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 2rhs_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLISNEWLKD YVDAGVKVED LAERITRTGI EVDNMIDYSK DIKNLVVGYI DATA SEQUENCE QSKEKXXXXX XXNICQVDIG EEEPVQIVCG APNVDAGQHV IVAKVGGRLP DATA SEQUENCE GGIKIKRAKX XXERSEGMIC SLQEIGISSN VVPKAYENGI FVFPTEVEPG DATA SEQUENCE TDALTALYLN DQVMEFDLTP NRADALSMVG TAYEVAALYQ TEMTKPETQS DATA SEQUENCE NETSESATNE LSVTIDNPEK VPYYSARVVK NVSIEPSPIW VQARLIKAGI DATA SEQUENCE RPINNVVDIS NYVLLEYGQP LHMFDQDHIG SKEIVVRQAK DEETMTTLDN DATA SEQUENCE NERKLVDTDI VISNGQEPIA LAGVMGGDFS EVTEQTTNVV IEGAIFDPVS DATA SEQUENCE IRHTSRRLNL RSEASSRFEK GIATEFVDEA VDRACYLLQE LASGEVLQDR DATA SEQUENCE VSSGDLGSFV TPIDITAEKV NKTIGFNLSN DEIQSIFRQL GFETTLKGET DATA SEQUENCE LTVNVPSRRK DITIKEDLIE EVARIYGYDE IPSSLPVFGE VTSGELTDRQ DATA SEQUENCE HKTRTLKETL EGAGLNQAIT YSLVSKDHAK DFALQERPTI SLLMPMSEAH DATA SEQUENCE ATLRQSLLPH LIEATAYNVA RKNKDVRLYE IGRVFFGNGE GELPDEVEYL DATA SEQUENCE SGILTGEYVV NAWQGKKEEI DFFIAKGVVD RVAEKLNLEF SYKAGKIEGL DATA SEQUENCE HPGRTAIVSL GGAGIGFIGE LHPQVAADND LKRTYVFELN YDAMMQVAVG DATA SEQUENCE YINYEQIPKF PGVTRDIALE VNHDVPSSEL KQIIHNNGED ILQSTLVFDV DATA SEQUENCE YEGEHLEKGK KSVAIRLNYL DXXXXLTDER VSKIHDKILE ALQAQGATIR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.192 176.300 -0.181 0.000 1.140 1 M CA 0.000 55.265 55.300 -0.058 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.027 0.000 1.302 2 L N 5.633 126.758 121.223 -0.164 0.000 2.257 2 L HA 0.594 4.933 4.340 -0.000 0.000 0.290 2 L C -0.574 176.136 176.870 -0.266 0.000 1.044 2 L CA -0.513 54.217 54.840 -0.183 0.000 0.810 2 L CB 0.848 42.882 42.059 -0.042 0.000 1.193 2 L HN 0.536 nan 8.230 nan 0.000 0.425 3 I N 2.703 123.039 120.570 -0.391 0.000 2.337 3 I HA 0.125 4.295 4.170 -0.000 0.000 0.285 3 I C 0.608 176.622 176.117 -0.173 0.000 1.041 3 I CA 0.050 61.114 61.300 -0.394 0.000 1.199 3 I CB 1.363 38.974 38.000 -0.650 0.000 1.370 3 I HN 0.568 nan 8.210 nan 0.000 0.470 4 S N 4.679 120.352 115.700 -0.046 0.000 2.533 4 S HA 0.003 4.473 4.470 -0.000 0.000 0.282 4 S C 1.170 175.810 174.600 0.066 0.000 1.304 4 S CA -0.006 58.251 58.200 0.095 0.000 1.063 4 S CB 0.515 63.898 63.200 0.306 0.000 0.881 4 S HN 0.669 nan 8.310 nan 0.000 0.493 5 N N 3.371 122.112 118.700 0.068 0.000 2.148 5 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 5 N C 1.705 177.258 175.510 0.071 0.000 1.031 5 N CA 1.495 54.572 53.050 0.045 0.000 0.848 5 N CB -0.377 38.131 38.487 0.034 0.000 1.005 5 N HN 0.774 nan 8.380 nan 0.000 0.427 6 E N 0.256 120.514 120.200 0.097 0.000 2.035 6 E HA -0.252 4.097 4.350 -0.000 0.000 0.204 6 E C 1.631 178.366 176.600 0.225 0.000 1.025 6 E CA 1.444 57.915 56.400 0.118 0.000 0.835 6 E CB -0.893 28.875 29.700 0.114 0.000 0.764 6 E HN 0.569 nan 8.360 nan 0.000 0.457 7 W N 1.749 123.086 121.300 0.062 0.000 2.342 7 W HA -0.205 4.454 4.660 -0.001 0.000 0.297 7 W C 2.334 178.900 176.519 0.078 0.000 1.213 7 W CA 1.745 59.142 57.345 0.087 0.000 1.251 7 W CB -1.082 28.443 29.460 0.109 0.000 1.136 7 W HN 0.266 nan 8.180 nan 0.000 0.526 8 L N 1.908 123.233 121.223 0.172 0.000 2.131 8 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 8 L C 2.316 179.243 176.870 0.095 0.000 1.092 8 L CA 2.014 56.908 54.840 0.090 0.000 0.759 8 L CB -0.832 41.223 42.059 -0.008 0.000 0.903 8 L HN -0.157 nan 8.230 nan 0.000 0.435 9 K N -0.428 120.000 120.400 0.046 0.000 2.442 9 K HA -0.176 4.144 4.320 -0.000 0.000 0.199 9 K C 1.352 177.898 176.600 -0.090 0.000 1.044 9 K CA 1.075 57.351 56.287 -0.018 0.000 0.941 9 K CB -0.244 32.243 32.500 -0.021 0.000 0.759 9 K HN 0.388 nan 8.250 nan 0.000 0.472 10 D N -0.428 119.862 120.400 -0.183 0.000 2.264 10 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 10 D C 0.958 176.913 176.300 -0.575 0.000 0.966 10 D CA 1.231 54.968 54.000 -0.437 0.000 0.864 10 D CB 0.109 40.517 40.800 -0.654 0.000 0.933 10 D HN 0.351 nan 8.370 nan 0.000 0.499 11 Y N -1.444 118.835 120.300 -0.035 0.000 2.467 11 Y HA 0.406 4.955 4.550 -0.000 0.000 0.259 11 Y C 0.311 176.145 175.900 -0.109 0.000 1.084 11 Y CA -0.324 57.721 58.100 -0.092 0.000 1.275 11 Y CB 1.309 39.675 38.460 -0.157 0.000 1.208 11 Y HN -0.289 nan 8.280 nan 0.000 0.511 12 V N 0.470 120.399 119.914 0.025 0.000 2.903 12 V HA 0.271 4.390 4.120 -0.000 0.000 0.289 12 V C -2.186 173.884 176.094 -0.040 0.000 1.355 12 V CA -0.828 61.464 62.300 -0.014 0.000 0.953 12 V CB 2.148 33.964 31.823 -0.012 0.000 1.102 12 V HN 0.102 nan 8.190 nan 0.000 0.435 13 D N 4.595 124.960 120.400 -0.058 0.000 2.414 13 D HA 0.724 5.363 4.640 -0.000 0.000 0.232 13 D C 0.772 176.990 176.300 -0.136 0.000 1.070 13 D CA 0.376 54.325 54.000 -0.085 0.000 0.839 13 D CB 2.148 42.906 40.800 -0.069 0.000 1.079 13 D HN 0.713 nan 8.370 nan 0.000 0.521 14 A N 3.194 125.873 122.820 -0.236 0.000 1.930 14 A HA 0.301 4.620 4.320 -0.000 0.000 0.217 14 A C 1.635 179.008 177.584 -0.352 0.000 1.175 14 A CA 0.941 52.680 52.037 -0.496 0.000 0.627 14 A CB -0.851 17.661 19.000 -0.814 0.000 0.815 14 A HN 1.289 nan 8.150 nan 0.000 0.443 15 G N -1.732 106.942 108.800 -0.210 0.000 2.401 15 G HA2 0.089 4.049 3.960 -0.000 0.000 0.283 15 G HA3 0.089 4.049 3.960 -0.000 0.000 0.283 15 G C -0.339 174.494 174.900 -0.112 0.000 1.117 15 G CA 0.245 45.274 45.100 -0.119 0.000 1.051 15 G HN 1.360 nan 8.290 nan 0.000 0.510 16 V N -0.055 119.784 119.914 -0.125 0.000 3.177 16 V HA 0.451 4.571 4.120 -0.000 0.000 0.287 16 V C -0.074 175.981 176.094 -0.065 0.000 1.465 16 V CA -1.357 60.886 62.300 -0.095 0.000 1.020 16 V CB 2.062 33.771 31.823 -0.189 0.000 1.152 16 V HN 0.417 nan 8.190 nan 0.000 0.448 17 K N 1.307 121.693 120.400 -0.024 0.000 2.270 17 K HA 0.308 4.628 4.320 -0.000 0.000 0.276 17 K C 0.854 177.451 176.600 -0.004 0.000 1.023 17 K CA 0.029 56.309 56.287 -0.012 0.000 0.955 17 K CB 1.729 34.230 32.500 0.002 0.000 0.975 17 K HN 0.538 nan 8.250 nan 0.000 0.471 18 V N 3.639 123.552 119.914 -0.000 0.000 2.370 18 V HA -0.328 3.791 4.120 -0.000 0.000 0.252 18 V C 1.390 177.503 176.094 0.031 0.000 1.068 18 V CA 2.210 64.518 62.300 0.014 0.000 1.061 18 V CB -0.204 31.632 31.823 0.022 0.000 0.656 18 V HN 0.766 nan 8.190 nan 0.000 0.455 19 E N 0.243 120.460 120.200 0.028 0.000 2.106 19 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 19 E C 1.869 178.495 176.600 0.044 0.000 0.984 19 E CA 1.519 57.939 56.400 0.034 0.000 0.806 19 E CB -0.427 29.287 29.700 0.024 0.000 0.750 19 E HN 0.746 nan 8.360 nan 0.000 0.458 20 D N 0.717 121.145 120.400 0.046 0.000 2.117 20 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 20 D C 1.983 178.351 176.300 0.114 0.000 0.987 20 D CA 0.607 54.650 54.000 0.072 0.000 0.829 20 D CB -0.453 40.393 40.800 0.078 0.000 0.961 20 D HN 0.104 nan 8.370 nan 0.000 0.460 21 L N 1.229 122.513 121.223 0.102 0.000 2.042 21 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 21 L C 2.186 179.144 176.870 0.147 0.000 1.076 21 L CA 1.788 56.713 54.840 0.141 0.000 0.749 21 L CB -0.849 41.237 42.059 0.046 0.000 0.893 21 L HN 0.019 nan 8.230 nan 0.000 0.432 22 A N -1.197 121.688 122.820 0.108 0.000 1.929 22 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 22 A C 2.230 179.855 177.584 0.067 0.000 1.176 22 A CA 1.315 53.416 52.037 0.108 0.000 0.628 22 A CB -0.565 18.495 19.000 0.099 0.000 0.816 22 A HN 0.517 nan 8.150 nan 0.000 0.444 23 E N 0.165 120.398 120.200 0.055 0.000 2.051 23 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 23 E C 2.179 178.784 176.600 0.007 0.000 0.991 23 E CA 1.725 58.140 56.400 0.025 0.000 0.799 23 E CB -0.199 29.514 29.700 0.022 0.000 0.748 23 E HN 0.563 nan 8.360 nan 0.000 0.449 24 R N -0.076 120.444 120.500 0.032 0.000 2.092 24 R HA -0.079 4.261 4.340 -0.000 0.000 0.231 24 R C 2.270 178.550 176.300 -0.034 0.000 1.119 24 R CA 1.546 57.638 56.100 -0.013 0.000 0.970 24 R CB -0.340 29.948 30.300 -0.019 0.000 0.864 24 R HN 0.256 nan 8.270 nan 0.000 0.440 25 I N 0.063 120.637 120.570 0.007 0.000 2.179 25 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 25 I C 2.125 178.166 176.117 -0.126 0.000 1.088 25 I CA 1.720 62.980 61.300 -0.068 0.000 1.357 25 I CB -0.450 37.500 38.000 -0.084 0.000 1.051 25 I HN 0.216 nan 8.210 nan 0.000 0.409 26 T N 0.024 114.527 114.554 -0.085 0.000 2.746 26 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 26 T C 1.990 176.627 174.700 -0.105 0.000 1.039 26 T CA 1.286 63.331 62.100 -0.092 0.000 1.142 26 T CB -0.230 68.615 68.868 -0.038 0.000 0.866 26 T HN 0.185 nan 8.240 nan 0.000 0.444 27 R N 0.958 121.404 120.500 -0.090 0.000 2.328 27 R HA -0.002 4.337 4.340 -0.000 0.000 0.207 27 R C 1.951 178.153 176.300 -0.163 0.000 1.056 27 R CA 1.255 57.289 56.100 -0.108 0.000 1.016 27 R CB -0.014 30.240 30.300 -0.077 0.000 0.872 27 R HN 0.486 nan 8.270 nan 0.000 0.471 28 T N -5.562 108.890 114.554 -0.171 0.000 3.084 28 T HA 0.352 4.702 4.350 -0.000 0.000 0.270 28 T C 1.021 175.590 174.700 -0.218 0.000 1.008 28 T CA 0.179 62.160 62.100 -0.197 0.000 0.900 28 T CB 1.422 70.201 68.868 -0.149 0.000 1.084 28 T HN 0.199 nan 8.240 nan 0.000 0.538 29 G N 1.226 109.893 108.800 -0.220 0.000 2.234 29 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.153 29 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.153 29 G C -0.260 174.521 174.900 -0.199 0.000 1.013 29 G CA -0.594 44.378 45.100 -0.214 0.000 0.712 29 G HN 0.545 nan 8.290 nan 0.000 0.491 30 I N 1.834 122.254 120.570 -0.251 0.000 2.420 30 I HA 0.293 4.463 4.170 -0.000 0.000 0.282 30 I C 0.207 176.142 176.117 -0.304 0.000 1.019 30 I CA -0.629 60.465 61.300 -0.344 0.000 1.130 30 I CB 1.772 39.393 38.000 -0.631 0.000 1.262 30 I HN 0.209 nan 8.210 nan 0.000 0.454 31 E N 6.547 126.642 120.200 -0.176 0.000 2.220 31 E HA 0.152 4.501 4.350 -0.000 0.000 0.272 31 E C -0.937 175.651 176.600 -0.019 0.000 1.099 31 E CA -0.394 55.954 56.400 -0.087 0.000 0.907 31 E CB 0.806 30.483 29.700 -0.039 0.000 1.022 31 E HN 0.339 nan 8.360 nan 0.000 0.428 32 V N 6.211 126.137 119.914 0.020 0.000 2.405 32 V HA 0.005 4.124 4.120 -0.000 0.000 0.264 32 V C 0.534 176.688 176.094 0.099 0.000 1.048 32 V CA 0.129 62.525 62.300 0.160 0.000 0.966 32 V CB 0.749 32.691 31.823 0.198 0.000 1.015 32 V HN 0.796 nan 8.190 nan 0.000 0.477 33 D N 2.833 123.294 120.400 0.103 0.000 2.392 33 D HA 0.094 4.734 4.640 -0.000 0.000 0.206 33 D C 0.531 176.860 176.300 0.048 0.000 1.046 33 D CA 0.176 54.212 54.000 0.059 0.000 0.865 33 D CB 0.324 41.155 40.800 0.052 0.000 0.969 33 D HN 0.471 nan 8.370 nan 0.000 0.509 34 N N -0.975 117.759 118.700 0.056 0.000 2.494 34 N HA 0.503 5.243 4.740 -0.000 0.000 0.270 34 N C -2.143 173.387 175.510 0.034 0.000 1.285 34 N CA -0.742 52.329 53.050 0.034 0.000 0.812 34 N CB 1.900 40.398 38.487 0.018 0.000 1.557 34 N HN 0.013 nan 8.380 nan 0.000 0.487 35 M N 2.463 122.074 119.600 0.018 0.000 2.093 35 M HA 0.565 5.045 4.480 -0.000 0.000 0.297 35 M C -1.718 174.577 176.300 -0.009 0.000 0.938 35 M CA -0.353 54.957 55.300 0.016 0.000 0.920 35 M CB 0.799 33.412 32.600 0.022 0.000 1.517 35 M HN 0.448 nan 8.290 nan 0.000 0.427 36 I N 4.138 124.702 120.570 -0.011 0.000 2.371 36 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 36 I C -0.255 175.821 176.117 -0.069 0.000 1.028 36 I CA 0.022 61.270 61.300 -0.086 0.000 1.345 36 I CB 0.844 38.772 38.000 -0.120 0.000 1.407 36 I HN 0.523 nan 8.210 nan 0.000 0.501 37 D N 5.416 125.733 120.400 -0.138 0.000 2.460 37 D HA 0.178 4.817 4.640 -0.000 0.000 0.232 37 D C 0.242 176.474 176.300 -0.113 0.000 1.079 37 D CA -0.335 53.632 54.000 -0.056 0.000 0.864 37 D CB 0.500 41.283 40.800 -0.028 0.000 1.048 37 D HN 0.370 nan 8.370 nan 0.000 0.523 38 Y N 1.230 121.533 120.300 0.005 0.000 2.578 38 Y HA -0.063 4.487 4.550 -0.001 0.000 0.297 38 Y C 2.347 178.244 175.900 -0.006 0.000 1.176 38 Y CA 0.687 58.788 58.100 0.000 0.000 1.315 38 Y CB 0.274 38.738 38.460 0.006 0.000 1.031 38 Y HN 0.379 nan 8.280 nan 0.000 0.524 39 S N -0.427 115.333 115.700 0.099 0.000 2.535 39 S HA 0.021 4.490 4.470 -0.000 0.000 0.214 39 S C 0.667 175.276 174.600 0.016 0.000 0.980 39 S CA -0.640 57.590 58.200 0.050 0.000 0.907 39 S CB -0.255 62.971 63.200 0.042 0.000 0.790 39 S HN 0.254 nan 8.310 nan 0.000 0.510 40 K N 1.972 122.368 120.400 -0.007 0.000 2.453 40 K HA 0.017 4.337 4.320 -0.000 0.000 0.280 40 K C -0.524 176.065 176.600 -0.018 0.000 1.045 40 K CA 0.963 57.238 56.287 -0.021 0.000 1.059 40 K CB -0.494 31.977 32.500 -0.048 0.000 0.901 40 K HN 0.113 nan 8.250 nan 0.000 0.475 41 D N 2.079 122.473 120.400 -0.010 0.000 3.091 41 D HA -0.157 4.482 4.640 -0.000 0.000 0.216 41 D C -1.197 175.101 176.300 -0.002 0.000 1.129 41 D CA 1.180 55.175 54.000 -0.008 0.000 0.913 41 D CB -1.101 39.691 40.800 -0.014 0.000 1.101 41 D HN 0.570 nan 8.370 nan 0.000 0.426 42 I N 0.332 120.903 120.570 0.002 0.000 2.466 42 I HA 0.425 4.594 4.170 -0.000 0.000 0.289 42 I C 0.063 176.185 176.117 0.008 0.000 1.026 42 I CA -0.661 60.643 61.300 0.007 0.000 1.078 42 I CB 1.771 39.778 38.000 0.012 0.000 1.249 42 I HN -0.081 nan 8.210 nan 0.000 0.429 43 K N 3.035 123.440 120.400 0.009 0.000 2.533 43 K HA 0.584 4.904 4.320 -0.000 0.000 0.272 43 K C -0.480 176.127 176.600 0.012 0.000 0.985 43 K CA -0.919 55.374 56.287 0.010 0.000 0.876 43 K CB 1.178 33.682 32.500 0.007 0.000 1.452 43 K HN 0.349 nan 8.250 nan 0.000 0.439 44 N N -0.513 118.195 118.700 0.013 0.000 2.716 44 N HA -0.208 4.532 4.740 -0.000 0.000 0.250 44 N C -1.533 173.991 175.510 0.023 0.000 1.033 44 N CA 0.697 53.757 53.050 0.017 0.000 0.727 44 N CB -1.040 37.456 38.487 0.015 0.000 0.950 44 N HN 0.537 nan 8.380 nan 0.000 0.541 45 L N 0.304 121.543 121.223 0.026 0.000 2.265 45 L HA 0.664 5.004 4.340 -0.000 0.000 0.289 45 L C -0.089 176.809 176.870 0.048 0.000 1.033 45 L CA -0.765 54.097 54.840 0.037 0.000 0.814 45 L CB 1.289 43.367 42.059 0.031 0.000 1.203 45 L HN 0.086 nan 8.230 nan 0.000 0.423 46 V N 2.395 122.348 119.914 0.065 0.000 3.159 46 V HA 0.619 4.738 4.120 -0.000 0.000 0.308 46 V C -0.455 175.708 176.094 0.114 0.000 1.190 46 V CA -1.072 61.270 62.300 0.070 0.000 1.037 46 V CB 1.707 33.559 31.823 0.047 0.000 1.060 46 V HN 0.273 nan 8.190 nan 0.000 0.437 47 V N 1.821 121.800 119.914 0.108 0.000 2.655 47 V HA 0.590 4.710 4.120 -0.000 0.000 0.300 47 V C 1.107 177.278 176.094 0.129 0.000 1.044 47 V CA 1.207 63.593 62.300 0.143 0.000 1.095 47 V CB 0.540 32.372 31.823 0.015 0.000 0.952 47 V HN 1.319 nan 8.190 nan 0.000 0.485 48 G N 2.857 111.753 108.800 0.160 0.000 2.482 48 G HA2 0.532 4.492 3.960 -0.000 0.000 0.317 48 G HA3 0.532 4.492 3.960 -0.000 0.000 0.317 48 G C -1.702 173.239 174.900 0.068 0.000 1.241 48 G CA -0.579 44.582 45.100 0.102 0.000 0.967 48 G HN 0.570 nan 8.290 nan 0.000 0.482 49 Y N 2.196 122.412 120.300 -0.140 0.000 2.313 49 Y HA 0.528 5.077 4.550 -0.000 0.000 0.332 49 Y C 0.442 176.255 175.900 -0.145 0.000 1.071 49 Y CA -1.103 56.816 58.100 -0.303 0.000 1.169 49 Y CB 0.936 39.179 38.460 -0.362 0.000 1.192 49 Y HN 0.326 nan 8.280 nan 0.000 0.487 50 I N 7.790 127.941 120.570 -0.698 0.000 2.308 50 I HA 0.042 4.211 4.170 -0.000 0.000 0.293 50 I C 0.805 176.548 176.117 -0.623 0.000 1.078 50 I CA -0.086 60.922 61.300 -0.487 0.000 1.292 50 I CB 1.181 38.985 38.000 -0.326 0.000 1.423 50 I HN 0.788 nan 8.210 nan 0.000 0.493 51 Q N 4.416 124.109 119.800 -0.178 0.000 2.020 51 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 51 Q C 0.475 176.464 176.000 -0.017 0.000 0.982 51 Q CA 1.180 57.010 55.803 0.045 0.000 0.838 51 Q CB -0.001 28.806 28.738 0.115 0.000 0.899 51 Q HN 0.834 nan 8.270 nan 0.000 0.423 52 S N -0.849 114.826 115.700 -0.042 0.000 2.611 52 S HA 0.624 5.094 4.470 -0.000 0.000 0.268 52 S C -1.334 173.246 174.600 -0.033 0.000 1.156 52 S CA -1.121 57.063 58.200 -0.027 0.000 0.817 52 S CB 2.684 65.884 63.200 -0.000 0.000 1.122 52 S HN 0.172 nan 8.310 nan 0.000 0.466 53 K N 0.569 120.955 120.400 -0.025 0.000 2.606 53 K HA 0.359 4.679 4.320 -0.000 0.000 0.259 53 K C -2.002 174.589 176.600 -0.015 0.000 1.001 53 K CA -0.218 56.055 56.287 -0.025 0.000 0.881 53 K CB 1.228 33.707 32.500 -0.035 0.000 1.288 53 K HN 0.748 nan 8.250 nan 0.000 0.452 54 E N 3.545 123.738 120.200 -0.011 0.000 2.314 54 E HA 0.298 4.647 4.350 -0.000 0.000 0.272 54 E C -0.703 175.893 176.600 -0.007 0.000 0.884 54 E CA -0.916 55.480 56.400 -0.007 0.000 0.753 54 E CB 2.199 31.896 29.700 -0.004 0.000 1.213 54 E HN 0.518 nan 8.360 nan 0.000 0.432 64 I N 1.024 121.589 120.570 -0.008 0.000 2.312 64 I HA 0.376 4.546 4.170 -0.000 0.000 0.290 64 I C -0.501 175.609 176.117 -0.012 0.000 1.008 64 I CA -0.316 60.980 61.300 -0.008 0.000 1.226 64 I CB 0.184 38.181 38.000 -0.005 0.000 1.371 64 I HN 0.550 nan 8.210 nan 0.000 0.468 65 C N 5.753 125.045 119.300 -0.013 0.000 2.319 65 C HA 0.376 4.836 4.460 -0.000 0.000 0.323 65 C C 0.156 175.136 174.990 -0.016 0.000 1.277 65 C CA -0.879 58.126 59.018 -0.023 0.000 1.517 65 C CB 1.325 29.047 27.740 -0.030 0.000 2.206 65 C HN 0.565 nan 8.230 nan 0.000 0.486 66 Q N 2.307 122.097 119.800 -0.017 0.000 2.296 66 Q HA 0.495 4.835 4.340 -0.000 0.000 0.257 66 Q C -0.670 175.328 176.000 -0.004 0.000 0.942 66 Q CA -0.060 55.741 55.803 -0.003 0.000 0.939 66 Q CB 1.525 30.267 28.738 0.008 0.000 1.198 66 Q HN 0.613 nan 8.270 nan 0.000 0.429 67 V N 2.351 122.269 119.914 0.007 0.000 2.443 67 V HA 0.102 4.222 4.120 -0.000 0.000 0.293 67 V C -0.195 175.922 176.094 0.039 0.000 1.021 67 V CA -1.092 61.216 62.300 0.012 0.000 0.848 67 V CB 1.812 33.637 31.823 0.004 0.000 0.998 67 V HN 0.596 nan 8.190 nan 0.000 0.424 68 D N 5.119 125.563 120.400 0.073 0.000 2.349 68 D HA 0.044 4.683 4.640 -0.000 0.000 0.266 68 D C 0.945 177.282 176.300 0.061 0.000 1.293 68 D CA -0.092 53.950 54.000 0.070 0.000 0.926 68 D CB 0.723 41.580 40.800 0.095 0.000 1.090 68 D HN 0.659 nan 8.370 nan 0.000 0.502 69 I N 1.132 121.729 120.570 0.044 0.000 3.858 69 I HA 0.347 4.517 4.170 -0.000 0.000 0.325 69 I C 1.031 177.168 176.117 0.034 0.000 1.403 69 I CA -0.030 61.296 61.300 0.043 0.000 1.169 69 I CB -0.387 37.635 38.000 0.037 0.000 1.077 69 I HN 0.504 nan 8.210 nan 0.000 0.403 70 G N 1.355 110.173 108.800 0.029 0.000 2.162 70 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.260 70 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.260 70 G C -0.004 174.904 174.900 0.013 0.000 0.976 70 G CA 0.423 45.534 45.100 0.018 0.000 0.655 70 G HN 0.649 nan 8.290 nan 0.000 0.533 71 E N -0.516 119.693 120.200 0.015 0.000 2.267 71 E HA 0.412 4.762 4.350 -0.000 0.000 0.258 71 E C 0.841 177.447 176.600 0.009 0.000 1.074 71 E CA -0.807 55.599 56.400 0.011 0.000 0.915 71 E CB 0.504 30.211 29.700 0.012 0.000 1.186 71 E HN 0.062 nan 8.360 nan 0.000 0.439 72 E N 0.864 121.068 120.200 0.007 0.000 2.396 72 E HA -0.136 4.214 4.350 -0.000 0.000 0.200 72 E C -0.250 176.354 176.600 0.007 0.000 1.023 72 E CA 1.179 57.582 56.400 0.005 0.000 0.857 72 E CB -0.006 29.696 29.700 0.004 0.000 0.775 72 E HN 0.418 nan 8.360 nan 0.000 0.525 73 E N -0.380 119.826 120.200 0.010 0.000 2.449 73 E HA 0.425 4.774 4.350 -0.000 0.000 0.278 73 E C -2.757 173.853 176.600 0.017 0.000 0.992 73 E CA -2.178 54.229 56.400 0.012 0.000 0.807 73 E CB 1.358 31.064 29.700 0.010 0.000 1.350 73 E HN -0.200 nan 8.360 nan 0.000 0.462 74 P HA 0.110 nan 4.420 nan 0.000 0.278 74 P C -0.081 177.229 177.300 0.017 0.000 1.238 74 P CA -0.483 62.630 63.100 0.023 0.000 0.794 74 P CB 1.045 32.761 31.700 0.027 0.000 0.955 75 V N -0.129 119.795 119.914 0.017 0.000 2.716 75 V HA 0.420 4.540 4.120 -0.000 0.000 0.304 75 V C 0.110 176.210 176.094 0.010 0.000 1.053 75 V CA -0.850 61.458 62.300 0.013 0.000 0.984 75 V CB 0.897 32.729 31.823 0.015 0.000 1.021 75 V HN 0.540 nan 8.190 nan 0.000 0.467 76 Q N 1.750 121.555 119.800 0.008 0.000 2.259 76 Q HA 0.706 5.046 4.340 -0.000 0.000 0.249 76 Q C -1.227 174.776 176.000 0.005 0.000 0.914 76 Q CA -0.507 55.299 55.803 0.005 0.000 0.904 76 Q CB 1.464 30.205 28.738 0.004 0.000 1.213 76 Q HN 0.830 nan 8.270 nan 0.000 0.428 77 I N 2.653 123.225 120.570 0.002 0.000 2.656 77 I HA 0.291 4.461 4.170 -0.000 0.000 0.292 77 I C -1.010 175.108 176.117 0.000 0.000 1.144 77 I CA -1.006 60.296 61.300 0.003 0.000 1.038 77 I CB 2.280 40.283 38.000 0.005 0.000 1.244 77 I HN 0.310 nan 8.210 nan 0.000 0.420 78 V N 3.422 123.337 119.914 0.002 0.000 2.427 78 V HA 0.518 4.638 4.120 -0.000 0.000 0.286 78 V C -0.364 175.731 176.094 0.002 0.000 1.034 78 V CA -0.590 61.710 62.300 0.001 0.000 0.893 78 V CB 1.411 33.235 31.823 0.001 0.000 0.982 78 V HN 0.869 nan 8.190 nan 0.000 0.452 79 C N 3.323 122.623 119.300 0.000 0.000 2.535 79 C HA 0.753 5.212 4.460 -0.000 0.000 0.319 79 C C 1.222 176.212 174.990 0.001 0.000 1.171 79 C CA 0.213 59.232 59.018 0.001 0.000 1.394 79 C CB 1.047 28.787 27.740 -0.001 0.000 1.990 79 C HN 1.132 nan 8.230 nan 0.000 0.466 80 G N 3.111 111.913 108.800 0.003 0.000 3.189 80 G HA2 0.465 4.425 3.960 -0.000 0.000 0.225 80 G HA3 0.465 4.425 3.960 -0.000 0.000 0.225 80 G C 0.584 175.486 174.900 0.003 0.000 1.159 80 G CA 0.740 45.841 45.100 0.003 0.000 0.763 80 G HN 1.244 nan 8.290 nan 0.000 0.549 81 A N 0.931 123.753 122.820 0.004 0.000 2.388 81 A HA 0.597 4.917 4.320 -0.000 0.000 0.257 81 A C -0.836 176.748 177.584 -0.000 0.000 1.095 81 A CA -1.087 50.953 52.037 0.005 0.000 0.791 81 A CB 1.012 20.018 19.000 0.010 0.000 1.029 81 A HN 0.074 nan 8.150 nan 0.000 0.489 82 P HA -0.066 nan 4.420 nan 0.000 0.226 82 P C 0.502 177.796 177.300 -0.010 0.000 1.153 82 P CA 1.200 64.296 63.100 -0.005 0.000 0.777 82 P CB 0.169 31.866 31.700 -0.004 0.000 0.794 83 N N -1.906 116.788 118.700 -0.010 0.000 2.159 83 N HA 0.042 4.781 4.740 -0.000 0.000 0.217 83 N C -0.118 175.379 175.510 -0.022 0.000 1.223 83 N CA -0.092 52.949 53.050 -0.016 0.000 0.896 83 N CB -0.001 38.477 38.487 -0.015 0.000 1.064 83 N HN -0.026 nan 8.380 nan 0.000 0.518 84 V N 1.051 120.953 119.914 -0.020 0.000 2.583 84 V HA 0.420 4.540 4.120 -0.000 0.000 0.287 84 V C -0.962 175.109 176.094 -0.039 0.000 1.051 84 V CA 0.189 62.471 62.300 -0.029 0.000 1.010 84 V CB 1.096 32.906 31.823 -0.022 0.000 0.988 84 V HN 0.282 nan 8.190 nan 0.000 0.478 85 D N 3.708 124.073 120.400 -0.058 0.000 2.683 85 D HA 0.565 5.205 4.640 -0.000 0.000 0.246 85 D C -0.551 175.684 176.300 -0.110 0.000 1.238 85 D CA 0.241 54.203 54.000 -0.064 0.000 0.759 85 D CB 2.098 42.870 40.800 -0.046 0.000 1.349 85 D HN 0.887 nan 8.370 nan 0.000 0.426 86 A N -0.041 122.712 122.820 -0.112 0.000 2.425 86 A HA 0.567 4.887 4.320 -0.000 0.000 0.242 86 A C 1.322 178.790 177.584 -0.193 0.000 1.077 86 A CA 1.014 52.940 52.037 -0.185 0.000 0.781 86 A CB -0.033 18.902 19.000 -0.108 0.000 1.020 86 A HN 1.422 nan 8.150 nan 0.000 0.494 87 G N -0.005 108.566 108.800 -0.382 0.000 2.195 87 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.224 87 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.224 87 G C 0.124 174.928 174.900 -0.159 0.000 0.990 87 G CA 0.340 45.340 45.100 -0.166 0.000 0.639 87 G HN 0.888 nan 8.290 nan 0.000 0.514 88 Q N 0.725 120.330 119.800 -0.324 0.000 2.241 88 Q HA 0.456 4.795 4.340 -0.000 0.000 0.254 88 Q C -0.573 175.347 176.000 -0.134 0.000 0.917 88 Q CA -0.606 55.130 55.803 -0.111 0.000 0.919 88 Q CB 0.971 29.655 28.738 -0.090 0.000 1.237 88 Q HN 0.538 nan 8.270 nan 0.000 0.434 89 H N 1.918 121.056 119.070 0.114 0.000 2.705 89 H HA 0.264 4.820 4.556 -0.000 0.000 0.291 89 H C -0.025 175.528 175.328 0.374 0.000 1.085 89 H CA -0.320 55.877 56.048 0.249 0.000 1.357 89 H CB 0.698 30.622 29.762 0.269 0.000 1.419 89 H HN 0.409 nan 8.280 nan 0.000 0.462 90 V N 1.625 121.756 119.914 0.361 0.000 3.166 90 V HA 0.537 4.657 4.120 -0.000 0.000 0.317 90 V C 0.252 176.588 176.094 0.402 0.000 1.136 90 V CA -1.201 61.274 62.300 0.292 0.000 1.035 90 V CB 1.944 33.835 31.823 0.114 0.000 1.110 90 V HN 0.469 nan 8.190 nan 0.000 0.450 91 I N 1.238 121.979 120.570 0.284 0.000 2.315 91 I HA 0.480 4.649 4.170 -0.000 0.000 0.291 91 I C -0.620 175.574 176.117 0.128 0.000 1.006 91 I CA -0.488 60.944 61.300 0.221 0.000 1.265 91 I CB 1.646 39.706 38.000 0.099 0.000 1.387 91 I HN 0.387 nan 8.210 nan 0.000 0.475 92 V N 6.312 126.295 119.914 0.115 0.000 2.409 92 V HA 0.502 4.622 4.120 -0.000 0.000 0.291 92 V C 0.357 176.484 176.094 0.055 0.000 1.020 92 V CA -0.714 61.629 62.300 0.072 0.000 0.848 92 V CB 1.579 33.441 31.823 0.065 0.000 0.990 92 V HN 0.817 nan 8.190 nan 0.000 0.430 93 A N 5.680 128.524 122.820 0.040 0.000 2.347 93 A HA 0.480 4.799 4.320 -0.000 0.000 0.287 93 A C 0.455 178.055 177.584 0.025 0.000 1.199 93 A CA -0.217 51.837 52.037 0.029 0.000 0.851 93 A CB 0.031 19.044 19.000 0.021 0.000 1.118 93 A HN 0.859 nan 8.150 nan 0.000 0.525 94 K N 1.074 121.489 120.400 0.024 0.000 2.614 94 K HA 0.405 4.724 4.320 -0.000 0.000 0.275 94 K C -0.148 176.462 176.600 0.016 0.000 1.055 94 K CA -0.356 55.944 56.287 0.021 0.000 0.961 94 K CB 0.289 32.802 32.500 0.021 0.000 1.220 94 K HN 0.419 nan 8.250 nan 0.000 0.491 95 V N 0.492 120.414 119.914 0.014 0.000 2.509 95 V HA 0.285 4.405 4.120 -0.000 0.000 0.284 95 V C 0.839 176.939 176.094 0.010 0.000 1.047 95 V CA 1.002 63.309 62.300 0.011 0.000 0.952 95 V CB 0.637 32.466 31.823 0.010 0.000 0.988 95 V HN 1.017 nan 8.190 nan 0.000 0.469 96 G N 3.878 112.683 108.800 0.008 0.000 2.179 96 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.260 96 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.260 96 G C 0.539 175.443 174.900 0.008 0.000 0.977 96 G CA 0.047 45.151 45.100 0.007 0.000 0.641 96 G HN 1.297 nan 8.290 nan 0.000 0.533 97 G N -0.925 107.880 108.800 0.009 0.000 2.580 97 G HA2 0.629 4.589 3.960 -0.000 0.000 0.278 97 G HA3 0.629 4.589 3.960 -0.000 0.000 0.278 97 G C -0.147 174.758 174.900 0.008 0.000 1.212 97 G CA -0.545 44.561 45.100 0.010 0.000 0.939 97 G HN 0.456 nan 8.290 nan 0.000 0.513 98 R N -0.476 120.029 120.500 0.008 0.000 2.538 98 R HA 0.442 4.782 4.340 -0.000 0.000 0.292 98 R C -0.685 175.618 176.300 0.006 0.000 1.008 98 R CA -0.557 55.546 56.100 0.006 0.000 0.896 98 R CB 1.648 31.951 30.300 0.004 0.000 1.187 98 R HN 0.375 nan 8.270 nan 0.000 0.440 99 L N 3.640 124.866 121.223 0.004 0.000 2.331 99 L HA 0.610 4.949 4.340 -0.000 0.000 0.268 99 L C -2.088 174.781 176.870 -0.001 0.000 1.015 99 L CA -2.527 52.315 54.840 0.003 0.000 0.807 99 L CB 1.557 43.619 42.059 0.004 0.000 1.293 99 L HN 0.349 nan 8.230 nan 0.000 0.451 100 P HA 0.088 nan 4.420 nan 0.000 0.267 100 P C 0.261 177.558 177.300 -0.005 0.000 1.200 100 P CA 0.478 63.572 63.100 -0.008 0.000 0.772 100 P CB 0.494 32.187 31.700 -0.012 0.000 0.855 101 G N 1.691 110.487 108.800 -0.007 0.000 2.215 101 G HA2 0.034 3.994 3.960 -0.000 0.000 0.198 101 G HA3 0.034 3.994 3.960 -0.000 0.000 0.198 101 G C 0.653 175.551 174.900 -0.002 0.000 1.047 101 G CA 0.123 45.220 45.100 -0.004 0.000 0.747 101 G HN 0.934 nan 8.290 nan 0.000 0.495 102 G N -0.574 108.224 108.800 -0.003 0.000 2.422 102 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.301 102 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.301 102 G C 0.374 175.274 174.900 0.000 0.000 0.981 102 G CA 0.735 45.834 45.100 -0.002 0.000 0.994 102 G HN 1.494 nan 8.290 nan 0.000 0.514 103 I N 0.821 121.391 120.570 0.001 0.000 2.337 103 I HA 0.284 4.454 4.170 -0.000 0.000 0.285 103 I C 0.633 176.752 176.117 0.004 0.000 1.041 103 I CA -0.621 60.681 61.300 0.003 0.000 1.199 103 I CB 0.828 38.830 38.000 0.004 0.000 1.370 103 I HN 0.228 nan 8.210 nan 0.000 0.470 104 K N 7.013 127.415 120.400 0.004 0.000 2.182 104 K HA 0.624 4.943 4.320 -0.000 0.000 0.262 104 K C -0.929 175.675 176.600 0.006 0.000 0.957 104 K CA -0.664 55.625 56.287 0.004 0.000 0.842 104 K CB 2.406 34.909 32.500 0.004 0.000 1.099 104 K HN 0.321 nan 8.250 nan 0.000 0.438 105 I N 2.663 123.237 120.570 0.007 0.000 2.437 105 I HA 0.361 4.530 4.170 -0.000 0.000 0.298 105 I C 0.023 176.144 176.117 0.007 0.000 