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 2pn5_1_A DATA FIRST_RESID 1 DATA SEQUENCE LLVVGPKFIR ANQEYTLVIS NFNSQLSKVD LLLKLEXXXX XXLSVLNVTK DATA SEQUENCE MVDVRRNMNR MINFNMPEDL TAGNYKITID GQRGFSFHKE AELVYLSKSI DATA SEQUENCE SGLIQVDKPV FKPGDTVNFR VIVLDTELKP PARVKSVYVT IRDPQRNVIR DATA SEQUENCE KWSTAKLYAG VFESDLQIAP TPMLGVWNIS VEVEGEELVS KTFEVKEYVL DATA SEQUENCE STFDVQVMPS VIPLEEHQAV NLTIEANYHF GKPVQGVAKV ELYLDDDKLK DATA SEQUENCE LKKELTVYGK GQVELRFDNF AMDADQQDVP VKVSFVEQYT NRTVVKQSQI DATA SEQUENCE TVYRYAYRVE LIKESPQFRP GLPFKCALQF THHDGTPAKG ISGKVEVSDV DATA SEQUENCE RFETTTTSDN DGLIKLELQP SEGTEQLSIH FNAVDGFFFY EDVNKVETVT DATA SEQUENCE DAYIKLELKS PIKRNKLMRF MVTCTERMTF FVYYVMSKGN IIDAGFMRPN DATA SEQUENCE KQPKYLLQLN ATEKMIPRAK ILIATVAGRT VVYDFADLAF QELRNNFDLS DATA SEQUENCE IDEQEIKPGR QIELSMSGRP GAYVGLAAYD KALLLFNKNH DLFWEDIGQV DATA SEQUENCE FDGFHXXXEN EFDIFHSLGL FARTLDDILF DSXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXQE SWLWKNVSIG RSGSRKLIEV VPDTTTSWYL TGFSIDPVYG DATA SEQUENCE LGIIKKPIQF TTVQPFYIVE NLPYSIKRGE AVVLQFTLFN NLGAEYIADV DATA SEQUENCE TLYNVANQTE FVGRPNTDLS YTKSVSVPPK VGVPISFLIK ARKLGEMAVR DATA SEQUENCE VKASIMLGHE TDALEKVIRV MPESLVQPRM DTRFFCFDDH KNQTFPINLD DATA SEQUENCE INKKADSGST KIEFRLNPNL LTTVIKNLDH LLGVPTGCGE QNMVKFVPNI DATA SEQUENCE LVLDYLHAIG SKEQHLIDKA TNLLRQGYQN QMRYRQTDGS FGLWETTNGS DATA SEQUENCE VFLTAFVGTS MQTAVKYISD IDAAMVEKAL DWLASKQHFS GRFDKAGAEY DATA SEQUENCE HKEMQGGLRN GVALTSYVLM ALLENDIAKA KHAEVIQKGM TYLSNQFGSI DATA SEQUENCE NNAYDLSIAT YAMMLNGHTM KEEALNKLID MSFIDADKNE RFWNTTNPIE DATA SEQUENCE TTAYALLSFV MAEKYTDGIP VMNWLVNQRY VTGSFPSTQD TFVGLKALTK DATA SEQUENCE MAEKISPSRN DYTVQLKYKK SAKYFKINSE QIDVENFVDI PEDTKKLEIN DATA SEQUENCE VGGIGFGLLE VVYQFNLNLV NFENRFQLDL EKQNTGSDYE LRLKVcASYI DATA SEQUENCE PQLTDRRSNM ALIEVTLPSG YVVDRNPISE QTKVNPIQKT EIRYGGTSVV DATA SEQUENCE LYYDNMGSER NcFTLTAYRR FKVALKRPAY VVVYDYYNTN LNAIKVYEVD DATA SEQUENCE KQNLcEIcDE EDcPAEcG 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.963 176.870 0.155 0.000 1.165 1 L CA 0.000 54.580 54.840 -0.434 0.000 0.813 1 L CB 0.000 41.903 42.059 -0.260 0.000 0.961 2 L N 4.798 126.211 121.223 0.317 0.000 2.372 2 L HA 0.823 5.163 4.340 -0.000 0.000 0.274 2 L C -1.486 175.558 176.870 0.290 0.000 0.988 2 L CA -0.380 54.740 54.840 0.466 0.000 0.833 2 L CB 1.877 44.331 42.059 0.659 0.000 1.236 2 L HN 0.289 nan 8.230 nan 0.000 0.410 3 V N 5.825 125.882 119.914 0.239 0.000 2.384 3 V HA 0.660 4.779 4.120 -0.000 0.000 0.287 3 V C -0.532 175.499 176.094 -0.105 0.000 1.020 3 V CA -0.612 61.765 62.300 0.128 0.000 0.850 3 V CB 1.753 33.716 31.823 0.234 0.000 0.987 3 V HN 0.499 nan 8.190 nan 0.000 0.436 4 V N 4.022 123.804 119.914 -0.220 0.000 2.525 4 V HA 0.900 5.020 4.120 -0.000 0.000 0.299 4 V C 0.390 176.152 176.094 -0.554 0.000 1.034 4 V CA -0.118 61.841 62.300 -0.569 0.000 0.863 4 V CB 1.722 33.200 31.823 -0.575 0.000 0.999 4 V HN 0.992 nan 8.190 nan 0.000 0.423 5 G N 4.779 113.021 108.800 -0.929 0.000 2.680 5 G HA2 0.803 4.762 3.960 -0.000 0.000 0.290 5 G HA3 0.803 4.762 3.960 -0.000 0.000 0.290 5 G C -3.342 171.398 174.900 -0.266 0.000 1.355 5 G CA -1.795 43.043 45.100 -0.437 0.000 0.903 5 G HN 0.477 nan 8.290 nan 0.000 0.474 6 P HA 0.203 nan 4.420 nan 0.000 0.270 6 P C 0.246 177.749 177.300 0.339 0.000 1.223 6 P CA -0.144 62.988 63.100 0.054 0.000 0.785 6 P CB 1.328 33.021 31.700 -0.013 0.000 0.923 7 K N 0.597 121.126 120.400 0.215 0.000 2.352 7 K HA 0.175 4.495 4.320 -0.000 0.000 0.194 7 K C -0.262 176.147 176.600 -0.317 0.000 1.038 7 K CA 0.288 56.548 56.287 -0.045 0.000 1.023 7 K CB 0.157 32.482 32.500 -0.292 0.000 0.840 7 K HN 0.294 nan 8.250 nan 0.000 0.519 8 F N 0.678 120.607 119.950 -0.035 0.000 2.469 8 F HA 0.400 4.926 4.527 -0.000 0.000 0.332 8 F C -0.231 175.565 175.800 -0.006 0.000 1.103 8 F CA -1.111 56.841 58.000 -0.080 0.000 0.979 8 F CB 1.147 40.041 39.000 -0.177 0.000 1.137 8 F HN -0.250 nan 8.300 nan 0.000 0.463 9 I N 3.363 123.972 120.570 0.065 0.000 2.530 9 I HA 0.514 4.684 4.170 -0.000 0.000 0.297 9 I C -0.147 175.949 176.117 -0.036 0.000 1.011 9 I CA -0.445 60.853 61.300 -0.004 0.000 1.107 9 I CB 1.656 39.532 38.000 -0.207 0.000 1.285 9 I HN 0.552 nan 8.210 nan 0.000 0.436 10 R N 2.749 123.252 120.500 0.006 0.000 2.950 10 R HA 0.703 5.043 4.340 -0.000 0.000 0.253 10 R C 0.608 176.944 176.300 0.060 0.000 1.168 10 R CA -0.655 55.436 56.100 -0.015 0.000 1.014 10 R CB 1.423 31.718 30.300 -0.008 0.000 1.228 10 R HN 0.659 nan 8.270 nan 0.000 0.487 11 A N 0.462 123.329 122.820 0.077 0.000 1.969 11 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 11 A C 1.149 178.779 177.584 0.077 0.000 1.169 11 A CA 1.793 53.895 52.037 0.109 0.000 0.635 11 A CB -0.262 18.805 19.000 0.112 0.000 0.810 11 A HN 0.780 nan 8.150 nan 0.000 0.445 12 N N -2.134 116.604 118.700 0.064 0.000 2.325 12 N HA 0.093 4.833 4.740 -0.000 0.000 0.220 12 N C -0.089 175.462 175.510 0.069 0.000 1.176 12 N CA -0.225 52.862 53.050 0.061 0.000 0.861 12 N CB 0.315 38.832 38.487 0.049 0.000 1.230 12 N HN 0.375 nan 8.380 nan 0.000 0.479 13 Q N 1.605 121.447 119.800 0.070 0.000 2.304 13 Q HA -0.030 4.310 4.340 -0.000 0.000 0.301 13 Q C -0.532 175.538 176.000 0.117 0.000 1.063 13 Q CA 0.839 56.691 55.803 0.082 0.000 0.947 13 Q CB 0.512 29.298 28.738 0.080 0.000 1.201 13 Q HN 0.262 nan 8.270 nan 0.000 0.389 14 E N 2.072 122.339 120.200 0.111 0.000 2.324 14 E HA -0.043 4.307 4.350 -0.000 0.000 0.271 14 E C -1.135 175.580 176.600 0.192 0.000 1.028 14 E CA 0.065 56.552 56.400 0.146 0.000 0.890 14 E CB 0.473 30.233 29.700 0.099 0.000 1.004 14 E HN 0.387 nan 8.360 nan 0.000 0.431 15 Y N 2.966 123.358 120.300 0.154 0.000 2.383 15 Y HA 0.111 4.661 4.550 -0.000 0.000 0.344 15 Y C -0.501 175.548 175.900 0.248 0.000 0.986 15 Y CA -0.215 57.988 58.100 0.172 0.000 1.175 15 Y CB 0.885 39.428 38.460 0.139 0.000 1.152 15 Y HN 0.232 nan 8.280 nan 0.000 0.511 16 T N 8.537 122.963 114.554 -0.213 0.000 2.770 16 T HA 0.284 4.634 4.350 -0.000 0.000 0.297 16 T C -0.885 173.696 174.700 -0.197 0.000 0.997 16 T CA -0.497 61.551 62.100 -0.087 0.000 0.949 16 T CB 0.355 69.194 68.868 -0.049 0.000 0.941 16 T HN 0.530 nan 8.240 nan 0.000 0.457 17 L N 5.218 126.476 121.223 0.059 0.000 2.350 17 L HA 0.661 5.001 4.340 -0.000 0.000 0.275 17 L C -0.751 176.162 176.870 0.072 0.000 1.099 17 L CA -0.200 54.696 54.840 0.094 0.000 0.808 17 L CB 1.014 43.282 42.059 0.349 0.000 1.149 17 L HN 0.381 nan 8.230 nan 0.000 0.442 18 V N 6.332 126.275 119.914 0.049 0.000 2.487 18 V HA 0.483 4.603 4.120 -0.000 0.000 0.298 18 V C -0.165 175.994 176.094 0.108 0.000 1.028 18 V CA -0.459 61.897 62.300 0.094 0.000 0.860 18 V CB 1.594 33.528 31.823 0.185 0.000 0.991 18 V HN 0.583 nan 8.190 nan 0.000 0.427 19 I N 3.384 124.005 120.570 0.084 0.000 2.406 19 I HA 0.487 4.657 4.170 -0.000 0.000 0.290 19 I C -0.128 176.033 176.117 0.073 0.000 0.999 19 I CA -0.108 61.232 61.300 0.065 0.000 1.124 19 I CB 2.128 40.125 38.000 -0.004 0.000 1.289 19 I HN 0.533 nan 8.210 nan 0.000 0.441 20 S N 4.709 120.498 115.700 0.150 0.000 2.498 20 S HA 0.353 4.823 4.470 -0.000 0.000 0.317 20 S C -0.414 174.258 174.600 0.119 0.000 1.090 20 S CA -0.699 57.651 58.200 0.250 0.000 1.089 20 S CB 1.180 64.656 63.200 0.460 0.000 0.997 20 S HN 0.552 nan 8.310 nan 0.000 0.470 21 N N 2.363 121.018 118.700 -0.076 0.000 2.546 21 N HA 0.343 5.083 4.740 -0.000 0.000 0.238 21 N C -0.334 174.992 175.510 -0.307 0.000 0.984 21 N CA -1.073 51.774 53.050 -0.338 0.000 0.935 21 N CB 0.007 38.260 38.487 -0.389 0.000 1.122 21 N HN 0.614 nan 8.380 nan 0.000 0.510 22 F N 0.323 120.176 119.950 -0.161 0.000 2.661 22 F HA 0.510 5.037 4.527 -0.000 0.000 0.306 22 F C -0.190 175.485 175.800 -0.208 0.000 1.094 22 F CA -1.096 56.715 58.000 -0.315 0.000 1.254 22 F CB -0.705 37.794 39.000 -0.834 0.000 1.040 22 F HN 0.086 nan 8.300 nan 0.000 0.562 23 N N 1.182 119.679 118.700 -0.339 0.000 2.475 23 N HA 0.106 4.846 4.740 -0.000 0.000 0.267 23 N C 0.887 176.341 175.510 -0.094 0.000 1.169 23 N CA 0.375 53.331 53.050 -0.157 0.000 0.947 23 N CB 0.990 39.368 38.487 -0.181 0.000 1.061 23 N HN 0.298 nan 8.380 nan 0.000 0.466 24 S N 0.994 116.685 115.700 -0.015 0.000 2.556 24 S HA 0.024 4.494 4.470 -0.000 0.000 0.216 24 S C 1.090 175.684 174.600 -0.010 0.000 0.970 24 S CA -0.106 58.087 58.200 -0.012 0.000 0.912 24 S CB 0.196 63.412 63.200 0.027 0.000 0.790 24 S HN 0.438 nan 8.310 nan 0.000 0.504 25 Q N 1.666 121.465 119.800 -0.001 0.000 1.916 25 Q HA 0.273 4.613 4.340 -0.000 0.000 0.203 25 Q C 0.679 176.670 176.000 -0.015 0.000 0.983 25 Q CA 0.937 56.745 55.803 0.010 0.000 0.846 25 Q CB -0.485 28.278 28.738 0.042 0.000 0.909 25 Q HN 0.482 nan 8.270 nan 0.000 0.427 26 L N 0.332 121.535 121.223 -0.035 0.000 2.475 26 L HA 0.051 4.391 4.340 -0.000 0.000 0.253 26 L C 1.310 178.124 176.870 -0.095 0.000 1.198 26 L CA 0.264 55.065 54.840 -0.065 0.000 0.814 26 L CB 0.580 42.581 42.059 -0.096 0.000 1.134 26 L HN 0.322 nan 8.230 nan 0.000 0.478 27 S N -0.872 114.771 115.700 -0.096 0.000 2.470 27 S HA 0.085 4.555 4.470 -0.000 0.000 0.222 27 S C 0.177 174.691 174.600 -0.143 0.000 1.024 27 S CA -0.029 58.108 58.200 -0.106 0.000 0.931 27 S CB -0.013 63.139 63.200 -0.079 0.000 0.791 27 S HN 0.656 nan 8.310 nan 0.000 0.513 28 K N -0.440 119.863 120.400 -0.162 0.000 2.556 28 K HA 0.729 5.049 4.320 -0.000 0.000 0.274 28 K C -1.886 174.556 176.600 -0.264 0.000 0.966 28 K CA -1.035 55.131 56.287 -0.201 0.000 0.865 28 K CB 1.920 34.325 32.500 -0.158 0.000 1.444 28 K HN -0.063 nan 8.250 nan 0.000 0.433 29 V N 1.228 120.942 119.914 -0.334 0.000 2.680 29 V HA 0.355 4.475 4.120 -0.000 0.000 0.309 29 V C -1.064 174.835 176.094 -0.325 0.000 1.052 29 V CA -0.755 61.266 62.300 -0.466 0.000 0.908 29 V CB 1.917 33.272 31.823 -0.781 0.000 1.001 29 V HN 0.800 nan 8.190 nan 0.000 0.431 30 D N 4.122 124.367 120.400 -0.259 0.000 2.192 30 D HA 0.705 5.345 4.640 -0.000 0.000 0.246 30 D C -0.854 175.384 176.300 -0.104 0.000 1.042 30 D CA -0.135 53.780 54.000 -0.142 0.000 0.847 30 D CB 2.637 43.391 40.800 -0.076 0.000 1.186 30 D HN 0.258 nan 8.370 nan 0.000 0.461 31 L N 1.655 122.836 121.223 -0.069 0.000 2.409 31 L HA 0.419 4.759 4.340 -0.000 0.000 0.262 31 L C -1.022 175.862 176.870 0.023 0.000 0.992 31 L CA -1.006 53.820 54.840 -0.024 0.000 0.817 31 L CB 2.504 44.520 42.059 -0.072 0.000 1.350 31 L HN 0.107 nan 8.230 nan 0.000 0.411 32 L N 3.348 124.610 121.223 0.065 0.000 2.307 32 L HA 0.582 4.922 4.340 -0.000 0.000 0.284 32 L C -1.091 175.839 176.870 0.100 0.000 1.023 32 L CA 0.002 54.888 54.840 0.078 0.000 0.810 32 L CB 1.315 43.423 42.059 0.082 0.000 1.231 32 L HN 0.440 nan 8.230 nan 0.000 0.423 33 L N 5.843 127.133 121.223 0.113 0.000 2.408 33 L HA 0.450 4.790 4.340 -0.000 0.000 0.257 33 L C -0.215 176.731 176.870 0.126 0.000 1.053 33 L CA -0.499 54.428 54.840 0.146 0.000 0.922 33 L CB 0.595 42.793 42.059 0.232 0.000 1.261 33 L HN 0.531 nan 8.230 nan 0.000 0.458 34 K N 3.237 123.680 120.400 0.072 0.000 2.276 34 K HA 0.472 4.792 4.320 -0.000 0.000 0.283 34 K C -0.753 175.825 176.600 -0.037 0.000 1.044 34 K CA -0.282 56.023 56.287 0.031 0.000 0.944 34 K CB 1.870 34.385 32.500 0.026 0.000 1.012 34 K HN 0.396 nan 8.250 nan 0.000 0.472 35 L N 3.933 125.113 121.223 -0.073 0.000 2.388 35 L HA 0.285 4.625 4.340 -0.000 0.000 0.267 35 L C -0.813 175.993 176.870 -0.106 0.000 0.995 35 L CA -0.115 54.616 54.840 -0.181 0.000 0.864 35 L CB 0.822 42.637 42.059 -0.407 0.000 1.216 35 L HN 0.716 nan 8.230 nan 0.000 0.430 44 S N -0.424 115.180 115.700 -0.160 0.000 3.983 44 S HA 0.292 4.762 4.470 -0.000 0.000 0.194 44 S C 0.365 174.908 174.600 -0.094 0.000 1.464 44 S CA -0.510 57.618 58.200 -0.120 0.000 1.021 44 S CB 0.048 63.198 63.200 -0.083 0.000 1.424 44 S HN 0.374 nan 8.310 nan 0.000 0.473 45 V N 0.750 120.598 119.914 -0.110 0.000 3.085 45 V HA 0.313 4.433 4.120 -0.000 0.000 0.245 45 V C 0.729 176.825 176.094 0.003 0.000 1.114 45 V CA 0.499 62.769 62.300 -0.050 0.000 1.108 45 V CB -0.120 31.674 31.823 -0.048 0.000 0.798 45 V HN 0.637 nan 8.190 nan 0.000 0.471 46 L N 1.050 122.283 121.223 0.017 0.000 2.325 46 L HA 0.539 4.879 4.340 -0.000 0.000 0.278 46 L C -0.343 176.530 176.870 0.005 0.000 1.023 46 L CA -0.190 54.675 54.840 0.042 0.000 0.811 46 L CB 1.606 43.727 42.059 0.103 0.000 1.249 46 L HN 0.155 nan 8.230 nan 0.000 0.431 47 N N 2.408 121.118 118.700 0.016 0.000 2.700 47 N HA 0.230 4.970 4.740 -0.000 0.000 0.242 47 N C -1.667 173.865 175.510 0.037 0.000 1.541 47 N CA -0.099 52.958 53.050 0.012 0.000 0.764 47 N CB 0.890 39.379 38.487 0.003 0.000 1.319 47 N HN 0.133 nan 8.380 nan 0.000 0.518 48 V N 0.954 120.900 119.914 0.054 0.000 2.417 48 V HA 0.645 4.765 4.120 -0.000 0.000 0.291 48 V C 0.096 176.274 176.094 0.140 0.000 1.024 48 V CA -0.297 62.074 62.300 0.117 0.000 0.861 48 V CB 1.600 33.544 31.823 0.203 0.000 0.985 48 V HN 0.350 nan 8.190 nan 0.000 0.436 49 T N 4.422 119.059 114.554 0.138 0.000 2.900 49 T HA 0.628 4.978 4.350 -0.000 0.000 0.295 49 T C -0.743 174.036 174.700 0.131 0.000 1.044 49 T CA -0.945 61.234 62.100 0.132 0.000 0.995 49 T CB 1.993 70.908 68.868 0.078 0.000 1.072 49 T HN 0.569 nan 8.240 nan 0.000 0.473 50 K N 2.598 123.078 120.400 0.134 0.000 2.601 50 K HA 0.371 4.691 4.320 -0.000 0.000 0.249 50 K C -0.484 176.149 176.600 0.055 0.000 0.966 50 K CA -0.596 55.737 56.287 0.076 0.000 0.827 50 K CB 1.839 34.367 32.500 0.047 0.000 1.178 50 K HN 0.697 nan 8.250 nan 0.000 0.437 51 M N 1.601 121.218 119.600 0.027 0.000 2.266 51 M HA 0.313 4.793 4.480 -0.000 0.000 0.340 51 M C -0.700 175.595 176.300 -0.007 0.000 1.486 51 M CA -0.414 54.894 55.300 0.013 0.000 1.209 51 M CB 0.245 32.849 32.600 0.007 0.000 1.714 51 M HN 0.029 nan 8.290 nan 0.000 0.459 52 V N 2.240 122.147 119.914 -0.012 0.000 2.680 52 V HA 0.446 4.566 4.120 -0.000 0.000 0.309 52 V C -0.916 175.140 176.094 -0.063 0.000 1.052 52 V CA -0.479 61.800 62.300 -0.034 0.000 0.908 52 V CB 2.312 34.123 31.823 -0.020 0.000 1.001 52 V HN 0.817 nan 8.190 nan 0.000 0.431 53 D N 2.532 122.885 120.400 -0.077 0.000 2.278 53 D HA 0.616 5.256 4.640 -0.000 0.000 0.245 53 D C -1.180 175.044 176.300 -0.127 0.000 1.052 53 D CA -0.089 53.849 54.000 -0.104 0.000 0.834 53 D CB 2.008 42.754 40.800 -0.089 0.000 1.194 53 D HN 0.234 nan 8.370 nan 0.000 0.481 54 V N 4.569 124.381 119.914 -0.171 0.000 2.525 54 V HA 0.461 4.581 4.120 -0.000 0.000 0.299 54 V C 0.465 176.419 176.094 -0.233 0.000 1.034 54 V CA -0.905 61.277 62.300 -0.196 0.000 0.863 54 V CB 1.623 33.317 31.823 -0.215 0.000 0.999 54 V HN 0.432 nan 8.190 nan 0.000 0.423 55 R N 2.834 123.202 120.500 -0.220 0.000 2.560 55 R HA 0.463 4.803 4.340 -0.000 0.000 0.270 55 R C 0.559 176.682 176.300 -0.294 0.000 1.074 55 R CA -0.771 55.192 56.100 -0.227 0.000 1.140 55 R CB 0.945 31.133 30.300 -0.187 0.000 1.073 55 R HN 0.825 nan 8.270 nan 0.000 0.527 56 R N 1.726 122.064 120.500 -0.270 0.000 2.643 56 R HA -0.048 4.292 4.340 -0.000 0.000 0.270 56 R C -0.561 175.509 176.300 -0.383 0.000 1.061 56 R CA -0.269 55.651 56.100 -0.300 0.000 1.107 56 R CB 0.230 30.404 30.300 -0.208 0.000 0.999 56 R HN 0.641 nan 8.270 nan 0.000 0.460 57 N N 0.442 118.841 118.700 -0.502 0.000 2.721 57 N HA -0.192 4.548 4.740 -0.000 0.000 0.249 57 N C -1.112 173.640 175.510 -1.263 0.000 1.072 57 N CA 1.709 54.319 53.050 -0.735 0.000 0.710 57 N CB -0.873 37.464 38.487 -0.250 0.000 0.993 57 N HN 0.650 nan 8.380 nan 0.000 0.547 58 M N -0.431 118.337 119.600 -1.388 0.000 2.683 58 M HA 0.301 4.780 4.480 -0.000 0.000 0.274 58 M C -0.688 175.227 176.300 -0.641 0.000 1.272 58 M CA -0.784 53.942 55.300 -0.956 0.000 0.833 58 M CB 2.527 34.864 32.600 -0.438 0.000 1.708 58 M HN 0.211 nan 8.290 nan 0.000 0.463 59 N N 0.492 119.067 118.700 -0.209 0.000 2.238 59 N HA 0.578 5.318 4.740 -0.000 0.000 0.302 59 N C -1.607 173.861 175.510 -0.070 0.000 1.072 59 N CA -0.973 52.046 53.050 -0.052 0.000 0.792 59 N CB 2.514 41.069 38.487 0.112 0.000 1.425 59 N HN 0.554 nan 8.380 nan 0.000 0.478 60 R N 1.397 121.860 120.500 -0.062 0.000 2.486 60 R HA 0.441 4.781 4.340 -0.000 0.000 0.286 60 R C -0.573 175.714 176.300 -0.020 0.000 0.999 60 R CA -0.541 55.527 56.100 -0.052 0.000 0.993 60 R CB 1.564 31.826 30.300 -0.064 0.000 1.084 60 R HN 0.629 nan 8.270 nan 0.000 0.487 61 M N 3.801 123.387 119.600 -0.023 0.000 2.181 61 M HA 0.386 4.866 4.480 -0.000 0.000 0.323 61 M C -0.978 175.311 176.300 -0.019 0.000 1.004 61 M CA -0.713 54.583 55.300 -0.006 0.000 0.941 61 M CB 1.729 34.323 32.600 -0.010 0.000 1.579 61 M HN 0.281 nan 8.290 nan 0.000 0.427 62 I N 3.794 124.365 120.570 0.002 0.000 2.355 62 I HA 0.315 4.485 4.170 -0.000 0.000 0.288 62 I C -0.259 175.807 176.117 -0.086 0.000 0.999 62 I CA -0.420 60.838 61.300 -0.070 0.000 1.163 62 I CB 1.040 39.012 38.000 -0.046 0.000 1.316 62 I HN 0.540 nan 8.210 nan 0.000 0.454 63 N N 5.807 124.398 118.700 -0.181 0.000 2.498 63 N HA 0.498 5.238 4.740 -0.000 0.000 0.287 63 N C -1.165 174.175 175.510 -0.282 0.000 1.097 63 N CA -0.184 52.808 53.050 -0.097 0.000 0.973 63 N CB 1.275 39.736 38.487 -0.043 0.000 1.153 63 N HN 0.281 nan 8.380 nan 0.000 0.472 64 F N 0.707 120.739 119.950 0.136 0.000 2.507 64 F HA 0.311 4.838 4.527 -0.000 0.000 0.328 64 F C 0.128 175.994 175.800 0.110 0.000 1.136 64 F CA -1.036 57.043 58.000 0.131 0.000 0.930 64 F CB 1.278 40.386 39.000 0.181 0.000 1.166 64 F HN 0.143 nan 8.300 nan 0.000 0.436 65 N N 4.583 123.416 118.700 0.221 0.000 2.406 65 N HA 0.235 4.975 4.740 -0.000 0.000 0.251 65 N C -0.419 175.179 175.510 0.147 0.000 1.069 65 N CA -0.248 52.893 53.050 0.151 0.000 0.947 65 N CB 0.852 39.394 38.487 0.091 0.000 1.111 65 N HN 0.408 nan 8.380 nan 0.000 0.497 66 M N 3.551 123.228 119.600 0.129 0.000 2.188 66 M HA 0.239 4.719 4.480 -0.000 0.000 0.354 66 M C -2.023 174.320 176.300 0.072 0.000 1.342 66 M CA -1.866 53.486 55.300 0.086 0.000 1.117 66 M CB 0.289 32.930 32.600 0.069 0.000 1.670 66 M HN 0.162 nan 8.290 nan 0.000 0.466 67 P HA 0.080 nan 4.420 nan 0.000 0.275 67 P C 0.441 177.774 177.300 0.055 0.000 1.227 67 P CA -0.069 63.064 63.100 0.055 0.000 0.781 67 P CB 1.011 32.740 31.700 0.048 0.000 0.906 68 E N 1.898 122.129 120.200 0.052 0.000 2.085 68 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 68 E C 0.132 176.768 176.600 0.060 0.000 0.994 68 E CA 1.295 57.728 56.400 0.055 0.000 0.801 68 E CB -0.073 29.654 29.700 0.045 0.000 0.743 68 E HN 0.533 nan 8.360 nan 0.000 0.453 69 D N 0.813 121.241 120.400 0.047 0.000 2.688 69 D HA 0.055 4.695 4.640 -0.000 0.000 0.228 69 D C -0.287 176.032 176.300 0.032 0.000 1.116 69 D CA 0.078 54.102 54.000 0.040 0.000 1.023 69 D CB -0.488 40.328 40.800 0.027 0.000 1.100 69 D HN 0.089 nan 8.370 nan 0.000 0.487 70 L N 0.846 122.098 121.223 0.048 0.000 2.265 70 L HA 0.292 4.632 4.340 -0.000 0.000 0.289 70 L C 0.786 177.586 176.870 -0.116 0.000 1.033 70 L CA -0.492 54.341 54.840 -0.012 0.000 0.814 70 L CB 1.784 43.856 42.059 0.021 0.000 1.203 70 L HN 0.161 nan 8.230 nan 0.000 0.423 71 T N 2.418 116.852 114.554 -0.199 0.000 2.862 71 T HA 0.620 4.970 4.350 -0.000 0.000 0.276 71 T C 0.320 174.673 174.700 -0.577 0.000 0.974 71 T CA -0.324 61.632 62.100 -0.240 0.000 0.966 71 T CB 1.278 70.088 68.868 -0.097 0.000 1.072 71 T HN 0.647 nan 8.240 nan 0.000 0.538 72 A N 0.521 123.159 122.820 -0.303 0.000 2.483 72 A HA 0.622 4.942 4.320 -0.000 0.000 0.238 72 A C 0.890 178.396 177.584 -0.130 0.000 1.070 72 A CA 0.490 52.439 52.037 -0.146 0.000 0.770 72 A CB -0.701 18.364 19.000 0.108 0.000 1.008 72 A HN 1.397 nan 8.150 nan 0.000 0.497 73 G N 0.732 109.493 108.800 -0.066 0.000 2.364 73 G HA2 0.383 4.343 3.960 -0.000 0.000 0.286 73 G HA3 0.383 4.343 3.960 -0.000 0.000 0.286 73 G C -1.649 173.099 174.900 -0.253 0.000 1.241 73 G CA -0.756 44.203 45.100 -0.235 0.000 0.887 73 G HN 0.679 nan 8.290 nan 0.000 0.484 74 N N 0.240 118.672 118.700 -0.446 0.000 2.446 74 N HA 0.627 5.367 4.740 -0.000 0.000 0.265 74 N C -1.717 173.485 175.510 -0.513 0.000 0.975 74 N CA -0.172 52.681 53.050 -0.329 0.000 0.928 74 N CB 1.343 39.701 38.487 -0.216 0.000 1.160 74 N HN 0.388 nan 8.380 nan 0.000 0.495 75 Y N 0.421 120.644 120.300 -0.129 0.000 2.446 75 Y HA 0.489 5.039 4.550 -0.000 0.000 0.345 75 Y C 0.524 176.310 175.900 -0.191 0.000 0.984 75 Y CA -0.659 57.346 58.100 -0.159 0.000 1.058 75 Y CB 2.273 40.638 38.460 -0.158 0.000 1.220 75 Y HN 0.176 nan 8.280 nan 0.000 0.455 76 K N 2.469 122.837 120.400 -0.055 0.000 2.512 76 K HA 0.709 5.029 4.320 -0.000 0.000 0.263 76 K C -2.054 174.433 176.600 -0.188 0.000 0.966 76 K CA -0.944 55.258 56.287 -0.142 0.000 0.851 76 K CB 2.855 35.281 32.500 -0.124 0.000 1.395 76 K HN 0.772 nan 8.250 nan 0.000 0.440 77 I N 1.174 121.604 120.570 -0.233 0.000 2.569 77 I HA 0.362 4.532 4.170 -0.000 0.000 0.290 77 I C -1.508 174.517 176.117 -0.153 0.000 1.088 77 I CA -0.171 61.004 61.300 -0.208 0.000 1.047 77 I CB 2.339 40.201 38.000 -0.230 0.000 1.237 77 I HN 0.507 nan 8.210 nan 0.000 0.421 78 T N 7.831 122.340 114.554 -0.075 0.000 2.824 78 T HA 0.608 4.958 4.350 -0.000 0.000 0.282 78 T C -0.557 174.168 174.700 0.040 0.000 0.993 78 T CA -0.256 61.819 62.100 -0.042 0.000 0.967 78 T CB 1.313 70.181 68.868 -0.000 0.000 0.960 78 T HN 0.310 nan 8.240 nan 0.000 0.441 79 I N 3.112 123.726 120.570 0.072 0.000 2.420 79 I HA 0.327 4.497 4.170 -0.000 0.000 0.282 79 I C -0.530 175.764 176.117 0.294 0.000 1.019 79 I CA -0.503 60.912 61.300 0.192 0.000 1.130 79 I CB 1.298 39.464 38.000 0.277 0.000 1.262 79 I HN 0.489 nan 8.210 nan 0.000 0.454 80 D N 5.346 125.896 120.400 0.250 0.000 2.308 80 D HA 0.315 4.954 4.640 -0.000 0.000 0.242 80 D C 0.209 176.672 176.300 0.271 0.000 1.059 80 D CA -0.346 53.836 54.000 0.302 0.000 0.830 80 D CB 2.595 43.534 40.800 0.232 0.000 1.161 80 D HN 0.633 nan 8.370 nan 0.000 0.494 81 G N 2.162 111.191 108.800 0.382 0.000 2.372 81 G HA2 0.171 4.131 3.960 -0.000 0.000 0.286 81 G HA3 0.171 4.131 3.960 -0.000 0.000 0.286 81 G C 0.163 175.225 174.900 0.270 0.000 1.153 81 G CA -0.232 45.103 45.100 0.393 0.000 0.985 81 G HN 0.333 nan 8.290 nan 0.000 0.429 82 Q N 1.377 121.276 119.800 0.166 0.000 2.260 82 Q HA 0.567 4.907 4.340 -0.000 0.000 0.238 82 Q C 0.555 176.619 176.000 0.107 0.000 0.948 82 Q CA -0.402 55.468 55.803 0.112 0.000 0.895 82 Q CB 1.521 30.297 28.738 0.063 0.000 1.218 82 Q HN 0.766 nan 8.270 nan 0.000 0.470 83 R N -0.521 120.027 120.500 0.080 0.000 4.055 83 R HA -0.184 4.156 4.340 -0.000 0.000 0.358 83 R C 0.315 176.673 176.300 0.098 0.000 0.241 83 R CA 0.447 56.588 56.100 0.068 0.000 1.167 83 R CB -1.502 28.824 30.300 0.042 0.000 1.098 83 R HN 0.901 nan 8.270 nan 0.000 0.514 84 G N 0.759 109.614 108.800 0.093 0.000 3.284 84 G HA2 0.365 4.325 3.960 -0.000 0.000 0.251 84 G HA3 0.365 4.325 3.960 -0.000 0.000 0.251 84 G C -0.875 174.141 174.900 0.194 0.000 0.913 84 G CA 0.222 45.384 45.100 0.103 0.000 1.947 84 G HN 0.337 nan 8.290 nan 0.000 0.635 85 F N 0.944 120.903 119.950 0.015 0.000 3.240 85 F HA 0.381 4.908 4.527 -0.000 0.000 0.370 85 F C -0.308 175.536 175.800 0.072 0.000 1.271 85 F CA -0.843 57.174 58.000 0.028 0.000 1.224 85 F CB 0.883 39.881 39.000 -0.002 0.000 1.624 85 F HN -0.010 nan 8.300 nan 0.000 0.658 86 S N 6.038 121.557 115.700 -0.302 0.000 2.505 86 S HA 0.603 5.073 4.470 -0.000 0.000 0.276 86 S C -1.142 173.325 174.600 -0.221 0.000 1.274 86 S CA 0.065 58.158 58.200 -0.178 0.000 1.053 86 S CB 0.462 63.580 63.200 -0.137 0.000 0.919 86 S HN 0.520 nan 8.310 nan 0.000 0.490 87 F N 3.358 123.229 119.950 -0.132 0.000 2.767 87 F HA 0.267 4.794 4.527 -0.000 0.000 0.341 87 F C -1.110 174.754 175.800 0.108 0.000 1.192 87 F CA -0.505 57.478 58.000 -0.029 0.000 1.127 87 F CB 1.105 40.172 39.000 0.112 0.000 1.388 87 F HN 0.689 nan 8.300 nan 0.000 0.574 88 H N 4.729 123.639 119.070 -0.265 0.000 2.970 88 H HA 0.641 5.197 4.556 -0.000 0.000 0.315 88 H C -1.624 173.540 175.328 -0.272 0.000 0.992 88 H CA -0.448 55.523 56.048 -0.130 0.000 1.363 88 H CB 1.024 30.740 29.762 -0.076 0.000 1.532 88 H HN 0.493 nan 8.280 nan 0.000 0.514 89 K N 2.594 122.687 120.400 -0.511 0.000 2.375 89 K HA 0.446 4.766 4.320 -0.000 0.000 0.249 89 K C -1.178 175.213 176.600 -0.348 0.000 0.942 89 K CA -0.810 55.248 56.287 -0.382 0.000 0.806 89 K CB 2.088 34.515 32.500 -0.122 0.000 1.227 89 K HN 0.677 nan 8.250 nan 0.000 0.430 90 E N 0.783 120.809 120.200 -0.290 0.000 2.343 90 E HA 0.762 5.112 4.350 -0.000 0.000 0.278 90 E C -1.870 174.547 176.600 -0.304 0.000 0.910 90 E CA -0.946 55.289 56.400 -0.275 0.000 0.757 90 E CB 1.688 31.243 29.700 -0.242 0.000 1.218 90 E HN 0.591 nan 8.360 nan 0.000 0.435 91 A N 3.243 125.814 122.820 -0.415 0.000 2.455 91 A HA 0.525 4.845 4.320 -0.000 0.000 0.300 91 A C -1.373 175.949 177.584 -0.437 0.000 1.040 91 A CA -0.871 50.815 52.037 -0.586 0.000 0.697 91 A CB 1.277 19.451 19.000 -1.376 0.000 1.265 91 A HN 0.623 nan 8.150 nan 0.000 0.407 92 E N 1.314 121.307 120.200 -0.344 0.000 2.338 92 E HA 0.498 4.848 4.350 -0.000 0.000 0.272 92 E C -1.008 175.407 176.600 -0.308 0.000 1.029 92 E CA 0.190 56.432 56.400 -0.264 0.000 0.872 92 E CB 0.714 30.289 29.700 -0.208 0.000 1.015 92 E HN 0.460 nan 8.360 nan 0.000 0.417 93 L N 2.860 123.941 121.223 -0.237 0.000 2.342 93 L HA 0.358 4.698 4.340 -0.000 0.000 0.276 93 L C -0.978 175.778 176.870 -0.189 0.000 0.997 93 L CA -1.237 53.453 54.840 -0.249 0.000 0.838 93 L CB 1.478 43.392 42.059 -0.243 0.000 1.224 93 L HN 0.349 nan 8.230 nan 0.000 0.416 94 V N 3.251 122.957 119.914 -0.346 0.000 2.408 94 V HA 0.091 4.211 4.120 -0.000 0.000 0.267 94 V C -0.205 175.842 176.094 -0.078 0.000 1.047 94 V CA -0.458 61.701 62.300 -0.234 0.000 0.937 94 V CB 0.634 32.197 31.823 -0.435 0.000 0.999 94 V HN 0.475 nan 8.190 nan 0.000 0.472 95 Y N 6.553 126.806 120.300 -0.079 0.000 2.425 95 Y HA 0.489 5.039 4.550 -0.000 0.000 0.331 95 Y C -0.342 175.579 175.900 0.035 0.000 1.157 95 Y CA -0.319 57.722 58.100 -0.097 0.000 1.372 95 Y CB 0.588 38.986 38.460 -0.103 0.000 1.253 95 Y HN 0.512 nan 8.280 nan 0.000 0.536 96 L N 6.146 126.955 121.223 -0.690 0.000 2.333 96 L HA 0.308 4.648 4.340 -0.000 0.000 0.280 96 L C 0.860 177.189 176.870 -0.902 0.000 1.004 96 L CA -0.454 54.058 54.840 -0.547 0.000 0.820 96 L CB 1.920 43.875 42.059 -0.172 0.000 1.247 96 L HN 0.778 nan 8.230 nan 0.000 0.416 97 S N 0.912 116.285 115.700 -0.545 0.000 2.362 97 S HA 0.076 4.546 4.470 -0.000 0.000 0.221 97 S C 0.700 175.224 174.600 -0.127 0.000 1.032 97 S CA 0.811 58.852 58.200 -0.264 0.000 0.973 97 S CB 0.076 63.281 63.200 0.007 0.000 0.849 97 S HN 0.427 nan 8.310 nan 0.000 0.465 98 K N 0.874 121.218 120.400 -0.093 0.000 2.185 98 K HA 0.435 4.755 4.320 -0.000 0.000 0.240 98 K C 0.625 177.197 176.600 -0.046 0.000 0.983 98 K CA -0.318 55.944 56.287 -0.042 0.000 0.873 98 K CB 1.444 33.936 32.500 -0.014 0.000 1.118 98 K HN 0.038 nan 8.250 nan 0.000 0.441 99 S N 0.571 116.256 115.700 -0.025 0.000 2.540 99 S HA 0.192 4.662 4.470 -0.000 0.000 0.218 99 S C 0.648 175.236 174.600 -0.020 0.000 0.977 99 S CA -0.395 57.792 58.200 -0.021 0.000 0.918 99 S CB -0.177 63.015 63.200 -0.012 0.000 0.806 99 S HN 0.485 nan 8.310 nan 0.000 0.496 100 I N 0.045 120.605 120.570 -0.017 0.000 2.910 100 I HA 0.801 4.971 4.170 -0.000 0.000 0.310 100 I C -0.554 175.552 176.117 -0.018 0.000 1.043 100 I CA -1.023 60.268 61.300 -0.016 0.000 1.053 100 I CB 2.284 40.281 38.000 -0.005 0.000 1.242 100 I HN 0.109 nan 8.210 nan 0.000 0.452 101 S N 1.374 117.060 115.700 -0.023 0.000 2.570 101 S HA 0.916 5.386 4.470 -0.000 0.000 0.286 101 S C -0.457 174.139 174.600 -0.007 0.000 1.099 101 S CA -0.637 57.549 58.200 -0.024 0.000 0.913 101 S CB 1.659 64.822 63.200 -0.061 0.000 1.085 101 S HN 1.196 nan 8.310 nan 0.000 0.480 102 G N 0.319 109.125 108.800 0.009 0.000 2.524 102 G HA2 0.714 4.674 3.960 -0.000 0.000 0.310 102 G HA3 0.714 4.674 3.960 -0.000 0.000 0.310 102 G C -1.657 173.273 174.900 0.050 0.000 1.279 102 G CA -0.916 44.206 45.100 0.037 0.000 0.974 102 G HN 0.721 nan 8.290 nan 0.000 0.484 103 L N 0.630 121.902 121.223 0.083 0.000 2.422 103 L HA 0.593 4.933 4.340 -0.000 0.000 0.264 103 L C -0.708 176.283 176.870 0.203 0.000 0.984 103 L CA -0.659 54.264 54.840 0.139 0.000 0.819 103 L CB 2.716 44.853 42.059 0.130 0.000 1.330 103 L HN 0.360 nan 8.230 nan 0.000 0.410 104 I N 1.958 122.678 120.570 0.249 0.000 2.465 104 I HA 0.387 4.557 4.170 -0.000 0.000 0.291 104 I C -0.601 175.664 176.117 0.246 0.000 1.014 104 I CA -0.378 61.068 61.300 0.243 0.000 1.093 104 I CB 1.974 40.094 38.000 0.200 0.000 1.267 104 I HN 0.579 nan 8.210 nan 0.000 0.431 105 Q N 5.849 125.718 119.800 0.115 0.000 2.322 105 Q HA 0.607 4.947 4.340 -0.000 0.000 0.265 105 Q C -1.746 174.373 176.000 0.199 0.000 0.985 105 Q CA -0.653 55.064 55.803 -0.144 0.000 0.849 105 Q CB 2.166 30.476 28.738 -0.714 0.000 1.274 105 Q HN 0.524 nan 8.270 nan 0.000 0.449 106 V N 3.944 123.973 119.914 0.192 0.000 2.495 106 V HA 0.108 4.228 4.120 -0.000 0.000 0.298 106 V C 0.503 176.692 176.094 0.158 0.000 1.031 106 V CA -0.646 61.752 62.300 0.162 0.000 0.871 106 V CB 1.555 33.489 31.823 0.185 0.000 0.988 106 V HN 0.966 nan 8.190 nan 0.000 0.432 107 D N 2.414 122.711 120.400 -0.172 0.000 2.263 107 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 107 D C 0.371 176.745 176.300 0.123 0.000 0.971 107 D CA 1.133 55.045 54.000 -0.147 0.000 0.867 107 D CB 0.307 40.655 40.800 -0.752 0.000 0.929 107 D HN 0.601 nan 8.370 nan 0.000 0.492 108 K N -1.068 119.324 120.400 -0.013 0.000 2.532 108 K HA 0.316 4.636 4.320 -0.000 0.000 0.265 108 K C -2.350 174.070 176.600 -0.301 0.000 0.948 108 K CA -1.739 54.378 56.287 -0.283 0.000 0.842 108 K CB 2.933 34.923 32.500 -0.850 0.000 1.392 108 K HN -0.297 nan 8.250 nan 0.000 0.436 109 P HA 0.019 nan 4.420 nan 0.000 0.222 109 P C -0.137 177.108 177.300 -0.092 0.000 1.157 109 P CA 0.374 63.429 63.100 -0.075 0.000 0.816 109 P CB 0.487 32.166 31.700 -0.035 0.000 0.813 110 V N 0.257 119.999 119.914 -0.288 0.000 2.604 110 V HA 0.413 4.533 4.120 -0.000 0.000 0.305 110 V C -0.556 175.264 176.094 -0.457 0.000 1.043 110 V CA -0.582 61.609 62.300 -0.181 0.000 0.888 110 V CB 1.710 33.482 31.823 -0.085 0.000 0.995 110 V HN -0.176 nan 8.190 nan 0.000 0.429 111 F N 2.659 122.619 119.950 0.017 0.000 2.579 111 F HA 0.698 5.225 4.527 -0.000 0.000 0.324 111 F C 0.260 176.061 175.800 0.002 0.000 1.058 111 F CA -0.869 57.114 58.000 -0.029 0.000 0.944 111 F CB 1.954 40.893 39.000 -0.103 0.000 1.245 111 F HN 0.449 nan 8.300 nan 0.000 0.477 112 K N 0.577 121.092 120.400 0.192 0.000 2.221 112 K HA 0.595 4.915 4.320 -0.000 0.000 0.243 112 K C -2.661 174.014 176.600 0.125 0.000 0.968 112 K CA -1.766 54.612 56.287 0.152 0.000 0.846 112 K CB 1.612 34.208 32.500 0.159 0.000 1.141 112 K HN 0.089 nan 8.250 nan 0.000 0.434 113 P HA -0.283 nan 4.420 nan 0.000 0.219 113 P C 1.286 178.625 177.300 0.065 0.000 1.158 113 P CA 2.381 65.534 63.100 0.087 0.000 0.895 113 P CB -0.168 31.591 31.700 0.099 0.000 0.792 114 G N -0.708 108.135 108.800 0.071 0.000 2.442 114 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.219 114 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.219 114 G C 0.302 175.227 174.900 0.040 0.000 1.141 114 G CA 0.968 46.102 45.100 0.057 0.000 0.763 114 G HN 0.396 nan 8.290 nan 0.000 0.554 115 D N -1.032 119.397 120.400 0.048 0.000 2.466 115 D HA 0.495 5.134 4.640 -0.000 0.000 0.262 115 D C -0.477 175.802 176.300 -0.034 0.000 1.177 115 D CA -0.579 53.445 54.000 0.040 0.000 1.035 115 D CB 0.447 41.307 40.800 0.101 0.000 1.105 115 D HN -0.115 nan 8.370 nan 0.000 0.551 116 T N -0.005 114.522 114.554 -0.045 0.000 2.771 116 T HA 0.407 4.757 4.350 -0.000 0.000 0.281 116 T C -0.364 174.177 174.700 -0.265 0.000 0.982 116 T CA -0.771 61.244 62.100 -0.141 0.000 0.978 116 T CB 1.108 69.921 68.868 -0.092 0.000 0.930 116 T HN 0.227 nan 8.240 nan 0.000 0.447 117 V N 5.624 125.213 119.914 -0.541 0.000 2.432 117 V HA 0.243 4.363 4.120 -0.000 0.000 0.271 117 V C 0.392 176.259 176.094 -0.379 0.000 1.046 117 V CA -0.707 61.113 62.300 -0.800 0.000 0.945 117 V CB 0.288 31.330 31.823 -1.302 0.000 0.992 117 V HN 0.771 nan 8.190 nan 0.000 0.471 118 N N 5.328 123.778 118.700 -0.416 0.000 2.421 118 N HA 0.651 5.391 4.740 -0.000 0.000 0.285 118 N C -0.802 174.476 175.510 -0.386 0.000 1.027 118 N CA -0.188 52.551 53.050 -0.519 0.000 0.918 118 N CB 2.373 40.255 38.487 -1.008 0.000 1.152 118 N HN 0.639 nan 8.380 nan 0.000 0.485 119 F N -0.804 119.041 119.950 -0.175 0.000 2.626 119 F HA 0.646 5.173 4.527 -0.000 0.000 0.311 119 F C -0.823 175.073 175.800 0.161 0.000 1.088 119 F CA -1.183 56.828 58.000 0.019 0.000 0.949 119 F CB 1.535 40.513 39.000 -0.038 0.000 1.322 119 F HN 0.089 nan 8.300 nan 0.000 0.461 120 R N 1.583 122.320 120.500 0.395 0.000 2.686 120 R HA 0.731 5.071 4.340 -0.000 0.000 0.283 120 R C -1.916 174.563 176.300 0.299 0.000 0.978 120 R CA -1.286 54.947 56.100 0.223 0.000 0.897 120 R CB 2.762 33.179 30.300 0.194 0.000 1.192 120 R HN 0.613 nan 8.270 nan 0.000 0.457 121 V N 4.874 124.953 119.914 0.275 0.000 2.357 121 V HA 0.371 4.491 4.120 -0.000 0.000 0.284 121 V C 0.011 176.206 176.094 0.168 0.000 1.018 121 V CA -0.708 61.753 62.300 0.267 0.000 0.841 121 V CB 1.540 33.570 31.823 0.345 0.000 0.991 121 V HN 0.569 nan 8.190 nan 0.000 0.437 122 I N 5.799 126.443 120.570 0.124 0.000 2.315 122 I HA 0.434 4.604 4.170 -0.000 0.000 0.291 122 I C -0.267 175.877 176.117 0.045 0.000 1.006 122 I CA -0.447 60.887 61.300 0.056 0.000 1.265 122 I CB 1.575 39.576 38.000 0.003 0.000 1.387 122 I HN 0.242 nan 8.210 nan 0.000 0.475 123 V N 7.841 127.771 119.914 0.027 0.000 2.376 123 V HA 0.490 4.610 4.120 -0.000 0.000 0.287 123 V C -0.063 176.030 176.094 -0.002 0.000 1.015 123 V CA -0.471 61.840 62.300 0.018 0.000 0.834 123 V CB 1.909 33.749 31.823 0.029 0.000 1.001 123 V HN 0.486 nan 8.190 nan 0.000 0.428 124 L N 4.295 125.511 121.223 -0.012 0.000 2.362 124 L HA 0.649 4.989 4.340 -0.000 0.000 0.271 124 L C -0.054 176.801 176.870 -0.026 0.000 1.002 124 L CA -0.792 54.035 54.840 -0.021 0.000 0.818 124 L CB 2.244 44.286 42.059 -0.028 0.000 1.298 124 L HN 0.714 nan 8.230 nan 0.000 0.420 125 D N -0.807 119.578 120.400 -0.026 0.000 2.440 125 D HA 0.063 4.703 4.640 -0.000 0.000 0.269 125 D C 1.192 177.468 176.300 -0.039 0.000 1.249 125 D CA 0.092 54.076 54.000 -0.028 0.000 1.055 125 D CB 0.158 40.945 40.800 -0.022 0.000 1.104 125 D HN 0.667 nan 8.370 nan 0.000 0.561 126 T N -3.217 111.316 114.554 -0.035 0.000 2.849 126 T HA -0.202 4.148 4.350 -0.000 0.000 0.270 126 T C 1.392 176.065 174.700 -0.046 0.000 1.066 126 T CA 1.501 63.577 62.100 -0.040 0.000 1.130 126 T CB -0.438 68.417 68.868 -0.023 0.000 0.864 126 T HN 0.575 nan 8.240 nan 0.000 0.481 127 E N 0.631 120.807 120.200 -0.040 0.000 2.489 127 E HA 0.263 4.613 4.350 -0.000 0.000 0.193 127 E C 0.089 176.663 176.600 -0.043 0.000 1.057 127 E CA -0.233 56.143 56.400 -0.041 0.000 0.866 127 E CB -0.410 29.269 29.700 -0.035 0.000 0.916 127 E HN 0.514 nan 8.360 nan 0.000 0.500 128 L N 0.387 121.581 121.223 -0.048 0.000 3.634 128 L HA -0.305 4.035 4.340 -0.000 0.000 0.423 128 L C -0.414 176.452 176.870 -0.006 0.000 1.253 128 L CA 0.823 55.639 54.840 -0.038 0.000 0.885 128 L CB -1.941 40.081 42.059 -0.061 0.000 1.789 128 L HN 0.189 nan 8.230 nan 0.000 0.904 129 K N -1.772 118.621 120.400 -0.013 0.000 2.433 129 K HA 0.860 5.180 4.320 -0.000 0.000 0.252 129 K C -2.955 173.634 176.600 -0.019 0.000 1.015 129 K CA -2.295 53.987 56.287 -0.008 0.000 0.860 129 K CB 1.429 33.917 32.500 -0.019 0.000 1.359 129 K HN -0.304 nan 8.250 nan 0.000 0.452 130 P HA 0.140 nan 4.420 nan 0.000 0.267 130 P C -2.478 174.808 177.300 -0.024 0.000 1.205 130 P CA -0.858 62.224 63.100 -0.029 0.000 0.765 130 P CB -0.225 31.448 31.700 -0.046 0.000 0.828 131 P HA 0.032 nan 4.420 nan 0.000 0.268 131 P C 0.518 177.812 177.300 -0.010 0.000 1.204 131 P CA 0.212 63.304 63.100 -0.012 0.000 0.768 131 P CB 0.524 32.221 31.700 -0.004 0.000 0.842 132 A N 4.425 127.238 122.820 -0.012 0.000 1.969 132 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 132 A C 2.041 179.625 177.584 -0.001 0.000 1.169 132 A CA 1.207 53.238 52.037 -0.009 0.000 0.635 132 A CB -0.557 18.435 19.000 -0.013 0.000 0.810 132 A HN 0.460 nan 8.150 nan 0.000 0.445 133 R N -0.586 119.916 120.500 0.002 0.000 2.062 133 R HA 0.036 4.376 4.340 -0.000 0.000 0.226 133 R C 0.003 176.310 176.300 0.012 0.000 1.125 133 R CA 0.840 56.945 56.100 0.008 0.000 0.966 133 R CB -0.293 30.012 30.300 0.009 0.000 0.861 133 R HN 0.306 nan 8.270 nan 0.000 0.433 134 V N 2.749 122.670 119.914 0.012 0.000 2.405 134 V HA 0.032 4.152 4.120 -0.000 0.000 0.264 134 V C 1.100 177.205 176.094 0.018 0.000 1.048 134 V CA 0.336 62.647 62.300 0.017 0.000 0.966 134 V CB 1.171 33.005 31.823 0.017 0.000 1.015 134 V HN 0.235 nan 8.190 nan 0.000 0.477 135 K N 2.900 123.313 120.400 0.022 0.000 2.308 135 K HA 0.138 4.458 4.320 -0.000 0.000 0.197 135 K C 0.746 177.362 176.600 0.026 0.000 1.049 135 K CA 0.751 57.054 56.287 0.026 0.000 0.991 135 K CB 0.519 33.035 32.500 0.027 0.000 0.836 135 K HN 0.811 nan 8.250 nan 0.000 0.500 136 S N -0.711 114.999 115.700 0.017 0.000 2.596 136 S HA 0.530 5.000 4.470 -0.000 0.000 0.270 136 S C -0.632 173.963 174.600 -0.008 0.000 1.155 136 S CA -0.742 57.453 58.200 -0.008 0.000 0.827 136 S CB 1.696 64.885 63.200 -0.018 0.000 1.130 136 S HN -0.022 nan 8.310 nan 0.000 0.467 137 V N -1.328 118.552 119.914 -0.057 0.000 3.155 137 V HA 0.737 4.857 4.120 -0.000 0.000 0.313 137 V C -1.450 174.644 176.094 -0.000 0.000 1.162 137 V CA -1.125 61.171 62.300 -0.007 0.000 1.048 137 V CB 1.442 33.266 31.823 0.002 0.000 1.092 137 V HN 1.042 nan 8.190 nan 0.000 0.447 138 Y N 1.053 121.341 120.300 -0.020 0.000 2.402 138 Y HA 0.710 5.260 4.550 -0.000 0.000 0.332 138 Y C -0.330 175.607 175.900 0.062 0.000 0.960 138 Y CA -0.633 57.482 58.100 0.024 0.000 1.228 138 Y CB 1.630 40.112 38.460 0.036 0.000 1.120 138 Y HN 0.771 nan 8.280 nan 0.000 0.491 139 V N 6.428 126.468 119.914 0.210 0.000 2.495 139 V HA 0.750 4.870 4.120 -0.000 0.000 0.298 139 V C -0.790 175.567 176.094 0.438 0.000 1.031 139 V CA 0.064 62.548 62.300 0.307 0.000 0.871 139 V CB 1.734 33.695 31.823 0.231 0.000 0.988 139 V HN 0.815 nan 8.190 nan 0.000 0.432 140 T N 5.385 120.161 114.554 0.368 0.000 2.861 140 T HA 0.706 5.056 4.350 -0.000 0.000 0.287 140 T C -0.739 174.116 174.700 0.259 0.000 1.003 140 T CA -0.607 61.685 62.100 0.321 0.000 0.977 140 T CB 1.351 70.384 68.868 0.275 0.000 0.996 140 T HN 0.631 nan 8.240 nan 0.000 0.448 141 I N 3.990 124.724 120.570 0.274 0.000 2.404 141 I HA 0.582 4.752 4.170 -0.000 0.000 0.293 141 I C 0.332 176.561 176.117 0.188 0.000 0.992 141 I CA -1.118 60.343 61.300 0.268 0.000 1.149 141 I CB 1.571 39.812 38.000 0.401 0.000 1.315 141 I HN 0.713 nan 8.210 nan 0.000 0.446 142 R N 3.011 123.563 120.500 0.088 0.000 2.795 142 R HA 0.539 4.879 4.340 -0.000 0.000 0.275 142 R C -1.495 174.551 176.300 -0.423 0.000 0.981 142 R CA -0.826 55.210 56.100 -0.106 0.000 0.917 142 R CB 1.858 32.098 30.300 -0.100 0.000 1.202 142 R HN 0.557 nan 8.270 nan 0.000 0.469 143 D N 1.280 121.196 120.400 -0.806 0.000 2.414 143 D HA 0.188 4.828 4.640 -0.000 0.000 0.251 143 D C -1.755 174.001 176.300 -0.907 0.000 1.252 143 D CA -2.068 51.003 54.000 -1.548 0.000 0.999 143 D CB 0.080 40.038 40.800 -1.404 0.000 1.093 143 D HN 0.217 nan 8.370 nan 0.000 0.515 144 P HA -0.138 nan 4.420 nan 0.000 0.223 144 P C 0.406 177.523 177.300 -0.305 0.000 1.140 144 P CA 1.418 64.264 63.100 -0.422 0.000 0.783 144 P CB 0.074 31.601 31.700 -0.290 0.000 0.759 145 Q N -1.682 117.914 119.800 -0.339 0.000 2.157 145 Q HA 0.240 4.580 4.340 -0.000 0.000 0.229 145 Q C 0.024 175.882 176.000 -0.236 0.000 0.827 145 Q CA -0.326 55.326 55.803 -0.252 0.000 1.055 145 Q CB 0.487 29.081 28.738 -0.240 0.000 1.157 145 Q HN -0.008 nan 8.270 nan 0.000 0.482 146 R N -0.197 120.149 120.500 -0.257 0.000 3.936 146 R HA -0.122 4.218 4.340 -0.000 0.000 0.366 146 R C -0.815 175.385 176.300 -0.167 0.000 1.158 146 R CA 0.293 56.279 56.100 -0.190 0.000 0.969 146 R CB -2.075 28.145 30.300 -0.133 0.000 1.504 146 R HN 0.347 nan 8.270 nan 0.000 0.538 147 N N 1.323 119.894 118.700 -0.215 0.000 2.497 147 N HA 0.116 4.856 4.740 -0.000 0.000 0.268 147 N C 0.322 175.770 175.510 -0.104 0.000 1.171 147 N CA 0.058 53.011 53.050 -0.161 0.000 0.948 147 N CB 1.172 39.527 38.487 -0.219 0.000 1.069 147 N HN -0.114 nan 8.380 nan 0.000 0.460 148 V N 3.780 123.692 119.914 -0.004 0.000 2.446 148 V HA 0.046 4.166 4.120 -0.000 0.000 0.276 148 V C 1.528 177.708 176.094 0.142 0.000 1.030 148 V CA 0.172 62.508 62.300 0.061 0.000 1.033 148 V CB 0.134 32.007 31.823 0.083 0.000 0.993 148 V HN 0.612 nan 8.190 nan 0.000 0.477 149 I N 3.494 124.147 120.570 0.138 0.000 3.172 149 I HA 0.249 4.419 4.170 -0.000 0.000 0.278 149 I C 1.078 177.291 176.117 0.160 0.000 1.174 149 I CA 0.406 61.842 61.300 0.226 0.000 1.445 149 I CB 0.399 38.555 38.000 0.261 0.000 1.175 149 I HN 0.492 nan 8.210 nan 0.000 0.447 150 R N 0.817 121.367 120.500 0.084 0.000 2.533 150 R HA 0.419 4.759 4.340 -0.000 0.000 0.288 150 R C -1.292 174.892 176.300 -0.194 0.000 1.039 150 R CA -0.492 55.517 56.100 -0.152 0.000 0.909 150 R CB 1.365 31.534 30.300 -0.219 0.000 1.195 150 R HN -0.175 nan 8.270 nan 0.000 0.438 151 K N 2.996 123.194 120.400 -0.337 0.000 2.221 151 K HA 0.418 4.738 4.320 -0.000 0.000 0.258 151 K C -1.131 175.216 176.600 -0.422 0.000 0.944 151 K CA -0.600 55.566 56.287 -0.203 0.000 0.823 151 K CB 1.407 33.839 32.500 -0.114 0.000 1.113 151 K HN 0.467 nan 8.250 nan 0.000 0.431 152 W N 2.939 124.165 121.300 -0.124 0.000 2.413 152 W HA 0.068 4.728 4.660 -0.000 0.000 0.308 152 W C 1.145 177.342 176.519 -0.536 0.000 0.997 152 W CA -0.642 56.574 57.345 -0.214 0.000 1.447 152 W CB 1.511 30.889 29.460 -0.138 0.000 1.263 152 W HN 0.789 nan 8.180 nan 0.000 0.416 153 S N 0.870 116.302 115.700 -0.446 0.000 2.382 153 S HA -0.137 4.333 4.470 -0.000 0.000 0.228 153 S C 0.964 175.311 174.600 -0.421 0.000 1.027 153 S CA 1.611 59.324 58.200 -0.811 0.000 0.991 153 S CB -0.041 62.947 63.200 -0.355 0.000 0.823 153 S HN 0.330 nan 8.310 nan 0.000 0.469 154 T N 0.916 115.355 114.554 -0.192 0.000 3.418 154 T HA 0.642 4.992 4.350 -0.000 0.000 0.315 154 T C -0.623 174.004 174.700 -0.122 0.000 1.447 154 T CA -0.244 61.795 62.100 -0.101 0.000 1.641 154 T CB 0.067 68.915 68.868 -0.034 0.000 0.904 154 T HN 0.502 nan 8.240 nan 0.000 0.640 155 A N 4.188 126.840 122.820 -0.281 0.000 2.343 155 A HA 0.502 4.822 4.320 -0.000 0.000 0.305 155 A C 0.480 177.815 177.584 -0.415 0.000 1.308 155 A CA -0.424 51.220 52.037 -0.655 0.000 0.949 155 A CB 0.062 18.120 19.000 -1.570 0.000 1.148 155 A HN 0.737 nan 8.150 nan 0.000 0.545 156 K N 1.670 122.016 120.400 -0.089 0.000 2.401 156 K HA 0.197 4.517 4.320 -0.000 0.000 0.278 156 K C -0.610 176.088 176.600 0.163 0.000 1.018 156 K CA -0.271 56.052 56.287 0.059 0.000 0.981 156 K CB 0.403 32.966 32.500 0.105 0.000 0.933 156 K HN 0.463 nan 8.250 nan 0.000 0.477 157 L N 3.808 125.101 121.223 0.115 0.000 2.305 157 L HA 0.158 4.498 4.340 -0.000 0.000 0.281 157 L C -0.588 176.379 176.870 0.163 0.000 1.085 157 L CA -0.033 54.884 54.840 0.128 0.000 0.813 157 L CB 0.104 42.200 42.059 0.061 0.000 1.157 157 L HN 0.440 nan 8.230 nan 0.000 0.436 158 Y N 3.603 123.893 120.300 -0.016 0.000 2.376 158 Y HA 0.547 5.097 4.550 -0.000 0.000 0.326 158 Y C 0.608 176.434 175.900 -0.122 0.000 0.970 158 Y CA -0.882 57.192 58.100 -0.044 0.000 1.248 158 Y CB 1.017 39.460 38.460 -0.027 0.000 1.117 158 Y HN 0.790 nan 8.280 nan 0.000 0.476 159 A N 4.028 126.602 122.820 -0.409 0.000 2.822 159 A HA -0.013 4.307 4.320 -0.000 0.000 0.287 159 A C 1.714 179.153 177.584 -0.242 0.000 1.479 159 A CA 1.583 53.400 52.037 -0.367 0.000 0.779 159 A CB -2.094 16.606 19.000 -0.499 0.000 1.022 159 A HN 2.450 nan 8.150 nan 0.000 0.532 160 G N -4.013 104.704 108.800 -0.138 0.000 2.195 160 G HA2 0.004 3.964 3.960 -0.000 0.000 0.246 160 G HA3 0.004 3.964 3.960 -0.000 0.000 0.246 160 G C 0.353 175.217 174.900 -0.060 0.000 0.984 160 G CA 0.455 45.511 45.100 -0.074 0.000 0.633 160 G HN 1.881 nan 8.290 nan 0.000 0.525 161 V N 0.842 120.672 119.914 -0.140 0.000 2.483 161 V HA 0.753 4.873 4.120 -0.000 0.000 0.295 161 V C -0.365 175.752 176.094 0.039 0.000 1.035 161 V CA -0.758 61.472 62.300 -0.117 0.000 0.896 161 V CB 1.722 33.275 31.823 -0.450 0.000 0.986 161 V HN 0.481 nan 8.190 nan 0.000 0.447 162 F N 3.721 123.640 119.950 -0.053 0.000 2.493 162 F HA 0.659 5.186 4.527 -0.000 0.000 0.329 162 F C -0.279 175.452 175.800 -0.115 0.000 1.126 162 F CA -0.416 57.544 58.000 -0.067 0.000 0.937 162 F CB 1.448 40.413 39.000 -0.058 0.000 1.146 162 F HN 0.625 nan 8.300 nan 0.000 0.442 163 E N 4.509 124.105 120.200 -1.006 0.000 2.222 163 E HA 0.649 4.998 4.350 -0.000 0.000 0.267 163 E C -1.545 174.245 176.600 -1.351 0.000 0.884 163 E CA -0.492 55.349 56.400 -0.931 0.000 0.764 163 E CB 1.904 31.383 29.700 -0.369 0.000 1.169 163 E HN 0.724 nan 8.360 nan 0.000 0.413 164 S N 2.163 117.013 115.700 -1.418 0.000 2.703 164 S HA 0.399 4.869 4.470 -0.000 0.000 0.273 164 S C -2.184 171.853 174.600 -0.939 0.000 1.178 164 S CA -0.616 56.934 58.200 -1.083 0.000 0.838 164 S CB 1.099 63.618 63.200 -1.134 0.000 1.178 164 S HN 0.697 nan 8.310 nan 0.000 0.494 165 D N 0.246 120.475 120.400 -0.286 0.000 2.552 165 D HA 0.671 5.311 4.640 -0.000 0.000 0.239 165 D C -1.346 175.109 176.300 0.258 0.000 1.139 165 D CA -0.577 53.391 54.000 -0.055 0.000 0.914 165 D CB 1.159 41.900 40.800 -0.098 0.000 1.461 165 D HN 0.472 nan 8.370 nan 0.000 0.462 166 L N -0.256 121.061 121.223 0.157 0.000 2.409 166 L HA 0.447 4.787 4.340 -0.000 0.000 0.272 166 L C -1.086 175.770 