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 3iyd_1_D DATA FIRST_RESID 15 DATA SEQUENCE EEFDAIKIAL ASPDMIRSWS FGEVKKPETI NYRTFKPERD GLFCARIFGP DATA SEQUENCE VKDYECLCGK YKRLKHRGVI CEKCGVEVTQ TKVRRERMGH IELASPTAHI DATA SEQUENCE WFLKSLPSRI GLLLDMPLRD IERVLYFESY VVIEGGMTNL ERQQILTEEQ DATA SEQUENCE YLDALEEFGD EFDAKMGAEA IQALLKSMDL EQECEQLREE LNETNSETKR DATA SEQUENCE KKLTKRIKLL EAFVQSGNKP EWMILTVLPV LPPDLRPLVP LDGGRFATSD DATA SEQUENCE LNDLYRRVIN RNNRLKRLLD LAAPDIIVRN EKRMLQEAVD ALLDNGRRGR DATA SEQUENCE AITGSNKRPL KSLADMIKGK QGRFRQNLLG KRVDYSGRSV ITVGPYLRLH DATA SEQUENCE QCGLPKKMAL ELFKPFIYGK LELRGLATTI KAAKKMVERE EAVVWDILDE DATA SEQUENCE VIREHPVLLN RAPTLHRLGI QAFEPVLIEG KAIQLHPLVC AAYNADFDGD DATA SEQUENCE QMAVHVPLTL EAQLEARALM MSTNNILSPA NGEPIIVPSQ DVVLGLYYMT DATA SEQUENCE RDCVNAKGEG MVLTGPKEAE RLYRSGLASL HARVKVRITE YEKDANGELV DATA SEQUENCE AKTSLKDTTV GRAILWMIVP KGLPYSIVNQ ALGKKAISKM LNTCYRILGL DATA SEQUENCE KPTVIFADQI MYTGFAYAAR SGASVGIDDM VIPEKKHEII SEAEAEVAEI DATA SEQUENCE QEQFQSGLVT AGERYNKVID IWAAANDRVS KAMMDNLQTE TVINRDGQEE DATA SEQUENCE KQVSFNSIYM MADSGARGSA AQIRQLAGMR GLMAKPDGSI IETPITANFR DATA SEQUENCE EGLNVLQYFI STHGARKGLA DTALKTANSG YLTRRLVDVA QDLVVTEDDC DATA SEQUENCE GTHEGIMMTP VIEGGDVKEP LRDRVLGRVT AEDVLKPGTA DILVPRNTLL DATA SEQUENCE HEQWCDLLEE NSVDAVKVRS VVSCDTDFGV CAHCYGRDLA RGHIINKGEA DATA SEQUENCE IGVIAAQSIG EPGTQLTMRT FHIGGAASRA AAESSIQVKN KGSIKLSNVK DATA SEQUENCE SVVNSSGKLV ITSRNTELKL IDEFGRTKES YKVPYGAVLA KGDGEQVAGG DATA SEQUENCE ETVANWDPHT MPVITEVSGF VRFTDMIDGQ TITRQTDELT GLSSLVVLDS DATA SEQUENCE AERTAGGKDL RPALKIVDAQ GNDVLIPGTD MPAQYFLPGK AIVQLEDGVQ DATA SEQUENCE ISSGDTLARI PQESGGTKDI TGGLPRVADL FEARRPKEPA ILAEISGIVS DATA SEQUENCE FGKETKGKRR LVITPVDGSD PYEEMIPKWR QLNVFEGERV ERGDVISDGP DATA SEQUENCE EAPHDILRLR GVHAVTRYIV NEVQDVYRLQ GVKINDKHIE VIVRQMLRKA DATA SEQUENCE TIVNAGSSDF LEGEQVEYSR VKIANRELEA NGKVGATYSR DLLGITKASL DATA SEQUENCE ATESFISAAS FQETTRVLTE AAVAGKRDEL RGLKENVIVG RLIPAGTGYA DATA SEQUENCE YHQDRMRRRA AGEAPAAP 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 15 E HA 0.000 nan 4.350 nan 0.000 0.291 15 E C 0.000 176.628 176.600 0.047 0.000 1.382 15 E CA 0.000 56.421 56.400 0.036 0.000 0.976 15 E CB 0.000 29.716 29.700 0.027 0.000 0.812 16 E N -0.074 120.163 120.200 0.060 0.000 2.439 16 E HA 0.494 4.847 4.350 0.004 0.000 0.279 16 E C -1.615 175.068 176.600 0.138 0.000 1.077 16 E CA -0.763 55.690 56.400 0.088 0.000 0.849 16 E CB 0.949 30.683 29.700 0.056 0.000 1.408 16 E HN 0.152 nan 8.360 nan 0.000 0.457 17 F N 1.017 120.965 119.950 -0.003 0.000 2.508 17 F HA 0.577 5.107 4.527 0.005 0.000 0.325 17 F C -0.480 175.317 175.800 -0.006 0.000 1.090 17 F CA -0.443 57.555 58.000 -0.003 0.000 0.945 17 F CB 1.582 40.579 39.000 -0.005 0.000 1.156 17 F HN 0.508 nan 8.300 nan 0.000 0.463 18 D N 2.535 122.466 120.400 -0.782 0.000 3.016 18 D HA 0.424 5.067 4.640 0.004 0.000 0.237 18 D C -0.360 175.610 176.300 -0.550 0.000 1.275 18 D CA 0.188 53.898 54.000 -0.485 0.000 1.231 18 D CB -0.403 40.188 40.800 -0.349 0.000 0.924 18 D HN 0.546 nan 8.370 nan 0.000 0.200 19 A N 0.175 122.710 122.820 -0.475 0.000 2.269 19 A HA 0.655 4.977 4.320 0.004 0.000 0.319 19 A C -0.501 176.999 177.584 -0.141 0.000 1.110 19 A CA -0.407 51.517 52.037 -0.189 0.000 0.847 19 A CB 0.687 19.639 19.000 -0.080 0.000 1.161 19 A HN 0.425 nan 8.150 nan 0.000 0.497 20 I N 0.159 120.852 120.570 0.205 0.000 2.509 20 I HA 0.495 4.668 4.170 0.004 0.000 0.293 20 I C -0.451 175.795 176.117 0.216 0.000 1.020 20 I CA -0.657 60.855 61.300 0.354 0.000 1.088 20 I CB 1.485 39.803 38.000 0.531 0.000 1.267 20 I HN 0.706 nan 8.210 nan 0.000 0.430 21 K N 7.201 127.679 120.400 0.130 0.000 2.182 21 K HA 0.546 4.868 4.320 0.004 0.000 0.262 21 K C -1.582 175.010 176.600 -0.013 0.000 0.957 21 K CA -0.668 55.642 56.287 0.038 0.000 0.842 21 K CB 1.765 34.275 32.500 0.016 0.000 1.099 21 K HN 0.589 nan 8.250 nan 0.000 0.438 22 I N 2.840 123.346 120.570 -0.106 0.000 2.498 22 I HA 0.629 4.802 4.170 0.004 0.000 0.290 22 I C -1.721 174.315 176.117 -0.135 0.000 1.032 22 I CA -0.237 60.967 61.300 -0.159 0.000 1.073 22 I CB 1.859 39.653 38.000 -0.343 0.000 1.251 22 I HN 0.771 nan 8.210 nan 0.000 0.426 23 A N 6.529 129.289 122.820 -0.099 0.000 2.612 23 A HA 0.660 4.983 4.320 0.004 0.000 0.293 23 A C -1.624 175.916 177.584 -0.073 0.000 1.075 23 A CA -0.709 51.277 52.037 -0.084 0.000 0.680 23 A CB 0.968 19.922 19.000 -0.077 0.000 1.279 23 A HN 0.583 nan 8.150 nan 0.000 0.411 24 L N 0.781 121.964 121.223 -0.067 0.000 2.492 24 L HA 0.369 4.712 4.340 0.004 0.000 0.280 24 L C 1.015 177.799 176.870 -0.142 0.000 1.240 24 L CA 0.730 55.526 54.840 -0.074 0.000 0.831 24 L CB 0.197 42.226 42.059 -0.049 0.000 1.100 24 L HN 0.959 nan 8.230 nan 0.000 0.505 25 A N 2.418 125.159 122.820 -0.130 0.000 2.292 25 A HA 0.615 4.937 4.320 0.004 0.000 0.319 25 A C -0.012 177.435 177.584 -0.229 0.000 1.206 25 A CA -0.352 51.606 52.037 -0.131 0.000 0.835 25 A CB 0.707 19.685 19.000 -0.037 0.000 1.164 25 A HN 0.708 nan 8.150 nan 0.000 0.505 26 S N 3.032 118.498 115.700 -0.391 0.000 2.549 26 S HA 0.495 4.968 4.470 0.004 0.000 0.297 26 S C -1.972 172.475 174.600 -0.255 0.000 1.115 26 S CA -1.061 56.790 58.200 -0.582 0.000 1.059 26 S CB 1.563 63.913 63.200 -1.416 0.000 1.046 26 S HN 0.546 nan 8.310 nan 0.000 0.506 27 P HA -0.112 nan 4.420 nan 0.000 0.218 27 P C 0.398 177.624 177.300 -0.123 0.000 1.146 27 P CA 1.101 64.177 63.100 -0.040 0.000 0.813 27 P CB 0.092 31.826 31.700 0.058 0.000 0.778 28 D N -1.805 118.501 120.400 -0.157 0.000 2.178 28 D HA -0.080 4.563 4.640 0.004 0.000 0.202 28 D C 1.810 177.931 176.300 -0.298 0.000 0.974 28 D CA 1.115 55.001 54.000 -0.189 0.000 0.841 28 D CB -0.390 40.317 40.800 -0.155 0.000 0.953 28 D HN 0.116 nan 8.370 nan 0.000 0.478 29 M N -0.048 119.335 119.600 -0.361 0.000 2.248 29 M HA 0.020 4.503 4.480 0.004 0.000 0.265 29 M C 2.151 178.048 176.300 -0.672 0.000 1.079 29 M CA 0.432 55.391 55.300 -0.568 0.000 1.150 29 M CB -0.476 31.847 32.600 -0.462 0.000 1.366 29 M HN 0.020 nan 8.290 nan 0.000 0.433 30 I N 0.400 120.860 120.570 -0.183 0.000 2.493 30 I HA -0.237 3.935 4.170 0.004 0.000 0.254 30 I C 2.273 178.368 176.117 -0.036 0.000 1.160 30 I CA 1.222 62.601 61.300 0.130 0.000 1.445 30 I CB -0.420 37.670 38.000 0.150 0.000 1.086 30 I HN 0.229 nan 8.210 nan 0.000 0.433 31 R N 0.571 120.952 120.500 -0.198 0.000 2.189 31 R HA -0.051 4.292 4.340 0.004 0.000 0.223 31 R C 2.242 178.385 176.300 -0.261 0.000 1.092 31 R CA 1.485 57.451 56.100 -0.223 0.000 0.989 31 R CB -0.276 29.882 30.300 -0.237 0.000 0.876 31 R HN 0.267 nan 8.270 nan 0.000 0.457 32 S N -0.649 114.804 115.700 -0.411 0.000 2.345 32 S HA -0.072 4.401 4.470 0.004 0.000 0.219 32 S C 1.359 175.658 174.600 -0.501 0.000 1.031 32 S CA 1.020 58.914 58.200 -0.510 0.000 0.984 32 S CB -0.311 62.453 63.200 -0.727 0.000 0.874 32 S HN 0.416 nan 8.310 nan 0.000 0.451 33 W N 1.924 123.061 121.300 -0.270 0.000 2.388 33 W HA 0.237 4.900 4.660 0.005 0.000 0.294 33 W C 1.704 177.906 176.519 -0.528 0.000 1.212 33 W CA 0.222 57.372 57.345 -0.325 0.000 1.271 33 W CB -1.292 28.061 29.460 -0.178 0.000 1.126 33 W HN 0.226 nan 8.180 nan 0.000 0.535 34 S N -0.305 115.308 115.700 -0.144 0.000 2.593 34 S HA 0.148 4.620 4.470 0.004 0.000 0.269 34 S C 0.331 174.680 174.600 -0.418 0.000 1.334 34 S CA -0.238 57.861 58.200 -0.167 0.000 1.015 34 S CB 0.778 64.075 63.200 0.161 0.000 0.912 34 S HN 0.012 nan 8.310 nan 0.000 0.541 35 F N 1.435 121.371 119.950 -0.023 0.000 2.752 35 F HA 0.461 4.990 4.527 0.004 0.000 0.310 35 F C 1.266 177.051 175.800 -0.025 0.000 1.097 35 F CA 0.378 58.361 58.000 -0.028 0.000 1.238 35 F CB 0.587 39.550 39.000 -0.063 0.000 1.061 35 F HN 0.748 nan 8.300 nan 0.000 0.591 36 G N -0.409 108.432 108.800 0.069 0.000 2.561 36 G HA2 0.423 4.385 3.960 0.004 0.000 0.310 36 G HA3 0.423 4.385 3.960 0.004 0.000 0.310 36 G C -1.891 172.801 174.900 -0.346 0.000 1.292 36 G CA -0.621 44.461 45.100 -0.031 0.000 0.811 36 G HN -0.086 nan 8.290 nan 0.000 0.482 37 E N -0.649 119.385 120.200 -0.276 0.000 2.266 37 E HA 0.550 4.902 4.350 0.004 0.000 0.268 37 E C -0.568 175.957 176.600 -0.124 0.000 0.879 37 E CA -0.865 55.321 56.400 -0.356 0.000 0.762 37 E CB 2.310 31.871 29.700 -0.232 0.000 1.199 37 E HN 0.693 nan 8.360 nan 0.000 0.422 38 V N 2.113 121.982 119.914 -0.076 0.000 2.465 38 V HA 0.467 4.589 4.120 0.004 0.000 0.279 38 V C -0.044 176.063 176.094 0.023 0.000 1.045 38 V CA -0.364 61.941 62.300 0.008 0.000 0.938 38 V CB 1.409 33.264 31.823 0.053 0.000 0.986 38 V HN 0.712 nan 8.190 nan 0.000 0.467 39 K N 1.832 122.248 120.400 0.027 0.000 2.474 39 K HA 0.338 4.661 4.320 0.004 0.000 0.202 39 K C 0.306 176.926 176.600 0.033 0.000 1.248 39 K CA 0.343 56.649 56.287 0.033 0.000 0.946 39 K CB 0.431 32.947 32.500 0.028 0.000 1.102 39 K HN 0.674 nan 8.250 nan 0.000 0.541 40 K N 2.551 122.968 120.400 0.028 0.000 2.284 40 K HA 0.149 4.471 4.320 0.004 0.000 0.287 40 K C -2.030 174.583 176.600 0.021 0.000 1.081 40 K CA -1.588 54.714 56.287 0.025 0.000 0.910 40 K CB 1.098 33.611 32.500 0.023 0.000 1.088 40 K HN -0.092 nan 8.250 nan 0.000 0.478 41 P HA -0.156 nan 4.420 nan 0.000 0.222 41 P C -0.448 176.862 177.300 0.018 0.000 1.147 41 P CA 0.942 64.058 63.100 0.027 0.000 0.790 41 P CB 0.256 31.977 31.700 0.035 0.000 0.780 42 E N 0.419 120.631 120.200 0.020 0.000 2.452 42 E HA 0.024 4.376 4.350 0.004 0.000 0.261 42 E C 1.510 178.132 176.600 0.037 0.000 0.987 42 E CA 0.427 56.841 56.400 0.023 0.000 0.926 42 E CB 0.140 29.852 29.700 0.019 0.000 0.934 42 E HN 0.286 nan 8.360 nan 0.000 0.452 43 T N 0.933 115.526 114.554 0.065 0.000 3.203 43 T HA 0.295 4.648 4.350 0.004 0.000 0.183 43 T C 1.090 175.867 174.700 0.127 0.000 0.730 43 T CA 0.132 62.336 62.100 0.174 0.000 2.473 43 T CB -0.246 68.766 68.868 0.240 0.000 2.163 43 T HN 0.524 nan 8.240 nan 0.000 0.381 44 I N -0.863 119.719 120.570 0.021 0.000 3.436 44 I HA 0.586 4.759 4.170 0.004 0.000 0.296 44 I C -0.610 175.436 176.117 -0.117 0.000 1.143 44 I CA -1.371 59.892 61.300 -0.062 0.000 1.009 44 I CB 1.916 39.828 38.000 -0.148 0.000 1.301 44 I HN 0.497 nan 8.210 nan 0.000 0.503 45 N N -0.343 118.271 118.700 -0.144 0.000 2.417 45 N HA 0.266 5.009 4.740 0.004 0.000 0.300 45 N C -0.183 175.133 175.510 -0.324 0.000 1.102 45 N CA -0.705 52.226 53.050 -0.198 0.000 0.886 45 N CB 1.514 39.876 38.487 -0.209 0.000 1.203 45 N HN 0.786 nan 8.380 nan 0.000 0.496 46 Y N 2.368 122.437 120.300 -0.385 0.000 2.523 46 Y HA 0.285 4.837 4.550 0.004 0.000 0.279 46 Y C 1.686 177.266 175.900 -0.534 0.000 1.139 46 Y CA 0.040 57.890 58.100 -0.417 0.000 1.296 46 Y CB -0.071 38.277 38.460 -0.186 0.000 1.045 46 Y HN 0.399 nan 8.280 nan 0.000 0.538 47 R N 0.919 120.811 120.500 -1.012 0.000 2.062 47 R HA -0.025 4.318 4.340 0.004 0.000 0.213 47 R C 2.044 178.014 176.300 -0.550 0.000 1.214 47 R CA 1.818 57.456 56.100 -0.770 0.000 0.951 47 R CB -1.065 28.848 30.300 -0.645 0.000 0.804 47 R HN 0.429 nan 8.270 nan 0.000 0.473 48 T N -1.548 112.821 114.554 -0.308 0.000 3.194 48 T HA 0.076 4.429 4.350 0.004 0.000 0.251 48 T C 0.277 175.065 174.700 0.147 0.000 1.132 48 T CA -0.093 61.985 62.100 -0.037 0.000 1.028 48 T CB -0.411 68.444 68.868 -0.023 0.000 0.976 48 T HN 0.338 nan 8.240 nan 0.000 0.535 49 F N 0.441 120.383 119.950 -0.014 0.000 3.093 49 F HA -0.182 4.347 4.527 0.004 0.000 0.287 49 F C 0.367 176.152 175.800 -0.024 0.000 0.882 49 F CA 0.380 58.391 58.000 0.017 0.000 1.063 49 F CB -2.173 36.866 39.000 0.065 0.000 1.097 49 F HN 0.278 nan 8.300 nan 0.000 0.604 50 K N 0.452 120.883 120.400 0.052 0.000 2.235 50 K HA 0.466 4.789 4.320 0.004 0.000 0.266 50 K C -2.326 174.273 176.600 -0.002 0.000 0.980 50 K CA -1.912 54.393 56.287 0.030 0.000 0.849 50 K CB 1.290 33.800 32.500 0.017 0.000 1.098 50 K HN -0.249 nan 8.250 nan 0.000 0.445 51 P HA -0.065 nan 4.420 nan 0.000 0.268 51 P C -0.597 176.719 177.300 0.027 0.000 1.208 51 P CA 0.077 63.194 63.100 0.028 0.000 0.777 51 P CB 0.515 32.254 31.700 0.066 0.000 0.875 52 E N 2.173 122.393 120.200 0.033 0.000 2.343 52 E HA 0.153 4.505 4.350 0.004 0.000 0.269 52 E C 0.223 176.844 176.600 0.035 0.000 1.047 52 E CA -0.370 56.044 56.400 0.023 0.000 0.874 52 E CB 0.413 30.124 29.700 0.019 0.000 1.033 52 E HN 0.234 nan 8.360 nan 0.000 0.409 53 R N 2.048 122.564 120.500 0.026 0.000 2.489 53 R HA 0.017 4.359 4.340 0.004 0.000 0.287 53 R C -0.240 176.081 176.300 0.035 0.000 1.053 53 R CA -0.011 56.108 56.100 0.031 0.000 1.036 53 R CB -0.371 29.941 30.300 0.021 0.000 0.966 53 R HN 0.451 nan 8.270 nan 0.000 0.432 54 D N 0.090 120.517 120.400 0.045 0.000 2.837 54 D HA -0.153 4.489 4.640 0.004 0.000 0.230 54 D C 0.660 176.987 176.300 0.045 0.000 1.152 54 D CA 1.820 55.847 54.000 0.046 0.000 0.736 54 D CB -1.076 39.743 40.800 0.031 0.000 1.084 54 D HN 0.792 nan 8.370 nan 0.000 0.429 55 G N -0.851 107.978 108.800 0.050 0.000 2.702 55 G HA2 0.533 4.495 3.960 0.004 0.000 0.254 55 G HA3 0.533 4.495 3.960 0.004 0.000 0.254 55 G C 1.160 176.053 174.900 -0.012 0.000 1.380 55 G CA -0.273 44.843 45.100 0.027 0.000 1.042 55 G HN 0.204 nan 8.290 nan 0.000 0.557 56 L N -1.504 119.654 121.223 -0.108 0.000 2.005 56 L HA 0.185 4.527 4.340 0.004 0.000 0.207 56 L C 1.635 178.096 176.870 -0.682 0.000 1.072 56 L CA 1.150 55.758 54.840 -0.387 0.000 0.744 56 L CB -0.108 41.641 42.059 -0.517 0.000 0.895 56 L HN 0.396 nan 8.230 nan 0.000 0.433 57 F N 0.405 120.184 119.950 -0.285 0.000 2.798 57 F HA 0.146 4.675 4.527 0.003 0.000 0.291 57 F C 1.184 176.896 175.800 -0.146 0.000 1.174 57 F CA -1.121 56.666 58.000 -0.355 0.000 1.392 57 F CB -0.704 38.156 39.000 -0.234 0.000 0.966 57 F HN 0.177 nan 8.300 nan 0.000 0.509 58 C N -0.132 119.224 119.300 0.093 0.000 2.634 58 C HA 0.488 4.950 4.460 0.004 0.000 0.417 58 C C 1.680 176.820 174.990 0.250 0.000 1.334 58 C CA -0.250 58.877 59.018 0.180 0.000 1.829 58 C CB 0.250 28.099 27.740 0.183 0.000 2.665 58 C HN 0.632 nan 8.230 nan 0.000 0.614 59 A N 2.559 125.468 122.820 0.147 0.000 2.178 59 A HA 0.106 4.429 4.320 0.004 0.000 0.211 59 A C 2.313 179.932 177.584 0.058 0.000 1.157 59 A CA 0.204 52.309 52.037 0.113 0.000 0.780 59 A CB -0.386 18.652 19.000 0.064 0.000 0.828 59 A HN 0.942 nan 8.150 nan 0.000 0.476 60 R N -0.389 120.144 120.500 0.055 0.000 2.148 60 R HA -0.030 4.312 4.340 0.004 0.000 0.227 60 R C 1.090 177.354 176.300 -0.059 0.000 1.103 60 R CA 1.317 57.415 56.100 -0.004 0.000 0.983 60 R CB -0.098 30.212 30.300 0.016 0.000 0.874 60 R HN 0.449 nan 8.270 nan 0.000 0.451 61 I N -1.895 118.658 120.570 -0.027 0.000 3.812 61 I HA 0.023 4.195 4.170 0.004 0.000 0.292 61 I C 1.316 177.313 176.117 -0.200 0.000 1.206 61 I CA 0.634 61.853 61.300 -0.135 0.000 1.370 61 I CB -0.634 37.227 38.000 -0.231 0.000 1.328 61 I HN -0.036 nan 8.210 nan 0.000 0.453 62 F N 2.040 121.993 119.950 0.004 0.000 2.710 62 F HA 0.440 4.969 4.527 0.004 0.000 0.298 62 F C 1.534 177.323 175.800 -0.018 0.000 1.137 62 F CA 0.685 58.695 58.000 0.016 0.000 1.444 62 F CB -0.247 38.763 39.000 0.016 0.000 1.111 62 F HN 0.220 nan 8.300 nan 0.000 0.580 63 G N 0.084 108.929 108.800 0.075 0.000 2.712 63 G HA2 -0.132 3.830 3.960 0.004 0.000 0.683 63 G HA3 -0.132 3.830 3.960 0.004 0.000 0.683 63 G C -2.942 171.974 174.900 0.027 0.000 1.320 63 G CA -1.604 43.491 45.100 -0.007 0.000 0.847 63 G HN -0.088 nan 8.290 nan 0.000 0.553 64 P HA 0.313 nan 4.420 nan 0.000 0.269 64 P C 1.138 178.445 177.300 0.010 0.000 1.217 64 P CA -0.160 62.937 63.100 -0.005 0.000 0.783 64 P CB 0.761 32.439 31.700 -0.038 0.000 0.898 65 V N 0.824 120.748 119.914 0.017 0.000 2.500 65 V HA -0.053 4.069 4.120 0.004 0.000 0.243 65 V C 1.109 177.205 176.094 0.002 0.000 1.039 65 V CA 1.564 63.872 62.300 0.014 0.000 1.053 65 V CB -0.867 30.965 31.823 0.015 0.000 0.695 65 V HN 0.585 nan 8.190 nan 0.000 0.463 66 K N 1.211 121.614 120.400 0.006 0.000 2.245 66 K HA 0.408 4.730 4.320 0.004 0.000 0.234 66 K C -1.053 175.551 176.600 0.006 0.000 1.021 66 K CA -0.765 55.527 56.287 0.009 0.000 0.898 66 K CB 0.617 33.130 32.500 0.021 0.000 1.163 66 K HN 0.164 nan 8.250 nan 0.000 0.459 67 D N 0.550 120.969 120.400 0.032 0.000 2.401 67 D HA -0.047 4.595 4.640 0.004 0.000 0.254 67 D C -0.558 175.841 176.300 0.164 0.000 1.192 67 D CA 0.045 54.077 54.000 0.054 0.000 0.885 67 D CB -0.280 40.609 40.800 0.147 0.000 1.147 67 D HN 0.619 nan 8.370 nan 0.000 0.478 68 Y N -0.327 119.986 120.300 0.021 0.000 3.001 68 Y HA -0.274 4.278 4.550 0.004 0.000 0.199 68 Y C 0.310 176.238 175.900 0.048 0.000 1.320 68 Y CA 1.232 59.350 58.100 0.031 0.000 0.974 68 Y CB -1.565 36.919 38.460 0.039 0.000 1.291 68 Y HN 0.738 nan 8.280 nan 0.000 0.465 69 E N -0.516 119.753 120.200 0.115 0.000 2.422 69 E HA 0.449 4.802 4.350 0.004 0.000 0.289 69 E C 0.124 176.765 176.600 0.067 0.000 0.985 69 E CA -0.493 55.973 56.400 0.110 0.000 0.812 69 E CB 0.835 30.596 29.700 0.103 0.000 1.226 69 E HN 0.331 nan 8.360 nan 0.000 0.419 70 C N 2.627 121.976 119.300 0.082 0.000 2.724 70 C HA 0.423 4.886 4.460 0.004 0.000 0.270 70 C C 1.834 176.851 174.990 0.046 0.000 2.271 70 C CA 0.195 59.249 59.018 0.059 0.000 1.857 70 C CB -1.203 26.588 27.740 0.085 0.000 1.917 70 C HN 0.861 nan 8.230 nan 0.000 0.551 71 L N -1.398 119.848 121.223 0.039 0.000 2.470 71 L HA 0.268 4.610 4.340 0.004 0.000 0.219 71 L C 2.028 178.914 176.870 0.027 0.000 1.071 71 L CA 0.681 55.541 54.840 0.034 0.000 0.850 71 L CB -1.006 41.074 42.059 0.034 0.000 1.040 71 L HN 0.722 nan 8.230 nan 0.000 0.475 72 C N 1.295 120.609 119.300 0.022 0.000 2.739 72 C HA 0.505 4.967 4.460 0.004 0.000 0.285 72 C C 1.595 176.586 174.990 0.001 0.000 1.301 72 C CA 0.782 59.804 59.018 0.007 0.000 1.700 72 C CB -0.747 26.993 27.740 0.000 0.000 2.147 72 C HN 0.851 nan 8.230 nan 0.000 0.510 73 G N -0.048 108.748 108.800 -0.007 0.000 2.419 73 G HA2 -0.021 3.941 3.960 0.004 0.000 0.228 73 G HA3 -0.021 3.941 3.960 0.004 0.000 0.228 73 G C 0.347 175.199 174.900 -0.080 0.000 1.177 73 G CA -0.287 44.801 45.100 -0.021 0.000 0.876 73 G HN 0.245 nan 8.290 nan 0.000 0.493 74 K N -0.306 120.017 120.400 -0.128 0.000 2.276 74 K HA 0.233 4.556 4.320 0.004 0.000 0.198 74 K C -0.079 176.133 176.600 -0.647 0.000 1.052 74 K CA 0.647 56.702 56.287 -0.387 0.000 0.984 74 K CB 0.387 32.621 32.500 -0.443 0.000 0.836 74 K HN 0.514 nan 8.250 nan 0.000 0.490 75 Y N 0.415 120.663 120.300 -0.086 0.000 2.327 75 Y HA 0.246 4.798 4.550 0.004 0.000 0.325 75 Y C 0.751 176.659 175.900 0.012 0.000 0.999 75 Y CA -0.719 57.317 58.100 -0.107 0.000 1.195 75 Y CB 1.828 40.133 38.460 -0.259 0.000 1.132 75 Y HN -0.236 nan 8.280 nan 0.000 0.455 76 K N 0.805 121.307 120.400 0.171 0.000 2.309 76 K HA 0.225 4.547 4.320 0.004 0.000 0.210 76 K C 0.630 177.322 176.600 0.154 0.000 1.114 76 K CA -0.219 56.149 56.287 0.136 0.000 0.912 76 K CB 0.233 32.779 32.500 0.076 0.000 1.198 76 K HN 0.407 nan 8.250 nan 0.000 0.471 77 R N 1.076 121.669 120.500 0.155 0.000 2.784 77 R HA 0.015 4.358 4.340 0.004 0.000 0.266 77 R C 0.758 177.122 176.300 0.107 0.000 1.044 77 R CA -0.006 56.158 56.100 0.106 0.000 1.151 77 R CB 0.164 30.511 30.300 0.077 0.000 1.037 77 R HN 0.059 nan 8.270 nan 0.000 0.478 78 L N 3.059 124.281 121.223 -0.002 0.000 2.610 78 L HA -0.020 4.322 4.340 0.004 0.000 0.232 78 L C 1.307 178.118 176.870 -0.098 0.000 1.149 78 L CA 1.291 56.063 54.840 -0.113 0.000 0.872 78 L CB -0.254 41.675 42.059 -0.218 0.000 0.992 78 L HN 0.564 nan 8.230 nan 0.000 0.447 79 K N -0.412 119.948 120.400 -0.066 0.000 2.152 79 K HA -0.080 4.242 4.320 0.004 0.000 0.206 79 K C 0.276 176.744 176.600 -0.219 0.000 1.048 79 K CA 0.887 57.075 56.287 -0.164 0.000 0.933 79 K CB -0.502 31.861 32.500 -0.227 0.000 0.721 79 K HN 0.481 nan 8.250 nan 0.000 0.447 80 H N 2.027 121.116 119.070 0.031 0.000 2.872 80 H HA 0.091 4.649 4.556 0.004 0.000 0.273 80 H C 1.456 176.802 175.328 0.031 0.000 1.205 80 H CA -0.173 55.890 56.048 0.025 0.000 1.342 80 H CB 0.772 30.549 29.762 0.024 0.000 1.469 80 H HN 0.099 nan 8.280 nan 0.000 0.487 81 R N 2.537 123.090 120.500 0.088 0.000 2.152 81 R HA -0.021 4.321 4.340 0.004 0.000 0.232 81 R C 0.387 176.791 176.300 0.173 0.000 1.117 81 R CA 0.965 57.130 56.100 0.108 0.000 0.981 81 R CB 0.083 30.413 30.300 0.050 0.000 0.870 81 R HN 0.606 nan 8.270 nan 0.000 0.451 82 G N 0.317 109.175 108.800 0.096 0.000 2.667 82 G HA2 0.289 4.252 3.960 0.004 0.000 0.244 82 G HA3 0.289 4.252 3.960 0.004 0.000 0.244 82 G C -1.992 172.881 174.900 -0.045 0.000 3.242 82 G CA -0.135 44.980 45.100 0.026 0.000 0.634 82 G HN 0.239 nan 8.290 nan 0.000 0.410 83 V N 5.127 124.951 119.914 -0.151 0.000 2.668 83 V HA 0.742 4.864 4.120 0.004 0.000 0.304 83 V C 0.386 176.286 176.094 -0.324 0.000 1.071 83 V CA -1.066 61.109 62.300 -0.208 0.000 0.894 83 V CB 1.395 33.102 31.823 -0.193 0.000 1.008 83 V HN 1.033 nan 8.190 nan 0.000 0.425 84 I N 4.435 124.894 120.570 -0.186 0.000 2.754 84 I HA 0.415 4.587 4.170 0.004 0.000 0.285 84 I C 0.389 176.439 176.117 -0.111 0.000 1.166 84 I CA -0.002 61.211 61.300 -0.145 0.000 1.417 84 I CB 0.757 38.710 38.000 -0.079 0.000 1.382 84 I HN 0.718 nan 8.210 nan 0.000 0.588 85 C N 4.947 124.235 119.300 -0.020 0.000 2.401 85 C HA 0.330 4.792 4.460 0.004 0.000 0.365 85 C C 1.379 176.416 174.990 0.078 0.000 1.250 85 C CA -0.286 58.816 59.018 0.139 0.000 2.131 85 C CB 0.662 28.547 27.740 0.243 0.000 2.445 85 C HN 0.978 nan 8.230 nan 0.000 0.550 86 E N 1.645 121.898 120.200 0.088 0.000 2.435 86 E HA -0.021 4.332 4.350 0.004 0.000 0.195 86 E C 1.590 178.212 176.600 0.036 0.000 1.029 86 E CA 0.616 57.046 56.400 0.049 0.000 0.865 86 E CB 0.126 29.854 29.700 0.047 0.000 0.833 86 E HN 0.619 nan 8.360 nan 0.000 0.510 87 K N -0.804 119.620 120.400 0.040 0.000 2.329 87 K HA 0.145 4.467 4.320 0.004 0.000 0.198 87 K C 1.367 177.982 176.600 0.024 0.000 1.085 87 K CA 0.673 56.974 56.287 0.023 0.000 0.961 87 K CB -0.286 32.219 32.500 0.008 0.000 0.971 87 K HN 0.122 nan 8.250 nan 0.000 0.502 88 C N -1.001 118.322 119.300 0.037 0.000 2.568 88 C HA 0.448 4.910 4.460 0.004 0.000 0.284 88 C C 1.502 176.504 174.990 0.020 0.000 1.338 88 C CA 0.380 59.417 59.018 0.032 0.000 1.724 88 C CB -0.356 27.412 27.740 0.047 0.000 2.131 88 C HN 0.667 nan 8.230 nan 0.000 0.513 89 G N 0.295 109.105 108.800 0.017 0.000 2.130 89 G HA2 -0.152 3.811 3.960 0.004 0.000 0.216 89 G HA3 -0.152 3.811 3.960 0.004 0.000 0.216 89 G C -0.231 174.646 174.900 -0.039 0.000 0.999 89 G CA 0.244 45.339 45.100 -0.007 0.000 0.686 89 G HN 0.449 nan 8.290 nan 0.000 0.515 90 V N 1.314 121.206 119.914 -0.036 0.000 2.495 90 V HA 0.557 4.679 4.120 0.004 0.000 0.298 90 V C 0.737 176.773 176.094 -0.097 0.000 1.031 90 V CA -0.529 61.729 62.300 -0.071 0.000 0.871 90 V CB 1.707 33.508 31.823 -0.035 0.000 0.988 90 V HN 0.629 nan 8.190 nan 0.000 0.432 91 E N 3.749 123.865 120.200 -0.139 0.000 2.435 91 E HA 0.377 4.729 4.350 0.004 0.000 0.254 91 E C -0.960 175.559 176.600 -0.136 0.000 1.289 91 E CA -0.615 55.696 56.400 -0.147 0.000 0.983 91 E CB 0.914 30.521 29.700 -0.155 0.000 1.010 91 E HN 0.308 nan 8.360 nan 0.000 0.509 92 V N 1.752 121.586 119.914 -0.132 0.000 2.275 92 V HA 0.283 4.406 4.120 0.004 0.000 0.272 92 V C -0.020 175.978 176.094 -0.159 0.000 1.028 92 V CA -0.053 62.187 62.300 -0.100 0.000 0.810 92 V CB 0.051 31.852 31.823 -0.036 0.000 1.043 92 V HN 0.860 nan 8.190 nan 0.000 0.453 93 T N 1.016 115.406 114.554 -0.273 0.000 2.742 93 T HA 0.616 4.968 4.350 0.004 0.000 0.282 93 T C -0.277 174.072 174.700 -0.586 0.000 1.025 93 T CA -0.856 60.990 62.100 -0.423 0.000 1.020 93 T CB 2.048 70.782 68.868 -0.222 0.000 1.317 93 T HN 0.450 nan 8.240 nan 0.000 0.538 94 Q N 0.534 120.026 119.800 -0.514 0.000 2.225 94 Q HA 0.272 4.615 4.340 0.004 0.000 0.177 94 Q C 0.912 176.815 176.000 -0.163 0.000 1.073 94 Q CA 0.115 55.707 55.803 -0.353 0.000 1.134 94 Q CB -0.767 27.849 28.738 -0.203 0.000 1.210 94 Q HN 0.952 nan 8.270 nan 0.000 0.599 95 T N -4.280 110.224 114.554 -0.084 0.000 3.086 95 T HA 0.152 4.504 4.350 0.004 0.000 0.250 95 T C 1.310 175.998 174.700 -0.020 0.000 1.074 95 T CA 0.276 62.352 62.100 -0.039 0.000 0.988 95 T CB 0.141 68.999 68.868 -0.018 0.000 0.988 95 T HN 0.626 nan 8.240 nan 0.000 0.530 96 K N 1.679 122.063 120.400 -0.027 0.000 2.186 96 K HA 0.055 4.378 4.320 0.004 0.000 0.202 96 K C 1.914 178.514 176.600 0.000 0.000 1.052 96 K CA 1.068 57.350 56.287 -0.009 0.000 0.965 96 K CB -0.055 32.440 32.500 -0.007 0.000 0.746 96 K HN 0.365 nan 8.250 nan 0.000 0.457 97 V N -0.091 119.818 119.914 -0.009 0.000 3.541 97 V HA 0.035 4.158 4.120 0.004 0.000 0.272 97 V C 1.783 177.901 176.094 0.039 0.000 1.215 97 V CA 0.907 63.213 62.300 0.011 0.000 1.176 97 V CB -0.536 31.283 31.823 -0.006 0.000 0.854 97 V HN 0.164 nan 8.190 nan 0.000 0.496 98 R N 2.481 123.006 120.500 0.042 0.000 2.127 98 R HA 0.032 4.374 4.340 0.004 0.000 0.217 98 R C 2.360 178.716 176.300 0.094 0.000 1.074 98 R CA 1.730 57.879 56.100 0.082 0.000 0.991 98 R CB -0.512 29.829 30.300 0.068 0.000 0.895 98 R HN 0.703 nan 8.270 nan 0.000 0.450 99 R N -0.447 120.087 120.500 0.057 0.000 2.276 99 R HA 0.073 4.416 4.340 0.004 0.000 0.203 99 R C -0.212 176.111 176.300 0.038 0.000 1.017 99 R CA 0.513 56.641 56.100 0.046 0.000 1.010 99 R CB -0.081 30.233 30.300 0.024 0.000 0.900 99 R HN 0.089 nan 8.270 nan 0.000 0.469 100 E N 1.323 121.549 120.200 0.043 0.000 2.504 100 E HA 0.255 4.607 4.350 0.004 0.000 0.253 100 E C -0.825 175.808 176.600 0.055 0.000 1.151 100 E CA -0.603 55.812 56.400 0.025 0.000 0.972 100 E CB 0.594 30.311 29.700 0.028 0.000 1.247 100 E HN 0.269 nan 8.360 nan 0.000 0.519 101 R N -0.893 119.625 120.500 0.030 0.000 3.169 101 R HA -0.241 4.101 4.340 0.004 0.000 0.589 101 R C -1.233 175.084 176.300 0.028 0.000 0.903 101 R CA 0.628 56.768 56.100 0.067 0.000 1.755 101 R CB -1.000 29.430 30.300 0.217 0.000 1.999 101 R HN 0.550 nan 8.270 nan 0.000 0.586 102 M N 0.144 119.750 119.600 0.010 0.000 3.163 102 M HA 0.689 5.171 4.480 0.004 0.000 0.287 102 M C 0.443 176.688 176.300 -0.092 0.000 1.323 102 M CA -0.272 55.017 55.300 -0.018 0.000 0.760 102 M CB 2.593 35.201 32.600 0.013 0.000 1.770 102 M HN 0.858 nan 8.290 nan 0.000 0.431 103 G N -1.367 107.397 108.800 -0.060 0.000 3.166 103 G HA2 0.829 4.791 3.960 0.004 0.000 0.267 103 G HA3 0.829 4.791 3.960 0.004 0.000 0.267 103 G C -1.660 173.293 174.900 0.088 0.000 1.256 103 G CA -0.343 44.701 45.100 -0.093 0.000 0.859 103 G HN 0.903 nan 8.290 nan 0.000 0.590 104 H N -2.126 116.964 119.070 0.033 0.000 2.902 104 H HA 0.618 5.176 4.556 0.004 0.000 0.297 104 H C -1.996 173.380 175.328 0.079 0.000 1.406 104 H CA -0.804 55.284 56.048 0.067 0.000 1.134 104 H CB 1.650 31.439 29.762 0.046 0.000 1.833 104 H HN 0.800 nan 8.280 nan 0.000 0.527 105 I N 1.492 122.221 120.570 0.264 0.000 2.563 105 I HA 0.148 4.321 4.170 0.004 0.000 0.285 105 I C -1.047 175.190 176.117 0.200 0.000 1.123 105 I CA -0.545 60.863 61.300 0.180 0.000 1.059 105 I CB 1.860 39.941 38.000 0.136 0.000 1.229 105 I HN 0.657 nan 8.210 nan 0.000 0.442 106 E N 7.837 128.156 120.200 0.199 0.000 2.161 106 E HA 0.201 4.553 4.350 0.004 0.000 0.263 106 E C -1.283 175.372 176.600 0.091 0.000 1.185 106 E CA 0.112 56.595 56.400 0.138 0.000 0.938 106 E CB 0.250 30.023 29.700 0.122 0.000 1.023 106 E HN 0.552 nan 8.360 nan 0.000 0.433 107 L N 4.460 125.731 121.223 0.080 0.000 2.278 107 L HA 0.287 4.630 4.340 0.004 0.000 0.287 107 L C 1.376 178.275 176.870 0.047 0.000 1.072 107 L CA -0.326 54.550 54.840 0.060 0.000 0.819 107 L CB 1.234 43.329 42.059 0.059 0.000 1.176 107 L HN 0.680 nan 8.230 nan 0.000 0.435 108 A N 2.431 125.275 122.820 0.040 0.000 1.972 108 A HA -0.100 4.223 4.320 0.004 0.000 0.219 108 A C 1.311 178.911 177.584 0.028 0.000 1.169 108 A CA 1.086 53.142 52.037 0.032 0.000 0.635 108 A CB -0.037 18.980 19.000 0.028 0.000 0.810 108 A HN 0.585 nan 8.150 nan 0.000 0.446 109 S N 0.586 116.304 115.700 0.030 0.000 2.438 109 S HA 0.537 5.009 4.470 0.004 0.000 0.316 109 S C -2.868 171.753 174.600 0.035 0.000 1.084 109 S CA -1.950 56.267 58.200 0.029 0.000 1.107 109 S CB 0.589 63.805 63.200 0.027 0.000 0.981 109 S HN 0.087 nan 8.310 nan 0.000 0.466 110 P HA 0.202 nan 4.420 nan 0.000 0.267 110 P C -0.982 176.352 177.300 0.056 0.000 1.200 110 P CA 0.054 63.179 63.100 0.042 0.000 0.772 110 P CB 0.532 32.249 31.700 0.030 0.000 0.855 111 T N 1.281 115.875 114.554 0.067 0.000 3.143 111 T HA 0.546 4.898 4.350 0.004 0.000 0.312 111 T C -0.391 174.366 174.700 0.096 0.000 0.986 111 T CA -0.453 61.691 62.100 0.074 0.000 1.024 111 T CB 1.210 70.109 68.868 0.050 0.000 1.030 111 T HN 0.424 nan 8.240 nan 0.000 0.448 112 A N 2.572 125.456 122.820 0.108 0.000 2.466 112 A HA 0.449 4.771 4.320 0.004 0.000 0.238 112 A C 0.145 177.827 177.584 0.163 0.000 1.074 112 A CA 0.076 52.196 52.037 0.139 0.000 0.774 112 A CB -0.094 18.994 19.000 0.147 0.000 1.015 112 A HN 0.931 nan 8.150 nan 0.000 0.498 113 H N -0.004 119.168 119.070 0.170 0.000 2.597 113 H HA 0.379 4.938 4.556 0.004 0.000 0.370 113 H C 0.892 176.363 175.328 0.238 0.000 1.281 113 H CA 0.695 56.901 56.048 0.263 0.000 1.422 113 H CB 0.617 30.662 29.762 0.472 0.000 1.524 113 H HN 0.498 nan 8.280 nan 0.000 0.607 114 I N 0.852 121.375 120.570 -0.079 0.000 3.708 114 I HA -0.018 4.154 4.170 0.004 0.000 0.302 114 I C 0.566 176.698 176.117 0.024 0.000 1.255 114 I CA -0.083 61.182 61.300 -0.060 0.000 1.362 114 I CB 0.184 38.058 38.000 -0.210 0.000 1.100 114 I HN 0.602 nan 8.210 nan 0.000 0.434 115 W N 0.074 121.450 121.300 0.126 0.000 3.077 115 W HA 0.059 4.720 4.660 0.003 0.000 0.245 115 W C 0.897 177.139 176.519 -0.462 0.000 1.316 115 W CA 0.456 57.707 57.345 -0.156 0.000 1.537 115 W CB -0.096 29.218 29.460 -0.244 0.000 1.131 115 W HN 0.087 nan 8.180 nan 0.000 0.695 116 F N -1.869 118.293 119.950 0.354 0.000 2.781 116 F HA 0.271 4.800 4.527 0.005 0.000 0.322 116 F C 1.403 177.293 175.800 0.149 0.000 1.108 116 F CA -0.109 58.030 58.000 0.232 0.000 