0.984 105 I CA -0.827 60.478 61.300 0.008 0.000 1.214 105 I CB 1.278 39.283 38.000 0.010 0.000 1.365 105 I HN 0.612 nan 8.210 nan 0.000 0.469 106 K N 4.844 125.248 120.400 0.007 0.000 2.395 106 K HA 0.528 4.848 4.320 -0.000 0.000 0.245 106 K C -0.275 176.328 176.600 0.006 0.000 1.017 106 K CA -1.068 55.222 56.287 0.006 0.000 0.852 106 K CB 1.710 34.213 32.500 0.005 0.000 1.311 106 K HN 0.432 nan 8.250 nan 0.000 0.452 107 R N 0.381 120.885 120.500 0.006 0.000 2.590 107 R HA 0.407 4.747 4.340 -0.000 0.000 0.274 107 R C -0.441 175.862 176.300 0.005 0.000 1.061 107 R CA 0.171 56.274 56.100 0.006 0.000 1.081 107 R CB 0.558 30.861 30.300 0.005 0.000 0.984 107 R HN 0.734 nan 8.270 nan 0.000 0.448 108 A N 3.076 125.899 122.820 0.005 0.000 2.547 108 A HA 0.293 4.612 4.320 -0.000 0.000 0.298 108 A C -1.099 176.487 177.584 0.004 0.000 1.062 108 A CA -0.831 51.209 52.037 0.004 0.000 0.748 108 A CB 1.286 20.289 19.000 0.005 0.000 1.288 108 A HN 0.665 nan 8.150 nan 0.000 0.396 114 R N 0.383 120.885 120.500 0.003 0.000 2.637 114 R HA 0.661 5.001 4.340 -0.000 0.000 0.269 114 R C -0.804 175.498 176.300 0.004 0.000 1.089 114 R CA 0.507 56.609 56.100 0.003 0.000 1.177 114 R CB 0.899 31.201 30.300 0.004 0.000 1.091 114 R HN 0.365 nan 8.270 nan 0.000 0.540 115 S N 1.110 116.813 115.700 0.005 0.000 2.653 115 S HA 0.204 4.673 4.470 -0.000 0.000 0.268 115 S C -1.546 173.058 174.600 0.007 0.000 1.153 115 S CA -0.981 57.222 58.200 0.005 0.000 1.036 115 S CB 1.266 64.469 63.200 0.005 0.000 1.103 115 S HN 0.624 nan 8.310 nan 0.000 0.466 116 E N 2.832 123.037 120.200 0.008 0.000 2.884 116 E HA 0.638 4.988 4.350 -0.000 0.000 0.221 116 E C 0.485 177.092 176.600 0.012 0.000 1.137 116 E CA -0.060 56.346 56.400 0.009 0.000 1.160 116 E CB 0.836 30.542 29.700 0.009 0.000 1.385 116 E HN 1.202 nan 8.360 nan 0.000 0.442 117 G N 0.916 109.723 108.800 0.012 0.000 2.334 117 G HA2 0.066 4.026 3.960 -0.000 0.000 0.315 117 G HA3 0.066 4.026 3.960 -0.000 0.000 0.315 117 G C -1.475 173.434 174.900 0.015 0.000 1.284 117 G CA -0.853 44.256 45.100 0.015 0.000 0.985 117 G HN 0.216 nan 8.290 nan 0.000 0.504 118 M N 0.423 120.035 119.600 0.019 0.000 2.324 118 M HA 0.653 5.133 4.480 -0.000 0.000 0.288 118 M C -1.176 175.140 176.300 0.027 0.000 1.097 118 M CA -0.911 54.401 55.300 0.019 0.000 0.928 118 M CB 1.663 34.273 32.600 0.017 0.000 1.648 118 M HN 0.522 nan 8.290 nan 0.000 0.460 119 I N 4.314 124.900 120.570 0.027 0.000 2.396 119 I HA 0.222 4.392 4.170 -0.000 0.000 0.289 119 I C -0.447 175.692 176.117 0.037 0.000 1.056 119 I CA -0.489 60.833 61.300 0.037 0.000 1.365 119 I CB 0.604 38.621 38.000 0.028 0.000 1.407 119 I HN 0.688 nan 8.210 nan 0.000 0.509 120 C N 4.647 123.974 119.300 0.045 0.000 2.401 120 C HA 0.425 4.884 4.460 -0.000 0.000 0.365 120 C C 1.003 176.023 174.990 0.051 0.000 1.250 120 C CA -0.828 58.211 59.018 0.035 0.000 2.131 120 C CB 0.651 28.401 27.740 0.016 0.000 2.445 120 C HN 0.858 nan 8.230 nan 0.000 0.550 121 S N 2.108 117.834 115.700 0.044 0.000 2.600 121 S HA 0.245 4.714 4.470 -0.000 0.000 0.265 121 S C 0.798 175.408 174.600 0.016 0.000 1.325 121 S CA -0.410 57.824 58.200 0.057 0.000 1.002 121 S CB 0.262 63.492 63.200 0.050 0.000 0.921 121 S HN 0.668 nan 8.310 nan 0.000 0.554 122 L N 0.840 122.070 121.223 0.012 0.000 2.156 122 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 122 L C 2.721 179.574 176.870 -0.028 0.000 1.095 122 L CA 1.220 56.016 54.840 -0.074 0.000 0.770 122 L CB -0.528 41.485 42.059 -0.075 0.000 0.914 122 L HN 0.752 nan 8.230 nan 0.000 0.439 123 Q N -0.356 119.451 119.800 0.012 0.000 2.297 123 Q HA -0.179 4.160 4.340 -0.000 0.000 0.204 123 Q C 1.767 177.773 176.000 0.010 0.000 0.962 123 Q CA 1.000 56.814 55.803 0.018 0.000 0.879 123 Q CB -0.020 28.735 28.738 0.029 0.000 0.947 123 Q HN 0.453 nan 8.270 nan 0.000 0.462 124 E N 0.294 120.497 120.200 0.006 0.000 2.358 124 E HA -0.044 4.306 4.350 -0.000 0.000 0.195 124 E C 1.202 177.800 176.600 -0.003 0.000 1.010 124 E CA 0.545 56.948 56.400 0.004 0.000 0.856 124 E CB 0.085 29.791 29.700 0.009 0.000 0.795 124 E HN 0.563 nan 8.360 nan 0.000 0.504 125 I N -3.642 116.919 120.570 -0.015 0.000 3.891 125 I HA 0.417 4.587 4.170 -0.000 0.000 0.331 125 I C 0.883 177.001 176.117 0.002 0.000 1.406 125 I CA 0.188 61.478 61.300 -0.016 0.000 1.139 125 I CB 0.548 38.518 38.000 -0.049 0.000 1.056 125 I HN 0.031 nan 8.210 nan 0.000 0.399 126 G N 1.677 110.482 108.800 0.008 0.000 2.131 126 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.201 126 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.201 126 G C -0.188 174.741 174.900 0.048 0.000 1.000 126 G CA -0.246 44.865 45.100 0.017 0.000 0.680 126 G HN 0.273 nan 8.290 nan 0.000 0.514 127 I N 1.896 122.493 120.570 0.045 0.000 2.342 127 I HA 0.436 4.606 4.170 -0.000 0.000 0.291 127 I C 1.214 177.365 176.117 0.057 0.000 1.010 127 I CA -0.640 60.702 61.300 0.071 0.000 1.308 127 I CB 1.091 39.114 38.000 0.038 0.000 1.400 127 I HN 0.295 nan 8.210 nan 0.000 0.488 128 S N 4.098 119.840 115.700 0.070 0.000 2.562 128 S HA 0.027 4.496 4.470 -0.000 0.000 0.281 128 S C 1.378 176.007 174.600 0.048 0.000 1.333 128 S CA 0.163 58.394 58.200 0.050 0.000 1.052 128 S CB 0.722 63.954 63.200 0.052 0.000 0.884 128 S HN 0.746 nan 8.310 nan 0.000 0.506 129 S N 3.002 118.725 115.700 0.038 0.000 2.522 129 S HA -0.113 4.356 4.470 -0.000 0.000 0.227 129 S C 1.224 175.845 174.600 0.037 0.000 0.986 129 S CA 0.913 59.136 58.200 0.038 0.000 0.929 129 S CB -0.796 62.423 63.200 0.031 0.000 0.769 129 S HN 0.928 nan 8.310 nan 0.000 0.529 130 N N 1.643 120.364 118.700 0.036 0.000 2.449 130 N HA -0.008 4.732 4.740 -0.000 0.000 0.191 130 N C 0.994 176.527 175.510 0.039 0.000 1.161 130 N CA 0.805 53.875 53.050 0.034 0.000 0.863 130 N CB 0.136 38.640 38.487 0.030 0.000 0.980 130 N HN 0.568 nan 8.380 nan 0.000 0.458 131 V N -4.679 115.263 119.914 0.047 0.000 3.398 131 V HA 0.387 4.507 4.120 -0.000 0.000 0.298 131 V C 0.290 176.416 176.094 0.053 0.000 1.496 131 V CA -0.561 61.767 62.300 0.048 0.000 1.044 131 V CB -0.193 31.662 31.823 0.053 0.000 0.880 131 V HN -0.070 nan 8.190 nan 0.000 0.443 132 V N 3.946 123.897 119.914 0.061 0.000 2.485 132 V HA 0.229 4.349 4.120 -0.000 0.000 0.287 132 V C -1.940 174.213 176.094 0.098 0.000 1.022 132 V CA -0.721 61.632 62.300 0.089 0.000 1.067 132 V CB 0.452 32.329 31.823 0.091 0.000 0.967 132 V HN 0.389 nan 8.190 nan 0.000 0.479 133 P HA 0.050 nan 4.420 nan 0.000 0.265 133 P C 0.792 178.106 177.300 0.024 0.000 1.193 133 P CA -0.155 63.001 63.100 0.092 0.000 0.765 133 P CB 0.531 32.330 31.700 0.165 0.000 0.823 134 K N 3.630 124.008 120.400 -0.036 0.000 2.144 134 K HA -0.291 4.029 4.320 -0.000 0.000 0.209 134 K C 1.685 178.194 176.600 -0.151 0.000 1.047 134 K CA 2.060 58.305 56.287 -0.069 0.000 0.927 134 K CB -0.623 31.837 32.500 -0.067 0.000 0.716 134 K HN 0.471 nan 8.250 nan 0.000 0.454 135 A N -0.195 122.435 122.820 -0.318 0.000 2.019 135 A HA -0.126 4.193 4.320 -0.000 0.000 0.219 135 A C 0.914 178.155 177.584 -0.572 0.000 1.164 135 A CA 1.198 52.902 52.037 -0.554 0.000 0.644 135 A CB -0.405 18.068 19.000 -0.878 0.000 0.805 135 A HN 0.500 nan 8.150 nan 0.000 0.449 136 Y N 0.054 120.358 120.300 0.006 0.000 2.636 136 Y HA 0.194 4.744 4.550 -0.000 0.000 0.260 136 Y C 1.756 177.675 175.900 0.032 0.000 1.177 136 Y CA -0.115 58.005 58.100 0.034 0.000 1.209 136 Y CB -0.317 38.220 38.460 0.128 0.000 1.166 136 Y HN 0.648 nan 8.280 nan 0.000 0.531 137 E N -0.183 120.073 120.200 0.094 0.000 2.072 137 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 137 E C 0.054 176.689 176.600 0.058 0.000 0.982 137 E CA 0.732 57.175 56.400 0.072 0.000 0.803 137 E CB -0.094 29.627 29.700 0.034 0.000 0.755 137 E HN 0.094 nan 8.360 nan 0.000 0.453 138 N N 0.673 119.396 118.700 0.038 0.000 2.419 138 N HA 0.389 5.128 4.740 -0.000 0.000 0.277 138 N C -0.333 175.199 175.510 0.037 0.000 1.006 138 N CA 1.043 54.110 53.050 0.028 0.000 0.923 138 N CB 1.606 40.098 38.487 0.008 0.000 1.140 138 N HN 0.462 nan 8.380 nan 0.000 0.488 139 G N 1.026 109.850 108.800 0.039 0.000 2.760 139 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.246 139 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.246 139 G C -0.168 174.769 174.900 0.063 0.000 1.359 139 G CA -0.308 44.815 45.100 0.039 0.000 0.861 139 G HN 0.728 nan 8.290 nan 0.000 0.541 140 I N -1.868 118.733 120.570 0.051 0.000 2.882 140 I HA 0.657 4.826 4.170 -0.000 0.000 0.286 140 I C 0.636 176.811 176.117 0.096 0.000 1.139 140 I CA -0.744 60.597 61.300 0.068 0.000 1.379 140 I CB 0.437 38.464 38.000 0.044 0.000 1.410 140 I HN 0.666 nan 8.210 nan 0.000 0.594 141 F N 4.738 124.647 119.950 -0.068 0.000 2.456 141 F HA 0.536 5.062 4.527 -0.001 0.000 0.358 141 F C -0.362 175.348 175.800 -0.149 0.000 1.095 141 F CA -0.205 57.697 58.000 -0.164 0.000 1.216 141 F CB 0.708 39.484 39.000 -0.373 0.000 1.125 141 F HN 0.253 nan 8.300 nan 0.000 0.549 142 V N 7.798 127.188 119.914 -0.872 0.000 2.409 142 V HA 0.235 4.355 4.120 -0.000 0.000 0.291 142 V C -0.248 175.257 176.094 -0.981 0.000 1.020 142 V CA -0.920 61.021 62.300 -0.598 0.000 0.848 142 V CB 1.023 32.714 31.823 -0.220 0.000 0.990 142 V HN 0.595 nan 8.190 nan 0.000 0.430 143 F N 6.946 126.668 119.950 -0.380 0.000 2.602 143 F HA 0.178 4.705 4.527 -0.000 0.000 0.367 143 F C -0.593 175.151 175.800 -0.093 0.000 1.126 143 F CA -0.833 57.100 58.000 -0.112 0.000 1.321 143 F CB 0.695 39.785 39.000 0.151 0.000 1.094 143 F HN 0.402 nan 8.300 nan 0.000 0.594 144 P HA 0.004 nan 4.420 nan 0.000 0.231 144 P C 0.006 177.357 177.300 0.085 0.000 1.168 144 P CA 0.759 63.915 63.100 0.093 0.000 0.779 144 P CB 0.106 31.866 31.700 0.100 0.000 0.844 145 T N -3.697 110.919 114.554 0.103 0.000 2.916 145 T HA 0.421 4.771 4.350 -0.000 0.000 0.292 145 T C -0.434 174.168 174.700 -0.162 0.000 1.064 145 T CA -0.925 61.175 62.100 -0.001 0.000 1.011 145 T CB 1.585 70.457 68.868 0.007 0.000 1.152 145 T HN -0.286 nan 8.240 nan 0.000 0.510 146 E N 0.551 120.582 120.200 -0.282 0.000 2.729 146 E HA 0.312 4.662 4.350 -0.000 0.000 0.246 146 E C -0.808 175.530 176.600 -0.437 0.000 0.984 146 E CA 0.358 56.419 56.400 -0.565 0.000 0.951 146 E CB -0.259 29.282 29.700 -0.264 0.000 0.914 146 E HN 0.545 nan 8.360 nan 0.000 0.509 147 V N 3.925 123.504 119.914 -0.558 0.000 2.864 147 V HA 0.239 4.359 4.120 -0.000 0.000 0.314 147 V C -0.033 176.021 176.094 -0.066 0.000 1.073 147 V CA -0.996 61.126 62.300 -0.296 0.000 0.956 147 V CB 1.881 33.387 31.823 -0.528 0.000 1.023 147 V HN 0.682 nan 8.190 nan 0.000 0.435 148 E N 4.422 124.590 120.200 -0.054 0.000 2.265 148 E HA 0.214 4.564 4.350 -0.000 0.000 0.272 148 E C -2.467 174.155 176.600 0.036 0.000 1.067 148 E CA -1.582 54.825 56.400 0.012 0.000 0.900 148 E CB 0.920 30.609 29.700 -0.019 0.000 1.017 148 E HN 0.391 nan 8.360 nan 0.000 0.431 149 P HA -0.068 nan 4.420 nan 0.000 0.261 149 P C 0.483 177.805 177.300 0.036 0.000 1.165 149 P CA 1.539 64.681 63.100 0.070 0.000 0.759 149 P CB 0.589 32.328 31.700 0.066 0.000 0.772 150 G N 1.758 110.580 108.800 0.037 0.000 2.268 150 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.240 150 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.240 150 G C 0.415 175.321 174.900 0.010 0.000 1.010 150 G CA 0.195 45.309 45.100 0.023 0.000 0.618 150 G HN 0.608 nan 8.290 nan 0.000 0.516 151 T N 1.357 115.909 114.554 -0.003 0.000 2.939 151 T HA 0.338 4.688 4.350 -0.000 0.000 0.319 151 T C 0.369 175.066 174.700 -0.005 0.000 1.082 151 T CA 0.814 62.902 62.100 -0.020 0.000 1.133 151 T CB 0.940 69.775 68.868 -0.055 0.000 1.019 151 T HN 0.518 nan 8.240 nan 0.000 0.548 152 D N 0.666 121.060 120.400 -0.009 0.000 2.472 152 D HA 0.233 4.872 4.640 -0.000 0.000 0.248 152 D C 1.032 177.345 176.300 0.022 0.000 1.174 152 D CA 0.229 54.232 54.000 0.005 0.000 0.883 152 D CB 0.386 41.181 40.800 -0.008 0.000 1.149 152 D HN 0.519 nan 8.370 nan 0.000 0.488 153 A N 4.117 126.974 122.820 0.061 0.000 1.969 153 A HA -0.090 4.229 4.320 -0.000 0.000 0.218 153 A C 2.152 179.805 177.584 0.115 0.000 1.169 153 A CA 0.773 52.891 52.037 0.136 0.000 0.635 153 A CB -0.444 18.649 19.000 0.155 0.000 0.810 153 A HN 0.738 nan 8.150 nan 0.000 0.445 154 L N -0.661 120.592 121.223 0.050 0.000 2.109 154 L HA -0.125 4.214 4.340 -0.000 0.000 0.207 154 L C 2.695 179.573 176.870 0.014 0.000 1.086 154 L CA 1.673 56.530 54.840 0.027 0.000 0.760 154 L CB -0.852 41.220 42.059 0.020 0.000 0.910 154 L HN 0.359 nan 8.230 nan 0.000 0.437 155 T N -0.023 114.522 114.554 -0.015 0.000 2.821 155 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 155 T C 1.954 176.607 174.700 -0.078 0.000 1.046 155 T CA 1.195 63.242 62.100 -0.088 0.000 1.139 155 T CB -0.204 68.606 68.868 -0.096 0.000 0.871 155 T HN 0.412 nan 8.240 nan 0.000 0.454 156 A N 0.868 123.699 122.820 0.019 0.000 2.121 156 A HA 0.191 4.511 4.320 -0.000 0.000 0.218 156 A C 2.058 179.827 177.584 0.308 0.000 1.154 156 A CA 0.773 52.867 52.037 0.096 0.000 0.679 156 A CB -0.633 18.339 19.000 -0.045 0.000 0.795 156 A HN 0.494 nan 8.150 nan 0.000 0.458 157 L N -2.914 118.449 121.223 0.234 0.000 2.592 157 L HA 0.098 4.438 4.340 -0.000 0.000 0.227 157 L C 0.232 177.249 176.870 0.245 0.000 1.127 157 L CA -0.098 54.849 54.840 0.179 0.000 0.884 157 L CB -0.177 41.866 42.059 -0.026 0.000 1.065 157 L HN 0.463 nan 8.230 nan 0.000 0.457 158 Y N -1.096 119.224 120.300 0.034 0.000 4.236 158 Y HA -0.285 4.265 4.550 -0.000 0.000 0.220 158 Y C 1.074 176.958 175.900 -0.025 0.000 1.115 158 Y CA 0.555 58.666 58.100 0.018 0.000 1.811 158 Y CB -1.946 36.544 38.460 0.050 0.000 1.581 158 Y HN 0.172 nan 8.280 nan 0.000 0.643 159 L N -0.359 120.892 121.223 0.046 0.000 2.769 159 L HA 0.185 4.525 4.340 -0.000 0.000 0.240 159 L C 1.156 178.048 176.870 0.037 0.000 1.163 159 L CA 0.000 54.835 54.840 -0.009 0.000 0.962 159 L CB 0.127 42.165 42.059 -0.036 0.000 1.258 159 L HN 0.125 nan 8.230 nan 0.000 0.513 160 N N 1.636 120.345 118.700 0.014 0.000 3.124 160 N HA 0.075 4.814 4.740 -0.000 0.000 0.284 160 N C -1.216 174.311 175.510 0.027 0.000 1.209 160 N CA 0.391 53.452 53.050 0.018 0.000 1.149 160 N CB -0.020 38.457 38.487 -0.017 0.000 1.434 160 N HN 0.143 nan 8.380 nan 0.000 0.529 161 D N 0.193 120.640 120.400 0.078 0.000 2.717 161 D HA 0.186 4.826 4.640 -0.000 0.000 0.223 161 D C -1.074 175.320 176.300 0.157 0.000 1.240 161 D CA -0.380 53.675 54.000 0.091 0.000 0.801 161 D CB 1.249 42.097 40.800 0.081 0.000 1.556 161 D HN 0.168 nan 8.370 nan 0.000 0.462 162 Q N 0.733 120.606 119.800 0.121 0.000 2.297 162 Q HA 0.707 5.046 4.340 -0.000 0.000 0.268 162 Q C -0.975 175.100 176.000 0.125 0.000 1.045 162 Q CA -1.009 54.877 55.803 0.139 0.000 0.861 162 Q CB 1.647 30.431 28.738 0.076 0.000 1.344 162 Q HN 0.187 nan 8.270 nan 0.000 0.452 163 V N 1.805 121.801 119.914 0.136 0.000 2.588 163 V HA 0.439 4.559 4.120 -0.000 0.000 0.304 163 V C -0.192 175.918 176.094 0.026 0.000 1.042 163 V CA -0.660 61.698 62.300 0.097 0.000 0.877 163 V CB 1.672 33.620 31.823 0.209 0.000 0.996 163 V HN 0.774 nan 8.190 nan 0.000 0.425 164 M N 3.396 122.963 119.600 -0.054 0.000 2.188 164 M HA 0.435 4.915 4.480 -0.000 0.000 0.357 164 M C -0.060 176.145 176.300 -0.159 0.000 1.204 164 M CA -0.160 55.101 55.300 -0.065 0.000 1.095 164 M CB 1.349 33.918 32.600 -0.052 0.000 1.604 164 M HN 0.714 nan 8.290 nan 0.000 0.464 165 E N 3.261 123.437 120.200 -0.039 0.000 2.174 165 E HA 0.366 4.716 4.350 -0.000 0.000 0.282 165 E C -1.545 175.143 176.600 0.146 0.000 0.992 165 E CA -0.290 56.093 56.400 -0.029 0.000 0.803 165 E CB 0.913 30.624 29.700 0.019 0.000 1.090 165 E HN 0.497 nan 8.360 nan 0.000 0.396 166 F N 2.594 122.540 119.950 -0.007 0.000 2.385 166 F HA 0.171 4.698 4.527 -0.001 0.000 0.336 166 F C 0.612 176.406 175.800 -0.009 0.000 1.100 166 F CA -1.037 56.956 58.000 -0.012 0.000 1.116 166 F CB 1.154 40.141 39.000 -0.022 0.000 1.166 166 F HN 0.421 nan 8.300 nan 0.000 0.511 167 D N 4.791 125.299 120.400 0.181 0.000 2.443 167 D HA 0.341 4.981 4.640 -0.000 0.000 0.221 167 D C -0.630 175.703 176.300 0.055 0.000 1.097 167 D CA -0.116 53.940 54.000 0.093 0.000 0.865 167 D CB 0.525 41.359 40.800 0.056 0.000 1.034 167 D HN 0.327 nan 8.370 nan 0.000 0.511 168 L N 1.809 123.068 121.223 0.060 0.000 2.416 168 L HA 0.433 4.772 4.340 -0.000 0.000 0.262 168 L C 1.211 178.085 176.870 0.007 0.000 1.093 168 L CA -0.770 54.084 54.840 0.023 0.000 0.801 168 L CB 1.351 43.436 42.059 0.042 0.000 1.191 168 L HN 0.329 nan 8.230 nan 0.000 0.459 169 T N -2.728 111.821 114.554 -0.010 0.000 2.909 169 T HA 0.285 4.634 4.350 -0.000 0.000 0.286 169 T C -1.768 172.933 174.700 0.002 0.000 1.002 169 T CA -1.848 60.250 62.100 -0.004 0.000 1.074 169 T CB 1.313 70.174 68.868 -0.012 0.000 0.984 169 T HN 0.394 nan 8.240 nan 0.000 0.495 170 P HA -0.176 nan 4.420 nan 0.000 0.217 170 P C 1.008 178.313 177.300 0.007 0.000 1.148 170 P CA 1.300 64.406 63.100 0.009 0.000 0.834 170 P CB -0.051 31.656 31.700 0.010 0.000 0.783 171 N N -1.331 117.372 118.700 0.005 0.000 2.270 171 N HA -0.018 4.722 4.740 -0.000 0.000 0.198 171 N C 0.649 176.161 175.510 0.003 0.000 1.117 171 N CA 0.041 53.094 53.050 0.004 0.000 0.845 171 N CB -0.081 38.410 38.487 0.007 0.000 0.980 171 N HN -0.073 nan 8.380 nan 0.000 0.486 172 R N 0.548 121.047 120.500 -0.002 0.000 2.831 172 R HA 0.354 4.694 4.340 -0.000 0.000 0.337 172 R C 0.936 177.241 176.300 0.008 0.000 1.200 172 R CA -0.225 55.871 56.100 -0.006 0.000 1.088 172 R CB -0.420 29.859 30.300 -0.035 0.000 1.397 172 R HN 0.272 nan 8.270 nan 0.000 0.581 173 A N 1.482 124.309 122.820 0.011 0.000 2.070 173 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 173 A C 1.667 179.263 177.584 0.020 0.000 1.159 173 A CA 1.563 53.609 52.037 0.015 0.000 0.656 173 A CB -0.229 18.776 19.000 0.008 0.000 0.800 173 A HN 0.463 nan 8.150 nan 0.000 0.453 174 D N 0.476 120.890 120.400 0.024 0.000 2.280 174 D HA -0.160 4.479 4.640 -0.000 0.000 0.206 174 D C 1.461 177.787 176.300 0.043 0.000 0.988 174 D CA 1.447 55.472 54.000 0.041 0.000 0.886 174 D CB -0.264 40.563 40.800 0.045 0.000 0.914 174 D HN 0.451 nan 8.370 nan 0.000 0.473 175 A N 0.234 123.085 122.820 0.052 0.000 2.275 175 A HA 0.225 4.545 4.320 -0.000 0.000 0.212 175 A C 1.992 179.643 177.584 0.112 0.000 1.201 175 A CA -0.348 51.755 52.037 0.110 0.000 0.843 175 A CB -0.398 18.677 19.000 0.126 0.000 0.873 175 A HN 0.208 nan 8.150 nan 0.000 0.492 176 L N 1.585 122.833 121.223 0.042 0.000 2.801 176 L HA 0.106 4.446 4.340 -0.000 0.000 0.250 176 L C 0.570 177.391 176.870 -0.082 0.000 1.222 176 L CA 0.231 55.065 54.840 -0.011 0.000 1.054 176 L CB -0.809 41.242 42.059 -0.013 0.000 1.330 176 L HN 0.461 nan 8.230 nan 0.000 0.426 177 S N -2.862 112.764 115.700 -0.123 0.000 2.550 177 S HA 0.439 4.908 4.470 -0.000 0.000 0.270 177 S C 0.619 175.004 174.600 -0.357 0.000 1.145 177 S CA -0.915 57.137 58.200 -0.247 0.000 0.852 177 S CB 1.505 64.562 63.200 -0.238 0.000 1.119 177 S HN -0.067 nan 8.310 nan 0.000 0.465 178 M N 1.478 120.727 119.600 -0.585 0.000 2.175 178 M HA -0.012 4.468 4.480 -0.000 0.000 0.264 178 M C 2.107 177.943 176.300 -0.774 0.000 1.063 178 M CA 1.284 56.123 55.300 -0.770 0.000 1.119 178 M CB -1.636 30.257 32.600 -1.178 0.000 1.377 178 M HN 0.672 nan 8.290 nan 0.000 0.415 179 V N 0.641 120.055 119.914 -0.834 0.000 2.223 179 V HA -0.197 3.923 4.120 -0.000 0.000 0.244 179 V C 2.717 178.719 176.094 -0.153 0.000 1.045 179 V CA 2.288 64.179 62.300 -0.681 0.000 1.000 179 V CB -1.781 29.437 31.823 -1.009 0.000 0.635 179 V HN 0.534 nan 8.190 nan 0.000 0.445 180 G N -0.487 108.284 108.800 -0.048 0.000 2.491 180 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.218 180 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.218 180 G C 1.680 176.641 174.900 0.102 0.000 1.180 180 G CA 1.803 46.980 45.100 0.127 0.000 0.774 180 G HN 0.471 nan 8.290 nan 0.000 0.562 181 T N 1.670 116.235 114.554 0.017 0.000 2.665 181 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 181 T C 2.745 177.463 174.700 0.031 0.000 1.035 181 T CA 1.885 64.022 62.100 0.061 0.000 1.151 181 T CB -0.434 68.472 68.868 0.064 0.000 0.862 181 T HN 0.429 nan 8.240 nan 0.000 0.438 182 A N -0.205 122.573 122.820 -0.071 0.000 2.015 182 A HA -0.006 4.314 4.320 -0.000 0.000 0.219 182 A C 1.999 179.546 177.584 -0.062 0.000 1.163 182 A CA 1.041 53.032 52.037 -0.077 0.000 0.646 182 A CB -0.871 18.041 19.000 -0.146 0.000 0.806 182 A HN 0.594 nan 8.150 nan 0.000 0.448 183 Y N -0.360 119.927 120.300 -0.021 0.000 2.181 183 Y HA -0.189 4.360 4.550 -0.000 0.000 0.288 183 Y C 2.544 178.449 175.900 0.009 0.000 1.146 183 Y CA 1.808 59.917 58.100 0.016 0.000 1.164 183 Y CB -0.063 38.426 38.460 0.048 0.000 0.982 183 Y HN 0.489 nan 8.280 nan 0.000 0.515 184 E N -0.151 120.150 120.200 0.168 0.000 2.072 184 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 184 E C 2.050 178.698 176.600 0.080 0.000 0.985 184 E CA 1.432 57.884 56.400 0.086 0.000 0.801 184 E CB -0.332 29.396 29.700 0.046 0.000 0.750 184 E HN 0.187 nan 8.360 nan 0.000 0.452 185 V N 0.872 120.843 119.914 0.094 0.000 2.548 185 V HA -0.165 3.954 4.120 -0.000 0.000 0.249 185 V C 2.302 178.490 176.094 0.157 0.000 1.055 185 V CA 1.304 63.691 62.300 0.144 0.000 1.065 185 V CB -0.787 31.101 31.823 0.109 0.000 0.681 185 V HN 0.471 nan 8.190 nan 0.000 0.462 186 A N 0.651 123.515 122.820 0.074 0.000 1.870 186 A HA -0.318 4.001 4.320 -0.000 0.000 0.219 186 A C 2.469 180.092 177.584 0.065 0.000 1.224 186 A CA 2.917 54.985 52.037 0.052 0.000 0.650 186 A CB -1.157 17.839 19.000 -0.008 0.000 0.836 186 A HN 0.602 nan 8.150 nan 0.000 0.454 187 A N -0.318 122.529 122.820 0.045 0.000 1.851 187 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 187 A C 2.175 179.749 177.584 -0.016 0.000 1.195 187 A CA 1.755 53.791 52.037 -0.002 0.000 0.622 187 A CB -0.929 18.044 19.000 -0.045 0.000 0.831 187 A HN 0.570 nan 8.150 nan 0.000 0.444 188 L N -2.535 118.683 121.223 -0.009 0.000 2.034 188 L HA -0.266 4.074 4.340 -0.000 0.000 0.217 188 L C 1.922 178.614 176.870 -0.296 0.000 1.077 188 L CA 1.838 56.597 54.840 -0.135 0.000 0.769 188 L CB -0.784 41.222 42.059 -0.088 0.000 0.890 188 L HN 0.562 nan 8.230 nan 0.000 0.435 189 Y N -0.957 119.330 120.300 -0.022 0.000 2.658 189 Y HA 0.201 4.751 4.550 -0.001 0.000 0.276 189 Y C 0.364 176.253 175.900 -0.018 0.000 1.167 189 Y CA -0.597 57.491 58.100 -0.019 0.000 1.230 189 Y CB 0.046 38.497 38.460 -0.015 0.000 1.144 189 Y HN 0.148 nan 8.280 nan 0.000 0.529 190 Q N 0.988 120.825 119.800 0.061 0.000 2.447 190 Q HA -0.234 4.106 4.340 -0.000 0.000 0.348 190 Q C 0.092 176.122 176.000 0.050 0.000 1.421 190 Q CA 1.215 57.038 55.803 0.033 0.000 0.978 190 Q CB -1.274 27.469 28.738 0.008 0.000 1.191 190 Q HN 0.508 nan 8.270 nan 0.000 0.371 191 T N -1.318 113.268 114.554 0.053 0.000 2.618 191 T HA 0.429 4.778 4.350 -0.000 0.000 0.293 191 T C -1.675 173.035 174.700 0.017 0.000 1.093 191 T CA -0.651 61.472 62.100 0.038 0.000 1.061 191 T CB 2.186 71.080 68.868 0.044 0.000 1.498 191 T HN 0.296 nan 8.240 nan 0.000 0.494 192 E N 1.531 121.732 120.200 0.001 0.000 2.145 192 E HA 0.500 4.850 4.350 -0.000 0.000 0.270 192 E C -0.742 175.831 176.600 -0.045 0.000 0.906 192 E CA -0.745 55.646 56.400 -0.014 0.000 0.761 192 E CB 1.096 30.793 29.700 -0.006 0.000 1.116 192 E HN 0.589 nan 8.360 nan 0.000 0.408 193 M N 1.565 121.105 119.600 -0.101 0.000 2.342 193 M HA 0.427 4.906 4.480 -0.000 0.000 0.332 193 M C -0.718 175.520 176.300 -0.104 0.000 1.166 193 M CA -0.075 55.138 55.300 -0.144 0.000 1.086 193 M CB 1.610 34.029 32.600 -0.303 0.000 1.541 193 M HN 0.031 nan 8.290 nan 0.000 0.462 194 T N 1.942 116.472 114.554 -0.041 0.000 2.809 194 T HA 0.413 4.763 4.350 -0.000 0.000 0.296 194 T C -0.307 174.441 174.700 0.081 0.000 1.015 194 T CA -0.892 61.213 62.100 0.008 0.000 0.954 194 T CB 0.520 69.390 68.868 0.003 0.000 0.950 194 T HN 0.636 nan 8.240 nan 0.000 0.450 195 K N 4.091 124.536 120.400 0.074 0.000 2.414 195 K HA 0.202 4.522 4.320 -0.000 0.000 0.272 195 K C -1.858 174.855 176.600 0.188 0.000 0.993 195 K CA -1.122 55.248 56.287 0.138 0.000 0.964 195 K CB 0.297 32.904 32.500 0.178 0.000 0.925 195 K HN 0.393 nan 8.250 nan 0.000 0.487 196 P HA 0.060 nan 4.420 nan 0.000 0.276 196 P C -0.768 176.608 177.300 0.126 0.000 1.252 196 P CA -0.389 62.846 63.100 0.226 0.000 0.802 196 P CB 0.656 32.588 31.700 0.387 0.000 1.035 197 E N 0.307 120.495 120.200 -0.020 0.000 2.415 197 E HA 0.085 4.435 4.350 -0.000 0.000 0.263 197 E C 0.487 176.834 176.600 -0.421 0.000 0.995 197 E CA 0.530 56.762 56.400 -0.281 0.000 0.915 197 E CB -0.080 29.330 29.700 -0.483 0.000 0.951 197 E HN 0.499 nan 8.360 nan 0.000 0.449 198 T N 0.817 115.179 114.554 -0.321 0.000 3.144 198 T HA 0.154 4.504 4.350 -0.000 0.000 0.290 198 T C 0.104 174.735 174.700 -0.115 0.000 0.966 198 T CA -0.549 61.446 62.100 -0.176 0.000 0.907 198 T CB 0.124 68.985 68.868 -0.012 0.000 1.152 198 T HN 0.291 nan 8.240 nan 0.000 0.532 199 Q N 1.966 121.645 119.800 -0.201 0.000 2.303 199 Q HA 0.641 4.980 4.340 -0.000 0.000 0.257 199 Q C -0.789 175.296 176.000 0.142 0.000 0.941 199 Q CA -0.134 55.662 55.803 -0.012 0.000 0.931 199 Q CB 1.246 29.976 28.738 -0.013 0.000 1.215 199 Q HN 0.259 nan 8.270 nan 0.000 0.437 200 S N 3.155 118.964 115.700 0.182 0.000 2.654 200 S HA 0.441 4.910 4.470 -0.000 0.000 0.283 200 S C -0.689 173.990 174.600 0.132 0.000 1.180 200 S CA -0.828 57.502 58.200 0.218 0.000 1.021 200 S CB 0.648 63.949 63.200 0.168 0.000 1.018 200 S HN 0.725 nan 8.310 nan 0.000 0.532 201 N N 1.997 120.762 118.700 0.108 0.000 2.602 201 N HA 0.195 4.934 4.740 -0.000 0.000 0.238 201 N C -0.657 174.885 175.510 0.055 0.000 1.084 201 N CA -0.197 52.896 53.050 0.071 0.000 0.952 201 N CB 0.512 39.033 38.487 0.057 0.000 1.244 201 N HN 0.516 nan 8.380 nan 0.000 0.512 202 E N 0.330 120.561 120.200 0.052 0.000 2.349 202 E HA 0.123 4.472 4.350 -0.000 0.000 0.265 202 E C 0.842 177.462 176.600 0.034 0.000 1.064 202 E CA -0.468 55.959 56.400 0.045 0.000 0.886 202 E CB 0.798 30.526 29.700 0.046 0.000 1.036 202 E HN 0.541 nan 8.360 nan 0.000 0.413 203 T N -1.330 113.241 114.554 0.029 0.000 2.889 203 T HA 0.080 4.430 4.350 -0.000 0.000 0.340 203 T C 1.048 175.761 174.700 0.022 0.000 1.145 203 T CA -0.419 61.695 62.100 0.023 0.000 0.986 203 T CB 0.606 69.485 68.868 0.019 0.000 1.461 203 T HN 0.230 nan 8.240 nan 0.000 0.541 204 S N -0.134 115.577 115.700 0.018 0.000 2.517 204 S HA 0.203 4.673 4.470 -0.000 0.000 0.214 204 S C 0.494 175.104 174.600 0.016 0.000 0.991 204 S CA -0.235 57.974 58.200 0.017 0.000 0.906 204 S CB -0.209 62.999 63.200 0.014 0.000 0.789 204 S HN 0.626 nan 8.310 nan 0.000 0.513 205 E N 1.083 121.293 120.200 0.017 0.000 2.280 205 E HA 0.479 4.829 4.350 -0.000 0.000 0.261 205 E C -0.456 176.156 176.600 0.021 0.000 1.088 205 E CA -0.364 56.046 56.400 0.017 0.000 0.915 205 E CB 1.204 30.913 29.700 0.015 0.000 1.141 205 E HN 0.057 nan 8.360 nan 0.000 0.433 206 S N -0.458 115.255 115.700 0.021 0.000 2.526 206 S HA 0.462 4.932 4.470 -0.000 0.000 0.293 206 S C 0.309 174.924 174.600 0.025 0.000 1.092 206 S CA -0.242 57.972 58.200 0.024 0.000 0.980 206 S CB 1.523 64.736 63.200 0.022 0.000 1.048 206 S HN 0.575 nan 8.310 nan 0.000 0.483 207 A N 2.803 125.641 122.820 0.030 0.000 2.125 207 A HA -0.006 4.314 4.320 -0.000 0.000 0.219 207 A C 2.079 179.681 177.584 0.030 0.000 1.156 207 A CA 2.035 54.091 52.037 0.033 0.000 0.671 207 A CB -1.437 17.587 19.000 0.040 0.000 0.794 207 A HN 1.164 nan 8.150 nan 0.000 0.459 208 T N -1.900 112.670 114.554 0.028 0.000 2.929 208 T HA -0.153 4.197 4.350 -0.000 0.000 0.271 208 T C 1.173 175.885 174.700 0.019 0.000 1.085 208 T CA 1.698 63.813 62.100 0.025 0.000 1.125 208 T CB -0.709 68.172 68.868 0.023 0.000 0.874 208 T HN 0.656 nan 8.240 nan 0.000 