 L HN 0.389 nan 8.230 nan 0.000 0.454 56 K N 4.088 124.556 120.400 0.114 0.000 2.130 56 K HA 0.654 4.970 4.320 -0.007 0.000 0.268 56 K C -0.914 175.707 176.600 0.035 0.000 0.983 56 K CA -0.675 55.652 56.287 0.068 0.000 0.893 56 K CB 1.699 34.235 32.500 0.060 0.000 1.066 56 K HN 0.278 nan 8.250 nan 0.000 0.450 57 L N 1.008 122.182 121.223 -0.082 0.000 2.260 57 L HA 0.492 4.828 4.340 -0.007 0.000 0.265 57 L C -0.923 175.646 176.870 -0.502 0.000 1.015 57 L CA -0.959 53.660 54.840 -0.368 0.000 0.826 57 L CB 0.510 42.494 42.059 -0.126 0.000 1.373 57 L HN 0.464 nan 8.230 nan 0.000 0.450 58 Y N 0.214 119.917 120.300 -0.994 0.000 2.541 58 Y HA 0.418 4.965 4.550 -0.006 0.000 0.350 58 Y C -0.375 175.363 175.900 -0.270 0.000 1.075 58 Y CA -0.455 57.318 58.100 -0.546 0.000 1.302 58 Y CB 1.502 39.564 38.460 -0.665 0.000 1.094 58 Y HN 0.500 nan 8.280 nan 0.000 0.579 59 S N 6.358 121.957 115.700 -0.168 0.000 2.439 59 S HA 0.642 5.108 4.470 -0.007 0.000 0.282 59 S C -0.879 173.691 174.600 -0.050 0.000 1.170 59 S CA -0.482 57.681 58.200 -0.061 0.000 1.054 59 S CB -0.473 62.704 63.200 -0.038 0.000 0.956 59 S HN 0.606 nan 8.310 nan 0.000 0.490 60 L N 3.423 124.595 121.223 -0.085 0.000 2.354 60 L HA 0.794 5.131 4.340 -0.007 0.000 0.264 60 L C -0.635 176.161 176.870 -0.123 0.000 1.008 60 L CA -0.813 53.945 54.840 -0.136 0.000 0.819 60 L CB 1.716 43.448 42.059 -0.545 0.000 1.339 60 L HN 0.465 nan 8.230 nan 0.000 0.420 61 R N 1.812 122.295 120.500 -0.028 0.000 2.422 61 R HA 0.310 4.646 4.340 -0.007 0.000 0.307 61 R C -1.692 174.673 176.300 0.108 0.000 1.004 61 R CA -0.352 55.779 56.100 0.052 0.000 0.882 61 R CB 0.948 31.314 30.300 0.110 0.000 1.164 61 R HN 0.727 nan 8.270 nan 0.000 0.489 62 W N 3.234 124.655 121.300 0.200 0.000 2.347 62 W HA -0.015 4.641 4.660 -0.006 0.000 0.333 62 W C 1.301 177.918 176.519 0.163 0.000 1.383 62 W CA -0.124 57.351 57.345 0.216 0.000 1.283 62 W CB 0.273 29.844 29.460 0.185 0.000 1.253 62 W HN 0.566 nan 8.180 nan 0.000 0.563 63 I N 2.522 123.324 120.570 0.386 0.000 4.187 63 I HA 0.031 4.197 4.170 -0.007 0.000 0.326 63 I C 0.894 177.134 176.117 0.205 0.000 1.302 63 I CA 0.588 62.017 61.300 0.216 0.000 1.196 63 I CB -0.142 37.909 38.000 0.085 0.000 1.095 63 I HN 0.335 nan 8.210 nan 0.000 0.411 64 S N -2.193 113.676 115.700 0.282 0.000 2.929 64 S HA 0.306 4.772 4.470 -0.007 0.000 0.311 64 S C 0.305 175.006 174.600 0.168 0.000 1.213 64 S CA -0.264 58.062 58.200 0.209 0.000 0.908 64 S CB 0.692 64.027 63.200 0.224 0.000 1.287 64 S HN -0.056 nan 8.310 nan 0.000 0.594 65 D N -0.796 119.589 120.400 -0.026 0.000 2.348 65 D HA 0.171 4.807 4.640 -0.007 0.000 0.211 65 D C 0.979 177.103 176.300 -0.294 0.000 0.998 65 D CA 0.880 54.696 54.000 -0.307 0.000 0.873 65 D CB 0.006 40.492 40.800 -0.522 0.000 0.925 65 D HN 0.605 nan 8.370 nan 0.000 0.524 66 H N -1.387 117.882 119.070 0.333 0.000 3.440 66 H HA 0.369 4.921 4.556 -0.007 0.000 0.259 66 H C -0.051 175.491 175.328 0.357 0.000 1.120 66 H CA -0.038 56.239 56.048 0.382 0.000 1.191 66 H CB 1.098 31.021 29.762 0.268 0.000 1.537 66 H HN 0.112 nan 8.280 nan 0.000 0.547 67 E N 0.883 121.392 120.200 0.516 0.000 2.312 67 E HA 0.428 4.774 4.350 -0.007 0.000 0.267 67 E C -1.449 175.401 176.600 0.416 0.000 0.894 67 E CA -1.031 55.566 56.400 0.328 0.000 0.773 67 E CB 2.938 32.739 29.700 0.169 0.000 1.241 67 E HN 0.159 nan 8.360 nan 0.000 0.432 68 Y N -0.869 119.483 120.300 0.087 0.000 2.571 68 Y HA 0.590 5.136 4.550 -0.007 0.000 0.341 68 Y C -1.760 174.157 175.900 0.028 0.000 1.076 68 Y CA -1.397 56.654 58.100 -0.083 0.000 1.029 68 Y CB 0.689 38.755 38.460 -0.656 0.000 1.308 68 Y HN 0.320 nan 8.280 nan 0.000 0.461 69 L N 3.767 125.124 121.223 0.224 0.000 2.334 69 L HA 0.526 4.862 4.340 -0.007 0.000 0.277 69 L C -0.979 176.124 176.870 0.388 0.000 1.075 69 L CA -0.850 54.127 54.840 0.229 0.000 0.804 69 L CB 1.154 43.305 42.059 0.154 0.000 1.174 69 L HN 0.786 nan 8.230 nan 0.000 0.438 70 Y N 2.493 122.945 120.300 0.254 0.000 2.534 70 Y HA 0.438 4.984 4.550 -0.006 0.000 0.345 70 Y C -0.499 175.472 175.900 0.117 0.000 1.031 70 Y CA -1.119 57.058 58.100 0.129 0.000 1.022 70 Y CB 1.667 40.147 38.460 0.034 0.000 1.292 70 Y HN 0.506 nan 8.280 nan 0.000 0.459 76 I N 2.122 122.651 120.570 -0.067 0.000 2.355 76 I HA 0.458 4.625 4.170 -0.007 0.000 0.288 76 I C -0.989 175.167 176.117 0.065 0.000 0.999 76 I CA -0.547 60.745 61.300 -0.014 0.000 1.163 76 I CB 0.714 38.685 38.000 -0.049 0.000 1.316 76 I HN 0.263 nan 8.210 nan 0.000 0.454 77 L N 6.901 128.172 121.223 0.080 0.000 2.319 77 L HA 0.624 4.960 4.340 -0.007 0.000 0.267 77 L C -0.395 176.461 176.870 -0.024 0.000 1.011 77 L CA -0.897 53.934 54.840 -0.015 0.000 0.818 77 L CB 1.727 43.678 42.059 -0.180 0.000 1.316 77 L HN 0.155 nan 8.230 nan 0.000 0.432 78 V N 1.473 121.285 119.914 -0.171 0.000 2.357 78 V HA 0.430 4.546 4.120 -0.007 0.000 0.284 78 V C -0.594 175.292 176.094 -0.347 0.000 1.018 78 V CA -0.388 61.803 62.300 -0.183 0.000 0.841 78 V CB 0.824 32.549 31.823 -0.162 0.000 0.991 78 V HN 0.367 nan 8.190 nan 0.000 0.437 79 F N 2.649 122.334 119.950 -0.442 0.000 2.399 79 F HA 0.403 4.926 4.527 -0.006 0.000 0.334 79 F C 0.761 176.301 175.800 -0.434 0.000 1.097 79 F CA -0.440 57.258 58.000 -0.504 0.000 1.076 79 F CB 1.067 39.568 39.000 -0.833 0.000 1.162 79 F HN 0.433 nan 8.300 nan 0.000 0.495 80 N N 1.664 120.330 118.700 -0.056 0.000 2.609 80 N HA 0.382 5.118 4.740 -0.007 0.000 0.234 80 N C 0.553 176.055 175.510 -0.014 0.000 1.001 80 N CA -0.159 52.892 53.050 0.003 0.000 0.926 80 N CB 1.025 39.553 38.487 0.070 0.000 1.130 80 N HN 0.813 nan 8.380 nan 0.000 0.510 81 A N 2.893 125.663 122.820 -0.083 0.000 2.024 81 A HA -0.167 4.149 4.320 -0.007 0.000 0.220 81 A C 1.879 179.222 177.584 -0.402 0.000 1.164 81 A CA 1.130 53.001 52.037 -0.277 0.000 0.643 81 A CB -0.187 18.493 19.000 -0.532 0.000 0.806 81 A HN 0.723 nan 8.150 nan 0.000 0.451 82 E N -1.496 118.525 120.200 -0.299 0.000 2.147 82 E HA -0.236 4.111 4.350 -0.007 0.000 0.199 82 E C 1.082 177.251 176.600 -0.719 0.000 1.005 82 E CA 1.961 58.129 56.400 -0.387 0.000 0.810 82 E CB -0.220 29.267 29.700 -0.356 0.000 0.736 82 E HN 0.906 nan 8.360 nan 0.000 0.460 83 Y N -3.156 117.149 120.300 0.008 0.000 2.965 83 Y HA 0.304 4.850 4.550 -0.006 0.000 0.242 83 Y C 1.711 177.611 175.900 -0.001 0.000 1.078 83 Y CA 0.270 58.375 58.100 0.009 0.000 1.288 83 Y CB 0.760 39.226 38.460 0.009 0.000 1.459 83 Y HN 0.087 nan 8.280 nan 0.000 0.438 84 G N 0.180 109.074 108.800 0.158 0.000 2.672 84 G HA2 -0.193 3.763 3.960 -0.007 0.000 0.197 84 G HA3 -0.193 3.763 3.960 -0.007 0.000 0.197 84 G C -0.484 174.475 174.900 0.100 0.000 0.995 84 G CA -0.299 44.867 45.100 0.110 0.000 0.754 84 G HN 0.326 nan 8.290 nan 0.000 0.505 85 N N 1.576 120.325 118.700 0.081 0.000 2.492 85 N HA 0.447 5.183 4.740 -0.007 0.000 0.262 85 N C -0.100 175.368 175.510 -0.071 0.000 1.202 85 N CA 0.923 53.977 53.050 0.006 0.000 0.926 85 N CB 1.327 39.812 38.487 -0.004 0.000 1.078 85 N HN 0.809 nan 8.380 nan 0.000 0.454 86 S N -0.193 115.403 115.700 -0.174 0.000 2.536 86 S HA 0.696 5.162 4.470 -0.007 0.000 0.287 86 S C -0.575 173.858 174.600 -0.279 0.000 1.101 86 S CA -0.919 57.054 58.200 -0.378 0.000 0.950 86 S CB 1.274 63.930 63.200 -0.907 0.000 1.056 86 S HN 0.822 nan 8.310 nan 0.000 0.481 87 S N 0.877 116.429 115.700 -0.248 0.000 2.600 87 S HA 0.775 5.241 4.470 -0.007 0.000 0.300 87 S C -0.482 174.046 174.600 -0.120 0.000 1.087 87 S CA -0.886 57.228 58.200 -0.143 0.000 0.965 87 S CB 1.024 64.180 63.200 -0.073 0.000 1.089 87 S HN 0.782 nan 8.310 nan 0.000 0.496 88 V N 2.265 122.138 119.914 -0.067 0.000 2.583 88 V HA 0.298 4.414 4.120 -0.007 0.000 0.287 88 V C 0.233 176.364 176.094 0.061 0.000 1.051 88 V CA -0.120 62.162 62.300 -0.029 0.000 1.010 88 V CB 0.571 32.362 31.823 -0.053 0.000 0.988 88 V HN 0.987 nan 8.190 nan 0.000 0.478 89 F N 3.716 123.613 119.950 -0.089 0.000 2.514 89 F HA 0.424 4.947 4.527 -0.006 0.000 0.281 89 F C 0.401 176.157 175.800 -0.073 0.000 1.060 89 F CA 0.305 58.266 58.000 -0.066 0.000 1.397 89 F CB 0.713 39.688 39.000 -0.041 0.000 1.129 89 F HN 0.229 nan 8.300 nan 0.000 0.620 90 L N 1.820 123.011 121.223 -0.054 0.000 2.409 90 L HA 0.303 4.639 4.340 -0.007 0.000 0.272 90 L C -0.540 176.244 176.870 -0.143 0.000 0.980 90 L CA -0.359 54.378 54.840 -0.172 0.000 0.826 90 L CB 1.473 43.453 42.059 -0.131 0.000 1.268 90 L HN 0.084 nan 8.230 nan 0.000 0.407 91 E N 1.913 122.001 120.200 -0.186 0.000 2.366 91 E HA 0.030 4.376 4.350 -0.007 0.000 0.266 91 E C 0.701 177.209 176.600 -0.154 0.000 1.051 91 E CA -0.410 55.898 56.400 -0.153 0.000 0.884 91 E CB 1.208 30.814 29.700 -0.156 0.000 1.006 91 E HN 0.622 nan 8.360 nan 0.000 0.417 92 N N 1.415 120.050 118.700 -0.109 0.000 2.334 92 N HA -0.201 4.535 4.740 -0.007 0.000 0.187 92 N C 0.885 176.343 175.510 -0.086 0.000 1.016 92 N CA 1.480 54.478 53.050 -0.086 0.000 0.879 92 N CB -0.186 38.262 38.487 -0.066 0.000 0.965 92 N HN 0.235 nan 8.380 nan 0.000 0.438 93 S N -3.031 112.599 115.700 -0.116 0.000 2.588 93 S HA 0.256 4.722 4.470 -0.007 0.000 0.245 93 S C 0.822 175.307 174.600 -0.192 0.000 1.021 93 S CA -0.606 57.526 58.200 -0.113 0.000 1.006 93 S CB -0.152 62.997 63.200 -0.085 0.000 0.830 93 S HN 0.141 nan 8.310 nan 0.000 0.468 94 T N 1.303 115.655 114.554 -0.336 0.000 2.857 94 T HA 0.127 4.473 4.350 -0.007 0.000 0.266 94 T C 0.220 174.481 174.700 -0.731 0.000 1.048 94 T CA 1.053 62.774 62.100 -0.632 0.000 1.139 94 T CB -0.382 67.872 68.868 -1.024 0.000 0.874 94 T HN 0.584 nan 8.240 nan 0.000 0.455 95 F N 1.002 120.855 119.950 -0.162 0.000 2.750 95 F HA 0.367 4.890 4.527 -0.007 0.000 0.297 95 F C 1.281 177.063 175.800 -0.030 0.000 1.138 95 F CA -1.224 56.712 58.000 -0.108 0.000 1.346 95 F CB -0.222 38.618 39.000 -0.267 0.000 0.965 95 F HN 0.004 nan 8.300 nan 0.000 0.514 96 D N 1.214 121.641 120.400 0.045 0.000 2.178 96 D HA -0.152 4.484 4.640 -0.007 0.000 0.201 96 D C 0.906 177.238 176.300 0.055 0.000 0.980 96 D CA 1.371 55.391 54.000 0.033 0.000 0.842 96 D CB 0.186 40.975 40.800 -0.019 0.000 0.948 96 D HN 0.388 nan 8.370 nan 0.000 0.472 97 E N -1.053 119.187 120.200 0.067 0.000 2.651 97 E HA 0.100 4.447 4.350 -0.007 0.000 0.213 97 E C 0.232 176.883 176.600 0.086 0.000 1.028 97 E CA -0.419 56.009 56.400 0.047 0.000 1.183 97 E CB 0.089 29.794 29.700 0.009 0.000 1.188 97 E HN 0.307 nan 8.360 nan 0.000 0.444 98 F N 0.558 120.501 119.950 -0.012 0.000 2.179 98 F HA 0.110 4.633 4.527 -0.006 0.000 0.292 98 F C 1.813 177.533 175.800 -0.135 0.000 1.089 98 F CA 1.841 59.831 58.000 -0.017 0.000 1.295 98 F CB 0.444 39.458 39.000 0.023 0.000 1.041 98 F HN 0.278 nan 8.300 nan 0.000 0.487 99 G N -1.096 107.652 108.800 -0.087 0.000 2.213 99 G HA2 -0.183 3.773 3.960 -0.007 0.000 0.226 99 G HA3 -0.183 3.773 3.960 -0.007 0.000 0.226 99 G C -0.009 174.603 174.900 -0.478 0.000 0.992 99 G CA 0.108 44.991 45.100 -0.362 0.000 0.632 99 G HN 0.499 nan 8.290 nan 0.000 0.511 100 H N 0.192 119.370 119.070 0.181 0.000 2.768 100 H HA 0.580 5.132 4.556 -0.007 0.000 0.371 100 H C -0.576 174.839 175.328 0.145 0.000 1.151 100 H CA -0.112 56.033 56.048 0.161 0.000 1.165 100 H CB 1.727 31.522 29.762 0.054 0.000 1.722 100 H HN 0.135 nan 8.280 nan 0.000 0.543 101 S N 2.809 118.636 115.700 0.212 0.000 2.455 101 S HA 0.135 4.601 4.470 -0.007 0.000 0.278 101 S C 0.837 175.468 174.600 0.053 0.000 1.216 101 S CA -0.653 57.604 58.200 0.095 0.000 1.055 101 S CB -0.156 63.090 63.200 0.077 0.000 0.939 101 S HN 0.282 nan 8.310 nan 0.000 0.494 102 I N 4.027 124.556 120.570 -0.069 0.000 2.421 102 I HA 0.065 4.231 4.170 -0.007 0.000 0.291 102 I C 1.466 177.538 176.117 -0.076 0.000 1.089 102 I CA 0.034 61.250 61.300 -0.141 0.000 1.354 102 I CB -0.248 37.561 38.000 -0.319 0.000 1.413 102 I HN 0.631 nan 8.210 nan 0.000 0.513 103 N N 4.707 123.372 118.700 -0.057 0.000 2.109 103 N HA -0.104 4.632 4.740 -0.007 0.000 0.188 103 N C 0.219 175.663 175.510 -0.110 0.000 1.034 103 N CA 1.382 54.365 53.050 -0.112 0.000 0.846 103 N CB 0.366 38.758 38.487 -0.158 0.000 1.010 103 N HN 0.729 nan 8.380 nan 0.000 0.425 104 D N -2.973 117.389 120.400 -0.063 0.000 2.643 104 D HA 0.257 4.893 4.640 -0.007 0.000 0.283 104 D C -1.649 174.692 176.300 0.068 0.000 1.242 104 D CA -0.646 53.337 54.000 -0.028 0.000 0.863 104 D CB 0.834 41.582 40.800 -0.088 0.000 1.382 104 D HN 0.122 nan 8.370 nan 0.000 0.444 105 Y N -1.345 118.949 120.300 -0.009 0.000 2.581 105 Y HA 0.786 5.332 4.550 -0.007 0.000 0.345 105 Y C -1.080 174.890 175.900 0.117 0.000 1.036 105 Y CA -1.130 56.985 58.100 0.025 0.000 1.042 105 Y CB 1.885 40.333 38.460 -0.020 0.000 1.289 105 Y HN 0.162 nan 8.280 nan 0.000 0.471 106 S N 3.137 119.015 115.700 0.297 0.000 2.680 106 S HA 0.513 4.979 4.470 -0.007 0.000 0.262 106 S C -1.350 173.568 174.600 0.530 0.000 1.138 106 S CA -0.688 57.705 58.200 0.321 0.000 1.072 106 S CB -0.029 63.343 63.200 0.287 0.000 1.097 106 S HN 0.621 nan 8.310 nan 0.000 0.468 107 I N 4.485 125.293 120.570 0.398 0.000 2.588 107 I HA 0.177 4.343 4.170 -0.007 0.000 0.283 107 I C 1.324 177.376 176.117 -0.109 0.000 1.119 107 I CA -0.048 61.403 61.300 0.251 0.000 1.419 107 I CB 0.746 38.888 38.000 0.236 0.000 1.394 107 I HN 0.781 nan 8.210 nan 0.000 0.562 108 S N 6.578 121.937 115.700 -0.569 0.000 2.579 108 S HA 0.173 4.639 4.470 -0.007 0.000 0.275 108 S C -1.768 172.552 174.600 -0.467 0.000 1.345 108 S CA -0.898 56.549 58.200 -1.255 0.000 1.031 108 S CB 0.673 63.032 63.200 -1.401 0.000 0.892 108 S HN 0.440 nan 8.310 nan 0.000 0.529 109 P HA -0.110 nan 4.420 nan 0.000 0.218 109 P C 0.789 178.046 177.300 -0.072 0.000 1.148 109 P CA 1.386 64.413 63.100 -0.122 0.000 0.822 109 P CB -0.142 31.509 31.700 -0.082 0.000 0.784 110 D N -1.721 118.635 120.400 -0.073 0.000 2.349 110 D HA 0.065 4.701 4.640 -0.007 0.000 0.224 110 D C 1.270 177.566 176.300 -0.006 0.000 1.029 110 D CA 0.603 54.599 54.000 -0.006 0.000 0.879 110 D CB -1.201 39.634 40.800 0.059 0.000 0.906 110 D HN 0.171 nan 8.370 nan 0.000 0.528 111 G N 1.294 110.072 108.800 -0.036 0.000 2.221 111 G HA2 -0.349 3.607 3.960 -0.007 0.000 0.265 111 G HA3 -0.349 3.607 3.960 -0.007 0.000 0.265 111 G C 0.614 175.551 174.900 0.061 0.000 1.041 111 G CA 0.673 45.797 45.100 0.040 0.000 0.807 111 G HN 0.612 nan 8.290 nan 0.000 0.502 112 Q N -1.693 118.055 119.800 -0.086 0.000 2.189 112 Q HA 0.575 4.911 4.340 -0.007 0.000 0.223 112 Q C 0.022 175.620 176.000 -0.671 0.000 0.828 112 Q CA -0.126 55.477 55.803 -0.334 0.000 0.967 112 Q CB 0.716 29.200 28.738 -0.422 0.000 1.139 112 Q HN 0.459 nan 8.270 nan 0.000 0.497 113 F N 1.074 120.983 119.950 -0.069 0.000 2.591 113 F HA 0.531 5.054 4.527 -0.007 0.000 0.309 113 F C -0.893 175.005 175.800 0.164 0.000 1.098 113 F CA -1.254 56.769 58.000 0.039 0.000 0.937 113 F CB 2.285 41.301 39.000 0.027 0.000 1.250 113 F HN -0.034 nan 8.300 nan 0.000 0.447 114 I N 4.292 125.180 120.570 0.529 0.000 2.406 114 I HA 0.502 4.668 4.170 -0.007 0.000 0.290 114 I C -1.655 174.773 176.117 0.518 0.000 0.999 114 I CA -1.058 60.542 61.300 0.500 0.000 1.124 114 I CB 1.252 39.494 38.000 0.404 0.000 1.289 114 I HN 0.545 nan 8.210 nan 0.000 0.441 115 L N 8.573 130.123 121.223 0.545 0.000 2.276 115 L HA 0.484 4.820 4.340 -0.007 0.000 0.286 115 L C -1.243 175.781 176.870 0.257 0.000 1.061 115 L CA 0.039 55.105 54.840 0.377 0.000 0.807 115 L CB 0.980 43.199 42.059 0.266 0.000 1.177 115 L HN 0.517 nan 8.230 nan 0.000 0.429 116 L N 5.036 126.370 121.223 0.185 0.000 2.296 116 L HA 0.516 4.852 4.340 -0.007 0.000 0.286 116 L C -0.085 176.879 176.870 0.157 0.000 1.023 116 L CA -0.423 54.438 54.840 0.035 0.000 0.812 116 L CB 1.563 43.461 42.059 -0.270 0.000 1.223 116 L HN 0.605 nan 8.230 nan 0.000 0.421 117 E N 3.397 123.633 120.200 0.059 0.000 2.156 117 E HA 0.424 4.770 4.350 -0.007 0.000 0.279 117 E C -1.634 174.946 176.600 -0.034 0.000 0.965 117 E CA -0.534 55.789 56.400 -0.128 0.000 0.789 117 E CB 1.138 30.808 29.700 -0.049 0.000 1.098 117 E HN 0.443 nan 8.360 nan 0.000 0.397 118 Y N 1.528 121.647 120.300 -0.302 0.000 2.677 118 Y HA 0.443 4.989 4.550 -0.007 0.000 0.334 118 Y C -0.216 175.587 175.900 -0.161 0.000 1.154 118 Y CA -1.717 56.283 58.100 -0.167 0.000 1.070 118 Y CB 0.528 38.939 38.460 -0.081 0.000 1.294 118 Y HN 0.478 nan 8.280 nan 0.000 0.475 119 N N -0.218 118.470 118.700 -0.020 0.000 2.740 119 N HA -0.296 4.440 4.740 -0.007 0.000 0.248 119 N C -1.085 174.386 175.510 -0.065 0.000 1.062 119 N CA 0.974 53.977 53.050 -0.079 0.000 0.704 119 N CB -1.604 36.747 38.487 -0.226 0.000 0.968 119 N HN 0.874 nan 8.380 nan 0.000 0.547 120 Y N 0.134 120.358 120.300 -0.126 0.000 2.544 120 Y HA 0.290 4.836 4.550 -0.007 0.000 0.330 120 Y C -0.007 175.854 175.900 -0.065 0.000 1.136 120 Y CA -0.038 57.989 58.100 -0.121 0.000 1.417 120 Y CB 0.705 39.044 38.460 -0.202 0.000 1.229 120 Y HN 0.008 nan 8.280 nan 0.000 0.532 121 V N 8.199 127.783 119.914 -0.549 0.000 2.419 121 V HA 0.183 4.299 4.120 -0.007 0.000 0.287 121 V C -0.261 175.458 176.094 -0.626 0.000 1.017 121 V CA -1.393 60.616 62.300 -0.485 0.000 0.844 121 V CB 1.194 32.881 31.823 -0.226 0.000 1.011 121 V HN 0.745 nan 8.190 nan 0.000 0.429 122 K N 3.603 123.560 120.400 -0.739 0.000 2.448 122 K HA 0.160 4.476 4.320 -0.007 0.000 0.278 122 K C 0.495 176.914 176.600 -0.302 0.000 1.009 122 K CA 0.294 56.323 56.287 -0.430 0.000 0.995 122 K CB 1.115 33.527 32.500 -0.148 0.000 0.917 122 K HN 0.815 nan 8.250 nan 0.000 0.481 123 Q N 3.183 122.792 119.800 -0.320 0.000 2.429 123 Q HA 0.137 4.473 4.340 -0.007 0.000 0.230 123 Q C 0.047 175.760 176.000 -0.478 0.000 0.970 123 Q CA -0.186 55.235 55.803 -0.637 0.000 0.778 123 Q CB 0.054 28.271 28.738 -0.868 0.000 2.016 123 Q HN 0.720 nan 8.270 nan 0.000 0.543 124 W N 0.007 121.290 121.300 -0.028 0.000 1.836 124 W HA 0.381 5.037 4.660 -0.007 0.000 0.628 124 W C 1.817 178.313 176.519 -0.038 0.000 1.626 124 W CA -0.775 56.574 57.345 0.007 0.000 1.714 124 W CB -0.150 29.276 29.460 -0.057 0.000 3.166 124 W HN 0.215 nan 8.180 nan 0.000 0.772 125 R N -0.595 119.992 120.500 0.146 0.000 2.092 125 R HA -0.136 4.200 4.340 -0.007 0.000 0.231 125 R C 1.637 177.785 176.300 -0.253 0.000 1.119 125 R CA 1.670 57.688 56.100 -0.136 0.000 0.970 125 R CB -0.302 29.773 30.300 -0.374 0.000 0.864 125 R HN 0.510 nan 8.270 nan 0.000 0.440 126 H N -1.497 117.653 119.070 0.134 0.000 2.735 126 H HA 0.142 4.694 4.556 -0.007 0.000 0.250 126 H C 0.590 176.027 175.328 0.182 0.000 0.948 126 H CA 0.458 56.614 56.048 0.181 0.000 1.137 126 H CB 0.096 29.938 29.762 0.134 0.000 1.440 126 H HN 0.109 nan 8.280 nan 0.000 0.444 127 S N 1.629 117.337 115.700 0.013 0.000 2.572 127 S HA 0.304 4.770 4.470 -0.007 0.000 0.279 127 S C -0.224 174.267 174.600 -0.182 0.000 1.341 127 S CA -0.356 57.531 58.200 -0.522 0.000 1.043 127 S CB 0.327 62.719 63.200 -1.347 0.000 0.887 127 S HN 0.457 nan 8.310 nan 0.000 0.516 128 Y N -2.350 117.838 120.300 -0.186 0.000 2.741 128 Y HA 0.716 5.262 4.550 -0.007 0.000 0.339 128 Y C -0.828 175.062 175.900 -0.016 0.000 1.226 128 Y CA -1.200 56.789 58.100 -0.184 0.000 1.072 128 Y CB 0.784 39.115 38.460 -0.215 0.000 1.331 128 Y HN 0.593 nan 8.280 nan 0.000 0.453 129 T N 1.295 115.915 114.554 0.110 0.000 2.887 129 T HA 0.916 5.263 4.350 -0.007 0.000 0.288 129 T C -1.073 173.706 174.700 0.133 0.000 1.021 129 T CA 0.039 62.203 62.100 0.108 0.000 1.000 129 T CB 1.288 70.163 68.868 0.012 0.000 1.034 129 T HN 1.196 nan 8.240 nan 0.000 0.467 130 A N 1.794 124.664 122.820 0.085 0.000 2.610 130 A HA 0.778 5.094 4.320 -0.007 0.000 0.291 130 A C -0.683 176.655 177.584 -0.410 0.000 1.086 130 A CA -0.722 51.204 52.037 -0.184 0.000 0.677 130 A CB 1.444 20.296 19.000 -0.247 0.000 1.278 130 A HN 0.664 nan 8.150 nan 0.000 0.414 131 S N -0.432 114.820 115.700 -0.745 0.000 2.617 131 S HA 0.786 5.252 4.470 -0.007 0.000 0.283 131 S C -1.287 172.610 174.600 -1.171 0.000 1.189 131 S CA 0.011 57.657 58.200 -0.924 0.000 1.036 131 S CB 0.488 62.861 63.200 -1.378 0.000 1.014 131 S HN 0.458 nan 8.310 nan 0.000 0.522 132 Y N -0.107 119.958 120.300 -0.391 0.000 2.562 132 Y HA 0.498 5.044 4.550 -0.007 0.000 0.345 132 Y C -0.536 175.464 175.900 0.167 0.000 1.045 132 Y CA -0.958 57.105 58.100 -0.062 0.000 1.028 132 Y CB 1.924 40.285 38.460 -0.164 0.000 1.297 132 Y HN 0.477 nan 8.280 nan 0.000 0.463 133 D N 2.036 122.683 120.400 0.411 0.000 2.964 133 D HA 0.456 5.092 4.640 -0.007 0.000 0.234 133 D C -1.104 175.364 176.300 0.279 0.000 1.223 133 D CA -0.323 53.877 54.000 0.332 0.000 0.889 133 D CB 2.580 43.648 40.800 0.447 0.000 1.609 133 D HN 0.394 nan 8.370 nan 0.000 0.523 134 I N 2.081 122.795 120.570 0.239 0.000 2.331 134 I HA 0.253 4.419 4.170 -0.007 0.000 0.292 134 I C -0.643 175.718 176.117 0.405 0.000 0.998 134 I CA -0.882 60.600 61.300 0.304 0.000 1.267 134 I CB 1.041 39.157 38.000 0.193 0.000 1.386 134 I HN 0.251 nan 8.210 nan 0.000 0.476 135 Y N 5.863 126.374 120.300 0.351 0.000 2.335 135 Y HA 0.294 4.840 4.550 -0.007 0.000 0.338 135 Y C -0.172 175.930 175.900 0.336 0.000 0.977 135 Y CA -0.753 57.547 58.100 0.333 0.000 1.114 135 Y CB 1.090 39.771 38.460 0.368 0.000 1.182 135 Y HN 0.504 nan 8.280 nan 0.000 0.463 136 D N 6.099 126.387 120.400 -0.187 0.000 2.343 136 D HA 0.072 4.708 4.640 -0.007 0.000 0.255 136 D C 0.663 176.620 176.300 -0.571 0.000 1.187 136 D CA 0.393 54.194 54.000 -0.333 0.000 0.875 136 D CB 1.143 41.818 40.800 -0.209 0.000 1.136 136 D HN 0.894 nan 8.370 nan 0.000 0.469 137 L N 3.755 124.731 121.223 -0.412 0.000 2.179 137 L HA -0.118 4.219 4.340 -0.007 0.000 0.208 137 L C 1.766 178.480 176.870 -0.261 0.000 1.096 137 L CA 0.480 55.182 54.840 -0.229 0.000 0.779 137 L CB -0.194 41.767 42.059 -0.164 0.000 0.922 137 L HN 0.317 nan 8.230 nan 0.000 0.443 138 N N 0.496 119.003 118.700 -0.320 0.000 2.109 138 N HA -0.118 4.618 4.740 -0.007 0.000 0.188 138 N C 1.423 176.814 175.510 -0.199 0.000 1.034 138 N CA 1.195 54.107 53.050 -0.231 0.000 0.846 138 N CB -0.062 38.288 38.487 -0.228 0.000 1.010 138 N HN 0.159 nan 8.380 nan 0.000 0.425 139 K N 0.502 120.764 120.400 -0.229 0.000 2.458 139 K HA 0.235 4.551 4.320 -0.007 0.000 0.194 139 K C -0.283 176.189 176.600 -0.214 0.000 1.024 139 K CA -0.064 56.115 56.287 -0.180 0.000 1.108 139 K CB 0.292 32.708 32.500 -0.140 0.000 0.846 139 K HN 0.108 nan 8.250 nan 0.000 0.518 140 R N 0.821 121.141 120.500 -0.301 0.000 3.741 140 R HA -0.238 4.098 4.340 -0.007 0.000 0.292 140 R C -0.408 175.657 176.300 -0.393 0.000 1.176 140 R CA 1.126 57.052 56.100 -0.290 0.000 0.794 140 R CB -2.360 27.891 30.300 -0.082 0.000 1.213 140 R HN 0.492 nan 8.270 nan 0.000 0.494 141 Q N -0.624 118.821 119.800 -0.592 0.000 2.501 141 Q HA 0.563 4.899 4.340 -0.007 0.000 0.288 141 Q C -0.862 175.001 176.000 -0.229 0.000 1.051 141 Q CA -1.319 54.312 55.803 -0.286 0.000 0.788 141 Q CB 1.374 30.057 28.738 -0.091 0.000 1.469 141 Q HN -0.083 nan 8.270 nan 0.000 0.416 142 L N 2.036 123.315 121.223 0.095 0.000 2.331 142 L HA 0.312 4.648 4.340 -0.007 0.000 0.278 142 L C -0.027 176.910 176.870 0.111 0.000 1.106 142 L CA -0.352 54.610 54.840 0.204 0.000 0.824 142 L CB 0.342 42.569 42.059 0.280 0.000 1.142 142 L HN 0.678 nan 8.230 nan 0.000 0.443 143 I N 2.926 123.572 120.570 0.126 0.000 2.587 143 I HA -0.035 4.132 4.170 -0.007 0.000 0.284 143 I C 1.474 177.624 176.117 0.056 0.000 1.134 143 I CA 0.595 61.943 61.300 0.079 0.000 1.410 143 I CB 0.786 38.829 38.000 0.071 0.000 1.392 143 I HN 0.707 nan 8.210 nan 0.000 0.545 144 T N 1.387 115.959 114.554 0.030 0.000 3.023 144 T HA 0.184 4.530 4.350 -0.007 0.000 0.253 144 T C 0.361 175.056 174.700 -0.008 0.000 1.038 144 T CA -0.325 61.782 62.100 0.013 0.000 0.962 144 T CB -0.070 68.804 68.868 0.009 0.000 1.018 144 T HN 0.592 nan 8.240 nan 0.000 0.521 145 E N 1.375 121.566 120.200 -0.014 0.000 2.299 145 E HA 0.283 4.629 4.350 -0.007 0.000 0.265 145 E C -0.860 175.710 176.600 -0.050 0.000 0.911 145 E CA -0.615 55.766 56.400 -0.032 0.000 0.789 145 E CB 1.116 30.801 29.700 -0.025 0.000 1.246 145 E HN 0.021 nan 8.360 nan 0.000 0.427 146 E N 0.465 120.622 120.200 -0.071 0.000 2.252 146 E HA -0.222 4.125 4.350 -0.007 0.000 0.218 146 E C -0.630 175.894 176.600 -0.125 0.000 1.253 146 E CA 0.638 56.979 56.400 -0.098 0.000 0.705 146 E CB -1.608 28.044 29.700 -0.080 0.000 1.172 146 E HN 0.517 nan 8.360 nan 0.000 0.369 147 R N -0.099 120.317 120.500 -0.139 0.000 2.539 147 R HA 0.412 4.748 4.340 -0.007 0.000 0.275 147 R C 1.031 177.158 176.300 -0.287 0.000 1.077 147 R CA -0.660 55.344 56.100 -0.160 0.000 1.097 147 R CB 0.630 30.867 30.300 -0.105 0.000 1.018 147 R HN 0.129 nan 8.270 nan 0.000 0.483 148 I N 5.349 125.710 120.570 -0.348 0.000 2.662 148 I HA -0.003 4.163 4.170 -0.007 0.000 0.285 148 I C -1.502 174.329 176.117 -0.477 0.000 1.161 148 I CA -1.235 59.704 61.300 -0.602 0.000 1.415 148 I CB 0.221 37.870 38.000 -0.586 0.000 1.385 148 I HN 0.331 nan 8.210 