1.179 116 F CB -0.305 38.835 39.000 0.233 0.000 1.072 116 F HN -0.219 nan 8.300 nan 0.000 0.545 117 L N -0.376 120.978 121.223 0.219 0.000 2.435 117 L HA 0.234 4.576 4.340 0.004 0.000 0.195 117 L C 1.962 178.862 176.870 0.050 0.000 1.072 117 L CA 0.457 55.370 54.840 0.123 0.000 0.833 117 L CB 0.127 42.222 42.059 0.060 0.000 1.081 117 L HN -0.245 nan 8.230 nan 0.000 0.485 118 K N 0.174 120.566 120.400 -0.014 0.000 2.459 118 K HA 0.186 4.508 4.320 0.004 0.000 0.193 118 K C 0.500 177.074 176.600 -0.045 0.000 1.030 118 K CA 0.143 56.401 56.287 -0.049 0.000 1.026 118 K CB 0.207 32.641 32.500 -0.111 0.000 0.809 118 K HN 0.135 nan 8.250 nan 0.000 0.504 119 S N 2.228 117.914 115.700 -0.023 0.000 3.483 119 S HA 0.162 4.634 4.470 0.004 0.000 0.274 119 S C 0.206 174.828 174.600 0.036 0.000 1.289 119 S CA -0.430 57.761 58.200 -0.014 0.000 0.938 119 S CB -0.308 62.877 63.200 -0.024 0.000 1.453 119 S HN 0.254 nan 8.310 nan 0.000 0.494 120 L N 4.120 125.358 121.223 0.025 0.000 2.525 120 L HA 0.188 4.531 4.340 0.004 0.000 0.278 120 L C -2.260 174.641 176.870 0.052 0.000 1.218 120 L CA -1.300 53.566 54.840 0.042 0.000 0.878 120 L CB 0.527 42.602 42.059 0.027 0.000 1.127 120 L HN 0.239 nan 8.230 nan 0.000 0.492 121 P HA 0.101 nan 4.420 nan 0.000 0.274 121 P C -0.867 176.495 177.300 0.103 0.000 1.231 121 P CA -0.407 62.740 63.100 0.077 0.000 0.790 121 P CB 1.058 32.807 31.700 0.081 0.000 0.951 122 S N 1.083 116.843 115.700 0.099 0.000 2.569 122 S HA 0.046 4.519 4.470 0.004 0.000 0.274 122 S C 0.868 175.560 174.600 0.154 0.000 1.353 122 S CA 0.163 58.437 58.200 0.122 0.000 1.023 122 S CB 0.003 63.263 63.200 0.100 0.000 0.876 122 S HN 0.352 nan 8.310 nan 0.000 0.540 123 R N 1.297 121.911 120.500 0.191 0.000 2.513 123 R HA 0.224 4.566 4.340 0.004 0.000 0.245 123 R C 1.158 177.529 176.300 0.118 0.000 0.908 123 R CA 0.054 56.280 56.100 0.210 0.000 1.023 123 R CB 0.150 30.659 30.300 0.348 0.000 1.338 123 R HN 0.726 nan 8.270 nan 0.000 0.575 124 I N -2.815 117.827 120.570 0.120 0.000 4.018 124 I HA 0.386 4.558 4.170 0.004 0.000 0.337 124 I C 0.725 176.874 176.117 0.053 0.000 1.327 124 I CA 0.742 62.084 61.300 0.071 0.000 1.100 124 I CB 0.595 38.663 38.000 0.113 0.000 1.025 124 I HN 0.066 nan 8.210 nan 0.000 0.396 125 G N 1.119 109.955 108.800 0.060 0.000 2.532 125 G HA2 0.090 4.052 3.960 0.004 0.000 0.198 125 G HA3 0.090 4.052 3.960 0.004 0.000 0.198 125 G C 1.226 176.144 174.900 0.031 0.000 1.301 125 G CA 0.326 45.453 45.100 0.044 0.000 0.651 125 G HN 0.263 nan 8.290 nan 0.000 0.972 126 L N 0.874 122.125 121.223 0.046 0.000 2.012 126 L HA 0.033 4.375 4.340 0.004 0.000 0.210 126 L C 2.142 179.024 176.870 0.020 0.000 1.073 126 L CA 1.122 55.988 54.840 0.043 0.000 0.748 126 L CB -0.060 42.039 42.059 0.068 0.000 0.891 126 L HN 0.036 nan 8.230 nan 0.000 0.431 127 L N -0.230 120.994 121.223 0.001 0.000 2.551 127 L HA -0.089 4.253 4.340 0.004 0.000 0.228 127 L C 1.480 178.320 176.870 -0.051 0.000 1.153 127 L CA 1.004 55.820 54.840 -0.039 0.000 0.851 127 L CB -0.936 41.054 42.059 -0.114 0.000 0.959 127 L HN 0.347 nan 8.230 nan 0.000 0.451 128 L N -0.693 120.509 121.223 -0.035 0.000 2.791 128 L HA 0.143 4.486 4.340 0.004 0.000 0.239 128 L C 0.974 177.830 176.870 -0.022 0.000 1.203 128 L CA 0.333 55.150 54.840 -0.038 0.000 1.002 128 L CB -0.294 41.742 42.059 -0.038 0.000 1.295 128 L HN 0.084 nan 8.230 nan 0.000 0.504 129 D N -1.608 118.784 120.400 -0.012 0.000 2.495 129 D HA -0.249 4.393 4.640 0.004 0.000 0.175 129 D C 0.513 176.815 176.300 0.004 0.000 1.040 129 D CA 1.140 55.137 54.000 -0.004 0.000 1.049 129 D CB -0.589 40.206 40.800 -0.009 0.000 1.105 129 D HN 0.105 nan 8.370 nan 0.000 0.457 130 M N 1.038 120.641 119.600 0.004 0.000 2.238 130 M HA 0.261 4.743 4.480 0.004 0.000 0.350 130 M C -1.458 174.855 176.300 0.023 0.000 1.321 130 M CA -1.346 53.962 55.300 0.012 0.000 1.097 130 M CB 0.591 33.199 32.600 0.013 0.000 1.713 130 M HN -0.102 nan 8.290 nan 0.000 0.455 131 P HA -0.145 nan 4.420 nan 0.000 0.203 131 P C 0.833 178.155 177.300 0.036 0.000 0.968 131 P CA 0.915 64.031 63.100 0.026 0.000 0.904 131 P CB 0.308 32.020 31.700 0.020 0.000 0.646 132 L N -3.766 117.480 121.223 0.038 0.000 3.188 132 L HA 0.290 4.633 4.340 0.004 0.000 0.327 132 L C 1.372 178.273 176.870 0.051 0.000 1.009 132 L CA 0.832 55.700 54.840 0.047 0.000 1.373 132 L CB 0.295 42.378 42.059 0.039 0.000 2.331 132 L HN 0.007 nan 8.230 nan 0.000 0.594 133 R N -0.235 120.291 120.500 0.043 0.000 2.771 133 R HA 0.010 4.352 4.340 0.004 0.000 0.177 133 R C 0.246 176.566 176.300 0.034 0.000 0.937 133 R CA 0.841 56.969 56.100 0.048 0.000 1.536 133 R CB 0.143 30.465 30.300 0.037 0.000 1.696 133 R HN 0.219 nan 8.270 nan 0.000 0.550 134 D N 0.770 121.180 120.400 0.017 0.000 2.332 134 D HA -0.009 4.633 4.640 0.004 0.000 0.244 134 D C 1.166 177.457 176.300 -0.014 0.000 1.136 134 D CA 0.274 54.273 54.000 -0.002 0.000 0.884 134 D CB 0.503 41.302 40.800 -0.002 0.000 0.906 134 D HN 0.296 nan 8.370 nan 0.000 0.520 135 I N -0.321 120.247 120.570 -0.004 0.000 5.422 135 I HA -0.047 4.126 4.170 0.004 0.000 0.352 135 I C -0.272 175.835 176.117 -0.016 0.000 1.144 135 I CA 0.319 61.605 61.300 -0.024 0.000 1.603 135 I CB 0.221 38.213 38.000 -0.013 0.000 1.902 135 I HN 0.083 nan 8.210 nan 0.000 0.651 136 E N 1.978 122.202 120.200 0.041 0.000 2.338 136 E HA 0.196 4.549 4.350 0.004 0.000 0.231 136 E C 1.084 177.849 176.600 0.274 0.000 1.231 136 E CA -0.131 56.333 56.400 0.105 0.000 1.490 136 E CB 0.431 30.210 29.700 0.132 0.000 1.360 136 E HN 0.370 nan 8.360 nan 0.000 0.435 137 R N -0.117 120.519 120.500 0.226 0.000 2.771 137 R HA 0.040 4.383 4.340 0.004 0.000 0.177 137 R C 1.305 177.833 176.300 0.381 0.000 0.937 137 R CA 0.433 56.747 56.100 0.357 0.000 1.536 137 R CB 0.430 30.868 30.300 0.231 0.000 1.696 137 R HN 0.182 nan 8.270 nan 0.000 0.550 138 V N 2.996 122.999 119.914 0.148 0.000 2.788 138 V HA -0.027 4.096 4.120 0.004 0.000 0.251 138 V C 1.855 177.943 176.094 -0.011 0.000 1.068 138 V CA 1.183 63.498 62.300 0.023 0.000 1.090 138 V CB 0.112 31.718 31.823 -0.362 0.000 0.710 138 V HN 0.400 nan 8.190 nan 0.000 0.467 139 L N -1.335 119.844 121.223 -0.074 0.000 2.376 139 L HA -0.014 4.328 4.340 0.004 0.000 0.219 139 L C 2.126 178.947 176.870 -0.081 0.000 1.133 139 L CA 1.749 56.549 54.840 -0.067 0.000 0.816 139 L CB -2.460 39.482 42.059 -0.195 0.000 0.933 139 L HN 0.407 nan 8.230 nan 0.000 0.449 140 Y N -0.689 119.630 120.300 0.031 0.000 2.395 140 Y HA 0.024 4.576 4.550 0.005 0.000 0.293 140 Y C 1.732 177.549 175.900 -0.137 0.000 1.123 140 Y CA 0.541 58.581 58.100 -0.101 0.000 1.227 140 Y CB -0.230 38.083 38.460 -0.244 0.000 1.012 140 Y HN 0.046 nan 8.280 nan 0.000 0.552 141 F N 0.457 120.527 119.950 0.199 0.000 2.280 141 F HA 0.044 4.574 4.527 0.004 0.000 0.185 141 F C 1.427 177.326 175.800 0.165 0.000 0.742 141 F CA -0.432 57.665 58.000 0.162 0.000 1.047 141 F CB -0.773 38.315 39.000 0.146 0.000 2.211 141 F HN -0.124 nan 8.300 nan 0.000 0.712 142 E N 0.401 120.870 120.200 0.450 0.000 2.416 142 E HA 0.149 4.501 4.350 0.004 0.000 0.254 142 E C -0.350 176.350 176.600 0.166 0.000 1.241 142 E CA -0.224 56.315 56.400 0.231 0.000 0.969 142 E CB -0.021 29.765 29.700 0.144 0.000 0.999 142 E HN 0.335 nan 8.360 nan 0.000 0.481 143 S N 0.627 116.310 115.700 -0.028 0.000 2.714 143 S HA -0.024 4.448 4.470 0.004 0.000 0.318 143 S C -0.924 173.517 174.600 -0.265 0.000 1.219 143 S CA -0.255 57.880 58.200 -0.109 0.000 1.175 143 S CB -0.633 62.473 63.200 -0.157 0.000 0.961 143 S HN 0.479 nan 8.310 nan 0.000 0.518 144 Y N 2.349 122.646 120.300 -0.004 0.000 2.628 144 Y HA 0.307 4.860 4.550 0.004 0.000 0.354 144 Y C -0.174 175.726 175.900 0.000 0.000 1.061 144 Y CA -0.961 57.142 58.100 0.005 0.000 1.251 144 Y CB 1.020 39.493 38.460 0.021 0.000 1.098 144 Y HN 0.573 nan 8.280 nan 0.000 0.626 145 V N 4.575 124.552 119.914 0.105 0.000 2.493 145 V HA 0.156 4.278 4.120 0.004 0.000 0.292 145 V C 0.315 176.530 176.094 0.201 0.000 1.016 145 V CA -0.164 62.214 62.300 0.129 0.000 1.097 145 V CB -0.060 31.855 31.823 0.155 0.000 0.947 145 V HN 0.431 nan 8.190 nan 0.000 0.479 146 V N 4.250 124.238 119.914 0.123 0.000 2.815 146 V HA 0.712 4.835 4.120 0.004 0.000 0.314 146 V C -0.332 175.767 176.094 0.008 0.000 1.064 146 V CA -1.194 61.161 62.300 0.091 0.000 0.952 146 V CB 1.931 33.767 31.823 0.020 0.000 1.020 146 V HN 0.598 nan 8.190 nan 0.000 0.439 147 I N 3.187 123.751 120.570 -0.011 0.000 2.474 147 I HA 0.381 4.553 4.170 0.004 0.000 0.287 147 I C 1.021 177.067 176.117 -0.118 0.000 1.048 147 I CA 0.551 61.759 61.300 -0.152 0.000 1.383 147 I CB 1.128 39.074 38.000 -0.091 0.000 1.412 147 I HN 1.030 nan 8.210 nan 0.000 0.531 148 E N 4.240 124.347 120.200 -0.156 0.000 2.474 148 E HA 0.288 4.640 4.350 0.004 0.000 0.215 148 E C 0.881 177.417 176.600 -0.106 0.000 0.867 148 E CA 0.353 56.687 56.400 -0.110 0.000 1.135 148 E CB 0.262 29.901 29.700 -0.102 0.000 1.147 148 E HN 0.665 nan 8.360 nan 0.000 0.534 149 G N 1.300 110.020 108.800 -0.133 0.000 2.529 149 G HA2 0.535 4.498 3.960 0.004 0.000 0.220 149 G HA3 0.535 4.498 3.960 0.004 0.000 0.220 149 G C 0.460 175.305 174.900 -0.091 0.000 1.976 149 G CA 0.165 45.201 45.100 -0.106 0.000 0.789 149 G HN 0.626 nan 8.290 nan 0.000 0.695 150 G N -1.309 107.430 108.800 -0.101 0.000 2.653 150 G HA2 0.231 4.193 3.960 0.004 0.000 0.656 150 G HA3 0.231 4.193 3.960 0.004 0.000 0.656 150 G C 0.097 174.972 174.900 -0.042 0.000 1.419 150 G CA 0.051 45.114 45.100 -0.062 0.000 0.862 150 G HN 0.327 nan 8.290 nan 0.000 0.639 151 M N 0.737 120.327 119.600 -0.016 0.000 2.100 151 M HA 0.285 4.767 4.480 0.004 0.000 0.254 151 M C 1.463 177.755 176.300 -0.012 0.000 1.106 151 M CA 1.942 57.238 55.300 -0.007 0.000 1.127 151 M CB -0.059 32.550 32.600 0.015 0.000 1.263 151 M HN 0.519 nan 8.290 nan 0.000 0.427 152 T N 0.944 115.492 114.554 -0.009 0.000 3.133 152 T HA 0.296 4.648 4.350 0.004 0.000 0.368 152 T C -0.855 173.838 174.700 -0.011 0.000 1.190 152 T CA -0.619 61.473 62.100 -0.013 0.000 1.282 152 T CB 0.155 69.014 68.868 -0.015 0.000 1.042 152 T HN 0.427 nan 8.240 nan 0.000 0.536 153 N N 2.898 121.592 118.700 -0.011 0.000 2.573 153 N HA -0.147 4.595 4.740 0.004 0.000 0.275 153 N C -0.886 174.622 175.510 -0.004 0.000 1.208 153 N CA 0.374 53.419 53.050 -0.009 0.000 0.688 153 N CB -0.938 37.543 38.487 -0.009 0.000 0.882 153 N HN 0.436 nan 8.380 nan 0.000 0.548 154 L N 0.666 121.889 121.223 -0.001 0.000 2.293 154 L HA 0.597 4.939 4.340 0.004 0.000 0.264 154 L C 0.849 177.726 176.870 0.010 0.000 1.029 154 L CA -0.498 54.349 54.840 0.011 0.000 0.897 154 L CB 0.447 42.522 42.059 0.026 0.000 1.497 154 L HN 0.320 nan 8.230 nan 0.000 0.495 155 E N -0.402 119.811 120.200 0.022 0.000 2.283 155 E HA 0.403 4.755 4.350 0.004 0.000 0.267 155 E C -0.251 176.358 176.600 0.014 0.000 1.045 155 E CA -0.156 56.255 56.400 0.019 0.000 0.884 155 E CB 0.704 30.421 29.700 0.028 0.000 1.106 155 E HN 0.209 nan 8.360 nan 0.000 0.408 156 R N 0.639 121.143 120.500 0.007 0.000 2.613 156 R HA 0.230 4.572 4.340 0.004 0.000 0.361 156 R C 0.268 176.570 176.300 0.002 0.000 1.072 156 R CA 0.154 56.252 56.100 -0.003 0.000 1.089 156 R CB 0.387 30.679 30.300 -0.014 0.000 1.343 156 R HN 0.455 nan 8.270 nan 0.000 0.571 157 Q N -0.866 118.943 119.800 0.015 0.000 2.279 157 Q HA 0.187 4.529 4.340 0.004 0.000 0.261 157 Q C -0.255 175.764 176.000 0.032 0.000 0.796 157 Q CA -0.078 55.735 55.803 0.017 0.000 0.971 157 Q CB 1.001 29.748 28.738 0.014 0.000 1.179 157 Q HN 0.265 nan 8.270 nan 0.000 0.505 158 Q N 2.081 121.908 119.800 0.046 0.000 2.311 158 Q HA 0.176 4.518 4.340 0.004 0.000 0.272 158 Q C 0.380 176.439 176.000 0.098 0.000 1.012 158 Q CA 0.069 55.912 55.803 0.067 0.000 0.891 158 Q CB 0.814 29.595 28.738 0.072 0.000 1.201 158 Q HN 0.318 nan 8.270 nan 0.000 0.391 159 I N -0.736 119.898 120.570 0.106 0.000 3.747 159 I HA 0.459 4.631 4.170 0.004 0.000 0.250 159 I C -0.366 175.861 176.117 0.183 0.000 1.364 159 I CA -0.881 60.509 61.300 0.149 0.000 0.808 159 I CB 0.609 38.705 38.000 0.159 0.000 1.706 159 I HN 0.395 nan 8.210 nan 0.000 0.795 160 L N 1.408 122.751 121.223 0.200 0.000 2.580 160 L HA 0.365 4.708 4.340 0.004 0.000 0.266 160 L C -0.862 176.071 176.870 0.106 0.000 0.955 160 L CA -0.035 54.895 54.840 0.150 0.000 0.886 160 L CB 1.651 43.835 42.059 0.208 0.000 1.263 160 L HN 0.823 nan 8.230 nan 0.000 0.406 161 T N 3.725 118.317 114.554 0.062 0.000 2.919 161 T HA 0.138 4.491 4.350 0.004 0.000 0.302 161 T C 1.284 175.989 174.700 0.009 0.000 1.031 161 T CA -0.439 61.671 62.100 0.016 0.000 1.127 161 T CB 1.084 69.961 68.868 0.015 0.000 0.952 161 T HN 0.488 nan 8.240 nan 0.000 0.540 162 E N 1.902 122.072 120.200 -0.049 0.000 2.160 162 E HA -0.187 4.165 4.350 0.004 0.000 0.195 162 E C 1.941 178.563 176.600 0.037 0.000 0.991 162 E CA 1.006 57.387 56.400 -0.031 0.000 0.810 162 E CB -0.008 29.626 29.700 -0.110 0.000 0.742 162 E HN 0.829 nan 8.360 nan 0.000 0.466 163 E N 0.785 120.987 120.200 0.003 0.000 2.150 163 E HA -0.175 4.177 4.350 0.004 0.000 0.193 163 E C 1.385 177.991 176.600 0.010 0.000 0.985 163 E CA 0.790 57.192 56.400 0.003 0.000 0.814 163 E CB 0.135 29.827 29.700 -0.014 0.000 0.752 163 E HN 0.280 nan 8.360 nan 0.000 0.466 164 Q N -1.059 118.751 119.800 0.017 0.000 2.320 164 Q HA -0.026 4.316 4.340 0.004 0.000 0.201 164 Q C 0.906 176.900 176.000 -0.010 0.000 0.910 164 Q CA -0.061 55.742 55.803 0.000 0.000 0.946 164 Q CB 0.286 29.026 28.738 0.003 0.000 1.062 164 Q HN 0.369 nan 8.270 nan 0.000 0.503 165 Y N 0.658 120.897 120.300 -0.101 0.000 2.201 165 Y HA -0.020 4.532 4.550 0.004 0.000 0.292 165 Y C 1.557 177.411 175.900 -0.077 0.000 1.119 165 Y CA 1.049 59.075 58.100 -0.124 0.000 1.127 165 Y CB 0.162 38.574 38.460 -0.079 0.000 1.019 165 Y HN 0.001 nan 8.280 nan 0.000 0.514 166 L N 0.297 121.555 121.223 0.057 0.000 2.465 166 L HA -0.099 4.244 4.340 0.004 0.000 0.224 166 L C 1.278 178.105 176.870 -0.072 0.000 1.145 166 L CA 1.278 56.108 54.840 -0.017 0.000 0.834 166 L CB -0.317 41.779 42.059 0.061 0.000 0.944 166 L HN 0.243 nan 8.230 nan 0.000 0.451 167 D N 0.030 120.386 120.400 -0.072 0.000 2.360 167 D HA 0.045 4.687 4.640 0.004 0.000 0.210 167 D C 1.343 177.631 176.300 -0.020 0.000 1.047 167 D CA 0.395 54.357 54.000 -0.064 0.000 0.854 167 D CB 0.506 41.253 40.800 -0.088 0.000 0.936 167 D HN 0.144 nan 8.370 nan 0.000 0.514 168 A N 0.084 122.848 122.820 -0.093 0.000 2.713 168 A HA 0.365 4.687 4.320 0.004 0.000 0.296 168 A C 1.189 178.667 177.584 -0.176 0.000 1.255 168 A CA -0.272 51.711 52.037 -0.089 0.000 0.955 168 A CB -0.257 18.627 19.000 -0.193 0.000 1.149 168 A HN 0.237 nan 8.150 nan 0.000 0.538 169 L N -1.680 119.450 121.223 -0.154 0.000 2.488 169 L HA 0.151 4.493 4.340 0.004 0.000 0.186 169 L C 2.120 178.953 176.870 -0.062 0.000 1.124 169 L CA 0.198 54.951 54.840 -0.145 0.000 0.838 169 L CB -0.422 41.535 42.059 -0.170 0.000 1.107 169 L HN 0.247 nan 8.230 nan 0.000 0.494 170 E N 0.939 121.116 120.200 -0.038 0.000 1.999 170 E HA -0.063 4.289 4.350 0.004 0.000 0.198 170 E C 0.601 177.205 176.600 0.008 0.000 0.960 170 E CA 0.726 57.118 56.400 -0.012 0.000 0.870 170 E CB -0.376 29.319 29.700 -0.008 0.000 0.827 170 E HN 0.335 nan 8.360 nan 0.000 0.511 171 E N -0.332 119.888 120.200 0.033 0.000 2.302 171 E HA 0.108 4.461 4.350 0.004 0.000 0.255 171 E C 0.416 177.114 176.600 0.163 0.000 1.099 171 E CA -0.865 55.575 56.400 0.067 0.000 0.929 171 E CB 0.964 30.703 29.700 0.065 0.000 1.203 171 E HN 0.256 nan 8.360 nan 0.000 0.459 172 F N -1.316 118.611 119.950 -0.038 0.000 2.732 172 F HA -0.239 4.290 4.527 0.004 0.000 0.443 172 F C 0.054 175.826 175.800 -0.047 0.000 0.572 172 F CA 1.964 59.940 58.000 -0.040 0.000 1.050 172 F CB -1.116 37.857 39.000 -0.046 0.000 1.665 172 F HN 0.835 nan 8.300 nan 0.000 0.278 173 G N -0.437 108.332 108.800 -0.051 0.000 2.694 173 G HA2 0.537 4.499 3.960 0.004 0.000 0.290 173 G HA3 0.537 4.499 3.960 0.004 0.000 0.290 173 G C -1.079 173.785 174.900 -0.060 0.000 1.386 173 G CA -0.030 45.003 45.100 -0.112 0.000 0.872 173 G HN 0.074 nan 8.290 nan 0.000 0.475 174 D N -0.793 119.584 120.400 -0.038 0.000 2.463 174 D HA 0.265 4.907 4.640 0.004 0.000 0.247 174 D C 1.568 177.884 176.300 0.026 0.000 1.240 174 D CA -0.347 53.650 54.000 -0.005 0.000 1.151 174 D CB 0.504 41.306 40.800 0.002 0.000 1.180 174 D HN 0.285 nan 8.370 nan 0.000 0.532 175 E N -0.101 120.129 120.200 0.050 0.000 2.030 175 E HA 0.044 4.397 4.350 0.004 0.000 0.189 175 E C 0.228 176.926 176.600 0.164 0.000 0.974 175 E CA -0.029 56.410 56.400 0.065 0.000 0.807 175 E CB 0.098 29.818 29.700 0.033 0.000 0.771 175 E HN 0.374 nan 8.360 nan 0.000 0.451 176 F N 2.234 122.167 119.950 -0.027 0.000 2.130 176 F HA -0.218 4.311 4.527 0.004 0.000 0.425 176 F C -0.559 175.251 175.800 0.017 0.000 1.184 176 F CA -0.228 57.767 58.000 -0.009 0.000 1.394 176 F CB -0.185 38.804 39.000 -0.019 0.000 2.171 176 F HN -0.090 nan 8.300 nan 0.000 0.741 177 D N 6.140 126.305 120.400 -0.393 0.000 2.429 177 D HA 0.431 5.073 4.640 0.004 0.000 0.253 177 D C 0.290 176.326 176.300 -0.439 0.000 1.294 177 D CA 0.900 54.718 54.000 -0.302 0.000 1.063 177 D CB 0.058 40.721 40.800 -0.228 0.000 1.096 177 D HN 0.734 nan 8.370 nan 0.000 0.516 178 A N 3.347 126.069 122.820 -0.163 0.000 2.371 178 A HA 0.600 4.923 4.320 0.004 0.000 0.257 178 A C 0.239 177.837 177.584 0.023 0.000 1.089 178 A CA -0.289 51.781 52.037 0.054 0.000 0.794 178 A CB 0.680 20.017 19.000 0.563 0.000 1.029 178 A HN 0.442 nan 8.150 nan 0.000 0.488 179 K N 0.735 121.146 120.400 0.017 0.000 2.587 179 K HA 0.403 4.725 4.320 0.004 0.000 0.276 179 K C 0.327 176.921 176.600 -0.010 0.000 0.956 179 K CA -0.626 55.656 56.287 -0.008 0.000 0.857 179 K CB 0.936 33.411 32.500 -0.041 0.000 1.431 179 K HN 0.734 nan 8.250 nan 0.000 0.420 180 M N 0.571 120.160 119.600 -0.017 0.000 2.165 180 M HA 0.399 4.881 4.480 0.004 0.000 0.186 180 M C 1.011 177.287 176.300 -0.040 0.000 0.956 180 M CA 0.906 56.193 55.300 -0.021 0.000 1.612 180 M CB -1.482 31.110 32.600 -0.014 0.000 0.986 180 M HN 0.570 nan 8.290 nan 0.000 0.783 181 G N -0.952 107.823 108.800 -0.042 0.000 2.549 181 G HA2 0.339 4.301 3.960 0.004 0.000 0.219 181 G HA3 0.339 4.301 3.960 0.004 0.000 0.219 181 G C 1.349 176.196 174.900 -0.089 0.000 1.677 181 G CA 0.699 45.733 45.100 -0.110 0.000 0.929 181 G HN 0.810 nan 8.290 nan 0.000 0.549 182 A N 0.115 122.951 122.820 0.027 0.000 2.125 182 A HA 0.024 4.347 4.320 0.004 0.000 0.219 182 A C 2.040 179.647 177.584 0.038 0.000 1.156 182 A CA 2.190 54.284 52.037 0.095 0.000 0.671 182 A CB -0.346 18.737 19.000 0.137 0.000 0.794 182 A HN 0.448 nan 8.150 nan 0.000 0.459 183 E N 0.005 120.211 120.200 0.009 0.000 2.347 183 E HA 0.109 4.461 4.350 0.004 0.000 0.196 183 E C 0.657 177.246 176.600 -0.019 0.000 1.008 183 E CA 0.879 57.278 56.400 -0.002 0.000 0.852 183 E CB -0.170 29.528 29.700 -0.004 0.000 0.783 183 E HN 0.443 nan 8.360 nan 0.000 0.505 184 A N 0.547 123.346 122.820 -0.034 0.000 2.923 184 A HA 0.553 4.875 4.320 0.004 0.000 0.343 184 A C 0.272 177.827 177.584 -0.048 0.000 1.199 184 A CA -0.441 51.566 52.037 -0.050 0.000 0.878 184 A CB -0.121 18.840 19.000 -0.066 0.000 1.104 184 A HN 0.379 nan 8.150 nan 0.000 0.483 185 I N -0.421 120.131 120.570 -0.030 0.000 5.419 185 I HA 0.004 4.176 4.170 0.004 0.000 0.373 185 I C 1.411 177.511 176.117 -0.028 0.000 1.069 185 I CA 0.446 61.736 61.300 -0.017 0.000 1.649 185 I CB -0.047 37.972 38.000 0.031 0.000 2.209 185 I HN 0.589 nan 8.210 nan 0.000 0.738 186 Q N 1.170 120.952 119.800 -0.031 0.000 2.297 186 Q HA 0.152 4.494 4.340 0.004 0.000 0.203 186 Q C 1.913 177.866 176.000 -0.077 0.000 0.931 186 Q CA 1.108 56.879 55.803 -0.054 0.000 0.885 186 Q CB 0.353 29.069 28.738 -0.036 0.000 0.991 186 Q HN 0.565 nan 8.270 nan 0.000 0.498 187 A N 0.417 123.198 122.820 -0.065 0.000 2.067 187 A HA -0.100 4.222 4.320 0.004 0.000 0.219 187 A C 1.747 179.282 177.584 -0.083 0.000 1.158 187 A CA 0.809 52.803 52.037 -0.072 0.000 0.661 187 A CB -0.216 18.748 19.000 -0.060 0.000 0.801 187 A HN 0.354 nan 8.150 nan 0.000 0.452 188 L N -0.640 120.534 121.223 -0.082 0.000 2.068 188 L HA -0.027 4.315 4.340 0.004 0.000 0.204 188 L C 2.395 179.200 176.870 -0.108 0.000 1.076 188 L CA 1.155 55.943 54.840 -0.087 0.000 0.753 188 L CB -0.737 41.276 42.059 -0.076 0.000 0.910 188 L HN 0.321 nan 8.230 nan 0.000 0.439 189 L N -0.326 120.821 121.223 -0.127 0.000 2.043 189 L HA -0.271 4.071 4.340 0.004 0.000 0.212 189 L C 2.564 179.321 176.870 -0.187 0.000 1.075 189 L CA 1.519 56.257 54.840 -0.172 0.000 0.752 189 L CB -0.547 41.392 42.059 -0.200 0.000 0.891 189 L HN 0.303 nan 8.230 nan 0.000 0.432 190 K N -0.687 119.610 120.400 -0.172 0.000 2.296 190 K HA -0.071 4.252 4.320 0.004 0.000 0.200 190 K C 1.377 177.901 176.600 -0.128 0.000 1.048 190 K CA 0.663 56.848 56.287 -0.169 0.000 0.966 190 K CB 0.210 32.616 32.500 -0.157 0.000 0.754 190 K HN 0.037 nan 8.250 nan 0.000 0.466 191 S N 0.682 116.316 115.700 -0.110 0.000 2.489 191 S HA 0.355 4.827 4.470 0.004 0.000 0.237 191 S C -0.679 173.870 174.600 -0.084 0.000 1.220 191 S CA -0.675 57.472 58.200 -0.088 0.000 1.231 191 S CB -0.122 63.032 63.200 -0.077 0.000 0.900 191 S HN 0.160 nan 8.310 nan 0.000 0.492 192 M N 1.363 120.907 119.600 -0.094 0.000 2.433 192 M HA 0.351 4.833 4.480 0.004 0.000 0.290 192 M C -1.820 174.430 176.300 -0.083 0.000 1.173 192 M CA -0.753 54.495 55.300 -0.086 0.000 0.905 192 M CB 2.240 34.782 32.600 -0.098 0.000 1.692 192 M HN 0.063 nan 8.290 nan 0.000 0.462 193 D N 2.273 122.635 120.400 -0.065 0.000 2.392 193 D HA 0.374 5.016 4.640 0.004 0.000 0.228 193 D C 0.483 176.754 176.300 -0.048 0.000 1.074 193 D CA -0.269 53.699 54.000 -0.054 0.000 0.838 193 D CB 1.127 41.903 40.800 -0.040 0.000 1.067 193 D HN 0.592 nan 8.370 nan 0.000 0.511 194 L N 2.667 123.861 121.223 -0.049 0.000 2.201 194 L HA -0.067 4.276 4.340 0.004 0.000 0.212 194 L C 1.977 178.840 176.870 -0.013 0.000 1.105 194 L CA 0.712 55.531 54.840 -0.036 0.000 0.775 194 L CB -0.133 41.908 42.059 -0.030 0.000 0.913 194 L HN 0.439 nan 8.230 nan 0.000 0.440 195 E N 0.582 120.775 120.200 -0.012 0.000 2.028 195 E HA -0.265 4.087 4.350 0.004 0.000 0.191 195 E C 2.134 178.731 176.600 -0.006 0.000 0.988 195 E CA 1.466 57.863 56.400 -0.004 0.000 0.799 195 E CB -0.007 29.690 29.700 -0.005 0.000 0.755 195 E HN 0.278 nan 8.360 nan 0.000 0.447 196 Q N 0.404 120.197 119.800 -0.012 0.000 2.083 196 Q HA -0.086 4.256 4.340 0.004 0.000 0.198 196 Q C 2.044 178.038 176.000 -0.010 0.000 0.969 196 Q CA 1.724 57.520 55.803 -0.011 0.000 0.838 196 Q CB -0.289 28.440 28.738 -0.015 0.000 0.900 196 Q HN 0.290 nan 8.270 nan 0.000 0.436 197 E N -0.423 119.767 120.200 -0.016 0.000 2.204 197 E HA -0.181 4.172 4.350 0.004 0.000 0.195 197 E C 1.865 178.461 176.600 -0.006 0.000 0.990 197 E CA 1.073 57.464 56.400 -0.015 0.000 0.821 197 E CB -0.392 29.291 29.700 -0.027 0.000 0.750 197 E HN 0.514 nan 8.360 nan 0.000 0.477 198 C N 0.874 120.174 119.300 -0.001 0.000 2.440 198 C HA -0.039 4.424 4.460 0.004 0.000 0.278 198 C C 2.230 177.226 174.990 0.010 0.000 1.295 198 C CA 1.043 60.067 59.018 0.010 0.000 1.738 198 C CB -0.755 26.994 27.740 0.016 0.000 1.987 198 C HN 0.398 nan 8.230 nan 0.000 0.492 199 E N -0.383 119.821 120.200 0.006 0.000 2.371 199 E HA -0.127 4.225 4.350 0.004 0.000 0.194 199 E C 2.224 178.827 176.600 0.005 0.000 1.012 199 E CA 0.540 56.944 56.400 0.006 0.000 0.860 199 E CB -0.109 29.593 29.700 0.003 0.000 0.811 199 E HN 0.739 nan 8.360 nan 0.000 0.502 200 Q N -0.006 119.796 119.800 0.003 0.000 2.172 200 Q HA -0.037 4.306 4.340 0.004 0.000 0.200 200 Q C 1.604 177.608 176.000 0.007 0.000 0.964 200 Q CA 0.668 56.473 55.803 0.002 0.000 0.855 200 Q CB 0.301 29.038 28.738 -0.002 0.000 0.918 200 Q HN 0.205 nan 8.270 nan 0.000 0.444 201 L N -0.152 121.077 121.223 0.010 0.000 2.554 201 L HA 0.102 4.445 4.340 0.004 0.000 0.225 201 L C 2.012 178.893 176.870 0.020 0.000 1.104 201 L CA 0.763 55.612 54.840 0.015 0.000 0.866 201 L CB -0.518 41.552 42.059 0.018 0.000 1.047 201 L HN 0.186 nan 8.230 nan 0.000 0.468 202 R N 0.452 120.963 120.500 0.017 0.000 2.153 202 R HA -0.070 4.272 4.340 0.004 0.000 0.218 202 R C 1.310 177.620 176.300 0.017 0.000 1.072 202 R CA 0.813 56.924 56.100 0.019 0.000 0.990 202 R CB 0.408 30.717 30.300 0.015 0.000 0.889 202 R HN 0.192 nan 8.270 nan 0.000 0.452 203 E N 0.616 120.825 120.200 0.015 0.000 2.489 203 E HA -0.020 4.332 4.350 0.004 0.000 0.193 203 E C -0.359 176.251 176.600 0.017 0.000 1.057 203 E CA 0.421 56.829 56.400 0.014 0.000 0.866 203 E CB 0.604 30.310 29.700 0.010 0.000 0.916 203 E HN 0.446 nan 8.360 nan 0.000 0.500 204 E N 1.035 121.246 120.200 0.019 0.000 2.597 204 E HA 0.128 4.481 4.350 0.004 0.000 0.235 204 E C 0.227 176.844 176.600 0.029 0.000 1.155 204 E CA -0.050 56.362 56.400 0.021 0.000 1.199 204 E CB 0.151 29.862 29.700 0.018 0.000 1.409 204 E HN 0.012 nan 8.360 nan 0.000 0.453 205 L N -1.877 119.366 121.223 0.033 0.000 3.360 205 L HA 0.456 4.798 4.340 0.004 0.000 0.303 205 L C 0.788 177.687 176.870 0.049 0.000 1.218 205 L CA 0.046 54.914 54.840 0.047 0.000 1.059 205 L CB 0.004 42.094 42.059 0.052 0.000 1.468 205 L HN 0.051 nan 8.230 nan 0.000 0.614 206 N N 0.010 118.732 118.700 0.037 0.000 2.200 206 N HA 0.062 4.804 4.740 0.004 0.000 0.233 206 N C 1.310 176.835 175.510 0.026 0.000 1.236 206 N CA 0.831 53.902 53.050 0.035 0.000 0.845 206 N CB 0.596 39.102 38.487 0.032 0.000 1.257 206 N HN 0.325 nan 8.380 nan 0.000 0.472 207 E N -0.152 120.061 120.200 0.022 0.000 2.031 207 E HA -0.063 4.290 4.350 0.004 0.000 0.193 207 E C 0.296 176.905 176.600 0.016 0.000 0.994 207 E CA 1.453 57.863 56.400 0.017 0.000 0.800 207 E CB -0.102 29.607 29.700 0.014 0.000 0.752 207 E HN 0.464 nan 8.360 nan 0.000 0.447 208 T N -0.327 114.237 114.554 0.017 0.000 2.952 208 T HA 0.309 4.661 4.350 0.004 0.000 0.286 208 T C 0.053 174.763 174.700 0.016 0.000 1.024 208 T CA -1.172 60.937 62.100 0.014 0.000 1.029 208 T CB 1.307 70.183 68.868 0.013 0.000 1.094 208 T HN -0.202 nan 8.240 nan 0.000 0.515 209 N N 1.224 119.931 118.700 0.011 0.000 2.441 209 N HA 0.146 4.888 4.740 0.004 0.000 0.251 209 N C 0.079 175.592 175.510 0.006 0.000 1.242 209 N CA -0.141 52.914 53.050 0.008 0.000 0.898 209 N CB 0.744 39.232 38.487 0.002 0.000 1.100 209 N HN 0.717 nan 8.380 nan 0.000 0.443 210 S N 0.679 116.379 115.700 -0.000 0.000 4.139 210 S HA 0.108 4.580 4.470 0.004 0.000 0.215 210 S C 0.589 175.174 174.600 -0.025 0.000 1.390 210 S CA -0.104 58.091 58.200 -0.009 0.000 0.885 210 S CB -0.472 62.715 63.200 -0.022 0.000 1.560 210 S HN 0.626 nan 8.310 nan 0.000 0.449 211 E N 0.999 121.191 120.200 -0.014 0.000 2.067 211 E HA 0.026 4.378 4.350 0.004 0.000 0.219 211 E C 1.328 177.924 176.600 -0.007 0.000 1.054 211 E CA 0.647 57.037 56.400 -0.016 0.000 1.472 211 E CB -0.468 29.221 29.700 -0.019 0.000 3.768 211 E HN 0.383 nan 8.360 nan 0.000 1.006 212 T N -0.707 113.846 114.554 -0.002 0.000 3.009 212 T HA 0.189 4.541 4.350 0.004 0.000 0.258 212 T C 1.211 175.914 174.700 0.005 0.000 1.063 212 T CA 1.644 63.745 62.100 0.002 0.000 1.139 212 T CB 0.145 69.015 68.868 0.003 0.000 0.890 212 T HN 0.112 nan 8.240 nan 0.000 0.471 213 K N -1.090 119.314 120.400 0.008 0.000 2.703 213 K HA 0.274 4.596 4.320 0.004 0.000 0.196 213 K C 2.092 178.701 176.600 0.016 0.000 1.457 213 K CA -0.206 56.088 56.287 0.012 0.000 1.115 213 K CB -0.050 32.458 32.500 0.013 0.000 1.661 213 K HN -0.131 nan 8.250 nan 0.000 0.552 214 R N 2.753 123.263 120.500 0.017 0.000 2.159 214 R HA -0.062 4.280 4.340 0.004 0.000 0.237 214 R C 1.987 178.301 176.300 0.023 0.000 1.131 214 R CA 1.548 57.663 56.100 0.026 0.000 0.982 214 R CB -0.205 30.113 30.300 0.030 0.000 0.868 214 R HN -0.061 nan 8.270 nan 0.000 0.453 215 K N 0.630 121.035 120.400 0.009 0.000 2.113 215 K HA -0.184 4.138 4.320 0.004 0.000 0.208 215 K C 1.594 178.204 176.600 0.016 0.000 1.047 215 K CA 1.629 57.918 56.287 0.003 0.000 0.928 215 K CB -0.067 32.429 32.500 -0.006 0.000 0.716 215 K HN 0.138 nan 8.250 nan 0.000 0.446 216 K N 0.873 121.285 120.400 0.020 0.000 2.242 216 K HA 0.048 4.370 4.320 0.004 0.000 0.200 216 K C 2.152 178.773 176.600 0.035 0.000 1.050 216 K CA 0.275 56.578 56.287 0.027 0.000 0.981 216 K CB -0.017 32.497 32.500 0.023 0.000 0.795 216 K HN 0.161 nan 8.250 nan 0.000 0.477 217 L N 1.897 123.140 121.223 0.034 0.000 2.450 217 L HA -0.109 4.234 4.340 0.004 0.000 0.224 217 L C 2.141 179.041 176.870 0.050 0.000 1.149 217 L CA 1.512 56.376 54.840 0.039 0.000 0.816 217 L CB -0.846 41.234 42.059 0.035 0.000 0.932 217 L HN 0.253 nan 8.230 nan 0.000 0.449 218 T N -3.438 111.150 114.554 0.055 0.000 2.962 218 T HA -0.134 4.219 4.350 0.004 0.000 0.270 218 T C 1.505 176.245 174.700 0.067 0.000 1.088 218 T CA 0.784 62.926 62.100 0.070 0.000 1.127 218 T CB -0.100 68.816 68.868 0.079 0.000 0.883 218 T HN 0.118 nan 8.240 nan 0.000 0.493 219 K N -0.000 120.436 120.400 0.061 0.000 2.397 219 K HA 0.422 4.744 4.320 0.004 0.000 0.202 219 K C 1.824 178.468 176.600 0.073 0.000 1.022 219 K CA -0.121 56.206 56.287 0.067 0.000 1.141 219 K CB 0.476 33.015 32.500 0.065 0.000 0.857 219 K HN 0.153 nan 8.250 nan 0.000 0.514 220 R N 0.419 120.957 120.500 0.064 0.000 2.103 220 R HA 0.196 4.538 4.340 0.004 0.000 0.212 220 R C 1.648 177.989 176.300 0.068 0.000 1.107 220 R CA 0.719 56.856 56.100 0.061 0.000 1.025 220 R CB -0.364 29.962 30.300 0.044 0.000 0.929 220 R HN 0.153 nan 8.270 nan 0.000 0.456 221 I N 1.012 121.618 120.570 0.060 0.000 2.439 221 I HA -0.071 4.101 4.170 0.004 0.000 0.251 221 I C 1.237 177.394 176.117 0.066 0.000 1.139 221 I CA 1.488 62.822 61.300 0.057 0.000 1.438 221 I CB -0.037 37.990 38.000 0.045 0.000 1.085 221 I HN 0.118 nan 8.210 nan 0.000 0.427 222 K N 0.031 120.472 120.400 0.068 0.000 2.001 222 K HA -0.082 4.241 4.320 0.004 0.000 0.208 222 K C 2.077 178.726 176.600 0.082 0.000 1.048 