0.494 209 N N 0.592 119.303 118.700 0.018 0.000 2.336 209 N HA 0.097 4.836 4.740 -0.000 0.000 0.189 209 N C 1.597 177.114 175.510 0.012 0.000 1.113 209 N CA 0.091 53.149 53.050 0.013 0.000 0.858 209 N CB 0.276 38.770 38.487 0.012 0.000 0.970 209 N HN 0.380 nan 8.380 nan 0.000 0.471 210 E N -0.017 120.192 120.200 0.015 0.000 2.290 210 E HA 0.176 4.526 4.350 -0.000 0.000 0.197 210 E C -0.319 176.288 176.600 0.012 0.000 0.948 210 E CA 0.286 56.694 56.400 0.013 0.000 0.895 210 E CB 0.812 30.524 29.700 0.020 0.000 0.865 210 E HN 0.096 nan 8.360 nan 0.000 0.486 211 L N 0.564 121.796 121.223 0.016 0.000 2.513 211 L HA 0.247 4.587 4.340 -0.000 0.000 0.261 211 L C -1.050 175.829 176.870 0.016 0.000 0.945 211 L CA -0.483 54.367 54.840 0.016 0.000 0.848 211 L CB 2.077 44.157 42.059 0.034 0.000 1.334 211 L HN -0.068 nan 8.230 nan 0.000 0.407 212 S N 3.044 118.747 115.700 0.005 0.000 2.578 212 S HA 0.939 5.409 4.470 -0.000 0.000 0.301 212 S C -1.013 173.585 174.600 -0.004 0.000 1.091 212 S CA -0.661 57.541 58.200 0.003 0.000 1.032 212 S CB 2.005 65.202 63.200 -0.005 0.000 1.064 212 S HN 0.438 nan 8.310 nan 0.000 0.508 213 V N 2.468 122.382 119.914 -0.001 0.000 2.483 213 V HA 0.706 4.826 4.120 -0.000 0.000 0.297 213 V C 0.010 176.078 176.094 -0.044 0.000 1.027 213 V CA -0.317 61.970 62.300 -0.022 0.000 0.855 213 V CB 1.476 33.334 31.823 0.059 0.000 0.995 213 V HN 1.189 nan 8.190 nan 0.000 0.424 214 T N 3.209 117.713 114.554 -0.084 0.000 2.893 214 T HA 0.791 5.141 4.350 -0.000 0.000 0.291 214 T C -0.801 173.839 174.700 -0.100 0.000 1.028 214 T CA -0.624 61.435 62.100 -0.068 0.000 0.995 214 T CB 1.701 70.543 68.868 -0.044 0.000 1.051 214 T HN 0.340 nan 8.240 nan 0.000 0.470 215 I N 2.767 123.299 120.570 -0.062 0.000 2.354 215 I HA 0.325 4.494 4.170 -0.000 0.000 0.292 215 I C 0.058 176.158 176.117 -0.028 0.000 0.989 215 I CA -0.831 60.437 61.300 -0.054 0.000 1.188 215 I CB 1.724 39.711 38.000 -0.022 0.000 1.342 215 I HN 0.705 nan 8.210 nan 0.000 0.457 216 D N 3.128 123.511 120.400 -0.027 0.000 2.327 216 D HA -0.028 4.612 4.640 -0.000 0.000 0.205 216 D C 0.482 176.782 176.300 0.000 0.000 0.989 216 D CA 0.818 54.810 54.000 -0.013 0.000 0.873 216 D CB 0.110 40.900 40.800 -0.016 0.000 0.955 216 D HN 0.546 nan 8.370 nan 0.000 0.515 217 N N 0.532 119.237 118.700 0.007 0.000 2.818 217 N HA 0.122 4.862 4.740 -0.000 0.000 0.301 217 N C -2.164 173.366 175.510 0.033 0.000 1.821 217 N CA -1.450 51.612 53.050 0.021 0.000 0.930 217 N CB 1.146 39.648 38.487 0.026 0.000 1.263 217 N HN -0.098 nan 8.380 nan 0.000 0.487 218 P HA -0.150 nan 4.420 nan 0.000 0.220 218 P C 0.833 178.160 177.300 0.044 0.000 1.144 218 P CA 1.167 64.291 63.100 0.039 0.000 0.800 218 P CB 0.557 32.278 31.700 0.034 0.000 0.772 219 E N -0.156 120.068 120.200 0.039 0.000 2.208 219 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 219 E C 1.604 178.233 176.600 0.049 0.000 0.988 219 E CA 0.939 57.362 56.400 0.039 0.000 0.828 219 E CB -0.105 29.615 29.700 0.033 0.000 0.763 219 E HN 0.229 nan 8.360 nan 0.000 0.478 220 K N -0.434 120.000 120.400 0.056 0.000 2.367 220 K HA 0.191 4.511 4.320 -0.000 0.000 0.195 220 K C 0.091 176.750 176.600 0.099 0.000 1.060 220 K CA 0.069 56.400 56.287 0.072 0.000 1.022 220 K CB 1.400 33.940 32.500 0.065 0.000 0.894 220 K HN -0.144 nan 8.250 nan 0.000 0.540 221 V N 4.034 124.000 119.914 0.086 0.000 2.465 221 V HA 0.142 4.261 4.120 -0.000 0.000 0.263 221 V C -1.987 174.145 176.094 0.063 0.000 0.981 221 V CA -1.072 61.275 62.300 0.078 0.000 0.838 221 V CB 1.746 33.627 31.823 0.096 0.000 1.068 221 V HN -0.073 nan 8.190 nan 0.000 0.458 222 P HA -0.070 nan 4.420 nan 0.000 0.226 222 P C -0.194 177.220 177.300 0.191 0.000 1.153 222 P CA 1.087 64.248 63.100 0.102 0.000 0.777 222 P CB 0.433 32.182 31.700 0.083 0.000 0.794 223 Y N -1.091 119.198 120.300 -0.019 0.000 2.519 223 Y HA 0.533 5.083 4.550 0.000 0.000 0.336 223 Y C -1.858 174.037 175.900 -0.008 0.000 1.089 223 Y CA -1.692 56.406 58.100 -0.003 0.000 1.025 223 Y CB 1.305 39.758 38.460 -0.011 0.000 1.318 223 Y HN -0.269 nan 8.280 nan 0.000 0.452 224 Y N 4.576 124.523 120.300 -0.588 0.000 2.361 224 Y HA 0.612 5.163 4.550 0.001 0.000 0.328 224 Y C -0.992 174.518 175.900 -0.650 0.000 1.044 224 Y CA -0.320 57.468 58.100 -0.519 0.000 1.085 224 Y CB 1.569 39.878 38.460 -0.250 0.000 1.194 224 Y HN 0.660 nan 8.280 nan 0.000 0.438 225 S N 3.803 119.065 115.700 -0.730 0.000 2.667 225 S HA 0.998 5.468 4.470 -0.000 0.000 0.292 225 S C -1.251 173.196 174.600 -0.255 0.000 1.126 225 S CA -0.507 57.466 58.200 -0.378 0.000 0.881 225 S CB 2.068 65.096 63.200 -0.287 0.000 1.132 225 S HN 1.224 nan 8.310 nan 0.000 0.492 226 A N 1.233 124.023 122.820 -0.049 0.000 2.437 226 A HA 0.797 5.116 4.320 -0.000 0.000 0.293 226 A C -0.561 177.052 177.584 0.048 0.000 1.038 226 A CA -0.833 51.229 52.037 0.041 0.000 0.708 226 A CB 1.311 20.392 19.000 0.135 0.000 1.251 226 A HN 0.803 nan 8.150 nan 0.000 0.409 227 R N 0.434 120.966 120.500 0.054 0.000 2.902 227 R HA 0.795 5.135 4.340 -0.000 0.000 0.258 227 R C -1.295 175.042 176.300 0.061 0.000 1.071 227 R CA -0.850 55.283 56.100 0.055 0.000 1.024 227 R CB 2.297 32.628 30.300 0.052 0.000 1.184 227 R HN 0.450 nan 8.270 nan 0.000 0.492 228 V N 1.898 121.844 119.914 0.052 0.000 2.444 228 V HA 0.366 4.486 4.120 -0.000 0.000 0.294 228 V C -0.710 175.407 176.094 0.038 0.000 1.022 228 V CA -0.728 61.600 62.300 0.048 0.000 0.850 228 V CB 1.907 33.755 31.823 0.042 0.000 0.992 228 V HN 0.399 nan 8.190 nan 0.000 0.426 229 V N 5.429 125.363 119.914 0.034 0.000 2.444 229 V HA 0.492 4.611 4.120 -0.000 0.000 0.294 229 V C 0.020 176.123 176.094 0.016 0.000 1.022 229 V CA -0.915 61.398 62.300 0.023 0.000 0.850 229 V CB 1.643 33.477 31.823 0.018 0.000 0.992 229 V HN 0.802 nan 8.190 nan 0.000 0.426 230 K N 2.783 123.190 120.400 0.012 0.000 2.139 230 K HA 0.472 4.792 4.320 -0.000 0.000 0.243 230 K C 0.240 176.840 176.600 0.001 0.000 0.983 230 K CA -0.828 55.463 56.287 0.007 0.000 0.890 230 K CB 0.633 33.137 32.500 0.007 0.000 1.090 230 K HN 0.653 nan 8.250 nan 0.000 0.445 231 N N -0.111 118.588 118.700 -0.002 0.000 2.710 231 N HA -0.163 4.577 4.740 -0.000 0.000 0.249 231 N C 0.032 175.536 175.510 -0.010 0.000 1.059 231 N CA 0.961 54.008 53.050 -0.005 0.000 0.720 231 N CB -1.906 36.578 38.487 -0.005 0.000 0.983 231 N HN 0.507 nan 8.380 nan 0.000 0.544 232 V N -2.742 117.166 119.914 -0.010 0.000 2.963 232 V HA 0.456 4.576 4.120 -0.000 0.000 0.306 232 V C 0.845 176.928 176.094 -0.018 0.000 1.077 232 V CA -0.261 62.028 62.300 -0.018 0.000 1.124 232 V CB 1.751 33.563 31.823 -0.019 0.000 0.987 232 V HN 0.224 nan 8.190 nan 0.000 0.487 233 S N 3.947 119.631 115.700 -0.027 0.000 2.707 233 S HA 0.626 5.096 4.470 -0.000 0.000 0.312 233 S C -0.453 174.126 174.600 -0.036 0.000 1.116 233 S CA -0.643 57.541 58.200 -0.027 0.000 1.078 233 S CB 0.468 63.652 63.200 -0.027 0.000 0.997 233 S HN 0.704 nan 8.310 nan 0.000 0.477 234 I N 4.140 124.691 120.570 -0.031 0.000 2.696 234 I HA 0.398 4.568 4.170 -0.000 0.000 0.284 234 I C 0.391 176.480 176.117 -0.046 0.000 1.129 234 I CA 0.457 61.733 61.300 -0.039 0.000 1.410 234 I CB 0.696 38.677 38.000 -0.031 0.000 1.399 234 I HN 0.727 nan 8.210 nan 0.000 0.579 235 E N 6.596 126.762 120.200 -0.058 0.000 2.418 235 E HA 0.217 4.567 4.350 -0.000 0.000 0.283 235 E C -2.947 173.604 176.600 -0.082 0.000 1.178 235 E CA -1.257 55.104 56.400 -0.065 0.000 0.929 235 E CB 1.053 30.718 29.700 -0.059 0.000 1.177 235 E HN 0.098 nan 8.360 nan 0.000 0.429 236 P HA 0.096 nan 4.420 nan 0.000 0.269 236 P C -0.604 176.620 177.300 -0.126 0.000 1.209 236 P CA -0.077 62.966 63.100 -0.095 0.000 0.776 236 P CB 0.835 32.490 31.700 -0.076 0.000 0.876 237 S N 3.749 119.350 115.700 -0.165 0.000 2.584 237 S HA 0.250 4.720 4.470 -0.000 0.000 0.270 237 S C -1.839 172.576 174.600 -0.308 0.000 1.346 237 S CA -0.682 57.352 58.200 -0.277 0.000 1.018 237 S CB -0.664 62.330 63.200 -0.344 0.000 0.899 237 S HN 0.450 nan 8.310 nan 0.000 0.542 238 P HA 0.201 nan 4.420 nan 0.000 0.274 238 P C 0.837 177.837 177.300 -0.500 0.000 1.260 238 P CA -0.514 62.316 63.100 -0.449 0.000 0.793 238 P CB 0.394 31.730 31.700 -0.606 0.000 1.048 239 I N -0.016 120.394 120.570 -0.267 0.000 2.546 239 I HA -0.108 4.061 4.170 -0.000 0.000 0.255 239 I C 2.096 178.060 176.117 -0.255 0.000 1.163 239 I CA 0.546 61.771 61.300 -0.126 0.000 1.457 239 I CB -1.385 36.679 38.000 0.107 0.000 1.092 239 I HN 0.534 nan 8.210 nan 0.000 0.434 240 W N -0.203 120.811 121.300 -0.478 0.000 2.467 240 W HA -0.007 4.653 4.660 0.000 0.000 0.275 240 W C 1.823 178.045 176.519 -0.495 0.000 1.239 240 W CA 0.622 57.465 57.345 -0.836 0.000 1.266 240 W CB -1.505 27.160 29.460 -1.325 0.000 1.112 240 W HN -0.112 nan 8.180 nan 0.000 0.576 241 V N 2.460 121.806 119.914 -0.947 0.000 2.244 241 V HA -0.318 3.802 4.120 -0.000 0.000 0.244 241 V C 2.824 178.709 176.094 -0.348 0.000 1.042 241 V CA 2.519 64.362 62.300 -0.761 0.000 1.006 241 V CB -1.145 30.053 31.823 -1.041 0.000 0.641 241 V HN 0.137 nan 8.190 nan 0.000 0.446 242 Q N 0.130 119.748 119.800 -0.305 0.000 2.112 242 Q HA -0.229 4.110 4.340 -0.000 0.000 0.206 242 Q C 2.388 178.324 176.000 -0.107 0.000 0.987 242 Q CA 1.904 57.620 55.803 -0.146 0.000 0.858 242 Q CB -0.486 28.206 28.738 -0.077 0.000 0.905 242 Q HN 0.678 nan 8.270 nan 0.000 0.420 243 A N 1.645 124.393 122.820 -0.121 0.000 1.855 243 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 243 A C 2.084 179.611 177.584 -0.096 0.000 1.191 243 A CA 1.328 53.310 52.037 -0.092 0.000 0.613 243 A CB -0.453 18.537 19.000 -0.016 0.000 0.829 243 A HN 0.226 nan 8.150 nan 0.000 0.442 244 R N -0.357 120.079 120.500 -0.107 0.000 2.091 244 R HA -0.103 4.237 4.340 -0.000 0.000 0.238 244 R C 2.086 178.370 176.300 -0.026 0.000 1.136 244 R CA 1.549 57.576 56.100 -0.121 0.000 0.959 244 R CB -0.674 29.279 30.300 -0.578 0.000 0.856 244 R HN 0.501 nan 8.270 nan 0.000 0.437 245 L N 0.480 121.684 121.223 -0.033 0.000 2.012 245 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 245 L C 2.508 179.391 176.870 0.020 0.000 1.073 245 L CA 1.352 56.211 54.840 0.031 0.000 0.748 245 L CB -0.458 41.612 42.059 0.020 0.000 0.891 245 L HN 0.194 nan 8.230 nan 0.000 0.431 246 I N -0.038 120.518 120.570 -0.023 0.000 2.163 246 I HA -0.326 3.843 4.170 -0.000 0.000 0.243 246 I C 2.235 178.322 176.117 -0.050 0.000 1.085 246 I CA 1.549 62.830 61.300 -0.033 0.000 1.347 246 I CB -0.216 37.742 38.000 -0.070 0.000 1.044 246 I HN 0.219 nan 8.210 nan 0.000 0.408 247 K N 0.559 120.880 120.400 -0.132 0.000 2.555 247 K HA 0.023 4.343 4.320 -0.000 0.000 0.193 247 K C 1.161 177.789 176.600 0.048 0.000 1.032 247 K CA 0.715 56.892 56.287 -0.183 0.000 1.004 247 K CB 0.041 32.371 32.500 -0.282 0.000 0.804 247 K HN 0.304 nan 8.250 nan 0.000 0.496 248 A N 0.140 123.004 122.820 0.073 0.000 2.538 248 A HA 0.356 4.676 4.320 -0.000 0.000 0.269 248 A C 1.004 178.630 177.584 0.070 0.000 1.231 248 A CA 0.251 52.341 52.037 0.088 0.000 0.948 248 A CB 0.196 19.274 19.000 0.130 0.000 1.110 248 A HN 0.270 nan 8.150 nan 0.000 0.529 249 G N -0.074 108.771 108.800 0.076 0.000 2.160 249 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.244 249 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.244 249 G C -0.089 174.843 174.900 0.052 0.000 1.022 249 G CA 0.485 45.624 45.100 0.066 0.000 0.741 249 G HN 0.547 nan 8.290 nan 0.000 0.508 250 I N -0.068 120.532 120.570 0.050 0.000 2.436 250 I HA 0.372 4.541 4.170 -0.000 0.000 0.289 250 I C 0.678 176.816 176.117 0.035 0.000 1.010 250 I CA -1.013 60.313 61.300 0.044 0.000 1.098 250 I CB 1.808 39.839 38.000 0.052 0.000 1.266 250 I HN 0.056 nan 8.210 nan 0.000 0.434 251 R N 7.125 127.643 120.500 0.031 0.000 2.316 251 R HA 0.305 4.645 4.340 -0.000 0.000 0.314 251 R C -2.398 173.912 176.300 0.017 0.000 1.069 251 R CA -1.342 54.774 56.100 0.027 0.000 0.959 251 R CB 0.735 31.050 30.300 0.026 0.000 0.987 251 R HN 0.240 nan 8.270 nan 0.000 0.446 252 P HA -0.094 nan 4.420 nan 0.000 0.264 252 P C 0.002 177.295 177.300 -0.012 0.000 1.183 252 P CA 0.203 63.300 63.100 -0.006 0.000 0.763 252 P CB 0.562 32.263 31.700 0.002 0.000 0.807 253 I N 1.075 121.627 120.570 -0.029 0.000 3.746 253 I HA 0.174 4.344 4.170 -0.000 0.000 0.262 253 I C 0.487 176.572 176.117 -0.053 0.000 1.153 253 I CA 0.779 62.058 61.300 -0.035 0.000 1.395 253 I CB -0.533 37.452 38.000 -0.025 0.000 1.589 253 I HN 0.469 nan 8.210 nan 0.000 0.441 254 N N -0.084 118.580 118.700 -0.059 0.000 3.185 254 N HA 0.050 4.790 4.740 -0.000 0.000 0.238 254 N C 0.008 175.466 175.510 -0.087 0.000 1.451 254 N CA -0.305 52.701 53.050 -0.073 0.000 0.888 254 N CB 0.231 38.681 38.487 -0.061 0.000 1.413 254 N HN -0.104 nan 8.380 nan 0.000 0.511 255 N N 0.045 118.684 118.700 -0.103 0.000 2.036 255 N HA -0.209 4.531 4.740 -0.000 0.000 0.195 255 N C 1.187 176.635 175.510 -0.102 0.000 1.037 255 N CA 2.313 55.285 53.050 -0.128 0.000 0.855 255 N CB -1.062 37.344 38.487 -0.135 0.000 1.033 255 N HN 0.322 nan 8.380 nan 0.000 0.423 256 V N 0.559 120.428 119.914 -0.074 0.000 2.295 256 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 256 V C 2.659 178.724 176.094 -0.048 0.000 1.049 256 V CA 1.443 63.709 62.300 -0.057 0.000 1.024 256 V CB -0.648 31.147 31.823 -0.046 0.000 0.648 256 V HN 0.208 nan 8.190 nan 0.000 0.447 257 V N 0.320 120.207 119.914 -0.045 0.000 2.343 257 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 257 V C 2.305 178.391 176.094 -0.014 0.000 1.051 257 V CA 2.246 64.528 62.300 -0.030 0.000 1.036 257 V CB -0.734 31.073 31.823 -0.027 0.000 0.654 257 V HN 0.554 nan 8.190 nan 0.000 0.451 258 D N -0.070 120.309 120.400 -0.035 0.000 2.144 258 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 258 D C 2.009 178.315 176.300 0.010 0.000 0.984 258 D CA 1.263 55.245 54.000 -0.029 0.000 0.834 258 D CB -0.247 40.491 40.800 -0.103 0.000 0.955 258 D HN 0.411 nan 8.370 nan 0.000 0.465 259 I N 1.010 121.564 120.570 -0.028 0.000 2.286 259 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 259 I C 2.435 178.616 176.117 0.106 0.000 1.115 259 I CA 1.266 62.579 61.300 0.022 0.000 1.392 259 I CB -0.187 37.800 38.000 -0.022 0.000 1.065 259 I HN 0.015 nan 8.210 nan 0.000 0.418 260 S N 0.551 116.290 115.700 0.065 0.000 2.406 260 S HA -0.109 4.361 4.470 -0.000 0.000 0.228 260 S C 1.820 176.483 174.600 0.106 0.000 1.020 260 S CA 0.937 59.183 58.200 0.077 0.000 0.965 260 S CB -0.391 62.830 63.200 0.036 0.000 0.798 260 S HN 0.394 nan 8.310 nan 0.000 0.488 261 N N 0.619 119.384 118.700 0.107 0.000 2.171 261 N HA -0.006 4.734 4.740 -0.000 0.000 0.184 261 N C 1.454 177.068 175.510 0.174 0.000 1.021 261 N CA 1.339 54.458 53.050 0.114 0.000 0.854 261 N CB -0.697 37.843 38.487 0.089 0.000 0.994 261 N HN 0.612 nan 8.380 nan 0.000 0.426 262 Y N 1.734 122.083 120.300 0.082 0.000 2.145 262 Y HA -0.157 4.392 4.550 -0.001 0.000 0.286 262 Y C 2.224 178.270 175.900 0.243 0.000 1.145 262 Y CA 1.274 59.466 58.100 0.153 0.000 1.148 262 Y CB -0.176 38.313 38.460 0.048 0.000 0.981 262 Y HN -0.215 nan 8.280 nan 0.000 0.507 263 V N 0.379 120.528 119.914 0.391 0.000 2.548 263 V HA -0.259 3.861 4.120 -0.000 0.000 0.249 263 V C 2.327 178.537 176.094 0.192 0.000 1.055 263 V CA 1.507 64.009 62.300 0.337 0.000 1.065 263 V CB -0.758 31.233 31.823 0.279 0.000 0.681 263 V HN 0.554 nan 8.190 nan 0.000 0.462 264 L N -0.236 121.064 121.223 0.128 0.000 2.042 264 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 264 L C 2.168 179.044 176.870 0.010 0.000 1.076 264 L CA 2.067 56.939 54.840 0.053 0.000 0.749 264 L CB -0.442 41.638 42.059 0.035 0.000 0.893 264 L HN 0.199 nan 8.230 nan 0.000 0.432 265 L N -0.681 120.551 121.223 0.015 0.000 2.109 265 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 265 L C 2.634 179.368 176.870 -0.227 0.000 1.086 265 L CA 1.498 56.291 54.840 -0.077 0.000 0.760 265 L CB -0.551 41.526 42.059 0.029 0.000 0.910 265 L HN 0.442 nan 8.230 nan 0.000 0.437 266 E N -0.341 119.775 120.200 -0.139 0.000 2.051 266 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 266 E C 1.664 178.006 176.600 -0.429 0.000 0.991 266 E CA 1.621 57.864 56.400 -0.263 0.000 0.799 266 E CB 0.063 29.820 29.700 0.096 0.000 0.748 266 E HN 0.458 nan 8.360 nan 0.000 0.449 267 Y N -1.822 118.329 120.300 -0.250 0.000 2.430 267 Y HA 0.265 4.814 4.550 -0.001 0.000 0.248 267 Y C 1.216 176.956 175.900 -0.267 0.000 1.108 267 Y CA 0.339 58.217 58.100 -0.370 0.000 1.264 267 Y CB 1.803 40.080 38.460 -0.306 0.000 1.172 267 Y HN 0.234 nan 8.280 nan 0.000 0.520 268 G N 0.904 109.677 108.800 -0.045 0.000 2.136 268 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.242 268 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.242 268 G C -0.024 174.846 174.900 -0.050 0.000 0.989 268 G CA 0.311 45.379 45.100 -0.053 0.000 0.682 268 G HN 0.292 nan 8.290 nan 0.000 0.522 269 Q N 0.603 120.393 119.800 -0.017 0.000 2.348 269 Q HA 0.636 4.976 4.340 -0.000 0.000 0.265 269 Q C -2.654 173.302 176.000 -0.074 0.000 0.998 269 Q CA -2.397 53.376 55.803 -0.051 0.000 0.831 269 Q CB 1.914 30.667 28.738 0.025 0.000 1.251 269 Q HN 0.179 nan 8.270 nan 0.000 0.456 270 P HA 0.102 nan 4.420 nan 0.000 0.267 270 P C -1.040 176.311 177.300 0.086 0.000 1.205 270 P CA 0.244 63.293 63.100 -0.086 0.000 0.765 270 P CB 0.526 32.072 31.700 -0.256 0.000 0.828 271 L N 2.709 123.993 121.223 0.102 0.000 2.322 271 L HA 0.537 4.877 4.340 -0.000 0.000 0.269 271 L C 0.427 177.390 176.870 0.154 0.000 1.012 271 L CA -0.768 54.142 54.840 0.115 0.000 0.815 271 L CB 1.589 43.687 42.059 0.066 0.000 1.295 271 L HN 0.460 nan 8.230 nan 0.000 0.438 272 H N 3.114 122.167 119.070 -0.028 0.000 2.609 272 H HA 0.427 4.983 4.556 0.001 0.000 0.344 272 H C -1.275 173.893 175.328 -0.266 0.000 1.040 272 H CA -0.986 54.956 56.048 -0.178 0.000 1.216 272 H CB 1.735 31.327 29.762 -0.282 0.000 1.529 272 H HN 0.404 nan 8.280 nan 0.000 0.519 273 M N 5.742 124.966 119.600 -0.627 0.000 2.084 273 M HA 0.172 4.651 4.480 -0.000 0.000 0.351 273 M C -1.103 174.751 176.300 -0.745 0.000 1.240 273 M CA -0.312 54.702 55.300 -0.477 0.000 1.083 273 M CB -0.054 32.401 32.600 -0.242 0.000 1.593 273 M HN 0.352 nan 8.290 nan 0.000 0.463 274 F N 1.346 121.142 119.950 -0.257 0.000 2.394 274 F HA 0.195 4.721 4.527 -0.003 0.000 0.340 274 F C 1.095 176.866 175.800 -0.048 0.000 1.105 274 F CA -0.689 57.228 58.000 -0.139 0.000 1.124 274 F CB 0.456 39.444 39.000 -0.019 0.000 1.145 274 F HN 0.476 nan 8.300 nan 0.000 0.505 275 D N 3.142 123.657 120.400 0.191 0.000 2.368 275 D HA -0.083 4.557 4.640 -0.000 0.000 0.268 275 D C 1.041 177.430 176.300 0.148 0.000 1.298 275 D CA 0.423 54.522 54.000 0.165 0.000 0.938 275 D CB 0.743 41.680 40.800 0.229 0.000 1.101 275 D HN 0.767 nan 8.370 nan 0.000 0.509 276 Q N 3.169 123.022 119.800 0.088 0.000 2.170 276 Q HA -0.161 4.179 4.340 -0.000 0.000 0.203 276 Q C 0.458 176.456 176.000 -0.004 0.000 0.976 276 Q CA 1.080 56.915 55.803 0.053 0.000 0.858 276 Q CB 0.298 29.058 28.738 0.036 0.000 0.907 276 Q HN 0.476 nan 8.270 nan 0.000 0.433 277 D N -0.515 119.844 120.400 -0.069 0.000 2.347 277 D HA -0.084 4.556 4.640 -0.000 0.000 0.215 277 D C 0.533 176.596 176.300 -0.395 0.000 0.976 277 D CA 0.774 54.636 54.000 -0.231 0.000 0.884 277 D CB 0.187 40.805 40.800 -0.302 0.000 0.915 277 D HN 0.411 nan 8.370 nan 0.000 0.526 278 H N -0.517 118.621 119.070 0.114 0.000 2.567 278 H HA 0.256 4.812 4.556 -0.001 0.000 0.267 278 H C 1.876 177.366 175.328 0.270 0.000 1.148 278 H CA -0.233 55.926 56.048 0.185 0.000 1.031 278 H CB 0.797 30.692 29.762 0.223 0.000 1.691 278 H HN 0.118 nan 8.280 nan 0.000 0.588 279 I N 0.258 120.953 120.570 0.209 0.000 2.179 279 I HA -0.182 3.987 4.170 -0.000 0.000 0.242 279 I C 1.877 178.132 176.117 0.230 0.000 1.088 279 I CA 1.940 63.319 61.300 0.130 0.000 1.357 279 I CB 0.086 38.062 38.000 -0.042 0.000 1.051 279 I HN 0.486 nan 8.210 nan 0.000 0.409 280 G N 0.594 109.475 108.800 0.135 0.000 2.154 280 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.186 280 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.186 280 G C 0.285 175.203 174.900 0.029 0.000 1.000 280 G CA 0.159 45.309 45.100 0.083 0.000 0.664 280 G HN 0.734 nan 8.290 nan 0.000 0.513 281 S N -2.255 113.453 115.700 0.013 0.000 2.660 281 S HA 0.592 5.062 4.470 -0.000 0.000 0.264 281 S C -0.193 174.397 174.600 -0.017 0.000 1.131 281 S CA 0.201 58.397 58.200 -0.007 0.000 0.846 281 S CB 0.865 64.059 63.200 -0.009 0.000 1.151 281 S HN 0.463 nan 8.310 nan 0.000 0.486 282 K N 1.234 121.623 120.400 -0.018 0.000 2.437 282 K HA 0.292 4.612 4.320 -0.000 0.000 0.205 282 K C -0.216 176.371 176.600 -0.022 0.000 1.026 282 K CA 0.027 56.304 56.287 -0.017 0.000 1.153 282 K CB 0.062 32.555 32.500 -0.011 0.000 0.863 282 K HN 0.583 nan 8.250 nan 0.000 0.502 283 E N 0.395 120.574 120.200 -0.034 0.000 2.260 283 E HA 0.201 4.551 4.350 -0.000 0.000 0.266 283 E C -1.109 175.450 176.600 -0.069 0.000 0.887 283 E CA -0.653 55.722 56.400 -0.041 0.000 0.777 283 E CB 1.291 30.971 29.700 -0.033 0.000 1.205 283 E HN -0.000 nan 8.360 nan 0.000 0.414 284 I N 3.313 123.833 120.570 -0.082 0.000 2.321 284 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 284 I C -0.599 175.422 176.117 -0.161 0.000 0.998 284 I CA -0.993 60.225 61.300 -0.137 0.000 1.227 284 I CB 1.688 39.610 38.000 -0.129 0.000 1.368 284 I HN 0.402 nan 8.210 nan 0.000 0.466 285 V N 7.326 127.149 119.914 -0.152 0.000 2.398 285 V HA 0.385 4.505 4.120 -0.000 0.000 0.286 285 V C 0.039 176.024 176.094 -0.182 0.000 1.026 285 V CA -0.781 61.432 62.300 -0.146 0.000 0.868 285 V CB 1.536 33.308 31.823 -0.085 0.000 0.982 285 V HN 0.357 nan 8.190 nan 0.000 0.443 286 V N 6.097 125.882 119.914 -0.214 0.000 2.472 286 V HA 0.795 4.915 4.120 -0.000 0.000 0.290 286 V C 0.136 176.190 176.094 -0.067 0.000 1.037 286 V CA -0.541 61.665 62.300 -0.156 0.000 0.908 286 V CB 1.233 32.943 31.823 -0.188 0.000 0.985 286 V HN 1.123 nan 8.190 nan 0.000 0.454 287 R N 2.481 122.961 120.500 -0.033 0.000 2.728 287 R HA 0.495 4.835 4.340 -0.000 0.000 0.274 287 R C -1.538 174.756 176.300 -0.010 0.000 1.030 287 R CA -1.046 55.043 56.100 -0.019 0.000 0.876 287 R CB 1.196 31.480 30.300 -0.026 0.000 1.259 287 R HN 0.415 nan 8.270 nan 0.000 0.468 288 Q N 0.518 120.315 119.800 -0.005 0.000 2.354 288 Q HA 0.372 4.711 4.340 -0.000 0.000 0.244 288 Q C -0.162 175.832 176.000 -0.011 0.000 0.969 288 Q CA 0.071 55.871 55.803 -0.005 0.000 0.885 288 Q CB 1.419 30.158 28.738 0.002 0.000 1.241 288 Q HN 0.684 nan 8.270 nan 0.000 0.461 289 A N 2.753 125.565 122.820 -0.014 0.000 2.524 289 A HA 0.074 4.393 4.320 -0.000 0.000 0.250 289 A C 0.016 177.596 177.584 -0.007 0.000 1.078 289 A CA -0.157 51.873 52.037 -0.012 0.000 0.761 289 A CB -0.120 18.871 19.000 -0.014 0.000 1.012 289 A HN 0.569 nan 8.150 nan 0.000 0.500 290 K N 2.090 122.487 120.400 -0.005 0.000 2.591 290 K HA -0.047 4.273 4.320 -0.000 0.000 0.280 290 K C -0.059 176.539 176.600 -0.003 0.000 0.964 290 K CA 0.296 56.581 56.287 -0.003 0.000 1.014 290 K CB 0.256 32.755 32.500 -0.002 0.000 0.877 290 K HN 0.802 nan 8.250 nan 0.000 0.502 291 D N 1.623 122.021 120.400 -0.003 0.000 2.399 291 D HA -0.038 4.602 4.640 -0.000 0.000 0.241 291 D C -0.142 176.157 176.300 -0.003 0.000 1.133 291 D CA 0.456 54.454 54.000 -0.004 0.000 0.890 291 D CB 0.480 41.278 40.800 -0.004 0.000 1.201 291 D HN 0.631 nan 8.370 nan 0.000 0.432 292 E N -0.527 119.671 120.200 -0.003 0.000 3.370 292 E HA -0.302 4.048 4.350 -0.000 0.000 0.291 292 E C -0.464 176.136 176.600 -0.000 0.000 0.916 292 E CA 0.693 57.092 56.400 -0.002 0.000 0.981 292 E CB -0.973 28.726 29.700 -0.002 0.000 1.498 292 E HN 0.658 nan 8.360 nan 0.000 0.452 293 E N 0.695 120.895 120.200 -0.001 0.000 2.413 293 E HA 0.101 4.451 4.350 -0.000 0.000 0.263 293 E C -0.446 176.156 176.600 0.004 0.000 1.015 293 E CA 0.533 56.934 56.400 0.002 0.000 0.916 293 E CB 0.775 30.475 29.700 0.000 0.000 0.947 293 E HN -0.039 nan 8.360 nan 0.000 0.440 294 T N 4.537 119.097 114.554 0.009 0.000 2.888 294 T HA 0.574 4.924 4.350 -0.000 0.000 0.284 294 T C -0.423 174.290 174.700 0.022 0.000 1.017 294 T CA -0.602 61.506 62.100 0.013 0.000 1.022 294 T CB 0.861 69.738 68.868 0.015 0.000 1.013 294 T HN 0.607 nan 8.240 nan 0.000 0.465 295 M N 0.290 119.903 119.600 0.021 0.000 2.721 295 M HA 0.717 5.196 4.480 -0.000 0.000 0.271 295 M C -1.574 174.743 176.300 0.029 0.000 1.259 295 M CA -0.693 54.627 55.300 0.034 0.000 0.835 295 M CB 2.187 34.798 32.600 0.018 0.000 1.689 295 M HN 0.338 nan 8.290 nan 0.000 0.470 296 T N 1.742 116.321 114.554 0.041 0.000 2.864 296 T HA 0.492 4.842 4.350 -0.000 0.000 0.299 296 T C -0.062 174.648 174.700 0.017 0.000 1.011 296 T CA -0.495 61.625 62.100 0.033 0.000 0.975 296 T CB 1.207 70.106 68.868 0.052 0.000 0.962 296 T HN 0.863 nan 8.240 nan 0.000 0.448 297 T N 1.105 115.660 114.554 0.001 0.000 2.652 297 T HA 0.239 4.589 4.350 -0.000 0.000 0.319 297 T C 1.683 176.382 174.700 -0.002 0.000 1.029 297 T CA -0.538 61.555 62.100 -0.012 0.000 0.990 297 T CB 0.217 69.075 68.868 -0.018 0.000 1.098 297 T HN 0.390 nan 8.240 nan 0.000 0.520 298 L N -1.737 119.484 121.223 -0.004 0.000 2.307 298 L HA 0.281 4.621 4.340 -0.000 0.000 0.211 298 L C 1.771 178.646 176.870 0.008 0.000 1.099 298 L CA 0.952 55.796 54.840 0.006 0.000 0.816 298 L CB -1.320 40.747 42.059 0.012 0.000 0.952 298 L HN 0.442 nan 8.230 nan 0.000 0.455 299 D N 1.612 122.015 120.400 0.005 0.000 2.565 299 D HA -0.336 4.304 4.640 -0.000 0.000 0.189 299 D C 1.026 177.331 176.300 0.008 0.000 1.052 299 D CA 2.176 56.179 54.000 0.005 0.000 0.889 299 D CB -0.216 40.585 40.800 0.002 0.000 0.911 299 D HN 0.669 nan 8.370 nan 0.000 0.464 300 N N -1.777 116.930 118.700 0.012 0.000 2.997 300 N HA -0.145 4.595 4.740 -0.000 0.000 0.214 300 N C -1.098 174.420 175.510 0.014 0.000 0.904 300 N CA 0.362 53.422 53.050 0.016 0.000 1.021 300 N CB -1.307 37.188 38.487 0.014 0.000 1.040 300 N HN 0.264 nan 8.380 nan 0.000 0.573 301 N N 2.236 120.941 118.700 0.010 0.000 2.444 301 N HA 0.120 4.860 4.740 -0.000 0.000 0.271 301 N C 0.212 175.727 175.510 0.009 0.000 1.069 301 N CA 0.145 53.199 53.050 0.008 0.000 0.965 301 N CB 1.155 39.645 38.487 0.004 0.000 1.092 301 N HN 0.293 nan 8.380 nan 0.000 0.476 302 E N 1.736 121.943 120.200 0.011 0.000 2.404 302 E HA 0.114 4.463 4.350 -0.000 0.000 0.261 302 E C -0.491 176.113 176.600 0.006 0.000 1.074 302 E CA -0.249 56.158 56.400 0.012 0.000 0.917 302 E CB 0.595 30.303 29.700 0.014 0.000 0.965 302 E HN 0.247 nan 8.360 nan 0.000 0.433 303 R N 3.077 123.579 120.500 0.004 0.000 2.532 303 R HA 0.283 4.623 4.340 -0.000 0.000 0.297 303 R C -1.104 175.196 176.300 -0.001 0.000 0.984 303 R CA -0.799 55.300 56.100 -0.001 0.000 0.884 303 R CB 1.555 31.850 30.300 -0.008 0.000 1.182 303 R HN 0.437 nan 8.270 nan 0.000 0.442 304 K N 2.970 123.369 120.400 -0.002 0.000 2.201 304 K HA 0.469 4.789 4.320 -0.000 0.000 0.278 304 K C -0.089 176.507 176.600 -0.006 0.000 1.027 304 K CA -0.324 55.961 56.287 -0.002 0.000 0.909 304 K CB 1.272 33.770 32.500 -0.002 0.000 1.062 304 K HN 0.246 nan 8.250 nan 0.000 0.465 305 L N 3.770 124.989 121.223 -0.006 0.000 2.341 305 L HA 0.425 4.765 4.340 -0.000 0.000 0.278 305 L C -0.069 176.796 176.870 -0.008 0.000 1.005 305 L CA -1.253 53.581 54.840 -0.010 0.000 0.818 305 L CB 1.762 43.814 42.059 -0.012 0.000 1.259 305 L HN 0.503 nan 8.230 nan 0.000 0.418 306 V N -0.712 119.197 119.914 -0.009 0.000 2.973 306 V HA 0.303 4.423 4.120 -0.000 0.000 0.314 306 V C 0.642 176.732 176.094 -0.006 0.000 1.066 306 V CA -0.581 61.714 62.300 -0.008 0.000 1.021 306 V CB 1.350 33.167 31.823 -0.009 0.000 1.076 306 V HN 0.851 nan 8.190 nan 0.000 0.462 307 D N -0.057 120.340 120.400 -0.005 0.000 2.378 307 D HA -0.101 4.538 4.640 -0.000 0.000 0.227 307 D C 1.341 177.642 