176.870 -0.024 0.000 0.980 166 L CA -0.438 54.492 54.840 0.149 0.000 0.826 166 L CB 1.961 44.148 42.059 0.213 0.000 1.268 166 L HN 0.591 nan 8.230 nan 0.000 0.407 167 Q N 4.017 123.826 119.800 0.015 0.000 2.288 167 Q HA 0.471 4.811 4.340 -0.000 0.000 0.258 167 Q C -0.825 175.155 176.000 -0.034 0.000 0.957 167 Q CA -0.257 55.534 55.803 -0.021 0.000 0.919 167 Q CB 0.858 29.606 28.738 0.018 0.000 1.185 167 Q HN 0.735 nan 8.270 nan 0.000 0.408 168 I N 3.110 123.624 120.570 -0.093 0.000 2.474 168 I HA 0.237 4.407 4.170 -0.000 0.000 0.287 168 I C 0.368 176.491 176.117 0.009 0.000 1.048 168 I CA -0.503 60.742 61.300 -0.091 0.000 1.383 168 I CB 1.326 39.218 38.000 -0.180 0.000 1.412 168 I HN 0.701 nan 8.210 nan 0.000 0.531 169 A N 8.019 130.878 122.820 0.065 0.000 2.386 169 A HA 0.294 4.614 4.320 -0.000 0.000 0.248 169 A C -1.666 175.962 177.584 0.073 0.000 1.082 169 A CA -1.056 51.031 52.037 0.083 0.000 0.789 169 A CB -0.189 18.878 19.000 0.112 0.000 1.025 169 A HN 0.560 nan 8.150 nan 0.000 0.490 170 P HA -0.067 nan 4.420 nan 0.000 0.217 170 P C 0.334 177.676 177.300 0.070 0.000 1.148 170 P CA 1.579 64.718 63.100 0.065 0.000 0.828 170 P CB 0.117 31.850 31.700 0.056 0.000 0.783 171 T N 0.061 114.658 114.554 0.071 0.000 3.327 171 T HA 0.317 4.667 4.350 -0.000 0.000 0.373 171 T C -2.634 172.109 174.700 0.070 0.000 1.589 171 T CA -1.525 60.614 62.100 0.064 0.000 1.497 171 T CB 1.225 70.125 68.868 0.054 0.000 1.032 171 T HN 0.056 nan 8.240 nan 0.000 0.640 172 P HA 0.479 nan 4.420 nan 0.000 0.287 172 P C -0.491 176.896 177.300 0.145 0.000 1.296 172 P CA -0.992 62.208 63.100 0.167 0.000 0.811 172 P CB 0.924 32.761 31.700 0.228 0.000 1.211 173 M N 0.934 120.648 119.600 0.190 0.000 2.156 173 M HA 0.244 4.724 4.480 -0.000 0.000 0.345 173 M C 0.142 176.565 176.300 0.205 0.000 1.398 173 M CA -0.141 55.200 55.300 0.068 0.000 1.148 173 M CB -0.827 31.698 32.600 -0.125 0.000 1.663 173 M HN 0.242 nan 8.290 nan 0.000 0.464 174 L N 2.982 124.278 121.223 0.121 0.000 2.426 174 L HA 0.653 4.993 4.340 -0.000 0.000 0.271 174 L C 1.087 178.023 176.870 0.109 0.000 1.169 174 L CA 0.040 54.968 54.840 0.146 0.000 0.836 174 L CB 0.368 42.470 42.059 0.072 0.000 1.112 174 L HN 0.930 nan 8.230 nan 0.000 0.465 175 G N 1.888 110.784 108.800 0.160 0.000 2.236 175 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.231 175 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.231 175 G C -1.423 173.573 174.900 0.160 0.000 1.334 175 G CA -0.790 44.369 45.100 0.098 0.000 1.137 175 G HN 0.366 nan 8.290 nan 0.000 0.482 176 V N 0.793 120.739 119.914 0.054 0.000 2.350 176 V HA 0.602 4.721 4.120 -0.000 0.000 0.276 176 V C -0.468 175.587 176.094 -0.065 0.000 1.028 176 V CA -0.285 62.030 62.300 0.025 0.000 0.860 176 V CB 0.872 32.692 31.823 -0.004 0.000 0.990 176 V HN 0.543 nan 8.190 nan 0.000 0.453 177 W N 2.866 123.862 121.300 -0.506 0.000 2.436 177 W HA 0.548 5.208 4.660 -0.000 0.000 0.347 177 W C 0.341 176.529 176.519 -0.551 0.000 1.136 177 W CA -0.601 56.352 57.345 -0.655 0.000 1.286 177 W CB 0.730 29.424 29.460 -1.277 0.000 1.253 177 W HN 0.403 nan 8.180 nan 0.000 0.617 178 N N 1.625 120.262 118.700 -0.106 0.000 2.448 178 N HA 0.386 5.126 4.740 -0.000 0.000 0.279 178 N C -1.476 174.085 175.510 0.085 0.000 1.025 178 N CA -0.446 52.595 53.050 -0.015 0.000 0.898 178 N CB 0.843 39.316 38.487 -0.022 0.000 1.303 178 N HN 0.307 nan 8.380 nan 0.000 0.495 179 I N 1.391 122.036 120.570 0.126 0.000 2.325 179 I HA 0.220 4.390 4.170 -0.000 0.000 0.291 179 I C 0.319 176.482 176.117 0.077 0.000 1.019 179 I CA -0.379 60.974 61.300 0.088 0.000 1.302 179 I CB 1.264 39.262 38.000 -0.004 0.000 1.401 179 I HN 0.306 nan 8.210 nan 0.000 0.485 180 S N 5.754 121.509 115.700 0.093 0.000 2.552 180 S HA 0.599 5.069 4.470 -0.000 0.000 0.314 180 S C -0.674 174.003 174.600 0.129 0.000 1.099 180 S CA -0.516 57.745 58.200 0.102 0.000 1.070 180 S CB 1.225 64.482 63.200 0.095 0.000 0.998 180 S HN 0.302 nan 8.310 nan 0.000 0.474 181 V N 4.763 124.746 119.914 0.116 0.000 2.459 181 V HA 0.582 4.702 4.120 -0.000 0.000 0.295 181 V C -0.051 176.109 176.094 0.110 0.000 1.029 181 V CA -0.622 61.755 62.300 0.129 0.000 0.874 181 V CB 1.648 33.542 31.823 0.119 0.000 0.985 181 V HN 0.871 nan 8.190 nan 0.000 0.438 182 E N 2.513 122.792 120.200 0.132 0.000 2.248 182 E HA 0.705 5.055 4.350 -0.000 0.000 0.267 182 E C -1.816 174.839 176.600 0.092 0.000 0.877 182 E CA -0.505 55.944 56.400 0.083 0.000 0.759 182 E CB 2.522 32.234 29.700 0.021 0.000 1.182 182 E HN 0.471 nan 8.360 nan 0.000 0.418 183 V N 4.334 124.281 119.914 0.055 0.000 2.487 183 V HA 0.198 4.317 4.120 -0.000 0.000 0.298 183 V C -0.391 175.723 176.094 0.034 0.000 1.028 183 V CA -0.674 61.657 62.300 0.053 0.000 0.860 183 V CB 1.647 33.496 31.823 0.044 0.000 0.991 183 V HN 0.817 nan 8.190 nan 0.000 0.427 184 E N 3.583 123.806 120.200 0.038 0.000 2.228 184 E HA -0.250 4.100 4.350 -0.000 0.000 0.213 184 E C 1.256 177.856 176.600 0.001 0.000 1.282 184 E CA 1.020 57.435 56.400 0.025 0.000 0.707 184 E CB -1.226 28.490 29.700 0.026 0.000 1.150 184 E HN 1.590 nan 8.360 nan 0.000 0.362 185 G N 0.396 109.177 108.800 -0.032 0.000 2.233 185 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.270 185 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.270 185 G C 0.026 174.898 174.900 -0.047 0.000 1.011 185 G CA 1.038 46.093 45.100 -0.075 0.000 0.762 185 G HN 0.377 nan 8.290 nan 0.000 0.511 186 E N -0.379 119.810 120.200 -0.019 0.000 2.256 186 E HA 0.315 4.665 4.350 -0.000 0.000 0.268 186 E C -0.243 176.365 176.600 0.012 0.000 0.877 186 E CA -0.824 55.576 56.400 -0.000 0.000 0.757 186 E CB 1.632 31.343 29.700 0.018 0.000 1.183 186 E HN 0.374 nan 8.360 nan 0.000 0.418 187 E N 2.697 122.906 120.200 0.016 0.000 2.417 187 E HA -0.057 4.293 4.350 -0.000 0.000 0.261 187 E C 0.063 176.688 176.600 0.041 0.000 1.000 187 E CA 0.121 56.540 56.400 0.031 0.000 0.919 187 E CB 0.521 30.241 29.700 0.032 0.000 0.955 187 E HN 0.410 nan 8.360 nan 0.000 0.455 188 L N 5.306 126.559 121.223 0.050 0.000 2.362 188 L HA 0.270 4.610 4.340 -0.000 0.000 0.204 188 L C -0.584 176.321 176.870 0.058 0.000 1.060 188 L CA 0.676 55.546 54.840 0.050 0.000 0.827 188 L CB 0.877 42.967 42.059 0.051 0.000 1.027 188 L HN 0.469 nan 8.230 nan 0.000 0.474 189 V N -1.111 118.846 119.914 0.071 0.000 2.932 189 V HA 0.644 4.763 4.120 -0.000 0.000 0.307 189 V C -0.745 175.403 176.094 0.089 0.000 1.147 189 V CA -0.446 61.903 62.300 0.082 0.000 0.951 189 V CB 1.212 33.092 31.823 0.096 0.000 1.031 189 V HN 0.095 nan 8.190 nan 0.000 0.426 190 S N 2.360 118.116 115.700 0.093 0.000 2.536 190 S HA 0.903 5.373 4.470 -0.000 0.000 0.287 190 S C -1.076 173.596 174.600 0.120 0.000 1.101 190 S CA -0.600 57.658 58.200 0.097 0.000 0.950 190 S CB 1.964 65.214 63.200 0.083 0.000 1.056 190 S HN 0.971 nan 8.310 nan 0.000 0.481 191 K N 1.652 122.128 120.400 0.128 0.000 2.525 191 K HA 0.561 4.881 4.320 -0.000 0.000 0.254 191 K C -0.618 176.072 176.600 0.151 0.000 0.934 191 K CA -0.374 56.008 56.287 0.158 0.000 0.802 191 K CB 1.901 34.510 32.500 0.182 0.000 1.295 191 K HN 0.806 nan 8.250 nan 0.000 0.433 192 T N 0.118 114.743 114.554 0.118 0.000 2.936 192 T HA 0.823 5.173 4.350 -0.000 0.000 0.282 192 T C -0.398 174.389 174.700 0.144 0.000 1.003 192 T CA -0.607 61.520 62.100 0.045 0.000 1.005 192 T CB 0.505 69.351 68.868 -0.036 0.000 1.097 192 T HN 0.498 nan 8.240 nan 0.000 0.532 193 F N -1.859 118.143 119.950 0.088 0.000 2.668 193 F HA 0.793 5.320 4.527 -0.000 0.000 0.309 193 F C -0.885 175.010 175.800 0.158 0.000 1.117 193 F CA -1.239 56.833 58.000 0.121 0.000 0.951 193 F CB 1.270 40.423 39.000 0.254 0.000 1.323 193 F HN 0.624 nan 8.300 nan 0.000 0.451 194 E N 1.045 121.448 120.200 0.337 0.000 2.202 194 E HA 0.662 5.012 4.350 -0.000 0.000 0.272 194 E C -1.486 175.314 176.600 0.333 0.000 0.951 194 E CA -1.248 55.291 56.400 0.231 0.000 0.813 194 E CB 2.702 32.487 29.700 0.141 0.000 1.151 194 E HN 0.525 nan 8.360 nan 0.000 0.398 195 V N 3.360 123.413 119.914 0.232 0.000 2.409 195 V HA 0.367 4.487 4.120 -0.000 0.000 0.291 195 V C -0.227 175.963 176.094 0.161 0.000 1.020 195 V CA -0.659 61.756 62.300 0.193 0.000 0.848 195 V CB 1.399 33.284 31.823 0.103 0.000 0.990 195 V HN 0.548 nan 8.190 nan 0.000 0.430 196 K N 2.706 123.182 120.400 0.126 0.000 2.395 196 K HA 0.590 4.910 4.320 -0.000 0.000 0.247 196 K C -0.750 175.903 176.600 0.089 0.000 0.973 196 K CA -0.881 55.455 56.287 0.082 0.000 0.828 196 K CB 2.999 35.523 32.500 0.040 0.000 1.272 196 K HN 0.648 nan 8.250 nan 0.000 0.439 197 E N 0.986 121.221 120.200 0.057 0.000 2.313 197 E HA 0.050 4.400 4.350 -0.000 0.000 0.272 197 E C 0.073 176.712 176.600 0.064 0.000 1.038 197 E CA -0.147 56.296 56.400 0.071 0.000 0.863 197 E CB 0.633 30.333 29.700 -0.000 0.000 1.060 197 E HN 0.538 nan 8.360 nan 0.000 0.402 198 Y N 1.566 121.860 120.300 -0.010 0.000 2.583 198 Y HA 0.051 4.601 4.550 -0.000 0.000 0.293 198 Y C 1.006 176.882 175.900 -0.039 0.000 1.157 198 Y CA 0.099 58.196 58.100 -0.005 0.000 1.315 198 Y CB -0.200 38.247 38.460 -0.021 0.000 1.021 198 Y HN 0.218 nan 8.280 nan 0.000 0.536 199 V N 1.880 121.421 119.914 -0.622 0.000 3.440 199 V HA -0.197 3.923 4.120 -0.000 0.000 0.274 199 V C 1.162 177.083 176.094 -0.288 0.000 1.207 199 V CA 0.518 62.448 62.300 -0.617 0.000 1.183 199 V CB -1.543 30.019 31.823 -0.434 0.000 0.837 199 V HN 0.396 nan 8.190 nan 0.000 0.532 200 L N 2.027 123.128 121.223 -0.204 0.000 2.546 200 L HA -0.003 4.337 4.340 -0.000 0.000 0.272 200 L C 1.855 178.750 176.870 0.041 0.000 1.327 200 L CA 0.232 54.995 54.840 -0.128 0.000 1.199 200 L CB -0.439 41.413 42.059 -0.345 0.000 1.401 200 L HN 0.411 nan 8.230 nan 0.000 0.440 201 S N -1.346 114.376 115.700 0.036 0.000 2.474 201 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 201 S C 1.108 175.921 174.600 0.355 0.000 0.997 201 S CA 0.322 58.603 58.200 0.134 0.000 0.949 201 S CB -0.324 62.904 63.200 0.047 0.000 0.766 201 S HN 0.613 nan 8.310 nan 0.000 0.517 202 T N 2.555 117.273 114.554 0.273 0.000 2.926 202 T HA 0.428 4.778 4.350 -0.000 0.000 0.307 202 T C -0.353 174.589 174.700 0.402 0.000 1.059 202 T CA -0.539 61.716 62.100 0.258 0.000 1.122 202 T CB -0.199 68.718 68.868 0.082 0.000 0.972 202 T HN 0.349 nan 8.240 nan 0.000 0.545 203 F N 1.475 121.509 119.950 0.141 0.000 2.579 203 F HA 0.752 5.279 4.527 -0.000 0.000 0.324 203 F C -0.293 175.431 175.800 -0.127 0.000 1.058 203 F CA -1.479 56.486 58.000 -0.058 0.000 0.944 203 F CB 1.026 39.813 39.000 -0.354 0.000 1.245 203 F HN 0.273 nan 8.300 nan 0.000 0.477 204 D N 1.205 121.550 120.400 -0.091 0.000 2.217 204 D HA 0.535 5.175 4.640 -0.000 0.000 0.248 204 D C -0.835 175.403 176.300 -0.102 0.000 1.008 204 D CA -0.221 53.697 54.000 -0.138 0.000 0.914 204 D CB 2.604 43.327 40.800 -0.129 0.000 1.182 204 D HN 0.398 nan 8.370 nan 0.000 0.451 205 V N 1.862 121.703 119.914 -0.122 0.000 2.495 205 V HA 0.294 4.414 4.120 -0.000 0.000 0.298 205 V C -0.159 175.886 176.094 -0.082 0.000 1.031 205 V CA -0.731 61.496 62.300 -0.120 0.000 0.871 205 V CB 1.821 33.597 31.823 -0.077 0.000 0.988 205 V HN 0.361 nan 8.190 nan 0.000 0.432 206 Q N 2.584 122.340 119.800 -0.074 0.000 2.312 206 Q HA 0.754 5.094 4.340 -0.000 0.000 0.263 206 Q C -1.454 174.536 176.000 -0.015 0.000 0.995 206 Q CA -0.651 55.125 55.803 -0.046 0.000 0.853 206 Q CB 2.799 31.506 28.738 -0.052 0.000 1.300 206 Q HN 0.591 nan 8.270 nan 0.000 0.448 207 V N 4.537 124.449 119.914 -0.004 0.000 2.447 207 V HA 0.510 4.630 4.120 -0.000 0.000 0.292 207 V C -0.589 175.512 176.094 0.011 0.000 1.021 207 V CA -0.658 61.649 62.300 0.012 0.000 0.850 207 V CB 1.344 33.180 31.823 0.022 0.000 1.005 207 V HN 0.734 nan 8.190 nan 0.000 0.426 208 M N 4.240 123.849 119.600 0.014 0.000 2.550 208 M HA 0.783 5.263 4.480 -0.000 0.000 0.292 208 M C -3.318 172.996 176.300 0.023 0.000 1.221 208 M CA -2.455 52.858 55.300 0.021 0.000 0.873 208 M CB 1.731 34.343 32.600 0.019 0.000 1.727 208 M HN 0.167 nan 8.290 nan 0.000 0.459 209 P HA 0.191 nan 4.420 nan 0.000 0.268 209 P C 0.538 177.856 177.300 0.031 0.000 1.205 209 P CA 0.105 63.225 63.100 0.033 0.000 0.771 209 P CB 0.538 32.275 31.700 0.061 0.000 0.858 210 S N 1.400 117.110 115.700 0.016 0.000 2.501 210 S HA 0.138 4.608 4.470 -0.000 0.000 0.220 210 S C 0.597 175.206 174.600 0.016 0.000 0.997 210 S CA 0.174 58.383 58.200 0.015 0.000 0.919 210 S CB -0.103 63.099 63.200 0.003 0.000 0.778 210 S HN 0.352 nan 8.310 nan 0.000 0.523 211 V N 1.572 121.499 119.914 0.021 0.000 2.971 211 V HA 0.560 4.680 4.120 -0.000 0.000 0.309 211 V C -0.938 175.210 176.094 0.090 0.000 1.130 211 V CA -1.626 60.695 62.300 0.035 0.000 0.964 211 V CB 2.125 33.943 31.823 -0.009 0.000 1.029 211 V HN 0.527 nan 8.190 nan 0.000 0.427 212 I N 5.731 126.380 120.570 0.133 0.000 2.598 212 I HA 0.465 4.635 4.170 -0.000 0.000 0.284 212 I C -2.318 173.966 176.117 0.278 0.000 1.140 212 I CA -0.998 60.424 61.300 0.203 0.000 1.420 212 I CB 1.117 39.241 38.000 0.205 0.000 1.387 212 I HN 0.455 nan 8.210 nan 0.000 0.553 213 P HA 0.290 nan 4.420 nan 0.000 0.276 213 P C -1.075 176.363 177.300 0.231 0.000 1.253 213 P CA 0.067 63.334 63.100 0.278 0.000 0.766 213 P CB 0.635 32.431 31.700 0.159 0.000 0.845 214 L N 2.221 123.484 121.223 0.067 0.000 2.334 214 L HA 0.346 4.686 4.340 -0.000 0.000 0.276 214 L C 1.894 178.684 176.870 -0.132 0.000 1.014 214 L CA -0.635 54.098 54.840 -0.179 0.000 0.815 214 L CB 1.648 43.395 42.059 -0.520 0.000 1.268 214 L HN 0.369 nan 8.230 nan 0.000 0.428 215 E N 1.776 121.967 120.200 -0.015 0.000 2.097 215 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 215 E C 1.552 178.203 176.600 0.085 0.000 1.000 215 E CA 2.153 58.620 56.400 0.112 0.000 0.804 215 E CB 0.224 29.961 29.700 0.061 0.000 0.740 215 E HN 0.800 nan 8.360 nan 0.000 0.454 216 E N -0.573 119.603 120.200 -0.041 0.000 2.160 216 E HA -0.251 4.099 4.350 -0.000 0.000 0.195 216 E C 1.671 178.325 176.600 0.089 0.000 0.991 216 E CA 1.550 57.949 56.400 -0.002 0.000 0.810 216 E CB -0.624 29.049 29.700 -0.045 0.000 0.742 216 E HN 0.602 nan 8.360 nan 0.000 0.466 217 H N 0.631 119.751 119.070 0.083 0.000 2.456 217 H HA -0.011 4.545 4.556 -0.000 0.000 0.296 217 H C 0.480 175.845 175.328 0.062 0.000 1.079 217 H CA 0.584 56.667 56.048 0.058 0.000 1.322 217 H CB 0.146 29.933 29.762 0.042 0.000 1.388 217 H HN 0.075 nan 8.280 nan 0.000 0.538 218 Q N -1.161 118.784 119.800 0.241 0.000 2.461 218 Q HA -0.187 4.153 4.340 -0.000 0.000 0.264 218 Q C -0.535 175.543 176.000 0.130 0.000 1.085 218 Q CA 0.919 56.876 55.803 0.257 0.000 1.006 218 Q CB -1.573 27.281 28.738 0.193 0.000 1.437 218 Q HN 0.626 nan 8.270 nan 0.000 0.514 219 A N -1.625 121.201 122.820 0.010 0.000 2.601 219 A HA 0.736 5.056 4.320 -0.000 0.000 0.291 219 A C -1.135 176.269 177.584 -0.300 0.000 1.075 219 A CA -0.284 51.545 52.037 -0.347 0.000 0.671 219 A CB 1.856 20.735 19.000 -0.202 0.000 1.277 219 A HN 0.074 nan 8.150 nan 0.000 0.417 220 V N 2.099 121.747 119.914 -0.444 0.000 2.487 220 V HA 0.424 4.544 4.120 -0.000 0.000 0.298 220 V C -0.929 175.056 176.094 -0.182 0.000 1.028 220 V CA -0.888 61.273 62.300 -0.232 0.000 0.860 220 V CB 1.857 33.544 31.823 -0.227 0.000 0.991 220 V HN 0.793 nan 8.190 nan 0.000 0.427 221 N N 5.097 123.733 118.700 -0.108 0.000 2.426 221 N HA 0.657 5.397 4.740 -0.000 0.000 0.275 221 N C -0.971 174.507 175.510 -0.053 0.000 1.019 221 N CA -0.235 52.762 53.050 -0.089 0.000 0.941 221 N CB 1.760 40.197 38.487 -0.083 0.000 1.123 221 N HN 0.537 nan 8.380 nan 0.000 0.486 222 L N 1.240 122.434 121.223 -0.049 0.000 2.362 222 L HA 0.438 4.778 4.340 -0.000 0.000 0.275 222 L C 0.003 176.869 176.870 -0.006 0.000 0.998 222 L CA -0.750 54.077 54.840 -0.023 0.000 0.820 222 L CB 1.993 44.036 42.059 -0.028 0.000 1.270 222 L HN 0.312 nan 8.230 nan 0.000 0.415 223 T N 4.234 118.793 114.554 0.009 0.000 2.749 223 T HA 0.526 4.876 4.350 -0.000 0.000 0.295 223 T C -0.008 174.710 174.700 0.030 0.000 0.936 223 T CA -0.033 62.081 62.100 0.023 0.000 1.060 223 T CB 0.392 69.277 68.868 0.027 0.000 0.904 223 T HN 0.244 nan 8.240 nan 0.000 0.500 224 I N 3.088 123.686 120.570 0.047 0.000 2.377 224 I HA 0.455 4.625 4.170 -0.000 0.000 0.293 224 I C 0.274 176.429 176.117 0.064 0.000 0.987 224 I CA -0.592 60.748 61.300 0.066 0.000 1.185 224 I CB 1.721 39.788 38.000 0.111 0.000 1.341 224 I HN 0.541 nan 8.210 nan 0.000 0.455 225 E N 4.800 125.006 120.200 0.010 0.000 2.275 225 E HA 0.749 5.099 4.350 -0.000 0.000 0.270 225 E C -1.661 174.838 176.600 -0.169 0.000 0.882 225 E CA -0.783 55.595 56.400 -0.036 0.000 0.758 225 E CB 2.077 31.762 29.700 -0.026 0.000 1.195 225 E HN 0.701 nan 8.360 nan 0.000 0.419 226 A N 4.777 127.428 122.820 -0.282 0.000 2.353 226 A HA 0.600 4.919 4.320 -0.000 0.000 0.299 226 A C -1.130 176.216 177.584 -0.396 0.000 1.089 226 A CA -0.735 50.993 52.037 -0.515 0.000 0.736 226 A CB 0.935 19.148 19.000 -1.313 0.000 1.195 226 A HN 0.643 nan 8.150 nan 0.000 0.447 227 N N 1.035 119.554 118.700 -0.301 0.000 2.242 227 N HA 0.417 5.157 4.740 -0.000 0.000 0.292 227 N C -1.410 173.963 175.510 -0.229 0.000 1.125 227 N CA -0.239 52.657 53.050 -0.256 0.000 0.783 227 N CB 1.647 40.067 38.487 -0.112 0.000 1.558 227 N HN 0.596 nan 8.380 nan 0.000 0.472 228 Y N 0.319 120.667 120.300 0.079 0.000 2.299 228 Y HA 0.084 4.634 4.550 -0.000 0.000 0.335 228 Y C 1.840 177.817 175.900 0.129 0.000 1.287 228 Y CA -0.088 58.114 58.100 0.169 0.000 1.424 228 Y CB 0.510 39.106 38.460 0.228 0.000 1.326 228 Y HN 0.601 nan 8.280 nan 0.000 0.567 229 H N -0.046 119.219 119.070 0.324 0.000 2.321 229 H HA -0.162 4.394 4.556 -0.000 0.000 0.300 229 H C 1.750 177.190 175.328 0.188 0.000 1.087 229 H CA 2.014 58.163 56.048 0.169 0.000 1.319 229 H CB -0.368 29.431 29.762 0.060 0.000 1.379 229 H HN 0.711 nan 8.280 nan 0.000 0.501 230 F N -0.101 119.996 119.950 0.246 0.000 2.063 230 F HA -0.221 4.305 4.527 -0.000 0.000 0.298 230 F C 2.165 178.023 175.800 0.096 0.000 1.109 230 F CA 2.299 60.389 58.000 0.151 0.000 1.212 230 F CB -0.312 38.795 39.000 0.179 0.000 0.973 230 F HN 0.344 nan 8.300 nan 0.000 0.480 231 G N -1.390 107.566 108.800 0.260 0.000 3.468 231 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.219 231 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.219 231 G C 0.241 175.238 174.900 0.161 0.000 0.968 231 G CA -0.366 44.793 45.100 0.100 0.000 0.851 231 G HN 0.181 nan 8.290 nan 0.000 0.524 232 K N 2.616 123.205 120.400 0.314 0.000 2.451 232 K HA 0.289 4.609 4.320 -0.000 0.000 0.280 232 K C -2.096 174.694 176.600 0.317 0.000 1.020 232 K CA -0.991 55.501 56.287 0.341 0.000 1.008 232 K CB 0.858 33.600 32.500 0.403 0.000 0.917 232 K HN 0.158 nan 8.250 nan 0.000 0.478 233 P HA -0.073 nan 4.420 nan 0.000 0.268 233 P C -0.500 176.822 177.300 0.038 0.000 1.208 233 P CA -0.156 63.016 63.100 0.119 0.000 0.777 233 P CB 0.736 32.618 31.700 0.303 0.000 0.875 234 V N 2.230 121.995 119.914 -0.247 0.000 2.547 234 V HA 0.371 4.491 4.120 -0.000 0.000 0.299 234 V C -0.378 175.648 176.094 -0.113 0.000 1.040 234 V CA -0.753 61.337 62.300 -0.350 0.000 0.913 234 V CB 1.394 32.572 31.823 -1.075 0.000 0.992 234 V HN 0.593 nan 8.190 nan 0.000 0.449 235 Q N 4.135 123.889 119.800 -0.076 0.000 2.278 235 Q HA 0.747 5.087 4.340 -0.000 0.000 0.257 235 Q C -0.221 175.656 176.000 -0.204 0.000 0.928 235 Q CA 0.198 55.918 55.803 -0.138 0.000 0.932 235 Q CB 1.475 30.122 28.738 -0.152 0.000 1.221 235 Q HN 1.247 nan 8.270 nan 0.000 0.434 236 G N 1.190 109.799 108.800 -0.320 0.000 2.554 236 G HA2 0.440 4.400 3.960 -0.000 0.000 0.306 236 G HA3 0.440 4.400 3.960 -0.000 0.000 0.306 236 G C -1.732 172.701 174.900 -0.777 0.000 1.320 236 G CA -0.554 44.209 45.100 -0.561 0.000 0.800 236 G HN 0.492 nan 8.290 nan 0.000 0.481 237 V N 0.648 120.117 119.914 -0.743 0.000 2.417 237 V HA 0.695 4.815 4.120 -0.000 0.000 0.291 237 V C 0.382 176.078 176.094 -0.662 0.000 1.024 237 V CA -0.366 61.585 62.300 -0.581 0.000 0.861 237 V CB 1.133 32.742 31.823 -0.356 0.000 0.985 237 V HN 1.257 nan 8.190 nan 0.000 0.436 238 A N 5.094 127.590 122.820 -0.539 0.000 2.258 238 A HA 0.645 4.964 4.320 -0.000 0.000 0.316 238 A C -0.131 177.349 177.584 -0.174 0.000 1.279 238 A CA -0.653 51.177 52.037 -0.346 0.000 0.876 238 A CB 0.385 19.275 19.000 -0.183 0.000 1.170 238 A HN 0.802 nan 8.150 nan 0.000 0.520 239 K N 1.875 122.204 120.400 -0.117 0.000 2.262 239 K HA 0.469 4.789 4.320 -0.000 0.000 0.282 239 K C -0.936 175.636 176.600 -0.046 0.000 1.066 239 K CA -0.197 56.044 56.287 -0.077 0.000 0.901 239 K CB 1.433 33.897 32.500 -0.060 0.000 1.089 239 K HN 0.449 nan 8.250 nan 0.000 0.476 240 V N 3.829 123.707 119.914 -0.060 0.000 2.398 240 V HA 0.243 4.362 4.120 -0.000 0.000 0.286 240 V C -0.164 175.868 176.094 -0.103 0.000 1.026 240 V CA -0.688 61.576 62.300 -0.060 0.000 0.868 240 V CB 1.295 33.081 31.823 -0.062 0.000 0.982 240 V HN 0.731 nan 8.190 nan 0.000 0.443 241 E N 4.064 124.187 120.200 -0.129 0.000 2.238 241 E HA 0.692 5.042 4.350 -0.000 0.000 0.267 241 E C -1.280 175.080 176.600 -0.400 0.000 0.887 241 E CA -0.816 55.400 56.400 -0.306 0.000 0.769 241 E CB 3.182 32.658 29.700 -0.372 0.000 1.187 241 E HN 0.499 nan 8.360 nan 0.000 0.416 242 L N 3.005 123.927 121.223 -0.502 0.000 2.409 242 L HA 0.434 4.774 4.340 -0.000 0.000 0.272 242 L C -1.835 174.821 176.870 -0.358 0.000 0.980 242 L CA -0.620 54.039 54.840 -0.301 0.000 0.826 242 L CB 1.022 43.010 42.059 -0.119 0.000 1.268 242 L HN 0.515 nan 8.230 nan 0.000 0.407 243 Y N 5.361 125.700 120.300 0.064 0.000 2.328 243 Y HA 0.536 5.086 4.550 -0.000 0.000 0.337 243 Y C -0.520 175.423 175.900 0.072 0.000 0.966 243 Y CA -0.645 57.490 58.100 0.059 0.000 1.136 243 Y CB 1.455 39.937 38.460 0.037 0.000 1.170 243 Y HN 0.332 nan 8.280 nan 0.000 0.470 244 L N 4.295 125.635 121.223 0.196 0.000 2.295 244 L HA 0.371 4.711 4.340 -0.000 0.000 0.281 244 L C 0.087 177.027 176.870 0.117 0.000 1.018 244 L CA -0.207 54.720 54.840 0.145 0.000 0.841 244 L CB 1.018 43.157 42.059 0.133 0.000 1.218 244 L HN 0.715 nan 8.230 nan 0.000 0.424 245 D N 0.337 120.793 120.400 0.093 0.000 2.301 245 D HA -0.110 4.530 4.640 -0.000 0.000 0.206 245 D C 1.320 177.641 176.300 0.034 0.000 0.979 245 D CA 0.604 54.642 54.000 0.064 0.000 0.874 245 D CB 0.449 41.275 40.800 0.044 0.000 0.968 245 D HN 0.526 nan 8.370 nan 0.000 0.510 246 D N 1.087 121.499 120.400 0.020 0.000 2.221 246 D HA -0.125 4.515 4.640 -0.000 0.000 0.204 246 D C 0.548 176.852 176.300 0.005 0.000 0.982 246 D CA 0.935 54.934 54.000 -0.001 0.000 0.857 246 D CB 0.178 40.962 40.800 -0.026 0.000 0.934 246 D HN 0.092 nan 8.370 nan 0.000 0.475 247 D N -0.373 120.041 120.400 0.022 0.000 2.431 247 D HA 0.032 4.672 4.640 -0.000 0.000 0.213 247 D C 0.523 176.847 176.300 0.039 0.000 1.130 247 D CA -0.104 53.912 54.000 0.027 0.000 0.834 247 D CB 0.427 41.247 40.800 0.034 0.000 0.985 247 D HN 0.077 nan 8.370 nan 0.000 0.504 248 K N 0.491 120.918 120.400 0.046 0.000 3.020 248 K HA -0.199 4.121 4.320 -0.000 0.000 0.266 248 K C 0.045 176.688 176.600 0.071 0.000 1.067 248 K CA 0.472 56.792 56.287 0.055 0.000 0.780 248 K CB -1.968 30.556 32.500 0.039 0.000 1.220 248 K HN 0.339 nan 8.250 nan 0.000 0.483 249 L N 0.259 121.531 121.223 0.082 0.000 2.399 249 L HA 0.394 4.734 4.340 -0.000 0.000 0.265 249 L C 0.570 177.493 176.870 0.089 0.000 1.089 249 L CA -0.451 54.437 54.840 0.080 0.000 0.802 249 L CB 1.085 43.195 42.059 0.084 0.000 1.180 249 L HN 0.005 nan 8.230 nan 0.000 0.454 250 K N 2.993 123.416 120.400 0.039 0.000 2.695 250 K HA 0.400 4.720 4.320 -0.000 0.000 0.255 250 K C -1.608 174.945 176.600 -0.079 0.000 1.016 250 K CA -0.473 55.786 56.287 -0.047 0.000 0.928 250 K CB 1.171 33.663 32.500 -0.012 0.000 1.235 250 K HN 0.484 nan 8.250 nan 0.000 0.467 251 L N 3.973 125.127 121.223 -0.115 0.000 2.305 251 L HA 0.445 4.785 4.340 -0.000 0.000 0.281 251 L C -0.074 176.702 176.870 -0.157 0.000 1.085 251 L CA -0.459 54.316 54.840 -0.108 0.000 0.813 251 L CB 0.928 42.929 42.059 -0.098 0.000 1.157 251 L HN 0.426 nan 8.230 nan 0.000 0.436 252 K N 3.693 124.023 120.400 -0.117 0.000 2.371 252 K HA 0.643 4.963 4.320 -0.000 0.000 0.251 252 K C -1.101 175.441 176.600 -0.096 0.000 0.934 252 K CA -0.941 55.279 56.287 -0.112 0.000 0.798 252 K CB 2.718 35.167 32.500 -0.084 0.000 1.204 252 K HN 0.434 nan 8.250 nan 0.000 0.427 253 K N 1.967 122.310 120.400 -0.095 0.000 2.527 253 K HA 0.308 4.628 4.320 -0.000 0.000 0.260 253 K C -1.236 175.314 176.600 -0.084 0.000 0.937 253 K CA -0.771 55.465 56.287 -0.085 0.000 0.826 253 K CB 2.700 35.146 32.500 -0.089 0.000 1.359 253 K HN 0.583 nan 8.250 nan 0.000 0.434 254 E N 2.572 122.722 120.200 -0.083 0.000 2.256 254 E HA 0.633 4.983 4.350 -0.000 0.000 0.267 254 E C -0.918 175.620 176.600 -0.103 0.000 0.892 254 E CA -0.986 55.354 56.400 -0.099 0.000 0.775 254 E CB 2.333 31.975 29.700 -0.097 0.000 1.207 254 E HN 0.434 nan 8.360 nan 0.000 0.420 255 L N -1.917 119.227 121.223 -0.132 0.000 2.556 255 L HA 0.572 4.912 4.340 -0.000 0.000 0.257 255 L C -0.793 175.957 176.870 -0.201 0.000 0.955 255 L CA -1.030 53.733 54.840 -0.129 0.000 0.850 255 L CB 2.008 44.014 42.059 -0.088 0.000 1.398 255 L HN 0.265 nan 8.230 nan 0.000 0.412 256 T N 1.719 116.149 114.554 -0.207 0.000 2.851 256 T HA 0.496 4.846 4.350 -0.000 0.000 0.298 256 T C -0.099 174.394 174.700 -0.346 0.000 0.977 256 T CA -0.189 61.701 62.100 -0.351 0.000 1.126 256 T CB 1.273 69.924 68.868 -0.361 0.000 0.916 256 T HN 0.420 nan 8.240 nan 0.000 0.529 257 V N 4.309 123.972 119.914 -0.418 0.000 2.448 257 V HA 0.304 4.424 4.120 -0.000 0.000 0.295 257 V C -1.058 174.874 176.094 -0.270 0.000 1.025 257 V CA -0.929 61.269 62.300 -0.171 0.000 0.859 257 V CB 1.131 33.023 31.823 0.114 0.000 0.988 257 V HN 0.848 nan 8.190 nan 0.000 0.431 258 Y N 3.909 124.223 120.300 0.023 0.000 2.880 258 Y HA 0.544 5.094 4.550 -0.000 0.000 0.329 258 Y C 1.412 177.366 175.900 0.090 0.000 1.156 258 Y CA 0.414 58.521 58.100 0.011 0.000 1.348 258 Y CB 0.918 39.330 38.460 -0.079 0.000 1.280 258 Y HN 0.925 nan 8.280 nan 0.000 0.516 259 G N 1.692 110.618 108.800 0.210 0.000 3.078 259 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.227 259 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.227 259 G C 0.293 175.315 174.900 0.203 0.000 1.306 259 G CA 0.676 45.906 45.100 0.218 0.000 0.841 259 G HN 0.471 nan 8.290 nan 0.000 0.530 260 K N 0.347 120.922 120.400 0.292 0.000 2.513 260 K HA 0.595 4.915 4.320 -0.000 0.000 0.251 260 K C -0.385 176.317 176.600 0.170 0.000 0.939 260 K CA -0.047 56.378 56.287 0.229 0.000 0.793 260 K CB 1.479 34.173 32.500 0.324 0.000 1.241 260 K HN 0.849 nan 8.250 nan 0.000 0.431 261 G N 2.143 111.015 108.800 0.121 0.000 2.660 261 G HA2 0.425 4.385 3.960 -0.000 0.000 0.294 261 G HA3 0.425 4.385 3.960 -0.000 0.000 0.294 261 G C -1.601 173.329 174.900 0.051 0.000 1.369 261 G CA -0.471 44.677 45.100 0.081 0.000 0.912 261 G HN 0.380 nan 8.290 nan 0.000 0.479 262 Q N -0.496 119.320 119.800 0.026 0.000 2.345 262 Q HA 0.695 5.035 4.340 -0.000 0.000 0.268 262 Q C -1.170 174.819 176.000 -0.018 0.000 1.054 262 Q CA -0.973 54.832 55.803 0.003 0.000 0.835 262 Q CB 2.749 31.485 28.738 -0.003 0.000 1.339 262 Q HN 0.544 nan 8.270 nan 0.000 0.447 263 V N 1.103 120.996 119.914 -0.034 0.000 2.777 263 V HA 0.339 4.459 4.120 -0.000 0.000 0.306 263 V C -1.430 174.615 176.094 -0.081 0.000 1.112 263 V CA -0.542 61.725 62.300 -0.056 0.000 0.917 263 V CB 2.183 33.973 31.823 -0.056 0.000 1.018 263 V HN 0.864 nan 8.190 nan 0.000 0.426 264 E N 5.651 125.793 120.200 -0.097 0.000 2.151 264 E HA 0.633 4.982 4.350 -0.000 0.000 0.275 264 E C -1.639 174.861 176.600 -0.166 0.000 0.936 264 E CA -0.617 55.705 56.400 -0.131 0.000 0.777 264 E CB 1.571 31.201 29.700 -0.117 0.000 1.108 264 E HN 0.702 nan 8.360 nan 0.000 0.401 265 L N 4.957 126.036 121.223 -0.239 0.000 2.305 265 L HA 0.510 4.850 4.340 -0.000 0.000 0.284 265 L C -0.038 176.555 176.870 -0.461 0.000 1.013 265 L CA -0.567 54.087 54.840 -0.311 0.000 0.819 265 L CB 1.524 43.384 42.059 -0.331 0.000 1.227 265 L HN 0.456 nan 8.230 nan 0.000 0.417 266 R N 3.123 123.416 120.500 -0.345 0.000 2.294 266 R HA 0.494 4.834 4.340 -0.000 0.000 0.319 266 R C -0.812 175.330 176.300 -0.263 0.000 0.984 266 R CA -0.490 55.427 56.100 -0.306 0.000 0.861 266 R CB 1.226 31.443 30.300 -0.139 0.000 1.104 266 R HN 0.353 nan 8.270 nan 0.000 0.451 267 F N 0.829 120.727 119.950 -0.086 0.000 2.378 267 F HA 0.013 4.540 4.527 -0.000 0.000 0.319 267 F C 1.702 177.512 175.800 0.016 0.000 1.155 267 F CA -0.281 57.683 58.000 -0.060 0.000 1.157 267 F CB 0.690 39.606 39.000 -0.139 0.000 1.252 267 F HN 0.549 nan 8.300 nan 0.000 0.550 268 D N 0.630 121.201 120.400 0.285 0.000 2.256 268 D HA -0.081 4.558 4.640 -0.000 0.000 0.279 268 D C -0.042 176.365 176.300 0.178 0.000 1.209 268 D CA 0.474 54.579 54.000 0.174 0.000 0.946 268 D CB -0.109 40.769 40.800 0.130 0.000 0.914 268 D HN 0.505 nan 8.370 nan 0.000 0.278 269 N N 0.010 118.795 118.700 0.141 0.000 3.083 269 N HA 0.087 4.826 4.740 -0.000 0.000 0.260 269 N C -1.335 174.239 175.510 0.105 0.000 1.163 269 N CA -0.292 52.821 53.050 0.106 0.000 1.060 269 N CB -0.368 38.150 38.487 0.051 0.000 1.345 269 N HN -0.023 nan 8.380 nan 0.000 0.515 270 F N 3.026 122.963 119.950 -0.021 0.000 2.404 270 F HA 0.542 5.068 4.527 -0.000 0.000 0.359 270 F C -0.281 175.456 175.800 -0.105 0.000 1.134 270 F CA -0.778 57.145 58.000 -0.128 0.000 1.160 270 F CB 0.497 39.358 39.000 -0.232 0.000 1.186 270 F HN 0.317 nan 8.300 nan 0.000 0.526 271 A N 8.220 130.737 122.820 -0.506 0.000 2.410 271 A HA 0.583 4.903 4.320 -0.000 0.000 0.289 271 A C -0.577 176.695 177.584 -0.520 0.000 1.200 271 A CA -0.745 51.065 52.037 -0.380 0.000 0.751 271 A CB 0.504 19.393 19.000 -0.187 0.000 1.161 271 A HN 0.747 nan 8.150 nan 0.000 0.459 272 M N 1.591 120.887 119.600 -0.507 0.000 2.233 272 M HA 0.146 4.626 4.480 -0.000 0.000 0.350 272 M C 0.246 176.409 176.300 -0.228 0.000 1.176 272 M CA -0.275 54.773 55.300 -0.419 0.000 1.150 272 M CB 0.614 33.033 32.600 -0.302 0.000 1.530 272 M HN 0.679 nan 8.290 nan 0.000 0.459 273 D N 1.208 121.497 120.400 -0.185 0.000 2.194 273 D HA 0.054 4.694 4.640 -0.000 0.000 0.204 273 D C 0.678 176.939 176.300 -0.065 0.000 0.964 273 D CA 0.902 54.838 54.000 -0.107 0.000 0.846 273 D CB 0.258 41.003 40.800 -0.091 0.000 0.962 273 D HN 0.665 nan 8.370 nan 0.000 0.490 274 A N 0.383 123.163 122.820 -0.068 0.000 2.637 274 A HA 0.306 4.626 4.320 -0.000 0.000 0.258 274 A C 0.373 177.943 177.584 -0.023 0.000 1.250 274 A CA -0.374 51.644 52.037 -0.032 0.000 0.931 274 A CB 0.641 19.624 19.000 -0.029 0.000 1.488 274 A HN -0.246 nan 8.150 nan 0.000 0.464 275 D N -0.232 120.176 120.400 0.013 0.000 2.355 275 D HA 0.153 4.793 4.640 -0.000 0.000 0.218 275 D C -0.019 176.316 176.300 0.058 0.000 1.004 275 D CA 1.051 55.093 54.000 0.071 0.000 0.880 275 D CB 0.275 41.166 40.800 0.151 0.000 0.911 275 D HN 0.399 nan 8.370 nan 0.000 0.528 276 Q N 0.012 119.809 119.800 -0.005 0.000 2.340 276 Q HA 0.398 4.738 4.340 -0.000 0.000 0.276 276 Q C -1.451 174.489 176.000 -0.101 0.000 1.048 276 Q CA -0.580 55.178 55.803 -0.074 0.000 0.832 276 Q CB 2.863 31.579 28.738 -0.038 0.000 1.373 276 Q HN -0.089 nan 8.270 nan 0.000 0.409 277 Q N 1.828 121.545 119.800 -0.137 0.000 2.268 277 Q HA 0.281 4.620 4.340 -0.000 0.000 0.266 277 Q C -1.742 174.209 176.000 -0.081 0.000 1.006 277 Q CA -0.629 55.128 55.803 -0.077 0.000 0.824 277 Q CB 1.725 30.447 28.738 -0.027 0.000 1.306 277 Q HN 0.514 nan 8.270 nan 0.000 0.424 278 D N 2.096 122.463 120.400 -0.055 0.000 2.277 278 D HA 0.322 4.962 4.640 -0.000 0.000 0.249 278 D C -0.955 175.355 176.300 0.017 0.000 1.134 278 D CA 0.024 54.002 54.000 -0.036 0.000 0.863 278 D CB 1.659 42.442 40.800 -0.027 0.000 1.143 278 D HN 0.145 nan 8.370 nan 0.000 0.458 279 V N 5.385 125.321 119.914 0.037 0.000 2.409 279 V HA 0.350 4.470 4.120 -0.000 0.000 0.291 279 V C -2.191 173.963 176.094 0.100 0.000 1.020 279 V CA -1.725 60.627 62.300 0.088 0.000 0.848 279 V CB 1.825 33.718 31.823 0.116 0.000 0.990 279 V HN 0.424 nan 8.190 nan 0.000 0.430 280 P HA 0.288 nan 4.420 nan 0.000 0.281 280 P C -0.799 176.646 177.300 0.241 0.000 1.252 280 P CA -0.040 63.156 63.100 0.160 0.000 0.778 280 P CB 1.527 33.310 31.700 0.140 0.000 0.895 281 V N 4.358 124.371 119.914 0.165 0.000 2.628 281 V HA 0.451 4.571 4.120 -0.000 0.000 0.306 281 V C 0.270 176.460 176.094 0.159 0.000 1.045 281 V CA -0.560 61.819 62.300 0.132 0.000 0.905 281 V CB 1.984 33.840 31.823 0.054 0.000 0.997 281 V HN 0.495 nan 8.190 nan 0.000 0.436 282 K N 3.064 123.568 120.400 0.172 0.000 2.345 282 K HA 0.765 5.085 4.320 -0.000 0.000 0.255 282 K C -1.803 174.845 176.600 0.080 0.000 0.934 282 K CA -0.482 55.896 56.287 0.151 0.000 0.801 282 K CB 2.070 34.716 32.500 0.243 0.000 1.137 282 K HN 0.460 nan 8.250 nan 0.000 0.424 283 V N 3.190 123.147 119.914 0.072 0.000 2.407 283 V HA 0.300 4.420 4.120 -0.000 0.000 0.291 283 V C -0.768 175.380 176.094 0.091 0.000 1.018 283 V CA -0.794 61.549 62.300 0.071 0.000 0.842 283 V CB 1.642 33.517 31.823 0.087 0.000 0.996 283 V HN 0.807 nan 8.190 nan 0.000 0.426 284 S N 5.369 121.112 115.700 0.072 0.000 2.420 284 S HA 0.540 5.010 4.470 -0.000 0.000 0.313 284 S C -0.663 173.995 174.600 0.097 0.000 1.079 284 S CA -0.261 57.988 58.200 0.081 0.000 1.104 284 S CB 0.444 63.667 63.200 0.039 0.000 0.969 284 S HN 0.577 nan 8.310 nan 0.000 0.471 285 F N 4.157 124.131 119.950 0.040 0.000 2.361 285 F HA 0.422 4.949 4.527 -0.000 0.000 0.364 285 F C -0.339 175.523 175.800 0.103 0.000 1.120 285 F CA -0.630 57.410 58.000 0.067 0.000 1.102 285 F CB 0.623 39.713 39.000 0.150 0.000 1.183 285 F HN 0.237 nan 8.300 nan 0.000 0.476 286 V N 6.311 126.165 119.914 -0.100 0.000 2.334 286 V HA 0.123 4.243 4.120 -0.000 0.000 0.267 286 V C 0.295 176.339 176.094 -0.082 0.000 1.040 286 V CA -0.766 61.519 62.300 -0.026 0.000 0.866 286 V CB 0.942 32.702 31.823 -0.105 0.000 1.019 286 V HN 0.693 nan 8.190 nan 0.000 0.468 287 E N 3.260 123.522 120.200 0.103 0.000 2.415 287 E HA -0.027 4.323 4.350 -0.000 0.000 0.262 287 E C 1.088 177.569 176.600 -0.198 0.000 1.038 287 E CA 0.067 56.436 56.400 -0.050 0.000 0.921 287 E CB 0.767 30.468 29.700 0.003 0.000 0.950 287 E HN 0.736 nan 8.360 nan 0.000 0.438 288 Q N 2.797 122.396 119.800 -0.336 0.000 1.967 288 Q HA -0.273 4.067 4.340 -0.000 0.000 0.210 288 Q C 1.013 176.646 176.000 -0.612 0.000 1.005 288 Q CA 2.292 57.741 55.803 -0.590 0.000 0.862 288 Q CB -0.113 28.086 28.738 -0.898 0.000 0.939 288 Q HN 0.757 nan 8.270 nan 0.000 0.417 289 Y N -0.809 119.308 120.300 -0.306 0.000 2.396 289 Y HA 0.038 4.588 4.550 -0.000 0.000 0.292 289 Y C 2.716 178.487 175.900 -0.215 0.000 1.128 289 Y CA 1.096 58.960 58.100 -0.392 0.000 1.194 289 Y CB -0.619 37.588 38.460 -0.422 0.000 1.124 289 Y HN 0.391 nan 8.280 nan 0.000 0.543 290 T N -2.163 112.297 114.554 -0.156 0.000 2.881 290 T HA -0.191 4.159 4.350 -0.000 0.000 0.270 290 T C 0.925 175.510 174.700 -0.193 0.000 1.068 290 T CA 1.258 63.090 62.100 -0.448 0.000 1.131 290 T CB -0.543 68.013 68.868 -0.520 0.000 0.871 290 T HN 0.356 nan 8.240 nan 0.000 0.479 291 N N 0.458 119.098 118.700 -0.100 0.000 2.753 291 N HA -0.168 4.572 4.740 -0.000 0.000 0.251 291 N C 0.072 175.590 175.510 0.014 0.000 1.097 291 N CA 0.950 53.979 53.050 -0.034 0.000 0.786 291 N CB -1.566 36.924 38.487 0.005 0.000 1.137 291 N HN 0.726 nan 8.380 nan 0.000 0.566 292 R N 1.217 121.736 120.500 0.031 0.000 2.473 292 R HA 0.080 4.420 4.340 -0.000 0.000 0.315 292 R C -0.602 175.823 176.300 0.208 0.000 0.972 292 R CA 0.704 56.874 56.100 0.117 0.000 1.047 292 R CB 0.217 30.627 30.300 0.184 0.000 0.932 292 R HN -0.018 nan 8.270 nan 0.000 0.411 293 T N 4.150 118.774 114.554 0.116 0.000 2.795 293 T HA 0.349 4.699 4.350 -0.000 0.000 0.282 293 T C -0.653 174.062 174.700 0.025 0.000 0.980 293 T CA -0.559 61.610 62.100 0.115 0.000 1.012 293 T CB 1.657 70.562 68.868 0.063 0.000 0.936 293 T HN 0.288 nan 8.240 nan 0.000 0.457 294 V N 3.923 123.859 119.914 0.036 0.000 2.540 294 V HA 0.513 4.633 4.120 -0.000 0.000 0.302 294 V C -0.342 175.765 176.094 0.021 0.000 1.035 294 V CA -0.744 61.492 62.300 -0.107 0.000 0.873 294 V CB 2.113 33.682 31.823 -0.423 0.000 0.992 294 V HN 0.690 nan 8.190 nan 0.000 0.428 295 V N 4.381 124.291 119.914 -0.006 0.000 2.459 295 V HA 0.623 4.743 4.120 -0.000 0.000 0.295 295 V C -0.308 175.791 176.094 0.009 0.000 1.029 295 V CA -0.767 61.548 62.300 0.026 0.000 0.874 295 V CB 1.886 33.722 31.823 0.023 0.000 0.985 295 V HN 0.841 nan 8.190 nan 0.000 0.438 296 K N 3.672 124.090 120.400 0.030 0.000 2.397 296 K HA 0.594 4.914 4.320 -0.000 0.000 0.253 296 K C -0.923 175.696 176.600 0.032 0.000 0.932 296 K CA -0.362 55.935 56.287 0.016 0.000 0.795 296 K CB 1.797 34.303 32.500 0.010 0.000 1.159 296 K HN 0.722 nan 8.250 nan 0.000 0.424 297 Q N 1.556 121.371 119.800 0.024 0.000 2.377 297 Q HA 0.613 4.953 4.340 -0.000 0.000 0.271 297 Q C -1.197 174.820 176.000 0.028 0.000 1.077 297 Q CA -0.974 54.851 55.803 0.037 0.000 0.820 297 Q CB 2.281 31.038 28.738 0.032 0.000 1.347 297 Q HN 0.839 nan 8.270 nan 0.000 0.444 298 S N 1.069 116.793 115.700 0.039 0.000 2.625 298 S HA 0.386 4.856 4.470 -0.000 0.000 0.271 298 S C -1.371 173.253 174.600 0.040 0.000 1.161 298 S CA -0.990 57.228 58.200 0.030 0.000 0.820 298 S CB 1.884 65.098 63.200 0.023 0.000 1.137 298 S HN 0.431 nan 8.310 nan 0.000 0.470 299 Q N 1.040 120.858 119.800 0.030 0.000 2.303 299 Q HA 0.498 4.838 4.340 -0.000 0.000 0.257 299 Q C -1.051 174.961 176.000 0.020 0.000 0.941 299 Q CA -0.091 55.728 55.803 0.028 0.000 0.931 299 Q CB 1.431 30.179 28.738 0.017 0.000 1.215 299 Q HN 0.692 nan 8.270 nan 0.000 0.437 300 I N 2.039 122.622 120.570 0.022 0.000 2.330 300 I HA 0.130 4.300 4.170 -0.000 0.000 0.289 300 I C 0.064 176.155 176.117 -0.043 0.000 1.001 300 I CA -0.095 61.209 61.300 0.007 0.000 1.193 300 I CB 1.614 39.629 38.000 0.025 0.000 1.345 300 I HN 0.336 nan 8.210 nan 0.000 0.461 301 T N 5.965 120.446 114.554 -0.121 0.000 2.794 301 T HA 0.323 4.673 4.350 -0.000 0.000 0.296 301 T C 0.043 174.489 174.700 -0.424 0.000 0.949 301 T CA -0.435 61.454 62.100 -0.351 0.000 1.101 301 T CB 0.792 69.290 68.868 -0.617 0.000 0.905 301 T HN 0.156 nan 8.240 nan 0.000 0.516 302 V N 4.629 124.352 119.914 -0.318 0.000 2.439 302 V HA 0.377 4.497 4.120 -0.000 0.000 0.282 302 V C -0.758 175.144 176.094 -0.321 0.000 1.039 302 V CA -0.802 61.388 62.300 -0.184 0.000 0.913 302 V CB 0.281 32.130 31.823 0.044 0.000 0.983 302 V HN 0.773 nan 8.190 nan 0.000 0.460 303 Y N 3.073 123.344 120.300 -0.049 0.000 2.409 303 Y HA 0.479 5.028 4.550 -0.000 0.000 0.339 303 Y C 1.152 176.999 175.900 -0.088 0.000 1.033 303 Y CA -0.732 57.301 58.100 -0.111 0.000 1.094 303 Y CB 1.720 40.014 38.460 -0.276 0.000 1.210 303 Y HN 0.488 nan 8.280 nan 0.000 0.456 304 R N 1.228 121.750 120.500 0.035 0.000 2.090 304 R HA -0.006 4.334 4.340 -0.000 0.000 0.228 304 R C -0.747 175.291 176.300 -0.436 0.000 1.110 304 R CA 1.252 57.191 56.100 -0.268 0.000 0.973 304 R CB 0.145 30.167 30.300 -0.463 0.000 0.869 304 R HN 0.686 nan 8.270 nan 0.000 0.440 305 Y N -2.154 118.212 120.300 0.109 0.000 2.549 305 Y HA 0.477 5.027 4.550 -0.000 0.000 0.339 305 Y C 0.595 176.516 175.900 0.036 0.000 1.053 305 Y CA -0.800 57.278 58.100 -0.036 0.000 1.105 305 Y CB 1.809 40.085 38.460 -0.307 0.000 1.258 305 Y HN -0.089 nan 8.280 nan 0.000 0.478 306 A N 1.185 124.094 122.820 0.148 0.000 2.238 306 A HA 0.166 4.486 4.320 -0.000 0.000 0.208 306 A C -0.512 177.160 177.584 0.146 0.000 1.177 306 A CA 0.460 52.626 52.037 0.214 0.000 0.804 306 A CB -1.028 18.124 19.000 0.254 0.000 0.823 306 A HN 0.668 nan 8.150 nan 0.000 0.482 307 Y N -2.131 118.127 120.300 -0.069 0.000 2.615 307 Y HA 0.759 5.309 4.550 -0.000 0.000 0.341 307 Y C -0.556 175.125 175.900 -0.364 0.000 1.089 307 Y CA -1.889 56.010 58.100 -0.336 0.000 1.049 307 Y CB 0.937 39.237 38.460 -0.265 0.000 1.296 307 Y HN 0.190 nan 8.280 nan 0.000 0.470 308 R N 0.637 121.004 120.500 -0.221 0.000 2.744 308 R HA 0.892 5.232 4.340 -0.000 0.000 0.279 308 R C -2.237 173.939 176.300 -0.205 0.000 0.977 308 R CA -1.089 54.955 56.100 -0.094 0.000 0.906 308 R CB 2.230 32.497 30.300 -0.056 0.000 1.197 308 R HN 0.547 nan 8.270 nan 0.000 0.463 309 V N 1.709 121.459 119.914 -0.272 0.000 2.555 309 V HA 0.438 4.558 4.120 -0.000 0.000 0.302 309 V C -0.357 175.282 176.094 -0.758 0.000 1.038 309 V CA -0.709 61.120 62.300 -0.784 0.000 0.887 309 V CB 1.404 32.515 31.823 -1.186 0.000 0.991 309 V HN 0.984 nan 8.190 nan 0.000 0.434 310 E N 3.700 123.499 120.200 -0.670 0.000 2.312 310 E HA 0.707 5.057 4.350 -0.000 0.000 0.267 310 E C -1.377 174.992 176.600 -0.385 0.000 0.894 310 E CA -1.094 55.044 56.400 -0.435 0.000 0.773 310 E CB 2.552 32.163 29.700 -0.149 0.000 1.241 310 E HN 0.438 nan 8.360 nan 0.000 0.432 311 L N 3.055 124.231 121.223 -0.079 0.000 2.260 311 L HA 0.403 4.743 4.340 -0.000 0.000 0.289 311 L C -1.111 175.776 176.870 0.029 0.000 1.057 311 L CA -0.312 54.548 54.840 0.033 0.000 0.811 311 L CB 0.598 42.825 42.059 0.280 0.000 1.184 311 L HN 0.579 nan 8.230 nan 0.000 0.429 312 I N 5.831 126.389 120.570 -0.021 0.000 2.339 312 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 312 I C -0.165 175.931 176.117 -0.034 0.000 0.994 312 I CA -0.665 60.619 61.300 -0.026 0.000 1.191 312 I CB 1.050 39.014 38.000 -0.059 0.000 1.343 312 I HN 0.617 nan 8.210 nan 0.000 0.458 313 K N 4.864 125.254 120.400 -0.016 0.000 2.203 313 K HA 0.256 4.575 4.320 -0.000 0.000 0.251 313 K C 0.822 177.334 176.600 -0.148 0.000 0.944 313 K CA -0.648 55.600 56.287 -0.065 0.000 0.829 313 K CB 2.205 34.808 32.500 0.173 0.000 1.125 313 K HN 0.594 nan 8.250 nan 0.000 0.430 314 E N 0.467 120.475 120.200 -0.320 0.000 2.150 314 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 314 E C 0.029 176.521 176.600 -0.181 0.000 0.985 314 E CA 0.705 56.954 56.400 -0.252 0.000 0.814 314 E CB 0.173 29.688 29.700 -0.308 0.000 0.752 314 E HN 0.420 nan 8.360 nan 0.000 0.466 315 S N -1.044 114.606 115.700 -0.084 0.000 2.537 315 S HA 0.331 4.800 4.470 -0.000 0.000 0.270 315 S C -2.533 172.183 174.600 0.193 0.000 1.142 315 S CA -1.460 56.716 58.200 -0.039 0.000 0.870 315 S CB 2.033 65.138 63.200 -0.158 0.000 1.112 315 S HN -0.234 nan 8.310 nan 0.000 0.466 316 P HA 0.006 nan 4.420 nan 0.000 0.218 316 P C -0.077 177.341 177.300 0.196 0.000 1.148 316 P CA 1.409 64.603 63.100 0.156 0.000 0.822 316 P CB 0.078 31.837 31.700 0.098 0.000 0.784 317 Q N -1.886 118.039 119.800 0.209 0.000 2.433 317 Q HA 0.532 4.872 4.340 -0.000 0.000 0.279 317 Q C -0.514 175.586 176.000 0.166 0.000 1.105 317 Q CA -0.884 54.979 55.803 0.101 0.000 0.815 317 Q CB 1.256 29.982 28.738 -0.020 0.000 1.403 317 Q HN 0.030 nan 8.270 nan 0.000 0.435 318 F N -1.438 118.430 119.950 -0.137 0.000 2.408 318 F HA 0.730 5.257 4.527 -0.000 0.000 0.325 318 F C -0.392 175.397 175.800 -0.018 0.000 1.082 318 F CA -1.045 56.869 58.000 -0.144 0.000 1.032 318 F CB 1.022 39.640 39.000 -0.638 0.000 1.259 318 F HN 0.239 nan 8.300 nan 0.000 0.503 319 R N 2.523 123.177 120.500 0.255 0.000 2.215 319 R HA 0.283 4.623 4.340 -0.000 0.000 0.336 319 R C -2.146 174.305 176.300 0.252 0.000 0.996 319 R CA -1.555 54.606 56.100 0.102 0.000 0.847 319 R CB 1.000 31.360 30.300 0.100 0.000 1.127 319 R HN 0.432 nan 8.270 nan 0.000 0.465 320 P HA -0.254 nan 4.420 nan 0.000 0.221 320 P C 0.861 178.283 177.300 0.204 0.000 1.153 320 P CA 1.612 64.864 63.100 0.254 0.000 0.858 320 P CB 0.315 32.057 31.700 0.070 0.000 0.783 321 G N -3.345 105.534 108.800 0.132 0.000 3.228 321 G HA2 0.329 4.288 3.960 -0.000 0.000 0.245 321 G HA3 0.329 4.288 3.960 -0.000 0.000 0.245 321 G C 0.110 175.061 174.900 0.085 0.000 1.051 321 G CA -0.076 45.078 45.100 0.089 0.000 0.809 321 G HN 0.154 nan 8.290 nan 0.000 0.531 322 L N 1.122 122.416 121.223 0.120 0.000 2.322 322 L HA 0.486 4.826 4.340 -0.000 0.000 0.269 322 L C -2.127 174.821 176.870 0.129 0.000 1.012 322 L CA -2.510 52.397 54.840 0.111 0.000 0.815 322 L CB 2.494 44.622 42.059 0.116 0.000 1.295 322 L HN -0.160 nan 8.230 nan 0.000 0.438 323 P HA 0.050 nan 4.420 nan 0.000 0.271 323 P C -1.230 176.173 177.300 0.172 0.000 1.218 323 P CA 0.105 63.260 63.100 0.093 0.000 0.780 323 P CB 0.498 32.224 31.700 0.042 0.000 0.901 324 F N 2.578 122.514 119.950 -0.022 0.000 2.499 324 F HA 0.393 4.920 4.527 -0.000 0.000 0.333 324 F C -0.197 175.580 175.800 -0.039 0.000 1.138 324 F CA -0.820 57.178 58.000 -0.003 0.000 0.945 324 F CB 1.596 40.591 39.000 -0.007 0.000 1.181 324 F HN 0.051 nan 8.300 nan 0.000 0.435 325 K N 6.782 126.847 120.400 -0.558 0.000 2.211 325 K HA 0.650 4.970 4.320 -0.000 0.000 0.275 325 K C -0.960 175.255 176.600 -0.642 0.000 1.024 325 K CA -0.504 55.512 56.287 -0.450 0.000 0.887 325 K CB 1.102 33.440 32.500 -0.270 0.000 1.084 325 K HN 0.830 nan 8.250 nan 0.000 0.463 326 C N -0.570 118.507 119.300 -0.371 0.000 3.320 326 C HA 0.925 5.385 4.460 -0.000 0.000 0.335 326 C C -1.301 173.626 174.990 -0.104 0.000 1.430 326 C CA -1.105 57.767 59.018 -0.244 0.000 1.271 326 C CB 1.003 28.654 27.740 -0.148 0.000 1.609 326 C HN 0.830 nan 8.230 nan 0.000 0.457 327 A N 0.417 123.200 122.820 -0.061 0.000 2.520 327 A HA 0.769 5.089 4.320 -0.000 0.000 0.298 327 A C -1.430 176.120 177.584 -0.057 0.000 1.051 327 A CA -0.510 51.505 52.037 -0.037 0.000 0.690 327 A CB 0.936 19.907 19.000 -0.049 0.000 1.281 327 A HN 1.087 nan 8.150 nan 0.000 0.402 328 L N 1.951 123.137 121.223 -0.061 0.000 2.278 328 L HA 0.373 4.713 4.340 -0.000 0.000 0.287 328 L C 0.525 177.207 176.870 -0.312 0.000 1.072 328 L CA -0.058 54.627 54.840 -0.259 0.000 0.819 328 L CB 1.129 43.014 42.059 -0.292 0.000 1.176 328 