nan 0.000 0.552 149 P HA 0.040 nan 4.420 nan 0.000 0.269 149 P C -0.660 176.451 177.300 -0.314 0.000 1.215 149 P CA -0.321 62.424 63.100 -0.592 0.000 0.780 149 P CB 0.429 31.377 31.700 -1.253 0.000 0.898 150 N N 1.585 120.180 118.700 -0.175 0.000 2.307 150 N HA -0.086 4.651 4.740 -0.007 0.000 0.230 150 N C 0.524 176.118 175.510 0.139 0.000 1.297 150 N CA 0.472 53.486 53.050 -0.060 0.000 0.884 150 N CB -0.695 37.771 38.487 -0.034 0.000 1.115 150 N HN 0.433 nan 8.380 nan 0.000 0.436 151 N N -2.034 116.728 118.700 0.104 0.000 2.725 151 N HA -0.173 4.563 4.740 -0.007 0.000 0.249 151 N C -0.974 174.725 175.510 0.315 0.000 1.103 151 N CA 0.734 53.888 53.050 0.173 0.000 0.707 151 N CB -1.368 37.218 38.487 0.167 0.000 1.043 151 N HN 0.455 nan 8.380 nan 0.000 0.553 152 T N 0.335 115.079 114.554 0.317 0.000 2.870 152 T HA 0.061 4.407 4.350 -0.007 0.000 0.300 152 T C 1.440 176.324 174.700 0.306 0.000 0.989 152 T CA 0.035 62.356 62.100 0.368 0.000 1.139 152 T CB 1.170 70.186 68.868 0.246 0.000 0.920 152 T HN 0.196 nan 8.240 nan 0.000 0.537 153 Q N 1.715 121.681 119.800 0.277 0.000 2.250 153 Q HA 0.160 4.496 4.340 -0.007 0.000 0.200 153 Q C 0.174 176.351 176.000 0.295 0.000 0.941 153 Q CA 0.401 56.373 55.803 0.281 0.000 0.872 153 Q CB 0.791 29.665 28.738 0.226 0.000 0.965 153 Q HN 0.700 nan 8.270 nan 0.000 0.480 154 W N 0.362 121.642 121.300 -0.033 0.000 3.419 154 W HA 0.441 5.097 4.660 -0.007 0.000 0.298 154 W C -2.073 174.371 176.519 -0.126 0.000 1.260 154 W CA -0.840 56.436 57.345 -0.115 0.000 1.199 154 W CB 1.469 30.794 29.460 -0.226 0.000 1.349 154 W HN -0.262 nan 8.180 nan 0.000 0.557 155 V N 1.300 120.571 119.914 -1.072 0.000 2.808 155 V HA 0.855 4.971 4.120 -0.007 0.000 0.308 155 V C -1.077 174.462 176.094 -0.926 0.000 1.099 155 V CA -0.621 61.171 62.300 -0.845 0.000 0.920 155 V CB 1.237 32.445 31.823 -1.026 0.000 1.014 155 V HN 0.563 nan 8.190 nan 0.000 0.425 156 T N 3.781 118.103 114.554 -0.387 0.000 3.071 156 T HA 0.514 4.860 4.350 -0.007 0.000 0.311 156 T C -1.109 173.631 174.700 0.066 0.000 1.042 156 T CA -0.261 61.794 62.100 -0.074 0.000 1.028 156 T CB 0.775 69.857 68.868 0.358 0.000 1.068 156 T HN 0.760 nan 8.240 nan 0.000 0.451 157 W N 3.567 124.900 121.300 0.056 0.000 2.137 157 W HA 0.379 5.035 4.660 -0.007 0.000 0.344 157 W C 1.344 177.668 176.519 -0.326 0.000 1.286 157 W CA -0.578 56.731 57.345 -0.060 0.000 1.240 157 W CB 0.529 29.964 29.460 -0.041 0.000 1.141 157 W HN 0.781 nan 8.180 nan 0.000 0.579 158 S N 1.607 116.999 115.700 -0.513 0.000 2.589 158 S HA 0.097 4.563 4.470 -0.007 0.000 0.265 158 S C -1.815 172.515 174.600 -0.450 0.000 1.342 158 S CA -0.954 56.468 58.200 -1.297 0.000 1.005 158 S CB 0.681 63.092 63.200 -1.317 0.000 0.909 158 S HN 0.289 nan 8.310 nan 0.000 0.555 159 P HA 0.053 nan 4.420 nan 0.000 0.221 159 P C 0.406 177.663 177.300 -0.071 0.000 1.150 159 P CA 0.648 63.702 63.100 -0.077 0.000 0.800 159 P CB -0.203 31.494 31.700 -0.006 0.000 0.787 160 V N -6.302 113.533 119.914 -0.132 0.000 3.113 160 V HA 0.894 5.010 4.120 -0.007 0.000 0.316 160 V C 0.735 176.743 176.094 -0.143 0.000 1.125 160 V CA -0.367 61.873 62.300 -0.100 0.000 1.026 160 V CB 0.705 32.486 31.823 -0.071 0.000 1.080 160 V HN 0.407 nan 8.190 nan 0.000 0.444 161 G N 1.249 109.989 108.800 -0.100 0.000 2.550 161 G HA2 -0.211 3.745 3.960 -0.007 0.000 0.277 161 G HA3 -0.211 3.745 3.960 -0.007 0.000 0.277 161 G C 0.279 175.134 174.900 -0.074 0.000 1.190 161 G CA 0.933 45.965 45.100 -0.115 0.000 0.971 161 G HN 2.555 nan 8.290 nan 0.000 0.559 162 H N -0.639 118.409 119.070 -0.037 0.000 3.204 162 H HA 0.391 4.943 4.556 -0.007 0.000 0.240 162 H C 0.345 175.829 175.328 0.260 0.000 1.259 162 H CA -0.062 56.004 56.048 0.029 0.000 0.991 162 H CB -0.358 29.404 29.762 0.001 0.000 2.583 162 H HN 0.534 nan 8.280 nan 0.000 0.638 163 K N 1.265 121.672 120.400 0.011 0.000 2.276 163 K HA 0.288 4.604 4.320 -0.007 0.000 0.259 163 K C -0.749 175.960 176.600 0.181 0.000 1.001 163 K CA -0.408 55.898 56.287 0.032 0.000 0.927 163 K CB 1.034 33.420 32.500 -0.190 0.000 0.969 163 K HN 0.030 nan 8.250 nan 0.000 0.490 164 L N 1.130 122.475 121.223 0.204 0.000 2.436 164 L HA 0.490 4.826 4.340 -0.007 0.000 0.268 164 L C -1.537 175.510 176.870 0.295 0.000 0.974 164 L CA -0.234 54.678 54.840 0.120 0.000 0.826 164 L CB 1.818 43.798 42.059 -0.131 0.000 1.291 164 L HN 0.739 nan 8.230 nan 0.000 0.406 165 A N 4.289 127.304 122.820 0.326 0.000 2.330 165 A HA 0.790 5.106 4.320 -0.007 0.000 0.313 165 A C -1.694 175.951 177.584 0.102 0.000 1.124 165 A CA -0.397 51.751 52.037 0.185 0.000 0.774 165 A CB 0.881 19.941 19.000 0.100 0.000 1.198 165 A HN 0.737 nan 8.150 nan 0.000 0.465 166 Y N -0.096 120.178 120.300 -0.043 0.000 2.581 166 Y HA 0.781 5.327 4.550 -0.007 0.000 0.345 166 Y C -1.123 174.802 175.900 0.041 0.000 1.036 166 Y CA -1.576 56.481 58.100 -0.071 0.000 1.042 166 Y CB 1.268 39.620 38.460 -0.180 0.000 1.289 166 Y HN 0.364 nan 8.280 nan 0.000 0.471 167 V N 2.356 122.394 119.914 0.207 0.000 2.459 167 V HA 0.374 4.490 4.120 -0.007 0.000 0.295 167 V C -1.384 174.928 176.094 0.363 0.000 1.029 167 V CA -0.632 61.764 62.300 0.161 0.000 0.874 167 V CB 1.231 33.067 31.823 0.021 0.000 0.985 167 V HN 0.886 nan 8.190 nan 0.000 0.438 168 W N 5.267 126.664 121.300 0.160 0.000 3.259 168 W HA 0.535 5.191 4.660 -0.007 0.000 0.331 168 W C 0.119 176.699 176.519 0.102 0.000 1.144 168 W CA -0.598 56.830 57.345 0.137 0.000 1.227 168 W CB 1.376 30.912 29.460 0.127 0.000 1.371 168 W HN 0.624 nan 8.180 nan 0.000 0.491 169 N N 5.072 123.414 118.700 -0.596 0.000 2.727 169 N HA -0.310 4.426 4.740 -0.007 0.000 0.249 169 N C 0.151 175.500 175.510 -0.268 0.000 1.048 169 N CA 1.819 54.516 53.050 -0.589 0.000 0.714 169 N CB -1.519 36.405 38.487 -0.939 0.000 0.959 169 N HN 0.859 nan 8.380 nan 0.000 0.544 170 N N -2.238 116.366 118.700 -0.161 0.000 2.778 170 N HA -0.206 4.530 4.740 -0.007 0.000 0.249 170 N C -1.172 174.260 175.510 -0.131 0.000 1.069 170 N CA 1.156 54.130 53.050 -0.126 0.000 0.831 170 N CB -0.378 37.993 38.487 -0.193 0.000 1.142 170 N HN 0.437 nan 8.380 nan 0.000 0.573 171 D N 0.484 120.815 120.400 -0.115 0.000 2.340 171 D HA 0.491 5.127 4.640 -0.007 0.000 0.240 171 D C 0.226 176.345 176.300 -0.302 0.000 1.001 171 D CA -0.376 53.473 54.000 -0.252 0.000 0.888 171 D CB 1.637 42.235 40.800 -0.337 0.000 1.310 171 D HN 0.030 nan 8.370 nan 0.000 0.474 172 I N 1.549 121.783 120.570 -0.560 0.000 2.396 172 I HA 0.261 4.427 4.170 -0.007 0.000 0.292 172 I C -0.672 174.958 176.117 -0.812 0.000 0.999 172 I CA -0.471 60.484 61.300 -0.575 0.000 1.310 172 I CB 0.601 38.195 38.000 -0.677 0.000 1.404 172 I HN 0.162 nan 8.210 nan 0.000 0.496 173 Y N 3.978 123.896 120.300 -0.637 0.000 2.477 173 Y HA 0.593 5.139 4.550 -0.007 0.000 0.347 173 Y C -0.433 175.160 175.900 -0.512 0.000 0.981 173 Y CA -0.948 56.748 58.100 -0.674 0.000 1.033 173 Y CB 2.163 39.953 38.460 -1.116 0.000 1.245 173 Y HN 0.128 nan 8.280 nan 0.000 0.455 174 V N 3.496 123.381 119.914 -0.048 0.000 2.540 174 V HA 0.418 4.534 4.120 -0.007 0.000 0.302 174 V C -0.748 175.503 176.094 0.262 0.000 1.035 174 V CA -1.285 61.084 62.300 0.115 0.000 0.873 174 V CB 1.874 33.770 31.823 0.123 0.000 0.992 174 V HN 0.626 nan 8.190 nan 0.000 0.428 175 K N 4.650 125.200 120.400 0.249 0.000 2.293 175 K HA 0.472 4.788 4.320 -0.007 0.000 0.267 175 K C 0.361 177.099 176.600 0.230 0.000 1.010 175 K CA -0.725 55.697 56.287 0.224 0.000 0.875 175 K CB 1.729 34.313 32.500 0.141 0.000 1.106 175 K HN 0.431 nan 8.250 nan 0.000 0.450 176 I N 1.215 121.946 120.570 0.268 0.000 2.286 176 I HA -0.076 4.090 4.170 -0.007 0.000 0.245 176 I C 0.510 176.711 176.117 0.139 0.000 1.104 176 I CA 1.502 62.914 61.300 0.186 0.000 1.397 176 I CB -0.255 37.870 38.000 0.209 0.000 1.072 176 I HN 0.561 nan 8.210 nan 0.000 0.417 177 E N -0.208 120.084 120.200 0.153 0.000 2.266 177 E HA 0.275 4.621 4.350 -0.007 0.000 0.268 177 E C -1.872 174.758 176.600 0.050 0.000 0.879 177 E CA -1.933 54.557 56.400 0.150 0.000 0.762 177 E CB 2.035 31.823 29.700 0.146 0.000 1.199 177 E HN -0.151 nan 8.360 nan 0.000 0.422 178 P HA -0.168 nan 4.420 nan 0.000 0.216 178 P C 0.796 178.044 177.300 -0.088 0.000 1.150 178 P CA 1.348 64.356 63.100 -0.154 0.000 0.843 178 P CB 0.280 31.706 31.700 -0.457 0.000 0.787 179 N N -1.066 117.601 118.700 -0.054 0.000 2.336 179 N HA 0.001 4.737 4.740 -0.007 0.000 0.189 179 N C 0.125 175.625 175.510 -0.016 0.000 1.113 179 N CA 0.227 53.264 53.050 -0.021 0.000 0.858 179 N CB -0.381 38.112 38.487 0.009 0.000 0.970 179 N HN 0.181 nan 8.380 nan 0.000 0.471 180 L N 0.783 122.000 121.223 -0.010 0.000 2.360 180 L HA 0.486 4.822 4.340 -0.007 0.000 0.271 180 L C -2.212 174.617 176.870 -0.069 0.000 1.057 180 L CA -2.230 52.596 54.840 -0.022 0.000 0.803 180 L CB 1.228 43.297 42.059 0.016 0.000 1.207 180 L HN -0.218 nan 8.230 nan 0.000 0.445 181 P HA 0.002 nan 4.420 nan 0.000 0.266 181 P C -0.805 176.338 177.300 -0.261 0.000 1.193 181 P CA 0.089 63.085 63.100 -0.173 0.000 0.770 181 P CB 0.478 32.062 31.700 -0.193 0.000 0.836 182 S N 1.554 117.161 115.700 -0.155 0.000 2.592 182 S HA 0.241 4.707 4.470 -0.007 0.000 0.271 182 S C -0.438 174.055 174.600 -0.179 0.000 1.326 182 S CA -0.105 58.054 58.200 -0.069 0.000 1.024 182 S CB -0.086 63.170 63.200 0.094 0.000 0.921 182 S HN 0.253 nan 8.310 nan 0.000 0.527 183 Y N 1.000 121.333 120.300 0.054 0.000 2.353 183 Y HA 0.372 4.918 4.550 -0.007 0.000 0.340 183 Y C 0.697 176.540 175.900 -0.096 0.000 0.972 183 Y CA -0.706 57.404 58.100 0.016 0.000 1.157 183 Y CB 0.607 39.075 38.460 0.013 0.000 1.157 183 Y HN 0.521 nan 8.280 nan 0.000 0.495 184 R N 3.641 124.106 120.500 -0.057 0.000 2.370 184 R HA 0.241 4.577 4.340 -0.007 0.000 0.309 184 R C 0.038 176.073 176.300 -0.442 0.000 1.059 184 R CA 0.316 56.069 56.100 -0.579 0.000 0.981 184 R CB 0.186 29.968 30.300 -0.862 0.000 0.972 184 R HN 0.912 nan 8.270 nan 0.000 0.437 185 I N 2.174 122.403 120.570 -0.568 0.000 2.927 185 I HA -0.009 4.157 4.170 -0.007 0.000 0.268 185 I C 0.654 176.567 176.117 -0.340 0.000 1.153 185 I CA 0.430 61.521 61.300 -0.348 0.000 1.459 185 I CB 0.345 38.106 38.000 -0.398 0.000 1.149 185 I HN 0.640 nan 8.210 nan 0.000 0.443 186 T N -3.544 110.669 114.554 -0.568 0.000 2.863 186 T HA 0.325 4.671 4.350 -0.007 0.000 0.285 186 T C -0.875 173.536 174.700 -0.481 0.000 1.009 186 T CA -0.578 61.288 62.100 -0.390 0.000 0.989 186 T CB 1.423 70.050 68.868 -0.401 0.000 1.004 186 T HN 0.186 nan 8.240 nan 0.000 0.455 187 W N 0.956 122.141 121.300 -0.191 0.000 2.653 187 W HA 0.261 4.917 4.660 -0.007 0.000 0.391 187 W C 1.648 178.108 176.519 -0.099 0.000 0.962 187 W CA -0.319 56.950 57.345 -0.126 0.000 1.900 187 W CB 0.389 29.797 29.460 -0.088 0.000 1.176 187 W HN 0.947 nan 8.180 nan 0.000 0.582 188 T N -3.399 111.179 114.554 0.041 0.000 3.001 188 T HA 0.279 4.625 4.350 -0.007 0.000 0.251 188 T C 1.285 175.970 174.700 -0.025 0.000 1.040 188 T CA 0.146 62.258 62.100 0.019 0.000 0.985 188 T CB -0.062 68.812 68.868 0.009 0.000 1.011 188 T HN -0.003 nan 8.240 nan 0.000 0.509 189 G N 1.407 110.163 108.800 -0.075 0.000 2.287 189 G HA2 0.330 4.286 3.960 -0.007 0.000 0.235 189 G HA3 0.330 4.286 3.960 -0.007 0.000 0.235 189 G C -0.596 174.237 174.900 -0.112 0.000 1.258 189 G CA -0.238 44.796 45.100 -0.110 0.000 0.884 189 G HN 0.539 nan 8.290 nan 0.000 0.518 190 K N 1.792 122.102 120.400 -0.151 0.000 2.619 190 K HA 0.140 4.456 4.320 -0.007 0.000 0.251 190 K C -0.174 176.297 176.600 -0.215 0.000 0.987 190 K CA -0.633 55.569 56.287 -0.142 0.000 0.844 190 K CB 1.473 33.924 32.500 -0.081 0.000 1.237 190 K HN 0.622 nan 8.250 nan 0.000 0.447 191 E N 3.038 123.126 120.200 -0.188 0.000 2.694 191 E HA -0.157 4.189 4.350 -0.007 0.000 0.250 191 E C -0.636 175.870 176.600 -0.156 0.000 0.963 191 E CA 1.120 57.409 56.400 -0.185 0.000 0.949 191 E CB 0.237 29.864 29.700 -0.122 0.000 0.911 191 E HN 0.644 nan 8.360 nan 0.000 0.500 192 D N 2.372 122.651 120.400 -0.202 0.000 3.028 192 D HA -0.237 4.399 4.640 -0.007 0.000 0.207 192 D C 0.399 176.727 176.300 0.048 0.000 1.100 192 D CA 1.533 55.537 54.000 0.008 0.000 0.995 192 D CB -0.999 39.854 40.800 0.087 0.000 1.108 192 D HN 0.519 nan 8.370 nan 0.000 0.421 193 I N -1.187 119.298 120.570 -0.141 0.000 3.685 193 I HA 0.091 4.257 4.170 -0.007 0.000 0.258 193 I C 0.296 176.457 176.117 0.074 0.000 1.135 193 I CA -0.099 61.225 61.300 0.039 0.000 1.436 193 I CB 0.646 38.656 38.000 0.016 0.000 1.670 193 I HN -0.178 nan 8.210 nan 0.000 0.424 194 I N 1.630 122.142 120.570 -0.096 0.000 2.362 194 I HA 0.271 4.437 4.170 -0.007 0.000 0.289 194 I C -1.467 174.595 176.117 -0.091 0.000 0.994 194 I CA -0.463 60.853 61.300 0.028 0.000 1.158 194 I CB 0.647 38.662 38.000 0.025 0.000 1.315 194 I HN 0.074 nan 8.210 nan 0.000 0.451 195 Y N 4.569 124.957 120.300 0.148 0.000 2.388 195 Y HA 0.379 4.925 4.550 -0.006 0.000 0.328 195 Y C 0.372 176.338 175.900 0.110 0.000 0.963 195 Y CA -0.841 57.347 58.100 0.147 0.000 1.240 195 Y CB 0.903 39.523 38.460 0.266 0.000 1.118 195 Y HN 0.414 nan 8.280 nan 0.000 0.484 196 N N 2.501 121.262 118.700 0.101 0.000 2.439 196 N HA 0.314 5.050 4.740 -0.007 0.000 0.249 196 N C 0.906 176.354 175.510 -0.104 0.000 1.003 196 N CA 0.504 53.545 53.050 -0.015 0.000 0.942 196 N CB 1.710 40.085 38.487 -0.187 0.000 1.115 196 N HN 1.015 nan 8.380 nan 0.000 0.505 197 G N 1.708 110.473 108.800 -0.058 0.000 2.162 197 G HA2 -0.258 3.698 3.960 -0.007 0.000 0.260 197 G HA3 -0.258 3.698 3.960 -0.007 0.000 0.260 197 G C 0.108 174.845 174.900 -0.271 0.000 0.976 197 G CA 0.701 45.683 45.100 -0.196 0.000 0.655 197 G HN 0.667 nan 8.290 nan 0.000 0.533 198 I N -2.180 118.305 120.570 -0.142 0.000 2.934 198 I HA 0.839 5.005 4.170 -0.007 0.000 0.306 198 I C 0.309 176.418 176.117 -0.013 0.000 1.110 198 I CA -0.719 60.390 61.300 -0.318 0.000 1.019 198 I CB 2.025 39.648 38.000 -0.629 0.000 1.227 198 I HN 0.168 nan 8.210 nan 0.000 0.434 199 T N -0.546 113.922 114.554 -0.142 0.000 2.918 199 T HA 0.408 4.754 4.350 -0.007 0.000 0.283 199 T C -0.216 174.258 174.700 -0.377 0.000 1.001 199 T CA -0.654 61.220 62.100 -0.376 0.000 1.041 199 T CB 1.313 70.070 68.868 -0.185 0.000 1.028 199 T HN 0.779 nan 8.240 nan 0.000 0.511 200 D N 0.260 120.190 120.400 -0.784 0.000 2.478 200 D HA 0.041 4.677 4.640 -0.007 0.000 0.274 200 D C 1.013 177.244 176.300 -0.115 0.000 1.234 200 D CA -1.089 52.512 54.000 -0.664 0.000 1.069 200 D CB 0.077 40.415 40.800 -0.770 0.000 1.113 200 D HN 0.708 nan 8.370 nan 0.000 0.571 201 W N 0.095 121.348 121.300 -0.079 0.000 2.315 201 W HA -0.236 4.420 4.660 -0.006 0.000 0.323 201 W C 2.193 178.628 176.519 -0.141 0.000 1.233 201 W CA 2.469 59.769 57.345 -0.075 0.000 1.267 201 W CB -0.495 28.877 29.460 -0.146 0.000 1.160 201 W HN 0.179 nan 8.180 nan 0.000 0.474 202 V N -0.166 119.866 119.914 0.195 0.000 2.515 202 V HA -0.283 3.833 4.120 -0.007 0.000 0.250 202 V C 1.841 177.792 176.094 -0.238 0.000 1.058 202 V CA 1.946 64.248 62.300 0.003 0.000 1.064 202 V CB -0.728 31.085 31.823 -0.015 0.000 0.675 202 V HN 0.312 nan 8.190 nan 0.000 0.461 203 Y N 0.547 120.696 120.300 -0.253 0.000 2.314 203 Y HA -0.150 4.396 4.550 -0.007 0.000 0.293 203 Y C 2.570 178.379 175.900 -0.150 0.000 1.129 203 Y CA 2.057 60.012 58.100 -0.242 0.000 1.201 203 Y CB -0.020 38.176 38.460 -0.440 0.000 0.999 203 Y HN 0.374 nan 8.280 nan 0.000 0.541 204 E N 0.284 120.451 120.200 -0.055 0.000 2.028 204 E HA -0.274 4.072 4.350 -0.007 0.000 0.191 204 E C 2.002 178.555 176.600 -0.078 0.000 0.988 204 E CA 1.480 57.868 56.400 -0.020 0.000 0.799 204 E CB 0.014 29.704 29.700 -0.017 0.000 0.755 204 E HN 0.358 nan 8.360 nan 0.000 0.447 205 E N 0.189 120.163 120.200 -0.377 0.000 2.072 205 E HA -0.144 4.202 4.350 -0.007 0.000 0.190 205 E C 1.493 177.976 176.600 -0.196 0.000 0.982 205 E CA 1.395 57.561 56.400 -0.391 0.000 0.803 205 E CB 0.222 29.358 29.700 -0.939 0.000 0.755 205 E HN 0.207 nan 8.360 nan 0.000 0.453 206 E N -1.070 118.994 120.200 -0.225 0.000 2.490 206 E HA 0.127 4.473 4.350 -0.007 0.000 0.209 206 E C 1.447 177.910 176.600 -0.228 0.000 0.971 206 E CA 0.271 56.575 56.400 -0.161 0.000 0.988 206 E CB 1.206 30.810 29.700 -0.159 0.000 1.029 206 E HN 0.178 nan 8.360 nan 0.000 0.496 207 V N -0.635 119.101 119.914 -0.297 0.000 3.001 207 V HA 0.089 4.205 4.120 -0.007 0.000 0.228 207 V C 1.294 177.177 176.094 -0.352 0.000 1.204 207 V CA 0.552 62.586 62.300 -0.444 0.000 1.247 207 V CB -0.205 31.185 31.823 -0.722 0.000 1.093 207 V HN 0.004 nan 8.190 nan 0.000 0.504 208 F N 0.692 120.652 119.950 0.016 0.000 2.749 208 F HA 0.317 4.840 4.527 -0.007 0.000 0.300 208 F C 1.514 177.283 175.800 -0.051 0.000 1.103 208 F CA 0.149 58.177 58.000 0.046 0.000 1.342 208 F CB -0.212 38.862 39.000 0.123 0.000 1.098 208 F HN 0.061 nan 8.300 nan 0.000 0.586 209 S N 0.775 116.500 115.700 0.042 0.000 3.559 209 S HA 0.026 4.492 4.470 -0.007 0.000 0.369 209 S C 0.062 174.277 174.600 -0.642 0.000 0.987 209 S CA 0.449 58.570 58.200 -0.132 0.000 1.187 209 S CB -1.649 61.541 63.200 -0.018 0.000 0.914 209 S HN 0.683 nan 8.310 nan 0.000 0.480 210 A N -0.746 121.820 122.820 -0.423 0.000 2.583 210 A HA 0.626 4.942 4.320 -0.007 0.000 0.292 210 A C -0.355 177.176 177.584 -0.088 0.000 1.045 210 A CA -0.356 51.458 52.037 -0.372 0.000 0.672 210 A CB 0.178 19.019 19.000 -0.265 0.000 1.283 210 A HN 0.336 nan 8.150 nan 0.000 0.419 211 Y N 1.382 121.517 120.300 -0.274 0.000 2.314 211 Y HA 0.068 4.614 4.550 -0.007 0.000 0.294 211 Y C 1.711 177.325 175.900 -0.477 0.000 1.119 211 Y CA 1.101 59.045 58.100 -0.260 0.000 1.179 211 Y CB 0.218 38.581 38.460 -0.161 0.000 1.025 211 Y HN 0.856 nan 8.280 nan 0.000 0.541 212 S N 0.592 115.736 115.700 -0.926 0.000 2.576 212 S HA 0.467 4.933 4.470 -0.007 0.000 0.276 212 S C 0.020 174.078 174.600 -0.904 0.000 1.339 212 S CA -0.207 57.261 58.200 -1.220 0.000 1.039 212 S CB 1.623 63.574 63.200 -2.081 0.000 0.902 212 S HN 0.363 nan 8.310 nan 0.000 0.516 213 A N 3.120 125.423 122.820 -0.862 0.000 2.959 213 A HA 0.561 4.877 4.320 -0.007 0.000 0.280 213 A C -0.436 176.436 177.584 -1.188 0.000 0.953 213 A CA -0.608 50.823 52.037 -1.009 0.000 1.047 213 A CB -0.186 18.678 19.000 -0.225 0.000 1.147 213 A HN 0.784 nan 8.150 nan 0.000 0.489 214 L N 0.680 121.115 121.223 -1.313 0.000 2.362 214 L HA 0.593 4.929 4.340 -0.007 0.000 0.275 214 L C -1.107 175.256 176.870 -0.844 0.000 0.998 214 L CA -0.532 53.829 54.840 -0.798 0.000 0.820 214 L CB 1.764 43.563 42.059 -0.433 0.000 1.270 214 L HN 0.464 nan 8.230 nan 0.000 0.415 215 W N 2.542 123.865 121.300 0.038 0.000 2.587 215 W HA 0.246 4.902 4.660 -0.006 0.000 0.324 215 W C -1.078 175.647 176.519 0.343 0.000 1.008 215 W CA -1.090 56.407 57.345 0.252 0.000 1.265 215 W CB 1.392 31.064 29.460 0.354 0.000 1.328 215 W HN 0.473 nan 8.180 nan 0.000 0.432 216 W N 2.308 123.822 121.300 0.357 0.000 2.202 216 W HA 0.247 4.903 4.660 -0.007 0.000 0.332 216 W C 1.286 177.550 176.519 -0.425 0.000 1.263 216 W CA 0.211 57.603 57.345 0.079 0.000 1.223 216 W CB 0.856 30.340 29.460 0.040 0.000 1.128 216 W HN 0.206 nan 8.180 nan 0.000 0.573 217 S N 2.686 118.010 115.700 -0.627 0.000 2.584 217 S HA 0.136 4.602 4.470 -0.007 0.000 0.270 217 S C -1.687 172.627 174.600 -0.477 0.000 1.346 217 S CA -0.949 56.373 58.200 -1.464 0.000 1.018 217 S CB 1.048 63.557 63.200 -1.152 0.000 0.899 217 S HN 0.286 nan 8.310 nan 0.000 0.542 218 P HA -0.185 nan 4.420 nan 0.000 0.217 218 P C 0.863 178.128 177.300 -0.058 0.000 1.158 218 P CA 1.789 64.849 63.100 -0.068 0.000 0.887 218 P CB -0.261 31.448 31.700 0.015 0.000 0.792 219 N N -1.730 116.925 118.700 -0.076 0.000 2.276 219 N HA 0.126 4.862 4.740 -0.007 0.000 0.212 219 N C 0.958 176.402 175.510 -0.110 0.000 1.127 219 N CA 0.396 53.402 53.050 -0.074 0.000 0.834 219 N CB -1.004 37.453 38.487 -0.049 0.000 1.014 219 N HN 0.169 nan 8.380 nan 0.000 0.491 220 G N -0.795 107.946 108.800 -0.098 0.000 2.179 220 G HA2 -0.334 3.622 3.960 -0.007 0.000 0.257 220 G HA3 -0.334 3.622 3.960 -0.007 0.000 0.257 220 G C 0.793 175.723 174.900 0.050 0.000 1.010 220 G CA 0.913 45.977 45.100 -0.059 0.000 0.736 220 G HN 0.401 nan 8.290 nan 0.000 0.513 221 T N -0.451 114.061 114.554 -0.071 0.000 2.809 221 T HA 0.261 4.607 4.350 -0.007 0.000 0.260 221 T C 0.805 175.327 174.700 -0.297 0.000 1.039 221 T CA 1.118 63.058 62.100 -0.267 0.000 1.141 221 T CB -0.034 68.527 68.868 -0.511 0.000 0.869 221 T HN 0.286 nan 8.240 nan 0.000 0.437 222 F N 0.605 120.591 119.950 0.059 0.000 2.425 222 F HA 0.623 5.146 4.527 -0.007 0.000 0.331 222 F C -0.260 175.600 175.800 0.100 0.000 1.085 222 F CA -1.565 56.507 58.000 0.119 0.000 1.028 222 F CB 1.076 40.242 39.000 0.277 0.000 1.177 222 F HN -0.096 nan 8.300 nan 0.000 0.487 223 L N 2.970 124.312 121.223 0.199 0.000 2.316 223 L HA 0.799 5.135 4.340 -0.007 0.000 0.280 223 L C -0.544 176.402 176.870 0.126 0.000 1.006 223 L CA -0.484 54.280 54.840 -0.128 0.000 0.836 223 L CB 0.687 42.345 42.059 -0.668 0.000 1.221 223 L HN 0.681 nan 8.230 nan 0.000 0.418 224 A N 4.799 127.781 122.820 0.270 0.000 2.303 224 A HA 0.780 5.096 4.320 -0.007 0.000 0.317 224 A C -1.367 176.293 177.584 0.126 0.000 1.149 224 A CA -0.234 51.867 52.037 0.108 0.000 0.822 224 A CB 0.586 19.731 19.000 0.243 0.000 1.131 224 A HN 0.895 nan 8.150 nan 0.000 0.493 225 Y N -1.833 118.231 120.300 -0.392 0.000 2.624 225 Y HA 0.729 5.275 4.550 -0.007 0.000 0.334 225 Y C -0.382 175.316 175.900 -0.337 0.000 1.155 225 Y CA -0.876 57.082 58.100 -0.236 0.000 1.046 225 Y CB 0.812 39.119 38.460 -0.254 0.000 1.316 225 Y HN 0.931 nan 8.280 nan 0.000 0.457 226 A N 2.364 125.233 122.820 0.082 0.000 2.306 226 A HA 0.669 4.985 4.320 -0.007 0.000 0.330 226 A C -1.102 176.382 177.584 -0.168 0.000 1.146 226 A CA -0.815 51.155 52.037 -0.112 0.000 0.827 226 A CB 1.609 20.497 19.000 -0.187 0.000 1.178 226 A HN 0.825 nan 8.150 nan 0.000 0.490 227 Q N 1.391 121.036 119.800 -0.258 0.000 2.310 227 Q HA 0.589 4.925 4.340 -0.007 0.000 0.270 227 Q C -2.037 173.780 176.000 -0.306 0.000 1.025 227 Q CA -0.361 55.380 55.803 -0.103 0.000 0.772 227 Q CB 0.917 29.791 28.738 0.226 0.000 1.253 227 Q HN 0.577 nan 8.270 nan 0.000 0.450 228 F N 2.290 122.341 119.950 0.169 0.000 2.422 228 F HA 0.438 4.961 4.527 -0.007 0.000 0.333 228 F C 0.470 176.431 175.800 0.268 0.000 1.095 228 F CA -0.850 57.231 58.000 0.135 0.000 1.038 228 F CB 1.350 40.330 39.000 -0.033 0.000 1.156 228 F HN 0.467 nan 8.300 nan 0.000 0.483 229 N N 1.757 120.690 118.700 0.389 0.000 2.483 229 N HA 0.220 4.956 4.740 -0.007 0.000 0.267 229 N C -0.977 174.713 175.510 0.300 0.000 0.998 229 N CA -0.327 52.908 53.050 0.308 0.000 0.918 229 N CB 1.115 39.725 38.487 0.204 0.000 1.215 229 N HN 0.521 nan 8.380 nan 0.000 0.500 230 D N 1.509 122.106 120.400 0.330 0.000 2.463 230 D HA 0.140 4.776 4.640 -0.007 0.000 0.224 230 D C 1.148 177.565 176.300 0.195 0.000 1.174 230 D CA 0.141 54.311 54.000 0.284 0.000 0.829 230 D CB 0.509 41.543 40.800 0.390 0.000 0.993 230 D HN 0.464 nan 8.370 nan 0.000 0.497 231 T N 0.265 114.913 114.554 0.157 0.000 2.665 231 T HA -0.181 4.165 4.350 -0.007 0.000 0.268 231 T C 1.353 176.108 174.700 0.092 0.000 1.035 231 T CA 1.293 63.459 62.100 0.110 0.000 1.151 231 T CB 0.018 68.939 68.868 0.089 0.000 0.862 231 T HN 0.289 nan 8.240 nan 0.000 0.438 232 E N 0.336 120.591 120.200 0.091 0.000 2.476 232 E HA 0.169 4.515 4.350 -0.007 0.000 0.196 232 E C -0.446 176.202 176.600 0.080 0.000 1.029 232 E CA -0.233 56.211 56.400 0.073 0.000 0.896 232 E CB 0.606 30.341 29.700 0.059 0.000 1.012 232 E HN 0.193 nan 8.360 nan 0.000 0.475 233 V N 4.042 124.018 119.914 0.103 0.000 2.446 233 V HA 0.065 4.181 4.120 -0.007 0.000 0.276 233 V C -1.984 174.168 176.094 0.096 0.000 1.030 233 V CA -1.294 61.071 62.300 0.109 0.000 1.033 233 V CB -0.056 31.852 31.823 0.141 0.000 0.993 233 V HN 0.045 nan 8.190 nan 0.000 0.477 234 P HA 0.254 nan 4.420 nan 0.000 0.271 234 P C -0.694 176.645 177.300 0.065 0.000 1.233 234 P CA -0.271 62.868 63.100 0.064 0.000 0.789 234 P CB 0.533 32.268 31.700 0.058 0.000 0.951 235 L N 1.455 122.695 121.223 0.028 0.000 2.307 235 L HA 0.458 4.794 4.340 -0.007 0.000 0.284 235 L C 0.299 177.129 176.870 -0.067 0.000 1.023 235 L CA -1.070 53.770 54.840 0.000 0.000 0.810 235 L CB 1.150 43.204 42.059 -0.010 0.000 1.231 235 L HN 0.272 nan 8.230 nan 0.000 0.423 236 I N 2.690 123.177 120.570 -0.139 0.000 2.441 236 I HA 0.183 4.349 4.170 -0.007 0.000 0.287 236 I C -0.191 175.788 176.117 -0.230 0.000 1.049 236 I CA 0.353 61.476 61.300 -0.295 0.000 1.381 236 I CB 0.627 38.191 38.000 -0.727 0.000 1.409 236 I HN 0.570 nan 8.210 nan 0.000 0.523 237 E N 7.551 127.637 120.200 -0.191 0.000 2.210 237 E HA 0.492 4.838 4.350 -0.007 0.000 0.266 237 E C -1.741 174.801 176.600 -0.096 0.000 0.883 237 E CA -0.588 55.697 56.400 -0.191 0.000 0.761 237 E CB 2.002 31.620 29.700 -0.137 0.000 1.156 237 E HN 0.568 nan 