176.300 0.002 0.000 1.012 307 D CA 1.131 55.130 54.000 -0.002 0.000 0.905 307 D CB -0.514 40.285 40.800 -0.001 0.000 0.895 307 D HN 0.851 nan 8.370 nan 0.000 0.532 308 T N -4.120 110.437 114.554 0.004 0.000 3.069 308 T HA 0.070 4.419 4.350 -0.000 0.000 0.252 308 T C 0.192 174.898 174.700 0.011 0.000 1.053 308 T CA -0.612 61.497 62.100 0.015 0.000 0.964 308 T CB -0.032 68.852 68.868 0.028 0.000 1.005 308 T HN -0.135 nan 8.240 nan 0.000 0.532 309 D N 1.908 122.305 120.400 -0.005 0.000 2.350 309 D HA 0.374 5.014 4.640 -0.000 0.000 0.249 309 D C -0.011 176.265 176.300 -0.038 0.000 1.119 309 D CA -0.356 53.628 54.000 -0.027 0.000 0.886 309 D CB 1.121 41.901 40.800 -0.034 0.000 1.195 309 D HN 0.350 nan 8.370 nan 0.000 0.437 310 I N 1.601 122.129 120.570 -0.071 0.000 2.365 310 I HA 0.184 4.353 4.170 -0.000 0.000 0.291 310 I C 0.263 176.307 176.117 -0.121 0.000 1.004 310 I CA -0.715 60.537 61.300 -0.080 0.000 1.311 310 I CB 1.177 39.130 38.000 -0.078 0.000 1.401 310 I HN 0.072 nan 8.210 nan 0.000 0.491 311 V N 4.750 124.619 119.914 -0.074 0.000 2.680 311 V HA 0.564 4.684 4.120 -0.000 0.000 0.309 311 V C -0.239 175.831 176.094 -0.040 0.000 1.052 311 V CA -0.925 61.334 62.300 -0.069 0.000 0.908 311 V CB 1.863 33.661 31.823 -0.042 0.000 1.001 311 V HN 0.378 nan 8.190 nan 0.000 0.431 312 I N 3.214 123.778 120.570 -0.011 0.000 2.441 312 I HA 0.557 4.727 4.170 -0.000 0.000 0.287 312 I C 0.545 176.647 176.117 -0.024 0.000 1.049 312 I CA 0.677 61.984 61.300 0.011 0.000 1.381 312 I CB 0.967 39.075 38.000 0.179 0.000 1.409 312 I HN 0.980 nan 8.210 nan 0.000 0.523 313 S N 4.201 119.862 115.700 -0.066 0.000 2.599 313 S HA 0.451 4.921 4.470 -0.000 0.000 0.287 313 S C 0.274 174.827 174.600 -0.078 0.000 1.105 313 S CA -0.747 57.424 58.200 -0.048 0.000 0.899 313 S CB 1.369 64.548 63.200 -0.036 0.000 1.100 313 S HN 0.682 nan 8.310 nan 0.000 0.482 314 N N 1.344 120.020 118.700 -0.040 0.000 2.295 314 N HA 0.309 5.049 4.740 -0.000 0.000 0.221 314 N C 1.065 176.558 175.510 -0.029 0.000 1.129 314 N CA 0.485 53.508 53.050 -0.046 0.000 0.836 314 N CB 0.289 38.777 38.487 0.002 0.000 1.040 314 N HN 1.104 nan 8.380 nan 0.000 0.494 315 G N -0.668 108.113 108.800 -0.030 0.000 2.258 315 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.233 315 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.233 315 G C 0.932 175.827 174.900 -0.009 0.000 1.006 315 G CA 0.459 45.545 45.100 -0.022 0.000 0.620 315 G HN 0.356 nan 8.290 nan 0.000 0.511 316 Q N 0.165 119.968 119.800 0.005 0.000 2.586 316 Q HA 0.291 4.631 4.340 -0.000 0.000 0.243 316 Q C 0.893 176.909 176.000 0.028 0.000 0.846 316 Q CA 1.701 57.512 55.803 0.013 0.000 0.959 316 Q CB 0.773 29.518 28.738 0.013 0.000 1.227 316 Q HN 0.891 nan 8.270 nan 0.000 0.611 317 E N -0.249 119.983 120.200 0.054 0.000 2.390 317 E HA 0.481 4.831 4.350 -0.000 0.000 0.280 317 E C -2.902 173.748 176.600 0.083 0.000 0.992 317 E CA -2.312 54.134 56.400 0.076 0.000 0.790 317 E CB 1.634 31.405 29.700 0.118 0.000 1.248 317 E HN -0.250 nan 8.360 nan 0.000 0.447 318 P HA 0.001 nan 4.420 nan 0.000 0.262 318 P C 0.215 177.530 177.300 0.024 0.000 1.182 318 P CA 0.265 63.383 63.100 0.031 0.000 0.761 318 P CB 0.282 31.992 31.700 0.015 0.000 0.795 319 I N 0.272 120.823 120.570 -0.031 0.000 4.227 319 I HA 0.651 4.821 4.170 -0.000 0.000 0.334 319 I C 0.144 176.276 176.117 0.025 0.000 1.341 319 I CA -0.260 60.953 61.300 -0.144 0.000 1.123 319 I CB 0.567 38.469 38.000 -0.163 0.000 1.097 319 I HN 0.179 nan 8.210 nan 0.000 0.399 320 A N 1.457 124.307 122.820 0.049 0.000 2.594 320 A HA 0.515 4.834 4.320 -0.000 0.000 0.296 320 A C -1.464 176.084 177.584 -0.061 0.000 1.056 320 A CA -0.464 51.583 52.037 0.016 0.000 0.693 320 A CB 1.349 20.391 19.000 0.070 0.000 1.278 320 A HN 0.199 nan 8.150 nan 0.000 0.408 321 L N 2.713 123.865 121.223 -0.119 0.000 2.363 321 L HA 0.444 4.784 4.340 -0.000 0.000 0.286 321 L C 0.943 177.643 176.870 -0.284 0.000 1.106 321 L CA -0.114 54.629 54.840 -0.163 0.000 0.859 321 L CB 0.361 42.343 42.059 -0.127 0.000 1.223 321 L HN 1.002 nan 8.230 nan 0.000 0.446 322 A N 3.297 125.886 122.820 -0.386 0.000 2.546 322 A HA 0.393 4.712 4.320 -0.000 0.000 0.243 322 A C 1.349 178.299 177.584 -1.057 0.000 1.063 322 A CA 0.667 52.246 52.037 -0.763 0.000 0.757 322 A CB 0.129 18.556 19.000 -0.955 0.000 0.991 322 A HN 1.193 nan 8.150 nan 0.000 0.503 323 G N 0.803 108.994 108.800 -1.016 0.000 2.189 323 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.267 323 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.267 323 G C 0.656 175.472 174.900 -0.140 0.000 0.975 323 G CA 0.989 45.736 45.100 -0.589 0.000 0.644 323 G HN 1.411 nan 8.290 nan 0.000 0.537 324 V N -1.226 118.566 119.914 -0.204 0.000 3.161 324 V HA 0.696 4.815 4.120 -0.000 0.000 0.221 324 V C 0.497 176.535 176.094 -0.094 0.000 1.296 324 V CA 1.656 63.891 62.300 -0.108 0.000 1.306 324 V CB 0.798 32.549 31.823 -0.120 0.000 1.171 324 V HN 0.597 nan 8.190 nan 0.000 0.513 325 M N -0.450 119.060 119.600 -0.150 0.000 2.484 325 M HA 0.558 5.038 4.480 -0.000 0.000 0.292 325 M C -0.488 175.710 176.300 -0.171 0.000 1.123 325 M CA -0.221 55.006 55.300 -0.122 0.000 0.910 325 M CB 1.704 34.267 32.600 -0.062 0.000 1.782 325 M HN 0.322 nan 8.290 nan 0.000 0.512 326 G N 1.408 110.125 108.800 -0.138 0.000 2.667 326 G HA2 0.520 4.480 3.960 -0.000 0.000 0.250 326 G HA3 0.520 4.480 3.960 -0.000 0.000 0.250 326 G C 0.121 175.004 174.900 -0.029 0.000 1.212 326 G CA 0.040 45.105 45.100 -0.059 0.000 0.874 326 G HN 0.901 nan 8.290 nan 0.000 0.561 327 G N -1.109 107.672 108.800 -0.033 0.000 2.535 327 G HA2 0.408 4.368 3.960 -0.000 0.000 0.303 327 G HA3 0.408 4.368 3.960 -0.000 0.000 0.303 327 G C 0.513 175.345 174.900 -0.113 0.000 1.237 327 G CA 0.280 45.322 45.100 -0.096 0.000 0.986 327 G HN 0.575 nan 8.290 nan 0.000 0.494 328 D N -1.899 118.454 120.400 -0.079 0.000 2.339 328 D HA 0.025 4.664 4.640 -0.000 0.000 0.217 328 D C 1.048 177.402 176.300 0.090 0.000 1.050 328 D CA 0.089 54.100 54.000 0.018 0.000 0.856 328 D CB -0.136 40.704 40.800 0.066 0.000 0.922 328 D HN 0.427 nan 8.370 nan 0.000 0.518 329 F N -1.071 118.908 119.950 0.048 0.000 2.880 329 F HA 0.341 4.865 4.527 -0.006 0.000 0.346 329 F C 1.390 177.236 175.800 0.077 0.000 1.054 329 F CA -0.010 58.001 58.000 0.019 0.000 1.151 329 F CB -0.002 39.004 39.000 0.009 0.000 1.066 329 F HN -0.031 nan 8.300 nan 0.000 0.566 330 S N -0.975 114.589 115.700 -0.227 0.000 2.556 330 S HA 0.191 4.661 4.470 -0.000 0.000 0.216 330 S C 0.237 174.942 174.600 0.175 0.000 0.970 330 S CA -0.376 57.864 58.200 0.065 0.000 0.912 330 S CB -0.377 62.812 63.200 -0.017 0.000 0.790 330 S HN 0.206 nan 8.310 nan 0.000 0.504 331 E N 1.745 121.996 120.200 0.084 0.000 2.373 331 E HA 0.282 4.632 4.350 -0.000 0.000 0.263 331 E C -0.277 176.349 176.600 0.044 0.000 1.073 331 E CA -0.366 56.058 56.400 0.040 0.000 0.894 331 E CB 1.446 31.161 29.700 0.024 0.000 1.008 331 E HN 0.090 nan 8.360 nan 0.000 0.420 332 V N 2.609 122.518 119.914 -0.009 0.000 2.585 332 V HA 0.081 4.201 4.120 -0.000 0.000 0.296 332 V C 0.912 177.011 176.094 0.010 0.000 1.035 332 V CA 0.421 62.725 62.300 0.005 0.000 1.084 332 V CB 0.565 32.367 31.823 -0.036 0.000 0.953 332 V HN 0.828 nan 8.190 nan 0.000 0.483 333 T N 0.795 115.365 114.554 0.026 0.000 2.773 333 T HA 0.429 4.779 4.350 -0.000 0.000 0.278 333 T C 0.670 175.376 174.700 0.009 0.000 1.011 333 T CA -0.607 61.501 62.100 0.014 0.000 1.014 333 T CB 1.558 70.436 68.868 0.018 0.000 1.293 333 T HN 0.450 nan 8.240 nan 0.000 0.554 334 E N 0.002 120.202 120.200 0.000 0.000 2.409 334 E HA -0.057 4.293 4.350 -0.000 0.000 0.198 334 E C 1.789 178.394 176.600 0.007 0.000 1.024 334 E CA 0.687 57.084 56.400 -0.005 0.000 0.861 334 E CB 0.059 29.750 29.700 -0.014 0.000 0.788 334 E HN 0.445 nan 8.360 nan 0.000 0.521 335 Q N -0.404 119.411 119.800 0.025 0.000 2.425 335 Q HA 0.009 4.349 4.340 -0.000 0.000 0.204 335 Q C 0.889 176.923 176.000 0.057 0.000 0.933 335 Q CA 0.477 56.305 55.803 0.041 0.000 0.939 335 Q CB -0.179 28.593 28.738 0.056 0.000 1.044 335 Q HN 0.169 nan 8.270 nan 0.000 0.513 336 T N -0.778 113.811 114.554 0.057 0.000 2.919 336 T HA 0.195 4.545 4.350 -0.000 0.000 0.302 336 T C 0.770 175.488 174.700 0.030 0.000 1.031 336 T CA 0.673 62.811 62.100 0.064 0.000 1.127 336 T CB 1.385 70.296 68.868 0.073 0.000 0.952 336 T HN 0.114 nan 8.240 nan 0.000 0.540 337 T N 2.476 117.044 114.554 0.023 0.000 3.009 337 T HA 0.282 4.631 4.350 -0.000 0.000 0.267 337 T C -0.257 174.446 174.700 0.005 0.000 0.942 337 T CA -0.416 61.689 62.100 0.008 0.000 0.883 337 T CB -0.048 68.823 68.868 0.005 0.000 1.192 337 T HN 0.696 nan 8.240 nan 0.000 0.524 338 N N 1.114 119.820 118.700 0.010 0.000 2.310 338 N HA 0.531 5.270 4.740 -0.000 0.000 0.292 338 N C -1.745 173.782 175.510 0.029 0.000 1.049 338 N CA -0.316 52.741 53.050 0.012 0.000 0.849 338 N CB 2.578 41.067 38.487 0.004 0.000 1.532 338 N HN 0.153 nan 8.380 nan 0.000 0.479 339 V N 1.526 121.460 119.914 0.032 0.000 2.735 339 V HA 0.566 4.686 4.120 -0.000 0.000 0.310 339 V C -1.047 175.088 176.094 0.068 0.000 1.061 339 V CA -0.502 61.826 62.300 0.047 0.000 0.913 339 V CB 1.944 33.779 31.823 0.020 0.000 1.005 339 V HN 0.320 nan 8.190 nan 0.000 0.428 340 V N 7.721 127.706 119.914 0.118 0.000 2.394 340 V HA 0.511 4.630 4.120 -0.000 0.000 0.282 340 V C -0.025 176.161 176.094 0.154 0.000 1.031 340 V CA -0.331 62.066 62.300 0.161 0.000 0.881 340 V CB 1.436 33.405 31.823 0.243 0.000 0.982 340 V HN 0.749 nan 8.190 nan 0.000 0.451 341 I N 4.524 125.157 120.570 0.105 0.000 2.328 341 I HA 0.358 4.528 4.170 -0.000 0.000 0.287 341 I C 0.332 176.488 176.117 0.065 0.000 1.012 341 I CA -0.114 61.221 61.300 0.058 0.000 1.195 341 I CB 1.191 39.213 38.000 0.037 0.000 1.350 341 I HN 0.657 nan 8.210 nan 0.000 0.464 342 E N 5.935 126.175 120.200 0.067 0.000 2.200 342 E HA 0.496 4.846 4.350 -0.000 0.000 0.283 342 E C -0.447 176.128 176.600 -0.043 0.000 1.015 342 E CA -0.579 55.813 56.400 -0.014 0.000 0.819 342 E CB 1.498 31.268 29.700 0.116 0.000 1.081 342 E HN 0.754 nan 8.360 nan 0.000 0.397 343 G N 2.693 111.417 108.800 -0.126 0.000 2.487 343 G HA2 0.639 4.599 3.960 -0.000 0.000 0.314 343 G HA3 0.639 4.599 3.960 -0.000 0.000 0.314 343 G C -1.073 173.734 174.900 -0.154 0.000 1.267 343 G CA -0.155 44.919 45.100 -0.043 0.000 0.937 343 G HN 0.605 nan 8.290 nan 0.000 0.481 344 A N 2.198 124.980 122.820 -0.064 0.000 2.486 344 A HA 0.883 5.203 4.320 -0.000 0.000 0.289 344 A C -0.952 176.651 177.584 0.031 0.000 1.176 344 A CA -0.766 51.118 52.037 -0.255 0.000 0.757 344 A CB 1.315 19.821 19.000 -0.824 0.000 1.337 344 A HN 0.667 nan 8.150 nan 0.000 0.423 345 I N 0.778 121.283 120.570 -0.108 0.000 2.410 345 I HA 0.441 4.611 4.170 -0.000 0.000 0.286 345 I C -1.498 174.464 176.117 -0.259 0.000 1.009 345 I CA -0.053 61.266 61.300 0.032 0.000 1.111 345 I CB 1.213 39.294 38.000 0.134 0.000 1.262 345 I HN 0.449 nan 8.210 nan 0.000 0.443 346 F N 2.712 122.658 119.950 -0.007 0.000 2.507 346 F HA 0.281 4.809 4.527 0.003 0.000 0.327 346 F C 0.538 176.320 175.800 -0.030 0.000 1.068 346 F CA -1.064 56.853 58.000 -0.139 0.000 0.965 346 F CB 1.071 39.766 39.000 -0.507 0.000 1.192 346 F HN 0.415 nan 8.300 nan 0.000 0.476 347 D N 3.914 124.418 120.400 0.175 0.000 2.472 347 D HA 0.062 4.702 4.640 -0.000 0.000 0.248 347 D C -1.597 174.759 176.300 0.093 0.000 1.174 347 D CA -1.049 53.018 54.000 0.112 0.000 0.883 347 D CB 0.953 41.800 40.800 0.078 0.000 1.149 347 D HN 0.115 nan 8.370 nan 0.000 0.488 348 P HA -0.177 nan 4.420 nan 0.000 0.220 348 P C 1.102 178.397 177.300 -0.009 0.000 1.144 348 P CA 0.477 63.625 63.100 0.080 0.000 0.800 348 P CB 0.284 32.028 31.700 0.073 0.000 0.772 349 V N -0.886 119.003 119.914 -0.043 0.000 2.436 349 V HA -0.098 4.022 4.120 -0.000 0.000 0.240 349 V C 2.452 178.436 176.094 -0.185 0.000 1.040 349 V CA 1.531 63.728 62.300 -0.172 0.000 1.052 349 V CB -1.034 30.729 31.823 -0.100 0.000 0.707 349 V HN 0.076 nan 8.190 nan 0.000 0.469 350 S N 0.751 116.437 115.700 -0.024 0.000 2.422 350 S HA -0.281 4.189 4.470 -0.000 0.000 0.248 350 S C 1.877 176.462 174.600 -0.025 0.000 1.069 350 S CA 2.274 60.482 58.200 0.013 0.000 1.214 350 S CB -0.472 62.742 63.200 0.023 0.000 1.122 350 S HN 0.381 nan 8.310 nan 0.000 0.432 351 I N 1.564 122.110 120.570 -0.039 0.000 2.208 351 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 351 I C 2.556 178.654 176.117 -0.031 0.000 1.097 351 I CA 1.455 62.726 61.300 -0.048 0.000 1.363 351 I CB -1.302 36.697 38.000 -0.001 0.000 1.051 351 I HN 0.356 nan 8.210 nan 0.000 0.413 352 R N 0.380 120.837 120.500 -0.072 0.000 2.073 352 R HA -0.189 4.150 4.340 -0.000 0.000 0.234 352 R C 2.339 178.607 176.300 -0.054 0.000 1.134 352 R CA 1.796 57.839 56.100 -0.095 0.000 0.952 352 R CB -0.367 29.809 30.300 -0.207 0.000 0.850 352 R HN 0.427 nan 8.270 nan 0.000 0.433 353 H N -0.916 118.159 119.070 0.009 0.000 2.363 353 H HA 0.002 4.558 4.556 -0.000 0.000 0.301 353 H C 2.026 177.349 175.328 -0.008 0.000 1.074 353 H CA 1.553 57.602 56.048 0.002 0.000 1.354 353 H CB 0.084 29.846 29.762 0.001 0.000 1.397 353 H HN 0.228 nan 8.280 nan 0.000 0.516 354 T N -0.137 114.474 114.554 0.095 0.000 2.665 354 T HA -0.250 4.100 4.350 -0.000 0.000 0.268 354 T C 2.395 177.106 174.700 0.018 0.000 1.035 354 T CA 1.817 63.935 62.100 0.030 0.000 1.151 354 T CB -0.357 68.498 68.868 -0.022 0.000 0.862 354 T HN 0.494 nan 8.240 nan 0.000 0.438 355 S N 1.491 117.200 115.700 0.014 0.000 2.377 355 S HA -0.015 4.455 4.470 -0.000 0.000 0.223 355 S C 2.098 176.712 174.600 0.022 0.000 1.030 355 S CA 0.368 58.573 58.200 0.009 0.000 0.970 355 S CB -0.238 62.968 63.200 0.010 0.000 0.830 355 S HN 0.416 nan 8.310 nan 0.000 0.473 356 R N 1.361 121.885 120.500 0.039 0.000 2.073 356 R HA -0.024 4.316 4.340 -0.000 0.000 0.234 356 R C 2.786 179.108 176.300 0.037 0.000 1.134 356 R CA 1.528 57.654 56.100 0.044 0.000 0.952 356 R CB -0.574 29.766 30.300 0.067 0.000 0.850 356 R HN 0.606 nan 8.270 nan 0.000 0.433 357 R N 1.400 121.926 120.500 0.043 0.000 2.120 357 R HA -0.081 4.259 4.340 -0.000 0.000 0.234 357 R C 1.596 177.903 176.300 0.013 0.000 1.123 357 R CA 1.284 57.398 56.100 0.024 0.000 0.975 357 R CB -0.174 30.139 30.300 0.021 0.000 0.866 357 R HN 0.201 nan 8.270 nan 0.000 0.446 358 L N 1.387 122.616 121.223 0.010 0.000 2.629 358 L HA 0.094 4.434 4.340 -0.000 0.000 0.230 358 L C 0.236 177.108 176.870 0.004 0.000 1.151 358 L CA -0.153 54.689 54.840 0.003 0.000 0.924 358 L CB -0.441 41.615 42.059 -0.005 0.000 1.137 358 L HN 0.316 nan 8.230 nan 0.000 0.457 359 N N 1.307 120.012 118.700 0.008 0.000 2.701 359 N HA -0.254 4.486 4.740 -0.000 0.000 0.252 359 N C -0.255 175.259 175.510 0.007 0.000 1.002 359 N CA 0.566 53.621 53.050 0.009 0.000 0.758 359 N CB -0.764 37.728 38.487 0.008 0.000 0.937 359 N HN 0.347 nan 8.380 nan 0.000 0.538 360 L N 0.877 122.104 121.223 0.005 0.000 2.719 360 L HA 0.275 4.615 4.340 -0.000 0.000 0.236 360 L C 0.054 176.928 176.870 0.006 0.000 1.221 360 L CA -0.403 54.438 54.840 0.001 0.000 1.048 360 L CB 0.170 42.222 42.059 -0.010 0.000 1.364 360 L HN 0.102 nan 8.230 nan 0.000 0.447 361 R N 0.901 121.409 120.500 0.013 0.000 2.393 361 R HA 0.575 4.914 4.340 -0.000 0.000 0.310 361 R C -0.272 176.042 176.300 0.023 0.000 0.968 361 R CA -0.220 55.892 56.100 0.020 0.000 0.867 361 R CB 2.179 32.492 30.300 0.021 0.000 1.124 361 R HN 0.366 nan 8.270 nan 0.000 0.450 362 S N 0.422 116.141 115.700 0.031 0.000 2.732 362 S HA 0.312 4.781 4.470 -0.000 0.000 0.293 362 S C 0.586 175.207 174.600 0.036 0.000 1.159 362 S CA -0.989 57.231 58.200 0.033 0.000 0.847 362 S CB 1.954 65.176 63.200 0.037 0.000 1.169 362 S HN 0.462 nan 8.310 nan 0.000 0.501 363 E N 0.569 120.788 120.200 0.031 0.000 2.150 363 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 363 E C 2.171 178.777 176.600 0.009 0.000 0.985 363 E CA 1.368 57.779 56.400 0.019 0.000 0.814 363 E CB -0.606 29.105 29.700 0.018 0.000 0.752 363 E HN 0.713 nan 8.360 nan 0.000 0.466 364 A N 1.638 124.477 122.820 0.032 0.000 1.877 364 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 364 A C 2.466 180.128 177.584 0.129 0.000 1.186 364 A CA 2.252 54.313 52.037 0.041 0.000 0.620 364 A CB -0.614 18.474 19.000 0.145 0.000 0.822 364 A HN 0.351 nan 8.150 nan 0.000 0.443 365 S N 0.573 116.374 115.700 0.169 0.000 2.383 365 S HA -0.184 4.286 4.470 -0.000 0.000 0.227 365 S C 2.159 176.843 174.600 0.141 0.000 1.026 365 S CA 1.723 60.044 58.200 0.201 0.000 0.981 365 S CB -1.005 62.254 63.200 0.098 0.000 0.818 365 S HN 0.968 nan 8.310 nan 0.000 0.472 366 S N 2.289 118.033 115.700 0.074 0.000 2.383 366 S HA -0.104 4.366 4.470 -0.000 0.000 0.229 366 S C 2.012 176.628 174.600 0.026 0.000 1.030 366 S CA 1.000 59.226 58.200 0.044 0.000 1.002 366 S CB -0.495 62.720 63.200 0.025 0.000 0.829 366 S HN 0.520 nan 8.310 nan 0.000 0.467 367 R N -0.257 120.229 120.500 -0.023 0.000 2.073 367 R HA 0.206 4.546 4.340 -0.000 0.000 0.229 367 R C 1.951 178.203 176.300 -0.080 0.000 1.120 367 R CA 1.527 57.565 56.100 -0.103 0.000 0.967 367 R CB -0.470 29.701 30.300 -0.215 0.000 0.862 367 R HN 0.476 nan 8.270 nan 0.000 0.436 368 F N 0.885 120.877 119.950 0.070 0.000 2.234 368 F HA -0.115 4.413 4.527 0.002 0.000 0.299 368 F C 2.067 177.901 175.800 0.057 0.000 1.087 368 F CA 1.209 59.265 58.000 0.093 0.000 1.340 368 F CB -0.189 38.902 39.000 0.152 0.000 1.031 368 F HN 0.075 nan 8.300 nan 0.000 0.500 369 E N 0.005 120.322 120.200 0.194 0.000 2.106 369 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 369 E C 1.814 178.453 176.600 0.065 0.000 0.984 369 E CA 1.088 57.548 56.400 0.100 0.000 0.806 369 E CB -0.100 29.635 29.700 0.058 0.000 0.750 369 E HN 0.308 nan 8.360 nan 0.000 0.458 370 K N -0.564 119.868 120.400 0.054 0.000 2.426 370 K HA 0.101 4.421 4.320 -0.000 0.000 0.193 370 K C 0.062 176.681 176.600 0.031 0.000 1.028 370 K CA 0.413 56.719 56.287 0.031 0.000 1.047 370 K CB 1.065 33.575 32.500 0.018 0.000 0.821 370 K HN 0.184 nan 8.250 nan 0.000 0.513 371 G N 1.062 109.893 108.800 0.052 0.000 2.907 371 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.686 371 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.686 371 G C -1.132 173.783 174.900 0.026 0.000 1.115 371 G CA -1.053 44.076 45.100 0.049 0.000 0.760 371 G HN -0.029 nan 8.290 nan 0.000 0.620 372 I N 1.910 122.500 120.570 0.035 0.000 2.354 372 I HA 0.610 4.779 4.170 -0.000 0.000 0.292 372 I C 1.136 177.236 176.117 -0.027 0.000 0.989 372 I CA -0.847 60.457 61.300 0.006 0.000 1.188 372 I CB 1.304 39.329 38.000 0.042 0.000 1.342 372 I HN 1.153 nan 8.210 nan 0.000 0.457 373 A N 4.485 127.287 122.820 -0.031 0.000 2.473 373 A HA 0.256 4.576 4.320 -0.000 0.000 0.282 373 A C 1.439 178.886 177.584 -0.228 0.000 1.163 373 A CA 0.160 52.124 52.037 -0.121 0.000 0.827 373 A CB -0.409 18.547 19.000 -0.074 0.000 1.098 373 A HN 0.885 nan 8.150 nan 0.000 0.515 374 T N 0.045 114.402 114.554 -0.329 0.000 2.977 374 T HA -0.182 4.167 4.350 -0.000 0.000 0.271 374 T C 1.324 175.537 174.700 -0.812 0.000 1.105 374 T CA 1.430 63.280 62.100 -0.417 0.000 1.116 374 T CB -0.264 68.383 68.868 -0.367 0.000 0.878 374 T HN 0.782 nan 8.240 nan 0.000 0.509 375 E N 0.314 119.836 120.200 -1.131 0.000 2.204 375 E HA -0.065 4.285 4.350 -0.000 0.000 0.195 375 E C 1.022 177.184 176.600 -0.730 0.000 0.990 375 E CA 0.871 56.289 56.400 -1.635 0.000 0.821 375 E CB -0.252 28.651 29.700 -1.328 0.000 0.750 375 E HN 0.782 nan 8.360 nan 0.000 0.477 376 F N -1.147 118.649 119.950 -0.255 0.000 2.682 376 F HA 0.116 4.643 4.527 -0.001 0.000 0.308 376 F C 1.539 177.298 175.800 -0.067 0.000 1.093 376 F CA -0.679 57.289 58.000 -0.052 0.000 1.244 376 F CB 0.925 39.967 39.000 0.069 0.000 1.052 376 F HN -0.078 nan 8.300 nan 0.000 0.573 377 V N -0.010 119.955 119.914 0.086 0.000 2.270 377 V HA -0.263 3.856 4.120 -0.000 0.000 0.245 377 V C 1.739 177.900 176.094 0.111 0.000 1.043 377 V CA 1.986 64.342 62.300 0.092 0.000 1.014 377 V CB -0.320 31.557 31.823 0.090 0.000 0.645 377 V HN 0.196 nan 8.190 nan 0.000 0.447 378 D N -0.427 120.054 120.400 0.135 0.000 2.149 378 D HA -0.153 4.486 4.640 -0.000 0.000 0.201 378 D C 2.168 178.509 176.300 0.069 0.000 0.972 378 D CA 1.347 55.429 54.000 0.137 0.000 0.835 378 D CB -0.135 40.765 40.800 0.167 0.000 0.966 378 D HN 0.597 nan 8.370 nan 0.000 0.476 379 E N 0.493 120.730 120.200 0.063 0.000 2.106 379 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 379 E C 1.932 178.340 176.600 -0.321 0.000 0.984 379 E CA 0.983 57.358 56.400 -0.041 0.000 0.806 379 E CB 0.044 29.801 29.700 0.094 0.000 0.750 379 E HN 0.158 nan 8.360 nan 0.000 0.458 380 A N 0.406 123.005 122.820 -0.369 0.000 1.902 380 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 380 A C 2.376 179.870 177.584 -0.150 0.000 1.181 380 A CA 1.378 53.159 52.037 -0.427 0.000 0.623 380 A CB -0.597 18.278 19.000 -0.210 0.000 0.818 380 A HN 0.222 nan 8.150 nan 0.000 0.443 381 V N 0.806 120.690 119.914 -0.050 0.000 2.261 381 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 381 V C 2.203 178.308 176.094 0.019 0.000 1.047 381 V CA 2.318 64.622 62.300 0.006 0.000 1.015 381 V CB -1.005 30.839 31.823 0.035 0.000 0.642 381 V HN 0.515 nan 8.190 nan 0.000 0.446 382 D N 0.039 120.449 120.400 0.017 0.000 2.157 382 D HA -0.260 4.380 4.640 -0.000 0.000 0.191 382 D C 2.235 178.575 176.300 0.067 0.000 1.004 382 D CA 1.896 55.920 54.000 0.040 0.000 0.854 382 D CB -0.397 40.423 40.800 0.033 0.000 0.936 382 D HN 0.293 nan 8.370 nan 0.000 0.446 383 R N 0.884 121.387 120.500 0.005 0.000 2.091 383 R HA -0.059 4.281 4.340 -0.000 0.000 0.238 383 R C 1.963 178.378 176.300 0.191 0.000 1.136 383 R CA 1.830 57.995 56.100 0.108 0.000 0.959 383 R CB -0.694 29.637 30.300 0.051 0.000 0.856 383 R HN 0.150 nan 8.270 nan 0.000 0.437 384 A N -0.552 122.337 122.820 0.115 0.000 1.930 384 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 384 A C 2.518 180.161 177.584 0.097 0.000 1.175 384 A CA 1.498 53.602 52.037 0.111 0.000 0.627 384 A CB -0.995 18.049 19.000 0.073 0.000 0.815 384 A HN 0.549 nan 8.150 nan 0.000 0.443 385 C N -2.291 117.070 119.300 0.102 0.000 2.446 385 C HA -0.068 4.392 4.460 -0.000 0.000 0.277 385 C C 2.488 177.542 174.990 0.107 0.000 1.275 385 C CA 1.041 60.111 59.018 0.087 0.000 1.727 385 C CB -1.436 26.357 27.740 0.087 0.000 2.010 385 C HN 0.745 nan 8.230 nan 0.000 0.486 386 Y N 1.407 121.732 120.300 0.042 0.000 2.145 386 Y HA -0.138 4.411 4.550 -0.001 0.000 0.286 386 Y C 2.167 178.096 175.900 0.048 0.000 1.145 386 Y CA 1.556 59.686 58.100 0.050 0.000 1.148 386 Y CB -0.523 37.978 38.460 0.068 0.000 0.981 386 Y HN 0.228 nan 8.280 nan 0.000 0.507 387 L N -0.444 120.813 121.223 0.057 0.000 2.131 387 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 387 L C 2.414 179.210 176.870 -0.123 0.000 1.092 387 L CA 1.084 55.885 54.840 -0.065 0.000 0.759 387 L CB -0.554 41.531 42.059 0.044 0.000 0.903 387 L HN 0.330 nan 8.230 nan 0.000 0.435 388 L N -0.602 120.581 121.223 -0.067 0.000 2.109 388 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 388 L C 2.735 179.550 176.870 -0.093 0.000 1.086 388 L CA 1.097 55.897 54.840 -0.066 0.000 0.760 388 L CB -0.435 41.608 42.059 -0.026 0.000 0.910 388 L HN 0.384 nan 8.230 nan 0.000 0.437 389 Q N 0.186 119.918 119.800 -0.112 0.000 2.077 389 Q HA -0.253 4.086 4.340 -0.000 0.000 0.206 389 Q C 1.903 177.795 176.000 -0.180 0.000 0.989 389 Q CA 1.813 57.537 55.803 -0.132 0.000 0.853 389 Q CB 0.069 28.733 28.738 -0.123 0.000 0.907 389 Q HN 0.411 nan 8.270 nan 0.000 0.418 390 E N -0.025 120.000 120.200 -0.292 0.000 2.158 390 E HA -0.030 4.319 4.350 -0.000 0.000 0.191 390 E C 1.907 178.419 176.600 -0.147 0.000 0.982 390 E CA 0.830 57.076 56.400 -0.257 0.000 0.823 390 E CB 0.248 29.716 29.700 -0.386 0.000 0.766 390 E HN 0.479 nan 8.360 nan 0.000 0.468 391 L N -1.216 119.918 121.223 -0.149 0.000 2.781 391 L HA 0.339 4.679 4.340 -0.000 0.000 0.245 391 L C 1.506 178.306 176.870 -0.118 0.000 1.118 391 L CA 0.317 55.075 54.840 -0.137 0.000 0.918 391 L CB 0.447 42.392 42.059 -0.189 0.000 1.246 391 L HN -0.106 nan 8.230 nan 0.000 0.526 392 A N -1.287 121.472 122.820 -0.101 0.000 2.538 392 A HA 0.344 4.663 4.320 -0.000 0.000 0.269 392 A C 1.204 178.753 177.584 -0.059 0.000 1.231 392 A CA 0.288 52.280 52.037 -0.077 0.000 0.948 392 A CB 0.325 19.285 19.000 -0.067 0.000 1.110 392 A HN 0.133 nan 8.150 nan 0.000 0.529 393 S N -1.472 114.191 115.700 -0.062 0.000 3.261 393 S HA -0.158 4.312 4.470 -0.000 0.000 0.287 393 S C 0.999 175.575 174.600 -0.039 0.000 1.281 393 S CA 0.676 58.848 58.200 -0.047 0.000 1.053 393 S CB -1.633 61.545 63.200 -0.036 0.000 1.251 393 S HN 1.551 nan 8.310 nan 0.000 0.659 394 G N 0.364 109.137 108.800 -0.044 0.000 2.606 394 G HA2 0.491 4.451 3.960 -0.000 0.000 0.252 394 G HA3 0.491 4.451 3.960 -0.000 0.000 0.252 394 G C -0.466 174.424 174.900 -0.018 0.000 1.206 394 G CA -0.349 44.735 45.100 -0.027 0.000 0.861 394 G HN 0.440 nan 8.290 nan 0.000 0.561 395 E N -0.121 120.076 120.200 -0.004 0.000 2.186 395 E HA 0.322 4.671 4.350 -0.000 0.000 0.255 395 E C -0.810 175.799 176.600 0.014 0.000 0.881 395 E CA -0.492 55.910 56.400 0.004 0.000 0.752 395 E CB 2.081 31.784 29.700 0.005 0.000 1.176 395 E HN 0.179 nan 8.360 nan 0.000 0.421 396 V N 4.561 124.489 119.914 0.023 0.000 2.461 396 V HA 0.136 4.255 4.120 -0.000 0.000 0.275 396 V C 0.162 176.278 176.094 0.036 0.000 1.047 396 V CA -0.553 61.768 62.300 0.035 0.000 0.955 396 V CB 0.488 32.342 31.823 0.052 0.000 0.988 396 V HN 0.538 nan 8.190 nan 0.000 0.471 397 L N 4.323 125.567 121.223 0.035 0.000 2.436 397 L HA 0.286 4.626 4.340 -0.000 0.000 0.265 397 L C 0.722 177.615 176.870 0.038 0.000 1.168 397 L CA 0.523 55.383 54.840 0.033 0.000 0.815 397 L CB 0.360 42.437 42.059 0.030 0.000 1.109 397 L HN 0.633 nan 8.230 nan 0.000 0.462 398 Q N 1.838 121.659 119.800 0.035 0.000 2.395 398 Q HA 0.138 4.478 4.340 -0.000 0.000 0.271 398 Q C -0.826 175.197 176.000 0.038 0.000 1.026 398 Q CA 0.248 56.072 55.803 0.036 0.000 0.900 398 Q CB 0.436 29.193 28.738 0.031 0.000 1.266 398 Q HN 0.568 nan 8.270 nan 0.000 0.430 399 D N -0.089 120.336 120.400 0.041 0.000 10.655 399 D HA -0.152 4.488 4.640 -0.000 0.000 0.358 399 D C -0.679 175.649 176.300 0.048 0.000 3.091 399 D CA 0.581 54.607 54.000 0.043 0.000 2.547 399 D CB -0.104 40.718 40.800 0.037 0.000 1.197 399 D HN 0.732 nan 8.370 nan 0.000 0.966 400 R N -1.370 119.161 120.500 0.051 0.000 2.808 400 R HA 0.742 5.082 4.340 -0.000 0.000 0.272 400 R C -1.389 174.940 176.300 0.047 0.000 0.995 400 R CA -0.948 55.184 56.100 0.053 0.000 0.917 400 R CB 1.407 31.746 30.300 0.065 0.000 1.217 400 R HN 0.206 nan 8.270 nan 0.000 0.471 401 V N 1.716 121.655 119.914 0.042 0.000 2.435 401 V HA 0.549 4.669 4.120 -0.000 0.000 0.290 401 V C -0.266 175.840 176.094 0.020 0.000 1.030 401 V CA -0.357 61.966 62.300 0.039 0.000 0.881 401 V CB 1.298 33.150 31.823 0.048 0.000 0.983 401 V HN 0.997 nan 8.190 nan 0.000 0.445 402 S N 2.842 118.546 115.700 0.007 0.000 2.550 402 S HA 0.799 5.269 4.470 -0.000 0.000 0.270 402 S C -0.900 173.686 174.600 -0.023 0.000 1.145 402 S CA -0.671 57.486 58.200 -0.072 0.000 0.852 402 S CB 2.142 65.293 63.200 -0.082 0.000 1.119 402 S HN 0.688 nan 8.310 nan 0.000 0.465 403 S N 0.047 115.710 115.700 -0.062 0.000 2.570 403 S HA 0.931 5.400 4.470 -0.000 0.000 0.286 403 S C -0.000 174.641 174.600 0.068 0.000 1.099 403 S CA 0.565 58.774 58.200 0.015 0.000 0.913 403 S CB 0.968 64.173 63.200 0.008 0.000 1.085 403 S HN 2.569 nan 8.310 nan 0.000 0.480 404 G N 2.387 111.268 108.800 0.135 0.000 2.663 404 G HA2 0.088 4.048 3.960 -0.000 0.000 0.686 404 G HA3 0.088 4.048 3.960 -0.000 0.000 0.686 404 G C -1.513 173.548 174.900 0.268 0.000 1.246 404 G CA -0.292 44.932 45.100 