222 K CA 1.663 57.988 56.287 0.064 0.000 0.932 222 K CB -0.388 32.148 32.500 0.060 0.000 0.715 222 K HN 0.300 nan 8.250 nan 0.000 0.437 223 L N 1.144 122.439 121.223 0.120 0.000 2.017 223 L HA -0.177 4.165 4.340 0.004 0.000 0.208 223 L C 2.587 179.645 176.870 0.314 0.000 1.073 223 L CA 0.949 55.904 54.840 0.192 0.000 0.745 223 L CB -0.487 41.725 42.059 0.255 0.000 0.894 223 L HN 0.207 nan 8.230 nan 0.000 0.432 224 L N 0.047 121.435 121.223 0.274 0.000 2.079 224 L HA -0.254 4.088 4.340 0.004 0.000 0.210 224 L C 2.602 179.612 176.870 0.234 0.000 1.081 224 L CA 1.498 56.510 54.840 0.287 0.000 0.752 224 L CB -0.234 41.900 42.059 0.126 0.000 0.896 224 L HN 0.329 nan 8.230 nan 0.000 0.433 225 E N -0.336 119.945 120.200 0.135 0.000 2.204 225 E HA -0.254 4.099 4.350 0.004 0.000 0.195 225 E C 1.989 178.621 176.600 0.054 0.000 0.990 225 E CA 1.028 57.476 56.400 0.080 0.000 0.821 225 E CB -0.034 29.695 29.700 0.048 0.000 0.750 225 E HN 0.668 nan 8.360 nan 0.000 0.477 226 A N 0.062 122.893 122.820 0.020 0.000 1.929 226 A HA -0.072 4.250 4.320 0.004 0.000 0.216 226 A C 1.725 179.225 177.584 -0.141 0.000 1.176 226 A CA 0.732 52.702 52.037 -0.111 0.000 0.628 226 A CB -0.626 18.228 19.000 -0.243 0.000 0.816 226 A HN 0.314 nan 8.150 nan 0.000 0.444 227 F N -0.386 119.579 119.950 0.026 0.000 2.365 227 F HA -0.074 4.455 4.527 0.004 0.000 0.300 227 F C 2.202 178.016 175.800 0.024 0.000 1.090 227 F CA 1.092 59.109 58.000 0.029 0.000 1.408 227 F CB -0.182 38.832 39.000 0.024 0.000 1.060 227 F HN 0.035 nan 8.300 nan 0.000 0.534 228 V N -0.692 119.327 119.914 0.175 0.000 2.379 228 V HA -0.174 3.948 4.120 0.004 0.000 0.243 228 V C 2.410 178.540 176.094 0.060 0.000 1.035 228 V CA 1.410 63.772 62.300 0.104 0.000 1.035 228 V CB -0.534 31.337 31.823 0.080 0.000 0.673 228 V HN 0.254 nan 8.190 nan 0.000 0.457 229 Q N 0.552 120.374 119.800 0.038 0.000 2.084 229 Q HA -0.106 4.236 4.340 0.004 0.000 0.202 229 Q C 1.506 177.511 176.000 0.008 0.000 0.978 229 Q CA 1.552 57.364 55.803 0.015 0.000 0.844 229 Q CB -0.102 28.636 28.738 -0.001 0.000 0.898 229 Q HN 0.560 nan 8.270 nan 0.000 0.426 230 S N -1.469 114.232 115.700 0.001 0.000 2.672 230 S HA 0.515 4.987 4.470 0.004 0.000 0.276 230 S C 0.258 174.879 174.600 0.034 0.000 1.207 230 S CA -0.147 58.051 58.200 -0.004 0.000 1.002 230 S CB 1.342 64.514 63.200 -0.046 0.000 0.998 230 S HN 0.341 nan 8.310 nan 0.000 0.542 231 G N 3.080 111.897 108.800 0.029 0.000 3.541 231 G HA2 0.247 4.209 3.960 0.004 0.000 0.253 231 G HA3 0.247 4.209 3.960 0.004 0.000 0.253 231 G C -0.130 174.826 174.900 0.094 0.000 1.017 231 G CA -0.433 44.700 45.100 0.054 0.000 1.832 231 G HN 0.571 nan 8.290 nan 0.000 0.649 232 N N 0.184 118.979 118.700 0.158 0.000 2.989 232 N HA 0.762 5.504 4.740 0.004 0.000 0.338 232 N C -0.644 175.098 175.510 0.386 0.000 1.369 232 N CA -0.690 52.532 53.050 0.286 0.000 0.794 232 N CB 1.272 39.929 38.487 0.283 0.000 1.359 232 N HN 0.110 nan 8.380 nan 0.000 0.609 233 K N -0.641 120.063 120.400 0.506 0.000 2.569 233 K HA 0.396 4.719 4.320 0.004 0.000 0.259 233 K C -2.397 174.143 176.600 -0.101 0.000 0.932 233 K CA -1.191 55.170 56.287 0.124 0.000 0.833 233 K CB 1.526 33.977 32.500 -0.081 0.000 1.340 233 K HN 0.089 nan 8.250 nan 0.000 0.429 234 P HA -0.200 nan 4.420 nan 0.000 0.217 234 P C -0.173 176.913 177.300 -0.357 0.000 1.151 234 P CA 1.224 64.061 63.100 -0.437 0.000 0.849 234 P CB 0.168 31.613 31.700 -0.425 0.000 0.787 235 E N -1.197 118.700 120.200 -0.505 0.000 2.545 235 E HA -0.066 4.286 4.350 0.004 0.000 0.271 235 E C 0.048 176.259 176.600 -0.647 0.000 1.508 235 E CA 0.083 56.165 56.400 -0.530 0.000 1.774 235 E CB -1.259 28.109 29.700 -0.553 0.000 1.460 235 E HN 0.500 nan 8.360 nan 0.000 0.449 236 W N -0.381 120.857 121.300 -0.104 0.000 2.555 236 W HA 0.218 4.881 4.660 0.004 0.000 0.324 236 W C 1.604 178.012 176.519 -0.185 0.000 0.973 236 W CA -0.574 56.704 57.345 -0.112 0.000 1.481 236 W CB 0.468 29.875 29.460 -0.087 0.000 1.064 236 W HN 0.033 nan 8.180 nan 0.000 0.543 237 M N 0.353 119.928 119.600 -0.041 0.000 2.419 237 M HA 0.063 4.546 4.480 0.004 0.000 0.264 237 M C 0.516 176.795 176.300 -0.036 0.000 1.082 237 M CA 1.041 56.214 55.300 -0.211 0.000 1.119 237 M CB -0.698 31.773 32.600 -0.214 0.000 1.398 237 M HN -0.217 nan 8.290 nan 0.000 0.453 238 I N 2.277 122.857 120.570 0.016 0.000 2.337 238 I HA 0.146 4.319 4.170 0.004 0.000 0.291 238 I C -0.359 175.817 176.117 0.097 0.000 1.046 238 I CA -0.815 60.523 61.300 0.063 0.000 1.324 238 I CB 0.262 38.276 38.000 0.024 0.000 1.409 238 I HN -0.031 nan 8.210 nan 0.000 0.494 239 L N 6.956 128.260 121.223 0.136 0.000 2.282 239 L HA 0.200 4.543 4.340 0.004 0.000 0.287 239 L C 1.674 178.611 176.870 0.113 0.000 1.075 239 L CA 0.115 55.041 54.840 0.142 0.000 0.839 239 L CB 0.768 42.952 42.059 0.207 0.000 1.219 239 L HN 0.697 nan 8.230 nan 0.000 0.434 240 T N -0.720 113.889 114.554 0.092 0.000 3.023 240 T HA 0.077 4.429 4.350 0.004 0.000 0.266 240 T C 0.622 175.371 174.700 0.082 0.000 1.093 240 T CA 0.746 62.890 62.100 0.073 0.000 1.129 240 T CB -0.116 68.784 68.868 0.053 0.000 0.899 240 T HN 0.287 nan 8.240 nan 0.000 0.491 241 V N -1.700 118.271 119.914 0.094 0.000 3.126 241 V HA 0.894 5.016 4.120 0.004 0.000 0.314 241 V C -1.365 174.815 176.094 0.142 0.000 1.138 241 V CA -1.731 60.642 62.300 0.122 0.000 1.034 241 V CB 1.963 33.848 31.823 0.103 0.000 1.075 241 V HN 0.178 nan 8.190 nan 0.000 0.442 242 L N 2.670 123.995 121.223 0.169 0.000 2.446 242 L HA 0.801 5.144 4.340 0.004 0.000 0.268 242 L C -2.781 174.207 176.870 0.196 0.000 0.975 242 L CA -1.757 53.182 54.840 0.165 0.000 0.848 242 L CB 1.726 43.862 42.059 0.127 0.000 1.225 242 L HN 0.581 nan 8.230 nan 0.000 0.410 243 P HA 0.151 nan 4.420 nan 0.000 0.269 243 P C -1.076 176.352 177.300 0.213 0.000 1.217 243 P CA -0.092 63.109 63.100 0.168 0.000 0.783 243 P CB 0.620 32.388 31.700 0.112 0.000 0.898 244 V N 3.072 123.100 119.914 0.189 0.000 2.513 244 V HA 0.211 4.333 4.120 0.004 0.000 0.299 244 V C 0.253 176.439 176.094 0.154 0.000 1.035 244 V CA -0.858 61.565 62.300 0.205 0.000 0.889 244 V CB 1.517 33.435 31.823 0.159 0.000 0.988 244 V HN 0.372 nan 8.190 nan 0.000 0.440 245 L N 8.227 129.524 121.223 0.123 0.000 2.410 245 L HA 0.388 4.730 4.340 0.004 0.000 0.273 245 L C -2.176 174.725 176.870 0.052 0.000 1.152 245 L CA -0.973 53.916 54.840 0.082 0.000 0.855 245 L CB 0.439 42.552 42.059 0.091 0.000 1.129 245 L HN 0.441 nan 8.230 nan 0.000 0.463 246 P HA 0.037 nan 4.420 nan 0.000 0.264 246 P C -2.185 175.137 177.300 0.037 0.000 1.183 246 P CA -0.732 62.434 63.100 0.111 0.000 0.763 246 P CB 0.036 31.789 31.700 0.088 0.000 0.807 247 P HA -0.152 nan 4.420 nan 0.000 0.223 247 P C 0.656 178.015 177.300 0.099 0.000 1.144 247 P CA 1.298 64.438 63.100 0.066 0.000 0.783 247 P CB 0.051 31.822 31.700 0.118 0.000 0.771 248 D N -1.232 119.208 120.400 0.067 0.000 2.183 248 D HA -0.047 4.596 4.640 0.004 0.000 0.203 248 D C 1.503 177.828 176.300 0.042 0.000 0.969 248 D CA 0.955 54.984 54.000 0.048 0.000 0.842 248 D CB -0.388 40.436 40.800 0.038 0.000 0.957 248 D HN 0.138 nan 8.370 nan 0.000 0.484 249 L N -0.371 120.878 121.223 0.043 0.000 2.509 249 L HA 0.135 4.478 4.340 0.004 0.000 0.222 249 L C 0.615 177.515 176.870 0.051 0.000 1.123 249 L CA 0.763 55.627 54.840 0.039 0.000 0.856 249 L CB 0.158 42.238 42.059 0.035 0.000 0.985 249 L HN -0.209 nan 8.230 nan 0.000 0.456 250 R N -0.891 119.650 120.500 0.068 0.000 2.674 250 R HA 0.275 4.617 4.340 0.004 0.000 0.270 250 R C -2.407 173.984 176.300 0.152 0.000 1.492 250 R CA -1.418 54.741 56.100 0.098 0.000 1.624 250 R CB 0.515 30.862 30.300 0.079 0.000 1.307 250 R HN -0.021 nan 8.270 nan 0.000 0.683 251 P HA 0.007 nan 4.420 nan 0.000 0.271 251 P C -0.598 176.689 177.300 -0.022 0.000 1.244 251 P CA -0.226 62.893 63.100 0.030 0.000 0.793 251 P CB 0.859 32.566 31.700 0.012 0.000 0.984 252 L N 0.473 121.617 121.223 -0.131 0.000 2.457 252 L HA 0.323 4.665 4.340 0.004 0.000 0.259 252 L C -1.579 175.260 176.870 -0.053 0.000 1.377 252 L CA -0.413 54.335 54.840 -0.153 0.000 0.887 252 L CB 0.652 42.433 42.059 -0.463 0.000 1.085 252 L HN -0.006 nan 8.230 nan 0.000 0.509 253 V N 2.835 122.759 119.914 0.017 0.000 2.495 253 V HA 0.486 4.609 4.120 0.004 0.000 0.298 253 V C -2.033 174.101 176.094 0.067 0.000 1.031 253 V CA -1.785 60.539 62.300 0.040 0.000 0.871 253 V CB 1.846 33.663 31.823 -0.010 0.000 0.988 253 V HN 0.454 nan 8.190 nan 0.000 0.432 254 P HA 0.005 nan 4.420 nan 0.000 0.264 254 P C 0.460 177.713 177.300 -0.079 0.000 1.183 254 P CA 0.197 63.245 63.100 -0.087 0.000 0.763 254 P CB 0.662 32.214 31.700 -0.248 0.000 0.807 255 L N 2.556 123.736 121.223 -0.072 0.000 2.046 255 L HA 0.199 4.541 4.340 0.004 0.000 0.203 255 L C 0.194 177.023 176.870 -0.068 0.000 1.111 255 L CA 2.091 56.901 54.840 -0.050 0.000 0.769 255 L CB -0.352 41.692 42.059 -0.026 0.000 0.914 255 L HN 0.409 nan 8.230 nan 0.000 0.448 256 D N -2.202 118.154 120.400 -0.073 0.000 2.871 256 D HA 0.427 5.069 4.640 0.004 0.000 0.209 256 D C -0.135 176.125 176.300 -0.067 0.000 1.292 256 D CA 0.679 54.638 54.000 -0.068 0.000 0.869 256 D CB 1.228 42.000 40.800 -0.047 0.000 1.663 256 D HN 0.553 nan 8.370 nan 0.000 0.557 257 G N 1.826 110.583 108.800 -0.071 0.000 2.141 257 G HA2 0.301 4.263 3.960 0.004 0.000 0.164 257 G HA3 0.301 4.263 3.960 0.004 0.000 0.164 257 G C 1.053 175.909 174.900 -0.073 0.000 1.009 257 G CA 0.681 45.746 45.100 -0.058 0.000 0.677 257 G HN 1.677 nan 8.290 nan 0.000 0.508 258 G N -0.540 108.193 108.800 -0.111 0.000 2.184 258 G HA2 -0.201 3.762 3.960 0.004 0.000 0.264 258 G HA3 -0.201 3.762 3.960 0.004 0.000 0.264 258 G C 0.875 175.598 174.900 -0.295 0.000 0.975 258 G CA 1.528 46.546 45.100 -0.138 0.000 0.642 258 G HN 1.695 nan 8.290 nan 0.000 0.536 259 R N -0.907 119.433 120.500 -0.268 0.000 2.650 259 R HA 0.814 5.157 4.340 0.004 0.000 0.232 259 R C 0.270 176.232 176.300 -0.563 0.000 1.247 259 R CA -0.204 55.747 56.100 -0.248 0.000 1.061 259 R CB 0.310 30.572 30.300 -0.064 0.000 1.279 259 R HN 0.299 nan 8.270 nan 0.000 0.549 260 F N -2.553 117.419 119.950 0.036 0.000 2.980 260 F HA 0.703 5.232 4.527 0.004 0.000 0.335 260 F C -0.958 174.850 175.800 0.013 0.000 1.210 260 F CA -0.888 57.134 58.000 0.036 0.000 0.986 260 F CB 1.998 41.021 39.000 0.039 0.000 1.469 260 F HN 0.746 nan 8.300 nan 0.000 0.519 261 A N 0.933 123.898 122.820 0.241 0.000 2.513 261 A HA 0.580 4.903 4.320 0.004 0.000 0.285 261 A C -1.207 176.429 177.584 0.087 0.000 1.047 261 A CA -0.393 51.716 52.037 0.119 0.000 0.864 261 A CB 1.137 20.180 19.000 0.071 0.000 1.373 261 A HN 0.643 nan 8.150 nan 0.000 0.403 262 T N 0.494 115.093 114.554 0.076 0.000 2.916 262 T HA 0.705 5.057 4.350 0.004 0.000 0.292 262 T C 0.016 174.762 174.700 0.077 0.000 1.055 262 T CA -0.023 62.120 62.100 0.072 0.000 1.009 262 T CB 1.579 70.490 68.868 0.072 0.000 1.118 262 T HN 1.222 nan 8.240 nan 0.000 0.497 263 S N 1.258 117.015 115.700 0.095 0.000 2.586 263 S HA 0.249 4.721 4.470 0.004 0.000 0.274 263 S C 0.669 175.320 174.600 0.084 0.000 1.281 263 S CA -0.503 57.748 58.200 0.084 0.000 1.035 263 S CB 0.530 63.783 63.200 0.089 0.000 0.962 263 S HN 0.727 nan 8.310 nan 0.000 0.512 264 D N 3.086 123.527 120.400 0.070 0.000 2.310 264 D HA -0.048 4.594 4.640 0.004 0.000 0.212 264 D C 1.665 178.012 176.300 0.078 0.000 0.965 264 D CA 0.472 54.510 54.000 0.065 0.000 0.879 264 D CB -0.148 40.682 40.800 0.049 0.000 0.921 264 D HN 0.513 nan 8.370 nan 0.000 0.510 265 L N 0.727 122.006 121.223 0.093 0.000 2.131 265 L HA -0.191 4.152 4.340 0.004 0.000 0.210 265 L C 1.400 178.385 176.870 0.193 0.000 1.092 265 L CA 1.045 55.960 54.840 0.125 0.000 0.759 265 L CB -0.073 42.066 42.059 0.132 0.000 0.903 265 L HN -0.068 nan 8.230 nan 0.000 0.435 266 N N -0.026 118.766 118.700 0.153 0.000 2.289 266 N HA -0.228 4.514 4.740 0.004 0.000 0.184 266 N C 1.417 177.028 175.510 0.169 0.000 1.016 266 N CA 1.382 54.518 53.050 0.144 0.000 0.872 266 N CB -0.461 38.077 38.487 0.084 0.000 0.973 266 N HN 0.381 nan 8.380 nan 0.000 0.433 267 D N 0.164 120.635 120.400 0.119 0.000 2.219 267 D HA -0.049 4.593 4.640 0.004 0.000 0.205 267 D C 1.153 177.496 176.300 0.070 0.000 0.970 267 D CA 0.400 54.450 54.000 0.083 0.000 0.851 267 D CB -0.018 40.815 40.800 0.055 0.000 0.943 267 D HN 0.081 nan 8.370 nan 0.000 0.488 268 L N -0.315 120.947 121.223 0.065 0.000 2.610 268 L HA 0.009 4.352 4.340 0.004 0.000 0.232 268 L C 1.093 177.869 176.870 -0.158 0.000 1.149 268 L CA 0.690 55.501 54.840 -0.049 0.000 0.872 268 L CB -0.466 41.535 42.059 -0.098 0.000 0.992 268 L HN 0.117 nan 8.230 nan 0.000 0.447 269 Y N -0.764 119.532 120.300 -0.006 0.000 2.558 269 Y HA 0.061 4.613 4.550 0.003 0.000 0.273 269 Y C 2.355 178.250 175.900 -0.008 0.000 1.100 269 Y CA 0.064 58.157 58.100 -0.011 0.000 1.276 269 Y CB 0.072 38.511 38.460 -0.037 0.000 1.196 269 Y HN 0.101 nan 8.280 nan 0.000 0.527 270 R N 0.215 120.797 120.500 0.137 0.000 2.276 270 R HA 0.055 4.397 4.340 0.004 0.000 0.203 270 R C 1.492 177.820 176.300 0.047 0.000 1.017 270 R CA 0.796 56.943 56.100 0.078 0.000 1.010 270 R CB -0.178 30.159 30.300 0.061 0.000 0.900 270 R HN 0.221 nan 8.270 nan 0.000 0.469 271 R N 0.539 121.058 120.500 0.032 0.000 2.064 271 R HA 0.047 4.390 4.340 0.004 0.000 0.221 271 R C 2.323 178.625 176.300 0.003 0.000 1.136 271 R CA 0.877 56.983 56.100 0.011 0.000 0.980 271 R CB -0.478 29.820 30.300 -0.003 0.000 0.876 271 R HN 0.053 nan 8.270 nan 0.000 0.437 272 V N 2.139 122.045 119.914 -0.013 0.000 2.453 272 V HA -0.226 3.897 4.120 0.004 0.000 0.252 272 V C 1.937 178.039 176.094 0.013 0.000 1.068 272 V CA 1.565 63.856 62.300 -0.016 0.000 1.070 272 V CB -0.329 31.463 31.823 -0.051 0.000 0.664 272 V HN 0.239 nan 8.190 nan 0.000 0.461 273 I N 0.743 121.331 120.570 0.030 0.000 2.226 273 I HA -0.214 3.958 4.170 0.004 0.000 0.245 273 I C 2.134 178.268 176.117 0.028 0.000 1.100 273 I CA 1.971 63.294 61.300 0.038 0.000 1.374 273 I CB -1.768 36.261 38.000 0.047 0.000 1.057 273 I HN 0.502 nan 8.210 nan 0.000 0.413 274 N N 0.406 119.119 118.700 0.023 0.000 2.515 274 N HA -0.060 4.682 4.740 0.004 0.000 0.185 274 N C 1.600 177.119 175.510 0.015 0.000 1.109 274 N CA 0.038 53.099 53.050 0.019 0.000 0.903 274 N CB 0.218 38.715 38.487 0.017 0.000 0.969 274 N HN 0.302 nan 8.380 nan 0.000 0.450 275 R N 0.381 120.888 120.500 0.013 0.000 2.173 275 R HA 0.074 4.416 4.340 0.004 0.000 0.208 275 R C 1.368 177.676 176.300 0.014 0.000 1.035 275 R CA 0.596 56.702 56.100 0.009 0.000 1.004 275 R CB -0.542 29.759 30.300 0.002 0.000 0.917 275 R HN 0.252 nan 8.270 nan 0.000 0.462 276 N N 1.750 120.461 118.700 0.019 0.000 2.349 276 N HA -0.116 4.627 4.740 0.004 0.000 0.180 276 N C 1.265 176.788 175.510 0.023 0.000 1.024 276 N CA 1.078 54.142 53.050 0.023 0.000 0.869 276 N CB -0.242 38.262 38.487 0.029 0.000 1.022 276 N HN 0.168 nan 8.380 nan 0.000 0.433 277 N N 0.820 119.534 118.700 0.023 0.000 2.443 277 N HA -0.170 4.572 4.740 0.004 0.000 0.184 277 N C 1.616 177.138 175.510 0.019 0.000 1.037 277 N CA 0.839 53.902 53.050 0.022 0.000 0.896 277 N CB -0.487 38.014 38.487 0.023 0.000 0.959 277 N HN 0.347 nan 8.380 nan 0.000 0.442 278 R N -0.406 120.104 120.500 0.017 0.000 2.093 278 R HA 0.105 4.447 4.340 0.004 0.000 0.224 278 R C 0.506 176.815 176.300 0.015 0.000 1.101 278 R CA 0.336 56.445 56.100 0.015 0.000 0.979 278 R CB -0.187 30.121 30.300 0.014 0.000 0.877 278 R HN 0.206 nan 8.270 nan 0.000 0.441 279 L N 1.740 122.973 121.223 0.016 0.000 2.998 279 L HA 0.194 4.537 4.340 0.004 0.000 0.234 279 L C -0.015 176.865 176.870 0.016 0.000 1.350 279 L CA 0.700 55.549 54.840 0.015 0.000 1.202 279 L CB 0.089 42.158 42.059 0.016 0.000 1.583 279 L HN 0.109 nan 8.230 nan 0.000 0.456 280 K N -0.454 119.956 120.400 0.016 0.000 2.665 280 K HA 0.330 4.652 4.320 0.004 0.000 0.197 280 K C 0.325 176.933 176.600 0.015 0.000 1.463 280 K CA -0.091 56.206 56.287 0.016 0.000 1.107 280 K CB 1.008 33.520 32.500 0.018 0.000 1.584 280 K HN 0.108 nan 8.250 nan 0.000 0.558 281 R N 0.932 121.441 120.500 0.014 0.000 2.718 281 R HA 0.367 4.709 4.340 0.004 0.000 0.307 281 R C 0.064 176.371 176.300 0.012 0.000 1.244 281 R CA 0.054 56.162 56.100 0.013 0.000 1.348 281 R CB 0.748 31.056 30.300 0.013 0.000 1.304 281 R HN 0.065 nan 8.270 nan 0.000 0.663 282 L N -1.316 119.914 121.223 0.012 0.000 2.126 282 L HA 0.224 4.567 4.340 0.004 0.000 0.236 282 L C 0.134 177.010 176.870 0.010 0.000 1.151 282 L CA 0.304 55.151 54.840 0.011 0.000 1.286 282 L CB 0.478 42.544 42.059 0.011 0.000 2.572 282 L HN 0.205 nan 8.230 nan 0.000 0.535 283 L N 0.095 121.324 121.223 0.011 0.000 2.577 283 L HA 0.146 4.488 4.340 0.004 0.000 0.225 283 L C 0.769 177.645 176.870 0.010 0.000 1.053 283 L CA 0.547 55.393 54.840 0.010 0.000 0.866 283 L CB 0.045 42.110 42.059 0.010 0.000 1.132 283 L HN 0.281 nan 8.230 nan 0.000 0.486 284 D N 1.252 121.659 120.400 0.011 0.000 2.344 284 D HA -0.023 4.620 4.640 0.004 0.000 0.242 284 D C 0.961 177.268 176.300 0.012 0.000 1.159 284 D CA 0.284 54.291 54.000 0.012 0.000 0.859 284 D CB 0.052 40.860 40.800 0.012 0.000 0.925 284 D HN 0.480 nan 8.370 nan 0.000 0.510 285 L N -6.371 114.860 121.223 0.012 0.000 4.269 285 L HA 0.651 4.993 4.340 0.004 0.000 0.423 285 L C 0.366 177.243 176.870 0.012 0.000 1.158 285 L CA 0.039 54.886 54.840 0.012 0.000 1.472 285 L CB -0.262 41.805 42.059 0.012 0.000 1.521 285 L HN -0.053 nan 8.230 nan 0.000 0.603 286 A N 0.731 123.557 122.820 0.011 0.000 1.703 286 A HA 0.786 5.108 4.320 0.004 0.000 0.211 286 A C 1.071 178.661 177.584 0.009 0.000 1.773 286 A CA 0.664 52.707 52.037 0.010 0.000 1.186 286 A CB -0.322 18.684 19.000 0.009 0.000 1.117 286 A HN 0.501 nan 8.150 nan 0.000 0.501 287 A N 1.462 124.287 122.820 0.009 0.000 2.511 287 A HA 0.484 4.806 4.320 0.004 0.000 0.242 287 A C -0.998 176.590 177.584 0.006 0.000 1.069 287 A CA -0.375 51.666 52.037 0.007 0.000 0.763 287 A CB -0.396 18.607 19.000 0.006 0.000 1.001 287 A HN 0.279 nan 8.150 nan 0.000 0.498 288 P HA -0.098 nan 4.420 nan 0.000 0.202 288 P C 0.539 177.839 177.300 0.000 0.000 1.149 288 P CA 1.868 64.972 63.100 0.005 0.000 0.931 288 P CB 0.290 31.991 31.700 0.003 0.000 0.762 289 D N -4.218 116.177 120.400 -0.008 0.000 1.926 289 D HA -0.062 4.581 4.640 0.004 0.000 0.677 289 D C 1.051 177.334 176.300 -0.028 0.000 0.730 289 D CA -0.027 53.960 54.000 -0.022 0.000 1.200 289 D CB -0.608 40.170 40.800 -0.037 0.000 1.355 289 D HN 0.028 nan 8.370 nan 0.000 0.422 290 I N 0.726 121.284 120.570 -0.021 0.000 3.444 290 I HA 0.106 4.278 4.170 0.004 0.000 0.287 290 I C 1.071 177.182 176.117 -0.010 0.000 1.302 290 I CA 0.697 61.984 61.300 -0.022 0.000 1.368 290 I CB -0.770 37.219 38.000 -0.018 0.000 1.048 290 I HN 0.236 nan 8.210 nan 0.000 0.487 291 I N -1.688 118.879 120.570 -0.005 0.000 4.774 291 I HA 0.141 4.313 4.170 0.004 0.000 0.330 291 I C 1.869 177.989 176.117 0.005 0.000 1.287 291 I CA 0.309 61.611 61.300 0.003 0.000 1.311 291 I CB -0.493 37.510 38.000 0.005 0.000 1.315 291 I HN -0.032 nan 8.210 nan 0.000 0.459 292 V N 2.289 122.203 119.914 0.001 0.000 2.626 292 V HA -0.078 4.044 4.120 0.004 0.000 0.252 292 V C 2.773 178.870 176.094 0.005 0.000 1.067 292 V CA 1.665 63.967 62.300 0.003 0.000 1.081 292 V CB -0.578 31.245 31.823 0.000 0.000 0.686 292 V HN 0.353 nan 8.190 nan 0.000 0.468 293 R N 0.759 121.260 120.500 0.001 0.000 2.062 293 R HA -0.121 4.222 4.340 0.004 0.000 0.229 293 R C 2.197 178.512 176.300 0.025 0.000 1.128 293 R CA 1.912 58.017 56.100 0.008 0.000 0.960 293 R CB -1.285 29.014 30.300 -0.001 0.000 0.855 293 R HN 0.629 nan 8.270 nan 0.000 0.432 294 N N 1.393 120.109 118.700 0.027 0.000 2.094 294 N HA -0.230 4.512 4.740 0.004 0.000 0.191 294 N C 1.571 177.098 175.510 0.028 0.000 1.023 294 N CA 2.028 55.101 53.050 0.037 0.000 0.857 294 N CB -0.217 38.291 38.487 0.034 0.000 1.013 294 N HN 0.228 nan 8.380 nan 0.000 0.426 295 E N 0.836 121.048 120.200 0.020 0.000 2.038 295 E HA -0.140 4.212 4.350 0.004 0.000 0.195 295 E C 1.656 178.265 176.600 0.016 0.000 1.000 295 E CA 1.667 58.077 56.400 0.016 0.000 0.803 295 E CB -0.210 29.498 29.700 0.014 0.000 0.750 295 E HN 0.413 nan 8.360 nan 0.000 0.448 296 K N -0.097 120.314 120.400 0.019 0.000 2.211 296 K HA -0.149 4.173 4.320 0.004 0.000 0.204 296 K C 2.368 178.983 176.600 0.025 0.000 1.047 296 K CA 1.263 57.563 56.287 0.022 0.000 0.935 296 K CB -0.202 32.312 32.500 0.025 0.000 0.728 296 K HN 0.087 nan 8.250 nan 0.000 0.452 297 R N 0.526 121.039 120.500 0.022 0.000 2.148 297 R HA -0.035 4.307 4.340 0.004 0.000 0.223 297 R C 1.889 178.173 176.300 -0.026 0.000 1.088 297 R CA 0.926 57.027 56.100 0.001 0.000 0.985 297 R CB 0.122 30.431 30.300 0.014 0.000 0.880 297 R HN 0.062 nan 8.270 nan 0.000 0.451 298 M N 0.127 119.722 119.600 -0.009 0.000 2.288 298 M HA -0.045 4.437 4.480 0.004 0.000 0.266 298 M C 1.926 178.213 176.300 -0.022 0.000 1.072 298 M CA 0.869 56.160 55.300 -0.015 0.000 1.132 298 M CB -0.649 31.950 32.600 -0.001 0.000 1.386 298 M HN 0.124 nan 8.290 nan 0.000 0.432 299 L N 0.509 121.725 121.223 -0.012 0.000 1.994 299 L HA -0.161 4.181 4.340 0.004 0.000 0.208 299 L C 2.696 179.550 176.870 -0.027 0.000 1.071 299 L CA 1.771 56.605 54.840 -0.011 0.000 0.745 299 L CB -1.286 40.776 42.059 0.005 0.000 0.892 299 L HN 0.354 nan 8.230 nan 0.000 0.431 300 Q N 0.043 119.825 119.800 -0.031 0.000 2.170 300 Q HA -0.263 4.079 4.340 0.004 0.000 0.203 300 Q C 2.082 178.014 176.000 -0.113 0.000 0.976 300 Q CA 1.793 57.556 55.803 -0.066 0.000 0.858 300 Q CB -0.002 28.697 28.738 -0.066 0.000 0.907 300 Q HN 0.659 nan 8.270 nan 0.000 0.433 301 E N -1.079 119.056 120.200 -0.108 0.000 2.285 301 E HA -0.029 4.324 4.350 0.004 0.000 0.194 301 E C 1.318 177.868 176.600 -0.082 0.000 0.997 301 E CA 0.634 56.966 56.400 -0.113 0.000 0.845 301 E CB 0.118 29.757 29.700 -0.102 0.000 0.782 301 E HN 0.369 nan 8.360 nan 0.000 0.491 302 A N -0.031 122.750 122.820 -0.065 0.000 2.195 302 A HA 0.092 4.415 4.320 0.004 0.000 0.210 302 A C 1.939 179.481 177.584 -0.069 0.000 1.165 302 A CA 0.150 52.152 52.037 -0.057 0.000 0.806 302 A CB 0.355 19.330 19.000 -0.042 0.000 0.847 302 A HN 0.171 nan 8.150 nan 0.000 0.482 303 V N 1.067 120.940 119.914 -0.069 0.000 2.492 303 V HA -0.091 4.031 4.120 0.004 0.000 0.241 303 V C 2.061 178.104 176.094 -0.084 0.000 1.041 303 V CA 1.649 63.909 62.300 -0.068 0.000 1.057 303 V CB -0.460 31.338 31.823 -0.041 0.000 0.711 303 V HN 0.747 nan 8.190 nan 0.000 0.468 304 D N 1.334 121.672 120.400 -0.104 0.000 2.371 304 D HA -0.035 4.608 4.640 0.004 0.000 0.221 304 D C 1.716 177.953 176.300 -0.105 0.000 0.986 304 D CA 1.240 55.162 54.000 -0.129 0.000 0.899 304 D CB -0.017 40.687 40.800 -0.160 0.000 0.902 304 D HN 0.391 nan 8.370 nan 0.000 0.530 305 A N 0.165 122.933 122.820 -0.087 0.000 1.975 305 A HA 0.100 4.423 4.320 0.004 0.000 0.215 305 A C 2.014 179.566 177.584 -0.053 0.000 1.170 305 A CA 0.666 52.661 52.037 -0.069 0.000 0.656 305 A CB -0.523 18.440 19.000 -0.062 0.000 0.821 305 A HN 0.267 nan 8.150 nan 0.000 0.449 306 L N -0.218 120.965 121.223 -0.067 0.000 2.023 306 L HA -0.040 4.303 4.340 0.004 0.000 0.205 306 L C 2.077 178.944 176.870 -0.006 0.000 1.073 306 L CA 1.552 56.349 54.840 -0.071 0.000 0.745 306 L CB -0.603 41.363 42.059 -0.156 0.000 0.900 306 L HN 0.226 nan 8.230 nan 0.000 0.435 307 L N -0.686 120.546 121.223 0.015 0.000 2.013 307 L HA -0.119 4.224 4.340 0.004 0.000 0.212 307 L C 0.310 177.308 176.870 0.213 0.000 1.073 307 L CA 1.651 56.567 54.840 0.127 0.000 0.753 307 L CB -1.199 40.918 42.059 0.097 0.000 0.890 307 L HN 0.457 nan 8.230 nan 0.000 0.432 308 D N -0.968 119.485 120.400 0.089 0.000 2.613 308 D HA 0.143 4.785 4.640 0.004 0.000 0.230 308 D C -1.014 175.258 176.300 -0.048 0.000 1.365 308 D CA -0.408 53.611 54.000 0.032 0.000 0.976 308 D CB 0.810 41.548 40.800 -0.104 0.000 1.415 308 D HN -0.111 nan 8.370 nan 0.000 0.589 309 N N 1.921 120.606 118.700 -0.024 0.000 2.438 309 N HA 0.588 5.331 4.740 0.004 0.000 0.282 309 N C 0.913 176.397 175.510 -0.043 0.000 1.037 309 N CA 0.974 54.003 53.050 -0.036 0.000 0.942 309 N CB 1.328 39.806 38.487 -0.015 0.000 1.136 309 N HN 0.639 nan 8.380 nan 0.000 0.481 310 G N 3.305 112.074 108.800 -0.052 0.000 2.296 310 G HA2 -0.193 3.770 3.960 0.004 0.000 0.188 310 G HA3 -0.193 3.770 3.960 0.004 0.000 0.188 310 G C 1.180 176.038 174.900 -0.069 0.000 1.000 310 G CA -0.115 44.956 45.100 -0.049 0.000 0.672 310 G HN 0.511 nan 8.290 nan 0.000 0.483 311 R N 0.682 121.123 120.500 -0.100 0.000 2.056 311 R HA 0.119 4.461 4.340 0.004 0.000 0.227 311 R C 1.304 177.554 176.300 -0.085 0.000 1.149 311 R CA 1.653 57.682 56.100 -0.118 0.000 0.937 311 R CB -0.345 29.849 30.300 -0.176 0.000 0.835 311 R HN 0.703 nan 8.270 nan 0.000 0.430 312 R N -1.216 119.234 120.500 -0.083 0.000 2.533 312 R HA 0.456 4.799 4.340 0.004 0.000 0.288 312 R C -0.505 175.765 176.300 -0.050 0.000 1.039 312 R CA -0.162 55.903 56.100 -0.058 0.000 0.909 312 R CB 1.503 31.759 30.300 -0.073 0.000 1.195 312 R HN 0.223 nan 8.270 nan 0.000 0.438 313 G N 3.072 111.861 108.800 -0.019 0.000 2.392 313 G HA2 -0.317 3.645 3.960 0.004 0.000 0.256 313 G HA3 -0.317 3.645 3.960 0.004 0.000 0.256 313 G C -0.216 174.671 174.900 -0.022 0.000 0.920 313 G CA 0.178 45.271 45.100 -0.011 0.000 1.316 313 G HN 0.786 nan 8.290 nan 0.000 0.416 314 R N 0.971 121.463 120.500 -0.015 0.000 2.570 314 R HA 0.485 4.828 4.340 0.004 0.000 0.277 314 R C 0.984 177.277 176.300 -0.012 0.000 1.039 314 R CA 0.400 56.490 56.100 -0.016 0.000 1.065 314 R CB 0.296 30.590 30.300 -0.010 0.000 0.964 314 R HN 1.013 nan 8.270 nan 0.000 0.428 315 A N 4.822 127.633 122.820 -0.014 0.000 2.327 315 A HA 0.456 4.779 4.320 0.004 0.000 0.283 315 A C -0.707 176.875 177.584 -0.003 0.000 1.127 315 A CA -0.517 51.513 52.037 -0.011 0.000 0.810 315 A CB 0.546 19.536 19.000 -0.017 0.000 1.066 315 A HN 0.605 nan 8.150 nan 0.000 0.492 316 I N 0.929 121.499 120.570 0.000 0.000 2.498 316 I HA 0.323 4.495 4.170 0.004 0.000 0.290 316 I C 0.802 176.923 176.117 0.007 0.000 1.032 316 I CA 0.058 61.361 61.300 0.005 0.000 1.073 316 I CB 2.127 40.131 38.000 0.006 0.000 1.251 316 I HN 0.716 nan 8.210 nan 0.000 0.426 317 T N 3.315 117.875 114.554 0.010 0.000 2.698 317 T HA 0.363 4.715 4.350 0.004 0.000 0.295 317 T C 1.248 175.955 174.700 0.012 0.000 1.007 317 T CA 0.390 62.497 62.100 0.013 0.000 0.980 317 T CB 0.658 69.536 68.868 0.018 0.000 1.036 317 T HN 0.749 nan 8.240 nan 0.000 0.526 318 G N 1.146 109.954 108.800 0.013 0.000 2.630 318 G HA2 0.067 4.030 3.960 0.004 0.000 0.195 318 G HA3 0.067 4.030 3.960 0.004 0.000 0.195 318 G C 0.663 175.570 174.900 0.011 0.000 1.493 318 G CA 0.571 45.678 45.100 0.012 0.000 0.890 318 G HN 1.062 nan 8.290 nan 0.000 0.475 319 S N 1.010 116.717 115.700 0.011 0.000 2.576 319 S HA 0.154 4.627 4.470 0.004 0.000 0.272 319 S C 0.467 175.074 174.600 0.012 0.000 1.352 319 S CA 0.289 58.495 58.200 0.010 0.000 1.021 319 S CB 0.249 63.455 63.200 0.010 0.000 0.887 319 S HN 1.357 nan 8.310 nan 0.000 0.542 320 N N -0.053 118.653 118.700 0.010 0.000 2.537 320 N HA -0.245 4.498 4.740 0.004 0.000 0.302 320 N C 0.139 175.656 175.510 0.011 0.000 1.368 320 N CA 1.020 54.077 53.050 0.011 0.000 0.666 320 N CB -0.486 38.008 38.487 0.012 0.000 1.006 320 N HN 0.948 nan 8.380 nan 0.000 0.507 321 K N 2.286 122.692 120.400 0.010 0.000 2.028 321 K HA -0.151 4.171 4.320 0.004 0.000 0.228 321 K C 0.475 177.081 176.600 0.011 0.000 0.974 321 K CA 1.516 57.809 56.287 0.010 0.000 1.078 321 K CB 0.020 32.526 32.500 0.008 0.000 0.722 321 K HN 0.789 nan 8.250 nan 0.000 0.503 322 R N 0.110 120.616 120.500 0.010 0.000 1.113 322 R HA -0.097 4.246 4.340 0.004 0.000 0.421 322 R C -2.730 173.577 176.300 0.011 0.000 1.359 322 R CA 0.128 56.235 56.100 0.011 0.000 1.299 322 R CB -0.863 29.445 30.300 0.012 0.000 3.643 322 R HN 0.280 nan 8.270 nan 0.000 0.496 323 P HA -0.051 nan 4.420 nan 0.000 0.250 323 P C -0.240 177.068 177.300 0.012 0.000 1.161 323 P CA -0.072 63.033 63.100 0.010 0.000 0.863 323 P CB 0.172 31.878 31.700 0.010 0.000 0.827 324 L N 4.921 126.151 121.223 0.011 0.000 2.499 324 L HA 0.049 4.392 4.340 0.004 0.000 0.273 324 L C 0.530 177.411 176.870 0.018 0.000 1.195 324 L CA 0.578 55.427 54.840 0.015 0.000 0.882 324 L CB -0.049 42.017 42.059 0.011 0.000 1.133 324 L HN 0.160 nan 8.230 nan 0.000 0.483 325 K N 3.519 123.934 120.400 0.026 0.000 2.185 325 K HA 0.386 4.708 4.320 0.004 0.000 0.271 325 K C 0.249 176.870 176.600 0.035 0.000 1.013 325 K CA 0.093 56.399 56.287 0.032 0.000 0.943 325 K CB 1.163 33.686 32.500 0.039 0.000 0.998 325 K HN 0.884 nan 8.250 nan 0.000 0.468 326 S N 1.324 117.048 115.700 0.040 0.000 4.341 326 S HA 0.424 4.896 4.470 0.004 0.000 0.223 326 S C 1.258 175.899 174.600 0.068 0.000 1.085 326 S CA -0.753 57.473 58.200 0.043 0.000 1.732 326 S CB 0.100 63.317 63.200 0.029 0.000 0.999 326 S HN 0.389 nan 8.310 nan 0.000 0.742 327 L N 0.472 121.744 121.223 0.083 0.000 2.546 327 L HA 0.409 4.751 4.340 0.004 0.000 0.185 327 L C 3.052 179.999 176.870 0.129 0.000 1.247 327 L CA 0.732 55.636 54.840 0.106 0.000 0.848 327 L CB -1.075 41.054 42.059 0.116 0.000 1.133 327 L HN 0.759 nan 8.230 nan 0.000 0.504 328 A N 0.319 123.256 122.820 0.195 0.000 1.997 328 A HA -0.270 4.052 4.320 0.004 0.000 0.221 328 A C 1.769 179.459 177.584 0.176 0.000 1.172 328 A CA 2.283 54.484 52.037 0.274 0.000 0.645 328 A CB -0.742 18.556 19.000 0.496 0.000 0.813 328 A HN 0.486 nan 8.150 nan 0.000 0.454 329 D N -1.068 119.402 120.400 0.116 0.000 2.097 329 D HA -0.157 4.485 4.640 0.004 0.000 0.195 329 D C 1.778 178.124 176.300 0.076 0.000 0.989 329 D CA 1.821 55.868 54.000 0.079 0.000 0.827 329 D CB -0.386 40.445 40.800 0.052 0.000 0.966 329 D HN 0.462 nan 8.370 nan 0.000 0.456 330 M N 0.211 119.855 119.600 0.073 0.000 2.349 330 M HA -0.036 4.447 4.480 0.004 0.000 0.266 330 M C 1.305 177.641 176.300 0.060 0.000 1.076 330 M