8.360 nan 0.000 0.412 238 Y N -1.760 118.458 120.300 -0.137 0.000 2.609 238 Y HA 0.503 5.049 4.550 -0.007 0.000 0.336 238 Y C -0.678 175.151 175.900 -0.117 0.000 1.129 238 Y CA -1.296 56.729 58.100 -0.125 0.000 1.040 238 Y CB 0.728 39.119 38.460 -0.116 0.000 1.310 238 Y HN 0.190 nan 8.280 nan 0.000 0.460 239 S N 1.975 117.676 115.700 0.002 0.000 2.565 239 S HA 0.415 4.881 4.470 -0.007 0.000 0.276 239 S C -1.293 173.177 174.600 -0.216 0.000 1.326 239 S CA -0.314 57.735 58.200 -0.251 0.000 1.045 239 S CB 0.207 63.085 63.200 -0.537 0.000 0.918 239 S HN 0.544 nan 8.310 nan 0.000 0.505 240 F N 2.382 122.084 119.950 -0.414 0.000 2.477 240 F HA 0.420 4.943 4.527 -0.007 0.000 0.335 240 F C -0.164 175.412 175.800 -0.372 0.000 1.130 240 F CA -0.798 57.033 58.000 -0.280 0.000 0.948 240 F CB 0.824 39.787 39.000 -0.060 0.000 1.154 240 F HN 0.664 nan 8.300 nan 0.000 0.439 241 Y N 2.719 122.767 120.300 -0.420 0.000 2.397 241 Y HA 0.107 4.653 4.550 -0.007 0.000 0.292 241 Y C 1.694 177.475 175.900 -0.197 0.000 1.115 241 Y CA 1.124 59.078 58.100 -0.243 0.000 1.208 241 Y CB -0.434 37.886 38.460 -0.234 0.000 1.046 241 Y HN 0.739 nan 8.280 nan 0.000 0.552 242 S N -0.244 115.270 115.700 -0.311 0.000 3.513 242 S HA -0.240 4.227 4.470 -0.007 0.000 0.636 242 S C -0.556 174.066 174.600 0.036 0.000 2.452 242 S CA 0.111 58.316 58.200 0.008 0.000 2.644 242 S CB -1.170 62.196 63.200 0.276 0.000 0.331 242 S HN 0.461 nan 8.310 nan 0.000 1.787 243 D N 1.524 121.979 120.400 0.091 0.000 2.443 243 D HA 0.158 4.794 4.640 -0.007 0.000 0.234 243 D C 1.396 177.722 176.300 0.044 0.000 1.172 243 D CA 0.771 54.808 54.000 0.062 0.000 0.878 243 D CB 0.168 41.010 40.800 0.070 0.000 1.204 243 D HN 0.574 nan 8.370 nan 0.000 0.453 244 E N 0.448 120.664 120.200 0.026 0.000 2.187 244 E HA -0.268 4.078 4.350 -0.007 0.000 0.199 244 E C 1.414 178.024 176.600 0.017 0.000 1.004 244 E CA 1.452 57.860 56.400 0.013 0.000 0.813 244 E CB 0.111 29.814 29.700 0.005 0.000 0.736 244 E HN 0.477 nan 8.360 nan 0.000 0.468 245 S N 0.003 115.720 115.700 0.029 0.000 2.474 245 S HA -0.062 4.404 4.470 -0.007 0.000 0.235 245 S C 1.113 175.737 174.600 0.040 0.000 0.997 245 S CA 0.018 58.236 58.200 0.031 0.000 0.949 245 S CB -0.128 63.093 63.200 0.036 0.000 0.766 245 S HN 0.244 nan 8.310 nan 0.000 0.517 246 L N 2.418 123.674 121.223 0.054 0.000 2.385 246 L HA 0.161 4.497 4.340 -0.007 0.000 0.281 246 L C 1.551 178.450 176.870 0.049 0.000 1.106 246 L CA -0.001 54.882 54.840 0.072 0.000 0.856 246 L CB 1.007 43.125 42.059 0.098 0.000 1.186 246 L HN 0.425 nan 8.230 nan 0.000 0.453 247 Q N 4.116 123.945 119.800 0.050 0.000 2.137 247 Q HA -0.074 4.262 4.340 -0.007 0.000 0.198 247 Q C -0.619 175.279 176.000 -0.170 0.000 0.960 247 Q CA 1.192 56.965 55.803 -0.050 0.000 0.847 247 Q CB 0.256 28.980 28.738 -0.024 0.000 0.915 247 Q HN 0.599 nan 8.270 nan 0.000 0.448 248 Y N 0.713 121.027 120.300 0.025 0.000 2.341 248 Y HA 0.385 4.931 4.550 -0.007 0.000 0.338 248 Y C -2.069 173.843 175.900 0.021 0.000 0.965 248 Y CA -2.919 55.193 58.100 0.020 0.000 1.108 248 Y CB 1.387 39.851 38.460 0.006 0.000 1.180 248 Y HN 0.141 nan 8.280 nan 0.000 0.458 249 P HA 0.009 nan 4.420 nan 0.000 0.267 249 P C -0.404 176.914 177.300 0.030 0.000 1.200 249 P CA -0.280 62.846 63.100 0.043 0.000 0.772 249 P CB 0.718 32.382 31.700 -0.060 0.000 0.855 250 K N 1.389 121.801 120.400 0.021 0.000 2.202 250 K HA 0.267 4.584 4.320 -0.007 0.000 0.264 250 K C -0.152 176.413 176.600 -0.058 0.000 1.010 250 K CA 0.156 56.450 56.287 0.011 0.000 0.940 250 K CB 0.505 33.047 32.500 0.070 0.000 0.983 250 K HN 0.386 nan 8.250 nan 0.000 0.475 251 T N 2.055 116.557 114.554 -0.085 0.000 2.772 251 T HA 0.251 4.597 4.350 -0.007 0.000 0.288 251 T C -0.307 174.272 174.700 -0.202 0.000 0.994 251 T CA -0.617 61.396 62.100 -0.144 0.000 0.951 251 T CB 1.081 69.878 68.868 -0.118 0.000 0.933 251 T HN 0.144 nan 8.240 nan 0.000 0.447 252 V N 5.309 125.007 119.914 -0.360 0.000 2.498 252 V HA 0.473 4.589 4.120 -0.007 0.000 0.279 252 V C 0.345 176.156 176.094 -0.471 0.000 1.048 252 V CA -0.625 61.399 62.300 -0.461 0.000 0.967 252 V CB 0.835 32.243 31.823 -0.691 0.000 0.988 252 V HN 0.720 nan 8.190 nan 0.000 0.473 253 R N 3.429 123.785 120.500 -0.240 0.000 2.476 253 R HA 0.761 5.097 4.340 -0.007 0.000 0.305 253 R C -1.676 174.605 176.300 -0.032 0.000 0.965 253 R CA -0.571 55.439 56.100 -0.150 0.000 0.867 253 R CB 2.268 32.512 30.300 -0.093 0.000 1.176 253 R HN 0.530 nan 8.270 nan 0.000 0.447 254 V N 3.469 123.372 119.914 -0.018 0.000 2.577 254 V HA 0.372 4.488 4.120 -0.007 0.000 0.303 254 V C -2.409 173.736 176.094 0.085 0.000 1.042 254 V CA -2.482 59.877 62.300 0.099 0.000 0.872 254 V CB 2.150 34.014 31.823 0.069 0.000 0.998 254 V HN 0.631 nan 8.190 nan 0.000 0.423 255 P HA 0.191 nan 4.420 nan 0.000 0.265 255 P C -1.298 176.107 177.300 0.175 0.000 1.222 255 P CA 0.346 63.549 63.100 0.172 0.000 0.767 255 P CB -0.155 31.685 31.700 0.233 0.000 0.801 256 Y N 6.069 126.346 120.300 -0.038 0.000 2.307 256 Y HA 0.391 4.937 4.550 -0.006 0.000 0.323 256 Y C -2.653 173.220 175.900 -0.044 0.000 1.100 256 Y CA -2.717 55.306 58.100 -0.129 0.000 1.140 256 Y CB 2.177 40.447 38.460 -0.317 0.000 1.159 256 Y HN 0.278 nan 8.280 nan 0.000 0.436 257 P HA 0.240 nan 4.420 nan 0.000 0.286 257 P C -1.095 176.221 177.300 0.027 0.000 1.321 257 P CA -0.195 62.921 63.100 0.027 0.000 0.790 257 P CB 1.126 32.836 31.700 0.017 0.000 0.897 258 K N 1.978 122.498 120.400 0.199 0.000 2.120 258 K HA 0.503 4.819 4.320 -0.007 0.000 0.245 258 K C 0.607 177.301 176.600 0.156 0.000 1.024 258 K CA -0.698 55.733 56.287 0.239 0.000 0.906 258 K CB 0.535 33.205 32.500 0.283 0.000 1.051 258 K HN 0.432 nan 8.250 nan 0.000 0.491 259 A N 0.721 123.658 122.820 0.195 0.000 2.567 259 A HA 0.301 4.617 4.320 -0.007 0.000 0.240 259 A C 1.198 178.822 177.584 0.066 0.000 1.053 259 A CA 0.929 53.068 52.037 0.170 0.000 0.755 259 A CB -1.058 18.130 19.000 0.312 0.000 0.978 259 A HN 0.904 nan 8.150 nan 0.000 0.507 260 G N 0.767 109.591 108.800 0.041 0.000 2.179 260 G HA2 0.114 4.070 3.960 -0.007 0.000 0.260 260 G HA3 0.114 4.070 3.960 -0.007 0.000 0.260 260 G C 0.635 175.544 174.900 0.015 0.000 0.977 260 G CA 0.738 45.835 45.100 -0.004 0.000 0.641 260 G HN 2.157 nan 8.290 nan 0.000 0.533 261 A N -0.374 122.472 122.820 0.042 0.000 2.246 261 A HA 0.773 5.089 4.320 -0.007 0.000 0.291 261 A C 0.838 178.449 177.584 0.044 0.000 1.103 261 A CA 0.227 52.292 52.037 0.047 0.000 0.844 261 A CB 0.792 19.835 19.000 0.071 0.000 1.136 261 A HN 1.170 nan 8.150 nan 0.000 0.500 262 V N 2.564 122.506 119.914 0.046 0.000 2.493 262 V HA -0.017 4.099 4.120 -0.007 0.000 0.292 262 V C 0.380 176.512 176.094 0.063 0.000 1.016 262 V CA 0.058 62.386 62.300 0.046 0.000 1.097 262 V CB -0.546 31.306 31.823 0.049 0.000 0.947 262 V HN 0.778 nan 8.190 nan 0.000 0.479 263 N N 6.640 125.374 118.700 0.056 0.000 2.493 263 N HA 0.417 5.153 4.740 -0.007 0.000 0.275 263 N C -2.301 173.282 175.510 0.123 0.000 1.186 263 N CA -1.497 51.607 53.050 0.089 0.000 0.978 263 N CB 0.983 39.507 38.487 0.061 0.000 1.184 263 N HN 0.395 nan 8.380 nan 0.000 0.487 264 P HA 0.052 nan 4.420 nan 0.000 0.269 264 P C -0.351 177.095 177.300 0.245 0.000 1.215 264 P CA -0.073 63.179 63.100 0.253 0.000 0.780 264 P CB 0.270 32.179 31.700 0.349 0.000 0.898 265 T N -1.458 113.222 114.554 0.210 0.000 2.944 265 T HA 0.583 4.929 4.350 -0.007 0.000 0.284 265 T C -0.278 174.544 174.700 0.203 0.000 1.010 265 T CA -0.850 61.337 62.100 0.146 0.000 1.025 265 T CB 1.499 70.415 68.868 0.080 0.000 1.079 265 T HN 0.332 nan 8.240 nan 0.000 0.516 266 V N 0.550 120.555 119.914 0.151 0.000 2.841 266 V HA 0.718 4.834 4.120 -0.007 0.000 0.310 266 V C -1.473 174.698 176.094 0.129 0.000 1.090 266 V CA -0.799 61.557 62.300 0.094 0.000 0.930 266 V CB 1.988 33.911 31.823 0.168 0.000 1.014 266 V HN 1.044 nan 8.190 nan 0.000 0.425 267 K N 4.704 125.114 120.400 0.017 0.000 2.443 267 K HA 0.609 4.925 4.320 -0.007 0.000 0.251 267 K C -1.942 174.569 176.600 -0.149 0.000 0.972 267 K CA -0.566 55.698 56.287 -0.037 0.000 0.833 267 K CB 2.913 35.375 32.500 -0.063 0.000 1.317 267 K HN 0.551 nan 8.250 nan 0.000 0.441 268 F N 2.004 121.618 119.950 -0.559 0.000 2.547 268 F HA 0.532 5.055 4.527 -0.006 0.000 0.316 268 F C -1.557 173.673 175.800 -0.951 0.000 1.121 268 F CA -0.663 56.994 58.000 -0.572 0.000 0.911 268 F CB 0.900 39.721 39.000 -0.298 0.000 1.179 268 F HN 0.374 nan 8.300 nan 0.000 0.443 269 F N 4.234 123.455 119.950 -1.216 0.000 2.577 269 F HA 0.776 5.299 4.527 -0.006 0.000 0.318 269 F C -0.918 174.251 175.800 -1.051 0.000 1.065 269 F CA -1.237 56.150 58.000 -1.021 0.000 0.929 269 F CB 2.132 40.428 39.000 -1.174 0.000 1.237 269 F HN 0.109 nan 8.300 nan 0.000 0.468 270 V N 2.628 122.337 119.914 -0.341 0.000 2.577 270 V HA 0.571 4.687 4.120 -0.007 0.000 0.303 270 V C -1.065 175.119 176.094 0.150 0.000 1.042 270 V CA -0.818 61.376 62.300 -0.177 0.000 0.872 270 V CB 1.776 33.328 31.823 -0.451 0.000 0.998 270 V HN 0.611 nan 8.190 nan 0.000 0.423 271 V N 3.874 123.937 119.914 0.248 0.000 2.628 271 V HA 0.580 4.696 4.120 -0.007 0.000 0.306 271 V C -0.328 175.969 176.094 0.339 0.000 1.045 271 V CA -0.585 61.882 62.300 0.278 0.000 0.905 271 V CB 2.144 34.081 31.823 0.190 0.000 0.997 271 V HN 0.937 nan 8.190 nan 0.000 0.436 272 N N 3.266 122.147 118.700 0.302 0.000 2.406 272 N HA 0.148 4.884 4.740 -0.007 0.000 0.251 272 N C 1.013 176.524 175.510 0.002 0.000 1.069 272 N CA 0.548 53.680 53.050 0.136 0.000 0.947 272 N CB 1.649 40.202 38.487 0.111 0.000 1.111 272 N HN 0.877 nan 8.380 nan 0.000 0.497 273 T N -0.569 113.967 114.554 -0.031 0.000 3.113 273 T HA 0.049 4.395 4.350 -0.007 0.000 0.256 273 T C 0.662 175.311 174.700 -0.085 0.000 1.131 273 T CA 0.529 62.615 62.100 -0.022 0.000 1.074 273 T CB 0.180 69.134 68.868 0.143 0.000 0.944 273 T HN 0.283 nan 8.240 nan 0.000 0.516 274 D N 1.969 122.295 120.400 -0.123 0.000 2.333 274 D HA 0.044 4.681 4.640 -0.007 0.000 0.208 274 D C 1.303 177.543 176.300 -0.099 0.000 0.984 274 D CA 0.750 54.680 54.000 -0.117 0.000 0.873 274 D CB 0.235 40.949 40.800 -0.143 0.000 0.935 274 D HN 0.638 nan 8.370 nan 0.000 0.521 275 S N 0.258 115.902 115.700 -0.093 0.000 2.581 275 S HA 0.254 4.720 4.470 -0.007 0.000 0.245 275 S C 0.092 174.638 174.600 -0.091 0.000 1.115 275 S CA -0.661 57.502 58.200 -0.061 0.000 1.093 275 S CB 0.136 63.331 63.200 -0.008 0.000 0.853 275 S HN -0.147 nan 8.310 nan 0.000 0.479 276 L N 2.376 123.474 121.223 -0.208 0.000 2.349 276 L HA 0.606 4.942 4.340 -0.007 0.000 0.275 276 L C 0.414 177.132 176.870 -0.253 0.000 1.115 276 L CA 0.296 54.922 54.840 -0.356 0.000 0.820 276 L CB 1.294 42.842 42.059 -0.852 0.000 1.135 276 L HN 0.455 nan 8.230 nan 0.000 0.445 277 S N 0.762 116.430 115.700 -0.054 0.000 2.566 277 S HA 0.504 4.970 4.470 -0.007 0.000 0.298 277 S C 0.834 175.599 174.600 0.274 0.000 1.083 277 S CA -0.425 57.843 58.200 0.113 0.000 0.978 277 S CB 1.567 64.814 63.200 0.079 0.000 1.073 277 S HN 0.622 nan 8.310 nan 0.000 0.491 278 S N 1.741 117.597 115.700 0.260 0.000 2.406 278 S HA -0.018 4.448 4.470 -0.007 0.000 0.224 278 S C 1.770 176.458 174.600 0.147 0.000 1.030 278 S CA 0.795 59.123 58.200 0.213 0.000 0.958 278 S CB -0.154 63.132 63.200 0.144 0.000 0.811 278 S HN 0.579 nan 8.310 nan 0.000 0.489 279 V N 2.090 122.072 119.914 0.113 0.000 2.548 279 V HA -0.004 4.112 4.120 -0.007 0.000 0.249 279 V C 1.215 177.351 176.094 0.071 0.000 1.055 279 V CA 1.284 63.631 62.300 0.079 0.000 1.065 279 V CB -1.014 30.845 31.823 0.059 0.000 0.681 279 V HN 0.630 nan 8.190 nan 0.000 0.462 280 T N -1.650 112.955 114.554 0.086 0.000 2.887 280 T HA 0.439 4.785 4.350 -0.007 0.000 0.288 280 T C -0.453 174.308 174.700 0.102 0.000 1.021 280 T CA -0.827 61.314 62.100 0.068 0.000 1.000 280 T CB 1.624 70.523 68.868 0.051 0.000 1.034 280 T HN 0.061 nan 8.240 nan 0.000 0.467 281 N N 1.566 120.312 118.700 0.075 0.000 2.497 281 N HA 0.405 5.141 4.740 -0.007 0.000 0.268 281 N C 0.381 175.962 175.510 0.118 0.000 1.171 281 N CA -0.129 52.999 53.050 0.129 0.000 0.948 281 N CB 0.840 39.342 38.487 0.024 0.000 1.069 281 N HN 0.992 nan 8.380 nan 0.000 0.460 282 A N 1.875 124.783 122.820 0.146 0.000 2.561 282 A HA 0.101 4.417 4.320 -0.007 0.000 0.234 282 A C 0.743 178.383 177.584 0.094 0.000 1.055 282 A CA 0.184 52.279 52.037 0.097 0.000 0.756 282 A CB -0.045 18.996 19.000 0.067 0.000 0.986 282 A HN 0.560 nan 8.150 nan 0.000 0.505 283 T N 1.939 116.551 114.554 0.098 0.000 2.753 283 T HA 0.476 4.822 4.350 -0.007 0.000 0.297 283 T C -0.106 174.684 174.700 0.150 0.000 0.981 283 T CA -0.326 61.842 62.100 0.113 0.000 0.956 283 T CB -0.178 68.758 68.868 0.114 0.000 0.936 283 T HN 0.527 nan 8.240 nan 0.000 0.463 284 S N 6.068 121.853 115.700 0.142 0.000 2.438 284 S HA 0.470 4.936 4.470 -0.007 0.000 0.293 284 S C 0.204 174.962 174.600 0.263 0.000 1.141 284 S CA -0.838 57.475 58.200 0.188 0.000 1.080 284 S CB 0.223 63.482 63.200 0.098 0.000 0.978 284 S HN 0.655 nan 8.310 nan 0.000 0.479 285 I N 3.576 124.306 120.570 0.267 0.000 2.352 285 I HA 0.239 4.405 4.170 -0.007 0.000 0.290 285 I C 0.657 176.861 176.117 0.144 0.000 1.036 285 I CA -0.146 61.305 61.300 0.252 0.000 1.336 285 I CB 0.413 38.636 38.000 0.371 0.000 1.407 285 I HN 0.641 nan 8.210 nan 0.000 0.497 286 Q N 6.130 125.983 119.800 0.089 0.000 2.288 286 Q HA 0.468 4.804 4.340 -0.007 0.000 0.254 286 Q C -1.000 174.912 176.000 -0.147 0.000 0.932 286 Q CA -0.437 55.212 55.803 -0.256 0.000 0.902 286 Q CB 1.307 29.855 28.738 -0.318 0.000 1.203 286 Q HN 0.568 nan 8.270 nan 0.000 0.415 287 I N 3.940 124.407 120.570 -0.172 0.000 2.354 287 I HA 0.184 4.350 4.170 -0.007 0.000 0.286 287 I C 0.332 176.414 176.117 -0.058 0.000 1.007 287 I CA -0.673 60.598 61.300 -0.047 0.000 1.167 287 I CB 1.524 39.531 38.000 0.011 0.000 1.320 287 I HN 0.653 nan 8.210 nan 0.000 0.458 288 T N 2.987 117.472 114.554 -0.115 0.000 2.899 288 T HA 0.592 4.938 4.350 -0.007 0.000 0.295 288 T C 0.399 174.874 174.700 -0.376 0.000 1.033 288 T CA -0.843 61.130 62.100 -0.212 0.000 1.084 288 T CB 1.446 70.198 68.868 -0.193 0.000 0.979 288 T HN 0.585 nan 8.240 nan 0.000 0.532 289 A N 3.639 126.001 122.820 -0.763 0.000 2.386 289 A HA 0.574 4.890 4.320 -0.007 0.000 0.248 289 A C -1.813 175.298 177.584 -0.787 0.000 1.082 289 A CA -1.567 49.626 52.037 -1.407 0.000 0.789 289 A CB -0.594 17.185 19.000 -2.035 0.000 1.025 289 A HN 0.812 nan 8.150 nan 0.000 0.490 290 P HA 0.170 nan 4.420 nan 0.000 0.272 290 P C 0.784 177.879 177.300 -0.342 0.000 1.230 290 P CA 0.492 63.368 63.100 -0.373 0.000 0.788 290 P CB 0.791 32.340 31.700 -0.250 0.000 0.949 291 A N 2.316 125.000 122.820 -0.226 0.000 1.917 291 A HA -0.216 4.100 4.320 -0.007 0.000 0.219 291 A C 2.204 179.680 177.584 -0.180 0.000 1.182 291 A CA 2.561 54.485 52.037 -0.188 0.000 0.633 291 A CB -1.865 17.057 19.000 -0.130 0.000 0.819 291 A HN 0.682 nan 8.150 nan 0.000 0.448 292 S N -1.502 114.111 115.700 -0.145 0.000 2.500 292 S HA -0.053 4.414 4.470 -0.007 0.000 0.239 292 S C 1.651 176.170 174.600 -0.136 0.000 0.989 292 S CA 1.475 59.607 58.200 -0.114 0.000 0.951 292 S CB -0.265 62.928 63.200 -0.012 0.000 0.759 292 S HN 0.442 nan 8.310 nan 0.000 0.523 293 M N 0.401 119.858 119.600 -0.238 0.000 2.657 293 M HA 0.359 4.835 4.480 -0.007 0.000 0.262 293 M C 1.925 177.937 176.300 -0.480 0.000 1.213 293 M CA 0.572 55.661 55.300 -0.351 0.000 1.182 293 M CB -0.888 31.386 32.600 -0.544 0.000 1.303 293 M HN 0.317 nan 8.290 nan 0.000 0.501 294 L N 0.130 121.072 121.223 -0.468 0.000 2.275 294 L HA -0.149 4.188 4.340 -0.007 0.000 0.215 294 L C 2.344 179.142 176.870 -0.119 0.000 1.119 294 L CA 0.478 55.140 54.840 -0.297 0.000 0.790 294 L CB -0.744 41.161 42.059 -0.256 0.000 0.919 294 L HN 0.171 nan 8.230 nan 0.000 0.443 295 I N -0.268 120.227 120.570 -0.125 0.000 2.502 295 I HA -0.167 3.999 4.170 -0.007 0.000 0.258 295 I C 1.138 177.230 176.117 -0.041 0.000 1.172 295 I CA 1.287 62.539 61.300 -0.081 0.000 1.430 295 I CB -0.188 37.754 38.000 -0.097 0.000 1.086 295 I HN 0.229 nan 8.210 nan 0.000 0.440 296 G N -1.841 106.956 108.800 -0.005 0.000 2.664 296 G HA2 0.226 4.182 3.960 -0.007 0.000 0.303 296 G HA3 0.226 4.182 3.960 -0.007 0.000 0.303 296 G C -1.592 173.370 174.900 0.104 0.000 1.243 296 G CA -0.606 44.509 45.100 0.024 0.000 0.826 296 G HN -0.085 nan 8.290 nan 0.000 0.498 297 D N 1.399 121.807 120.400 0.013 0.000 2.424 297 D HA 0.444 5.080 4.640 -0.007 0.000 0.244 297 D C 0.308 176.558 176.300 -0.084 0.000 1.134 297 D CA 0.702 54.649 54.000 -0.089 0.000 0.881 297 D CB 0.443 41.156 40.800 -0.145 0.000 1.191 297 D HN 0.545 nan 8.370 nan 0.000 0.445 298 H N -0.658 118.273 119.070 -0.232 0.000 2.948 298 H HA 0.437 4.989 4.556 -0.007 0.000 0.315 298 H C -1.386 173.806 175.328 -0.227 0.000 1.360 298 H CA -0.811 55.117 56.048 -0.200 0.000 1.125 298 H CB 0.319 30.087 29.762 0.009 0.000 1.844 298 H HN 0.294 nan 8.280 nan 0.000 0.529 299 Y N -0.034 120.485 120.300 0.365 0.000 2.576 299 Y HA 0.411 4.957 4.550 -0.007 0.000 0.346 299 Y C -0.353 175.814 175.900 0.444 0.000 1.018 299 Y CA -1.176 57.141 58.100 0.360 0.000 1.050 299 Y CB 1.942 40.468 38.460 0.109 0.000 1.280 299 Y HN 0.476 nan 8.280 nan 0.000 0.474 300 L N 2.777 124.329 121.223 0.549 0.000 2.265 300 L HA 0.402 4.738 4.340 -0.007 0.000 0.288 300 L C 0.409 177.299 176.870 0.033 0.000 1.058 300 L CA -0.204 54.617 54.840 -0.031 0.000 0.809 300 L CB 0.485 42.412 42.059 -0.220 0.000 1.179 300 L HN 1.003 nan 8.230 nan 0.000 0.429 301 C N 0.837 120.017 119.300 -0.199 0.000 3.545 301 C HA 0.577 5.033 4.460 -0.007 0.000 0.368 301 C C 0.240 175.071 174.990 -0.265 0.000 1.400 301 C CA -0.153 58.687 59.018 -0.298 0.000 1.848 301 C CB -0.876 26.753 27.740 -0.186 0.000 2.576 301 C HN 0.863 nan 8.230 nan 0.000 0.683 302 D N -0.067 120.203 120.400 -0.216 0.000 2.927 302 D HA 0.602 5.239 4.640 -0.007 0.000 0.219 302 D C -1.454 174.600 176.300 -0.410 0.000 1.248 302 D CA -0.174 53.731 54.000 -0.159 0.000 0.861 302 D CB 2.370 43.064 40.800 -0.177 0.000 1.677 302 D HN 0.053 nan 8.370 nan 0.000 0.511 303 V N 2.565 122.176 119.914 -0.505 0.000 2.531 303 V HA 0.683 4.799 4.120 -0.007 0.000 0.301 303 V C -0.576 175.158 176.094 -0.601 0.000 1.034 303 V CA -0.488 61.267 62.300 -0.908 0.000 0.865 303 V CB 1.948 32.666 31.823 -1.841 0.000 0.995 303 V HN 0.729 nan 8.190 nan 0.000 0.424 304 T N 3.394 117.666 114.554 -0.469 0.000 3.109 304 T HA 0.335 4.681 4.350 -0.007 0.000 0.311 304 T C -0.978 173.597 174.700 -0.209 0.000 1.011 304 T CA -0.469 61.522 62.100 -0.183 0.000 1.026 304 T CB 0.819 69.660 68.868 -0.044 0.000 1.047 304 T HN 0.528 nan 8.240 nan 0.000 0.448 305 W N 2.290 123.545 121.300 -0.074 0.000 2.253 305 W HA 0.480 5.136 4.660 -0.007 0.000 0.322 305 W C 1.168 177.582 176.519 -0.175 0.000 1.342 305 W CA -0.379 56.915 57.345 -0.085 0.000 1.218 305 W CB 0.568 30.058 29.460 0.050 0.000 1.205 305 W HN 0.876 nan 8.180 nan 0.000 0.551 306 A N 2.330 125.029 122.820 -0.202 0.000 1.901 306 A HA 0.150 4.466 4.320 -0.007 0.000 0.210 306 A C 1.030 178.557 177.584 -0.096 0.000 1.208 306 A CA 1.637 53.308 52.037 -0.611 0.000 0.644 306 A CB -0.392 17.779 19.000 -1.383 0.000 0.863 306 A HN 0.538 nan 8.150 nan 0.000 0.454 307 T N -5.637 108.966 114.554 0.082 0.000 2.618 307 T HA 0.338 4.684 4.350 -0.007 0.000 0.286 307 T C 0.219 175.086 174.700 0.279 0.000 1.027 307 T CA -0.325 61.872 62.100 0.163 0.000 1.063 307 T CB 0.600 69.543 68.868 0.125 0.000 1.440 307 T HN -0.014 nan 8.240 nan 0.000 0.505 308 Q N 0.248 120.179 119.800 0.218 0.000 2.291 308 Q HA 0.065 4.401 4.340 -0.007 0.000 0.205 308 Q C 0.942 177.202 176.000 0.432 0.000 0.970 308 Q CA 1.380 57.321 55.803 0.229 0.000 0.876 308 Q CB -0.030 28.800 28.738 0.153 0.000 0.935 308 Q HN 0.803 nan 8.270 nan 0.000 0.455 309 E N -0.197 120.251 120.200 0.412 0.000 2.759 309 E HA 0.168 4.514 4.350 -0.007 0.000 0.220 309 E C -0.182 176.651 176.600 0.388 0.000 0.974 309 E CA -0.165 56.473 56.400 0.397 0.000 1.148 309 E CB 1.067 30.911 29.700 0.239 0.000 1.059 309 E HN -0.024 nan 8.360 nan 0.000 0.493 310 R N 1.599 122.353 120.500 0.423 0.000 2.532 310 R HA 0.524 4.860 4.340 -0.007 0.000 0.297 310 R C -1.681 174.650 176.300 0.051 0.000 0.984 310 R CA -0.409 55.829 56.100 0.231 0.000 0.884 310 R CB 1.294 31.620 30.300 0.042 0.000 1.182 310 R HN 0.033 nan 8.270 nan 0.000 0.442 311 I N 3.109 123.568 120.570 -0.185 0.000 2.608 311 I HA 0.413 4.579 4.170 -0.007 0.000 0.295 311 I C -0.984 174.838 176.117 -0.492 0.000 1.049 311 I CA -0.531 60.397 61.300 -0.619 0.000 1.063 311 I CB 2.253 39.476 38.000 -1.294 0.000 1.248 311 I HN 0.841 nan 8.210 nan 0.000 0.424 312 S N 7.877 123.274 115.700 -0.505 0.000 2.454 312 S HA 0.692 5.158 4.470 -0.007 0.000 0.306 312 S C -1.142 173.157 174.600 -0.501 0.000 1.100 312 S CA -0.794 57.180 58.200 -0.377 0.000 1.087 312 S CB 1.480 64.572 63.200 -0.180 0.000 1.019 312 S HN 0.406 nan 8.310 nan 0.000 0.480 313 L N 2.743 123.673 121.223 -0.488 0.000 2.346 313 L HA 0.565 4.901 4.340 -0.007 0.000 0.276 313 L C -0.001 176.572 176.870 -0.495 0.000 1.006 313 L CA -0.341 54.103 54.840 -0.661 0.000 0.817 313 L CB 1.377 42.955 42.059 -0.802 0.000 1.272 313 L HN 0.847 nan 8.230 nan 0.000 0.421 314 Q N 1.862 121.320 119.800 -0.570 0.000 2.316 314 Q HA 0.467 4.803 4.340 -0.007 0.000 0.264 314 Q C -1.541 174.195 176.000 -0.440 0.000 0.987 314 Q CA -0.433 55.156 55.803 -0.357 0.000 0.852 314 Q CB 2.263 30.852 28.738 -0.248 0.000 1.287 314 Q HN 0.464 nan 8.270 nan 0.000 0.448 315 W N 2.372 123.621 121.300 -0.085 0.000 2.706 315 W HA 0.653 5.309 4.660 -0.007 0.000 0.346 315 W C -0.762 175.783 176.519 0.043 0.000 1.071 315 W CA -0.553 56.792 57.345 -0.000 0.000 1.206 315 W CB 1.233 30.676 29.460 -0.028 0.000 1.413 315 W HN 0.293 nan 8.180 nan 0.000 0.542 316 L N 2.821 124.269 121.223 0.375 0.000 2.410 316 L HA 0.514 4.851 4.340 -0.007 0.000 0.270 316 L C 0.163 177.228 176.870 0.324 0.000 0.983 316 L CA -1.116 53.903 54.840 0.298 0.000 0.822 316 L CB 1.615 43.838 42.059 0.274 0.000 1.285 316 L HN 0.478 nan 8.230 nan 0.000 0.409 317 R N 2.065 122.720 120.500 0.258 0.000 2.694 317 R HA 0.091 4.427 4.340 -0.007 0.000 0.268 317 R C 0.972 177.343 176.300 0.119 0.000 1.061 317 R CA -0.142 56.061 56.100 0.173 0.000 1.133 317 R CB 0.809 31.198 30.300 0.148 0.000 1.020 317 R HN 0.616 nan 8.270 nan 0.000 0.475 318 R N 1.603 122.090 120.500 -0.021 0.000 2.105 318 R HA -0.074 4.262 4.340 -0.007 0.000 0.239 318 R C 0.462 176.809 176.300 0.079 0.000 1.135 318 R CA 1.233 57.299 56.100 -0.056 0.000 0.967 318 R CB -0.031 30.186 30.300 -0.139 0.000 0.861 318 R HN 0.499 nan 8.270 nan 0.000 0.442 319 I N 2.429 123.033 120.570 0.057 0.000 2.406 319 I HA -0.033 4.133 4.170 -0.007 0.000 0.293 319 I C 0.385 176.560 176.117 0.098 0.000 1.101 319 I CA 0.401 61.738 61.300 0.061 0.000 1.334 319 I CB 1.234 39.258 38.000 0.040 0.000 1.421 319 I HN 0.249 nan 8.210 nan 0.000 0.513 320 Q N 5.101 124.954 119.800 0.088 0.000 2.292 320 Q HA -0.000 4.336 4.340 -0.007 0.000 0.247 320 Q C 0.484 176.561 176.000 0.129 0.000 0.911 320 Q CA -0.052 55.818 55.803 0.111 0.000 0.948 320 Q CB -0.303 28.458 28.738 0.038 0.000 1.093 320 Q HN 0.658 nan 8.270 nan 0.000 0.428 321 N N -0.816 117.961 118.700 0.128 0.000 2.204 321 N HA -0.038 4.698 4.740 -0.007 0.000 0.219 321 N C -1.031 174.578 175.510 0.165 0.000 1.151 321 N CA -0.215 52.902 53.050 0.111 0.000 0.867 321 N CB 0.299 38.827 38.487 0.067 0.000 1.043 321 N HN 0.182 nan 8.380 nan 0.000 0.516 322 Y N 1.221 121.544 120.300 0.039 0.000 2.332 322 Y HA 0.520 5.066 4.550 -0.006 0.000 0.325 322 Y C -1.162 174.769 175.900 0.053 0.000 1.054 322 Y CA -0.859 57.261 58.100 0.034 0.000 1.119 322 Y CB 1.392 39.864 38.460 0.021 0.000 1.168 322 Y HN 0.161 nan 8.280 nan 0.000 0.439 323 S N 4.362 119.912 115.700 -0.250 0.000 2.548 323 S HA 0.909 5.375 4.470 -0.007 0.000 0.286 323 S C -1.864 172.599 174.600 -0.228 0.000 1.098 323 S CA -0.742 57.391 58.200 -0.113 0.000 0.930 323 S CB 1.903 65.088 63.200 -0.025 0.000 1.070 323 S HN 0.418 nan 8.310 nan 0.000 0.480 324 V N 3.225 123.108 119.914 -0.051 0.000 2.588 324 V HA 0.564 4.680 4.120 -0.007 0.000 0.304 324 V C -0.245 175.868 176.094 0.033 0.000 1.042 324 V CA -0.738 61.542 62.300 -0.033 0.000 0.877 324 V CB 1.697 33.532 31.823 0.021 0.000 0.996 324 V HN 1.060 nan 8.190 nan 0.000 0.425 325 M N 3.667 123.258 119.600 -0.015 0.000 2.180 325 M HA 0.577 5.054 4.480 -0.007 0.000 0.350 325 M C -1.191 175.111 176.300 0.005 0.000 1.125 325 M CA -0.051 55.223 55.300 -0.044 0.000 1.031 325 M CB 1.162 33.672 32.600 -0.149 0.000 1.623 325 M HN 0.534 nan 8.290 nan 0.000 0.451 326 D N 5.201 125.600 120.400 -0.002 0.000 2.168 326 D HA 0.498 5.134 4.640 -0.007 0.000 0.246 326 D C -1.075 175.188 176.300 -0.062 0.000 1.050 326 D CA -0.022 53.973 54.000 -0.008 0.000 0.857 326 D CB 1.812 42.630 