0.207 0.000 0.795 404 G HN 0.824 nan 8.290 nan 0.000 0.627 405 D N 0.364 120.863 120.400 0.166 0.000 2.481 405 D HA 0.551 5.191 4.640 -0.000 0.000 0.246 405 D C 1.444 177.768 176.300 0.040 0.000 1.109 405 D CA -0.794 53.265 54.000 0.099 0.000 0.845 405 D CB 1.233 42.070 40.800 0.062 0.000 1.160 405 D HN 0.316 nan 8.370 nan 0.000 0.534 406 L N 2.997 124.202 121.223 -0.030 0.000 2.341 406 L HA 0.312 4.652 4.340 -0.000 0.000 0.214 406 L C 1.601 178.480 176.870 0.014 0.000 1.115 406 L CA 0.687 55.479 54.840 -0.080 0.000 0.820 406 L CB -0.699 41.252 42.059 -0.181 0.000 0.944 406 L HN 0.762 nan 8.230 nan 0.000 0.452 407 G N -0.118 108.699 108.800 0.028 0.000 2.568 407 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.222 407 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.222 407 G C -0.171 174.765 174.900 0.061 0.000 1.321 407 G CA -0.192 44.926 45.100 0.030 0.000 0.893 407 G HN 0.307 nan 8.290 nan 0.000 0.569 408 S N -0.911 114.821 115.700 0.053 0.000 2.617 408 S HA 0.636 5.106 4.470 -0.000 0.000 0.269 408 S C 0.825 175.589 174.600 0.273 0.000 1.292 408 S CA 0.168 58.415 58.200 0.078 0.000 1.010 408 S CB 0.695 63.899 63.200 0.007 0.000 0.944 408 S HN 0.774 nan 8.310 nan 0.000 0.536 409 F N 1.988 121.868 119.950 -0.117 0.000 2.645 409 F HA 0.418 4.945 4.527 -0.001 0.000 0.300 409 F C 0.370 176.076 175.800 -0.156 0.000 1.115 409 F CA -0.512 57.399 58.000 -0.149 0.000 1.355 409 F CB 0.828 39.738 39.000 -0.149 0.000 1.026 409 F HN 0.300 nan 8.300 nan 0.000 0.536 410 V N 0.518 120.454 119.914 0.037 0.000 2.823 410 V HA 0.191 4.311 4.120 -0.000 0.000 0.296 410 V C -0.595 175.456 176.094 -0.072 0.000 1.250 410 V CA -0.559 61.712 62.300 -0.049 0.000 0.939 410 V CB 2.292 34.097 31.823 -0.030 0.000 1.062 410 V HN 0.130 nan 8.190 nan 0.000 0.433 411 T N 4.946 119.427 114.554 -0.121 0.000 2.758 411 T HA 0.674 5.024 4.350 -0.000 0.000 0.285 411 T C -2.878 171.735 174.700 -0.146 0.000 0.981 411 T CA -2.234 59.795 62.100 -0.118 0.000 0.965 411 T CB 1.699 70.504 68.868 -0.106 0.000 0.927 411 T HN 0.422 nan 8.240 nan 0.000 0.448 412 P HA 0.364 nan 4.420 nan 0.000 0.271 412 P C -0.746 176.481 177.300 -0.122 0.000 1.233 412 P CA -0.159 62.873 63.100 -0.114 0.000 0.764 412 P CB 0.210 31.865 31.700 -0.075 0.000 0.825 413 I N 3.284 123.758 120.570 -0.159 0.000 2.465 413 I HA 0.296 4.466 4.170 -0.000 0.000 0.291 413 I C -0.100 175.939 176.117 -0.130 0.000 1.014 413 I CA -0.699 60.513 61.300 -0.146 0.000 1.093 413 I CB 1.915 39.803 38.000 -0.186 0.000 1.267 413 I HN 0.088 nan 8.210 nan 0.000 0.431 414 D N 6.599 126.950 120.400 -0.081 0.000 2.232 414 D HA 0.594 5.233 4.640 -0.000 0.000 0.242 414 D C -0.773 175.509 176.300 -0.029 0.000 1.093 414 D CA 0.042 54.011 54.000 -0.051 0.000 0.845 414 D CB 2.271 43.052 40.800 -0.031 0.000 1.124 414 D HN 0.302 nan 8.370 nan 0.000 0.467 415 I N 0.727 121.293 120.570 -0.006 0.000 2.769 415 I HA 0.371 4.540 4.170 -0.000 0.000 0.298 415 I C -0.755 175.403 176.117 0.068 0.000 1.128 415 I CA -0.398 60.927 61.300 0.041 0.000 1.031 415 I CB 2.286 40.335 38.000 0.081 0.000 1.235 415 I HN 0.249 nan 8.210 nan 0.000 0.423 416 T N 3.879 118.474 114.554 0.070 0.000 2.855 416 T HA 0.652 5.002 4.350 -0.000 0.000 0.281 416 T C 0.802 175.544 174.700 0.071 0.000 1.007 416 T CA 0.005 62.139 62.100 0.058 0.000 1.009 416 T CB 1.761 70.652 68.868 0.039 0.000 0.983 416 T HN 0.751 nan 8.240 nan 0.000 0.455 417 A N 2.119 124.970 122.820 0.051 0.000 2.067 417 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 417 A C 2.109 179.711 177.584 0.029 0.000 1.158 417 A CA 1.269 53.323 52.037 0.030 0.000 0.661 417 A CB -0.677 18.315 19.000 -0.012 0.000 0.801 417 A HN 0.946 nan 8.150 nan 0.000 0.452 418 E N 0.405 120.624 120.200 0.030 0.000 2.112 418 E HA -0.197 4.153 4.350 -0.000 0.000 0.190 418 E C 1.845 178.472 176.600 0.045 0.000 0.979 418 E CA 1.403 57.821 56.400 0.030 0.000 0.814 418 E CB -0.152 29.559 29.700 0.020 0.000 0.762 418 E HN 0.353 nan 8.360 nan 0.000 0.460 419 K N 0.834 121.265 120.400 0.051 0.000 2.009 419 K HA -0.092 4.228 4.320 -0.000 0.000 0.210 419 K C 2.182 178.829 176.600 0.079 0.000 1.049 419 K CA 1.567 57.888 56.287 0.057 0.000 0.929 419 K CB -0.780 31.755 32.500 0.058 0.000 0.714 419 K HN 0.032 nan 8.250 nan 0.000 0.440 420 V N 1.767 121.747 119.914 0.110 0.000 2.255 420 V HA -0.291 3.828 4.120 -0.000 0.000 0.247 420 V C 2.022 178.248 176.094 0.220 0.000 1.051 420 V CA 2.194 64.595 62.300 0.168 0.000 1.018 420 V CB -0.634 31.298 31.823 0.182 0.000 0.641 420 V HN 0.404 nan 8.190 nan 0.000 0.445 421 N N -0.077 118.735 118.700 0.186 0.000 2.142 421 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 421 N C 1.842 177.429 175.510 0.128 0.000 1.023 421 N CA 1.383 54.571 53.050 0.230 0.000 0.852 421 N CB -0.315 38.233 38.487 0.102 0.000 0.998 421 N HN 0.480 nan 8.380 nan 0.000 0.424 422 K N 0.419 120.861 120.400 0.069 0.000 2.020 422 K HA -0.090 4.229 4.320 -0.000 0.000 0.212 422 K C 1.848 178.448 176.600 -0.001 0.000 1.050 422 K CA 1.792 58.096 56.287 0.028 0.000 0.929 422 K CB -0.120 32.395 32.500 0.024 0.000 0.714 422 K HN 0.100 nan 8.250 nan 0.000 0.443 423 T N 0.700 115.253 114.554 -0.001 0.000 2.746 423 T HA -0.111 4.238 4.350 -0.000 0.000 0.267 423 T C 1.785 176.417 174.700 -0.113 0.000 1.039 423 T CA 1.536 63.613 62.100 -0.038 0.000 1.142 423 T CB -0.100 68.760 68.868 -0.015 0.000 0.866 423 T HN 0.127 nan 8.240 nan 0.000 0.444 424 I N -0.122 120.340 120.570 -0.180 0.000 2.585 424 I HA 0.262 4.431 4.170 -0.000 0.000 0.254 424 I C 2.178 178.073 176.117 -0.369 0.000 1.129 424 I CA 0.950 61.991 61.300 -0.433 0.000 1.455 424 I CB -0.193 37.206 38.000 -1.001 0.000 1.111 424 I HN 0.427 nan 8.210 nan 0.000 0.433 425 G N 0.435 109.128 108.800 -0.179 0.000 2.194 425 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.236 425 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.236 425 G C 0.530 175.469 174.900 0.065 0.000 0.987 425 G CA 0.131 45.193 45.100 -0.062 0.000 0.635 425 G HN 0.212 nan 8.290 nan 0.000 0.520 426 F N 0.762 120.670 119.950 -0.070 0.000 2.234 426 F HA 0.786 5.312 4.527 -0.000 0.000 0.292 426 F C 0.361 176.099 175.800 -0.103 0.000 1.187 426 F CA -2.474 55.474 58.000 -0.085 0.000 1.128 426 F CB -0.138 38.793 39.000 -0.115 0.000 1.507 426 F HN -0.025 nan 8.300 nan 0.000 0.512 427 N N 0.213 118.898 118.700 -0.026 0.000 2.765 427 N HA 0.300 5.040 4.740 -0.000 0.000 0.277 427 N C -1.514 173.787 175.510 -0.348 0.000 1.750 427 N CA -0.180 52.783 53.050 -0.144 0.000 0.827 427 N CB -0.136 38.316 38.487 -0.060 0.000 1.200 427 N HN 0.531 nan 8.380 nan 0.000 0.494 428 L N 0.977 121.818 121.223 -0.638 0.000 2.426 428 L HA 0.302 4.641 4.340 -0.000 0.000 0.271 428 L C 1.081 177.759 176.870 -0.320 0.000 1.169 428 L CA -0.349 54.123 54.840 -0.613 0.000 0.836 428 L CB 0.834 42.346 42.059 -0.912 0.000 1.112 428 L HN 0.443 nan 8.230 nan 0.000 0.465 429 S N 1.494 117.049 115.700 -0.241 0.000 2.655 429 S HA 0.205 4.675 4.470 -0.000 0.000 0.265 429 S C 0.784 175.312 174.600 -0.120 0.000 1.240 429 S CA -0.781 57.333 58.200 -0.144 0.000 0.986 429 S CB 1.126 64.261 63.200 -0.108 0.000 0.985 429 S HN 0.573 nan 8.310 nan 0.000 0.562 430 N N 1.506 120.166 118.700 -0.067 0.000 2.106 430 N HA -0.082 4.658 4.740 -0.000 0.000 0.188 430 N C 1.193 176.683 175.510 -0.033 0.000 1.029 430 N CA 1.404 54.434 53.050 -0.033 0.000 0.848 430 N CB -0.816 37.667 38.487 -0.006 0.000 1.007 430 N HN 0.666 nan 8.380 nan 0.000 0.423 431 D N 1.239 121.617 120.400 -0.036 0.000 2.133 431 D HA -0.197 4.443 4.640 -0.000 0.000 0.192 431 D C 1.565 177.829 176.300 -0.060 0.000 1.001 431 D CA 1.225 55.205 54.000 -0.035 0.000 0.844 431 D CB -0.185 40.597 40.800 -0.030 0.000 0.944 431 D HN 0.466 nan 8.370 nan 0.000 0.447 432 E N 0.212 120.351 120.200 -0.101 0.000 2.077 432 E HA -0.114 4.235 4.350 -0.000 0.000 0.193 432 E C 2.441 178.933 176.600 -0.179 0.000 0.989 432 E CA 0.492 56.809 56.400 -0.139 0.000 0.800 432 E CB 0.038 29.610 29.700 -0.215 0.000 0.746 432 E HN 0.336 nan 8.360 nan 0.000 0.452 433 I N 0.720 121.172 120.570 -0.196 0.000 2.163 433 I HA -0.298 3.871 4.170 -0.000 0.000 0.240 433 I C 2.799 178.761 176.117 -0.258 0.000 1.081 433 I CA 1.327 62.460 61.300 -0.278 0.000 1.353 433 I CB -0.566 37.345 38.000 -0.149 0.000 1.054 433 I HN 0.186 nan 8.210 nan 0.000 0.407 434 Q N 1.169 120.959 119.800 -0.018 0.000 2.002 434 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 434 Q C 2.365 178.400 176.000 0.057 0.000 0.988 434 Q CA 2.927 58.801 55.803 0.118 0.000 0.843 434 Q CB -0.217 28.573 28.738 0.088 0.000 0.908 434 Q HN 0.401 nan 8.270 nan 0.000 0.420 435 S N -0.225 115.470 115.700 -0.007 0.000 2.372 435 S HA -0.209 4.261 4.470 -0.000 0.000 0.227 435 S C 1.923 176.491 174.600 -0.054 0.000 1.044 435 S CA 1.592 59.780 58.200 -0.020 0.000 1.050 435 S CB -0.506 62.677 63.200 -0.029 0.000 0.901 435 S HN 0.496 nan 8.310 nan 0.000 0.447 436 I N 1.112 121.596 120.570 -0.143 0.000 2.118 436 I HA -0.104 4.066 4.170 -0.000 0.000 0.241 436 I C 2.171 178.191 176.117 -0.162 0.000 1.070 436 I CA 1.286 62.466 61.300 -0.201 0.000 1.327 436 I CB -1.888 35.919 38.000 -0.321 0.000 1.034 436 I HN 0.316 nan 8.210 nan 0.000 0.405 437 F N 0.900 120.846 119.950 -0.007 0.000 2.269 437 F HA -0.133 4.393 4.527 -0.000 0.000 0.301 437 F C 2.629 178.402 175.800 -0.045 0.000 1.082 437 F CA 0.995 58.998 58.000 0.004 0.000 1.360 437 F CB -0.888 38.210 39.000 0.165 0.000 1.041 437 F HN 0.105 nan 8.300 nan 0.000 0.512 438 R N 0.095 120.685 120.500 0.151 0.000 2.100 438 R HA -0.098 4.242 4.340 -0.000 0.000 0.220 438 R C 2.263 178.577 176.300 0.024 0.000 1.091 438 R CA 1.027 57.185 56.100 0.097 0.000 0.986 438 R CB -0.453 29.898 30.300 0.085 0.000 0.888 438 R HN 0.429 nan 8.270 nan 0.000 0.444 439 Q N 0.835 120.626 119.800 -0.016 0.000 2.364 439 Q HA -0.099 4.240 4.340 -0.000 0.000 0.207 439 Q C 1.471 177.417 176.000 -0.090 0.000 0.970 439 Q CA 1.162 56.943 55.803 -0.037 0.000 0.888 439 Q CB -0.030 28.685 28.738 -0.039 0.000 0.951 439 Q HN 0.344 nan 8.270 nan 0.000 0.469 440 L N 0.156 121.248 121.223 -0.218 0.000 2.599 440 L HA 0.196 4.536 4.340 -0.000 0.000 0.230 440 L C 1.151 177.791 176.870 -0.384 0.000 1.141 440 L CA 0.561 55.123 54.840 -0.465 0.000 0.877 440 L CB 0.038 41.471 42.059 -1.042 0.000 1.009 440 L HN 0.586 nan 8.230 nan 0.000 0.447 441 G N -0.252 108.481 108.800 -0.113 0.000 2.136 441 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.242 441 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.242 441 G C 0.213 175.266 174.900 0.255 0.000 0.989 441 G CA -0.439 44.724 45.100 0.105 0.000 0.682 441 G HN 0.290 nan 8.290 nan 0.000 0.522 442 F N 1.311 121.318 119.950 0.094 0.000 2.390 442 F HA 0.330 4.856 4.527 -0.000 0.000 0.361 442 F C 1.026 176.858 175.800 0.053 0.000 1.124 442 F CA -1.053 56.973 58.000 0.043 0.000 1.149 442 F CB 0.825 39.835 39.000 0.015 0.000 1.160 442 F HN -0.026 nan 8.300 nan 0.000 0.501 443 E N 2.519 122.844 120.200 0.209 0.000 2.415 443 E HA -0.012 4.338 4.350 -0.000 0.000 0.260 443 E C -0.256 176.401 176.600 0.096 0.000 1.016 443 E CA 0.478 56.953 56.400 0.126 0.000 0.924 443 E CB 1.199 30.948 29.700 0.082 0.000 0.961 443 E HN 0.551 nan 8.360 nan 0.000 0.459 444 T N 2.468 117.083 114.554 0.102 0.000 2.991 444 T HA 0.383 4.733 4.350 -0.000 0.000 0.303 444 T C -0.737 174.009 174.700 0.077 0.000 1.015 444 T CA -0.626 61.528 62.100 0.089 0.000 1.007 444 T CB 1.125 70.093 68.868 0.166 0.000 1.034 444 T HN 0.453 nan 8.240 nan 0.000 0.446 445 T N 2.369 116.952 114.554 0.049 0.000 2.926 445 T HA 0.801 5.150 4.350 -0.000 0.000 0.289 445 T C -1.071 173.653 174.700 0.040 0.000 1.054 445 T CA -0.984 61.141 62.100 0.041 0.000 1.015 445 T CB 1.694 70.577 68.868 0.025 0.000 1.167 445 T HN 0.537 nan 8.240 nan 0.000 0.526 446 L N 0.900 122.143 121.223 0.034 0.000 2.343 446 L HA 0.635 4.975 4.340 -0.000 0.000 0.278 446 L C -0.559 176.323 176.870 0.020 0.000 0.996 446 L CA -0.671 54.188 54.840 0.031 0.000 0.831 446 L CB 1.285 43.364 42.059 0.033 0.000 1.232 446 L HN 0.818 nan 8.230 nan 0.000 0.413 447 K N 4.249 124.658 120.400 0.016 0.000 2.449 447 K HA 0.603 4.922 4.320 -0.000 0.000 0.257 447 K C 0.713 177.318 176.600 0.010 0.000 0.989 447 K CA 0.326 56.619 56.287 0.010 0.000 0.916 447 K CB 0.775 33.279 32.500 0.006 0.000 1.136 447 K HN 0.899 nan 8.250 nan 0.000 0.439 448 G N 3.245 112.050 108.800 0.009 0.000 2.620 448 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.315 448 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.315 448 G C 0.547 175.452 174.900 0.010 0.000 1.179 448 G CA 0.293 45.398 45.100 0.008 0.000 0.971 448 G HN 0.628 nan 8.290 nan 0.000 0.544 449 E N 1.125 121.332 120.200 0.010 0.000 2.476 449 E HA 0.190 4.539 4.350 -0.000 0.000 0.199 449 E C 1.343 177.955 176.600 0.020 0.000 1.021 449 E CA 0.892 57.299 56.400 0.013 0.000 0.907 449 E CB 0.494 30.200 29.700 0.010 0.000 0.974 449 E HN 0.603 nan 8.360 nan 0.000 0.489 450 T N 0.819 115.384 114.554 0.018 0.000 2.743 450 T HA 0.405 4.755 4.350 -0.000 0.000 0.293 450 T C 0.130 174.847 174.700 0.027 0.000 0.945 450 T CA -0.507 61.606 62.100 0.021 0.000 1.030 450 T CB 0.144 69.018 68.868 0.011 0.000 0.912 450 T HN -0.089 nan 8.240 nan 0.000 0.483 451 L N 5.043 126.293 121.223 0.044 0.000 2.367 451 L HA 0.335 4.675 4.340 -0.000 0.000 0.275 451 L C 0.666 177.540 176.870 0.007 0.000 1.129 451 L CA -0.354 54.518 54.840 0.054 0.000 0.839 451 L CB 1.018 43.153 42.059 0.126 0.000 1.133 451 L HN 0.720 nan 8.230 nan 0.000 0.453 452 T N 2.893 117.442 114.554 -0.008 0.000 2.756 452 T HA 0.406 4.756 4.350 -0.000 0.000 0.290 452 T C -0.163 174.488 174.700 -0.080 0.000 0.985 452 T CA -0.520 61.550 62.100 -0.050 0.000 0.955 452 T CB 1.234 70.080 68.868 -0.037 0.000 0.930 452 T HN 0.196 nan 8.240 nan 0.000 0.451 453 V N 4.267 124.072 119.914 -0.181 0.000 2.350 453 V HA 0.331 4.451 4.120 -0.000 0.000 0.276 453 V C 0.282 176.232 176.094 -0.241 0.000 1.028 453 V CA -1.120 61.018 62.300 -0.271 0.000 0.860 453 V CB 0.695 32.139 31.823 -0.633 0.000 0.990 453 V HN 0.762 nan 8.190 nan 0.000 0.453 454 N N 3.784 122.388 118.700 -0.159 0.000 2.439 454 N HA 0.241 4.980 4.740 -0.000 0.000 0.243 454 N C -0.587 174.766 175.510 -0.261 0.000 1.088 454 N CA -0.056 52.903 53.050 -0.152 0.000 0.940 454 N CB 1.808 40.259 38.487 -0.061 0.000 1.180 454 N HN 0.463 nan 8.380 nan 0.000 0.505 455 V N 5.494 125.188 119.914 -0.366 0.000 2.348 455 V HA 0.261 4.381 4.120 -0.000 0.000 0.270 455 V C -1.807 174.061 176.094 -0.375 0.000 1.037 455 V CA -1.522 60.423 62.300 -0.592 0.000 0.872 455 V CB 1.297 32.734 31.823 -0.642 0.000 1.002 455 V HN 0.450 nan 8.190 nan 0.000 0.464 456 P HA 0.166 nan 4.420 nan 0.000 0.277 456 P C 0.755 177.897 177.300 -0.262 0.000 1.240 456 P CA -0.349 62.620 63.100 -0.219 0.000 0.798 456 P CB 1.086 32.684 31.700 -0.170 0.000 0.979 457 S N 1.773 117.299 115.700 -0.290 0.000 2.547 457 S HA -0.153 4.317 4.470 -0.000 0.000 0.235 457 S C 1.423 175.826 174.600 -0.329 0.000 0.980 457 S CA 0.349 58.362 58.200 -0.310 0.000 0.941 457 S CB -0.854 62.108 63.200 -0.398 0.000 0.763 457 S HN 0.596 nan 8.310 nan 0.000 0.532 458 R N 0.502 120.773 120.500 -0.382 0.000 2.299 458 R HA 0.221 4.561 4.340 -0.000 0.000 0.197 458 R C 0.337 176.552 176.300 -0.142 0.000 0.971 458 R CA -0.029 55.880 56.100 -0.318 0.000 1.030 458 R CB -0.028 29.980 30.300 -0.487 0.000 0.932 458 R HN 0.079 nan 8.270 nan 0.000 0.477 459 R N 1.856 122.277 120.500 -0.131 0.000 2.860 459 R HA 0.127 4.466 4.340 -0.000 0.000 0.282 459 R C -0.090 176.151 176.300 -0.098 0.000 1.408 459 R CA -0.141 55.925 56.100 -0.056 0.000 1.636 459 R CB 1.071 31.388 30.300 0.029 0.000 1.187 459 R HN 0.214 nan 8.270 nan 0.000 0.611 460 K N 1.410 121.756 120.400 -0.089 0.000 2.366 460 K HA -0.099 4.221 4.320 -0.000 0.000 0.198 460 K C 0.803 177.364 176.600 -0.065 0.000 1.044 460 K CA 1.280 57.510 56.287 -0.094 0.000 0.973 460 K CB 0.450 32.899 32.500 -0.085 0.000 0.767 460 K HN 0.323 nan 8.250 nan 0.000 0.475 461 D N 1.015 121.390 120.400 -0.042 0.000 2.117 461 D HA -0.200 4.440 4.640 -0.000 0.000 0.197 461 D C 0.870 177.151 176.300 -0.030 0.000 0.987 461 D CA 0.772 54.758 54.000 -0.023 0.000 0.829 461 D CB -0.428 40.370 40.800 -0.003 0.000 0.961 461 D HN 0.239 nan 8.370 nan 0.000 0.460 462 I N 2.195 122.736 120.570 -0.048 0.000 2.389 462 I HA 0.002 4.172 4.170 -0.000 0.000 0.295 462 I C 1.181 177.239 176.117 -0.099 0.000 1.117 462 I CA 0.037 61.297 61.300 -0.066 0.000 1.317 462 I CB 0.730 38.667 38.000 -0.105 0.000 1.431 462 I HN 0.065 nan 8.210 nan 0.000 0.521 463 T N 3.493 118.006 114.554 -0.068 0.000 3.026 463 T HA 0.282 4.632 4.350 -0.000 0.000 0.245 463 T C 0.866 175.527 174.700 -0.065 0.000 1.004 463 T CA -0.094 61.963 62.100 -0.072 0.000 1.069 463 T CB 0.243 69.081 68.868 -0.051 0.000 1.005 463 T HN 0.375 nan 8.240 nan 0.000 0.472 464 I N 0.710 121.253 120.570 -0.043 0.000 3.514 464 I HA 0.497 4.666 4.170 -0.000 0.000 0.300 464 I C 1.399 177.495 176.117 -0.034 0.000 1.194 464 I CA -1.129 60.152 61.300 -0.032 0.000 0.968 464 I CB 1.244 39.237 38.000 -0.012 0.000 1.418 464 I HN 0.016 nan 8.210 nan 0.000 0.614 465 K N 0.473 120.861 120.400 -0.019 0.000 2.228 465 K HA -0.032 4.288 4.320 -0.000 0.000 0.202 465 K C 1.358 177.978 176.600 0.034 0.000 1.051 465 K CA 0.869 57.154 56.287 -0.003 0.000 0.960 465 K CB -0.229 32.272 32.500 0.003 0.000 0.743 465 K HN 0.644 nan 8.250 nan 0.000 0.458 466 E N 1.971 122.189 120.200 0.030 0.000 2.268 466 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 466 E C 0.846 177.482 176.600 0.059 0.000 0.995 466 E CA 1.014 57.441 56.400 0.045 0.000 0.836 466 E CB -0.321 29.397 29.700 0.031 0.000 0.763 466 E HN 0.417 nan 8.360 nan 0.000 0.491 467 D N 1.154 121.582 120.400 0.046 0.000 2.269 467 D HA -0.031 4.609 4.640 -0.000 0.000 0.208 467 D C 2.145 178.511 176.300 0.109 0.000 0.963 467 D CA 0.455 54.490 54.000 0.059 0.000 0.864 467 D CB -0.081 40.733 40.800 0.024 0.000 0.936 467 D HN 0.237 nan 8.370 nan 0.000 0.505 468 L N 0.223 121.521 121.223 0.123 0.000 2.156 468 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 468 L C 2.347 179.409 176.870 0.320 0.000 1.095 468 L CA 0.407 55.396 54.840 0.249 0.000 0.770 468 L CB -0.177 41.998 42.059 0.194 0.000 0.914 468 L HN -0.033 nan 8.230 nan 0.000 0.439 469 I N 0.021 120.719 120.570 0.214 0.000 2.142 469 I HA -0.317 3.853 4.170 -0.000 0.000 0.240 469 I C 2.590 178.812 176.117 0.175 0.000 1.078 469 I CA 1.496 62.906 61.300 0.183 0.000 1.343 469 I CB -0.263 37.807 38.000 0.116 0.000 1.046 469 I HN 0.265 nan 8.210 nan 0.000 0.405 470 E N 0.713 121.009 120.200 0.160 0.000 2.160 470 E HA -0.251 4.099 4.350 -0.000 0.000 0.195 470 E C 2.021 178.737 176.600 0.193 0.000 0.991 470 E CA 1.130 57.640 56.400 0.183 0.000 0.810 470 E CB 0.151 29.944 29.700 0.155 0.000 0.742 470 E HN 0.374 nan 8.360 nan 0.000 0.466 471 E N 0.069 120.397 120.200 0.212 0.000 2.047 471 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 471 E C 2.281 178.977 176.600 0.159 0.000 0.987 471 E CA 0.924 57.456 56.400 0.220 0.000 0.799 471 E CB -0.372 29.555 29.700 0.379 0.000 0.752 471 E HN 0.190 nan 8.360 nan 0.000 0.449 472 V N 1.945 121.948 119.914 0.148 0.000 2.233 472 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 472 V C 2.507 178.726 176.094 0.209 0.000 1.050 472 V CA 2.116 64.442 62.300 0.043 0.000 1.010 472 V CB -1.046 30.796 31.823 0.032 0.000 0.637 472 V HN 0.279 nan 8.190 nan 0.000 0.444 473 A N 1.278 124.264 122.820 0.277 0.000 1.884 473 A HA -0.310 4.010 4.320 -0.000 0.000 0.219 473 A C 2.350 180.180 177.584 0.410 0.000 1.197 473 A CA 2.665 54.907 52.037 0.342 0.000 0.637 473 A CB -0.703 18.427 19.000 0.217 0.000 0.827 473 A HN 0.708 nan 8.150 nan 0.000 0.450 474 R N -0.853 119.821 120.500 0.289 0.000 2.096 474 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 474 R C 1.685 178.010 176.300 0.040 0.000 1.127 474 R CA 1.788 57.927 56.100 0.066 0.000 0.968 474 R CB -0.537 29.710 30.300 -0.089 0.000 0.861 474 R HN 0.430 nan 8.270 nan 0.000 0.440 475 I N 0.309 120.921 120.570 0.069 0.000 2.400 475 I HA -0.135 4.035 4.170 -0.000 0.000 0.248 475 I C 2.366 178.519 176.117 0.059 0.000 1.109 475 I CA 0.729 62.039 61.300 0.015 0.000 1.425 475 I CB -1.224 36.767 38.000 -0.015 0.000 1.094 475 I HN 0.101 nan 8.210 nan 0.000 0.425 476 Y N 2.264 122.585 120.300 0.035 0.000 2.040 476 Y HA -0.115 4.435 4.550 -0.001 0.000 0.275 476 Y C 1.116 177.065 175.900 0.081 0.000 1.171 476 Y CA 1.555 59.692 58.100 0.062 0.000 1.123 476 Y CB -0.087 38.471 38.460 0.164 0.000 0.963 476 Y HN 0.259 nan 8.280 nan 0.000 0.493 477 G N -2.583 106.296 108.800 0.132 0.000 2.952 477 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.431 477 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.431 477 G C -0.592 174.434 174.900 0.210 0.000 1.325 477 G CA -0.311 44.813 45.100 0.040 0.000 1.146 477 G HN 0.164 nan 8.290 nan 0.000 0.581 478 Y N 1.289 121.587 120.300 -0.003 0.000 2.228 478 Y HA -0.177 4.373 4.550 -0.000 0.000 0.285 478 Y C 2.527 178.421 175.900 -0.010 0.000 1.178 478 Y CA 2.200 60.297 58.100 -0.005 0.000 1.202 478 Y CB -0.286 38.163 38.460 -0.019 0.000 0.974 478 Y HN 0.734 nan 8.280 nan 0.000 0.527 479 D N -0.471 120.002 120.400 0.121 0.000 2.190 479 D HA -0.164 4.476 4.640 -0.000 0.000 0.200 479 D C 1.639 177.961 176.300 0.035 0.000 0.992 479 D CA 1.591 55.618 54.000 0.045 0.000 0.854 479 D CB -0.106 40.693 40.800 -0.001 0.000 0.936 479 D HN 0.408 nan 8.370 nan 0.000 0.462 480 E N -0.087 120.146 120.200 0.055 0.000 2.476 480 E HA 0.039 4.388 4.350 -0.000 0.000 0.199 480 E C 0.418 177.170 176.600 0.254 0.000 1.021 480 E CA -0.225 56.242 56.400 0.113 0.000 0.907 480 E CB 0.539 30.206 29.700 -0.054 0.000 0.974 480 E HN 0.253 nan 8.360 nan 0.000 0.489 481 I N 4.837 125.492 120.570 0.142 0.000 2.919 481 I HA -0.054 4.116 4.170 -0.000 0.000 0.299 481 I C -1.846 174.273 176.117 0.002 0.000 1.221 481 I CA -1.944 59.348 61.300 -0.014 0.000 1.424 481 I CB -0.991 36.889 38.000 -0.201 0.000 1.358 481 I HN -0.156 nan 8.210 nan 0.000 0.551 482 P HA 0.023 nan 4.420 nan 0.000 0.267 482 P C -0.204 177.076 177.300 -0.033 0.000 1.200 482 P CA -0.241 62.865 63.100 0.010 0.000 0.772 482 P CB 0.604 32.315 31.700 0.018 0.000 0.855 483 S N 1.188 116.875 115.700 -0.022 0.000 2.430 483 S HA 0.465 4.934 4.470 -0.000 0.000 0.289 483 S C -0.019 174.560 174.600 -0.036 0.000 1.143 483 S CA -0.321 57.858 58.200 -0.034 0.000 1.067 483 S CB -0.457 62.730 63.200 -0.023 0.000 0.964 483 S HN 0.583 nan 8.310 nan 0.000 0.485 484 S N 4.982 120.651 115.700 -0.051 0.000 2.632 484 S HA 0.777 5.247 4.470 -0.000 0.000 0.289 484 S C -1.248 173.312 174.600 -0.066 0.000 1.115 484 S CA -0.868 57.298 58.200 -0.056 0.000 0.889 484 S CB 0.963 64.126 63.200 -0.062 0.000 1.116 484 S HN 0.612 nan 8.310 nan 0.000 0.486 485 L N 2.286 123.463 121.223 -0.077 0.000 2.365 485 L HA 0.596 4.936 4.340 -0.000 0.000 0.273 485 L C -2.113 174.654 176.870 -0.172 0.000 1.000 485 L CA -1.968 52.813 54.840 -0.098 0.000 0.819 485 L CB 2.034 44.051 42.059 -0.070 0.000 1.284 485 L HN 0.639 nan 8.230 nan 0.000 0.418 486 P HA 0.184 nan 4.420 nan 0.000 0.275 486 P C -0.991 175.897 177.300 -0.687 0.000 1.227 486 P CA -0.277 62.553 63.100 -0.450 0.000 0.781 486 P CB 1.430 32.811 31.700 -0.532 0.000 0.906 487 V N 3.858 123.434 119.914 -0.563 0.000 2.357 487 V HA 0.266 4.386 4.120 -0.000 0.000 0.284 487 V C -0.189 175.667 176.094 -0.398 0.000 1.018 487 V CA -0.455 61.610 62.300 -0.393 0.000 0.841 487 V CB 0.412 32.130 31.823 -0.176 0.000 0.991 487 V HN 0.329 nan 8.190 nan 0.000 0.437 488 F N 2.694 122.644 119.950 -0.001 0.000 2.411 488 F HA 0.528 5.054 4.527 -0.001 0.000 0.355 488 F C 1.448 177.248 175.800 0.000 0.000 1.117 488 F CA -0.526 57.474 58.000 -0.000 0.000 1.139 488 F CB 1.389 40.390 39.000 0.001 0.000 1.120 488 F HN 0.551 nan 8.300 nan 0.000 0.493 489 G N 1.810 110.705 108.800 0.158 0.000 2.494 489 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.216 489 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.216 489 G C 0.314 175.266 174.900 0.087 0.000 1.140 489 G CA 0.007 45.159 45.100 0.086 0.000 0.801 489 G HN 0.576 nan 8.290 nan 0.000 0.536 490 E N 0.934 121.200 120.200 0.109 0.000 2.089 490 E HA 0.410 4.760 4.350 -0.000 0.000 0.284 490 E C -0.725 175.914 176.600 0.065 0.000 1.023 490 E CA -0.514 55.927 56.400 0.069 0.000 0.819 490 E CB 1.179 30.905 29.700 0.043 0.000 1.076 490 E HN -0.087 nan 8.360 nan 0.000 0.396 491 V N 5.182 125.126 119.914 0.049 0.000 2.427 491 V HA 0.525 4.645 4.120 -0.000 0.000 0.286 491 V C 0.056 176.161 176.094 0.019 0.000 1.034 491 V CA -0.164 62.166 62.300 0.050 0.000 0.893 491 V CB 1.304 33.156 31.823 0.049 0.000 0.982 491 V HN 0.927 nan 8.190 nan 0.000 0.452 492 T N 0.567 115.125 114.554 0.008 0.000 2.916 492 T HA 0.479 4.829 4.350 -0.000 0.000 0.305 492 T C -0.426 174.273 174.700 -0.002 0.000 1.119 492 T CA -0.687 61.408 62.100 -0.009 0.000 1.008 492 T CB 1.734 70.579 68.868 -0.038 0.000 1.129 492 T HN 0.524 nan 8.240 nan 0.000 0.480 493 S N 0.923 116.624 115.700 0.000 0.000 2.499 493 S HA 0.537 5.007 4.470 -0.000 0.000 0.275 493 S C 0.841 175.441 174.600 0.000 0.000 1.257 493 S CA -0.376 57.827 58.200 0.006 0.000 1.050 493 S CB -0.422 62.782 63.200 0.008 0.000 0.937 493 S HN 1.154 nan 8.310 nan 0.000 0.490 494 G N 4.225 113.028 108.800 0.005 0.000 2.365 494 G HA2 0.439 4.399 3.960 -0.000 0.000 0.293 494 G HA3 0.439 4.399 3.960 -0.000 0.000 0.293 494 G C -0.578 174.333 174.900 0.017 0.000 1.128 494 G CA -0.362 44.739 45.100 0.003 0.000 0.971 494 G HN 0.757 nan 8.290 nan 0.000 0.422 495 E N 1.466 121.677 120.200 0.019 0.000 2.383 495 E HA 0.277 4.627 4.350 -0.000 0.000 0.275 495 E C -0.389 176.242 176.600 0.051 0.000 0.918 495 E CA -0.890 55.533 56.400 0.039 0.000 0.764 495 E CB 2.247 31.965 29.700 0.030 0.000 1.252 495 E HN 0.322 nan 8.360 nan 0.000 0.449 496 L N 2.000 123.277 121.223 0.090 0.000 2.485 496 L HA 0.071 4.411 4.340 -0.000 0.000 0.275 496 L C 1.108 178.034 176.870 0.092 0.000 1.207 496 L CA 0.044 54.947 54.840 0.105 0.000 0.855 496 L CB -0.164 42.001 42.059 0.177 0.000 1.114 496 L HN 0.689 nan 8.230 nan 0.000 0.485 497 T N -1.825 112.771 114.554 0.069 0.000 2.734 497 T HA -0.032 4.318 4.350 -0.000 0.000 0.314 497 T C 0.893 175.641 174.700 0.080 0.000 1.057 497 T CA -0.633 61.499 62.100 0.054 0.000 1.047 497 T CB 0.666 69.557 68.868 0.038 0.000 0.991 497 T HN 0.564 nan 8.240 nan 0.000 0.540 498 D N 0.398 120.826 120.400 0.046 0.000 2.154 498 D HA -0.182 4.457 4.640 -0.000 0.000 0.190 498 D C 2.171 178.519 176.300 0.080 0.000 1.003 498 D CA 1.917 55.945 54.000 0.047 0.000 0.849 498 D CB -0.332 40.475 40.800 0.011 0.000 0.942 498 D HN 0.774 nan 8.370 nan 0.000 0.446 499 R N 0.586 121.117 120.500 0.052 0.000 2.081 499 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 499 R C 2.236 178.594 176.300 0.097 0.000 1.131 499 R CA 1.430 57.559 56.100 0.048 0.000 0.960 499 R CB -0.153 30.155 30.300 0.012 0.000 0.856 499 R HN 0.205 nan 8.270 nan 0.000 0.436 500 Q N -0.966 118.893 119.800 0.098 0.000 2.135 500 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 500 Q C 1.972 178.038 176.000 0.110 0.000 0.981 500 Q CA 2.023 57.887 55.803 0.102 0.000 0.856 500 Q CB -0.184 28.603 28.738 0.083 0.000 0.902 500 Q HN 0.559 nan 8.270 nan 0.000 0.425 501 H N 0.518 119.617 119.070 0.048 0.000 2.357 501 H HA -0.031 4.525 4.556 -0.000 0.000 0.301 501 H C 1.693 177.054 175.328 0.056 0.000 1.082 501 H CA 1.447 57.522 56.048 0.045 0.000 1.342 501 H CB 0.326 30.109 29.762 0.035 0.000 1.389 501 H HN 0.020 nan 8.280 nan 0.000 0.511 502 K N -0.926 119.589 120.400 0.191 0.000 2.147 502 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 502 K C 2.049 