L HN 0.839 nan 8.230 nan 0.000 0.435 329 Q N 3.875 123.429 119.800 -0.411 0.000 2.331 329 Q HA 0.375 4.715 4.340 -0.000 0.000 0.257 329 Q C -1.340 174.387 176.000 -0.454 0.000 0.957 329 Q CA -0.486 55.146 55.803 -0.285 0.000 0.923 329 Q CB 0.698 29.318 28.738 -0.195 0.000 1.212 329 Q HN 0.410 nan 8.270 nan 0.000 0.443 330 F N 2.428 122.197 119.950 -0.301 0.000 2.410 330 F HA 0.413 4.940 4.527 -0.000 0.000 0.349 330 F C 0.464 176.076 175.800 -0.314 0.000 1.117 330 F CA -0.396 57.397 58.000 -0.344 0.000 1.104 330 F CB 1.782 40.520 39.000 -0.437 0.000 1.122 330 F HN 0.416 nan 8.300 nan 0.000 0.483 331 T N -1.176 113.279 114.554 -0.165 0.000 2.903 331 T HA 0.476 4.826 4.350 -0.000 0.000 0.299 331 T C -0.736 173.785 174.700 -0.299 0.000 1.093 331 T CA -1.028 60.941 62.100 -0.217 0.000 1.002 331 T CB 1.015 69.799 68.868 -0.139 0.000 1.127 331 T HN 0.518 nan 8.240 nan 0.000 0.488 332 H N -0.252 118.742 119.070 -0.127 0.000 2.639 332 H HA 0.258 4.814 4.556 -0.000 0.000 0.373 332 H C 0.824 175.987 175.328 -0.275 0.000 1.372 332 H CA -0.073 55.858 56.048 -0.195 0.000 1.448 332 H CB 0.417 30.134 29.762 -0.075 0.000 1.544 332 H HN 0.818 nan 8.280 nan 0.000 0.615 333 H N -0.657 118.401 119.070 -0.020 0.000 2.556 333 H HA -0.046 4.510 4.556 -0.000 0.000 0.268 333 H C 0.373 175.681 175.328 -0.033 0.000 0.996 333 H CA 0.822 56.762 56.048 -0.181 0.000 1.157 333 H CB 0.060 29.419 29.762 -0.671 0.000 1.355 333 H HN 0.635 nan 8.280 nan 0.000 0.597 334 D N -1.937 118.525 120.400 0.103 0.000 2.340 334 D HA 0.151 4.790 4.640 -0.000 0.000 0.217 334 D C 1.722 178.066 176.300 0.074 0.000 1.081 334 D CA 0.460 54.516 54.000 0.092 0.000 0.842 334 D CB 0.500 41.348 40.800 0.081 0.000 0.934 334 D HN 0.233 nan 8.370 nan 0.000 0.511 335 G N 0.417 109.250 108.800 0.056 0.000 2.241 335 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.244 335 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.244 335 G C 0.647 175.563 174.900 0.027 0.000 0.998 335 G CA 0.367 45.487 45.100 0.034 0.000 0.621 335 G HN 0.751 nan 8.290 nan 0.000 0.519 336 T N 0.531 115.123 114.554 0.062 0.000 2.918 336 T HA 0.537 4.887 4.350 -0.000 0.000 0.302 336 T C -2.175 172.534 174.700 0.016 0.000 1.045 336 T CA -1.039 61.103 62.100 0.070 0.000 1.114 336 T CB 1.627 70.574 68.868 0.131 0.000 0.965 336 T HN 0.128 nan 8.240 nan 0.000 0.540 337 P HA 0.294 nan 4.420 nan 0.000 0.264 337 P C -0.898 176.284 177.300 -0.196 0.000 1.183 337 P CA -0.123 62.923 63.100 -0.089 0.000 0.763 337 P CB 0.209 31.879 31.700 -0.050 0.000 0.807 338 A N 3.961 126.567 122.820 -0.356 0.000 2.273 338 A HA 0.364 4.684 4.320 -0.000 0.000 0.320 338 A C -0.054 177.330 177.584 -0.334 0.000 1.358 338 A CA -0.569 51.120 52.037 -0.579 0.000 0.910 338 A CB 0.036 18.544 19.000 -0.819 0.000 1.159 338 A HN 0.400 nan 8.150 nan 0.000 0.526 339 K N 0.946 121.222 120.400 -0.206 0.000 2.098 339 K HA 0.607 4.927 4.320 -0.000 0.000 0.261 339 K C 1.013 177.487 176.600 -0.210 0.000 0.987 339 K CA 0.035 56.211 56.287 -0.185 0.000 0.916 339 K CB 1.082 33.524 32.500 -0.097 0.000 1.039 339 K HN 1.260 nan 8.250 nan 0.000 0.455 340 G N 1.270 109.929 108.800 -0.234 0.000 2.155 340 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 340 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 340 G C -0.084 174.645 174.900 -0.285 0.000 0.983 340 G CA -0.213 44.762 45.100 -0.208 0.000 0.676 340 G HN 0.434 nan 8.290 nan 0.000 0.528 341 I N 2.252 122.531 120.570 -0.485 0.000 2.517 341 I HA 0.427 4.597 4.170 -0.000 0.000 0.285 341 I C 1.066 176.876 176.117 -0.511 0.000 1.106 341 I CA 0.555 61.473 61.300 -0.637 0.000 1.402 341 I CB 1.270 38.601 38.000 -1.114 0.000 1.399 341 I HN 0.403 nan 8.210 nan 0.000 0.535 342 S N 4.538 120.093 115.700 -0.241 0.000 2.578 342 S HA 0.995 5.464 4.470 -0.000 0.000 0.301 342 S C -0.191 174.460 174.600 0.085 0.000 1.091 342 S CA -0.127 58.031 58.200 -0.070 0.000 1.032 342 S CB 2.031 65.198 63.200 -0.055 0.000 1.064 342 S HN 0.982 nan 8.310 nan 0.000 0.508 343 G N 0.815 109.673 108.800 0.098 0.000 2.340 343 G HA2 0.436 4.395 3.960 -0.000 0.000 0.299 343 G HA3 0.436 4.395 3.960 -0.000 0.000 0.299 343 G C -2.079 172.726 174.900 -0.159 0.000 1.291 343 G CA -0.951 44.049 45.100 -0.168 0.000 0.841 343 G HN 0.833 nan 8.290 nan 0.000 0.500 344 K N 0.186 120.370 120.400 -0.359 0.000 2.358 344 K HA 0.663 4.983 4.320 -0.000 0.000 0.260 344 K C -0.717 175.869 176.600 -0.024 0.000 0.956 344 K CA -0.545 55.671 56.287 -0.117 0.000 0.834 344 K CB 1.811 34.260 32.500 -0.085 0.000 1.102 344 K HN 0.341 nan 8.250 nan 0.000 0.431 345 V N 4.465 124.497 119.914 0.197 0.000 2.481 345 V HA 0.354 4.474 4.120 -0.000 0.000 0.286 345 V C -0.511 175.721 176.094 0.231 0.000 1.042 345 V CA -0.413 62.108 62.300 0.368 0.000 0.928 345 V CB 1.144 33.261 31.823 0.489 0.000 0.986 345 V HN 0.937 nan 8.190 nan 0.000 0.462 346 E N 3.320 123.687 120.200 0.279 0.000 2.321 346 E HA 0.682 5.032 4.350 -0.000 0.000 0.278 346 E C -1.947 174.771 176.600 0.198 0.000 0.902 346 E CA -0.906 55.609 56.400 0.191 0.000 0.758 346 E CB 2.339 32.076 29.700 0.061 0.000 1.213 346 E HN 0.241 nan 8.360 nan 0.000 0.426 347 V N 3.125 123.180 119.914 0.234 0.000 2.305 347 V HA 0.117 4.237 4.120 -0.000 0.000 0.275 347 V C 1.102 177.220 176.094 0.041 0.000 1.020 347 V CA 0.033 62.400 62.300 0.112 0.000 0.811 347 V CB 0.751 32.658 31.823 0.141 0.000 1.031 347 V HN 0.924 nan 8.190 nan 0.000 0.439 348 S N 1.545 117.199 115.700 -0.077 0.000 2.428 348 S HA -0.162 4.308 4.470 -0.000 0.000 0.230 348 S C 1.169 175.738 174.600 -0.050 0.000 1.014 348 S CA 1.407 59.565 58.200 -0.072 0.000 0.957 348 S CB -0.255 62.869 63.200 -0.127 0.000 0.784 348 S HN 0.718 nan 8.310 nan 0.000 0.499 349 D N 1.333 121.694 120.400 -0.066 0.000 2.228 349 D HA -0.055 4.585 4.640 -0.000 0.000 0.203 349 D C 1.303 177.579 176.300 -0.039 0.000 0.988 349 D CA 1.235 55.200 54.000 -0.059 0.000 0.864 349 D CB -0.120 40.629 40.800 -0.085 0.000 0.928 349 D HN 0.425 nan 8.370 nan 0.000 0.469 350 V N -0.485 119.420 119.914 -0.015 0.000 3.380 350 V HA 0.183 4.302 4.120 -0.000 0.000 0.307 350 V C 0.200 176.330 176.094 0.060 0.000 1.434 350 V CA -0.284 62.023 62.300 0.012 0.000 1.075 350 V CB -0.386 31.436 31.823 -0.001 0.000 0.954 350 V HN 0.157 nan 8.190 nan 0.000 0.444 351 R N -0.182 120.345 120.500 0.046 0.000 3.416 351 R HA -0.231 4.109 4.340 -0.000 0.000 0.263 351 R C -0.223 176.127 176.300 0.084 0.000 1.053 351 R CA 0.414 56.538 56.100 0.039 0.000 0.705 351 R CB -1.655 28.654 30.300 0.016 0.000 1.124 351 R HN 0.490 nan 8.270 nan 0.000 0.444 352 F N 1.005 120.944 119.950 -0.018 0.000 2.379 352 F HA 0.483 5.009 4.527 -0.000 0.000 0.332 352 F C 0.260 176.068 175.800 0.014 0.000 1.096 352 F CA -0.515 57.486 58.000 0.001 0.000 1.105 352 F CB 1.210 40.214 39.000 0.008 0.000 1.189 352 F HN 0.094 nan 8.300 nan 0.000 0.515 353 E N 3.057 122.601 120.200 -1.093 0.000 2.354 353 E HA 0.326 4.676 4.350 -0.000 0.000 0.283 353 E C -1.898 174.215 176.600 -0.811 0.000 0.938 353 E CA -0.607 55.370 56.400 -0.704 0.000 0.777 353 E CB 2.063 31.580 29.700 -0.304 0.000 1.222 353 E HN 0.710 nan 8.360 nan 0.000 0.423 354 T N 1.781 116.078 114.554 -0.429 0.000 3.193 354 T HA 0.361 4.711 4.350 -0.000 0.000 0.332 354 T C -1.523 173.155 174.700 -0.037 0.000 1.208 354 T CA -0.354 61.627 62.100 -0.198 0.000 1.080 354 T CB 1.488 70.303 68.868 -0.088 0.000 1.180 354 T HN 0.267 nan 8.240 nan 0.000 0.469 355 T N 4.174 118.710 114.554 -0.031 0.000 2.874 355 T HA 0.642 4.992 4.350 -0.000 0.000 0.321 355 T C -0.263 174.445 174.700 0.013 0.000 1.075 355 T CA -0.417 61.682 62.100 -0.002 0.000 0.966 355 T CB 1.061 69.914 68.868 -0.024 0.000 1.001 355 T HN 0.725 nan 8.240 nan 0.000 0.476 356 T N 1.564 116.145 114.554 0.045 0.000 2.754 356 T HA 0.740 5.090 4.350 -0.000 0.000 0.296 356 T C -0.970 173.733 174.700 0.006 0.000 1.205 356 T CA -0.548 61.567 62.100 0.026 0.000 1.009 356 T CB 1.705 70.597 68.868 0.039 0.000 1.368 356 T HN 0.609 nan 8.240 nan 0.000 0.509 357 T N -0.038 114.485 114.554 -0.053 0.000 2.885 357 T HA 0.666 5.015 4.350 -0.000 0.000 0.285 357 T C 0.155 174.726 174.700 -0.215 0.000 1.019 357 T CA -0.470 61.542 62.100 -0.147 0.000 1.010 357 T CB 1.106 69.890 68.868 -0.140 0.000 1.022 357 T HN 0.892 nan 8.240 nan 0.000 0.466 358 S N 2.153 117.593 115.700 -0.433 0.000 2.546 358 S HA 0.203 4.673 4.470 -0.000 0.000 0.290 358 S C 0.199 174.651 174.600 -0.247 0.000 1.290 358 S CA -0.649 57.283 58.200 -0.445 0.000 1.069 358 S CB -0.290 62.403 63.200 -0.846 0.000 0.846 358 S HN 0.938 nan 8.310 nan 0.000 0.495 359 D N 1.591 121.903 120.400 -0.147 0.000 2.380 359 D HA 0.014 4.654 4.640 -0.000 0.000 0.254 359 D C 0.996 177.239 176.300 -0.096 0.000 1.288 359 D CA -0.521 53.420 54.000 -0.098 0.000 1.008 359 D CB -0.061 40.703 40.800 -0.059 0.000 1.099 359 D HN 0.538 nan 8.370 nan 0.000 0.537 360 N N -0.807 117.852 118.700 -0.069 0.000 2.272 360 N HA -0.185 4.555 4.740 -0.000 0.000 0.185 360 N C 0.529 176.007 175.510 -0.053 0.000 1.014 360 N CA 1.365 54.380 53.050 -0.058 0.000 0.870 360 N CB -0.095 38.366 38.487 -0.042 0.000 0.975 360 N HN 0.336 nan 8.380 nan 0.000 0.433 361 D N -1.165 119.204 120.400 -0.052 0.000 2.340 361 D HA 0.133 4.772 4.640 -0.000 0.000 0.220 361 D C 0.931 177.200 176.300 -0.052 0.000 1.039 361 D CA 0.773 54.746 54.000 -0.045 0.000 0.866 361 D CB -0.017 40.761 40.800 -0.038 0.000 0.913 361 D HN 0.432 nan 8.370 nan 0.000 0.523 362 G N 1.186 109.942 108.800 -0.073 0.000 2.136 362 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 362 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 362 G C 0.166 175.081 174.900 0.024 0.000 0.989 362 G CA -0.024 45.032 45.100 -0.072 0.000 0.682 362 G HN 0.295 nan 8.290 nan 0.000 0.522 363 L N -0.248 120.974 121.223 -0.002 0.000 2.334 363 L HA 0.730 5.070 4.340 -0.000 0.000 0.272 363 L C 0.515 177.411 176.870 0.043 0.000 1.020 363 L CA -1.183 53.680 54.840 0.039 0.000 0.812 363 L CB 1.842 43.897 42.059 -0.006 0.000 1.264 363 L HN 0.012 nan 8.230 nan 0.000 0.439 364 I N 2.524 123.160 120.570 0.109 0.000 2.405 364 I HA 0.239 4.409 4.170 -0.000 0.000 0.280 364 I C -0.195 175.969 176.117 0.078 0.000 1.027 364 I CA -0.535 60.824 61.300 0.099 0.000 1.161 364 I CB 1.144 39.252 38.000 0.181 0.000 1.300 364 I HN 0.483 nan 8.210 nan 0.000 0.463 365 K N 7.061 127.488 120.400 0.046 0.000 2.298 365 K HA 0.550 4.870 4.320 -0.000 0.000 0.280 365 K C -0.837 175.784 176.600 0.035 0.000 1.032 365 K CA -0.276 56.022 56.287 0.018 0.000 0.958 365 K CB 1.272 33.770 32.500 -0.004 0.000 0.978 365 K HN 0.485 nan 8.250 nan 0.000 0.472 366 L N 2.162 123.379 121.223 -0.010 0.000 2.386 366 L HA 0.343 4.683 4.340 -0.000 0.000 0.271 366 L C -0.364 176.437 176.870 -0.115 0.000 0.993 366 L CA -0.597 54.211 54.840 -0.054 0.000 0.819 366 L CB 2.037 44.063 42.059 -0.056 0.000 1.294 366 L HN 0.651 nan 8.230 nan 0.000 0.414 367 E N 4.144 124.256 120.200 -0.147 0.000 2.207 367 E HA 0.470 4.819 4.350 -0.000 0.000 0.250 367 E C -1.392 175.086 176.600 -0.203 0.000 0.890 367 E CA -0.477 55.845 56.400 -0.131 0.000 0.749 367 E CB 1.075 30.733 29.700 -0.071 0.000 1.193 367 E HN 0.490 nan 8.360 nan 0.000 0.423 368 L N 2.568 123.689 121.223 -0.171 0.000 2.399 368 L HA 0.400 4.740 4.340 -0.000 0.000 0.265 368 L C 0.282 177.097 176.870 -0.092 0.000 1.089 368 L CA -0.784 53.925 54.840 -0.220 0.000 0.802 368 L CB 1.371 43.317 42.059 -0.189 0.000 1.180 368 L HN 0.424 nan 8.230 nan 0.000 0.454 369 Q N 2.900 122.639 119.800 -0.103 0.000 2.674 369 Q HA 0.322 4.662 4.340 -0.000 0.000 0.249 369 Q C -2.426 173.530 176.000 -0.074 0.000 1.011 369 Q CA -1.669 54.104 55.803 -0.051 0.000 0.734 369 Q CB 1.709 30.438 28.738 -0.015 0.000 1.201 369 Q HN 0.302 nan 8.270 nan 0.000 0.498 370 P HA 0.040 nan 4.420 nan 0.000 0.271 370 P C -0.064 177.228 177.300 -0.013 0.000 1.220 370 P CA 0.121 63.137 63.100 -0.140 0.000 0.768 370 P CB 0.900 32.417 31.700 -0.305 0.000 0.848 371 S N 1.782 117.481 115.700 -0.001 0.000 2.632 371 S HA 0.135 4.605 4.470 -0.000 0.000 0.267 371 S C 1.189 175.825 174.600 0.060 0.000 1.276 371 S CA -0.383 57.834 58.200 0.028 0.000 0.998 371 S CB 0.778 63.988 63.200 0.017 0.000 0.953 371 S HN 0.314 nan 8.310 nan 0.000 0.547 372 E N 1.569 121.803 120.200 0.057 0.000 2.130 372 E HA -0.020 4.330 4.350 -0.000 0.000 0.196 372 E C 2.181 178.817 176.600 0.061 0.000 0.998 372 E CA 1.515 57.952 56.400 0.063 0.000 0.806 372 E CB -1.008 28.715 29.700 0.039 0.000 0.738 372 E HN 0.848 nan 8.360 nan 0.000 0.459 373 G N 0.693 109.519 108.800 0.044 0.000 2.513 373 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 373 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 373 G C 0.722 175.655 174.900 0.054 0.000 1.160 373 G CA 1.259 46.381 45.100 0.037 0.000 0.767 373 G HN 0.253 nan 8.290 nan 0.000 0.571 374 T N 1.624 116.217 114.554 0.064 0.000 2.822 374 T HA 0.112 4.462 4.350 -0.000 0.000 0.288 374 T C 1.082 175.894 174.700 0.187 0.000 0.991 374 T CA 0.231 62.375 62.100 0.074 0.000 1.176 374 T CB 1.203 70.069 68.868 -0.004 0.000 0.951 374 T HN 0.210 nan 8.240 nan 0.000 0.526 375 E N 1.912 122.199 120.200 0.145 0.000 2.127 375 E HA 0.022 4.372 4.350 -0.000 0.000 0.191 375 E C 1.041 177.801 176.600 0.267 0.000 0.964 375 E CA 0.765 57.260 56.400 0.158 0.000 0.832 375 E CB 0.376 30.116 29.700 0.067 0.000 0.790 375 E HN 0.898 nan 8.360 nan 0.000 0.465 376 Q N -0.604 119.317 119.800 0.202 0.000 2.565 376 Q HA 0.547 4.887 4.340 -0.000 0.000 0.294 376 Q C -1.273 174.712 176.000 -0.026 0.000 1.005 376 Q CA -0.692 55.242 55.803 0.218 0.000 0.771 376 Q CB 1.298 30.110 28.738 0.125 0.000 1.486 376 Q HN -0.081 nan 8.270 nan 0.000 0.422 377 L N 1.711 122.874 121.223 -0.099 0.000 2.316 377 L HA 0.466 4.806 4.340 -0.000 0.000 0.280 377 L C -0.851 175.984 176.870 -0.057 0.000 1.006 377 L CA -0.697 54.029 54.840 -0.190 0.000 0.836 377 L CB 2.093 43.921 42.059 -0.386 0.000 1.221 377 L HN 0.641 nan 8.230 nan 0.000 0.418 378 S N 4.649 120.317 115.700 -0.052 0.000 2.399 378 S HA 0.488 4.958 4.470 -0.000 0.000 0.301 378 S C 0.044 174.668 174.600 0.040 0.000 1.093 378 S CA -0.354 57.839 58.200 -0.012 0.000 1.077 378 S CB 0.143 63.273 63.200 -0.116 0.000 0.980 378 S HN 0.358 nan 8.310 nan 0.000 0.494 379 I N 4.806 125.502 120.570 0.210 0.000 2.287 379 I HA 0.253 4.422 4.170 -0.000 0.000 0.290 379 I C -0.335 176.120 176.117 0.563 0.000 1.069 379 I CA -0.459 61.034 61.300 0.322 0.000 1.237 379 I CB 0.265 38.449 38.000 0.307 0.000 1.418 379 I HN 0.480 nan 8.210 nan 0.000 0.481 380 H N 5.733 124.994 119.070 0.318 0.000 2.472 380 H HA 0.500 5.055 4.556 -0.000 0.000 0.338 380 H C -1.158 174.509 175.328 0.565 0.000 1.133 380 H CA -0.854 55.480 56.048 0.476 0.000 1.216 380 H CB 1.651 31.541 29.762 0.215 0.000 1.497 380 H HN 0.422 nan 8.280 nan 0.000 0.500 381 F N 2.772 123.076 119.950 0.589 0.000 2.547 381 F HA 0.438 4.965 4.527 -0.000 0.000 0.316 381 F C -1.244 174.820 175.800 0.440 0.000 1.121 381 F CA -0.492 57.794 58.000 0.476 0.000 0.911 381 F CB 1.216 40.507 39.000 0.484 0.000 1.179 381 F HN 0.408 nan 8.300 nan 0.000 0.443 382 N N 4.670 123.170 118.700 -0.333 0.000 2.410 382 N HA 0.624 5.364 4.740 -0.000 0.000 0.287 382 N C -1.414 173.879 175.510 -0.362 0.000 1.044 382 N CA -0.479 52.493 53.050 -0.131 0.000 0.881 382 N CB 2.191 40.708 38.487 0.050 0.000 1.405 382 N HN 0.715 nan 8.380 nan 0.000 0.490 383 A N 0.803 123.603 122.820 -0.034 0.000 2.320 383 A HA 0.429 4.749 4.320 -0.000 0.000 0.334 383 A C 1.389 179.051 177.584 0.129 0.000 1.147 383 A CA -0.704 51.364 52.037 0.053 0.000 0.820 383 A CB 0.657 19.838 19.000 0.302 0.000 1.218 383 A HN 0.483 nan 8.150 nan 0.000 0.482 384 V N -0.861 119.114 119.914 0.102 0.000 2.867 384 V HA -0.141 3.979 4.120 -0.000 0.000 0.260 384 V C 1.268 177.461 176.094 0.165 0.000 1.099 384 V CA 2.350 64.715 62.300 0.108 0.000 1.122 384 V CB -1.116 30.751 31.823 0.074 0.000 0.708 384 V HN 0.852 nan 8.190 nan 0.000 0.490 385 D N 0.729 121.269 120.400 0.234 0.000 2.378 385 D HA 0.193 4.833 4.640 -0.000 0.000 0.227 385 D C 1.700 178.237 176.300 0.395 0.000 1.012 385 D CA 0.911 55.097 54.000 0.311 0.000 0.905 385 D CB -0.161 40.877 40.800 0.397 0.000 0.895 385 D HN 0.907 nan 8.370 nan 0.000 0.532 386 G N -0.446 108.550 108.800 0.327 0.000 2.213 386 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.236 386 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.236 386 G C 0.050 175.179 174.900 0.381 0.000 0.991 386 G CA -0.111 45.191 45.100 0.336 0.000 0.629 386 G HN 0.428 nan 8.290 nan 0.000 0.517 387 F N 2.286 122.276 119.950 0.068 0.000 2.572 387 F HA 0.525 5.052 4.527 -0.000 0.000 0.370 387 F C 0.367 176.232 175.800 0.110 0.000 1.103 387 F CA 0.116 57.939 58.000 -0.294 0.000 1.286 387 F CB 0.203 38.864 39.000 -0.565 0.000 1.105 387 F HN 0.374 nan 8.300 nan 0.000 0.583 388 F N 5.804 125.286 119.950 -0.780 0.000 2.608 388 F HA 0.618 5.145 4.527 -0.000 0.000 0.309 388 F C -2.232 173.084 175.800 -0.806 0.000 1.103 388 F CA -1.967 55.702 58.000 -0.552 0.000 0.954 388 F CB 0.944 39.641 39.000 -0.505 0.000 1.267 388 F HN 0.412 nan 8.300 nan 0.000 0.444 389 F N 4.170 123.817 119.950 -0.506 0.000 2.561 389 F HA 0.731 5.258 4.527 -0.000 0.000 0.313 389 F C -2.215 173.506 175.800 -0.132 0.000 1.126 389 F CA -1.175 56.558 58.000 -0.444 0.000 0.918 389 F CB 1.586 40.510 39.000 -0.126 0.000 1.199 389 F HN 0.579 nan 8.300 nan 0.000 0.444 390 Y N 4.096 123.925 120.300 -0.785 0.000 2.406 390 Y HA 0.502 5.052 4.550 -0.000 0.000 0.340 390 Y C -0.650 174.789 175.900 -0.768 0.000 0.975 390 Y CA -1.054 56.713 58.100 -0.555 0.000 1.056 390 Y CB 2.194 40.424 38.460 -0.383 0.000 1.210 390 Y HN 0.606 nan 8.280 nan 0.000 0.448 391 E N 2.114 122.180 120.200 -0.223 0.000 2.308 391 E HA 0.248 4.598 4.350 -0.000 0.000 0.275 391 E C -1.914 174.731 176.600 0.075 0.000 0.890 391 E CA -0.811 55.533 56.400 -0.094 0.000 0.754 391 E CB 1.521 31.216 29.700 -0.008 0.000 1.207 391 E HN 0.558 nan 8.360 nan 0.000 0.426 392 D N 2.343 122.782 120.400 0.064 0.000 2.210 392 D HA 0.277 4.916 4.640 -0.000 0.000 0.249 392 D C -0.725 175.623 176.300 0.080 0.000 1.078 392 D CA -0.234 53.810 54.000 0.073 0.000 0.875 392 D CB 1.889 42.724 40.800 0.058 0.000 1.175 392 D HN 0.090 nan 8.370 nan 0.000 0.440 393 V N 3.266 123.223 119.914 0.072 0.000 2.398 393 V HA 0.286 4.405 4.120 -0.000 0.000 0.286 393 V C 0.290 176.480 176.094 0.160 0.000 1.026 393 V CA -0.806 61.540 62.300 0.077 0.000 0.868 393 V CB 1.238 33.031 31.823 -0.051 0.000 0.982 393 V HN 0.398 nan 8.190 nan 0.000 0.443 394 N N 2.967 121.729 118.700 0.103 0.000 2.476 394 N HA 0.478 5.218 4.740 -0.000 0.000 0.275 394 N C -0.356 174.979 175.510 -0.292 0.000 1.190 394 N CA -1.017 52.048 53.050 0.024 0.000 0.977 394 N CB 1.122 39.594 38.487 -0.025 0.000 1.200 394 N HN 0.739 nan 8.380 nan 0.000 0.515 395 K N -0.489 119.544 120.400 -0.612 0.000 2.126 395 K HA 0.310 4.630 4.320 -0.000 0.000 0.257 395 K C -0.641 175.653 176.600 -0.511 0.000 1.007 395 K CA -0.745 54.876 56.287 -1.110 0.000 0.928 395 K CB 0.650 32.574 32.500 -0.960 0.000 1.013 395 K HN 0.097 nan 8.250 nan 0.000 0.473 396 V N 2.118 121.767 119.914 -0.441 0.000 2.540 396 V HA -0.022 4.098 4.120 -0.000 0.000 0.297 396 V C -0.035 175.951 176.094 -0.180 0.000 1.024 396 V CA 0.277 62.443 62.300 -0.224 0.000 1.105 396 V CB 0.279 31.989 31.823 -0.188 0.000 0.938 396 V HN 0.780 nan 8.190 nan 0.000 0.482 397 E N 3.027 123.154 120.200 -0.122 0.000 2.114 397 E HA 0.340 4.690 4.350 -0.000 0.000 0.266 397 E C 0.994 177.550 176.600 -0.072 0.000 0.896 397 E CA -0.167 56.179 56.400 -0.091 0.000 0.750 397 E CB 1.542 31.200 29.700 -0.070 0.000 1.121 397 E HN 0.722 nan 8.360 nan 0.000 0.413 398 T N 2.288 116.798 114.554 -0.074 0.000 2.714 398 T HA -0.187 4.162 4.350 -0.000 0.000 0.268 398 T C 1.659 176.330 174.700 -0.048 0.000 1.036 398 T CA 1.713 63.772 62.100 -0.068 0.000 1.148 398 T CB -0.047 68.786 68.868 -0.059 0.000 0.856 398 T HN 0.324 nan 8.240 nan 0.000 0.462 399 V N 1.539 121.433 119.914 -0.034 0.000 2.427 399 V HA -0.122 3.997 4.120 -0.000 0.000 0.248 399 V C 2.584 178.669 176.094 -0.015 0.000 1.051 399 V CA 2.031 64.318 62.300 -0.020 0.000 1.048 399 V CB -1.018 30.797 31.823 -0.014 0.000 0.666 399 V HN 0.773 nan 8.190 nan 0.000 0.456 400 T N -5.058 109.486 114.554 -0.016 0.000 2.966 400 T HA 0.122 4.472 4.350 -0.000 0.000 0.254 400 T C 1.031 175.734 174.700 0.004 0.000 0.961 400 T CA 0.221 62.319 62.100 -0.003 0.000 0.915 400 T CB 0.263 69.132 68.868 0.002 0.000 1.186 400 T HN 0.352 nan 8.240 nan 0.000 0.505 401 D N 1.874 122.269 120.400 -0.008 0.000 2.423 401 D HA 0.404 5.043 4.640 -0.000 0.000 0.208 401 D C 1.052 177.365 176.300 0.022 0.000 1.068 401 D CA 0.084 54.093 54.000 0.015 0.000 0.860 401 D CB 0.211 41.005 40.800 -0.010 0.000 0.992 401 D HN 0.589 nan 8.370 nan 0.000 0.504 402 A N 1.088 123.878 122.820 -0.049 0.000 2.565 402 A HA 0.280 4.600 4.320 -0.000 0.000 0.237 402 A C -0.287 177.267 177.584 -0.051 0.000 1.053 402 A CA 0.318 52.278 52.037 -0.129 0.000 0.755 402 A CB -0.548 18.375 19.000 -0.128 0.000 0.980 402 A HN 0.299 nan 8.150 nan 0.000 0.506 403 Y N -0.481 119.776 120.300 -0.072 0.000 2.638 403 Y HA 0.800 5.350 4.550 -0.000 0.000 0.339 403 Y C -0.837 175.007 175.900 -0.094 0.000 1.084 403 Y CA -1.623 56.426 58.100 -0.086 0.000 1.068 403 Y CB 1.489 39.910 38.460 -0.064 0.000 1.294 403 Y HN 0.598 nan 8.280 nan 0.000 0.480 404 I N 2.677 123.340 120.570 0.155 0.000 2.533 404 I HA 0.449 4.619 4.170 -0.000 0.000 0.290 404 I C -1.603 174.587 176.117 0.122 0.000 1.056 404 I CA -0.890 60.448 61.300 0.062 0.000 1.057 404 I CB 1.768 39.726 38.000 -0.070 0.000 1.240 404 I HN 0.905 nan 8.210 nan 0.000 0.423 405 K N 6.384 126.849 120.400 0.108 0.000 2.328 405 K HA 0.710 5.030 4.320 -0.000 0.000 0.246 405 K C -1.788 174.812 176.600 -0.001 0.000 0.955 405 K CA -0.934 55.383 56.287 0.050 0.000 0.817 405 K CB 2.589 35.114 32.500 0.040 0.000 1.208 405 K HN 0.384 nan 8.250 nan 0.000 0.432 406 L N 0.823 122.043 121.223 -0.006 0.000 2.346 406 L HA 0.470 4.809 4.340 -0.000 0.000 0.276 406 L C -1.309 175.581 176.870 0.032 0.000 1.006 406 L CA -0.100 54.742 54.840 0.004 0.000 0.817 406 L CB 1.800 43.846 42.059 -0.020 0.000 1.272 406 L HN 0.945 nan 8.230 nan 0.000 0.421 407 E N 3.693 123.948 120.200 0.092 0.000 2.281 407 E HA 0.287 4.637 4.350 -0.000 0.000 0.266 407 E C -1.633 175.038 176.600 0.119 0.000 0.893 407 E CA -0.890 55.553 56.400 0.071 0.000 0.798 407 E CB 1.720 31.434 29.700 0.025 0.000 1.245 407 E HN 0.612 nan 8.360 nan 0.000 0.410 408 L N 4.750 126.023 121.223 0.083 0.000 2.477 408 L HA 0.144 4.484 4.340 -0.000 0.000 0.272 408 L C 0.579 177.382 176.870 -0.112 0.000 1.157 408 L CA 0.632 55.449 54.840 -0.039 0.000 0.889 408 L CB 0.511 42.542 42.059 -0.048 0.000 1.158 408 L HN 0.517 nan 8.230 nan 0.000 0.473 409 K N 2.109 122.390 120.400 -0.197 0.000 2.354 409 K HA 0.250 4.570 4.320 -0.000 0.000 0.194 409 K C -0.013 176.494 176.600 -0.155 0.000 1.045 409 K CA 0.570 56.770 56.287 -0.145 0.000 1.026 409 K CB 0.280 32.706 32.500 -0.123 0.000 0.866 409 K HN 0.786 nan 8.250 nan 0.000 0.530 410 S N 0.386 115.958 115.700 -0.213 0.000 2.579 410 S HA 0.653 5.123 4.470 -0.000 0.000 0.272 410 S C -3.036 171.451 174.600 -0.188 0.000 1.141 410 S CA -1.432 56.662 58.200 -0.176 0.000 0.843 410 S CB 2.354 65.448 63.200 -0.177 0.000 1.122 410 S HN -0.230 nan 8.310 nan 0.000 0.468 411 P HA 0.512 nan 4.420 nan 0.000 0.274 411 P C -1.004 176.197 177.300 -0.165 0.000 1.256 411 P CA -0.631 62.388 63.100 -0.136 0.000 0.795 411 P CB 0.304 31.951 31.700 -0.089 0.000 1.038 412 I N 0.918 121.372 120.570 -0.193 0.000 2.328 412 I HA 0.302 4.472 4.170 -0.000 0.000 0.287 412 I C 0.471 176.479 176.117 -0.181 0.000 1.012 412 I CA -0.237 60.891 61.300 -0.286 0.000 1.195 412 I CB 0.637 38.334 38.000 -0.505 0.000 1.350 412 I HN 0.115 nan 8.210 nan 0.000 0.464 413 K N 5.286 125.675 120.400 -0.019 0.000 2.395 413 K HA 0.540 4.860 4.320 -0.000 0.000 0.247 413 K C 0.545 177.327 176.600 0.304 0.000 0.973 413 K CA -1.028 55.355 56.287 0.159 0.000 0.828 413 K CB 2.140 34.685 32.500 0.075 0.000 1.272 413 K HN 0.343 nan 8.250 nan 0.000 0.439 414 R N 0.995 121.671 120.500 0.293 0.000 2.273 414 R HA -0.228 4.112 4.340 -0.000 0.000 0.229 414 R C 0.348 176.737 176.300 0.148 0.000 1.104 414 R CA 1.990 58.196 56.100 0.178 0.000 0.870 414 R CB -0.667 29.682 30.300 0.082 0.000 0.894 414 R HN 0.580 nan 8.270 nan 0.000 0.421 415 N N 0.845 119.604 118.700 0.100 0.000 2.699 415 N HA 0.130 4.869 4.740 -0.000 0.000 0.317 415 N C -0.943 174.608 175.510 0.067 0.000 1.661 415 N CA 0.019 53.115 53.050 0.077 0.000 0.979 415 N CB 0.770 39.286 38.487 0.049 0.000 1.329 415 N HN 0.039 nan 8.380 nan 0.000 0.497 416 K N -0.022 120.426 120.400 0.080 0.000 2.400 416 K HA 0.458 4.778 4.320 -0.000 0.000 0.246 416 K C -0.200 176.421 176.600 0.035 0.000 0.995 416 K CA -0.749 55.565 56.287 0.044 0.000 0.840 416 K CB 2.031 34.547 32.500 0.026 0.000 1.293 416 K HN 0.044 nan 8.250 nan 0.000 0.445 417 L N 2.150 123.376 121.223 0.004 0.000 2.416 417 L HA 0.247 4.587 4.340 -0.000 0.000 0.272 417 L C 0.211 177.038 176.870 -0.071 0.000 1.161 417 L CA -0.101 54.731 54.840 -0.013 0.000 0.845 417 L CB 0.277 42.324 42.059 -0.021 0.000 1.119 417 L HN 0.380 nan 8.230 nan 0.000 0.464 418 M N 4.123 123.671 119.600 -0.087 0.000 2.209 418 M HA 0.393 4.873 4.480 -0.000 0.000 0.355 418 M C -0.501 175.552 176.300 -0.412 0.000 1.171 418 M CA -0.020 55.115 55.300 -0.274 0.000 1.069 418 M CB 1.343 33.838 32.600 -0.174 0.000 1.622 418 M HN 0.401 nan 8.290 nan 0.000 0.459 419 R N 2.795 122.913 120.500 -0.636 0.000 2.480 419 R HA 0.680 5.020 4.340 -0.000 0.000 0.306 419 R C -1.650 174.230 176.300 -0.701 0.000 0.958 419 R CA -0.412 55.407 56.100 -0.469 0.000 0.861 419 R CB 1.482 31.636 30.300 -0.243 0.000 1.171 419 R HN 0.487 nan 8.270 nan 0.000 0.445 420 F N 1.797 121.733 119.950 -0.023 0.000 2.565 420 F HA 0.432 4.959 4.527 -0.000 0.000 0.313 420 F C -0.022 175.775 175.800 -0.006 0.000 1.091 420 F CA -1.203 56.787 58.000 -0.017 0.000 0.915 420 F CB 1.878 40.875 39.000 -0.004 0.000 1.208 420 F HN 0.220 nan 8.300 nan 0.000 0.453 421 M N 3.663 123.354 119.600 0.152 0.000 2.063 421 M HA 0.481 4.961 4.480 -0.000 0.000 0.348 421 M C -1.439 174.898 176.300 0.062 0.000 1.180 421 M CA -0.515 54.835 55.300 0.083 0.000 1.059 421 M CB 0.691 33.310 32.600 0.031 0.000 1.544 421 M HN 0.325 nan 8.290 nan 0.000 0.447 422 V N 5.273 125.199 119.914 0.020 0.000 2.432 422 V HA 0.419 4.539 4.120 -0.000 0.000 0.271 422 V C 0.147 176.173 176.094 -0.114 0.000 1.046 422 V CA -0.275 61.939 62.300 -0.143 0.000 0.945 422 V CB 0.874 32.402 31.823 -0.491 0.000 0.992 422 V HN 0.860 nan 8.190 nan 0.000 0.471 423 T N 4.551 119.057 114.554 -0.080 0.000 2.807 423 T HA 0.447 4.797 4.350 -0.000 0.000 0.279 423 T C -0.551 174.110 174.700 -0.064 0.000 0.993 423 T CA -0.279 61.797 62.100 -0.041 0.000 0.970 423 T CB 1.367 70.254 68.868 0.033 0.000 0.950 423 T HN 0.805 nan 8.240 nan 0.000 0.441 424 C N 2.657 121.884 119.300 -0.122 0.000 2.667 424 C HA 0.639 5.099 4.460 -0.000 0.000 0.323 424 C C 2.163 176.996 174.990 -0.262 0.000 1.214 424 C CA -0.225 58.674 59.018 -0.199 0.000 1.721 424 C CB 1.077 28.691 27.740 -0.210 0.000 2.275 424 C HN 1.077 nan 8.230 nan 0.000 0.491 425 T N -0.060 114.234 114.554 -0.434 0.000 2.942 425 T HA 0.050 4.400 4.350 -0.000 0.000 0.265 425 T C 0.357 174.917 174.700 -0.233 0.000 1.062 425 T CA 0.899 62.749 62.100 -0.416 0.000 1.139 425 T CB -0.143 68.381 68.868 -0.573 0.000 0.883 425 T HN 0.662 nan 8.240 nan 0.000 0.468 426 E N 1.338 121.415 120.200 -0.204 0.000 2.277 426 E HA 0.438 4.788 4.350 -0.000 0.000 0.274 426 E C -0.307 176.234 176.600 -0.099 0.000 1.022 426 E CA -0.715 55.605 56.400 -0.134 0.000 0.853 426 E CB 0.780 30.404 29.700 -0.128 0.000 1.086 426 E HN 0.294 nan 8.360 nan 0.000 0.397 427 R N 2.813 123.279 120.500 -0.057 0.000 2.345 427 R HA 0.156 4.496 4.340 -0.000 0.000 0.331 427 R C 0.035 176.326 176.300 -0.014 0.000 1.067 427 R CA 0.071 56.157 56.100 -0.024 0.000 0.962 427 R CB 0.020 30.319 30.300 -0.002 0.000 0.987 427 R HN 0.381 nan 8.270 nan 0.000 0.451 428 M N 1.822 121.410 119.600 -0.020 0.000 2.228 428 M HA 0.032 4.512 4.480 -0.000 0.000 0.351 428 M C 0.963 177.295 176.300 0.053 0.000 1.233 428 M CA 0.440 55.723 55.300 -0.029 0.000 1.129 428 M CB 1.185 33.749 32.600 -0.059 0.000 1.604 428 M HN 0.524 nan 8.290 nan 0.000 0.457 429 T N 1.587 116.206 114.554 0.107 0.000 3.037 429 T HA 0.230 4.580 4.350 -0.000 0.000 0.251 429 T C -0.242 174.643 174.700 0.307 0.000 1.079 429 T CA 0.237 62.460 62.100 0.204 0.000 1.067 429 T CB -0.050 68.960 68.868 0.237 0.000 0.948 429 T HN 0.665 nan 8.240 nan 0.000 0.496 430 F N 0.784 120.740 119.950 0.010 0.000 2.741 430 F HA 0.718 5.245 4.527 -0.000 0.000 0.313 430 F C -2.099 173.646 175.800 -0.091 0.000 1.153 430 F CA -2.864 55.061 58.000 -0.125 0.000 0.931 430 F CB 1.013 39.899 39.000 -0.189 0.000 1.335 430 F HN 0.029 nan 8.300 nan 0.000 0.460 431 F N -0.433 119.161 119.950 -0.594 0.000 2.741 431 F HA 0.836 5.363 4.527 -0.000 0.000 0.311 431 F C -2.404 173.134 175.800 -0.437 0.000 1.149 431 F CA -1.464 56.142 58.000 -0.656 0.000 0.930 431 F CB 1.069 39.785 39.000 -0.473 0.000 1.312 431 F HN 0.500 nan 8.300 nan 0.000 0.450 432 V N 1.958 121.688 119.914 -0.307 0.000 2.769 432 V HA 0.595 4.715 4.120 -0.000 0.000 0.312 432 V C -1.127 174.820 176.094 -0.245 0.000 1.061 432 V CA -0.877 61.147 62.300 -0.460 0.000 0.931 432 V CB 1.867 33.449 31.823 -0.401 0.000 1.010 432 V HN 0.947 nan 8.190 nan 0.000 0.433 433 Y N 2.062 122.099 120.300 -0.439 0.000 2.562 433 Y HA 0.890 5.440 4.550 -0.000 0.000 0.343 433 Y C -1.647 173.958 175.900 -0.493 0.000 1.025 433 Y CA -1.487 56.449 58.100 -0.274 0.000 1.082 433 Y CB 1.608 40.008 38.460 -0.100 0.000 1.264 433 Y HN 0.517 nan 8.280 nan 0.000 0.478 434 Y N 1.865 122.270 120.300 0.174 0.000 2.492 434 Y HA 0.586 5.136 4.550 -0.000 0.000 0.346 434 Y C -0.975 175.037 175.900 0.187 0.000 0.997 434 Y CA -1.447 56.711 58.100 0.096 0.000 1.025 434 Y CB 2.212 40.697 38.460 0.041 0.000 1.263 434 Y HN 0.719 nan 8.280 nan 0.000 0.454 435 V N 5.420 125.528 119.914 0.323 0.000 2.531 435 V HA 0.764 4.884 4.120 -0.000 0.000 0.301 435 V C -1.174 175.024 176.094 0.173 0.000 1.034 435 V CA -0.760 61.684 62.300 0.239 0.000 0.865 435 V CB 1.412 33.376 31.823 0.235 0.000 0.995 435 V HN 0.743 nan 8.190 nan 0.000 0.424 436 M N 4.332 124.015 119.600 0.139 0.000 2.465 436 M HA 0.757 5.237 4.480 -0.000 0.000 0.316 436 M C -0.778 175.580 176.300 0.096 0.000 1.121 436 M CA -0.567 54.791 55.300 0.096 0.000 0.934 436 M CB 1.031 33.667 32.600 0.060 0.000 1.692 436 M HN 0.658 nan 8.290 nan 0.000 0.444 437 S N 1.646 117.392 115.700 0.077 0.000 2.575 437 S HA 0.521 4.991 4.470 -0.000 0.000 0.278 437 S C -0.824 173.804 174.600 0.046 0.000 1.139 437 S CA -0.527 57.712 58.200 0.066 0.000 0.954 437 S CB 0.853 64.094 63.200 0.069 0.000 1.054 437 S HN 0.770 nan 8.310 nan 0.000 0.483 438 K N 2.919 123.341 120.400 0.037 0.000 3.244 438 K HA -0.165 4.154 4.320 -0.000 0.000 0.270 438 K C 0.714 177.343 176.600 0.049 0.000 1.016 438 K CA 0.605 56.911 56.287 0.031 0.000 0.754 438 K CB -2.061 30.450 32.500 0.018 0.000 1.326 438 K HN 1.505 nan 8.250 nan 0.000 0.465 439 G N 0.286 109.127 108.800 0.068 0.000 2.341 439 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.292 439 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.292 439 G C -0.279 174.650 174.900 0.049 0.000 1.021 439 G CA 0.727 45.869 45.100 0.070 0.000 0.905 439 G HN 0.623 nan 8.290 nan 0.000 0.508 440 N N -1.041 117.678 118.700 0.032 0.000 2.277 440 N HA 0.500 5.240 4.740 -0.000 0.000 0.286 440 N C 0.013 175.524 175.510 0.001 0.000 1.140 440 N CA -1.029 52.019 53.050 -0.003 0.000 0.799 440 N CB 1.065 39.559 38.487 0.011 0.000 1.596 440 N HN 0.112 nan 8.380 nan 0.000 0.473 441 I N 3.716 124.265 120.570 -0.035 0.000 2.483 441 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 441 I C 1.063 177.202 176.117 0.036 0.000 1.112 441 I CA -0.055 61.252 61.300 0.012 0.000 1.350 441 I CB 0.175 38.173 38.000 -0.004 0.000 1.419 441 I HN 0.599 nan 8.210 nan 0.000 0.523 442 I N 4.162 124.775 120.570 0.071 0.000 2.716 442 I HA -0.033 4.137 4.170 -0.000 0.000 0.259 442 I C 0.499 176.670 176.117 0.091 0.000 1.172 442 I CA 1.309 62.655 61.300 0.077 0.000 1.478 442 I CB 0.106 38.160 38.000 0.090 0.000 1.104 442 I HN 0.661 nan 8.210 nan 0.000 0.439 443 D N -1.124 119.347 120.400 0.118 0.000 2.685 443 D HA 0.688 5.328 4.640 -0.000 0.000 0.236 443 D C -1.424 174.936 176.300 0.099 0.000 1.233 443 D CA -0.222 53.859 54.000 0.135 0.000 0.760 443 D CB 1.421 42.350 40.800 0.215 0.000 1.410 443 D HN 0.059 nan 8.370 nan 0.000 0.439 444 A N 0.730 123.494 122.820 -0.094 0.000 2.610 444 A HA 0.939 5.259 4.320 -0.000 0.000 0.291 444 A C -0.796 176.236 177.584 -0.921 0.000 1.086 444 A CA -0.148 51.542 52.037 -0.577 0.000 0.677 444 A CB 1.758 20.564 19.000 -0.322 0.000 1.278 444 A HN 0.819 nan 8.150 nan 0.000 0.414 445 G N -0.949 106.946 108.800 -1.508 0.000 2.720 445 G HA2 0.573 4.533 3.960 -0.000 0.000 0.295 445 G HA3 0.573 4.533 3.960 -0.000 0.000 0.295 445 G C -1.876 172.726 174.900 -0.496 0.000 1.437 445 G CA -0.476 44.151 45.100 -0.788 0.000 0.886 445 G HN 0.942 nan 8.290 nan 0.000 0.509 446 F N 2.805 122.566 119.950 -0.316 0.000 2.361 446 F HA 0.634 5.160 4.527 -0.000 0.000 0.364 446 F C 0.036 175.696 175.800 -0.233 0.000 1.120 446 F CA -0.962 56.896 58.000 -0.238 0.000 1.102 446 F CB 1.195 40.111 39.000 -0.141 0.000 1.183 446 F HN 0.090 nan 8.300 nan 0.000 0.476 447 M N 6.032 125.324 119.600 -0.514 0.000 2.404 447 M HA 0.445 4.924 4.480 -0.000 0.000 0.338 447 M C -0.546 175.536 176.300 -0.363 0.000 1.150 447 M CA -0.438 54.537 55.300 -0.542 0.000 1.016 447 M CB 1.855 33.712 32.600 -1.238 0.000 1.672 447 M HN 0.499 nan 8.290 nan 0.000 0.448 448 R N 1.961 122.387 120.500 -0.123 0.000 2.494 448 R HA 0.422 4.762 4.340 -0.000 0.000 0.284 448 R C -2.459 173.888 176.300 0.079 0.000 1.525 448 R CA -1.515 54.619 56.100 0.058 0.000 1.460 448 R CB 0.460 30.860 30.300 0.167 0.000 1.134 448 R HN 0.374 nan 8.270 nan 0.000 0.592 449 P HA -0.029 nan 4.420 nan 0.000 0.269 449 P C -0.328 177.079 177.300 0.179 0.000 1.209 449 P CA -0.280 62.944 63.100 0.206 0.000 0.776 449 P CB 0.614 32.428 31.700 0.190 0.000 0.876 450 N N 2.589 121.401 118.700 0.187 0.000 3.245 450 N HA 0.018 4.758 4.740 -0.000 0.000 0.296 450 N C -0.136 175.437 175.510 0.105 0.000 1.254 450 N CA -0.016 53.113 53.050 0.132 0.000 1.190 450 N CB -0.964 37.593 38.487 0.116 0.000 1.460 450 N HN 0.333 nan 8.380 nan 0.000 0.538 451 K N 0.859 121.318 120.400 0.099 0.000 3.393 451 K HA -0.199 4.120 4.320 -0.000 0.000 0.272 451 K C -1.184 175.455 176.600 0.064 0.000 1.004 451 K CA 0.668 56.999 56.287 0.073 0.000 0.764 451 K CB -0.757 31.780 32.500 0.061 0.000 1.373 451 K HN 0.438 nan 8.250 nan 0.000 0.458 452 Q N -0.014 119.831 119.800 0.075 0.000 2.356 452 Q HA 0.277 4.617 4.340 -0.000 0.000 0.270 452 Q C -1.960 174.065 176.000 0.042 0.000 1.058 452 Q CA -1.851 53.995 55.803 0.072 0.000 0.802 452 Q CB 1.965 30.776 28.738 0.122 0.000 1.303 452 Q HN 0.076 nan 8.270 nan 0.000 0.444 453 P HA -0.032 nan 4.420 nan 0.000 0.220 453 P C -0.194 177.097 177.300 -0.015 0.000 1.152 453 P CA 0.974 64.061 63.100 -0.021 0.000 0.812 453 P CB 0.895 32.581 31.700 -0.023 0.000 0.792 454 K N -0.846 119.570 120.400 0.026 0.000 2.208 454 K HA 0.477 4.797 4.320 -0.000 0.000 0.247 454 K C -1.313 175.364 176.600 0.128 0.000 0.953 454 K CA -0.708 55.602 56.287 0.039 0.000 0.837 454 K CB 2.039 34.553 32.500 0.024 0.000 1.131 454 K HN -0.122 nan 8.250 nan 0.000 0.431 455 Y N 1.571 121.848 120.300 -0.037 0.000 2.399 455 Y HA 0.234 4.784 4.550 -0.000 0.000 0.327 455 Y C -1.664 174.265 175.900 0.049 0.000 1.111 455 Y CA -1.058 57.060 58.100 0.030 0.000 1.047 455 Y CB 1.103 39.619 38.460 0.093 0.000 1.259 455 Y HN 0.448 nan 8.280 nan 0.000 0.434 456 L N 7.155 128.208 121.223 -0.283 0.000 2.363 456 L HA 0.354 4.694 4.340 -0.000 0.000 0.286 456 L C -1.088 175.761 176.870 -0.036 0.000 1.106 456 L CA -0.238 54.527 54.840 -0.126 0.000 0.859 456 L CB 0.124 42.092 42.059 -0.151 0.000 1.223 456 L HN 0.632 nan 8.230 nan 0.000 0.446 457 L N 5.205 126.606 121.223 0.297 0.000 2.319 457 L HA 0.373 4.712 4.340 -0.000 0.000 0.280 457 L C -0.371 176.667 176.870 0.279 0.000 1.099 457 L CA 0.505 55.591 54.840 0.410 0.000 0.828 457 L CB 0.757 43.095 42.059 0.465 0.000 1.150 457 L HN 0.626 nan 8.230 nan 0.000 0.442 458 Q N 5.746 125.652 119.800 0.177 0.000 2.337 458 Q HA 0.649 4.989 4.340 -0.000 0.000 0.270 458 Q C -1.609 174.437 176.000 0.078 0.000 1.043 458 Q CA -0.624 55.237 55.803 0.096 0.000 0.794 458 Q CB 2.474 31.235 28.738 0.039 0.000 1.281 458 Q HN 0.614 nan 8.270 nan 0.000 0.446 459 L N 2.071 123.344 121.223 0.084 0.000 2.431 459 L HA 0.433 4.773 4.340 -0.000 0.000 0.266 459 L C -0.574 176.343 176.870 0.079 0.000 0.978 459 L CA -1.061 53.819 54.840 0.065 0.000 0.822 459 L CB 2.095 44.183 42.059 0.047 0.000 1.310 459 L HN 0.491 nan 8.230 nan 0.000 0.409 460 N N 2.160 120.908 118.700 0.080 0.000 2.452 460 N HA 0.246 4.986 4.740 -0.000 0.000 0.266 460 N C -0.073 175.511 175.510 0.122 0.000 1.175 460 N CA -0.033 53.069 53.050 0.087 0.000 0.945 460 N CB 1.739 40.272 38.487 0.076 0.000 1.063 460 N HN 0.689 nan 8.380 nan 0.000 0.472 461 A N 2.452 125.361 122.820 0.148 0.000 2.454 461 A HA 0.315 4.635 4.320 -0.000 0.000 0.260 461 A C 0.733 178.411 177.584 0.156 0.000 1.106 461 A CA -0.257 51.916 52.037 0.226 0.000 0.780 461 A CB -0.171 19.049 19.000 0.367 0.000 1.044 461 A HN 0.646 nan 8.150 nan 0.000 0.498 462 T N -0.302 114.332 114.554 0.133 0.000 2.952 462 T HA 0.439 4.789 4.350 -0.000 0.000 0.286 462 T C 0.750 175.455 174.700 0.008 0.000 1.024 462 T CA -0.362 61.779 62.100 0.068 0.000 1.029 462 T CB 1.529 70.440 68.868 0.071 0.000 1.094 462 T HN 0.640 nan 8.240 nan 0.000 0.515 463 E N 0.340 120.530 120.200 -0.017 0.000 2.153 463 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 463 E C 1.413 177.970 176.600 -0.071 0.000 0.988 463 E CA 0.999 57.360 56.400 -0.066 0.000 0.811 463 E CB -0.053 29.621 29.700 -0.042 0.000 0.746 463 E HN 0.713 nan 8.360 nan 0.000 0.466 464 K N -0.440 119.945 120.400 -0.024 0.000 2.515 464 K HA -0.045 4.275 4.320 -0.000 0.000 0.196 464 K C 1.448 178.045 176.600 -0.005 0.000 1.038 464 K CA 0.860 57.141 56.287 -0.011 0.000 0.967 464 K CB -0.011 32.499 32.500 0.016 0.000 0.780 464 K HN 0.173 nan 8.250 nan 0.000 0.483 465 M N 0.163 119.755 119.600 -0.014 0.000 2.509 465 M HA 0.183 4.663 4.480 -0.000 0.000 0.250 465 M C 0.042 176.263 176.300 -0.132 0.000 1.132 465 M CA 0.180 55.502 55.300 0.036 0.000 1.080 465 M CB 0.273 32.985 32.600 0.188 0.000 1.408 465 M HN 0.040 nan 8.290 nan 0.000 0.484 466 I N 1.701 122.082 120.570 -0.315 0.000 2.440 466 I HA 0.120 4.290 4.170 -0.000 0.000 0.294 466 I C -1.445 174.545 176.117 -0.212 0.000 0.995 466 I CA -1.505 59.497 61.300 -0.497 0.000 1.306 466 I CB 1.354 39.053 38.000 -0.501 0.000 1.407 466 I HN -0.046 nan 8.210 nan 0.000 0.501 467 P HA 0.130 nan 4.420 nan 0.000 0.264 467 P C -0.085 177.272 177.300 0.095 0.000 1.259 467 P CA 0.212 63.238 63.100 -0.125 0.000 0.841 467 P CB 0.466 32.160 31.700 -0.010 0.000 1.232 468 R N 0.174 120.725 120.500 0.086 0.000 2.533 468 R HA 0.712 5.052 4.340 -0.000 0.000 0.288 468 R C -1.598 174.793 176.300 0.152 0.000 1.039 468 R CA -0.484 55.709 56.100 0.155 0.000 0.909 468 R CB 2.038 32.345 30.300 0.013 0.000 1.195 468 R HN -0.030 nan 8.270 nan 0.000 0.438 469 A N 3.415 126.373 122.820 0.230 0.000 2.569 469 A HA 0.727 5.047 4.320 -0.000 0.000 0.290 469 A C -1.546 176.139 177.584 0.168 0.000 1.136 469 A CA -0.856 51.296 52.037 0.191 0.000 0.710 469 A CB 1.850 21.001 19.000 0.251 0.000 1.303 469 A HN 0.648 nan 8.150 nan 0.000 0.413 470 K N 0.020 120.515 120.400 0.159 0.000 2.466 470 K HA 0.796 5.116 4.320 -0.000 0.000 0.260 470 K C -1.500 175.202 176.600 0.170 0.000 1.011 470 K CA -0.516 55.876 56.287 0.175 0.000 0.871 470 K CB 2.107 34.737 32.500 0.217 0.000 1.404 470 K HN 0.879 nan 8.250 nan 0.000 0.450 471 I N 1.008 121.680 120.570 0.171 0.000 2.569 471 I HA 0.335 4.505 4.170 -0.000 0.000 0.290 471 I C -1.892 174.330 176.117 0.176 0.000 1.088 471 I CA -1.309 60.068 61.300 0.128 0.000 1.047 471 I CB 1.804 39.776 38.000 -0.046 0.000 1.237 471 I HN 0.625 nan 8.210 nan 0.000 0.421 472 L N 8.951 130.312 121.223 0.230 0.000 2.322 472 L HA 0.694 5.034 4.340 -0.000 0.000 0.281 472 L C -0.919 176.156 176.870 0.341 0.000 1.014 472 L CA -0.371 54.630 54.840 0.269 0.000 0.815 472 L CB 1.618 43.797 42.059 0.200 0.000 1.247 472 L HN 0.568 nan 8.230 nan 0.000 0.421 473 I N 2.290 123.029 120.570 0.281 0.000 2.693 473 I HA 1.036 5.206 4.170 -0.000 0.000 0.303 473 I C -0.667 175.645 176.117 0.324 0.000 1.025 473 I CA -0.650 60.826 61.300 0.293 0.000 1.086 473 I CB 2.098 40.215 38.000 0.195 0.000 1.268 473 I HN 0.769 nan 8.210 nan 0.000 0.440 474 A N 2.771 125.778 122.820 0.312 0.000 2.589 474 A HA 0.790 5.109 4.320 -0.000 0.000 0.296 474 A C -0.736 176.908 177.584 0.101 0.000 1.062 474 A CA -0.395 51.816 52.037 0.291 0.000 0.686 474 A CB 1.802 21.089 19.000 0.480 0.000 1.282 474 A HN 0.890 nan 8.150 nan 0.000 0.404 475 T N -0.338 114.193 114.554 -0.039 0.000 2.804 475 T HA 0.643 4.992 4.350 -0.000 0.000 0.290 475 T C -1.516 173.027 174.700 -0.263 0.000 1.099 475 T CA -0.268 61.609 62.100 -0.371 0.000 1.011 475 T CB 1.511 70.041 68.868 -0.563 0.000 1.291 475 T HN 1.029 nan 8.240 nan 0.000 0.523 476 V N 2.086 121.778 119.914 -0.370 0.000 2.370 476 V HA 0.795 4.915 4.120 -0.000 0.000 0.283 476 V C 0.057 176.069 176.094 -0.137 0.000 1.023 476 V CA -0.580 61.611 62.300 -0.182 0.000 0.857 476 V CB 0.787 32.486 31.823 -0.207 0.000 0.985 476 V HN 1.032 nan 8.190 nan 0.000 0.443 477 A N 3.811 126.572 122.820 -0.098 0.000 2.343 477 A HA 0.821 5.141 4.320 -0.000 0.000 0.308 477 A C 0.858 178.417 177.584 -0.042 0.000 1.092 477 A CA 0.269 52.259 52.037 -0.078 0.000 0.751 477 A CB 1.222 20.158 19.000 -0.107 0.000 1.203 477 A HN 1.738 nan 8.150 nan 0.000 0.452 478 G N 2.849 111.637 108.800 -0.020 0.000 3.729 478 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.327 478 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.327 478 G C 0.632 175.540 174.900 0.014 0.000 1.293 478 G CA 1.507 46.604 45.100 -0.005 0.000 1.011 478 G HN 1.920 nan 8.290 nan 0.000 0.673 479 R N -0.478 120.025 120.500 0.005 0.000 2.508 479 R HA 0.529 4.869 4.340 -0.000 0.000 0.420 479 R C 0.165 176.457 176.300 -0.013 0.000 0.866 479 R CA 0.716 56.824 56.100 0.015 0.000 1.103 479 R CB -0.033 30.279 30.300 0.020 0.000 1.657 479 R HN 0.819 nan 8.270 nan 0.000 0.562 480 T N -0.317 114.219 114.554 -0.030 0.000 2.907 480 T HA 0.523 4.873 4.350 -0.000 0.000 0.292 480 T C -0.800 173.866 174.700 -0.056 0.000 1.043 480 T CA -0.660 61.410 62.100 -0.050 0.000 1.003 480 T CB 1.926 70.781 68.868 -0.020 0.000 1.084 480 T HN 0.003 nan 8.240 nan 0.000 0.483 481 V N 5.169 125.047 119.914 -0.060 0.000 2.368 481 V HA 0.460 4.580 4.120 -0.000 0.000 0.266 481 V C 0.475 176.658 176.094 0.149 0.000 1.045 481 V CA -0.530 61.796 62.300 0.043 0.000 0.899 481 V CB 0.669 32.537 31.823 0.075 0.000 1.006 481 V HN 0.803 nan 8.190 nan 0.000 0.470 482 V N 4.605 124.550 119.914 0.052 0.000 2.532 482 V HA 0.841 4.960 4.120 -0.000 0.000 0.295 482 V C -0.739 175.386 176.094 0.052 0.000 1.041 482 V CA -0.580 61.681 62.300 -0.065 0.000 0.926 482 V CB 1.219 32.989 31.823 -0.088 0.000 0.992 482 V HN 0.791 nan 8.190 nan 0.000 0.457 483 Y N 0.780 121.165 120.300 0.142 0.000 2.669 483 Y HA 0.960 5.510 4.550 -0.000 0.000 0.335 483 Y C -0.814 175.153 175.900 0.112 0.000 1.116 483 Y CA -1.030 57.148 58.100 0.130 0.000 1.081 483 Y CB 1.855 40.389 38.460 0.123 0.000 1.297 483 Y HN 0.693 nan 8.280 nan 0.000 0.484 484 D N -0.170 120.452 120.400 0.370 0.000 2.599 484 D HA 0.548 5.188 4.640 -0.000 0.000 0.252 484 D C -1.788 174.723 176.300 0.350 0.000 1.232 484 D CA -0.498 53.694 54.000 0.320 0.000 0.819 484 D CB 2.527 43.406 40.800 0.131 0.000 1.401 484 D HN 0.586 nan 8.370 nan 0.000 0.429 485 F N 0.049 120.054 119.950 0.091 0.000 2.664 485 F HA 0.956 5.483 4.527 -0.000 0.000 0.317 485 F C -1.826 174.001 175.800 0.046 0.000 1.108 485 F CA -0.894 57.135 58.000 0.049 0.000 0.957 485 F CB 1.252 40.267 39.000 0.025 0.000 1.365 485 F HN 0.463 nan 8.300 nan 0.000 0.475 486 A N 1.031 123.782 122.820 -0.115 0.000 2.574 486 A HA 0.551 4.871 4.320 -0.000 0.000 0.297 486 A C -1.856 175.752 177.584 0.040 0.000 1.062 486 A CA -0.900 51.016 52.037 -0.202 0.000 0.686 486 A CB 1.129 20.094 19.000 -0.059 0.000 1.285 486 A HN 0.769 nan 8.150 nan 0.000 0.403 487 D N 1.038 121.450 120.400 0.020 0.000 2.341 487 D HA 0.408 5.048 4.640 -0.000 0.000 0.245 487 D C -0.491 175.846 176.300 0.060 0.000 1.106 487 D CA 0.330 54.385 54.000 0.091 0.000 0.905 487 D CB 1.306 42.153 40.800 0.077 0.000 1.202 487 D HN 0.401 nan 8.370 nan 0.000 0.426 488 L N 1.424 122.686 121.223 0.064 0.000 2.435 488 L HA 0.405 4.745 4.340 -0.000 0.000 0.253 488 L C -0.017 176.808 176.870 -0.076 0.000 1.087 488 L CA -0.665 54.153 54.840 -0.036 0.000 0.950 488 L CB 1.009 43.079 42.059 0.018 0.000 1.304 488 L HN 0.276 nan 8.230 nan 0.000 0.453 489 A N 2.403 125.169 122.820 -0.090 0.000 2.260 489 A HA 0.629 4.949 4.320 -0.000 0.000 0.312 489 A C -0.518 177.033 177.584 -0.056 0.000 1.321 489 A CA -0.326 51.717 52.037 0.010 0.000 0.928 489 A CB -0.163 18.861 19.000 0.041 0.000 1.158 489 A HN 0.426 nan 8.150 nan 0.000 0.542 490 F N 2.913 122.882 