CA 0.704 56.039 55.300 0.059 0.000 1.126 330 M CB 0.050 32.683 32.600 0.056 0.000 1.392 330 M HN -0.125 nan 8.290 nan 0.000 0.440 331 I N -0.016 120.601 120.570 0.078 0.000 2.055 331 I HA -0.207 3.966 4.170 0.004 0.000 0.228 331 I C 2.192 178.353 176.117 0.074 0.000 1.050 331 I CA 1.497 62.840 61.300 0.071 0.000 1.326 331 I CB -1.752 36.300 38.000 0.086 0.000 1.077 331 I HN 0.229 nan 8.210 nan 0.000 0.392 332 K N 0.866 121.334 120.400 0.113 0.000 2.296 332 K HA 0.086 4.409 4.320 0.004 0.000 0.200 332 K C 0.474 177.139 176.600 0.107 0.000 1.048 332 K CA 0.808 57.172 56.287 0.128 0.000 0.966 332 K CB -0.309 32.310 32.500 0.198 0.000 0.754 332 K HN 0.597 nan 8.250 nan 0.000 0.466 333 G N 1.525 110.381 108.800 0.092 0.000 2.799 333 G HA2 -0.221 3.741 3.960 0.004 0.000 0.271 333 G HA3 -0.221 3.741 3.960 0.004 0.000 0.271 333 G C 0.084 175.038 174.900 0.090 0.000 1.067 333 G CA 0.333 45.472 45.100 0.066 0.000 1.251 333 G HN 0.255 nan 8.290 nan 0.000 0.560 334 K N 0.574 121.027 120.400 0.088 0.000 2.374 334 K HA 0.109 4.432 4.320 0.004 0.000 0.196 334 K C 2.419 179.053 176.600 0.058 0.000 1.023 334 K CA 1.014 57.353 56.287 0.086 0.000 1.103 334 K CB 0.152 32.688 32.500 0.059 0.000 0.848 334 K HN 0.576 nan 8.250 nan 0.000 0.528 335 Q N -0.989 118.839 119.800 0.046 0.000 2.482 335 Q HA 0.035 4.377 4.340 0.004 0.000 0.209 335 Q C 0.703 176.722 176.000 0.032 0.000 0.961 335 Q CA 1.286 57.109 55.803 0.033 0.000 0.945 335 Q CB 0.318 29.072 28.738 0.027 0.000 1.012 335 Q HN 0.204 nan 8.270 nan 0.000 0.515 336 G N 0.469 109.293 108.800 0.041 0.000 3.735 336 G HA2 0.216 4.179 3.960 0.004 0.000 0.283 336 G HA3 0.216 4.179 3.960 0.004 0.000 0.283 336 G C 0.057 174.994 174.900 0.062 0.000 1.007 336 G CA -0.653 44.469 45.100 0.036 0.000 0.821 336 G HN 0.244 nan 8.290 nan 0.000 0.505 337 R N -1.939 118.613 120.500 0.086 0.000 3.758 337 R HA -0.325 4.017 4.340 0.004 0.000 0.299 337 R C 0.928 177.372 176.300 0.239 0.000 1.182 337 R CA 0.788 56.963 56.100 0.125 0.000 0.809 337 R CB -2.210 28.146 30.300 0.094 0.000 1.249 337 R HN 0.898 nan 8.270 nan 0.000 0.497 338 F N -1.079 118.885 119.950 0.024 0.000 2.551 338 F HA -0.513 4.019 4.527 0.009 0.000 0.704 338 F C 2.045 177.864 175.800 0.032 0.000 0.486 338 F CA 2.877 60.894 58.000 0.027 0.000 0.741 338 F CB -1.247 37.773 39.000 0.032 0.000 1.617 338 F HN 0.201 nan 8.300 nan 0.000 0.268 339 R N 1.251 121.848 120.500 0.161 0.000 2.140 339 R HA -0.226 4.116 4.340 0.004 0.000 0.250 339 R C 1.343 177.587 176.300 -0.094 0.000 1.150 339 R CA 2.198 58.327 56.100 0.049 0.000 0.966 339 R CB -0.562 29.836 30.300 0.164 0.000 0.869 339 R HN 0.751 nan 8.270 nan 0.000 0.445 340 Q N 0.650 120.416 119.800 -0.057 0.000 2.938 340 Q HA 0.086 4.428 4.340 0.004 0.000 0.343 340 Q C -0.576 175.358 176.000 -0.109 0.000 1.185 340 Q CA -0.253 55.514 55.803 -0.061 0.000 0.939 340 Q CB -0.235 28.493 28.738 -0.015 0.000 1.480 340 Q HN 0.320 nan 8.270 nan 0.000 0.442 341 N N 0.806 119.379 118.700 -0.212 0.000 2.235 341 N HA 0.021 4.763 4.740 0.004 0.000 0.231 341 N C 0.127 175.559 175.510 -0.130 0.000 1.330 341 N CA -0.306 52.608 53.050 -0.226 0.000 0.898 341 N CB 0.527 38.780 38.487 -0.389 0.000 1.151 341 N HN 0.453 nan 8.380 nan 0.000 0.472 342 L N 2.023 123.182 121.223 -0.107 0.000 2.779 342 L HA 0.170 4.512 4.340 0.004 0.000 0.239 342 L C -0.141 176.689 176.870 -0.066 0.000 1.245 342 L CA -0.123 54.677 54.840 -0.068 0.000 1.064 342 L CB -0.444 41.586 42.059 -0.048 0.000 1.350 342 L HN 0.382 nan 8.230 nan 0.000 0.455 343 L N 1.893 123.066 121.223 -0.083 0.000 2.565 343 L HA 0.322 4.664 4.340 0.004 0.000 0.275 343 L C 0.614 177.458 176.870 -0.043 0.000 1.137 343 L CA 0.083 54.882 54.840 -0.068 0.000 0.915 343 L CB -0.207 41.804 42.059 -0.080 0.000 1.232 343 L HN 0.309 nan 8.230 nan 0.000 0.473 344 G N 3.393 112.174 108.800 -0.033 0.000 1.834 344 G HA2 0.125 4.087 3.960 0.004 0.000 0.247 344 G HA3 0.125 4.087 3.960 0.004 0.000 0.247 344 G C -1.307 173.584 174.900 -0.014 0.000 1.691 344 G CA -0.893 44.196 45.100 -0.019 0.000 0.922 344 G HN 0.186 nan 8.290 nan 0.000 0.682 345 K N 2.319 122.715 120.400 -0.008 0.000 2.307 345 K HA 0.394 4.716 4.320 0.004 0.000 0.263 345 K C 0.502 177.108 176.600 0.010 0.000 0.973 345 K CA -0.726 55.559 56.287 -0.003 0.000 0.846 345 K CB 2.094 34.591 32.500 -0.005 0.000 1.100 345 K HN 0.621 nan 8.250 nan 0.000 0.438 346 R N 1.330 121.834 120.500 0.006 0.000 2.401 346 R HA 0.148 4.491 4.340 0.004 0.000 0.299 346 R C 0.139 176.451 176.300 0.020 0.000 1.064 346 R CA -0.400 55.708 56.100 0.013 0.000 1.000 346 R CB 0.333 30.630 30.300 -0.005 0.000 0.973 346 R HN 0.210 nan 8.270 nan 0.000 0.438 347 V N 3.061 123.007 119.914 0.054 0.000 2.637 347 V HA -0.074 4.048 4.120 0.004 0.000 0.296 347 V C 1.261 177.358 176.094 0.005 0.000 1.046 347 V CA 0.305 62.651 62.300 0.077 0.000 1.066 347 V CB 1.246 33.180 31.823 0.186 0.000 0.968 347 V HN 0.770 nan 8.190 nan 0.000 0.483 348 D N 2.381 122.761 120.400 -0.034 0.000 2.277 348 D HA -0.070 4.572 4.640 0.004 0.000 0.208 348 D C -0.093 175.902 176.300 -0.510 0.000 0.962 348 D CA 1.008 54.841 54.000 -0.278 0.000 0.865 348 D CB 0.094 40.684 40.800 -0.349 0.000 0.939 348 D HN 0.617 nan 8.370 nan 0.000 0.510 349 Y N -0.148 120.160 120.300 0.012 0.000 2.426 349 Y HA 0.529 5.081 4.550 0.004 0.000 0.325 349 Y C -0.395 175.484 175.900 -0.035 0.000 0.989 349 Y CA -0.711 57.379 58.100 -0.018 0.000 1.284 349 Y CB 1.852 40.300 38.460 -0.021 0.000 1.104 349 Y HN -0.313 nan 8.280 nan 0.000 0.481 350 S N 0.861 116.581 115.700 0.034 0.000 2.570 350 S HA 0.868 5.341 4.470 0.004 0.000 0.270 350 S C -0.403 174.157 174.600 -0.065 0.000 1.149 350 S CA -0.905 57.261 58.200 -0.058 0.000 0.837 350 S CB 2.269 65.406 63.200 -0.106 0.000 1.124 350 S HN 0.800 nan 8.310 nan 0.000 0.465 351 G N 0.453 109.196 108.800 -0.095 0.000 2.658 351 G HA2 0.840 4.802 3.960 0.004 0.000 0.292 351 G HA3 0.840 4.802 3.960 0.004 0.000 0.292 351 G C -1.555 173.305 174.900 -0.066 0.000 1.320 351 G CA -0.706 44.359 45.100 -0.057 0.000 0.933 351 G HN 0.654 nan 8.290 nan 0.000 0.476 352 R N -0.711 119.767 120.500 -0.037 0.000 2.633 352 R HA 0.536 4.879 4.340 0.004 0.000 0.255 352 R C -0.978 175.313 176.300 -0.014 0.000 1.106 352 R CA -0.091 55.990 56.100 -0.032 0.000 0.959 352 R CB 1.498 31.776 30.300 -0.036 0.000 1.259 352 R HN 1.173 nan 8.270 nan 0.000 0.453 353 S N 0.894 116.589 115.700 -0.009 0.000 2.694 353 S HA 0.412 4.884 4.470 0.004 0.000 0.273 353 S C -0.955 173.647 174.600 0.004 0.000 1.180 353 S CA -0.867 57.334 58.200 0.000 0.000 0.864 353 S CB 1.074 64.278 63.200 0.007 0.000 1.198 353 S HN 0.242 nan 8.310 nan 0.000 0.499 354 V N 1.502 121.423 119.914 0.012 0.000 2.811 354 V HA 0.323 4.446 4.120 0.004 0.000 0.302 354 V C 0.030 176.146 176.094 0.036 0.000 1.063 354 V CA -0.236 62.077 62.300 0.022 0.000 1.088 354 V CB 0.221 32.058 31.823 0.024 0.000 0.982 354 V HN 0.657 nan 8.190 nan 0.000 0.485 355 I N 4.290 124.896 120.570 0.061 0.000 2.353 355 I HA 0.505 4.677 4.170 0.004 0.000 0.293 355 I C 0.545 176.803 176.117 0.234 0.000 0.992 355 I CA -0.004 61.369 61.300 0.122 0.000 1.268 355 I CB 1.545 39.596 38.000 0.085 0.000 1.387 355 I HN 0.865 nan 8.210 nan 0.000 0.478 356 T N 2.602 117.259 114.554 0.171 0.000 2.693 356 T HA 0.726 5.078 4.350 0.004 0.000 0.278 356 T C -0.211 174.328 174.700 -0.269 0.000 0.994 356 T CA -0.775 61.325 62.100 -0.000 0.000 1.033 356 T CB 1.634 70.472 68.868 -0.051 0.000 1.342 356 T HN 0.386 nan 8.240 nan 0.000 0.538 357 V N -2.562 117.061 119.914 -0.485 0.000 3.093 357 V HA 0.991 5.113 4.120 0.004 0.000 0.320 357 V C 0.150 176.069 176.094 -0.291 0.000 1.093 357 V CA -0.571 61.388 62.300 -0.568 0.000 1.016 357 V CB 1.090 32.484 31.823 -0.716 0.000 1.096 357 V HN 1.578 nan 8.190 nan 0.000 0.452 358 G N 1.377 110.021 108.800 -0.260 0.000 2.460 358 G HA2 0.527 4.490 3.960 0.004 0.000 0.299 358 G HA3 0.527 4.490 3.960 0.004 0.000 0.299 358 G C -2.355 172.437 174.900 -0.180 0.000 1.592 358 G CA -0.513 44.502 45.100 -0.141 0.000 1.008 358 G HN 0.582 nan 8.290 nan 0.000 0.513 359 P HA -0.124 nan 4.420 nan 0.000 0.219 359 P C 1.097 178.211 177.300 -0.310 0.000 1.146 359 P CA 0.871 63.689 63.100 -0.471 0.000 0.808 359 P CB 0.165 31.458 31.700 -0.677 0.000 0.779 360 Y N -0.970 119.248 120.300 -0.137 0.000 2.421 360 Y HA -0.052 4.500 4.550 0.003 0.000 0.292 360 Y C 1.484 177.360 175.900 -0.041 0.000 1.136 360 Y CA 0.101 58.159 58.100 -0.071 0.000 1.255 360 Y CB -0.946 37.473 38.460 -0.068 0.000 0.991 360 Y HN -0.098 nan 8.280 nan 0.000 0.552 361 L N 0.463 121.738 121.223 0.088 0.000 2.464 361 L HA 0.169 4.511 4.340 0.004 0.000 0.264 361 L C 0.284 177.214 176.870 0.100 0.000 1.199 361 L CA -0.301 54.579 54.840 0.066 0.000 0.818 361 L CB 0.440 42.527 42.059 0.047 0.000 1.102 361 L HN 0.023 nan 8.230 nan 0.000 0.473 362 R N -0.011 120.496 120.500 0.012 0.000 2.893 362 R HA 0.341 4.683 4.340 0.004 0.000 0.245 362 R C 0.728 176.874 176.300 -0.256 0.000 1.192 362 R CA -0.744 55.322 56.100 -0.057 0.000 1.077 362 R CB 0.388 30.513 30.300 -0.291 0.000 1.253 362 R HN 0.511 nan 8.270 nan 0.000 0.505 363 L N 0.825 121.830 121.223 -0.364 0.000 2.131 363 L HA -0.140 4.202 4.340 0.004 0.000 0.210 363 L C 0.709 177.523 176.870 -0.092 0.000 1.092 363 L CA 1.785 56.263 54.840 -0.603 0.000 0.759 363 L CB -0.062 41.917 42.059 -0.133 0.000 0.903 363 L HN 0.816 nan 8.230 nan 0.000 0.435 364 H N -2.794 116.324 119.070 0.081 0.000 2.488 364 H HA 0.443 5.001 4.556 0.004 0.000 0.294 364 H C -0.281 175.252 175.328 0.342 0.000 1.088 364 H CA -0.659 55.561 56.048 0.286 0.000 1.086 364 H CB -0.057 29.780 29.762 0.126 0.000 1.569 364 H HN 0.336 nan 8.280 nan 0.000 0.548 365 Q N 0.753 120.576 119.800 0.038 0.000 2.451 365 Q HA 0.607 4.949 4.340 0.004 0.000 0.281 365 Q C -1.155 174.808 176.000 -0.062 0.000 1.099 365 Q CA -1.197 54.618 55.803 0.020 0.000 0.806 365 Q CB 3.058 31.734 28.738 -0.103 0.000 1.419 365 Q HN 0.558 nan 8.270 nan 0.000 0.427 366 C N -1.519 117.779 119.300 -0.003 0.000 2.782 366 C HA 0.913 5.375 4.460 0.004 0.000 0.328 366 C C 0.345 175.333 174.990 -0.003 0.000 1.145 366 C CA -0.742 58.235 59.018 -0.068 0.000 1.358 366 C CB 0.645 28.334 27.740 -0.087 0.000 1.841 366 C HN 0.938 nan 8.230 nan 0.000 0.477 367 G N 1.990 110.779 108.800 -0.019 0.000 2.451 367 G HA2 0.794 4.756 3.960 0.004 0.000 0.303 367 G HA3 0.794 4.756 3.960 0.004 0.000 0.303 367 G C -1.070 173.837 174.900 0.012 0.000 1.166 367 G CA -0.454 44.645 45.100 -0.002 0.000 0.884 367 G HN 1.644 nan 8.290 nan 0.000 0.514 368 L N -1.292 119.945 121.223 0.024 0.000 2.518 368 L HA 0.670 5.012 4.340 0.004 0.000 0.257 368 L C -2.971 173.921 176.870 0.038 0.000 0.980 368 L CA -2.510 52.353 54.840 0.038 0.000 0.837 368 L CB 1.094 43.194 42.059 0.068 0.000 1.410 368 L HN 0.238 nan 8.230 nan 0.000 0.410 369 P HA 0.130 nan 4.420 nan 0.000 0.269 369 P C -0.074 177.262 177.300 0.061 0.000 1.211 369 P CA -0.174 62.952 63.100 0.043 0.000 0.781 369 P CB 0.719 32.443 31.700 0.041 0.000 0.877 370 K N 3.195 123.635 120.400 0.067 0.000 2.005 370 K HA -0.103 4.220 4.320 0.004 0.000 0.206 370 K C 1.810 178.469 176.600 0.098 0.000 1.044 370 K CA 1.691 58.036 56.287 0.096 0.000 0.942 370 K CB -0.565 32.012 32.500 0.130 0.000 0.727 370 K HN 0.195 nan 8.250 nan 0.000 0.439 371 K N 0.108 120.555 120.400 0.079 0.000 2.147 371 K HA -0.123 4.199 4.320 0.004 0.000 0.205 371 K C 2.148 178.789 176.600 0.068 0.000 1.049 371 K CA 1.547 57.870 56.287 0.061 0.000 0.936 371 K CB -0.156 32.369 32.500 0.041 0.000 0.722 371 K HN 0.280 nan 8.250 nan 0.000 0.446 372 M N 0.120 119.762 119.600 0.070 0.000 2.279 372 M HA -0.128 4.355 4.480 0.004 0.000 0.264 372 M C 1.868 178.238 176.300 0.116 0.000 1.062 372 M CA 1.506 56.851 55.300 0.076 0.000 1.099 372 M CB -0.065 32.572 32.600 0.062 0.000 1.394 372 M HN 0.257 nan 8.290 nan 0.000 0.426 373 A N 0.445 123.347 122.820 0.138 0.000 1.933 373 A HA -0.130 4.192 4.320 0.004 0.000 0.218 373 A C 1.780 179.498 177.584 0.224 0.000 1.175 373 A CA 1.396 53.556 52.037 0.204 0.000 0.628 373 A CB -0.684 18.406 19.000 0.149 0.000 0.814 373 A HN 0.529 nan 8.150 nan 0.000 0.444 374 L N -0.508 120.805 121.223 0.151 0.000 2.109 374 L HA -0.071 4.271 4.340 0.004 0.000 0.207 374 L C 2.491 179.461 176.870 0.166 0.000 1.086 374 L CA 1.651 56.576 54.840 0.141 0.000 0.760 374 L CB -0.532 41.574 42.059 0.078 0.000 0.910 374 L HN 0.363 nan 8.230 nan 0.000 0.437 375 E N 0.268 120.549 120.200 0.134 0.000 2.046 375 E HA -0.127 4.225 4.350 0.004 0.000 0.190 375 E C 2.222 178.905 176.600 0.139 0.000 0.982 375 E CA 1.143 57.615 56.400 0.120 0.000 0.800 375 E CB -0.097 29.648 29.700 0.076 0.000 0.756 375 E HN 0.396 nan 8.360 nan 0.000 0.449 376 L N -0.370 120.918 121.223 0.109 0.000 1.943 376 L HA -0.149 4.193 4.340 0.004 0.000 0.215 376 L C 1.516 178.374 176.870 -0.020 0.000 1.074 376 L CA 1.083 55.923 54.840 -0.000 0.000 0.759 376 L CB -0.579 41.389 42.059 -0.152 0.000 0.888 376 L HN 0.033 nan 8.230 nan 0.000 0.433 377 F N 0.887 120.925 119.950 0.146 0.000 2.705 377 F HA 0.051 4.582 4.527 0.007 0.000 0.355 377 F C 1.675 177.636 175.800 0.268 0.000 1.172 377 F CA 0.117 58.240 58.000 0.205 0.000 1.332 377 F CB -0.385 38.637 39.000 0.035 0.000 1.621 377 F HN 0.017 nan 8.300 nan 0.000 0.605 378 K N 1.793 122.411 120.400 0.362 0.000 2.021 378 K HA -0.020 4.303 4.320 0.004 0.000 0.205 378 K C -0.868 175.922 176.600 0.317 0.000 1.047 378 K CA 1.122 57.615 56.287 0.343 0.000 0.943 378 K CB -1.076 31.580 32.500 0.260 0.000 0.725 378 K HN 0.188 nan 8.250 nan 0.000 0.439 379 P HA -0.045 nan 4.420 nan 0.000 0.225 379 P C 0.821 178.017 177.300 -0.174 0.000 1.148 379 P CA 1.052 64.081 63.100 -0.118 0.000 0.779 379 P CB -0.078 31.416 31.700 -0.344 0.000 0.780 380 F N -1.780 118.244 119.950 0.124 0.000 2.374 380 F HA 0.079 4.608 4.527 0.002 0.000 0.291 380 F C 2.089 177.949 175.800 0.101 0.000 1.084 380 F CA 0.231 58.289 58.000 0.096 0.000 1.413 380 F CB -0.917 38.141 39.000 0.097 0.000 1.099 380 F HN -0.214 nan 8.300 nan 0.000 0.534 381 I N -0.556 120.207 120.570 0.320 0.000 2.394 381 I HA -0.284 3.888 4.170 0.004 0.000 0.251 381 I C 1.875 178.035 176.117 0.071 0.000 1.136 381 I CA 1.718 63.109 61.300 0.152 0.000 1.425 381 I CB -0.580 37.480 38.000 0.101 0.000 1.079 381 I HN 0.082 nan 8.210 nan 0.000 0.425 382 Y N 0.313 120.647 120.300 0.056 0.000 2.373 382 Y HA 0.032 4.584 4.550 0.003 0.000 0.293 382 Y C 2.542 178.454 175.900 0.019 0.000 1.129 382 Y CA 1.222 59.338 58.100 0.027 0.000 1.226 382 Y CB -0.974 37.492 38.460 0.011 0.000 1.000 382 Y HN 0.206 nan 8.280 nan 0.000 0.549 383 G N -0.441 108.458 108.800 0.165 0.000 2.484 383 G HA2 -0.159 3.803 3.960 0.004 0.000 0.218 383 G HA3 -0.159 3.803 3.960 0.004 0.000 0.218 383 G C 1.605 176.552 174.900 0.079 0.000 1.130 383 G CA 0.552 45.712 45.100 0.100 0.000 0.784 383 G HN 0.320 nan 8.290 nan 0.000 0.543 384 K N -0.437 120.005 120.400 0.070 0.000 2.276 384 K HA 0.311 4.633 4.320 0.004 0.000 0.198 384 K C 2.281 178.892 176.600 0.019 0.000 1.052 384 K CA -0.161 56.152 56.287 0.044 0.000 0.984 384 K CB -0.004 32.519 32.500 0.039 0.000 0.836 384 K HN 0.194 nan 8.250 nan 0.000 0.490 385 L N 1.360 122.582 121.223 -0.001 0.000 2.131 385 L HA -0.161 4.181 4.340 0.004 0.000 0.210 385 L C 2.554 179.423 176.870 -0.002 0.000 1.092 385 L CA 1.302 56.125 54.840 -0.029 0.000 0.759 385 L CB -0.295 41.703 42.059 -0.102 0.000 0.903 385 L HN 0.295 nan 8.230 nan 0.000 0.435 386 E N 0.763 120.977 120.200 0.023 0.000 2.072 386 E HA -0.193 4.159 4.350 0.004 0.000 0.191 386 E C 2.336 178.950 176.600 0.024 0.000 0.985 386 E CA 0.871 57.289 56.400 0.031 0.000 0.801 386 E CB 0.028 29.757 29.700 0.048 0.000 0.750 386 E HN 0.472 nan 8.360 nan 0.000 0.452 387 L N 0.405 121.643 121.223 0.026 0.000 2.201 387 L HA -0.071 4.272 4.340 0.004 0.000 0.212 387 L C 2.064 178.944 176.870 0.016 0.000 1.105 387 L CA 0.648 55.502 54.840 0.023 0.000 0.775 387 L CB -0.268 41.807 42.059 0.028 0.000 0.913 387 L HN 0.043 nan 8.230 nan 0.000 0.440 388 R N -0.784 119.723 120.500 0.013 0.000 2.615 388 R HA 0.199 4.541 4.340 0.004 0.000 0.178 388 R C 1.470 177.773 176.300 0.006 0.000 0.958 388 R CA 0.352 56.457 56.100 0.008 0.000 1.275 388 R CB -0.354 29.948 30.300 0.004 0.000 1.207 388 R HN 0.033 nan 8.270 nan 0.000 0.535 389 G N -0.093 108.709 108.800 0.003 0.000 2.781 389 G HA2 -0.051 3.912 3.960 0.004 0.000 0.208 389 G HA3 -0.051 3.912 3.960 0.004 0.000 0.208 389 G C 1.141 176.040 174.900 -0.002 0.000 1.099 389 G CA -0.277 44.824 45.100 0.002 0.000 0.776 389 G HN 0.240 nan 8.290 nan 0.000 0.532 390 L N 0.804 122.022 121.223 -0.008 0.000 2.043 390 L HA 0.190 4.532 4.340 0.004 0.000 0.212 390 L C 0.970 177.828 176.870 -0.020 0.000 1.075 390 L CA 2.019 56.849 54.840 -0.018 0.000 0.752 390 L CB -0.592 41.449 42.059 -0.031 0.000 0.891 390 L HN 0.236 nan 8.230 nan 0.000 0.432 391 A N -2.363 120.447 122.820 -0.016 0.000 2.527 391 A HA 0.498 4.820 4.320 0.004 0.000 0.293 391 A C 0.388 177.977 177.584 0.009 0.000 1.117 391 A CA 0.251 52.285 52.037 -0.005 0.000 0.723 391 A CB 1.499 20.492 19.000 -0.013 0.000 1.313 391 A HN 0.089 nan 8.150 nan 0.000 0.411 392 T N -0.554 114.011 114.554 0.018 0.000 3.041 392 T HA 0.362 4.714 4.350 0.004 0.000 0.276 392 T C -0.214 174.503 174.700 0.029 0.000 0.948 392 T CA 1.046 63.158 62.100 0.021 0.000 0.885 392 T CB 0.065 68.942 68.868 0.015 0.000 1.175 392 T HN 0.788 nan 8.240 nan 0.000 0.529 393 T N 1.143 115.721 114.554 0.040 0.000 3.032 393 T HA 0.395 4.748 4.350 0.004 0.000 0.312 393 T C 0.776 175.527 174.700 0.084 0.000 1.078 393 T CA -0.601 61.528 62.100 0.049 0.000 1.028 393 T CB 1.728 70.617 68.868 0.035 0.000 1.091 393 T HN 0.131 nan 8.240 nan 0.000 0.457 394 I N 2.083 122.708 120.570 0.092 0.000 2.335 394 I HA -0.120 4.052 4.170 0.004 0.000 0.251 394 I C 2.303 178.488 176.117 0.114 0.000 1.129 394 I CA 1.470 62.857 61.300 0.145 0.000 1.402 394 I CB 0.042 38.076 38.000 0.056 0.000 1.069 394 I HN 0.435 nan 8.210 nan 0.000 0.424 395 K N 1.379 121.812 120.400 0.055 0.000 2.062 395 K HA -0.073 4.249 4.320 0.004 0.000 0.205 395 K C 2.047 178.684 176.600 0.061 0.000 1.051 395 K CA 1.462 57.770 56.287 0.035 0.000 0.941 395 K CB -0.213 32.296 32.500 0.014 0.000 0.719 395 K HN 0.433 nan 8.250 nan 0.000 0.440 396 A N 0.821 123.678 122.820 0.062 0.000 1.972 396 A HA -0.045 4.277 4.320 0.004 0.000 0.219 396 A C 2.225 179.854 177.584 0.076 0.000 1.169 396 A CA 1.861 53.930 52.037 0.054 0.000 0.635 396 A CB -0.455 18.567 19.000 0.037 0.000 0.810 396 A HN 0.364 nan 8.150 nan 0.000 0.446 397 A N -0.650 122.247 122.820 0.129 0.000 2.119 397 A HA 0.042 4.365 4.320 0.004 0.000 0.216 397 A C 1.945 179.708 177.584 0.297 0.000 1.152 397 A CA 1.830 53.952 52.037 0.142 0.000 0.708 397 A CB -0.257 18.795 19.000 0.087 0.000 0.805 397 A HN 0.398 nan 8.150 nan 0.000 0.460 398 K N 0.850 121.440 120.400 0.316 0.000 2.097 398 K HA -0.036 4.287 4.320 0.004 0.000 0.205 398 K C 1.462 178.139 176.600 0.129 0.000 1.050 398 K CA 1.613 58.041 56.287 0.235 0.000 0.938 398 K CB -0.197 32.338 32.500 0.057 0.000 0.718 398 K HN 0.432 nan 8.250 nan 0.000 0.442 399 K N -0.593 119.857 120.400 0.083 0.000 2.487 399 K HA 0.016 4.339 4.320 0.004 0.000 0.192 399 K C 1.511 178.130 176.600 0.031 0.000 1.027 399 K CA 0.349 56.663 56.287 0.043 0.000 1.054 399 K CB 0.036 32.551 32.500 0.026 0.000 0.824 399 K HN 0.111 nan 8.250 nan 0.000 0.510 400 M N 1.009 120.633 119.600 0.039 0.000 2.142 400 M HA -0.072 4.410 4.480 0.004 0.000 0.256 400 M C 1.080 177.373 176.300 -0.012 0.000 1.098 400 M CA 1.376 56.676 55.300 0.001 0.000 1.151 400 M CB 0.265 32.852 32.600 -0.022 0.000 1.299 400 M HN -0.079 nan 8.290 nan 0.000 0.431 401 V N -0.345 119.569 119.914 -0.001 0.000 3.067 401 V HA 0.214 4.337 4.120 0.004 0.000 0.388 401 V C 0.967 177.076 176.094 0.025 0.000 1.330 401 V CA -0.136 62.157 62.300 -0.012 0.000 1.501 401 V CB -1.806 29.998 31.823 -0.031 0.000 1.382 401 V HN 0.588 nan 8.190 nan 0.000 0.532 402 E N 2.138 122.349 120.200 0.018 0.000 2.086 402 E HA 0.137 4.490 4.350 0.004 0.000 0.223 402 E C 0.748 177.349 176.600 0.003 0.000 0.881 402 E CA 0.288 56.699 56.400 0.020 0.000 1.137 402 E CB 0.345 30.052 29.700 0.013 0.000 0.985 402 E HN 0.584 nan 8.360 nan 0.000 0.559 403 R N 0.281 120.777 120.500 -0.007 0.000 2.593 403 R HA 0.237 4.579 4.340 0.004 0.000 0.258 403 R C -0.932 175.357 176.300 -0.020 0.000 1.410 403 R CA -0.181 55.911 56.100 -0.013 0.000 1.537 403 R CB 0.846 31.140 30.300 -0.009 0.000 1.362 403 R HN 0.195 nan 8.270 nan 0.000 0.734 404 E N 0.356 120.538 120.200 -0.029 0.000 2.458 404 E HA 0.240 4.593 4.350 0.004 0.000 0.250 404 E C -0.071 176.501 176.600 -0.047 0.000 0.883 404 E CA -0.685 55.696 56.400 -0.032 0.000 0.868 404 E CB 0.814 30.497 29.700 -0.027 0.000 1.593 404 E HN 0.034 nan 8.360 nan 0.000 0.410 405 E N 0.295 120.467 120.200 -0.046 0.000 2.336 405 E HA 0.280 4.633 4.350 0.004 0.000 0.214 405 E C 0.083 176.639 176.600 -0.073 0.000 1.144 405 E CA -0.150 56.215 56.400 -0.059 0.000 1.294 405 E CB 0.361 30.037 29.700 -0.041 0.000 1.263 405 E HN 0.395 nan 8.360 nan 0.000 0.439 406 A N 0.370 123.142 122.820 -0.081 0.000 2.431 406 A HA 0.109 4.432 4.320 0.004 0.000 0.239 406 A C 1.025 178.530 177.584 -0.132 0.000 1.230 406 A CA -0.235 51.750 52.037 -0.087 0.000 0.928 406 A CB 0.128 19.093 19.000 -0.059 0.000 1.006 406 A HN 0.116 nan 8.150 nan 0.000 0.520 407 V N -0.307 119.504 119.914 -0.171 0.000 2.485 407 V HA 0.496 4.618 4.120 0.004 0.000 0.287 407 V C -0.360 175.487 176.094 -0.412 0.000 1.022 407 V CA -0.303 61.847 62.300 -0.251 0.000 1.067 407 V CB 0.146 31.820 31.823 -0.249 0.000 0.967 407 V HN 0.066 nan 8.190 nan 0.000 0.479 408 V N 5.271 124.953 119.914 -0.386 0.000 2.760 408 V HA 0.438 4.561 4.120 0.004 0.000 0.309 408 V C -0.039 175.866 176.094 -0.314 0.000 1.077 408 V CA -0.852 61.182 62.300 -0.443 0.000 0.910 408 V CB 2.026 33.749 31.823 -0.166 0.000 1.008 408 V HN 0.966 nan 8.190 nan 0.000 0.424 409 W N 2.165 123.453 121.300 -0.021 0.000 2.123 409 W HA 0.331 4.993 4.660 0.003 0.000 0.351 409 W C 0.402 176.904 176.519 -0.028 0.000 1.292 409 W CA 0.624 57.955 57.345 -0.024 0.000 1.263 409 W CB 0.612 30.059 29.460 -0.022 0.000 1.165 409 W HN 0.814 nan 8.180 nan 0.000 0.590 410 D N -0.396 120.118 120.400 0.191 0.000 3.840 410 D HA 0.009 4.651 4.640 0.004 0.000 0.136 410 D C 0.684 177.021 176.300 0.062 0.000 1.644 410 D CA -0.417 53.639 54.000 0.094 0.000 1.224 410 D CB -0.378 40.442 40.800 0.033 0.000 2.376 410 D HN 0.137 nan 8.370 nan 0.000 0.385 411 I N 2.232 122.819 120.570 0.028 0.000 3.735 411 I HA 0.077 4.249 4.170 0.004 0.000 0.310 411 I C 1.613 177.735 176.117 0.009 0.000 1.270 411 I CA 0.347 61.654 61.300 0.013 0.000 1.207 411 I CB -0.314 37.687 38.000 0.001 0.000 1.013 411 I HN 0.285 nan 8.210 nan 0.000 0.452 412 L N 1.048 122.288 121.223 0.028 0.000 2.263 412 L HA -0.214 4.128 4.340 0.004 0.000 0.216 412 L C 1.633 178.505 176.870 0.002 0.000 1.111 412 L CA 1.891 56.746 54.840 0.025 0.000 0.773 412 L CB -0.584 41.522 42.059 0.078 0.000 0.906 412 L HN 0.200 nan 8.230 nan 0.000 0.439 413 D N -0.942 119.463 120.400 0.008 0.000 2.162 413 D HA -0.157 4.485 4.640 0.004 0.000 0.203 413 D C 2.000 178.288 176.300 -0.021 0.000 0.967 413 D CA 1.225 55.220 54.000 -0.009 0.000 0.840 413 D CB 0.053 40.849 40.800 -0.007 0.000 0.972 413 D HN 0.559 nan 8.370 nan 0.000 0.482 414 E N 0.500 120.691 120.200 -0.015 0.000 2.230 414 E HA -0.063 4.290 4.350 0.004 0.000 0.192 414 E C 1.938 178.525 176.600 -0.022 0.000 0.987 414 E CA 0.098 56.491 56.400 -0.011 0.000 0.841 414 E CB 0.303 30.003 29.700 0.001 0.000 0.783 414 E HN -0.045 nan 8.360 nan 0.000 0.481 415 V N 1.056 120.936 119.914 -0.056 0.000 2.594 415 V HA -0.094 4.029 4.120 0.004 0.000 0.253 415 V C 0.905 176.848 176.094 -0.252 0.000 1.069 415 V CA 1.188 63.415 62.300 -0.122 0.000 1.082 415 V CB -0.113 31.636 31.823 -0.124 0.000 0.680 415 V HN 0.175 nan 8.190 nan 0.000 0.469 416 I N 0.876 121.323 120.570 -0.205 0.000 2.460 416 I HA 0.470 4.642 4.170 0.004 0.000 0.277 416 I C 0.689 176.779 176.117 -0.045 0.000 1.057 416 I CA -0.398 60.766 61.300 -0.226 0.000 1.179 416 I CB 0.892 38.698 38.000 -0.325 0.000 1.329 416 I HN 0.087 nan 8.210 nan 0.000 0.478 417 R N 2.445 122.977 120.500 0.053 0.000 2.977 417 R HA 0.214 4.557 4.340 0.004 0.000 0.161 417 R C 0.389 176.680 176.300 -0.015 0.000 0.805 417 R CA 0.327 56.436 56.100 0.015 0.000 1.044 417 R CB 0.471 30.775 30.300 0.006 0.000 1.433 417 R HN 0.341 nan 8.270 nan 0.000 0.570 418 E N 1.524 121.658 120.200 -0.111 0.000 2.815 418 E HA 0.179 4.531 4.350 0.004 0.000 0.211 418 E C -0.780 175.588 176.600 -0.386 0.000 1.004 418 E CA 0.005 56.275 56.400 -0.216 0.000 1.173 418 E CB 0.452 30.010 29.700 -0.236 0.000 1.163 418 E HN 0.330 nan 8.360 nan 0.000 0.449 419 H N 0.311 119.344 119.070 -0.061 0.000 2.539 419 H HA 0.280 4.838 4.556 0.004 0.000 0.247 419 H C -2.302 173.042 175.328 0.028 0.000 1.363 419 H CA -1.872 54.147 56.048 -0.048 0.000 1.371 419 H CB 0.559 30.228 29.762 -0.155 0.000 1.438 419 H HN -0.000 nan 8.280 nan 0.000 0.523 420 P HA -0.003 nan 4.420 nan 0.000 0.270 420 P C -0.505 176.895 177.300 0.168 0.000 1.227 420 P CA -0.336 62.838 63.100 0.123 0.000 0.788 420 P CB 0.911 32.649 31.700 0.063 0.000 0.926 421 V N -1.324 118.699 119.914 0.182 0.000 2.876 421 V HA 0.472 4.594 4.120 0.004 0.000 0.312 421 V C -0.920 175.289 176.094 0.193 0.000 1.085 421 V CA -0.971 61.445 62.300 0.193 0.000 0.945 421 V CB 2.028 33.979 31.823 0.213 0.000 1.017 421 V HN 0.154 nan 8.190 nan 0.000 0.428 422 L N 4.342 125.678 121.223 0.189 0.000 2.261 422 L HA 0.456 4.799 4.340 0.004 0.000 0.289 422 L C -0.391 176.632 176.870 0.254 0.000 1.059 422 L CA -0.207 54.755 54.840 0.204 0.000 0.816 422 L CB 0.730 42.891 42.059 0.168 0.000 1.191 422 L HN 0.634 nan 8.230 nan 0.000 0.431 423 L N 4.609 126.007 121.223 0.292 0.000 2.342 423 L HA 0.238 4.580 4.340 0.004 0.000 0.285 423 L C 0.827 177.876 176.870 0.298 0.000 1.095 423 L CA 0.485 55.475 54.840 0.251 0.000 0.843 423 L CB -0.241 41.946 42.059 0.213 0.000 1.201 423 L HN 0.528 nan 8.230 nan 0.000 0.445 424 N N 3.311 122.157 118.700 0.243 0.000 2.485 424 N HA 0.202 4.945 4.740 0.004 0.000 0.243 424 N C -0.504 175.112 175.510 0.176 0.000 0.987 424 N CA -0.684 52.514 53.050 0.247 0.000 0.940 424 N CB 0.590 39.261 38.487 0.307 0.000 1.122 424 N HN 0.355 nan 8.380 nan 0.000 0.509 425 R N 3.489 124.119 120.500 0.217 0.000 2.423 425 R HA 0.310 4.653 4.340 0.004 0.000 0.293 425 R C -0.829 175.541 176.300 0.118 0.000 1.196 425 R CA -0.317 55.875 56.100 0.152 0.000 1.262 425 R CB 0.353 30.775 30.300 0.203 0.000 1.116 425 R HN 0.628 nan 8.270 nan 0.000 0.566 426 A N 5.171 128.037 122.820 0.076 0.000 2.466 426 A HA 0.428 4.750 4.320 0.004 0.000 0.238 426 A C -1.921 175.680 177.584 0.029 0.000 1.074 426 A CA -0.770 51.294 52.037 0.046 0.000 0.774 426 A CB -0.125 18.900 19.000 0.041 0.000 1.015 426 A HN 0.475 nan 8.150 nan 0.000 0.498 427 P HA 0.418 nan 4.420 nan 0.000 0.275 427 P C -0.545 176.738 177.300 -0.029 0.000 1.266 427 P CA -0.126 62.972 63.100 -0.003 0.000 0.793 427 P CB 0.605 32.299 31.700 -0.011 0.000 1.074 428 T N 0.861 115.382 114.554 -0.054 0.000 3.008 428 T HA 0.305 4.657 4.350 0.004 0.000 0.328 428 T C 0.973 175.579 174.700 -0.157 0.000 1.020 428 T CA -0.329 61.701 62.100 -0.116 0.000 1.043 428 T CB 0.114 68.944 68.868 -0.063 0.000 1.010 428 T HN 0.152 nan 8.240 nan 0.000 0.466 429 L N 2.273 123.335 121.223 -0.268 0.000 1.995 429 L HA 0.096 4.439 4.340 0.004 0.000 0.206 429 L C 2.406 179.165 176.870 -0.184 0.000 1.098 429 L CA 0.749 55.465 54.840 -0.207 0.000 0.762 429 L CB -0.567 41.389 42.059 -0.172 0.000 0.900 429 L HN 0.713 nan 8.230 nan 0.000 0.441 430 H N 0.245 119.295 119.070 -0.033 0.000 2.713 430 H HA 0.141 4.702 4.556 0.009 0.000 0.178 430 H C 1.012 176.317 175.328 -0.039 0.000 1.504 430 H CA 0.041 56.064 56.048 -0.042 0.000 1.541 430 H CB 0.044 29.773 29.762 -0.056 0.000 1.513 430 H HN 0.027 nan 8.280 nan 0.000 0.732 431 R N -1.191 119.438 120.500 0.214 0.000 2.469 431 R HA 0.204 4.547 4.340 0.004 0.000 0.250 431 R C 2.033 178.395 176.300 0.103 0.000 0.909 431 R CA -0.095 56.060 56.100 0.091 0.000 1.050 431 R CB 0.135 30.466 30.300 0.051 0.000 1.256 431 R HN 0.149 nan 8.270 nan 0.000 0.550 432 L N 0.479 121.868 121.223 0.277 0.000 2.456 432 L HA 0.073 4.415 4.340 0.004 0.000 0.224 432 L C 2.033 178.833 176.870 -0.117 0.000 1.148 432 L CA 1.630 56.520 54.840 0.083 0.000 0.825 432 L CB -0.692 41.394 42.059 0.046 0.000 0.937 432 L HN 0.336 nan 8.230 nan 0.000 0.450 433 G N -0.533 108.213 108.800 -0.090 0.000 2.471 433 G HA2 -0.046 3.917 3.960 0.004 0.000 0.219 433 G HA3 -0.046 3.917 3.960 0.004 0.000 0.219 433 G C 0.882 175.831 174.900 0.083 0.000 1.125 433 G CA 0.129 45.158 45.100 -0.119 0.000 0.775 433 G HN 0.344 nan 8.290 nan 0.000 0.548 434 I N 0.913 121.528 120.570 0.076 0.000 2.502 434 I HA 0.306 4.478 4.170 0.004 0.000 0.276 434 I C -0.575 175.612 176.117 0.117 0.000 1.057 434 I CA -0.320 61.068 61.300 0.146 0.000 1.163 434 I CB 1.246 39.298 38.000 0.087 0.000 1.288 434 I HN 0.059 nan 8.210 nan 0.000 0.479 435 Q N 3.548 123.472 119.800 0.206 0.000 2.378 435 Q HA 0.845 5.187 4.340 0.004 0.000 0.276 435 Q C -0.648 175.329 176.000 -0.038 0.000 1.083 435 Q CA -0.965 54.867 55.803 0.047 0.000 0.856 435 Q CB 3.056 31.829 28.738 0.059 0.000 1.383 435 Q HN 0.699 nan 8.270 nan 0.000 0.458 436 A N 1.184 123.796 122.820 -0.347 0.000 2.342 436 A HA 0.820 5.142 4.320 0.004 0.000 0.323 436 A C -1.408 175.807 177.584 -0.614 0.000 1.125 436 A CA -0.349 51.531 52.037 -0.261 0.000 0.785 436 A CB 0.475 19.406 19.000 -0.116 0.000 1.221 436 A HN 0.550 nan 8.150 nan 0.000 0.463 437 F N 0.090 120.108 119.950 0.114 0.000 2.601 437 F HA 0.359 4.887 4.527 0.001 0.000 0.309 437 F C 0.302 176.162 