178.738 176.600 0.148 0.000 1.049 502 K CA 1.687 58.063 56.287 0.149 0.000 0.936 502 K CB 0.063 32.633 32.500 0.117 0.000 0.722 502 K HN 0.282 nan 8.250 nan 0.000 0.446 503 T N 0.475 115.128 114.554 0.165 0.000 2.732 503 T HA -0.084 4.266 4.350 -0.000 0.000 0.261 503 T C 1.811 176.549 174.700 0.064 0.000 1.040 503 T CA 1.062 63.272 62.100 0.182 0.000 1.145 503 T CB -0.101 68.899 68.868 0.219 0.000 0.866 503 T HN 0.186 nan 8.240 nan 0.000 0.427 504 R N 0.479 120.984 120.500 0.007 0.000 2.091 504 R HA -0.084 4.256 4.340 -0.000 0.000 0.238 504 R C 2.724 178.992 176.300 -0.052 0.000 1.136 504 R CA 1.743 57.816 56.100 -0.044 0.000 0.959 504 R CB -0.559 29.673 30.300 -0.113 0.000 0.856 504 R HN 0.298 nan 8.270 nan 0.000 0.437 505 T N 1.191 115.712 114.554 -0.056 0.000 2.737 505 T HA -0.114 4.235 4.350 -0.000 0.000 0.265 505 T C 1.702 176.391 174.700 -0.020 0.000 1.038 505 T CA 1.137 63.219 62.100 -0.031 0.000 1.144 505 T CB -0.209 68.668 68.868 0.016 0.000 0.866 505 T HN 0.135 nan 8.240 nan 0.000 0.434 506 L N 1.063 122.286 121.223 -0.001 0.000 2.042 506 L HA -0.122 4.217 4.340 -0.000 0.000 0.210 506 L C 2.225 179.017 176.870 -0.129 0.000 1.076 506 L CA 1.854 56.673 54.840 -0.034 0.000 0.749 506 L CB -0.330 41.747 42.059 0.030 0.000 0.893 506 L HN 0.103 nan 8.230 nan 0.000 0.432 507 K N -0.559 119.778 120.400 -0.105 0.000 2.032 507 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 507 K C 2.072 178.613 176.600 -0.098 0.000 1.048 507 K CA 1.569 57.776 56.287 -0.134 0.000 0.927 507 K CB -0.247 32.282 32.500 0.048 0.000 0.712 507 K HN 0.254 nan 8.250 nan 0.000 0.441 508 E N 0.164 120.337 120.200 -0.044 0.000 2.160 508 E HA -0.183 4.166 4.350 -0.000 0.000 0.195 508 E C 2.101 178.677 176.600 -0.040 0.000 0.991 508 E CA 1.272 57.658 56.400 -0.024 0.000 0.810 508 E CB -0.321 29.368 29.700 -0.018 0.000 0.742 508 E HN 0.260 nan 8.360 nan 0.000 0.466 509 T N 0.378 114.890 114.554 -0.069 0.000 2.851 509 T HA -0.005 4.345 4.350 -0.000 0.000 0.262 509 T C 2.081 176.729 174.700 -0.085 0.000 1.043 509 T CA 0.426 62.488 62.100 -0.062 0.000 1.140 509 T CB -0.045 68.788 68.868 -0.058 0.000 0.872 509 T HN 0.016 nan 8.240 nan 0.000 0.446 510 L N 0.597 121.712 121.223 -0.179 0.000 1.990 510 L HA -0.132 4.207 4.340 -0.000 0.000 0.213 510 L C 2.692 179.526 176.870 -0.060 0.000 1.072 510 L CA 1.883 56.585 54.840 -0.230 0.000 0.755 510 L CB -0.569 41.067 42.059 -0.704 0.000 0.889 510 L HN 0.300 nan 8.230 nan 0.000 0.432 511 E N 0.041 120.232 120.200 -0.014 0.000 2.058 511 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 511 E C 2.240 178.875 176.600 0.057 0.000 0.997 511 E CA 1.185 57.637 56.400 0.088 0.000 0.801 511 E CB -0.491 29.268 29.700 0.097 0.000 0.746 511 E HN 0.545 nan 8.360 nan 0.000 0.450 512 G N 0.901 109.716 108.800 0.025 0.000 2.503 512 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.221 512 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.221 512 G C 1.495 176.418 174.900 0.039 0.000 1.131 512 G CA 0.995 46.109 45.100 0.022 0.000 0.756 512 G HN 0.381 nan 8.290 nan 0.000 0.572 513 A N -0.717 122.138 122.820 0.058 0.000 2.238 513 A HA 0.487 4.807 4.320 -0.000 0.000 0.208 513 A C 1.935 179.639 177.584 0.200 0.000 1.177 513 A CA 1.205 53.319 52.037 0.127 0.000 0.804 513 A CB -0.318 18.748 19.000 0.110 0.000 0.823 513 A HN 1.666 nan 8.150 nan 0.000 0.482 514 G N -1.976 106.908 108.800 0.140 0.000 2.184 514 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.206 514 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.206 514 G C -0.193 174.815 174.900 0.181 0.000 0.995 514 G CA -0.035 45.152 45.100 0.145 0.000 0.651 514 G HN 0.304 nan 8.290 nan 0.000 0.511 515 L N 2.020 123.365 121.223 0.204 0.000 2.305 515 L HA 0.459 4.798 4.340 -0.000 0.000 0.281 515 L C 0.304 177.341 176.870 0.278 0.000 1.085 515 L CA -0.717 54.278 54.840 0.259 0.000 0.813 515 L CB 0.858 43.124 42.059 0.345 0.000 1.157 515 L HN 0.106 nan 8.230 nan 0.000 0.436 516 N N 2.588 121.395 118.700 0.178 0.000 2.499 516 N HA 0.083 4.823 4.740 -0.000 0.000 0.281 516 N C -0.331 175.114 175.510 -0.107 0.000 1.098 516 N CA -0.371 52.724 53.050 0.073 0.000 0.979 516 N CB 1.183 39.681 38.487 0.019 0.000 1.121 516 N HN 0.571 nan 8.380 nan 0.000 0.466 517 Q N 1.360 121.016 119.800 -0.240 0.000 2.281 517 Q HA 0.304 4.644 4.340 -0.000 0.000 0.267 517 Q C -0.791 174.955 176.000 -0.423 0.000 1.053 517 Q CA -0.409 54.970 55.803 -0.707 0.000 0.905 517 Q CB 0.460 28.940 28.738 -0.430 0.000 1.195 517 Q HN 0.635 nan 8.270 nan 0.000 0.398 518 A N 5.161 127.711 122.820 -0.449 0.000 2.295 518 A HA 0.659 4.979 4.320 -0.000 0.000 0.318 518 A C -0.584 176.851 177.584 -0.249 0.000 1.134 518 A CA -0.621 51.254 52.037 -0.269 0.000 0.827 518 A CB 0.776 19.651 19.000 -0.209 0.000 1.136 518 A HN 0.834 nan 8.150 nan 0.000 0.493 519 I N 1.511 121.959 120.570 -0.205 0.000 2.466 519 I HA 0.397 4.566 4.170 -0.000 0.000 0.289 519 I C 0.249 176.232 176.117 -0.224 0.000 1.026 519 I CA -0.340 60.849 61.300 -0.186 0.000 1.078 519 I CB 2.396 40.295 38.000 -0.169 0.000 1.249 519 I HN 0.835 nan 8.210 nan 0.000 0.429 520 T N 1.432 115.883 114.554 -0.171 0.000 2.940 520 T HA 0.527 4.876 4.350 -0.000 0.000 0.288 520 T C -0.563 174.066 174.700 -0.117 0.000 1.045 520 T CA -0.693 61.302 62.100 -0.176 0.000 1.018 520 T CB 1.220 70.097 68.868 0.014 0.000 1.151 520 T HN 0.156 nan 8.240 nan 0.000 0.529 521 Y N 1.283 121.614 120.300 0.051 0.000 2.442 521 Y HA 0.267 4.817 4.550 0.000 0.000 0.330 521 Y C 2.092 178.154 175.900 0.270 0.000 1.129 521 Y CA -0.273 57.890 58.100 0.105 0.000 1.365 521 Y CB 0.468 38.945 38.460 0.028 0.000 1.233 521 Y HN 0.800 nan 8.280 nan 0.000 0.529 522 S N 2.150 118.043 115.700 0.321 0.000 2.399 522 S HA -0.059 4.410 4.470 -0.000 0.000 0.231 522 S C 0.557 175.249 174.600 0.152 0.000 1.022 522 S CA 0.584 58.915 58.200 0.219 0.000 0.983 522 S CB -0.191 63.100 63.200 0.151 0.000 0.803 522 S HN 0.433 nan 8.310 nan 0.000 0.480 523 L N 2.625 123.972 121.223 0.207 0.000 2.292 523 L HA 0.455 4.795 4.340 -0.000 0.000 0.284 523 L C 0.019 177.068 176.870 0.299 0.000 1.065 523 L CA -0.691 54.252 54.840 0.172 0.000 0.806 523 L CB 1.135 43.276 42.059 0.137 0.000 1.175 523 L HN 0.052 nan 8.230 nan 0.000 0.431 524 V N -0.229 119.731 119.914 0.076 0.000 3.181 524 V HA 0.688 4.808 4.120 -0.000 0.000 0.314 524 V C 0.245 176.342 176.094 0.004 0.000 1.173 524 V CA -0.843 61.456 62.300 -0.002 0.000 1.052 524 V CB 1.726 33.460 31.823 -0.149 0.000 1.123 524 V HN 0.782 nan 8.190 nan 0.000 0.454 525 S N -0.103 115.612 115.700 0.025 0.000 2.573 525 S HA 0.153 4.623 4.470 -0.000 0.000 0.277 525 S C 0.975 175.573 174.600 -0.003 0.000 1.346 525 S CA 0.531 58.737 58.200 0.010 0.000 1.034 525 S CB 0.532 63.763 63.200 0.052 0.000 0.879 525 S HN 1.042 nan 8.310 nan 0.000 0.528 526 K N 0.881 121.265 120.400 -0.027 0.000 2.113 526 K HA -0.226 4.094 4.320 -0.000 0.000 0.208 526 K C 1.298 177.863 176.600 -0.057 0.000 1.047 526 K CA 1.914 58.181 56.287 -0.034 0.000 0.928 526 K CB -0.360 32.118 32.500 -0.037 0.000 0.716 526 K HN 0.741 nan 8.250 nan 0.000 0.446 527 D N -0.085 120.255 120.400 -0.101 0.000 2.182 527 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 527 D C 1.402 177.527 176.300 -0.292 0.000 0.986 527 D CA 1.049 54.923 54.000 -0.209 0.000 0.847 527 D CB 0.049 40.676 40.800 -0.288 0.000 0.942 527 D HN 0.385 nan 8.370 nan 0.000 0.467 528 H N -1.092 117.955 119.070 -0.039 0.000 2.551 528 H HA 0.314 4.869 4.556 -0.000 0.000 0.271 528 H C 1.645 176.955 175.328 -0.029 0.000 0.984 528 H CA 0.365 56.391 56.048 -0.037 0.000 1.164 528 H CB 0.600 30.343 29.762 -0.031 0.000 1.437 528 H HN 0.060 nan 8.280 nan 0.000 0.550 529 A N 0.962 123.811 122.820 0.049 0.000 2.066 529 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 529 A C 2.022 179.640 177.584 0.057 0.000 1.157 529 A CA 0.972 53.031 52.037 0.037 0.000 0.670 529 A CB -0.016 18.990 19.000 0.009 0.000 0.804 529 A HN 0.188 nan 8.150 nan 0.000 0.453 530 K N 0.240 120.668 120.400 0.047 0.000 2.374 530 K HA 0.074 4.394 4.320 -0.000 0.000 0.196 530 K C -0.749 175.880 176.600 0.048 0.000 1.023 530 K CA -0.245 56.080 56.287 0.064 0.000 1.103 530 K CB 0.206 32.728 32.500 0.037 0.000 0.848 530 K HN 0.331 nan 8.250 nan 0.000 0.528 531 D N 1.073 121.487 120.400 0.022 0.000 2.506 531 D HA -0.081 4.559 4.640 -0.000 0.000 0.234 531 D C 0.563 176.892 176.300 0.050 0.000 1.143 531 D CA 0.505 54.427 54.000 -0.130 0.000 0.871 531 D CB 0.119 40.866 40.800 -0.087 0.000 1.190 531 D HN 0.047 nan 8.370 nan 0.000 0.459 532 F N -1.505 118.507 119.950 0.102 0.000 3.108 532 F HA -0.318 4.209 4.527 -0.000 0.000 0.283 532 F C 1.203 177.143 175.800 0.234 0.000 0.834 532 F CA 0.535 58.611 58.000 0.126 0.000 0.990 532 F CB -2.183 36.966 39.000 0.248 0.000 1.229 532 F HN 0.368 nan 8.300 nan 0.000 0.461 533 A N 0.770 123.779 122.820 0.315 0.000 2.540 533 A HA 0.361 4.680 4.320 -0.000 0.000 0.239 533 A C 1.238 178.990 177.584 0.279 0.000 1.061 533 A CA 0.058 52.305 52.037 0.351 0.000 0.758 533 A CB 0.292 19.464 19.000 0.286 0.000 0.991 533 A HN 0.401 nan 8.150 nan 0.000 0.502 534 L N 0.970 122.374 121.223 0.302 0.000 1.925 534 L HA -0.066 4.274 4.340 -0.000 0.000 0.214 534 L C 0.362 177.289 176.870 0.094 0.000 1.091 534 L CA 0.486 55.445 54.840 0.198 0.000 0.768 534 L CB -0.667 41.508 42.059 0.192 0.000 0.887 534 L HN 0.701 nan 8.230 nan 0.000 0.433 535 Q N 0.615 120.434 119.800 0.031 0.000 2.451 535 Q HA -0.191 4.149 4.340 -0.000 0.000 0.334 535 Q C -0.337 175.681 176.000 0.030 0.000 1.462 535 Q CA 0.692 56.485 55.803 -0.016 0.000 0.876 535 Q CB -1.680 27.070 28.738 0.021 0.000 1.125 535 Q HN 0.527 nan 8.270 nan 0.000 0.358 536 E N 1.642 121.847 120.200 0.008 0.000 1.861 536 E HA 0.260 4.610 4.350 -0.000 0.000 0.263 536 E C -0.301 176.316 176.600 0.029 0.000 1.137 536 E CA -0.010 56.407 56.400 0.029 0.000 0.944 536 E CB 0.416 30.128 29.700 0.019 0.000 1.092 536 E HN 0.213 nan 8.360 nan 0.000 0.420 537 R N 3.617 124.164 120.500 0.078 0.000 2.854 537 R HA 0.487 4.826 4.340 -0.000 0.000 0.271 537 R C -2.531 173.858 176.300 0.149 0.000 0.994 537 R CA -2.404 53.758 56.100 0.103 0.000 0.945 537 R CB 1.343 31.708 30.300 0.107 0.000 1.194 537 R HN 0.323 nan 8.270 nan 0.000 0.476 538 P HA 0.046 nan 4.420 nan 0.000 0.275 538 P C -0.253 177.120 177.300 0.121 0.000 1.227 538 P CA -0.236 62.924 63.100 0.100 0.000 0.781 538 P CB 0.701 32.446 31.700 0.074 0.000 0.906 539 T N -0.285 114.316 114.554 0.079 0.000 2.824 539 T HA 0.531 4.880 4.350 -0.000 0.000 0.277 539 T C 0.233 174.950 174.700 0.029 0.000 0.975 539 T CA -0.703 61.430 62.100 0.056 0.000 0.966 539 T CB 0.463 69.349 68.868 0.030 0.000 1.054 539 T HN 0.134 nan 8.240 nan 0.000 0.533 540 I N 2.115 122.684 120.570 -0.002 0.000 2.390 540 I HA 0.305 4.475 4.170 -0.000 0.000 0.283 540 I C -0.079 176.003 176.117 -0.058 0.000 1.016 540 I CA -0.501 60.782 61.300 -0.028 0.000 1.151 540 I CB 1.029 38.995 38.000 -0.057 0.000 1.293 540 I HN 0.682 nan 8.210 nan 0.000 0.458 541 S N 6.617 122.293 115.700 -0.040 0.000 2.525 541 S HA 0.626 5.096 4.470 -0.000 0.000 0.290 541 S C 0.117 174.690 174.600 -0.046 0.000 1.152 541 S CA -0.663 57.511 58.200 -0.042 0.000 1.072 541 S CB 1.836 65.019 63.200 -0.028 0.000 1.027 541 S HN 0.357 nan 8.310 nan 0.000 0.500 542 L N 3.342 124.537 121.223 -0.048 0.000 2.426 542 L HA 0.216 4.556 4.340 -0.000 0.000 0.271 542 L C 1.595 178.447 176.870 -0.030 0.000 1.169 542 L CA -0.401 54.413 54.840 -0.043 0.000 0.836 542 L CB 0.066 42.100 42.059 -0.043 0.000 1.112 542 L HN 0.680 nan 8.230 nan 0.000 0.465 543 L N 2.111 123.318 121.223 -0.027 0.000 2.012 543 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 543 L C 1.089 177.947 176.870 -0.019 0.000 1.073 543 L CA 1.946 56.773 54.840 -0.021 0.000 0.748 543 L CB -0.102 41.946 42.059 -0.019 0.000 0.891 543 L HN 0.684 nan 8.230 nan 0.000 0.431 544 M N -0.180 119.408 119.600 -0.020 0.000 2.693 544 M HA 0.285 4.765 4.480 -0.000 0.000 0.224 544 M C -2.296 173.994 176.300 -0.017 0.000 1.149 544 M CA -1.599 53.691 55.300 -0.017 0.000 0.622 544 M CB 1.318 33.908 32.600 -0.015 0.000 1.443 544 M HN -0.144 nan 8.290 nan 0.000 0.431 545 P HA 0.137 nan 4.420 nan 0.000 0.270 545 P C 0.373 177.668 177.300 -0.008 0.000 1.223 545 P CA -0.150 62.944 63.100 -0.011 0.000 0.785 545 P CB 0.865 32.560 31.700 -0.007 0.000 0.923 546 M N -0.703 118.894 119.600 -0.005 0.000 2.486 546 M HA 0.064 4.544 4.480 -0.000 0.000 0.264 546 M C 0.804 177.108 176.300 0.006 0.000 1.125 546 M CA 0.900 56.196 55.300 -0.006 0.000 1.144 546 M CB -0.226 32.362 32.600 -0.019 0.000 1.353 546 M HN 0.385 nan 8.290 nan 0.000 0.466 547 S N -0.382 115.332 115.700 0.023 0.000 2.541 547 S HA 0.281 4.750 4.470 -0.000 0.000 0.280 547 S C 0.523 175.119 174.600 -0.007 0.000 1.112 547 S CA -0.535 57.678 58.200 0.021 0.000 0.925 547 S CB 1.625 64.876 63.200 0.086 0.000 1.067 547 S HN 0.238 nan 8.310 nan 0.000 0.479 548 E N 2.149 122.332 120.200 -0.029 0.000 2.204 548 E HA -0.119 4.230 4.350 -0.000 0.000 0.195 548 E C 1.891 178.441 176.600 -0.083 0.000 0.990 548 E CA 1.102 57.477 56.400 -0.042 0.000 0.821 548 E CB -0.087 29.593 29.700 -0.033 0.000 0.750 548 E HN 0.698 nan 8.360 nan 0.000 0.477 549 A N 0.755 123.471 122.820 -0.172 0.000 2.067 549 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 549 A C 0.800 178.068 177.584 -0.528 0.000 1.158 549 A CA 0.903 52.716 52.037 -0.373 0.000 0.661 549 A CB -0.008 18.651 19.000 -0.568 0.000 0.801 549 A HN 0.212 nan 8.150 nan 0.000 0.452 550 H N -1.662 117.403 119.070 -0.008 0.000 2.379 550 H HA 0.575 5.131 4.556 -0.001 0.000 0.229 550 H C 0.609 175.910 175.328 -0.045 0.000 1.423 550 H CA 0.341 56.369 56.048 -0.034 0.000 1.375 550 H CB 0.393 30.088 29.762 -0.111 0.000 1.592 550 H HN 0.374 nan 8.280 nan 0.000 0.507 551 A N 0.405 123.243 122.820 0.030 0.000 2.138 551 A HA 0.244 4.564 4.320 -0.000 0.000 0.203 551 A C 0.708 178.279 177.584 -0.021 0.000 1.286 551 A CA 0.488 52.524 52.037 -0.003 0.000 0.929 551 A CB 0.713 19.704 19.000 -0.016 0.000 0.975 551 A HN 0.262 nan 8.150 nan 0.000 0.480 552 T N 0.315 114.856 114.554 -0.022 0.000 2.909 552 T HA 0.551 4.901 4.350 -0.000 0.000 0.299 552 T C -0.747 173.915 174.700 -0.065 0.000 1.073 552 T CA -0.449 61.624 62.100 -0.045 0.000 0.999 552 T CB 1.614 70.464 68.868 -0.031 0.000 1.098 552 T HN 0.189 nan 8.240 nan 0.000 0.477 553 L N 3.321 124.468 121.223 -0.125 0.000 2.367 553 L HA 0.387 4.727 4.340 -0.000 0.000 0.275 553 L C 1.319 178.159 176.870 -0.050 0.000 1.129 553 L CA -0.747 53.988 54.840 -0.176 0.000 0.839 553 L CB 0.355 42.128 42.059 -0.476 0.000 1.133 553 L HN 0.589 nan 8.230 nan 0.000 0.453 554 R N 3.044 123.545 120.500 0.002 0.000 2.640 554 R HA -0.002 4.338 4.340 -0.000 0.000 0.270 554 R C 0.018 176.297 176.300 -0.035 0.000 1.024 554 R CA -0.062 56.039 56.100 0.001 0.000 1.085 554 R CB 0.508 30.805 30.300 -0.006 0.000 0.963 554 R HN 0.671 nan 8.270 nan 0.000 0.426 555 Q N 0.494 120.260 119.800 -0.055 0.000 2.282 555 Q HA 0.104 4.444 4.340 -0.000 0.000 0.206 555 Q C -0.303 175.687 176.000 -0.016 0.000 0.878 555 Q CA 0.030 55.732 55.803 -0.168 0.000 0.944 555 Q CB 0.949 29.702 28.738 0.026 0.000 1.100 555 Q HN 0.694 nan 8.270 nan 0.000 0.509 556 S N -0.827 114.917 115.700 0.074 0.000 2.541 556 S HA 0.363 4.833 4.470 -0.000 0.000 0.271 556 S C 0.158 174.826 174.600 0.114 0.000 1.133 556 S CA -0.629 57.703 58.200 0.220 0.000 0.876 556 S CB 0.954 64.400 63.200 0.411 0.000 1.105 556 S HN 0.243 nan 8.310 nan 0.000 0.470 557 L N 3.831 125.129 121.223 0.125 0.000 2.418 557 L HA 0.100 4.440 4.340 -0.000 0.000 0.218 557 L C 1.752 178.627 176.870 0.007 0.000 1.125 557 L CA 0.547 55.416 54.840 0.048 0.000 0.835 557 L CB -0.421 41.662 42.059 0.039 0.000 0.953 557 L HN 0.667 nan 8.230 nan 0.000 0.454 558 L N -0.113 121.097 121.223 -0.022 0.000 2.056 558 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 558 L C -0.162 176.707 176.870 -0.002 0.000 1.078 558 L CA 1.092 55.856 54.840 -0.126 0.000 0.749 558 L CB -1.939 39.826 42.059 -0.491 0.000 0.901 558 L HN 0.179 nan 8.230 nan 0.000 0.433 559 P HA -0.211 nan 4.420 nan 0.000 0.216 559 P C 1.317 178.653 177.300 0.061 0.000 1.157 559 P CA 1.740 64.878 63.100 0.064 0.000 0.880 559 P CB -0.084 31.601 31.700 -0.025 0.000 0.791 560 H N -1.978 117.096 119.070 0.007 0.000 2.502 560 H HA 0.092 4.647 4.556 -0.001 0.000 0.283 560 H C 1.940 177.250 175.328 -0.030 0.000 1.015 560 H CA 0.102 56.147 56.048 -0.004 0.000 1.298 560 H CB -0.214 29.565 29.762 0.028 0.000 1.411 560 H HN 0.064 nan 8.280 nan 0.000 0.556 561 L N 0.168 121.436 121.223 0.075 0.000 2.072 561 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 561 L C 2.099 178.969 176.870 0.001 0.000 1.079 561 L CA 0.910 55.747 54.840 -0.005 0.000 0.752 561 L CB -0.184 41.833 42.059 -0.070 0.000 0.906 561 L HN 0.301 nan 8.230 nan 0.000 0.436 562 I N -0.187 120.389 120.570 0.009 0.000 2.142 562 I HA -0.321 3.848 4.170 -0.000 0.000 0.240 562 I C 2.626 178.770 176.117 0.045 0.000 1.078 562 I CA 1.375 62.689 61.300 0.024 0.000 1.343 562 I CB -0.376 37.651 38.000 0.045 0.000 1.046 562 I HN 0.325 nan 8.210 nan 0.000 0.405 563 E N 1.256 121.490 120.200 0.056 0.000 2.114 563 E HA -0.323 4.027 4.350 -0.000 0.000 0.199 563 E C 2.182 178.823 176.600 0.069 0.000 1.008 563 E CA 1.739 58.177 56.400 0.063 0.000 0.810 563 E CB -0.053 29.696 29.700 0.080 0.000 0.739 563 E HN 0.540 nan 8.360 nan 0.000 0.456 564 A N -0.136 122.707 122.820 0.037 0.000 2.014 564 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 564 A C 2.274 179.923 177.584 0.107 0.000 1.163 564 A CA 1.659 53.715 52.037 0.031 0.000 0.652 564 A CB -0.439 18.544 19.000 -0.028 0.000 0.808 564 A HN 0.295 nan 8.150 nan 0.000 0.449 565 T N -0.003 114.596 114.554 0.075 0.000 2.770 565 T HA 0.106 4.456 4.350 -0.000 0.000 0.258 565 T C 2.340 177.089 174.700 0.082 0.000 1.039 565 T CA 1.273 63.415 62.100 0.070 0.000 1.143 565 T CB -0.477 68.415 68.868 0.040 0.000 0.866 565 T HN 0.560 nan 8.240 nan 0.000 0.428 566 A N 1.026 123.894 122.820 0.081 0.000 1.884 566 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 566 A C 2.065 179.707 177.584 0.097 0.000 1.197 566 A CA 2.190 54.274 52.037 0.078 0.000 0.637 566 A CB -1.352 17.693 19.000 0.076 0.000 0.827 566 A HN 0.602 nan 8.150 nan 0.000 0.450 567 Y N 1.138 121.442 120.300 0.007 0.000 2.151 567 Y HA -0.275 4.274 4.550 -0.000 0.000 0.284 567 Y C 2.407 178.311 175.900 0.006 0.000 1.166 567 Y CA 2.333 60.436 58.100 0.005 0.000 1.163 567 Y CB -0.246 38.213 38.460 -0.002 0.000 0.974 567 Y HN 0.368 nan 8.280 nan 0.000 0.511 568 N N -0.516 118.254 118.700 0.116 0.000 2.216 568 N HA -0.145 4.595 4.740 -0.000 0.000 0.183 568 N C 1.881 177.371 175.510 -0.034 0.000 1.017 568 N CA 1.508 54.580 53.050 0.037 0.000 0.861 568 N CB -0.175 38.370 38.487 0.096 0.000 0.986 568 N HN 0.288 nan 8.380 nan 0.000 0.428 569 V N 1.704 121.614 119.914 -0.006 0.000 2.379 569 V HA -0.126 3.993 4.120 -0.000 0.000 0.245 569 V C 2.407 178.475 176.094 -0.043 0.000 1.044 569 V CA 1.621 63.916 62.300 -0.008 0.000 1.036 569 V CB -0.773 31.059 31.823 0.015 0.000 0.664 569 V HN 0.247 nan 8.190 nan 0.000 0.453 570 A N -0.327 122.450 122.820 -0.071 0.000 2.076 570 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 570 A C 2.232 179.730 177.584 -0.143 0.000 1.160 570 A CA 1.693 53.672 52.037 -0.097 0.000 0.653 570 A CB -0.463 18.474 19.000 -0.106 0.000 0.801 570 A HN 0.478 nan 8.150 nan 0.000 0.455 571 R N -1.796 118.585 120.500 -0.198 0.000 2.359 571 R HA 0.179 4.519 4.340 -0.000 0.000 0.231 571 R C -0.032 176.211 176.300 -0.096 0.000 0.913 571 R CA 0.118 56.104 56.100 -0.190 0.000 1.075 571 R CB 0.054 30.178 30.300 -0.293 0.000 1.087 571 R HN 0.359 nan 8.270 nan 0.000 0.515 572 K N -0.329 120.033 120.400 -0.064 0.000 3.341 572 K HA -0.157 4.162 4.320 -0.000 0.000 0.305 572 K C -1.146 175.446 176.600 -0.012 0.000 1.270 572 K CA 0.871 57.140 56.287 -0.029 0.000 0.897 572 K CB -1.400 31.087 32.500 -0.022 0.000 1.264 572 K HN 0.231 nan 8.250 nan 0.000 0.468 573 N N 1.560 120.253 118.700 -0.012 0.000 2.448 573 N HA 0.042 4.782 4.740 -0.000 0.000 0.250 573 N C 0.580 176.104 175.510 0.023 0.000 1.136 573 N CA 0.081 53.138 53.050 0.012 0.000 0.953 573 N CB 0.954 39.454 38.487 0.022 0.000 1.251 573 N HN 0.328 nan 8.380 nan 0.000 0.502 574 K N -0.277 120.141 120.400 0.029 0.000 2.305 574 K HA 0.069 4.389 4.320 -0.000 0.000 0.199 574 K C -0.305 176.328 176.600 0.055 0.000 1.047 574 K CA 0.585 56.895 56.287 0.038 0.000 0.976 574 K CB 0.434 32.956 32.500 0.037 0.000 0.765 574 K HN 0.269 nan 8.250 nan 0.000 0.474 575 D N 1.630 122.066 120.400 0.059 0.000 2.427 575 D HA 0.202 4.842 4.640 -0.000 0.000 0.226 575 D C -1.029 175.317 176.300 0.078 0.000 1.076 575 D CA -0.315 53.731 54.000 0.078 0.000 0.849 575 D CB 1.977 42.824 40.800 0.077 0.000 1.052 575 D HN -0.208 nan 8.370 nan 0.000 0.515 576 V N 3.412 123.378 119.914 0.086 0.000 2.483 576 V HA 0.431 4.551 4.120 -0.000 0.000 0.297 576 V C -0.165 175.985 176.094 0.094 0.000 1.027 576 V CA -0.766 61.581 62.300 0.078 0.000 0.855 576 V CB 1.915 33.776 31.823 0.064 0.000 0.995 576 V HN 0.339 nan 8.190 nan 0.000 0.424 577 R N 5.732 126.292 120.500 0.100 0.000 2.483 577 R HA 0.789 5.128 4.340 -0.000 0.000 0.303 577 R C -1.543 174.819 176.300 0.104 0.000 0.987 577 R CA -0.580 55.594 56.100 0.123 0.000 0.881 577 R CB 2.071 32.476 30.300 0.174 0.000 1.177 577 R HN 0.541 nan 8.270 nan 0.000 0.451 578 L N 3.639 124.908 121.223 0.076 0.000 2.401 578 L HA 0.603 4.943 4.340 -0.000 0.000 0.266 578 L C -1.020 175.882 176.870 0.053 0.000 0.991 578 L CA -1.351 53.498 54.840 0.015 0.000 0.818 578 L CB 1.790 43.818 42.059 -0.052 0.000 1.321 578 L HN 0.607 nan 8.230 nan 0.000 0.413 579 Y N -0.070 120.213 120.300 -0.029 0.000 2.570 579 Y HA 0.811 5.361 4.550 -0.000 0.000 0.345 579 Y C -0.978 174.878 175.900 -0.073 0.000 1.014 579 Y CA -0.975 57.088 58.100 -0.062 0.000 1.063 579 Y CB 1.799 40.293 38.460 0.057 0.000 1.272 579 Y HN 0.592 nan 8.280 nan 0.000 0.477 580 E N 2.605 122.756 120.200 -0.081 0.000 2.314 580 E HA 0.599 4.949 4.350 -0.000 0.000 0.272 580 E C -1.921 174.698 176.600 0.031 0.000 0.884 580 E CA -0.879 55.432 56.400 -0.147 0.000 0.753 580 E CB 2.098 31.720 29.700 -0.130 0.000 1.213 580 E HN 0.805 nan 8.360 nan 0.000 0.432 581 I N 3.211 123.791 120.570 0.017 0.000 2.406 581 I HA 0.691 4.861 4.170 -0.000 0.000 0.290 581 I C 0.283 176.391 176.117 -0.015 0.000 0.999 581 I CA -0.456 60.832 61.300 -0.021 0.000 1.124 581 I CB 1.692 39.633 38.000 -0.098 0.000 1.289 581 I HN 0.660 nan 8.210 nan 0.000 0.441 582 G N 5.443 114.245 108.800 0.004 0.000 2.495 582 G HA2 0.509 4.469 3.960 -0.000 0.000 0.294 582 G HA3 0.509 4.469 3.960 -0.000 0.000 0.294 582 G C -1.572 173.290 174.900 -0.063 0.000 1.397 582 G CA -0.893 44.200 45.100 -0.013 0.000 0.790 582 G HN 0.449 nan 8.290 nan 0.000 0.486 583 R N -1.192 119.222 120.500 -0.145 0.000 2.720 583 R HA 0.776 5.116 4.340 -0.000 0.000 0.272 583 R C -0.056 175.907 176.300 -0.563 0.000 0.991 583 R CA -0.738 55.118 56.100 -0.406 0.000 1.010 583 R CB 2.111 32.050 30.300 -0.602 0.000 1.141 583 R HN 0.736 nan 8.270 nan 0.000 0.494 584 V N -1.448 117.957 119.914 -0.849 0.000 3.158 584 V HA 0.750 4.870 4.120 -0.000 0.000 0.311 584 V C -1.247 174.204 176.094 -1.071 0.000 1.181 584 V CA -0.960 60.879 62.300 -0.769 0.000 1.054 584 V CB 2.002 33.304 31.823 -0.868 0.000 1.085 584 V HN 0.591 nan 8.190 nan 0.000 0.446 585 F N 0.721 120.212 119.950 -0.764 0.000 2.574 585 F HA 0.816 5.344 4.527 0.000 0.000 0.313 585 F C -1.071 174.339 175.800 -0.651 0.000 1.130 585 F CA -0.382 57.310 58.000 -0.513 0.000 0.936 585 F CB 2.220 41.064 39.000 -0.259 0.000 1.219 585 F HN 0.424 nan 8.300 nan 0.000 0.445 586 F N 1.086 121.112 119.950 0.127 0.000 2.539 586 F HA 0.599 5.126 4.527 -0.001 0.000 0.318 586 F C 0.593 176.440 175.800 0.078 0.000 1.135 586 F CA -1.495 56.553 58.000 0.080 0.000 0.915 586 F CB 1.839 40.866 39.000 0.046 0.000 1.176 586 F HN 0.567 nan 8.300 nan 0.000 0.440 587 G N 2.052 110.989 108.800 0.229 0.000 2.340 587 G HA2 0.032 3.992 3.960 -0.000 0.000 0.245 587 G HA3 0.032 3.992 3.960 -0.000 0.000 0.245 587 G C 0.468 175.442 174.900 0.124 0.000 1.294 587 G CA -0.303 44.881 45.100 0.140 0.000 0.896 587 G HN 0.697 nan 8.290 nan 0.000 0.522 588 N N 0.957 119.715 118.700 0.096 0.000 2.236 588 N HA 0.141 4.881 4.740 -0.000 0.000 0.196 588 N C 1.249 176.790 175.510 0.052 0.000 1.114 588 N CA 0.812 53.905 53.050 0.072 0.000 0.859 588 N CB 0.593 39.121 38.487 0.067 0.000 0.982 588 N HN 1.045 nan 8.380 nan 0.000 0.493 589 G N 1.653 110.483 108.800 0.050 0.000 2.825 589 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.686 589 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.686 589 G C -0.403 174.515 174.900 0.029 0.000 1.362 589 G CA -0.020 45.102 45.100 0.036 0.000 0.975 589 G HN 0.252 nan 8.290 nan 0.000 0.594 590 E N -1.285 118.928 120.200 0.022 0.000 2.414 590 E HA 0.111 4.461 4.350 -0.000 0.000 0.284 590 E C 1.379 177.989 176.600 0.017 0.000 1.039 590 E CA 2.308 58.718 56.400 0.017 0.000 0.825 590 E CB -1.381 28.329 29.700 0.017 0.000 1.340 590 E HN 2.666 nan 8.360 nan 0.000 0.400 591 G N 0.660 109.470 108.800 0.016 0.000 2.356 591 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.296 591 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.296 591 G C -0.080 174.832 174.900 0.020 0.000 1.022 591 G CA 1.032 46.141 45.100 0.016 0.000 0.961 591 G HN 0.404 nan 8.290 nan 0.000 0.510 592 E N -0.731 119.485 120.200 0.027 0.000 2.207 592 E HA 0.593 4.942 4.350 -0.000 0.000 0.270 592 E C 0.635 177.260 176.600 0.041 0.000 0.927 592 E CA -1.211 55.209 56.400 0.032 0.000 0.799 592 E CB 1.613 31.333 29.700 0.034 0.000 1.172 592 E HN 0.203 nan 8.360 nan 0.000 0.404 593 L N 3.389 124.639 121.223 0.045 0.000 2.525 593 L HA 0.109 4.449 4.340 -0.000 0.000 0.278 593 L C -1.763 175.154 176.870 0.079 0.000 1.218 593 L CA -1.323 53.553 54.840 0.058 0.000 0.878 593 L CB -0.243 41.849 42.059 0.056 0.000 1.127 593 L HN 0.309 nan 8.230 nan 0.000 0.492 594 P HA 0.115 nan 4.420 nan 0.000 0.277 594 P C -1.167 176.214 177.300 0.136 0.000 1.271 594 P CA -0.595 62.587 63.100 0.136 0.000 0.795 594 P CB 0.550 32.358 31.700 0.180 0.000 1.101 595 D N 0.510 121.006 120.400 0.160 0.000 2.338 595 D HA 0.100 4.740 4.640 -0.000 0.000 0.255 595 D C -0.013 176.342 176.300 0.092 0.000 1.237 595 D CA 0.340 54.431 54.000 0.150 0.000 0.883 595 D CB 0.016 40.946 40.800 0.216 0.000 1.087 595 D HN 0.218 nan 8.370 nan 0.000 0.485 596 E N 1.425 121.617 120.200 -0.014 0.000 2.174 596 E HA 0.385 4.735 4.350 -0.000 0.000 0.282 596 E C -0.616 175.878 176.600 -0.177 0.000 0.992 596 E CA -0.776 55.468 56.400 -0.261 0.000 0.803 596 E CB 1.800 31.350 29.700 -0.249 0.000 1.090 596 E HN 0.095 nan 8.360 nan 0.000 0.396 597 V N 2.749 122.505 119.914 -0.263 0.000 2.487 597 V HA 0.147 4.266 4.120 -0.000 0.000 0.298 597 V C -0.084 175.928 176.094 -0.136 0.000 1.028 597 V CA -0.918 61.335 62.300 -0.078 0.000 0.860 597 V CB 1.659 33.566 31.823 0.141 0.000 0.991 597 V HN 0.633 nan 8.190 nan 0.000 0.427 598 E N 3.248 123.480 120.200 0.052 0.000 2.290 598 E HA 0.341 4.691 4.350 -0.000 0.000 0.277 598 E C -1.424 175.416 176.600 0.401 0.000 1.035 598 E CA 0.159 56.649 56.400 0.150 0.000 0.873 598 E CB 0.401 30.241 29.700 0.234 0.000 1.029 598 E HN 0.458 nan 8.360 nan 0.000 0.419 599 Y N 2.690 123.023 120.300 0.055 0.000 2.509 599 Y HA 0.483 5.033 4.550 -0.000 0.000 0.341 599 Y C -0.690 175.208 175.900 -0.002 0.000 1.038 599 Y CA -1.415 56.714 58.100 0.049 0.000 1.089 599 Y CB 1.467 39.924 38.460 -0.004 0.000 1.241 599 Y HN 0.413 nan 8.280 nan 0.000 0.468 600 L N 2.102 123.387 121.223 0.104 0.000 2.305 600 L