119.950 0.032 0.000 2.468 490 F HA 0.092 4.619 4.527 -0.000 0.000 0.356 490 F C 2.106 177.924 175.800 0.030 0.000 1.167 490 F CA -0.153 57.866 58.000 0.031 0.000 1.135 490 F CB 0.689 39.711 39.000 0.037 0.000 1.197 490 F HN 0.803 nan 8.300 nan 0.000 0.569 491 Q N 3.628 123.501 119.800 0.122 0.000 2.170 491 Q HA -0.224 4.116 4.340 -0.000 0.000 0.203 491 Q C 1.414 177.452 176.000 0.064 0.000 0.976 491 Q CA 2.053 57.901 55.803 0.075 0.000 0.858 491 Q CB -0.546 28.209 28.738 0.028 0.000 0.907 491 Q HN 0.773 nan 8.270 nan 0.000 0.433 492 E N 1.213 121.467 120.200 0.089 0.000 2.338 492 E HA -0.126 4.223 4.350 -0.000 0.000 0.197 492 E C 1.534 178.179 176.600 0.075 0.000 1.007 492 E CA 0.720 57.156 56.400 0.059 0.000 0.849 492 E CB -0.221 29.528 29.700 0.081 0.000 0.774 492 E HN 0.501 nan 8.360 nan 0.000 0.506 493 L N 0.222 121.534 121.223 0.147 0.000 2.857 493 L HA 0.333 4.673 4.340 -0.000 0.000 0.249 493 L C 0.892 177.912 176.870 0.251 0.000 1.172 493 L CA -0.442 54.540 54.840 0.236 0.000 0.980 493 L CB 0.345 42.505 42.059 0.168 0.000 1.299 493 L HN -0.149 nan 8.230 nan 0.000 0.535 494 R N 0.372 120.945 120.500 0.123 0.000 2.643 494 R HA 0.296 4.636 4.340 -0.000 0.000 0.272 494 R C -0.063 176.282 176.300 0.075 0.000 0.995 494 R CA -0.483 55.694 56.100 0.128 0.000 1.032 494 R CB 0.707 31.079 30.300 0.121 0.000 1.126 494 R HN -0.156 nan 8.270 nan 0.000 0.505 495 N N 1.923 120.723 118.700 0.166 0.000 2.469 495 N HA 0.026 4.766 4.740 -0.000 0.000 0.239 495 N C -1.109 174.512 175.510 0.186 0.000 1.053 495 N CA -0.395 52.753 53.050 0.164 0.000 0.937 495 N CB 0.330 38.952 38.487 0.224 0.000 1.163 495 N HN 0.489 nan 8.380 nan 0.000 0.509 496 N N 3.828 122.595 118.700 0.111 0.000 3.259 496 N HA 0.010 4.749 4.740 -0.000 0.000 0.308 496 N C -0.522 175.062 175.510 0.124 0.000 1.334 496 N CA -0.384 52.726 53.050 0.101 0.000 1.202 496 N CB -0.689 37.813 38.487 0.026 0.000 1.485 496 N HN 0.313 nan 8.380 nan 0.000 0.549 497 F N 1.180 121.151 119.950 0.035 0.000 2.443 497 F HA 0.398 4.925 4.527 -0.000 0.000 0.353 497 F C -0.206 175.595 175.800 0.002 0.000 1.101 497 F CA -0.484 57.525 58.000 0.016 0.000 1.226 497 F CB 0.822 39.845 39.000 0.038 0.000 1.140 497 F HN 0.149 nan 8.300 nan 0.000 0.557 498 D N 5.518 125.343 120.400 -0.958 0.000 2.859 498 D HA 0.387 5.027 4.640 -0.000 0.000 0.223 498 D C -1.959 173.790 176.300 -0.919 0.000 1.218 498 D CA -0.406 53.137 54.000 -0.762 0.000 0.850 498 D CB 1.689 42.284 40.800 -0.342 0.000 1.656 498 D HN 0.644 nan 8.370 nan 0.000 0.484 499 L N 2.465 123.312 121.223 -0.627 0.000 2.386 499 L HA 0.748 5.088 4.340 -0.000 0.000 0.271 499 L C -0.975 175.746 176.870 -0.248 0.000 0.993 499 L CA -0.329 54.267 54.840 -0.406 0.000 0.819 499 L CB 1.545 43.438 42.059 -0.276 0.000 1.294 499 L HN 0.637 nan 8.230 nan 0.000 0.414 500 S N 3.968 119.545 115.700 -0.205 0.000 2.588 500 S HA 0.713 5.183 4.470 -0.000 0.000 0.275 500 S C -1.191 173.313 174.600 -0.160 0.000 1.130 500 S CA -0.741 57.362 58.200 -0.163 0.000 0.855 500 S CB 2.396 65.509 63.200 -0.144 0.000 1.116 500 S HN 0.452 nan 8.310 nan 0.000 0.472 501 I N 2.246 122.724 120.570 -0.153 0.000 2.569 501 I HA 0.351 4.521 4.170 -0.000 0.000 0.296 501 I C -0.747 175.282 176.117 -0.147 0.000 1.028 501 I CA -0.571 60.621 61.300 -0.181 0.000 1.082 501 I CB 1.941 39.792 38.000 -0.249 0.000 1.264 501 I HN 0.887 nan 8.210 nan 0.000 0.429 502 D N 6.506 126.820 120.400 -0.144 0.000 2.493 502 D HA -0.066 4.574 4.640 -0.000 0.000 0.240 502 D C -0.497 175.746 176.300 -0.096 0.000 1.142 502 D CA -0.015 53.920 54.000 -0.108 0.000 0.872 502 D CB 0.734 41.476 40.800 -0.096 0.000 1.173 502 D HN 0.506 nan 8.370 nan 0.000 0.467 503 E N 1.854 122.011 120.200 -0.071 0.000 2.053 503 E HA 0.036 4.386 4.350 -0.000 0.000 0.297 503 E C -0.055 176.521 176.600 -0.041 0.000 1.173 503 E CA 0.154 56.523 56.400 -0.053 0.000 1.219 503 E CB 0.163 29.837 29.700 -0.044 0.000 1.103 503 E HN 0.428 nan 8.360 nan 0.000 0.476 504 Q N 0.286 120.059 119.800 -0.044 0.000 2.648 504 Q HA 0.214 4.554 4.340 -0.000 0.000 0.300 504 Q C -0.996 174.994 176.000 -0.016 0.000 0.954 504 Q CA -0.844 54.942 55.803 -0.029 0.000 0.757 504 Q CB 1.899 30.616 28.738 -0.036 0.000 1.482 504 Q HN 0.249 nan 8.270 nan 0.000 0.437 505 E N 1.097 121.299 120.200 0.004 0.000 2.257 505 E HA 0.138 4.488 4.350 -0.000 0.000 0.278 505 E C -0.809 175.805 176.600 0.024 0.000 1.049 505 E CA -0.055 56.364 56.400 0.032 0.000 0.876 505 E CB 0.443 30.168 29.700 0.041 0.000 1.035 505 E HN 0.211 nan 8.360 nan 0.000 0.419 506 I N 4.176 124.773 120.570 0.045 0.000 2.471 506 I HA 0.036 4.206 4.170 -0.000 0.000 0.286 506 I C 0.344 176.517 176.117 0.094 0.000 1.079 506 I CA 0.457 61.777 61.300 0.034 0.000 1.398 506 I CB 0.388 38.383 38.000 -0.009 0.000 1.403 506 I HN 0.207 nan 8.210 nan 0.000 0.530 507 K N 7.935 128.365 120.400 0.049 0.000 2.376 507 K HA 0.440 4.760 4.320 -0.000 0.000 0.257 507 K C -2.490 174.122 176.600 0.020 0.000 0.939 507 K CA -1.820 54.496 56.287 0.048 0.000 0.809 507 K CB 1.629 34.149 32.500 0.034 0.000 1.121 507 K HN 0.244 nan 8.250 nan 0.000 0.425 508 P HA -0.137 nan 4.420 nan 0.000 0.261 508 P C 0.755 178.034 177.300 -0.034 0.000 1.173 508 P CA 1.120 64.204 63.100 -0.027 0.000 0.760 508 P CB 0.632 32.323 31.700 -0.015 0.000 0.783 509 G N 2.978 111.736 108.800 -0.071 0.000 2.363 509 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.238 509 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.238 509 G C 0.549 175.427 174.900 -0.037 0.000 1.062 509 G CA -0.138 44.932 45.100 -0.051 0.000 0.629 509 G HN 0.590 nan 8.290 nan 0.000 0.514 510 R N 1.167 121.651 120.500 -0.027 0.000 2.652 510 R HA 0.491 4.831 4.340 -0.000 0.000 0.272 510 R C 0.848 177.135 176.300 -0.021 0.000 1.162 510 R CA 0.276 56.365 56.100 -0.018 0.000 1.199 510 R CB 0.153 30.447 30.300 -0.010 0.000 1.166 510 R HN 0.674 nan 8.270 nan 0.000 0.597 511 Q N 1.096 120.888 119.800 -0.014 0.000 2.257 511 Q HA 0.573 4.913 4.340 -0.000 0.000 0.262 511 Q C -0.636 175.355 176.000 -0.015 0.000 0.997 511 Q CA -0.760 55.040 55.803 -0.005 0.000 0.873 511 Q CB 1.576 30.310 28.738 -0.006 0.000 1.312 511 Q HN 0.621 nan 8.270 nan 0.000 0.450 512 I N -2.479 118.086 120.570 -0.008 0.000 2.892 512 I HA 0.594 4.764 4.170 -0.000 0.000 0.306 512 I C -1.008 175.069 176.117 -0.065 0.000 1.078 512 I CA -1.088 60.182 61.300 -0.050 0.000 1.032 512 I CB 2.461 40.410 38.000 -0.086 0.000 1.229 512 I HN 0.788 nan 8.210 nan 0.000 0.435 513 E N 3.719 123.864 120.200 -0.092 0.000 2.145 513 E HA 0.485 4.835 4.350 -0.000 0.000 0.270 513 E C -1.741 174.783 176.600 -0.127 0.000 0.906 513 E CA -0.811 55.532 56.400 -0.096 0.000 0.761 513 E CB 1.608 31.259 29.700 -0.081 0.000 1.116 513 E HN 0.593 nan 8.360 nan 0.000 0.408 514 L N 3.416 124.558 121.223 -0.135 0.000 2.265 514 L HA 0.288 4.627 4.340 -0.000 0.000 0.288 514 L C -0.378 176.412 176.870 -0.133 0.000 1.058 514 L CA 0.056 54.803 54.840 -0.155 0.000 0.809 514 L CB 1.739 43.691 42.059 -0.179 0.000 1.179 514 L HN 0.422 nan 8.230 nan 0.000 0.429 515 S N 5.619 121.237 115.700 -0.138 0.000 2.437 515 S HA 0.829 5.299 4.470 -0.000 0.000 0.305 515 S C -0.359 174.147 174.600 -0.157 0.000 1.109 515 S CA -0.720 57.403 58.200 -0.128 0.000 1.099 515 S CB 1.123 64.252 63.200 -0.117 0.000 1.004 515 S HN 0.583 nan 8.310 nan 0.000 0.475 516 M N 1.184 120.699 119.600 -0.142 0.000 2.484 516 M HA 0.764 5.244 4.480 -0.000 0.000 0.289 516 M C -1.113 175.107 176.300 -0.134 0.000 1.206 516 M CA -0.735 54.451 55.300 -0.190 0.000 0.892 516 M CB 2.206 34.721 32.600 -0.141 0.000 1.712 516 M HN 0.516 nan 8.290 nan 0.000 0.462 517 S N 0.810 116.398 115.700 -0.186 0.000 2.570 517 S HA 1.062 5.532 4.470 -0.000 0.000 0.286 517 S C -0.374 174.216 174.600 -0.016 0.000 1.099 517 S CA 0.022 58.170 58.200 -0.085 0.000 0.913 517 S CB 2.264 65.407 63.200 -0.095 0.000 1.085 517 S HN 1.448 nan 8.310 nan 0.000 0.480 518 G N 1.157 109.991 108.800 0.057 0.000 2.539 518 G HA2 0.380 4.340 3.960 -0.000 0.000 0.138 518 G HA3 0.380 4.340 3.960 -0.000 0.000 0.138 518 G C -1.695 173.238 174.900 0.055 0.000 1.148 518 G CA -0.926 44.245 45.100 0.118 0.000 1.057 518 G HN 0.666 nan 8.290 nan 0.000 0.511 519 R N 1.101 121.642 120.500 0.068 0.000 2.349 519 R HA 0.391 4.731 4.340 -0.000 0.000 0.299 519 R C -1.773 174.565 176.300 0.064 0.000 1.027 519 R CA -1.755 54.370 56.100 0.042 0.000 0.958 519 R CB 1.548 31.895 30.300 0.078 0.000 1.047 519 R HN 0.128 nan 8.270 nan 0.000 0.468 520 P HA -0.215 nan 4.420 nan 0.000 0.217 520 P C 1.241 178.572 177.300 0.052 0.000 1.162 520 P CA 1.878 65.007 63.100 0.047 0.000 0.901 520 P CB 0.123 31.852 31.700 0.049 0.000 0.793 521 G N -0.688 108.155 108.800 0.072 0.000 2.443 521 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.219 521 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.219 521 G C 0.581 175.506 174.900 0.042 0.000 1.131 521 G CA 0.464 45.599 45.100 0.058 0.000 0.775 521 G HN 0.528 nan 8.290 nan 0.000 0.547 522 A N -0.211 122.641 122.820 0.053 0.000 2.587 522 A HA 0.293 4.613 4.320 -0.000 0.000 0.235 522 A C -0.109 177.471 177.584 -0.007 0.000 1.044 522 A CA -0.289 51.770 52.037 0.037 0.000 0.754 522 A CB -0.201 18.830 19.000 0.051 0.000 0.968 522 A HN 0.506 nan 8.150 nan 0.000 0.509 523 Y N 2.643 122.852 120.300 -0.153 0.000 2.346 523 Y HA 0.456 5.006 4.550 -0.000 0.000 0.330 523 Y C -0.309 175.413 175.900 -0.297 0.000 1.178 523 Y CA -0.017 57.964 58.100 -0.199 0.000 1.331 523 Y CB 0.802 39.125 38.460 -0.229 0.000 1.253 523 Y HN 0.440 nan 8.280 nan 0.000 0.529 524 V N 5.705 124.991 119.914 -1.047 0.000 2.531 524 V HA 0.576 4.696 4.120 -0.000 0.000 0.301 524 V C 0.086 175.357 176.094 -1.372 0.000 1.034 524 V CA -0.489 61.197 62.300 -1.023 0.000 0.865 524 V CB 1.535 33.016 31.823 -0.570 0.000 0.995 524 V HN 1.018 nan 8.190 nan 0.000 0.424 525 G N 4.875 112.859 108.800 -1.359 0.000 2.422 525 G HA2 0.724 4.684 3.960 -0.000 0.000 0.317 525 G HA3 0.724 4.684 3.960 -0.000 0.000 0.317 525 G C -1.079 173.373 174.900 -0.746 0.000 1.210 525 G CA -0.439 44.016 45.100 -1.076 0.000 0.930 525 G HN 0.561 nan 8.290 nan 0.000 0.468 526 L N 1.280 122.164 121.223 -0.565 0.000 2.333 526 L HA 0.895 5.235 4.340 -0.000 0.000 0.269 526 L C 0.218 176.861 176.870 -0.379 0.000 1.010 526 L CA -0.975 53.638 54.840 -0.378 0.000 0.818 526 L CB 2.341 44.185 42.059 -0.358 0.000 1.306 526 L HN 0.649 nan 8.230 nan 0.000 0.430 527 A N 1.588 124.262 122.820 -0.242 0.000 2.540 527 A HA 0.862 5.182 4.320 -0.000 0.000 0.297 527 A C -1.468 175.908 177.584 -0.345 0.000 1.056 527 A CA -0.346 51.547 52.037 -0.238 0.000 0.700 527 A CB 1.732 20.678 19.000 -0.089 0.000 1.280 527 A HN 0.761 nan 8.150 nan 0.000 0.398 528 A N 1.248 123.820 122.820 -0.413 0.000 2.371 528 A HA 0.843 5.163 4.320 -0.000 0.000 0.311 528 A C -1.498 176.021 177.584 -0.108 0.000 1.068 528 A CA -0.392 51.519 52.037 -0.209 0.000 0.744 528 A CB 0.739 19.600 19.000 -0.232 0.000 1.239 528 A HN 1.004 nan 8.150 nan 0.000 0.435 529 Y N 1.500 122.076 120.300 0.460 0.000 2.425 529 Y HA 0.421 4.971 4.550 -0.000 0.000 0.344 529 Y C -0.103 175.957 175.900 0.267 0.000 0.969 529 Y CA -1.291 57.025 58.100 0.360 0.000 1.052 529 Y CB 1.674 40.262 38.460 0.213 0.000 1.215 529 Y HN 0.752 nan 8.280 nan 0.000 0.451 530 D N 2.121 122.570 120.400 0.082 0.000 2.304 530 D HA 0.098 4.737 4.640 -0.000 0.000 0.250 530 D C 0.242 176.451 176.300 -0.153 0.000 1.107 530 D CA -0.478 53.301 54.000 -0.368 0.000 0.885 530 D CB 1.613 41.919 40.800 -0.823 0.000 1.192 530 D HN 0.605 nan 8.370 nan 0.000 0.436 531 K N 1.504 121.800 120.400 -0.174 0.000 2.280 531 K HA -0.099 4.220 4.320 -0.000 0.000 0.202 531 K C 1.859 178.394 176.600 -0.109 0.000 1.047 531 K CA 1.021 57.222 56.287 -0.143 0.000 0.942 531 K CB -0.129 32.287 32.500 -0.141 0.000 0.739 531 K HN 0.582 nan 8.250 nan 0.000 0.457 532 A N 1.284 124.030 122.820 -0.123 0.000 1.940 532 A HA -0.174 4.145 4.320 -0.000 0.000 0.219 532 A C 2.044 179.655 177.584 0.045 0.000 1.176 532 A CA 1.316 53.327 52.037 -0.043 0.000 0.631 532 A CB -0.324 18.620 19.000 -0.093 0.000 0.814 532 A HN 0.190 nan 8.150 nan 0.000 0.446 533 L N -1.010 120.204 121.223 -0.016 0.000 2.209 533 L HA 0.146 4.486 4.340 -0.000 0.000 0.207 533 L C 2.197 179.078 176.870 0.018 0.000 1.094 533 L CA 0.963 55.807 54.840 0.007 0.000 0.790 533 L CB -0.184 41.864 42.059 -0.019 0.000 0.932 533 L HN 0.363 nan 8.230 nan 0.000 0.447 534 L N -1.684 119.524 121.223 -0.026 0.000 2.156 534 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 534 L C 2.288 179.138 176.870 -0.034 0.000 1.095 534 L CA 0.485 55.284 54.840 -0.067 0.000 0.770 534 L CB -0.342 41.615 42.059 -0.170 0.000 0.914 534 L HN 0.282 nan 8.230 nan 0.000 0.439 535 L N -0.507 120.706 121.223 -0.016 0.000 1.961 535 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 535 L C 2.330 179.189 176.870 -0.019 0.000 1.072 535 L CA 1.900 56.713 54.840 -0.046 0.000 0.749 535 L CB -0.531 41.477 42.059 -0.085 0.000 0.889 535 L HN -0.018 nan 8.230 nan 0.000 0.432 536 F N 0.722 120.657 119.950 -0.025 0.000 2.192 536 F HA -0.243 4.284 4.527 -0.000 0.000 0.301 536 F C 0.911 176.718 175.800 0.012 0.000 1.079 536 F CA 1.491 59.494 58.000 0.005 0.000 1.303 536 F CB -0.257 38.758 39.000 0.025 0.000 1.024 536 F HN 0.435 nan 8.300 nan 0.000 0.494 537 N N -0.708 118.096 118.700 0.173 0.000 2.725 537 N HA 0.105 4.845 4.740 -0.000 0.000 0.248 537 N C -0.348 175.209 175.510 0.078 0.000 1.402 537 N CA -0.324 52.798 53.050 0.120 0.000 0.766 537 N CB 0.178 38.744 38.487 0.131 0.000 1.223 537 N HN 0.373 nan 8.380 nan 0.000 0.515 538 K N -0.244 120.185 120.400 0.047 0.000 2.358 538 K HA 0.033 4.352 4.320 -0.000 0.000 0.197 538 K C 0.956 177.586 176.600 0.049 0.000 1.025 538 K CA -0.114 56.190 56.287 0.028 0.000 1.104 538 K CB 0.106 32.596 32.500 -0.016 0.000 0.855 538 K HN 0.106 nan 8.250 nan 0.000 0.531 539 N N 1.027 119.765 118.700 0.064 0.000 2.289 539 N HA -0.181 4.559 4.740 -0.000 0.000 0.184 539 N C 0.474 176.020 175.510 0.059 0.000 1.016 539 N CA 1.056 54.139 53.050 0.055 0.000 0.872 539 N CB -0.566 37.953 38.487 0.054 0.000 0.973 539 N HN 0.391 nan 8.380 nan 0.000 0.433 540 H N 0.169 119.262 119.070 0.038 0.000 2.408 540 H HA 0.196 4.752 4.556 -0.000 0.000 0.345 540 H C -0.521 174.832 175.328 0.042 0.000 1.547 540 H CA -0.168 55.907 56.048 0.047 0.000 1.447 540 H CB 0.544 30.345 29.762 0.064 0.000 1.686 540 H HN 0.032 nan 8.280 nan 0.000 0.625 541 D N 1.623 122.177 120.400 0.257 0.000 2.336 541 D HA 0.069 4.709 4.640 -0.000 0.000 0.249 541 D C -0.290 176.113 176.300 0.171 0.000 1.213 541 D CA -0.152 53.945 54.000 0.160 0.000 0.870 541 D CB 0.840 41.727 40.800 0.146 0.000 1.076 541 D HN 0.167 nan 8.370 nan 0.000 0.483 542 L N 2.292 123.584 121.223 0.116 0.000 2.461 542 L HA -0.007 4.333 4.340 -0.000 0.000 0.272 542 L C 1.285 178.270 176.870 0.192 0.000 1.197 542 L CA 0.061 54.980 54.840 0.131 0.000 0.836 542 L CB 0.396 42.517 42.059 0.104 0.000 1.105 542 L HN 0.356 nan 8.230 nan 0.000 0.477 543 F N 1.971 121.994 119.950 0.122 0.000 2.163 543 F HA -0.183 4.344 4.527 -0.000 0.000 0.297 543 F C 1.767 177.692 175.800 0.208 0.000 1.094 543 F CA 1.249 59.353 58.000 0.173 0.000 1.290 543 F CB -0.247 38.905 39.000 0.254 0.000 1.017 543 F HN 0.550 nan 8.300 nan 0.000 0.483 544 W N 1.592 122.865 121.300 -0.046 0.000 2.402 544 W HA -0.159 4.501 4.660 -0.000 0.000 0.286 544 W C 1.899 178.330 176.519 -0.147 0.000 1.221 544 W CA 1.797 59.068 57.345 -0.123 0.000 1.257 544 W CB -0.113 29.429 29.460 0.138 0.000 1.120 544 W HN 0.176 nan 8.180 nan 0.000 0.551 545 E N 0.056 120.240 120.200 -0.027 0.000 2.106 545 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 545 E C 1.631 178.100 176.600 -0.218 0.000 0.984 545 E CA 1.389 57.725 56.400 -0.107 0.000 0.806 545 E CB -0.215 29.471 29.700 -0.024 0.000 0.750 545 E HN 0.099 nan 8.360 nan 0.000 0.458 546 D N 0.788 121.051 120.400 -0.228 0.000 2.097 546 D HA -0.145 4.495 4.640 -0.000 0.000 0.195 546 D C 1.874 177.950 176.300 -0.372 0.000 0.989 546 D CA 0.718 54.574 54.000 -0.239 0.000 0.827 546 D CB -0.117 40.592 40.800 -0.152 0.000 0.966 546 D HN 0.080 nan 8.370 nan 0.000 0.456 547 I N 0.980 121.158 120.570 -0.652 0.000 2.315 547 I HA -0.083 4.087 4.170 -0.000 0.000 0.248 547 I C 2.243 178.007 176.117 -0.589 0.000 1.117 547 I CA 1.072 61.930 61.300 -0.737 0.000 1.404 547 I CB -1.046 36.228 38.000 -1.209 0.000 1.071 547 I HN -0.058 nan 8.210 nan 0.000 0.419 548 G N -0.518 107.878 108.800 -0.674 0.000 2.421 548 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 548 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 548 G C 1.510 176.300 174.900 -0.184 0.000 1.143 548 G CA 0.494 45.302 45.100 -0.486 0.000 0.784 548 G HN 0.457 nan 8.290 nan 0.000 0.541 549 Q N 0.163 119.855 119.800 -0.179 0.000 2.046 549 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 549 Q C 2.636 178.569 176.000 -0.111 0.000 0.975 549 Q CA 1.517 57.266 55.803 -0.090 0.000 0.836 549 Q CB -0.151 28.536 28.738 -0.085 0.000 0.896 549 Q HN 0.317 nan 8.270 nan 0.000 0.428 550 V N 0.867 120.686 119.914 -0.159 0.000 2.490 550 V HA -0.221 3.899 4.120 -0.000 0.000 0.250 550 V C 2.031 178.060 176.094 -0.108 0.000 1.061 550 V CA 1.593 63.783 62.300 -0.184 0.000 1.064 550 V CB -0.777 30.938 31.823 -0.181 0.000 0.670 550 V HN 0.381 nan 8.190 nan 0.000 0.461 551 F N 1.101 120.934 119.950 -0.195 0.000 2.202 551 F HA -0.185 4.342 4.527 -0.000 0.000 0.301 551 F C 1.778 177.527 175.800 -0.084 0.000 1.082 551 F CA 1.869 59.791 58.000 -0.129 0.000 1.313 551 F CB 0.003 38.923 39.000 -0.134 0.000 1.024 551 F HN 0.309 nan 8.300 nan 0.000 0.495 552 D N -1.313 119.100 120.400 0.023 0.000 2.685 552 D HA 0.304 4.944 4.640 -0.000 0.000 0.254 552 D C 1.374 177.623 176.300 -0.085 0.000 1.414 552 D CA 0.940 54.940 54.000 0.001 0.000 1.145 552 D CB -0.978 39.885 40.800 0.106 0.000 0.941 552 D HN 0.243 nan 8.370 nan 0.000 0.250 553 G N -0.970 107.778 108.800 -0.086 0.000 3.366 553 G HA2 0.503 4.463 3.960 -0.000 0.000 0.179 553 G HA3 0.503 4.463 3.960 -0.000 0.000 0.179 553 G C -1.194 173.485 174.900 -0.368 0.000 1.143 553 G CA -0.425 44.573 45.100 -0.171 0.000 0.810 553 G HN 0.116 nan 8.290 nan 0.000 0.697 554 F N -0.991 118.953 119.950 -0.009 0.000 2.575 554 F HA 0.737 5.264 4.527 -0.000 0.000 0.330 554 F C 0.201 176.076 175.800 0.124 0.000 1.056 554 F CA -0.589 57.420 58.000 0.015 0.000 0.964 554 F CB 2.195 41.162 39.000 -0.055 0.000 1.258 554 F HN 0.539 nan 8.300 nan 0.000 0.484 560 N N -0.126 118.614 118.700 0.066 0.000 1.298 560 N HA -0.260 4.480 4.740 -0.000 0.000 0.150 560 N C -1.254 174.292 175.510 0.061 0.000 0.831 560 N CA 2.212 55.293 53.050 0.052 0.000 0.997 560 N CB -0.876 37.631 38.487 0.033 0.000 1.257 560 N HN 0.863 nan 8.380 nan 0.000 0.511 561 E N -0.428 119.801 120.200 0.047 0.000 2.288 561 E HA 0.446 4.796 4.350 -0.000 0.000 0.268 561 E C -0.904 175.738 176.600 0.071 0.000 0.885 561 E CA -0.812 55.635 56.400 0.079 0.000 0.767 561 E CB 1.100 30.849 29.700 0.083 0.000 1.220 561 E HN 0.380 nan 8.360 nan 0.000 0.427 562 F N 3.039 122.975 119.950 -0.024 0.000 2.539 562 F HA -0.003 4.524 4.527 -0.000 0.000 0.393 562 F C -0.110 175.653 175.800 -0.061 0.000 1.032 562 F CA 0.356 58.326 58.000 -0.050 0.000 1.120 562 F CB 0.279 39.273 39.000 -0.010 0.000 1.014 562 F HN 0.476 nan 8.300 nan 0.000 0.546 563 D N 7.353 127.344 120.400 -0.683 0.000 2.412 563 D HA 0.058 4.698 4.640 -0.000 0.000 0.224 563 D C 1.276 176.961 176.300 -1.025 0.000 1.093 563 D CA -0.247 53.337 54.000 -0.695 0.000 0.850 563 D CB 0.708 41.085 40.800 -0.705 0.000 1.046 563 D HN 0.769 nan 8.370 nan 0.000 0.507 564 I N 3.454 123.342 120.570 -1.137 0.000 2.208 564 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 564 I C 1.270 176.857 176.117 -0.883 0.000 1.097 564 I CA 1.287 61.879 61.300 -1.179 0.000 1.363 564 I CB 0.086 37.412 38.000 -1.123 0.000 1.051 564 I HN 0.311 nan 8.210 nan 0.000 0.413 565 F N -0.061 119.557 119.950 -0.555 0.000 2.113 565 F HA -0.212 4.315 4.527 -0.000 0.000 0.297 565 F C 2.479 178.180 175.800 -0.165 0.000 1.103 565 F CA 1.404 59.185 58.000 -0.366 0.000 1.248 565 F CB -1.058 37.718 39.000 -0.375 0.000 0.999 565 F HN 0.101 nan 8.300 nan 0.000 0.475 566 H N 0.208 119.201 119.070 -0.128 0.000 2.289 566 H HA -0.191 4.365 4.556 -0.000 0.000 0.294 566 H C 2.535 177.824 175.328 -0.065 0.000 1.095 566 H CA 1.848 57.840 56.048 -0.095 0.000 1.256 566 H CB -0.921 28.764 29.762 -0.129 0.000 1.359 566 H HN 0.255 nan 8.280 nan 0.000 0.487 567 S N -0.233 115.440 115.700 -0.045 0.000 2.406 567 S HA -0.035 4.435 4.470 -0.000 0.000 0.228 567 S C 2.067 176.705 174.600 0.062 0.000 1.020 567 S CA 0.690 58.913 58.200 0.039 0.000 0.965 567 S CB -0.423 62.788 63.200 0.018 0.000 0.798 567 S HN 0.323 nan 8.310 nan 0.000 0.488 568 L N 1.112 122.274 121.223 -0.102 0.000 2.552 568 L HA 0.253 4.593 4.340 -0.000 0.000 0.227 568 L C 1.747 178.635 176.870 0.029 0.000 1.146 568 L CA 0.500 55.293 54.840 -0.078 0.000 0.858 568 L CB -0.620 41.303 42.059 -0.227 0.000 0.969 568 L HN 0.650 nan 8.230 nan 0.000 0.451 569 G N 0.481 109.290 108.800 0.015 0.000 2.140 569 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.211 569 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.211 569 G C -0.213 174.715 174.900 0.048 0.000 1.013 569 G CA 0.284 45.327 45.100 -0.095 0.000 0.705 569 G HN 0.286 nan 8.290 nan 0.000 0.508 570 L N -2.605 118.641 121.223 0.039 0.000 2.389 570 L HA 1.019 5.358 4.340 -0.000 0.000 0.249 570 L C -0.184 176.734 176.870 0.081 0.000 1.083 570 L CA -1.939 52.921 54.840 0.034 0.000 0.876 570 L CB 0.791 42.797 42.059 -0.088 0.000 1.489 570 L HN 0.480 nan 8.230 nan 0.000 0.412 571 F N -0.896 118.998 119.950 -0.093 0.000 2.561 571 F HA 1.024 5.550 4.527 -0.000 0.000 0.321 571 F C -0.518 175.087 175.800 -0.326 0.000 1.065 571 F CA -1.043 56.850 58.000 -0.177 0.000 0.934 571 F CB 1.581 40.494 39.000 -0.144 0.000 1.215 571 F HN 0.773 nan 8.300 nan 0.000 0.471 572 A N 3.113 125.589 122.820 -0.574 0.000 2.374 572 A HA 0.955 5.275 4.320 -0.000 0.000 0.317 572 A C -0.919 176.591 177.584 -0.123 0.000 1.094 572 A CA -0.995 50.630 52.037 -0.686 0.000 0.765 572 A CB 1.499 19.591 19.000 -1.514 0.000 1.268 572 A HN 0.777 nan 8.150 nan 0.000 0.438 573 R N 0.122 120.736 120.500 0.190 0.000 2.698 573 R HA 0.813 5.153 4.340 -0.000 0.000 0.275 573 R C -0.869 175.695 176.300 0.441 0.000 1.001 573 R CA -0.410 55.911 56.100 0.369 0.000 0.896 573 R CB 1.795 32.310 30.300 0.358 0.000 1.218 573 R HN 0.872 nan 8.270 nan 0.000 0.462 574 T N 0.124 114.893 114.554 0.358 0.000 2.671 574 T HA 0.485 4.835 4.350 -0.000 0.000 0.300 574 T C -0.780 174.031 174.700 0.185 0.000 1.238 574 T CA -0.667 61.617 62.100 0.307 0.000 1.020 574 T CB 0.910 69.854 68.868 0.126 0.000 1.503 574 T HN 0.353 nan 8.240 nan 0.000 0.497 575 L N 2.442 123.806 121.223 0.234 0.000 2.543 575 L HA 0.090 4.430 4.340 -0.000 0.000 0.285 575 L C 1.127 177.998 176.870 0.001 0.000 1.236 575 L CA -0.016 54.898 54.840 0.122 0.000 0.871 575 L CB 0.307 42.469 42.059 0.171 0.000 1.121 575 L HN 0.791 nan 8.230 nan 0.000 0.501 576 D N 0.584 120.947 120.400 -0.062 0.000 2.190 576 D HA -0.223 4.417 4.640 -0.000 0.000 0.200 576 D C 1.182 177.466 176.300 -0.027 0.000 0.992 576 D CA 1.559 55.524 54.000 -0.059 0.000 0.854 576 D CB -0.173 40.581 40.800 -0.075 0.000 0.936 576 D HN 0.717 nan 8.370 nan 0.000 0.462 577 D N -0.193 120.201 120.400 -0.011 0.000 2.349 577 D HA -0.033 4.607 4.640 -0.000 0.000 0.214 577 D C 0.194 176.493 176.300 -0.001 0.000 1.063 577 D CA -0.157 53.842 54.000 -0.001 0.000 0.847 577 D CB 0.033 40.837 40.800 0.007 0.000 0.933 577 D HN 0.139 nan 8.370 nan 0.000 0.513 578 I N 1.468 122.029 120.570 -0.014 0.000 2.353 578 I HA 0.281 4.451 4.170 -0.000 0.000 0.293 578 I C 0.463 176.486 176.117 -0.155 0.000 0.992 578 I CA -0.694 60.570 61.300 -0.060 0.000 1.268 578 I CB 1.449 39.427 38.000 -0.037 0.000 1.387 578 I HN -0.090 nan 8.210 nan 0.000 0.478 579 L N 5.358 126.494 121.223 -0.145 0.000 2.352 579 L HA 0.495 4.835 4.340 -0.000 0.000 0.269 579 L C -0.596 176.134 176.870 -0.234 0.000 1.034 579 L CA -0.695 54.069 54.840 -0.127 0.000 0.806 579 L CB 1.082 43.140 42.059 -0.001 0.000 1.244 579 L HN 0.271 nan 8.230 nan 0.000 0.447 580 F N -0.153 119.869 119.950 0.119 0.000 2.404 580 F HA 0.228 4.755 4.527 -0.000 0.000 0.339 580 F C 0.553 176.459 175.800 0.177 0.000 1.105 580 F CA -0.383 57.737 58.000 0.200 0.000 1.087 580 F CB 1.035 40.180 39.000 0.241 0.000 1.143 580 F HN 0.412 nan 8.300 nan 0.000 0.491 581 D N 1.000 121.594 120.400 0.324 0.000 2.377 581 D HA 0.247 4.887 4.640 -0.000 0.000 0.245 581 D C -0.190 176.231 176.300 0.203 0.000 1.196 581 D CA 0.011 54.086 54.000 0.126 0.000 0.962 581 D CB 1.018 41.762 40.800 -0.093 0.000 1.127 581 D HN 0.492 nan 8.370 nan 0.000 0.471 610 E N 1.564 121.780 120.200 0.025 0.000 2.319 610 E HA 0.492 4.842 4.350 -0.000 0.000 0.268 610 E C -0.512 176.166 176.600 0.131 0.000 1.050 610 E CA -0.135 56.299 56.400 0.057 0.000 0.878 610 E CB 0.849 30.579 29.700 0.049 0.000 1.066 610 E HN 0.298 nan 8.360 nan 0.000 0.406 611 S N 2.951 118.716 115.700 0.108 0.000 2.531 611 S HA 0.111 4.581 4.470 -0.000 0.000 0.279 611 S C -0.847 173.895 174.600 0.238 0.000 1.305 611 S CA -0.674 57.613 58.200 0.145 0.000 1.058 611 S CB 0.314 63.531 63.200 0.027 0.000 0.899 611 S HN 0.510 nan 8.310 nan 0.000 0.493 612 W N 4.936 126.247 121.300 0.019 0.000 2.702 612 W HA 0.580 5.240 4.660 -0.000 0.000 0.331 612 W C -0.239 176.213 176.519 -0.112 0.000 1.049 612 W CA -1.718 55.570 57.345 -0.095 0.000 1.230 612 W CB 0.347 29.635 29.460 -0.286 0.000 1.408 612 W HN 0.793 nan 8.180 nan 0.000 0.492 613 L N 5.643 126.506 121.223 -0.599 0.000 3.865 613 L HA -0.270 4.070 4.340 -0.000 0.000 0.408 613 L C 0.209 176.909 176.870 -0.284 0.000 1.209 613 L CA 0.399 54.852 54.840 -0.645 0.000 0.940 613 L CB -0.987 40.420 42.059 -1.086 0.000 1.971 613 L HN 0.699 nan 8.230 nan 0.000 0.899 614 W N 3.614 124.756 121.300 -0.263 0.000 1.836 614 W HA 0.227 4.887 4.660 -0.000 0.000 0.449 614 W C 0.081 176.497 176.519 -0.171 0.000 0.787 614 W CA -0.100 57.132 57.345 -0.189 0.000 1.729 614 W CB 0.258 29.647 29.460 -0.120 0.000 1.802 614 W HN 0.048 nan 8.180 nan 0.000 0.257 615 K N 4.152 124.307 120.400 -0.408 0.000 2.371 615 K HA 0.254 4.574 4.320 -0.000 0.000 0.251 615 K C -0.086 176.220 176.600 -0.490 0.000 0.934 615 K CA -0.678 55.392 56.287 -0.361 0.000 0.798 615 K CB 2.326 34.662 32.500 -0.274 0.000 1.204 615 K HN 0.413 nan 8.250 nan 0.000 0.427 616 N N 0.770 119.224 118.700 -0.410 0.000 2.314 616 N HA 0.497 5.237 4.740 -0.000 0.000 0.304 616 N C -1.040 174.240 175.510 -0.382 0.000 1.073 616 N CA -0.566 52.189 53.050 -0.492 0.000 0.822 616 N CB 2.251 40.520 38.487 -0.363 0.000 1.280 616 N HN 0.220 nan 8.380 nan 0.000 0.489 617 V N 0.224 119.853 119.914 -0.475 0.000 3.202 617 V HA 0.629 4.749 4.120 -0.000 0.000 0.306 617 V C -0.951 174.967 176.094 -0.293 0.000 1.283 617 V CA -0.563 61.561 62.300 -0.293 0.000 1.065 617 V CB 2.236 33.922 31.823 -0.228 0.000 1.079 617 V HN 1.056 nan 8.190 nan 0.000 0.448 618 S N 1.566 117.179 115.700 -0.145 0.000 2.568 618 S HA 0.589 5.059 4.470 -0.000 0.000 0.302 618 S C 0.495 175.060 174.600 -0.058 0.000 1.082 618 S CA -0.602 57.546 58.200 -0.087 0.000 1.009 618 S CB 1.622 64.822 63.200 -0.000 0.000 1.069 618 S HN 0.602 nan 8.310 nan 0.000 0.500 619 I N 1.702 122.255 120.570 -0.028 0.000 2.761 619 I HA 0.194 4.363 4.170 -0.000 0.000 0.261 619 I C 1.564 177.681 176.117 0.001 0.000 1.198 619 I CA 1.151 62.451 61.300 0.000 0.000 1.482 619 I CB -0.893 37.130 38.000 0.038 0.000 1.100 619 I HN 1.135 nan 8.210 nan 0.000 0.445 620 G N 0.703 109.507 108.800 0.005 0.000 2.877 620 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.279 620 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.279 620 G C 0.596 175.502 174.900 0.009 0.000 1.431 620 G CA 0.083 45.187 45.100 0.006 0.000 0.883 620 G HN 0.224 nan 8.290 nan 0.000 0.547 621 R N 0.081 120.585 120.500 0.007 0.000 2.154 621 R HA -0.211 4.128 4.340 -0.000 0.000 0.236 621 R C 3.193 179.496 176.300 0.005 0.000 1.121 621 R CA 2.986 59.091 56.100 0.008 0.000 0.915 621 R CB -0.749 29.553 30.300 0.004 0.000 0.856 621 R HN 0.968 nan 8.270 nan 0.000 0.431 622 S N -0.832 114.867 115.700 -0.002 0.000 2.603 622 S HA 0.063 4.533 4.470 -0.000 0.000 0.229 622 S C 1.283 175.878 174.600 -0.008 0.000 0.972 622 S CA 0.587 58.783 58.200 -0.007 0.000 0.935 622 S CB 0.483 63.675 63.200 -0.013 0.000 0.769 622 S HN 0.682 nan 8.310 nan 0.000 0.536 623 G N 0.540 109.338 108.800 -0.003 0.000 2.132 623 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.234 623 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.234 623 G C 0.004 174.900 174.900 -0.007 0.000 0.989 623 G CA 0.156 45.255 45.100 -0.002 0.000 0.676 623 G HN 1.727 nan 8.290 nan 0.000 0.522 624 S N -1.469 114.224 115.700 -0.013 0.000 2.537 624 S HA 0.843 5.313 4.470 -0.000 0.000 0.271 624 S C -0.871 173.712 174.600 -0.028 0.000 1.148 624 S CA -0.940 57.245 58.200 -0.025 0.000 0.868 624 S CB 2.575 65.751 63.200 -0.040 0.000 1.115 624 S HN 0.562 nan 8.310 nan 0.000 0.461 625 R N 0.507 120.985 120.500 -0.036 0.000 2.744 625 R HA 0.527 4.867 4.340 -0.000 0.000 0.279 625 R C -1.351 174.911 176.300 -0.064 0.000 0.977 625 R CA -0.807 55.265 56.100 -0.047 0.000 0.906 625 R CB 2.392 32.663 30.300 -0.049 0.000 1.197 625 R HN 0.731 nan 8.270 nan 0.000 0.463 626 K N 2.405 122.766 120.400 -0.065 0.000 2.521 626 K HA 0.297 4.617 4.320 -0.000 0.000 0.248 626 K C -0.923 175.631 176.600 -0.078 0.000 0.978 626 K CA -0.626 55.616 56.287 -0.074 0.000 0.947 626 K CB 1.427 33.888 32.500 -0.066 0.000 1.165 626 K HN 0.166 nan 8.250 nan 0.000 0.445 627 L N 4.063 125.229 121.223 -0.095 0.000 2.312 627 L HA 0.494 4.834 4.340 -0.000 0.000 0.281 627 L C -0.848 175.965 176.870 -0.096 0.000 1.070 627 L CA -0.350 54.430 54.840 -0.101 0.000 0.805 627 L CB 0.804 42.785 42.059 -0.130 0.000 1.174 627 L HN 0.597 nan 8.230 nan 0.000 0.434 628 I N 4.266 124.791 120.570 -0.075 0.000 2.406 628 I HA 0.450 4.620 4.170 -0.000 0.000 0.290 628 I C -0.872 175.223 176.117 -0.036 0.000 0.999 628 I CA -0.190 61.076 61.300 -0.057 0.000 1.124 628 I CB 0.877 38.851 38.000 -0.044 0.000 1.289 628 I HN 0.596 nan 8.210 nan 0.000 0.441 629 E N 5.581 125.774 120.200 -0.012 0.000 2.367 629 E HA 0.379 4.729 4.350 -0.000 0.000 0.273 629 E C -1.290 175.382 176.600 0.120 0.000 0.903 629 E CA -0.727 55.707 56.400 0.057 0.000 0.764 629 E CB 2.821 32.550 29.700 0.047 0.000 1.252 629 E HN 0.225 nan 8.360 nan 0.000 0.446 630 V N 2.006 122.003 119.914 0.139 0.000 2.461 630 V HA 0.117 4.237 4.120 -0.000 0.000 0.275 630 V C 0.281 176.384 176.094 0.016 0.000 1.047 630 V CA -0.546 61.792 62.300 0.064 0.000 0.955 630 V CB 1.296 33.128 31.823 0.014 0.000 0.988 630 V HN 0.378 nan 8.190 nan 0.000 0.471 631 V N 9.108 128.951 119.914 -0.118 0.000 2.508 631 V HA 0.201 4.321 4.120 -0.000 0.000 0.281 631 V C -1.694 174.091 176.094 -0.515 0.000 1.041 631 V CA -1.333 60.677 62.300 -0.483 0.000 1.016 631 V CB 1.195 32.869 31.823 -0.249 0.000 0.984 631 V HN 0.778 nan 8.190 nan 0.000 0.478 632 P HA 0.061 nan 4.420 nan 0.000 0.269 632 P C -0.591 176.576 177.300 -0.221 0.000 1.215 632 P CA -0.269 62.570 63.100 -0.434 0.000 0.780 632 P CB 0.658 32.094 31.700 -0.441 0.000 0.898 633 D N 0.687 121.000 120.400 -0.145 0.000 2.508 633 D HA 0.266 4.906 4.640 -0.000 0.000 0.224 633 D C -0.345 175.881 176.300 -0.124 0.000 1.171 633 D CA 0.495 54.433 54.000 -0.104 0.000 1.006 633 D CB -0.523 40.233 40.800 -0.072 0.000 1.073 633 D HN 0.186 nan 8.370 nan 0.000 0.513 634 T N 0.477 114.958 114.554 -0.122 0.000 2.885 634 T HA 0.387 4.736 4.350 -0.000 0.000 0.322 634 T C -0.985 173.620 174.700 -0.157 0.000 1.387 634 T CA -0.675 61.323 62.100 -0.170 0.000 1.041 634 T CB 1.353 70.150 68.868 -0.119 0.000 1.287 634 T HN -0.057 nan 8.240 nan 0.000 0.491 635 T N 3.146 117.552 114.554 -0.245 0.000 2.781 635 T HA 0.651 5.001 4.350 -0.000 0.000 0.305 635 T C -0.366 174.210 174.700 -0.206 0.000 1.001 635 T CA -0.329 61.659 62.100 -0.187 0.000 0.950 635 T CB 0.645 69.391 68.868 -0.203 0.000 0.955 635 T HN 0.815 nan 8.240 nan 0.000 0.471 636 T N 1.286 115.715 114.554 -0.209 0.000 2.718 636 T HA 0.586 4.936 4.350 -0.000 0.000 0.306 636 T C -1.458 172.996 174.700 -0.409 0.000 1.485 636 T CA -0.726 61.157 62.100 -0.362 0.000 0.997 636 T CB 1.237 69.754 68.868 -0.586 0.000 1.504 636 T HN 0.456 nan 8.240 nan 0.000 0.497 637 S N 0.769 116.182 115.700 -0.477 0.000 2.473 637 S HA 0.749 5.219 4.470 -0.000 0.000 0.307 637 S C -1.258 173.035 174.600 -0.512 0.000 1.094 637 S CA -0.842 57.128 58.200 -0.383 0.000 1.070 637 S CB 0.665 63.765 63.200 -0.167 0.000 1.019 637 S HN 0.690 nan 8.310 nan 0.000 0.480 638 W N 1.111 122.183 121.300 -0.379 0.000 2.512 638 W HA 0.559 5.219 4.660 -0.000 0.000 0.335 638 W C -0.774 175.672 176.519 -0.121 0.000 1.088 638 W CA -0.802 56.342 57.345 -0.336 0.000 1.236 638 W CB 0.980 30.012 29.460 -0.712 0.000 1.307 638 W HN 0.711 nan 8.180 nan 0.000 0.567 639 Y N 3.660 124.081 120.300 0.202 0.000 2.447 639 Y HA 0.423 4.973 4.550 -0.000 0.000 0.325 639 Y C -0.828 175.181 175.900 0.182 0.000 0.976 639 Y CA -1.124 57.072 58.100 0.160 0.000 1.280 639 Y CB 0.550 39.116 38.460 0.176 0.000 1.104 639 Y HN 0.214 nan 8.280 nan 0.000 0.486 640 L N 5.886 127.137 121.223 0.047 0.000 2.295 640 L HA 0.708 5.048 4.340 -0.000 0.000 0.285 640 L C -0.186 176.564 176.870 -0.200 0.000 1.035 640 L CA -0.016 54.810 54.840 -0.024 0.000 0.806 640 L CB 1.225 43.302 42.059 0.031 0.000 1.214 640 L HN 0.629 nan 8.230 nan 0.000 0.426 641 T N 1.346 115.786 114.554 -0.189 0.000 2.907 641 T HA 0.936 5.286 4.350 -0.000 0.000 0.292 641 T C -0.310 174.336 174.700 -0.090 0.000 1.043 641 T CA -0.388 61.498 62.100 -0.358 0.000 1.003 641 T CB 1.750 70.399 68.868 -0.365 0.000 1.084 641 T HN 0.963 nan 8.240 nan 0.000 0.483 642 G N 1.746 110.588 108.800 0.071 0.000 2.753 642 G HA2 0.640 4.600 3.960 -0.000 0.000 0.295 642 G HA3 0.640 4.600 3.960 -0.000 0.000 0.295 642 G C -1.324 173.921 174.900 0.576 0.000 1.437 642 G CA -1.031 44.235 45.100 0.276 0.000 1.094 642 G HN 0.955 nan 8.290 nan 0.000 0.540 643 F N 0.135 120.176 119.950 0.152 0.000 2.620 643 F HA 0.915 5.441 4.527 -0.000 0.000 0.320 643 F C -0.322 175.132 175.800 -0.577 0.000 1.069 643 F CA -1.611 56.351 58.000 -0.063 0.000 0.953 643 F CB 2.202 41.287 39.000 0.141 0.000 1.322 643 F HN 0.559 nan 8.300 nan 0.000 0.479 644 S N 1.143 116.600 115.700 -0.404 0.000 2.541 644 S HA 0.808 5.278 4.470 -0.000 0.000 0.280 644 S C -1.459 173.182 174.600 0.070 0.000 1.112 644 S CA -0.634 57.313 58.200 -0.422 0.000 0.925 644 S CB 1.140 63.872 63.200 -0.779 0.000 1.067 644 S HN 0.659 nan 8.310 nan 0.000 0.479 645 I N 3.112 123.766 120.570 0.140 0.000 2.447 645 I HA 0.357 4.527 4.170 -0.000 0.000 0.287 645 I C -1.051 175.117 176.117 0.084 0.000 1.023 645 I CA -0.618 60.768 61.300 0.143 0.000 1.083 645 I CB 2.000 40.083 38.000 0.138 0.000 1.245 645 I HN 0.582 nan 8.210 nan 0.000 0.434 646 D N 7.593 128.049 120.400 0.092 0.000 2.193 646 D HA 0.368 5.008 4.640 -0.000 0.000 0.244 646 D C -1.823 174.491 176.300 0.023 0.000 1.064 646 D CA -1.940 52.111 54.000 0.086 0.000 0.845 646 D CB 2.156 43.079 40.800 0.205 0.000 1.148 646 D HN 0.165 nan 8.370 nan 0.000 0.464 647 P HA -0.166 nan 4.420 nan 0.000 0.220 647 P C 0.652 177.898 177.300 -0.090 0.000 1.144 647 P CA 0.690 63.751 63.100 -0.064 0.000 0.800 647 P CB 0.340 31.999 31.700 -0.068 0.000 0.772 648 V N -3.300 116.529 119.914 -0.141 0.000 2.854 648 V HA -0.005 4.115 4.120 -0.000 0.000 0.236 648 V C 1.688 177.593 176.094 -0.316 0.000 1.157 648 V CA 0.854 62.971 62.300 -0.307 0.000 1.187 648 V CB -0.902 30.597 31.823 -0.540 0.000 0.949 648 V HN -0.055 nan 8.190 nan 0.000 0.488 649 Y N 1.184 121.495 120.300 0.018 0.000 2.544 649 Y HA 0.445 4.995 4.550 -0.000 0.000 0.286 649 Y C 1.703 177.627 175.900 0.040 0.000 1.141 649 Y CA 0.746 58.865 58.100 0.032 0.000 1.299 649 Y CB -0.119 38.370 38.460 0.049 0.000 1.030 649 Y HN 0.400 nan 8.280 nan 0.000 0.543 650 G N 1.027 109.910 108.800 0.139 0.000 2.512 650 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.240 650 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.240 650 G C -0.928 174.060 174.900 0.147 0.000 1.246 650 G CA -0.379 44.782 45.100 0.102 0.000 0.919 650 G HN 0.177 nan 8.290 nan 0.000 0.577 651 L N 2.126 123.441 121.223 0.152 0.000 2.360 651 L HA 0.671 5.011 4.340 -0.000 0.000 0.276 651 L C 0.889 177.973 176.870 0.357 0.000 1.121 651 L CA 1.016 55.988 54.840 0.221 0.000 0.845 651 L CB 0.598 42.776 42.059 0.198 0.000 1.143 651 L HN 1.542 nan 8.230 nan 0.000 0.452 652 G N 5.643 114.616 108.800 0.289 0.000 2.566 652 G HA2 0.683 4.642 3.960 -0.000 0.000 0.311 652 G HA3 0.683 4.642 3.960 -0.000 0.000 0.311 652 G C -1.498 173.514 174.900 0.186 0.000 1.322 652 G CA -0.410 44.872 45.100 0.304 0.000 0.969 652 G HN 0.647 nan 8.290 nan 0.000 0.490 653 I N 1.026 121.609 120.570 0.021 0.000 2.865 653 I HA 0.482 4.652 4.170 -0.000 0.000 0.302 653 I C -0.030 176.173 176.117 0.144 0.000 1.140 653 I CA -1.309 60.002 61.300 0.018 0.000 1.021 653 I CB 2.778 40.475 38.000 -0.506 0.000 1.233 653 I HN 0.630 nan 8.210 nan 0.000 0.427 654 I N 1.571 122.371 120.570 0.382 0.000 2.532 654 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 654 I C 0.979 177.228 176.117 0.221 0.000 1.014 654 I CA -0.513 60.928 61.300 0.236 0.000 1.340 654 I CB 1.105 39.212 38.000 0.178 0.000 1.422 654 I HN 0.602 nan 8.210 nan 0.000 0.528 655 K N 4.651 125.107 120.400 0.093 0.000 1.980 655 K HA -0.156 4.164 4.320 -0.000 0.000 0.223 655 K C 0.290 176.991 176.600 0.168 0.000 1.052 655 K CA 2.179 58.514 56.287 0.080 0.000 0.974 655 K CB -0.004 32.517 32.500 0.035 0.000 0.734 655 K HN 0.848 nan 8.250 nan 0.000 0.447 656 K N -0.068 120.404 120.400 0.120 0.000 2.340 656 K HA 0.446 4.765 4.320 -0.000 0.000 0.244 656 K C -2.766 173.796 176.600 -0.063 0.000 0.973 656 K CA -2.341 54.013 56.287 0.111 0.000 0.828 656 K CB 1.671 34.201 32.500 0.050 0.000 1.226 656 K HN -0.186 nan 8.250 nan 0.000 0.437 657 P HA 0.052 nan 4.420 nan 0.000 0.267 657 P C -0.629 176.412 177.300 -0.432 0.000 1.200 657 P CA -0.036 62.709 63.100 -0.592 0.000 0.772 657 P CB 0.361 31.436 31.700 -1.040 0.000 0.855 658 I N 2.779 123.161 120.570 -0.313 0.000 2.441 658 I HA 0.110 4.279 4.170 -0.000 0.000 0.287 658 I C 0.756 176.847 176.117 -0.044 0.000 1.049 658 I CA 0.197 61.423 61.300 -0.123 0.000 1.381 658 I CB 0.236 38.209 38.000 -0.045 0.000 1.409 658 I HN 0.215 nan 8.210 nan 0.000 0.523 659 Q N 7.009 126.842 119.800 0.055 0.000 2.353 659 Q HA 0.695 5.035 4.340 -0.000 0.000 0.268 659 Q C -1.275 174.923 176.000 0.330 0.000 1.045 659 Q CA -0.710 55.166 55.803 0.121 0.000 0.811 659 Q CB 2.846 31.607 28.738 0.038 0.000 1.305 659 Q HN 0.561 nan 8.270 nan 0.000 0.447 660 F N -2.138 117.901 119.950 0.149 0.000 2.741 660 F HA 0.663 5.189 4.527 -0.000 0.000 0.311 660 F C -0.947 174.981 175.800 0.213 0.000 1.149 660 F CA -1.095 56.997 58.000 0.153 0.000 0.930 660 F CB 1.023 40.110 39.000 0.144 0.000 1.312 660 F HN 0.379 nan 8.300 nan 0.000 0.450 661 T N -1.072 113.622 114.554 0.234 0.000 2.885 661 T HA 0.753 5.103 4.350 -0.000 0.000 0.285 661 T C -0.607 174.251 174.700 0.263 0.000 1.019 661 T CA -0.302 61.873 62.100 0.125 0.000 1.010 661 T CB 1.537 70.443 68.868 0.062 0.000 1.022 661 T HN 1.139 nan 8.240 nan 0.000 0.466 662 T N -0.358 114.322 114.554 0.210 0.000 2.792 662 T HA 0.642 4.992 4.350 -0.000 0.000 0.280 662 T C -0.706 174.044 174.700 0.083 0.000 0.990 662 T CA -0.746 61.476 62.100 0.203 0.000 0.960 662 T CB 1.010 70.039 68.868 0.269 0.000 0.939 662 T HN 0.611 nan 8.240 nan 0.000 0.439 663 V N 4.114 124.074 119.914 0.076 0.000 2.409 663 V HA 0.323 4.443 4.120 -0.000 0.000 0.290 663 V C 0.073 176.205 176.094 0.065 0.000 1.017 663 V CA -0.906 61.425 62.300 0.053 0.000 0.841 663 V CB 1.408 33.274 31.823 0.070 0.000 1.003 663 V HN 0.946 nan 8.190 nan 0.000 0.426 664 Q N 6.114 125.937 119.800 0.038 0.000 2.274 664 Q HA 0.112 4.452 4.340 -0.000 0.000 0.280 664 Q C -1.483 174.631 176.000 0.191 0.000 1.047 664 Q CA -1.203 54.651 55.803 0.084 0.000 0.907 664 Q CB 1.081 29.827 28.738 0.013 0.000 1.171 664 Q HN 0.461 nan 8.270 nan 0.000 0.381 665 P HA -0.132 nan 4.420 nan 0.000 0.217 665 P C -0.513 177.012 177.300 0.376 0.000 1.150 665 P CA 1.216 64.458 63.100 0.237 0.000 0.832 665 P CB 0.288 32.099 31.700 0.185 0.000 0.787 666 F N -0.394 119.681 119.950 0.210 0.000 2.639 666 F HA 0.469 4.995 4.527 -0.000 0.000 0.326 666 F C -1.779 174.202 175.800 0.301 0.000 1.150 666 F CA -1.265 56.859 58.000 0.208 0.000 1.057 666 F CB 0.865 39.933 39.000 0.112 0.000 1.300 666 F HN -0.143 nan 8.300 nan 0.000 0.486 667 Y N 5.189 125.133 120.300 -0.594 0.000 2.625 667 Y HA 0.778 5.328 4.550 -0.000 0.000 0.338 667 Y C -2.062 173.580 175.900 -0.430 0.000 1.123 667 Y CA -1.945 55.880 58.100 -0.458 0.000 1.046 667 Y CB 1.254 39.630 38.460 -0.140 0.000 1.299 667 Y HN 0.726 nan 8.280 nan 0.000 0.464 668 I N 2.450 122.941 120.570 -0.132 0.000 2.545 668 I HA 0.724 4.894 4.170 -0.000 0.000 0.292 668 I C -1.622 174.624 176.117 0.215 0.000 1.040 668 I CA -1.155 60.121 61.300 -0.040 0.000 1.068 668 I CB 1.756 39.719 38.000 -0.062 0.000 1.251 668 I HN 0.617 nan 8.210 nan 0.000 0.424 669 V N 6.755 126.846 119.914 0.296 0.000 2.495 669 V HA 0.383 4.503 4.120 -0.000 0.000 0.298 669 V C -0.086 176.226 176.094 0.365 0.000 1.031 669 V CA -0.675 61.832 62.300 0.346 0.000 0.871 669 V CB 1.569 33.625 31.823 0.387 0.000 0.988 669 V HN 0.753 nan 8.190 nan 0.000 0.432 670 E N 3.844 124.246 120.200 0.337 0.000 2.318 670 E HA 0.269 4.619 4.350 -0.000 0.000 0.265 670 E C -0.881 175.792 176.600 0.121 0.000 1.069 670 E CA -0.668 55.868 56.400 0.228 0.000 0.893 670 E CB 1.706 31.550 29.700 0.240 0.000 1.076 670 E HN 0.626 nan 8.360 nan 0.000 0.414 671 N N 2.367 121.059 118.700 -0.014 0.000 2.685 671 N HA 0.265 5.005 4.740 -0.000 0.000 0.252 671 N C -1.840 173.749 175.510 0.130 0.000 1.261 671 N CA -0.288 52.855 53.050 0.155 0.000 0.768 671 N CB 0.037 38.657 38.487 0.221 0.000 1.304 671 N HN 0.480 nan 8.380 nan 0.000 0.536 672 L N 2.129 123.330 121.223 -0.037 0.000 2.333 672 L HA 0.777 5.117 4.340 -0.000 0.000 0.269 672 L C -1.924 174.460 176.870 -0.810 0.000 1.010 672 L CA -1.990 52.623 54.840 -0.379 0.000 0.818 672 L CB 1.988 43.912 42.059 -0.225 0.000 1.306 672 L HN 0.311 nan 8.230 nan 0.000 0.430 673 P HA -0.008 nan 4.420 nan 0.000 0.274 673 P C -0.068 177.071 177.300 -0.269 0.000 1.231 673 P CA -0.226 62.344 63.100 -0.884 0.000 0.790 673 P CB 0.865 32.161 31.700 -0.674 0.000 0.951 674 Y N 2.254 122.461 120.300 -0.155 0.000 2.181 674 Y HA -0.136 4.414 4.550 -0.000 0.000 0.288 674 Y C 0.929 176.787 175.900 -0.069 0.000 1.146 674 Y CA 1.913 59.978 58.100 -0.058 0.000 1.164 674 Y CB 0.200 38.682 38.460 0.036 0.000 0.982 674 Y HN 0.516 nan 8.280 nan 0.000 0.515 675 S N -0.057 115.679 115.700 0.061 0.000 2.588 675 S HA 0.664 5.134 4.470 -0.000 0.000 0.275 675 S C -0.875 173.724 174.600 -0.001 0.000 1.130 675 S CA -0.401 57.795 58.200 -0.008 0.000 0.855 675 S CB 2.114 65.390 63.200 0.126 0.000 1.116 675 S HN 0.424 nan 8.310 nan 0.000 0.472 676 I N -2.054 118.503 120.570 -0.021 0.000 3.354 676 I HA 0.746 4.916 4.170 -0.000 0.000 0.316 676 I C -1.600 174.518 176.117 0.003 0.000 1.182 676 I CA -1.424 59.875 61.300 -0.002 0.000 0.942 676 I CB 2.071 40.060 38.000 -0.018 0.000 1.299 676 I HN 0.611 nan 8.210 nan 0.000 0.473 677 K N 1.108 121.515 120.400 0.012 0.000 2.318 677 K HA 0.538 4.858 4.320 -0.000 0.000 0.249 677 K C -0.863 175.738 176.600 0.003 0.000 0.942 677 K CA -0.877 55.416 56.287 0.010 0.000 0.808 677 K CB 2.079 34.593 32.500 0.023 0.000 1.189 677 K HN 0.450 nan 8.250 nan 0.000 0.428 678 R N 0.381 120.879 120.500 -0.003 0.000 2.566 678 R HA -0.078 4.262 4.340 -0.000 0.000 0.273 678 R C 0.907 177.207 176.300 -0.000 0.000 0.981 678 R CA 1.884 57.980 56.100 -0.008 0.000 1.091 678 R CB -0.016 30.278 30.300 -0.010 0.000 0.924 678 R HN 1.015 nan 8.270 nan 0.000 0.411 679 G N 2.103 110.902 108.800 -0.002 0.000 2.241 679 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.244 679 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.244 679 G C -0.109 174.799 174.900 0.013 0.000 0.998 679 G CA 0.031 45.134 45.100 0.005 0.000 0.621 679 G HN 0.621 nan 8.290 nan 0.000 0.519 680 E N 0.997 121.207 120.200 0.016 0.000 2.338 680 E HA 0.527 4.877 4.350 -0.000 0.000 0.272 680 E C 0.455 177.074 176.600 0.031 0.000 1.029 680 E CA 0.177 56.593 56.400 0.027 0.000 0.872 680 E CB 1.170 30.889 29.700 0.031 0.000 1.015 680 E HN 0.638 nan 8.360 nan 0.000 0.417 681 A N 3.415 126.261 122.820 0.043 0.000 2.279 681 A HA 0.394 4.714 4.320 -0.000 0.000 0.306 681 A C -0.386 177.239 177.584 0.069 0.000 1.300 681 A CA -0.546 51.524 52.037 0.056 0.000 0.925 681 A CB 0.310 19.346 19.000 0.060 0.000 1.152 681 A HN 0.356 nan 8.150 nan 0.000 0.544 682 V N 3.229 123.188 119.914 0.074 0.000 2.628 682 V HA 0.397 4.517 4.120 -0.000 0.000 0.306 682 V C -0.098 176.064 176.094 0.114 0.000 1.045 682 V CA -0.703 61.646 62.300 0.080 0.000 0.905 682 V CB 1.834 33.685 31.823 0.046 0.000 0.997 682 V HN 0.560 nan 8.190 nan 0.000 0.436 683 V N 5.481 125.469 119.914 0.124 0.000 2.364 683 V HA 0.370 4.490 4.120 -0.000 0.000 0.272 683 V C -0.059 176.116 176.094 0.135 0.000 1.036 683 V CA -0.357 62.032 62.300 0.149 0.000 0.880 683 V CB 1.251 33.157 31.823 0.139 0.000 0.991 683 V HN 0.605 nan 8.190 nan 0.000 0.460 684 L N 5.790 127.111 121.223 0.163 0.000 