175.800 0.100 0.000 1.089 437 F CA -0.663 57.402 58.000 0.108 0.000 0.940 437 F CB 1.963 41.021 39.000 0.097 0.000 1.273 437 F HN 0.724 nan 8.300 nan 0.000 0.450 438 E N 1.920 122.288 120.200 0.281 0.000 2.220 438 E HA 0.278 4.630 4.350 0.004 0.000 0.272 438 E C -2.759 173.935 176.600 0.157 0.000 1.099 438 E CA -1.835 54.675 56.400 0.183 0.000 0.907 438 E CB 0.096 29.896 29.700 0.166 0.000 1.022 438 E HN 0.115 nan 8.360 nan 0.000 0.428 439 P HA -0.046 nan 4.420 nan 0.000 0.267 439 P C -0.679 176.656 177.300 0.060 0.000 1.205 439 P CA -0.184 62.980 63.100 0.107 0.000 0.765 439 P CB 0.817 32.587 31.700 0.116 0.000 0.828 440 V N 1.982 121.924 119.914 0.045 0.000 2.588 440 V HA 0.452 4.575 4.120 0.004 0.000 0.304 440 V C -0.342 175.758 176.094 0.009 0.000 1.042 440 V CA -1.094 61.217 62.300 0.019 0.000 0.877 440 V CB 1.477 33.307 31.823 0.011 0.000 0.996 440 V HN 0.245 nan 8.190 nan 0.000 0.425 441 L N 5.469 126.692 121.223 -0.001 0.000 2.410 441 L HA 0.470 4.812 4.340 0.004 0.000 0.273 441 L C -0.076 176.779 176.870 -0.026 0.000 1.152 441 L CA 0.208 55.048 54.840 -0.000 0.000 0.855 441 L CB 0.883 42.943 42.059 0.002 0.000 1.129 441 L HN 0.609 nan 8.230 nan 0.000 0.463 442 I N 2.786 123.344 120.570 -0.019 0.000 2.692 442 I HA 0.188 4.361 4.170 0.004 0.000 0.293 442 I C -0.556 175.543 176.117 -0.030 0.000 1.200 442 I CA -0.564 60.707 61.300 -0.049 0.000 1.036 442 I CB 2.292 40.259 38.000 -0.055 0.000 1.258 442 I HN 0.569 nan 8.210 nan 0.000 0.421 443 E N 5.111 125.281 120.200 -0.050 0.000 2.328 443 E HA 0.553 4.905 4.350 0.004 0.000 0.265 443 E C -0.144 176.447 176.600 -0.014 0.000 1.057 443 E CA 0.644 57.030 56.400 -0.024 0.000 0.916 443 E CB 0.236 29.907 29.700 -0.049 0.000 0.993 443 E HN 0.878 nan 8.360 nan 0.000 0.446 444 G N 3.638 112.445 108.800 0.011 0.000 2.352 444 G HA2 0.083 4.045 3.960 0.004 0.000 0.302 444 G HA3 0.083 4.045 3.960 0.004 0.000 0.302 444 G C -1.013 173.899 174.900 0.019 0.000 1.370 444 G CA -0.878 44.227 45.100 0.008 0.000 0.918 444 G HN 0.347 nan 8.290 nan 0.000 0.610 445 K N 0.156 120.565 120.400 0.015 0.000 3.010 445 K HA 0.627 4.949 4.320 0.004 0.000 0.211 445 K C 0.079 176.688 176.600 0.015 0.000 1.146 445 K CA 0.281 56.579 56.287 0.019 0.000 1.070 445 K CB 1.183 33.694 32.500 0.018 0.000 0.908 445 K HN 0.931 nan 8.250 nan 0.000 0.463 446 A N 0.694 123.522 122.820 0.013 0.000 2.594 446 A HA 0.619 4.941 4.320 0.004 0.000 0.291 446 A C -1.183 176.408 177.584 0.013 0.000 1.105 446 A CA -0.777 51.269 52.037 0.014 0.000 0.694 446 A CB 1.057 20.064 19.000 0.012 0.000 1.291 446 A HN 0.284 nan 8.150 nan 0.000 0.410 447 I N 1.857 122.438 120.570 0.017 0.000 2.306 447 I HA 0.186 4.359 4.170 0.004 0.000 0.288 447 I C -0.020 176.106 176.117 0.015 0.000 1.036 447 I CA -0.111 61.197 61.300 0.013 0.000 1.221 447 I CB 1.190 39.193 38.000 0.006 0.000 1.385 447 I HN 0.641 nan 8.210 nan 0.000 0.472 448 Q N 5.301 125.097 119.800 -0.006 0.000 2.296 448 Q HA 0.367 4.709 4.340 0.004 0.000 0.262 448 Q C -0.809 175.173 176.000 -0.029 0.000 0.981 448 Q CA -0.401 55.386 55.803 -0.027 0.000 0.905 448 Q CB 1.779 30.486 28.738 -0.051 0.000 1.186 448 Q HN 0.419 nan 8.270 nan 0.000 0.399 449 L N 1.911 123.143 121.223 0.016 0.000 2.342 449 L HA 0.349 4.691 4.340 0.004 0.000 0.271 449 L C -0.696 176.188 176.870 0.024 0.000 1.008 449 L CA -0.729 54.113 54.840 0.004 0.000 0.818 449 L CB 1.426 43.529 42.059 0.073 0.000 1.296 449 L HN 0.600 nan 8.230 nan 0.000 0.427 450 H N 5.073 124.065 119.070 -0.129 0.000 2.928 450 H HA 0.203 4.761 4.556 0.003 0.000 0.338 450 H C -1.856 173.514 175.328 0.071 0.000 1.047 450 H CA -0.571 55.439 56.048 -0.064 0.000 1.435 450 H CB 1.065 30.758 29.762 -0.116 0.000 1.428 450 H HN 0.461 nan 8.280 nan 0.000 0.590 451 P HA -0.146 nan 4.420 nan 0.000 0.218 451 P C 1.264 178.576 177.300 0.021 0.000 1.152 451 P CA 0.717 63.764 63.100 -0.087 0.000 0.826 451 P CB 0.483 32.122 31.700 -0.101 0.000 0.790 452 L N -0.591 120.613 121.223 -0.032 0.000 2.376 452 L HA 0.012 4.354 4.340 0.004 0.000 0.219 452 L C 2.303 179.362 176.870 0.314 0.000 1.133 452 L CA 1.113 56.088 54.840 0.224 0.000 0.816 452 L CB -1.344 40.929 42.059 0.357 0.000 0.933 452 L HN -0.065 nan 8.230 nan 0.000 0.449 453 V N -1.322 118.843 119.914 0.418 0.000 3.649 453 V HA -0.101 4.022 4.120 0.004 0.000 0.275 453 V C 2.141 178.456 176.094 0.369 0.000 1.281 453 V CA 0.408 62.938 62.300 0.383 0.000 1.143 453 V CB 0.018 32.118 31.823 0.461 0.000 0.892 453 V HN 0.466 nan 8.190 nan 0.000 0.441 454 C N 0.582 120.052 119.300 0.282 0.000 2.419 454 C HA -0.021 4.442 4.460 0.004 0.000 0.283 454 C C 2.879 177.974 174.990 0.175 0.000 1.373 454 C CA 0.906 60.059 59.018 0.225 0.000 1.781 454 C CB -1.457 26.387 27.740 0.173 0.000 1.886 454 C HN 0.705 nan 8.230 nan 0.000 0.520 455 A N 0.211 123.121 122.820 0.150 0.000 2.066 455 A HA 0.231 4.554 4.320 0.004 0.000 0.218 455 A C 2.256 179.887 177.584 0.079 0.000 1.157 455 A CA 1.670 53.765 52.037 0.097 0.000 0.670 455 A CB -0.391 18.655 19.000 0.077 0.000 0.804 455 A HN 0.552 nan 8.150 nan 0.000 0.453 456 A N -1.518 121.350 122.820 0.081 0.000 1.911 456 A HA 0.155 4.477 4.320 0.004 0.000 0.212 456 A C 1.788 179.336 177.584 -0.060 0.000 1.189 456 A CA 0.873 52.897 52.037 -0.020 0.000 0.639 456 A CB -0.530 18.388 19.000 -0.137 0.000 0.839 456 A HN 0.518 nan 8.150 nan 0.000 0.449 457 Y N 1.016 121.375 120.300 0.099 0.000 2.529 457 Y HA 0.026 4.576 4.550 0.000 0.000 0.290 457 Y C 0.840 176.746 175.900 0.010 0.000 1.177 457 Y CA 0.217 58.349 58.100 0.052 0.000 1.305 457 Y CB -0.822 37.655 38.460 0.028 0.000 1.047 457 Y HN 0.726 nan 8.280 nan 0.000 0.522 458 N N -0.268 118.509 118.700 0.129 0.000 2.702 458 N HA -0.210 4.533 4.740 0.004 0.000 0.261 458 N C -0.588 174.938 175.510 0.027 0.000 0.965 458 N CA 0.398 53.488 53.050 0.067 0.000 0.795 458 N CB -1.030 37.490 38.487 0.056 0.000 0.909 458 N HN 0.263 nan 8.380 nan 0.000 0.546 459 A N 0.068 122.879 122.820 -0.016 0.000 2.454 459 A HA 0.637 4.959 4.320 0.004 0.000 0.302 459 A C -0.865 176.571 177.584 -0.248 0.000 1.079 459 A CA -0.462 51.508 52.037 -0.112 0.000 0.731 459 A CB 1.292 20.216 19.000 -0.127 0.000 1.299 459 A HN 0.501 nan 8.150 nan 0.000 0.413 460 D N -0.586 119.675 120.400 -0.232 0.000 2.272 460 D HA 0.497 5.140 4.640 0.004 0.000 0.247 460 D C -0.884 175.217 176.300 -0.330 0.000 0.990 460 D CA -0.764 53.091 54.000 -0.241 0.000 0.931 460 D CB 0.571 41.339 40.800 -0.053 0.000 1.195 460 D HN 0.229 nan 8.370 nan 0.000 0.477 461 F N 0.523 120.471 119.950 -0.003 0.000 2.752 461 F HA 0.156 4.688 4.527 0.008 0.000 0.332 461 F C 0.898 176.693 175.800 -0.009 0.000 1.188 461 F CA -0.547 57.446 58.000 -0.013 0.000 1.296 461 F CB -0.030 38.956 39.000 -0.023 0.000 1.526 461 F HN 0.267 nan 8.300 nan 0.000 0.576 462 D N -1.111 119.339 120.400 0.083 0.000 2.389 462 D HA 0.214 4.856 4.640 0.004 0.000 0.206 462 D C 1.562 177.886 176.300 0.040 0.000 1.055 462 D CA 0.549 54.585 54.000 0.059 0.000 0.856 462 D CB 0.602 41.420 40.800 0.031 0.000 0.957 462 D HN 0.360 nan 8.370 nan 0.000 0.509 463 G N 1.272 110.091 108.800 0.033 0.000 2.665 463 G HA2 -0.098 3.864 3.960 0.004 0.000 0.220 463 G HA3 -0.098 3.864 3.960 0.004 0.000 0.220 463 G C -0.294 174.608 174.900 0.004 0.000 1.002 463 G CA 0.002 45.115 45.100 0.022 0.000 0.893 463 G HN 0.410 nan 8.290 nan 0.000 0.586 464 D N -0.083 120.308 120.400 -0.015 0.000 2.228 464 D HA 0.523 5.165 4.640 0.004 0.000 0.259 464 D C 0.412 176.698 176.300 -0.023 0.000 1.249 464 D CA 0.039 54.019 54.000 -0.033 0.000 0.997 464 D CB 0.436 41.191 40.800 -0.077 0.000 1.151 464 D HN 0.399 nan 8.370 nan 0.000 0.536 465 Q N -1.372 118.410 119.800 -0.030 0.000 2.438 465 Q HA 0.441 4.784 4.340 0.004 0.000 0.272 465 Q C -1.895 174.089 176.000 -0.026 0.000 0.994 465 Q CA -0.647 55.144 55.803 -0.021 0.000 0.887 465 Q CB 1.807 30.538 28.738 -0.012 0.000 1.432 465 Q HN 0.634 nan 8.270 nan 0.000 0.392 466 M N 2.701 122.284 119.600 -0.028 0.000 2.378 466 M HA 0.804 5.286 4.480 0.004 0.000 0.289 466 M C -1.814 174.468 176.300 -0.030 0.000 1.136 466 M CA -0.433 54.850 55.300 -0.028 0.000 0.917 466 M CB 2.002 34.568 32.600 -0.058 0.000 1.669 466 M HN 0.742 nan 8.290 nan 0.000 0.461 467 A N 3.499 126.301 122.820 -0.031 0.000 2.279 467 A HA 0.820 5.143 4.320 0.004 0.000 0.303 467 A C -1.152 176.367 177.584 -0.107 0.000 1.108 467 A CA -0.587 51.399 52.037 -0.086 0.000 0.830 467 A CB 1.173 20.100 19.000 -0.121 0.000 1.106 467 A HN 0.668 nan 8.150 nan 0.000 0.493 468 V N 2.659 122.466 119.914 -0.178 0.000 2.709 468 V HA 0.390 4.512 4.120 0.004 0.000 0.308 468 V C -0.603 175.346 176.094 -0.241 0.000 1.062 468 V CA -0.685 61.547 62.300 -0.113 0.000 0.901 468 V CB 1.689 33.507 31.823 -0.008 0.000 1.003 468 V HN 0.973 nan 8.190 nan 0.000 0.425 469 H N 2.561 121.663 119.070 0.054 0.000 2.567 469 H HA 0.739 5.295 4.556 -0.000 0.000 0.345 469 H C -0.703 174.639 175.328 0.024 0.000 1.169 469 H CA -0.548 55.525 56.048 0.040 0.000 1.227 469 H CB 2.465 32.257 29.762 0.050 0.000 1.607 469 H HN 0.546 nan 8.280 nan 0.000 0.534 470 V N 0.070 120.047 119.914 0.104 0.000 2.525 470 V HA 0.385 4.508 4.120 0.004 0.000 0.299 470 V C -2.775 173.325 176.094 0.010 0.000 1.034 470 V CA -2.224 60.071 62.300 -0.009 0.000 0.863 470 V CB 1.244 32.872 31.823 -0.326 0.000 0.999 470 V HN 0.505 nan 8.190 nan 0.000 0.423 471 P HA 0.406 nan 4.420 nan 0.000 0.271 471 P C 0.024 177.348 177.300 0.040 0.000 1.216 471 P CA -0.203 62.931 63.100 0.058 0.000 0.776 471 P CB 1.427 33.170 31.700 0.072 0.000 0.881 472 L N 0.533 121.808 121.223 0.087 0.000 2.435 472 L HA 0.148 4.491 4.340 0.004 0.000 0.195 472 L C 1.290 178.269 176.870 0.181 0.000 1.072 472 L CA 1.176 56.124 54.840 0.181 0.000 0.833 472 L CB -1.020 41.156 42.059 0.195 0.000 1.081 472 L HN 0.348 nan 8.230 nan 0.000 0.485 473 T N -0.102 114.527 114.554 0.126 0.000 2.930 473 T HA 0.034 4.386 4.350 0.004 0.000 0.306 473 T C 1.333 176.090 174.700 0.095 0.000 1.045 473 T CA 0.126 62.289 62.100 0.106 0.000 1.134 473 T CB 0.389 69.303 68.868 0.078 0.000 0.961 473 T HN 0.212 nan 8.240 nan 0.000 0.545 474 L N 3.420 124.697 121.223 0.090 0.000 2.141 474 L HA 0.009 4.351 4.340 0.004 0.000 0.209 474 L C 2.712 179.612 176.870 0.049 0.000 1.094 474 L CA 1.402 56.285 54.840 0.071 0.000 0.763 474 L CB -0.336 41.762 42.059 0.065 0.000 0.908 474 L HN 0.747 nan 8.230 nan 0.000 0.437 475 E N 0.401 120.630 120.200 0.048 0.000 2.085 475 E HA -0.266 4.087 4.350 0.004 0.000 0.194 475 E C 2.019 178.640 176.600 0.035 0.000 0.994 475 E CA 1.578 58.001 56.400 0.039 0.000 0.801 475 E CB -0.022 29.703 29.700 0.041 0.000 0.743 475 E HN 0.609 nan 8.360 nan 0.000 0.453 476 A N 0.894 123.738 122.820 0.041 0.000 1.969 476 A HA -0.177 4.145 4.320 0.004 0.000 0.218 476 A C 2.154 179.758 177.584 0.034 0.000 1.169 476 A CA 1.537 53.596 52.037 0.036 0.000 0.635 476 A CB -0.527 18.499 19.000 0.043 0.000 0.810 476 A HN 0.370 nan 8.150 nan 0.000 0.445 477 Q N -0.687 119.137 119.800 0.039 0.000 2.170 477 Q HA -0.129 4.213 4.340 0.004 0.000 0.203 477 Q C 1.918 177.921 176.000 0.005 0.000 0.976 477 Q CA 1.269 57.089 55.803 0.028 0.000 0.858 477 Q CB -0.135 28.620 28.738 0.030 0.000 0.907 477 Q HN 0.591 nan 8.270 nan 0.000 0.433 478 L N 0.689 121.916 121.223 0.007 0.000 2.095 478 L HA -0.084 4.258 4.340 0.004 0.000 0.204 478 L C 1.566 178.435 176.870 -0.001 0.000 1.080 478 L CA 1.796 56.636 54.840 -0.001 0.000 0.759 478 L CB -0.526 41.537 42.059 0.006 0.000 0.914 478 L HN 0.307 nan 8.230 nan 0.000 0.439 479 E N 0.020 120.224 120.200 0.006 0.000 2.268 479 E HA -0.128 4.224 4.350 0.004 0.000 0.195 479 E C 2.034 178.631 176.600 -0.005 0.000 0.995 479 E CA 0.890 57.291 56.400 0.002 0.000 0.836 479 E CB -0.003 29.701 29.700 0.007 0.000 0.763 479 E HN 0.574 nan 8.360 nan 0.000 0.491 480 A N 1.108 123.927 122.820 -0.001 0.000 2.119 480 A HA -0.085 4.238 4.320 0.004 0.000 0.217 480 A C 1.741 179.308 177.584 -0.027 0.000 1.153 480 A CA 0.774 52.806 52.037 -0.008 0.000 0.692 480 A CB -0.041 18.967 19.000 0.012 0.000 0.799 480 A HN 0.052 nan 8.150 nan 0.000 0.458 481 R N -1.589 118.897 120.500 -0.024 0.000 2.577 481 R HA 0.419 4.761 4.340 0.004 0.000 0.344 481 R C 1.220 177.503 176.300 -0.027 0.000 1.037 481 R CA 0.540 56.620 56.100 -0.033 0.000 1.102 481 R CB 0.448 30.729 30.300 -0.032 0.000 1.313 481 R HN 0.399 nan 8.270 nan 0.000 0.561 482 A N 0.580 123.387 122.820 -0.021 0.000 1.988 482 A HA 0.099 4.422 4.320 0.004 0.000 0.201 482 A C 1.341 178.918 177.584 -0.011 0.000 1.410 482 A CA 0.335 52.364 52.037 -0.013 0.000 0.832 482 A CB 0.366 19.361 19.000 -0.007 0.000 0.981 482 A HN 0.190 nan 8.150 nan 0.000 0.492 483 L N -4.520 116.693 121.223 -0.018 0.000 3.154 483 L HA 0.428 4.770 4.340 0.004 0.000 0.280 483 L C 1.469 178.320 176.870 -0.032 0.000 1.134 483 L CA 0.243 55.072 54.840 -0.018 0.000 1.037 483 L CB -0.412 41.640 42.059 -0.012 0.000 1.571 483 L HN -0.007 nan 8.230 nan 0.000 0.576 484 M N 0.407 119.985 119.600 -0.037 0.000 2.319 484 M HA 0.178 4.660 4.480 0.004 0.000 0.265 484 M C 1.156 177.394 176.300 -0.102 0.000 1.068 484 M CA 0.869 56.141 55.300 -0.047 0.000 1.118 484 M CB -0.442 32.142 32.600 -0.028 0.000 1.395 484 M HN 0.467 nan 8.290 nan 0.000 0.435 485 M N -0.402 119.128 119.600 -0.117 0.000 2.219 485 M HA -0.090 4.392 4.480 0.004 0.000 0.307 485 M C 1.486 177.661 176.300 -0.208 0.000 1.116 485 M CA 0.438 55.619 55.300 -0.198 0.000 1.181 485 M CB 0.814 33.337 32.600 -0.127 0.000 1.410 485 M HN 0.068 nan 8.290 nan 0.000 0.454 486 S N -0.137 115.376 115.700 -0.312 0.000 2.486 486 S HA -0.036 4.436 4.470 0.004 0.000 0.220 486 S C 1.539 176.118 174.600 -0.034 0.000 1.011 486 S CA 1.158 59.259 58.200 -0.165 0.000 0.921 486 S CB -0.065 63.047 63.200 -0.147 0.000 0.785 486 S HN 0.936 nan 8.310 nan 0.000 0.517 487 T N 2.249 116.789 114.554 -0.022 0.000 3.072 487 T HA -0.012 4.340 4.350 0.004 0.000 0.266 487 T C 1.254 175.966 174.700 0.019 0.000 1.127 487 T CA 1.529 63.645 62.100 0.026 0.000 1.107 487 T CB -0.468 68.411 68.868 0.019 0.000 0.910 487 T HN 0.754 nan 8.240 nan 0.000 0.513 488 N N -0.240 118.458 118.700 -0.003 0.000 2.250 488 N HA 0.091 4.833 4.740 0.004 0.000 0.190 488 N C 0.215 175.720 175.510 -0.009 0.000 1.116 488 N CA -0.013 53.049 53.050 0.020 0.000 0.881 488 N CB -0.401 38.097 38.487 0.019 0.000 1.006 488 N HN 0.280 nan 8.380 nan 0.000 0.491 489 N N 0.764 119.441 118.700 -0.037 0.000 3.114 489 N HA 0.225 4.968 4.740 0.004 0.000 0.289 489 N C -0.033 175.429 175.510 -0.079 0.000 1.519 489 N CA -0.285 52.728 53.050 -0.061 0.000 1.026 489 N CB 0.715 39.170 38.487 -0.053 0.000 1.306 489 N HN 0.041 nan 8.380 nan 0.000 0.495 490 I N -0.017 120.477 120.570 -0.126 0.000 2.429 490 I HA 0.050 4.222 4.170 0.004 0.000 0.247 490 I C 1.083 177.108 176.117 -0.153 0.000 1.099 490 I CA 0.723 61.948 61.300 -0.125 0.000 1.422 490 I CB -0.346 37.563 38.000 -0.151 0.000 1.112 490 I HN 0.322 nan 8.210 nan 0.000 0.430 491 L N 1.109 122.195 121.223 -0.228 0.000 2.475 491 L HA 0.147 4.490 4.340 0.004 0.000 0.253 491 L C 0.827 177.615 176.870 -0.137 0.000 1.198 491 L CA 0.279 55.007 54.840 -0.186 0.000 0.814 491 L CB 0.270 42.194 42.059 -0.225 0.000 1.134 491 L HN 0.239 nan 8.230 nan 0.000 0.478 492 S N -0.214 115.417 115.700 -0.115 0.000 2.457 492 S HA 0.379 4.851 4.470 0.004 0.000 0.289 492 S C -2.005 172.538 174.600 -0.095 0.000 1.163 492 S CA -1.162 56.967 58.200 -0.118 0.000 1.078 492 S CB 1.493 64.625 63.200 -0.114 0.000 0.987 492 S HN 0.381 nan 8.310 nan 0.000 0.482 493 P HA -0.056 nan 4.420 nan 0.000 0.216 493 P C 1.534 178.795 177.300 -0.064 0.000 1.150 493 P CA 1.591 64.656 63.100 -0.059 0.000 0.837 493 P CB -0.061 31.601 31.700 -0.063 0.000 0.786 494 A N -0.434 122.306 122.820 -0.133 0.000 1.821 494 A HA -0.233 4.089 4.320 0.004 0.000 0.215 494 A C 2.219 179.750 177.584 -0.088 0.000 1.216 494 A CA 2.116 54.041 52.037 -0.187 0.000 0.615 494 A CB -1.629 17.265 19.000 -0.178 0.000 0.862 494 A HN 0.192 nan 8.150 nan 0.000 0.450 495 N N -2.514 116.145 118.700 -0.067 0.000 2.297 495 N HA 0.256 4.998 4.740 0.004 0.000 0.204 495 N C 1.033 176.531 175.510 -0.021 0.000 1.036 495 N CA 1.044 54.074 53.050 -0.033 0.000 0.991 495 N CB 0.338 38.803 38.487 -0.036 0.000 1.198 495 N HN 0.513 nan 8.380 nan 0.000 0.515 496 G N -0.043 108.736 108.800 -0.035 0.000 4.362 496 G HA2 -0.027 3.935 3.960 0.004 0.000 0.220 496 G HA3 -0.027 3.935 3.960 0.004 0.000 0.220 496 G C -0.937 173.938 174.900 -0.042 0.000 0.795 496 G CA -0.432 44.648 45.100 -0.033 0.000 0.920 496 G HN 0.256 nan 8.290 nan 0.000 0.715 497 E N 1.411 121.585 120.200 -0.044 0.000 2.301 497 E HA 0.373 4.725 4.350 0.004 0.000 0.275 497 E C -2.578 173.988 176.600 -0.057 0.000 1.030 497 E CA -2.055 54.320 56.400 -0.042 0.000 0.852 497 E CB 1.303 30.984 29.700 -0.030 0.000 1.060 497 E HN 0.016 nan 8.360 nan 0.000 0.401 498 P HA -0.040 nan 4.420 nan 0.000 0.258 498 P C 0.667 177.942 177.300 -0.041 0.000 1.187 498 P CA 0.156 63.223 63.100 -0.054 0.000 0.767 498 P CB 0.249 31.932 31.700 -0.029 0.000 0.770 499 I N 5.405 125.941 120.570 -0.056 0.000 2.500 499 I HA 0.017 4.190 4.170 0.004 0.000 0.252 499 I C 0.830 176.939 176.117 -0.014 0.000 1.142 499 I CA 0.454 61.722 61.300 -0.053 0.000 1.451 499 I CB -0.109 37.832 38.000 -0.098 0.000 1.093 499 I HN 0.257 nan 8.210 nan 0.000 0.430 500 I N 3.377 123.951 120.570 0.006 0.000 2.322 500 I HA 0.311 4.483 4.170 0.004 0.000 0.292 500 I C -0.689 175.465 176.117 0.061 0.000 1.060 500 I CA -0.359 60.972 61.300 0.051 0.000 1.309 500 I CB 0.011 38.059 38.000 0.080 0.000 1.415 500 I HN -0.018 nan 8.210 nan 0.000 0.492 501 V N 4.478 124.429 119.914 0.062 0.000 3.078 501 V HA 0.685 4.807 4.120 0.004 0.000 0.311 501 V C -2.649 173.478 176.094 0.056 0.000 1.138 501 V CA -2.252 60.083 62.300 0.058 0.000 1.007 501 V CB 1.026 32.871 31.823 0.037 0.000 1.045 501 V HN 0.547 nan 8.190 nan 0.000 0.432 502 P HA 0.203 nan 4.420 nan 0.000 0.264 502 P C 0.233 177.537 177.300 0.006 0.000 1.179 502 P CA 0.574 63.682 63.100 0.014 0.000 0.763 502 P CB 0.585 32.282 31.700 -0.004 0.000 0.806 503 S N 1.536 117.234 115.700 -0.003 0.000 2.661 503 S HA -0.007 4.465 4.470 0.004 0.000 0.162 503 S C 1.436 176.023 174.600 -0.023 0.000 0.788 503 S CA 0.177 58.381 58.200 0.008 0.000 1.003 503 S CB -0.274 62.952 63.200 0.043 0.000 0.713 503 S HN 0.669 nan 8.310 nan 0.000 0.519 504 Q N 0.459 120.243 119.800 -0.027 0.000 2.581 504 Q HA 0.252 4.594 4.340 0.004 0.000 0.222 504 Q C 0.636 176.559 176.000 -0.128 0.000 0.904 504 Q CA 0.416 56.187 55.803 -0.054 0.000 0.923 504 Q CB -0.268 28.465 28.738 -0.008 0.000 1.117 504 Q HN 0.208 nan 8.270 nan 0.000 0.618 505 D N 1.793 122.116 120.400 -0.129 0.000 2.149 505 D HA -0.075 4.568 4.640 0.004 0.000 0.206 505 D C 2.215 178.265 176.300 -0.417 0.000 0.967 505 D CA 1.733 55.590 54.000 -0.238 0.000 0.848 505 D CB -0.057 40.708 40.800 -0.057 0.000 0.998 505 D HN 0.251 nan 8.370 nan 0.000 0.474 506 V N -0.146 119.468 119.914 -0.500 0.000 2.568 506 V HA -0.137 3.985 4.120 0.004 0.000 0.253 506 V C 2.199 178.142 176.094 -0.252 0.000 1.072 506 V CA 1.299 63.294 62.300 -0.508 0.000 1.084 506 V CB -0.982 30.623 31.823 -0.364 0.000 0.676 506 V HN 0.087 nan 8.190 nan 0.000 0.469 507 V N -0.553 119.259 119.914 -0.170 0.000 2.878 507 V HA 0.049 4.171 4.120 0.004 0.000 0.250 507 V C 2.202 178.263 176.094 -0.055 0.000 1.075 507 V CA 1.575 63.825 62.300 -0.082 0.000 1.096 507 V CB 0.637 32.420 31.823 -0.066 0.000 0.724 507 V HN 0.533 nan 8.190 nan 0.000 0.467 508 L N 1.438 122.585 121.223 -0.127 0.000 2.056 508 L HA 0.139 4.482 4.340 0.004 0.000 0.207 508 L C 2.325 179.184 176.870 -0.019 0.000 1.078 508 L CA 2.588 57.363 54.840 -0.107 0.000 0.749 508 L CB -1.341 40.542 42.059 -0.292 0.000 0.901 508 L HN 0.292 nan 8.230 nan 0.000 0.433 509 G N -0.686 108.065 108.800 -0.081 0.000 2.422 509 G HA2 -0.169 3.794 3.960 0.004 0.000 0.218 509 G HA3 -0.169 3.794 3.960 0.004 0.000 0.218 509 G C 1.540 176.467 174.900 0.046 0.000 1.140 509 G CA 0.973 46.072 45.100 -0.002 0.000 0.775 509 G HN 0.440 nan 8.290 nan 0.000 0.545 510 L N -1.464 119.774 121.223 0.025 0.000 2.131 510 L HA 0.106 4.448 4.340 0.004 0.000 0.206 510 L C 2.488 179.400 176.870 0.069 0.000 1.087 510 L CA 0.634 55.494 54.840 0.033 0.000 0.767 510 L CB -0.350 41.728 42.059 0.032 0.000 0.917 510 L HN 0.234 nan 8.230 nan 0.000 0.441 511 Y N -0.885 119.414 120.300 -0.002 0.000 2.439 511 Y HA -0.273 4.279 4.550 0.005 0.000 0.292 511 Y C 2.467 178.387 175.900 0.033 0.000 1.130 511 Y CA 1.154 59.259 58.100 0.008 0.000 1.254 511 Y CB 0.005 38.468 38.460 0.005 0.000 1.000 511 Y HN 0.111 nan 8.280 nan 0.000 0.554 512 Y N 0.625 120.932 120.300 0.012 0.000 2.176 512 Y HA -0.234 4.318 4.550 0.004 0.000 0.291 512 Y C 2.467 178.283 175.900 -0.140 0.000 1.122 512 Y CA 2.042 60.120 58.100 -0.037 0.000 1.128 512 Y CB -0.353 38.109 38.460 0.004 0.000 1.005 512 Y HN 0.214 nan 8.280 nan 0.000 0.509 513 M N -1.357 118.196 119.600 -0.077 0.000 2.213 513 M HA -0.021 4.461 4.480 0.004 0.000 0.263 513 M C 0.416 176.586 176.300 -0.217 0.000 1.062 513 M CA 1.822 56.979 55.300 -0.238 0.000 1.105 513 M CB -0.774 31.630 32.600 -0.327 0.000 1.385 513 M HN -0.018 nan 8.290 nan 0.000 0.417 514 T N 2.830 117.265 114.554 -0.199 0.000 3.598 514 T HA 0.411 4.763 4.350 0.004 0.000 0.343 514 T C -0.482 174.026 174.700 -0.320 0.000 1.697 514 T CA -0.416 61.561 62.100 -0.205 0.000 1.247 514 T CB -0.293 68.486 68.868 -0.149 0.000 1.210 514 T HN 0.371 nan 8.240 nan 0.000 0.820 515 R N 1.474 121.797 120.500 -0.295 0.000 2.621 515 R HA 0.481 4.824 4.340 0.004 0.000 0.284 515 R C -1.274 174.908 176.300 -0.196 0.000 0.998 515 R CA -0.457 55.459 56.100 -0.307 0.000 0.895 515 R CB 1.446 31.531 30.300 -0.358 0.000 1.195 515 R HN 0.186 nan 8.270 nan 0.000 0.450 516 D N 1.040 121.352 120.400 -0.147 0.000 3.107 516 D HA 0.330 4.972 4.640 0.004 0.000 0.197 516 D C 0.164 176.427 176.300 -0.062 0.000 1.221 516 D CA -0.134 53.813 54.000 -0.088 0.000 1.209 516 D CB 0.377 41.139 40.800 -0.062 0.000 1.096 516 D HN 0.488 nan 8.370 nan 0.000 0.456 517 C N -0.290 118.991 119.300 -0.032 0.000 4.723 517 C HA 0.287 4.749 4.460 0.004 0.000 0.390 517 C C 0.556 175.547 174.990 0.001 0.000 1.782 517 C CA 0.777 59.786 59.018 -0.015 0.000 1.895 517 C CB -0.884 26.848 27.740 -0.013 0.000 2.881 517 C HN 0.564 nan 8.230 nan 0.000 0.600 518 V N 0.881 120.798 119.914 0.005 0.000 0.757 518 V HA -0.190 3.933 4.120 0.004 0.000 0.093 518 V C 0.295 176.404 176.094 0.024 0.000 0.851 518 V CA 1.682 63.989 62.300 0.012 0.000 3.053 518 V CB -1.754 30.071 31.823 0.004 0.000 0.311 518 V HN 1.848 nan 8.190 nan 0.000 0.092 519 N N -0.845 117.866 118.700 0.018 0.000 2.681 519 N HA 0.049 4.791 4.740 0.004 0.000 0.259 519 N C -0.454 175.084 175.510 0.046 0.000 1.066 519 N CA 1.898 54.962 53.050 0.022 0.000 0.717 519 N CB -1.361 37.136 38.487 0.016 0.000 0.885 519 N HN 2.175 nan 8.380 nan 0.000 0.547 520 A N 0.954 123.804 122.820 0.049 0.000 2.247 520 A HA 0.667 4.989 4.320 0.004 0.000 0.313 520 A C 1.103 178.729 177.584 0.070 0.000 1.109 520 A CA 0.014 52.116 52.037 0.108 0.000 0.890 520 A CB 0.741 19.781 19.000 0.067 0.000 1.239 520 A HN 0.423 nan 8.150 nan 0.000 0.506 521 K N -1.075 119.400 120.400 0.124 0.000 2.216 521 K HA 0.370 4.692 4.320 0.004 0.000 0.207 521 K C 1.068 177.683 176.600 0.025 0.000 1.041 521 K CA 0.880 57.214 56.287 0.078 0.000 0.966 521 K CB 0.284 32.850 32.500 0.109 0.000 0.955 521 K HN 0.838 nan 8.250 nan 0.000 0.468 522 G N 0.245 109.054 108.800 0.014 0.000 3.091 522 G HA2 0.082 4.044 3.960 0.004 0.000 0.137 522 G HA3 0.082 4.044 3.960 0.004 0.000 0.137 522 G C -1.530 173.302 174.900 -0.114 0.000 1.180 522 G CA -0.271 44.794 45.100 -0.059 0.000 1.466 522 G HN 0.093 nan 8.290 nan 0.000 0.704 523 E N -0.623 119.590 120.200 0.021 0.000 2.335 523 E HA 0.610 4.963 4.350 0.004 0.000 0.280 523 E C -0.358 176.314 176.600 0.121 0.000 0.918 523 E CA 0.236 56.680 56.400 0.073 0.000 0.765 523 E CB 1.406 31.103 29.700 -0.005 0.000 1.218 523 E HN 1.181 nan 8.360 nan 0.000 0.425 524 G N 2.351 111.252 108.800 0.169 0.000 2.663 524 G HA2 0.238 4.201 3.960 0.004 0.000 0.299 524 G HA3 0.238 4.201 3.960 0.004 0.000 0.299 524 G C 0.167 175.117 174.900 0.084 0.000 1.372 524 G CA -0.188 44.973 45.100 0.102 0.000 0.781 524 G HN 0.612 nan 8.290 nan 0.000 0.491 525 M N 0.109 119.739 119.600 0.049 0.000 2.077 525 M HA 0.063 4.545 4.480 0.004 0.000 0.261 525 M C 1.365 177.680 176.300 0.024 0.000 1.070 525 M CA 1.453 56.775 55.300 0.037 0.000 1.125 525 M CB -0.175 32.440 32.600 0.025 0.000 1.339 525 M HN 1.129 nan 8.290 nan 0.000 0.409 526 V N 2.393 122.308 119.914 0.002 0.000 5.239 526 V HA -0.260 3.862 4.120 0.004 0.000 0.368 526 V C 0.146 176.225 176.094 -0.025 0.000 0.692 526 V CA 0.877 63.154 62.300 -0.037 0.000 1.396 526 V CB -0.518 31.243 31.823 -0.104 0.000 1.652 526 V HN 0.610 nan 8.190 nan 0.000 0.463 527 L N 4.164 125.377 121.223 -0.016 0.000 2.803 527 L HA 0.439 4.781 4.340 0.004 0.000 0.246 527 L C 0.793 177.648 176.870 -0.025 0.000 1.100 527 L CA 0.919 55.767 54.840 0.014 0.000 0.919 527 L CB 1.053 43.136 42.059 0.041 0.000 1.285 527 L HN 0.790 nan 8.230 nan 0.000 0.522 528 T N -1.171 113.351 114.554 -0.054 0.000 3.012 528 T HA 0.558 4.910 4.350 0.004 0.000 0.330 528 T C -0.046 174.608 174.700 -0.077 0.000 1.321 528 T CA 0.358 62.407 62.100 -0.083 0.000 1.067 528 T CB 1.860 70.698 68.868 -0.051 0.000 1.235 528 T HN 0.342 nan 8.240 nan 0.000 0.479 529 G N 5.533 114.279 108.800 -0.091 0.000 2.793 529 G HA2 -0.085 3.878 3.960 0.004 0.000 0.197 529 G HA3 -0.085 3.878 3.960 0.004 0.000 0.197 529 G C -1.635 173.213 174.900 -0.085 0.000 2.112 529 G CA 0.406 45.461 45.100 -0.074 0.000 1.556 529 G HN 0.810 nan 8.290 nan 0.000 0.534 530 P HA 0.223 nan 4.420 nan 0.000 0.204 530 P C -0.165 177.068 177.300 -0.111 0.000 1.012 530 P CA 1.078 64.114 63.100 -0.107 0.000 0.835 530 P CB -0.305 31.308 31.700 -0.145 0.000 0.603 531 K N 0.088 120.409 120.400 -0.132 0.000 3.974 531 K HA -0.203 4.119 4.320 0.004 0.000 0.280 531 K C -0.196 176.350 176.600 -0.090 0.000 0.949 531 K CA 0.309 56.524 56.287 -0.121 0.000 0.817 531 K CB -1.753 30.661 32.500 -0.144 0.000 1.535 531 K HN 0.459 nan 8.250 nan 0.000 0.444 532 E N 1.004 121.156 120.200 -0.081 0.000 2.121 532 E HA 0.424 4.776 4.350 0.004 0.000 0.255 532 E C 0.701 177.273 176.600 -0.048 0.000 0.906 532 E CA 0.377 56.742 56.400 -0.059 0.000 0.745 532 E CB 0.628 30.297 29.700 -0.052 0.000 1.155 532 E HN 0.466 nan 8.360 nan 0.000 0.424 533 A N 4.737 127.530 122.820 -0.044 0.000 5.391 533 A HA -0.326 3.997 4.320 0.004 0.000 0.315 533 A C 0.484 178.047 177.584 -0.035 0.000 1.874 533 A CA 1.684 53.698 52.037 -0.038 0.000 0.714 533 A CB -1.060 17.919 19.000 -0.033 0.000 1.335 533 A HN 0.800 nan 8.150 nan 0.000 0.382 534 E N -0.022 120.159 120.200 -0.031 0.000 3.575 534 E HA 0.456 4.809 4.350 0.004 0.000 0.201 534 E C -0.043 176.545 176.600 -0.019 0.000 0.999 534 E CA -0.141 56.246 56.400 -0.022 0.000 1.315 534 E CB 0.107 29.795 29.700 -0.020 0.000 1.146 534 E HN 0.820 nan 8.360 nan 0.000 0.453 535 R N 0.377 120.869 120.500 -0.015 0.000 2.694 535 R HA 0.262 4.605 4.340 0.004 0.000 0.268 535 R C -0.069 176.250 176.300 0.032 0.000 1.061 535 R CA -0.549 55.552 56.100 0.001 0.000 1.133 535 R CB 0.341 30.644 30.300 0.005 0.000 1.020 535 R HN 0.319 nan 8.270 nan 0.000 0.475 536 L N 2.244 123.489 121.223 0.037 0.000 2.416 536 L HA 0.344 4.687 4.340 0.004 0.000 0.272 536 L C -1.019 175.938 176.870 0.146 0.000 1.161 536 L CA -0.100 54.773 54.840 0.055 0.000 0.845 536 L CB 0.316 42.382 42.059 0.011 0.000 1.119 536 L HN 0.770 nan 8.230 nan 0.000 0.464 537 Y N 3.764 124.051 120.300 -0.022 0.000 2.624 537 Y HA 0.331 4.883 4.550 0.004 0.000 0.334 537 Y C 0.284 176.176 175.900 -0.013 0.000 1.155 537 Y CA -0.983 57.108 58.100 -0.016 0.000 1.046 537 Y CB 1.106 39.559 38.460 -0.012 0.000 1.316 537 Y HN 0.525 nan 8.280 nan 0.000 0.457 538 R N 0.954 121.073 120.500 -0.635 0.000 2.107 538 R HA 0.080 4.423 4.340 0.004 0.000 0.223 538 R C -0.343 175.924 176.300 -0.055 0.000 1.138 538 R CA 1.455 57.346 56.100 -0.348 0.000 0.900 538 R CB -0.875 29.146 30.300 -0.464 0.000 0.814 538 R HN 0.541 nan 8.270 nan 0.000 0.437 539 S N -0.177 115.569 115.700 0.077 0.000 2.356 539 S HA 0.555 5.027 4.470 0.004 0.000 0.171 539 S C -0.266 174.534 174.600 0.334 0.000 1.399 539 S CA -0.170 58.148 58.200 0.196 0.000 1.225 539 S CB 1.633 64.887 63.200 0.090 0.000 1.271 539 S HN 0.668 nan 8.310 nan 0.000 0.427 540 G N 1.147 110.158 108.800 0.352 0.000 2.588 540 G HA2 0.645 4.608 3.960 0.004 0.000 0.281 540 G HA3 0.645 4.608 3.960 0.004 0.000 0.281 540 G C -0.907 173.957 174.900 -0.060 0.000 1.223 540 G CA -0.531 44.614 45.100 0.075 0.000 0.871 540 G HN 0.380 nan 8.290 nan 0.000 0.492 541 L N -1.059 120.036 121.223 -0.215 0.000 6.963 541 L HA -0.262 4.081 4.340 0.004 0.000 0.053 541 L C 2.365 179.205 176.870 -0.050 0.000 1.740 541 L CA 1.885 56.628 54.840 -0.163 0.000 1.613 541 L CB -1.948 40.015 42.059 -0.161 0.000 2.780 541 L HN 1.720 nan 8.230 nan 0.000 1.092 542 A N -0.946 121.861 122.820 -0.021 0.000 2.251 542 A HA 0.188 4.510 4.320 0.004 0.000 0.209 542 A C 1.797 179.423 177.584 0.071 0.000 1.187 542 A CA 1.170 53.233 52.037 0.045 0.000 0.823 542 A CB -0.283 18.733 19.000 0.027 0.000 0.846 542 A HN 0.606 nan 8.150 nan 0.000 0.486 543 S N -0.175 115.559 115.700 0.056 0.000 2.453 543 S HA 0.017 4.489 4.470 0.004 0.000 0.231 543 S C 1.341 175.981 174.600 0.067 0.000 1.005 543 S CA 0.789 59.028 58.200 0.065 0.000 0.949 543 S CB -0.022 63.224 63.200 0.076 0.000 0.774 543 S HN 0.463 nan 8.310 nan 0.000 0.510 544 L N -0.607 120.660 121.223 0.074 0.000 2.642 544 L HA 0.280 4.623 4.340 0.004 0.000 0.233 544 L C 1.819 178.731 176.870 0.070 0.000 1.077 544 L CA 0.895 55.774 54.840 0.065 0.000 0.879 544 L CB -1.294 