HA 0.749 5.089 4.340 -0.000 0.000 0.284 600 L C -0.778 176.107 176.870 0.026 0.000 1.013 600 L CA 0.042 54.896 54.840 0.024 0.000 0.819 600 L CB 1.032 43.085 42.059 -0.010 0.000 1.227 600 L HN 0.550 nan 8.230 nan 0.000 0.417 601 S N 2.429 118.095 115.700 -0.057 0.000 2.661 601 S HA 1.032 5.502 4.470 -0.000 0.000 0.285 601 S C -0.386 173.804 174.600 -0.684 0.000 1.138 601 S CA -0.298 57.679 58.200 -0.372 0.000 0.855 601 S CB 1.826 64.877 63.200 -0.249 0.000 1.136 601 S HN 1.059 nan 8.310 nan 0.000 0.484 602 G N -0.325 107.720 108.800 -1.259 0.000 2.488 602 G HA2 0.664 4.623 3.960 -0.000 0.000 0.301 602 G HA3 0.664 4.623 3.960 -0.000 0.000 0.301 602 G C -2.189 172.314 174.900 -0.663 0.000 1.339 602 G CA -0.484 44.093 45.100 -0.872 0.000 0.803 602 G HN 0.853 nan 8.290 nan 0.000 0.482 603 I N -0.820 119.598 120.570 -0.254 0.000 2.785 603 I HA 0.679 4.848 4.170 -0.000 0.000 0.293 603 I C -1.881 174.253 176.117 0.028 0.000 1.446 603 I CA -0.945 60.297 61.300 -0.097 0.000 1.028 603 I CB 1.928 39.871 38.000 -0.095 0.000 1.349 603 I HN 0.527 nan 8.210 nan 0.000 0.438 604 L N 6.252 127.529 121.223 0.091 0.000 2.505 604 L HA 0.651 4.990 4.340 -0.000 0.000 0.266 604 L C -0.841 176.134 176.870 0.175 0.000 0.954 604 L CA -0.365 54.561 54.840 0.142 0.000 0.852 604 L CB 2.196 44.354 42.059 0.165 0.000 1.282 604 L HN 0.629 nan 8.230 nan 0.000 0.403 605 T N 1.071 115.713 114.554 0.147 0.000 2.885 605 T HA 0.798 5.148 4.350 -0.000 0.000 0.322 605 T C -0.274 174.507 174.700 0.134 0.000 1.387 605 T CA 0.612 62.801 62.100 0.149 0.000 1.041 605 T CB 1.920 70.844 68.868 0.092 0.000 1.287 605 T HN 1.195 nan 8.240 nan 0.000 0.491 606 G N 2.659 111.540 108.800 0.134 0.000 2.451 606 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.208 606 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.208 606 G C -1.027 173.950 174.900 0.129 0.000 1.248 606 G CA -0.203 44.965 45.100 0.114 0.000 0.989 606 G HN 0.871 nan 8.290 nan 0.000 0.559 607 E N -0.905 119.366 120.200 0.119 0.000 2.277 607 E HA 0.610 4.960 4.350 -0.000 0.000 0.274 607 E C 0.485 177.201 176.600 0.194 0.000 1.022 607 E CA -0.416 56.063 56.400 0.132 0.000 0.853 607 E CB 1.485 31.238 29.700 0.088 0.000 1.086 607 E HN 0.511 nan 8.360 nan 0.000 0.397 608 Y N 2.340 122.661 120.300 0.035 0.000 2.301 608 Y HA 0.230 4.780 4.550 -0.000 0.000 0.295 608 Y C 0.002 175.915 175.900 0.022 0.000 1.126 608 Y CA 0.176 58.293 58.100 0.029 0.000 1.154 608 Y CB 0.941 39.412 38.460 0.019 0.000 1.075 608 Y HN 0.247 nan 8.280 nan 0.000 0.534 609 V N 1.479 121.399 119.914 0.010 0.000 2.531 609 V HA 0.444 4.563 4.120 -0.000 0.000 0.301 609 V C -1.123 174.959 176.094 -0.019 0.000 1.034 609 V CA -0.866 61.388 62.300 -0.076 0.000 0.865 609 V CB 1.605 33.391 31.823 -0.062 0.000 0.995 609 V HN -0.115 nan 8.190 nan 0.000 0.424 610 V N 4.322 124.217 119.914 -0.032 0.000 2.876 610 V HA 0.750 4.870 4.120 -0.000 0.000 0.312 610 V C -1.210 174.869 176.094 -0.026 0.000 1.085 610 V CA -0.383 61.907 62.300 -0.016 0.000 0.945 610 V CB 2.507 34.334 31.823 0.007 0.000 1.017 610 V HN 0.954 nan 8.190 nan 0.000 0.428 611 N N 3.347 122.019 118.700 -0.047 0.000 2.747 611 N HA 0.533 5.272 4.740 -0.000 0.000 0.262 611 N C 0.233 175.677 175.510 -0.110 0.000 1.261 611 N CA 0.266 53.284 53.050 -0.052 0.000 0.809 611 N CB 1.869 40.290 38.487 -0.111 0.000 1.450 611 N HN 0.727 nan 8.380 nan 0.000 0.560 612 A N 2.741 125.570 122.820 0.015 0.000 1.930 612 A HA -0.032 4.288 4.320 -0.000 0.000 0.215 612 A C 1.825 179.422 177.584 0.021 0.000 1.176 612 A CA 0.950 52.998 52.037 0.018 0.000 0.632 612 A CB -0.647 18.394 19.000 0.068 0.000 0.819 612 A HN 0.837 nan 8.150 nan 0.000 0.445 613 W N 0.295 121.598 121.300 0.005 0.000 2.364 613 W HA -0.164 4.495 4.660 -0.001 0.000 0.281 613 W C 0.925 177.447 176.519 0.005 0.000 1.219 613 W CA 1.307 58.655 57.345 0.005 0.000 1.220 613 W CB -0.688 28.774 29.460 0.003 0.000 1.127 613 W HN 0.452 nan 8.180 nan 0.000 0.556 614 Q N 0.177 119.480 119.800 -0.828 0.000 2.319 614 Q HA 0.204 4.544 4.340 -0.000 0.000 0.202 614 Q C 1.601 177.384 176.000 -0.361 0.000 0.896 614 Q CA 0.592 55.902 55.803 -0.822 0.000 0.942 614 Q CB 0.171 28.301 28.738 -1.013 0.000 1.083 614 Q HN 0.433 nan 8.270 nan 0.000 0.510 615 G N 2.175 110.842 108.800 -0.220 0.000 2.160 615 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.251 615 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.251 615 G C -0.260 174.577 174.900 -0.105 0.000 1.008 615 G CA 0.149 45.180 45.100 -0.116 0.000 0.724 615 G HN 0.177 nan 8.290 nan 0.000 0.514 616 K N 0.165 120.485 120.400 -0.133 0.000 2.211 616 K HA 0.574 4.894 4.320 -0.000 0.000 0.275 616 K C 0.098 176.670 176.600 -0.047 0.000 1.024 616 K CA -0.424 55.809 56.287 -0.091 0.000 0.887 616 K CB 1.379 33.810 32.500 -0.115 0.000 1.084 616 K HN 0.158 nan 8.250 nan 0.000 0.463 617 K N 3.067 123.456 120.400 -0.018 0.000 2.762 617 K HA 0.041 4.361 4.320 -0.000 0.000 0.272 617 K C -1.711 174.907 176.600 0.029 0.000 1.093 617 K CA -0.216 56.076 56.287 0.009 0.000 1.048 617 K CB 1.110 33.618 32.500 0.013 0.000 1.304 617 K HN 0.658 nan 8.250 nan 0.000 0.511 618 E N 4.375 124.605 120.200 0.049 0.000 2.141 618 E HA 0.121 4.471 4.350 -0.000 0.000 0.259 618 E C -1.056 175.611 176.600 0.112 0.000 0.883 618 E CA -0.444 56.002 56.400 0.076 0.000 0.744 618 E CB 1.184 30.936 29.700 0.086 0.000 1.150 618 E HN 0.526 nan 8.360 nan 0.000 0.420 619 E N 4.521 124.776 120.200 0.093 0.000 2.392 619 E HA 0.078 4.428 4.350 -0.000 0.000 0.264 619 E C 0.024 176.680 176.600 0.093 0.000 1.024 619 E CA -0.337 56.124 56.400 0.102 0.000 0.903 619 E CB 0.747 30.503 29.700 0.093 0.000 0.963 619 E HN 0.578 nan 8.360 nan 0.000 0.432 620 I N 4.858 125.489 120.570 0.103 0.000 2.533 620 I HA -0.030 4.140 4.170 -0.000 0.000 0.284 620 I C 0.450 176.557 176.117 -0.016 0.000 1.109 620 I CA 0.156 61.467 61.300 0.018 0.000 1.412 620 I CB 0.082 38.122 38.000 0.065 0.000 1.396 620 I HN 0.576 nan 8.210 nan 0.000 0.543 621 D N 5.671 125.929 120.400 -0.236 0.000 2.689 621 D HA 0.091 4.731 4.640 -0.000 0.000 0.255 621 D C 0.580 176.247 176.300 -1.054 0.000 1.113 621 D CA -0.644 53.082 54.000 -0.456 0.000 1.115 621 D CB 0.536 41.300 40.800 -0.059 0.000 1.334 621 D HN 0.343 nan 8.370 nan 0.000 0.621 622 F N -0.121 119.218 119.950 -1.018 0.000 2.186 622 F HA 0.021 4.548 4.527 -0.001 0.000 0.299 622 F C 1.611 176.956 175.800 -0.758 0.000 1.090 622 F CA 1.109 58.546 58.000 -0.939 0.000 1.307 622 F CB -0.250 38.379 39.000 -0.618 0.000 1.019 622 F HN 0.184 nan 8.300 nan 0.000 0.489 623 F N 0.006 119.894 119.950 -0.104 0.000 2.502 623 F HA -0.007 4.519 4.527 -0.000 0.000 0.298 623 F C 2.078 177.718 175.800 -0.266 0.000 1.111 623 F CA 0.661 58.574 58.000 -0.145 0.000 1.445 623 F CB -0.741 38.253 39.000 -0.011 0.000 1.081 623 F HN -0.041 nan 8.300 nan 0.000 0.558 624 I N -0.024 120.425 120.570 -0.201 0.000 2.286 624 I HA -0.240 3.929 4.170 -0.000 0.000 0.245 624 I C 2.638 178.516 176.117 -0.398 0.000 1.104 624 I CA 1.091 62.201 61.300 -0.316 0.000 1.397 624 I CB -0.623 37.147 38.000 -0.382 0.000 1.072 624 I HN 0.105 nan 8.210 nan 0.000 0.417 625 A N 0.549 123.078 122.820 -0.484 0.000 1.877 625 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 625 A C 2.364 179.660 177.584 -0.479 0.000 1.186 625 A CA 1.916 53.711 52.037 -0.403 0.000 0.620 625 A CB -0.567 18.221 19.000 -0.354 0.000 0.822 625 A HN 0.315 nan 8.150 nan 0.000 0.443 626 K N -0.788 119.221 120.400 -0.651 0.000 2.074 626 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 626 K C 1.995 178.408 176.600 -0.312 0.000 1.048 626 K CA 1.413 57.383 56.287 -0.530 0.000 0.926 626 K CB -0.550 31.613 32.500 -0.562 0.000 0.713 626 K HN 0.436 nan 8.250 nan 0.000 0.444 627 G N 0.056 108.710 108.800 -0.244 0.000 2.462 627 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.220 627 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.220 627 G C 1.387 176.175 174.900 -0.187 0.000 1.121 627 G CA 0.889 45.888 45.100 -0.168 0.000 0.758 627 G HN 0.210 nan 8.290 nan 0.000 0.559 628 V N 0.201 119.952 119.914 -0.271 0.000 2.346 628 V HA -0.105 4.015 4.120 -0.000 0.000 0.244 628 V C 2.967 178.839 176.094 -0.371 0.000 1.037 628 V CA 1.211 63.327 62.300 -0.307 0.000 1.029 628 V CB -0.090 31.508 31.823 -0.375 0.000 0.663 628 V HN 0.242 nan 8.190 nan 0.000 0.454 629 V N 0.298 119.951 119.914 -0.435 0.000 2.287 629 V HA -0.280 3.839 4.120 -0.000 0.000 0.248 629 V C 2.277 178.379 176.094 0.013 0.000 1.053 629 V CA 2.252 64.415 62.300 -0.227 0.000 1.027 629 V CB -0.761 30.992 31.823 -0.117 0.000 0.646 629 V HN 0.533 nan 8.190 nan 0.000 0.447 630 D N -0.484 119.920 120.400 0.007 0.000 2.221 630 D HA -0.182 4.458 4.640 -0.000 0.000 0.204 630 D C 2.280 178.526 176.300 -0.090 0.000 0.982 630 D CA 1.293 55.288 54.000 -0.007 0.000 0.857 630 D CB -0.216 40.578 40.800 -0.010 0.000 0.934 630 D HN 0.424 nan 8.370 nan 0.000 0.475 631 R N 0.385 120.822 120.500 -0.105 0.000 2.093 631 R HA -0.052 4.287 4.340 -0.000 0.000 0.224 631 R C 2.066 178.299 176.300 -0.111 0.000 1.101 631 R CA 0.620 56.661 56.100 -0.099 0.000 0.979 631 R CB -0.122 30.123 30.300 -0.092 0.000 0.877 631 R HN -0.051 nan 8.270 nan 0.000 0.441 632 V N 1.441 121.283 119.914 -0.121 0.000 2.252 632 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 632 V C 2.514 178.518 176.094 -0.150 0.000 1.056 632 V CA 2.168 64.415 62.300 -0.088 0.000 1.022 632 V CB -0.939 30.871 31.823 -0.021 0.000 0.641 632 V HN 0.582 nan 8.190 nan 0.000 0.445 633 A N -0.479 122.137 122.820 -0.340 0.000 1.855 633 A HA -0.262 4.058 4.320 -0.000 0.000 0.215 633 A C 2.228 179.597 177.584 -0.359 0.000 1.191 633 A CA 1.938 53.561 52.037 -0.690 0.000 0.613 633 A CB -0.636 17.598 19.000 -1.277 0.000 0.829 633 A HN 0.626 nan 8.150 nan 0.000 0.442 634 E N -0.224 119.833 120.200 -0.238 0.000 2.068 634 E HA -0.347 4.003 4.350 -0.000 0.000 0.207 634 E C 2.012 178.549 176.600 -0.105 0.000 1.032 634 E CA 2.223 58.539 56.400 -0.139 0.000 0.839 634 E CB -0.154 29.491 29.700 -0.092 0.000 0.758 634 E HN 0.422 nan 8.360 nan 0.000 0.457 635 K N 0.035 120.381 120.400 -0.089 0.000 2.152 635 K HA -0.077 4.242 4.320 -0.000 0.000 0.206 635 K C 1.752 178.329 176.600 -0.038 0.000 1.048 635 K CA 1.322 57.578 56.287 -0.050 0.000 0.933 635 K CB -0.066 32.410 32.500 -0.040 0.000 0.721 635 K HN 0.257 nan 8.250 nan 0.000 0.447 636 L N -0.376 120.809 121.223 -0.063 0.000 2.607 636 L HA 0.146 4.486 4.340 -0.000 0.000 0.228 636 L C 0.105 176.940 176.870 -0.059 0.000 1.123 636 L CA -0.158 54.661 54.840 -0.036 0.000 0.890 636 L CB -0.137 41.914 42.059 -0.013 0.000 1.103 636 L HN 0.277 nan 8.230 nan 0.000 0.468 637 N N 0.927 119.574 118.700 -0.089 0.000 2.783 637 N HA -0.162 4.577 4.740 -0.000 0.000 0.247 637 N C -0.787 174.655 175.510 -0.112 0.000 1.089 637 N CA 0.608 53.608 53.050 -0.083 0.000 0.690 637 N CB -1.236 37.228 38.487 -0.038 0.000 0.991 637 N HN 0.221 nan 8.380 nan 0.000 0.552 638 L N -0.222 120.877 121.223 -0.207 0.000 2.322 638 L HA 0.527 4.867 4.340 -0.000 0.000 0.269 638 L C 0.429 177.108 176.870 -0.318 0.000 1.012 638 L CA -0.844 53.851 54.840 -0.242 0.000 0.815 638 L CB 1.488 43.355 42.059 -0.319 0.000 1.295 638 L HN -0.016 nan 8.230 nan 0.000 0.438 639 E N 2.291 122.389 120.200 -0.170 0.000 2.141 639 E HA 0.404 4.753 4.350 -0.000 0.000 0.259 639 E C -1.265 175.366 176.600 0.052 0.000 0.883 639 E CA -0.113 56.229 56.400 -0.097 0.000 0.744 639 E CB 1.650 31.329 29.700 -0.034 0.000 1.150 639 E HN 0.325 nan 8.360 nan 0.000 0.420 640 F N 1.027 120.914 119.950 -0.105 0.000 2.425 640 F HA 0.319 4.846 4.527 -0.000 0.000 0.331 640 F C 1.042 176.658 175.800 -0.307 0.000 1.085 640 F CA -0.890 56.962 58.000 -0.245 0.000 1.028 640 F CB 1.667 40.453 39.000 -0.357 0.000 1.177 640 F HN 0.251 nan 8.300 nan 0.000 0.487 641 S N 1.079 116.667 115.700 -0.188 0.000 2.648 641 S HA 0.689 5.159 4.470 -0.000 0.000 0.305 641 S C -1.595 172.730 174.600 -0.459 0.000 1.094 641 S CA -0.831 57.244 58.200 -0.209 0.000 0.983 641 S CB 1.838 65.013 63.200 -0.043 0.000 1.101 641 S HN 0.474 nan 8.310 nan 0.000 0.514 642 Y N 0.394 120.752 120.300 0.096 0.000 2.386 642 Y HA 0.576 5.125 4.550 -0.001 0.000 0.334 642 Y C -0.223 175.732 175.900 0.092 0.000 1.002 642 Y CA -0.879 57.285 58.100 0.105 0.000 1.068 642 Y CB 2.033 40.582 38.460 0.147 0.000 1.203 642 Y HN 0.817 nan 8.280 nan 0.000 0.443 643 K N 0.842 121.369 120.400 0.211 0.000 2.477 643 K HA 0.946 5.266 4.320 -0.000 0.000 0.255 643 K C -1.033 175.645 176.600 0.130 0.000 0.952 643 K CA -1.302 55.072 56.287 0.144 0.000 0.826 643 K CB 2.143 34.696 32.500 0.088 0.000 1.331 643 K HN 0.590 nan 8.250 nan 0.000 0.437 644 A N 1.234 124.106 122.820 0.087 0.000 2.531 644 A HA 0.515 4.835 4.320 -0.000 0.000 0.236 644 A C 0.365 177.988 177.584 0.064 0.000 1.062 644 A CA 0.916 52.988 52.037 0.058 0.000 0.760 644 A CB -0.280 18.733 19.000 0.021 0.000 0.995 644 A HN 0.912 nan 8.150 nan 0.000 0.501 645 G N 0.482 109.324 108.800 0.069 0.000 2.706 645 G HA2 0.600 4.560 3.960 -0.000 0.000 0.307 645 G HA3 0.600 4.560 3.960 -0.000 0.000 0.307 645 G C -1.483 173.448 174.900 0.053 0.000 1.307 645 G CA -0.715 44.421 45.100 0.061 0.000 0.790 645 G HN 0.654 nan 8.290 nan 0.000 0.503 646 K N 0.046 120.468 120.400 0.036 0.000 2.581 646 K HA 0.556 4.875 4.320 -0.000 0.000 0.249 646 K C -1.148 175.444 176.600 -0.013 0.000 0.966 646 K CA -0.373 55.929 56.287 0.025 0.000 0.811 646 K CB 1.866 34.382 32.500 0.026 0.000 1.223 646 K HN 0.306 nan 8.250 nan 0.000 0.438 647 I N 2.345 122.887 120.570 -0.047 0.000 2.418 647 I HA 0.227 4.397 4.170 -0.000 0.000 0.287 647 I C 0.203 176.283 176.117 -0.062 0.000 1.008 647 I CA -0.698 60.531 61.300 -0.119 0.000 1.104 647 I CB 1.726 39.501 38.000 -0.376 0.000 1.264 647 I HN 0.730 nan 8.210 nan 0.000 0.438 648 E N 4.478 124.628 120.200 -0.084 0.000 3.250 648 E HA -0.017 4.333 4.350 -0.000 0.000 0.244 648 E C 1.136 177.631 176.600 -0.175 0.000 0.931 648 E CA 1.309 57.635 56.400 -0.123 0.000 0.954 648 E CB 0.177 29.780 29.700 -0.162 0.000 0.894 648 E HN 0.987 nan 8.360 nan 0.000 0.560 649 G N 3.352 112.112 108.800 -0.066 0.000 2.195 649 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.224 649 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.224 649 G C 0.099 175.154 174.900 0.260 0.000 0.990 649 G CA 0.007 45.118 45.100 0.019 0.000 0.639 649 G HN 0.454 nan 8.290 nan 0.000 0.514 650 L N 0.685 122.045 121.223 0.228 0.000 2.334 650 L HA 0.515 4.855 4.340 -0.000 0.000 0.270 650 L C 0.664 177.664 176.870 0.216 0.000 1.018 650 L CA -1.304 53.671 54.840 0.224 0.000 0.811 650 L CB 1.251 43.396 42.059 0.144 0.000 1.271 650 L HN 0.168 nan 8.230 nan 0.000 0.443 651 H N 3.412 122.516 119.070 0.056 0.000 3.082 651 H HA 0.078 4.634 4.556 -0.000 0.000 0.275 651 H C -1.979 173.338 175.328 -0.019 0.000 1.032 651 H CA -1.815 54.199 56.048 -0.056 0.000 1.477 651 H CB 1.256 30.979 29.762 -0.065 0.000 1.520 651 H HN 0.232 nan 8.280 nan 0.000 0.521 652 P HA -0.015 nan 4.420 nan 0.000 0.226 652 P C 1.102 178.486 177.300 0.140 0.000 1.153 652 P CA 1.186 64.375 63.100 0.147 0.000 0.777 652 P CB 0.305 32.058 31.700 0.089 0.000 0.794 653 G N -0.911 108.029 108.800 0.232 0.000 3.337 653 G HA2 0.031 3.990 3.960 -0.000 0.000 0.246 653 G HA3 0.031 3.990 3.960 -0.000 0.000 0.246 653 G C 0.863 175.647 174.900 -0.192 0.000 1.131 653 G CA -0.152 44.960 45.100 0.021 0.000 0.773 653 G HN 0.188 nan 8.290 nan 0.000 0.544 654 R N 0.286 120.673 120.500 -0.188 0.000 2.635 654 R HA 0.195 4.534 4.340 -0.000 0.000 0.393 654 R C -0.917 175.356 176.300 -0.046 0.000 1.070 654 R CA -0.121 55.781 56.100 -0.330 0.000 1.118 654 R CB 0.915 30.958 30.300 -0.428 0.000 1.341 654 R HN 0.082 nan 8.270 nan 0.000 0.628 655 T N 0.699 115.264 114.554 0.019 0.000 2.848 655 T HA 0.630 4.980 4.350 -0.000 0.000 0.285 655 T C -0.825 173.987 174.700 0.187 0.000 0.995 655 T CA -0.547 61.668 62.100 0.191 0.000 0.970 655 T CB 1.997 70.947 68.868 0.136 0.000 0.976 655 T HN 0.236 nan 8.240 nan 0.000 0.441 656 A N 3.884 126.912 122.820 0.346 0.000 2.343 656 A HA 0.742 5.061 4.320 -0.000 0.000 0.316 656 A C -0.188 177.590 177.584 0.323 0.000 1.104 656 A CA -0.803 51.431 52.037 0.328 0.000 0.768 656 A CB 0.545 19.830 19.000 0.475 0.000 1.213 656 A HN 0.733 nan 8.150 nan 0.000 0.456 657 I N 2.622 123.330 120.570 0.230 0.000 2.556 657 I HA 0.159 4.329 4.170 -0.000 0.000 0.284 657 I C 0.073 176.244 176.117 0.090 0.000 1.114 657 I CA 0.072 61.478 61.300 0.177 0.000 1.418 657 I CB 0.658 38.726 38.000 0.114 0.000 1.394 657 I HN 0.263 nan 8.210 nan 0.000 0.552 658 V N 6.144 126.049 119.914 -0.016 0.000 2.398 658 V HA 0.396 4.516 4.120 -0.000 0.000 0.286 658 V C 0.327 176.248 176.094 -0.288 0.000 1.026 658 V CA -0.352 61.795 62.300 -0.254 0.000 0.868 658 V CB 1.624 33.227 31.823 -0.367 0.000 0.982 658 V HN 0.844 nan 8.190 nan 0.000 0.443 659 S N 4.567 120.082 115.700 -0.308 0.000 2.532 659 S HA 0.821 5.291 4.470 -0.000 0.000 0.301 659 S C -0.963 173.528 174.600 -0.182 0.000 1.083 659 S CA -0.513 57.566 58.200 -0.202 0.000 1.025 659 S CB 1.837 64.974 63.200 -0.105 0.000 1.056 659 S HN 0.597 nan 8.310 nan 0.000 0.494 660 L N 1.817 122.974 121.223 -0.110 0.000 2.441 660 L HA 0.700 5.040 4.340 -0.000 0.000 0.270 660 L C 0.487 177.357 176.870 0.000 0.000 0.973 660 L CA 0.554 55.397 54.840 0.005 0.000 0.842 660 L CB 0.757 42.837 42.059 0.035 0.000 1.239 660 L HN 0.886 nan 8.230 nan 0.000 0.406 661 G N 3.281 112.089 108.800 0.014 0.000 2.273 661 G HA2 0.061 4.021 3.960 -0.000 0.000 0.280 661 G HA3 0.061 4.021 3.960 -0.000 0.000 0.280 661 G C 1.041 175.934 174.900 -0.011 0.000 1.047 661 G CA 0.771 45.871 45.100 0.001 0.000 0.869 661 G HN 2.206 nan 8.290 nan 0.000 0.502 662 G N -2.483 106.308 108.800 -0.016 0.000 2.176 662 G HA2 0.253 4.213 3.960 -0.000 0.000 0.253 662 G HA3 0.253 4.213 3.960 -0.000 0.000 0.253 662 G C 0.529 175.415 174.900 -0.022 0.000 0.979 662 G CA 1.166 46.256 45.100 -0.017 0.000 0.641 662 G HN 2.411 nan 8.290 nan 0.000 0.530 663 A N -0.010 122.791 122.820 -0.032 0.000 2.356 663 A HA 0.852 5.171 4.320 -0.000 0.000 0.310 663 A C 0.564 178.112 177.584 -0.060 0.000 1.075 663 A CA 0.515 52.531 52.037 -0.036 0.000 0.746 663 A CB 1.321 20.302 19.000 -0.031 0.000 1.221 663 A HN 1.789 nan 8.150 nan 0.000 0.443 664 G N 0.920 109.688 108.800 -0.052 0.000 2.340 664 G HA2 0.433 4.393 3.960 -0.000 0.000 0.245 664 G HA3 0.433 4.393 3.960 -0.000 0.000 0.245 664 G C 0.505 175.349 174.900 -0.092 0.000 1.294 664 G CA 0.307 45.366 45.100 -0.068 0.000 0.896 664 G HN 1.262 nan 8.290 nan 0.000 0.522 665 I N 0.375 120.844 120.570 -0.168 0.000 4.154 665 I HA 0.592 4.762 4.170 -0.000 0.000 0.334 665 I C 0.837 176.803 176.117 -0.252 0.000 1.371 665 I CA -0.023 61.160 61.300 -0.195 0.000 1.110 665 I CB 0.338 38.185 38.000 -0.254 0.000 1.085 665 I HN 0.725 nan 8.210 nan 0.000 0.398 666 G N 1.868 110.547 108.800 -0.202 0.000 2.455 666 G HA2 0.376 4.336 3.960 -0.000 0.000 0.223 666 G HA3 0.376 4.336 3.960 -0.000 0.000 0.223 666 G C -1.644 173.235 174.900 -0.036 0.000 1.226 666 G CA -0.148 44.805 45.100 -0.245 0.000 0.948 666 G HN 0.371 nan 8.290 nan 0.000 0.478 667 F N -1.330 118.607 119.950 -0.023 0.000 2.741 667 F HA 0.840 5.367 4.527 -0.001 0.000 0.311 667 F C -1.369 174.496 175.800 0.109 0.000 1.149 667 F CA -1.692 56.344 58.000 0.060 0.000 0.930 667 F CB 1.009 40.061 39.000 0.086 0.000 1.312 667 F HN 0.565 nan 8.300 nan 0.000 0.450 668 I N 1.186 122.019 120.570 0.439 0.000 2.533 668 I HA 0.833 5.003 4.170 -0.000 0.000 0.290 668 I C -0.285 176.093 176.117 0.435 0.000 1.056 668 I CA -0.991 60.508 61.300 0.331 0.000 1.057 668 I CB 1.988 40.027 38.000 0.065 0.000 1.240 668 I HN 1.078 nan 8.210 nan 0.000 0.423 669 G N 3.405 112.449 108.800 0.406 0.000 2.703 669 G HA2 0.338 4.298 3.960 -0.000 0.000 0.294 669 G HA3 0.338 4.298 3.960 -0.000 0.000 0.294 669 G C -1.687 173.424 174.900 0.351 0.000 1.451 669 G CA -0.578 44.778 45.100 0.427 0.000 0.869 669 G HN 0.640 nan 8.290 nan 0.000 0.516 670 E N 0.809 121.216 120.200 0.346 0.000 2.414 670 E HA 0.151 4.501 4.350 -0.000 0.000 0.263 670 E C 0.493 177.117 176.600 0.041 0.000 1.000 670 E CA -0.335 56.052 56.400 -0.021 0.000 0.914 670 E CB 0.437 30.111 29.700 -0.043 0.000 0.948 670 E HN 0.349 nan 8.360 nan 0.000 0.444 671 L N 4.347 125.538 121.223 -0.054 0.000 2.543 671 L HA -0.065 4.275 4.340 -0.000 0.000 0.285 671 L C 1.216 178.151 176.870 0.109 0.000 1.236 671 L CA 0.166 55.045 54.840 0.066 0.000 0.871 671 L CB 0.014 42.090 42.059 0.028 0.000 1.121 671 L HN 0.629 nan 8.230 nan 0.000 0.501 672 H N 5.219 124.326 119.070 0.061 0.000 3.115 672 H HA -0.045 4.511 4.556 -0.000 0.000 0.324 672 H C -1.704 173.598 175.328 -0.043 0.000 1.007 672 H CA -0.898 55.139 56.048 -0.018 0.000 1.385 672 H CB 1.240 30.988 29.762 -0.022 0.000 1.351 672 H HN 0.360 nan 8.280 nan 0.000 0.592 673 P HA -0.204 nan 4.420 nan 0.000 0.216 673 P C 1.535 178.912 177.300 0.128 0.000 1.153 673 P CA 1.597 64.662 63.100 -0.058 0.000 0.858 673 P CB 0.254 31.821 31.700 -0.221 0.000 0.789 674 Q N -0.114 119.918 119.800 0.386 0.000 2.077 674 Q HA -0.159 4.181 4.340 -0.000 0.000 0.206 674 Q C 1.954 178.018 176.000 0.107 0.000 0.989 674 Q CA 1.914 57.831 55.803 0.191 0.000 0.853 674 Q CB -1.340 27.420 28.738 0.037 0.000 0.907 674 Q HN 0.028 nan 8.270 nan 0.000 0.418 675 V N 0.424 120.418 119.914 0.134 0.000 2.307 675 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 675 V C 2.265 178.408 176.094 0.081 0.000 1.045 675 V CA 1.656 64.013 62.300 0.094 0.000 1.024 675 V CB -1.315 30.586 31.823 0.130 0.000 0.651 675 V HN 0.523 nan 8.190 nan 0.000 0.449 676 A N 0.243 123.109 122.820 0.076 0.000 1.873 676 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 676 A C 2.468 180.078 177.584 0.042 0.000 1.193 676 A CA 2.553 54.618 52.037 0.046 0.000 0.629 676 A CB -1.053 17.962 19.000 0.026 0.000 0.826 676 A HN 0.595 nan 8.150 nan 0.000 0.447 677 A N 0.166 123.013 122.820 0.045 0.000 1.869 677 A HA -0.290 4.029 4.320 -0.000 0.000 0.218 677 A C 1.725 179.330 177.584 0.035 0.000 1.203 677 A CA 2.183 54.242 52.037 0.037 0.000 0.638 677 A CB -1.002 18.021 19.000 0.037 0.000 0.831 677 A HN 0.482 nan 8.150 nan 0.000 0.450 678 D N -0.126 120.297 120.400 0.038 0.000 2.271 678 D HA -0.110 4.530 4.640 -0.000 0.000 0.207 678 D C 1.073 177.397 176.300 0.039 0.000 0.983 678 D CA 1.070 55.091 54.000 0.036 0.000 0.878 678 D CB -0.261 40.562 40.800 0.039 0.000 0.920 678 D HN 0.514 nan 8.370 nan 0.000 0.479 679 N N 0.276 119.001 118.700 0.041 0.000 2.184 679 N HA -0.062 4.678 4.740 -0.000 0.000 0.206 679 N C -0.397 175.133 175.510 0.034 0.000 1.151 679 N CA -0.004 53.071 53.050 0.042 0.000 0.878 679 N CB 0.940 39.455 38.487 0.048 0.000 1.014 679 N HN 0.070 nan 8.380 nan 0.000 0.512 680 D N 1.204 121.621 120.400 0.029 0.000 2.699 680 D HA -0.174 4.466 4.640 -0.000 0.000 0.239 680 D C -0.726 175.589 176.300 0.024 0.000 1.136 680 D CA 0.606 54.620 54.000 0.024 0.000 0.668 680 D CB -0.918 39.892 40.800 0.018 0.000 1.060 680 D HN 0.306 nan 8.370 nan 0.000 0.429 681 L N 0.308 121.547 121.223 0.027 0.000 2.322 681 L HA 0.476 4.816 4.340 -0.000 0.000 0.269 681 L C 1.079 177.963 176.870 0.023 0.000 1.012 681 L CA -0.869 53.986 54.840 0.025 0.000 0.815 681 L CB 1.665 43.738 42.059 0.023 0.000 1.295 681 L HN -0.161 nan 8.230 nan 0.000 0.438 682 K N 0.352 120.768 120.400 0.027 0.000 2.720 682 K HA 0.423 4.743 4.320 -0.000 0.000 0.281 682 K C -0.364 176.246 176.600 0.017 0.000 1.019 682 K CA -0.821 55.486 56.287 0.032 0.000 1.088 682 K CB 0.437 32.966 32.500 0.047 0.000 1.449 682 K HN 0.298 nan 8.250 nan 0.000 0.542 683 R N 1.197 121.717 120.500 0.033 0.000 2.504 683 R HA 0.053 4.393 4.340 -0.000 0.000 0.291 683 R C -0.587 175.656 176.300 -0.095 0.000 0.974 683 R CA 0.618 56.707 56.100 -0.018 0.000 1.077 683 R CB -0.417 29.962 30.300 0.131 0.000 0.926 683 R HN 0.523 nan 8.270 nan 0.000 0.407 684 T N 3.304 117.609 114.554 -0.415 0.000 3.032 684 T HA 0.443 4.793 4.350 -0.000 0.000 0.312 684 T C -1.206 173.129 174.700 -0.608 0.000 1.078 684 T CA -0.585 61.354 62.100 -0.269 0.000 1.028 684 T CB 0.937 69.744 68.868 -0.102 0.000 1.091 684 T HN 0.337 nan 8.240 nan 0.000 0.457 685 Y N 1.382 121.709 120.300 0.044 0.000 2.409 685 Y HA 0.659 5.209 4.550 -0.000 0.000 0.343 685 Y C 0.103 176.017 175.900 0.022 0.000 0.973 685 Y CA -1.098 57.027 58.100 0.040 0.000 1.064 685 Y CB 1.799 40.257 38.460 -0.004 0.000 1.207 685 Y HN 0.535 nan 8.280 nan 0.000 0.452 686 V N 1.078 121.074 119.914 0.136 0.000 2.823 686 V HA 0.850 4.970 4.120 -0.000 0.000 0.312 686 V C -1.109 175.051 176.094 0.111 0.000 1.072 686 V CA -1.283 61.018 62.300 0.003 0.000 0.937 686 V CB 1.772 33.555 31.823 -0.066 0.000 1.013 686 V HN 0.636 nan 8.190 nan 0.000 0.430 687 F N 0.242 120.156 119.950 -0.060 0.000 2.588 687 F HA 0.951 5.478 4.527 -0.000 0.000 0.310 687 F C -0.626 174.964 175.800 -0.351 0.000 1.082 687 F CA -0.889 57.006 58.000 -0.176 0.000 0.929 687 F CB 2.063 40.983 39.000 -0.134 0.000 1.254 687 F HN 0.784 nan 8.300 nan 0.000 0.455 688 E N 3.200 123.074 120.200 -0.544 0.000 2.291 688 E HA 0.714 5.064 4.350 -0.000 0.000 0.276 688 E C -2.244 173.950 176.600 -0.677 0.000 0.896 688 E CA -0.569 55.420 56.400 -0.685 0.000 0.774 688 E CB 1.989 31.079 29.700 -1.017 0.000 1.227 688 E HN 0.861 nan 8.360 nan 0.000 0.413 689 L N 3.356 124.279 121.223 -0.500 0.000 2.493 689 L HA 0.437 4.776 4.340 -0.000 0.000 0.265 689 L C -0.541 176.047 176.870 -0.471 0.000 0.954 689 L CA -1.187 53.399 54.840 -0.423 0.000 0.844 689 L CB 1.994 43.935 42.059 -0.196 0.000 1.302 689 L HN 0.503 nan 8.230 nan 0.000 0.405 690 N N 1.627 120.060 118.700 -0.445 0.000 2.416 690 N HA -0.043 4.697 4.740 -0.000 0.000 0.271 690 N C 0.423 175.967 175.510 0.057 0.000 1.245 690 N CA 0.505 53.450 53.050 -0.176 0.000 0.940 690 N CB 0.363 38.807 38.487 -0.072 0.000 1.175 690 N HN 0.623 nan 8.380 nan 0.000 0.483 691 Y N 3.548 123.871 120.300 0.039 0.000 2.263 691 Y HA -0.172 4.378 4.550 -0.001 0.000 0.292 691 Y C 1.315 177.255 175.900 0.067 0.000 1.130 691 Y CA 0.888 59.026 58.100 0.063 0.000 1.179 691 Y CB 0.388 38.905 38.460 0.095 0.000 0.998 691 Y HN 0.483 nan 8.280 nan 0.000 0.532 692 D N 0.509 120.963 120.400 0.090 0.000 2.137 692 D HA -0.308 4.332 4.640 -0.000 0.000 0.189 692 D C 2.264 178.544 176.300 -0.035 0.000 0.998 692 D CA 1.856 55.859 54.000 0.006 0.000 0.839 692 D CB -0.766 40.079 40.800 0.075 0.000 0.962 692 D HN 0.471 nan 8.370 nan 0.000 0.446 693 A N 0.333 123.153 122.820 -0.001 0.000 1.948 693 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 693 A C 2.319 179.881 177.584 -0.037 0.000 1.177 693 A CA 1.889 53.914 52.037 -0.021 0.000 0.636 693 A CB -0.642 18.344 19.000 -0.022 0.000 0.815 693 A HN 0.217 nan 8.150 nan 0.000 0.449 694 M N -1.643 117.930 119.600 -0.044 0.000 2.175 694 M HA -0.070 4.409 4.480 -0.000 0.000 0.264 694 M C 1.871 178.110 176.300 -0.102 0.000 1.063 694 M CA 1.171 56.461 55.300 -0.016 0.000 1.119 694 M CB -0.160 32.474 32.600 0.057 0.000 1.377 694 M HN 0.281 nan 8.290 nan 0.000 0.415 695 M N -0.684 118.783 119.600 -0.221 0.000 2.541 695 M HA -0.022 4.457 4.480 -0.000 0.000 0.252 695 M C 1.729 177.954 176.300 -0.125 0.000 1.125 695 M CA 1.065 56.221 55.300 -0.241 0.000 1.091 695 M CB -0.632 31.744 32.600 -0.373 0.000 1.420 695 M HN 0.333 nan 8.290 nan 0.000 0.486 696 Q N 0.020 119.768 119.800 -0.088 0.000 2.170 696 Q HA -0.047 4.293 4.340 -0.000 0.000 0.203 696 Q C 0.242 176.216 176.000 -0.044 0.000 0.976 696 Q CA 0.742 56.514 55.803 -0.053 0.000 0.858 696 Q CB 0.154 28.871 28.738 -0.036 0.000 0.907 696 Q HN 0.235 nan 8.270 nan 0.000 0.433 697 V N 1.743 121.634 119.914 -0.040 0.000 2.439 697 V HA 0.160 4.280 4.120 -0.000 0.000 0.271 697 V C 0.039 176.110 