2.261 684 L HA 0.459 4.799 4.340 -0.000 0.000 0.289 684 L C 0.154 177.003 176.870 -0.036 0.000 1.059 684 L CA -0.182 54.683 54.840 0.042 0.000 0.816 684 L CB 0.886 43.041 42.059 0.160 0.000 1.191 684 L HN 0.646 nan 8.230 nan 0.000 0.431 685 Q N 2.746 122.438 119.800 -0.181 0.000 2.235 685 Q HA 0.649 4.989 4.340 -0.000 0.000 0.250 685 Q C -1.269 174.455 176.000 -0.460 0.000 0.909 685 Q CA -0.141 55.591 55.803 -0.117 0.000 0.910 685 Q CB 1.854 30.626 28.738 0.057 0.000 1.223 685 Q HN 0.346 nan 8.270 nan 0.000 0.432 686 F N -0.816 119.203 119.950 0.116 0.000 2.664 686 F HA 0.595 5.122 4.527 -0.000 0.000 0.317 686 F C -0.282 175.532 175.800 0.023 0.000 1.108 686 F CA -0.837 57.225 58.000 0.104 0.000 0.957 686 F CB 2.312 41.382 39.000 0.117 0.000 1.365 686 F HN 0.249 nan 8.300 nan 0.000 0.475 687 T N 2.097 116.775 114.554 0.206 0.000 2.916 687 T HA 0.676 5.026 4.350 -0.000 0.000 0.298 687 T C -0.995 173.605 174.700 -0.167 0.000 1.031 687 T CA -0.583 61.498 62.100 -0.032 0.000 0.993 687 T CB 1.594 70.474 68.868 0.019 0.000 1.045 687 T HN 0.330 nan 8.240 nan 0.000 0.454 688 L N 2.576 123.552 121.223 -0.412 0.000 2.331 688 L HA 0.730 5.070 4.340 -0.000 0.000 0.275 688 L C -1.144 175.242 176.870 -0.807 0.000 1.022 688 L CA -0.792 53.783 54.840 -0.443 0.000 0.812 688 L CB 1.109 43.049 42.059 -0.198 0.000 1.257 688 L HN 0.583 nan 8.230 nan 0.000 0.435 689 F N 1.133 120.764 119.950 -0.531 0.000 2.539 689 F HA 0.374 4.901 4.527 -0.000 0.000 0.318 689 F C -0.166 175.507 175.800 -0.213 0.000 1.135 689 F CA -0.752 56.963 58.000 -0.474 0.000 0.915 689 F CB 1.794 40.217 39.000 -0.962 0.000 1.176 689 F HN 0.342 nan 8.300 nan 0.000 0.440 690 N N 2.158 120.968 118.700 0.184 0.000 2.442 690 N HA 0.293 5.033 4.740 -0.000 0.000 0.274 690 N C -0.549 175.111 175.510 0.250 0.000 1.002 690 N CA -0.382 52.852 53.050 0.306 0.000 0.910 690 N CB 0.726 39.379 38.487 0.277 0.000 1.244 690 N HN 0.478 nan 8.380 nan 0.000 0.492 691 N N 2.803 121.664 118.700 0.269 0.000 2.236 691 N HA 0.174 4.914 4.740 -0.000 0.000 0.196 691 N C 0.184 175.800 175.510 0.177 0.000 1.114 691 N CA 0.001 53.177 53.050 0.210 0.000 0.859 691 N CB 0.574 39.188 38.487 0.212 0.000 0.982 691 N HN 0.504 nan 8.380 nan 0.000 0.493 692 L N -0.746 120.601 121.223 0.206 0.000 2.464 692 L HA 0.203 4.543 4.340 -0.000 0.000 0.224 692 L C 1.852 178.811 176.870 0.148 0.000 1.219 692 L CA -0.135 54.822 54.840 0.195 0.000 0.831 692 L CB 0.201 42.434 42.059 0.289 0.000 1.284 692 L HN 0.033 nan 8.230 nan 0.000 0.522 693 G N -0.885 107.993 108.800 0.130 0.000 3.088 693 G HA2 0.436 4.396 3.960 -0.000 0.000 0.212 693 G HA3 0.436 4.396 3.960 -0.000 0.000 0.212 693 G C 0.109 175.006 174.900 -0.006 0.000 1.173 693 G CA 0.692 45.828 45.100 0.060 0.000 0.779 693 G HN 0.657 nan 8.290 nan 0.000 0.540 694 A N -0.444 122.339 122.820 -0.063 0.000 2.606 694 A HA 0.675 4.995 4.320 -0.000 0.000 0.293 694 A C -0.865 176.400 177.584 -0.531 0.000 1.082 694 A CA -0.710 51.144 52.037 -0.304 0.000 0.685 694 A CB 1.178 19.935 19.000 -0.405 0.000 1.284 694 A HN 0.113 nan 8.150 nan 0.000 0.408 695 E N 0.400 120.310 120.200 -0.482 0.000 2.324 695 E HA 0.450 4.800 4.350 -0.000 0.000 0.271 695 E C -1.592 174.659 176.600 -0.582 0.000 1.028 695 E CA 0.334 56.510 56.400 -0.374 0.000 0.890 695 E CB 0.332 29.906 29.700 -0.210 0.000 1.004 695 E HN 0.480 nan 8.360 nan 0.000 0.431 696 Y N 3.236 123.518 120.300 -0.031 0.000 2.477 696 Y HA 0.349 4.899 4.550 -0.000 0.000 0.347 696 Y C 0.063 175.923 175.900 -0.067 0.000 0.981 696 Y CA -1.179 56.888 58.100 -0.056 0.000 1.033 696 Y CB 1.404 39.815 38.460 -0.082 0.000 1.245 696 Y HN 0.402 nan 8.280 nan 0.000 0.455 697 I N 3.391 124.023 120.570 0.102 0.000 2.517 697 I HA 0.221 4.391 4.170 -0.000 0.000 0.285 697 I C 0.303 176.408 176.117 -0.021 0.000 1.106 697 I CA 0.041 61.353 61.300 0.021 0.000 1.402 697 I CB 0.376 38.377 38.000 0.002 0.000 1.399 697 I HN 0.638 nan 8.210 nan 0.000 0.535 698 A N 6.238 129.043 122.820 -0.025 0.000 2.303 698 A HA 0.515 4.835 4.320 -0.000 0.000 0.317 698 A C -0.761 176.805 177.584 -0.031 0.000 1.149 698 A CA -0.682 51.327 52.037 -0.046 0.000 0.822 698 A CB 0.554 19.611 19.000 0.095 0.000 1.131 698 A HN 0.643 nan 8.150 nan 0.000 0.493 699 D N 1.448 121.826 120.400 -0.038 0.000 2.425 699 D HA 0.464 5.104 4.640 -0.000 0.000 0.240 699 D C -0.927 175.372 176.300 -0.001 0.000 1.080 699 D CA 0.002 53.983 54.000 -0.032 0.000 0.836 699 D CB 1.745 42.514 40.800 -0.052 0.000 1.125 699 D HN 0.139 nan 8.370 nan 0.000 0.525 700 V N 2.246 122.158 119.914 -0.003 0.000 2.417 700 V HA 0.464 4.584 4.120 -0.000 0.000 0.291 700 V C 0.197 176.275 176.094 -0.026 0.000 1.024 700 V CA -0.441 61.868 62.300 0.016 0.000 0.861 700 V CB 1.903 33.759 31.823 0.055 0.000 0.985 700 V HN 0.472 nan 8.190 nan 0.000 0.436 701 T N 6.170 120.630 114.554 -0.158 0.000 2.792 701 T HA 0.588 4.938 4.350 -0.000 0.000 0.280 701 T C -0.719 173.641 174.700 -0.568 0.000 0.990 701 T CA -0.311 61.560 62.100 -0.382 0.000 0.960 701 T CB 1.450 70.062 68.868 -0.426 0.000 0.939 701 T HN 0.411 nan 8.240 nan 0.000 0.439 702 L N 4.293 125.047 121.223 -0.783 0.000 2.296 702 L HA 0.597 4.937 4.340 -0.000 0.000 0.286 702 L C -1.470 175.184 176.870 -0.360 0.000 1.023 702 L CA -0.645 53.817 54.840 -0.630 0.000 0.812 702 L CB 0.428 41.884 42.059 -1.006 0.000 1.223 702 L HN 0.569 nan 8.230 nan 0.000 0.421 703 Y N 2.807 123.105 120.300 -0.003 0.000 2.352 703 Y HA 0.359 4.909 4.550 -0.000 0.000 0.326 703 Y C 0.478 176.456 175.900 0.130 0.000 1.166 703 Y CA -0.340 57.816 58.100 0.093 0.000 1.182 703 Y CB 0.985 39.461 38.460 0.027 0.000 1.216 703 Y HN 0.656 nan 8.280 nan 0.000 0.474 704 N N 1.860 120.750 118.700 0.318 0.000 2.645 704 N HA 0.186 4.926 4.740 -0.000 0.000 0.233 704 N C -1.653 173.911 175.510 0.090 0.000 1.058 704 N CA -0.176 52.932 53.050 0.096 0.000 0.942 704 N CB 0.201 38.712 38.487 0.039 0.000 1.210 704 N HN 0.368 nan 8.380 nan 0.000 0.512 705 V N 2.809 122.757 119.914 0.057 0.000 2.455 705 V HA 0.355 4.475 4.120 -0.000 0.000 0.273 705 V C 1.046 177.140 176.094 -0.001 0.000 1.045 705 V CA -0.306 62.012 62.300 0.030 0.000 0.976 705 V CB 0.195 32.028 31.823 0.017 0.000 0.993 705 V HN 0.819 nan 8.190 nan 0.000 0.475 706 A N 5.241 128.060 122.820 -0.000 0.000 2.511 706 A HA -0.268 4.051 4.320 -0.000 0.000 0.297 706 A C 1.364 178.937 177.584 -0.019 0.000 1.476 706 A CA 1.140 53.171 52.037 -0.010 0.000 0.757 706 A CB -1.885 17.105 19.000 -0.016 0.000 1.072 706 A HN 1.455 nan 8.150 nan 0.000 0.413 707 N N -1.998 116.690 118.700 -0.020 0.000 2.741 707 N HA -0.264 4.476 4.740 -0.000 0.000 0.250 707 N C 0.844 176.318 175.510 -0.059 0.000 1.115 707 N CA 1.593 54.621 53.050 -0.037 0.000 0.724 707 N CB -0.778 37.694 38.487 -0.026 0.000 1.090 707 N HN 0.938 nan 8.380 nan 0.000 0.558 708 Q N -0.984 118.776 119.800 -0.068 0.000 2.212 708 Q HA 0.064 4.404 4.340 -0.000 0.000 0.199 708 Q C 0.062 175.989 176.000 -0.121 0.000 0.950 708 Q CA 1.015 56.771 55.803 -0.078 0.000 0.863 708 Q CB 0.365 29.066 28.738 -0.061 0.000 0.944 708 Q HN 0.287 nan 8.270 nan 0.000 0.465 709 T N 1.035 115.474 114.554 -0.191 0.000 2.770 709 T HA 0.237 4.587 4.350 -0.000 0.000 0.283 709 T C -0.895 173.515 174.700 -0.482 0.000 0.988 709 T CA -0.567 61.337 62.100 -0.328 0.000 0.957 709 T CB 1.702 70.316 68.868 -0.423 0.000 0.930 709 T HN 0.080 nan 8.240 nan 0.000 0.443 710 E N 3.165 123.154 120.200 -0.351 0.000 2.227 710 E HA 0.312 4.662 4.350 -0.000 0.000 0.282 710 E C -1.078 175.313 176.600 -0.349 0.000 1.015 710 E CA -0.684 55.528 56.400 -0.313 0.000 0.823 710 E CB 0.531 30.156 29.700 -0.124 0.000 1.081 710 E HN 0.478 nan 8.360 nan 0.000 0.396 711 F N 4.063 124.016 119.950 0.004 0.000 2.390 711 F HA 0.177 4.704 4.527 -0.000 0.000 0.361 711 F C 0.231 176.019 175.800 -0.020 0.000 1.124 711 F CA -1.019 56.989 58.000 0.013 0.000 1.149 711 F CB 0.942 39.893 39.000 -0.081 0.000 1.160 711 F HN 0.153 nan 8.300 nan 0.000 0.501 712 V N 3.935 123.950 119.914 0.169 0.000 2.539 712 V HA 0.179 4.299 4.120 -0.000 0.000 0.300 712 V C 1.076 177.213 176.094 0.071 0.000 1.019 712 V CA 1.356 63.716 62.300 0.101 0.000 1.160 712 V CB -0.078 31.807 31.823 0.103 0.000 0.901 712 V HN 1.142 nan 8.190 nan 0.000 0.481 713 G N 4.435 113.256 108.800 0.036 0.000 2.176 713 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.232 713 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.232 713 G C 0.052 174.934 174.900 -0.030 0.000 0.986 713 G CA 0.074 45.177 45.100 0.006 0.000 0.643 713 G HN 0.894 nan 8.290 nan 0.000 0.522 714 R N -0.261 120.227 120.500 -0.021 0.000 2.740 714 R HA 0.662 5.002 4.340 -0.000 0.000 0.273 714 R C -2.949 173.367 176.300 0.027 0.000 0.998 714 R CA -2.054 54.027 56.100 -0.032 0.000 0.900 714 R CB 1.425 31.644 30.300 -0.134 0.000 1.223 714 R HN 0.061 nan 8.270 nan 0.000 0.466 715 P HA -0.039 nan 4.420 nan 0.000 0.266 715 P C -0.488 176.841 177.300 0.049 0.000 1.186 715 P CA 0.024 63.141 63.100 0.027 0.000 0.767 715 P CB 0.483 32.194 31.700 0.018 0.000 0.820 716 N N 0.109 118.824 118.700 0.025 0.000 2.443 716 N HA -0.124 4.616 4.740 -0.000 0.000 0.184 716 N C 1.487 177.013 175.510 0.026 0.000 1.037 716 N CA 1.558 54.614 53.050 0.011 0.000 0.896 716 N CB -0.669 37.814 38.487 -0.007 0.000 0.959 716 N HN 0.572 nan 8.380 nan 0.000 0.442 717 T N -2.568 112.009 114.554 0.037 0.000 2.985 717 T HA -0.017 4.333 4.350 -0.000 0.000 0.266 717 T C 0.364 175.106 174.700 0.070 0.000 1.076 717 T CA 0.212 62.337 62.100 0.041 0.000 1.135 717 T CB -0.255 68.631 68.868 0.029 0.000 0.890 717 T HN -0.046 nan 8.240 nan 0.000 0.480 718 D N 1.206 121.669 120.400 0.105 0.000 2.488 718 D HA 0.189 4.829 4.640 -0.000 0.000 0.238 718 D C 0.949 177.395 176.300 0.243 0.000 1.138 718 D CA 0.111 54.203 54.000 0.152 0.000 0.873 718 D CB 0.787 41.687 40.800 0.166 0.000 1.183 718 D HN 0.242 nan 8.370 nan 0.000 0.458 719 L N 0.754 122.094 121.223 0.196 0.000 2.590 719 L HA 0.136 4.476 4.340 -0.000 0.000 0.227 719 L C 0.762 177.803 176.870 0.286 0.000 1.099 719 L CA 0.128 55.102 54.840 0.223 0.000 0.872 719 L CB -0.104 42.052 42.059 0.162 0.000 1.088 719 L HN 0.368 nan 8.230 nan 0.000 0.479 720 S N -2.061 113.728 115.700 0.147 0.000 2.615 720 S HA 0.569 5.039 4.470 -0.000 0.000 0.269 720 S C -1.761 172.555 174.600 -0.473 0.000 1.161 720 S CA -0.659 57.462 58.200 -0.132 0.000 0.817 720 S CB 2.428 65.424 63.200 -0.340 0.000 1.131 720 S HN -0.008 nan 8.310 nan 0.000 0.467 721 Y N 0.620 120.425 120.300 -0.826 0.000 2.396 721 Y HA 0.667 5.216 4.550 -0.000 0.000 0.332 721 Y C -1.328 174.355 175.900 -0.361 0.000 1.034 721 Y CA -0.724 56.937 58.100 -0.732 0.000 1.057 721 Y CB 2.023 39.780 38.460 -1.171 0.000 1.220 721 Y HN 0.935 nan 8.280 nan 0.000 0.440 722 T N 6.880 121.371 114.554 -0.105 0.000 2.812 722 T HA 0.568 4.917 4.350 -0.000 0.000 0.282 722 T C -0.883 173.705 174.700 -0.186 0.000 0.990 722 T CA -0.831 61.178 62.100 -0.151 0.000 0.960 722 T CB 1.208 70.011 68.868 -0.110 0.000 0.948 722 T HN 0.463 nan 8.240 nan 0.000 0.438 723 K N 1.493 121.787 120.400 -0.176 0.000 2.328 723 K HA 0.776 5.095 4.320 -0.000 0.000 0.246 723 K C -0.629 175.892 176.600 -0.132 0.000 0.955 723 K CA -0.862 55.292 56.287 -0.220 0.000 0.817 723 K CB 2.122 34.376 32.500 -0.409 0.000 1.208 723 K HN 0.452 nan 8.250 nan 0.000 0.432 724 S N 0.601 116.232 115.700 -0.115 0.000 2.568 724 S HA 0.692 5.161 4.470 -0.000 0.000 0.302 724 S C -1.114 173.432 174.600 -0.091 0.000 1.082 724 S CA -0.778 57.372 58.200 -0.083 0.000 1.009 724 S CB 1.942 65.105 63.200 -0.061 0.000 1.069 724 S HN 0.283 nan 8.310 nan 0.000 0.500 725 V N 1.081 120.951 119.914 -0.073 0.000 3.077 725 V HA 0.453 4.573 4.120 -0.000 0.000 0.299 725 V C -0.314 175.749 176.094 -0.052 0.000 1.276 725 V CA -0.778 61.475 62.300 -0.078 0.000 0.993 725 V CB 2.385 34.143 31.823 -0.109 0.000 1.076 725 V HN 0.833 nan 8.190 nan 0.000 0.434 726 S N 2.043 117.710 115.700 -0.055 0.000 2.565 726 S HA 0.611 5.081 4.470 -0.000 0.000 0.276 726 S C -0.659 173.914 174.600 -0.046 0.000 1.326 726 S CA -0.289 57.886 58.200 -0.042 0.000 1.045 726 S CB 0.809 63.980 63.200 -0.049 0.000 0.918 726 S HN 0.586 nan 8.310 nan 0.000 0.505 727 V N 8.019 127.923 119.914 -0.017 0.000 2.398 727 V HA 0.401 4.521 4.120 -0.000 0.000 0.282 727 V C -2.189 173.899 176.094 -0.009 0.000 1.014 727 V CA -1.695 60.598 62.300 -0.012 0.000 0.838 727 V CB 1.335 33.191 31.823 0.055 0.000 1.018 727 V HN 0.744 nan 8.190 nan 0.000 0.432 728 P HA 0.283 nan 4.420 nan 0.000 0.272 728 P C -2.797 174.502 177.300 -0.001 0.000 1.240 728 P CA -1.881 61.195 63.100 -0.041 0.000 0.791 728 P CB -0.012 31.660 31.700 -0.045 0.000 0.978 729 P HA 0.066 nan 4.420 nan 0.000 0.268 729 P C -0.158 177.179 177.300 0.062 0.000 1.204 729 P CA 0.522 63.653 63.100 0.051 0.000 0.768 729 P CB -0.053 31.667 31.700 0.033 0.000 0.842 730 K N -0.303 120.163 120.400 0.110 0.000 3.129 730 K HA -0.103 4.217 4.320 -0.000 0.000 0.273 730 K C -0.925 175.749 176.600 0.124 0.000 1.123 730 K CA 0.745 57.114 56.287 0.137 0.000 0.800 730 K CB -2.016 30.543 32.500 0.098 0.000 1.238 730 K HN 0.225 nan 8.250 nan 0.000 0.492 731 V N -0.101 119.859 119.914 0.077 0.000 2.524 731 V HA 0.539 4.659 4.120 -0.000 0.000 0.297 731 V C 0.856 176.873 176.094 -0.129 0.000 1.035 731 V CA -0.727 61.587 62.300 0.023 0.000 0.867 731 V CB 1.983 33.805 31.823 -0.002 0.000 1.004 731 V HN 0.317 nan 8.190 nan 0.000 0.426 732 G N 3.087 111.762 108.800 -0.209 0.000 2.343 732 G HA2 0.448 4.407 3.960 -0.000 0.000 0.254 732 G HA3 0.448 4.407 3.960 -0.000 0.000 0.254 732 G C -0.262 174.406 174.900 -0.387 0.000 1.277 732 G CA 0.147 44.844 45.100 -0.671 0.000 0.909 732 G HN 1.089 nan 8.290 nan 0.000 0.502 733 V N 2.734 122.352 119.914 -0.493 0.000 2.540 733 V HA 0.818 4.938 4.120 -0.000 0.000 0.302 733 V C -2.399 173.402 176.094 -0.489 0.000 1.035 733 V CA -2.494 59.525 62.300 -0.469 0.000 0.873 733 V CB 2.622 34.265 31.823 -0.299 0.000 0.992 733 V HN 0.613 nan 8.190 nan 0.000 0.428 734 P HA 0.589 nan 4.420 nan 0.000 0.276 734 P C -1.011 176.144 177.300 -0.243 0.000 1.244 734 P CA -0.339 62.512 63.100 -0.415 0.000 0.801 734 P CB 1.995 33.369 31.700 -0.544 0.000 1.006 735 I N 0.410 120.918 120.570 -0.103 0.000 2.775 735 I HA 0.458 4.628 4.170 -0.000 0.000 0.295 735 I C -1.390 174.717 176.117 -0.017 0.000 1.287 735 I CA -0.049 61.178 61.300 -0.121 0.000 1.029 735 I CB 2.037 39.962 38.000 -0.124 0.000 1.282 735 I HN 0.617 nan 8.210 nan 0.000 0.426 736 S N 4.589 120.148 115.700 -0.235 0.000 2.570 736 S HA 0.801 5.271 4.470 -0.000 0.000 0.270 736 S C -1.407 172.951 174.600 -0.403 0.000 1.149 736 S CA -0.694 57.453 58.200 -0.088 0.000 0.837 736 S CB 1.383 64.595 63.200 0.020 0.000 1.124 736 S HN 0.356 nan 8.310 nan 0.000 0.465 737 F N 0.718 120.802 119.950 0.222 0.000 2.556 737 F HA 0.524 5.051 4.527 -0.000 0.000 0.314 737 F C -0.347 175.595 175.800 0.237 0.000 1.106 737 F CA -0.913 57.229 58.000 0.238 0.000 0.911 737 F CB 1.816 40.996 39.000 0.300 0.000 1.190 737 F HN 0.526 nan 8.300 nan 0.000 0.448 738 L N 5.973 127.440 121.223 0.408 0.000 2.255 738 L HA 0.631 4.971 4.340 -0.000 0.000 0.289 738 L C -0.716 176.328 176.870 0.291 0.000 1.046 738 L CA -0.470 54.539 54.840 0.281 0.000 0.816 738 L CB 0.459 42.645 42.059 0.213 0.000 1.197 738 L HN 0.718 nan 8.230 nan 0.000 0.427 739 I N 1.934 122.629 120.570 0.209 0.000 3.108 739 I HA 0.595 4.765 4.170 -0.000 0.000 0.312 739 I C -1.189 174.960 176.117 0.054 0.000 1.095 739 I CA -0.936 60.441 61.300 0.127 0.000 1.000 739 I CB 2.273 40.332 38.000 0.099 0.000 1.229 739 I HN 0.367 nan 8.210 nan 0.000 0.454 740 K N 1.936 122.332 120.400 -0.005 0.000 2.375 740 K HA 0.800 5.120 4.320 -0.000 0.000 0.249 740 K C -1.155 175.413 176.600 -0.053 0.000 0.942 740 K CA -0.999 55.278 56.287 -0.017 0.000 0.806 740 K CB 2.313 34.806 32.500 -0.013 0.000 1.227 740 K HN 0.836 nan 8.250 nan 0.000 0.430 741 A N 2.171 124.967 122.820 -0.041 0.000 2.309 741 A HA 0.298 4.618 4.320 -0.000 0.000 0.298 741 A C 0.614 178.168 177.584 -0.050 0.000 1.165 741 A CA -0.447 51.558 52.037 -0.053 0.000 0.821 741 A CB 0.484 19.458 19.000 -0.045 0.000 1.102 741 A HN 0.750 nan 8.150 nan 0.000 0.500 742 R N 1.197 121.662 120.500 -0.059 0.000 2.128 742 R HA 0.131 4.471 4.340 -0.000 0.000 0.211 742 R C -0.163 176.113 176.300 -0.040 0.000 1.067 742 R CA 0.793 56.863 56.100 -0.049 0.000 1.010 742 R CB 0.012 30.278 30.300 -0.058 0.000 0.922 742 R HN 0.624 nan 8.270 nan 0.000 0.457 743 K N 1.384 121.758 120.400 -0.044 0.000 2.324 743 K HA 0.402 4.722 4.320 -0.000 0.000 0.253 743 K C -0.302 176.273 176.600 -0.043 0.000 0.932 743 K CA -0.612 55.650 56.287 -0.041 0.000 0.799 743 K CB 2.509 34.984 32.500 -0.042 0.000 1.154 743 K HN -0.117 nan 8.250 nan 0.000 0.425 744 L N 1.651 122.850 121.223 -0.039 0.000 2.483 744 L HA 0.219 4.559 4.340 -0.000 0.000 0.276 744 L C 1.067 177.907 176.870 -0.051 0.000 1.213 744 L CA 0.723 55.538 54.840 -0.042 0.000 0.843 744 L CB 0.161 42.197 42.059 -0.038 0.000 1.107 744 L HN 1.030 nan 8.230 nan 0.000 0.487 745 G N 2.257 111.021 108.800 -0.060 0.000 2.337 745 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.197 745 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.197 745 G C -0.960 173.892 174.900 -0.081 0.000 1.238 745 G CA -0.764 44.295 45.100 -0.068 0.000 1.119 745 G HN 0.536 nan 8.290 nan 0.000 0.514 746 E N 0.707 120.860 120.200 -0.078 0.000 2.229 746 E HA 0.376 4.726 4.350 -0.000 0.000 0.283 746 E C 0.262 176.819 176.600 -0.071 0.000 1.030 746 E CA -0.287 56.061 56.400 -0.086 0.000 0.836 746 E CB 1.401 31.056 29.700 -0.074 0.000 1.068 746 E HN 0.540 nan 8.360 nan 0.000 0.401 747 M N 2.641 122.195 119.600 -0.077 0.000 2.113 747 M HA 0.357 4.837 4.480 -0.000 0.000 0.352 747 M C -0.698 175.576 176.300 -0.042 0.000 1.170 747 M CA -0.401 54.864 55.300 -0.058 0.000 1.053 747 M CB 0.847 33.411 32.600 -0.060 0.000 1.601 747 M HN 0.469 nan 8.290 nan 0.000 0.459 748 A N 5.170 127.975 122.820 -0.025 0.000 2.409 748 A HA 0.479 4.799 4.320 -0.000 0.000 0.267 748 A C -0.517 177.081 177.584 0.022 0.000 1.127 748 A CA -0.520 51.515 52.037 -0.004 0.000 0.795 748 A CB 0.063 19.061 19.000 -0.003 0.000 1.061 748 A HN 0.722 nan 8.150 nan 0.000 0.502 749 V N 4.788 124.729 119.914 0.045 0.000 2.288 749 V HA 0.315 4.435 4.120 -0.000 0.000 0.266 749 V C 0.544 176.707 176.094 0.115 0.000 1.048 749 V CA -0.226 62.133 62.300 0.099 0.000 0.842 749 V CB 0.341 32.247 31.823 0.139 0.000 1.064 749 V HN 0.875 nan 8.190 nan 0.000 0.472 750 R N 4.259 124.828 120.500 0.114 0.000 2.288 750 R HA 0.699 5.039 4.340 -0.000 0.000 0.326 750 R C -1.515 174.891 176.300 0.177 0.000 0.959 750 R CA -0.264 55.911 56.100 0.124 0.000 0.834 750 R CB 1.443 31.802 30.300 0.099 0.000 1.157 750 R HN 0.505 nan 8.270 nan 0.000 0.470 751 V N 4.640 124.613 119.914 0.097 0.000 2.656 751 V HA 0.456 4.576 4.120 -0.000 0.000 0.307 751 V C -0.540 175.593 176.094 0.066 0.000 1.051 751 V CA -0.916 61.379 62.300 -0.010 0.000 0.893 751 V CB 2.093 33.763 31.823 -0.256 0.000 0.999 751 V HN 0.710 nan 8.190 nan 0.000 0.426 752 K N 2.701 123.159 120.400 0.096 0.000 2.324 752 K HA 0.879 5.199 4.320 -0.000 0.000 0.253 752 K C -0.759 175.884 176.600 0.072 0.000 0.932 752 K CA -0.546 55.811 56.287 0.116 0.000 0.799 752 K CB 2.668 35.289 32.500 0.203 0.000 1.154 752 K HN 0.830 nan 8.250 nan 0.000 0.425 753 A N 1.313 124.216 122.820 0.139 0.000 2.401 753 A HA 0.773 5.093 4.320 -0.000 0.000 0.310 753 A C -0.823 176.945 177.584 0.306 0.000 1.075 753 A CA -0.615 51.562 52.037 0.234 0.000 0.746 753 A CB 1.479 20.672 19.000 0.321 0.000 1.277 753 A HN 0.725 nan 8.150 nan 0.000 0.425 754 S N 0.332 116.084 115.700 0.087 0.000 2.596 754 S HA 0.691 5.161 4.470 -0.000 0.000 0.270 754 S C 0.195 174.524 174.600 -0.452 0.000 1.155 754 S CA -0.012 58.070 58.200 -0.196 0.000 0.827 754 S CB 0.772 63.910 63.200 -0.103 0.000 1.130 754 S HN 1.357 nan 8.310 nan 0.000 0.467 755 I N -2.716 117.509 120.570 -0.575 0.000 3.873 755 I HA 0.462 4.632 4.170 -0.000 0.000 0.284 755 I C 0.439 176.364 176.117 -0.320 0.000 1.186 755 I CA -0.302 60.707 61.300 -0.485 0.000 1.362 755 I CB 0.146 37.764 38.000 -0.636 0.000 1.432 755 I HN 0.428 nan 8.210 nan 0.000 0.454 756 M N 3.172 122.578 119.600 -0.323 0.000 2.986 756 M HA 0.439 4.919 4.480 -0.000 0.000 0.241 756 M C -0.457 175.751 176.300 -0.154 0.000 1.191 756 M CA -0.364 54.798 55.300 -0.230 0.000 1.143 756 M CB 1.150 33.579 32.600 -0.285 0.000 1.242 756 M HN 0.216 nan 8.290 nan 0.000 0.543 757 L N 1.150 122.272 121.223 -0.169 0.000 3.839 757 L HA -0.320 4.020 4.340 -0.000 0.000 0.416 757 L C 0.949 177.641 176.870 -0.297 0.000 1.195 757 L CA 0.797 55.514 54.840 -0.205 0.000 0.946 757 L CB -2.224 39.717 42.059 -0.197 0.000 1.891 757 L HN 1.056 nan 8.230 nan 0.000 0.963 758 G N -1.685 106.970 108.800 -0.242 0.000 2.157 758 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.248 758 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.248 758 G C 0.364 175.150 174.900 -0.190 0.000 0.979 758 G CA 0.491 45.472 45.100 -0.198 0.000 0.650 758 G HN 0.688 nan 8.290 nan 0.000 0.529 759 H N -0.128 118.870 119.070 -0.119 0.000 2.561 759 H HA 0.346 4.902 4.556 -0.000 0.000 0.278 759 H C 0.744 176.015 175.328 -0.096 0.000 1.014 759 H CA 1.427 57.412 56.048 -0.105 0.000 1.211 759 H CB 0.423 30.107 29.762 -0.130 0.000 1.365 759 H HN 0.374 nan 8.280 nan 0.000 0.594 760 E N 0.306 120.490 120.200 -0.026 0.000 2.349 760 E HA 0.175 4.524 4.350 -0.000 0.000 0.290 760 E C -1.060 175.536 176.600 -0.007 0.000 0.901 760 E CA -0.546 55.846 56.400 -0.013 0.000 0.800 760 E CB 1.141 30.791 29.700 -0.084 0.000 1.303 760 E HN 0.199 nan 8.360 nan 0.000 0.397 761 T N 0.347 114.991 114.554 0.150 0.000 2.896 761 T HA 0.830 5.180 4.350 -0.000 0.000 0.297 761 T C -0.996 173.902 174.700 0.329 0.000 1.108 761 T CA -0.857 61.378 62.100 0.226 0.000 1.004 761 T CB 2.213 71.148 68.868 0.111 0.000 1.159 761 T HN 0.180 nan 8.240 nan 0.000 0.499 762 D N -0.642 119.955 120.400 0.328 0.000 2.661 762 D HA 0.728 5.368 4.640 -0.000 0.000 0.228 762 D C -1.368 175.010 176.300 0.131 0.000 1.183 762 D CA -0.318 53.791 54.000 0.183 0.000 0.844 762 D CB 2.262 43.119 40.800 0.095 0.000 1.555 762 D HN 1.042 nan 8.370 nan 0.000 0.453 763 A N 1.019 123.893 122.820 0.090 0.000 2.539 763 A HA 0.797 5.117 4.320 -0.000 0.000 0.296 763 A C -1.732 175.892 177.584 0.068 0.000 1.073 763 A CA -0.652 51.429 52.037 0.073 0.000 0.700 763 A CB 1.076 20.110 19.000 0.057 0.000 1.296 763 A HN 0.580 nan 8.150 nan 0.000 0.405 764 L N -1.488 119.777 121.223 0.069 0.000 2.434 764 L HA 0.973 5.313 4.340 -0.000 0.000 0.260 764 L C -0.702 176.215 176.870 0.079 0.000 0.983 764 L CA -0.743 54.147 54.840 0.083 0.000 0.820 764 L CB 2.007 44.140 42.059 0.123 0.000 1.361 764 L HN 0.585 nan 8.230 nan 0.000 0.410 765 E N 1.663 121.905 120.200 0.069 0.000 2.235 765 E HA 0.617 4.967 4.350 -0.000 0.000 0.252 765 E C -1.163 175.472 176.600 0.060 0.000 0.886 765 E CA -0.364 56.068 56.400 0.053 0.000 0.767 765 E CB 0.888 30.603 29.700 0.025 0.000 1.205 765 E HN 0.568 nan 8.360 nan 0.000 0.421 766 K N 1.620 122.063 120.400 0.071 0.000 2.208 766 K HA 0.687 5.007 4.320 -0.000 0.000 0.241 766 K C -0.997 175.616 176.600 0.023 0.000 1.087 766 K CA -1.088 55.235 56.287 0.060 0.000 0.883 766 K CB 1.606 34.162 32.500 0.095 0.000 1.360 766 K HN 0.240 nan 8.250 nan 0.000 0.496 767 V N 1.512 121.419 119.914 -0.010 0.000 2.733 767 V HA 0.493 4.613 4.120 -0.000 0.000 0.306 767 V C -0.797 175.225 176.094 -0.120 0.000 1.084 767 V CA -0.767 61.495 62.300 -0.063 0.000 0.905 767 V CB 2.092 33.867 31.823 -0.079 0.000 1.010 767 V HN 0.525 nan 8.190 nan 0.000 0.424 768 I N 3.863 124.351 120.570 -0.137 0.000 2.509 768 I HA 0.544 4.714 4.170 -0.000 0.000 0.293 768 I C -0.036 175.950 176.117 -0.219 0.000 1.020 768 I CA -0.734 60.448 61.300 -0.198 0.000 1.088 768 I CB 2.249 40.163 38.000 -0.143 0.000 1.267 768 I HN 0.457 nan 8.210 nan 0.000 0.430 769 R N 4.341 124.647 120.500 -0.323 0.000 2.234 769 R HA 0.451 4.790 4.340 -0.000 0.000 0.324 769 R C -0.961 175.249 176.300 -0.149 0.000 1.054 769 R CA -0.410 55.534 56.100 -0.261 0.000 0.912 769 R CB 1.113 31.189 30.300 -0.372 0.000 1.030 769 R HN 0.336 nan 8.270 nan 0.000 0.455 770 V N 5.775 125.626 119.914 -0.105 0.000 2.432 770 V HA 0.339 4.459 4.120 -0.000 0.000 0.275 770 V C 0.414 176.480 176.094 -0.046 0.000 1.043 770 V CA -0.212 62.050 62.300 -0.064 0.000 0.925 770 V CB 1.217 33.006 31.823 -0.057 0.000 0.985 770 V HN 0.711 nan 8.190 nan 0.000 0.466 771 M N 6.704 126.292 119.600 -0.020 0.000 2.716 771 M HA 0.580 5.060 4.480 -0.000 0.000 0.307 771 M C -2.727 173.581 176.300 0.013 0.000 1.223 771 M CA -1.857 53.443 55.300 0.000 0.000 0.871 771 M CB 2.609 35.225 32.600 0.027 0.000 1.739 771 M HN 0.319 nan 8.290 nan 0.000 0.475 772 P HA 0.210 nan 4.420 nan 0.000 0.278 772 P C -0.056 177.272 177.300 0.047 0.000 1.266 772 P CA -0.226 62.888 63.100 0.023 0.000 0.807 772 P CB 1.018 32.727 31.700 0.015 0.000 1.094 773 E N -0.120 120.101 120.200 0.036 0.000 2.021 773 E HA -0.127 4.223 4.350 -0.000 0.000 0.200 773 E C 0.798 177.435 176.600 0.061 0.000 1.015 773 E CA 1.613 58.041 56.400 0.047 0.000 0.824 773 E CB -0.439 29.273 29.700 0.019 0.000 0.762 773 E HN 0.444 nan 8.360 nan 0.000 0.454 774 S N 0.409 116.109 115.700 0.000 0.000 2.508 774 S HA 0.209 4.679 4.470 -0.000 0.000 0.284 774 S C -0.194 174.382 174.600 -0.040 0.000 1.192 774 S CA -0.750 57.400 58.200 -0.083 0.000 1.070 774 S CB 0.995 64.128 63.200 -0.111 0.000 1.004 774 S HN 0.167 nan 8.310 nan 0.000 0.493 775 L N 7.284 128.461 121.223 -0.076 0.000 2.742 775 L HA 0.208 4.548 4.340 -0.000 0.000 0.275 775 L C 0.072 176.929 176.870 -0.022 0.000 1.141 775 L CA 0.107 54.956 54.840 0.016 0.000 0.987 775 L CB -0.394 41.702 42.059 0.062 0.000 1.319 775 L HN 0.563 nan 8.230 nan 0.000 0.478 776 V N 3.455 123.373 119.914 0.006 0.000 2.617 776 V HA 0.123 4.243 4.120 -0.000 0.000 0.304 776 V C 0.274 176.379 176.094 0.018 0.000 1.040 776 V CA -0.231 62.076 62.300 0.012 0.000 1.149 776 V CB 0.130 31.956 31.823 0.004 0.000 0.914 776 V HN 0.848 nan 8.190 nan 0.000 0.487 777 Q N 6.070 125.897 119.800 0.045 0.000 2.506 777 Q HA 0.397 4.737 4.340 -0.000 0.000 0.242 777 Q C -2.437 173.611 176.000 0.080 0.000 1.060 777 Q CA -1.705 54.131 55.803 0.054 0.000 0.826 777 Q CB 1.565 30.318 28.738 0.025 0.000 1.169 777 Q HN 0.733 nan 8.270 nan 0.000 0.521 778 P HA 0.076 nan 4.420 nan 0.000 0.271 778 P C -0.667 176.591 177.300 -0.071 0.000 1.216 778 P CA -0.107 62.921 63.100 -0.120 0.000 0.771 778 P CB 0.966 32.535 31.700 -0.219 0.000 0.864 779 R N 3.024 123.485 120.500 -0.066 0.000 2.445 779 R HA 0.607 4.946 4.340 -0.000 0.000 0.308 779 R C -0.501 175.816 176.300 0.029 0.000 0.961 779 R CA -0.741 55.379 56.100 0.033 0.000 0.862 779 R CB 1.023 31.424 30.300 0.169 0.000 1.144 779 R HN 0.498 nan 8.270 nan 0.000 0.447 780 M N 3.929 123.509 119.600 -0.033 0.000 2.181 780 M HA 0.317 4.797 4.480 -0.000 0.000 0.323 780 M C -1.505 174.781 176.300 -0.023 0.000 1.004 780 M CA -0.661 54.602 55.300 -0.062 0.000 0.941 780 M CB 1.534 34.026 32.600 -0.180 0.000 1.579 780 M HN 0.540 nan 8.290 nan 0.000 0.427 781 D N 3.220 123.647 120.400 0.046 0.000 2.232 781 D HA 0.360 5.000 4.640 -0.000 0.000 0.242 781 D C -0.413 175.864 176.300 -0.038 0.000 1.093 781 D CA 0.314 54.334 54.000 0.033 0.000 0.845 781 D CB 1.807 42.695 40.800 0.146 0.000 1.124 781 D HN 0.592 nan 8.370 nan 0.000 0.467 782 T N 1.481 115.998 114.554 -0.061 0.000 2.893 782 T HA 0.603 4.953 4.350 -0.000 0.000 0.293 782 T C -0.677 173.998 174.700 -0.041 0.000 1.027 782 T CA -0.900 61.153 62.100 -0.079 0.000 0.988 782 T CB 1.270 70.065 68.868 -0.122 0.000 1.043 782 T HN 0.206 nan 8.240 nan 0.000 0.461 783 R N 2.719 123.178 120.500 -0.069 0.000 2.621 783 R HA 0.537 4.877 4.340 -0.000 0.000 0.292 783 R C -0.980 175.242 176.300 -0.129 0.000 0.969 783 R CA -0.730 55.324 56.100 -0.075 0.000 0.887 783 R CB 1.845 32.083 30.300 -0.103 0.000 1.180 783 R HN 0.748 nan 8.270 nan 0.000 0.450 784 F N 1.676 121.503 119.950 -0.205 0.000 2.483 784 F HA 0.772 5.299 4.527 -0.000 0.000 0.329 784 F C -0.973 174.659 175.800 -0.280 0.000 1.064 784 F CA -1.270 56.490 58.000 -0.400 0.000 0.986 784 F CB 0.979 39.713 39.000 -0.444 0.000 1.218 784 F HN 0.402 nan 8.300 nan 0.000 0.484 785 F N 0.914 120.556 119.950 -0.512 0.000 2.576 785 F HA 0.686 5.213 4.527 -0.000 0.000 0.313 785 F C -1.305 174.273 175.800 -0.371 0.000 1.078 785 F CA -1.954 55.706 58.000 -0.566 0.000 0.921 785 F CB 1.249 39.752 39.000 -0.827 0.000 1.232 785 F HN 0.817 nan 8.300 nan 0.000 0.459 786 C N 5.002 124.306 119.300 0.006 0.000 2.789 786 C HA 0.585 5.045 4.460 -0.000 0.000 0.324 786 C C -1.255 173.988 174.990 0.422 0.000 1.042 786 C CA -0.754 58.405 59.018 0.235 0.000 1.396 786 C CB -0.880 27.169 27.740 0.516 0.000 1.870 786 C HN 0.842 nan 8.230 nan 0.000 0.470 787 F N 4.906 125.004 119.950 0.246 0.000 2.385 787 F HA 0.269 4.796 4.527 -0.000 0.000 0.360 787 F C 1.142 177.027 175.800 0.141 0.000 1.122 787 F CA -0.610 57.497 58.000 0.177 0.000 1.090 787 F CB 1.183 40.274 39.000 0.151 0.000 1.150 787 F HN 0.593 nan 8.300 nan 0.000 0.472 788 D N 2.055 122.636 120.400 0.303 0.000 2.146 788 D HA -0.042 4.598 4.640 -0.000 0.000 0.209 788 D C 0.094 176.479 176.300 0.143 0.000 0.973 788 D CA 1.325 55.440 54.000 0.192 0.000 0.860 788 D CB 0.161 41.054 40.800 0.156 0.000 1.015 788 D HN 0.516 nan 8.370 nan 0.000 0.465 789 D N -0.734 119.732 120.400 0.110 0.000 2.340 789 D HA 0.140 4.780 4.640 -0.000 0.000 0.251 789 D C -0.189 176.149 176.300 0.064 0.000 1.080 789 D CA -0.278 53.775 54.000 0.089 0.000 0.971 789 D CB 0.596 41.436 40.800 0.067 0.000 1.137 789 D HN -0.014 nan 8.370 nan 0.000 0.475 790 H N 0.815 119.912 119.070 0.045 0.000 3.145 790 H HA 0.083 4.639 4.556 -0.000 0.000 0.288 790 H C -0.221 175.058 175.328 -0.082 0.000 0.969 790 H CA 0.884 56.951 56.048 0.032 0.000 1.444 790 H CB 0.220 30.005 29.762 0.038 0.000 1.500 790 H HN -0.014 nan 8.280 nan 0.000 0.552 791 K N 3.376 123.704 120.400 -0.121 0.000 2.375 791 K HA 0.339 4.659 4.320 -0.000 0.000 0.249 791 K C -0.716 175.720 176.600 -0.273 0.000 0.942 791 K CA -1.176 54.850 56.287 -0.436 0.000 0.806 791 K CB 1.805 33.537 32.500 -1.280 0.000 1.227 791 K HN 0.544 nan 8.250 nan 0.000 0.430 792 N N 2.353 120.926 118.700 -0.212 0.000 2.372 792 N HA 0.259 4.999 4.740 -0.000 0.000 0.291 792 N C -1.221 174.218 175.510 -0.119 0.000 1.024 792 N CA -0.380 52.623 53.050 -0.078 0.000 0.873 792 N CB 1.941 40.406 38.487 -0.036 0.000 1.206 792 N HN 0.472 nan 8.380 nan 0.000 0.486 793 Q N 0.236 120.025 119.800 -0.018 0.000 2.340 793 Q HA 0.366 4.706 4.340 -0.000 0.000 0.276 793 Q C -1.453 174.463 176.000 -0.140 0.000 1.048 793 Q CA -0.554 55.179 55.803 -0.116 0.000 0.832 793 Q CB 2.490 31.177 28.738 -0.085 0.000 1.373 793 Q HN 0.486 nan 8.270 nan 0.000 0.409 794 T N 2.778 117.170 114.554 -0.271 0.000 2.809 794 T HA 0.581 4.931 4.350 -0.000 0.000 0.296 794 T C -1.365 173.181 174.700 -0.256 0.000 1.015 794 T CA -0.312 61.696 62.100 -0.155 0.000 0.954 794 T CB -0.114 68.705 68.868 -0.081 0.000 0.950 794 T HN 0.336 nan 8.240 nan 0.000 0.450 795 F N 7.866 127.795 119.950 -0.035 0.000 2.371 795 F HA 0.426 4.953 4.527 -0.000 0.000 0.363 795 F C -1.840 173.949 175.800 -0.017 0.000 1.122 795 F CA -2.250 55.737 58.000 -0.021 0.000 1.129 795 F CB 1.348 40.336 39.000 -0.020 0.000 1.173 795 F HN 0.372 nan 8.300 nan 0.000 0.489 796 P HA 0.503 nan 4.420 nan 0.000 0.290 796 P C -0.732 176.627 177.300 0.099 0.000 1.275 796 P CA -0.421 62.728 63.100 0.081 0.000 0.841 796 P CB 2.116 33.840 31.700 0.040 0.000 1.042 797 I N 1.835 122.453 120.570 0.081 0.000 2.534 797 I HA 0.312 4.482 4.170 -0.000 0.000 0.288 797 I C 0.099 176.263 176.117 0.079 0.000 1.077 797 I CA -0.570 60.782 61.300 0.087 0.000 1.051 797 I CB 1.977 40.032 38.000 0.091 0.000 1.234 797 I HN 0.298 nan 8.210 nan 0.000 0.425 798 N N 6.036 124.786 118.700 0.083 0.000 2.456 798 N HA 0.411 5.151 4.740 -0.000 0.000 0.288 798 N C 0.162 175.740 175.510 0.114 0.000 1.059 798 N CA -0.377 52.720 53.050 0.078 0.000 0.946 798 N CB 1.447 39.967 38.487 0.055 0.000 1.150 798 N HN 0.598 nan 8.380 nan 0.000 0.479 799 L N 1.807 123.104 121.223 0.124 0.000 2.425 799 L HA 0.163 4.503 4.340 -0.000 0.000 0.215 799 L C 1.077 178.025 176.870 0.131 0.000 1.065 799 L CA 0.070 55.034 54.840 0.206 0.000 0.842 799 L CB -0.033 42.154 42.059 0.212 0.000 1.033 799 L HN 0.462 nan 8.230 nan 0.000 0.474 800 D N 1.596 122.040 120.400 0.074 0.000 2.403 800 D HA -0.038 4.602 4.640 -0.000 0.000 0.227 800 D C 1.133 177.431 176.300 -0.003 0.000 0.995 800 D CA 0.608 54.633 54.000 0.042 0.000 0.928 800 D CB 0.017 40.836 40.800 0.031 0.000 0.887 800 D HN 0.288 nan 8.370 nan 0.000 0.529 801 I N -0.353 120.197 120.570 -0.033 0.000 2.397 801 I HA 0.116 4.286 4.170 -0.000 0.000 0.291 801 I C 0.062 176.086 176.117 -0.155 0.000 1.125 801 I CA 0.363 61.607 61.300 -0.094 0.000 1.961 801 I CB -1.269 36.672 38.000 -0.099 0.000 1.508 801 I HN 0.029 nan 8.210 nan 0.000 0.886 802 N N 2.900 121.527 118.700 -0.122 0.000 2.330 802 N HA 0.189 4.929 4.740 -0.000 0.000 0.249 802 N C -0.470 174.974 175.510 -0.109 0.000 1.413 802 N CA -0.585 52.409 53.050 -0.093 0.000 0.817 802 N CB 0.863 39.483 38.487 0.222 0.000 1.362 802 N HN 0.376 nan 8.380 nan 0.000 0.499 803 K N 0.777 121.083 120.400 -0.158 0.000 2.546 803 K HA 0.397 4.716 4.320 -0.000 0.000 0.264 803 K C -1.169 175.354 176.600 -0.128 0.000 0.937 803 K CA -0.397 55.823 56.287 -0.112 0.000 0.833 803 K CB 2.894 35.370 32.500 -0.040 0.000 1.378 803 K HN 0.002 nan 8.250 nan 0.000 0.432 804 K N 0.036 120.370 120.400 -0.109 0.000 2.479 804 K HA 0.465 4.785 4.320 -0.000 0.000 0.284 804 K C 1.110 177.675 176.600 -0.057 0.000 0.968 804 K CA -0.032 56.200 56.287 -0.092 0.000 1.226 804 K CB 0.017 32.450 32.500 -0.111 0.000 3.370 804 K HN 0.521 nan 8.250 nan 0.000 1.103 805 A N 0.860 123.651 122.820 -0.049 0.000 1.832 805 A HA -0.039 4.281 4.320 -0.000 0.000 0.214 805 A C -0.052 177.517 177.584 -0.026 0.000 1.200 805 A CA 1.677 53.695 52.037 -0.032 0.000 0.610 805 A CB -0.355 18.630 19.000 -0.026 0.000 0.842 805 A HN 0.528 nan 8.150 nan 0.000 0.444 806 D N -2.093 118.291 120.400 -0.028 0.000 2.362 806 D HA 0.657 5.297 4.640 -0.000 0.000 0.247 806 D C -0.257 176.031 176.300 -0.020 0.000 1.050 806 D CA -0.074 53.914 54.000 -0.019 0.000 0.839 806 D CB 1.927 42.719 40.800 -0.014 0.000 1.283 806 D HN 0.008 nan 8.370 nan 0.000 0.477 807 S N 0.315 116.013 115.700 -0.003 0.000 2.893 807 S HA 0.367 4.837 4.470 -0.000 0.000 0.258 807 S C 1.307 175.926 174.600 0.031 0.000 1.034 807 S CA -0.021 58.190 58.200 0.019 0.000 1.167 807 S CB 0.965 64.184 63.200 0.032 0.000 1.137 807 S HN 0.752 nan 8.310 nan 0.000 0.650 808 G N 2.878 111.688 108.800 0.016 0.000 5.218 808 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.342 808 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.342 808 G C 0.148 175.059 174.900 0.018 0.000 1.391 808 G CA 0.923 46.032 45.100 0.014 0.000 1.096 808 G HN 1.681 nan 8.290 nan 0.000 0.831 809 S N -1.203 114.513 115.700 0.026 0.000 2.333 809 S HA 0.514 4.984 4.470 -0.000 0.000 0.250 809 S C -0.552 174.070 174.600 0.035 0.000 0.959 809 S CA 0.712 58.930 58.200 0.030 0.000 1.037 809 S CB 0.570 63.778 63.200 0.014 0.000 1.215 809 S HN 2.111 nan 8.310 nan 0.000 0.410 810 T N 0.560 115.158 114.554 0.073 0.000 2.902 810 T HA 0.352 4.702 4.350 -0.000 0.000 0.301 810 T C -0.108 174.594 174.700 0.003 0.000 1.012 810 T CA -0.187 61.957 62.100 0.074 0.000 1.151 810 T CB 0.456 69.453 68.868 0.213 0.000 0.946 810 T HN 0.768 nan 8.240 nan 0.000 0.542 811 K N 3.319 123.685 120.400 -0.057 0.000 2.156 811 K HA 0.627 4.947 4.320 -0.000 0.000 0.271 811 K C -0.233 176.272 176.600 -0.158 0.000 0.995 811 K CA -1.079 55.154 56.287 -0.090 0.000 0.890 811 K CB 0.684 33.133 32.500 -0.085 0.000 1.073 811 K HN 0.820 nan 8.250 nan 0.000 0.454 812 I N 0.763 121.226 120.570 -0.178 0.000 2.647 812 I HA 0.515 4.685 4.170 -0.000 0.000 0.295 812 I C -1.413 174.550 176.117 -0.257 0.000 1.078 812 I CA -0.598 60.529 61.300 -0.288 0.000 1.048 812 I CB 2.101 39.887 38.000 -0.357 0.000 1.239 812 I HN 0.755 nan 8.210 nan 0.000 0.421 813 E N 5.868 125.896 120.200 -0.288 0.000 2.293 813 E HA 0.408 4.758 4.350 -0.000 0.000 0.270 813 E C -2.049 174.445 176.600 -0.178 0.000 0.879 813 E CA -0.747 55.535 56.400 -0.197 0.000 0.756 813 E CB 2.518 32.115 29.700 -0.171 0.000 1.208 813 E HN 0.657 nan 8.360 nan 0.000 0.428 814 F N 3.341 123.159 119.950 -0.219 0.000 2.385 814 F HA 0.534 5.061 4.527 -0.000 0.000 0.336 814 F C -0.638 175.058 175.800 -0.174 0.000 1.100 814 F CA -0.445 57.439 58.000 -0.193 0.000 1.116 814 F CB 1.013 39.930 39.000 -0.138 0.000 1.166 814 F HN 0.446 nan 8.300 nan 0.000 0.511 815 R N 6.196 125.910 120.500 -1.309 0.000 2.621 815 R HA 0.541 4.881 4.340 -0.000 0.000 0.284 815 R C -1.982 173.523 176.300 -1.325 0.000 0.998 815 R CA -1.262 54.196 56.100 -1.070 0.000 0.895 815 R CB 2.183 32.157 30.300 -0.543 0.000 1.195 815 R HN 0.681 nan 8.270 nan 0.000 0.450 816 L N 2.581 123.245 121.223 -0.931 0.000 2.287 816 L HA 0.495 4.835 4.340 -0.000 0.000 0.287 816 L C -1.151 175.604 176.870 -0.190 0.000 1.022 816 L CA -0.237 54.304 54.840 -0.499 0.000 0.814 816 L CB 1.292 43.106 42.059 -0.409 0.000 1.217 816 L HN 0.504 nan 8.230 nan 0.000 0.420 817 N N 6.313 124.928 118.700 -0.142 0.000 2.346 817 N HA 0.474 5.213 4.740 -0.000 0.000 0.289 817 N C -2.318 173.196 175.510 0.007 0.000 1.027 817 N CA -1.175 51.847 53.050 -0.046 0.000 0.864 817 N CB 2.613 41.038 38.487 -0.103 0.000 1.370 817 N HN 0.428 nan 8.380 nan 0.000 0.481 818 P HA -0.017 nan 4.420 nan 0.000 0.236 818 P C -0.283 177.154 177.300 0.227 0.000 1.177 818 P CA 0.776 63.984 63.100 0.180 0.000 0.773 818 P CB 1.019 32.826 31.700 0.179 0.000 0.878 819 N N -0.580 118.203 118.700 0.138 0.000 2.331 819 N HA 0.169 4.909 4.740 -0.000 0.000 0.280 819 N C 0.760 176.277 175.510 0.012 0.000 1.155 819 N CA -0.481 52.627 53.050 0.096 0.000 0.822 819 N CB 1.551 40.052 38.487 0.022 0.000 1.619 819 N HN -0.284 nan 8.380 nan 0.000 0.476 820 L N 1.760 122.950 121.223 -0.055 0.000 2.191 820 L HA -0.027 4.313 4.340 -0.000 0.000 0.212 820 L C 1.784 178.561 176.870 -0.156 0.000 1.103 820 L CA 1.145 55.915 54.840 -0.116 0.000 0.769 820 L CB -0.011 41.944 42.059 -0.174 0.000 0.908 820 L HN 0.516 nan 8.230 nan 0.000 0.438 821 L N -1.351 119.755 121.223 -0.195 0.000 2.585 821 L HA -0.002 4.338 4.340 -0.000 0.000 0.226 821 L C 2.552 179.370 176.870 -0.086 0.000 1.113 821 L CA 0.464 55.206 54.840 -0.163 0.000 0.876 821 L CB -0.493 41.424 42.059 -0.236 0.000 1.072 821 L HN 0.314 nan 8.230 nan 0.000 0.468 822 T N -0.971 113.543 114.554 -0.066 0.000 2.643 822 T HA -0.237 4.113 4.350 -0.000 0.000 0.264 822 T C 2.055 176.726 174.700 -0.048 0.000 1.045 822 T CA 2.417 64.493 62.100 -0.039 0.000 1.155 822 T CB -0.451 68.404 68.868 -0.022 0.000 0.863 822 T HN 0.446 nan 8.240 nan 0.000 0.420 823 T N 0.037 114.550 114.554 -0.069 0.000 2.867 823 T HA -0.021 4.329 4.350 -0.000 0.000 0.268 823 T C 2.037 176.710 174.700 -0.046 0.000 1.057 823 T CA 1.317 63.374 62.100 -0.072 0.000 1.136 823 T CB -1.021 67.783 68.868 -0.106 0.000 0.874 823 T HN 0.280 nan 8.240 nan 0.000 0.466 824 V N 1.722 121.607 119.914 -0.047 0.000 2.261 824 V HA -0.085 4.035 4.120 -0.000 0.000 0.246 824 V C 2.722 178.815 176.094 -0.000 0.000 1.047 824 V CA 1.749 64.038 62.300 -0.019 0.000 1.015 824 V CB -0.689 31.116 31.823 -0.031 0.000 0.642 824 V HN 0.479 nan 8.190 nan 0.000 0.446 825 I N 0.001 120.564 120.570 -0.011 0.000 2.208 825 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 825 I C 2.587 178.716 176.117 0.020 0.000 1.097 825 I CA 2.027 63.329 61.300 0.003 0.000 1.363 825 I CB -0.431 37.573 38.000 0.006 0.000 1.051 825 I HN 0.300 nan 8.210 nan 0.000 0.413 826 K N 0.930 121.337 120.400 0.011 0.000 2.152 826 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 826 K C 1.142 177.759 176.600 0.030 0.000 1.048 826 K CA 1.452 57.749 56.287 0.016 0.000 0.933 826 K CB 0.064 32.556 32.500 -0.012 0.000 0.721 826 K HN 0.306 nan 8.250 nan 0.000 0.447 827 N N 0.786 119.505 118.700 0.033 0.000 2.273 827 N HA 0.047 4.787 4.740 -0.000 0.000 0.231 827 N C 0.801 176.366 175.510 0.092 0.000 1.134 827 N CA 0.001 53.089 53.050 0.064 0.000 0.856 827 N CB 0.525 39.046 38.487 0.056 0.000 1.068 827 N HN 0.200 nan 8.380 nan 0.000 0.510 828 L N 0.888 122.153 121.223 0.070 0.000 2.187 828 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 828 L C 1.630 178.554 176.870 0.090 0.000 1.100 828 L CA 1.330 56.211 54.840 0.069 0.000 0.765 828 L CB 0.003 42.084 42.059 0.036 0.000 0.904 828 L HN 0.194 nan 8.230 nan 0.000 0.437 829 D N -3.006 117.455 120.400 0.101 0.000 2.354 829 D HA -0.105 4.535 4.640 -0.000 0.000 0.209 829 D C 0.651 177.025 176.300 0.123 0.000 1.015 829 D CA 0.409 54.466 54.000 0.095 0.000 0.867 829 D CB 0.090 40.935 40.800 0.076 0.000 0.933 829 D HN 0.209 nan 8.370 nan 0.000 0.520 830 H N 0.363 119.489 119.070 0.094 0.000 2.562 830 H HA 0.325 4.881 4.556 -0.000 0.000 0.230 830 H C 0.769 176.166 175.328 0.115 0.000 1.415 830 H CA -0.453 55.660 56.048 0.109 0.000 1.454 830 H CB -0.023 29.803 29.762 0.108 0.000 1.716 830 H HN -0.051 nan 8.280 nan 0.000 0.538 831 L N 0.775 122.164 121.223 0.276 0.000 2.131 831 L HA 0.106 4.446 4.340 -0.000 0.000 0.206 831 L C 0.574 177.552 176.870 0.181 0.000 1.087 831 L CA 0.965 55.928 54.840 0.205 0.000 0.767 831 L CB 0.222 42.378 42.059 0.162 0.000 0.917 831 L HN 0.199 nan 8.230 nan 0.000 0.441 832 L N -1.576 119.736 121.223 0.147 0.000 2.334 832 L HA 0.434 4.774 4.340 -0.000 0.000 0.270 832 L C 0.910 177.772 176.870 -0.013 0.000 1.018 832 L CA -0.403 54.388 54.840 -0.083 0.000 0.811 832 L CB 1.249 43.266 42.059 -0.069 0.000 1.271 832 L HN -0.144 nan 8.230 nan 0.000 0.443 833 G N 0.754 109.415 108.800 -0.232 0.000 3.523 833 G HA2 0.358 4.318 3.960 -0.000 0.000 0.270 833 G HA3 0.358 4.318 3.960 -0.000 0.000 0.270 833 G C -0.400 174.502 174.900 0.003 0.000 1.134 833 G CA 0.092 45.190 45.100 -0.003 0.000 0.825 833 G HN 0.235 nan 8.290 nan 0.000 0.534 834 V N 0.532 120.452 119.914 0.010 0.000 2.789 834 V HA 0.505 4.625 4.120 -0.000 0.000 0.311 834 V C -2.260 173.963 176.094 0.214 0.000 1.073 834 V CA -1.883 60.456 62.300 0.065 0.000 0.921 834 V CB 3.170 34.927 31.823 -0.111 0.000 1.009 834 V HN 0.048 nan 8.190 nan 0.000 0.426 835 P HA 0.230 nan 4.420 nan 0.000 0.269 835 P C -0.319 177.211 177.300 0.384 0.000 1.217 835 P CA 0.145 63.424 63.100 0.298 0.000 0.783 835 P CB 0.324 32.172 31.700 0.247 0.000 0.898 836 T N -3.149 111.593 114.554 0.314 0.000 3.823 836 T HA 0.358 4.708 4.350 -0.000 0.000 0.261 836 T C 0.910 175.702 174.700 0.154 0.000 0.983 836 T CA -0.439 61.811 62.100 0.251 0.000 1.151 836 T CB -0.617 68.381 68.868 0.217 0.000 1.062 836 T HN 0.387 nan 8.240 nan 0.000 0.542 837 G N 1.143 110.050 108.800 0.178 0.000 3.262 837 G HA2 0.360 4.320 3.960 -0.000 0.000 0.228 837 G HA3 0.360 4.320 3.960 -0.000 0.000 0.228 837 G C 0.680 175.468 174.900 -0.188 0.000 1.197 837 G CA 0.114 45.193 45.100 -0.035 0.000 0.819 837 G HN 0.944 nan 8.290 nan 0.000 0.531 838 C N -2.048 117.100 119.300 -0.253 0.000 2.470 838 C HA 0.822 5.281 4.460 -0.000 0.000 0.341 838 C C 2.074 176.560 174.990 -0.841 0.000 1.190 838 C CA -0.006 58.708 59.018 -0.507 0.000 1.904 838 C CB 1.451 28.811 27.740 -0.634 0.000 2.354 838 C HN 0.214 nan 8.230 nan 0.000 0.509 839 G N 0.389 108.380 108.800 -1.347 0.000 2.556 839 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 839 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 839 G C 1.488 175.925 174.900 -0.772 0.000 1.156 839 G CA 1.412 45.586 45.100 -1.544 0.000 0.766 839 G HN 0.958 nan 8.290 nan 0.000 0.583 840 E N 0.508 120.406 120.200 -0.505 0.000 2.046 840 E HA -0.129 4.220 4.350 -0.000 0.000 0.190 840 E C 2.651 179.311 176.600 0.099 0.000 0.982 840 E CA 1.325 57.668 56.400 -0.095 0.000 0.800 840 E CB -0.221 29.540 29.700 0.101 0.000 0.756 840 E HN 0.546 nan 8.360 nan 0.000 0.449 841 Q N 0.573 120.377 119.800 0.006 0.000 2.170 841 Q HA -0.075 4.265 4.340 -0.000 0.000 0.203 841 Q C 1.978 178.073 176.000 0.159 0.000 0.976 841 Q CA 1.182 57.078 55.803 0.156 0.000 0.858 841 Q CB -0.217 28.546 28.738 0.041 0.000 0.907 841 Q HN 0.162 nan 8.270 nan 0.000 0.433 842 N N -0.099 118.577 118.700 -0.041 0.000 2.519 842 N HA -0.079 4.661 4.740 -0.000 0.000 0.186 842 N C 0.912 176.436 175.510 0.023 0.000 1.062 842 N CA 0.697 53.737 53.050 -0.017 0.000 0.910 842 N CB 0.122 38.541 38.487 -0.112 0.000 0.958 842 N HN 0.295 nan 8.380 nan 0.000 0.445 843 M N 0.433 120.044 119.600 0.018 0.000 2.630 843 M HA -0.043 4.437 4.480 -0.000 0.000 0.254 843 M C 1.757 178.152 176.300 0.158 0.000 1.092 843 M CA 0.406 55.665 55.300 -0.068 0.000 1.087 843 M CB -0.786 31.560 32.600 -0.424 0.000 1.453 843 M HN -0.017 nan 8.290 nan 0.000 0.509 844 V N -1.782 118.389 119.914 0.429 0.000 2.720 844 V HA -0.177 3.943 4.120 -0.000 0.000 0.256 844 V C 1.715 177.971 176.094 0.269 0.000 1.082 844 V CA 1.452 64.029 62.300 0.461 0.000 1.101 844 V CB -1.132 30.900 31.823 0.347 0.000 0.693 844 V HN 0.311 nan 8.190 nan 0.000 0.479 845 K N -1.476 119.048 120.400 0.207 0.000 2.417 845 K HA 0.331 4.651 4.320 -0.000 0.000 0.196 845 K C 0.959 177.681 176.600 0.202 0.000 1.023 845 K CA 0.281 56.669 56.287 0.168 0.000 1.122 845 K CB 0.237 32.822 32.500 0.141 0.000 0.850 845 K HN 0.550 nan 8.250 nan 0.000 0.521 846 F N -1.888 118.055 119.950 -0.011 0.000 2.017 846 F HA 0.046 4.573 4.527 -0.000 0.000 0.245 846 F C 1.487 