40.800 0.030 0.000 1.169 326 D HN 0.661 nan 8.370 nan 0.000 0.453 327 I N 2.389 122.945 120.570 -0.024 0.000 2.362 327 I HA 0.257 4.423 4.170 -0.007 0.000 0.289 327 I C -0.555 175.552 176.117 -0.017 0.000 0.994 327 I CA -0.345 60.934 61.300 -0.035 0.000 1.158 327 I CB 1.191 39.218 38.000 0.044 0.000 1.315 327 I HN 0.214 nan 8.210 nan 0.000 0.451 328 c N 4.097 122.681 118.600 -0.026 0.000 2.408 328 c HA 0.542 5.108 4.570 -0.007 0.000 0.321 328 c C -0.514 173.719 174.090 0.239 0.000 1.245 328 c CA -0.783 55.597 56.329 0.086 0.000 1.523 328 c CB 0.933 43.480 42.510 0.062 0.000 2.178 328 c HN 0.594 nan 8.230 nan 0.000 0.488 329 D N 0.567 121.085 120.400 0.196 0.000 2.256 329 D HA 0.320 4.956 4.640 -0.007 0.000 0.246 329 D C -0.643 175.548 176.300 -0.181 0.000 1.042 329 D CA -0.208 53.843 54.000 0.087 0.000 0.841 329 D CB 0.821 41.625 40.800 0.007 0.000 1.223 329 D HN 0.557 nan 8.370 nan 0.000 0.470 330 Y N 1.989 121.788 120.300 -0.835 0.000 2.465 330 Y HA 0.116 4.662 4.550 -0.007 0.000 0.331 330 Y C 0.011 175.575 175.900 -0.561 0.000 1.102 330 Y CA 0.122 57.423 58.100 -1.331 0.000 1.358 330 Y CB 0.567 38.097 38.460 -1.551 0.000 1.213 330 Y HN 0.218 nan 8.280 nan 0.000 0.525 331 D N 5.698 125.494 120.400 -1.006 0.000 2.396 331 D HA 0.048 4.684 4.640 -0.007 0.000 0.225 331 D C 0.588 176.366 176.300 -0.871 0.000 1.121 331 D CA -0.054 53.544 54.000 -0.670 0.000 0.853 331 D CB 1.078 41.633 40.800 -0.408 0.000 1.043 331 D HN 0.905 nan 8.370 nan 0.000 0.500 332 E N 1.699 121.577 120.200 -0.538 0.000 2.204 332 E HA -0.182 4.164 4.350 -0.007 0.000 0.195 332 E C 1.725 178.209 176.600 -0.193 0.000 0.990 332 E CA 1.332 57.554 56.400 -0.296 0.000 0.821 332 E CB 0.391 30.067 29.700 -0.040 0.000 0.750 332 E HN 0.505 nan 8.360 nan 0.000 0.477 333 S N -0.950 114.640 115.700 -0.183 0.000 2.371 333 S HA -0.033 4.433 4.470 -0.007 0.000 0.221 333 S C 2.154 176.682 174.600 -0.120 0.000 1.036 333 S CA 0.869 59.001 58.200 -0.113 0.000 0.965 333 S CB -0.040 63.109 63.200 -0.085 0.000 0.845 333 S HN 0.089 nan 8.310 nan 0.000 0.475 334 S N 1.254 116.849 115.700 -0.176 0.000 2.368 334 S HA 0.288 4.754 4.470 -0.007 0.000 0.224 334 S C 1.833 176.356 174.600 -0.128 0.000 1.029 334 S CA 0.973 59.088 58.200 -0.141 0.000 0.988 334 S CB -0.997 62.107 63.200 -0.159 0.000 0.838 334 S HN 1.187 nan 8.310 nan 0.000 0.462 335 G N 1.428 110.075 108.800 -0.255 0.000 2.179 335 G HA2 -0.250 3.706 3.960 -0.007 0.000 0.260 335 G HA3 -0.250 3.706 3.960 -0.007 0.000 0.260 335 G C 0.136 174.995 174.900 -0.067 0.000 0.977 335 G CA 0.129 45.156 45.100 -0.121 0.000 0.641 335 G HN 0.448 nan 8.290 nan 0.000 0.533 336 R N -1.567 118.803 120.500 -0.216 0.000 2.797 336 R HA 0.649 4.985 4.340 -0.007 0.000 0.251 336 R C -0.843 175.333 176.300 -0.208 0.000 1.107 336 R CA -0.774 55.297 56.100 -0.049 0.000 1.084 336 R CB 0.839 31.134 30.300 -0.008 0.000 1.205 336 R HN 0.135 nan 8.270 nan 0.000 0.515 337 W N 0.655 121.946 121.300 -0.014 0.000 2.475 337 W HA 0.376 5.032 4.660 -0.007 0.000 0.317 337 W C -0.372 176.118 176.519 -0.049 0.000 1.046 337 W CA -0.467 56.866 57.345 -0.021 0.000 1.215 337 W CB 1.187 30.643 29.460 -0.007 0.000 1.335 337 W HN 0.222 nan 8.180 nan 0.000 0.471 338 N N 2.540 121.308 118.700 0.112 0.000 2.372 338 N HA 0.413 5.149 4.740 -0.007 0.000 0.291 338 N C -1.443 174.100 175.510 0.056 0.000 1.024 338 N CA -0.453 52.626 53.050 0.048 0.000 0.873 338 N CB 1.717 40.192 38.487 -0.020 0.000 1.206 338 N HN 0.241 nan 8.380 nan 0.000 0.486 339 c N 3.087 121.703 118.600 0.027 0.000 2.317 339 c HA 0.345 4.912 4.570 -0.007 0.000 0.306 339 c C 0.383 174.465 174.090 -0.014 0.000 1.087 339 c CA -0.972 55.362 56.329 0.009 0.000 1.529 339 c CB -1.349 41.157 42.510 -0.006 0.000 1.880 339 c HN 0.541 nan 8.230 nan 0.000 0.417 340 L N 2.598 123.815 121.223 -0.010 0.000 2.628 340 L HA -0.016 4.320 4.340 -0.007 0.000 0.274 340 L C 1.559 178.408 176.870 -0.036 0.000 1.209 340 L CA 0.764 55.591 54.840 -0.022 0.000 0.930 340 L CB 0.381 42.432 42.059 -0.014 0.000 1.183 340 L HN 0.602 nan 8.230 nan 0.000 0.492 341 V N 3.671 123.558 119.914 -0.045 0.000 2.594 341 V HA -0.278 3.838 4.120 -0.007 0.000 0.253 341 V C 2.161 178.214 176.094 -0.069 0.000 1.069 341 V CA 1.778 64.043 62.300 -0.057 0.000 1.082 341 V CB -0.898 30.893 31.823 -0.054 0.000 0.680 341 V HN 1.017 nan 8.190 nan 0.000 0.469 342 A N -0.222 122.562 122.820 -0.060 0.000 2.121 342 A HA -0.104 4.212 4.320 -0.007 0.000 0.218 342 A C 2.164 179.688 177.584 -0.101 0.000 1.154 342 A CA 0.943 52.938 52.037 -0.069 0.000 0.679 342 A CB -0.321 18.654 19.000 -0.043 0.000 0.795 342 A HN 0.497 nan 8.150 nan 0.000 0.458 343 R N -0.174 120.275 120.500 -0.086 0.000 2.388 343 R HA 0.137 4.473 4.340 -0.007 0.000 0.247 343 R C -0.151 176.042 176.300 -0.179 0.000 0.931 343 R CA -0.067 55.982 56.100 -0.084 0.000 1.082 343 R CB 0.134 30.446 30.300 0.019 0.000 1.135 343 R HN 0.617 nan 8.270 nan 0.000 0.525 344 Q N 0.617 120.281 119.800 -0.227 0.000 2.293 344 Q HA 0.149 4.485 4.340 -0.007 0.000 0.251 344 Q C -0.563 175.191 176.000 -0.411 0.000 0.930 344 Q CA 0.210 55.892 55.803 -0.202 0.000 0.893 344 Q CB 1.097 29.767 28.738 -0.113 0.000 1.215 344 Q HN 0.203 nan 8.270 nan 0.000 0.425 345 H N 2.360 121.400 119.070 -0.049 0.000 2.589 345 H HA 0.404 4.956 4.556 -0.007 0.000 0.351 345 H C -0.721 174.541 175.328 -0.111 0.000 1.074 345 H CA -0.518 55.491 56.048 -0.066 0.000 1.203 345 H CB 1.145 30.846 29.762 -0.102 0.000 1.558 345 H HN 0.486 nan 8.280 nan 0.000 0.522 346 I N 2.073 122.633 120.570 -0.017 0.000 2.359 346 I HA 0.166 4.332 4.170 -0.007 0.000 0.294 346 I C 0.288 176.330 176.117 -0.125 0.000 0.987 346 I CA -0.224 60.983 61.300 -0.156 0.000 1.225 346 I CB 1.669 39.551 38.000 -0.197 0.000 1.366 346 I HN 0.465 nan 8.210 nan 0.000 0.466 347 E N 8.165 128.247 120.200 -0.197 0.000 2.185 347 E HA 0.599 4.946 4.350 -0.007 0.000 0.261 347 E C -1.164 175.332 176.600 -0.174 0.000 0.879 347 E CA -0.714 55.616 56.400 -0.118 0.000 0.756 347 E CB 1.383 31.041 29.700 -0.071 0.000 1.152 347 E HN 0.625 nan 8.360 nan 0.000 0.416 348 M N 1.327 120.866 119.600 -0.102 0.000 2.719 348 M HA 0.658 5.134 4.480 -0.007 0.000 0.291 348 M C -1.040 175.256 176.300 -0.006 0.000 1.264 348 M CA -0.908 54.360 55.300 -0.052 0.000 0.811 348 M CB 2.332 34.934 32.600 0.003 0.000 1.756 348 M HN 0.211 nan 8.290 nan 0.000 0.464 349 S N -0.858 114.847 115.700 0.008 0.000 2.548 349 S HA 0.564 5.030 4.470 -0.007 0.000 0.276 349 S C 0.137 174.725 174.600 -0.020 0.000 1.129 349 S CA -0.073 58.112 58.200 -0.025 0.000 0.931 349 S CB 1.758 64.903 63.200 -0.092 0.000 1.068 349 S HN 0.908 nan 8.310 nan 0.000 0.480 350 T N 0.185 114.726 114.554 -0.022 0.000 3.040 350 T HA 0.038 4.384 4.350 -0.007 0.000 0.252 350 T C 1.684 176.358 174.700 -0.043 0.000 1.064 350 T CA 1.027 63.116 62.100 -0.018 0.000 1.110 350 T CB -0.499 68.366 68.868 -0.004 0.000 0.921 350 T HN 0.701 nan 8.240 nan 0.000 0.480 351 T N -1.533 112.981 114.554 -0.065 0.000 3.057 351 T HA 0.575 4.921 4.350 -0.007 0.000 0.254 351 T C 1.155 175.697 174.700 -0.265 0.000 1.094 351 T CA 0.436 62.495 62.100 -0.069 0.000 1.088 351 T CB 0.241 69.136 68.868 0.045 0.000 0.934 351 T HN 0.606 nan 8.240 nan 0.000 0.497 352 G N 0.313 108.791 108.800 -0.536 0.000 2.696 352 G HA2 0.472 4.429 3.960 -0.007 0.000 0.151 352 G HA3 0.472 4.429 3.960 -0.007 0.000 0.151 352 G C -1.622 173.005 174.900 -0.454 0.000 1.197 352 G CA -0.551 44.046 45.100 -0.838 0.000 1.053 352 G HN 0.506 nan 8.290 nan 0.000 0.546 353 W N -0.162 120.846 121.300 -0.487 0.000 2.353 353 W HA 0.777 5.434 4.660 -0.006 0.000 0.377 353 W C -0.509 175.951 176.519 -0.099 0.000 1.375 353 W CA -1.307 55.906 57.345 -0.221 0.000 1.503 353 W CB 0.779 30.102 29.460 -0.228 0.000 1.345 353 W HN 0.276 nan 8.180 nan 0.000 0.683 354 V N 2.904 122.898 119.914 0.134 0.000 2.394 354 V HA 0.728 4.844 4.120 -0.007 0.000 0.282 354 V C 0.712 176.887 176.094 0.134 0.000 1.031 354 V CA 0.390 62.722 62.300 0.054 0.000 0.881 354 V CB 0.043 31.893 31.823 0.045 0.000 0.982 354 V HN 1.301 nan 8.190 nan 0.000 0.451 355 G N 5.235 114.067 108.800 0.053 0.000 2.757 355 G HA2 -0.169 3.787 3.960 -0.007 0.000 0.638 355 G HA3 -0.169 3.787 3.960 -0.007 0.000 0.638 355 G C 0.270 175.244 174.900 0.123 0.000 1.344 355 G CA 0.130 45.287 45.100 0.094 0.000 0.855 355 G HN 0.613 nan 8.290 nan 0.000 0.537 356 R N -0.960 119.611 120.500 0.119 0.000 2.057 356 R HA 0.194 4.530 4.340 -0.007 0.000 0.229 356 R C 2.022 178.260 176.300 -0.103 0.000 1.136 356 R CA 2.109 58.226 56.100 0.029 0.000 0.952 356 R CB -0.087 30.248 30.300 0.059 0.000 0.848 356 R HN 0.464 nan 8.270 nan 0.000 0.430 357 F N -0.805 119.284 119.950 0.231 0.000 2.778 357 F HA 0.256 4.779 4.527 -0.007 0.000 0.314 357 F C 0.339 176.167 175.800 0.047 0.000 1.073 357 F CA -0.483 57.599 58.000 0.137 0.000 1.218 357 F CB 0.740 39.815 39.000 0.124 0.000 1.037 357 F HN -0.130 nan 8.300 nan 0.000 0.594 358 R N -0.910 119.722 120.500 0.220 0.000 2.692 358 R HA 0.473 4.809 4.340 -0.007 0.000 0.269 358 R C -3.305 173.049 176.300 0.090 0.000 1.030 358 R CA -2.046 54.109 56.100 0.093 0.000 0.882 358 R CB 0.291 30.590 30.300 -0.002 0.000 1.250 358 R HN -0.361 nan 8.270 nan 0.000 0.465 359 P HA -0.075 nan 4.420 nan 0.000 0.264 359 P C -0.294 177.023 177.300 0.029 0.000 1.179 359 P CA 0.238 63.352 63.100 0.023 0.000 0.763 359 P CB 0.706 32.392 31.700 -0.023 0.000 0.806 360 S N 1.647 117.376 115.700 0.047 0.000 2.593 360 S HA 0.089 4.555 4.470 -0.007 0.000 0.269 360 S C 0.132 174.750 174.600 0.030 0.000 1.334 360 S CA -0.654 57.592 58.200 0.077 0.000 1.015 360 S CB 0.060 63.328 63.200 0.113 0.000 0.912 360 S HN 0.457 nan 8.310 nan 0.000 0.541 361 E N 3.574 123.810 120.200 0.059 0.000 2.331 361 E HA 0.369 4.715 4.350 -0.007 0.000 0.272 361 E C -2.749 173.824 176.600 -0.046 0.000 1.036 361 E CA -2.092 54.292 56.400 -0.026 0.000 0.864 361 E CB 0.471 30.158 29.700 -0.023 0.000 1.035 361 E HN 0.305 nan 8.360 nan 0.000 0.408 362 P HA 0.198 nan 4.420 nan 0.000 0.276 362 P C -0.701 176.421 177.300 -0.297 0.000 1.244 362 P CA -0.198 62.729 63.100 -0.288 0.000 0.801 362 P CB 0.648 31.816 31.700 -0.888 0.000 1.006 363 H N 1.545 120.589 119.070 -0.044 0.000 2.860 363 H HA 0.292 4.844 4.556 -0.006 0.000 0.312 363 H C -0.355 175.053 175.328 0.133 0.000 0.995 363 H CA -0.335 55.783 56.048 0.117 0.000 1.311 363 H CB 0.283 30.165 29.762 0.200 0.000 1.478 363 H HN 0.305 nan 8.280 nan 0.000 0.508 364 F N 1.962 122.081 119.950 0.282 0.000 2.399 364 F HA 0.057 4.580 4.527 -0.006 0.000 0.342 364 F C 1.618 177.587 175.800 0.281 0.000 1.106 364 F CA -0.435 57.723 58.000 0.264 0.000 1.196 364 F CB 0.996 40.090 39.000 0.158 0.000 1.163 364 F HN 0.375 nan 8.300 nan 0.000 0.547 365 T N 0.718 115.545 114.554 0.454 0.000 2.802 365 T HA 0.073 4.419 4.350 -0.007 0.000 0.305 365 T C 1.113 175.993 174.700 0.300 0.000 1.053 365 T CA -0.799 61.515 62.100 0.356 0.000 1.058 365 T CB 0.754 69.809 68.868 0.312 0.000 0.988 365 T HN 0.594 nan 8.240 nan 0.000 0.539 366 L N 1.519 122.879 121.223 0.227 0.000 2.013 366 L HA -0.125 4.211 4.340 -0.007 0.000 0.212 366 L C 2.159 179.128 176.870 0.165 0.000 1.073 366 L CA 2.626 57.574 54.840 0.181 0.000 0.753 366 L CB -1.138 41.005 42.059 0.140 0.000 0.890 366 L HN 0.962 nan 8.230 nan 0.000 0.432 367 D N -1.359 119.138 120.400 0.162 0.000 2.269 367 D HA 0.032 4.668 4.640 -0.007 0.000 0.208 367 D C 1.678 178.068 176.300 0.150 0.000 0.963 367 D CA 0.902 54.986 54.000 0.139 0.000 0.864 367 D CB -0.591 40.284 40.800 0.125 0.000 0.936 367 D HN 0.460 nan 8.370 nan 0.000 0.505 368 G N 0.192 109.117 108.800 0.208 0.000 2.143 368 G HA2 -0.330 3.626 3.960 -0.007 0.000 0.248 368 G HA3 -0.330 3.626 3.960 -0.007 0.000 0.248 368 G C 0.791 175.850 174.900 0.265 0.000 0.991 368 G CA 0.365 45.600 45.100 0.225 0.000 0.689 368 G HN 0.349 nan 8.290 nan 0.000 0.522 369 N N 0.121 118.961 118.700 0.233 0.000 2.336 369 N HA 0.253 4.989 4.740 -0.007 0.000 0.189 369 N C 0.540 176.152 175.510 0.170 0.000 1.113 369 N CA 0.982 54.146 53.050 0.189 0.000 0.858 369 N CB 0.499 39.063 38.487 0.128 0.000 0.970 369 N HN 0.451 nan 8.380 nan 0.000 0.471 370 S N -0.461 115.360 115.700 0.202 0.000 2.638 370 S HA 0.727 5.193 4.470 -0.007 0.000 0.274 370 S C -1.232 173.378 174.600 0.017 0.000 1.157 370 S CA -0.865 57.286 58.200 -0.080 0.000 0.826 370 S CB 1.780 64.819 63.200 -0.268 0.000 1.139 370 S HN 0.214 nan 8.310 nan 0.000 0.474 371 F N -1.046 118.587 119.950 -0.529 0.000 2.693 371 F HA 0.770 5.294 4.527 -0.006 0.000 0.309 371 F C -2.136 173.362 175.800 -0.504 0.000 1.129 371 F CA -1.327 56.348 58.000 -0.541 0.000 0.948 371 F CB 0.616 38.981 39.000 -1.059 0.000 1.315 371 F HN 0.498 nan 8.300 nan 0.000 0.447 372 Y N 1.199 121.561 120.300 0.103 0.000 2.387 372 Y HA 0.701 5.247 4.550 -0.007 0.000 0.336 372 Y C -0.235 175.805 175.900 0.232 0.000 1.067 372 Y CA -0.804 57.370 58.100 0.124 0.000 1.114 372 Y CB 2.166 40.695 38.460 0.114 0.000 1.208 372 Y HN 0.725 nan 8.280 nan 0.000 0.458 373 K N 2.840 123.455 120.400 0.358 0.000 2.561 373 K HA 0.463 4.779 4.320 -0.007 0.000 0.254 373 K C -1.776 174.976 176.600 0.254 0.000 0.942 373 K CA -0.469 56.004 56.287 0.310 0.000 0.818 373 K CB 1.287 33.951 32.500 0.273 0.000 1.306 373 K HN 0.693 nan 8.250 nan 0.000 0.435 374 I N 6.640 127.331 120.570 0.202 0.000 2.517 374 I HA 0.203 4.369 4.170 -0.007 0.000 0.285 374 I C 0.307 176.524 176.117 0.168 0.000 1.106 374 I CA -0.034 61.366 61.300 0.166 0.000 1.402 374 I CB 0.087 38.164 38.000 0.129 0.000 1.399 374 I HN 0.481 nan 8.210 nan 0.000 0.535 375 I N 1.915 122.613 120.570 0.213 0.000 3.074 375 I HA 0.509 4.675 4.170 -0.007 0.000 0.310 375 I C -0.245 175.985 176.117 0.188 0.000 1.153 375 I CA -0.828 60.590 61.300 0.195 0.000 0.993 375 I CB 2.128 40.269 38.000 0.235 0.000 1.237 375 I HN 0.330 nan 8.210 nan 0.000 0.443 376 S N 2.652 118.405 115.700 0.089 0.000 2.531 376 S HA 0.227 4.693 4.470 -0.007 0.000 0.279 376 S C 0.013 174.644 174.600 0.051 0.000 1.305 376 S CA -0.504 57.694 58.200 -0.005 0.000 1.058 376 S CB -0.229 62.919 63.200 -0.085 0.000 0.899 376 S HN 0.832 nan 8.310 nan 0.000 0.493 377 N N 3.466 122.099 118.700 -0.112 0.000 2.443 377 N HA 0.121 4.857 4.740 -0.007 0.000 0.294 377 N C 1.164 176.587 175.510 -0.146 0.000 1.289 377 N CA -0.317 52.554 53.050 -0.298 0.000 0.966 377 N CB -0.086 37.867 38.487 -0.890 0.000 1.122 377 N HN 0.646 nan 8.380 nan 0.000 0.569 378 E N -0.269 119.837 120.200 -0.157 0.000 2.204 378 E HA -0.248 4.099 4.350 -0.007 0.000 0.194 378 E C 0.689 177.241 176.600 -0.080 0.000 0.989 378 E CA 1.416 57.767 56.400 -0.082 0.000 0.824 378 E CB -0.470 29.193 29.700 -0.062 0.000 0.756 378 E HN 0.899 nan 8.360 nan 0.000 0.477 379 E N -0.100 120.052 120.200 -0.081 0.000 2.489 379 E HA 0.183 4.529 4.350 -0.007 0.000 0.193 379 E C 0.957 177.535 176.600 -0.038 0.000 1.057 379 E CA 0.431 56.828 56.400 -0.005 0.000 0.866 379 E CB -0.066 29.669 29.700 0.058 0.000 0.916 379 E HN 0.290 nan 8.360 nan 0.000 0.500 380 G N 0.498 109.217 108.800 -0.134 0.000 2.141 380 G HA2 -0.294 3.662 3.960 -0.007 0.000 0.242 380 G HA3 -0.294 3.662 3.960 -0.007 0.000 0.242 380 G C -0.438 174.203 174.900 -0.432 0.000 0.982 380 G CA 0.220 45.145 45.100 -0.292 0.000 0.662 380 G HN 0.328 nan 8.290 nan 0.000 0.527 381 Y N 0.185 120.348 120.300 -0.229 0.000 2.342 381 Y HA 0.636 5.183 4.550 -0.005 0.000 0.334 381 Y C 1.175 176.886 175.900 -0.315 0.000 1.067 381 Y CA -0.856 57.083 58.100 -0.268 0.000 1.128 381 Y CB 1.035 39.349 38.460 -0.242 0.000 1.200 381 Y HN 0.073 nan 8.280 nan 0.000 0.464 382 R N 3.760 124.107 120.500 -0.256 0.000 2.248 382 R HA 0.279 4.615 4.340 -0.007 0.000 0.328 382 R C -0.784 175.214 176.300 -0.504 0.000 1.067 382 R CA -0.070 55.882 56.100 -0.247 0.000 0.924 382 R CB 0.110 30.329 30.300 -0.134 0.000 1.013 382 R HN 0.658 nan 8.270 nan 0.000 0.454 383 H N 1.676 120.716 119.070 -0.050 0.000 2.949 383 H HA 0.336 4.888 4.556 -0.005 0.000 0.356 383 H C -0.214 175.187 175.328 0.121 0.000 1.212 383 H CA -0.969 55.035 56.048 -0.073 0.000 1.136 383 H CB 1.540 31.139 29.762 -0.272 0.000 1.869 383 H HN 0.308 nan 8.280 nan 0.000 0.556 384 I N 1.249 121.930 120.570 0.185 0.000 2.396 384 I HA 0.055 4.221 4.170 -0.007 0.000 0.289 384 I C 0.301 176.483 176.117 0.108 0.000 1.056 384 I CA 0.130 61.504 61.300 0.123 0.000 1.365 384 I CB 0.318 38.311 38.000 -0.011 0.000 1.407 384 I HN 0.134 nan 8.210 nan 0.000 0.509 385 c N 6.929 125.503 118.600 -0.044 0.000 2.382 385 c HA 0.395 4.961 4.570 -0.007 0.000 0.327 385 c C -0.358 173.483 174.090 -0.416 0.000 1.250 385 c CA -0.627 55.395 56.329 -0.511 0.000 1.707 385 c CB 0.732 42.614 42.510 -1.046 0.000 2.272 385 c HN 0.686 nan 8.230 nan 0.000 0.506 386 Y N 4.559 124.442 120.300 -0.695 0.000 2.341 386 Y HA 0.627 5.174 4.550 -0.005 0.000 0.340 386 Y C -0.942 174.402 175.900 -0.927 0.000 0.997 386 Y CA -0.292 57.351 58.100 -0.761 0.000 1.149 386 Y CB 0.338 38.425 38.460 -0.622 0.000 1.171 386 Y HN 0.648 nan 8.280 nan 0.000 0.494 387 F N 4.043 123.112 119.950 -1.468 0.000 2.492 387 F HA 0.416 4.940 4.527 -0.005 0.000 0.327 387 F C -0.285 174.728 175.800 -1.312 0.000 1.079 387 F CA -0.915 56.270 58.000 -1.358 0.000 0.967 387 F CB 1.561 39.418 39.000 -1.905 0.000 1.169 387 F HN 0.333 nan 8.300 nan 0.000 0.472 388 Q N 3.229 122.712 119.800 -0.527 0.000 2.278 388 Q HA 0.250 4.586 4.340 -0.007 0.000 0.257 388 Q C 1.064 177.050 176.000 -0.023 0.000 0.928 388 Q CA -0.453 55.182 55.803 -0.279 0.000 0.932 388 Q CB 2.007 30.673 28.738 -0.120 0.000 1.221 388 Q HN 0.644 nan 8.270 nan 0.000 0.434 389 I N 1.788 122.410 120.570 0.088 0.000 2.229 389 I HA -0.310 3.856 4.170 -0.007 0.000 0.250 389 I C 1.094 177.379 176.117 0.279 0.000 1.096 389 I CA 1.701 63.186 61.300 0.308 0.000 1.358 389 I CB -0.398 37.760 38.000 0.264 0.000 1.047 389 I HN 0.575 nan 8.210 nan 0.000 0.422 390 D N 0.244 120.728 120.400 0.141 0.000 2.305 390 D HA -0.005 4.631 4.640 -0.007 0.000 0.206 390 D C 1.035 177.363 176.300 0.046 0.000 0.974 390 D CA 0.454 54.499 54.000 0.076 0.000 0.871 390 D CB 0.283 41.111 40.800 0.046 0.000 0.947 390 D HN 0.502 nan 8.370 nan 0.000 0.516 391 K N -0.577 119.870 120.400 0.077 0.000 2.295 391 K HA 0.423 4.739 4.320 -0.007 0.000 0.239 391 K C 0.709 177.370 176.600 0.101 0.000 0.991 391 K CA -0.816 55.497 56.287 0.045 0.000 0.845 391 K CB 2.480 34.985 32.500 0.008 0.000 1.197 391 K HN -0.407 nan 8.250 nan 0.000 0.441 392 K N 0.666 121.091 120.400 0.042 0.000 2.021 392 K HA 0.024 4.340 4.320 -0.007 0.000 0.205 392 K C -0.316 176.339 176.600 0.091 0.000 1.047 392 K CA 1.357 57.685 56.287 0.069 0.000 0.943 392 K CB -0.066 32.442 32.500 0.014 0.000 0.725 392 K HN 0.732 nan 8.250 nan 0.000 0.439 393 D N 0.240 120.633 120.400 -0.012 0.000 2.341 393 D HA 0.092 4.728 4.640 -0.007 0.000 0.245 393 D C -0.118 176.018 176.300 -0.274 0.000 1.106 393 D CA -0.109 53.825 54.000 -0.108 0.000 0.905 393 D CB 1.060 41.801 40.800 -0.098 0.000 1.202 393 D HN 0.414 nan 8.370 nan 0.000 0.426 394 c N -0.503 117.789 118.600 -0.515 0.000 2.595 394 c HA 0.859 5.425 4.570 -0.007 0.000 0.338 394 c C 0.237 173.947 174.090 -0.634 0.000 1.219 394 c CA -0.858 54.962 56.329 -0.849 0.000 1.811 394 c CB 1.094 42.483 42.510 -1.868 0.000 2.313 394 c HN 0.643 nan 8.230 nan 0.000 0.499 395 T N -0.588 113.636 114.554 -0.550 0.000 2.771 395 T HA 0.614 4.960 4.350 -0.007 0.000 0.281 395 T C -0.791 173.617 174.700 -0.486 0.000 0.982 395 T CA -0.213 61.650 62.100 -0.395 0.000 0.978 395 T CB 0.389 69.117 68.868 -0.234 0.000 0.930 395 T HN 0.517 nan 8.240 nan 0.000 0.447 396 F N 3.127 122.895 119.950 -0.303 0.000 2.484 396 F HA 0.335 4.858 4.527 -0.007 0.000 0.360 396 F C 1.561 177.102 175.800 -0.431 0.000 1.101 396 F CA -1.044 56.775 58.000 -0.300 0.000 1.251 396 F CB 0.714 39.569 39.000 -0.242 0.000 1.132 396 F HN 0.675 nan 8.300 nan 0.000 0.570 397 I N -1.098 119.336 120.570 -0.227 0.000 4.082 397 I HA 0.260 4.426 4.170 -0.007 0.000 0.337 397 I C 0.155 176.196 176.117 -0.127 0.000 1.352 397 I CA -0.037 60.969 61.300 -0.490 0.000 1.097 397 I CB 0.077 37.773 38.000 -0.508 0.000 1.048 397 I HN 0.474 nan 8.210 nan 0.000 0.393 398 T N 0.046 114.539 114.554 -0.102 0.000 2.906 398 T HA 0.722 5.068 4.350 -0.007 0.000 0.295 398 T C -0.662 173.679 174.700 -0.597 0.000 1.061 398 T CA -0.652 61.351 62.100 -0.161 0.000 1.000 398 T CB 2.739 71.571 68.868 -0.060 0.000 1.103 398 T HN 0.466 nan 8.240 nan 0.000 0.486 399 K N -0.119 119.747 120.400 -0.890 0.000 2.578 399 K HA 0.797 5.113 4.320 -0.007 0.000 0.287 399 K C -0.440 175.455 176.600 -1.174 0.000 1.010 399 K CA -0.904 54.585 56.287 -1.330 0.000 0.889 399 K CB 1.414 33.529 32.500 -0.641 0.000 1.514 399 K HN 1.627 nan 8.250 nan 0.000 0.424 400 G N -0.030 108.169 108.800 -1.002 0.000 2.357 400 G HA2 0.029 3.985 3.960 -0.007 0.000 0.643 400 G HA3 0.029 3.985 3.960 -0.007 0.000 0.643 400 G C -0.573 173.744 174.900 -0.971 0.000 1.358 400 G CA -0.398 44.247 45.100 -0.758 0.000 0.986 400 G HN 1.032 nan 8.290 nan 0.000 0.620 401 T N -0.270 113.846 114.554 -0.730 0.000 4.313 401 T HA 0.537 4.884 4.350 -0.007 0.000 0.272 401 T C 0.278 174.744 174.700 -0.390 0.000 1.298 401 T CA 0.735 62.215 62.100 -1.034 0.000 1.124 401 T CB -0.999 67.554 68.868 -0.526 0.000 1.352 401 T HN 1.656 nan 8.240 nan 0.000 1.013 402 W N -0.365 120.741 121.300 -0.324 0.000 2.926 402 W HA 0.581 5.236 4.660 -0.009 0.000 0.361 402 W C -1.592 174.921 176.519 -0.010 0.000 1.195 402 W CA -0.933 56.390 57.345 -0.037 0.000 1.177 402 W CB 0.611 30.049 29.460 -0.037 0.000 1.453 402 W HN 0.185 nan 8.180 nan 0.000 0.571 403 E N 0.957 121.361 120.200 0.339 0.000 2.288 403 E HA 0.433 4.779 4.350 -0.007 0.000 0.268 403 E C -1.030 175.725 176.600 0.257 0.000 0.885 403 E CA -1.200 55.215 56.400 0.026 0.000 0.767 403 E CB 3.449 33.191 29.700 0.070 0.000 1.220 403 E HN 0.172 nan 8.360 nan 0.000 0.427 404 V N 4.210 124.154 119.914 0.050 0.000 2.470 404 V HA -0.025 4.091 4.120 -0.007 0.000 0.276 404 V C 1.297 177.505 176.094 0.190 0.000 1.040 404 V CA 0.133 62.563 62.300 0.216 0.000 1.008 404 V CB 0.379 32.238 31.823 0.059 0.000 0.990 404 V HN 0.686 nan 8.190 nan 0.000 0.477 405 I N 3.491 124.199 120.570 0.229 0.000 2.339 405 I HA 0.225 4.391 4.170 -0.007 0.000 0.245 405 I C 1.133 177.373 176.117 0.206 0.000 1.096 405 I CA 1.241 62.658 61.300 0.194 0.000 1.408 405 I CB -0.812 37.239 38.000 0.084 0.000 1.092 405 I HN 0.732 nan 8.210 nan 0.000 0.423 406 G N 0.727 109.653 108.800 0.210 0.000 2.702 406 G HA2 0.538 4.494 3.960 -0.007 0.000 0.296 406 G HA3 0.538 4.494 3.960 -0.007 0.000 0.296 406 G C -1.194 173.818 174.900 0.186 0.000 1.463 406 G CA -0.551 44.668 45.100 0.198 0.000 0.890 406 G HN -0.022 nan 8.290 nan 0.000 0.534 407 I N 1.882 122.503 120.570 0.086 0.000 2.396 407 I HA 0.202 4.368 4.170 -0.007 0.000 0.289 407 I C 0.872 176.959 176.117 -0.050 0.000 1.056 407 I CA -0.403 60.854 61.300 -0.071 0.000 1.365 407 I CB 1.503 39.221 38.000 -0.469 0.000 1.407 407 I HN 0.499 nan 8.210 nan 0.000 0.509 408 E N 5.051 125.284 120.200 0.056 0.000 2.201 408 E HA 0.302 4.648 4.350 -0.007 0.000 0.193 408 E C 0.212 176.819 176.600 0.011 0.000 0.957 408 E CA 0.270 56.747 56.400 0.128 0.000 0.858 408 E CB 0.681 30.530 29.700 0.249 0.000 0.816 408 E HN 0.680 nan 8.360 nan 0.000 0.475 409 A N 0.711 123.452 122.820 -0.130 0.000 2.589 409 A HA 0.604 4.920 4.320 -0.007 0.000 0.296 409 A C -1.657 175.888 177.584 -0.064 0.000 1.062 409 A CA -0.580 51.310 52.037 -0.244 0.000 0.686 409 A CB 1.388 19.795 19.000 -0.988 0.000 1.282 409 A HN 0.087 nan 8.150 nan 0.000 0.404 410 L N 2.966 124.183 121.223 -0.009 0.000 2.404 410 L HA 0.633 4.969 4.340 -0.007 0.000 0.272 410 L C 0.350 177.257 176.870 0.061 0.000 0.980 410 L CA -0.112 54.742 54.840 0.024 0.000 0.836 410 L CB 1.838 43.949 42.059 0.086 0.000 1.238 410 L HN 1.155 nan 8.230 nan 0.000 0.408 411 T N -0.448 114.147 114.554 0.067 0.000 2.855 411 T HA 0.282 4.628 4.350 -0.007 0.000 0.275 411 T C 1.222 175.958 174.700 0.061 0.000 1.022 411 T CA 0.191 62.340 62.100 0.082 0.000 0.977 411 T CB 1.219 70.165 68.868 0.129 0.000 1.559 411 T HN 0.562 nan 8.240 nan 0.000 0.600 412 S N -0.596 115.133 115.700 0.049 0.000 2.470 412 S HA 0.049 4.515 4.470 -0.007 0.000 0.225 412 S C 0.784 175.351 174.600 -0.054 0.000 1.006 412 S CA 0.458 58.672 58.200 0.024 0.000 0.934 412 S CB -0.345 62.874 63.200 0.031 0.000 0.778 412 S HN 0.687 nan 8.310 nan 0.000 0.517 413 D N -0.615 119.718 120.400 -0.111 0.000 2.454 413 D HA 0.285 4.921 4.640 -0.007 0.000 0.219 413 D C -0.654 175.225 176.300 -0.701 0.000 1.081 413 D CA 0.424 54.196 54.000 -0.379 0.000 0.867 413 D CB 0.379 40.946 40.800 -0.389 0.000 1.054 413 D HN 0.436 nan 8.370 nan 0.000 0.500 414 Y N 0.096 120.318 120.300 -0.129 0.000 2.534 414 Y HA 0.395 4.940 4.550 -0.008 0.000 0.345 414 Y C -0.901 174.774 