40.803 42.059 0.063 0.000 1.151 544 L HN 0.315 nan 8.230 nan 0.000 0.495 545 H N 1.025 120.096 119.070 0.001 0.000 2.403 545 H HA 0.210 4.768 4.556 0.004 0.000 0.298 545 H C 0.905 176.233 175.328 0.001 0.000 1.059 545 H CA 1.140 57.186 56.048 -0.003 0.000 1.363 545 H CB 0.496 30.250 29.762 -0.014 0.000 1.410 545 H HN 0.183 nan 8.280 nan 0.000 0.528 546 A N 1.604 124.468 122.820 0.072 0.000 2.540 546 A HA 0.356 4.678 4.320 0.004 0.000 0.340 546 A C -0.461 177.132 177.584 0.015 0.000 1.424 546 A CA -0.796 51.255 52.037 0.023 0.000 0.940 546 A CB -0.256 18.797 19.000 0.088 0.000 1.149 546 A HN 0.587 nan 8.150 nan 0.000 0.505 547 R N 1.163 121.653 120.500 -0.016 0.000 2.295 547 R HA 0.705 5.048 4.340 0.004 0.000 0.324 547 R C -1.492 174.809 176.300 0.002 0.000 0.968 547 R CA -0.488 55.614 56.100 0.002 0.000 0.837 547 R CB 1.387 31.685 30.300 -0.004 0.000 1.133 547 R HN 0.145 nan 8.270 nan 0.000 0.450 548 V N 3.605 123.529 119.914 0.018 0.000 2.656 548 V HA 0.188 4.310 4.120 0.004 0.000 0.307 548 V C 0.755 176.862 176.094 0.022 0.000 1.051 548 V CA -0.982 61.329 62.300 0.019 0.000 0.893 548 V CB 1.860 33.700 31.823 0.027 0.000 0.999 548 V HN 0.820 nan 8.190 nan 0.000 0.426 549 K N 2.359 122.768 120.400 0.017 0.000 1.984 549 K HA -0.006 4.316 4.320 0.004 0.000 0.209 549 K C 0.762 177.374 176.600 0.019 0.000 1.046 549 K CA 1.438 57.735 56.287 0.016 0.000 0.934 549 K CB 0.245 32.751 32.500 0.010 0.000 0.717 549 K HN 0.450 nan 8.250 nan 0.000 0.438 550 V N 1.707 121.633 119.914 0.020 0.000 2.732 550 V HA 0.086 4.209 4.120 0.004 0.000 0.297 550 V C 0.847 176.961 176.094 0.032 0.000 1.060 550 V CA -0.038 62.275 62.300 0.022 0.000 1.038 550 V CB 1.205 33.040 31.823 0.020 0.000 1.003 550 V HN 0.294 nan 8.190 nan 0.000 0.481 551 R N 3.609 124.129 120.500 0.034 0.000 2.275 551 R HA 0.227 4.569 4.340 0.004 0.000 0.199 551 R C 1.500 177.833 176.300 0.054 0.000 0.989 551 R CA 0.774 56.902 56.100 0.047 0.000 1.016 551 R CB -0.306 30.019 30.300 0.043 0.000 0.918 551 R HN 0.781 nan 8.270 nan 0.000 0.473 552 I N -0.059 120.539 120.570 0.046 0.000 2.072 552 I HA -0.196 3.977 4.170 0.004 0.000 0.235 552 I C 0.464 176.622 176.117 0.067 0.000 1.058 552 I CA 1.170 62.501 61.300 0.051 0.000 1.320 552 I CB -0.390 37.633 38.000 0.038 0.000 1.047 552 I HN 0.001 nan 8.210 nan 0.000 0.397 553 T N 1.512 116.100 114.554 0.057 0.000 2.848 553 T HA 0.093 4.446 4.350 0.004 0.000 0.283 553 T C 0.476 175.217 174.700 0.068 0.000 0.919 553 T CA 0.385 62.522 62.100 0.061 0.000 1.071 553 T CB 0.639 69.533 68.868 0.042 0.000 0.912 553 T HN 0.324 nan 8.240 nan 0.000 0.570 554 E N 2.013 122.271 120.200 0.096 0.000 2.895 554 E HA 0.105 4.457 4.350 0.004 0.000 0.254 554 E C 0.473 177.150 176.600 0.128 0.000 1.139 554 E CA -0.198 56.263 56.400 0.101 0.000 1.832 554 E CB -0.340 29.426 29.700 0.109 0.000 2.683 554 E HN 0.430 nan 8.360 nan 0.000 1.040 555 Y N 1.614 121.940 120.300 0.043 0.000 2.911 555 Y HA 0.166 4.718 4.550 0.004 0.000 0.219 555 Y C 1.806 177.734 175.900 0.046 0.000 0.931 555 Y CA 2.518 60.646 58.100 0.047 0.000 0.952 555 Y CB -0.343 38.153 38.460 0.060 0.000 1.077 555 Y HN 0.173 nan 8.280 nan 0.000 0.481 556 E N 0.286 120.607 120.200 0.201 0.000 3.673 556 E HA -0.433 3.919 4.350 0.004 0.000 0.332 556 E C 1.060 177.572 176.600 -0.146 0.000 1.360 556 E CA 2.554 58.998 56.400 0.074 0.000 1.757 556 E CB -1.581 28.154 29.700 0.059 0.000 1.646 556 E HN 0.433 nan 8.360 nan 0.000 0.353 557 K N 1.227 121.541 120.400 -0.143 0.000 2.627 557 K HA 0.040 4.363 4.320 0.004 0.000 0.212 557 K C -0.842 175.608 176.600 -0.250 0.000 1.041 557 K CA 0.759 56.955 56.287 -0.151 0.000 1.205 557 K CB -0.337 32.120 32.500 -0.072 0.000 0.936 557 K HN 0.441 nan 8.250 nan 0.000 0.489 558 D N 0.101 120.184 120.400 -0.528 0.000 4.201 558 D HA -0.211 4.431 4.640 0.004 0.000 0.238 558 D C -1.721 174.431 176.300 -0.246 0.000 1.070 558 D CA 1.059 54.723 54.000 -0.560 0.000 1.208 558 D CB -0.792 39.797 40.800 -0.352 0.000 0.825 558 D HN 0.373 nan 8.370 nan 0.000 0.404 559 A N 2.864 125.582 122.820 -0.170 0.000 2.517 559 A HA 0.666 4.988 4.320 0.004 0.000 0.297 559 A C -0.481 177.112 177.584 0.016 0.000 1.050 559 A CA -0.464 51.543 52.037 -0.050 0.000 0.694 559 A CB 1.377 20.360 19.000 -0.028 0.000 1.277 559 A HN 0.574 nan 8.150 nan 0.000 0.400 560 N N 0.800 119.517 118.700 0.027 0.000 2.453 560 N HA 0.890 5.632 4.740 0.004 0.000 0.290 560 N C 0.137 175.678 175.510 0.052 0.000 1.250 560 N CA -0.057 53.024 53.050 0.051 0.000 0.815 560 N CB 1.785 40.300 38.487 0.047 0.000 1.381 560 N HN 1.291 nan 8.380 nan 0.000 0.510 561 G N -0.672 108.163 108.800 0.059 0.000 2.637 561 G HA2 0.157 4.120 3.960 0.004 0.000 0.112 561 G HA3 0.157 4.120 3.960 0.004 0.000 0.112 561 G C -1.732 173.205 174.900 0.062 0.000 1.181 561 G CA -0.550 44.585 45.100 0.060 0.000 1.150 561 G HN 0.729 nan 8.290 nan 0.000 0.561 562 E N 0.156 120.390 120.200 0.056 0.000 2.174 562 E HA 0.574 4.926 4.350 0.004 0.000 0.282 562 E C -1.263 175.374 176.600 0.062 0.000 0.992 562 E CA -0.485 55.950 56.400 0.058 0.000 0.803 562 E CB 0.988 30.717 29.700 0.047 0.000 1.090 562 E HN 0.208 nan 8.360 nan 0.000 0.396 563 L N 3.835 125.105 121.223 0.078 0.000 2.354 563 L HA 0.369 4.711 4.340 0.004 0.000 0.269 563 L C -0.746 176.172 176.870 0.080 0.000 1.005 563 L CA -0.932 53.957 54.840 0.081 0.000 0.819 563 L CB 2.013 44.136 42.059 0.107 0.000 1.311 563 L HN 0.354 nan 8.230 nan 0.000 0.423 564 V N 2.182 122.129 119.914 0.056 0.000 2.364 564 V HA 0.824 4.946 4.120 0.004 0.000 0.272 564 V C 0.023 176.130 176.094 0.022 0.000 1.036 564 V CA -0.349 61.975 62.300 0.040 0.000 0.880 564 V CB 0.885 32.721 31.823 0.022 0.000 0.991 564 V HN 0.837 nan 8.190 nan 0.000 0.460 565 A N 4.487 127.323 122.820 0.027 0.000 2.437 565 A HA 0.780 5.102 4.320 0.004 0.000 0.293 565 A C -0.090 177.476 177.584 -0.031 0.000 1.038 565 A CA -0.920 51.088 52.037 -0.049 0.000 0.708 565 A CB 1.041 19.977 19.000 -0.106 0.000 1.251 565 A HN 0.694 nan 8.150 nan 0.000 0.409 566 K N 0.869 121.222 120.400 -0.077 0.000 3.244 566 K HA -0.121 4.202 4.320 0.004 0.000 0.270 566 K C 0.340 176.940 176.600 0.000 0.000 1.016 566 K CA 1.393 57.655 56.287 -0.042 0.000 0.754 566 K CB -2.412 30.077 32.500 -0.019 0.000 1.326 566 K HN 1.968 nan 8.250 nan 0.000 0.465 567 T N -0.812 113.739 114.554 -0.005 0.000 3.398 567 T HA -0.257 4.096 4.350 0.004 0.000 0.408 567 T C -0.222 174.492 174.700 0.024 0.000 0.769 567 T CA 1.110 63.214 62.100 0.007 0.000 2.018 567 T CB -1.208 67.660 68.868 -0.000 0.000 1.703 567 T HN 1.078 nan 8.240 nan 0.000 0.639 568 S N 1.114 116.838 115.700 0.040 0.000 2.596 568 S HA 0.729 5.202 4.470 0.004 0.000 0.270 568 S C -0.936 173.702 174.600 0.064 0.000 1.155 568 S CA -1.262 56.971 58.200 0.054 0.000 0.827 568 S CB 2.051 65.295 63.200 0.074 0.000 1.130 568 S HN 0.547 nan 8.310 nan 0.000 0.467 569 L N 1.140 122.399 121.223 0.059 0.000 2.282 569 L HA 0.698 5.040 4.340 0.004 0.000 0.288 569 L C -0.891 176.020 176.870 0.069 0.000 1.033 569 L CA -0.307 54.569 54.840 0.059 0.000 0.807 569 L CB 0.992 43.077 42.059 0.044 0.000 1.209 569 L HN 0.848 nan 8.230 nan 0.000 0.423 570 K N 3.223 123.672 120.400 0.081 0.000 2.482 570 K HA 0.457 4.780 4.320 0.004 0.000 0.257 570 K C -1.735 174.907 176.600 0.069 0.000 0.969 570 K CA -0.920 55.414 56.287 0.077 0.000 0.842 570 K CB 1.971 34.538 32.500 0.112 0.000 1.359 570 K HN 0.367 nan 8.250 nan 0.000 0.441 571 D N 2.112 122.543 120.400 0.053 0.000 2.432 571 D HA 0.187 4.829 4.640 0.004 0.000 0.265 571 D C -0.739 175.588 176.300 0.044 0.000 1.160 571 D CA -0.126 53.907 54.000 0.057 0.000 0.911 571 D CB 1.181 42.021 40.800 0.066 0.000 1.052 571 D HN 0.606 nan 8.370 nan 0.000 0.508 572 T N -2.353 112.231 114.554 0.050 0.000 2.864 572 T HA 0.644 4.997 4.350 0.004 0.000 0.289 572 T C 0.239 174.968 174.700 0.048 0.000 1.082 572 T CA -0.684 61.437 62.100 0.035 0.000 1.009 572 T CB 2.224 71.106 68.868 0.023 0.000 1.234 572 T HN 0.009 nan 8.240 nan 0.000 0.526 573 T N -0.563 114.012 114.554 0.035 0.000 2.884 573 T HA 0.403 4.756 4.350 0.004 0.000 0.277 573 T C 1.737 176.477 174.700 0.067 0.000 0.976 573 T CA -0.067 62.060 62.100 0.046 0.000 0.956 573 T CB 0.758 69.639 68.868 0.021 0.000 1.113 573 T HN 0.990 nan 8.240 nan 0.000 0.554 574 V N 0.182 120.151 119.914 0.091 0.000 2.759 574 V HA 0.204 4.326 4.120 0.004 0.000 0.256 574 V C 2.167 178.293 176.094 0.053 0.000 1.080 574 V CA 1.918 64.281 62.300 0.106 0.000 1.101 574 V CB -1.334 30.610 31.823 0.202 0.000 0.698 574 V HN 0.875 nan 8.190 nan 0.000 0.477 575 G N -0.196 108.616 108.800 0.020 0.000 2.603 575 G HA2 -0.016 3.946 3.960 0.004 0.000 0.214 575 G HA3 -0.016 3.946 3.960 0.004 0.000 0.214 575 G C 1.608 176.499 174.900 -0.015 0.000 1.140 575 G CA -0.030 45.048 45.100 -0.036 0.000 0.800 575 G HN 0.403 nan 8.290 nan 0.000 0.533 576 R N 0.473 120.977 120.500 0.007 0.000 2.297 576 R HA 0.292 4.634 4.340 0.004 0.000 0.197 576 R C 1.207 177.571 176.300 0.106 0.000 0.943 576 R CA 0.660 56.764 56.100 0.006 0.000 1.038 576 R CB 0.234 30.514 30.300 -0.033 0.000 0.957 576 R HN 0.303 nan 8.270 nan 0.000 0.484 577 A N -0.000 122.914 122.820 0.157 0.000 2.568 577 A HA 0.182 4.504 4.320 0.004 0.000 0.287 577 A C 0.977 178.670 177.584 0.181 0.000 0.967 577 A CA -0.345 51.854 52.037 0.271 0.000 1.004 577 A CB 0.114 19.280 19.000 0.278 0.000 1.233 577 A HN 0.107 nan 8.150 nan 0.000 0.513 578 I N -1.251 119.396 120.570 0.129 0.000 3.035 578 I HA 0.217 4.389 4.170 0.004 0.000 0.271 578 I C 1.461 177.644 176.117 0.109 0.000 1.190 578 I CA 1.132 62.481 61.300 0.082 0.000 1.472 578 I CB 0.268 38.279 38.000 0.018 0.000 1.116 578 I HN 0.385 nan 8.210 nan 0.000 0.443 579 L N -2.039 119.282 121.223 0.164 0.000 2.642 579 L HA 0.121 4.464 4.340 0.004 0.000 0.233 579 L C 1.472 178.535 176.870 0.322 0.000 1.077 579 L CA -0.062 54.904 54.840 0.209 0.000 0.879 579 L CB -0.142 42.032 42.059 0.192 0.000 1.151 579 L HN 0.330 nan 8.230 nan 0.000 0.495 580 W N 1.567 122.934 121.300 0.112 0.000 3.180 580 W HA 0.039 4.701 4.660 0.004 0.000 0.254 580 W C 1.679 178.255 176.519 0.095 0.000 1.318 580 W CA 0.859 58.268 57.345 0.106 0.000 1.608 580 W CB 0.172 29.674 29.460 0.071 0.000 1.124 580 W HN 0.280 nan 8.180 nan 0.000 0.694 581 M N -0.799 118.828 119.600 0.045 0.000 2.421 581 M HA 0.220 4.702 4.480 0.004 0.000 0.258 581 M C 1.410 177.688 176.300 -0.037 0.000 1.122 581 M CA 0.780 56.028 55.300 -0.086 0.000 1.078 581 M CB -0.465 32.130 32.600 -0.009 0.000 1.380 581 M HN 0.082 nan 8.290 nan 0.000 0.499 582 I N -1.814 118.792 120.570 0.060 0.000 3.603 582 I HA 0.124 4.297 4.170 0.004 0.000 0.297 582 I C 1.364 177.566 176.117 0.141 0.000 1.269 582 I CA 0.005 61.362 61.300 0.095 0.000 1.361 582 I CB -0.132 37.944 38.000 0.127 0.000 1.063 582 I HN 0.063 nan 8.210 nan 0.000 0.448 583 V N 2.802 122.792 119.914 0.127 0.000 2.323 583 V HA -0.017 4.105 4.120 0.004 0.000 0.244 583 V C -0.015 176.090 176.094 0.019 0.000 1.041 583 V CA 1.772 64.136 62.300 0.107 0.000 1.025 583 V CB -2.102 29.761 31.823 0.067 0.000 0.656 583 V HN 0.361 nan 8.190 nan 0.000 0.451 584 P HA -0.186 nan 4.420 nan 0.000 0.221 584 P C 1.363 178.612 177.300 -0.084 0.000 1.145 584 P CA 1.274 64.293 63.100 -0.135 0.000 0.795 584 P CB 0.075 31.647 31.700 -0.213 0.000 0.775 585 K N 0.797 121.174 120.400 -0.038 0.000 2.113 585 K HA -0.109 4.214 4.320 0.004 0.000 0.208 585 K C 2.037 178.632 176.600 -0.008 0.000 1.047 585 K CA 2.209 58.487 56.287 -0.016 0.000 0.928 585 K CB -1.154 31.356 32.500 0.015 0.000 0.716 585 K HN 0.177 nan 8.250 nan 0.000 0.446 586 G N -1.117 107.690 108.800 0.011 0.000 2.789 586 G HA2 0.248 4.210 3.960 0.004 0.000 0.207 586 G HA3 0.248 4.210 3.960 0.004 0.000 0.207 586 G C -0.239 174.642 174.900 -0.032 0.000 1.153 586 G CA -0.169 44.939 45.100 0.012 0.000 0.847 586 G HN 0.164 nan 8.290 nan 0.000 0.615 587 L N 1.665 122.860 121.223 -0.047 0.000 2.441 587 L HA 0.379 4.722 4.340 0.004 0.000 0.270 587 L C -2.795 173.828 176.870 -0.413 0.000 0.973 587 L CA -1.938 52.774 54.840 -0.213 0.000 0.842 587 L CB 2.962 44.936 42.059 -0.141 0.000 1.239 587 L HN -0.048 nan 8.230 nan 0.000 0.406 588 P HA 0.241 nan 4.420 nan 0.000 0.271 588 P C -1.327 175.599 177.300 -0.622 0.000 1.216 588 P CA 0.298 63.164 63.100 -0.389 0.000 0.771 588 P CB 0.542 32.083 31.700 -0.265 0.000 0.864 589 Y N -0.515 119.757 120.300 -0.047 0.000 3.071 589 Y HA 0.599 5.151 4.550 0.004 0.000 0.301 589 Y C -0.021 175.946 175.900 0.111 0.000 1.657 589 Y CA -0.618 57.496 58.100 0.025 0.000 1.078 589 Y CB 0.884 39.361 38.460 0.029 0.000 1.465 589 Y HN 0.098 nan 8.280 nan 0.000 0.496 590 S N 1.077 117.019 115.700 0.403 0.000 2.706 590 S HA 0.564 5.037 4.470 0.004 0.000 0.270 590 S C -1.407 173.378 174.600 0.308 0.000 1.163 590 S CA -0.494 57.940 58.200 0.391 0.000 1.042 590 S CB 0.516 63.863 63.200 0.245 0.000 1.079 590 S HN 0.365 nan 8.310 nan 0.000 0.474 591 I N 2.726 123.498 120.570 0.335 0.000 2.354 591 I HA 0.343 4.515 4.170 0.004 0.000 0.292 591 I C -0.028 175.990 176.117 -0.164 0.000 0.989 591 I CA -1.052 60.264 61.300 0.027 0.000 1.188 591 I CB 1.582 39.547 38.000 -0.059 0.000 1.342 591 I HN 0.268 nan 8.210 nan 0.000 0.457 592 V N 5.964 125.819 119.914 -0.099 0.000 2.673 592 V HA -0.091 4.031 4.120 0.004 0.000 0.303 592 V C 0.464 176.451 176.094 -0.179 0.000 1.046 592 V CA -0.535 61.696 62.300 -0.115 0.000 1.126 592 V CB 0.210 31.997 31.823 -0.060 0.000 0.934 592 V HN 0.853 nan 8.190 nan 0.000 0.487 593 N N 5.310 123.894 118.700 -0.194 0.000 2.396 593 N HA 0.034 4.777 4.740 0.004 0.000 0.287 593 N C -0.488 174.944 175.510 -0.131 0.000 1.316 593 N CA 0.281 53.211 53.050 -0.200 0.000 0.972 593 N CB 0.171 38.555 38.487 -0.171 0.000 1.341 593 N HN 0.903 nan 8.380 nan 0.000 0.487 594 Q N 0.644 120.369 119.800 -0.126 0.000 2.435 594 Q HA 0.536 4.878 4.340 0.004 0.000 0.282 594 Q C -1.424 174.536 176.000 -0.066 0.000 1.020 594 Q CA -1.010 54.748 55.803 -0.075 0.000 0.820 594 Q CB 1.854 30.563 28.738 -0.049 0.000 1.436 594 Q HN 0.638 nan 8.270 nan 0.000 0.395 595 A N 2.686 125.482 122.820 -0.039 0.000 2.526 595 A HA 0.141 4.463 4.320 0.004 0.000 0.267 595 A C -0.260 177.336 177.584 0.021 0.000 1.095 595 A CA -0.043 51.973 52.037 -0.036 0.000 0.775 595 A CB -0.456 18.546 19.000 0.003 0.000 1.036 595 A HN 0.584 nan 8.150 nan 0.000 0.510 596 L N 4.310 125.533 121.223 -0.000 0.000 2.534 596 L HA 0.481 4.823 4.340 0.004 0.000 0.271 596 L C 0.709 177.668 176.870 0.148 0.000 1.178 596 L CA 1.357 56.230 54.840 0.054 0.000 0.907 596 L CB 0.005 42.090 42.059 0.045 0.000 1.164 596 L HN 0.723 nan 8.230 nan 0.000 0.482 597 G N 3.795 112.672 108.800 0.129 0.000 3.176 597 G HA2 0.240 4.203 3.960 0.004 0.000 0.272 597 G HA3 0.240 4.203 3.960 0.004 0.000 0.272 597 G C 0.055 174.994 174.900 0.065 0.000 1.349 597 G CA -0.177 45.000 45.100 0.128 0.000 0.953 597 G HN 0.634 nan 8.290 nan 0.000 0.559 598 K N -0.545 119.869 120.400 0.023 0.000 2.211 598 K HA -0.010 4.312 4.320 0.004 0.000 0.203 598 K C 1.995 178.606 176.600 0.018 0.000 1.050 598 K CA 1.196 57.491 56.287 0.013 0.000 0.945 598 K CB -0.049 32.442 32.500 -0.015 0.000 0.732 598 K HN 0.215 nan 8.250 nan 0.000 0.451 599 K N 0.035 120.443 120.400 0.014 0.000 2.186 599 K HA 0.112 4.434 4.320 0.004 0.000 0.202 599 K C 1.741 178.352 176.600 0.018 0.000 1.052 599 K CA 0.893 57.187 56.287 0.011 0.000 0.965 599 K CB -0.021 32.481 32.500 0.004 0.000 0.746 599 K HN 0.174 nan 8.250 nan 0.000 0.457 600 A N 0.959 123.796 122.820 0.028 0.000 1.930 600 A HA -0.095 4.228 4.320 0.004 0.000 0.217 600 A C 2.037 179.638 177.584 0.029 0.000 1.175 600 A CA 1.247 53.300 52.037 0.026 0.000 0.627 600 A CB -0.656 18.364 19.000 0.034 0.000 0.815 600 A HN 0.213 nan 8.150 nan 0.000 0.443 601 I N -0.571 120.030 120.570 0.052 0.000 2.676 601 I HA -0.153 4.019 4.170 0.004 0.000 0.259 601 I C 2.641 178.780 176.117 0.037 0.000 1.194 601 I CA 1.097 62.439 61.300 0.070 0.000 1.473 601 I CB -0.268 37.807 38.000 0.125 0.000 1.096 601 I HN 0.387 nan 8.210 nan 0.000 0.443 602 S N 1.479 117.193 115.700 0.023 0.000 2.370 602 S HA -0.202 4.270 4.470 0.004 0.000 0.226 602 S C 1.927 176.521 174.600 -0.011 0.000 1.033 602 S CA 1.673 59.877 58.200 0.007 0.000 1.011 602 S CB -0.010 63.192 63.200 0.004 0.000 0.852 602 S HN 0.300 nan 8.310 nan 0.000 0.457 603 K N 0.298 120.689 120.400 -0.016 0.000 2.432 603 K HA 0.245 4.568 4.320 0.004 0.000 0.196 603 K C 1.912 178.473 176.600 -0.065 0.000 1.038 603 K CA 0.478 56.747 56.287 -0.029 0.000 0.986 603 K CB -0.079 32.410 32.500 -0.019 0.000 0.782 603 K HN 0.324 nan 8.250 nan 0.000 0.485 604 M N -0.107 119.445 119.600 -0.080 0.000 2.191 604 M HA 0.051 4.533 4.480 0.004 0.000 0.262 604 M C 2.066 178.239 176.300 -0.211 0.000 1.083 604 M CA 1.208 56.406 55.300 -0.170 0.000 1.154 604 M CB -0.846 31.660 32.600 -0.155 0.000 1.344 604 M HN 0.155 nan 8.290 nan 0.000 0.431 605 L N 0.857 122.009 121.223 -0.117 0.000 2.187 605 L HA -0.256 4.086 4.340 0.004 0.000 0.213 605 L C 2.223 179.066 176.870 -0.045 0.000 1.100 605 L CA 1.377 56.174 54.840 -0.073 0.000 0.765 605 L CB -0.367 41.694 42.059 0.004 0.000 0.904 605 L HN 0.341 nan 8.230 nan 0.000 0.437 606 N N -0.776 117.896 118.700 -0.046 0.000 2.084 606 N HA -0.231 4.511 4.740 0.004 0.000 0.190 606 N C 1.812 177.337 175.510 0.025 0.000 1.030 606 N CA 2.106 55.153 53.050 -0.005 0.000 0.849 606 N CB -0.316 38.165 38.487 -0.010 0.000 1.012 606 N HN 0.267 nan 8.380 nan 0.000 0.423 607 T N -1.197 113.320 114.554 -0.062 0.000 3.085 607 T HA 0.024 4.376 4.350 0.004 0.000 0.263 607 T C 1.226 175.866 174.700 -0.099 0.000 1.127 607 T CA 0.535 62.594 62.100 -0.068 0.000 1.103 607 T CB -0.547 68.230 68.868 -0.152 0.000 0.921 607 T HN 0.345 nan 8.240 nan 0.000 0.510 608 C N 1.056 120.263 119.300 -0.156 0.000 2.524 608 C HA 0.371 4.833 4.460 0.004 0.000 0.301 608 C C 1.092 176.187 174.990 0.175 0.000 1.296 608 C CA -0.551 58.447 59.018 -0.034 0.000 1.683 608 C CB -2.202 25.450 27.740 -0.148 0.000 1.764 608 C HN 0.728 nan 8.230 nan 0.000 0.597 609 Y N -0.666 119.655 120.300 0.034 0.000 2.648 609 Y HA 0.220 4.773 4.550 0.005 0.000 0.270 609 Y C 2.097 178.042 175.900 0.075 0.000 1.043 609 Y CA -0.104 58.029 58.100 0.054 0.000 1.238 609 Y CB -0.290 38.193 38.460 0.037 0.000 1.385 609 Y HN 0.098 nan 8.280 nan 0.000 0.569 610 R N 1.093 121.674 120.500 0.135 0.000 2.057 610 R HA -0.097 4.245 4.340 0.004 0.000 0.229 610 R C 1.801 178.120 176.300 0.033 0.000 1.136 610 R CA 2.343 58.511 56.100 0.115 0.000 0.952 610 R CB -0.241 30.159 30.300 0.167 0.000 0.848 610 R HN 0.476 nan 8.270 nan 0.000 0.430 611 I N -0.559 120.034 120.570 0.037 0.000 2.494 611 I HA 0.056 4.228 4.170 0.004 0.000 0.250 611 I C 1.047 177.136 176.117 -0.047 0.000 1.112 611 I CA 0.588 61.892 61.300 0.006 0.000 1.438 611 I CB -0.894 37.123 38.000 0.029 0.000 1.111 611 I HN 0.028 nan 8.210 nan 0.000 0.431 612 L N 1.103 122.292 121.223 -0.057 0.000 2.569 612 L HA 0.495 4.837 4.340 0.004 0.000 0.247 612 L C 1.555 178.300 176.870 -0.208 0.000 1.135 612 L CA 0.522 55.309 54.840 -0.088 0.000 0.812 612 L CB 0.576 42.618 42.059 -0.028 0.000 1.431 612 L HN 0.199 nan 8.230 nan 0.000 0.499 613 G N -0.074 108.628 108.800 -0.163 0.000 3.107 613 G HA2 0.251 4.214 3.960 0.004 0.000 0.155 613 G HA3 0.251 4.214 3.960 0.004 0.000 0.155 613 G C 0.545 175.323 174.900 -0.203 0.000 1.875 613 G CA 0.115 45.093 45.100 -0.203 0.000 1.004 613 G HN 0.417 nan 8.290 nan 0.000 0.480 614 L N -0.761 120.467 121.223 0.009 0.000 2.749 614 L HA 0.381 4.723 4.340 0.004 0.000 0.242 614 L C 2.273 179.231 176.870 0.146 0.000 1.103 614 L CA 0.360 55.324 54.840 0.206 0.000 0.906 614 L CB 0.126 42.322 42.059 0.229 0.000 1.228 614 L HN 0.437 nan 8.230 nan 0.000 0.517 615 K N 0.951 121.395 120.400 0.074 0.000 2.021 615 K HA -0.019 4.303 4.320 0.004 0.000 0.205 615 K C -0.756 175.894 176.600 0.083 0.000 1.047 615 K CA 1.042 57.366 56.287 0.060 0.000 0.943 615 K CB -0.583 31.932 32.500 0.026 0.000 0.725 615 K HN 0.125 nan 8.250 nan 0.000 0.439 616 P HA -0.086 nan 4.420 nan 0.000 0.228 616 P C 0.712 178.097 177.300 0.141 0.000 1.151 616 P CA 1.153 64.307 63.100 0.091 0.000 0.770 616 P CB 0.134 31.873 31.700 0.065 0.000 0.786 617 T N -1.897 112.758 114.554 0.169 0.000 3.023 617 T HA 0.015 4.368 4.350 0.004 0.000 0.249 617 T C 1.445 176.279 174.700 0.222 0.000 1.050 617 T CA 0.693 62.917 62.100 0.207 0.000 1.088 617 T CB -0.499 68.529 68.868 0.266 0.000 0.946 617 T HN -0.094 nan 8.240 nan 0.000 0.480 618 V N 0.204 120.229 119.914 0.185 0.000 2.871 618 V HA 0.123 4.245 4.120 0.004 0.000 0.256 618 V C 2.250 178.445 176.094 0.170 0.000 1.082 618 V CA 0.636 63.036 62.300 0.166 0.000 1.105 618 V CB -0.943 30.954 31.823 0.123 0.000 0.713 618 V HN 0.353 nan 8.190 nan 0.000 0.473 619 I N 0.220 120.891 120.570 0.167 0.000 2.315 619 I HA -0.122 4.050 4.170 0.004 0.000 0.248 619 I C 2.375 178.597 176.117 0.176 0.000 1.117 619 I CA 1.713 63.102 61.300 0.149 0.000 1.404 619 I CB -1.256 36.820 38.000 0.127 0.000 1.071 619 I HN 0.460 nan 8.210 nan 0.000 0.419 620 F N 2.157 122.159 119.950 0.086 0.000 2.333 620 F HA -0.037 4.492 4.527 0.004 0.000 0.300 620 F C 2.121 177.976 175.800 0.092 0.000 1.083 620 F CA 0.994 59.046 58.000 0.087 0.000 1.395 620 F CB 0.056 39.111 39.000 0.091 0.000 1.056 620 F HN 0.008 nan 8.300 nan 0.000 0.529 621 A N -0.590 122.297 122.820 0.113 0.000 2.359 621 A HA 0.112 4.434 4.320 0.004 0.000 0.240 621 A C 1.012 178.620 177.584 0.039 0.000 1.306 621 A CA 0.616 52.684 52.037 0.051 0.000 0.898 621 A CB -0.698 18.392 19.000 0.150 0.000 0.956 621 A HN 0.394 nan 8.150 nan 0.000 0.497 622 D N -0.949 119.449 120.400 -0.003 0.000 2.716 622 D HA 0.018 4.660 4.640 0.004 0.000 0.273 622 D C 1.697 178.005 176.300 0.014 0.000 1.024 622 D CA 0.764 54.789 54.000 0.042 0.000 0.944 622 D CB -0.328 40.507 40.800 0.059 0.000 1.186 622 D HN 0.306 nan 8.370 nan 0.000 0.485 623 Q N 0.640 120.399 119.800 -0.068 0.000 2.369 623 Q HA 0.063 4.405 4.340 0.004 0.000 0.206 623 Q C 1.909 177.874 176.000 -0.058 0.000 0.963 623 Q CA 0.241 56.013 55.803 -0.051 0.000 0.894 623 Q CB 0.155 28.837 28.738 -0.092 0.000 0.965 623 Q HN 0.244 nan 8.270 nan 0.000 0.475 624 I N -0.139 120.334 120.570 -0.161 0.000 2.439 624 I HA -0.184 3.989 4.170 0.004 0.000 0.251 624 I C 1.702 177.777 176.117 -0.070 0.000 1.139 624 I CA 1.283 62.492 61.300 -0.152 0.000 1.438 624 I CB -0.138 37.737 38.000 -0.207 0.000 1.085 624 I HN 0.387 nan 8.210 nan 0.000 0.427 625 M N -0.909 118.700 119.600 0.014 0.000 2.248 625 M HA -0.229 4.254 4.480 0.004 0.000 0.265 625 M C 2.368 178.739 176.300 0.119 0.000 1.079 625 M CA 1.437 56.776 55.300 0.067 0.000 1.150 625 M CB -0.392 32.334 32.600 0.209 0.000 1.366 625 M HN 0.186 nan 8.290 nan 0.000 0.433 626 Y N 1.313 121.635 120.300 0.036 0.000 2.114 626 Y HA -0.212 4.341 4.550 0.004 0.000 0.284 626 Y C 2.090 177.999 175.900 0.015 0.000 1.143 626 Y CA 2.341 60.466 58.100 0.042 0.000 1.135 626 Y CB -0.459 38.008 38.460 0.012 0.000 0.980 626 Y HN 0.391 nan 8.280 nan 0.000 0.499 627 T N -2.292 112.348 114.554 0.143 0.000 3.366 627 T HA 0.269 4.621 4.350 0.004 0.000 0.249 627 T C 1.287 175.977 174.700 -0.017 0.000 1.028 627 T CA 0.281 62.438 62.100 0.096 0.000 0.938 627 T CB -0.332 68.657 68.868 0.202 0.000 1.046 627 T HN 0.398 nan 8.240 nan 0.000 0.587 628 G N 0.058 108.737 108.800 -0.203 0.000 2.781 628 G HA2 0.296 4.258 3.960 0.004 0.000 0.208 628 G HA3 0.296 4.258 3.960 0.004 0.000 0.208 628 G C 0.528 175.028 174.900 -0.667 0.000 1.099 628 G CA -0.385 44.435 45.100 -0.466 0.000 0.776 628 G HN 0.544 nan 8.290 nan 0.000 0.532 629 F N 0.595 120.449 119.950 -0.161 0.000 2.706 629 F HA 0.518 5.047 4.527 0.004 0.000 0.313 629 F C 2.133 177.787 175.800 -0.243 0.000 1.096 629 F CA -0.062 57.819 58.000 -0.200 0.000 1.219 629 F CB 0.610 39.474 39.000 -0.227 0.000 1.051 629 F HN 0.175 nan 8.300 nan 0.000 0.568 630 A N -0.372 122.350 122.820 -0.163 0.000 1.843 630 A HA -0.075 4.247 4.320 0.004 0.000 0.213 630 A C 1.489 178.886 177.584 -0.311 0.000 1.239 630 A CA 1.187 53.033 52.037 -0.318 0.000 0.606 630 A CB -1.107 17.595 19.000 -0.497 0.000 0.903 630 A HN 0.348 nan 8.150 nan 0.000 0.455 631 Y N 0.067 120.288 120.300 -0.131 0.000 2.616 631 Y HA 0.215 4.767 4.550 0.004 0.000 0.296 631 Y C 2.342 178.091 175.900 -0.252 0.000 1.154 631 Y CA 0.397 58.401 58.100 -0.160 0.000 1.325 631 Y CB -0.208 38.196 38.460 -0.094 0.000 1.007 631 Y HN 0.321 nan 8.280 nan 0.000 0.542 632 A N -0.541 122.225 122.820 -0.090 0.000 2.238 632 A HA 0.409 4.732 4.320 0.004 0.000 0.208 632 A C 1.967 179.494 177.584 -0.096 0.000 1.177 632 A CA 0.897 52.846 52.037 -0.148 0.000 0.804 632 A CB -0.485 18.413 19.000 -0.169 0.000 0.823 632 A HN 0.313 nan 8.150 nan 0.000 0.482 633 A N -0.674 122.094 122.820 -0.086 0.000 2.324 633 A HA 0.262 4.584 4.320 0.004 0.000 0.220 633 A C 1.561 179.115 177.584 -0.050 0.000 1.209 633 A CA -0.101 51.902 52.037 -0.056 0.000 0.918 633 A CB 0.165 19.122 19.000 -0.072 0.000 0.959 633 A HN 0.358 nan 8.150 nan 0.000 0.507 634 R N -0.067 120.388 120.500 -0.075 0.000 2.552 634 R HA 0.250 4.592 4.340 0.004 0.000 0.314 634 R C 0.924 177.188 176.300 -0.061 0.000 1.041 634 R CA 0.329 56.400 56.100 -0.048 0.000 1.076 634 R CB 0.270 30.552 30.300 -0.030 0.000 1.290 634 R HN 0.327 nan 8.270 nan 0.000 0.563 635 S N 0.357 116.009 115.700 -0.080 0.000 2.371 635 S HA -0.031 4.441 4.470 0.004 0.000 0.224 635 S C 1.585 176.211 174.600 0.043 0.000 1.029 635 S CA 1.227 59.387 58.200 -0.066 0.000 0.978 635 S CB 0.014 63.233 63.200 0.031 0.000 0.833 635 S HN 0.674 nan 8.310 nan 0.000 0.466 636 G N 1.481 110.312 108.800 0.052 0.000 2.153 636 G HA2 -0.187 3.776 3.960 0.004 0.000 0.252 636 G HA3 -0.187 3.776 3.960 0.004 0.000 0.252 636 G C 0.119 175.047 174.900 0.047 0.000 0.994 636 G CA 0.084 45.213 45.100 0.048 0.000 0.698 636 G HN 0.901 nan 8.290 nan 0.000 0.521 637 A N -0.161 122.697 122.820 0.063 0.000 2.477 637 A HA 0.758 5.080 4.320 0.004 0.000 0.246 637 A C 0.965 178.510 177.584 -0.065 0.000 1.078 637 A CA 1.312 53.344 52.037 -0.009 0.000 0.770 637 A CB 0.410 19.360 19.000 -0.082 0.000 1.011 637 A HN 2.050 nan 8.150 nan 0.000 0.494 638 S N 0.667 116.323 115.700 -0.073 0.000 3.359 638 S HA 0.812 5.284 4.470 0.004 0.000 0.323 638 S C -0.541 174.013 174.600 -0.077 0.000 1.143 638 S CA 0.005 58.164 58.200 -0.067 0.000 0.989 638 S CB 1.028 64.210 63.200 -0.030 0.000 1.375 638 S HN 2.048 nan 8.310 nan 0.000 0.728 639 V N -0.561 119.323 119.914 -0.051 0.000 3.077 639 V HA 0.780 4.902 4.120 0.004 0.000 0.299 639 V C -0.433 175.647 176.094 -0.025 0.000 1.276 639 V CA 0.558 62.832 62.300 -0.044 0.000 0.993 639 V CB 1.461 33.251 31.823 -0.054 0.000 1.076 639 V HN 1.663 nan 8.190 nan 0.000 0.434 640 G N 3.062 111.852 108.800 -0.017 0.000 2.727 640 G HA2 0.533 4.495 3.960 0.004 0.000 0.289 640 G HA3 0.533 4.495 3.960 0.004 0.000 0.289 640 G C -0.151 174.748 174.900 -0.003 0.000 1.418 640 G CA -0.027 45.068 45.100 -0.008 0.000 0.818 640 G HN 0.940 nan 8.290 nan 0.000 0.486 641 I N -0.143 120.427 120.570 0.002 0.000 2.676 641 I HA 0.045 4.217 4.170 0.004 0.000 0.259 641 I C 1.636 177.760 176.117 0.011 0.000 1.194 641 I CA 1.542 62.846 61.300 0.007 0.000 1.473 641 I CB 0.067 38.072 38.000 0.007 0.000 1.096 641 I HN 0.483 nan 8.210 nan 0.000 0.443 642 D N -2.035 118.371 120.400 0.010 0.000 2.363 642 D HA -0.001 4.641 4.640 0.004 0.000 0.214 642 D C 0.994 177.302 176.300 0.013 0.000 1.093 642 D CA 0.162 54.169 54.000 0.013 0.000 0.837 642 D CB -0.464 40.343 40.800 0.011 0.000 0.948 642 D HN 0.205 nan 8.370 nan 0.000 0.507 643 D N 0.477 120.882 120.400 0.009 0.000 2.349 643 D HA 0.030 4.672 4.640 0.004 0.000 0.215 643 D C 1.338 177.645 176.300 0.012 0.000 1.016 643 D CA 0.387 54.391 54.000 0.007 0.000 0.870 643 D CB -0.112 40.686 40.800 -0.003 0.000 0.917 643 D HN 0.482 nan 8.370 nan 0.000 0.524 644 M N -0.113 119.498 119.600 0.018 0.000 3.029 644 M HA 0.242 4.724 4.480 0.004 0.000 0.267 644 M C 0.117 176.439 176.300 0.036 0.000 1.270 644 M CA -0.550 54.765 55.300 0.026 0.000 1.101 644 M CB 0.031 32.650 32.600 0.030 0.000 1.266 644 M HN -0.293 nan 8.290 nan 0.000 0.503 645 V N 0.747 120.681 119.914 0.032 0.000 3.032 645 V HA 0.262 4.385 4.120 0.004 0.000 0.307 645 V C 0.240 176.362 176.094 0.046 0.000 1.097 645 V CA -0.629 61.694 62.300 0.037 0.000 1.191 645 V CB -0.011 31.831 31.823 0.030 0.000 0.964 645 V HN 0.636 nan 8.190 nan 0.000 0.494 646 I N 0.248 120.852 120.570 0.057 0.000 2.441 646 I HA 0.715 4.887 4.170 0.004 0.000 0.295 646 I C -2.501 173.659 176.117 0.071 0.000 0.994 646 I CA -2.655 58.683 61.300 0.064 0.000 1.144 646 I CB 1.432 39.477 38.000 0.077 0.000 1.314 646 I HN 0.410 nan 8.210 nan 0.000 0.445 647 P HA 0.082 nan 4.420 nan 0.000 0.266 647 P C 0.153 177.509 177.300 0.094 0.000 1.195 647 P CA -0.054 63.080 63.100 0.056 0.000 0.768 647 P CB 0.572 32.295 31.700 0.038 0.000 0.838 648 E N 1.694 121.952 120.200 0.096 0.000 2.427 648 E HA -0.087 4.265 4.350 0.004 0.000 0.196 648 E C 0.958 177.642 176.600 0.138 0.000 1.028 648 E CA 0.729 57.217 56.400 0.146 0.000 0.864 648 E CB 0.028 29.773 29.700 0.076 0.000 0.813 648 E HN 0.371 nan 8.360 nan 0.000 0.514 649 K N 0.798 121.244 120.400 0.076 0.000 2.432 649 K HA 0.003 4.326 4.320 0.004 0.000 0.196 649 K C 1.781 178.398 176.600 0.029 0.000 1.038 649 K CA 0.461 56.777 56.287 0.047 0.000 0.986 649 K CB 0.122 32.638 32.500 0.026 0.000 0.782 649 K HN 0.026 nan 8.250 nan 0.000 0.485 650 K N -0.437 119.968 120.400 0.007 0.000 2.057 650 K HA -0.108 4.214 4.320 0.004 0.000 0.206 650 K C 1.284 177.797 176.600 -0.144 0.000 1.050 650 K CA 1.408 57.636 56.287 -0.097 0.000 0.935 650 K CB -0.214 32.170 32.500 -0.193 0.000 0.715 650 K HN 0.325 nan 8.250 nan 0.000 0.439 651 H N 0.487 119.568 119.070 0.017 0.000 2.556 651 H HA 0.037 4.596 4.556 0.004 0.000 0.268 651 H C 0.960 