177.242 175.800 -0.075 0.000 1.060 846 F CA -0.029 57.933 58.000 -0.063 0.000 1.231 846 F CB -0.017 38.895 39.000 -0.147 0.000 1.527 846 F HN -0.322 nan 8.300 nan 0.000 0.636 847 V N 2.368 122.293 119.914 0.018 0.000 2.255 847 V HA -0.212 3.907 4.120 -0.000 0.000 0.247 847 V C -0.841 175.258 176.094 0.008 0.000 1.051 847 V CA 2.592 64.855 62.300 -0.062 0.000 1.018 847 V CB -1.921 29.769 31.823 -0.222 0.000 0.641 847 V HN 0.206 nan 8.190 nan 0.000 0.445 848 P HA -0.121 nan 4.420 nan 0.000 0.217 848 P C 1.312 178.614 177.300 0.003 0.000 1.148 848 P CA 1.355 64.526 63.100 0.118 0.000 0.828 848 P CB -0.179 31.622 31.700 0.169 0.000 0.783 849 N N -0.680 117.978 118.700 -0.069 0.000 2.188 849 N HA -0.068 4.671 4.740 -0.000 0.000 0.184 849 N C 1.778 177.148 175.510 -0.234 0.000 1.018 849 N CA 1.072 54.032 53.050 -0.150 0.000 0.858 849 N CB -0.490 37.885 38.487 -0.187 0.000 0.989 849 N HN 0.236 nan 8.380 nan 0.000 0.426 850 I N 0.832 121.254 120.570 -0.247 0.000 2.202 850 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 850 I C 1.941 177.992 176.117 -0.110 0.000 1.091 850 I CA 0.649 61.816 61.300 -0.222 0.000 1.368 850 I CB -0.200 37.712 38.000 -0.147 0.000 1.058 850 I HN -0.010 nan 8.210 nan 0.000 0.410 851 L N 0.297 121.505 121.223 -0.025 0.000 1.971 851 L HA -0.220 4.120 4.340 -0.000 0.000 0.215 851 L C 2.574 179.462 176.870 0.030 0.000 1.072 851 L CA 1.709 56.572 54.840 0.039 0.000 0.758 851 L CB -1.229 40.871 42.059 0.069 0.000 0.889 851 L HN 0.051 nan 8.230 nan 0.000 0.433 852 V N -0.403 119.500 119.914 -0.019 0.000 2.231 852 V HA -0.354 3.765 4.120 -0.000 0.000 0.250 852 V C 2.569 178.662 176.094 -0.002 0.000 1.058 852 V CA 2.108 64.402 62.300 -0.009 0.000 1.022 852 V CB -0.554 31.241 31.823 -0.046 0.000 0.640 852 V HN 0.366 nan 8.190 nan 0.000 0.445 853 L N 0.831 121.942 121.223 -0.187 0.000 2.012 853 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 853 L C 2.372 179.161 176.870 -0.136 0.000 1.073 853 L CA 2.114 56.744 54.840 -0.350 0.000 0.748 853 L CB -0.863 40.572 42.059 -1.039 0.000 0.891 853 L HN 0.605 nan 8.230 nan 0.000 0.431 854 D N -1.556 118.822 120.400 -0.036 0.000 2.347 854 D HA -0.234 4.406 4.640 -0.000 0.000 0.215 854 D C 1.915 178.324 176.300 0.182 0.000 0.976 854 D CA 0.574 54.695 54.000 0.201 0.000 0.884 854 D CB -0.309 40.645 40.800 0.258 0.000 0.915 854 D HN 0.480 nan 8.370 nan 0.000 0.526 855 Y N 1.638 121.962 120.300 0.041 0.000 2.176 855 Y HA 0.017 4.566 4.550 -0.000 0.000 0.291 855 Y C 1.815 177.733 175.900 0.030 0.000 1.122 855 Y CA 1.184 59.300 58.100 0.027 0.000 1.128 855 Y CB -0.267 38.188 38.460 -0.007 0.000 1.005 855 Y HN -0.008 nan 8.280 nan 0.000 0.509 856 L N -1.249 120.015 121.223 0.069 0.000 2.551 856 L HA 0.026 4.366 4.340 -0.000 0.000 0.228 856 L C 2.066 178.905 176.870 -0.052 0.000 1.153 856 L CA 1.507 56.312 54.840 -0.059 0.000 0.851 856 L CB -1.480 40.648 42.059 0.116 0.000 0.959 856 L HN 0.333 nan 8.230 nan 0.000 0.451 857 H N 0.737 119.768 119.070 -0.064 0.000 2.355 857 H HA 0.175 4.731 4.556 -0.000 0.000 0.303 857 H C 2.136 177.417 175.328 -0.079 0.000 1.061 857 H CA 1.141 57.176 56.048 -0.020 0.000 1.368 857 H CB 0.464 30.280 29.762 0.090 0.000 1.412 857 H HN 0.451 nan 8.280 nan 0.000 0.523 858 A N 1.560 124.362 122.820 -0.031 0.000 1.978 858 A HA -0.137 4.182 4.320 -0.000 0.000 0.220 858 A C 2.332 179.783 177.584 -0.221 0.000 1.170 858 A CA 1.652 53.625 52.037 -0.106 0.000 0.636 858 A CB -0.831 18.119 19.000 -0.083 0.000 0.810 858 A HN 0.609 nan 8.150 nan 0.000 0.448 859 I N -4.221 116.132 120.570 -0.360 0.000 3.793 859 I HA 0.437 4.607 4.170 -0.000 0.000 0.315 859 I C 1.159 177.143 176.117 -0.221 0.000 1.275 859 I CA 0.562 61.669 61.300 -0.321 0.000 1.214 859 I CB -0.372 37.359 38.000 -0.449 0.000 1.018 859 I HN 0.307 nan 8.210 nan 0.000 0.439 860 G N 2.146 110.807 108.800 -0.233 0.000 2.305 860 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.287 860 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.287 860 G C 0.312 175.130 174.900 -0.136 0.000 1.036 860 G CA 0.636 45.606 45.100 -0.217 0.000 0.887 860 G HN 0.686 nan 8.290 nan 0.000 0.505 861 S N -1.341 114.293 115.700 -0.110 0.000 2.568 861 S HA 0.380 4.850 4.470 -0.000 0.000 0.282 861 S C 1.241 175.827 174.600 -0.023 0.000 1.338 861 S CA 0.749 58.921 58.200 -0.047 0.000 1.045 861 S CB 0.896 64.089 63.200 -0.011 0.000 0.873 861 S HN 0.462 nan 8.310 nan 0.000 0.516 862 K N 1.792 122.189 120.400 -0.005 0.000 2.387 862 K HA 0.224 4.543 4.320 -0.000 0.000 0.203 862 K C -0.240 176.375 176.600 0.024 0.000 1.030 862 K CA 0.042 56.333 56.287 0.006 0.000 1.099 862 K CB 0.350 32.851 32.500 0.002 0.000 0.863 862 K HN 0.670 nan 8.250 nan 0.000 0.529 863 E N 1.277 121.497 120.200 0.034 0.000 1.774 863 E HA -0.084 4.266 4.350 -0.000 0.000 0.265 863 E C 0.420 177.059 176.600 0.064 0.000 1.207 863 E CA -0.178 56.254 56.400 0.052 0.000 1.054 863 E CB 0.727 30.463 29.700 0.060 0.000 1.074 863 E HN 0.136 nan 8.360 nan 0.000 0.433 864 Q N 1.413 121.250 119.800 0.063 0.000 2.096 864 Q HA -0.270 4.070 4.340 -0.000 0.000 0.204 864 Q C 1.729 177.766 176.000 0.062 0.000 0.982 864 Q CA 1.915 57.751 55.803 0.056 0.000 0.850 864 Q CB -0.252 28.516 28.738 0.050 0.000 0.901 864 Q HN 0.701 nan 8.270 nan 0.000 0.422 865 H N -0.600 118.475 119.070 0.009 0.000 2.357 865 H HA -0.154 4.401 4.556 -0.000 0.000 0.296 865 H C 1.641 176.971 175.328 0.004 0.000 1.108 865 H CA 2.245 58.296 56.048 0.006 0.000 1.273 865 H CB -0.189 29.575 29.762 0.003 0.000 1.367 865 H HN 0.307 nan 8.280 nan 0.000 0.498 866 L N -0.414 120.837 121.223 0.047 0.000 2.027 866 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 866 L C 2.573 179.406 176.870 -0.062 0.000 1.074 866 L CA 1.391 56.230 54.840 -0.002 0.000 0.745 866 L CB -0.447 41.650 42.059 0.062 0.000 0.898 866 L HN 0.331 nan 8.230 nan 0.000 0.433 867 I N 0.032 120.582 120.570 -0.034 0.000 2.179 867 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 867 I C 2.131 178.202 176.117 -0.076 0.000 1.088 867 I CA 1.242 62.514 61.300 -0.046 0.000 1.357 867 I CB -0.514 37.486 38.000 -0.000 0.000 1.051 867 I HN 0.234 nan 8.210 nan 0.000 0.409 868 D N 1.004 121.353 120.400 -0.085 0.000 2.116 868 D HA -0.215 4.424 4.640 -0.000 0.000 0.193 868 D C 2.104 178.327 176.300 -0.129 0.000 0.998 868 D CA 1.257 55.199 54.000 -0.097 0.000 0.836 868 D CB -0.224 40.513 40.800 -0.105 0.000 0.951 868 D HN 0.250 nan 8.370 nan 0.000 0.449 869 K N 0.315 120.597 120.400 -0.197 0.000 2.002 869 K HA -0.103 4.217 4.320 -0.000 0.000 0.209 869 K C 2.049 178.585 176.600 -0.106 0.000 1.048 869 K CA 1.325 57.507 56.287 -0.175 0.000 0.930 869 K CB -0.137 32.230 32.500 -0.221 0.000 0.714 869 K HN 0.055 nan 8.250 nan 0.000 0.438 870 A N 0.584 123.339 122.820 -0.108 0.000 1.940 870 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 870 A C 2.170 179.676 177.584 -0.129 0.000 1.176 870 A CA 2.228 54.197 52.037 -0.114 0.000 0.631 870 A CB -0.961 17.956 19.000 -0.138 0.000 0.814 870 A HN 0.449 nan 8.150 nan 0.000 0.446 871 T N 0.373 114.856 114.554 -0.119 0.000 2.674 871 T HA -0.166 4.184 4.350 -0.000 0.000 0.265 871 T C 2.043 176.711 174.700 -0.054 0.000 1.039 871 T CA 1.384 63.430 62.100 -0.090 0.000 1.150 871 T CB -0.415 68.420 68.868 -0.054 0.000 0.864 871 T HN 0.582 nan 8.240 nan 0.000 0.427 872 N N 1.088 119.762 118.700 -0.043 0.000 2.120 872 N HA -0.029 4.711 4.740 -0.000 0.000 0.188 872 N C 1.890 177.402 175.510 0.003 0.000 1.024 872 N CA 1.131 54.172 53.050 -0.015 0.000 0.852 872 N CB -0.321 38.155 38.487 -0.019 0.000 1.003 872 N HN 0.360 nan 8.380 nan 0.000 0.424 873 L N 0.333 121.550 121.223 -0.010 0.000 2.156 873 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 873 L C 2.363 179.250 176.870 0.029 0.000 1.095 873 L CA 0.268 55.117 54.840 0.016 0.000 0.770 873 L CB -0.305 41.758 42.059 0.007 0.000 0.914 873 L HN 0.160 nan 8.230 nan 0.000 0.439 874 L N 0.108 121.314 121.223 -0.029 0.000 2.017 874 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 874 L C 2.725 179.646 176.870 0.084 0.000 1.073 874 L CA 1.711 56.510 54.840 -0.068 0.000 0.745 874 L CB -0.545 41.394 42.059 -0.200 0.000 0.894 874 L HN 0.118 nan 8.230 nan 0.000 0.432 875 R N -0.977 119.566 120.500 0.070 0.000 2.082 875 R HA -0.220 4.120 4.340 -0.000 0.000 0.234 875 R C 2.351 178.769 176.300 0.197 0.000 1.136 875 R CA 2.151 58.327 56.100 0.126 0.000 0.935 875 R CB -0.326 30.014 30.300 0.067 0.000 0.842 875 R HN 0.517 nan 8.270 nan 0.000 0.430 876 Q N -1.188 118.698 119.800 0.143 0.000 2.152 876 Q HA -0.153 4.187 4.340 -0.000 0.000 0.206 876 Q C 1.983 178.088 176.000 0.175 0.000 0.985 876 Q CA 1.521 57.410 55.803 0.144 0.000 0.863 876 Q CB -0.193 28.605 28.738 0.100 0.000 0.904 876 Q HN 0.581 nan 8.270 nan 0.000 0.422 877 G N -0.405 108.527 108.800 0.220 0.000 2.422 877 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 877 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 877 G C 1.105 176.188 174.900 0.305 0.000 1.140 877 G CA 0.550 45.820 45.100 0.283 0.000 0.775 877 G HN 0.365 nan 8.290 nan 0.000 0.545 878 Y N 0.962 121.421 120.300 0.265 0.000 2.089 878 Y HA -0.211 4.339 4.550 -0.000 0.000 0.282 878 Y C 2.934 178.861 175.900 0.046 0.000 1.139 878 Y CA 2.356 60.532 58.100 0.127 0.000 1.123 878 Y CB -0.571 38.005 38.460 0.192 0.000 0.980 878 Y HN 0.309 nan 8.280 nan 0.000 0.493 879 Q N 0.176 120.023 119.800 0.077 0.000 2.133 879 Q HA -0.304 4.036 4.340 -0.000 0.000 0.208 879 Q C 2.256 178.218 176.000 -0.063 0.000 0.991 879 Q CA 2.106 57.907 55.803 -0.004 0.000 0.867 879 Q CB -0.470 28.372 28.738 0.173 0.000 0.911 879 Q HN 0.603 nan 8.270 nan 0.000 0.417 880 N N -0.617 118.086 118.700 0.004 0.000 2.216 880 N HA -0.183 4.557 4.740 -0.000 0.000 0.183 880 N C 1.799 177.298 175.510 -0.019 0.000 1.017 880 N CA 1.168 54.225 53.050 0.012 0.000 0.861 880 N CB 0.080 38.609 38.487 0.070 0.000 0.986 880 N HN 0.206 nan 8.380 nan 0.000 0.428 881 Q N 0.427 120.174 119.800 -0.089 0.000 2.167 881 Q HA 0.055 4.395 4.340 -0.000 0.000 0.202 881 Q C 1.802 177.798 176.000 -0.007 0.000 0.970 881 Q CA 1.032 56.783 55.803 -0.087 0.000 0.855 881 Q CB -0.179 28.314 28.738 -0.410 0.000 0.911 881 Q HN 0.275 nan 8.270 nan 0.000 0.438 882 M N -0.299 119.190 119.600 -0.185 0.000 2.337 882 M HA -0.159 4.321 4.480 -0.000 0.000 0.261 882 M C 1.890 178.068 176.300 -0.202 0.000 1.067 882 M CA 1.384 56.568 55.300 -0.194 0.000 1.074 882 M CB -0.911 31.467 32.600 -0.370 0.000 1.395 882 M HN 0.250 nan 8.290 nan 0.000 0.431 883 R N -0.279 120.068 120.500 -0.255 0.000 2.154 883 R HA -0.208 4.132 4.340 -0.000 0.000 0.248 883 R C 1.304 177.276 176.300 -0.546 0.000 1.155 883 R CA 1.780 57.603 56.100 -0.463 0.000 0.979 883 R CB -0.183 29.712 30.300 -0.675 0.000 0.869 883 R HN 0.374 nan 8.270 nan 0.000 0.452 884 Y N -0.480 119.757 120.300 -0.105 0.000 2.457 884 Y HA 0.210 4.760 4.550 -0.000 0.000 0.263 884 Y C 0.673 176.410 175.900 -0.272 0.000 1.164 884 Y CA -0.346 57.691 58.100 -0.105 0.000 1.274 884 Y CB 0.093 38.530 38.460 -0.038 0.000 1.097 884 Y HN -0.085 nan 8.280 nan 0.000 0.523 885 R N 1.936 122.188 120.500 -0.413 0.000 2.537 885 R HA 0.041 4.381 4.340 -0.000 0.000 0.280 885 R C -0.261 175.709 176.300 -0.550 0.000 1.058 885 R CA 0.044 55.587 56.100 -0.928 0.000 1.057 885 R CB 0.444 30.249 30.300 -0.824 0.000 0.973 885 R HN 0.129 nan 8.270 nan 0.000 0.438 886 Q N 1.337 120.798 119.800 -0.565 0.000 2.240 886 Q HA 0.170 4.510 4.340 -0.000 0.000 0.260 886 Q C 0.992 176.801 176.000 -0.317 0.000 1.018 886 Q CA -0.534 55.049 55.803 -0.366 0.000 0.898 886 Q CB 1.418 29.956 28.738 -0.332 0.000 1.301 886 Q HN 0.652 nan 8.270 nan 0.000 0.469 887 T N 1.246 115.672 114.554 -0.214 0.000 2.699 887 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 887 T C 0.914 175.523 174.700 -0.151 0.000 1.036 887 T CA 1.753 63.758 62.100 -0.158 0.000 1.147 887 T CB -0.166 68.640 68.868 -0.103 0.000 0.862 887 T HN 0.477 nan 8.240 nan 0.000 0.446 888 D N 0.368 120.670 120.400 -0.164 0.000 2.248 888 D HA -0.179 4.461 4.640 -0.000 0.000 0.191 888 D C 1.819 178.000 176.300 -0.198 0.000 1.013 888 D CA 1.986 55.889 54.000 -0.162 0.000 0.883 888 D CB -0.591 39.974 40.800 -0.392 0.000 0.915 888 D HN 0.635 nan 8.370 nan 0.000 0.448 889 G N -0.935 107.673 108.800 -0.321 0.000 2.176 889 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.232 889 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.232 889 G C 0.456 175.054 174.900 -0.503 0.000 0.986 889 G CA 0.862 45.776 45.100 -0.310 0.000 0.643 889 G HN 0.705 nan 8.290 nan 0.000 0.522 890 S N -0.586 114.631 115.700 -0.804 0.000 2.713 890 S HA 0.852 5.322 4.470 -0.000 0.000 0.277 890 S C -0.353 173.734 174.600 -0.855 0.000 1.168 890 S CA -0.716 56.880 58.200 -1.006 0.000 0.994 890 S CB 1.560 63.559 63.200 -2.001 0.000 1.054 890 S HN 0.494 nan 8.310 nan 0.000 0.555 891 F N -0.289 119.373 119.950 -0.479 0.000 2.495 891 F HA 0.704 5.231 4.527 -0.000 0.000 0.327 891 F C 0.865 176.505 175.800 -0.267 0.000 1.103 891 F CA -0.231 57.587 58.000 -0.303 0.000 0.949 891 F CB 2.153 40.998 39.000 -0.259 0.000 1.142 891 F HN 0.961 nan 8.300 nan 0.000 0.457 892 G N 1.671 110.432 108.800 -0.065 0.000 2.568 892 G HA2 0.446 4.406 3.960 -0.000 0.000 0.313 892 G HA3 0.446 4.406 3.960 -0.000 0.000 0.313 892 G C -0.012 174.733 174.900 -0.258 0.000 1.227 892 G CA -0.670 44.356 45.100 -0.123 0.000 0.979 892 G HN 0.643 nan 8.290 nan 0.000 0.486 893 L N -1.012 119.889 121.223 -0.537 0.000 2.131 893 L HA 0.211 4.551 4.340 -0.000 0.000 0.210 893 L C 0.267 176.480 176.870 -1.094 0.000 1.092 893 L CA 0.936 55.113 54.840 -1.105 0.000 0.759 893 L CB -0.395 40.730 42.059 -1.557 0.000 0.903 893 L HN 0.570 nan 8.230 nan 0.000 0.435 894 W N -1.772 119.545 121.300 0.029 0.000 2.820 894 W HA 0.321 4.981 4.660 -0.000 0.000 0.350 894 W C 1.483 178.046 176.519 0.073 0.000 1.116 894 W CA -0.710 56.690 57.345 0.091 0.000 1.146 894 W CB 0.670 30.105 29.460 -0.041 0.000 1.433 894 W HN -0.164 nan 8.180 nan 0.000 0.561 895 E N 0.121 120.401 120.200 0.132 0.000 2.108 895 E HA -0.192 4.158 4.350 -0.000 0.000 0.203 895 E C -0.061 176.492 176.600 -0.078 0.000 1.022 895 E CA 1.487 57.791 56.400 -0.160 0.000 0.823 895 E CB -0.004 29.571 29.700 -0.208 0.000 0.744 895 E HN 0.334 nan 8.360 nan 0.000 0.456 896 T N 0.139 114.698 114.554 0.010 0.000 2.906 896 T HA 0.428 4.777 4.350 -0.000 0.000 0.302 896 T C -0.882 173.860 174.700 0.071 0.000 1.002 896 T CA -0.427 61.670 62.100 -0.004 0.000 0.988 896 T CB 1.661 70.506 68.868 -0.039 0.000 0.972 896 T HN 0.101 nan 8.240 nan 0.000 0.447 897 T N 2.541 117.130 114.554 0.058 0.000 2.722 897 T HA 0.306 4.656 4.350 -0.000 0.000 0.314 897 T C -1.274 173.452 174.700 0.044 0.000 1.675 897 T CA -0.828 61.333 62.100 0.102 0.000 1.003 897 T CB 0.865 69.875 68.868 0.236 0.000 1.602 897 T HN 0.574 nan 8.240 nan 0.000 0.496 898 N N 0.913 119.659 118.700 0.077 0.000 2.412 898 N HA 0.389 5.129 4.740 -0.000 0.000 0.254 898 N C 0.703 176.246 175.510 0.056 0.000 1.232 898 N CA 0.320 53.419 53.050 0.082 0.000 0.880 898 N CB 0.491 39.058 38.487 0.133 0.000 1.076 898 N HN 0.741 nan 8.380 nan 0.000 0.458 899 G N 0.523 109.322 108.800 -0.002 0.000 2.614 899 G HA2 0.169 4.129 3.960 -0.000 0.000 0.239 899 G HA3 0.169 4.129 3.960 -0.000 0.000 0.239 899 G C -0.258 174.731 174.900 0.147 0.000 1.240 899 G CA -0.343 44.679 45.100 -0.130 0.000 0.842 899 G HN 0.434 nan 8.290 nan 0.000 0.584 900 S N -0.254 115.522 115.700 0.128 0.000 2.472 900 S HA 0.303 4.773 4.470 -0.000 0.000 0.303 900 S C 1.184 176.029 174.600 0.407 0.000 1.099 900 S CA -0.192 58.190 58.200 0.304 0.000 1.077 900 S CB 1.692 65.066 63.200 0.290 0.000 1.031 900 S HN 1.379 nan 8.310 nan 0.000 0.487 901 V N 4.984 125.175 119.914 0.461 0.000 2.453 901 V HA 0.081 4.201 4.120 -0.000 0.000 0.247 901 V C 1.734 178.016 176.094 0.313 0.000 1.048 901 V CA 1.766 64.327 62.300 0.435 0.000 1.049 901 V CB -1.280 30.722 31.823 0.299 0.000 0.672 901 V HN 0.872 nan 8.190 nan 0.000 0.457 902 F N 1.124 121.123 119.950 0.082 0.000 2.069 902 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 902 F C 2.003 177.867 175.800 0.107 0.000 1.113 902 F CA 2.355 60.340 58.000 -0.024 0.000 1.214 902 F CB -0.857 38.038 39.000 -0.174 0.000 0.978 902 F HN 0.254 nan 8.300 nan 0.000 0.474 903 L N 0.161 121.397 121.223 0.022 0.000 2.046 903 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 903 L C 2.349 179.194 176.870 -0.043 0.000 1.077 903 L CA 2.419 57.192 54.840 -0.112 0.000 0.747 903 L CB -1.285 40.726 42.059 -0.080 0.000 0.896 903 L HN 0.217 nan 8.230 nan 0.000 0.432 904 T N -0.478 114.132 114.554 0.092 0.000 2.746 904 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 904 T C 1.901 176.667 174.700 0.109 0.000 1.039 904 T CA 1.202 63.383 62.100 0.135 0.000 1.142 904 T CB -0.456 68.536 68.868 0.207 0.000 0.866 904 T HN 0.481 nan 8.240 nan 0.000 0.444 905 A N 1.415 124.331 122.820 0.160 0.000 1.877 905 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 905 A C 2.002 179.716 177.584 0.216 0.000 1.186 905 A CA 1.207 53.340 52.037 0.159 0.000 0.620 905 A CB -0.903 18.220 19.000 0.206 0.000 0.822 905 A HN 0.420 nan 8.150 nan 0.000 0.443 906 F N 1.118 121.097 119.950 0.049 0.000 2.051 906 F HA -0.150 4.377 4.527 -0.000 0.000 0.296 906 F C 2.327 178.025 175.800 -0.170 0.000 1.122 906 F CA 1.878 59.868 58.000 -0.016 0.000 1.201 906 F CB -0.906 37.921 39.000 -0.287 0.000 0.978 906 F HN 0.041 nan 8.300 nan 0.000 0.472 907 V N 0.650 120.271 119.914 -0.489 0.000 2.237 907 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 907 V C 2.858 178.647 176.094 -0.509 0.000 1.046 907 V CA 1.953 63.763 62.300 -0.818 0.000 1.007 907 V CB -1.799 29.235 31.823 -1.316 0.000 0.638 907 V HN 0.518 nan 8.190 nan 0.000 0.445 908 G N 0.528 109.137 108.800 -0.318 0.000 2.513 908 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.219 908 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.219 908 G C 1.793 176.665 174.900 -0.046 0.000 1.160 908 G CA 2.203 47.237 45.100 -0.110 0.000 0.767 908 G HN 0.596 nan 8.290 nan 0.000 0.571 909 T N -2.242 112.299 114.554 -0.021 0.000 2.857 909 T HA -0.026 4.324 4.350 -0.000 0.000 0.266 909 T C 2.444 177.165 174.700 0.035 0.000 1.048 909 T CA 1.735 63.848 62.100 0.021 0.000 1.139 909 T CB -0.384 68.503 68.868 0.032 0.000 0.874 909 T HN 0.204 nan 8.240 nan 0.000 0.455 910 S N 0.899 116.607 115.700 0.014 0.000 2.382 910 S HA -0.056 4.414 4.470 -0.000 0.000 0.228 910 S C 2.179 176.906 174.600 0.212 0.000 1.027 910 S CA 1.343 59.592 58.200 0.082 0.000 0.991 910 S CB -0.592 62.586 63.200 -0.038 0.000 0.823 910 S HN 0.531 nan 8.310 nan 0.000 0.469 911 M N 0.311 119.983 119.600 0.120 0.000 2.175 911 M HA -0.078 4.401 4.480 -0.000 0.000 0.264 911 M C 2.420 178.792 176.300 0.119 0.000 1.063 911 M CA 1.389 56.807 55.300 0.196 0.000 1.119 911 M CB -0.832 31.805 32.600 0.062 0.000 1.377 911 M HN 0.315 nan 8.290 nan 0.000 0.415 912 Q N 1.029 120.868 119.800 0.065 0.000 2.061 912 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 912 Q C 1.806 177.818 176.000 0.019 0.000 0.984 912 Q CA 2.601 58.426 55.803 0.038 0.000 0.846 912 Q CB -0.778 27.984 28.738 0.040 0.000 0.902 912 Q HN 0.457 nan 8.270 nan 0.000 0.421 913 T N 0.408 114.984 114.554 0.037 0.000 2.699 913 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 913 T C 1.642 176.347 174.700 0.007 0.000 1.036 913 T CA 1.618 63.732 62.100 0.024 0.000 1.147 913 T CB -0.641 68.266 68.868 0.065 0.000 0.862 913 T HN 0.475 nan 8.240 nan 0.000 0.446 914 A N 0.784 123.632 122.820 0.048 0.000 2.121 914 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 914 A C 2.448 180.018 177.584 -0.022 0.000 1.154 914 A CA 0.636 52.698 52.037 0.043 0.000 0.679 914 A CB -0.742 18.270 19.000 0.021 0.000 0.795 914 A HN 0.387 nan 8.150 nan 0.000 0.458 915 V N 0.124 120.000 119.914 -0.063 0.000 2.594 915 V HA -0.278 3.842 4.120 -0.000 0.000 0.253 915 V C 2.303 178.287 176.094 -0.183 0.000 1.069 915 V CA 2.188 64.424 62.300 -0.106 0.000 1.082 915 V CB -0.680 31.094 31.823 -0.081 0.000 0.680 915 V HN 0.578 nan 8.190 nan 0.000 0.469 916 K N -0.793 119.420 120.400 -0.312 0.000 2.103 916 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 916 K C 1.849 178.092 176.600 -0.596 0.000 1.048 916 K CA 2.001 57.942 56.287 -0.576 0.000 0.930 916 K CB -0.205 31.682 32.500 -1.022 0.000 0.716 916 K HN 0.586 nan 8.250 nan 0.000 0.444 917 Y N -0.447 119.781 120.300 -0.121 0.000 2.558 917 Y HA 0.268 4.817 4.550 -0.000 0.000 0.273 917 Y C 0.940 176.777 175.900 -0.104 0.000 1.100 917 Y CA -0.701 57.329 58.100 -0.116 0.000 1.276 917 Y CB 0.422 38.807 38.460 -0.126 0.000 1.196 917 Y HN -0.061 nan 8.280 nan 0.000 0.527 918 I N -2.478 118.101 120.570 0.014 0.000 2.689 918 I HA 0.492 4.662 4.170 -0.000 0.000 0.299 918 I C 0.621 176.677 176.117 -0.101 0.000 1.059 918 I CA -0.807 60.465 61.300 -0.047 0.000 1.055 918 I CB 2.387 40.351 38.000 -0.060 0.000 1.243 918 I HN -0.104 nan 8.210 nan 0.000 0.425 919 S N 0.297 115.928 115.700 -0.114 0.000 2.575 919 S HA 0.102 4.572 4.470 -0.000 0.000 0.215 919 S C 0.604 175.102 174.600 -0.170 0.000 0.966 919 S CA -0.081 58.041 58.200 -0.129 0.000 0.911 919 S CB -0.395 62.737 63.200 -0.114 0.000 0.780 919 S HN 0.758 nan 8.310 nan 0.000 0.514 920 D N 1.447 121.719 120.400 -0.215 0.000 2.355 920 D HA 0.192 4.832 4.640 -0.000 0.000 0.218 920 D C 0.306 176.363 176.300 -0.405 0.000 1.004 920 D CA 0.206 54.053 54.000 -0.254 0.000 0.880 920 D CB 0.097 40.775 40.800 -0.203 0.000 0.911 920 D HN 0.445 nan 8.370 nan 0.000 0.528 921 I N 1.909 122.195 120.570 -0.473 0.000 2.533 921 I HA -0.062 4.107 4.170 -0.000 0.000 0.284 921 I C 0.776 176.792 176.117 -0.169 0.000 1.109 921 I CA -0.094 60.877 61.300 -0.547 0.000 1.412 921 I CB 0.707 38.485 38.000 -0.371 0.000 1.396 921 I HN -0.272 nan 8.210 nan 0.000 0.543 922 D N 6.423 126.826 120.400 0.004 0.000 2.359 922 D HA 0.153 4.793 4.640 -0.000 0.000 0.250 922 D C 0.861 177.202 176.300 0.068 0.000 1.264 922 D CA 0.039 54.084 54.000 0.075 0.000 0.911 922 D CB 1.416 42.303 40.800 0.146 0.000 1.056 922 D HN 0.676 nan 8.370 nan 0.000 0.499 923 A N 4.261 127.103 122.820 0.036 0.000 1.908 923 A HA -0.127 4.192 4.320 -0.000 0.000 0.218 923 A C 2.143 179.760 177.584 0.055 0.000 1.181 923 A CA 1.825 53.885 52.037 0.038 0.000 0.627 923 A CB -0.460 18.553 19.000 0.022 0.000 0.818 923 A HN 0.639 nan 8.150 nan 0.000 0.445 924 A N -0.879 121.971 122.820 0.051 0.000 1.902 924 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 924 A C 2.214 179.833 177.584 0.059 0.000 1.181 924 A CA 2.036 54.103 52.037 0.049 0.000 0.623 924 A CB -0.520 18.503 19.000 0.037 0.000 0.818 924 A HN 0.525 nan 8.150 nan 0.000 0.443 925 M N 0.175 119.815 119.600 0.066 0.000 2.117 925 M HA -0.104 4.376 4.480 -0.000 0.000 0.262 925 M C 2.002 178.365 176.300 0.104 0.000 1.065 925 M CA 1.856 57.198 55.300 0.070 0.000 1.114 925 M CB -0.809 31.844 32.600 0.088 0.000 1.361 925 M HN 0.228 nan 8.290 nan 0.000 0.408 926 V N 0.972 120.957 119.914 0.118 0.000 2.261 926 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 926 V C 2.193 178.364 176.094 0.128 0.000 1.047 926 V CA 2.066 64.442 62.300 0.125 0.000 1.015 926 V CB -0.920 30.962 31.823 0.099 0.000 0.642 926 V HN 0.489 nan 8.190 nan 0.000 0.446 927 E N 0.059 120.328 120.200 0.116 0.000 2.070 927 E HA -0.327 4.023 4.350 -0.000 0.000 0.197 927 E C 2.290 178.978 176.600 0.147 0.000 1.004 927 E CA 1.730 58.211 56.400 0.136 0.000 0.805 927 E CB -0.231 29.528 29.700 0.098 0.000 0.744 927 E HN 0.521 nan 8.360 nan 0.000 0.451 928 K N 0.520 120.988 120.400 0.113 0.000 2.063 928 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 928 K C 2.123 178.811 176.600 0.147 0.000 1.048 928 K CA 1.201 57.554 56.287 0.109 0.000 0.928 928 K CB -0.093 32.440 32.500 0.054 0.000 0.713 928 K HN 0.098 nan 8.250 nan 0.000 0.442 929 A N 1.059 123.962 122.820 0.139 0.000 1.898 929 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 929 A C 2.065 179.788 177.584 0.233 0.000 1.181 929 A CA 1.191 53.331 52.037 0.171 0.000 0.620 929 A CB -0.525 18.614 19.000 0.232 0.000 0.819 929 A HN 0.294 nan 8.150 nan 0.000 0.442 930 L N -0.622 120.703 121.223 0.171 0.000 2.156 930 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 930 L C 1.937 178.847 176.870 0.066 0.000 1.095 930 L CA 1.130 56.011 54.840 0.068 0.000 0.770 930 L CB -0.730 41.344 42.059 0.025 0.000 0.914 930 L HN 0.301 nan 8.230 nan 0.000 0.439 931 D N -0.444 120.080 120.400 0.207 0.000 2.117 931 D HA -0.237 4.403 4.640 -0.000 0.000 0.197 931 D C 1.710 178.127 176.300 0.195 0.000 0.987 931 D CA 1.161 55.292 54.000 0.218 0.000 0.829 931 D CB -0.232 40.687 40.800 0.198 0.000 0.961 931 D HN 0.395 nan 8.370 nan 0.000 0.460 932 W N 1.389 122.718 121.300 0.048 0.000 2.333 932 W HA -0.216 4.444 4.660 -0.000 0.000 0.316 932 W C 2.166 178.722 176.519 0.062 0.000 1.215 932 W CA 1.143 58.513 57.345 0.043 0.000 1.278 932 W CB -0.531 28.950 29.460 0.034 0.000 1.154 932 W HN -0.009 nan 8.180 nan 0.000 0.486 933 L N 1.842 123.317 121.223 0.420 0.000 2.013 933 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 933 L C 2.458 179.408 176.870 0.134 0.000 1.073 933 L CA 3.065 58.053 54.840 0.246 0.000 0.753 933 L CB -1.500 40.699 42.059 0.233 0.000 0.890 933 L HN 0.097 nan 8.230 nan 0.000 0.432 934 A N -1.001 121.861 122.820 0.071 0.000 1.972 934 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 934 A C 2.439 180.011 177.584 -0.019 0.000 1.169 934 A CA 1.943 54.024 52.037 0.074 0.000 0.635 934 A CB -1.104 17.942 19.000 0.077 0.000 0.810 934 A HN 0.699 nan 8.150 nan 0.000 0.446 935 S N -0.893 114.751 115.700 -0.093 0.000 2.481 935 S HA -0.029 4.441 4.470 -0.000 0.000 0.231 935 S C 1.588 176.013 174.600 -0.291 0.000 0.996 935 S CA 0.954 59.041 58.200 -0.188 0.000 0.942 935 S CB -0.112 62.979 63.200 -0.181 0.000 0.768 935 S HN 0.430 nan 8.310 nan 0.000 0.520 936 K N 1.086 121.307 120.400 -0.298 0.000 2.366 936 K HA 0.162 4.482 4.320 -0.000 0.000 0.198 936 K C 0.995 177.410 176.600 -0.308 0.000 1.044 936 K CA 0.130 56.237 56.287 -0.301 0.000 0.973 936 K CB -0.266 32.069 32.500 -0.275 0.000 0.767 936 K HN 0.619 nan 8.250 nan 0.000 0.475 937 Q N 0.728 120.248 119.800 -0.468 0.000 2.364 937 Q HA -0.018 4.322 4.340 -0.000 0.000 0.267 937 Q C -0.432 175.273 176.000 -0.492 0.000 0.999 937 Q CA 0.251 55.552 55.803 -0.836 0.000 0.886 937 Q CB 0.550 28.803 28.738 -0.808 0.000 1.243 937 Q HN 0.264 nan 8.270 nan 0.000 0.415 938 H N 2.499 121.197 119.070 -0.620 0.000 2.505 938 H HA 0.029 4.585 4.556 -0.000 0.000 0.355 938 H C 0.636 175.749 175.328 -0.360 0.000 1.179 938 H CA -0.509 55.269 56.048 -0.449 0.000 1.343 938 H CB 0.658 30.225 29.762 -0.325 0.000 1.501 938 H HN 0.725 nan 8.280 nan 0.000 0.569 939 F N 0.859 120.767 119.950 -0.070 0.000 2.147 939 F HA -0.289 4.238 4.527 -0.000 0.000 0.301 939 F C 2.850 178.634 175.800 -0.027 0.000 1.084 939 F CA 1.714 59.683 58.000 -0.052 0.000 1.268 939 F CB -0.486 38.490 39.000 -0.040 0.000 1.009 939 F HN 0.492 nan 8.300 nan 0.000 0.486 940 S N -1.059 114.741 115.700 0.166 0.000 2.481 940 S HA 0.249 4.719 4.470 -0.000 0.000 0.231 940 S C 1.872 176.500 174.600 0.047 0.000 0.996 940 S CA 0.635 58.909 58.200 0.125 0.000 0.942 940 S CB -0.174 63.109 63.200 0.139 0.000 0.768 940 S HN 0.665 nan 8.310 nan 0.000 0.520 941 G N 0.868 109.603 108.800 -0.109 0.000 2.184 941 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.206 941 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.206 941 G C 0.048 174.704 174.900 -0.406 0.000 0.995 941 G CA -0.103 44.903 45.100 -0.156 0.000 0.651 941 G HN 0.638 nan 8.290 nan 0.000 0.511 942 R N -0.125 119.952 120.500 -0.705 0.000 2.404 942 R HA 0.670 5.010 4.340 -0.000 0.000 0.291 942 R C -0.935 174.925 176.300 -0.734 0.000 1.025 942 R CA -0.531 54.996 56.100 -0.956 0.000 0.991 942 R CB 0.300 29.812 30.300 -1.314 0.000 1.053 942 R HN 0.003 nan 8.270 nan 0.000 0.479 943 F N 2.109 121.839 119.950 -0.366 0.000 2.436 943 F HA 0.273 4.800 4.527 -0.000 0.000 0.340 943 F C 0.249 175.908 175.800 -0.235 0.000 1.113 943 F CA -0.396 57.471 58.000 -0.222 0.000 1.022 943 F CB 1.654 40.597 39.000 -0.094 0.000 1.128 943 F HN 0.390 nan 8.300 nan 0.000 0.466 944 D N 1.702 122.086 120.400 -0.026 0.000 2.272 944 D HA 0.273 4.913 4.640 -0.000 0.000 0.247 944 D C -0.501 175.851 176.300 0.086 0.000 0.990 944 D CA -0.710 53.286 54.000 -0.008 0.000 0.931 944 D CB 1.528 42.317 40.800 -0.019 0.000 1.195 944 D HN 0.400 nan 8.370 nan 0.000 0.477 945 K N -0.371 120.065 120.400 0.060 0.000 2.286 945 K HA 0.573 4.893 4.320 -0.000 0.000 0.256 945 K C -0.764 175.914 176.600 0.129 0.000 0.999 945 K CA -0.536 55.802 56.287 0.085 0.000 0.908 945 K CB 0.536 33.058 32.500 0.036 0.000 0.981 945 K HN 0.291 nan 8.250 nan 0.000 0.500 946 A N 0.624 123.553 122.820 0.181 0.000 2.520 946 A HA 0.737 5.056 4.320 -0.000 0.000 0.298 946 A C 0.141 177.864 177.584 0.231 0.000 1.051 946 A CA -0.269 51.896 52.037 0.213 0.000 0.690 946 A CB 0.935 20.111 19.000 0.293 0.000 1.281 946 A HN 1.396 nan 8.150 nan 0.000 0.402 947 G N 0.050 108.971 108.800 0.202 0.000 2.642 947 G HA2 0.392 4.352 3.960 -0.000 0.000 0.231 947 G HA3 0.392 4.352 3.960 -0.000 0.000 0.231 947 G C 0.540 175.562 174.900 0.203 0.000 1.338 947 G CA -0.031 45.187 45.100 0.197 0.000 0.883 947 G HN 2.468 nan 8.290 nan 0.000 0.570 948 A N -0.285 122.680 122.820 0.240 0.000 2.386 948 A HA 0.569 4.889 4.320 -0.000 0.000 0.248 948 A C 0.646 178.404 177.584 0.290 0.000 1.082 948 A CA 0.987 53.183 52.037 0.266 0.000 0.789 948 A CB 0.446 19.639 19.000 0.323 0.000 1.025 948 A HN 1.000 nan 8.150 nan 0.000 0.490 949 E N 1.108 121.426 120.200 0.198 0.000 1.963 949 E HA 0.298 4.647 4.350 -0.000 0.000 0.274 949 E C -0.395 176.297 176.600 0.153 0.000 1.061 949 E CA -0.298 56.156 56.400 0.089 0.000 0.847 949 E CB 0.088 29.813 29.700 0.041 0.000 1.083 949 E HN 0.709 nan 8.360 nan 0.000 0.402 950 Y N 1.571 121.950 120.300 0.132 0.000 2.481 950 Y HA 0.258 4.808 4.550 -0.000 0.000 0.258 950 Y C 0.451 176.460 175.900 0.182 0.000 1.103 950 Y CA -0.386 57.827 58.100 0.188 0.000 1.287 950 Y CB 0.110 38.683 38.460 0.188 0.000 1.108 950 Y HN 0.435 nan 8.280 nan 0.000 0.529 951 H N 0.962 119.757 119.070 -0.458 0.000 2.761 951 H HA 0.370 4.926 4.556 -0.000 0.000 0.263 951 H C 0.580 175.687 175.328 -0.368 0.000 1.292 951 H CA -0.538 55.214 56.048 -0.493 0.000 1.540 951 H CB 0.716 29.997 29.762 -0.800 0.000 1.569 951 H HN 0.068 nan 8.280 nan 0.000 0.510 952 K N 1.284 121.624 120.400 -0.101 0.000 2.089 952 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 952 K C 1.364 177.944 176.600 -0.032 0.000 1.048 952 K CA 1.517 57.767 56.287 -0.062 0.000 0.926 952 K CB 0.214 32.682 32.500 -0.053 0.000 0.714 952 K HN 0.585 nan 8.250 nan 0.000 0.448 953 E N -0.081 120.116 120.200 -0.005 0.000 2.204 953 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 953 E C 1.890 178.535 176.600 0.076 0.000 0.989 953 E CA 0.844 57.225 56.400 -0.031 0.000 0.824 953 E CB 0.045 29.561 29.700 -0.307 0.000 0.756 953 E HN 0.254 nan 8.360 nan 0.000 0.477 954 M N 0.034 119.623 119.600 -0.019 0.000 2.299 954 M HA -0.006 4.474 4.480 -0.000 0.000 0.264 954 M C 1.751 177.852 176.300 -0.332 0.000 1.095 954 M CA 1.400 56.484 55.300 -0.361 0.000 1.165 954 M CB -0.281 31.623 32.600 -1.159 0.000 1.349 954 M HN 0.018 nan 8.290 nan 0.000 0.446 955 Q N -0.615 119.009 119.800 -0.293 0.000 2.398 955 Q HA 0.154 4.494 4.340 -0.000 0.000 0.204 955 Q C 0.862 176.802 176.000 -0.101 0.000 0.932 955 Q CA 0.102 55.777 55.803 -0.213 0.000 0.916 955 Q CB 0.041 28.637 28.738 -0.237 0.000 1.024 955 Q HN 0.473 nan 8.270 nan 0.000 0.504 956 G N 0.212 108.968 108.800 -0.074 0.000 2.414 956 G HA2 0.232 4.191 3.960 -0.000 0.000 0.236 956 G HA3 0.232 4.191 3.960 -0.000 0.000 0.236 956 G C 0.349 175.238 174.900 -0.018 0.000 1.293 956 G CA -0.018 45.063 45.100 -0.031 0.000 0.869 956 G HN 0.294 nan 8.290 nan 0.000 0.556 957 G N 0.857 109.653 108.800 -0.005 0.000 3.959 957 G HA2 0.332 4.292 3.960 -0.000 0.000 0.298 957 G HA3 0.332 4.292 3.960 -0.000 0.000 0.298 957 G C 0.972 175.878 174.900 0.011 0.000 1.211 957 G CA -0.365 44.736 45.100 0.001 0.000 1.001 957 G HN 0.502 nan 8.290 nan 0.000 0.561 958 L N -0.997 120.233 121.223 0.012 0.000 2.529 958 L HA 0.302 4.642 4.340 -0.000 0.000 0.223 958 L C 1.667 178.547 176.870 0.017 0.000 1.113 958 L CA 0.307 55.156 54.840 0.015 0.000 0.861 958 L CB 0.276 42.344 42.059 0.015 0.000 1.012 958 L HN 0.087 nan 8.230 nan 0.000 0.461 959 R N 0.720 121.232 120.500 0.019 0.000 2.881 959 R HA 0.238 4.578 4.340 -0.000 0.000 0.331 959 R C -0.233 176.085 176.300 0.029 0.000 1.207 959 R CA -0.264 55.847 56.100 0.018 0.000 1.265 959 R CB 0.210 30.520 30.300 0.017 0.000 1.351 959 R HN 0.134 nan 8.270 nan 0.000 0.613 960 N N 0.522 119.249 118.700 0.045 0.000 2.708 960 N HA -0.201 4.539 4.740 -0.000 0.000 0.251 960 N C 0.687 176.287 175.510 0.151 0.000 1.123 960 N CA 1.420 54.529 53.050 0.097 0.000 0.739 960 N CB -0.994 37.545 38.487 0.086 0.000 1.113 960 N HN 0.794 nan 8.380 nan 0.000 0.561 961 G N -1.264 107.580 108.800 0.073 0.000 2.198 961 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.260 961 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.260 961 G C 0.984 175.943 174.900 0.099 0.000 1.025 961 G CA 0.490 45.619 45.100 0.048 0.000 0.769 961 G HN 0.387 nan 8.290 nan 0.000 0.507 962 V N 0.087 120.061 119.914 0.100 0.000 2.358 962 V HA -0.033 4.087 4.120 -0.000 0.000 0.246 962 V C 3.185 179.277 176.094 -0.004 0.000 1.047 962 V CA 2.881 65.231 62.300 0.083 0.000 1.035 962 V CB -0.946 30.887 31.823 0.018 0.000 0.658 962 V HN 0.872 nan 8.190 nan 0.000 0.452 963 A N 0.056 122.844 122.820 -0.054 0.000 1.851 963 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 963 A C 2.179 179.675 177.584 -0.147 0.000 1.195 963 A CA 2.276 54.217 52.037 -0.161 0.000 0.622 963 A CB -0.689 18.236 19.000 -0.125 0.000 0.831 963 A HN 0.434 nan 8.150 nan 0.000 0.444 964 L N -0.278 120.879 121.223 -0.109 0.000 2.056 964 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 964 L C 2.494 179.364 176.870 0.000 0.000 1.078 964 L CA 2.792 57.572 54.840 -0.099 0.000 0.749 964 L CB -1.062 40.946 42.059 -0.086 0.000 0.901 964 L HN 0.405 nan 8.230 nan 0.000 0.433 965 T N -0.964 113.632 114.554 0.071 0.000 2.684 965 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 965 T C 1.964 176.711 174.700 0.078 0.000 1.036 965 T CA 1.712 63.914 62.100 0.169 0.000 1.148 965 T CB -0.371 68.619 68.868 0.203 0.000 0.863 965 T HN 0.399 nan 8.240 nan 0.000 0.436 966 S N 0.312 116.023 115.700 0.019 0.000 2.368 966 S HA -0.103 4.367 4.470 -0.000 0.000 0.225 966 S C 1.703 176.249 174.600 -0.090 0.000 1.030 966 S CA 1.062 59.230 58.200 -0.054 0.000 0.999 966 S CB -0.500 62.627 63.200 -0.122 0.000 0.844 966 S HN 0.600 nan 8.310 nan 0.000 0.459 967 Y N 2.374 122.558 120.300 -0.193 0.000 2.114 967 Y HA -0.181 4.369 4.550 -0.000 0.000 0.284 967 Y C 2.281 178.123 175.900 -0.097 0.000 1.143 967 Y CA 1.331 59.340 58.100 -0.151 0.000 1.135 967 Y CB -0.551 37.816 38.460 -0.154 0.000 0.980 967 Y HN 0.009 nan 8.280 nan 0.000 0.499 968 V N 0.719 120.635 119.914 0.003 0.000 2.282 968 V HA -0.367 3.752 4.120 -0.000 0.000 0.249 968 V C 2.411 178.390 176.094 -0.191 0.000 1.057 968 V CA 2.216 64.401 62.300 -0.191 0.000 1.032 968 V CB -0.908 30.509 31.823 -0.676 0.000 0.645 968 V HN 0.453 nan 8.190 nan 0.000 0.447 969 L N -1.064 120.086 121.223 -0.121 0.000 2.017 969 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 969 L C 2.597 179.382 176.870 -0.142 0.000 1.073 969 L CA 1.866 56.663 54.840 -0.073 0.000 0.745 969 L CB -0.681 41.370 42.059 -0.013 0.000 0.894 969 L HN 0.331 nan 8.230 nan 0.000 0.432 970 M N 0.338 119.809 119.600 -0.215 0.000 2.073 970 M HA -0.269 4.211 4.480 -0.000 0.000 0.258 970 M C 2.399 178.535 176.300 -0.273 0.000 1.070 970 M CA 2.570 57.693 55.300 -0.295 0.000 1.103 970 M CB -0.603 31.806 32.600 -0.318 0.000 1.321 970 M HN 0.300 nan 8.290 nan 0.000 0.405 971 A N 0.406 123.022 122.820 -0.340 0.000 1.902 971 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 971 A C 2.182 179.702 177.584 -0.107 0.000 1.181 971 A CA 1.604 53.498 52.037 -0.237 0.000 0.623 971 A CB -0.942 17.901 19.000 -0.261 0.000 0.818 971 A HN 0.613 nan 8.150 nan 0.000 0.443 972 L N -0.884 120.282 121.223 -0.096 0.000 2.093 972 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 972 L C 2.510 179.364 176.870 -0.028 0.000 1.085 972 L CA 0.892 55.712 54.840 -0.034 0.000 0.755 972 L CB -0.465 41.588 42.059 -0.011 0.000 0.904 972 L HN 0.356 nan 8.230 nan 0.000 0.435 973 L N -0.497 120.686 121.223 -0.068 0.000 2.131 973 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 973 L C 2.374 179.207 176.870 -0.063 0.000 1.092 973 L CA 1.170 55.967 54.840 -0.071 0.000 0.759 973 L CB -0.366 41.619 42.059 -0.123 0.000 0.903 973 L HN 0.262 nan 8.230 nan 0.000 0.435 974 E N -0.321 119.839 120.200 -0.067 0.000 2.338 974 E HA -0.142 4.208 4.350 -0.000 0.000 0.197 974 E C 0.401 177.007 176.600 0.010 0.000 1.007 974 E CA 0.356 56.744 56.400 -0.019 0.000 0.849 974 E CB 0.108 29.816 29.700 0.012 0.000 0.774 974 E HN 0.329 nan 8.360 nan 0.000 0.506 975 N N 0.182 118.886 118.700 0.008 0.000 2.443 975 N HA 0.017 4.757 4.740 -0.000 0.000 0.269 975 N C -0.319 175.201 175.510 0.016 0.000 0.985 975 N CA -0.292 52.767 53.050 0.016 0.000 0.921 975 N CB 1.155 39.657 38.487 0.024 0.000 1.195 975 N HN -0.206 nan 8.380 nan 0.000 0.492 976 D N 2.716 123.121 120.400 0.010 0.000 2.133 976 D HA -0.192 4.448 4.640 -0.000 0.000 0.195 976 D C 1.523 177.830 176.300 0.012 0.000 0.997 976 D CA 1.389 55.394 54.000 0.008 0.000 0.840 976 D CB 0.089 40.890 40.800 0.001 0.000 0.947 976 D HN 0.613 nan 8.370 nan 0.000 0.452 977 I N 0.818 121.395 120.570 0.011 0.000 2.252 977 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 977 I C 2.439 178.580 176.117 0.039 0.000 1.102 977 I CA 1.052 62.361 61.300 0.015 0.000 1.385 977 I CB -0.173 37.832 38.000 0.008 0.000 1.064 977 I HN -0.060 nan 8.210 nan 0.000 0.414 978 A N 0.626 123.485 122.820 0.066 0.000 1.930 978 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 978 A C 2.348 180.012 177.584 0.133 0.000 1.175 978 A CA 1.751 53.869 52.037 0.135 0.000 0.627 978 A CB -0.481 18.588 19.000 0.115 0.000 0.815 978 A HN 0.335 nan 8.150 nan 0.000 0.443 979 K N -0.096 120.346 120.400 0.070 0.000 2.020 979 K HA -0.159 4.161 4.320 -0.000 0.000 0.212 979 K C 2.118 178.745 176.600 0.045 0.000 1.050 979 K CA 1.593 57.913 56.287 0.054 0.000 0.929 979 K CB -0.388 32.128 32.500 0.026 0.000 0.714 979 K HN 0.345 nan 8.250 nan 0.000 0.443 980 A N 0.915 123.748 122.820 0.022 0.000 1.902 980 A HA -0.146 4.173 4.320 -0.000 0.000 0.217 980 A C 1.789 179.354 177.584 -0.032 0.000 1.181 980 A CA 1.737 53.773 52.037 -0.001 0.000 0.623 980 A CB -0.288 18.708 19.000 -0.008 0.000 0.818 980 A HN 0.345 nan 8.150 nan 0.000 0.443 981 K N -1.365 118.998 120.400 -0.061 0.000 2.426 981 K HA 0.060 4.380 4.320 -0.000 0.000 0.193 981 K C -0.365 175.941 176.600 -0.489 0.000 1.028 981 K CA 0.508 56.659 56.287 -0.227 0.000 1.047 981 K CB 0.059 32.421 32.500 -0.230 0.000 0.821 981 K HN 0.682 nan 8.250 nan 0.000 0.513 982 H N -1.412 117.678 119.070 0.033 0.000 2.716 982 H HA 0.257 4.812 4.556 -0.000 0.000 0.230 982 H C 0.529 175.882 175.328 0.041 0.000 1.401 982 H CA -0.270 55.803 56.048 0.043 0.000 1.168 982 H CB 1.026 30.823 29.762 0.058 0.000 1.935 982 H HN 0.099 nan 8.280 nan 0.000 0.538 983 A N 0.393 123.261 122.820 0.080 0.000 1.933 983 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 983 A C 2.176 179.805 177.584 0.074 0.000 1.175 983 A CA 1.741 53.816 52.037 0.063 0.000 0.628 983 A CB -0.076 18.942 19.000 0.030 0.000 0.814 983 A HN 0.623 nan 8.150 nan 0.000 0.444 984 E N -0.135 120.110 120.200 0.075 0.000 2.058 984 E HA -0.170 4.179 4.350 -0.000 0.000 0.194 984 E C 1.947 178.600 176.600 0.088 0.000 0.997 984 E CA 1.738 58.181 56.400 0.071 0.000 0.801 984 E CB -0.161 29.577 29.700 0.063 0.000 0.746 984 E HN 0.353 nan 8.360 nan 0.000 0.450 985 V N 1.103 121.094 119.914 0.128 0.000 2.332 985 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 985 V C 2.365 178.545 176.094 0.144 0.000 1.055 985 V CA 1.759 64.146 62.300 0.146 0.000 1.038 985 V CB -0.423 31.521 31.823 0.203 0.000 0.651 985 V HN 0.302 nan 8.190 nan 0.000 0.450 986 I N -0.289 120.357 120.570 0.126 0.000 2.179 986 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 986 I C 2.654 178.830 176.117 0.100 0.000 1.088 986 I CA 1.953 63.316 61.300 0.104 0.000 1.357 986 I CB -0.407 37.639 38.000 0.078 0.000 1.051 986 I HN 0.340 nan 8.210 nan 0.000 0.409 987 Q N 1.535 121.386 119.800 0.085 0.000 2.014 987 Q HA -0.267 4.073 4.340 -0.000 0.000 0.207 987 Q C 2.143 178.199 176.000 0.092 0.000 0.993 987 Q CA 2.077 57.926 55.803 0.078 0.000 0.850 987 Q CB -0.088 28.685 28.738 0.058 0.000 0.916 987 Q HN 0.310 nan 8.270 nan 0.000 0.417 988 K N -0.691 119.759 120.400 0.084 0.000 2.103 988 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 988 K C 2.098 178.765 176.600 0.112 0.000 1.048 988 K CA 1.117 57.454 56.287 0.083 0.000 0.930 988 K CB -0.479 32.046 32.500 0.042 0.000 0.716 988 K HN 0.463 nan 8.250 nan 0.000 0.444 989 G N 1.385 110.259 108.800 0.123 0.000 2.421 989 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 989 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 989 G C 1.456 176.464 174.900 0.179 0.000 1.171 989 G CA 0.617 45.816 45.100 0.165 0.000 0.775 989 G HN 0.066 nan 8.290 nan 0.000 0.543 990 M N 1.067 120.757 119.600 0.150 0.000 2.229 990 M HA -0.010 4.469 4.480 -0.000 0.000 0.264 990 M C 2.659 179.066 176.300 0.178 0.000 1.063 990 M CA 1.187 56.581 55.300 0.157 0.000 1.114 990 M CB -1.684 31.059 32.600 0.240 0.000 1.387 990 M HN 0.154 nan 8.290 nan 0.000 0.420 991 T N -0.251 114.405 114.554 0.171 0.000 2.720 991 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 991 T C 1.711 176.499 174.700 0.147 0.000 1.037 991 T CA 1.457 63.648 62.100 0.151 0.000 1.144 991 T CB -0.544 68.400 68.868 0.127 0.000 0.864 991 T HN 0.327 nan 8.240 nan 0.000 0.444 992 Y N 1.854 122.184 120.300 0.049 0.000 2.128 992 Y HA -0.095 4.455 4.550 -0.000 0.000 0.284 992 Y C 2.062 177.980 175.900 0.030 0.000 1.154 992 Y CA 1.087 59.207 58.100 0.033 0.000 1.149 992 Y CB -0.590 37.883 38.460 0.021 0.000 0.976 992 Y HN 0.122 nan 8.280 nan 0.000 0.505 993 L N -1.202 120.035 121.223 0.022 0.000 2.046 993 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 993 L C 2.778 179.602 176.870 -0.076 0.000 1.077 993 L CA 1.676 56.476 54.840 -0.067 0.000 0.747 993 L CB -1.010 41.029 42.059 -0.033 0.000 0.896 993 L HN 0.203 nan 8.230 nan 0.000 0.432 994 S N 0.158 115.826 115.700 -0.054 0.000 2.374 994 S HA -0.188 4.282 4.470 -0.000 0.000 0.227 994 S C 1.805 176.406 174.600 0.001 0.000 1.037 994 S CA 1.685 59.878 58.200 -0.012 0.000 1.024 994 S CB -0.221 63.042 63.200 0.105 0.000 0.861 994 S HN 0.454 nan 8.310 nan 0.000 0.456 995 N N 0.715 119.383 118.700 -0.053 0.000 2.188 995 N HA -0.009 4.731 4.740 -0.000 0.000 0.184 995 N C 1.639 177.072 175.510 -0.127 0.000 1.018 995 N CA 0.855 53.856 53.050 -0.082 0.000 0.858 995 N CB -0.344 38.080 38.487 -0.104 0.000 0.989 995 N HN 0.476 nan 8.380 nan 0.000 0.426 996 Q N -0.332 119.326 119.800 -0.237 0.000 2.424 996 Q HA 0.085 4.425 4.340 -0.000 0.000 0.204 996 Q C 1.553 177.495 176.000 -0.096 0.000 0.933 996 Q CA -0.112 55.548 55.803 -0.238 0.000 0.929 996 Q CB -0.327 28.154 28.738 -0.428 0.000 1.037 996 Q HN 0.355 nan 8.270 nan 0.000 0.511 997 F N 1.487 121.348 119.950 -0.148 0.000 2.120 997 F HA -0.173 4.354 4.527 -0.000 0.000 0.300 997 F C 2.000 177.757 175.800 -0.072 0.000 1.095 997 F CA 1.939 59.876 58.000 -0.105 0.000 1.249 997 F CB -0.398 38.546 39.000 -0.092 0.000 0.995 997 F HN 0.146 nan 8.300 nan 0.000 0.480 998 G N -1.515 107.284 108.800 -0.003 0.000 2.498 998 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.219 998 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.219 998 G C 1.470 176.279 174.900 -0.153 0.000 1.119 998 G CA 0.980 46.036 45.100 -0.072 0.000 0.766 998 G HN 0.450 nan 8.290 nan 0.000 0.552 999 S N -0.185 115.421 115.700 -0.157 0.000 2.523 999 S HA 0.278 4.748 4.470 -0.000 0.000 0.217 999 S C 0.752 175.259 174.600 -0.156 0.000 0.996 999 S CA -0.539 57.583 58.200 -0.130 0.000 0.921 999 S CB 0.375 63.522 63.200 -0.088 0.000 0.829 999 S HN 0.285 nan 8.310 nan 0.000 0.495 1000 I N 3.703 124.129 120.570 -0.239 0.000 2.574 1000 I HA 0.084 4.253 4.170 -0.000 0.000 0.291 1000 I C 0.496 176.496 176.117 -0.196 0.000 1.131 1000 I CA -0.059 61.112 61.300 -0.215 0.000 1.352 1000 I CB 0.040 37.880 38.000 -0.267 0.000 1.431 1000 I HN 0.124 nan 8.210 nan 0.000 0.543 1001 N N 4.033 122.669 118.700 -0.106 0.000 2.184 1001 N HA 0.022 4.762 4.740 -0.000 0.000 0.206 1001 N C 0.108 175.608 175.510 -0.016 0.000 1.151 1001 N CA 0.178 53.187 53.050 -0.068 0.000 0.878 1001 N CB 0.345 38.804 38.487 -0.048 0.000 1.014 1001 N HN 0.541 nan 8.380 nan 0.000 0.512 1002 N N 0.951 119.649 118.700 -0.003 0.000 2.424 1002 N HA 0.239 4.979 4.740 -0.000 0.000 0.271 1002 N C 0.673 176.225 175.510 0.070 0.000 0.985 1002 N CA -0.076 53.005 53.050 0.053 0.000 0.921 1002 N CB 1.889 40.414 38.487 0.063 0.000 1.149 1002 N HN -0.079 nan 8.380 nan 0.000 0.492 1003 A N 4.308 127.205 122.820 0.129 0.000 1.978 1003 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 1003 A C 1.672 179.319 177.584 0.104 0.000 1.170 1003 A CA 1.149 53.275 52.037 0.148 0.000 0.636 1003 A CB -0.755 18.431 19.000 0.311 0.000 0.810 1003 A HN 0.841 nan 8.150 nan 0.000 0.448 