175.900 -0.375 0.000 1.031 414 Y CA -1.392 56.525 58.100 -0.305 0.000 1.022 414 Y CB 2.286 40.452 38.460 -0.490 0.000 1.292 414 Y HN -0.275 nan 8.280 nan 0.000 0.459 415 L N 3.514 124.578 121.223 -0.265 0.000 2.325 415 L HA 0.574 4.910 4.340 -0.007 0.000 0.281 415 L C -1.982 174.721 176.870 -0.279 0.000 1.004 415 L CA -1.466 53.208 54.840 -0.276 0.000 0.823 415 L CB 0.079 41.913 42.059 -0.376 0.000 1.236 415 L HN 0.513 nan 8.230 nan 0.000 0.415 416 Y N 6.018 126.266 120.300 -0.087 0.000 2.341 416 Y HA 0.613 5.159 4.550 -0.005 0.000 0.337 416 Y C -0.338 175.592 175.900 0.050 0.000 1.014 416 Y CA -0.252 57.805 58.100 -0.072 0.000 1.111 416 Y CB 1.353 39.675 38.460 -0.229 0.000 1.194 416 Y HN 0.654 nan 8.280 nan 0.000 0.462 417 Y N 0.122 120.495 120.300 0.122 0.000 2.615 417 Y HA 0.833 5.379 4.550 -0.008 0.000 0.341 417 Y C -1.765 174.227 175.900 0.154 0.000 1.089 417 Y CA -1.962 56.202 58.100 0.107 0.000 1.049 417 Y CB 1.261 39.768 38.460 0.080 0.000 1.296 417 Y HN 0.431 nan 8.280 nan 0.000 0.470 418 I N 2.965 123.674 120.570 0.232 0.000 2.404 418 I HA 0.613 4.779 4.170 -0.007 0.000 0.293 418 I C -0.389 175.889 176.117 0.269 0.000 0.992 418 I CA -0.373 61.007 61.300 0.134 0.000 1.149 418 I CB 1.975 40.019 38.000 0.073 0.000 1.315 418 I HN 0.899 nan 8.210 nan 0.000 0.446 419 S N 3.214 119.049 115.700 0.225 0.000 2.720 419 S HA 0.452 4.918 4.470 -0.007 0.000 0.287 419 S C -0.442 174.212 174.600 0.091 0.000 1.168 419 S CA -0.813 57.523 58.200 0.227 0.000 0.832 419 S CB 1.650 65.044 63.200 0.324 0.000 1.166 419 S HN 0.630 nan 8.310 nan 0.000 0.493 420 N N -0.639 118.113 118.700 0.087 0.000 2.328 420 N HA 0.151 4.887 4.740 -0.007 0.000 0.247 420 N C 0.537 176.024 175.510 -0.039 0.000 1.165 420 N CA -0.253 52.805 53.050 0.013 0.000 0.873 420 N CB 0.220 38.706 38.487 -0.002 0.000 1.125 420 N HN 0.810 nan 8.380 nan 0.000 0.513 421 E N 0.092 120.121 120.200 -0.285 0.000 2.072 421 E HA -0.183 4.163 4.350 -0.007 0.000 0.191 421 E C -0.364 176.066 176.600 -0.284 0.000 0.985 421 E CA 0.223 56.190 56.400 -0.721 0.000 0.801 421 E CB -0.087 28.551 29.700 -1.770 0.000 0.750 421 E HN 0.522 nan 8.360 nan 0.000 0.452 422 Y N 2.552 122.741 120.300 -0.184 0.000 2.805 422 Y HA -0.170 4.375 4.550 -0.008 0.000 0.331 422 Y C 0.375 176.234 175.900 -0.069 0.000 1.241 422 Y CA 0.890 58.943 58.100 -0.079 0.000 1.546 422 Y CB 0.211 38.657 38.460 -0.022 0.000 1.248 422 Y HN 0.118 nan 8.280 nan 0.000 0.559 423 K N 3.455 123.546 120.400 -0.515 0.000 3.010 423 K HA -0.287 4.029 4.320 -0.007 0.000 0.255 423 K C 0.576 177.092 176.600 -0.139 0.000 0.929 423 K CA 0.806 56.866 56.287 -0.378 0.000 0.687 423 K CB -2.626 29.564 32.500 -0.516 0.000 1.304 423 K HN 1.401 nan 8.250 nan 0.000 0.479 424 G N 0.228 108.972 108.800 -0.094 0.000 2.203 424 G HA2 -0.343 3.613 3.960 -0.007 0.000 0.263 424 G HA3 -0.343 3.613 3.960 -0.007 0.000 0.263 424 G C 0.065 174.944 174.900 -0.035 0.000 1.012 424 G CA 0.803 45.898 45.100 -0.010 0.000 0.749 424 G HN 0.516 nan 8.290 nan 0.000 0.512 425 M N 0.322 119.828 119.600 -0.156 0.000 2.094 425 M HA 0.269 4.745 4.480 -0.007 0.000 0.348 425 M C -1.292 174.773 176.300 -0.393 0.000 1.267 425 M CA -1.969 53.073 55.300 -0.430 0.000 1.125 425 M CB 1.584 33.992 32.600 -0.320 0.000 1.527 425 M HN -0.133 nan 8.290 nan 0.000 0.447 426 P HA -0.028 nan 4.420 nan 0.000 0.226 426 P C 1.139 178.302 177.300 -0.229 0.000 1.153 426 P CA 0.845 63.782 63.100 -0.270 0.000 0.777 426 P CB 0.204 31.760 31.700 -0.240 0.000 0.794 427 G N -0.955 107.645 108.800 -0.333 0.000 3.088 427 G HA2 0.258 4.214 3.960 -0.007 0.000 0.217 427 G HA3 0.258 4.214 3.960 -0.007 0.000 0.217 427 G C 0.695 175.598 174.900 0.004 0.000 1.159 427 G CA 0.067 45.097 45.100 -0.118 0.000 0.760 427 G HN 0.376 nan 8.290 nan 0.000 0.550 428 G N -0.203 108.541 108.800 -0.093 0.000 2.488 428 G HA2 0.619 4.575 3.960 -0.007 0.000 0.318 428 G HA3 0.619 4.575 3.960 -0.007 0.000 0.318 428 G C -0.763 174.006 174.900 -0.220 0.000 1.188 428 G CA -0.696 44.372 45.100 -0.053 0.000 0.944 428 G HN 0.078 nan 8.290 nan 0.000 0.495 429 R N 0.318 120.653 120.500 -0.275 0.000 2.533 429 R HA 0.352 4.688 4.340 -0.007 0.000 0.288 429 R C -1.231 175.016 176.300 -0.089 0.000 1.039 429 R CA -0.757 55.153 56.100 -0.316 0.000 0.909 429 R CB 1.752 31.617 30.300 -0.724 0.000 1.195 429 R HN 0.713 nan 8.270 nan 0.000 0.438 430 N N 0.508 119.164 118.700 -0.073 0.000 2.455 430 N HA 0.498 5.234 4.740 -0.007 0.000 0.278 430 N C -1.452 173.866 175.510 -0.320 0.000 1.291 430 N CA -0.825 52.086 53.050 -0.231 0.000 0.780 430 N CB 1.974 40.209 38.487 -0.420 0.000 1.520 430 N HN 0.233 nan 8.380 nan 0.000 0.486 431 L N 1.794 122.676 121.223 -0.568 0.000 2.289 431 L HA 0.530 4.866 4.340 -0.007 0.000 0.285 431 L C -1.648 174.778 176.870 -0.740 0.000 1.049 431 L CA -0.122 54.421 54.840 -0.495 0.000 0.804 431 L CB 0.037 41.822 42.059 -0.457 0.000 1.195 431 L HN 0.516 nan 8.230 nan 0.000 0.428 432 Y N 3.528 123.479 120.300 -0.582 0.000 2.562 432 Y HA 0.569 5.115 4.550 -0.008 0.000 0.343 432 Y C -0.307 175.318 175.900 -0.457 0.000 1.025 432 Y CA -0.801 56.926 58.100 -0.621 0.000 1.082 432 Y CB 1.780 39.658 38.460 -0.969 0.000 1.264 432 Y HN 0.441 nan 8.280 nan 0.000 0.478 433 K N 3.037 123.351 120.400 -0.143 0.000 2.545 433 K HA 0.508 4.824 4.320 -0.007 0.000 0.252 433 K C -1.789 174.786 176.600 -0.042 0.000 0.948 433 K CA -0.299 55.844 56.287 -0.240 0.000 0.827 433 K CB 0.853 33.136 32.500 -0.362 0.000 1.128 433 K HN 0.719 nan 8.250 nan 0.000 0.429 434 I N 3.618 124.203 120.570 0.026 0.000 2.342 434 I HA 0.116 4.282 4.170 -0.007 0.000 0.291 434 I C 0.427 176.626 176.117 0.136 0.000 1.010 434 I CA -0.585 60.786 61.300 0.119 0.000 1.308 434 I CB 1.579 39.649 38.000 0.117 0.000 1.400 434 I HN 0.547 nan 8.210 nan 0.000 0.488 435 Q N 5.114 124.999 119.800 0.142 0.000 2.307 435 Q HA 0.080 4.416 4.340 -0.007 0.000 0.261 435 Q C 0.483 176.420 176.000 -0.106 0.000 1.051 435 Q CA -0.552 55.242 55.803 -0.015 0.000 0.911 435 Q CB 0.893 29.656 28.738 0.040 0.000 1.227 435 Q HN 0.611 nan 8.270 nan 0.000 0.418 436 L N 3.219 124.304 121.223 -0.231 0.000 2.191 436 L HA -0.184 4.152 4.340 -0.007 0.000 0.212 436 L C 2.275 179.084 176.870 -0.102 0.000 1.103 436 L CA 1.896 56.651 54.840 -0.143 0.000 0.769 436 L CB -0.709 41.252 42.059 -0.163 0.000 0.908 436 L HN 0.760 nan 8.230 nan 0.000 0.438 437 S N -2.502 113.117 115.700 -0.135 0.000 2.489 437 S HA -0.021 4.445 4.470 -0.007 0.000 0.228 437 S C 0.660 175.215 174.600 -0.075 0.000 0.995 437 S CA 0.404 58.546 58.200 -0.096 0.000 0.934 437 S CB 0.017 63.154 63.200 -0.106 0.000 0.771 437 S HN 0.418 nan 8.310 nan 0.000 0.522 438 D N 0.313 120.670 120.400 -0.072 0.000 2.351 438 D HA 0.137 4.773 4.640 -0.007 0.000 0.235 438 D C 0.175 176.417 176.300 -0.096 0.000 1.331 438 D CA -0.704 53.227 54.000 -0.115 0.000 0.959 438 D CB 0.202 40.931 40.800 -0.118 0.000 1.432 438 D HN 0.244 nan 8.370 nan 0.000 0.544 439 Y N 1.328 121.598 120.300 -0.050 0.000 2.569 439 Y HA -0.074 4.475 4.550 -0.002 0.000 0.293 439 Y C 1.925 177.824 175.900 -0.002 0.000 1.144 439 Y CA 1.375 59.457 58.100 -0.030 0.000 1.321 439 Y CB -0.699 37.737 38.460 -0.039 0.000 0.982 439 Y HN 0.222 nan 8.280 nan 0.000 0.558 440 T N -2.947 111.436 114.554 -0.285 0.000 3.035 440 T HA 0.023 4.369 4.350 -0.007 0.000 0.268 440 T C 0.530 175.208 174.700 -0.036 0.000 1.109 440 T CA 0.187 62.195 62.100 -0.154 0.000 1.119 440 T CB -0.235 68.484 68.868 -0.250 0.000 0.900 440 T HN 0.011 nan 8.240 nan 0.000 0.503 441 K N 1.972 122.358 120.400 -0.024 0.000 2.250 441 K HA 0.548 4.864 4.320 -0.007 0.000 0.285 441 K C -1.258 175.384 176.600 0.071 0.000 1.097 441 K CA -0.286 56.013 56.287 0.020 0.000 0.913 441 K CB 1.018 33.525 32.500 0.011 0.000 1.179 441 K HN 0.153 nan 8.250 nan 0.000 0.462 442 V N 2.768 122.730 119.914 0.080 0.000 2.577 442 V HA 0.427 4.543 4.120 -0.007 0.000 0.303 442 V C -0.409 175.735 176.094 0.083 0.000 1.042 442 V CA -0.924 61.444 62.300 0.113 0.000 0.872 442 V CB 2.231 34.153 31.823 0.166 0.000 0.998 442 V HN 0.685 nan 8.190 nan 0.000 0.423 443 T N 2.522 117.100 114.554 0.041 0.000 2.823 443 T HA 0.288 4.634 4.350 -0.007 0.000 0.279 443 T C -0.322 174.321 174.700 -0.094 0.000 0.998 443 T CA -0.340 61.744 62.100 -0.027 0.000 0.994 443 T CB 1.461 70.281 68.868 -0.081 0.000 0.960 443 T HN 0.753 nan 8.240 nan 0.000 0.448 444 C N 4.916 124.100 119.300 -0.194 0.000 2.373 444 C HA 0.380 4.836 4.460 -0.007 0.000 0.354 444 C C 1.756 176.446 174.990 -0.500 0.000 1.249 444 C CA -0.616 58.049 59.018 -0.588 0.000 1.784 444 C CB -2.009 25.324 27.740 -0.678 0.000 2.408 444 C HN 0.978 nan 8.230 nan 0.000 0.542 445 L N 4.468 125.361 121.223 -0.550 0.000 2.341 445 L HA 0.039 4.375 4.340 -0.007 0.000 0.214 445 L C 2.154 178.718 176.870 -0.511 0.000 1.115 445 L CA 1.217 55.805 54.840 -0.419 0.000 0.820 445 L CB -0.265 41.575 42.059 -0.365 0.000 0.944 445 L HN 0.897 nan 8.230 nan 0.000 0.452 446 S N -3.552 111.721 115.700 -0.713 0.000 2.628 446 S HA -0.005 4.461 4.470 -0.007 0.000 0.246 446 S C 1.827 175.998 174.600 -0.714 0.000 1.062 446 S CA -0.161 57.500 58.200 -0.900 0.000 1.028 446 S CB -0.291 61.974 63.200 -1.559 0.000 0.985 446 S HN 0.269 nan 8.310 nan 0.000 0.551 447 C N 2.098 120.969 119.300 -0.714 0.000 2.385 447 C HA -0.026 4.430 4.460 -0.007 0.000 0.275 447 C C 2.458 177.148 174.990 -0.499 0.000 1.207 447 C CA 1.658 60.188 59.018 -0.813 0.000 1.760 447 C CB -1.029 26.035 27.740 -1.126 0.000 2.051 447 C HN 0.663 nan 8.230 nan 0.000 0.467 448 E N -0.315 119.683 120.200 -0.337 0.000 2.481 448 E HA 0.204 4.550 4.350 -0.007 0.000 0.198 448 E C 1.810 178.356 176.600 -0.091 0.000 1.027 448 E CA -0.114 56.191 56.400 -0.159 0.000 0.900 448 E CB -0.121 29.508 29.700 -0.120 0.000 0.993 448 E HN 0.536 nan 8.360 nan 0.000 0.482 449 L N 0.209 121.371 121.223 -0.102 0.000 1.989 449 L HA -0.080 4.256 4.340 -0.007 0.000 0.211 449 L C 1.014 177.895 176.870 0.018 0.000 1.071 449 L CA 0.961 55.783 54.840 -0.030 0.000 0.749 449 L CB -0.006 42.046 42.059 -0.011 0.000 0.890 449 L HN 0.125 nan 8.230 nan 0.000 0.431 450 N N -1.314 117.416 118.700 0.049 0.000 2.732 450 N HA 0.110 4.846 4.740 -0.007 0.000 0.235 450 N C -2.137 173.400 175.510 0.045 0.000 1.466 450 N CA -0.917 52.156 53.050 0.037 0.000 0.751 450 N CB 0.958 39.462 38.487 0.028 0.000 1.317 450 N HN -0.132 nan 8.380 nan 0.000 0.525 451 P HA -0.122 nan 4.420 nan 0.000 0.221 451 P C 0.922 178.268 177.300 0.076 0.000 1.145 451 P CA 1.077 64.227 63.100 0.083 0.000 0.795 451 P CB 0.760 32.524 31.700 0.107 0.000 0.775 452 E N 0.213 120.440 120.200 0.044 0.000 2.122 452 E HA -0.124 4.222 4.350 -0.007 0.000 0.190 452 E C 2.179 178.784 176.600 0.009 0.000 0.977 452 E CA 0.534 56.952 56.400 0.029 0.000 0.820 452 E CB 0.067 29.778 29.700 0.018 0.000 0.770 452 E HN 0.131 nan 8.360 nan 0.000 0.462 453 R N -1.311 119.183 120.500 -0.010 0.000 2.308 453 R HA 0.242 4.578 4.340 -0.007 0.000 0.202 453 R C -0.417 175.840 176.300 -0.073 0.000 0.898 453 R CA 0.154 56.226 56.100 -0.046 0.000 1.046 453 R CB 0.259 30.518 30.300 -0.067 0.000 1.026 453 R HN -0.041 nan 8.270 nan 0.000 0.512 454 c N 1.330 119.896 118.600 -0.058 0.000 2.407 454 c HA 0.425 4.991 4.570 -0.007 0.000 0.328 454 c C -0.175 173.876 174.090 -0.066 0.000 1.137 454 c CA -0.553 55.682 56.329 -0.156 0.000 1.390 454 c CB 1.306 43.696 42.510 -0.200 0.000 1.989 454 c HN 0.610 nan 8.230 nan 0.000 0.432 455 Q N 0.518 120.275 119.800 -0.072 0.000 2.113 455 Q HA 0.175 4.511 4.340 -0.007 0.000 0.225 455 Q C -0.862 175.181 176.000 0.071 0.000 0.786 455 Q CA 0.111 55.952 55.803 0.064 0.000 0.989 455 Q CB 1.419 30.221 28.738 0.106 0.000 1.174 455 Q HN 0.776 nan 8.270 nan 0.000 0.470 456 Y N 0.618 120.798 120.300 -0.201 0.000 2.526 456 Y HA 0.358 4.904 4.550 -0.006 0.000 0.328 456 Y C -1.432 174.322 175.900 -0.244 0.000 0.995 456 Y CA -0.955 57.060 58.100 -0.142 0.000 1.304 456 Y CB 0.589 38.982 38.460 -0.112 0.000 1.096 456 Y HN -0.066 nan 8.280 nan 0.000 0.499 457 Y N 2.158 122.383 120.300 -0.125 0.000 2.420 457 Y HA 0.604 5.150 4.550 -0.006 0.000 0.334 457 Y C 0.432 176.273 175.900 -0.098 0.000 1.094 457 Y CA -0.470 57.567 58.100 -0.104 0.000 1.126 457 Y CB 1.986 40.347 38.460 -0.164 0.000 1.217 457 Y HN 0.512 nan 8.280 nan 0.000 0.462 458 S N 0.928 116.705 115.700 0.130 0.000 2.709 458 S HA 0.876 5.342 4.470 -0.007 0.000 0.302 458 S C -1.465 173.185 174.600 0.083 0.000 1.127 458 S CA -0.812 57.447 58.200 0.098 0.000 0.905 458 S CB 1.915 65.187 63.200 0.120 0.000 1.151 458 S HN 0.589 nan 8.310 nan 0.000 0.510 459 V N 0.192 120.147 119.914 0.070 0.000 3.012 459 V HA 0.805 4.921 4.120 -0.007 0.000 0.307 459 V C -1.312 174.828 176.094 0.077 0.000 1.166 459 V CA -0.259 62.043 62.300 0.002 0.000 0.974 459 V CB 2.281 33.996 31.823 -0.180 0.000 1.040 459 V HN 1.138 nan 8.190 nan 0.000 0.428 460 S N 5.449 121.195 115.700 0.078 0.000 2.733 460 S HA 0.655 5.121 4.470 -0.007 0.000 0.307 460 S C -1.059 173.682 174.600 0.235 0.000 1.127 460 S CA -0.369 57.980 58.200 0.249 0.000 1.097 460 S CB 0.287 63.686 63.200 0.331 0.000 1.003 460 S HN 0.504 nan 8.310 nan 0.000 0.477 461 F N 3.229 123.244 119.950 0.109 0.000 2.389 461 F HA 0.383 4.906 4.527 -0.007 0.000 0.337 461 F C 1.461 176.871 175.800 -0.650 0.000 1.112 461 F CA -0.118 57.782 58.000 -0.167 0.000 1.192 461 F CB 1.247 40.128 39.000 -0.198 0.000 1.185 461 F HN 0.623 nan 8.300 nan 0.000 0.552 462 S N 1.880 116.995 115.700 -0.974 0.000 2.606 462 S HA 0.134 4.600 4.470 -0.007 0.000 0.257 462 S C 1.257 175.600 174.600 -0.428 0.000 1.327 462 S CA -0.675 56.707 58.200 -1.364 0.000 0.984 462 S CB 0.860 63.253 63.200 -1.345 0.000 0.941 462 S HN 0.710 nan 8.310 nan 0.000 0.576 463 K N 0.521 120.781 120.400 -0.232 0.000 2.059 463 K HA -0.164 4.152 4.320 -0.007 0.000 0.212 463 K C 1.629 178.196 176.600 -0.056 0.000 1.050 463 K CA 2.187 58.441 56.287 -0.056 0.000 0.927 463 K CB -0.218 32.284 32.500 0.004 0.000 0.714 463 K HN 0.762 nan 8.250 nan 0.000 0.447 464 E N -1.856 118.281 120.200 -0.104 0.000 2.499 464 E HA 0.326 4.672 4.350 -0.007 0.000 0.199 464 E C -0.629 175.917 176.600 -0.089 0.000 1.016 464 E CA 0.521 56.880 56.400 -0.069 0.000 0.933 464 E CB 0.721 30.386 29.700 -0.060 0.000 1.050 464 E HN 0.328 nan 8.360 nan 0.000 0.462 465 A N 0.614 123.364 122.820 -0.117 0.000 2.860 465 A HA -0.332 3.984 4.320 -0.007 0.000 0.267 465 A C 1.461 179.018 177.584 -0.046 0.000 1.421 465 A CA 1.434 53.429 52.037 -0.069 0.000 0.831 465 A CB -2.148 16.667 19.000 -0.308 0.000 1.041 465 A HN 0.331 nan 8.150 nan 0.000 0.623 466 K N -1.655 118.633 120.400 -0.187 0.000 2.155 466 K HA 0.084 4.400 4.320 -0.007 0.000 0.203 466 K C 0.244 176.500 176.600 -0.574 0.000 1.052 466 K CA 1.434 57.496 56.287 -0.375 0.000 0.948 466 K CB -0.008 32.197 32.500 -0.492 0.000 0.728 466 K HN 0.704 nan 8.250 nan 0.000 0.448 467 Y N -1.067 119.152 120.300 -0.134 0.000 2.605 467 Y HA 0.331 4.877 4.550 -0.006 0.000 0.343 467 Y C -1.024 174.788 175.900 -0.147 0.000 1.036 467 Y CA -1.416 56.599 58.100 -0.141 0.000 1.065 467 Y CB 1.819 40.219 38.460 -0.101 0.000 1.288 467 Y HN -0.038 nan 8.280 nan 0.000 0.481 468 Y N -1.011 119.288 120.300 -0.001 0.000 2.519 468 Y HA 0.452 4.998 4.550 -0.007 0.000 0.336 468 Y C -1.343 174.590 175.900 0.055 0.000 1.089 468 Y CA -1.414 56.547 58.100 -0.233 0.000 1.025 468 Y CB 1.351 39.169 38.460 -1.069 0.000 1.318 468 Y HN 0.590 nan 8.280 nan 0.000 0.452 469 Q N 3.888 123.836 119.800 0.246 0.000 2.256 469 Q HA 0.553 4.889 4.340 -0.007 0.000 0.254 469 Q C -1.694 174.412 176.000 0.176 0.000 0.916 469 Q CA -0.688 55.219 55.803 0.173 0.000 0.932 469 Q CB 1.169 29.964 28.738 0.095 0.000 1.207 469 Q HN 0.947 nan 8.270 nan 0.000 0.426 470 L N 4.264 125.613 121.223 0.210 0.000 2.295 470 L HA 0.524 4.861 4.340 -0.007 0.000 0.285 470 L C -0.013 176.911 176.870 0.091 0.000 1.035 470 L CA -0.497 54.442 54.840 0.165 0.000 0.806 470 L CB 1.455 43.615 42.059 0.168 0.000 1.214 470 L HN 0.559 nan 8.230 nan 0.000 0.426 471 R N 3.354 123.863 120.500 0.016 0.000 2.310 471 R HA 0.376 4.712 4.340 -0.007 0.000 0.324 471 R C -1.046 175.084 176.300 -0.283 0.000 0.955 471 R CA -0.487 55.438 56.100 -0.292 0.000 0.830 471 R CB 1.333 31.483 30.300 -0.250 0.000 1.154 471 R HN 0.750 nan 8.270 nan 0.000 0.458 472 c N 3.695 122.014 118.600 -0.468 0.000 2.285 472 c HA 0.436 5.002 4.570 -0.007 0.000 0.335 472 c C 0.748 174.615 174.090 -0.371 0.000 1.267 472 c CA -0.358 55.617 56.329 -0.591 0.000 1.762 472 c CB 0.857 42.947 42.510 -0.700 0.000 2.365 472 c HN 0.952 nan 8.230 nan 0.000 0.527 473 S N 3.274 118.845 115.700 -0.216 0.000 2.540 473 S HA 0.549 5.015 4.470 -0.007 0.000 0.218 473 S C 0.603 175.165 174.600 -0.064 0.000 0.977 473 S CA 0.452 58.589 58.200 -0.105 0.000 0.918 473 S CB 0.116 63.279 63.200 -0.062 0.000 0.806 473 S HN 1.475 nan 8.310 nan 0.000 0.496 474 G N 1.751 110.497 108.800 -0.090 0.000 2.356 474 G HA2 0.177 4.133 3.960 -0.007 0.000 0.300 474 G HA3 0.177 4.133 3.960 -0.007 0.000 0.300 474 G C -2.929 171.947 174.900 -0.040 0.000 1.331 474 G CA -0.633 44.450 45.100 -0.028 0.000 0.905 474 G HN -0.166 nan 8.290 nan 0.000 0.587 475 P HA 0.104 nan 4.420 nan 0.000 0.221 475 P C 1.397 178.723 177.300 0.043 0.000 1.150 475 P CA 1.638 64.763 63.100 0.043 0.000 0.800 475 P CB 0.159 31.882 31.700 0.039 0.000 0.787 476 G N 0.507 109.270 108.800 -0.062 0.000 2.508 476 G HA2 0.328 4.284 3.960 -0.007 0.000 0.278 476 G HA3 0.328 4.284 3.960 -0.007 0.000 0.278 476 G C -0.477 174.195 174.900 -0.379 0.000 1.389 476 G CA -0.461 44.528 45.100 -0.183 0.000 1.050 476 G HN -0.015 nan 8.290 nan 0.000 0.522 477 L N 1.259 122.177 121.223 -0.508 0.000 2.485 477 L HA 0.212 4.548 4.340 -0.007 0.000 0.275 477 L C -1.664 175.046 176.870 -0.266 0.000 1.207 477 L CA -1.284 53.230 54.840 -0.543 0.000 0.855 477 L CB 0.236 42.059 42.059 -0.392 0.000 1.114 477 L HN 0.213 nan 8.230 nan 0.000 0.485 478 P HA 0.072 nan 4.420 nan 0.000 0.264 478 P C -0.971 176.283 177.300 -0.077 0.000 1.183 478 P CA -0.026 63.014 63.100 -0.100 0.000 0.763 478 P CB 0.486 32.227 31.700 0.068 0.000 0.807 479 L N 5.387 126.484 121.223 -0.210 0.000 2.404 479 L HA 0.429 4.765 4.340 -0.007 0.000 0.272 479 L C -1.602 175.128 176.870 -0.235 0.000 0.980 479 L CA -0.614 54.152 54.840 -0.124 0.000 0.836 479 L CB 0.760 42.753 42.059 -0.111 0.000 1.238 479 L HN 0.255 nan 8.230 nan 0.000 0.408 480 Y N 3.072 123.332 120.300 -0.066 0.000 2.331 480 Y HA 0.660 5.206 4.550 -0.006 0.000 0.338 480 Y C 0.572 176.374 175.900 -0.163 0.000 0.976 480 Y CA -0.522 57.524 58.100 -0.089 0.000 1.137 480 Y CB 1.784 40.178 38.460 -0.111 0.000 1.172 480 Y HN 0.637 nan 8.280 nan 0.000 0.478 481 T N 1.851 116.407 114.554 0.005 0.000 2.907 481 T HA 0.592 4.938 4.350 -0.007 0.000 0.292 481 T C -1.345 173.250 174.700 -0.175 0.000 1.043 481 T CA -0.945 61.087 62.100 -0.115 0.000 1.003 481 T CB 1.916 70.760 68.868 -0.040 0.000 1.084 481 T HN 0.433 nan 8.240 nan 0.000 0.483 482 L N 2.403 123.382 121.223 -0.407 0.000 2.329 482 L HA 0.573 4.909 4.340 -0.007 0.000 0.279 482 L C -0.720 175.769 176.870 -0.635 0.000 1.014 482 L CA -0.477 54.158 54.840 -0.341 0.000 0.814 482 L CB 1.293 43.205 42.059 -0.245 0.000 1.257 482 L HN 0.896 nan 8.230 nan 0.000 0.424 483 H N 1.579 120.446 119.070 -0.339 0.000 2.928 483 H HA 0.364 4.916 4.556 -0.006 0.000 0.371 483 H C -0.603 174.532 175.328 -0.320 0.000 1.186 483 H CA -0.737 55.022 56.048 -0.482 0.000 1.134 483 H CB 2.319 31.477 29.762 -1.005 0.000 1.824 483 H HN 0.532 nan 8.280 nan 0.000 0.554 484 S N 0.018 115.691 115.700 -0.046 0.000 2.451 484 S HA 0.143 4.609 4.470 -0.007 0.000 0.301 484 S C 1.018 175.593 174.600 -0.042 0.000 1.116 484 S CA -0.391 57.831 58.200 0.036 0.000 1.093 484 S CB 1.589 64.856 63.200 0.111 0.000 1.017 484 S HN 0.700 nan 8.310 nan 0.000 0.482 485 S N 2.389 118.077 115.700 -0.020 0.000 2.562 485 S HA -0.043 4.423 4.470 -0.007 0.000 0.221 485 S C 1.480 176.114 174.600 0.056 0.000 0.975 485 S CA 0.452 58.746 58.200 0.157 0.000 0.918 485 S CB -0.321 63.031 63.200 0.253 0.000 0.772 485 S HN 0.727 nan 8.310 nan 0.000 0.531 486 V N 3.183 123.083 119.914 -0.024 0.000 2.490 486 V HA -0.101 4.015 4.120 -0.007 0.000 0.250 486 V C 1.419 177.521 176.094 0.013 0.000 1.061 486 V CA 2.116 64.412 62.300 -0.006 0.000 1.064 486 V CB -0.545 31.257 31.823 -0.036 0.000 0.670 486 V HN 0.912 nan 8.190 nan 0.000 0.461 487 N N -2.785 115.921 118.700 0.011 0.000 2.081 487 N HA 0.056 4.793 4.740 -0.007 0.000 0.230 487 N C -0.054 175.464 175.510 0.014 0.000 1.351 487 N CA 0.500 53.557 53.050 0.011 0.000 0.840 487 N CB 0.025 38.520 38.487 0.013 0.000 1.189 487 N HN 0.369 nan 8.380 nan 0.000 0.503 488 D N 0.429 120.851 120.400 0.037 0.000 2.772 488 D HA -0.189 4.447 4.640 -0.007 0.000 0.233 488 D C -0.448 175.878 176.300 0.044 0.000 1.143 488 D CA 0.876 54.915 54.000 0.064 0.000 0.700 488 D CB -0.796 40.038 40.800 0.057 0.000 1.076 488 D HN 0.545 nan 8.370 nan 0.000 0.430 489 K N 0.595 121.011 120.400 0.027 0.000 2.205 489 K HA 0.388 4.704 4.320 -0.007 0.000 0.279 489 K C 0.695 177.298 176.600 0.005 0.000 1.027 489 K CA -0.146 56.151 56.287 0.017 0.000 0.932 489 K CB 0.900 33.403 32.500 0.005 0.000 1.032 489 K HN 0.097 nan 8.250 nan 0.000 0.466 490 G N 4.938 113.734 108.800 -0.008 0.000 2.439 490 G HA2 0.125 4.081 3.960 -0.007 0.000 0.298 490 G HA3 0.125 4.081 3.960 -0.007 0.000 0.298 490 G C 0.961 175.729 174.900 -0.220 0.000 1.044 490 G CA -0.323 44.672 45.100 -0.175 0.000 1.168 490 G HN 0.684 nan 8.290 nan 0.000 0.433 491 L N 1.720 122.780 121.223 -0.273 0.000 1.976 491 L HA 0.113 4.449 4.340 -0.007 0.000 0.209 491 L C 1.823 178.586 176.870 -0.178 0.000 1.071 491 L CA 1.315 56.051 54.840 -0.174 0.000 0.746 491 L CB -0.279 41.695 42.059 -0.141 0.000 0.890 491 L HN 0.725 nan 8.230 nan 0.000 0.432 492 R N -1.894 118.456 120.500 -0.250 0.000 2.728 492 R HA 0.477 4.814 4.340 -0.007 0.000 0.274 492 R C -1.710 174.441 176.300 -0.248 0.000 1.030 492 R CA -0.882 55.094 56.100 -0.206 0.000 0.876 492 R CB 1.590 31.794 30.300 -0.160 0.000 1.259 492 R HN -0.260 nan 8.270 nan 0.000 0.468 493 V N 3.109 122.905 119.914 -0.196 0.000 2.364 493 V HA 0.216 4.332 4.120 -0.007 0.000 0.272 493 V C 1.148 177.087 176.094 -0.259 0.000 1.036 493 V CA -0.470 61.716 62.300 -0.190 0.000 0.880 493 V CB 1.115 32.867 31.823 -0.119 0.000 0.991 493 V HN 0.663 nan 8.190 nan 0.000 0.460 494 L N 2.615 123.613 121.223 -0.375 0.000 2.145 494 L HA 0.294 4.630 4.340 -0.007 0.000 0.201 494 L C 0.760 177.350 176.870 -0.466 0.000 1.075 494 L CA 0.779 55.193 54.840 -0.711 0.000 0.773 494 L CB 0.203 41.468 42.059 -1.323 0.000 0.936 494 L HN 0.618 nan 8.230 nan 0.000 0.451 495 E N -0.090 119.991 120.200 -0.198 0.000 2.287 495 E HA 0.104 4.450 4.350 -0.007 0.000 0.274 495 E C -1.060 175.585 176.600 0.075 0.000 0.896 495 E CA -0.343 56.047 56.400 -0.017 0.000 0.788 495 E CB 1.207 30.909 29.700 0.003 0.000 1.244 495 E HN 0.173 nan 8.360 nan 0.000 0.408 496 D N 3.249 123.669 120.400 0.032 0.000 2.469 496 D HA 0.089 4.725 4.640 -0.007 0.000 0.213 496 D C -0.305 176.003 176.300 0.013 0.000 1.135 496 D CA -0.192 53.818 54.000 0.017 0.000 0.834 496 D CB -0.014 40.777 40.800 -0.015 0.000 1.009 496 D HN 0.470 nan 8.370 nan 0.000 0.507 497 N N 0.631 119.353 118.700 0.037 0.000 2.725 497 N HA -0.201 4.535 4.740 -0.007 0.000 0.249 497 N C 0.965 176.482 175.510 0.011 0.000 1.103 497 N CA 0.923 53.991 53.050 0.031 0.000 0.707 497 N CB -1.415 37.084 38.487 0.019 0.000 1.043 497 N HN 0.468 nan 8.380 nan 0.000 0.553 498 S N -1.080 114.627 115.700 0.011 0.000 2.399 498 S HA -0.034 4.432 4.470 -0.007 0.000 0.231 498 S C 2.125 176.740 174.600 0.025 0.000 1.022 498 S CA 0.949 59.154 58.200 0.008 0.000 0.983 498 S CB -0.133 63.071 63.200 0.006 0.000 0.803 498 S HN 0.518 nan 8.310 nan 0.000 0.480 499 A N 2.115 124.958 122.820 0.038 0.000 1.883 499 A HA 0.001 4.317 4.320 -0.007 0.000 0.217 499 A C 2.228 179.857 177.584 0.075 0.000 1.186 499 A CA 1.705 53.774 52.037 0.053 0.000 0.624 499 A CB -0.934 18.099 19.000 0.056 0.000 0.822 499 A HN 0.510 nan 8.150 nan 0.000 0.444 500 L N 0.183 121.454 121.223 0.080 0.000 2.093 500 L HA -0.145 4.191 4.340 -0.007 0.000 0.208 500 L C 1.980 178.898 176.870 0.080 0.000 1.085 500 L CA 2.486 57.394 54.840 0.114 0.000 0.755 500 L CB -0.577 41.548 42.059 0.109 0.000 0.904 500 L HN 0.523 nan 8.230 nan 0.000 0.435 501 D N -0.720 119.697 120.400 0.028 0.000 2.144 501 D HA -0.198 4.438 4.640 -0.007 0.000 0.199 501 D C 1.788 178.105 176.300 0.028 0.000 0.984 501 D CA 0.886 54.887 54.000 0.002 0.000 0.834 501 D CB 0.302 41.088 40.800 -0.023 0.000 0.955 501 D HN 0.314 nan 8.370 nan 0.000 0.465 502 K N 0.318 120.745 120.400 0.045 0.000 2.026 502 K HA -0.118 4.198 4.320 -0.007 0.000 0.208 502 K C 2.333 178.982 176.600 0.082 0.000 1.048 502 K CA 0.726 57.046 56.287 0.054 0.000 