176.289 175.328 0.002 0.000 0.996 651 H CA 0.549 56.605 56.048 0.014 0.000 1.157 651 H CB 0.207 29.977 29.762 0.014 0.000 1.355 651 H HN 0.324 nan 8.280 nan 0.000 0.597 652 E N -0.328 119.918 120.200 0.076 0.000 2.389 652 E HA 0.080 4.432 4.350 0.004 0.000 0.199 652 E C 1.461 178.057 176.600 -0.006 0.000 0.978 652 E CA 0.090 56.511 56.400 0.036 0.000 0.912 652 E CB 0.560 30.279 29.700 0.031 0.000 0.907 652 E HN 0.439 nan 8.360 nan 0.000 0.494 653 I N 0.953 121.507 120.570 -0.027 0.000 3.427 653 I HA -0.059 4.114 4.170 0.004 0.000 0.288 653 I C 1.325 177.374 176.117 -0.113 0.000 1.249 653 I CA 0.259 61.519 61.300 -0.067 0.000 1.421 653 I CB 0.437 38.399 38.000 -0.063 0.000 1.086 653 I HN 0.032 nan 8.210 nan 0.000 0.448 654 I N 0.161 120.684 120.570 -0.078 0.000 2.716 654 I HA -0.089 4.083 4.170 0.004 0.000 0.259 654 I C 2.480 178.557 176.117 -0.066 0.000 1.172 654 I CA 0.847 62.095 61.300 -0.086 0.000 1.478 654 I CB -1.217 36.783 38.000 -0.001 0.000 1.104 654 I HN 0.118 nan 8.210 nan 0.000 0.439 655 S N 1.434 117.115 115.700 -0.031 0.000 2.359 655 S HA -0.221 4.251 4.470 0.004 0.000 0.224 655 S C 1.781 176.352 174.600 -0.048 0.000 1.035 655 S CA 1.796 59.985 58.200 -0.018 0.000 1.018 655 S CB -0.344 62.856 63.200 0.000 0.000 0.876 655 S HN 0.667 nan 8.310 nan 0.000 0.448 656 E N 1.489 121.643 120.200 -0.076 0.000 2.274 656 E HA 0.059 4.411 4.350 0.004 0.000 0.194 656 E C 1.926 178.441 176.600 -0.142 0.000 0.996 656 E CA 0.855 57.200 56.400 -0.092 0.000 0.840 656 E CB -0.235 29.410 29.700 -0.092 0.000 0.772 656 E HN 0.485 nan 8.360 nan 0.000 0.491 657 A N 1.847 124.541 122.820 -0.212 0.000 1.930 657 A HA -0.132 4.190 4.320 0.004 0.000 0.215 657 A C 2.203 179.681 177.584 -0.175 0.000 1.176 657 A CA 1.065 52.896 52.037 -0.344 0.000 0.632 657 A CB -0.295 18.290 19.000 -0.693 0.000 0.819 657 A HN 0.215 nan 8.150 nan 0.000 0.445 658 E N 0.731 120.885 120.200 -0.076 0.000 2.204 658 E HA -0.126 4.226 4.350 0.004 0.000 0.194 658 E C 2.057 178.658 176.600 0.001 0.000 0.989 658 E CA 1.103 57.509 56.400 0.009 0.000 0.824 658 E CB -0.250 29.468 29.700 0.031 0.000 0.756 658 E HN 0.461 nan 8.360 nan 0.000 0.477 659 A N 0.951 123.756 122.820 -0.025 0.000 1.933 659 A HA -0.203 4.119 4.320 0.004 0.000 0.218 659 A C 2.078 179.655 177.584 -0.012 0.000 1.175 659 A CA 1.858 53.885 52.037 -0.017 0.000 0.628 659 A CB -0.418 18.565 19.000 -0.027 0.000 0.814 659 A HN 0.243 nan 8.150 nan 0.000 0.444 660 E N -0.329 119.853 120.200 -0.029 0.000 2.112 660 E HA -0.047 4.305 4.350 0.004 0.000 0.190 660 E C 1.723 178.335 176.600 0.019 0.000 0.979 660 E CA 1.194 57.584 56.400 -0.016 0.000 0.814 660 E CB -0.240 29.431 29.700 -0.049 0.000 0.762 660 E HN 0.234 nan 8.360 nan 0.000 0.460 661 V N 0.802 120.739 119.914 0.038 0.000 2.515 661 V HA -0.116 4.006 4.120 0.004 0.000 0.250 661 V C 2.090 178.218 176.094 0.056 0.000 1.058 661 V CA 1.566 63.913 62.300 0.078 0.000 1.064 661 V CB -0.667 31.238 31.823 0.137 0.000 0.675 661 V HN 0.403 nan 8.190 nan 0.000 0.461 662 A N -0.684 122.162 122.820 0.042 0.000 2.252 662 A HA 0.040 4.362 4.320 0.004 0.000 0.207 662 A C 1.478 179.084 177.584 0.036 0.000 1.194 662 A CA 0.650 52.709 52.037 0.037 0.000 0.809 662 A CB -0.298 18.720 19.000 0.030 0.000 0.814 662 A HN 0.648 nan 8.150 nan 0.000 0.482 663 E N -1.755 118.468 120.200 0.038 0.000 2.789 663 E HA 0.156 4.508 4.350 0.004 0.000 0.217 663 E C 0.559 177.191 176.600 0.054 0.000 0.970 663 E CA -0.133 56.292 56.400 0.041 0.000 1.201 663 E CB 0.410 30.128 29.700 0.029 0.000 1.069 663 E HN 0.455 nan 8.360 nan 0.000 0.499 664 I N 0.520 121.124 120.570 0.057 0.000 3.526 664 I HA -0.010 4.163 4.170 0.004 0.000 0.294 664 I C 1.670 177.839 176.117 0.088 0.000 1.229 664 I CA 1.189 62.529 61.300 0.067 0.000 1.408 664 I CB 0.630 38.661 38.000 0.051 0.000 1.127 664 I HN -0.113 nan 8.210 nan 0.000 0.439 665 Q N -0.011 119.834 119.800 0.075 0.000 2.302 665 Q HA -0.023 4.320 4.340 0.004 0.000 0.202 665 Q C 1.976 178.077 176.000 0.168 0.000 0.936 665 Q CA 0.939 56.808 55.803 0.110 0.000 0.886 665 Q CB -0.124 28.645 28.738 0.051 0.000 0.986 665 Q HN 0.530 nan 8.270 nan 0.000 0.487 666 E N 0.986 121.253 120.200 0.111 0.000 2.077 666 E HA -0.259 4.093 4.350 0.004 0.000 0.193 666 E C 1.615 178.273 176.600 0.097 0.000 0.989 666 E CA 1.396 57.851 56.400 0.091 0.000 0.800 666 E CB 0.128 29.865 29.700 0.061 0.000 0.746 666 E HN 0.541 nan 8.360 nan 0.000 0.452 667 Q N -0.913 118.952 119.800 0.109 0.000 2.451 667 Q HA -0.072 4.271 4.340 0.004 0.000 0.206 667 Q C 1.699 177.775 176.000 0.127 0.000 0.947 667 Q CA 0.431 56.291 55.803 0.094 0.000 0.937 667 Q CB -0.159 28.628 28.738 0.083 0.000 1.025 667 Q HN 0.308 nan 8.270 nan 0.000 0.511 668 F N 1.540 121.504 119.950 0.024 0.000 2.317 668 F HA 0.073 4.602 4.527 0.004 0.000 0.293 668 F C 2.082 177.894 175.800 0.020 0.000 1.085 668 F CA 0.754 58.770 58.000 0.025 0.000 1.390 668 F CB 0.329 39.348 39.000 0.030 0.000 1.077 668 F HN -0.058 nan 8.300 nan 0.000 0.517 669 Q N 0.018 119.877 119.800 0.097 0.000 2.297 669 Q HA -0.075 4.268 4.340 0.004 0.000 0.204 669 Q C 2.282 178.243 176.000 -0.065 0.000 0.962 669 Q CA 1.223 57.030 55.803 0.006 0.000 0.879 669 Q CB -0.411 28.376 28.738 0.081 0.000 0.947 669 Q HN 0.372 nan 8.270 nan 0.000 0.462 670 S N -0.645 115.027 115.700 -0.047 0.000 2.357 670 S HA 0.051 4.523 4.470 0.004 0.000 0.221 670 S C 1.418 175.966 174.600 -0.087 0.000 1.031 670 S CA 1.236 59.408 58.200 -0.047 0.000 0.982 670 S CB 0.026 63.216 63.200 -0.017 0.000 0.853 670 S HN 0.611 nan 8.310 nan 0.000 0.458 671 G N 0.014 108.735 108.800 -0.132 0.000 2.148 671 G HA2 -0.119 3.843 3.960 0.004 0.000 0.157 671 G HA3 -0.119 3.843 3.960 0.004 0.000 0.157 671 G C 0.402 175.248 174.900 -0.091 0.000 1.012 671 G CA -0.090 44.919 45.100 -0.151 0.000 0.677 671 G HN 0.314 nan 8.290 nan 0.000 0.506 672 L N 0.123 121.313 121.223 -0.056 0.000 2.554 672 L HA 0.382 4.725 4.340 0.004 0.000 0.225 672 L C 0.801 177.673 176.870 0.003 0.000 1.104 672 L CA 0.729 55.557 54.840 -0.019 0.000 0.866 672 L CB 0.402 42.459 42.059 -0.003 0.000 1.047 672 L HN 0.147 nan 8.230 nan 0.000 0.468 673 V N 0.107 120.026 119.914 0.009 0.000 2.443 673 V HA 0.300 4.423 4.120 0.004 0.000 0.293 673 V C 0.221 176.374 176.094 0.097 0.000 1.021 673 V CA -0.631 61.713 62.300 0.073 0.000 0.848 673 V CB 1.763 33.665 31.823 0.131 0.000 0.998 673 V HN 0.136 nan 8.190 nan 0.000 0.424 674 T N 3.515 118.127 114.554 0.098 0.000 2.898 674 T HA 0.274 4.627 4.350 0.004 0.000 0.301 674 T C 1.519 176.376 174.700 0.262 0.000 1.049 674 T CA 0.378 62.552 62.100 0.123 0.000 1.095 674 T CB 1.501 70.416 68.868 0.079 0.000 0.976 674 T HN 0.885 nan 8.240 nan 0.000 0.539 675 A N 2.227 125.262 122.820 0.359 0.000 2.024 675 A HA 0.019 4.342 4.320 0.004 0.000 0.220 675 A C 2.408 180.110 177.584 0.198 0.000 1.164 675 A CA 1.772 54.029 52.037 0.366 0.000 0.643 675 A CB -1.155 18.044 19.000 0.332 0.000 0.806 675 A HN 0.937 nan 8.150 nan 0.000 0.451 676 G N -0.771 108.112 108.800 0.139 0.000 2.421 676 G HA2 -0.098 3.865 3.960 0.004 0.000 0.217 676 G HA3 -0.098 3.865 3.960 0.004 0.000 0.217 676 G C 1.326 176.319 174.900 0.154 0.000 1.143 676 G CA 0.732 45.895 45.100 0.106 0.000 0.784 676 G HN 0.491 nan 8.290 nan 0.000 0.541 677 E N 0.888 121.173 120.200 0.142 0.000 2.150 677 E HA -0.111 4.242 4.350 0.004 0.000 0.193 677 E C 2.503 179.182 176.600 0.132 0.000 0.985 677 E CA 0.847 57.323 56.400 0.126 0.000 0.814 677 E CB -0.148 29.619 29.700 0.111 0.000 0.752 677 E HN 0.702 nan 8.360 nan 0.000 0.466 678 R N -0.838 119.752 120.500 0.150 0.000 2.317 678 R HA 0.082 4.425 4.340 0.004 0.000 0.208 678 R C 1.605 177.971 176.300 0.108 0.000 0.914 678 R CA 0.096 56.263 56.100 0.110 0.000 1.060 678 R CB -0.328 30.022 30.300 0.083 0.000 1.015 678 R HN 0.059 nan 8.270 nan 0.000 0.498 679 Y N 2.308 122.622 120.300 0.023 0.000 2.490 679 Y HA 0.050 4.603 4.550 0.004 0.000 0.285 679 Y C 1.056 176.967 175.900 0.018 0.000 1.117 679 Y CA 0.935 59.040 58.100 0.008 0.000 1.262 679 Y CB 0.404 38.870 38.460 0.009 0.000 1.043 679 Y HN 0.257 nan 8.280 nan 0.000 0.553 680 N N -1.123 117.648 118.700 0.118 0.000 2.200 680 N HA 0.061 4.803 4.740 0.004 0.000 0.224 680 N C 0.897 176.432 175.510 0.042 0.000 1.179 680 N CA 0.148 53.237 53.050 0.064 0.000 0.877 680 N CB 0.238 38.794 38.487 0.113 0.000 1.072 680 N HN 0.085 nan 8.380 nan 0.000 0.519 681 K N 0.155 120.580 120.400 0.041 0.000 2.335 681 K HA 0.245 4.567 4.320 0.004 0.000 0.195 681 K C 1.320 177.949 176.600 0.049 0.000 1.058 681 K CA 0.253 56.567 56.287 0.044 0.000 0.988 681 K CB -0.336 32.196 32.500 0.053 0.000 0.880 681 K HN -0.029 nan 8.250 nan 0.000 0.513 682 V N 1.088 121.030 119.914 0.046 0.000 2.759 682 V HA -0.030 4.093 4.120 0.004 0.000 0.256 682 V C 1.789 177.988 176.094 0.175 0.000 1.080 682 V CA 1.424 63.799 62.300 0.125 0.000 1.101 682 V CB -0.238 31.618 31.823 0.054 0.000 0.698 682 V HN 0.463 nan 8.190 nan 0.000 0.477 683 I N -0.285 120.320 120.570 0.058 0.000 2.584 683 I HA -0.030 4.142 4.170 0.004 0.000 0.255 683 I C 0.710 176.869 176.117 0.069 0.000 1.145 683 I CA 1.157 62.491 61.300 0.056 0.000 1.462 683 I CB -0.053 37.941 38.000 -0.010 0.000 1.102 683 I HN 0.281 nan 8.210 nan 0.000 0.433 684 D N 1.572 122.000 120.400 0.047 0.000 3.038 684 D HA 0.153 4.795 4.640 0.004 0.000 0.243 684 D C 0.946 177.246 176.300 -0.000 0.000 1.245 684 D CA 0.327 54.343 54.000 0.026 0.000 0.871 684 D CB 0.635 41.448 40.800 0.022 0.000 1.089 684 D HN 0.328 nan 8.370 nan 0.000 0.464 685 I N -2.407 118.160 120.570 -0.005 0.000 5.473 685 I HA -0.015 4.157 4.170 0.004 0.000 0.357 685 I C 0.098 176.087 176.117 -0.212 0.000 1.098 685 I CA 0.177 61.399 61.300 -0.130 0.000 1.647 685 I CB -0.164 37.720 38.000 -0.194 0.000 2.069 685 I HN 0.019 nan 8.210 nan 0.000 0.703 686 W N 1.693 122.974 121.300 -0.033 0.000 2.630 686 W HA 0.314 4.977 4.660 0.004 0.000 0.271 686 W C 2.368 178.869 176.519 -0.031 0.000 1.244 686 W CA 1.234 58.558 57.345 -0.035 0.000 1.353 686 W CB 0.057 29.488 29.460 -0.047 0.000 1.080 686 W HN 0.171 nan 8.180 nan 0.000 0.594 687 A N 0.097 123.021 122.820 0.174 0.000 2.168 687 A HA 0.201 4.523 4.320 0.004 0.000 0.215 687 A C 1.844 179.463 177.584 0.057 0.000 1.152 687 A CA 1.633 53.728 52.037 0.097 0.000 0.716 687 A CB -0.650 18.387 19.000 0.062 0.000 0.794 687 A HN 0.137 nan 8.150 nan 0.000 0.465 688 A N -1.652 121.187 122.820 0.033 0.000 2.431 688 A HA 0.638 4.960 4.320 0.004 0.000 0.239 688 A C 1.796 179.371 177.584 -0.015 0.000 1.230 688 A CA 0.864 52.903 52.037 0.003 0.000 0.928 688 A CB -0.138 18.853 19.000 -0.016 0.000 1.006 688 A HN 0.762 nan 8.150 nan 0.000 0.520 689 A N 1.004 123.816 122.820 -0.013 0.000 2.147 689 A HA 0.024 4.346 4.320 0.004 0.000 0.211 689 A C 1.416 179.020 177.584 0.032 0.000 1.160 689 A CA 0.863 52.875 52.037 -0.041 0.000 0.781 689 A CB -0.629 18.274 19.000 -0.162 0.000 0.842 689 A HN 0.762 nan 8.150 nan 0.000 0.475 690 N N -1.542 117.202 118.700 0.073 0.000 2.280 690 N HA -0.013 4.730 4.740 0.004 0.000 0.192 690 N C -0.139 175.401 175.510 0.049 0.000 1.109 690 N CA 0.392 53.488 53.050 0.076 0.000 0.855 690 N CB 0.182 38.726 38.487 0.095 0.000 0.974 690 N HN 0.122 nan 8.380 nan 0.000 0.482 691 D N 1.249 121.670 120.400 0.035 0.000 2.394 691 D HA 0.068 4.711 4.640 0.004 0.000 0.226 691 D C 1.791 178.105 176.300 0.023 0.000 0.990 691 D CA 0.368 54.386 54.000 0.029 0.000 0.902 691 D CB 0.120 40.934 40.800 0.024 0.000 1.038 691 D HN 0.222 nan 8.370 nan 0.000 0.499 692 R N 0.584 121.092 120.500 0.013 0.000 2.153 692 R HA 0.028 4.371 4.340 0.004 0.000 0.218 692 R C 2.172 178.480 176.300 0.013 0.000 1.072 692 R CA 0.281 56.386 56.100 0.008 0.000 0.990 692 R CB -0.125 30.171 30.300 -0.007 0.000 0.889 692 R HN 0.029 nan 8.270 nan 0.000 0.452 693 V N 0.164 120.088 119.914 0.016 0.000 2.515 693 V HA -0.201 3.922 4.120 0.004 0.000 0.250 693 V C 2.131 178.243 176.094 0.031 0.000 1.058 693 V CA 2.210 64.522 62.300 0.019 0.000 1.064 693 V CB 0.157 31.992 31.823 0.021 0.000 0.675 693 V HN 0.288 nan 8.190 nan 0.000 0.461 694 S N -0.928 114.795 115.700 0.038 0.000 2.406 694 S HA -0.097 4.375 4.470 0.004 0.000 0.228 694 S C 1.986 176.619 174.600 0.054 0.000 1.020 694 S CA 0.943 59.172 58.200 0.048 0.000 0.965 694 S CB -0.223 63.005 63.200 0.048 0.000 0.798 694 S HN 0.588 nan 8.310 nan 0.000 0.488 695 K N 1.378 121.804 120.400 0.044 0.000 2.167 695 K HA 0.238 4.561 4.320 0.004 0.000 0.203 695 K C 2.150 178.776 176.600 0.043 0.000 1.052 695 K CA 1.040 57.356 56.287 0.047 0.000 0.956 695 K CB -0.813 31.708 32.500 0.035 0.000 0.735 695 K HN 0.409 nan 8.250 nan 0.000 0.451 696 A N 1.214 124.053 122.820 0.032 0.000 2.066 696 A HA -0.032 4.290 4.320 0.004 0.000 0.218 696 A C 2.121 179.718 177.584 0.023 0.000 1.157 696 A CA 0.905 52.956 52.037 0.023 0.000 0.670 696 A CB -0.303 18.707 19.000 0.016 0.000 0.804 696 A HN 0.251 nan 8.150 nan 0.000 0.453 697 M N -0.052 119.568 119.600 0.033 0.000 2.115 697 M HA -0.082 4.400 4.480 0.004 0.000 0.261 697 M C 2.296 178.607 176.300 0.019 0.000 1.079 697 M CA 2.172 57.490 55.300 0.030 0.000 1.143 697 M CB -0.289 32.340 32.600 0.048 0.000 1.332 697 M HN 0.582 nan 8.290 nan 0.000 0.421 698 M N -1.238 118.408 119.600 0.077 0.000 2.346 698 M HA -0.153 4.330 4.480 0.004 0.000 0.263 698 M C 1.083 177.387 176.300 0.007 0.000 1.064 698 M CA 1.960 57.339 55.300 0.131 0.000 1.083 698 M CB -1.071 31.727 32.600 0.330 0.000 1.399 698 M HN 0.165 nan 8.290 nan 0.000 0.435 699 D N 1.283 121.691 120.400 0.013 0.000 2.219 699 D HA -0.114 4.528 4.640 0.004 0.000 0.205 699 D C 1.338 177.603 176.300 -0.059 0.000 0.970 699 D CA 1.176 55.173 54.000 -0.005 0.000 0.851 699 D CB -0.055 40.751 40.800 0.010 0.000 0.943 699 D HN 0.443 nan 8.370 nan 0.000 0.488 700 N N -0.389 118.261 118.700 -0.083 0.000 2.409 700 N HA 0.004 4.746 4.740 0.004 0.000 0.174 700 N C 0.936 176.340 175.510 -0.176 0.000 1.037 700 N CA 0.117 53.111 53.050 -0.095 0.000 0.898 700 N CB 0.056 38.509 38.487 -0.056 0.000 1.010 700 N HN 0.187 nan 8.380 nan 0.000 0.445 701 L N 1.620 122.646 121.223 -0.327 0.000 2.660 701 L HA 0.077 4.419 4.340 0.004 0.000 0.238 701 L C 0.652 177.074 176.870 -0.746 0.000 1.161 701 L CA 0.868 55.373 54.840 -0.557 0.000 0.937 701 L CB -0.981 40.614 42.059 -0.773 0.000 1.122 701 L HN 0.421 nan 8.230 nan 0.000 0.435 702 Q N -2.329 117.235 119.800 -0.392 0.000 2.038 702 Q HA 0.148 4.491 4.340 0.004 0.000 0.240 702 Q C 0.440 176.399 176.000 -0.068 0.000 0.831 702 Q CA 0.094 55.789 55.803 -0.179 0.000 1.068 702 Q CB 0.293 29.006 28.738 -0.041 0.000 1.241 702 Q HN 0.244 nan 8.270 nan 0.000 0.435 703 T N -2.097 112.410 114.554 -0.077 0.000 3.257 703 T HA 0.056 4.409 4.350 0.004 0.000 0.176 703 T C 1.502 176.185 174.700 -0.029 0.000 0.892 703 T CA 0.541 62.617 62.100 -0.039 0.000 1.147 703 T CB -0.433 68.413 68.868 -0.036 0.000 1.840 703 T HN 0.201 nan 8.240 nan 0.000 0.375 704 E N 1.834 122.016 120.200 -0.030 0.000 2.208 704 E HA 0.060 4.412 4.350 0.004 0.000 0.193 704 E C 0.741 177.329 176.600 -0.019 0.000 0.988 704 E CA 1.063 57.451 56.400 -0.020 0.000 0.828 704 E CB -0.253 29.437 29.700 -0.017 0.000 0.763 704 E HN 0.547 nan 8.360 nan 0.000 0.478 705 T N -1.048 113.487 114.554 -0.032 0.000 2.932 705 T HA 0.444 4.797 4.350 0.004 0.000 0.318 705 T C -0.245 174.430 174.700 -0.041 0.000 1.265 705 T CA -0.420 61.667 62.100 -0.022 0.000 1.036 705 T CB 1.902 70.763 68.868 -0.011 0.000 1.209 705 T HN -0.149 nan 8.240 nan 0.000 0.484 706 V N 3.963 123.878 119.914 0.003 0.000 3.408 706 V HA 0.280 4.402 4.120 0.004 0.000 0.263 706 V C 1.673 177.840 176.094 0.123 0.000 1.503 706 V CA 0.023 62.344 62.300 0.036 0.000 1.046 706 V CB 0.262 32.150 31.823 0.107 0.000 0.851 706 V HN 0.880 nan 8.190 nan 0.000 0.435 707 I N 1.442 122.075 120.570 0.106 0.000 3.620 707 I HA 0.015 4.188 4.170 0.004 0.000 0.305 707 I C 1.006 177.193 176.117 0.117 0.000 1.243 707 I CA 0.483 61.868 61.300 0.141 0.000 1.196 707 I CB -0.861 37.216 38.000 0.129 0.000 1.004 707 I HN 0.352 nan 8.210 nan 0.000 0.487 708 N N 2.736 121.489 118.700 0.088 0.000 2.412 708 N HA 0.039 4.781 4.740 0.004 0.000 0.254 708 N C -0.268 175.287 175.510 0.075 0.000 1.232 708 N CA 0.014 53.103 53.050 0.064 0.000 0.880 708 N CB 0.569 39.078 38.487 0.037 0.000 1.076 708 N HN 0.296 nan 8.380 nan 0.000 0.458 709 R N 2.588 123.115 120.500 0.045 0.000 2.343 709 R HA 0.292 4.634 4.340 0.004 0.000 0.320 709 R C -0.913 175.386 176.300 -0.002 0.000 0.956 709 R CA -0.706 55.404 56.100 0.016 0.000 0.836 709 R CB 1.458 31.755 30.300 -0.005 0.000 1.151 709 R HN 0.608 nan 8.270 nan 0.000 0.450 710 D N 0.376 120.768 120.400 -0.013 0.000 2.723 710 D HA 0.532 5.174 4.640 0.004 0.000 0.205 710 D C 0.795 177.068 176.300 -0.045 0.000 1.295 710 D CA 0.278 54.270 54.000 -0.013 0.000 1.112 710 D CB -0.023 40.785 40.800 0.014 0.000 1.193 710 D HN 0.522 nan 8.370 nan 0.000 0.610 711 G N -0.462 108.317 108.800 -0.035 0.000 2.642 711 G HA2 -0.154 3.809 3.960 0.004 0.000 0.231 711 G HA3 -0.154 3.809 3.960 0.004 0.000 0.231 711 G C 0.007 174.876 174.900 -0.052 0.000 1.338 711 G CA 0.507 45.575 45.100 -0.053 0.000 0.883 711 G HN 0.459 nan 8.290 nan 0.000 0.570 712 Q N -0.656 119.107 119.800 -0.062 0.000 2.623 712 Q HA 0.482 4.824 4.340 0.004 0.000 0.204 712 Q C -0.236 175.730 176.000 -0.056 0.000 0.942 712 Q CA 0.667 56.438 55.803 -0.053 0.000 0.459 712 Q CB 0.707 29.411 28.738 -0.056 0.000 4.000 712 Q HN 0.863 nan 8.270 nan 0.000 0.282 713 E N 0.696 120.866 120.200 -0.050 0.000 2.956 713 E HA 0.223 4.576 4.350 0.004 0.000 0.353 713 E C -1.590 174.989 176.600 -0.034 0.000 1.131 713 E CA 0.117 56.492 56.400 -0.043 0.000 0.851 713 E CB 0.590 30.270 29.700 -0.034 0.000 1.500 713 E HN 0.387 nan 8.360 nan 0.000 0.384 714 E N 1.462 121.643 120.200 -0.033 0.000 2.458 714 E HA 0.457 4.809 4.350 0.004 0.000 0.278 714 E C -1.410 175.184 176.600 -0.009 0.000 1.004 714 E CA -0.804 55.583 56.400 -0.022 0.000 0.823 714 E CB 1.620 31.303 29.700 -0.028 0.000 1.396 714 E HN 0.080 nan 8.360 nan 0.000 0.463 715 K N 1.273 121.673 120.400 0.000 0.000 2.270 715 K HA 0.349 4.672 4.320 0.004 0.000 0.255 715 K C -0.064 176.549 176.600 0.021 0.000 0.936 715 K CA -0.339 55.957 56.287 0.016 0.000 0.809 715 K CB 2.311 34.822 32.500 0.018 0.000 1.131 715 K HN 0.478 nan 8.250 nan 0.000 0.427 716 Q N 1.413 121.234 119.800 0.036 0.000 1.507 716 Q HA 0.105 4.448 4.340 0.004 0.000 0.144 716 Q C -0.325 175.709 176.000 0.056 0.000 0.435 716 Q CA 0.092 55.917 55.803 0.038 0.000 0.760 716 Q CB 0.781 29.534 28.738 0.024 0.000 0.774 716 Q HN 0.311 nan 8.270 nan 0.000 0.159 717 V N 0.275 120.224 119.914 0.059 0.000 3.487 717 V HA 0.249 4.372 4.120 0.004 0.000 0.263 717 V C 0.283 176.424 176.094 0.079 0.000 1.722 717 V CA 0.861 63.202 62.300 0.070 0.000 1.066 717 V CB 1.160 33.017 31.823 0.058 0.000 0.905 717 V HN 0.456 nan 8.190 nan 0.000 0.387 718 S N 0.579 116.327 115.700 0.080 0.000 2.136 718 S HA 0.599 5.072 4.470 0.004 0.000 0.205 718 S C -0.369 174.363 174.600 0.220 0.000 1.346 718 S CA 0.897 59.160 58.200 0.105 0.000 1.084 718 S CB 0.443 63.682 63.200 0.064 0.000 0.767 718 S HN 0.695 nan 8.310 nan 0.000 0.423 719 F N -0.379 119.569 119.950 -0.003 0.000 2.952 719 F HA 0.255 4.784 4.527 0.003 0.000 0.329 719 F C -0.781 175.024 175.800 0.008 0.000 1.137 719 F CA -0.929 57.072 58.000 0.002 0.000 0.889 719 F CB 0.109 39.110 39.000 0.001 0.000 1.335 719 F HN 0.554 nan 8.300 nan 0.000 0.449 720 N N 0.805 118.783 118.700 -1.204 0.000 2.240 720 N HA 0.307 5.049 4.740 0.004 0.000 0.250 720 N C -0.697 174.663 175.510 -0.250 0.000 1.316 720 N CA 0.771 53.386 53.050 -0.725 0.000 0.894 720 N CB 0.005 37.976 38.487 -0.860 0.000 1.101 720 N HN 0.887 nan 8.380 nan 0.000 0.491 721 S N -0.782 114.862 115.700 -0.093 0.000 3.312 721 S HA -0.196 4.277 4.470 0.004 0.000 0.423 721 S C 0.540 175.210 174.600 0.116 0.000 0.840 721 S CA 0.010 58.260 58.200 0.084 0.000 1.357 721 S CB -1.738 61.585 63.200 0.205 0.000 0.969 721 S HN 0.572 nan 8.310 nan 0.000 0.641 722 I N 1.211 121.834 120.570 0.088 0.000 2.657 722 I HA -0.188 3.984 4.170 0.004 0.000 0.261 722 I C 1.689 177.888 176.117 0.136 0.000 1.212 722 I CA 1.928 63.282 61.300 0.090 0.000 1.453 722 I CB -0.058 37.987 38.000 0.075 0.000 1.092 722 I HN 0.879 nan 8.210 nan 0.000 0.452 723 Y N -0.130 120.198 120.300 0.047 0.000 2.500 723 Y HA 0.001 4.553 4.550 0.005 0.000 0.284 723 Y C 2.233 178.157 175.900 0.040 0.000 1.118 723 Y CA 0.808 58.934 58.100 0.043 0.000 1.241 723 Y CB -0.007 38.483 38.460 0.051 0.000 1.171 723 Y HN 0.036 nan 8.280 nan 0.000 0.540 724 M N -0.450 119.254 119.600 0.173 0.000 2.213 724 M HA -0.199 4.283 4.480 0.004 0.000 0.263 724 M C 1.058 177.299 176.300 -0.099 0.000 1.062 724 M CA 1.648 57.012 55.300 0.106 0.000 1.105 724 M CB 0.069 32.830 32.600 0.269 0.000 1.385 724 M HN 0.282 nan 8.290 nan 0.000 0.417 725 M N -0.807 118.776 119.600 -0.028 0.000 2.435 725 M HA 0.122 4.604 4.480 0.004 0.000 0.265 725 M C 2.238 178.447 176.300 -0.151 0.000 1.104 725 M CA 1.074 56.337 55.300 -0.061 0.000 1.140 725 M CB -1.243 31.407 32.600 0.085 0.000 1.372 725 M HN 0.397 nan 8.290 nan 0.000 0.456 726 A N -0.110 122.600 122.820 -0.183 0.000 2.016 726 A HA -0.119 4.204 4.320 0.004 0.000 0.217 726 A C 1.948 179.346 177.584 -0.310 0.000 1.162 726 A CA 1.720 53.634 52.037 -0.204 0.000 0.662 726 A CB -0.421 18.481 19.000 -0.163 0.000 0.812 726 A HN 0.387 nan 8.150 nan 0.000 0.450 727 D N -0.391 119.717 120.400 -0.486 0.000 2.301 727 D HA -0.070 4.572 4.640 0.004 0.000 0.206 727 D C 2.147 178.155 176.300 -0.485 0.000 0.979 727 D CA 1.306 55.009 54.000 -0.494 0.000 0.874 727 D CB 0.032 40.447 40.800 -0.641 0.000 0.968 727 D HN 0.415 nan 8.370 nan 0.000 0.510 728 S N -0.892 114.433 115.700 -0.626 0.000 2.481 728 S HA 0.128 4.600 4.470 0.004 0.000 0.231 728 S C 1.823 176.249 174.600 -0.290 0.000 0.996 728 S CA 0.865 58.678 58.200 -0.644 0.000 0.942 728 S CB -0.284 62.553 63.200 -0.606 0.000 0.768 728 S HN 0.395 nan 8.310 nan 0.000 0.520 729 G N 0.437 109.105 108.800 -0.220 0.000 2.137 729 G HA2 -0.130 3.832 3.960 0.004 0.000 0.237 729 G HA3 -0.130 3.832 3.960 0.004 0.000 0.237 729 G C 0.694 175.539 174.900 -0.093 0.000 1.002 729 G CA 0.268 45.292 45.100 -0.126 0.000 0.702 729 G HN 1.013 nan 8.290 nan 0.000 0.515 730 A N -0.340 122.417 122.820 -0.106 0.000 1.865 730 A HA 0.711 5.033 4.320 0.004 0.000 0.216 730 A C 1.332 178.894 177.584 -0.036 0.000 1.315 730 A CA 2.196 54.193 52.037 -0.066 0.000 0.605 730 A CB 0.124 19.081 19.000 -0.073 0.000 0.984 730 A HN 1.331 nan 8.150 nan 0.000 0.470 731 R N -2.356 118.126 120.500 -0.029 0.000 2.536 731 R HA 0.496 4.838 4.340 0.004 0.000 0.269 731 R C -1.056 175.239 176.300 -0.009 0.000 1.113 731 R CA 0.450 56.544 56.100 -0.010 0.000 0.948 731 R CB 1.290 31.597 30.300 0.012 0.000 1.237 731 R HN 1.569 nan 8.270 nan 0.000 0.441 732 G N 2.386 111.179 108.800 -0.011 0.000 2.486 732 G HA2 0.122 4.085 3.960 0.004 0.000 0.220 732 G HA3 0.122 4.085 3.960 0.004 0.000 0.220 732 G C -1.010 173.882 174.900 -0.013 0.000 1.313 732 G CA -0.330 44.765 45.100 -0.008 0.000 1.187 732 G HN 0.870 nan 8.290 nan 0.000 0.599 733 S N 0.930 116.628 115.700 -0.003 0.000 2.632 733 S HA 0.749 5.221 4.470 0.004 0.000 0.271 733 S C 1.809 176.415 174.600 0.010 0.000 1.260 733 S CA 0.412 58.612 58.200 -0.000 0.000 1.010 733 S CB 2.023 65.225 63.200 0.003 0.000 0.965 733 S HN 2.009 nan 8.310 nan 0.000 0.534 734 A N 1.478 124.307 122.820 0.014 0.000 2.076 734 A HA 0.129 4.451 4.320 0.004 0.000 0.220 734 A C 2.226 179.828 177.584 0.030 0.000 1.160 734 A CA 1.660 53.712 52.037 0.026 0.000 0.653 734 A CB -1.455 17.561 19.000 0.027 0.000 0.801 734 A HN 1.259 nan 8.150 nan 0.000 0.455 735 A N -0.708 122.127 122.820 0.025 0.000 1.897 735 A HA -0.126 4.196 4.320 0.004 0.000 0.215 735 A C 2.121 179.724 177.584 0.032 0.000 1.181 735 A CA 1.419 53.474 52.037 0.029 0.000 0.620 735 A CB -0.450 18.563 19.000 0.022 0.000 0.821 735 A HN 0.624 nan 8.150 nan 0.000 0.443 736 Q N -0.815 118.999 119.800 0.024 0.000 2.046 736 Q HA -0.109 4.233 4.340 0.004 0.000 0.200 736 Q C 1.917 177.933 176.000 0.027 0.000 0.975 736 Q CA 1.357 57.172 55.803 0.020 0.000 0.836 736 Q CB -0.335 28.408 28.738 0.009 0.000 0.896 736 Q HN 0.569 nan 8.270 nan 0.000 0.428 737 I N 0.984 121.571 120.570 0.029 0.000 2.335 737 I HA -0.284 3.889 4.170 0.004 0.000 0.251 737 I C 2.381 178.529 176.117 0.053 0.000 1.129 737 I CA 1.316 62.639 61.300 0.038 0.000 1.402 737 I CB -0.459 37.568 38.000 0.045 0.000 1.069 737 I HN 0.135 nan 8.210 nan 0.000 0.424 738 R N 0.582 121.116 120.500 0.057 0.000 2.139 738 R HA -0.195 4.147 4.340 0.004 0.000 0.243 738 R C 1.390 177.747 176.300 0.095 0.000 1.145 738 R CA 1.211 57.352 56.100 0.068 0.000 0.976 738 R CB -0.024 30.313 30.300 0.062 0.000 0.866 738 R HN 0.394 nan 8.270 nan 0.000 0.449 739 Q N -0.168 119.697 119.800 0.108 0.000 2.373 739 Q HA 0.032 4.374 4.340 0.004 0.000 0.206 739 Q C 0.918 177.025 176.000 0.178 0.000 0.942 739 Q CA 0.283 56.201 55.803 0.193 0.000 0.953 739 Q CB 0.719 29.564 28.738 0.179 0.000 1.022 739 Q HN 0.323 nan 8.270 nan 0.000 0.502 740 L N -2.057 119.232 121.223 0.111 0.000 2.713 740 L HA 0.298 4.641 4.340 0.004 0.000 0.223 740 L C 1.497 178.420 176.870 0.089 0.000 1.040 740 L CA 1.073 55.961 54.840 0.081 0.000 0.894 740 L CB -0.865 41.211 42.059 0.028 0.000 1.361 740 L HN 0.036 nan 8.230 nan 0.000 0.490 741 A N -0.737 122.129 122.820 0.077 0.000 2.192 741 A HA 0.562 4.885 4.320 0.004 0.000 0.208 741 A C 1.309 178.929 177.584 0.061 0.000 1.220 741 A CA 0.653 52.730 52.037 0.066 0.000 0.900 741 A CB -0.022 19.012 19.000 0.057 0.000 0.937 741 A HN 0.315 nan 8.150 nan 0.000 0.487 742 G N -0.037 108.803 108.800 0.067 0.000 2.945 742 G HA2 0.510 4.473 3.960 0.004 0.000 0.156 742 G HA3 0.510 4.473 3.960 0.004 0.000 0.156 742 G C 0.442 175.376 174.900 0.056 0.000 1.375 742 G CA -0.000 45.132 45.100 0.054 0.000 1.039 742 G HN 0.480 nan 8.290 nan 0.000 0.586 743 M N -1.862 117.769 119.600 0.053 0.000 2.513 743 M HA 0.710 5.192 4.480 0.004 0.000 0.250 743 M C 1.339 177.662 176.300 0.038 0.000 1.145 743 M CA -0.660 54.661 55.300 0.035 0.000 0.948 743 M CB 1.203 33.832 32.600 0.047 0.000 1.405 743 M HN 0.315 nan 8.290 nan 0.000 0.546 744 R N -0.150 120.341 120.500 -0.015 0.000 2.128 744 R HA 0.416 4.758 4.340 0.004 0.000 0.211 744 R C 0.535 176.834 176.300 -0.002 0.000 1.067 744 R CA 1.527 57.614 56.100 -0.021 0.000 1.010 744 R CB -0.288 29.933 30.300 -0.130 0.000 0.922 744 R HN 1.136 nan 8.270 nan 0.000 0.457 745 G N -0.652 108.138 108.800 -0.016 0.000 2.548 745 G HA2 -0.155 3.807 3.960 0.004 0.000 0.208 745 G HA3 -0.155 3.807 3.960 0.004 0.000 0.208 745 G C -1.286 173.581 174.900 -0.055 0.000 1.308 745 G CA -0.319 44.779 45.100 -0.002 0.000 0.924 745 G HN 0.150 nan 8.290 nan 0.000 0.540 746 L N 0.707 121.906 121.223 -0.039 0.000 2.317 746 L HA 0.607 4.949 4.340 0.004 0.000 0.281 746 L C 1.026 177.856 176.870 -0.067 0.000 1.024 746 L CA -1.147 53.648 54.840 -0.076 0.000 0.810 746 L CB 1.565 43.591 42.059 -0.056 0.000 1.240 746 L HN 0.565 nan 8.230 nan 0.000 0.427 747 M N 1.884 121.432 119.600 -0.086 0.000 2.237 747 M HA 0.705 5.187 4.480 0.004 0.000 0.209 747 M C -0.018 176.237 176.300 -0.074 0.000 1.058 747 M CA -0.482 54.775 55.300 -0.072 0.000 1.376 747 M CB 0.802 33.361 32.600 -0.069 0.000 1.151 747 M HN 0.657 nan 8.290 nan 0.000 0.711 748 A N 0.237 123.017 122.820 -0.067 0.000 2.566 748 A HA 0.577 4.899 4.320 0.004 0.000 0.297 748 A C -0.870 176.672 177.584 -0.069 0.000 1.059 748 A CA -0.889 51.106 52.037 -0.070 0.000 0.691 748 A CB 1.407 20.366 19.000 -0.069 0.000 1.282 748 A HN 0.528 nan 8.150 nan 0.000 0.401 749 K N 2.363 122.714 120.400 -0.080 0.000 2.202 749 K HA 0.286 4.609 4.320 0.004 0.000 0.264 749 K C -1.602 174.967 176.600 -0.051 0.000 1.010 749 K CA -1.908 54.319 56.287 -0.099 0.000 0.940 749 K CB 0.721 33.180 32.500 -0.069 0.000 0.983 749 K HN 0.450 nan 8.250 nan 0.000 0.475 750 P HA -0.219 nan 4.420 nan 0.000 0.218 750 P C 0.680 177.963 177.300 -0.029 0.000 1.146 750 P CA 1.339 64.437 63.100 -0.002 0.000 0.813 750 P CB 0.412 32.138 31.700 0.043 0.000 0.778 751 D N -0.243 120.142 120.400 -0.024 0.000 2.121 751 D HA -0.012 4.630 4.640 0.004 0.000 0.209 751 D C 1.792 178.062 176.300 -0.051 0.000 0.981 751 D CA 2.281 56.269 54.000 -0.020 0.000 0.875 751 D CB -0.465 40.336 40.800 0.001 0.000 1.016 751 D HN 0.192 nan 8.370 nan 0.000 0.452 752 G N -0.958 107.821 108.800 -0.036 0.000 4.474 752 G HA2 0.048 4.010 3.960 0.004 0.000 0.202 752 G HA3 0.048 4.010 3.960 0.004 0.000 0.202 752 G C 0.315 175.215 174.900 -0.001 0.000 0.708 752 G CA 0.592 45.663 45.100 -0.048 0.000 0.806 752 G HN 0.536 nan 8.290 nan 0.000 0.508 753 S N -0.161 115.565 115.700 0.043 0.000 2.625 753 S HA 0.744 5.216 4.470 0.004 0.000 0.262 753 S C 0.120 174.745 174.600 0.042 0.000 1.223 753 S CA -0.396 57.881 58.200 0.127 0.000 0.993 753 S CB 1.639 65.009 63.200 0.283 0.000 1.051 753 S HN 0.794 nan 8.310 nan 0.000 0.562 754 I N 0.066 120.633 120.570 -0.005 0.000 2.582 754 I HA 0.478 4.650 4.170 0.004 0.000 0.292 754 I C -0.803 175.174 176.117 -0.232 0.000 1.066 754 I CA -1.511 59.711 61.300 -0.131 0.000 1.053 754 I CB 1.650 39.559 38.000 -0.152 0.000 1.241 754 I HN 0.803 nan 8.210 nan 0.000 0.421 755 I N 6.565 127.029 120.570 -0.177 0.000 2.845 755 I HA -0.066 4.107 4.170 0.004 0.000 0.296 755 I C 1.077 177.041 176.117 -0.255 0.000 1.216 755 I CA 0.866 62.059 61.300 -0.178 0.000 1.438 755 I CB 0.517 38.427 38.000 -0.150 0.000 1.342 755 I HN 0.743 nan 8.210 nan 0.000 0.577 756 E N 2.960 123.029 120.200 -0.218 0.000 1.998 756 E HA -0.128 4.224 4.350 0.004 0.000 0.195 756 E C 0.494 176.962 176.600 -0.219 0.000 0.994 756 E CA 1.441 57.703 56.400 -0.231 0.000 0.835 756 E CB -0.346 29.284 29.700 -0.117 0.000 0.786 756 E HN 0.739 nan 8.360 