1004 Y N 1.410 121.723 120.300 0.021 0.000 2.070 1004 Y HA -0.231 4.319 4.550 -0.000 0.000 0.279 1004 Y C 1.972 177.831 175.900 -0.068 0.000 1.134 1004 Y CA 2.080 60.177 58.100 -0.005 0.000 1.113 1004 Y CB -0.536 37.936 38.460 0.020 0.000 0.981 1004 Y HN 0.385 nan 8.280 nan 0.000 0.487 1005 D N 0.243 120.594 120.400 -0.081 0.000 2.116 1005 D HA -0.227 4.413 4.640 -0.000 0.000 0.193 1005 D C 2.187 178.371 176.300 -0.194 0.000 0.998 1005 D CA 1.709 55.597 54.000 -0.186 0.000 0.836 1005 D CB -0.844 39.918 40.800 -0.063 0.000 0.951 1005 D HN 0.390 nan 8.370 nan 0.000 0.449 1006 L N 0.972 122.123 121.223 -0.121 0.000 2.083 1006 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 1006 L C 2.274 179.070 176.870 -0.123 0.000 1.083 1006 L CA 1.843 56.622 54.840 -0.101 0.000 0.752 1006 L CB -0.851 41.167 42.059 -0.067 0.000 0.899 1006 L HN 0.101 nan 8.230 nan 0.000 0.433 1007 S N -0.760 114.828 115.700 -0.187 0.000 2.368 1007 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 1007 S C 2.031 176.484 174.600 -0.246 0.000 1.030 1007 S CA 1.519 59.590 58.200 -0.215 0.000 0.999 1007 S CB -0.952 62.103 63.200 -0.243 0.000 0.844 1007 S HN 0.523 nan 8.310 nan 0.000 0.459 1008 I N 2.419 122.713 120.570 -0.460 0.000 2.233 1008 I HA -0.045 4.125 4.170 -0.000 0.000 0.243 1008 I C 3.149 179.114 176.117 -0.252 0.000 1.093 1008 I CA 1.042 61.997 61.300 -0.575 0.000 1.380 1008 I CB -0.914 36.642 38.000 -0.741 0.000 1.067 1008 I HN 0.408 nan 8.210 nan 0.000 0.413 1009 A N 0.987 123.695 122.820 -0.186 0.000 1.883 1009 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 1009 A C 2.422 179.980 177.584 -0.044 0.000 1.186 1009 A CA 2.607 54.588 52.037 -0.093 0.000 0.624 1009 A CB -1.228 17.741 19.000 -0.052 0.000 0.822 1009 A HN 0.400 nan 8.150 nan 0.000 0.444 1010 T N -1.386 113.164 114.554 -0.007 0.000 2.665 1010 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 1010 T C 1.846 176.601 174.700 0.093 0.000 1.035 1010 T CA 1.865 63.994 62.100 0.048 0.000 1.151 1010 T CB -0.470 68.436 68.868 0.064 0.000 0.862 1010 T HN 0.558 nan 8.240 nan 0.000 0.438 1011 Y N 2.184 122.454 120.300 -0.050 0.000 2.181 1011 Y HA 0.030 4.580 4.550 -0.000 0.000 0.288 1011 Y C 2.494 178.384 175.900 -0.017 0.000 1.146 1011 Y CA 0.524 58.620 58.100 -0.006 0.000 1.164 1011 Y CB -1.058 37.425 38.460 0.039 0.000 0.982 1011 Y HN 0.184 nan 8.280 nan 0.000 0.515 1012 A N 0.437 123.158 122.820 -0.165 0.000 1.883 1012 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 1012 A C 2.414 179.919 177.584 -0.132 0.000 1.186 1012 A CA 2.241 54.143 52.037 -0.225 0.000 0.624 1012 A CB -0.879 18.028 19.000 -0.154 0.000 0.822 1012 A HN 0.545 nan 8.150 nan 0.000 0.444 1013 M N -1.324 118.234 119.600 -0.071 0.000 2.108 1013 M HA -0.191 4.288 4.480 -0.000 0.000 0.261 1013 M C 2.349 178.658 176.300 0.015 0.000 1.066 1013 M CA 1.429 56.714 55.300 -0.026 0.000 1.107 1013 M CB -0.433 32.130 32.600 -0.063 0.000 1.356 1013 M HN 0.360 nan 8.290 nan 0.000 0.406 1014 M N 0.123 119.737 119.600 0.022 0.000 2.067 1014 M HA -0.167 4.313 4.480 -0.000 0.000 0.260 1014 M C 2.237 178.545 176.300 0.012 0.000 1.069 1014 M CA 1.802 57.134 55.300 0.053 0.000 1.117 1014 M CB -1.316 31.370 32.600 0.144 0.000 1.334 1014 M HN 0.317 nan 8.290 nan 0.000 0.407 1015 L N 0.054 121.229 121.223 -0.080 0.000 2.127 1015 L HA -0.249 4.091 4.340 -0.000 0.000 0.211 1015 L C 2.081 178.923 176.870 -0.048 0.000 1.089 1015 L CA 1.447 56.222 54.840 -0.108 0.000 0.757 1015 L CB -0.748 41.148 42.059 -0.270 0.000 0.899 1015 L HN 0.420 nan 8.230 nan 0.000 0.434 1016 N N -0.126 118.557 118.700 -0.028 0.000 2.392 1016 N HA -0.001 4.739 4.740 -0.000 0.000 0.177 1016 N C 1.074 176.600 175.510 0.026 0.000 1.066 1016 N CA 0.802 53.857 53.050 0.008 0.000 0.895 1016 N CB 0.400 38.910 38.487 0.039 0.000 0.988 1016 N HN 0.210 nan 8.380 nan 0.000 0.457 1017 G N 0.647 109.466 108.800 0.032 0.000 2.246 1017 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.273 1017 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.273 1017 G C -0.410 174.511 174.900 0.035 0.000 1.055 1017 G CA 0.313 45.430 45.100 0.028 0.000 0.851 1017 G HN 0.653 nan 8.290 nan 0.000 0.500 1018 H N 0.673 119.723 119.070 -0.033 0.000 2.732 1018 H HA 0.234 4.790 4.556 -0.000 0.000 0.351 1018 H C 2.169 177.463 175.328 -0.058 0.000 1.090 1018 H CA 1.075 57.097 56.048 -0.043 0.000 1.431 1018 H CB 0.854 30.588 29.762 -0.047 0.000 1.447 1018 H HN 0.337 nan 8.280 nan 0.000 0.582 1019 T N 1.488 115.947 114.554 -0.157 0.000 2.822 1019 T HA -0.192 4.158 4.350 -0.000 0.000 0.270 1019 T C 1.920 176.644 174.700 0.040 0.000 1.064 1019 T CA 1.354 63.420 62.100 -0.056 0.000 1.131 1019 T CB -0.042 68.754 68.868 -0.121 0.000 0.858 1019 T HN 0.589 nan 8.240 nan 0.000 0.483 1020 M N 1.150 120.885 119.600 0.225 0.000 2.561 1020 M HA 0.178 4.658 4.480 -0.000 0.000 0.238 1020 M C 2.127 178.360 176.300 -0.112 0.000 1.131 1020 M CA 0.278 55.543 55.300 -0.059 0.000 1.046 1020 M CB -0.086 32.352 32.600 -0.269 0.000 1.532 1020 M HN 0.448 nan 8.290 nan 0.000 0.497 1021 K N 0.643 121.041 120.400 -0.004 0.000 2.009 1021 K HA -0.214 4.106 4.320 -0.000 0.000 0.210 1021 K C 1.668 178.263 176.600 -0.008 0.000 1.049 1021 K CA 1.640 57.925 56.287 -0.003 0.000 0.929 1021 K CB -0.541 31.977 32.500 0.031 0.000 0.714 1021 K HN 0.325 nan 8.250 nan 0.000 0.440 1022 E N 1.106 121.296 120.200 -0.017 0.000 2.085 1022 E HA -0.265 4.084 4.350 -0.000 0.000 0.194 1022 E C 2.191 178.786 176.600 -0.009 0.000 0.994 1022 E CA 1.499 57.889 56.400 -0.017 0.000 0.801 1022 E CB 0.044 29.730 29.700 -0.024 0.000 0.743 1022 E HN 0.525 nan 8.360 nan 0.000 0.453 1023 E N -0.372 119.803 120.200 -0.042 0.000 2.072 1023 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 1023 E C 1.930 178.589 176.600 0.099 0.000 0.985 1023 E CA 0.915 57.298 56.400 -0.027 0.000 0.801 1023 E CB -0.105 29.489 29.700 -0.176 0.000 0.750 1023 E HN 0.317 nan 8.360 nan 0.000 0.452 1024 A N 0.960 123.819 122.820 0.064 0.000 1.902 1024 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 1024 A C 2.108 179.815 177.584 0.205 0.000 1.181 1024 A CA 1.205 53.424 52.037 0.303 0.000 0.623 1024 A CB -0.599 18.527 19.000 0.209 0.000 0.818 1024 A HN 0.370 nan 8.150 nan 0.000 0.443 1025 L N 0.265 121.559 121.223 0.118 0.000 2.093 1025 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 1025 L C 1.843 178.784 176.870 0.118 0.000 1.085 1025 L CA 1.913 56.817 54.840 0.107 0.000 0.755 1025 L CB -0.801 41.290 42.059 0.053 0.000 0.904 1025 L HN 0.308 nan 8.230 nan 0.000 0.435 1026 N N 0.051 118.806 118.700 0.092 0.000 2.120 1026 N HA -0.227 4.513 4.740 -0.000 0.000 0.188 1026 N C 1.860 177.439 175.510 0.115 0.000 1.024 1026 N CA 1.349 54.449 53.050 0.084 0.000 0.852 1026 N CB -0.171 38.350 38.487 0.058 0.000 1.003 1026 N HN 0.408 nan 8.380 nan 0.000 0.424 1027 K N 0.579 121.066 120.400 0.145 0.000 2.032 1027 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 1027 K C 2.010 178.690 176.600 0.133 0.000 1.048 1027 K CA 0.888 57.248 56.287 0.122 0.000 0.927 1027 K CB -0.226 32.351 32.500 0.128 0.000 0.712 1027 K HN 0.017 nan 8.250 nan 0.000 0.441 1028 L N 1.539 122.867 121.223 0.175 0.000 2.046 1028 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 1028 L C 1.952 179.106 176.870 0.473 0.000 1.077 1028 L CA 1.494 56.486 54.840 0.254 0.000 0.747 1028 L CB -0.274 41.873 42.059 0.147 0.000 0.896 1028 L HN 0.224 nan 8.230 nan 0.000 0.432 1029 I N -0.281 120.520 120.570 0.384 0.000 2.208 1029 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 1029 I C 1.892 178.093 176.117 0.140 0.000 1.097 1029 I CA 1.443 62.969 61.300 0.377 0.000 1.363 1029 I CB -0.555 37.596 38.000 0.252 0.000 1.051 1029 I HN 0.287 nan 8.210 nan 0.000 0.413 1030 D N 0.594 121.043 120.400 0.082 0.000 2.221 1030 D HA -0.179 4.461 4.640 -0.000 0.000 0.204 1030 D C 2.012 178.245 176.300 -0.111 0.000 0.982 1030 D CA 1.348 55.333 54.000 -0.024 0.000 0.857 1030 D CB -0.170 40.625 40.800 -0.007 0.000 0.934 1030 D HN 0.421 nan 8.370 nan 0.000 0.475 1031 M N 0.251 119.829 119.600 -0.036 0.000 2.561 1031 M HA 0.045 4.525 4.480 -0.000 0.000 0.238 1031 M C 0.762 176.767 176.300 -0.491 0.000 1.131 1031 M CA -0.071 55.146 55.300 -0.138 0.000 1.046 1031 M CB 0.137 32.805 32.600 0.114 0.000 1.532 1031 M HN -0.153 nan 8.290 nan 0.000 0.497 1032 S N 0.310 115.614 115.700 -0.660 0.000 2.603 1032 S HA 0.494 4.964 4.470 -0.000 0.000 0.268 1032 S C -0.396 173.521 174.600 -1.139 0.000 1.317 1032 S CA -0.516 56.907 58.200 -1.296 0.000 1.012 1032 S CB 0.650 63.018 63.200 -1.387 0.000 0.926 1032 S HN 0.151 nan 8.310 nan 0.000 0.539 1033 F N -0.028 119.272 119.950 -1.084 0.000 2.557 1033 F HA 0.687 5.214 4.527 -0.000 0.000 0.336 1033 F C 0.361 175.680 175.800 -0.802 0.000 1.058 1033 F CA -1.259 56.191 58.000 -0.916 0.000 0.988 1033 F CB 1.183 39.466 39.000 -1.196 0.000 1.275 1033 F HN 0.390 nan 8.300 nan 0.000 0.488 1034 I N 1.177 121.596 120.570 -0.252 0.000 2.686 1034 I HA 0.211 4.381 4.170 -0.000 0.000 0.295 1034 I C -1.504 174.687 176.117 0.122 0.000 1.114 1034 I CA -0.474 60.785 61.300 -0.068 0.000 1.038 1034 I CB 2.035 39.997 38.000 -0.063 0.000 1.238 1034 I HN 0.508 nan 8.210 nan 0.000 0.420 1035 D N 5.181 125.719 120.400 0.230 0.000 2.454 1035 D HA 0.454 5.094 4.640 -0.000 0.000 0.247 1035 D C 0.550 176.943 176.300 0.155 0.000 1.129 1035 D CA -0.259 53.877 54.000 0.226 0.000 0.877 1035 D CB 1.923 42.902 40.800 0.298 0.000 1.082 1035 D HN 0.627 nan 8.370 nan 0.000 0.537 1036 A N 3.660 126.545 122.820 0.107 0.000 1.930 1036 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 1036 A C 1.595 179.227 177.584 0.080 0.000 1.175 1036 A CA 1.021 53.107 52.037 0.081 0.000 0.627 1036 A CB 0.008 19.042 19.000 0.057 0.000 0.815 1036 A HN 0.496 nan 8.150 nan 0.000 0.443 1037 D N -0.269 120.181 120.400 0.082 0.000 2.263 1037 D HA -0.074 4.566 4.640 -0.000 0.000 0.208 1037 D C 1.401 177.750 176.300 0.083 0.000 0.971 1037 D CA 1.166 55.209 54.000 0.072 0.000 0.867 1037 D CB -0.046 40.793 40.800 0.066 0.000 0.929 1037 D HN 0.532 nan 8.370 nan 0.000 0.492 1038 K N -0.181 120.285 120.400 0.110 0.000 2.374 1038 K HA 0.097 4.417 4.320 -0.000 0.000 0.202 1038 K C -0.209 176.473 176.600 0.137 0.000 1.040 1038 K CA -0.260 56.100 56.287 0.122 0.000 1.085 1038 K CB 0.781 33.366 32.500 0.141 0.000 0.873 1038 K HN -0.169 nan 8.250 nan 0.000 0.539 1039 N N 2.644 121.423 118.700 0.132 0.000 2.738 1039 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 1039 N C -1.229 174.394 175.510 0.189 0.000 1.047 1039 N CA 1.063 54.195 53.050 0.137 0.000 0.707 1039 N CB -1.218 37.336 38.487 0.112 0.000 0.937 1039 N HN 0.461 nan 8.380 nan 0.000 0.545 1040 E N 0.177 120.516 120.200 0.231 0.000 2.199 1040 E HA 0.475 4.825 4.350 -0.000 0.000 0.269 1040 E C 0.066 176.835 176.600 0.282 0.000 0.899 1040 E CA -0.682 55.918 56.400 0.333 0.000 0.772 1040 E CB 2.389 32.364 29.700 0.459 0.000 1.155 1040 E HN 0.174 nan 8.360 nan 0.000 0.408 1041 R N 3.326 123.974 120.500 0.246 0.000 2.621 1041 R HA 0.577 4.917 4.340 -0.000 0.000 0.292 1041 R C -1.495 174.796 176.300 -0.015 0.000 0.969 1041 R CA -0.422 55.684 56.100 0.010 0.000 0.887 1041 R CB 0.760 31.019 30.300 -0.068 0.000 1.180 1041 R HN 0.497 nan 8.270 nan 0.000 0.450 1042 F N 0.169 119.791 119.950 -0.547 0.000 2.817 1042 F HA 0.610 5.137 4.527 -0.000 0.000 0.317 1042 F C -2.028 173.449 175.800 -0.539 0.000 1.168 1042 F CA -1.515 56.103 58.000 -0.637 0.000 0.911 1042 F CB 1.153 39.166 39.000 -1.646 0.000 1.337 1042 F HN 0.294 nan 8.300 nan 0.000 0.464 1043 W N 1.868 123.047 121.300 -0.201 0.000 2.532 1043 W HA 0.318 4.978 4.660 -0.000 0.000 0.321 1043 W C -0.495 176.050 176.519 0.043 0.000 1.037 1043 W CA -0.533 56.803 57.345 -0.016 0.000 1.220 1043 W CB 2.044 31.521 29.460 0.030 0.000 1.361 1043 W HN 0.530 nan 8.180 nan 0.000 0.468 1044 N N 2.751 121.511 118.700 0.099 0.000 3.188 1044 N HA 0.055 4.794 4.740 -0.000 0.000 0.279 1044 N C -0.027 175.532 175.510 0.082 0.000 1.213 1044 N CA 0.287 53.295 53.050 -0.070 0.000 1.138 1044 N CB 0.372 38.437 38.487 -0.703 0.000 1.417 1044 N HN 0.261 nan 8.380 nan 0.000 0.526 1045 T N -2.883 111.769 114.554 0.164 0.000 2.910 1045 T HA 0.205 4.555 4.350 -0.000 0.000 0.279 1045 T C 1.656 176.405 174.700 0.081 0.000 0.989 1045 T CA -0.325 61.852 62.100 0.129 0.000 0.968 1045 T CB 0.815 69.779 68.868 0.159 0.000 1.135 1045 T HN 0.276 nan 8.240 nan 0.000 0.562 1046 T N -1.269 113.305 114.554 0.034 0.000 2.977 1046 T HA -0.047 4.303 4.350 -0.000 0.000 0.271 1046 T C 0.559 175.265 174.700 0.011 0.000 1.105 1046 T CA 0.541 62.652 62.100 0.018 0.000 1.116 1046 T CB -0.680 68.186 68.868 -0.003 0.000 0.878 1046 T HN 0.669 nan 8.240 nan 0.000 0.509 1047 N N 2.275 120.966 118.700 -0.014 0.000 2.886 1047 N HA 0.204 4.944 4.740 -0.000 0.000 0.285 1047 N C -2.304 173.292 175.510 0.145 0.000 1.706 1047 N CA -1.328 51.737 53.050 0.025 0.000 0.904 1047 N CB 1.815 40.245 38.487 -0.096 0.000 1.224 1047 N HN 0.365 nan 8.380 nan 0.000 0.488 1048 P HA -0.056 nan 4.420 nan 0.000 0.221 1048 P C 1.523 179.037 177.300 0.357 0.000 1.150 1048 P CA 0.662 63.933 63.100 0.285 0.000 0.800 1048 P CB 0.623 32.526 31.700 0.338 0.000 0.787 1049 I N 0.242 121.015 120.570 0.338 0.000 2.163 1049 I HA -0.207 3.963 4.170 -0.000 0.000 0.240 1049 I C 2.622 178.773 176.117 0.058 0.000 1.081 1049 I CA 1.502 62.930 61.300 0.213 0.000 1.353 1049 I CB -0.784 37.166 38.000 -0.084 0.000 1.054 1049 I HN -0.061 nan 8.210 nan 0.000 0.407 1050 E N 0.233 120.485 120.200 0.086 0.000 2.033 1050 E HA -0.295 4.055 4.350 -0.000 0.000 0.199 1050 E C 2.229 178.952 176.600 0.205 0.000 1.011 1050 E CA 2.264 58.737 56.400 0.122 0.000 0.815 1050 E CB -0.265 29.660 29.700 0.376 0.000 0.755 1050 E HN 0.496 nan 8.360 nan 0.000 0.451 1051 T N -0.574 114.168 114.554 0.314 0.000 2.777 1051 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 1051 T C 1.993 176.673 174.700 -0.033 0.000 1.040 1051 T CA 1.942 64.176 62.100 0.224 0.000 1.141 1051 T CB -0.373 68.654 68.868 0.264 0.000 0.868 1051 T HN 0.049 nan 8.240 nan 0.000 0.444 1052 T N 1.621 116.208 114.554 0.055 0.000 2.788 1052 T HA 0.117 4.467 4.350 -0.000 0.000 0.268 1052 T C 2.333 176.993 174.700 -0.065 0.000 1.044 1052 T CA 1.252 63.373 62.100 0.035 0.000 1.139 1052 T CB -0.767 68.253 68.868 0.252 0.000 0.867 1052 T HN 0.571 nan 8.240 nan 0.000 0.454 1053 A N 0.321 123.104 122.820 -0.061 0.000 1.898 1053 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 1053 A C 2.030 179.464 177.584 -0.251 0.000 1.181 1053 A CA 1.240 53.175 52.037 -0.170 0.000 0.620 1053 A CB -1.047 17.785 19.000 -0.280 0.000 0.819 1053 A HN 0.592 nan 8.150 nan 0.000 0.442 1054 Y N -0.079 120.100 120.300 -0.203 0.000 2.181 1054 Y HA -0.181 4.369 4.550 -0.000 0.000 0.288 1054 Y C 2.958 178.661 175.900 -0.328 0.000 1.146 1054 Y CA 1.010 58.944 58.100 -0.276 0.000 1.164 1054 Y CB -0.272 38.074 38.460 -0.189 0.000 0.982 1054 Y HN 0.361 nan 8.280 nan 0.000 0.515 1055 A N -0.153 122.507 122.820 -0.268 0.000 1.908 1055 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 1055 A C 2.121 179.573 177.584 -0.221 0.000 1.181 1055 A CA 1.782 53.571 52.037 -0.413 0.000 0.627 1055 A CB -1.047 17.219 19.000 -1.223 0.000 0.818 1055 A HN 0.445 nan 8.150 nan 0.000 0.445 1056 L N -0.318 120.753 121.223 -0.253 0.000 2.083 1056 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 1056 L C 2.286 179.148 176.870 -0.013 0.000 1.083 1056 L CA 1.587 56.344 54.840 -0.138 0.000 0.752 1056 L CB -0.553 41.461 42.059 -0.075 0.000 0.899 1056 L HN 0.413 nan 8.230 nan 0.000 0.433 1057 L N -1.332 119.801 121.223 -0.149 0.000 2.012 1057 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 1057 L C 2.502 179.353 176.870 -0.032 0.000 1.073 1057 L CA 1.593 56.298 54.840 -0.225 0.000 0.748 1057 L CB -0.737 40.846 42.059 -0.794 0.000 0.891 1057 L HN 0.210 nan 8.230 nan 0.000 0.431 1058 S N -0.735 114.983 115.700 0.030 0.000 2.368 1058 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 1058 S C 1.807 176.548 174.600 0.234 0.000 1.030 1058 S CA 1.153 59.468 58.200 0.193 0.000 0.999 1058 S CB -0.364 62.954 63.200 0.196 0.000 0.844 1058 S HN 0.189 nan 8.310 nan 0.000 0.459 1059 F N 1.745 121.708 119.950 0.022 0.000 2.091 1059 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 1059 F C 2.433 178.235 175.800 0.004 0.000 1.103 1059 F CA 0.705 58.724 58.000 0.032 0.000 1.228 1059 F CB -1.156 37.894 39.000 0.083 0.000 0.984 1059 F HN 0.001 nan 8.300 nan 0.000 0.477 1060 V N -0.436 119.637 119.914 0.264 0.000 2.295 1060 V HA -0.352 3.768 4.120 -0.000 0.000 0.246 1060 V C 2.349 178.537 176.094 0.157 0.000 1.049 1060 V CA 2.101 64.546 62.300 0.241 0.000 1.024 1060 V CB -0.672 31.299 31.823 0.246 0.000 0.648 1060 V HN 0.326 nan 8.190 nan 0.000 0.447 1061 M N 0.263 119.955 119.600 0.154 0.000 2.279 1061 M HA -0.049 4.430 4.480 -0.000 0.000 0.264 1061 M C 1.687 178.022 176.300 0.058 0.000 1.062 1061 M CA 1.883 57.266 55.300 0.139 0.000 1.099 1061 M CB -0.265 32.453 32.600 0.196 0.000 1.394 1061 M HN 0.288 nan 8.290 nan 0.000 0.426 1062 A N -1.028 121.791 122.820 -0.001 0.000 2.345 1062 A HA 0.165 4.485 4.320 -0.000 0.000 0.225 1062 A C 0.583 178.050 177.584 -0.195 0.000 1.243 1062 A CA 0.205 52.195 52.037 -0.079 0.000 0.875 1062 A CB -0.531 18.408 19.000 -0.101 0.000 0.929 1062 A HN 0.638 nan 8.150 nan 0.000 0.502 1063 E N -0.970 119.044 120.200 -0.309 0.000 2.791 1063 E HA -0.211 4.139 4.350 -0.000 0.000 0.271 1063 E C -0.382 175.658 176.600 -0.933 0.000 1.044 1063 E CA 0.842 56.750 56.400 -0.820 0.000 0.814 1063 E CB -1.535 27.933 29.700 -0.386 0.000 1.400 1063 E HN 0.657 nan 8.360 nan 0.000 0.423 1064 K N 0.390 120.464 120.400 -0.542 0.000 2.751 1064 K HA 0.139 4.459 4.320 -0.000 0.000 0.252 1064 K C 0.423 176.990 176.600 -0.054 0.000 1.277 1064 K CA -0.094 56.014 56.287 -0.298 0.000 1.226 1064 K CB -0.068 32.201 32.500 -0.386 0.000 1.658 1064 K HN 0.273 nan 8.250 nan 0.000 0.303 1065 Y N -0.975 119.419 120.300 0.157 0.000 2.200 1065 Y HA -0.266 4.284 4.550 -0.000 0.000 0.290 1065 Y C 2.795 178.826 175.900 0.219 0.000 1.137 1065 Y CA 1.027 59.242 58.100 0.192 0.000 1.163 1065 Y CB -0.023 38.528 38.460 0.152 0.000 0.988 1065 Y HN 0.381 nan 8.280 nan 0.000 0.518 1066 T N -0.822 113.916 114.554 0.306 0.000 2.812 1066 T HA -0.156 4.194 4.350 -0.000 0.000 0.264 1066 T C 1.454 176.313 174.700 0.266 0.000 1.042 1066 T CA 1.740 63.996 62.100 0.259 0.000 1.140 1066 T CB -0.359 68.624 68.868 0.192 0.000 0.870 1066 T HN 0.223 nan 8.240 nan 0.000 0.445 1067 D N 0.280 120.840 120.400 0.267 0.000 2.348 1067 D HA 0.099 4.738 4.640 -0.000 0.000 0.216 1067 D C 2.069 178.685 176.300 0.526 0.000 0.970 1067 D CA 0.775 54.984 54.000 0.348 0.000 0.889 1067 D CB -0.456 40.523 40.800 0.299 0.000 0.912 1067 D HN 0.583 nan 8.370 nan 0.000 0.524 1068 G N 1.383 110.505 108.800 0.537 0.000 2.464 1068 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.217 1068 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.217 1068 G C 1.744 176.850 174.900 0.344 0.000 1.138 1068 G CA 0.318 45.700 45.100 0.468 0.000 0.793 1068 G HN 0.423 nan 8.290 nan 0.000 0.539 1069 I N -0.002 120.790 120.570 0.370 0.000 2.226 1069 I HA -0.024 4.145 4.170 -0.000 0.000 0.245 1069 I C -0.498 175.840 176.117 0.369 0.000 1.100 1069 I CA 0.839 62.390 61.300 0.418 0.000 1.374 1069 I CB -1.083 37.178 38.000 0.434 0.000 1.057 1069 I HN 0.012 nan 8.210 nan 0.000 0.413 1070 P HA -0.110 nan 4.420 nan 0.000 0.218 1070 P C 2.119 179.599 177.300 0.300 0.000 1.148 1070 P CA 1.320 64.578 63.100 0.262 0.000 0.822 1070 P CB -0.062 31.761 31.700 0.206 0.000 0.784 1071 V N -0.905 119.164 119.914 0.259 0.000 2.307 1071 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 1071 V C 2.482 178.793 176.094 0.361 0.000 1.045 1071 V CA 1.820 64.278 62.300 0.263 0.000 1.024 1071 V CB -1.054 30.803 31.823 0.057 0.000 0.651 1071 V HN 0.113 nan 8.190 nan 0.000 0.449 1072 M N 0.312 120.112 119.600 0.333 0.000 2.086 1072 M HA -0.198 4.281 4.480 -0.000 0.000 0.261 1072 M C 2.200 178.774 176.300 0.456 0.000 1.067 1072 M CA 1.875 57.378 55.300 0.338 0.000 1.116 1072 M CB -0.375 32.373 32.600 0.247 0.000 1.348 1072 M HN 0.356 nan 8.290 nan 0.000 0.407 1073 N N -0.076 118.950 118.700 0.543 0.000 2.069 1073 N HA -0.266 4.473 4.740 -0.000 0.000 0.196 1073 N C 1.104 176.823 175.510 0.348 0.000 1.024 1073 N CA 1.947 55.248 53.050 0.419 0.000 0.869 1073 N CB -0.753 37.911 38.487 0.295 0.000 1.035 1073 N HN 0.632 nan 8.380 nan 0.000 0.434 1074 W N 1.356 122.781 121.300 0.208 0.000 2.380 1074 W HA 0.040 4.700 4.660 -0.000 0.000 0.317 1074 W C 2.159 178.778 176.519 0.166 0.000 1.196 1074 W CA 0.927 58.364 57.345 0.153 0.000 1.307 1074 W CB -0.612 28.958 29.460 0.183 0.000 1.157 1074 W HN -0.010 nan 8.180 nan 0.000 0.483 1075 L N -0.337 121.155 121.223 0.448 0.000 1.970 1075 L HA -0.302 4.038 4.340 -0.000 0.000 0.212 1075 L C 2.420 179.405 176.870 0.191 0.000 1.071 1075 L CA 1.614 56.654 54.840 0.333 0.000 0.751 1075 L CB -1.558 40.764 42.059 0.438 0.000 0.889 1075 L HN -0.154 nan 8.230 nan 0.000 0.432 1076 V N 0.346 120.352 119.914 0.153 0.000 2.428 1076 V HA -0.357 3.763 4.120 -0.000 0.000 0.255 1076 V C 2.033 178.074 176.094 -0.089 0.000 1.080 1076 V CA 2.313 64.629 62.300 0.025 0.000 1.083 1076 V CB -0.610 31.284 31.823 0.119 0.000 0.665 1076 V HN 0.537 nan 8.190 nan 0.000 0.461 1077 N N -0.765 117.871 118.700 -0.108 0.000 2.398 1077 N HA -0.039 4.701 4.740 -0.000 0.000 0.188 1077 N C 1.422 176.763 175.510 -0.281 0.000 1.122 1077 N CA 0.284 53.227 53.050 -0.180 0.000 0.866 1077 N CB 0.158 38.555 38.487 -0.151 0.000 0.970 1077 N HN 0.422 nan 8.380 nan 0.000 0.462 1078 Q N -0.274 119.336 119.800 -0.316 0.000 2.280 1078 Q HA 0.175 4.515 4.340 -0.000 0.000 0.201 1078 Q C -0.089 175.822 176.000 -0.150 0.000 0.890 1078 Q CA -0.012 55.640 55.803 -0.251 0.000 0.947 1078 Q CB 0.435 28.969 28.738 -0.340 0.000 1.081 1078 Q HN 0.253 nan 8.270 nan 0.000 0.502 1079 R N 0.383 120.657 120.500 -0.376 0.000 2.643 1079 R HA 0.087 4.427 4.340 -0.000 0.000 0.270 1079 R C -0.364 175.788 176.300 -0.247 0.000 1.061 1079 R CA -0.199 55.545 56.100 -0.592 0.000 1.107 1079 R CB 0.352 30.289 30.300 -0.604 0.000 0.999 1079 R HN 0.025 nan 8.270 nan 0.000 0.460 1080 Y N 1.876 121.987 120.300 -0.315 0.000 2.314 1080 Y HA -0.024 4.526 4.550 -0.000 0.000 0.334 1080 Y C 1.352 177.143 175.900 -0.182 0.000 1.266 1080 Y CA 0.068 58.059 58.100 -0.182 0.000 1.391 1080 Y CB 0.939 39.327 38.460 -0.121 0.000 1.306 1080 Y HN 0.380 nan 8.280 nan 0.000 0.558 1081 V N 3.149 122.555 119.914 -0.847 0.000 2.527 1081 V HA -0.317 3.803 4.120 -0.000 0.000 0.255 1081 V C 1.776 177.635 176.094 -0.392 0.000 1.081 1081 V CA 3.194 65.120 62.300 -0.623 0.000 1.092 1081 V CB -0.953 30.453 31.823 -0.695 0.000 0.673 1081 V HN 1.049 nan 8.190 nan 0.000 0.470 1082 T N -3.495 110.899 114.554 -0.266 0.000 3.113 1082 T HA 0.314 4.664 4.350 -0.000 0.000 0.256 1082 T C 1.571 176.234 174.700 -0.062 0.000 1.131 1082 T CA 1.063 63.126 62.100 -0.062 0.000 1.074 1082 T CB 0.496 69.442 68.868 0.130 0.000 0.944 1082 T HN 1.248 nan 8.240 nan 0.000 0.516 1083 G N 1.240 109.974 108.800 -0.111 0.000 2.254 1083 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.225 1083 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.225 1083 G C 0.533 175.336 174.900 -0.161 0.000 1.003 1083 G CA 0.306 45.317 45.100 -0.147 0.000 0.622 1083 G HN 1.174 nan 8.290 nan 0.000 0.507 1084 S N -0.087 115.583 115.700 -0.050 0.000 2.625 1084 S HA 0.781 5.251 4.470 -0.000 0.000 0.262 1084 S C 0.180 174.685 174.600 -0.157 0.000 1.223 1084 S CA -0.418 57.770 58.200 -0.020 0.000 0.993 1084 S CB 0.869 64.118 63.200 0.083 0.000 1.051 1084 S HN 0.434 nan 8.310 nan 0.000 0.562 1085 F N 0.339 120.288 119.950 -0.002 0.000 2.440 1085 F HA 0.469 4.996 4.527 -0.000 0.000 0.328 1085 F C -1.597 174.151 175.800 -0.087 0.000 1.070 1085 F CA -2.227 55.761 58.000 -0.021 0.000 1.011 1085 F CB 1.005 39.976 39.000 -0.048 0.000 1.226 1085 F HN 0.343 nan 8.300 nan 0.000 0.491 1086 P HA -0.094 nan 4.420 nan 0.000 0.223 1086 P C 0.009 177.157 177.300 -0.252 0.000 1.144 1086 P CA 1.158 64.138 63.100 -0.198 0.000 0.783 1086 P CB 0.277 31.929 31.700 -0.080 0.000 0.771 1087 S N -3.071 112.554 115.700 -0.126 0.000 2.811 1087 S HA 0.401 4.871 4.470 -0.000 0.000 0.311 1087 S C 1.286 175.814 174.600 -0.120 0.000 1.152 1087 S CA 0.035 58.143 58.200 -0.152 0.000 0.864 1087 S CB 0.413 63.536 63.200 -0.130 0.000 1.226 1087 S HN 0.050 nan 8.310 nan 0.000 0.541 1088 T N 0.309 114.833 114.554 -0.051 0.000 2.684 1088 T HA 0.003 4.352 4.350 -0.000 0.000 0.253 1088 T C 1.539 175.789 174.700 -0.750 0.000 1.057 1088 T CA 0.662 62.592 62.100 -0.283 0.000 1.162 1088 T CB -0.791 68.180 68.868 0.173 0.000 0.868 1088 T HN 0.493 nan 8.240 nan 0.000 0.409 1089 Q N 1.233 120.964 119.800 -0.116 0.000 2.124 1089 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 1089 Q C 2.158 178.102 176.000 -0.093 0.000 0.977 1089 Q CA 1.456 57.258 55.803 -0.002 0.000 0.850 1089 Q CB -0.660 28.250 28.738 0.285 0.000 0.901 1089 Q HN 0.589 nan 8.270 nan 0.000 0.429 1090 D N -0.040 120.315 120.400 -0.074 0.000 2.149 1090 D HA -0.135 4.505 4.640 -0.000 0.000 0.194 1090 D C 1.791 177.955 176.300 -0.227 0.000 1.001 1090 D CA 1.674 55.573 54.000 -0.168 0.000 0.849 1090 D CB -0.236 40.512 40.800 -0.086 0.000 0.939 1090 D HN 0.229 nan 8.370 nan 0.000 0.449 1091 T N 0.153 114.602 114.554 -0.175 0.000 2.770 1091 T HA -0.058 4.292 4.350 -0.000 0.000 0.263 1091 T C 1.954 176.686 174.700 0.053 0.000 1.039 1091 T CA 0.686 62.781 62.100 -0.009 0.000 1.142 1091 T CB -0.425 68.389 68.868 -0.091 0.000 0.868 1091 T HN 0.197 nan 8.240 nan 0.000 0.435 1092 F N 1.013 121.041 119.950 0.129 0.000 2.102 1092 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 1092 F C 2.578 178.391 175.800 0.022 0.000 1.105 1092 F CA 0.373 58.445 58.000 0.120 0.000 1.239 1092 F CB -0.749 38.350 39.000 0.166 0.000 0.991 1092 F HN -0.035 nan 8.300 nan 0.000 0.474 1093 V N 0.305 120.254 119.914 0.059 0.000 2.323 1093 V HA -0.146 3.974 4.120 -0.000 0.000 0.244 1093 V C 2.680 178.661 176.094 -0.188 0.000 1.041 1093 V CA 1.794 63.972 62.300 -0.202 0.000 1.025 1093 V CB -1.556 29.922 31.823 -0.576 0.000 0.656 1093 V HN 0.469 nan 8.190 nan 0.000 0.451 1094 G N 0.274 108.944 108.800 -0.218 0.000 2.514 1094 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 1094 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 1094 G C 1.609 176.591 174.900 0.137 0.000 1.198 1094 G CA 1.171 46.133 45.100 -0.229 0.000 0.780 1094 G HN 0.437 nan 8.290 nan 0.000 0.565 1095 L N 0.057 121.415 121.223 0.224 0.000 2.083 1095 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 1095 L C 2.881 179.805 176.870 0.090 0.000 1.083 1095 L CA 1.365 56.310 54.840 0.175 0.000 0.752 1095 L CB -0.363 41.793 42.059 0.163 0.000 0.899 1095 L HN 0.237 nan 8.230 nan 0.000 0.433 1096 K N 0.312 120.760 120.400 0.081 0.000 2.032 1096 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 1096 K C 2.128 178.742 176.600 0.023 0.000 1.048 1096 K CA 1.618 57.941 56.287 0.061 0.000 0.927 1096 K CB -0.081 32.455 32.500 0.061 0.000 0.712 1096 K HN 0.289 nan 8.250 nan 0.000 0.441 1097 A N 1.199 124.006 122.820 -0.022 0.000 1.898 1097 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 1097 A C 2.140 179.733 177.584 0.015 0.000 1.181 1097 A CA 1.132 53.147 52.037 -0.036 0.000 0.620 1097 A CB -0.540 18.406 19.000 -0.091 0.000 0.819 1097 A HN 0.291 nan 8.150 nan 0.000 0.442 1098 L N -1.138 120.108 121.223 0.038 0.000 2.046 1098 L HA -0.152 4.187 4.340 -0.000 0.000 0.208 1098 L C 2.813 179.660 176.870 -0.038 0.000 1.077 1098 L CA 1.787 56.637 54.840 0.016 0.000 0.747 1098 L CB -0.764 41.323 42.059 0.046 0.000 0.896 1098 L HN 0.349 nan 8.230 nan 0.000 0.432 1099 T N -0.760 113.777 114.554 -0.028 0.000 2.777 1099 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 1099 T C 1.986 176.724 174.700 0.062 0.000 1.040 1099 T CA 0.994 63.071 62.100 -0.038 0.000 1.141 1099 T CB 0.082 68.930 68.868 -0.034 0.000 0.868 1099 T HN 0.137 nan 8.240 nan 0.000 0.444 1100 K N 0.784 121.225 120.400 0.069 0.000 2.057 1100 K HA 0.023 4.343 4.320 -0.000 0.000 0.206 1100 K C 2.218 178.863 176.600 0.076 0.000 1.050 1100 K CA 1.022 57.363 56.287 0.091 0.000 0.935 1100 K CB -0.540 32.017 32.500 0.094 0.000 0.715 1100 K HN 0.315 nan 8.250 nan 0.000 0.439 1101 M N 1.193 120.829 119.600 0.060 0.000 2.117 1101 M HA -0.077 4.403 4.480 -0.000 0.000 0.262 1101 M C 2.019 178.301 176.300 -0.030 0.000 1.065 1101 M CA 1.687 57.027 55.300 0.067 0.000 1.114 1101 M CB -0.508 32.139 32.600 0.079 0.000 1.361 1101 M HN 0.113 nan 8.290 nan 0.000 0.408 1102 A N -0.073 122.684 122.820 -0.104 0.000 1.873 1102 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 1102 A C 2.006 179.488 177.584 -0.170 0.000 1.193 1102 A CA 2.284 54.172 52.037 -0.248 0.000 0.629 1102 A CB -1.140 17.644 19.000 -0.360 0.000 0.826 1102 A HN 0.680 nan 8.150 nan 0.000 0.447 1103 E N -0.344 119.836 120.200 -0.034 0.000 2.130 1103 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 1103 E C 1.918 178.460 176.600 -0.097 0.000 0.998 1103 E CA 1.501 57.880 56.400 -0.036 0.000 0.806 1103 E CB -0.052 29.648 29.700 0.000 0.000 0.738 1103 E HN 0.459 nan 8.360 nan 0.000 0.459 1104 K N 0.119 120.444 120.400 -0.126 0.000 2.262 1104 K HA 0.036 4.356 4.320 -0.000 0.000 0.200 1104 K C 2.178 178.585 176.600 -0.321 0.000 1.049 1104 K CA 0.692 56.827 56.287 -0.254 0.000 0.979 1104 K CB 0.362 32.643 32.500 -0.365 0.000 0.773 1104 K HN 0.347 nan 8.250 nan 0.000 0.474 1105 I N -1.546 118.901 120.570 -0.205 0.000 3.854 1105 I HA 0.065 4.235 4.170 -0.000 0.000 0.312 1105 I C 0.331 176.445 176.117 -0.005 0.000 1.273 1105 I CA -0.331 60.909 61.300 -0.100 0.000 1.298 1105 I CB 0.232 38.250 38.000 0.030 0.000 1.071 1105 I HN -0.233 nan 8.210 nan 0.000 0.428 1106 S N 2.428 118.090 115.700 -0.063 0.000 2.562 1106 S HA 0.524 4.994 4.470 -0.000 0.000 0.275 1106 S C -2.247 172.369 174.600 0.027 0.000 1.281 1106 S CA -1.194 56.999 58.200 -0.011 0.000 1.045 1106 S CB 0.108 63.165 63.200 -0.238 0.000 0.962 1106 S HN 0.043 nan 8.310 nan 0.000 0.503 1107 P HA 0.197 nan 4.420 nan 0.000 0.270 1107 P C 0.645 177.984 177.300 0.065 0.000 1.227 1107 P CA -0.269 62.890 63.100 0.098 0.000 0.788 1107 P CB 0.302 32.093 31.700 0.152 0.000 0.926 1108 S N 0.026 115.760 115.700 0.055 0.000 2.383 1108 S HA -0.106 4.364 4.470 -0.000 0.000 0.229 1108 S C 0.719 175.351 174.600 0.053 0.000 1.030 1108 S CA 1.376 59.600 58.200 0.039 0.000 1.002 1108 S CB -0.228 62.994 63.200 0.037 0.000 0.829 1108 S HN 0.403 nan 8.310 nan 0.000 0.467 1109 R N 0.945 121.492 120.500 0.079 0.000 2.686 1109 R HA 0.386 4.726 4.340 -0.000 0.000 0.283 1109 R C -1.496 174.882 176.300 0.129 0.000 0.978 1109 R CA -0.672 55.480 56.100 0.086 0.000 0.897 1109 R CB 1.115 31.459 30.300 0.073 0.000 1.192 1109 R HN 0.117 nan 8.270 nan 0.000 0.457 1110 N N 1.661 120.438 118.700 0.128 0.000 2.419 1110 N HA 0.174 4.914 4.740 -0.000 0.000 0.277 1110 N C -1.300 174.246 175.510 0.060 0.000 1.006 1110 N CA -0.253 52.902 53.050 0.175 0.000 0.923 1110 N CB 1.652 40.235 38.487 0.160 0.000 1.140 1110 N HN 0.547 nan 8.380 nan 0.000 0.488 1111 D N 1.889 122.362 120.400 0.121 0.000 2.411 1111 D HA 0.199 4.838 4.640 -0.000 0.000 0.239 1111 D C -1.577 174.824 176.300 0.168 0.000 1.307 1111 D CA -0.407 53.628 54.000 0.059 0.000 0.930 1111 D CB -0.006 40.847 40.800 0.090 0.000 1.395 1111 D HN 0.480 nan 8.370 nan 0.000 0.536 1112 Y N -1.219 119.146 120.300 0.110 0.000 2.625 1112 Y HA 0.790 5.340 4.550 -0.000 0.000 0.338 1112 Y C -1.039 174.920 175.900 0.099 0.000 1.123 1112 Y CA -1.148 57.023 58.100 0.119 0.000 1.046 1112 Y CB 1.228 39.781 38.460 0.154 0.000 1.299 1112 Y HN -0.035 nan 8.280 nan 0.000 0.464 1113 T N 1.772 116.528 114.554 0.338 0.000 2.829 1113 T HA 0.629 4.978 4.350 -0.000 0.000 0.280 1113 T C -1.162 173.698 174.700 0.266 0.000 0.999 1113 T CA -0.763 61.487 62.100 0.249 0.000 0.983 1113 T CB 1.698 70.683 68.868 0.194 0.000 0.968 1113 T HN 0.588 nan 8.240 nan 0.000 0.446 1114 V N 3.223 123.301 119.914 0.274 0.000 2.444 1114 V HA 0.441 4.561 4.120 -0.000 0.000 0.294 1114 V C -0.194 176.011 176.094 0.185 0.000 1.022 1114 V CA -0.766 61.671 62.300 0.228 0.000 0.850 1114 V CB 1.607 33.609 31.823 0.299 0.000 0.992 1114 V HN 0.872 nan 8.190 nan 0.000 0.426 1115 Q N 4.020 123.841 119.800 0.036 0.000 2.325 1115 Q HA 0.557 4.897 4.340 -0.000 0.000 0.262 1115 Q C -1.449 174.433 176.000 -0.197 0.000 0.968 1115 Q CA -0.812 54.878 55.803 -0.189 0.000 0.877 1115 Q CB 1.833 30.452 28.738 -0.198 0.000 1.253 1115 Q HN 0.682 nan 8.270 nan 0.000 0.448 1116 L N 4.838 125.903 121.223 -0.264 0.000 2.264 1116 L HA 0.429 4.769 4.340 -0.000 0.000 0.287 1116 L C -1.096 175.659 176.870 -0.192 0.000 1.039 1116 L CA 0.123 54.820 54.840 -0.237 0.000 0.829 1116 L CB 0.936 42.847 42.059 -0.246 0.000 1.211 1116 L HN 0.483 nan 8.230 nan 0.000 0.427 1117 K N 5.133 125.447 120.400 -0.144 0.000 2.235 1117 K HA 0.492 4.811 4.320 -0.000 0.000 0.266 1117 K C -1.793 174.796 176.600 -0.018 0.000 0.980 1117 K CA -0.651 55.542 56.287 -0.157 0.000 0.849 1117 K CB 0.969 33.385 32.500 -0.140 0.000 1.098 1117 K HN 0.646 nan 8.250 nan 0.000 0.445 1118 Y N 1.201 121.437 120.300 -0.106 0.000 2.544 1118 Y HA 0.306 4.855 4.550 -0.000 0.000 0.342 1118 Y C 0.532 176.401 175.900 -0.052 0.000 1.062 1118 Y CA -1.267 56.789 58.100 -0.073 0.000 1.023 1118 Y CB 1.319 39.736 38.460 -0.072 0.000 1.308 1118 Y HN 0.795 nan 8.280 nan 0.000 0.457 1119 K N 1.006 121.462 120.400 0.093 0.000 8.933 1119 K HA -0.398 3.922 4.320 -0.000 0.000 0.433 1119 K C 0.647 177.211 176.600 -0.061 0.000 0.526 1119 K CA 3.100 59.407 56.287 0.034 0.000 1.517 1119 K CB -1.008 31.555 32.500 0.105 0.000 0.800 1119 K HN 0.970 nan 8.250 nan 0.000 1.082 1120 K N -0.550 119.772 120.400 -0.130 0.000 2.491 1120 K HA 0.212 4.532 4.320 -0.000 0.000 0.211 1120 K C -0.006 176.458 176.600 -0.227 0.000 1.210 1120 K CA -0.069 56.135 56.287 -0.139 0.000 1.003 1120 K CB 1.173 33.625 32.500 -0.081 0.000 1.009 1120 K HN 0.128 nan 8.250 nan 0.000 0.577 1121 S N 0.280 115.721 115.700 -0.431 0.000 2.758 1121 S HA 0.709 5.179 4.470 -0.000 0.000 0.292 1121 S C -0.845 173.426 174.600 -0.548 0.000 1.131 1121 S CA -0.696 57.203 58.200 -0.502 0.000 0.997 1121 S CB 1.757 64.585 63.200 -0.620 0.000 1.111 1121 S HN 0.251 nan 8.310 nan 0.000 0.552 1122 A N 1.730 124.300 122.820 -0.417 0.000 2.466 1122 A HA 0.617 4.936 4.320 -0.000 0.000 0.284 1122 A C -1.197 176.143 177.584 -0.407 0.000 1.049 1122 A CA -0.780 51.004 52.037 -0.422 0.000 0.760 1122 A CB 0.943 19.727 19.000 -0.359 0.000 1.274 1122 A HN 0.441 nan 8.150 nan 0.000 0.412 1123 K N 1.562 121.707 120.400 -0.425 0.000 2.182 1123 K HA 0.564 4.884 4.320 -0.000 0.000 0.262 1123 K C -1.585 174.587 176.600 -0.715 0.000 0.957 1123 K CA -0.148 55.888 56.287 -0.419 0.000 0.842 1123 K CB 1.533 33.908 32.500 -0.209 0.000 1.099 1123 K HN 0.665 nan 8.250 nan 0.000 0.438 1124 Y N 1.632 121.599 120.300 -0.555 0.000 2.393 1124 Y HA 0.459 5.008 4.550 -0.000 0.000 0.341 1124 Y C -0.341 175.130 175.900 -0.715 0.000 0.988 1124 Y CA -0.708 57.123 58.100 -0.448 0.000 1.078 1124 Y CB 1.348 39.679 38.460 -0.216 0.000 1.203 1124 Y HN 0.359 nan 8.280 nan 0.000 0.453 1125 F N 1.538 121.565 119.950 0.128 0.000 2.556 1125 F HA 0.606 5.133 4.527 -0.000 0.000 0.314 1125 F C -0.595 175.154 175.800 -0.085 0.000 1.106 1125 F CA -1.164 56.807 58.000 -0.049 0.000 0.911 1125 F CB 2.071 40.968 39.000 -0.172 0.000 1.190 1125 F HN 0.147 nan 8.300 nan 0.000 0.448 1126 K N 3.520 123.913 120.400 -0.011 0.000 2.426 1126 K HA 0.689 5.009 4.320 -0.000 0.000 0.254 1126 K C -1.451 175.026 176.600 -0.205 0.000 0.936 1126 K CA -0.523 55.728 56.287 -0.059 0.000 0.801 1126 K CB 2.613 35.116 32.500 0.006 0.000 1.139 1126 K HN 0.527 nan 8.250 nan 0.000 0.424 1127 I N 3.350 123.704 120.570 -0.360 0.000 2.410 1127 I HA 0.182 4.351 4.170 -0.000 0.000 0.286 1127 I C 0.534 176.421 176.117 -0.383 0.000 1.009 1127 I CA -0.126 60.911 61.300 -0.438 0.000 1.111 1127 I CB 1.159 38.741 38.000 -0.696 0.000 1.262 1127 I HN 0.731 nan 8.210 nan 0.000 0.443 1128 N N 2.963 121.570 118.700 -0.155 0.000 2.145 1128 N HA 0.062 4.802 4.740 -0.000 0.000 0.219 1128 N C -0.066 175.432 175.510 -0.021 0.000 1.266 1128 N CA -0.331 52.676 53.050 -0.073 0.000 0.902 1128 N CB 0.670 39.144 38.487 -0.021 0.000 1.078 1128 N HN 0.476 nan 8.380 nan 0.000 0.513 1129 S N 0.207 115.901 115.700 -0.010 0.000 2.654 1129 S HA 0.214 4.683 4.470 -0.000 0.000 0.283 1129 S C 0.737 175.354 174.600 0.029 0.000 1.180 1129 S CA -0.710 57.502 58.200 0.019 0.000 1.021 1129 S CB 2.686 65.906 63.200 0.034 0.000 1.018 1129 S HN 0.257 nan 8.310 nan 0.000 0.532 1130 E N 0.313 120.537 120.200 0.040 0.000 2.216 1130 E HA -0.025 4.325 4.350 -0.000 0.000 0.192 1130 E C 0.915 177.547 176.600 0.052 0.000 0.973 1130 E CA 0.217 56.649 56.400 0.053 0.000 0.851 1130 E CB -0.020 29.706 29.700 0.044 0.000 0.804 1130 E HN 0.779 nan 8.360 nan 0.000 0.477 1131 Q N 1.523 121.348 119.800 0.042 0.000 2.291 1131 Q HA 0.146 4.486 4.340 -0.000 0.000 0.211 1131 Q C 0.340 176.370 176.000 0.050 0.000 0.925 1131 Q CA -0.060 55.767 55.803 0.041 0.000 0.949 1131 Q CB -0.139 28.616 28.738 0.028 0.000 1.015 1131 Q HN 0.435 nan 8.270 nan 0.000 0.477 1132 I N -2.497 118.111 120.570 0.062 0.000 2.634 1132 I HA 0.117 4.287 4.170 -0.000 0.000 0.284 1132 I C 0.503 176.666 176.117 0.076 0.000 1.124 1132 I CA 0.259 61.605 61.300 0.076 0.000 1.417 1132 I CB 0.607 38.669 38.000 0.104 0.000 1.396 1132 I HN -0.024 nan 8.210 nan 0.000 0.571 1133 D N 2.573 123.010 120.400 0.062 0.000 1.874 1133 D HA -0.039 4.601 4.640 -0.000 0.000 0.411 1133 D C 0.251 176.566 176.300 0.025 0.000 1.282 1133 D CA 0.240 54.272 54.000 0.053 0.000 1.161 1133 D CB 0.548 41.385 40.800 0.062 0.000 2.504 1133 D HN 0.359 nan 8.370 nan 0.000 0.334 1134 V N 3.360 123.283 119.914 0.014 0.000 1.956 1134 V HA 0.286 4.406 4.120 -0.000 0.000 0.248 1134 V C -0.211 175.847 176.094 -0.060 0.000 1.615 1134 V CA 0.643 62.932 62.300 -0.019 0.000 1.558 1134 V CB -0.245 31.561 31.823 -0.027 0.000 1.529 1134 V HN 0.070 nan 8.190 nan 0.000 0.505 1135 E N 1.910 122.067 120.200 -0.072 0.000 2.260 1135 E HA 0.408 4.758 4.350 -0.000 0.000 0.266 1135 E C -0.958 175.485 176.600 -0.262 0.000 0.887 1135 E CA -0.598 55.696 56.400 -0.176 0.000 0.777 1135 E CB 2.134 31.787 29.700 -0.078 0.000 1.205 1135 E HN 0.383 nan 8.360 nan 0.000 0.414 1136 N N 1.928 120.384 118.700 -0.406 0.000 2.499 1136 N HA 0.330 5.070 4.740 -0.000 0.000 0.281 1136 N C -0.430 174.667 175.510 -0.688 0.000 1.098 1136 N CA 0.058 52.883 53.050 -0.376 0.000 0.979 1136 N CB 0.603 38.939 38.487 -0.251 0.000 1.121 1136 N HN 0.391 nan 8.380 nan 0.000 0.466 1137 F N 0.570 120.451 119.950 -0.114 0.000 2.556 1137 F HA 0.187 4.714 4.527 -0.000 0.000 0.384 1137 F C 0.386 176.030 175.800 -0.260 0.000 1.493 1137 F CA -0.513 57.393 58.000 -0.156 0.000 1.119 1137 F CB 0.675 39.484 39.000 -0.319 0.000 1.280 1137 F HN 0.113 nan 8.300 nan 0.000 0.525 1138 V N 1.457 121.352 119.914 -0.031 0.000 2.963 1138 V HA 0.120 4.240 4.120 -0.000 0.000 0.306 1138 V C -0.114 176.054 176.094 0.123 0.000 1.077 1138 V CA 0.682 62.954 62.300 -0.047 0.000 1.124 1138 V CB 1.402 33.184 31.823 -0.070 0.000 0.987 1138 V HN 0.411 nan 8.190 nan 0.000 0.487 1139 D N 2.603 123.076 120.400 0.123 0.000 2.706 1139 D HA 0.252 4.892 4.640 -0.000 0.000 0.225 1139 D C -1.548 174.801 176.300 0.082 0.000 1.241 1139 D CA -0.470 53.657 54.000 0.213 0.000 0.784 1139 D CB 1.882 42.963 40.800 0.469 0.000 1.521 1139 D HN 0.257 nan 8.370 nan 0.000 0.461 1140 I N 3.163 123.750 120.570 0.030 0.000 2.442 1140 I HA 0.283 4.453 4.170 -0.000 0.000 0.279 1140 I C -2.271 173.759 176.117 -0.146 0.000 1.081 1140 I CA -1.890 59.375 61.300 -0.058 0.000 1.197 1140 I CB -0.051 37.923 38.000 -0.043 0.000 1.394 1140 I HN -0.009 nan 8.210 nan 0.000 0.488 1141 P HA 0.093 nan 4.420 nan 0.000 0.266 1141 P C 0.457 177.603 177.300 -0.257 0.000 1.195 1141 P CA 0.173 62.983 63.100 -0.483 0.000 0.768 1141 P CB 1.108 32.512 31.700 -0.494 0.000 0.838 1142 E N 1.417 121.499 120.200 -0.195 0.000 3.638 1142 E HA 0.075 4.425 4.350 -0.000 0.000 0.289 1142 E C -0.117 176.447 176.600 -0.062 0.000 1.464 1142 E CA -0.062 56.291 56.400 -0.078 0.000 1.396 1142 E CB 0.023 29.718 29.700 -0.007 0.000 1.303 1142 E HN 0.426 nan 8.360 nan 0.000 0.785 1143 D N 1.972 122.360 120.400 -0.019 0.000 2.455 1143 D HA 0.056 4.696 4.640 -0.000 0.000 0.234 1143 D C 0.288 176.596 176.300 0.014 0.000 1.224 1143 D CA 0.293 54.293 54.000 0.000 0.000 0.999 1143 D CB -0.162 40.645 40.800 0.010 0.000 1.072 1143 D HN 0.273 nan 8.370 nan 0.000 0.514 1144 T N -1.867 112.692 114.554 0.009 0.000 2.910 1144 T HA 0.366 4.715 4.350 -0.000 0.000 0.287 1144 T C 0.895 175.618 174.700 0.038 0.000 1.050 1144 T CA -0.746 61.371 62.100 0.030 0.000 1.011 1144 T CB 2.810 71.703 68.868 0.041 0.000 1.195 1144 T HN -0.007 nan 8.240 nan 0.000 0.540 1145 K N -0.214 120.213 120.400 0.045 0.000 2.214 1145 K HA 0.313 4.633 4.320 -0.000 0.000 0.201 1145 K C 0.749 177.380 176.600 0.052 0.000 1.049 1145 K CA 0.389 56.704 56.287 0.047 0.000 0.978 1145 K CB 0.266 32.789 32.500 0.038 0.000 0.842 1145 K HN 0.432 nan 8.250 nan 0.000 0.474 1146 K N 0.303 120.734 120.400 0.052 0.000 2.378 1146 K HA 0.552 4.872 4.320 -0.000 0.000 0.244 1146 K C -1.613 175.020 176.600 0.056 0.000 1.039 1146 K CA -0.765 55.553 56.287 0.051 0.000 0.863 1146 K CB 2.111 34.636 32.500 0.043 0.000 1.326 1146 K HN -0.122 nan 8.250 nan 0.000 0.460 1147 L N 0.723 121.975 121.223 0.049 0.000 2.513 1147 L HA 0.385 4.725 4.340 -0.000 0.000 0.261 1147 L C -1.827 175.060 176.870 0.028 0.000 0.945 1147 L CA -0.304 54.560 54.840 0.040 0.000 0.848 1147 L CB 2.146 44.209 42.059 0.007 0.000 1.334 1147 L HN 0.726 nan 8.230 nan 0.000 0.407 1148 E N 4.796 125.002 120.200 0.010 0.000 2.218 1148 E HA 0.516 4.866 4.350 -0.000 0.000 0.263 1148 E C -1.692 174.887 176.600 -0.034 0.000 0.879 1148 E CA -0.559 55.841 56.400 0.000 0.000 0.762 1148 E CB 1.694 31.388 29.700 -0.009 0.000 1.166 1148 E HN 0.579 nan 8.360 nan 0.000 0.415 1149 I N 4.356 124.933 120.570 0.012 0.000 2.382 1149 I HA 0.295 4.465 4.170 -0.000 0.000 0.285 1149 I C -0.711 175.464 176.117 0.096 0.000 1.007 1149 I CA -0.908 60.393 61.300 0.001 0.000 1.142 1149 I CB 1.329 39.325 38.000 -0.006 0.000 1.289 1149 I HN 0.369 nan 8.210 nan 0.000 0.453 1150 N N 6.796 125.515 118.700 0.031 0.000 2.437 1150 N HA 0.367 5.107 4.740 -0.000 0.000 0.259 1150 N C -0.664 174.876 175.510 0.049 0.000 0.983 1150 N CA -0.353 52.727 53.050 0.050 0.000 0.937 1150 N CB 2.311 40.808 38.487 0.016 0.000 1.122 1150 N HN 0.160 nan 8.380 nan 0.000 0.499 1151 V N 0.466 120.415 119.914 0.059 0.000 2.472 1151 V HA 0.846 4.966 4.120 -0.000 0.000 0.290 1151 V C 0.729 176.877 176.094 0.090 0.000 1.037 1151 V CA -0.755 61.516 62.300 -0.048 0.000 0.908 1151 V CB 1.665 33.214 31.823 -0.457 0.000 0.985 1151 V HN 0.751 nan 8.190 nan 0.000 0.454 1152 G N 1.300 110.178 108.800 0.130 0.000 2.741 1152 G HA2 0.731 4.691 3.960 -0.000 0.000 0.293 1152 G HA3 0.731 4.691 3.960 -0.000 0.000 0.293 1152 G C -0.222 174.840 174.900 0.269 0.000 1.457 1152 G CA 0.349 45.566 45.100 0.195 0.000 1.098 1152 G HN 1.321 nan 8.290 nan 0.000 0.536 1153 G N 0.381 109.356 108.800 0.292 0.000 2.217 1153 G HA2 0.253 4.213 3.960 -0.000 0.000 0.126 1153 G HA3 0.253 4.213 3.960 -0.000 0.000 0.126 1153 G C -1.484 173.457 174.900 0.068 0.000 1.293 1153 G CA -0.172 45.051 45.100 0.204 0.000 1.219 1153 G HN 1.107 nan 8.290 nan 0.000 0.477 1154 I N 1.092 121.755 120.570 0.156 0.000 2.644 1154 I HA 0.638 4.808 4.170 -0.000 0.000 0.291 1154 I C 0.466 176.823 176.117 0.399 0.000 1.180 1154 I CA 0.608 62.017 61.300 0.180 0.000 1.040 1154 I CB 1.928 39.877 38.000 -0.085 0.000 1.255 1154 I HN 2.110 nan 8.210 nan 0.000 0.422 1155 G N 4.825 113.850 108.800 0.375 0.000 2.293 1155 G HA2 0.027 3.987 3.960 -0.000 0.000 0.282 1155 G HA3 0.027 3.987 3.960 -0.000 0.000 0.282 1155 G C -2.026 173.004 174.900 0.216 0.000 1.299 1155 G CA -0.743 44.583 45.100 0.377 0.000 1.018 1155 G HN 0.504 nan 8.290 nan 0.000 0.478 1156 F N 1.075 121.027 119.950 0.004 0.000 2.520 1156 F HA 0.779 5.306 4.527 -0.000 0.000 0.322 1156 F C 0.368 175.810 175.800 -0.597 0.000 1.103 1156 F CA 0.606 58.404 58.000 -0.337 0.000 0.926 1156 F CB 2.100 41.016 39.000 -0.141 0.000 1.154 1156 F HN 1.290 nan 8.300 nan 0.000 0.453 1157 G N 5.157 112.722 108.800 -2.060 0.000 2.673 1157 G HA2 0.563 4.523 3.960 -0.000 0.000 0.292 1157 G HA3 0.563 4.523 3.960 -0.000 0.000 0.292 1157 G C -2.470 171.622 174.900 -1.347 0.000 1.450 1157 G CA -0.910 43.277 45.100 -1.522 0.000 0.837 1157 G HN 0.742 nan 8.290 nan 0.000 0.505 1158 L N 0.591 121.454 121.223 -0.600 0.000 2.333 1158 L HA 0.567 4.907 4.340 -0.000 0.000 0.280 1158 L C -0.471 176.250 176.870 -0.249 0.000 1.004 1158 L CA -0.675 53.941 54.840 -0.374 0.000 0.820 1158 L CB 1.971 43.877 42.059 -0.255 0.000 1.247 1158 L HN 0.258 nan 8.230 nan 0.000 0.416 1159 L N 3.938 125.038 121.223 -0.205 0.000 2.295 1159 L HA 0.467 4.807 4.340 -0.000 0.000 0.281 1159 L C -0.428 176.339 176.870 -0.172 0.000 1.018 1159 L CA -0.327 54.426 54.840 -0.145 0.000 0.841 1159 L CB 1.142 43.135 42.059 -0.109 0.000 1.218 1159 L HN 0.607 nan 8.230 nan 0.000 0.424 1160 E N 2.908 122.922 120.200 -0.309 0.000 2.212 1160 E HA 0.607 4.957 4.350 -0.000 0.000 0.268 1160 E C -1.177 175.270 176.600 -0.254 0.000 0.902 1160 E CA -0.843 55.396 56.400 -0.267 0.000 0.779 1160 