0.929 502 K CB -0.493 32.039 32.500 0.054 0.000 0.713 502 K HN 0.341 nan 8.250 nan 0.000 0.439 503 M N 0.218 119.894 119.600 0.126 0.000 2.117 503 M HA -0.145 4.331 4.480 -0.007 0.000 0.262 503 M C 1.846 178.244 176.300 0.163 0.000 1.065 503 M CA 1.136 56.563 55.300 0.212 0.000 1.114 503 M CB -0.222 32.592 32.600 0.357 0.000 1.361 503 M HN -0.032 nan 8.290 nan 0.000 0.408 504 L N 0.129 121.393 121.223 0.069 0.000 2.465 504 L HA -0.101 4.235 4.340 -0.007 0.000 0.224 504 L C 2.242 179.104 176.870 -0.012 0.000 1.145 504 L CA 1.523 56.342 54.840 -0.035 0.000 0.834 504 L CB -0.799 41.235 42.059 -0.042 0.000 0.944 504 L HN 0.340 nan 8.230 nan 0.000 0.451 505 Q N -1.097 118.715 119.800 0.020 0.000 2.230 505 Q HA -0.154 4.182 4.340 -0.007 0.000 0.202 505 Q C 1.864 177.885 176.000 0.036 0.000 0.963 505 Q CA 0.884 56.700 55.803 0.022 0.000 0.866 505 Q CB -0.143 28.610 28.738 0.026 0.000 0.931 505 Q HN 0.549 nan 8.270 nan 0.000 0.452 506 N N 0.702 119.435 118.700 0.056 0.000 2.270 506 N HA -0.083 4.653 4.740 -0.007 0.000 0.181 506 N C 0.241 175.792 175.510 0.068 0.000 1.016 506 N CA 0.372 53.465 53.050 0.072 0.000 0.870 506 N CB 0.409 38.959 38.487 0.106 0.000 0.979 506 N HN 0.043 nan 8.380 nan 0.000 0.431 507 V N 2.340 122.278 119.914 0.040 0.000 2.481 507 V HA 0.183 4.299 4.120 -0.007 0.000 0.286 507 V C -0.460 175.636 176.094 0.002 0.000 1.042 507 V CA -0.733 61.583 62.300 0.026 0.000 0.928 507 V CB 1.577 33.382 31.823 -0.030 0.000 0.986 507 V HN 0.249 nan 8.190 nan 0.000 0.462 508 Q N 6.935 126.743 119.800 0.014 0.000 2.369 508 Q HA 0.377 4.714 4.340 -0.007 0.000 0.247 508 Q C -0.647 175.316 176.000 -0.062 0.000 1.083 508 Q CA -0.388 55.391 55.803 -0.040 0.000 0.905 508 Q CB 0.904 29.608 28.738 -0.056 0.000 1.305 508 Q HN 0.600 nan 8.270 nan 0.000 0.465 509 M N 3.790 123.340 119.600 -0.084 0.000 2.342 509 M HA 0.443 4.919 4.480 -0.007 0.000 0.332 509 M C -2.125 174.101 176.300 -0.124 0.000 1.166 509 M CA -2.474 52.767 55.300 -0.098 0.000 1.086 509 M CB 0.559 33.109 32.600 -0.083 0.000 1.541 509 M HN 0.522 nan 8.290 nan 0.000 0.462 510 P HA 0.218 nan 4.420 nan 0.000 0.276 510 P C -0.779 176.433 177.300 -0.146 0.000 1.252 510 P CA -0.335 62.670 63.100 -0.158 0.000 0.802 510 P CB 0.514 32.106 31.700 -0.181 0.000 1.035 511 S N -0.261 115.340 115.700 -0.165 0.000 2.681 511 S HA 0.577 5.043 4.470 -0.007 0.000 0.299 511 S C -0.427 174.075 174.600 -0.164 0.000 1.113 511 S CA -0.794 57.321 58.200 -0.140 0.000 1.013 511 S CB 1.569 64.689 63.200 -0.132 0.000 1.076 511 S HN 0.491 nan 8.310 nan 0.000 0.534 512 K N 0.639 120.969 120.400 -0.117 0.000 2.323 512 K HA 0.383 4.699 4.320 -0.007 0.000 0.259 512 K C -1.164 175.380 176.600 -0.094 0.000 0.947 512 K CA -0.523 55.700 56.287 -0.106 0.000 0.819 512 K CB 1.167 33.628 32.500 -0.066 0.000 1.109 512 K HN 0.703 nan 8.250 nan 0.000 0.429 513 K N 6.055 126.387 120.400 -0.112 0.000 2.265 513 K HA 0.269 4.585 4.320 -0.007 0.000 0.267 513 K C -1.317 175.230 176.600 -0.089 0.000 0.994 513 K CA -0.708 55.522 56.287 -0.095 0.000 0.860 513 K CB 0.931 33.360 32.500 -0.119 0.000 1.099 513 K HN 0.542 nan 8.250 nan 0.000 0.448 514 L N 4.986 126.180 121.223 -0.049 0.000 2.298 514 L HA 0.452 4.788 4.340 -0.007 0.000 0.284 514 L C -1.146 175.735 176.870 0.018 0.000 1.013 514 L CA 0.090 54.933 54.840 0.006 0.000 0.824 514 L CB 1.089 43.215 42.059 0.111 0.000 1.221 514 L HN 0.888 nan 8.230 nan 0.000 0.418 515 D N 3.547 123.780 120.400 -0.280 0.000 2.825 515 D HA 0.498 5.134 4.640 -0.007 0.000 0.327 515 D C -1.469 174.462 176.300 -0.615 0.000 1.277 515 D CA 0.018 53.754 54.000 -0.440 0.000 0.950 515 D CB 2.324 42.835 40.800 -0.481 0.000 1.438 515 D HN 0.260 nan 8.370 nan 0.000 0.526 516 F N -0.097 119.513 119.950 -0.566 0.000 2.613 516 F HA 0.723 5.246 4.527 -0.007 0.000 0.314 516 F C -0.678 175.195 175.800 0.122 0.000 1.075 516 F CA -1.050 56.728 58.000 -0.370 0.000 0.945 516 F CB 0.816 39.127 39.000 -1.149 0.000 1.310 516 F HN 0.269 nan 8.300 nan 0.000 0.467 517 I N -0.206 120.647 120.570 0.471 0.000 2.957 517 I HA 0.709 4.875 4.170 -0.007 0.000 0.310 517 I C -1.337 175.027 176.117 0.412 0.000 1.063 517 I CA -1.293 60.217 61.300 0.349 0.000 1.033 517 I CB 2.479 40.642 38.000 0.272 0.000 1.230 517 I HN 0.646 nan 8.210 nan 0.000 0.447 518 I N 4.108 124.853 120.570 0.291 0.000 2.382 518 I HA 0.345 4.511 4.170 -0.007 0.000 0.285 518 I C -1.254 174.997 176.117 0.223 0.000 1.007 518 I CA -0.560 60.894 61.300 0.256 0.000 1.142 518 I CB 1.595 39.711 38.000 0.193 0.000 1.289 518 I HN 0.307 nan 8.210 nan 0.000 0.453 519 L N 6.769 128.184 121.223 0.320 0.000 2.325 519 L HA 0.448 4.785 4.340 -0.007 0.000 0.281 519 L C 0.181 177.194 176.870 0.239 0.000 1.004 519 L CA -0.543 54.454 54.840 0.261 0.000 0.823 519 L CB 0.772 43.003 42.059 0.286 0.000 1.236 519 L HN 0.478 nan 8.230 nan 0.000 0.415 520 N N 3.086 121.864 118.700 0.130 0.000 2.705 520 N HA -0.246 4.490 4.740 -0.007 0.000 0.255 520 N C 0.405 175.960 175.510 0.076 0.000 1.008 520 N CA 1.197 54.300 53.050 0.088 0.000 0.742 520 N CB -0.844 37.689 38.487 0.077 0.000 0.906 520 N HN 0.810 nan 8.380 nan 0.000 0.541 521 E N -3.281 116.960 120.200 0.068 0.000 3.065 521 E HA -0.258 4.088 4.350 -0.007 0.000 0.277 521 E C -0.688 175.915 176.600 0.005 0.000 1.008 521 E CA 1.512 57.934 56.400 0.037 0.000 0.864 521 E CB -1.087 28.625 29.700 0.019 0.000 1.439 521 E HN 0.505 nan 8.360 nan 0.000 0.445 522 T N 0.482 115.043 114.554 0.011 0.000 2.829 522 T HA 0.363 4.709 4.350 -0.007 0.000 0.280 522 T C -0.095 174.479 174.700 -0.209 0.000 0.999 522 T CA -0.783 61.227 62.100 -0.149 0.000 0.983 522 T CB 1.513 70.229 68.868 -0.253 0.000 0.968 522 T HN -0.006 nan 8.240 nan 0.000 0.446 523 K N 2.102 122.314 120.400 -0.313 0.000 2.322 523 K HA 0.425 4.741 4.320 -0.007 0.000 0.283 523 K C -1.049 175.292 176.600 -0.431 0.000 1.042 523 K CA -0.026 56.083 56.287 -0.297 0.000 0.958 523 K CB 0.428 32.607 32.500 -0.536 0.000 0.984 523 K HN 0.404 nan 8.250 nan 0.000 0.473 524 F N 1.980 121.992 119.950 0.103 0.000 2.539 524 F HA 0.293 4.817 4.527 -0.005 0.000 0.318 524 F C -0.671 175.240 175.800 0.184 0.000 1.135 524 F CA -0.755 57.321 58.000 0.128 0.000 0.915 524 F CB 0.974 40.072 39.000 0.163 0.000 1.176 524 F HN 0.431 nan 8.300 nan 0.000 0.440 525 W N 3.993 125.443 121.300 0.250 0.000 2.313 525 W HA 0.505 5.160 4.660 -0.008 0.000 0.328 525 W C -0.543 176.177 176.519 0.336 0.000 1.197 525 W CA -0.528 56.986 57.345 0.281 0.000 1.235 525 W CB 0.634 30.186 29.460 0.154 0.000 1.158 525 W HN 0.451 nan 8.180 nan 0.000 0.578 526 Y N -0.151 120.484 120.300 0.558 0.000 2.609 526 Y HA 0.670 5.217 4.550 -0.006 0.000 0.342 526 Y C -0.856 175.275 175.900 0.385 0.000 1.058 526 Y CA -1.839 56.585 58.100 0.540 0.000 1.055 526 Y CB 1.186 40.121 38.460 0.792 0.000 1.292 526 Y HN 0.558 nan 8.280 nan 0.000 0.476 527 Q N 2.289 122.309 119.800 0.367 0.000 2.423 527 Q HA 0.739 5.075 4.340 -0.007 0.000 0.278 527 Q C -1.794 174.321 176.000 0.193 0.000 1.097 527 Q CA -1.161 54.738 55.803 0.161 0.000 0.809 527 Q CB 3.224 32.033 28.738 0.119 0.000 1.391 527 Q HN 0.889 nan 8.270 nan 0.000 0.428 528 M N 2.599 122.233 119.600 0.058 0.000 2.263 528 M HA 0.416 4.892 4.480 -0.007 0.000 0.295 528 M C -1.258 174.969 176.300 -0.121 0.000 1.028 528 M CA -0.928 54.347 55.300 -0.042 0.000 0.921 528 M CB 2.101 34.637 32.600 -0.107 0.000 1.601 528 M HN 0.606 nan 8.290 nan 0.000 0.440 529 I N 5.313 125.809 120.570 -0.123 0.000 2.322 529 I HA 0.316 4.482 4.170 -0.007 0.000 0.292 529 I C -0.444 175.521 176.117 -0.254 0.000 1.060 529 I CA -0.194 61.004 61.300 -0.170 0.000 1.309 529 I CB -0.077 37.841 38.000 -0.137 0.000 1.415 529 I HN 0.635 nan 8.210 nan 0.000 0.492 530 L N 8.445 129.465 121.223 -0.338 0.000 2.295 530 L HA 0.456 4.792 4.340 -0.007 0.000 0.285 530 L C -2.204 174.459 176.870 -0.346 0.000 1.035 530 L CA -1.857 52.674 54.840 -0.515 0.000 0.806 530 L CB 1.363 42.924 42.059 -0.830 0.000 1.214 530 L HN 0.278 nan 8.230 nan 0.000 0.426 531 P HA 0.053 nan 4.420 nan 0.000 0.267 531 P C -2.467 174.787 177.300 -0.077 0.000 1.200 531 P CA -0.825 62.198 63.100 -0.128 0.000 0.772 531 P CB -0.208 31.475 31.700 -0.029 0.000 0.855 532 P HA -0.071 nan 4.420 nan 0.000 0.265 532 P C -0.198 177.014 177.300 -0.147 0.000 1.187 532 P CA 0.956 63.916 63.100 -0.234 0.000 0.766 532 P CB -0.198 31.310 31.700 -0.321 0.000 0.820 533 H N -0.836 118.275 119.070 0.069 0.000 2.862 533 H HA -0.201 4.351 4.556 -0.007 0.000 0.290 533 H C 0.100 175.493 175.328 0.109 0.000 1.211 533 H CA -0.058 56.034 56.048 0.073 0.000 1.140 533 H CB -2.367 27.430 29.762 0.058 0.000 1.341 533 H HN 0.401 nan 8.280 nan 0.000 0.392 534 F N 2.677 122.632 119.950 0.009 0.000 2.612 534 F HA 0.122 4.645 4.527 -0.007 0.000 0.389 534 F C 0.606 176.410 175.800 0.007 0.000 1.055 534 F CA 0.087 58.047 58.000 -0.067 0.000 1.232 534 F CB 0.458 39.305 39.000 -0.255 0.000 1.044 534 F HN 0.155 nan 8.300 nan 0.000 0.560 535 D N 6.045 126.118 120.400 -0.545 0.000 2.425 535 D HA 0.127 4.763 4.640 -0.007 0.000 0.240 535 D C 0.315 176.183 176.300 -0.720 0.000 1.080 535 D CA -0.622 53.104 54.000 -0.456 0.000 0.836 535 D CB 1.222 41.928 40.800 -0.157 0.000 1.125 535 D HN 0.701 nan 8.370 nan 0.000 0.525 536 K N 1.393 121.384 120.400 -0.682 0.000 2.551 536 K HA 0.002 4.318 4.320 -0.007 0.000 0.192 536 K C 0.638 177.194 176.600 -0.073 0.000 1.027 536 K CA 0.393 56.410 56.287 -0.450 0.000 1.059 536 K CB 0.016 32.362 32.500 -0.256 0.000 0.831 536 K HN 0.157 nan 8.250 nan 0.000 0.508 537 S N -0.305 115.335 115.700 -0.101 0.000 2.540 537 S HA 0.182 4.648 4.470 -0.007 0.000 0.218 537 S C -0.008 174.563 174.600 -0.048 0.000 0.977 537 S CA -0.689 57.488 58.200 -0.039 0.000 0.918 537 S CB 0.058 63.230 63.200 -0.047 0.000 0.806 537 S HN 0.201 nan 8.310 nan 0.000 0.496 538 K N 1.284 121.641 120.400 -0.072 0.000 2.166 538 K HA 0.459 4.775 4.320 -0.007 0.000 0.245 538 K C -0.706 175.860 176.600 -0.057 0.000 0.967 538 K CA -0.892 55.311 56.287 -0.139 0.000 0.863 538 K CB 0.794 33.105 32.500 -0.315 0.000 1.107 538 K HN -0.050 nan 8.250 nan 0.000 0.436 539 K N 2.552 122.874 120.400 -0.131 0.000 2.292 539 K HA 0.241 4.557 4.320 -0.007 0.000 0.270 539 K C -0.867 175.665 176.600 -0.113 0.000 1.062 539 K CA -0.297 55.967 56.287 -0.037 0.000 0.916 539 K CB 0.415 32.881 32.500 -0.056 0.000 1.166 539 K HN 0.471 nan 8.250 nan 0.000 0.458 540 Y N 3.316 123.644 120.300 0.048 0.000 2.320 540 Y HA 0.206 4.753 4.550 -0.006 0.000 0.324 540 Y C -1.634 174.207 175.900 -0.098 0.000 1.190 540 Y CA -2.053 56.055 58.100 0.014 0.000 1.215 540 Y CB 0.728 39.267 38.460 0.132 0.000 1.221 540 Y HN 0.438 nan 8.280 nan 0.000 0.486 541 P HA 0.123 nan 4.420 nan 0.000 0.271 541 P C -1.104 176.048 177.300 -0.247 0.000 1.218 541 P CA -0.129 62.695 63.100 -0.460 0.000 0.780 541 P CB 1.352 32.453 31.700 -0.999 0.000 0.901 542 L N 3.086 124.176 121.223 -0.223 0.000 2.365 542 L HA 0.586 4.922 4.340 -0.007 0.000 0.273 542 L C -1.250 175.783 176.870 0.271 0.000 1.000 542 L CA -1.108 53.763 54.840 0.051 0.000 0.819 542 L CB 1.824 43.930 42.059 0.079 0.000 1.284 542 L HN 0.164 nan 8.230 nan 0.000 0.418 543 L N 5.093 126.513 121.223 0.328 0.000 2.325 543 L HA 0.533 4.869 4.340 -0.007 0.000 0.281 543 L C -1.419 175.697 176.870 0.409 0.000 1.004 543 L CA -0.385 54.717 54.840 0.437 0.000 0.823 543 L CB 1.647 43.929 42.059 0.371 0.000 1.236 543 L HN 0.609 nan 8.230 nan 0.000 0.415 544 L N 4.970 126.484 121.223 0.484 0.000 2.260 544 L HA 0.415 4.751 4.340 -0.007 0.000 0.289 544 L C -0.550 176.564 176.870 0.406 0.000 1.057 544 L CA 0.183 55.291 54.840 0.448 0.000 0.811 544 L CB 0.623 42.977 42.059 0.492 0.000 1.184 544 L HN 0.620 nan 8.230 nan 0.000 0.429 545 D N 4.024 124.639 120.400 0.359 0.000 2.295 545 D HA 0.290 4.926 4.640 -0.007 0.000 0.248 545 D C -0.967 175.416 176.300 0.138 0.000 1.154 545 D CA 0.052 54.182 54.000 0.218 0.000 0.857 545 D CB 1.351 42.349 40.800 0.330 0.000 1.117 545 D HN 0.327 nan 8.370 nan 0.000 0.468 546 V N 5.688 125.599 119.914 -0.005 0.000 2.656 546 V HA 0.424 4.540 4.120 -0.007 0.000 0.307 546 V C -0.997 175.202 176.094 0.175 0.000 1.051 546 V CA -0.523 61.854 62.300 0.128 0.000 0.893 546 V CB 1.700 33.617 31.823 0.156 0.000 0.999 546 V HN 0.604 nan 8.190 nan 0.000 0.426 547 Y N 5.756 126.131 120.300 0.124 0.000 2.687 547 Y HA 0.554 5.101 4.550 -0.006 0.000 0.246 547 Y C 1.775 177.813 175.900 0.231 0.000 1.061 547 Y CA 1.499 59.698 58.100 0.164 0.000 1.400 547 Y CB -0.068 38.474 38.460 0.137 0.000 1.325 547 Y HN 1.554 nan 8.280 nan 0.000 0.498 548 A N 0.544 123.501 122.820 0.229 0.000 2.979 548 A HA -0.166 4.150 4.320 -0.007 0.000 0.260 548 A C 1.118 178.579 177.584 -0.206 0.000 1.282 548 A CA 1.088 53.174 52.037 0.081 0.000 0.971 548 A CB -2.497 16.664 19.000 0.269 0.000 1.124 548 A HN 0.951 nan 8.150 nan 0.000 0.826 549 G N -0.880 107.552 108.800 -0.613 0.000 2.634 549 G HA2 0.473 4.429 3.960 -0.007 0.000 0.255 549 G HA3 0.473 4.429 3.960 -0.007 0.000 0.255 549 G C -2.255 172.204 174.900 -0.736 0.000 1.205 549 G CA -0.747 43.633 45.100 -1.200 0.000 0.884 549 G HN 0.288 nan 8.290 nan 0.000 0.549 550 P HA 0.070 nan 4.420 nan 0.000 0.261 550 P C 0.631 177.692 177.300 -0.398 0.000 1.183 550 P CA 0.110 62.869 63.100 -0.568 0.000 0.761 550 P CB 0.664 31.657 31.700 -1.179 0.000 0.785 551 C N 2.510 121.638 119.300 -0.286 0.000 4.392 551 C HA -0.164 4.292 4.460 -0.007 0.000 0.280 551 C C 1.008 175.876 174.990 -0.203 0.000 1.381 551 C CA 1.170 59.997 59.018 -0.318 0.000 1.871 551 C CB -2.707 24.744 27.740 -0.482 0.000 1.323 551 C HN 0.799 nan 8.230 nan 0.000 0.772 552 S N 0.165 115.668 115.700 -0.328 0.000 2.593 552 S HA 0.486 4.952 4.470 -0.007 0.000 0.269 552 S C -0.577 173.978 174.600 -0.076 0.000 1.334 552 S CA 0.304 58.245 58.200 -0.433 0.000 1.015 552 S CB 1.525 64.005 63.200 -1.199 0.000 0.912 552 S HN 0.825 nan 8.310 nan 0.000 0.541 553 Q N 0.351 120.220 119.800 0.115 0.000 2.309 553 Q HA 0.348 4.684 4.340 -0.007 0.000 0.254 553 Q C -0.684 175.443 176.000 0.212 0.000 0.938 553 Q CA -0.603 55.327 55.803 0.212 0.000 0.789 553 Q CB 0.978 29.939 28.738 0.370 0.000 1.313 553 Q HN 0.720 nan 8.270 nan 0.000 0.438 554 K N 1.042 121.556 120.400 0.190 0.000 2.373 554 K HA 0.331 4.647 4.320 -0.007 0.000 0.200 554 K C -0.361 176.352 176.600 0.189 0.000 1.054 554 K CA 0.237 56.648 56.287 0.207 0.000 1.065 554 K CB 1.564 34.208 32.500 0.240 0.000 0.886 554 K HN 0.495 nan 8.250 nan 0.000 0.546 555 A N 2.942 125.876 122.820 0.189 0.000 2.273 555 A HA 0.425 4.741 4.320 -0.007 0.000 0.320 555 A C -0.717 176.938 177.584 0.119 0.000 1.358 555 A CA -0.439 51.710 52.037 0.188 0.000 0.910 555 A CB 0.119 19.288 19.000 0.281 0.000 1.159 555 A HN 0.248 nan 8.150 nan 0.000 0.526 556 D N 0.044 120.493 120.400 0.082 0.000 2.677 556 D HA 0.368 5.005 4.640 -0.007 0.000 0.298 556 D C 0.285 176.605 176.300 0.032 0.000 1.250 556 D CA 0.275 54.312 54.000 0.062 0.000 0.888 556 D CB 0.288 41.134 40.800 0.077 0.000 1.397 556 D HN 0.200 nan 8.370 nan 0.000 0.461 557 T N -2.242 112.354 114.554 0.070 0.000 3.186 557 T HA 0.338 4.684 4.350 -0.007 0.000 0.257 557 T C 0.410 175.088 174.700 -0.036 0.000 1.029 557 T CA -0.366 61.767 62.100 0.053 0.000 0.916 557 T CB -0.711 68.230 68.868 0.122 0.000 1.041 557 T HN 0.274 nan 8.240 nan 0.000 0.562 558 V N 2.500 122.287 119.914 -0.211 0.000 2.614 558 V HA 0.340 4.456 4.120 -0.007 0.000 0.291 558 V C 0.076 176.126 176.094 -0.074 0.000 1.049 558 V CA -0.991 61.151 62.300 -0.262 0.000 1.038 558 V CB 0.199 31.748 31.823 -0.457 0.000 0.980 558 V HN 0.578 nan 8.190 nan 0.000 0.481 559 F N 6.214 126.079 119.950 -0.142 0.000 2.420 559 F HA 0.572 5.095 4.527 -0.007 0.000 0.352 559 F C 0.469 176.220 175.800 -0.081 0.000 1.108 559 F CA -0.196 57.744 58.000 -0.100 0.000 1.162 559 F CB 0.319 39.268 39.000 -0.084 0.000 1.118 559 F HN 0.423 nan 8.300 nan 0.000 0.510 560 R N 6.416 126.429 120.500 -0.811 0.000 2.686 560 R HA 0.573 4.909 4.340 -0.007 0.000 0.283 560 R C -1.650 174.213 176.300 -0.729 0.000 0.978 560 R CA -1.082 54.683 56.100 -0.559 0.000 0.897 560 R CB 2.150 32.289 30.300 -0.268 0.000 1.192 560 R HN 0.666 nan 8.270 nan 0.000 0.457 561 L N 3.927 124.922 121.223 -0.379 0.000 2.295 561 L HA 0.443 4.779 4.340 -0.007 0.000 0.281 561 L C -0.486 176.353 176.870 -0.052 0.000 1.018 561 L CA -0.579 54.103 54.840 -0.263 0.000 0.841 561 L CB 0.657 42.720 42.059 0.006 0.000 1.218 561 L HN 0.775 nan 8.230 nan 0.000 0.424 562 N N 0.361 118.941 118.700 -0.199 0.000 3.522 562 N HA 0.153 4.890 4.740 -0.007 0.000 0.328 562 N C 0.064 175.214 175.510 -0.600 0.000 1.623 562 N CA -0.891 51.930 53.050 -0.383 0.000 0.812 562 N CB 0.117 38.514 38.487 -0.150 0.000 2.008 562 N HN 0.319 nan 8.380 nan 0.000 0.601 563 W N 0.553 121.314 121.300 -0.899 0.000 2.363 563 W HA 0.254 4.910 4.660 -0.007 0.000 0.296 563 W C 2.054 178.538 176.519 -0.057 0.000 1.212 563 W CA 2.749 59.807 57.345 -0.478 0.000 1.260 563 W CB -0.945 28.376 29.460 -0.232 0.000 1.131 563 W HN 0.706 nan 8.180 nan 0.000 0.530 564 A N -0.404 122.367 122.820 -0.082 0.000 1.933 564 A HA -0.205 4.112 4.320 -0.007 0.000 0.218 564 A C 1.942 179.402 177.584 -0.205 0.000 1.175 564 A CA 2.503 54.434 52.037 -0.177 0.000 0.628 564 A CB -1.298 17.685 19.000 -0.028 0.000 0.814 564 A HN 0.293 nan 8.150 nan 0.000 0.444 565 T N -1.194 113.244 114.554 -0.195 0.000 2.684 565 T HA -0.239 4.107 4.350 -0.007 0.000 0.267 565 T C 1.778 176.451 174.700 -0.045 0.000 1.036 565 T CA 1.744 63.691 62.100 -0.255 0.000 1.148 565 T CB -0.572 67.948 68.868 -0.579 0.000 0.863 565 T HN 0.696 nan 8.240 nan 0.000 0.436 566 Y N 1.912 122.254 120.300 0.071 0.000 2.145 566 Y HA -0.123 4.423 4.550 -0.007 0.000 0.286 566 Y C 2.031 177.917 175.900 -0.023 0.000 1.145 566 Y CA 1.140 59.346 58.100 0.176 0.000 1.148 566 Y CB -0.540 38.030 38.460 0.183 0.000 0.981 566 Y HN 0.096 nan 8.280 nan 0.000 0.507 567 L N 0.441 121.237 121.223 -0.712 0.000 2.046 567 L HA -0.217 4.119 4.340 -0.007 0.000 0.208 567 L C 2.894 179.521 176.870 -0.405 0.000 1.077 567 L CA 1.331 55.701 54.840 -0.783 0.000 0.747 567 L CB -0.930 40.717 42.059 -0.687 0.000 0.896 567 L HN 0.423 nan 8.230 nan 0.000 0.432 568 A N -1.312 121.345 122.820 -0.271 0.000 1.897 568 A HA -0.173 4.143 4.320 -0.007 0.000 0.215 568 A C 2.520 180.033 177.584 -0.119 0.000 1.181 568 A CA 1.749 53.682 52.037 -0.174 0.000 0.620 568 A CB -0.606 18.285 19.000 -0.181 0.000 0.821 568 A HN 0.329 nan 8.150 nan 0.000 0.443 569 S N -1.293 114.350 115.700 -0.096 0.000 2.368 569 S HA -0.102 4.364 4.470 -0.007 0.000 0.224 569 S C 1.960 176.572 174.600 0.019 0.000 1.029 569 S CA 2.226 60.417 58.200 -0.015 0.000 0.988 569 S CB -0.303 62.942 63.200 0.075 0.000 0.838 569 S HN 0.583 nan 8.310 nan 0.000 0.462 570 T N 0.998 115.545 114.554 -0.012 0.000 3.004 570 T HA 0.198 4.544 4.350 -0.007 0.000 0.243 570 T C 1.303 175.985 174.700 -0.030 0.000 1.020 570 T CA 0.393 62.511 62.100 0.031 0.000 1.145 570 T CB -0.073 68.894 68.868 0.166 0.000 0.876 570 T HN 0.271 nan 8.240 nan 0.000 0.449 571 E N 1.410 121.506 120.200 -0.173 0.000 2.479 571 E HA 0.165 4.511 4.350 -0.007 0.000 0.193 571 E C -0.131 176.460 176.600 -0.015 0.000 1.049 571 E CA -0.095 56.238 56.400 -0.112 0.000 0.870 571 E CB -0.398 29.162 29.700 -0.233 0.000 0.944 571 E HN 0.527 nan 8.360 nan 0.000 0.492 572 N N 0.781 119.488 118.700 0.011 0.000 2.714 572 N HA -0.203 4.533 4.740 -0.007 0.000 0.252 572 N C -0.866 174.751 175.510 0.178 0.000 1.014 572 N CA 0.247 53.378 53.050 0.135 0.000 0.735 572 N CB -1.190 37.435 38.487 0.230 0.000 0.924 572 N HN 0.218 nan 8.380 nan 0.000 0.540 573 I N 0.955 121.550 120.570 0.041 0.000 2.354 573 I HA 0.319 4.485 4.170 -0.007 0.000 0.292 573 I C 0.628 176.732 176.117 -0.023 0.000 0.989 573 I CA -0.847 60.483 61.300 0.050 0.000 1.188 573 I CB 1.197 39.232 38.000 0.058 0.000 1.342 573 I HN 0.057 nan 8.210 nan 0.000 0.457 574 I N 6.739 127.303 120.570 -0.010 0.000 2.533 574 I HA 0.100 4.266 4.170 -0.007 0.000 0.284 574 I C -0.030 176.081 176.117 -0.009 0.000 1.109 574 I CA 0.016 61.269 61.300 -0.078 0.000 1.412 574 I CB 0.948 38.913 38.000 -0.060 0.000 1.396 574 I HN 0.280 nan 8.210 nan 0.000 0.543 575 V N 7.205 127.099 119.914 -0.033 0.000 2.409 575 V HA 0.835 4.951 4.120 -0.007 0.000 0.291 575 V C -0.147 175.986 176.094 0.065 0.000 1.020 575 V CA -0.129 62.203 62.300 0.054 0.000 0.848 575 V CB 1.308 33.157 31.823 0.043 0.000 0.990 575 V HN 0.827 nan 8.190 nan 0.000 0.430 576 A N 4.860 127.764 122.820 0.141 0.000 2.380 576 A HA 0.967 5.283 4.320 -0.007 0.000 0.315 576 A C -0.305 177.466 177.584 0.311 0.000 1.101 576 A CA -0.577 51.554 52.037 0.158 0.000 0.771 576 A CB 2.146 21.143 19.000 -0.006 0.000 1.287 576 A HN 0.941 nan 8.150 nan 0.000 0.436 577 S N -0.274 115.648 115.700 0.370 0.000 2.548 577 S HA 0.780 5.246 4.470 -0.007 0.000 0.286 577 S C -1.491 173.470 174.600 0.601 0.000 1.098 577 S CA -0.297 58.157 58.200 0.423 0.000 0.930 577 S CB 1.356 64.742 63.200 0.311 0.000 1.070 577 S HN 0.808 nan 8.310 nan 0.000 0.480 578 F N 1.714 121.896 119.950 0.385 0.000 2.581 578 F HA 0.471 4.994 4.527 -0.006 0.000 0.311 578 F C -1.632 174.352 175.800 0.307 0.000 1.113 578 F CA -0.705 57.538 58.000 0.404 0.000 0.935 578 F CB 1.537 40.739 39.000 0.336 0.000 1.232 578 F HN 0.390 nan 8.300 nan 0.000 0.445 579 D N 4.668 124.825 120.400 -0.405 0.000 2.473 579 D HA 0.361 4.997 4.640 -0.007 0.000 0.226 579 D C 0.384 176.368 176.300 -0.527 0.000 1.089 579 D CA 0.112 53.956 54.000 -0.260 0.000 0.883 579 D CB 1.447 42.254 40.800 0.012 0.000 1.029 579 D HN 0.767 nan 8.370 nan 0.000 0.517 580 G N 1.257 109.824 108.800 -0.387 0.000 2.773 580 G HA2 0.270 4.226 3.960 -0.007 0.000 0.186 580 G HA3 0.270 4.226 3.960 -0.007 0.000 0.186 580 G C 0.182 175.100 174.900 0.029 0.000 1.411 580 G CA -0.658 44.278 45.100 -0.274 0.000 1.054 580 G HN 0.274 nan 8.290 nan 0.000 0.579 581 R N -0.624 119.882 120.500 0.010 0.000 2.590 581 R HA 0.392 4.728 4.340 -0.007 0.000 0.274 581 R C 1.199 177.570 176.300 0.119 0.000 1.061 581 R CA 1.232 57.413 56.100 0.135 0.000 1.081 581 R CB 0.630 30.984 30.300 0.090 0.000 0.984 581 R HN 1.007 nan 8.270 nan 0.000 0.448 582 G N 1.091 109.949 108.800 0.096 0.000 2.268 582 G HA2 -0.344 3.612 3.960 -0.007 0.000 0.240 582 G HA3 -0.344 3.612 3.960 -0.007 0.000 0.240 582 G C 0.193 175.064 174.900 -0.048 0.000 1.010 582 G CA 0.230 45.353 45.100 0.039 0.000 0.618 582 G HN 0.734 nan 8.290 nan 0.000 0.516 583 S N 0.559 116.240 115.700 -0.031 0.000 2.584 583 S HA 0.603 5.069 4.470 -0.007 0.000 0.270 583 S C 0.913 175.440 174.600 -0.121 0.000 1.346 583 S CA 0.542 58.696 58.200 -0.076 0.000 1.018 583 S CB 1.642 64.837 63.200 -0.008 0.000 0.899 583 S HN 1.701 nan 8.310 nan 0.000 0.542 584 G N -0.394 108.290 108.800 -0.194 0.000 2.522 584 G HA2 0.481 4.437 3.960 -0.007 0.000 0.304 584 G HA3 0.481 4.437 3.960 -0.007 0.000 0.304 584 G C -0.769 173.972 174.900 -0.265 0.000 1.210 584 G CA -1.012 43.824 45.100 -0.439 0.000 0.960 584 G HN 1.084 nan 8.290 nan 0.000 0.497 585 Y N -2.436 117.843 120.300 -0.035 0.000 4.490 585 Y HA -0.230 4.316 4.550 -0.007 0.000 0.233 585 Y C 1.303 177.198 175.900 -0.008 0.000 1.101 585 Y CA 0.991 59.084 58.100 -0.011 0.000 2.010 585 Y CB -2.028 36.448 38.460 0.026 0.000 1.622 585 Y HN 0.540 nan 8.280 nan 0.000 0.675 586 Q N 0.083 119.887 119.800 0.007 0.000 2.086 586 Q HA 0.493 4.829 4.340 -0.007 0.000 0.220 586 Q C 0.828 176.698 176.000 -0.217 0.000 0.792 586 Q CA 0.164 55.977 55.803 0.015 0.000 1.062 586 Q CB 1.827 30.568 28.738 0.005 0.000 1.198 586 Q HN 0.576 nan 8.270 nan 0.000 0.466 587 G N 0.799 109.334 108.800 -0.442 0.000 2.663 587 G HA2 -0.175 3.781 3.960 -0.007 0.000 0.686 587 G HA3 -0.175 3.781 3.960 -0.007 0.000 0.686 587 G C -0.526 173.992 174.900 -0.637 0.000 1.246 587 G CA -0.566 43.998 45.100 -0.894 0.000 0.795 587 G HN 0.103 nan 8.290 nan 0.000 0.627 588 D N 0.099 120.090 120.400 -0.682 0.000 2.269 588 D HA -0.040 4.596 4.640 -0.007 0.000 0.208 588 D C 2.255 178.261 176.300 -0.491 0.000 0.963 588 D CA 1.377 54.931 54.000 -0.743 0.000 0.864 588 D CB 0.066 40.391 40.800 -0.791 0.000 0.936 588 D HN 0.567 nan 8.370 nan 0.000 0.505 589 K N 1.244 121.414 120.400 -0.384 0.000 2.032 589 K HA -0.116 4.200 4.320 -0.007 0.000 0.209 589 K C 1.855 178.356 176.600 -0.165 0.000 1.048 589 K CA 1.181 57.331 56.287 -0.229 0.000 0.927 589 K CB -0.509 31.869 32.500 -0.203 0.000 0.712 589 K HN 0.137 nan 8.250 nan 0.000 0.441 590 I N -0.098 120.358 120.570 -0.188 0.000 2.277 590 I HA -0.138 4.028 4.170 -0.007 0.000 0.243 590 I C 2.645 178.719 176.117 -0.072 0.000 1.094 590 I CA 1.203 62.457 61.300 -0.076 0.000 1.393 590 I CB -0.146 37.813 38.000 -0.068 0.000 1.078 590 I HN 0.304 nan 8.210 nan 0.000 0.417 591 M N -0.026 119.454 119.600 -0.201 0.000 2.132 591 M HA -0.210 4.266 4.480 -0.007 0.000 0.263 