176.094 -0.039 0.000 1.040 697 V CA -0.378 61.904 62.300 -0.029 0.000 1.002 697 V CB 0.671 32.487 31.823 -0.012 0.000 1.000 697 V HN 0.140 nan 8.190 nan 0.000 0.477 698 A N 4.900 127.695 122.820 -0.042 0.000 2.302 698 A HA 0.524 4.844 4.320 -0.000 0.000 0.295 698 A C 0.828 178.380 177.584 -0.054 0.000 1.235 698 A CA -0.099 51.907 52.037 -0.052 0.000 0.876 698 A CB 0.837 19.801 19.000 -0.059 0.000 1.133 698 A HN 1.261 nan 8.150 nan 0.000 0.533 699 V N 1.299 121.182 119.914 -0.052 0.000 3.590 699 V HA 0.542 4.662 4.120 -0.000 0.000 0.265 699 V C 1.098 177.159 176.094 -0.055 0.000 1.239 699 V CA 0.649 62.923 62.300 -0.044 0.000 1.117 699 V CB -1.553 30.253 31.823 -0.028 0.000 0.818 699 V HN 2.271 nan 8.190 nan 0.000 0.451 700 G N 0.085 108.825 108.800 -0.100 0.000 2.632 700 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.224 700 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.224 700 G C -0.512 174.315 174.900 -0.122 0.000 1.341 700 G CA -0.090 44.896 45.100 -0.189 0.000 0.880 700 G HN 0.560 nan 8.290 nan 0.000 0.566 701 Y N -0.499 119.796 120.300 -0.009 0.000 2.301 701 Y HA 0.509 5.059 4.550 -0.000 0.000 0.328 701 Y C 1.669 177.570 175.900 0.002 0.000 1.242 701 Y CA -0.816 57.280 58.100 -0.006 0.000 1.323 701 Y CB 0.659 39.116 38.460 -0.004 0.000 1.266 701 Y HN 0.524 nan 8.280 nan 0.000 0.527 702 I N 2.371 123.053 120.570 0.187 0.000 2.775 702 I HA -0.189 3.981 4.170 -0.000 0.000 0.290 702 I C 0.140 176.330 176.117 0.121 0.000 1.203 702 I CA 0.681 62.047 61.300 0.109 0.000 1.433 702 I CB 0.160 38.209 38.000 0.082 0.000 1.354 702 I HN 0.579 nan 8.210 nan 0.000 0.579 703 N N 5.962 124.718 118.700 0.092 0.000 2.414 703 N HA 0.121 4.861 4.740 -0.000 0.000 0.256 703 N C -1.036 174.543 175.510 0.115 0.000 1.029 703 N CA -0.350 52.757 53.050 0.096 0.000 0.948 703 N CB 0.451 38.968 38.487 0.049 0.000 1.102 703 N HN 0.366 nan 8.380 nan 0.000 0.496 704 Y N 2.505 122.812 120.300 0.012 0.000 2.310 704 Y HA 0.398 4.948 4.550 -0.001 0.000 0.326 704 Y C -0.621 175.280 175.900 0.001 0.000 1.151 704 Y CA -0.404 57.697 58.100 0.002 0.000 1.195 704 Y CB 0.865 39.322 38.460 -0.004 0.000 1.210 704 Y HN 0.507 nan 8.280 nan 0.000 0.483 705 E N 4.872 124.634 120.200 -0.729 0.000 2.234 705 E HA 0.157 4.507 4.350 -0.000 0.000 0.266 705 E C -1.410 174.614 176.600 -0.960 0.000 0.877 705 E CA -1.106 54.901 56.400 -0.654 0.000 0.758 705 E CB 2.017 31.543 29.700 -0.289 0.000 1.170 705 E HN 0.670 nan 8.360 nan 0.000 0.415 706 Q N 2.944 122.316 119.800 -0.713 0.000 2.395 706 Q HA 0.082 4.422 4.340 -0.000 0.000 0.271 706 Q C -0.309 175.552 176.000 -0.231 0.000 1.026 706 Q CA -0.127 55.438 55.803 -0.398 0.000 0.900 706 Q CB 0.594 29.264 28.738 -0.114 0.000 1.266 706 Q HN 0.544 nan 8.270 nan 0.000 0.430 707 I N 6.466 126.963 120.570 -0.122 0.000 2.742 707 I HA -0.008 4.162 4.170 -0.000 0.000 0.287 707 I C -1.636 174.418 176.117 -0.105 0.000 1.186 707 I CA -1.343 59.903 61.300 -0.090 0.000 1.417 707 I CB 0.097 38.071 38.000 -0.043 0.000 1.377 707 I HN 0.595 nan 8.210 nan 0.000 0.556 708 P HA -0.071 nan 4.420 nan 0.000 0.261 708 P C 0.031 177.216 177.300 -0.191 0.000 1.165 708 P CA 0.127 63.162 63.100 -0.109 0.000 0.759 708 P CB 0.578 32.250 31.700 -0.046 0.000 0.772 709 K N 2.330 122.512 120.400 -0.364 0.000 2.063 709 K HA -0.045 4.275 4.320 -0.000 0.000 0.208 709 K C 0.655 176.772 176.600 -0.806 0.000 1.048 709 K CA 1.508 57.357 56.287 -0.729 0.000 0.928 709 K CB -0.321 31.456 32.500 -1.206 0.000 0.713 709 K HN 0.510 nan 8.250 nan 0.000 0.442 710 F N -0.755 119.196 119.950 0.002 0.000 2.611 710 F HA 0.472 4.999 4.527 -0.000 0.000 0.324 710 F C -2.358 173.445 175.800 0.005 0.000 1.061 710 F CA -3.308 54.693 58.000 0.002 0.000 0.954 710 F CB 0.265 39.266 39.000 0.001 0.000 1.301 710 F HN -0.310 nan 8.300 nan 0.000 0.482 711 P HA 0.346 nan 4.420 nan 0.000 0.276 711 P C -0.036 177.331 177.300 0.112 0.000 1.244 711 P CA -0.321 62.848 63.100 0.114 0.000 0.801 711 P CB 0.795 32.544 31.700 0.081 0.000 1.006 712 G N -0.116 108.737 108.800 0.088 0.000 2.509 712 G HA2 0.499 4.458 3.960 -0.000 0.000 0.269 712 G HA3 0.499 4.458 3.960 -0.000 0.000 0.269 712 G C -1.069 173.884 174.900 0.088 0.000 1.416 712 G CA -0.475 44.684 45.100 0.100 0.000 1.052 712 G HN 0.421 nan 8.290 nan 0.000 0.542 713 V N -0.867 119.123 119.914 0.126 0.000 2.709 713 V HA 0.573 4.692 4.120 -0.000 0.000 0.308 713 V C -0.191 176.015 176.094 0.187 0.000 1.062 713 V CA -0.548 61.816 62.300 0.108 0.000 0.901 713 V CB 2.155 34.006 31.823 0.047 0.000 1.003 713 V HN 0.771 nan 8.190 nan 0.000 0.425 714 T N 4.982 119.604 114.554 0.113 0.000 2.888 714 T HA 0.698 5.048 4.350 -0.000 0.000 0.284 714 T C -0.523 174.237 174.700 0.100 0.000 1.017 714 T CA -0.619 61.543 62.100 0.103 0.000 1.022 714 T CB 1.247 70.129 68.868 0.024 0.000 1.013 714 T HN 0.602 nan 8.240 nan 0.000 0.465 715 R N 1.618 122.195 120.500 0.129 0.000 2.673 715 R HA 0.462 4.802 4.340 -0.000 0.000 0.281 715 R C -1.539 174.848 176.300 0.145 0.000 0.991 715 R CA -1.003 55.145 56.100 0.079 0.000 0.896 715 R CB 1.657 31.921 30.300 -0.061 0.000 1.201 715 R HN 0.495 nan 8.270 nan 0.000 0.457 716 D N 2.811 123.296 120.400 0.142 0.000 2.210 716 D HA 0.405 5.045 4.640 -0.000 0.000 0.249 716 D C -0.079 176.367 176.300 0.244 0.000 1.062 716 D CA -0.216 53.929 54.000 0.242 0.000 0.891 716 D CB 1.392 42.345 40.800 0.256 0.000 1.186 716 D HN 0.409 nan 8.370 nan 0.000 0.432 717 I N -2.045 118.658 120.570 0.221 0.000 2.647 717 I HA 0.811 4.981 4.170 -0.000 0.000 0.295 717 I C -1.233 174.919 176.117 0.059 0.000 1.078 717 I CA -1.168 60.217 61.300 0.141 0.000 1.048 717 I CB 2.223 40.283 38.000 0.100 0.000 1.239 717 I HN 0.283 nan 8.210 nan 0.000 0.421 718 A N 7.279 130.123 122.820 0.039 0.000 2.342 718 A HA 0.912 5.231 4.320 -0.000 0.000 0.323 718 A C -0.988 176.593 177.584 -0.006 0.000 1.125 718 A CA -0.636 51.396 52.037 -0.008 0.000 0.785 718 A CB 1.362 20.369 19.000 0.012 0.000 1.221 718 A HN 0.796 nan 8.150 nan 0.000 0.463 719 L N 1.454 122.664 121.223 -0.022 0.000 2.445 719 L HA 0.514 4.853 4.340 -0.000 0.000 0.262 719 L C -0.621 176.246 176.870 -0.005 0.000 0.974 719 L CA -0.426 54.405 54.840 -0.014 0.000 0.822 719 L CB 2.677 44.719 42.059 -0.027 0.000 1.339 719 L HN 0.824 nan 8.230 nan 0.000 0.409 720 E N 1.407 121.610 120.200 0.005 0.000 2.238 720 E HA 0.716 5.066 4.350 -0.000 0.000 0.267 720 E C -1.491 175.115 176.600 0.010 0.000 0.887 720 E CA -0.558 55.852 56.400 0.017 0.000 0.769 720 E CB 3.528 33.246 29.700 0.030 0.000 1.187 720 E HN 0.221 nan 8.360 nan 0.000 0.416 721 V N 2.398 122.319 119.914 0.012 0.000 3.178 721 V HA 0.294 4.414 4.120 -0.000 0.000 0.302 721 V C -1.354 174.744 176.094 0.006 0.000 1.262 721 V CA -0.932 61.368 62.300 0.001 0.000 1.030 721 V CB 2.432 34.250 31.823 -0.008 0.000 1.074 721 V HN 0.667 nan 8.190 nan 0.000 0.438 722 N N 3.340 122.032 118.700 -0.014 0.000 2.353 722 N HA 0.023 4.763 4.740 -0.000 0.000 0.248 722 N C 1.171 176.648 175.510 -0.056 0.000 1.240 722 N CA 0.779 53.806 53.050 -0.038 0.000 0.862 722 N CB 0.222 38.659 38.487 -0.083 0.000 1.086 722 N HN 0.949 nan 8.380 nan 0.000 0.453 723 H N 0.791 119.848 119.070 -0.022 0.000 2.543 723 H HA -0.080 4.476 4.556 -0.001 0.000 0.286 723 H C -0.015 175.297 175.328 -0.026 0.000 1.037 723 H CA 0.999 57.028 56.048 -0.031 0.000 1.250 723 H CB 0.172 29.909 29.762 -0.043 0.000 1.373 723 H HN 0.595 nan 8.280 nan 0.000 0.580 724 D N 1.456 121.646 120.400 -0.349 0.000 2.354 724 D HA 0.018 4.657 4.640 -0.000 0.000 0.209 724 D C 0.656 176.899 176.300 -0.096 0.000 1.015 724 D CA -0.170 53.685 54.000 -0.242 0.000 0.867 724 D CB -0.046 40.576 40.800 -0.297 0.000 0.933 724 D HN 0.147 nan 8.370 nan 0.000 0.520 725 V N 4.002 123.871 119.914 -0.074 0.000 2.450 725 V HA 0.106 4.226 4.120 -0.000 0.000 0.281 725 V C -1.953 174.133 176.094 -0.014 0.000 1.019 725 V CA -1.035 61.243 62.300 -0.037 0.000 1.062 725 V CB 0.420 32.225 31.823 -0.031 0.000 0.979 725 V HN 0.069 nan 8.190 nan 0.000 0.477 726 P HA 0.082 nan 4.420 nan 0.000 0.271 726 P C 1.046 178.358 177.300 0.019 0.000 1.216 726 P CA 0.057 63.167 63.100 0.017 0.000 0.771 726 P CB 0.938 32.657 31.700 0.031 0.000 0.864 727 S N 2.577 118.290 115.700 0.021 0.000 2.380 727 S HA -0.248 4.222 4.470 -0.000 0.000 0.229 727 S C 1.957 176.580 174.600 0.037 0.000 1.043 727 S CA 2.060 60.270 58.200 0.018 0.000 1.038 727 S CB -1.602 61.605 63.200 0.011 0.000 0.872 727 S HN 0.595 nan 8.310 nan 0.000 0.456 728 S N 1.845 117.579 115.700 0.057 0.000 2.392 728 S HA -0.250 4.220 4.470 -0.000 0.000 0.232 728 S C 1.762 176.397 174.600 0.057 0.000 1.041 728 S CA 1.549 59.791 58.200 0.070 0.000 1.026 728 S CB -0.893 62.358 63.200 0.084 0.000 0.845 728 S HN 0.789 nan 8.310 nan 0.000 0.465 729 E N 1.050 121.275 120.200 0.040 0.000 2.152 729 E HA 0.069 4.419 4.350 -0.000 0.000 0.192 729 E C 2.098 178.713 176.600 0.026 0.000 0.983 729 E CA 1.077 57.495 56.400 0.030 0.000 0.818 729 E CB -0.297 29.414 29.700 0.017 0.000 0.758 729 E HN 0.554 nan 8.360 nan 0.000 0.467 730 L N 0.713 121.948 121.223 0.019 0.000 2.156 730 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 730 L C 2.218 179.098 176.870 0.016 0.000 1.095 730 L CA 1.082 55.926 54.840 0.007 0.000 0.770 730 L CB -0.219 41.835 42.059 -0.008 0.000 0.914 730 L HN 0.000 nan 8.230 nan 0.000 0.439 731 K N -0.358 120.071 120.400 0.048 0.000 2.062 731 K HA -0.189 4.131 4.320 -0.000 0.000 0.205 731 K C 2.142 178.848 176.600 0.177 0.000 1.051 731 K CA 0.920 57.265 56.287 0.098 0.000 0.941 731 K CB -0.091 32.501 32.500 0.154 0.000 0.719 731 K HN 0.024 nan 8.250 nan 0.000 0.440 732 Q N 1.472 121.352 119.800 0.134 0.000 2.045 732 Q HA -0.155 4.185 4.340 -0.000 0.000 0.206 732 Q C 1.804 177.858 176.000 0.089 0.000 0.991 732 Q CA 1.705 57.578 55.803 0.117 0.000 0.851 732 Q CB -0.329 28.448 28.738 0.065 0.000 0.911 732 Q HN 0.288 nan 8.270 nan 0.000 0.418 733 I N -0.267 120.332 120.570 0.047 0.000 2.151 733 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 733 I C 2.161 178.283 176.117 0.010 0.000 1.080 733 I CA 1.388 62.702 61.300 0.022 0.000 1.339 733 I CB -0.364 37.638 38.000 0.003 0.000 1.039 733 I HN 0.260 nan 8.210 nan 0.000 0.409 734 I N -0.370 120.189 120.570 -0.018 0.000 2.113 734 I HA -0.339 3.830 4.170 -0.000 0.000 0.238 734 I C 2.639 178.702 176.117 -0.090 0.000 1.070 734 I CA 1.474 62.722 61.300 -0.087 0.000 1.332 734 I CB -0.739 37.158 38.000 -0.171 0.000 1.044 734 I HN 0.297 nan 8.210 nan 0.000 0.402 735 H N 0.466 119.529 119.070 -0.012 0.000 2.387 735 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 735 H C 2.010 177.342 175.328 0.007 0.000 1.099 735 H CA 1.760 57.806 56.048 -0.004 0.000 1.315 735 H CB -0.496 29.265 29.762 -0.002 0.000 1.380 735 H HN 0.397 nan 8.280 nan 0.000 0.513 736 N N 0.465 119.240 118.700 0.125 0.000 2.289 736 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 736 N C 1.099 176.640 175.510 0.052 0.000 1.016 736 N CA 0.779 53.874 53.050 0.075 0.000 0.872 736 N CB 0.103 38.621 38.487 0.052 0.000 0.973 736 N HN 0.310 nan 8.380 nan 0.000 0.433 737 N N -0.967 117.756 118.700 0.039 0.000 2.203 737 N HA 0.095 4.835 4.740 -0.000 0.000 0.207 737 N C 0.905 176.445 175.510 0.051 0.000 1.130 737 N CA 0.084 53.154 53.050 0.033 0.000 0.861 737 N CB 0.897 39.393 38.487 0.014 0.000 1.005 737 N HN 0.175 nan 8.380 nan 0.000 0.507 738 G N 0.614 109.449 108.800 0.059 0.000 2.985 738 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.209 738 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.209 738 G C 0.624 175.592 174.900 0.112 0.000 1.165 738 G CA -0.026 45.132 45.100 0.095 0.000 0.776 738 G HN 0.222 nan 8.290 nan 0.000 0.541 739 E N -0.131 120.120 120.200 0.084 0.000 3.365 739 E HA -0.321 4.029 4.350 -0.000 0.000 0.433 739 E C 0.831 177.478 176.600 0.078 0.000 1.581 739 E CA 1.890 58.333 56.400 0.072 0.000 1.316 739 E CB -0.888 28.851 29.700 0.064 0.000 1.452 739 E HN 0.282 nan 8.360 nan 0.000 0.452 740 D N -0.150 120.297 120.400 0.079 0.000 2.240 740 D HA 0.084 4.724 4.640 -0.000 0.000 0.206 740 D C 1.852 178.209 176.300 0.096 0.000 0.963 740 D CA 1.581 55.626 54.000 0.074 0.000 0.863 740 D CB 0.166 41.002 40.800 0.061 0.000 0.973 740 D HN 0.469 nan 8.370 nan 0.000 0.501 741 I N -2.655 117.997 120.570 0.136 0.000 4.327 741 I HA 0.264 4.434 4.170 -0.000 0.000 0.331 741 I C 0.077 176.342 176.117 0.247 0.000 1.348 741 I CA -0.412 60.997 61.300 0.180 0.000 1.152 741 I CB 0.418 38.524 38.000 0.178 0.000 1.151 741 I HN -0.239 nan 8.210 nan 0.000 0.410 742 L N 2.197 123.532 121.223 0.187 0.000 2.433 742 L HA 0.192 4.532 4.340 -0.000 0.000 0.275 742 L C 1.100 177.989 176.870 0.032 0.000 1.128 742 L CA 0.537 55.376 54.840 -0.001 0.000 0.875 742 L CB 0.983 42.983 42.059 -0.098 0.000 1.171 742 L HN 0.203 nan 8.230 nan 0.000 0.463 743 Q N 2.121 121.920 119.800 -0.002 0.000 2.324 743 Q HA 0.236 4.575 4.340 -0.000 0.000 0.207 743 Q C -0.297 175.767 176.000 0.106 0.000 0.928 743 Q CA 0.742 56.581 55.803 0.058 0.000 0.890 743 Q CB 0.571 29.335 28.738 0.043 0.000 1.001 743 Q HN 0.813 nan 8.270 nan 0.000 0.517 744 S N -1.883 113.840 115.700 0.038 0.000 2.587 744 S HA 0.672 5.142 4.470 -0.000 0.000 0.269 744 S C -0.780 173.785 174.600 -0.058 0.000 1.154 744 S CA -0.450 57.804 58.200 0.089 0.000 0.824 744 S CB 1.342 64.581 63.200 0.065 0.000 1.118 744 S HN 0.182 nan 8.310 nan 0.000 0.462 745 T N -0.809 113.745 114.554 -0.000 0.000 2.906 745 T HA 0.792 5.141 4.350 -0.000 0.000 0.295 745 T C -1.218 173.507 174.700 0.042 0.000 1.061 745 T CA -0.803 61.274 62.100 -0.039 0.000 1.000 745 T CB 1.495 70.305 68.868 -0.097 0.000 1.103 745 T HN 1.244 nan 8.240 nan 0.000 0.486 746 L N 2.244 123.504 121.223 0.063 0.000 2.441 746 L HA 0.627 4.967 4.340 -0.000 0.000 0.270 746 L C -1.019 175.926 176.870 0.125 0.000 0.973 746 L CA -0.719 54.180 54.840 0.097 0.000 0.842 746 L CB 1.911 44.039 42.059 0.115 0.000 1.239 746 L HN 0.687 nan 8.230 nan 0.000 0.406 747 V N 6.381 126.322 119.914 0.045 0.000 2.446 747 V HA 0.068 4.188 4.120 -0.000 0.000 0.276 747 V C 0.737 176.835 176.094 0.007 0.000 1.030 747 V CA 0.555 62.831 62.300 -0.041 0.000 1.033 747 V CB -0.087 31.692 31.823 -0.072 0.000 0.993 747 V HN 0.793 nan 8.190 nan 0.000 0.477 748 F N 1.195 121.129 119.950 -0.027 0.000 2.706 748 F HA 0.642 5.169 4.527 -0.000 0.000 0.313 748 F C 0.147 175.933 175.800 -0.023 0.000 1.096 748 F CA -0.676 57.306 58.000 -0.029 0.000 1.219 748 F CB 0.521 39.509 39.000 -0.020 0.000 1.051 748 F HN 0.477 nan 8.300 nan 0.000 0.568 749 D N 0.685 120.853 120.400 -0.387 0.000 2.878 749 D HA 0.511 5.151 4.640 -0.000 0.000 0.211 749 D C -1.728 174.457 176.300 -0.192 0.000 1.271 749 D CA -0.299 53.570 54.000 -0.218 0.000 0.845 749 D CB 2.638 43.311 40.800 -0.212 0.000 1.679 749 D HN -0.042 nan 8.370 nan 0.000 0.536 750 V N 3.423 123.286 119.914 -0.084 0.000 2.604 750 V HA 0.562 4.682 4.120 -0.000 0.000 0.305 750 V C -1.140 174.986 176.094 0.053 0.000 1.043 750 V CA -0.802 61.472 62.300 -0.044 0.000 0.888 750 V CB 1.597 33.379 31.823 -0.068 0.000 0.995 750 V HN 0.608 nan 8.190 nan 0.000 0.429 751 Y N 2.816 123.088 120.300 -0.047 0.000 2.373 751 Y HA 0.641 5.191 4.550 -0.000 0.000 0.336 751 Y C -0.404 175.493 175.900 -0.005 0.000 0.979 751 Y CA -0.506 57.586 58.100 -0.013 0.000 1.080 751 Y CB 1.824 40.288 38.460 0.006 0.000 1.190 751 Y HN 0.762 nan 8.280 nan 0.000 0.446 752 E N 4.770 124.532 120.200 -0.730 0.000 2.191 752 E HA 0.655 5.005 4.350 -0.000 0.000 0.263 752 E C -0.326 175.672 176.600 -1.003 0.000 0.881 752 E CA -0.191 55.812 56.400 -0.662 0.000 0.757 752 E CB 1.230 30.736 29.700 -0.323 0.000 1.147 752 E HN 1.030 nan 8.360 nan 0.000 0.414 753 G N 3.357 111.716 108.800 -0.735 0.000 2.470 753 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.145 753 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.145 753 G C 0.409 175.256 174.900 -0.089 0.000 1.223 753 G CA 0.025 44.936 45.100 -0.316 0.000 1.058 753 G HN 0.492 nan 8.290 nan 0.000 0.469 754 E N 0.039 120.128 120.200 -0.185 0.000 2.245 754 E HA -0.246 4.104 4.350 -0.000 0.000 0.217 754 E C 1.780 178.220 176.600 -0.268 0.000 1.069 754 E CA 2.821 59.023 56.400 -0.331 0.000 0.877 754 E CB -0.309 29.030 29.700 -0.602 0.000 0.757 754 E HN 0.683 nan 8.360 nan 0.000 0.464 755 H N -1.925 117.290 119.070 0.241 0.000 2.549 755 H HA 0.399 4.955 4.556 -0.000 0.000 0.279 755 H C 0.067 175.473 175.328 0.130 0.000 1.018 755 H CA -0.361 55.755 56.048 0.113 0.000 1.175 755 H CB 0.491 30.243 29.762 -0.017 0.000 1.485 755 H HN 0.053 nan 8.280 nan 0.000 0.543 756 L N 0.793 122.185 121.223 0.282 0.000 2.319 756 L HA 0.286 4.626 4.340 -0.000 0.000 0.267 756 L C 0.023 176.952 176.870 0.099 0.000 1.011 756 L CA -1.162 53.798 54.840 0.199 0.000 0.818 756 L CB 2.320 44.545 42.059 0.277 0.000 1.316 756 L HN 0.219 nan 8.230 nan 0.000 0.432 757 E N 3.126 123.370 120.200 0.074 0.000 2.465 757 E HA -0.074 4.275 4.350 -0.000 0.000 0.260 757 E C -0.458 176.163 176.600 0.035 0.000 0.980 757 E CA -0.092 56.335 56.400 0.046 0.000 0.927 757 E CB 0.691 30.415 29.700 0.041 0.000 0.934 757 E HN 0.328 nan 8.360 nan 0.000 0.459 758 K N 3.020 123.432 120.400 0.020 0.000 2.472 758 K HA -0.026 4.293 4.320 -0.000 0.000 0.280 758 K C 0.602 177.222 176.600 0.035 0.000 1.028 758 K CA 1.151 57.442 56.287 0.007 0.000 1.045 758 K CB -0.042 32.456 32.500 -0.003 0.000 0.902 758 K HN 0.812 nan 8.250 nan 0.000 0.478 759 G N 3.086 111.913 108.800 0.045 0.000 2.176 759 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.253 759 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.253 759 G C -0.271 174.738 174.900 0.181 0.000 0.979 759 G CA -0.051 45.164 45.100 0.191 0.000 0.641 759 G HN 0.530 nan 8.290 nan 0.000 0.530 760 K N 0.666 121.121 120.400 0.090 0.000 2.156 760 K HA 0.548 4.868 4.320 -0.000 0.000 0.254 760 K C 0.325 176.962 176.600 0.061 0.000 0.950 760 K CA -0.520 55.810 56.287 0.072 0.000 0.849 760 K CB 1.842 34.375 32.500 0.056 0.000 1.100 760 K HN 0.592 nan 8.250 nan 0.000 0.434 761 K N -0.738 119.696 120.400 0.056 0.000 2.281 761 K HA 0.452 4.772 4.320 -0.000 0.000 0.242 761 K C -0.386 176.247 176.600 0.055 0.000 0.971 761 K CA -0.787 55.522 56.287 0.036 0.000 0.834 761 K CB 1.831 34.339 32.500 0.013 0.000 1.181 761 K HN 0.228 nan 8.250 nan 0.000 0.435 762 S N 0.995 116.751 115.700 0.094 0.000 2.508 762 S HA 0.410 4.880 4.470 -0.000 0.000 0.284 762 S C -0.901 173.703 174.600 0.007 0.000 1.192 762 S CA -0.680 57.562 58.200 0.069 0.000 1.070 762 S CB 0.734 64.008 63.200 0.122 0.000 1.004 762 S HN 0.390 nan 8.310 nan 0.000 0.493 763 V N 3.860 123.747 119.914 -0.045 0.000 2.443 763 V HA 0.678 4.798 4.120 -0.000 0.000 0.293 763 V C 0.012 175.993 176.094 -0.188 0.000 1.021 763 V CA -0.864 61.370 62.300 -0.110 0.000 0.848 763 V CB 1.256 33.029 31.823 -0.083 0.000 0.998 763 V HN 0.984 nan 8.190 nan 0.000 0.424 764 A N 6.832 129.429 122.820 -0.372 0.000 2.274 764 A HA 0.904 5.224 4.320 -0.000 0.000 0.309 764 A C -0.611 176.510 177.584 -0.771 0.000 1.226 764 A CA -0.355 51.297 52.037 -0.642 0.000 0.853 764 A CB 0.395 18.768 19.000 -1.046 0.000 1.146 764 A HN 0.774 nan 8.150 nan 0.000 0.518 765 I N 1.824 122.203 120.570 -0.319 0.000 2.582 765 I HA 0.441 4.611 4.170 -0.000 0.000 0.292 765 I C 0.012 176.274 176.117 0.242 0.000 1.066 765 I CA -0.564 60.708 61.300 -0.046 0.000 1.053 765 I CB 2.244 40.223 38.000 -0.036 0.000 1.241 765 I HN 0.772 nan 8.210 nan 0.000 0.421 766 R N 6.786 127.486 120.500 0.333 0.000 2.338 766 R HA 0.665 5.005 4.340 -0.000 0.000 0.317 766 R C -1.577 174.763 176.300 0.066 0.000 0.968 766 R CA -0.560 55.691 56.100 0.251 0.000 0.849 766 R CB 1.044 31.448 30.300 0.172 0.000 1.128 766 R HN 0.596 nan 8.270 nan 0.000 0.448 767 L N 4.118 125.345 121.223 0.006 0.000 2.295 767 L HA 0.474 4.814 4.340 -0.000 0.000 0.285 767 L C -0.383 176.343 176.870 -0.240 0.000 1.035 767 L CA -1.033 53.694 54.840 -0.188 0.000 0.806 767 L CB 1.538 43.407 42.059 -0.317 0.000 1.214 767 L HN 0.544 nan 8.230 nan 0.000 0.426 768 N N 2.935 121.477 118.700 -0.265 0.000 2.446 768 N HA 0.389 5.129 4.740 -0.000 0.000 0.265 768 N C -1.287 174.116 175.510 -0.178 0.000 0.975 768 N CA -0.387 52.583 53.050 -0.134 0.000 0.928 768 N CB 1.719 40.174 38.487 -0.053 0.000 1.160 768 N HN 0.415 nan 8.380 nan 0.000 0.495 769 Y N 1.227 121.541 120.300 0.024 0.000 2.387 769 Y HA 0.594 5.144 4.550 -0.000 0.000 0.336 769 Y C 0.077 175.995 175.900 0.030 0.000 1.067 769 Y CA -0.920 57.197 58.100 0.028 0.000 1.114 769 Y CB 1.783 40.258 38.460 0.025 0.000 1.208 769 Y HN 0.365 nan 8.280 nan 0.000 0.458 770 L N 3.044 124.382 121.223 0.192 0.000 2.472 770 L HA 0.556 4.896 4.340 -0.000 0.000 0.260 770 L C -1.407 175.536 176.870 0.121 0.000 0.963 770 L CA -0.312 54.608 54.840 0.134 0.000 0.829 770 L CB 2.232 44.347 42.059 0.093 0.000 1.348 770 L HN 0.802 nan 8.230 nan 0.000 0.408 777 T N -1.409 113.089 114.554 -0.093 0.000 2.907 777 T HA 0.153 4.503 4.350 -0.000 0.000 0.298 777 T C 0.920 175.561 174.700 -0.099 0.000 1.017 777 T CA -0.186 61.860 62.100 -0.089 0.000 1.118 777 T CB 0.792 69.614 68.868 -0.075 0.000 0.948 777 T HN 0.658 nan 8.240 nan 0.000 0.531 778 D N 1.209 121.554 120.400 -0.090 0.000 2.271 778 D HA -0.146 4.494 4.640 -0.000 0.000 0.207 778 D C 1.513 177.755 176.300 -0.097 0.000 0.983 778 D CA 1.249 55.191 54.000 -0.096 0.000 0.878 778 D CB 0.377 41.132 40.800 -0.075 0.000 0.920 778 D HN 0.842 nan 8.370 nan 0.000 0.479 779 E N -0.018 120.133 120.200 -0.081 0.000 2.340 779 E HA -0.021 4.329 4.350 -0.000 0.000 0.198 779 E C 2.124 178.683 176.600 -0.069 0.000 0.961 779 E CA -0.208 56.154 56.400 -0.063 0.000 0.905 779 E CB -0.320 29.351 29.700 -0.049 0.000 0.884 779 E HN 0.199 nan 8.360 nan 0.000 0.491 780 R N 1.461 121.912 120.500 -0.081 0.000 2.061 780 R HA -0.057 4.283 4.340 -0.000 0.000 0.230 780 R C 2.380 178.601 176.300 -0.131 0.000 1.140 780 R CA 1.508 57.557 56.100 -0.084 0.000 0.940 780 R CB -0.206 30.046 30.300 -0.079 0.000 0.839 780 R HN -0.006 nan 8.270 nan 0.000 0.429 781 V N 0.511 120.298 119.914 -0.211 0.000 2.332 781 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 781 V C 2.323 178.254 176.094 -0.271 0.000 1.055 781 V CA 2.117 64.175 62.300 -0.404 0.000 1.038 781 V CB -0.427 31.104 31.823 -0.487 0.000 0.651 781 V HN 0.390 nan 8.190 nan 0.000 0.450 782 S N -0.315 115.290 115.700 -0.159 0.000 2.353 782 S HA -0.294 4.176 4.470 -0.000 0.000 0.222 782 S C 2.022 176.617 174.600 -0.007 0.000 1.035 782 S CA 2.135 60.296 58.200 -0.066 0.000 1.025 782 S CB -0.387 62.779 63.200 -0.056 0.000 0.902 782 S HN 0.674 nan 8.310 nan 0.000 0.440 783 K N 1.041 121.426 120.400 -0.025 0.000 2.113 783 K HA -0.098 4.222 4.320 -0.000 0.000 0.208 783 K C 1.840 178.451 176.600 0.017 0.000 1.047 783 K CA 1.577 57.862 56.287 -0.004 0.000 0.928 783 K CB -0.290 32.202 32.500 -0.013 0.000 0.716 783 K HN 0.355 nan 8.250 nan 0.000 0.446 784 I N -0.511 120.066 120.570 0.013 0.000 2.400 784 I HA -0.147 4.022 4.170 -0.000 0.000 0.248 784 I C 2.305 178.488 176.117 0.109 0.000 1.109 784 I CA 1.006 62.337 61.300 0.053 0.000 1.425 784 I CB -0.276 37.760 38.000 0.059 0.000 1.094 784 I HN 0.336 nan 8.210 nan 0.000 0.425 785 H N 1.256 120.341 119.070 0.026 0.000 2.387 785 H HA -0.200 4.356 4.556 -0.000 0.000 0.299 785 H C 1.724 177.086 175.328 0.057 0.000 1.090 785 H CA 1.965 58.072 56.048 0.099 0.000 1.332 785 H CB 0.088 29.890 29.762 0.067 0.000 1.386 785 H HN 0.190 nan 8.280 nan 0.000 0.516 786 D N -0.053 120.413 120.400 0.110 0.000 2.178 786 D HA -0.146 4.494 4.640 -0.000 0.000 0.202 786 D C 2.080 178.379 176.300 -0.002 0.000 0.974 786 D CA 1.080 55.110 54.000 0.049 0.000 0.841 786 D CB -0.174 40.657 40.800 0.052 0.000 0.953 786 D HN 0.511 nan 8.370 nan 0.000 0.478 787 K N 0.688 121.091 120.400 0.004 0.000 2.155 787 K HA -0.047 4.272 4.320 -0.000 0.000 0.203 787 K C 2.108 178.696 176.600 -0.021 0.000 1.052 787 K CA 0.487 56.773 56.287 -0.002 0.000 0.948 787 K CB -0.066 32.441 32.500 0.012 0.000 0.728 787 K HN 0.092 nan 8.250 nan 0.000 0.448 788 I N 1.120 121.664 120.570 -0.042 0.000 2.202 788 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 788 I C 2.149 178.206 176.117 -0.100 0.000 1.091 788 I CA 0.485 61.742 61.300 -0.072 0.000 1.368 788 I CB -0.163 37.771 38.000 -0.109 0.000 1.058 788 I HN 0.140 nan 8.210 nan 0.000 0.410 789 L N 0.838 121.973 121.223 -0.147 0.000 1.990 789 L HA -0.274 4.065 4.340 -0.000 0.000 0.213 789 L C 2.486 179.325 176.870 -0.052 0.000 1.072 789 L CA 1.960 56.735 54.840 -0.109 0.000 0.755 789 L CB -1.109 40.890 42.059 -0.100 0.000 0.889 789 L HN 0.297 nan 8.230 nan 0.000 0.432 790 E N -1.065 119.115 120.200 -0.034 0.000 2.118 790 E HA -0.227 4.122 4.350 -0.000 0.000 0.195 790 E C 2.158 178.748 176.600 -0.018 0.000 0.992 790 E CA 1.179 57.568 56.400 -0.018 0.000 0.804 790 E CB -0.271 29.424 29.700 -0.009 0.000 0.741 790 E HN 0.549 nan 8.360 nan 0.000 0.458 791 A N 1.291 124.099 122.820 -0.021 0.000 1.902 791 A HA -0.146 4.173 4.320 -0.000 0.000 0.217 791 A C 2.222 179.796 177.584 -0.017 0.000 1.181 791 A CA 1.033 53.061 52.037 -0.015 0.000 0.623 791 A CB -0.632 18.359 19.000 -0.014 0.000 0.818 791 A HN 0.124 nan 8.150 nan 0.000 0.443 792 L N -0.791 120.415 121.223 -0.028 0.000 2.083 792 L HA -0.262 4.077 4.340 -0.000 0.000 0.209 792 L C 2.883 179.742 176.870 -0.019 0.000 1.083 792 L CA 1.603 56.427 54.840 -0.026 0.000 0.752 792 L CB -0.523 41.513 42.059 -0.039 0.000 0.899 792 L HN 0.483 nan 8.230 nan 0.000 0.433 793 Q N -0.481 119.308 119.800 -0.018 0.000 2.119 793 Q HA -0.164 4.176 4.340 -0.000 0.000 0.201 793 Q C 2.443 178.438 176.000 -0.008 0.000 0.972 793 Q CA 1.329 57.126 55.803 -0.011 0.000 0.847 793 Q CB -0.256 28.477 28.738 -0.008 0.000 0.903 793 Q HN 0.566 nan 8.270 nan 0.000 0.433 794 A N 0.833 123.648 122.820 -0.008 0.000 2.024 794 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 794 A C 1.714 179.295 177.584 -0.006 0.000 1.164 794 A CA 1.214 53.248 52.037 -0.005 0.000 0.643 794 A CB -0.070 18.928 19.000 -0.005 0.000 0.806 794 A HN 0.225 nan 8.150 nan 0.000 0.451 795 Q N -1.569 118.227 119.800 -0.007 0.000 2.201 795 Q HA 0.280 4.620 4.340 -0.000 0.000 0.217 795 Q C 0.874 176.868 176.000 -0.009 0.000 0.860 795 Q CA 0.583 56.381 55.803 -0.008 0.000 0.984 795 Q CB 0.347 29.081 28.738 -0.007 0.000 1.095 795 Q HN 0.944 nan 8.270 nan 0.000 0.477 796 G N 0.548 109.343 108.800 -0.008 0.000 2.157 796 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.239 796 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.239 796 G C 0.301 175.196 174.900 -0.007 0.000 0.982 796 G CA 0.016 45.111 45.100 -0.008 0.000 0.650 796 G HN 0.525 nan 8.290 nan 0.000 0.527 797 A N 0.534 123.348 122.820 -0.009 0.000 2.409 797 A HA 0.715 5.035 4.320 -0.000 0.000 0.262 797 A C 0.748 178.330 177.584 -0.004 0.000 1.113 797 A CA 1.075 53.107 52.037 -0.008 0.000 0.790 797 A CB 0.557 19.549 19.000 -0.014 0.000 1.046 797 A HN 1.692 nan 8.150 nan 0.000 0.496 798 T N 2.503 117.058 114.554 0.001 0.000 2.767 798 T HA 0.416 4.766 4.350 -0.000 0.000 0.288 798 T C 1.193 175.896 174.700 0.004 0.000 0.963 798 T CA -0.814 61.288 62.100 0.004 0.000 1.019 798 T CB -0.029 68.844 68.868 0.009 0.000 0.923 798 T HN 0.328 nan 8.240 nan 0.000 0.468 799 I N 3.535 124.108 120.570 0.005 0.000 2.036 799 I HA -0.014 4.156 4.170 -0.000 0.000 0.231 799 I C 1.795 177.921 176.117 0.015 0.000 1.044 799 I CA 1.589 62.895 61.300 0.009 0.000 1.315 799 I CB -1.814 36.193 38.000 0.012 0.000 1.051 799 I HN 1.090 nan 8.210 nan 0.000 0.391 800 R N 0.000 120.510 120.500 0.017 0.000 2.786 800 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 800 R CA 0.000 56.112 56.100 0.019 0.000 0.921 800 R CB 0.000 30.310 30.300 0.016 0.000 0.687 800 R HN 0.000 nan 8.270 nan 0.000 0.535