E CB 3.251 32.766 29.700 -0.308 0.000 1.172 1160 E HN 0.166 nan 8.360 nan 0.000 0.409 1161 V N 2.740 122.545 119.914 -0.182 0.000 2.448 1161 V HA 0.315 4.434 4.120 -0.000 0.000 0.295 1161 V C -0.523 175.344 176.094 -0.377 0.000 1.025 1161 V CA -0.828 61.313 62.300 -0.266 0.000 0.859 1161 V CB 1.781 33.458 31.823 -0.242 0.000 0.988 1161 V HN 0.435 nan 8.190 nan 0.000 0.431 1162 V N 5.385 125.018 119.914 -0.468 0.000 2.384 1162 V HA 0.490 4.610 4.120 -0.000 0.000 0.287 1162 V C -1.042 174.713 176.094 -0.565 0.000 1.020 1162 V CA -0.776 61.275 62.300 -0.416 0.000 0.850 1162 V CB 1.351 32.981 31.823 -0.322 0.000 0.987 1162 V HN 0.738 nan 8.190 nan 0.000 0.436 1163 Y N 2.789 122.857 120.300 -0.387 0.000 2.341 1163 Y HA 0.531 5.081 4.550 -0.000 0.000 0.337 1163 Y C 0.635 176.115 175.900 -0.699 0.000 1.014 1163 Y CA -0.662 57.065 58.100 -0.621 0.000 1.111 1163 Y CB 1.590 39.460 38.460 -0.982 0.000 1.194 1163 Y HN 0.449 nan 8.280 nan 0.000 0.462 1164 Q N 4.300 123.838 119.800 -0.437 0.000 2.721 1164 Q HA 0.242 4.582 4.340 -0.000 0.000 0.257 1164 Q C -1.211 174.656 176.000 -0.221 0.000 1.070 1164 Q CA -0.517 55.102 55.803 -0.306 0.000 0.910 1164 Q CB 0.362 28.988 28.738 -0.186 0.000 1.163 1164 Q HN 0.581 nan 8.270 nan 0.000 0.501 1165 F N 1.048 120.997 119.950 -0.001 0.000 2.553 1165 F HA 0.030 4.557 4.527 -0.000 0.000 0.356 1165 F C 1.402 177.180 175.800 -0.037 0.000 1.142 1165 F CA 0.280 58.266 58.000 -0.023 0.000 1.322 1165 F CB 0.365 39.334 39.000 -0.051 0.000 1.126 1165 F HN 0.181 nan 8.300 nan 0.000 0.599 1166 N N 3.138 121.939 118.700 0.169 0.000 2.644 1166 N HA 0.213 4.953 4.740 -0.000 0.000 0.313 1166 N C -1.102 174.429 175.510 0.035 0.000 1.863 1166 N CA -0.293 52.798 53.050 0.069 0.000 0.918 1166 N CB 0.466 38.977 38.487 0.040 0.000 1.320 1166 N HN 0.297 nan 8.380 nan 0.000 0.490 1167 L N 0.368 121.602 121.223 0.018 0.000 2.506 1167 L HA 0.081 4.421 4.340 -0.000 0.000 0.281 1167 L C 1.250 178.092 176.870 -0.046 0.000 1.228 1167 L CA -0.100 54.715 54.840 -0.041 0.000 0.850 1167 L CB -0.065 41.938 42.059 -0.094 0.000 1.110 1167 L HN 0.141 nan 8.230 nan 0.000 0.496 1168 N N 1.152 119.823 118.700 -0.049 0.000 2.395 1168 N HA 0.009 4.749 4.740 -0.000 0.000 0.246 1168 N C -0.774 174.702 175.510 -0.058 0.000 1.246 1168 N CA -0.229 52.796 53.050 -0.041 0.000 0.879 1168 N CB 0.479 38.946 38.487 -0.033 0.000 1.098 1168 N HN 0.529 nan 8.380 nan 0.000 0.444 1169 L N 3.947 125.142 121.223 -0.046 0.000 2.283 1169 L HA 0.403 4.743 4.340 -0.000 0.000 0.287 1169 L C -0.987 175.864 176.870 -0.031 0.000 1.073 1169 L CA -0.139 54.663 54.840 -0.062 0.000 0.822 1169 L CB 0.381 42.417 42.059 -0.039 0.000 1.186 1169 L HN 0.220 nan 8.230 nan 0.000 0.436 1170 V N 4.370 124.264 119.914 -0.033 0.000 2.925 1170 V HA 0.442 4.562 4.120 -0.000 0.000 0.311 1170 V C -0.284 175.842 176.094 0.052 0.000 1.104 1170 V CA -1.134 61.172 62.300 0.011 0.000 0.954 1170 V CB 2.293 34.120 31.823 0.007 0.000 1.022 1170 V HN 0.656 nan 8.190 nan 0.000 0.427 1171 N N 2.497 121.244 118.700 0.078 0.000 2.458 1171 N HA 0.398 5.138 4.740 -0.000 0.000 0.258 1171 N C -0.903 174.723 175.510 0.193 0.000 1.219 1171 N CA 0.461 53.579 53.050 0.113 0.000 0.902 1171 N CB 0.291 38.824 38.487 0.077 0.000 1.076 1171 N HN 0.624 nan 8.380 nan 0.000 0.455 1172 F N 0.360 120.314 119.950 0.006 0.000 2.665 1172 F HA 0.363 4.890 4.527 -0.000 0.000 0.308 1172 F C -1.539 174.278 175.800 0.027 0.000 1.112 1172 F CA -0.769 57.234 58.000 0.005 0.000 0.972 1172 F CB 1.442 40.435 39.000 -0.012 0.000 1.295 1172 F HN 0.589 nan 8.300 nan 0.000 0.440 1173 E N 3.020 122.709 120.200 -0.852 0.000 2.321 1173 E HA 0.379 4.728 4.350 -0.000 0.000 0.281 1173 E C -2.283 173.868 176.600 -0.748 0.000 0.910 1173 E CA -1.065 54.990 56.400 -0.576 0.000 0.770 1173 E CB 2.061 31.648 29.700 -0.189 0.000 1.225 1173 E HN 0.498 nan 8.360 nan 0.000 0.417 1174 N N 2.454 120.927 118.700 -0.377 0.000 2.577 1174 N HA 0.249 4.989 4.740 -0.000 0.000 0.275 1174 N C -0.551 174.975 175.510 0.027 0.000 1.091 1174 N CA -0.456 52.491 53.050 -0.172 0.000 0.843 1174 N CB 0.548 39.022 38.487 -0.021 0.000 1.295 1174 N HN 0.682 nan 8.380 nan 0.000 0.530 1175 R N 0.808 121.257 120.500 -0.085 0.000 3.919 1175 R HA -0.170 4.169 4.340 -0.000 0.000 0.412 1175 R C -1.066 175.025 176.300 -0.348 0.000 1.102 1175 R CA 0.878 56.836 56.100 -0.237 0.000 1.082 1175 R CB -2.345 27.820 30.300 -0.225 0.000 1.671 1175 R HN 0.509 nan 8.270 nan 0.000 0.540 1176 F N -0.118 119.788 119.950 -0.073 0.000 2.588 1176 F HA 0.417 4.944 4.527 -0.000 0.000 0.310 1176 F C 0.444 176.215 175.800 -0.048 0.000 1.082 1176 F CA -0.650 57.346 58.000 -0.008 0.000 0.929 1176 F CB 1.918 40.963 39.000 0.074 0.000 1.254 1176 F HN -0.175 nan 8.300 nan 0.000 0.455 1177 Q N 2.786 122.682 119.800 0.160 0.000 2.316 1177 Q HA 0.692 5.032 4.340 -0.000 0.000 0.264 1177 Q C -2.029 174.027 176.000 0.093 0.000 0.987 1177 Q CA -0.985 54.861 55.803 0.073 0.000 0.852 1177 Q CB 2.131 30.876 28.738 0.012 0.000 1.287 1177 Q HN 0.666 nan 8.270 nan 0.000 0.448 1178 L N 4.054 125.310 121.223 0.054 0.000 2.439 1178 L HA 0.551 4.891 4.340 -0.000 0.000 0.270 1178 L C -1.976 174.894 176.870 0.000 0.000 0.972 1178 L CA -0.185 54.673 54.840 0.030 0.000 0.836 1178 L CB 2.012 44.099 42.059 0.047 0.000 1.255 1178 L HN 0.605 nan 8.230 nan 0.000 0.404 1179 D N 5.957 126.337 120.400 -0.033 0.000 2.505 1179 D HA 0.545 5.185 4.640 -0.000 0.000 0.249 1179 D C -0.816 175.431 176.300 -0.088 0.000 1.082 1179 D CA -0.064 53.908 54.000 -0.046 0.000 0.839 1179 D CB 2.520 43.292 40.800 -0.046 0.000 1.317 1179 D HN 0.425 nan 8.370 nan 0.000 0.497 1180 L N 1.398 122.572 121.223 -0.082 0.000 2.334 1180 L HA 0.542 4.882 4.340 -0.000 0.000 0.276 1180 L C 0.160 176.961 176.870 -0.114 0.000 1.014 1180 L CA -0.824 53.933 54.840 -0.138 0.000 0.815 1180 L CB 1.628 43.597 42.059 -0.151 0.000 1.268 1180 L HN 0.389 nan 8.230 nan 0.000 0.428 1181 E N 1.144 121.258 120.200 -0.143 0.000 2.321 1181 E HA 0.422 4.772 4.350 -0.000 0.000 0.278 1181 E C -1.658 174.872 176.600 -0.117 0.000 0.902 1181 E CA -1.102 55.237 56.400 -0.103 0.000 0.758 1181 E CB 1.938 31.594 29.700 -0.072 0.000 1.213 1181 E HN 0.360 nan 8.360 nan 0.000 0.426 1182 K N 2.576 122.926 120.400 -0.084 0.000 2.297 1182 K HA 0.177 4.497 4.320 -0.000 0.000 0.286 1182 K C -0.289 176.282 176.600 -0.048 0.000 1.053 1182 K CA -0.311 55.932 56.287 -0.072 0.000 0.940 1182 K CB 1.138 33.618 32.500 -0.034 0.000 1.019 1182 K HN 0.455 nan 8.250 nan 0.000 0.475 1183 Q N 1.331 121.103 119.800 -0.048 0.000 2.227 1183 Q HA 0.138 4.478 4.340 -0.000 0.000 0.245 1183 Q C -0.257 175.735 176.000 -0.013 0.000 0.926 1183 Q CA -0.721 55.064 55.803 -0.029 0.000 0.895 1183 Q CB 1.038 29.759 28.738 -0.030 0.000 1.230 1183 Q HN 0.387 nan 8.270 nan 0.000 0.450 1184 N N 1.151 119.849 118.700 -0.004 0.000 2.401 1184 N HA 0.007 4.747 4.740 -0.000 0.000 0.255 1184 N C 0.350 175.868 175.510 0.014 0.000 1.110 1184 N CA 0.169 53.222 53.050 0.005 0.000 0.949 1184 N CB 1.053 39.543 38.487 0.006 0.000 1.110 1184 N HN 0.688 nan 8.380 nan 0.000 0.490 1185 T N -0.328 114.239 114.554 0.021 0.000 3.044 1185 T HA 0.160 4.510 4.350 -0.000 0.000 0.255 1185 T C 1.301 176.030 174.700 0.048 0.000 1.073 1185 T CA 0.634 62.756 62.100 0.037 0.000 1.125 1185 T CB 0.139 69.035 68.868 0.046 0.000 0.908 1185 T HN 0.553 nan 8.240 nan 0.000 0.480 1186 G N 0.695 109.516 108.800 0.036 0.000 2.179 1186 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 1186 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 1186 G C 0.149 175.073 174.900 0.041 0.000 0.977 1186 G CA 0.350 45.471 45.100 0.036 0.000 0.641 1186 G HN 1.099 nan 8.290 nan 0.000 0.533 1187 S N -0.612 115.117 115.700 0.048 0.000 2.538 1187 S HA 0.570 5.040 4.470 -0.000 0.000 0.288 1187 S C 0.669 175.242 174.600 -0.044 0.000 1.108 1187 S CA 0.146 58.370 58.200 0.040 0.000 0.971 1187 S CB 1.452 64.749 63.200 0.162 0.000 1.041 1187 S HN 0.042 nan 8.310 nan 0.000 0.483 1188 D N 2.543 122.798 120.400 -0.242 0.000 2.310 1188 D HA -0.015 4.624 4.640 -0.000 0.000 0.212 1188 D C 0.584 176.716 176.300 -0.281 0.000 0.965 1188 D CA 1.383 55.191 54.000 -0.321 0.000 0.879 1188 D CB -0.044 40.464 40.800 -0.487 0.000 0.921 1188 D HN 0.742 nan 8.370 nan 0.000 0.510 1189 Y N 0.129 120.499 120.300 0.117 0.000 2.457 1189 Y HA 0.221 4.771 4.550 -0.000 0.000 0.263 1189 Y C 0.904 176.923 175.900 0.200 0.000 1.164 1189 Y CA -0.262 57.898 58.100 0.099 0.000 1.274 1189 Y CB 0.526 39.070 38.460 0.140 0.000 1.097 1189 Y HN -0.186 nan 8.280 nan 0.000 0.523 1190 E N 1.469 121.837 120.200 0.279 0.000 2.187 1190 E HA 0.437 4.787 4.350 -0.000 0.000 0.268 1190 E C -1.761 174.903 176.600 0.107 0.000 0.896 1190 E CA -1.079 55.413 56.400 0.153 0.000 0.766 1190 E CB 1.620 31.403 29.700 0.138 0.000 1.142 1190 E HN 0.127 nan 8.360 nan 0.000 0.408 1191 L N 4.465 125.719 121.223 0.052 0.000 2.325 1191 L HA 0.507 4.847 4.340 -0.000 0.000 0.281 1191 L C -1.248 175.581 176.870 -0.068 0.000 1.004 1191 L CA -0.305 54.539 54.840 0.006 0.000 0.823 1191 L CB 1.235 43.274 42.059 -0.034 0.000 1.236 1191 L HN 0.493 nan 8.230 nan 0.000 0.415 1192 R N 5.152 125.616 120.500 -0.060 0.000 2.320 1192 R HA 0.519 4.859 4.340 -0.000 0.000 0.319 1192 R C -1.448 174.796 176.300 -0.093 0.000 0.969 1192 R CA -0.823 55.237 56.100 -0.067 0.000 0.857 1192 R CB 1.456 31.731 30.300 -0.041 0.000 1.160 1192 R HN 0.564 nan 8.270 nan 0.000 0.491 1193 L N 3.328 124.476 121.223 -0.126 0.000 2.280 1193 L HA 0.325 4.665 4.340 -0.000 0.000 0.287 1193 L C -0.360 176.387 176.870 -0.204 0.000 1.023 1193 L CA -0.180 54.534 54.840 -0.210 0.000 0.819 1193 L CB 1.014 42.868 42.059 -0.341 0.000 1.212 1193 L HN 0.337 nan 8.230 nan 0.000 0.420 1194 K N 4.268 124.545 120.400 -0.206 0.000 2.312 1194 K HA 0.462 4.782 4.320 -0.000 0.000 0.287 1194 K C -1.316 175.074 176.600 -0.349 0.000 1.062 1194 K CA -0.425 55.717 56.287 -0.240 0.000 0.934 1194 K CB 0.789 33.195 32.500 -0.158 0.000 1.027 1194 K HN 0.519 nan 8.250 nan 0.000 0.478 1195 V N 4.612 124.172 119.914 -0.590 0.000 2.459 1195 V HA 0.342 4.462 4.120 -0.000 0.000 0.295 1195 V C -0.480 175.310 176.094 -0.506 0.000 1.029 1195 V CA -0.863 61.052 62.300 -0.642 0.000 0.874 1195 V CB 1.480 32.677 31.823 -1.042 0.000 0.985 1195 V HN 0.866 nan 8.190 nan 0.000 0.438 1196 c N 4.153 122.593 118.600 -0.268 0.000 2.482 1196 c HA 0.927 5.497 4.570 -0.000 0.000 0.317 1196 c C 0.354 174.395 174.090 -0.082 0.000 1.197 1196 c CA -0.653 55.586 56.329 -0.150 0.000 1.432 1196 c CB 0.813 43.264 42.510 -0.097 0.000 2.062 1196 c HN 1.037 nan 8.230 nan 0.000 0.471 1197 A N 2.753 125.546 122.820 -0.044 0.000 2.435 1197 A HA 1.008 5.328 4.320 -0.000 0.000 0.304 1197 A C -0.484 177.128 177.584 0.046 0.000 1.064 1197 A CA -0.334 51.714 52.037 0.018 0.000 0.727 1197 A CB 1.419 20.419 19.000 0.001 0.000 1.284 1197 A HN 1.248 nan 8.150 nan 0.000 0.415 1198 S N 0.089 115.864 115.700 0.125 0.000 2.550 1198 S HA 0.600 5.070 4.470 -0.000 0.000 0.270 1198 S C -1.236 173.439 174.600 0.124 0.000 1.145 1198 S CA -0.622 57.642 58.200 0.106 0.000 0.852 1198 S CB 0.798 64.021 63.200 0.038 0.000 1.119 1198 S HN 0.997 nan 8.310 nan 0.000 0.465 1199 Y N 1.615 121.814 120.300 -0.168 0.000 2.304 1199 Y HA 0.583 5.133 4.550 -0.000 0.000 0.327 1199 Y C -0.224 175.497 175.900 -0.299 0.000 1.209 1199 Y CA -1.058 56.743 58.100 -0.499 0.000 1.299 1199 Y CB 0.576 38.754 38.460 -0.469 0.000 1.249 1199 Y HN 0.667 nan 8.280 nan 0.000 0.519 1200 I N 8.700 128.814 120.570 -0.761 0.000 2.282 1200 I HA 0.228 4.398 4.170 -0.000 0.000 0.290 1200 I C -2.146 173.602 176.117 -0.615 0.000 1.090 1200 I CA -1.987 59.002 61.300 -0.517 0.000 1.231 1200 I CB 0.414 38.183 38.000 -0.385 0.000 1.434 1200 I HN 0.440 nan 8.210 nan 0.000 0.487 1201 P HA 0.076 nan 4.420 nan 0.000 0.271 1201 P C -1.296 175.904 177.300 -0.168 0.000 1.216 1201 P CA -0.272 62.710 63.100 -0.198 0.000 0.776 1201 P CB 0.798 32.475 31.700 -0.038 0.000 0.881 1202 Q N 2.946 122.672 119.800 -0.122 0.000 2.271 1202 Q HA 0.507 4.847 4.340 -0.000 0.000 0.268 1202 Q C -0.115 175.862 176.000 -0.038 0.000 1.021 1202 Q CA -0.876 54.875 55.803 -0.087 0.000 0.802 1202 Q CB 1.394 30.066 28.738 -0.110 0.000 1.282 1202 Q HN 0.222 nan 8.270 nan 0.000 0.431 1203 L N 0.254 121.460 121.223 -0.028 0.000 6.328 1203 L HA -0.427 3.913 4.340 -0.000 0.000 0.053 1203 L C 1.592 178.463 176.870 0.002 0.000 2.032 1203 L CA 1.819 56.653 54.840 -0.011 0.000 1.701 1203 L CB -1.687 40.368 42.059 -0.007 0.000 2.706 1203 L HN 0.984 nan 8.230 nan 0.000 1.012 1204 T N -1.364 113.196 114.554 0.010 0.000 3.072 1204 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 1204 T C 0.596 175.316 174.700 0.033 0.000 1.127 1204 T CA 1.148 63.259 62.100 0.019 0.000 1.107 1204 T CB -0.359 68.519 68.868 0.018 0.000 0.910 1204 T HN 0.431 nan 8.240 nan 0.000 0.513 1205 D N 1.211 121.635 120.400 0.041 0.000 2.517 1205 D HA 0.149 4.789 4.640 -0.000 0.000 0.220 1205 D C 1.201 177.579 176.300 0.130 0.000 1.158 1205 D CA -0.293 53.758 54.000 0.085 0.000 0.992 1205 D CB 0.232 41.084 40.800 0.087 0.000 1.058 1205 D HN 0.251 nan 8.370 nan 0.000 0.516 1206 R N 2.081 122.650 120.500 0.116 0.000 2.156 1206 R HA 0.154 4.493 4.340 -0.000 0.000 0.207 1206 R C 0.593 177.010 176.300 0.196 0.000 1.040 1206 R CA 0.321 56.493 56.100 0.121 0.000 1.013 1206 R CB 0.512 30.851 30.300 0.066 0.000 0.931 1206 R HN 0.320 nan 8.270 nan 0.000 0.465 1207 R N 0.534 121.097 120.500 0.105 0.000 2.854 1207 R HA 0.337 4.677 4.340 -0.000 0.000 0.271 1207 R C 0.110 176.132 176.300 -0.463 0.000 0.994 1207 R CA -0.490 55.552 56.100 -0.098 0.000 0.945 1207 R CB 1.573 31.842 30.300 -0.051 0.000 1.194 1207 R HN -0.019 nan 8.270 nan 0.000 0.476 1208 S N 0.778 115.904 115.700 -0.957 0.000 2.661 1208 S HA 0.239 4.709 4.470 -0.000 0.000 0.265 1208 S C 0.425 174.898 174.600 -0.212 0.000 1.225 1208 S CA -0.756 56.943 58.200 -0.835 0.000 0.986 1208 S CB 0.517 63.240 63.200 -0.795 0.000 1.008 1208 S HN 0.501 nan 8.310 nan 0.000 0.565 1209 N N 0.077 118.758 118.700 -0.032 0.000 2.294 1209 N HA 0.085 4.825 4.740 -0.000 0.000 0.275 1209 N C 0.223 175.867 175.510 0.224 0.000 1.291 1209 N CA -0.314 52.817 53.050 0.134 0.000 0.933 1209 N CB -0.201 38.441 38.487 0.257 0.000 1.096 1209 N HN 0.789 nan 8.380 nan 0.000 0.525 1210 M N 0.911 120.740 119.600 0.383 0.000 2.261 1210 M HA 0.031 4.511 4.480 -0.000 0.000 0.350 1210 M C -0.642 175.815 176.300 0.262 0.000 1.343 1210 M CA 0.253 55.777 55.300 0.373 0.000 1.003 1210 M CB 0.085 32.947 32.600 0.436 0.000 1.848 1210 M HN 0.508 nan 8.290 nan 0.000 0.456 1211 A N 6.949 129.897 122.820 0.214 0.000 2.365 1211 A HA 0.800 5.120 4.320 -0.000 0.000 0.318 1211 A C -1.266 176.306 177.584 -0.019 0.000 1.091 1211 A CA -0.886 51.185 52.037 0.057 0.000 0.763 1211 A CB 1.146 20.194 19.000 0.079 0.000 1.248 1211 A HN 0.891 nan 8.150 nan 0.000 0.442 1212 L N 2.120 123.123 121.223 -0.368 0.000 2.334 1212 L HA 0.606 4.946 4.340 -0.000 0.000 0.273 1212 L C -0.771 175.870 176.870 -0.381 0.000 1.013 1212 L CA -0.576 54.005 54.840 -0.432 0.000 0.816 1212 L CB 1.757 43.411 42.059 -0.675 0.000 1.278 1212 L HN 0.580 nan 8.230 nan 0.000 0.431 1213 I N 1.428 121.919 120.570 -0.132 0.000 2.378 1213 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 1213 I C -0.292 175.815 176.117 -0.016 0.000 0.992 1213 I CA -0.391 60.898 61.300 -0.018 0.000 1.154 1213 I CB 1.978 40.093 38.000 0.192 0.000 1.315 1213 I HN 0.596 nan 8.210 nan 0.000 0.448 1214 E N 5.280 125.518 120.200 0.063 0.000 2.151 1214 E HA 0.482 4.832 4.350 -0.000 0.000 0.275 1214 E C -1.212 175.441 176.600 0.089 0.000 0.936 1214 E CA -0.660 55.785 56.400 0.076 0.000 0.777 1214 E CB 2.613 32.408 29.700 0.158 0.000 1.108 1214 E HN 0.244 nan 8.360 nan 0.000 0.401 1215 V N 3.105 123.049 119.914 0.050 0.000 2.398 1215 V HA 0.284 4.404 4.120 -0.000 0.000 0.286 1215 V C 0.082 176.162 176.094 -0.025 0.000 1.026 1215 V CA -0.508 61.818 62.300 0.043 0.000 0.868 1215 V CB 1.836 33.713 31.823 0.090 0.000 0.982 1215 V HN 0.683 nan 8.190 nan 0.000 0.443 1216 T N 6.239 120.724 114.554 -0.115 0.000 2.859 1216 T HA 0.669 5.019 4.350 -0.000 0.000 0.281 1216 T C -0.312 174.365 174.700 -0.038 0.000 1.005 1216 T CA -0.245 61.736 62.100 -0.199 0.000 1.025 1216 T CB 0.980 69.420 68.868 -0.713 0.000 0.977 1216 T HN 0.344 nan 8.240 nan 0.000 0.458 1217 L N 4.059 125.283 121.223 0.002 0.000 2.334 1217 L HA 0.506 4.846 4.340 -0.000 0.000 0.270 1217 L C -2.081 174.776 176.870 -0.022 0.000 1.018 1217 L CA -2.529 52.339 54.840 0.048 0.000 0.811 1217 L CB 1.389 43.518 42.059 0.116 0.000 1.271 1217 L HN 0.390 nan 8.230 nan 0.000 0.443 1218 P HA 0.060 nan 4.420 nan 0.000 0.269 1218 P C -0.705 176.698 177.300 0.172 0.000 1.215 1218 P CA -0.281 62.794 63.100 -0.042 0.000 0.780 1218 P CB 0.488 32.105 31.700 -0.139 0.000 0.898 1219 S N 1.063 116.852 115.700 0.148 0.000 2.563 1219 S HA 0.281 4.751 4.470 -0.000 0.000 0.294 1219 S C 1.561 176.313 174.600 0.254 0.000 1.279 1219 S CA 1.274 59.575 58.200 0.168 0.000 1.069 1219 S CB -0.749 62.514 63.200 0.104 0.000 0.828 1219 S HN 0.916 nan 8.310 nan 0.000 0.497 1220 G N 2.064 111.010 108.800 0.244 0.000 2.199 1220 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.254 1220 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.254 1220 G C -0.134 174.906 174.900 0.234 0.000 0.982 1220 G CA -0.087 45.189 45.100 0.292 0.000 0.632 1220 G HN 0.651 nan 8.290 nan 0.000 0.529 1221 Y N -0.297 120.114 120.300 0.186 0.000 2.320 1221 Y HA 0.593 5.143 4.550 -0.000 0.000 0.324 1221 Y C 0.595 176.601 175.900 0.176 0.000 1.190 1221 Y CA -0.698 57.495 58.100 0.156 0.000 1.215 1221 Y CB 2.002 40.529 38.460 0.112 0.000 1.221 1221 Y HN 0.108 nan 8.280 nan 0.000 0.486 1222 V N 3.156 123.250 119.914 0.299 0.000 2.888 1222 V HA 0.393 4.513 4.120 -0.000 0.000 0.309 1222 V C -0.782 175.439 176.094 0.212 0.000 1.114 1222 V CA -1.181 61.259 62.300 0.233 0.000 0.940 1222 V CB 1.945 33.893 31.823 0.209 0.000 1.021 1222 V HN 0.584 nan 8.190 nan 0.000 0.426 1223 V N 0.353 120.355 119.914 0.148 0.000 2.686 1223 V HA 0.636 4.756 4.120 -0.000 0.000 0.295 1223 V C 0.144 176.320 176.094 0.136 0.000 1.057 1223 V CA -0.518 61.852 62.300 0.116 0.000 1.012 1223 V CB 1.267 33.122 31.823 0.053 0.000 1.006 1223 V HN 0.936 nan 8.190 nan 0.000 0.477 1224 D N 4.542 125.051 120.400 0.183 0.000 2.403 1224 D HA 0.111 4.750 4.640 -0.000 0.000 0.278 1224 D C 1.556 177.902 176.300 0.076 0.000 1.230 1224 D CA -0.290 53.815 54.000 0.175 0.000 1.062 1224 D CB 0.193 41.169 40.800 0.293 0.000 1.119 1224 D HN 0.546 nan 8.370 nan 0.000 0.557 1225 R N 0.096 120.633 120.500 0.061 0.000 2.080 1225 R HA -0.117 4.223 4.340 -0.000 0.000 0.236 1225 R C -0.240 176.053 176.300 -0.011 0.000 1.137 1225 R CA 1.179 57.282 56.100 0.005 0.000 0.943 1225 R CB -1.308 28.997 30.300 0.009 0.000 0.846 1225 R HN 0.475 nan 8.270 nan 0.000 0.431 1226 N N 2.247 120.952 118.700 0.008 0.000 2.776 1226 N HA 0.197 4.937 4.740 -0.000 0.000 0.245 1226 N C -2.110 173.401 175.510 0.002 0.000 1.121 1226 N CA -1.176 51.866 53.050 -0.012 0.000 0.852 1226 N CB 1.974 40.450 38.487 -0.019 0.000 1.142 1226 N HN 0.211 nan 8.380 nan 0.000 0.514 1227 P HA 0.053 nan 4.420 nan 0.000 0.233 1227 P C 0.230 177.527 177.300 -0.004 0.000 1.167 1227 P CA 0.486 63.587 63.100 0.002 0.000 0.770 1227 P CB 0.643 32.338 31.700 -0.009 0.000 0.837 1228 I N 0.697 121.246 120.570 -0.035 0.000 2.336 1228 I HA 0.172 4.342 4.170 -0.000 0.000 0.292 1228 I C 0.626 176.747 176.117 0.006 0.000 0.991 1228 I CA -0.085 61.195 61.300 -0.032 0.000 1.227 1228 I CB 1.529 39.428 38.000 -0.168 0.000 1.366 1228 I HN -0.063 nan 8.210 nan 0.000 0.466 1229 S N 2.778 118.513 115.700 0.059 0.000 2.697 1229 S HA 0.619 5.089 4.470 -0.000 0.000 0.289 1229 S C -0.417 174.233 174.600 0.083 0.000 1.149 1229 S CA -0.908 57.323 58.200 0.052 0.000 0.850 1229 S CB 1.572 64.797 63.200 0.042 0.000 1.151 1229 S HN 0.650 nan 8.310 nan 0.000 0.491 1230 E N -0.502 119.733 120.200 0.058 0.000 2.360 1230 E HA -0.226 4.124 4.350 -0.000 0.000 0.238 1230 E C -0.938 175.716 176.600 0.089 0.000 1.186 1230 E CA 0.448 56.883 56.400 0.059 0.000 0.719 1230 E CB -1.723 28.003 29.700 0.044 0.000 1.236 1230 E HN 0.600 nan 8.360 nan 0.000 0.386 1231 Q N 0.948 120.805 119.800 0.096 0.000 2.337 1231 Q HA 0.148 4.488 4.340 -0.000 0.000 0.270 1231 Q C 0.525 176.582 176.000 0.094 0.000 1.002 1231 Q CA 0.544 56.420 55.803 0.122 0.000 0.888 1231 Q CB 0.608 29.383 28.738 0.063 0.000 1.222 1231 Q HN 0.282 nan 8.270 nan 0.000 0.400 1232 T N -0.253 114.372 114.554 0.118 0.000 2.926 1232 T HA 0.144 4.494 4.350 -0.000 0.000 0.307 1232 T C 0.565 175.314 174.700 0.082 0.000 1.059 1232 T CA -0.616 61.538 62.100 0.091 0.000 1.122 1232 T CB 0.839 69.765 68.868 0.096 0.000 0.972 1232 T HN 0.503 nan 8.240 nan 0.000 0.545 1233 K N 1.102 121.538 120.400 0.060 0.000 2.354 1233 K HA 0.101 4.421 4.320 -0.000 0.000 0.194 1233 K C 2.199 178.831 176.600 0.054 0.000 1.045 1233 K CA 0.300 56.615 56.287 0.047 0.000 1.026 1233 K CB -0.054 32.465 32.500 0.031 0.000 0.866 1233 K HN 0.525 nan 8.250 nan 0.000 0.530 1234 V N 1.426 121.379 119.914 0.064 0.000 2.282 1234 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 1234 V C 0.848 176.992 176.094 0.084 0.000 1.057 1234 V CA 1.535 63.875 62.300 0.067 0.000 1.032 1234 V CB -0.741 31.122 31.823 0.068 0.000 0.645 1234 V HN 0.322 nan 8.190 nan 0.000 0.447 1235 N N 0.516 119.284 118.700 0.115 0.000 2.675 1235 N HA 0.318 5.058 4.740 -0.000 0.000 0.254 1235 N C -2.937 172.683 175.510 0.184 0.000 1.224 1235 N CA -1.814 51.330 53.050 0.158 0.000 0.777 1235 N CB 1.247 39.845 38.487 0.185 0.000 1.256 1235 N HN 0.192 nan 8.380 nan 0.000 0.531 1236 P HA 0.197 nan 4.420 nan 0.000 0.272 1236 P C 0.138 177.318 177.300 -0.200 0.000 1.223 1236 P CA -0.170 62.912 63.100 -0.030 0.000 0.784 1236 P CB 1.233 32.895 31.700 -0.064 0.000 0.923 1237 I N 2.969 123.322 120.570 -0.361 0.000 2.581 1237 I HA -0.072 4.098 4.170 -0.000 0.000 0.285 1237 I C 1.836 177.615 176.117 -0.563 0.000 1.129 1237 I CA 0.189 61.086 61.300 -0.672 0.000 1.397 1237 I CB 0.175 37.825 38.000 -0.584 0.000 1.399 1237 I HN 0.244 nan 8.210 nan 0.000 0.537 1238 Q N 5.183 124.545 119.800 -0.730 0.000 2.331 1238 Q HA 0.081 4.421 4.340 -0.000 0.000 0.203 1238 Q C 0.363 175.769 176.000 -0.989 0.000 0.944 1238 Q CA 0.885 56.080 55.803 -1.014 0.000 0.892 1238 Q CB 0.237 27.894 28.738 -1.802 0.000 0.983 1238 Q HN 0.576 nan 8.270 nan 0.000 0.482 1239 K N -0.234 119.728 120.400 -0.731 0.000 2.557 1239 K HA 0.294 4.614 4.320 -0.000 0.000 0.257 1239 K C -1.543 174.932 176.600 -0.208 0.000 0.933 1239 K CA -0.116 55.895 56.287 -0.459 0.000 0.820 1239 K CB 1.813 33.978 32.500 -0.558 0.000 1.330 1239 K HN -0.233 nan 8.250 nan 0.000 0.432 1240 T N 2.952 117.401 114.554 -0.174 0.000 2.786 1240 T HA 0.261 4.611 4.350 -0.000 0.000 0.283 1240 T C -1.234 173.427 174.700 -0.065 0.000 0.992 1240 T CA -0.680 61.342 62.100 -0.130 0.000 0.954 1240 T CB 1.016 69.773 68.868 -0.184 0.000 0.934 1240 T HN 0.602 nan 8.240 nan 0.000 0.440 1241 E N 3.887 124.086 120.200 -0.001 0.000 2.199 1241 E HA 0.574 4.924 4.350 -0.000 0.000 0.265 1241 E C -1.197 175.367 176.600 -0.059 0.000 0.882 1241 E CA -0.890 55.507 56.400 -0.005 0.000 0.759 1241 E CB 1.247 30.991 29.700 0.074 0.000 1.148 1241 E HN 0.505 nan 8.360 nan 0.000 0.412 1242 I N 4.117 124.640 120.570 -0.078 0.000 2.339 1242 I HA 0.422 4.592 4.170 -0.000 0.000 0.290 1242 I C -0.154 175.887 176.117 -0.126 0.000 0.994 1242 I CA -0.723 60.516 61.300 -0.101 0.000 1.191 1242 I CB 1.021 38.969 38.000 -0.088 0.000 1.343 1242 I HN 0.615 nan 8.210 nan 0.000 0.458 1243 R N 3.977 124.351 120.500 -0.210 0.000 2.922 1243 R HA 0.600 4.939 4.340 -0.000 0.000 0.256 1243 R C -1.217 174.890 176.300 -0.321 0.000 1.138 1243 R CA -1.034 54.880 56.100 -0.311 0.000 0.995 1243 R CB 0.250 30.218 30.300 -0.553 0.000 1.226 1243 R HN 0.323 nan 8.270 nan 0.000 0.481 1244 Y N 0.130 120.191 120.300 -0.399 0.000 3.027 1244 Y HA -0.113 4.437 4.550 -0.000 0.000 0.195 1244 Y C 0.999 176.368 175.900 -0.885 0.000 1.381 1244 Y CA 0.887 58.317 58.100 -1.116 0.000 1.015 1244 Y CB -2.414 35.524 38.460 -0.871 0.000 1.329 1244 Y HN 1.181 nan 8.280 nan 0.000 0.462 1245 G N -0.536 108.105 108.800 -0.265 0.000 2.386 1245 G HA2 0.151 4.111 3.960 -0.000 0.000 0.295 1245 G HA3 0.151 4.111 3.960 -0.000 0.000 0.295 1245 G C 1.179 176.104 174.900 0.041 0.000 0.979 1245 G CA 1.259 46.370 45.100 0.020 0.000 1.193 1245 G HN 2.326 nan 8.290 nan 0.000 0.508 1246 G N -1.202 107.596 108.800 -0.002 0.000 2.258 1246 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.274 1246 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.274 1246 G C 0.977 175.909 174.900 0.052 0.000 1.021 1246 G CA 1.274 46.386 45.100 0.020 0.000 0.798 1246 G HN 1.440 nan 8.290 nan 0.000 0.507 1247 T N -1.140 113.430 114.554 0.027 0.000 3.014 1247 T HA 0.447 4.797 4.350 -0.000 0.000 0.250 1247 T C 0.900 175.636 174.700 0.059 0.000 1.060 1247 T CA 1.226 63.377 62.100 0.085 0.000 1.040 1247 T CB 0.217 69.157 68.868 0.121 0.000 0.971 1247 T HN 0.806 nan 8.240 nan 0.000 0.497 1248 S N 0.815 116.503 115.700 -0.019 0.000 2.571 1248 S HA 0.655 5.125 4.470 -0.000 0.000 0.284 1248 S C -1.433 173.099 174.600 -0.112 0.000 1.128 1248 S CA -0.542 57.621 58.200 -0.063 0.000 0.970 1248 S CB 1.525 64.655 63.200 -0.117 0.000 1.039 1248 S HN -0.042 nan 8.310 nan 0.000 0.485 1249 V N 4.792 124.661 119.914 -0.075 0.000 2.487 1249 V HA 0.561 4.681 4.120 -0.000 0.000 0.298 1249 V C -0.611 175.430 176.094 -0.088 0.000 1.028 1249 V CA -0.648 61.600 62.300 -0.087 0.000 0.860 1249 V CB 1.755 33.532 31.823 -0.075 0.000 0.991 1249 V HN 0.772 nan 8.190 nan 0.000 0.427 1250 V N 6.523 126.377 119.914 -0.101 0.000 2.398 1250 V HA 0.561 4.681 4.120 -0.000 0.000 0.286 1250 V C -0.471 175.532 176.094 -0.152 0.000 1.026 1250 V CA -0.527 61.694 62.300 -0.132 0.000 0.868 1250 V CB 1.469 33.214 31.823 -0.130 0.000 0.982 1250 V HN 0.654 nan 8.190 nan 0.000 0.443 1251 L N 5.490 126.580 121.223 -0.222 0.000 2.341 1251 L HA 0.609 4.949 4.340 -0.000 0.000 0.278 1251 L C -0.994 175.730 176.870 -0.243 0.000 1.005 1251 L CA -0.360 54.343 54.840 -0.227 0.000 0.818 1251 L CB 1.416 43.285 42.059 -0.315 0.000 1.259 1251 L HN 0.458 nan 8.230 nan 0.000 0.418 1252 Y N 1.865 121.975 120.300 -0.316 0.000 2.377 1252 Y HA 0.651 5.201 4.550 -0.000 0.000 0.339 1252 Y C -0.720 174.943 175.900 -0.396 0.000 1.011 1252 Y CA -0.567 57.420 58.100 -0.188 0.000 1.093 1252 Y CB 1.528 39.893 38.460 -0.158 0.000 1.201 1252 Y HN 0.330 nan 8.280 nan 0.000 0.455 1253 Y N 0.507 120.883 120.300 0.127 0.000 2.536 1253 Y HA 0.253 4.803 4.550 -0.000 0.000 0.347 1253 Y C 0.701 176.772 175.900 0.284 0.000 1.000 1253 Y CA -1.255 56.917 58.100 0.120 0.000 1.051 1253 Y CB 1.410 39.924 38.460 0.091 0.000 1.259 1253 Y HN 0.554 nan 8.280 nan 0.000 0.468 1254 D N 0.954 121.626 120.400 0.453 0.000 2.144 1254 D HA -0.082 4.558 4.640 -0.000 0.000 0.199 1254 D C -0.254 176.263 176.300 0.362 0.000 0.984 1254 D CA 1.775 56.055 54.000 0.466 0.000 0.834 1254 D CB -0.016 41.021 40.800 0.395 0.000 0.955 1254 D HN 0.763 nan 8.370 nan 0.000 0.465 1255 N N -2.163 116.711 118.700 0.289 0.000 3.951 1255 N HA 0.260 5.000 4.740 -0.000 0.000 0.222 1255 N C -1.505 174.068 175.510 0.105 0.000 1.352 1255 N CA -0.605 52.544 53.050 0.166 0.000 0.852 1255 N CB 1.029 39.581 38.487 0.107 0.000 1.444 1255 N HN -0.227 nan 8.380 nan 0.000 0.473 1256 M N -0.237 119.357 119.600 -0.010 0.000 2.446 1256 M HA 0.700 5.180 4.480 -0.000 0.000 0.294 1256 M C -0.051 176.218 176.300 -0.052 0.000 1.158 1256 M CA -0.612 54.682 55.300 -0.010 0.000 0.899 1256 M CB 2.435 35.065 32.600 0.051 0.000 1.687 1256 M HN 0.869 nan 8.290 nan 0.000 0.455 1257 G N 0.101 108.928 108.800 0.044 0.000 3.135 1257 G HA2 0.391 4.350 3.960 -0.000 0.000 0.159 1257 G HA3 0.391 4.350 3.960 -0.000 0.000 0.159 1257 G C 0.551 175.507 174.900 0.094 0.000 1.244 1257 G CA -0.028 45.137 45.100 0.109 0.000 0.965 1257 G HN 0.717 nan 8.290 nan 0.000 0.599 1258 S N -0.056 115.679 115.700 0.059 0.000 2.562 1258 S HA 0.027 4.497 4.470 -0.000 0.000 0.221 1258 S C 0.952 175.566 174.600 0.023 0.000 0.975 1258 S CA 0.641 58.855 58.200 0.024 0.000 0.918 1258 S CB -0.384 62.817 63.200 0.002 0.000 0.772 1258 S HN 0.693 nan 8.310 nan 0.000 0.531 1259 E N 2.330 122.550 120.200 0.033 0.000 2.436 1259 E HA -0.051 4.299 4.350 -0.000 0.000 0.262 1259 E C -0.694 175.923 176.600 0.027 0.000 1.063 1259 E CA 0.027 56.446 56.400 0.032 0.000 0.944 1259 E CB 0.349 30.075 29.700 0.043 0.000 0.950 1259 E HN 0.345 nan 8.360 nan 0.000 0.444 1260 R N 3.152 123.665 120.500 0.023 0.000 2.204 1260 R HA 0.228 4.568 4.340 -0.000 0.000 0.341 1260 R C -0.676 175.639 176.300 0.025 0.000 1.035 1260 R CA -0.481 55.628 56.100 0.014 0.000 0.887 1260 R CB 0.017 30.318 30.300 0.003 0.000 1.114 1260 R HN 0.486 nan 8.270 nan 0.000 0.473 1261 N N 2.388 121.099 118.700 0.018 0.000 2.439 1261 N HA 0.158 4.898 4.740 -0.000 0.000 0.243 1261 N C -0.837 174.718 175.510 0.076 0.000 1.088 1261 N CA -0.065 53.021 53.050 0.060 0.000 0.940 1261 N CB 0.775 39.233 38.487 -0.049 0.000 1.180 1261 N HN 0.438 nan 8.380 nan 0.000 0.505 1262 c N 2.059 120.717 118.600 0.097 0.000 2.562 1262 c HA 0.806 5.376 4.570 -0.000 0.000 0.332 1262 c C -0.426 173.751 174.090 0.145 0.000 1.201 1262 c CA -0.986 55.343 56.329 0.001 0.000 1.803 1262 c CB -0.163 42.324 42.510 -0.038 0.000 2.328 1262 c HN 0.790 nan 8.230 nan 0.000 0.500 1263 F N -1.509 118.455 119.950 0.024 0.000 2.773 1263 F HA 0.670 5.197 4.527 -0.000 0.000 0.314 1263 F C -0.825 174.965 175.800 -0.016 0.000 1.160 1263 F CA -0.623 57.383 58.000 0.010 0.000 0.920 1263 F CB 0.986 39.998 39.000 0.019 0.000 1.323 1263 F HN 0.363 nan 8.300 nan 0.000 0.457 1264 T N 2.730 117.439 114.554 0.258 0.000 2.807 1264 T HA 0.593 4.943 4.350 -0.000 0.000 0.279 1264 T C -1.342 173.495 174.700 0.228 0.000 0.993 1264 T CA -0.474 61.700 62.100 0.123 0.000 0.970 1264 T CB 1.627 70.518 68.868 0.038 0.000 0.950 1264 T HN 0.819 nan 8.240 nan 0.000 0.441 1265 L N 3.172 124.493 121.223 0.163 0.000 2.296 1265 L HA 0.600 4.940 4.340 -0.000 0.000 0.286 1265 L C -0.366 176.511 176.870 0.011 0.000 1.023 1265 L CA -0.208 54.707 54.840 0.125 0.000 0.812 1265 L CB 1.218 43.382 42.059 0.174 0.000 1.223 1265 L HN 0.558 nan 8.230 nan 0.000 0.421 1266 T N 4.635 119.180 114.554 -0.015 0.000 2.767 1266 T HA 0.774 5.124 4.350 -0.000 0.000 0.284 1266 T C -0.321 174.294 174.700 -0.142 0.000 0.973 1266 T CA -0.330 61.707 62.100 -0.104 0.000 0.996 1266 T CB 1.381 70.184 68.868 -0.109 0.000 0.927 1266 T HN 0.724 nan 8.240 nan 0.000 0.456 1267 A N 3.273 125.974 122.820 -0.198 0.000 2.454 1267 A HA 0.828 5.148 4.320 -0.000 0.000 0.302 1267 A C -1.810 175.661 177.584 -0.188 0.000 1.079 1267 A CA -0.798 51.185 52.037 -0.088 0.000 0.731 1267 A CB 1.208 20.278 19.000 0.116 0.000 1.299 1267 A HN 0.792 nan 8.150 nan 0.000 0.413 1268 Y N 0.027 120.461 120.300 0.225 0.000 2.429 1268 Y HA 0.570 5.119 4.550 -0.000 0.000 0.342 1268 Y C 0.718 176.561 175.900 -0.095 0.000 1.004 1268 Y CA -0.529 57.651 58.100 0.133 0.000 1.075 1268 Y CB 1.762 40.279 38.460 0.095 0.000 1.214 1268 Y HN 0.735 nan 8.280 nan 0.000 0.455 1269 R N 3.032 123.407 120.500 -0.209 0.000 2.309 1269 R HA 0.160 4.500 4.340 -0.000 0.000 0.331 1269 R C 0.592 176.545 176.300 -0.580 0.000 1.116 1269 R CA 0.018 55.670 56.100 -0.747 0.000 0.970 1269 R CB 0.286 30.132 30.300 -0.758 0.000 1.024 1269 R HN 0.724 nan 8.270 nan 0.000 0.472 1270 R N 2.915 123.144 120.500 -0.452 0.000 2.237 1270 R HA 0.125 4.465 4.340 -0.000 0.000 0.195 1270 R C -0.321 175.442 176.300 -0.894 0.000 0.956 1270 R CA 0.664 56.404 56.100 -0.599 0.000 1.029 1270 R CB 0.430 30.391 30.300 -0.566 0.000 0.972 1270 R HN 0.346 nan 8.270 nan 0.000 0.493 1271 F N 0.266 120.088 119.950 -0.213 0.000 2.588 1271 F HA 0.379 4.906 4.527 -0.000 0.000 0.310 1271 F C -0.069 175.654 175.800 -0.127 0.000 1.082 1271 F CA -1.137 56.800 58.000 -0.106 0.000 0.929 1271 F CB 1.613 40.595 39.000 -0.031 0.000 1.254 1271 F HN -0.475 nan 8.300 nan 0.000 0.455 1272 K N 2.417 122.891 120.400 0.123 0.000 2.310 1272 K HA 0.563 4.883 4.320 -0.000 0.000 0.290 1272 K C -1.177 175.484 176.600 0.102 0.000 1.077 1272 K CA -0.254 56.078 56.287 0.076 0.000 0.922 1272 K CB 0.936 33.493 32.500 0.095 0.000 1.057 1272 K HN 0.332 nan 8.250 nan 0.000 0.479 1273 V N 2.178 122.142 119.914 0.083 0.000 2.577 1273 V HA 0.574 4.694 4.120 -0.000 0.000 0.303 1273 V C -0.504 175.639 176.094 0.080 0.000 1.042 1273 V CA -1.007 61.346 62.300 0.088 0.000 0.872 1273 V CB 1.692 33.575 31.823 0.099 0.000 0.998 1273 V HN 0.864 nan 8.190 nan 0.000 0.423 1274 A N 3.831 126.693 122.820 0.071 0.000 2.330 1274 A HA 0.917 5.237 4.320 -0.000 0.000 0.329 1274 A C 0.221 177.836 177.584 0.053 0.000 1.135 1274 A CA -0.813 51.261 52.037 0.062 0.000 0.817 1274 A CB 0.877 19.912 19.000 0.059 0.000 1.269 1274 A HN 1.460 nan 8.150 nan 0.000 0.469 1275 L N -0.518 120.732 121.223 0.045 0.000 3.634 1275 L HA -0.214 4.126 4.340 -0.000 0.000 0.423 1275 L C 0.543 177.434 176.870 0.034 0.000 1.253 1275 L CA 0.893 55.755 54.840 0.035 0.000 0.885 1275 L CB -2.155 39.923 42.059 0.031 0.000 1.789 1275 L HN 0.865 nan 8.230 nan 0.000 0.904 1276 K N 0.412 120.837 120.400 0.042 0.000 2.237 1276 K HA 0.579 4.899 4.320 -0.000 0.000 0.270 1276 K C 0.244 176.853 176.600 0.016 0.000 1.015 1276 K CA -0.782 55.528 56.287 0.038 0.000 0.949 1276 K CB 1.051 33.590 32.500 0.064 0.000 0.976 1276 K HN 0.182 nan 8.250 nan 0.000 0.472 1277 R N 1.714 122.219 120.500 0.010 0.000 2.531 1277 R HA 0.220 4.560 4.340 -0.000 0.000 0.273 1277 R C -1.993 174.286 176.300 -0.036 0.000 1.070 1277 R CA -1.730 54.368 56.100 -0.003 0.000 1.112 1277 R CB 0.232 30.538 30.300 0.011 0.000 1.049 1277 R HN 0.613 nan 8.270 nan 0.000 0.508 1278 P HA 0.043 nan 4.420 nan 0.000 0.271 1278 P C -1.052 176.161 177.300 -0.145 0.000 1.233 1278 P CA -0.063 62.967 63.100 -0.118 0.000 0.789 1278 P CB 0.724 32.382 31.700 -0.070 0.000 0.951 1279 A N 1.278 123.871 122.820 -0.378 0.000 2.373 1279 A HA 0.842 5.162 4.320 -0.000 0.000 0.291 1279 A C -0.981 176.492 177.584 -0.185 0.000 1.171 1279 A CA -0.415 51.399 52.037 -0.371 0.000 0.922 1279 A CB 0.718 19.335 19.000 -0.639 0.000 1.400 1279 A HN 0.678 nan 8.150 nan 0.000 0.474 1280 Y N -3.595 116.706 120.300 0.002 0.000 2.655 1280 Y HA 0.742 5.292 4.550 -0.000 0.000 0.336 1280 Y C -1.191 174.883 175.900 0.290 0.000 1.154 1280 Y CA -1.465 56.752 58.100 0.194 0.000 1.055 1280 Y CB 0.881 39.403 38.460 0.103 0.000 1.295 1280 Y HN 0.445 nan 8.280 nan 0.000 0.465 1281 V N 2.041 122.200 119.914 0.408 0.000 2.735 1281 V HA 0.712 4.831 4.120 -0.000 0.000 0.310 1281 V C -0.861 175.428 176.094 0.324 0.000 1.061 1281 V CA -0.848 61.608 62.300 0.261 0.000 0.913 1281 V CB 1.733 33.629 31.823 0.121 0.000 1.005 1281 V HN 0.755 nan 8.190 nan 0.000 0.428 1282 V N 4.070 124.157 119.914 0.288 0.000 2.769 1282 V HA 0.681 4.801 4.120 -0.000 0.000 0.312 1282 V C -0.605 175.579 176.094 0.148 0.000 1.061 1282 V CA -0.698 61.757 62.300 0.258 0.000 0.931 1282 V CB 2.231 34.260 31.823 0.343 0.000 1.010 1282 V HN 0.630 nan 8.190 nan 0.000 0.433 1283 V N 5.616 125.558 119.914 0.046 0.000 2.789 1283 V HA 0.884 5.004 4.120 -0.000 0.000 0.311 1283 V C -1.668 174.238 176.094 -0.312 0.000 1.073 1283 V CA -0.351 61.823 62.300 -0.211 0.000 0.921 1283 V CB 1.877 33.508 31.823 -0.319 0.000 1.009 1283 V HN 0.970 nan 8.190 nan 0.000 0.426 1284 Y N 2.130 122.120 120.300 -0.517 0.000 2.624 1284 Y HA 0.569 5.119 4.550 -0.000 0.000 0.334 1284 Y C -0.992 174.765 175.900 -0.239 0.000 1.155 1284 Y CA -1.329 56.506 58.100 -0.442 0.000 1.046 1284 Y CB 1.176 39.544 38.460 -0.153 0.000 1.316 1284 Y HN 0.598 nan 8.280 nan 0.000 0.457 1285 D N 1.586 122.103 120.400 0.195 0.000 2.325 1285 D HA 0.011 4.651 4.640 -0.000 0.000 0.251 1285 D C 0.165 176.633 176.300 0.279 0.000 1.196 1285 D CA 0.071 54.252 54.000 0.302 0.000 0.866 1285 D CB 0.681 41.741 40.800 0.433 0.000 1.101 1285 D HN 0.794 nan 8.370 nan 0.000 0.476 1286 Y N 4.178 124.505 120.300 0.045 0.000 2.165 1286 Y HA -0.273 4.277 4.550 -0.000 0.000 0.286 1286 Y C 0.953 176.724 175.900 -0.215 0.000 1.155 1286 Y CA 1.713 59.759 58.100 -0.090 0.000 1.164 1286 Y CB 0.006 38.264 38.460 -0.337 0.000 0.978 1286 Y HN 0.531 nan 8.280 nan 0.000 0.513 1287 Y N -1.327 119.104 120.300 0.218 0.000 2.466 1287 Y HA 0.150 4.700 4.550 -0.000 0.000 0.272 1287 Y C 0.371 176.268 175.900 -0.005 0.000 1.169 1287 Y CA 0.208 58.339 58.100 0.052 0.000 1.285 1287 Y CB 0.148 38.528 38.460 -0.134 0.000 1.078 1287 Y HN 0.022 nan 8.280 nan 0.000 0.523 1288 N N -0.339 118.448 118.700 0.144 0.000 2.710 1288 N HA 0.002 4.742 4.740 -0.000 0.000 0.244 1288 N C 0.459 176.055 175.510 0.142 0.000 1.321 1288 N CA 0.242 53.364 53.050 0.121 0.000 0.758 1288 N CB 0.324 38.887 38.487 0.128 0.000 1.284 1288 N HN 0.109 nan 8.380 nan 0.000 0.530 1289 T N -1.088 113.507 114.554 0.069 0.000 3.098 1289 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 1289 T C 1.267 176.013 174.700 0.077 0.000 1.145 1289 T CA 0.687 62.816 62.100 0.049 0.000 1.092 1289 T CB -0.061 68.728 68.868 -0.131 0.000 0.908 1289 T HN 0.164 nan 8.240 nan 0.000 0.526 1290 N N 1.473 120.233 118.700 0.100 0.000 2.289 1290 N HA 0.041 4.781 4.740 -0.000 0.000 0.184 1290 N C 0.416 176.057 175.510 0.218 0.000 1.016 1290 N CA 0.610 53.737 53.050 0.128 0.000 0.872 1290 N CB -0.367 38.184 38.487 0.108 0.000 0.973 1290 N HN 0.530 nan 8.380 nan 0.000 0.433 1291 L N 1.989 123.377 121.223 0.274 0.000 2.283 1291 L HA 0.273 4.613 4.340 -0.000 0.000 0.287 1291 L C -0.254 176.918 176.870 0.503 0.000 1.073 1291 L CA -0.546 54.544 54.840 0.416 0.000 0.822 1291 L CB -0.037 42.316 42.059 0.490 0.000 1.186 1291 L HN 0.232 nan 8.230 nan 0.000 0.436 1292 N N 2.443 121.416 118.700 0.455 0.000 3.185 1292 N HA 0.792 5.532 4.740 -0.000 0.000 0.238 1292 N C -1.604 174.068 175.510 0.270 0.000 1.451 1292 N CA -0.851 52.353 53.050 0.256 0.000 0.888 1292 N CB 1.723 40.342 38.487 0.219 0.000 1.413 1292 N HN 0.478 nan 8.380 nan 0.000 0.511 1293 A N 0.188 123.103 122.820 0.158 0.000 2.539 1293 A HA 0.812 5.132 4.320 -0.000 0.000 0.296 1293 A C -1.645 176.042 177.584 0.172 0.000 1.073 1293 A CA -0.677 51.461 52.037 0.168 0.000 0.700 1293 A CB 1.431 20.508 19.000 0.128 0.000 1.296 1293 A HN 0.745 nan 8.150 nan 0.000 0.405 1294 I N 1.120 121.806 120.570 0.194 0.000 2.607 1294 I HA 0.471 4.641 4.170 -0.000 0.000 0.290 1294 I C -1.597 174.614 176.117 0.157 0.000 1.129 1294 I CA -0.539 60.865 61.300 0.174 0.000 1.042 1294 I CB 1.917 39.990 38.000 0.122 0.000 1.242 1294 I HN 0.608 nan 8.210 nan 0.000 0.421 1295 K N 6.722 127.225 120.400 0.172 0.000 2.397 1295 K HA 0.471 4.791 4.320 -0.000 0.000 0.253 1295 K C -0.706 176.031 176.600 0.229 0.000 0.932 1295 K CA -0.504 55.877 56.287 0.156 0.000 0.795 1295 K CB 2.843 35.409 32.500 0.111 0.000 1.159 1295 K HN 0.502 nan 8.250 nan 0.000 0.424 1296 V N 0.971 121.001 119.914 0.192 0.000 2.863 1296 V HA 0.709 4.828 4.120 -0.000 0.000 0.307 1296 V C -0.856 175.391 176.094 0.254 0.000 1.061 1296 V CA -0.334 62.093 62.300 0.211 0.000 1.024 1296 V CB 0.814 32.706 31.823 0.114 0.000 1.049 1296 V HN 0.757 nan 8.190 nan 0.000 0.471 1297 Y N -0.227 120.103 120.300 0.049 0.000 2.571 1297 Y HA 0.841 5.391 4.550 -0.000 0.000 0.341 1297 Y C -0.865 175.032 175.900 -0.005 0.000 1.076 1297 Y CA -1.218 56.887 58.100 0.008 0.000 1.029 1297 Y CB 1.484 39.934 38.460 -0.018 0.000 1.308 1297 Y HN 0.748 nan 8.280 nan 0.000 0.461 1298 E N 1.606 121.808 120.200 0.003 0.000 2.256 1298 E HA 0.674 5.024 4.350 -0.000 0.000 0.267 1298 E C -1.434 175.160 176.600 -0.009 0.000 0.892 1298 E CA -1.278 55.075 56.400 -0.079 0.000 0.775 1298 E CB 3.054 32.740 29.700 -0.023 0.000 1.207 1298 E HN 0.565 nan 8.360 nan 0.000 0.420 1299 V N 1.881 121.760 119.914 -0.057 0.000 2.713 1299 V HA 0.103 4.223 4.120 -0.000 0.000 0.307 1299 V C -0.285 175.828 176.094 0.030 0.000 1.052 1299 V CA -0.845 61.449 62.300 -0.010 0.000 0.967 1299 V CB 1.711 33.481 31.823 -0.089 0.000 1.019 1299 V HN 0.677 nan 8.190 nan 0.000 0.459 1300 D N 2.967 123.396 120.400 0.048 0.000 2.661 1300 D HA -0.036 4.604 4.640 -0.000 0.000 0.244 1300 D C 0.301 176.634 176.300 0.056 0.000 1.196 1300 D CA 0.783 54.809 54.000 0.044 0.000 0.881 1300 D CB 0.209 41.031 40.800 0.036 0.000 1.141 1300 D HN 0.364 nan 8.370 nan 0.000 0.530 1301 K N 3.267 123.691 120.400 0.041 0.000 2.363 1301 K HA 0.032 4.352 4.320 -0.000 0.000 0.289 1301 K C 0.630 177.256 176.600 0.044 0.000 1.063 1301 K CA -0.179 56.134 56.287 0.044 0.000 0.967 1301 K CB 0.577 33.097 32.500 0.032 0.000 0.987 1301 K HN 0.354 nan 8.250 nan 0.000 0.473 1302 Q N 2.187 122.020 119.800 0.055 0.000 2.395 1302 Q HA -0.030 4.310 4.340 -0.000 0.000 0.271 1302 Q C -0.133 175.895 176.000 0.046 0.000 1.026 1302 Q CA 0.275 56.108 55.803 0.050 0.000 0.900 1302 Q CB 0.487 29.262 28.738 0.060 0.000 1.266 1302 Q HN 0.622 nan 8.270 nan 0.000 0.430 1303 N N 1.310 120.036 118.700 0.043 0.000 2.479 1303 N HA 0.116 4.856 4.740 -0.000 0.000 0.285 1303 N C 0.454 175.991 175.510 0.046 0.000 1.075 1303 N CA -0.532 52.542 53.050 0.040 0.000 0.967 1303 N CB 1.052 39.560 38.487 0.035 0.000 1.137 1303 N HN 0.443 nan 8.380 nan 0.000 0.472 1304 L N 2.348 123.597 121.223 0.045 0.000 2.127 1304 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 1304 L C 1.579 178.479 176.870 0.050 0.000 1.089 1304 L CA 1.633 56.503 54.840 0.049 0.000 0.757 1304 L CB -0.373 41.713 42.059 0.045 0.000 0.899 1304 L HN 0.810 nan 8.230 nan 0.000 0.434 1305 c N -0.854 117.772 118.600 0.044 0.000 2.448 1305 c HA -0.064 4.506 4.570 -0.000 0.000 0.280 1305 c C 2.601 176.718 174.090 0.045 0.000 1.398 1305 c CA 0.645 56.998 56.329 0.041 0.000 1.774 1305 c CB -0.956 41.574 42.510 0.034 0.000 1.888 1305 c HN 0.614 nan 8.230 nan 0.000 0.519 1306 E N 0.682 120.912 120.200 0.050 0.000 2.250 1306 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 1306 E C 1.861 178.501 176.600 0.067 0.000 0.986 1306 E CA 0.680 57.114 56.400 0.057 0.000 0.849 1306 E CB 0.117 29.852 29.700 0.058 0.000 0.797 1306 E HN 0.406 nan 8.360 nan 0.000 0.482 1307 I N 2.036 122.647 120.570 0.068 0.000 2.353 1307 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 1307 I C 1.714 177.878 176.117 0.079 0.000 1.119 1307 I CA 0.320 61.666 61.300 0.078 0.000 1.417 1307 I CB -1.415 36.632 38.000 0.077 0.000 1.078 1307 I HN 0.233 nan 8.210 nan 0.000 0.421 1308 c N 1.462 120.106 118.600 0.072 0.000 2.580 1308 c HA 0.443 5.013 4.570 -0.000 0.000 0.371 1308 c C 0.293 174.418 174.090 0.058 0.000 1.308 1308 c CA -1.236 55.136 56.329 0.072 0.000 2.428 1308 c CB 0.061 42.614 42.510 0.072 0.000 2.529 1308 c HN 0.515 nan 8.230 nan 0.000 0.657 1309 D N -0.270 120.160 120.400 0.050 0.000 2.253 1309 D HA 0.319 4.959 4.640 -0.000 0.000 0.249 1309 D C 0.497 176.817 176.300 0.034 0.000 1.049 1309 D CA -0.688 53.330 54.000 0.030 0.000 0.929 1309 D CB 0.543 41.346 40.800 0.004 0.000 1.176 1309 D HN 0.687 nan 8.370 nan 0.000 0.437 1310 E N 0.009 120.223 120.200 0.024 0.000 2.233 1310 E HA -0.270 4.080 4.350 -0.000 0.000 0.199 1310 E C 1.330 177.948 176.600 0.031 0.000 1.004 1310 E CA 1.413 57.828 56.400 0.025 0.000 0.819 1310 E CB -0.020 29.689 29.700 0.015 0.000 0.738 1310 E HN 0.592 nan 8.360 nan 0.000 0.478 1311 E N 0.250 120.471 120.200 0.036 0.000 2.031 1311 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 1311 E C 1.198 177.840 176.600 0.071 0.000 0.994 1311 E CA 1.537 57.968 56.400 0.053 0.000 0.800 1311 E CB 0.046 29.784 29.700 0.064 0.000 0.752 1311 E HN 0.427 nan 8.360 nan 0.000 0.447 1312 D N -1.094 119.361 120.400 0.092 0.000 2.349 1312 D HA 0.025 4.665 4.640 -0.000 0.000 0.214 1312 D C -0.248 176.095 176.300 0.070 0.000 1.063 1312 D CA -0.185 53.874 54.000 0.098 0.000 0.847 1312 D CB -0.309 40.596 40.800 0.174 0.000 0.933 1312 D HN -0.010 nan 8.370 nan 0.000 0.513 1313 c N 3.792 122.427 118.600 0.058 0.000 2.592 1313 c HA 0.196 4.766 4.570 -0.000 0.000 0.408 1313 c C -1.143 172.969 174.090 0.037 0.000 1.436 1313 c CA -1.161 55.197 56.329 0.048 0.000 1.595 1313 c CB -0.705 41.830 42.510 0.041 0.000 2.487 1313 c HN 0.405 nan 8.230 nan 0.000 0.610 1314 P HA 0.199 nan 4.420 nan 0.000 0.286 1314 P C 0.634 177.947 177.300 0.022 0.000 1.293 1314 P CA -0.072 63.044 63.100 0.027 0.000 0.770 1314 P CB 0.504 32.221 31.700 0.028 0.000 1.206 1315 A N 0.703 123.534 122.820 0.017 0.000 1.859 1315 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 1315 A C 1.104 178.697 177.584 0.015 0.000 1.198 1315 A CA 2.080 54.125 52.037 0.014 0.000 0.629 1315 A CB -1.763 17.244 19.000 0.011 0.000 0.830 1315 A HN 0.742 nan 8.150 nan 0.000 0.446 1316 E N -0.854 119.356 120.200 0.017 0.000 2.222 1316 E HA 0.430 4.780 4.350 -0.000 0.000 0.312 1316 E C -0.316 176.296 176.600 0.020 0.000 1.263 1316 E CA -0.252 56.158 56.400 0.017 0.000 1.356 1316 E CB -0.650 29.059 29.700 0.016 0.000 1.180 1316 E HN 0.334 nan 8.360 nan 0.000 0.494 1317 c N 0.500 119.112 118.600 0.020 0.000 3.292 1317 c HA 0.963 5.533 4.570 -0.000 0.000 0.369 1317 c C 0.478 174.580 174.090 0.019 0.000 1.664 1317 c CA 0.279 56.621 56.329 0.022 0.000 1.204 1317 c CB 1.363 43.889 42.510 0.026 0.000 1.978 1317 c HN 0.951 nan 8.230 nan 0.000 0.435 1318 G N 0.000 108.812 108.800 0.021 0.000 5.446 1318 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 1318 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1318 G CA 0.000 45.111 45.100 0.018 0.000 0.502 1318 G HN 0.000 nan 8.290 nan 0.000 0.925