591 M C 1.812 178.094 176.300 -0.030 0.000 1.065 591 M CA 1.952 57.145 55.300 -0.179 0.000 1.122 591 M CB -0.250 32.132 32.600 -0.364 0.000 1.365 591 M HN 0.255 nan 8.290 nan 0.000 0.411 592 H N -0.779 118.167 119.070 -0.206 0.000 2.533 592 H HA 0.202 4.754 4.556 -0.006 0.000 0.271 592 H C 1.785 177.119 175.328 0.010 0.000 1.000 592 H CA 0.094 56.036 56.048 -0.177 0.000 1.149 592 H CB 0.188 29.756 29.762 -0.324 0.000 1.375 592 H HN 0.506 nan 8.280 nan 0.000 0.582 593 A N 1.414 124.317 122.820 0.139 0.000 2.019 593 A HA -0.139 4.177 4.320 -0.007 0.000 0.219 593 A C 1.881 179.657 177.584 0.319 0.000 1.164 593 A CA 1.176 53.304 52.037 0.152 0.000 0.644 593 A CB -0.417 18.619 19.000 0.059 0.000 0.805 593 A HN 0.418 nan 8.150 nan 0.000 0.449 594 I N -1.975 118.770 120.570 0.291 0.000 3.812 594 I HA 0.126 4.292 4.170 -0.007 0.000 0.320 594 I C 0.394 176.617 176.117 0.177 0.000 1.276 594 I CA -1.037 60.413 61.300 0.251 0.000 1.164 594 I CB -1.424 36.684 38.000 0.179 0.000 1.009 594 I HN 0.213 nan 8.210 nan 0.000 0.431 595 N N 3.216 122.058 118.700 0.237 0.000 2.374 595 N HA -0.079 4.657 4.740 -0.007 0.000 0.269 595 N C 0.221 175.772 175.510 0.069 0.000 1.310 595 N CA 0.318 53.499 53.050 0.219 0.000 0.877 595 N CB 0.214 38.805 38.487 0.173 0.000 1.096 595 N HN 0.369 nan 8.380 nan 0.000 0.484 596 R N 0.999 121.510 120.500 0.019 0.000 3.922 596 R HA -0.134 4.202 4.340 -0.007 0.000 0.447 596 R C -0.374 175.805 176.300 -0.201 0.000 1.035 596 R CA 0.858 56.922 56.100 -0.059 0.000 1.289 596 R CB -0.781 29.500 30.300 -0.032 0.000 1.906 596 R HN 0.661 nan 8.270 nan 0.000 0.540 597 R N 0.585 120.955 120.500 -0.216 0.000 2.718 597 R HA 0.214 4.550 4.340 -0.007 0.000 0.307 597 R C -0.749 175.518 176.300 -0.054 0.000 1.244 597 R CA -0.643 55.171 56.100 -0.476 0.000 1.348 597 R CB 0.482 30.508 30.300 -0.456 0.000 1.304 597 R HN -0.125 nan 8.270 nan 0.000 0.663 598 L N 0.391 121.691 121.223 0.128 0.000 2.461 598 L HA 0.256 4.592 4.340 -0.007 0.000 0.272 598 L C 1.507 178.652 176.870 0.458 0.000 1.197 598 L CA 1.347 56.315 54.840 0.214 0.000 0.836 598 L CB 0.432 42.422 42.059 -0.115 0.000 1.105 598 L HN 0.803 nan 8.230 nan 0.000 0.477 599 G N 0.943 110.042 108.800 0.499 0.000 2.160 599 G HA2 -0.293 3.663 3.960 -0.007 0.000 0.244 599 G HA3 -0.293 3.663 3.960 -0.007 0.000 0.244 599 G C 0.540 175.539 174.900 0.164 0.000 1.022 599 G CA 0.905 46.234 45.100 0.382 0.000 0.741 599 G HN 0.919 nan 8.290 nan 0.000 0.508 600 T N -3.796 110.813 114.554 0.091 0.000 3.257 600 T HA 0.462 4.808 4.350 -0.007 0.000 0.176 600 T C 1.655 176.325 174.700 -0.051 0.000 0.892 600 T CA 0.933 62.968 62.100 -0.107 0.000 1.147 600 T CB 0.006 68.613 68.868 -0.435 0.000 1.840 600 T HN 0.140 nan 8.240 nan 0.000 0.375 601 F N 3.429 123.431 119.950 0.087 0.000 2.134 601 F HA 0.099 4.623 4.527 -0.006 0.000 0.299 601 F C 2.825 178.665 175.800 0.067 0.000 1.097 601 F CA 1.231 59.267 58.000 0.059 0.000 1.264 601 F CB -0.650 38.380 39.000 0.050 0.000 1.001 601 F HN 0.498 nan 8.300 nan 0.000 0.479 602 E N 0.833 121.200 120.200 0.279 0.000 2.204 602 E HA -0.120 4.226 4.350 -0.007 0.000 0.194 602 E C 2.096 178.814 176.600 0.198 0.000 0.989 602 E CA 1.354 57.892 56.400 0.229 0.000 0.824 602 E CB -1.041 28.804 29.700 0.242 0.000 0.756 602 E HN 0.291 nan 8.360 nan 0.000 0.477 603 V N 1.777 121.784 119.914 0.156 0.000 2.255 603 V HA -0.225 3.891 4.120 -0.007 0.000 0.243 603 V C 2.388 178.520 176.094 0.064 0.000 1.038 603 V CA 2.167 64.511 62.300 0.072 0.000 1.008 603 V CB -0.677 31.147 31.823 0.001 0.000 0.645 603 V HN 0.212 nan 8.190 nan 0.000 0.449 604 E N 0.201 120.450 120.200 0.082 0.000 2.097 604 E HA -0.280 4.066 4.350 -0.007 0.000 0.196 604 E C 1.889 178.515 176.600 0.043 0.000 1.000 604 E CA 1.708 58.151 56.400 0.072 0.000 0.804 604 E CB -0.224 29.552 29.700 0.126 0.000 0.740 604 E HN 0.586 nan 8.360 nan 0.000 0.454 605 D N 0.008 120.452 120.400 0.074 0.000 2.224 605 D HA -0.112 4.524 4.640 -0.007 0.000 0.205 605 D C 1.955 178.243 176.300 -0.019 0.000 0.965 605 D CA 0.677 54.699 54.000 0.037 0.000 0.852 605 D CB -0.060 40.824 40.800 0.140 0.000 0.947 605 D HN 0.109 nan 8.370 nan 0.000 0.494 606 Q N 0.104 119.950 119.800 0.077 0.000 2.123 606 Q HA -0.007 4.329 4.340 -0.007 0.000 0.199 606 Q C 2.530 178.558 176.000 0.046 0.000 0.966 606 Q CA 0.497 56.347 55.803 0.078 0.000 0.845 606 Q CB -0.063 28.749 28.738 0.123 0.000 0.907 606 Q HN 0.416 nan 8.270 nan 0.000 0.439 607 I N 0.737 121.352 120.570 0.075 0.000 2.179 607 I HA -0.259 3.907 4.170 -0.007 0.000 0.242 607 I C 2.400 178.469 176.117 -0.080 0.000 1.088 607 I CA 1.201 62.585 61.300 0.140 0.000 1.357 607 I CB -0.202 37.868 38.000 0.117 0.000 1.051 607 I HN 0.141 nan 8.210 nan 0.000 0.409 608 E N 1.524 121.623 120.200 -0.169 0.000 2.077 608 E HA -0.188 4.158 4.350 -0.007 0.000 0.193 608 E C 2.120 178.418 176.600 -0.504 0.000 0.989 608 E CA 1.629 57.865 56.400 -0.273 0.000 0.800 608 E CB -0.221 29.344 29.700 -0.226 0.000 0.746 608 E HN 0.395 nan 8.360 nan 0.000 0.452 609 A N 0.936 123.285 122.820 -0.785 0.000 1.892 609 A HA -0.161 4.155 4.320 -0.007 0.000 0.218 609 A C 2.478 179.298 177.584 -1.274 0.000 1.188 609 A CA 2.528 53.766 52.037 -1.332 0.000 0.631 609 A CB -1.183 16.819 19.000 -1.665 0.000 0.822 609 A HN 0.403 nan 8.150 nan 0.000 0.447 610 A N -0.541 121.882 122.820 -0.663 0.000 1.933 610 A HA -0.148 4.168 4.320 -0.007 0.000 0.218 610 A C 2.233 179.590 177.584 -0.379 0.000 1.175 610 A CA 1.457 53.251 52.037 -0.406 0.000 0.628 610 A CB -0.457 18.378 19.000 -0.273 0.000 0.814 610 A HN 0.568 nan 8.150 nan 0.000 0.444 611 R N -0.611 119.674 120.500 -0.360 0.000 2.081 611 R HA -0.137 4.199 4.340 -0.007 0.000 0.235 611 R C 2.406 178.539 176.300 -0.278 0.000 1.131 611 R CA 1.483 57.419 56.100 -0.274 0.000 0.960 611 R CB -0.321 29.849 30.300 -0.217 0.000 0.856 611 R HN 0.596 nan 8.270 nan 0.000 0.436 612 Q N -0.123 119.445 119.800 -0.387 0.000 2.084 612 Q HA -0.144 4.192 4.340 -0.007 0.000 0.202 612 Q C 2.073 177.936 176.000 -0.229 0.000 0.978 612 Q CA 1.373 56.973 55.803 -0.338 0.000 0.844 612 Q CB -0.222 28.244 28.738 -0.453 0.000 0.898 612 Q HN 0.293 nan 8.270 nan 0.000 0.426 613 F N 0.937 120.697 119.950 -0.315 0.000 2.134 613 F HA -0.120 4.403 4.527 -0.007 0.000 0.299 613 F C 2.738 178.310 175.800 -0.380 0.000 1.097 613 F CA 1.003 58.792 58.000 -0.352 0.000 1.264 613 F CB -1.331 37.506 39.000 -0.272 0.000 1.001 613 F HN 0.032 nan 8.300 nan 0.000 0.479 614 S N -0.317 115.312 115.700 -0.118 0.000 2.382 614 S HA -0.177 4.289 4.470 -0.007 0.000 0.228 614 S C 2.172 176.663 174.600 -0.182 0.000 1.027 614 S CA 1.087 59.187 58.200 -0.167 0.000 0.991 614 S CB -0.239 62.864 63.200 -0.161 0.000 0.823 614 S HN 0.146 nan 8.310 nan 0.000 0.469 615 K N 0.381 120.679 120.400 -0.170 0.000 2.432 615 K HA 0.186 4.502 4.320 -0.007 0.000 0.196 615 K C 1.657 178.168 176.600 -0.149 0.000 1.038 615 K CA 0.367 56.571 56.287 -0.140 0.000 0.986 615 K CB -0.231 32.197 32.500 -0.119 0.000 0.782 615 K HN 0.509 nan 8.250 nan 0.000 0.485 616 M N -1.199 118.259 119.600 -0.236 0.000 2.476 616 M HA -0.038 4.438 4.480 -0.007 0.000 0.262 616 M C 1.161 177.284 176.300 -0.296 0.000 1.079 616 M CA 1.129 56.256 55.300 -0.289 0.000 1.104 616 M CB 0.212 32.520 32.600 -0.487 0.000 1.409 616 M HN 0.339 nan 8.290 nan 0.000 0.467 617 G N 0.635 109.260 108.800 -0.292 0.000 2.195 617 G HA2 -0.285 3.671 3.960 -0.007 0.000 0.246 617 G HA3 -0.285 3.671 3.960 -0.007 0.000 0.246 617 G C 0.403 175.293 174.900 -0.017 0.000 0.984 617 G CA 0.259 45.292 45.100 -0.111 0.000 0.633 617 G HN 0.630 nan 8.290 nan 0.000 0.525 618 F N -0.124 119.870 119.950 0.073 0.000 2.735 618 F HA 0.772 5.295 4.527 -0.007 0.000 0.304 618 F C 0.006 175.901 175.800 0.157 0.000 1.119 618 F CA -1.045 57.027 58.000 0.121 0.000 1.280 618 F CB 0.447 39.562 39.000 0.191 0.000 0.994 618 F HN 0.054 nan 8.300 nan 0.000 0.520 619 V N 1.305 121.218 119.914 -0.002 0.000 2.448 619 V HA 0.201 4.317 4.120 -0.007 0.000 0.295 619 V C -0.682 175.396 176.094 -0.028 0.000 1.025 619 V CA -0.740 61.569 62.300 0.014 0.000 0.859 619 V CB 1.595 33.366 31.823 -0.087 0.000 0.988 619 V HN 0.108 nan 8.190 nan 0.000 0.431 620 D N 4.054 124.433 120.400 -0.034 0.000 2.359 620 D HA 0.020 4.656 4.640 -0.007 0.000 0.250 620 D C 1.146 177.383 176.300 -0.105 0.000 1.264 620 D CA -0.136 53.815 54.000 -0.082 0.000 0.911 620 D CB 0.633 41.364 40.800 -0.116 0.000 1.056 620 D HN 0.655 nan 8.370 nan 0.000 0.499 621 N N 3.307 121.951 118.700 -0.094 0.000 2.521 621 N HA -0.117 4.619 4.740 -0.007 0.000 0.188 621 N C 0.694 176.154 175.510 -0.084 0.000 1.146 621 N CA 0.499 53.486 53.050 -0.105 0.000 0.893 621 N CB -0.054 38.365 38.487 -0.113 0.000 0.975 621 N HN 0.344 nan 8.380 nan 0.000 0.451 622 K N -0.152 120.208 120.400 -0.066 0.000 2.418 622 K HA 0.153 4.469 4.320 -0.007 0.000 0.195 622 K C 0.198 176.793 176.600 -0.007 0.000 1.035 622 K CA 0.364 56.632 56.287 -0.032 0.000 1.003 622 K CB 0.333 32.817 32.500 -0.026 0.000 0.793 622 K HN 0.158 nan 8.250 nan 0.000 0.494 623 R N 1.184 121.640 120.500 -0.073 0.000 2.681 623 R HA 0.341 4.677 4.340 -0.007 0.000 0.277 623 R C -1.041 175.131 176.300 -0.214 0.000 1.563 623 R CA -0.127 55.892 56.100 -0.135 0.000 1.673 623 R CB 0.595 30.637 30.300 -0.430 0.000 1.258 623 R HN 0.000 nan 8.270 nan 0.000 0.650 624 I N 1.172 121.784 120.570 0.069 0.000 2.389 624 I HA 0.526 4.693 4.170 -0.007 0.000 0.288 624 I C 0.035 176.425 176.117 0.455 0.000 0.999 624 I CA -0.695 60.687 61.300 0.136 0.000 1.129 624 I CB 1.887 39.808 38.000 -0.132 0.000 1.288 624 I HN 0.297 nan 8.210 nan 0.000 0.444 625 A N 7.073 130.296 122.820 0.672 0.000 2.344 625 A HA 0.931 5.247 4.320 -0.007 0.000 0.307 625 A C -1.038 176.943 177.584 0.662 0.000 1.151 625 A CA -0.679 51.753 52.037 0.658 0.000 0.842 625 A CB 1.979 21.269 19.000 0.482 0.000 1.350 625 A HN 0.725 nan 8.150 nan 0.000 0.459 626 I N 0.502 121.361 120.570 0.483 0.000 2.644 626 I HA 0.620 4.786 4.170 -0.007 0.000 0.291 626 I C -1.857 174.509 176.117 0.415 0.000 1.180 626 I CA -0.516 60.982 61.300 0.330 0.000 1.040 626 I CB 1.448 39.342 38.000 -0.176 0.000 1.255 626 I HN 0.928 nan 8.210 nan 0.000 0.422 627 W N 7.270 128.700 121.300 0.217 0.000 3.062 627 W HA 0.894 5.550 4.660 -0.006 0.000 0.336 627 W C -1.388 175.266 176.519 0.226 0.000 1.224 627 W CA -1.105 56.370 57.345 0.216 0.000 1.159 627 W CB 1.215 30.850 29.460 0.291 0.000 1.454 627 W HN 0.814 nan 8.180 nan 0.000 0.569 628 G N 0.506 109.181 108.800 -0.207 0.000 2.579 628 G HA2 0.404 4.360 3.960 -0.007 0.000 0.292 628 G HA3 0.404 4.360 3.960 -0.007 0.000 0.292 628 G C -2.679 172.110 174.900 -0.184 0.000 1.484 628 G CA -0.788 44.030 45.100 -0.469 0.000 0.813 628 G HN 0.609 nan 8.290 nan 0.000 0.515 629 W N 1.049 122.141 121.300 -0.347 0.000 2.639 629 W HA 0.572 5.228 4.660 -0.006 0.000 0.347 629 W C 0.925 177.372 176.519 -0.120 0.000 1.067 629 W CA 0.676 57.908 57.345 -0.188 0.000 1.218 629 W CB 1.709 31.050 29.460 -0.198 0.000 1.393 629 W HN 1.073 nan 8.180 nan 0.000 0.557 630 S N 1.387 117.242 115.700 0.257 0.000 4.114 630 S HA -0.429 4.037 4.470 -0.007 0.000 0.618 630 S C 0.841 175.531 174.600 0.150 0.000 1.937 630 S CA 1.617 59.972 58.200 0.257 0.000 4.228 630 S CB -1.585 61.808 63.200 0.321 0.000 0.216 630 S HN 0.751 nan 8.310 nan 0.000 0.528 631 Y N 2.858 123.219 120.300 0.102 0.000 2.207 631 Y HA -0.054 4.492 4.550 -0.006 0.000 0.287 631 Y C 2.477 178.547 175.900 0.283 0.000 1.156 631 Y CA 2.145 60.399 58.100 0.257 0.000 1.182 631 Y CB -0.915 37.814 38.460 0.448 0.000 0.979 631 Y HN 0.566 nan 8.280 nan 0.000 0.521 632 G N -1.040 107.987 108.800 0.377 0.000 2.448 632 G HA2 -0.217 3.739 3.960 -0.007 0.000 0.219 632 G HA3 -0.217 3.739 3.960 -0.007 0.000 0.219 632 G C 1.836 176.797 174.900 0.102 0.000 1.127 632 G CA 0.729 45.966 45.100 0.229 0.000 0.766 632 G HN 0.567 nan 8.290 nan 0.000 0.552 633 G N -0.157 108.689 108.800 0.076 0.000 2.394 633 G HA2 -0.202 3.754 3.960 -0.007 0.000 0.215 633 G HA3 -0.202 3.754 3.960 -0.007 0.000 0.215 633 G C 1.544 176.475 174.900 0.051 0.000 1.165 633 G CA 0.953 46.075 45.100 0.036 0.000 0.784 633 G HN 0.465 nan 8.290 nan 0.000 0.535 634 Y N 1.136 121.362 120.300 -0.123 0.000 2.114 634 Y HA -0.171 4.375 4.550 -0.007 0.000 0.284 634 Y C 2.792 178.621 175.900 -0.119 0.000 1.143 634 Y CA 1.897 59.871 58.100 -0.210 0.000 1.135 634 Y CB -0.182 38.003 38.460 -0.458 0.000 0.980 634 Y HN 0.034 nan 8.280 nan 0.000 0.499 635 V N -0.241 119.584 119.914 -0.149 0.000 2.358 635 V HA -0.307 3.809 4.120 -0.007 0.000 0.246 635 V C 2.289 178.291 176.094 -0.153 0.000 1.047 635 V CA 2.331 64.534 62.300 -0.162 0.000 1.035 635 V CB -1.141 30.755 31.823 0.121 0.000 0.658 635 V HN 0.497 nan 8.190 nan 0.000 0.452 636 T N -0.040 114.475 114.554 -0.065 0.000 2.665 636 T HA -0.217 4.129 4.350 -0.007 0.000 0.268 636 T C 2.162 176.810 174.700 -0.087 0.000 1.035 636 T CA 2.108 64.172 62.100 -0.060 0.000 1.151 636 T CB -0.283 68.623 68.868 0.062 0.000 0.862 636 T HN 0.507 nan 8.240 nan 0.000 0.438 637 S N 0.905 116.584 115.700 -0.035 0.000 2.368 637 S HA -0.012 4.454 4.470 -0.007 0.000 0.224 637 S C 2.149 176.658 174.600 -0.153 0.000 1.029 637 S CA 0.930 59.134 58.200 0.007 0.000 0.988 637 S CB -0.275 62.980 63.200 0.091 0.000 0.838 637 S HN 0.327 nan 8.310 nan 0.000 0.462 638 M N 0.898 120.326 119.600 -0.286 0.000 2.159 638 M HA -0.033 4.443 4.480 -0.007 0.000 0.263 638 M C 2.160 178.298 176.300 -0.270 0.000 1.063 638 M CA 1.064 56.174 55.300 -0.318 0.000 1.110 638 M CB -1.347 30.960 32.600 -0.488 0.000 1.374 638 M HN 0.179 nan 8.290 nan 0.000 0.411 639 V N 0.455 120.201 119.914 -0.279 0.000 2.379 639 V HA -0.209 3.907 4.120 -0.007 0.000 0.245 639 V C 2.462 178.363 176.094 -0.322 0.000 1.044 639 V CA 1.218 63.350 62.300 -0.280 0.000 1.036 639 V CB -0.544 31.044 31.823 -0.392 0.000 0.664 639 V HN 0.397 nan 8.190 nan 0.000 0.453 640 L N 0.410 121.373 121.223 -0.433 0.000 2.201 640 L HA -0.030 4.306 4.340 -0.007 0.000 0.212 640 L C 2.193 178.537 176.870 -0.876 0.000 1.105 640 L CA 1.466 55.950 54.840 -0.592 0.000 0.775 640 L CB -0.674 40.980 42.059 -0.676 0.000 0.913 640 L HN 0.479 nan 8.230 nan 0.000 0.440 641 G N -1.346 106.950 108.800 -0.840 0.000 3.284 641 G HA2 -0.033 3.923 3.960 -0.007 0.000 0.236 641 G HA3 -0.033 3.923 3.960 -0.007 0.000 0.236 641 G C 1.486 176.233 174.900 -0.255 0.000 1.158 641 G CA 0.558 45.301 45.100 -0.594 0.000 0.774 641 G HN 0.416 nan 8.290 nan 0.000 0.545 642 S N -0.565 115.003 115.700 -0.221 0.000 2.461 642 S HA 0.280 4.746 4.470 -0.007 0.000 0.228 642 S C 1.963 176.519 174.600 -0.074 0.000 1.005 642 S CA 1.062 59.193 58.200 -0.116 0.000 0.942 642 S CB -0.159 62.989 63.200 -0.087 0.000 0.776 642 S HN 1.373 nan 8.310 nan 0.000 0.514 643 G N 1.281 110.032 108.800 -0.082 0.000 2.147 643 G HA2 -0.328 3.628 3.960 -0.007 0.000 0.244 643 G HA3 -0.328 3.628 3.960 -0.007 0.000 0.244 643 G C 0.927 175.816 174.900 -0.019 0.000 1.005 643 G CA 0.950 46.023 45.100 -0.045 0.000 0.713 643 G HN 1.264 nan 8.290 nan 0.000 0.515 644 S N -0.682 115.016 115.700 -0.003 0.000 2.428 644 S HA 0.321 4.788 4.470 -0.007 0.000 0.230 644 S C 2.521 177.128 174.600 0.011 0.000 1.014 644 S CA 1.642 59.852 58.200 0.017 0.000 0.957 644 S CB -0.208 63.029 63.200 0.061 0.000 0.784 644 S HN 2.387 nan 8.310 nan 0.000 0.499 645 G N 0.152 108.966 108.800 0.023 0.000 2.189 645 G HA2 -0.286 3.670 3.960 -0.007 0.000 0.267 645 G HA3 -0.286 3.670 3.960 -0.007 0.000 0.267 645 G C 0.760 175.648 174.900 -0.019 0.000 0.975 645 G CA 0.485 45.590 45.100 0.009 0.000 0.644 645 G HN 0.697 nan 8.290 nan 0.000 0.537 646 V N -0.676 119.216 119.914 -0.037 0.000 2.591 646 V HA 0.266 4.382 4.120 -0.007 0.000 0.249 646 V C 1.218 177.101 176.094 -0.352 0.000 1.053 646 V CA 1.404 63.558 62.300 -0.243 0.000 1.068 646 V CB -0.319 31.269 31.823 -0.392 0.000 0.689 646 V HN 0.302 nan 8.190 nan 0.000 0.462 647 F N -0.053 119.909 119.950 0.020 0.000 2.421 647 F HA 0.393 4.916 4.527 -0.007 0.000 0.337 647 F C 1.120 176.966 175.800 0.077 0.000 1.105 647 F CA -0.461 57.579 58.000 0.067 0.000 1.049 647 F CB 1.396 40.437 39.000 0.068 0.000 1.139 647 F HN -0.252 nan 8.300 nan 0.000 0.479 648 K N 1.558 122.126 120.400 0.280 0.000 2.098 648 K HA 0.100 4.416 4.320 -0.007 0.000 0.203 648 K C -0.019 176.723 176.600 0.237 0.000 1.051 648 K CA 0.955 57.372 56.287 0.217 0.000 0.957 648 K CB 0.263 32.896 32.500 0.222 0.000 0.738 648 K HN 0.804 nan 8.250 nan 0.000 0.447 649 c N -2.814 115.971 118.600 0.309 0.000 3.332 649 c HA 0.907 5.473 4.570 -0.007 0.000 0.329 649 c C -0.248 174.083 174.090 0.403 0.000 1.434 649 c CA -0.550 55.985 56.329 0.343 0.000 1.314 649 c CB 1.106 43.765 42.510 0.248 0.000 1.664 649 c HN 0.380 nan 8.230 nan 0.000 0.457 650 G N -0.110 108.984 108.800 0.490 0.000 2.632 650 G HA2 0.659 4.615 3.960 -0.007 0.000 0.292 650 G HA3 0.659 4.615 3.960 -0.007 0.000 0.292 650 G C -2.029 173.067 174.900 0.327 0.000 1.465 650 G CA -0.664 44.684 45.100 0.415 0.000 0.824 650 G HN 1.000 nan 8.290 nan 0.000 0.509 651 I N 1.031 121.766 120.570 0.274 0.000 2.418 651 I HA 0.593 4.759 4.170 -0.007 0.000 0.287 651 I C 0.315 176.529 176.117 0.162 0.000 1.008 651 I CA -0.910 60.431 61.300 0.068 0.000 1.104 651 I CB 2.140 40.163 38.000 0.037 0.000 1.264 651 I HN 0.646 nan 8.210 nan 0.000 0.438 652 A N 6.741 129.558 122.820 -0.006 0.000 2.271 652 A HA 0.740 5.056 4.320 -0.007 0.000 0.317 652 A C -0.554 176.922 177.584 -0.181 0.000 1.245 652 A CA -0.486 51.550 52.037 -0.002 0.000 0.857 652 A CB 0.859 19.924 19.000 0.108 0.000 1.175 652 A HN 0.460 nan 8.150 nan 0.000 0.512 653 V N 2.327 122.071 119.914 -0.283 0.000 2.370 653 V HA 0.542 4.658 4.120 -0.007 0.000 0.283 653 V C 0.974 176.619 176.094 -0.747 0.000 1.023 653 V CA 0.310 62.206 62.300 -0.675 0.000 0.857 653 V CB 0.620 31.685 31.823 -1.264 0.000 0.985 653 V HN 2.011 nan 8.190 nan 0.000 0.443 654 A N 5.771 128.160 122.820 -0.718 0.000 2.415 654 A HA -0.106 4.210 4.320 -0.007 0.000 0.292 654 A C -1.772 175.647 177.584 -0.276 0.000 1.452 654 A CA 0.361 51.902 52.037 -0.826 0.000 0.750 654 A CB -1.550 17.038 19.000 -0.688 0.000 1.099 654 A HN 0.625 nan 8.150 nan 0.000 0.391 655 P HA 0.424 nan 4.420 nan 0.000 0.281 655 P C 0.202 177.464 177.300 -0.062 0.000 1.249 655 P CA -0.246 62.823 63.100 -0.052 0.000 0.810 655 P CB 1.178 32.874 31.700 -0.006 0.000 1.008 656 V N 2.192 121.980 119.914 -0.211 0.000 2.637 656 V HA 0.048 4.164 4.120 -0.007 0.000 0.296 656 V C 1.777 177.708 176.094 -0.272 0.000 1.046 656 V CA 0.985 63.025 62.300 -0.433 0.000 1.066 656 V CB 0.529 31.699 31.823 -1.089 0.000 0.968 656 V HN 0.819 nan 8.190 nan 0.000 0.483 657 S N 3.705 119.274 115.700 -0.219 0.000 2.524 657 S HA 0.290 4.756 4.470 -0.007 0.000 0.222 657 S C 0.571 175.035 174.600 -0.227 0.000 1.040 657 S CA -0.332 57.804 58.200 -0.107 0.000 0.915 657 S CB 0.316 63.506 63.200 -0.017 0.000 0.831 657 S HN 0.723 nan 8.310 nan 0.000 0.492 658 R N -0.889 119.343 120.500 -0.446 0.000 2.560 658 R HA 0.313 4.649 4.340 -0.007 0.000 0.267 658 R C -1.163 174.832 176.300 -0.507 0.000 1.150 658 R CA -0.635 55.153 56.100 -0.520 0.000 0.997 658 R CB 0.246 30.093 30.300 -0.754 0.000 1.250 658 R HN 0.229 nan 8.270 nan 0.000 0.433 659 W N 2.061 123.274 121.300 -0.144 0.000 2.392 659 W HA -0.060 4.596 4.660 -0.006 0.000 0.279 659 W C 1.267 177.924 176.519 0.230 0.000 1.225 659 W CA 0.672 58.027 57.345 0.017 0.000 1.233 659 W CB 0.347 29.731 29.460 -0.127 0.000 1.122 659 W HN 0.707 nan 8.180 nan 0.000 0.561 660 E N -0.918 119.471 120.200 0.315 0.000 2.333 660 E HA -0.201 4.145 4.350 -0.007 0.000 0.198 660 E C 1.377 178.137 176.600 0.267 0.000 1.007 660 E CA 1.045 57.567 56.400 0.203 0.000 0.845 660 E CB -0.449 29.262 29.700 0.019 0.000 0.766 660 E HN 0.358 nan 8.360 nan 0.000 0.507 661 Y N -1.367 119.041 120.300 0.180 0.000 2.519 661 Y HA 0.067 4.613 4.550 -0.007 0.000 0.287 661 Y C 0.688 176.711 175.900 0.205 0.000 1.128 661 Y CA -0.345 57.833 58.100 0.130 0.000 1.282 661 Y CB -0.532 37.950 38.460 0.036 0.000 1.027 661 Y HN 0.032 nan 8.280 nan 0.000 0.551 662 Y N 1.887 122.362 120.300 0.291 0.000 2.392 662 Y HA 0.296 4.842 4.550 -0.007 0.000 0.323 662 Y C 0.295 176.415 175.900 0.367 0.000 1.291 662 Y CA -2.198 56.081 58.100 0.298 0.000 1.345 662 Y CB 0.387 39.056 38.460 0.347 0.000 1.320 662 Y HN 0.171 nan 8.280 nan 0.000 0.518 663 D N -0.424 119.665 120.400 -0.518 0.000 2.382 663 D HA 0.065 4.701 4.640 -0.007 0.000 0.240 663 D C 0.873 177.118 176.300 -0.092 0.000 1.146 663 D CA 0.403 54.158 54.000 -0.409 0.000 0.897 663 D CB 0.894 41.232 40.800 -0.770 0.000 1.197 663 D HN 0.471 nan 8.370 nan 0.000 0.432 664 S N 0.941 116.604 115.700 -0.062 0.000 2.368 664 S HA -0.164 4.302 4.470 -0.007 0.000 0.224 664 S C 1.862 176.475 174.600 0.021 0.000 1.029 664 S CA 0.921 59.147 58.200 0.043 0.000 0.988 664 S CB -0.787 62.451 63.200 0.063 0.000 0.838 664 S HN 0.412 nan 8.310 nan 0.000 0.462 665 V N 0.754 120.623 119.914 -0.074 0.000 2.270 665 V HA -0.136 3.980 4.120 -0.007 0.000 0.245 665 V C 2.268 178.266 176.094 -0.160 0.000 1.043 665 V CA 2.056 64.227 62.300 -0.215 0.000 1.014 665 V CB -1.052 30.497 31.823 -0.457 0.000 0.645 665 V HN 0.559 nan 8.190 nan 0.000 0.447 666 Y N 1.440 121.670 120.300 -0.116 0.000 2.089 666 Y HA -0.267 4.279 4.550 -0.007 0.000 0.282 666 Y C 2.768 178.658 175.900 -0.017 0.000 1.139 666 Y CA 2.504 60.621 58.100 0.029 0.000 1.123 666 Y CB -0.619 38.054 38.460 0.355 0.000 0.980 666 Y HN 0.224 nan 8.280 nan 0.000 0.493 667 T N 0.349 115.084 114.554 0.302 0.000 2.622 667 T HA -0.223 4.123 4.350 -0.007 0.000 0.266 667 T C 1.564 176.209 174.700 -0.091 0.000 1.047 667 T CA 1.991 64.201 62.100 0.183 0.000 1.159 667 T CB -0.395 68.740 68.868 0.445 0.000 0.863 667 T HN 0.444 nan 8.240 nan 0.000 0.422 668 E N 0.559 120.740 120.200 -0.031 0.000 2.265 668 E HA -0.109 4.237 4.350 -0.007 0.000 0.196 668 E C 2.335 178.797 176.600 -0.231 0.000 0.996 668 E CA 0.429 56.804 56.400 -0.042 0.000 0.832 668 E CB -0.141 29.586 29.700 0.045 0.000 0.756 668 E HN 0.347 nan 8.360 nan 0.000 0.491 669 R N 0.229 120.421 120.500 -0.514 0.000 2.105 669 R HA -0.196 4.140 4.340 -0.007 0.000 0.239 669 R C 1.224 176.957 176.300 -0.946 0.000 1.135 669 R CA 1.631 57.218 56.100 -0.854 0.000 0.967 669 R CB 0.003 29.430 30.300 -1.455 0.000 0.861 669 R HN 0.253 nan 8.270 nan 0.000 0.442 670 Y N -2.195 117.780 120.300 -0.542 0.000 2.524 670 Y HA 0.215 4.761 4.550 -0.007 0.000 0.270 670 Y C 1.801 177.508 175.900 -0.322 0.000 1.094 670 Y CA -0.005 57.777 58.100 -0.530 0.000 1.276 670 Y CB 0.348 38.378 38.460 -0.718 0.000 1.130 670 Y HN -0.051 nan 8.280 nan 0.000 0.536 671 M N -0.452 119.031 119.600 -0.196 0.000 2.367 671 M HA 0.353 4.829 4.480 -0.007 0.000 0.256 671 M C 1.171 177.483 176.300 0.020 0.000 1.091 671 M CA 0.842 56.027 55.300 -0.190 0.000 1.049 671 M CB -0.411 31.889 32.600 -0.499 0.000 1.406 671 M HN 0.366 nan 8.290 nan 0.000 0.498 672 G N 1.747 110.572 108.800 0.042 0.000 2.562 672 G HA2 -0.218 3.738 3.960 -0.007 0.000 0.250 672 G HA3 -0.218 3.738 3.960 -0.007 0.000 0.250 672 G C -0.720 174.307 174.900 0.211 0.000 1.269 672 G CA -0.742 44.421 45.100 0.105 0.000 0.919 672 G HN 0.243 nan 8.290 nan 0.000 0.574 673 L N 2.507 123.827 121.223 0.161 0.000 2.325 673 L HA 0.548 4.884 4.340 -0.007 0.000 0.279 673 L C -1.491 175.380 176.870 0.001 0.000 1.054 673 L CA -2.096 52.794 54.840 0.084 0.000 0.804 673 L CB 1.238 43.311 42.059 0.024 0.000 1.200 673 L HN 0.409 nan 8.230 nan 0.000 0.436 674 P HA 0.130 nan 4.420 nan 0.000 0.220 674 P C -0.728 176.427 177.300 -0.242 0.000 1.806 674 P CA -0.139 62.563 63.100 -0.663 0.000 0.976 674 P CB -0.437 30.560 31.700 -1.172 0.000 1.952 675 T N -2.692 111.808 114.554 -0.091 0.000 2.907 675 T HA 0.481 4.827 4.350 -0.007 0.000 0.292 675 T C -2.373 172.327 174.700 -0.000 0.000 1.043 675 T CA -2.535 59.540 62.100 -0.041 0.000 1.003 675 T CB 1.938 70.791 68.868 -0.026 0.000 1.084 675 T HN -0.299 nan 8.240 nan 0.000 0.483 676 P HA -0.111 nan 4.420 nan 0.000 0.218 676 P C 1.180 178.493 177.300 0.022 0.000 1.146 676 P CA 0.988 64.098 63.100 0.017 0.000 0.813 676 P CB 0.128 31.835 31.700 0.010 0.000 0.778 677 E N -1.848 118.361 120.200 0.016 0.000 2.479 677 E HA 0.035 4.381 4.350 -0.007 0.000 0.193 677 E C 0.731 177.346 176.600 0.025 0.000 1.049 677 E CA 0.376 56.787 56.400 0.017 0.000 0.870 677 E CB -0.155 29.550 29.700 0.009 0.000 0.944 677 E HN 0.244 nan 8.360 nan 0.000 0.492 678 D N 1.139 121.560 120.400 0.036 0.000 3.168 678 D HA 0.043 4.679 4.640 -0.007 0.000 0.219 678 D C 0.145 176.497 176.300 0.087 0.000 1.310 678 D CA -0.113 53.919 54.000 0.054 0.000 1.348 678 D CB -0.004 40.830 40.800 0.057 0.000 0.925 678 D HN 0.016 nan 8.370 nan 0.000 0.185 679 N N 0.146 118.930 118.700 0.141 0.000 2.351 679 N HA 0.099 4.835 4.740 -0.007 0.000 0.254 679 N C 1.014 176.717 175.510 0.320 0.000 1.241 679 N CA -0.084 53.098 53.050 0.220 0.000 0.883 679 N CB 0.161 38.798 38.487 0.250 0.000 1.202 679 N HN 0.095 nan 8.380 nan 0.000 0.512 680 L N 0.461 121.793 121.223 0.183 0.000 2.043 680 L HA -0.127 4.209 4.340 -0.007 0.000 0.212 680 L C 1.173 178.155 176.870 0.187 0.000 1.075 680 L CA 1.967 56.892 54.840 0.141 0.000 0.752 680 L CB -0.495 41.583 42.059 0.030 0.000 0.891 680 L HN 0.148 nan 8.230 nan 0.000 0.432 681 D N -1.590 118.902 120.400 0.153 0.000 2.123 681 D HA -0.251 4.385 4.640 -0.007 0.000 0.196 681 D C 2.111 178.509 176.300 0.164 0.000 0.992 681 D CA 1.735 55.815 54.000 0.133 0.000 0.833 681 D CB -0.154 40.712 40.800 0.110 0.000 0.954 681 D HN 0.581 nan 8.370 nan 0.000 0.455 682 H N -1.018 118.120 119.070 0.113 0.000 2.395 682 H HA -0.059 4.493 4.556 -0.006 0.000 0.299 682 H C 1.716 177.109 175.328 0.107 0.000 1.070 682 H CA 1.275 57.368 56.048 0.075 0.000 1.356 682 H CB -0.329 29.444 29.762 0.017 0.000 1.401 682 H HN 0.148 nan 8.280 nan 0.000 0.524 683 Y N 0.379 120.689 120.300 0.016 0.000 2.114 683 Y HA -0.264 4.283 4.550 -0.006 0.000 0.282 683 Y C 2.751 178.626 175.900 -0.042 0.000 1.165 683 Y CA 1.950 60.057 58.100 0.010 0.000 1.148 683 Y CB -0.140 38.351 38.460 0.053 0.000 0.972 683 Y HN 0.098 nan 8.280 nan 0.000 0.504 684 R N 0.118 120.703 120.500 0.143 0.000 2.115 684 R HA -0.102 4.234 4.340 -0.007 0.000 0.230 684 R C 1.538 177.838 176.300 0.000 0.000 1.111 684 R CA 1.591 57.725 56.100 0.056 0.000 0.976 684 R CB -0.320 30.013 30.300 0.056 0.000 0.870 684 R HN 0.474 nan 8.270 nan 0.000 0.445 685 N N -1.035 117.640 118.700 -0.043 0.000 2.422 685 N HA -0.040 4.696 4.740 -0.007 0.000 0.181 685 N C 0.115 175.552 175.510 -0.122 0.000 1.080 685 N CA 0.668 53.680 53.050 -0.064 0.000 0.893 685 N CB 0.450 38.931 38.487 -0.010 0.000 0.973 685 N HN 0.133 nan 8.380 nan 0.000 0.456 686 S N -0.115 115.474 115.700 -0.185 0.000 2.588 686 S HA 0.059 4.525 4.470 -0.007 0.000 0.245 686 S C 0.520 175.164 174.600 0.073 0.000 1.021 686 S CA -0.783 57.364 58.200 -0.087 0.000 1.006 686 S CB -0.207 62.868 63.200 -0.209 0.000 0.830 686 S HN 0.127 nan 8.310 nan 0.000 0.468 687 T N -1.440 113.116 114.554 0.002 0.000 2.899 687 T HA 0.504 4.850 4.350 -0.007 0.000 0.284 687 T C 1.294 175.989 174.700 -0.008 0.000 1.004 687 T CA -0.591 61.502 62.100 -0.013 0.000 1.043 687 T CB 1.287 70.117 68.868 -0.063 0.000 1.013 687 T HN -0.036 nan 8.240 nan 0.000 0.518 688 V N 1.899 121.803 119.914 -0.018 0.000 2.407 688 V HA -0.091 4.025 4.120 -0.007 0.000 0.245 688 V C 2.652 178.714 176.094 -0.054 0.000 1.041 688 V CA 1.459 63.736 62.300 -0.038 0.000 1.040 688 V CB -0.930 30.863 31.823 -0.050 0.000 0.671 688 V HN 0.823 nan 8.190 nan 0.000 0.455 689 M N 1.328 120.883 119.600 -0.075 0.000 2.144 689 M HA -0.185 4.291 4.480 -0.007 0.000 0.260 689 M C 2.329 178.598 176.300 -0.052 0.000 1.067 689 M CA 2.264 57.514 55.300 -0.084 0.000 1.095 689 M CB -0.990 31.575 32.600 -0.058 0.000 1.365 689 M HN 0.535 nan 8.290 nan 0.000 0.406 690 S N -0.612 115.070 115.700 -0.030 0.000 2.474 690 S HA -0.057 4.409 4.470 -0.007 0.000 0.235 690 S C 1.786 176.387 174.600 0.002 0.000 0.997 690 S CA 0.644 58.836 58.200 -0.014 0.000 0.949 690 S CB -0.384 62.809 63.200 -0.012 0.000 0.766 690 S HN 0.512 nan 8.310 nan 0.000 0.517 691 R N 0.425 120.936 120.500 0.018 0.000 2.388 691 R HA 0.457 4.793 4.340 -0.007 0.000 0.247 691 R C 2.111 178.500 176.300 0.150 0.000 0.931 691 R CA 0.422 56.558 56.100 0.061 0.000 1.082 691 R CB -0.219 30.113 30.300 0.054 0.000 1.135 691 R HN 0.490 nan 8.270 nan 0.000 0.525 692 A N 1.402 124.261 122.820 0.064 0.000 1.917 692 A HA -0.285 4.031 4.320 -0.007 0.000 0.219 692 A C 2.036 179.689 177.584 0.114 0.000 1.182 692 A CA 1.969 54.015 52.037 0.015 0.000 0.633 692 A CB -0.270 18.672 19.000 -0.097 0.000 0.819 692 A HN 0.314 nan 8.150 nan 0.000 0.448 693 E N 0.777 121.024 120.200 0.078 0.000 2.160 693 E HA -0.171 4.175 4.350 -0.007 0.000 0.195 693 E C 1.601 178.256 176.600 0.091 0.000 0.991 693 E CA 1.659 58.102 56.400 0.071 0.000 0.810 693 E CB -0.325 29.400 29.700 0.042 0.000 0.742 693 E HN 0.641 nan 8.360 nan 0.000 0.466 694 N N -0.491 118.262 118.700 0.087 0.000 2.512 694 N HA -0.087 4.649 4.740 -0.007 0.000 0.183 694 N C 0.739 176.237 175.510 -0.021 0.000 1.073 694 N CA 0.462 53.520 53.050 0.014 0.000 0.911 694 N CB -0.128 38.325 38.487 -0.056 0.000 0.964 694 N HN 0.237 nan 8.380 nan 0.000 0.447 695 F N 1.720 121.621 119.950 -0.082 0.000 2.546 695 F HA 0.028 4.551 4.527 -0.007 0.000 0.298 695 F C 1.984 177.786 175.800 0.004 0.000 1.120 695 F CA 0.646 58.594 58.000 -0.088 0.000 1.456 695 F CB 0.017 38.906 39.000 -0.184 0.000 1.088 695 F HN -0.084 nan 8.300 nan 0.000 0.572 696 K N -0.040 120.458 120.400 0.163 0.000 2.360 696 K HA -0.174 4.142 4.320 -0.007 0.000 0.201 696 K C 1.422 178.076 176.600 0.091 0.000 1.046 696 K CA 0.987 57.348 56.287 0.124 0.000 0.945 696 K CB -0.220 32.335 32.500 0.092 0.000 0.750 696 K HN 0.441 nan 8.250 nan 0.000 0.464 697 Q N 0.382 120.214 119.800 0.053 0.000 2.360 697 Q HA 0.046 4.382 4.340 -0.007 0.000 0.202 697 Q C 0.191 176.219 176.000 0.046 0.000 0.915 697 Q CA 0.010 55.832 55.803 0.032 0.000 0.943 697 Q CB 0.695 29.431 28.738 -0.002 0.000 1.064 697 Q HN 0.128 nan 8.270 nan 0.000 0.511 698 V N -3.289 116.669 119.914 0.072 0.000 3.159 698 V HA 0.503 4.619 4.120 -0.007 0.000 0.308 698 V C -1.366 174.861 176.094 0.222 0.000 1.190 698 V CA -1.368 61.004 62.300 0.119 0.000 1.037 698 V CB 2.335 34.184 31.823 0.044 0.000 1.060 698 V HN -0.074 nan 8.190 nan 0.000 0.437 699 E N 1.392 121.758 120.200 0.278 0.000 2.146 699 E HA 0.526 4.872 4.350 -0.007 0.000 0.282 699 E C -1.798 175.169 176.600 0.612 0.000 0.989 699 E CA -0.316 56.322 56.400 0.395 0.000 0.799 699 E CB 1.650 31.517 29.700 0.278 0.000 1.088 699 E HN 0.676 nan 8.360 nan 0.000 0.397 700 Y N 3.504 124.067 120.300 0.437 0.000 2.376 700 Y HA 0.482 5.028 4.550 -0.007 0.000 0.340 700 Y C -1.709 174.283 175.900 0.152 0.000 0.965 700 Y CA -1.553 56.744 58.100 0.329 0.000 1.078 700 Y CB 1.012 39.712 38.460 0.400 0.000 1.193 700 Y HN 0.427 nan 8.280 nan 0.000 0.452 701 L N 7.678 128.592 121.223 -0.515 0.000 2.325 701 L HA 0.607 4.943 4.340 -0.007 0.000 0.281 701 L C -2.096 174.299 176.870 -0.791 0.000 1.004 701 L CA -0.781 53.624 54.840 -0.725 0.000 0.823 701 L CB 1.278 42.597 42.059 -1.233 0.000 1.236 701 L HN 0.650 nan 8.230 nan 0.000 0.415 702 L N 6.707 127.573 121.223 -0.595 0.000 2.313 702 L HA 0.700 5.036 4.340 -0.007 0.000 0.283 702 L C -1.142 175.601 176.870 -0.212 0.000 1.013 702 L CA -0.037 54.514 54.840 -0.481 0.000 0.816 702 L CB 1.209 43.040 42.059 -0.379 0.000 1.236 702 L HN 0.579 nan 8.230 nan 0.000 0.419 703 I N 4.519 124.972 120.570 -0.195 0.000 2.533 703 I HA 0.447 4.613 4.170 -0.007 0.000 0.290 703 I C -1.193 174.892 176.117 -0.053 0.000 1.056 703 I CA -0.684 60.552 61.300 -0.106 0.000 1.057 703 I CB 2.008 39.904 38.000 -0.174 0.000 1.240 703 I HN 0.674 nan 8.210 nan 0.000 0.423 704 H N 2.388 121.505 119.070 0.079 0.000 3.038 704 H HA 0.508 5.060 4.556 -0.006 0.000 0.362 704 H C -0.335 175.236 175.328 0.406 0.000 1.167 704 H CA -0.578 55.571 56.048 0.168 0.000 1.197 704 H CB 2.140 31.931 29.762 0.047 0.000 1.840 704 H HN 0.755 nan 8.280 nan 0.000 0.540 705 G N 0.960 110.115 108.800 0.590 0.000 2.353 705 G HA2 0.209 4.165 3.960 -0.007 0.000 0.284 705 G HA3 0.209 4.165 3.960 -0.007 0.000 0.284 705 G C 1.138 176.331 174.900 0.489 0.000 1.172 705 G CA 0.129 45.533 45.100 0.506 0.000 0.854 705 G HN 0.753 nan 8.290 nan 0.000 0.485 706 T N -0.497 114.187 114.554 0.217 0.000 2.995 706 T HA 0.061 4.407 4.350 -0.007 0.000 0.269 706 T C 1.740 176.415 174.700 -0.043 0.000 1.091 706 T CA 1.290 63.319 62.100 -0.118 0.000 1.128 706 T CB 0.137 68.857 68.868 -0.247 0.000 0.891 706 T HN 0.667 nan 8.240 nan 0.000 0.492 707 A N 1.126 124.000 122.820 0.091 0.000 2.684 707 A HA 0.313 4.629 4.320 -0.007 0.000 0.288 707 A C 0.391 177.946 177.584 -0.048 0.000 1.337 707 A CA -0.496 51.572 52.037 0.052 0.000 0.946 707 A CB -0.380 18.893 19.000 0.455 0.000 1.093 707 A HN 0.399 nan 8.150 nan 0.000 0.543 708 D N 1.337 121.723 120.400 -0.024 0.000 2.338 708 D HA 0.021 4.657 4.640 -0.007 0.000 0.255 708 D C 0.350 176.625 176.300 -0.043 0.000 1.237 708 D CA 0.065 54.151 54.000 0.142 0.000 0.883 708 D CB 0.763 41.810 40.800 0.411 0.000 1.087 708 D HN 0.553 nan 8.370 nan 0.000 0.485 709 D N 2.156 122.590 120.400 0.057 0.000 2.346 709 D HA -0.088 4.548 4.640 -0.007 0.000 0.206 709 D C 1.018 177.307 176.300 -0.018 0.000 1.001 709 D CA 0.039 54.021 54.000 -0.029 0.000 0.871 709 D CB 0.253 40.957 40.800 -0.161 0.000 0.943 709 D HN 0.422 nan 8.370 nan 0.000 0.518 710 N N 0.217 118.994 118.700 0.129 0.000 2.255 710 N HA -0.031 4.705 4.740 -0.007 0.000 0.192 710 N C -0.150 175.282 175.510 -0.130 0.000 1.049 710 N CA 0.291 53.441 53.050 0.166 0.000 0.886 710 N CB 0.657 39.219 38.487 0.125 0.000 1.064 710 N HN -0.182 nan 8.380 nan 0.000 0.457 711 V N 2.326 122.172 119.914 -0.113 0.000 2.320 711 V HA 0.189 4.305 4.120 -0.007 0.000 0.265 711 V C -0.865 175.299 176.094 0.118 0.000 1.048 711 V CA -0.308 61.984 62.300 -0.013 0.000 0.865 711 V CB -0.053 31.811 31.823 0.068 0.000 1.043 711 V HN 0.341 nan 8.190 nan 0.000 0.474 712 H N 3.300 122.350 119.070 -0.033 0.000 2.897 712 H HA 0.009 4.562 4.556 -0.006 0.000 0.347 712 H C 0.811 175.985 175.328 -0.256 0.000 1.068 712 H CA -0.133 55.812 56.048 -0.172 0.000 1.426 712 H CB 0.810 30.389 29.762 -0.304 0.000 1.410 712 H HN 0.625 nan 8.280 nan 0.000 0.597 713 F N 2.123 121.861 119.950 -0.355 0.000 2.147 713 F HA -0.343 4.180 4.527 -0.007 0.000 0.301 713 F C 2.619 178.132 175.800 -0.479 0.000 1.084 713 F CA 1.951 59.543 58.000 -0.681 0.000 1.268 713 F CB -0.218 38.571 39.000 -0.351 0.000 1.009 713 F HN 0.690 nan 8.300 nan 0.000 0.486 714 Q N 0.176 119.838 119.800 -0.230 0.000 2.124 714 Q HA -0.378 3.958 4.340 -0.007 0.000 0.215 714 Q C 2.138 177.908 176.000 -0.382 0.000 1.015 714 Q CA 2.744 58.365 55.803 -0.304 0.000 0.890 714 Q CB -0.464 28.074 28.738 -0.334 0.000 0.966 714 Q HN 0.623 nan 8.270 nan 0.000 0.412 715 Q N -0.519 119.100 119.800 -0.302 0.000 2.061 715 Q HA -0.137 4.199 4.340 -0.007 0.000 0.204 715 Q C 2.281 178.193 176.000 -0.146 0.000 0.984 715 Q CA 1.787 57.532 55.803 -0.097 0.000 0.846 715 Q CB -0.121 28.640 28.738 0.037 0.000 0.902 715 Q HN 0.348 nan 8.270 nan 0.000 0.421 716 S N 0.573 116.089 115.700 -0.308 0.000 2.414 716 S HA 0.001 4.467 4.470 -0.007 0.000 0.227 716 S C 2.023 176.399 174.600 -0.374 0.000 1.022 716 S CA 0.674 58.696 58.200 -0.296 0.000 0.958 716 S CB -0.069 62.965 63.200 -0.277 0.000 0.797 716 S HN 0.462 nan 8.310 nan 0.000 0.493 717 A N 1.395 123.902 122.820 -0.522 0.000 1.933 717 A HA -0.129 4.187 4.320 -0.007 0.000 0.218 717 A C 2.121 179.607 177.584 -0.164 0.000 1.175 717 A CA 1.122 52.968 52.037 -0.318 0.000 0.628 717 A CB -0.365 18.491 19.000 -0.242 0.000 0.814 717 A HN 0.366 nan 8.150 nan 0.000 0.444 718 Q N -0.520 119.191 119.800 -0.148 0.000 2.187 718 Q HA 0.027 4.363 4.340 -0.007 0.000 0.199 718 Q C 2.108 178.056 176.000 -0.087 0.000 0.957 718 Q CA 0.902 56.668 55.803 -0.062 0.000 0.857 718 Q CB -0.285 28.487 28.738 0.055 0.000 0.929 718 Q HN 0.782 nan 8.270 nan 0.000 0.453 719 I N 1.215 121.707 120.570 -0.130 0.000 2.142 719 I HA -0.289 3.877 4.170 -0.007 0.000 0.240 719 I C 2.586 178.535 176.117 -0.281 0.000 1.078 719 I CA 1.550 62.725 61.300 -0.210 0.000 1.343 719 I CB -0.479 37.401 38.000 -0.200 0.000 1.046 719 I HN 0.180 nan 8.210 nan 0.000 0.405 720 S N 0.908 116.482 115.700 -0.211 0.000 2.368 720 S HA -0.273 4.193 4.470 -0.007 0.000 0.225 720 S C 2.048 176.631 174.600 -0.028 0.000 1.030 720 S CA 1.437 59.562 58.200 -0.126 0.000 0.999 720 S CB -0.467 62.820 63.200 0.144 0.000 0.844 720 S HN 0.367 nan 8.310 nan 0.000 0.459 721 K N 1.693 122.074 120.400 -0.032 0.000 2.063 721 K HA -0.005 4.311 4.320 -0.007 0.000 0.208 721 K C 2.270 178.849 176.600 -0.034 0.000 1.048 721 K CA 1.229 57.510 56.287 -0.010 0.000 0.928 721 K CB -0.672 31.819 32.500 -0.015 0.000 0.713 721 K HN 0.469 nan 8.250 nan 0.000 0.442 722 A N 0.903 123.672 122.820 -0.086 0.000 1.930 722 A HA -0.078 4.238 4.320 -0.007 0.000 0.217 722 A C 2.066 179.578 177.584 -0.120 0.000 1.175 722 A CA 1.136 53.114 52.037 -0.097 0.000 0.627 722 A CB -0.500 18.426 19.000 -0.124 0.000 0.815 722 A HN 0.308 nan 8.150 nan 0.000 0.443 723 L N -0.650 120.450 121.223 -0.204 0.000 2.056 723 L HA -0.131 4.205 4.340 -0.007 0.000 0.207 723 L C 2.487 179.370 176.870 0.022 0.000 1.078 723 L CA 0.915 55.637 54.840 -0.196 0.000 0.749 723 L CB -0.558 41.183 42.059 -0.530 0.000 0.901 723 L HN 0.233 nan 8.230 nan 0.000 0.433 724 V N -0.256 119.712 119.914 0.089 0.000 2.427 724 V HA -0.269 3.847 4.120 -0.007 0.000 0.248 724 V C 1.979 178.111 176.094 0.063 0.000 1.051 724 V CA 1.760 64.135 62.300 0.125 0.000 1.048 724 V CB -0.482 31.418 31.823 0.127 0.000 0.666 724 V HN 0.414 nan 8.190 nan 0.000 0.456 725 D N 0.241 120.659 120.400 0.030 0.000 2.264 725 D HA -0.094 4.542 4.640 -0.007 0.000 0.208 725 D C 1.773 178.086 176.300 0.021 0.000 0.966 725 D CA 1.598 55.610 54.000 0.020 0.000 0.864 725 D CB 0.023 40.827 40.800 0.006 0.000 0.933 725 D HN 0.559 nan 8.370 nan 0.000 0.499 726 V N -4.018 115.909 119.914 0.021 0.000 3.578 726 V HA 0.498 4.614 4.120 -0.007 0.000 0.290 726 V C 1.239 177.361 176.094 0.047 0.000 1.376 726 V CA 0.282 62.599 62.300 0.028 0.000 1.083 726 V CB 0.020 31.855 31.823 0.020 0.000 0.911 726 V HN 0.121 nan 8.190 nan 0.000 0.433 727 G N 0.622 109.459 108.800 0.061 0.000 2.212 727 G HA2 -0.182 3.775 3.960 -0.007 0.000 0.255 727 G HA3 -0.182 3.775 3.960 -0.007 0.000 0.255 727 G C -0.097 174.866 174.900 0.105 0.000 1.062 727 G CA 0.136 45.282 45.100 0.077 0.000 0.815 727 G HN 0.814 nan 8.290 nan 0.000 0.497 728 V N 0.458 120.452 119.914 0.135 0.000 2.432 728 V HA 0.445 4.561 4.120 -0.007 0.000 0.275 728 V C 0.476 176.757 176.094 0.311 0.000 1.043 728 V CA -0.442 61.971 62.300 0.190 0.000 0.925 728 V CB 1.693 33.610 31.823 0.157 0.000 0.985 728 V HN 0.430 nan 8.190 nan 0.000 0.466 729 D N 4.183 124.743 120.400 0.267 0.000 2.256 729 D HA 0.590 5.226 4.640 -0.007 0.000 0.250 729 D C -0.534 176.009 176.300 0.405 0.000 1.093 729 D CA 0.125 54.277 54.000 0.253 0.000 0.882 729 D CB 0.687 41.566 40.800 0.131 0.000 1.185 729 D HN 0.383 nan 8.370 nan 0.000 0.437 730 F N -0.114 119.920 119.950 0.141 0.000 2.779 730 F HA 0.485 5.008 4.527 -0.007 0.000 0.316 730 F C -1.332 174.534 175.800 0.109 0.000 1.164 730 F CA -1.165 56.944 58.000 0.181 0.000 0.924 730 F CB 0.865 40.016 39.000 0.250 0.000 1.348 730 F HN 0.086 nan 8.300 nan 0.000 0.467 731 Q N 1.404 121.275 119.800 0.119 0.000 2.257 731 Q HA 0.798 5.134 4.340 -0.007 0.000 0.262 731 Q C -0.910 175.075 176.000 -0.024 0.000 0.997 731 Q CA -0.989 54.788 55.803 -0.043 0.000 0.873 731 Q CB 2.245 31.010 28.738 0.045 0.000 1.312 731 Q HN 0.993 nan 8.270 nan 0.000 0.450 732 A N 1.544 124.315 122.820 -0.081 0.000 2.479 732 A HA 0.851 5.167 4.320 -0.007 0.000 0.296 732 A C -1.256 176.268 177.584 -0.100 0.000 1.121 732 A CA -0.621 51.409 52.037 -0.012 0.000 0.743 732 A CB 1.982 21.034 19.000 0.087 0.000 1.323 732 A HN 0.629 nan 8.150 nan 0.000 0.415 733 M N 1.285 120.815 119.600 -0.117 0.000 2.265 733 M HA 0.519 4.995 4.480 -0.007 0.000 0.262 733 M C -1.880 174.319 176.300 -0.168 0.000 1.026 733 M CA -0.622 54.468 55.300 -0.349 0.000 0.987 733 M CB 1.088 33.373 32.600 -0.524 0.000 1.937 733 M HN 0.886 nan 8.290 nan 0.000 0.481 734 W N 4.534 125.709 121.300 -0.209 0.000 2.448 734 W HA 0.758 5.414 4.660 -0.007 0.000 0.339 734 W C -1.931 174.375 176.519 -0.355 0.000 1.124 734 W CA -0.731 56.573 57.345 -0.067 0.000 1.262 734 W CB 0.341 29.796 29.460 -0.007 0.000 1.251 734 W HN 0.614 nan 8.180 nan 0.000 0.597 735 Y N 2.537 122.959 120.300 0.204 0.000 2.447 735 Y HA 0.286 4.832 4.550 -0.006 0.000 0.325 735 Y C 0.455 176.462 175.900 0.178 0.000 0.976 735 Y CA -1.121 57.020 58.100 0.068 0.000 1.280 735 Y CB 1.250 39.727 38.460 0.028 0.000 1.104 735 Y HN 0.431 nan 8.280 nan 0.000 0.486 736 T N 4.493 119.218 114.554 0.284 0.000 2.822 736 T HA -0.027 4.319 4.350 -0.007 0.000 0.288 736 T C 0.202 174.989 174.700 0.144 0.000 0.991 736 T CA 0.658 62.875 62.100 0.195 0.000 1.176 736 T CB -0.091 68.829 68.868 0.087 0.000 0.951 736 T HN 0.711 nan 8.240 nan 0.000 0.526 737 D N 0.472 120.946 120.400 0.123 0.000 3.046 737 D HA -0.125 4.511 4.640 -0.007 0.000 0.210 737 D C 0.332 176.783 176.300 0.252 0.000 1.124 737 D CA 1.177 55.217 54.000 0.066 0.000 0.986 737 D CB -0.417 40.231 40.800 -0.253 0.000 1.118 737 D HN 0.565 nan 8.370 nan 0.000 0.416 738 E N 0.895 121.247 120.200 0.253 0.000 2.349 738 E HA 0.339 4.685 4.350 -0.007 0.000 0.265 738 E C 0.792 177.570 176.600 0.297 0.000 1.064 738 E CA -0.161 56.399 56.400 0.266 0.000 0.886 738 E CB 1.107 30.951 29.700 0.240 0.000 1.036 738 E HN 0.372 nan 8.360 nan 0.000 0.413 739 D N -0.630 119.953 120.400 0.305 0.000 2.570 739 D HA 0.016 4.652 4.640 -0.007 0.000 0.266 739 D C 1.062 177.583 176.300 0.369 0.000 1.182 739 D CA -0.175 54.028 54.000 0.339 0.000 1.088 739 D CB -0.252 40.773 40.800 0.375 0.000 1.186 739 D HN 0.398 nan 8.370 nan 0.000 0.618 740 H N -1.500 117.742 119.070 0.285 0.000 2.456 740 H HA 0.125 4.677 4.556 -0.007 0.000 0.296 740 H C 1.936 177.493 175.328 0.382 0.000 1.079 740 H CA 2.158 58.392 56.048 0.310 0.000 1.322 740 H CB -0.397 29.531 29.762 0.277 0.000 1.388 740 H HN 0.488 nan 8.280 nan 0.000 0.538 741 G N -0.172 108.786 108.800 0.263 0.000 2.572 741 G HA2 -0.039 3.917 3.960 -0.007 0.000 0.216 741 G HA3 -0.039 3.917 3.960 -0.007 0.000 0.216 741 G C 0.694 175.742 174.900 0.247 0.000 1.133 741 G CA 0.340 45.515 45.100 0.125 0.000 0.791 741 G HN 0.526 nan 8.290 nan 0.000 0.538 742 I N 0.062 120.806 120.570 0.290 0.000 5.115 742 I HA -0.334 3.832 4.170 -0.007 0.000 0.126 742 I C 1.682 177.903 176.117 0.174 0.000 1.316 742 I CA 0.092 61.513 61.300 0.203 0.000 2.641 742 I CB -1.120 36.963 38.000 0.138 0.000 2.272 742 I HN 0.257 nan 8.210 nan 0.000 0.321 743 A N 0.367 123.274 122.820 0.145 0.000 2.220 743 A HA 0.230 4.547 4.320 -0.007 0.000 0.211 743 A C 1.232 178.864 177.584 0.080 0.000 1.176 743 A CA 0.258 52.352 52.037 0.095 0.000 0.834 743 A CB 0.200 19.236 19.000 0.060 0.000 0.868 743 A HN 0.437 nan 8.150 nan 0.000 0.488 744 S N 0.124 115.885 115.700 0.102 0.000 2.554 744 S HA 0.058 4.524 4.470 -0.007 0.000 0.290 744 S C 1.597 176.255 174.600 0.095 0.000 1.309 744 S CA 0.470 58.726 58.200 0.092 0.000 1.047 744 S CB 0.963 64.222 63.200 0.099 0.000 0.828 744 S HN 0.568 nan 8.310 nan 0.000 0.509 745 S N 2.134 117.878 115.700 0.072 0.000 2.359 745 S HA -0.176 4.290 4.470 -0.007 0.000 0.223 745 S C 2.316 176.977 174.600 0.101 0.000 1.039 745 S CA 2.231 60.475 58.200 0.073 0.000 1.042 745 S CB -0.774 62.452 63.200 0.042 0.000 0.915 745 S HN 0.970 nan 8.310 nan 0.000 0.439 746 T N -0.110 114.494 114.554 0.083 0.000 2.777 746 T HA 0.137 4.483 4.350 -0.007 0.000 0.266 746 T C 1.950 176.712 174.700 0.102 0.000 1.040 746 T CA 1.372 63.524 62.100 0.086 0.000 1.141 746 T CB -0.909 68.001 68.868 0.069 0.000 0.868 746 T HN 0.425 nan 8.240 nan 0.000 0.444 747 A N 1.559 124.423 122.820 0.074 0.000 1.898 747 A HA -0.096 4.220 4.320 -0.007 0.000 0.216 747 A C 2.208 179.758 177.584 -0.057 0.000 1.181 747 A CA 2.090 54.113 52.037 -0.023 0.000 0.620 747 A CB -1.351 17.601 19.000 -0.079 0.000 0.819 747 A HN 0.781 nan 8.150 nan 0.000 0.442 748 H N -0.092 118.966 119.070 -0.019 0.000 2.319 748 H HA -0.191 4.361 4.556 -0.007 0.000 0.297 748 H C 2.100 177.497 175.328 0.114 0.000 1.097 748 H CA 2.479 58.566 56.048 0.065 0.000 1.285 748 H CB -0.243 29.554 29.762 0.058 0.000 1.368 748 H HN 0.593 nan 8.280 nan 0.000 0.495 749 Q N -1.074 118.714 119.800 -0.021 0.000 2.084 749 Q HA -0.188 4.148 4.340 -0.007 0.000 0.202 749 Q C 2.280 178.265 176.000 -0.026 0.000 0.978 749 Q CA 1.332 57.090 55.803 -0.076 0.000 0.844 749 Q CB -0.222 28.519 28.738 0.004 0.000 0.898 749 Q HN 0.649 nan 8.270 nan 0.000 0.426 750 H N 0.745 119.792 119.070 -0.039 0.000 2.353 750 H HA -0.087 4.465 4.556 -0.007 0.000 0.300 750 H C 2.066 177.406 175.328 0.019 0.000 1.090 750 H CA 1.364 57.431 56.048 0.032 0.000 1.327 750 H CB -0.034 29.809 29.762 0.136 0.000 1.383 750 H HN 0.277 nan 8.280 nan 0.000 0.508 751 I N 0.137 120.693 120.570 -0.024 0.000 2.179 751 I HA -0.337 3.829 4.170 -0.007 0.000 0.242 751 I C 1.855 177.737 176.117 -0.391 0.000 1.088 751 I CA 1.362 62.543 61.300 -0.198 0.000 1.357 751 I CB -0.294 37.409 38.000 -0.496 0.000 1.051 751 I HN 0.160 nan 8.210 nan 0.000 0.409 752 Y N 0.845 120.929 120.300 -0.359 0.000 2.293 752 Y HA -0.223 4.323 4.550 -0.007 0.000 0.291 752 Y C 2.693 178.394 175.900 -0.333 0.000 1.137 752 Y CA 1.891 59.671 58.100 -0.532 0.000 1.202 752 Y CB -0.757 37.396 38.460 -0.510 0.000 0.990 752 Y HN 0.177 nan 8.280 nan 0.000 0.537 753 T N -1.598 112.883 114.554 -0.121 0.000 2.708 753 T HA -0.260 4.086 4.350 -0.007 0.000 0.266 753 T C 1.536 176.133 174.700 -0.173 0.000 1.037 753 T CA 1.946 63.939 62.100 -0.178 0.000 1.146 753 T CB -0.538 68.227 68.868 -0.171 0.000 0.865 753 T HN 0.430 nan 8.240 nan 0.000 0.435 754 H N 0.753 119.709 119.070 -0.190 0.000 2.353 754 H HA 0.092 4.644 4.556 -0.007 0.000 0.300 754 H C 2.188 177.504 175.328 -0.021 0.000 1.090 754 H CA 1.543 57.550 56.048 -0.069 0.000 1.327 754 H CB -0.226 29.486 29.762 -0.083 0.000 1.383 754 H HN 0.255 nan 8.280 nan 0.000 0.508 755 M N -0.903 118.644 119.600 -0.088 0.000 2.175 755 M HA -0.147 4.329 4.480 -0.007 0.000 0.264 755 M C 2.424 178.831 176.300 0.178 0.000 1.063 755 M CA 1.367 56.607 55.300 -0.100 0.000 1.119 755 M CB 0.038 32.309 32.600 -0.549 0.000 1.377 755 M HN 0.207 nan 8.290 nan 0.000 0.415 756 S N -0.366 115.465 115.700 0.219 0.000 2.359 756 S HA -0.194 4.272 4.470 -0.007 0.000 0.224 756 S C 1.592 176.281 174.600 0.150 0.000 1.035 756 S CA 1.480 59.895 58.200 0.358 0.000 1.018 756 S CB -0.695 62.697 63.200 0.319 0.000 0.876 756 S HN 0.554 nan 8.310 nan 0.000 0.448 757 H N -0.511 118.615 119.070 0.094 0.000 2.319 757 H HA -0.087 4.466 4.556 -0.006 0.000 0.299 757 H C 1.949 177.270 175.328 -0.012 0.000 1.092 757 H CA 1.705 57.757 56.048 0.006 0.000 1.302 757 H CB -0.253 29.459 29.762 -0.084 0.000 1.373 757 H HN 0.379 nan 8.280 nan 0.000 0.497 758 F N 1.111 121.045 119.950 -0.028 0.000 2.095 758 F HA -0.246 4.277 4.527 -0.007 0.000 0.298 758 F C 2.039 177.793 175.800 -0.075 0.000 1.104 758 F CA 1.125 59.083 58.000 -0.070 0.000 1.232 758 F CB -0.212 38.733 39.000 -0.093 0.000 0.987 758 F HN 0.049 nan 8.300 nan 0.000 0.475 759 I N 0.737 121.316 120.570 0.015 0.000 2.179 759 I HA -0.286 3.881 4.170 -0.007 0.000 0.242 759 I C 2.286 178.194 176.117 -0.347 0.000 1.088 759 I CA 1.558 62.706 61.300 -0.253 0.000 1.357 759 I CB -1.396 36.548 38.000 -0.093 0.000 1.051 759 I HN 0.221 nan 8.210 nan 0.000 0.409 760 K N 0.272 120.612 120.400 -0.100 0.000 2.063 760 K HA -0.267 4.049 4.320 -0.007 0.000 0.208 760 K C 2.077 178.649 176.600 -0.047 0.000 1.048 760 K CA 1.654 57.932 56.287 -0.014 0.000 0.928 760 K CB -0.221 32.326 32.500 0.078 0.000 0.713 760 K HN 0.262 nan 8.250 nan 0.000 0.442 761 Q N 1.035 120.768 119.800 -0.110 0.000 2.050 761 Q HA -0.207 4.129 4.340 -0.007 0.000 0.202 761 Q C 2.202 178.089 176.000 -0.189 0.000 0.980 761 Q CA 1.968 57.687 55.803 -0.140 0.000 0.840 761 Q CB -0.591 28.041 28.738 -0.176 0.000 0.898 761 Q HN 0.400 nan 8.270 nan 0.000 0.424 762 c N -0.379 117.999 118.600 -0.370 0.000 2.425 762 c HA -0.052 4.514 4.570 -0.007 0.000 0.277 762 c C 1.712 175.806 174.090 0.007 0.000 1.280 762 c CA 0.533 56.666 56.329 -0.326 0.000 1.744 762 c CB -1.245 40.907 42.510 -0.598 0.000 1.989 762 c HN 0.642 nan 8.230 nan 0.000 0.491 763 F N 1.586 121.500 119.950 -0.060 0.000 2.693 763 F HA 0.270 4.793 4.527 -0.007 0.000 0.303 763 F C 1.595 177.382 175.800 -0.023 0.000 1.097 763 F CA 0.206 58.191 58.000 -0.024 0.000 1.330 763 F CB -1.297 37.700 39.000 -0.006 0.000 1.067 763 F HN 0.181 nan 8.300 nan 0.000 0.565 764 S N 0.971 116.748 115.700 0.128 0.000 3.614 764 S HA -0.203 4.264 4.470 -0.007 0.000 0.360 764 S C 0.047 174.689 174.600 0.070 0.000 1.023 764 S CA 0.124 58.365 58.200 0.068 0.000 1.114 764 S CB -1.997 61.234 63.200 0.052 0.000 0.907 764 S HN 0.246 nan 8.310 nan 0.000 0.470 765 L N 1.954 123.228 121.223 0.085 0.000 2.289 765 L HA 0.466 4.802 4.340 -0.007 0.000 0.285 765 L C -1.101 175.808 176.870 0.065 0.000 1.049 765 L CA -1.936 52.952 54.840 0.080 0.000 0.804 765 L CB 0.574 42.697 42.059 0.106 0.000 1.195 765 L HN 0.076 nan 8.230 nan 0.000 0.428 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.132 63.100 0.054 0.000 0.800 766 P CB 0.000 31.725 31.700 0.042 0.000 0.726