nan 0.000 0.467 757 T N 3.154 117.597 114.554 -0.184 0.000 2.769 757 T HA 0.113 4.466 4.350 0.004 0.000 0.293 757 T C -2.383 172.135 174.700 -0.304 0.000 0.931 757 T CA -1.829 60.138 62.100 -0.222 0.000 1.139 757 T CB 0.521 69.296 68.868 -0.154 0.000 0.881 757 T HN -0.157 nan 8.240 nan 0.000 0.532 758 P HA 0.257 nan 4.420 nan 0.000 0.272 758 P C -0.218 176.827 177.300 -0.425 0.000 1.254 758 P CA -0.265 62.473 63.100 -0.604 0.000 0.795 758 P CB 0.264 31.196 31.700 -1.279 0.000 1.022 759 I N -3.405 116.957 120.570 -0.346 0.000 2.778 759 I HA 0.276 4.449 4.170 0.004 0.000 0.285 759 I C 0.273 176.263 176.117 -0.212 0.000 1.236 759 I CA -0.462 60.698 61.300 -0.235 0.000 1.089 759 I CB 0.345 38.242 38.000 -0.171 0.000 1.601 759 I HN 0.037 nan 8.210 nan 0.000 0.573 760 T N 1.929 116.350 114.554 -0.222 0.000 2.881 760 T HA -0.021 4.332 4.350 0.004 0.000 0.270 760 T C 1.350 175.992 174.700 -0.096 0.000 1.068 760 T CA 1.081 63.108 62.100 -0.122 0.000 1.131 760 T CB -0.124 68.710 68.868 -0.056 0.000 0.871 760 T HN 0.730 nan 8.240 nan 0.000 0.479 761 A N 2.734 125.486 122.820 -0.113 0.000 2.553 761 A HA 0.192 4.514 4.320 0.004 0.000 0.258 761 A C 0.556 178.039 177.584 -0.168 0.000 1.069 761 A CA -0.223 51.748 52.037 -0.109 0.000 0.767 761 A CB -0.362 18.577 19.000 -0.103 0.000 0.997 761 A HN 0.330 nan 8.150 nan 0.000 0.512 762 N N 1.402 120.030 118.700 -0.121 0.000 2.413 762 N HA 0.446 5.188 4.740 0.004 0.000 0.266 762 N C 0.447 175.863 175.510 -0.155 0.000 1.238 762 N CA -0.789 52.180 53.050 -0.135 0.000 0.972 762 N CB 0.149 38.643 38.487 0.012 0.000 1.210 762 N HN 0.394 nan 8.380 nan 0.000 0.547 763 F N -0.046 119.917 119.950 0.023 0.000 2.546 763 F HA 0.088 4.618 4.527 0.004 0.000 0.298 763 F C 2.350 178.159 175.800 0.015 0.000 1.120 763 F CA 0.391 58.404 58.000 0.022 0.000 1.456 763 F CB -0.129 38.886 39.000 0.024 0.000 1.088 763 F HN 0.492 nan 8.300 nan 0.000 0.572 764 R N 0.961 121.559 120.500 0.163 0.000 2.062 764 R HA -0.166 4.177 4.340 0.004 0.000 0.231 764 R C 1.659 177.998 176.300 0.064 0.000 1.136 764 R CA 1.980 58.141 56.100 0.102 0.000 0.948 764 R CB -0.122 30.226 30.300 0.081 0.000 0.845 764 R HN 0.136 nan 8.270 nan 0.000 0.430 765 E N -0.866 119.358 120.200 0.039 0.000 2.318 765 E HA 0.195 4.547 4.350 0.004 0.000 0.193 765 E C 0.121 176.726 176.600 0.009 0.000 0.998 765 E CA 0.745 57.158 56.400 0.021 0.000 0.859 765 E CB 0.787 30.495 29.700 0.013 0.000 0.812 765 E HN 0.590 nan 8.360 nan 0.000 0.492 766 G N 0.418 109.218 108.800 0.000 0.000 3.055 766 G HA2 -0.125 3.837 3.960 0.004 0.000 0.686 766 G HA3 -0.125 3.837 3.960 0.004 0.000 0.686 766 G C -0.986 173.881 174.900 -0.055 0.000 1.087 766 G CA -0.989 44.102 45.100 -0.015 0.000 0.779 766 G HN 0.012 nan 8.290 nan 0.000 0.599 767 L N 2.067 123.241 121.223 -0.081 0.000 2.371 767 L HA 0.447 4.790 4.340 0.004 0.000 0.272 767 L C 1.030 177.886 176.870 -0.023 0.000 1.124 767 L CA -0.695 54.103 54.840 -0.071 0.000 0.816 767 L CB 1.066 43.084 42.059 -0.068 0.000 1.129 767 L HN 0.763 nan 8.230 nan 0.000 0.448 768 N N 0.660 119.355 118.700 -0.008 0.000 2.371 768 N HA -0.009 4.733 4.740 0.004 0.000 0.243 768 N C 0.983 176.525 175.510 0.053 0.000 1.287 768 N CA 0.138 53.192 53.050 0.007 0.000 0.911 768 N CB 0.995 39.483 38.487 0.000 0.000 1.142 768 N HN 0.433 nan 8.380 nan 0.000 0.451 769 V N 2.393 122.332 119.914 0.041 0.000 2.343 769 V HA -0.157 3.965 4.120 0.004 0.000 0.247 769 V C 1.922 178.103 176.094 0.145 0.000 1.051 769 V CA 1.811 64.159 62.300 0.079 0.000 1.036 769 V CB -0.670 31.173 31.823 0.034 0.000 0.654 769 V HN 0.654 nan 8.190 nan 0.000 0.451 770 L N 0.304 121.579 121.223 0.087 0.000 2.109 770 L HA -0.086 4.257 4.340 0.004 0.000 0.207 770 L C 2.457 179.412 176.870 0.141 0.000 1.086 770 L CA 1.984 56.878 54.840 0.091 0.000 0.760 770 L CB -0.795 41.276 42.059 0.020 0.000 0.910 770 L HN 0.428 nan 8.230 nan 0.000 0.437 771 Q N -2.014 117.842 119.800 0.092 0.000 2.291 771 Q HA -0.216 4.127 4.340 0.004 0.000 0.205 771 Q C 1.697 177.755 176.000 0.097 0.000 0.970 771 Q CA 1.518 57.355 55.803 0.056 0.000 0.876 771 Q CB -0.185 28.550 28.738 -0.004 0.000 0.935 771 Q HN 0.651 nan 8.270 nan 0.000 0.455 772 Y N -0.650 119.672 120.300 0.037 0.000 2.517 772 Y HA -0.058 4.494 4.550 0.004 0.000 0.281 772 Y C 1.581 177.530 175.900 0.081 0.000 1.125 772 Y CA 0.235 58.355 58.100 0.033 0.000 1.283 772 Y CB 0.182 38.660 38.460 0.030 0.000 1.042 772 Y HN 0.074 nan 8.280 nan 0.000 0.547 773 F N -0.339 119.637 119.950 0.043 0.000 2.325 773 F HA -0.096 4.434 4.527 0.005 0.000 0.299 773 F C 1.395 177.217 175.800 0.037 0.000 1.090 773 F CA 1.218 59.225 58.000 0.011 0.000 1.392 773 F CB -0.039 39.007 39.000 0.077 0.000 1.053 773 F HN 0.012 nan 8.300 nan 0.000 0.521 774 I N -0.689 119.949 120.570 0.114 0.000 2.584 774 I HA -0.125 4.047 4.170 0.004 0.000 0.255 774 I C 2.544 178.655 176.117 -0.010 0.000 1.145 774 I CA 0.997 62.384 61.300 0.144 0.000 1.462 774 I CB -0.837 37.197 38.000 0.057 0.000 1.102 774 I HN 0.079 nan 8.210 nan 0.000 0.433 775 S N -0.098 115.509 115.700 -0.156 0.000 2.500 775 S HA -0.148 4.325 4.470 0.004 0.000 0.239 775 S C 2.072 176.499 174.600 -0.289 0.000 0.989 775 S CA 1.741 59.813 58.200 -0.213 0.000 0.951 775 S CB -0.526 62.522 63.200 -0.254 0.000 0.759 775 S HN 0.647 nan 8.310 nan 0.000 0.523 776 T N -2.029 112.275 114.554 -0.417 0.000 3.081 776 T HA 0.126 4.478 4.350 0.004 0.000 0.255 776 T C 1.485 175.926 174.700 -0.432 0.000 1.113 776 T CA 0.288 62.109 62.100 -0.466 0.000 1.082 776 T CB -0.392 68.119 68.868 -0.595 0.000 0.939 776 T HN 0.514 nan 8.240 nan 0.000 0.506 777 H N 1.235 120.136 119.070 -0.283 0.000 2.343 777 H HA 0.193 4.751 4.556 0.004 0.000 0.303 777 H C 2.639 177.871 175.328 -0.160 0.000 1.068 777 H CA 1.338 57.256 56.048 -0.217 0.000 1.359 777 H CB -0.496 29.145 29.762 -0.202 0.000 1.402 777 H HN 0.545 nan 8.280 nan 0.000 0.515 778 G N 0.183 108.970 108.800 -0.021 0.000 2.744 778 G HA2 0.013 3.975 3.960 0.004 0.000 0.211 778 G HA3 0.013 3.975 3.960 0.004 0.000 0.211 778 G C 1.564 176.423 174.900 -0.069 0.000 1.143 778 G CA 0.546 45.616 45.100 -0.050 0.000 0.788 778 G HN 0.422 nan 8.290 nan 0.000 0.534 779 A N 0.145 122.909 122.820 -0.093 0.000 2.251 779 A HA 0.263 4.585 4.320 0.004 0.000 0.209 779 A C 2.150 179.684 177.584 -0.084 0.000 1.187 779 A CA 0.142 52.127 52.037 -0.087 0.000 0.823 779 A CB -0.005 18.930 19.000 -0.107 0.000 0.846 779 A HN 0.147 nan 8.150 nan 0.000 0.486 780 R N -0.538 119.908 120.500 -0.091 0.000 2.312 780 R HA 0.147 4.489 4.340 0.004 0.000 0.205 780 R C 0.540 176.794 176.300 -0.076 0.000 0.904 780 R CA 0.476 56.526 56.100 -0.083 0.000 1.052 780 R CB -0.084 30.161 30.300 -0.091 0.000 1.014 780 R HN 0.277 nan 8.270 nan 0.000 0.503 781 K N -0.130 120.221 120.400 -0.081 0.000 2.426 781 K HA 0.148 4.470 4.320 0.004 0.000 0.193 781 K C 1.674 178.231 176.600 -0.073 0.000 1.028 781 K CA 0.603 56.831 56.287 -0.098 0.000 1.047 781 K CB -0.047 32.385 32.500 -0.114 0.000 0.821 781 K HN 0.181 nan 8.250 nan 0.000 0.513 782 G N 1.236 110.004 108.800 -0.053 0.000 2.454 782 G HA2 -0.111 3.851 3.960 0.004 0.000 0.214 782 G HA3 -0.111 3.851 3.960 0.004 0.000 0.214 782 G C 0.784 175.669 174.900 -0.024 0.000 1.217 782 G CA 0.381 45.460 45.100 -0.035 0.000 0.799 782 G HN 0.268 nan 8.290 nan 0.000 0.538 783 L N -0.591 120.618 121.223 -0.025 0.000 2.955 783 L HA 0.696 5.039 4.340 0.004 0.000 0.238 783 L C 0.938 177.803 176.870 -0.010 0.000 1.359 783 L CA 0.558 55.390 54.840 -0.013 0.000 1.214 783 L CB -0.745 41.305 42.059 -0.014 0.000 1.600 783 L HN 0.233 nan 8.230 nan 0.000 0.442 784 A N -0.799 122.015 122.820 -0.010 0.000 2.425 784 A HA 0.210 4.532 4.320 0.004 0.000 0.201 784 A C 0.984 178.593 177.584 0.041 0.000 1.431 784 A CA -0.041 51.997 52.037 0.002 0.000 1.066 784 A CB 0.366 19.345 19.000 -0.035 0.000 1.318 784 A HN 0.322 nan 8.150 nan 0.000 0.534 785 D N -0.869 119.551 120.400 0.033 0.000 2.398 785 D HA 0.132 4.775 4.640 0.004 0.000 0.210 785 D C 1.065 177.413 176.300 0.080 0.000 1.094 785 D CA 1.145 55.200 54.000 0.093 0.000 0.839 785 D CB 0.790 41.622 40.800 0.054 0.000 0.963 785 D HN 0.267 nan 8.370 nan 0.000 0.506 786 T N -0.793 113.789 114.554 0.047 0.000 3.132 786 T HA 0.331 4.683 4.350 0.004 0.000 0.274 786 T C 1.213 175.930 174.700 0.029 0.000 1.011 786 T CA 0.153 62.274 62.100 0.034 0.000 0.899 786 T CB 0.042 68.923 68.868 0.021 0.000 1.089 786 T HN 0.018 nan 8.240 nan 0.000 0.543 787 A N 0.521 123.362 122.820 0.035 0.000 2.276 787 A HA 0.474 4.796 4.320 0.004 0.000 0.212 787 A C 1.627 179.224 177.584 0.022 0.000 1.230 787 A CA 0.143 52.196 52.037 0.026 0.000 0.844 787 A CB -0.373 18.644 19.000 0.029 0.000 0.860 787 A HN 0.602 nan 8.150 nan 0.000 0.486 788 L N -2.321 118.915 121.223 0.022 0.000 2.600 788 L HA 0.239 4.581 4.340 0.004 0.000 0.213 788 L C 1.976 178.848 176.870 0.004 0.000 1.045 788 L CA 0.381 55.225 54.840 0.007 0.000 0.863 788 L CB 0.074 42.133 42.059 0.000 0.000 1.189 788 L HN 0.197 nan 8.230 nan 0.000 0.484 789 K N -0.395 120.011 120.400 0.011 0.000 2.217 789 K HA -0.073 4.250 4.320 0.004 0.000 0.202 789 K C 1.701 178.308 176.600 0.013 0.000 1.051 789 K CA 1.733 58.027 56.287 0.012 0.000 0.952 789 K CB -0.109 32.400 32.500 0.016 0.000 0.736 789 K HN 0.461 nan 8.250 nan 0.000 0.453 790 T N -1.548 113.014 114.554 0.012 0.000 3.088 790 T HA 0.152 4.505 4.350 0.004 0.000 0.259 790 T C 1.895 176.601 174.700 0.010 0.000 1.122 790 T CA 0.520 62.627 62.100 0.011 0.000 1.095 790 T CB 0.082 68.956 68.868 0.010 0.000 0.930 790 T HN 0.111 nan 8.240 nan 0.000 0.508 791 A N 2.482 125.307 122.820 0.009 0.000 1.819 791 A HA 0.141 4.463 4.320 0.004 0.000 0.215 791 A C 1.259 178.850 177.584 0.013 0.000 1.226 791 A CA 1.061 53.103 52.037 0.008 0.000 0.608 791 A CB -0.467 18.534 19.000 0.002 0.000 0.877 791 A HN 0.655 nan 8.150 nan 0.000 0.452 792 N N -1.301 117.409 118.700 0.016 0.000 2.932 792 N HA 0.094 4.836 4.740 0.004 0.000 0.242 792 N C -0.174 175.363 175.510 0.045 0.000 1.351 792 N CA 0.559 53.627 53.050 0.031 0.000 0.785 792 N CB 0.772 39.286 38.487 0.044 0.000 1.501 792 N HN 0.287 nan 8.380 nan 0.000 0.584 793 S N 0.497 116.219 115.700 0.038 0.000 2.671 793 S HA 0.130 4.603 4.470 0.004 0.000 0.220 793 S C 1.365 176.003 174.600 0.062 0.000 0.951 793 S CA 0.078 58.306 58.200 0.047 0.000 0.932 793 S CB 0.352 63.572 63.200 0.033 0.000 0.777 793 S HN 0.506 nan 8.310 nan 0.000 0.508 794 G N 0.079 108.917 108.800 0.065 0.000 3.233 794 G HA2 0.085 4.048 3.960 0.004 0.000 0.227 794 G HA3 0.085 4.048 3.960 0.004 0.000 0.227 794 G C 0.571 175.509 174.900 0.064 0.000 1.175 794 G CA -0.312 44.816 45.100 0.047 0.000 0.781 794 G HN 0.551 nan 8.290 nan 0.000 0.542 795 Y N 0.464 120.753 120.300 -0.018 0.000 2.373 795 Y HA 0.102 4.653 4.550 0.001 0.000 0.293 795 Y C 2.226 178.104 175.900 -0.036 0.000 1.129 795 Y CA 0.897 58.986 58.100 -0.019 0.000 1.226 795 Y CB 0.137 38.585 38.460 -0.019 0.000 1.000 795 Y HN 0.194 nan 8.280 nan 0.000 0.549 796 L N -0.827 120.417 121.223 0.036 0.000 2.056 796 L HA -0.189 4.154 4.340 0.004 0.000 0.207 796 L C 1.901 178.693 176.870 -0.129 0.000 1.078 796 L CA 2.054 56.851 54.840 -0.071 0.000 0.749 796 L CB -0.464 41.567 42.059 -0.046 0.000 0.901 796 L HN 0.156 nan 8.230 nan 0.000 0.433 797 T N -1.361 113.144 114.554 -0.081 0.000 3.118 797 T HA -0.094 4.258 4.350 0.004 0.000 0.260 797 T C 1.700 176.346 174.700 -0.090 0.000 1.139 797 T CA 0.426 62.486 62.100 -0.066 0.000 1.085 797 T CB -0.142 68.707 68.868 -0.032 0.000 0.934 797 T HN 0.159 nan 8.240 nan 0.000 0.518 798 R N 0.846 121.249 120.500 -0.163 0.000 2.307 798 R HA 0.140 4.483 4.340 0.004 0.000 0.199 798 R C 2.001 178.172 176.300 -0.216 0.000 1.000 798 R CA 0.669 56.651 56.100 -0.197 0.000 1.023 798 R CB 0.086 30.197 30.300 -0.315 0.000 0.908 798 R HN 0.088 nan 8.270 nan 0.000 0.473 799 R N -1.055 119.317 120.500 -0.214 0.000 2.191 799 R HA 0.192 4.534 4.340 0.004 0.000 0.196 799 R C 1.951 178.198 176.300 -0.088 0.000 0.991 799 R CA 0.451 56.451 56.100 -0.168 0.000 1.075 799 R CB -0.449 29.751 30.300 -0.167 0.000 1.040 799 R HN 0.222 nan 8.270 nan 0.000 0.526 800 L N 0.680 121.878 121.223 -0.042 0.000 2.044 800 L HA -0.064 4.278 4.340 0.004 0.000 0.205 800 L C 2.370 179.240 176.870 -0.001 0.000 1.075 800 L CA 0.983 55.835 54.840 0.020 0.000 0.747 800 L CB -0.567 41.532 42.059 0.067 0.000 0.903 800 L HN -0.136 nan 8.230 nan 0.000 0.435 801 V N -0.318 119.591 119.914 -0.007 0.000 2.392 801 V HA -0.274 3.849 4.120 0.004 0.000 0.249 801 V C 1.369 177.471 176.094 0.013 0.000 1.059 801 V CA 1.713 64.021 62.300 0.013 0.000 1.051 801 V CB -0.570 31.265 31.823 0.019 0.000 0.658 801 V HN 0.416 nan 8.190 nan 0.000 0.455 802 D N -0.927 119.449 120.400 -0.040 0.000 2.332 802 D HA 0.063 4.705 4.640 0.004 0.000 0.244 802 D C 1.132 177.199 176.300 -0.389 0.000 1.136 802 D CA 0.460 54.382 54.000 -0.131 0.000 0.884 802 D CB 0.692 41.375 40.800 -0.195 0.000 0.906 802 D HN 0.381 nan 8.370 nan 0.000 0.520 803 V N -0.444 119.372 119.914 -0.163 0.000 3.261 803 V HA 0.170 4.293 4.120 0.004 0.000 0.212 803 V C 1.586 177.677 176.094 -0.006 0.000 1.381 803 V CA 0.383 62.606 62.300 -0.128 0.000 1.322 803 V CB 0.009 31.768 31.823 -0.107 0.000 1.188 803 V HN 0.110 nan 8.190 nan 0.000 0.520 804 A N 1.118 123.949 122.820 0.019 0.000 2.310 804 A HA 0.072 4.395 4.320 0.004 0.000 0.230 804 A C 1.649 179.270 177.584 0.062 0.000 1.294 804 A CA 0.699 52.768 52.037 0.052 0.000 0.898 804 A CB -0.444 18.590 19.000 0.056 0.000 0.917 804 A HN 0.705 nan 8.150 nan 0.000 0.491 805 Q N 0.335 120.174 119.800 0.066 0.000 2.436 805 Q HA -0.104 4.239 4.340 0.004 0.000 0.209 805 Q C 0.531 176.580 176.000 0.081 0.000 0.965 805 Q CA 1.501 57.351 55.803 0.078 0.000 0.910 805 Q CB -0.410 28.394 28.738 0.109 0.000 0.980 805 Q HN 0.643 nan 8.270 nan 0.000 0.491 806 D N -0.906 119.548 120.400 0.090 0.000 2.398 806 D HA 0.011 4.653 4.640 0.004 0.000 0.210 806 D C 0.090 176.467 176.300 0.128 0.000 1.094 806 D CA -0.309 53.752 54.000 0.101 0.000 0.839 806 D CB 0.000 40.847 40.800 0.077 0.000 0.963 806 D HN 0.176 nan 8.370 nan 0.000 0.506 807 L N 2.230 123.515 121.223 0.104 0.000 2.387 807 L HA 0.337 4.679 4.340 0.004 0.000 0.267 807 L C -1.069 175.824 176.870 0.038 0.000 1.197 807 L CA 0.021 54.913 54.840 0.087 0.000 1.070 807 L CB -0.233 41.871 42.059 0.075 0.000 1.349 807 L HN -0.182 nan 8.230 nan 0.000 0.422 808 V N 3.017 122.940 119.914 0.016 0.000 2.876 808 V HA 0.345 4.467 4.120 0.004 0.000 0.312 808 V C 0.243 176.239 176.094 -0.164 0.000 1.085 808 V CA -1.036 61.219 62.300 -0.075 0.000 0.945 808 V CB 2.470 34.245 31.823 -0.080 0.000 1.017 808 V HN 0.200 nan 8.190 nan 0.000 0.428 809 V N 2.454 122.233 119.914 -0.224 0.000 2.584 809 V HA -0.015 4.108 4.120 0.004 0.000 0.303 809 V C 1.441 177.260 176.094 -0.457 0.000 1.035 809 V CA 1.539 63.681 62.300 -0.263 0.000 1.172 809 V CB 0.720 32.395 31.823 -0.247 0.000 0.896 809 V HN 1.153 nan 8.190 nan 0.000 0.486 810 T N 3.103 117.478 114.554 -0.298 0.000 3.000 810 T HA 0.178 4.531 4.350 0.004 0.000 0.248 810 T C 0.441 175.045 174.700 -0.159 0.000 1.034 810 T CA 0.812 62.787 62.100 -0.208 0.000 1.060 810 T CB 0.089 69.013 68.868 0.093 0.000 0.983 810 T HN 0.958 nan 8.240 nan 0.000 0.482 811 E N -0.824 119.190 120.200 -0.309 0.000 2.415 811 E HA 0.336 4.688 4.350 0.004 0.000 0.271 811 E C -0.368 175.952 176.600 -0.467 0.000 1.094 811 E CA -0.615 55.419 56.400 -0.610 0.000 0.881 811 E CB 0.242 29.725 29.700 -0.361 0.000 1.581 811 E HN -0.123 nan 8.360 nan 0.000 0.460 812 D N -0.355 119.764 120.400 -0.468 0.000 2.269 812 D HA 0.051 4.694 4.640 0.004 0.000 0.220 812 D C -0.571 175.761 176.300 0.052 0.000 0.962 812 D CA 0.918 54.837 54.000 -0.136 0.000 0.884 812 D CB 0.353 41.143 40.800 -0.016 0.000 1.023 812 D HN 0.341 nan 8.370 nan 0.000 0.484 813 D N -0.500 119.897 120.400 -0.006 0.000 2.696 813 D HA 0.231 4.874 4.640 0.004 0.000 0.251 813 D C 0.549 176.831 176.300 -0.030 0.000 1.188 813 D CA -0.578 53.418 54.000 -0.007 0.000 0.876 813 D CB 1.292 42.069 40.800 -0.037 0.000 1.334 813 D HN 0.034 nan 8.370 nan 0.000 0.540 814 C N 2.207 121.489 119.300 -0.030 0.000 5.963 814 C HA 0.556 5.018 4.460 0.004 0.000 0.291 814 C C 1.934 176.912 174.990 -0.021 0.000 1.257 814 C CA 0.835 59.837 59.018 -0.026 0.000 1.890 814 C CB -0.788 26.937 27.740 -0.026 0.000 2.034 814 C HN 0.838 nan 8.230 nan 0.000 0.415 815 G N -1.534 107.251 108.800 -0.026 0.000 4.616 815 G HA2 0.128 4.091 3.960 0.004 0.000 0.214 815 G HA3 0.128 4.091 3.960 0.004 0.000 0.214 815 G C 0.151 175.046 174.900 -0.008 0.000 0.653 815 G CA 0.618 45.708 45.100 -0.017 0.000 0.816 815 G HN 0.532 nan 8.290 nan 0.000 0.601 816 T N -0.139 114.406 114.554 -0.016 0.000 2.900 816 T HA 0.360 4.712 4.350 0.004 0.000 0.307 816 T C 1.190 175.899 174.700 0.016 0.000 1.065 816 T CA 0.283 62.386 62.100 0.003 0.000 1.105 816 T CB 1.034 69.895 68.868 -0.011 0.000 0.979 816 T HN 0.348 nan 8.240 nan 0.000 0.544 817 H N 2.037 121.083 119.070 -0.041 0.000 3.457 817 H HA 0.345 4.903 4.556 0.004 0.000 0.260 817 H C 1.412 176.714 175.328 -0.042 0.000 1.329 817 H CA 1.434 57.458 56.048 -0.040 0.000 1.671 817 H CB 0.423 30.166 29.762 -0.033 0.000 1.577 817 H HN 0.797 nan 8.280 nan 0.000 0.884 818 E N -1.862 118.406 120.200 0.112 0.000 2.655 818 E HA 0.143 4.495 4.350 0.004 0.000 0.212 818 E C 1.397 178.053 176.600 0.094 0.000 0.927 818 E CA 0.378 56.796 56.400 0.029 0.000 1.406 818 E CB 1.237 30.897 29.700 -0.067 0.000 1.385 818 E HN 0.583 nan 8.360 nan 0.000 0.748 819 G N 2.305 111.199 108.800 0.155 0.000 2.654 819 G HA2 -0.059 3.903 3.960 0.004 0.000 0.215 819 G HA3 -0.059 3.903 3.960 0.004 0.000 0.215 819 G C 0.786 175.694 174.900 0.013 0.000 1.310 819 G CA -0.219 44.917 45.100 0.060 0.000 0.866 819 G HN 0.178 nan 8.290 nan 0.000 0.558 820 I N 1.763 122.336 120.570 0.004 0.000 2.574 820 I HA 0.281 4.453 4.170 0.004 0.000 0.291 820 I C 0.011 176.118 176.117 -0.016 0.000 1.131 820 I CA 0.778 62.067 61.300 -0.018 0.000 1.352 820 I CB -0.384 37.605 38.000 -0.018 0.000 1.431 820 I HN 0.324 nan 8.210 nan 0.000 0.543 821 M N 6.520 126.102 119.600 -0.030 0.000 1.718 821 M HA 0.355 4.837 4.480 0.004 0.000 0.549 821 M C -1.107 175.173 176.300 -0.034 0.000 2.212 821 M CA -0.599 54.685 55.300 -0.027 0.000 0.689 821 M CB 0.916 33.503 32.600 -0.022 0.000 4.175 821 M HN 0.349 nan 8.290 nan 0.000 0.823 822 M N 2.178 121.760 119.600 -0.030 0.000 2.224 822 M HA 0.354 4.836 4.480 0.004 0.000 0.281 822 M C -1.489 174.798 176.300 -0.022 0.000 1.025 822 M CA -0.291 54.996 55.300 -0.021 0.000 0.954 822 M CB 1.377 33.973 32.600 -0.007 0.000 1.639 822 M HN 0.598 nan 8.290 nan 0.000 0.461 823 T N 2.610 117.150 114.554 -0.023 0.000 3.029 823 T HA 0.613 4.965 4.350 0.004 0.000 0.346 823 T C -2.683 172.021 174.700 0.007 0.000 1.211 823 T CA -1.677 60.415 62.100 -0.014 0.000 1.009 823 T CB -0.139 68.713 68.868 -0.026 0.000 1.084 823 T HN 0.378 nan 8.240 nan 0.000 0.536 824 P HA 0.149 nan 4.420 nan 0.000 0.263 824 P C 0.821 178.130 177.300 0.015 0.000 1.276 824 P CA -0.365 62.742 63.100 0.012 0.000 0.986 824 P CB -0.110 31.589 31.700 -0.002 0.000 1.105 825 V N 1.866 121.796 119.914 0.026 0.000 3.237 825 V HA 0.090 4.213 4.120 0.004 0.000 0.305 825 V C 1.261 177.368 176.094 0.022 0.000 1.096 825 V CA -0.044 62.270 62.300 0.025 0.000 1.130 825 V CB 0.417 32.260 31.823 0.034 0.000 1.048 825 V HN 0.396 nan 8.190 nan 0.000 0.484 826 I N -0.281 120.301 120.570 0.020 0.000 3.793 826 I HA 0.209 4.381 4.170 0.004 0.000 0.315 826 I C 0.558 176.688 176.117 0.021 0.000 1.275 826 I CA 0.146 61.457 61.300 0.018 0.000 1.214 826 I CB 0.086 38.095 38.000 0.015 0.000 1.018 826 I HN 0.823 nan 8.210 nan 0.000 0.439 827 E N 0.986 121.201 120.200 0.026 0.000 2.373 827 E HA 0.418 4.770 4.350 0.004 0.000 0.233 827 E C 0.097 176.720 176.600 0.037 0.000 1.035 827 E CA -0.223 56.195 56.400 0.031 0.000 0.930 827 E CB 0.947 30.667 29.700 0.033 0.000 1.278 827 E HN 0.363 nan 8.360 nan 0.000 0.452 828 G N -0.119 108.701 108.800 0.033 0.000 3.105 828 G HA2 0.760 4.722 3.960 0.004 0.000 0.277 828 G HA3 0.760 4.722 3.960 0.004 0.000 0.277 828 G C 0.205 175.122 174.900 0.027 0.000 1.375 828 G CA -0.288 44.834 45.100 0.036 0.000 0.962 828 G HN 0.605 nan 8.290 nan 0.000 0.541 829 G N -0.434 108.374 108.800 0.014 0.000 2.568 829 G HA2 -0.168 3.794 3.960 0.004 0.000 0.222 829 G HA3 -0.168 3.794 3.960 0.004 0.000 0.222 829 G C 0.469 175.376 174.900 0.012 0.000 1.321 829 G CA 0.662 45.758 45.100 -0.007 0.000 0.893 829 G HN 0.646 nan 8.290 nan 0.000 0.569 830 D N -0.387 120.018 120.400 0.009 0.000 2.097 830 D HA -0.012 4.630 4.640 0.004 0.000 0.195 830 D C 2.498 178.826 176.300 0.046 0.000 0.989 830 D CA 3.337 57.354 54.000 0.028 0.000 0.827 830 D CB -0.213 40.598 40.800 0.019 0.000 0.966 830 D HN 1.160 nan 8.370 nan 0.000 0.456 831 V N -3.820 116.117 119.914 0.039 0.000 3.177 831 V HA 0.362 4.484 4.120 0.004 0.000 0.220 831 V C 0.490 176.608 176.094 0.041 0.000 1.395 831 V CA -0.119 62.207 62.300 0.044 0.000 1.317 831 V CB 0.593 32.444 31.823 0.045 0.000 1.148 831 V HN 0.014 nan 8.190 nan 0.000 0.499 832 K N 0.934 121.354 120.400 0.033 0.000 2.788 832 K HA 0.291 4.613 4.320 0.004 0.000 0.247 832 K C -1.286 175.326 176.600 0.020 0.000 1.442 832 K CA 0.035 56.339 56.287 0.027 0.000 0.859 832 K CB 0.482 33.000 32.500 0.029 0.000 1.359 832 K HN 0.588 nan 8.250 nan 0.000 0.502 833 E N 2.909 123.118 120.200 0.016 0.000 3.108 833 E HA 0.228 4.580 4.350 0.004 0.000 0.228 833 E C -2.430 174.175 176.600 0.008 0.000 1.176 833 E CA -1.760 54.647 56.400 0.011 0.000 0.881 833 E CB 1.298 31.004 29.700 0.010 0.000 1.354 833 E HN 0.306 nan 8.360 nan 0.000 0.400 834 P HA 0.223 nan 4.420 nan 0.000 0.272 834 P C -1.009 176.294 177.300 0.005 0.000 1.254 834 P CA -0.552 62.552 63.100 0.007 0.000 0.795 834 P CB 0.588 32.292 31.700 0.008 0.000 1.022 835 L N -0.594 120.631 121.223 0.004 0.000 2.653 835 L HA 0.346 4.688 4.340 0.004 0.000 0.257 835 L C 0.762 177.634 176.870 0.003 0.000 0.969 835 L CA -0.486 54.356 54.840 0.004 0.000 0.869 835 L CB 1.667 43.729 42.059 0.004 0.000 1.439 835 L HN 0.266 nan 8.230 nan 0.000 0.414 836 R N 0.777 121.279 120.500 0.004 0.000 2.280 836 R HA -0.084 4.258 4.340 0.004 0.000 0.207 836 R C 0.817 177.115 176.300 -0.003 0.000 1.043 836 R CA 1.283 57.385 56.100 0.004 0.000 1.006 836 R CB 0.078 30.382 30.300 0.006 0.000 0.885 836 R HN 0.848 nan 8.270 nan 0.000 0.467 837 D N 1.295 121.693 120.400 -0.004 0.000 2.123 837 D HA -0.224 4.418 4.640 0.004 0.000 0.196 837 D C 1.932 178.221 176.300 -0.019 0.000 0.992 837 D CA 1.784 55.779 54.000 -0.008 0.000 0.833 837 D CB 0.065 40.864 40.800 -0.002 0.000 0.954 837 D HN 0.445 nan 8.370 nan 0.000 0.455 838 R N -0.104 120.384 120.500 -0.020 0.000 2.066 838 R HA -0.052 4.290 4.340 0.004 0.000 0.232 838 R C 2.148 178.424 176.300 -0.039 0.000 1.131 838 R CA 1.573 57.652 56.100 -0.035 0.000 0.955 838 R CB -0.839 29.445 30.300 -0.027 0.000 0.851 838 R HN 0.091 nan 8.270 nan 0.000 0.432 839 V N 1.831 121.732 119.914 -0.021 0.000 3.217 839 V HA -0.018 4.104 4.120 0.004 0.000 0.264 839 V C 1.030 177.115 176.094 -0.016 0.000 1.135 839 V CA 0.202 62.493 62.300 -0.015 0.000 1.142 839 V CB -0.606 31.220 31.823 0.006 0.000 0.754 839 V HN 0.218 nan 8.190 nan 0.000 0.484 840 L N 3.169 124.379 121.223 -0.022 0.000 2.678 840 L HA 0.458 4.801 4.340 0.004 0.000 0.276 840 L C 0.935 177.783 176.870 -0.036 0.000 1.142 840 L CA 1.143 55.967 54.840 -0.026 0.000 0.961 840 L CB -1.076 40.968 42.059 -0.025 0.000 1.291 840 L HN 0.371 nan 8.230 nan 0.000 0.476 841 G N 5.059 113.840 108.800 -0.032 0.000 2.738 841 G HA2 -0.168 3.794 3.960 0.004 0.000 0.262 841 G HA3 -0.168 3.794 3.960 0.004 0.000 0.262 841 G C -0.346 174.534 174.900 -0.035 0.000 1.032 841 G CA 0.072 45.154 45.100 -0.030 0.000 1.278 841 G HN 1.144 nan 8.290 nan 0.000 0.537 842 R N -0.359 120.120 120.500 -0.034 0.000 2.868 842 R HA 0.520 4.862 4.340 0.004 0.000 0.262 842 R C -0.691 175.591 176.300 -0.030 0.000 1.163 842 R CA -0.851 55.227 56.100 -0.035 0.000 1.105 842 R CB 0.899 31.165 30.300 -0.056 0.000 1.270 842 R HN 1.088 nan 8.270 nan 0.000 0.437 843 V N 3.053 122.956 119.914 -0.018 0.000 2.529 843 V HA 0.127 4.249 4.120 0.004 0.000 0.292 843 V C 0.469 176.551 176.094 -0.020 0.000 1.028 843 V CA 0.819 63.106 62.300 -0.021 0.000 1.074 843 V CB 1.346 33.182 31.823 0.021 0.000 0.958 843 V HN 0.878 nan 8.190 nan 0.000 0.481 844 T N 5.362 119.900 114.554 -0.026 0.000 2.802 844 T HA 0.522 4.874 4.350 0.004 0.000 0.305 844 T C 0.754 175.439 174.700 -0.026 0.000 1.053 844 T CA 0.316 62.405 62.100 -0.017 0.000 1.058 844 T CB 1.231 70.098 68.868 -0.002 0.000 0.988 844 T HN 1.119 nan 8.240 nan 0.000 0.539 845 A N 3.091 125.897 122.820 -0.024 0.000 2.453 845 A HA 0.428 4.751 4.320 0.004 0.000 0.225 845 A C 0.846 178.411 177.584 -0.031 0.000 2.127 845 A CA -0.130 51.885 52.037 -0.036 0.000 0.864 845 A CB -0.373 18.609 19.000 -0.030 0.000 1.440 845 A HN 0.764 nan 8.150 nan 0.000 0.566 846 E N 1.178 121.370 120.200 -0.012 0.000 2.409 846 E HA 0.148 4.500 4.350 0.004 0.000 0.257 846 E C -1.142 175.461 176.600 0.004 0.000 1.150 846 E CA -0.174 56.226 56.400 -0.000 0.000 0.942 846 E CB 0.335 30.042 29.700 0.012 0.000 0.979 846 E HN 0.359 nan 8.360 nan 0.000 0.447 847 D N 1.186 121.592 120.400 0.010 0.000 2.453 847 D HA 0.095 4.737 4.640 0.004 0.000 0.223 847 D C -0.839 175.472 176.300 0.019 0.000 1.183 847 D CA -0.387 53.622 54.000 0.016 0.000 0.933 847 D CB 0.003 40.812 40.800 0.016 0.000 1.038 847 D HN -0.039 nan 8.370 nan 0.000 0.513 848 V N 5.267 125.194 119.914 0.022 0.000 2.450 848 V HA -0.033 4.090 4.120 0.004 0.000 0.281 848 V C 1.044 177.152 176.094 0.023 0.000 1.019 848 V CA -0.266 62.047 62.300 0.022 0.000 1.062 848 V CB 0.780 32.618 31.823 0.025 0.000 0.979 848 V HN 0.489 nan 8.190 nan 0.000 0.477 849 L N 7.863 129.097 121.223 0.018 0.000 2.401 849 L HA 0.289 4.631 4.340 0.004 0.000 0.283 849 L C 0.783 177.662 176.870 0.016 0.000 1.151 849 L CA -0.279 54.571 54.840 0.017 0.000 0.942 849 L CB -0.093 41.974 42.059 0.014 0.000 1.283 849 L HN 0.714 nan 8.230 nan 0.000 0.442 850 K N 5.855 126.265 120.400 0.017 0.000 2.172 850 K HA 0.551 4.873 4.320 0.004 0.000 0.276 850 K C -2.507 174.098 176.600 0.009 0.000 1.013 850 K CA -1.820 54.476 56.287 0.014 0.000 0.913 850 K CB 0.559 33.069 32.500 0.016 0.000 1.055 850 K HN 0.252 nan 8.250 nan 0.000 0.461 851 P HA 0.114 nan 4.420 nan 0.000 0.267 851 P C 0.135 177.435 177.300 -0.000 0.000 1.200 851 P CA 0.308 63.410 63.100 0.003 0.000 0.772 851 P CB 0.742 32.444 31.700 0.002 0.000 0.855 852 G N -0.146 108.654 108.800 0.000 0.000 2.340 852 G HA2 0.104 4.066 3.960 0.004 0.000 0.282 852 G HA3 0.104 4.066 3.960 0.004 0.000 0.282 852 G C -0.670 174.229 174.900 -0.001 0.000 1.312 852 G CA -0.255 44.843 45.100 -0.003 0.000 0.942 852 G HN 0.688 nan 8.290 nan 0.000 0.495 853 T N -0.394 114.158 114.554 -0.003 0.000 2.698 853 T HA 0.629 4.982 4.350 0.004 0.000 0.295 853 T C 1.296 175.996 174.700 0.001 0.000 1.007 853 T CA 1.175 63.274 62.100 -0.001 0.000 0.980 853 T CB 0.155 69.021 68.868 -0.004 0.000 1.036 853 T HN 1.993 nan 8.240 nan 0.000 0.526 854 A N 1.332 124.153 122.820 0.002 0.000 2.448 854 A HA 0.394 4.716 4.320 0.004 0.000 0.239 854 A C 0.424 178.010 177.584 0.005 0.000 1.080 854 A CA -0.017 52.022 52.037 0.005 0.000 0.779 854 A CB -0.444 18.558 19.000 0.005 0.000 1.026 854 A HN 0.987 nan 8.150 nan 0.000 0.499 855 D N -0.893 119.513 120.400 0.009 0.000 2.699 855 D HA -0.147 4.496 4.640 0.004 0.000 0.239 855 D C 0.120 176.426 176.300 0.010 0.000 1.136 855 D CA 1.009 55.016 54.000 0.012 0.000 0.668 855 D CB -0.779 40.026 40.800 0.009 0.000 1.060 855 D HN 0.444 nan 8.370 nan 0.000 0.429 856 I N -0.680 119.897 120.570 0.012 0.000 4.471 856 I HA 0.051 4.224 4.170 0.004 0.000 0.326 856 I C 0.511 176.642 176.117 0.024 0.000 1.300 856 I CA 0.157 61.462 61.300 0.008 0.000 1.237 856 I CB 0.333 38.333 38.000 0.000 0.000 1.195 856 I HN -0.070 nan 8.210 nan 0.000 0.427 857 L N 0.959 122.201 121.223 0.031 0.000 2.499 857 L HA 0.005 4.347 4.340 0.004 0.000 0.281 857 L C 0.438 177.349 176.870 0.068 0.000 1.234 857 L CA 0.697 55.562 54.840 0.042 0.000 0.839 857 L CB -0.045 42.035 42.059 0.034 0.000 1.104 857 L HN -0.160 nan 8.230 nan 0.000 0.500 858 V N 4.206 124.169 119.914 0.082 0.000 2.465 858 V HA 0.431 4.553 4.120 0.004 0.000 0.279 858 V C -2.052 174.092 176.094 0.084 0.000 1.045 858 V CA -1.925 60.450 62.300 0.124 0.000 0.938 858 V CB 1.355 33.266 31.823 0.147 0.000 0.986 858 V HN 0.652 nan 8.190 nan 0.000 0.467 859 P HA 0.123 nan 4.420 nan 0.000 0.265 859 P C -0.094 177.212 177.300 0.010 0.000 1.187 859 P CA 0.054 63.178 63.100 0.040 0.000 0.766 859 P CB 0.177 31.898 31.700 0.036 0.000 0.820 860 R N 1.885 122.381 120.500 -0.006 0.000 2.423 860 R HA 0.153 4.495 4.340 0.004 0.000 0.248 860 R C 0.102 176.373 176.300 -0.047 0.000 1.019 860 R CA 0.205 56.290 56.100 -0.026 0.000 1.119 860 R CB -0.562 29.719 30.300 -0.032 0.000 1.176 860 R HN 0.422 nan 8.270 nan 0.000 0.526 861 N N 0.299 118.973 118.700 -0.044 0.000 2.635 861 N HA 0.006 4.748 4.740 0.004 0.000 0.252 861 N C -1.640 173.834 175.510 -0.060 0.000 1.589 861 N CA -0.073 52.945 53.050 -0.053 0.000 0.828 861 N CB 1.287 39.742 38.487 -0.053 0.000 1.403 861 N HN 0.163 nan 8.380 nan 0.000 0.518 862 T N 0.623 115.123 114.554 -0.090 0.000 2.900 862 T HA 0.390 4.742 4.350 0.004 0.000 0.303 862 T C -0.094 174.480 174.700 -0.210 0.000 1.142 862 T CA -0.773 61.224 62.100 -0.171 0.000 1.007 862 T CB 0.938 69.653 68.868 -0.255 0.000 1.156 862 T HN 0.175 nan 8.240 nan 0.000 0.490 863 L N 2.013 123.076 121.223 -0.267 0.000 2.464 863 L HA 0.592 4.934 4.340 0.004 0.000 0.224 863 L C -0.366 176.302 176.870 -0.338 0.000 1.219 863 L CA -0.703 53.996 54.840 -0.235 0.000 0.831 863 L CB -0.556 41.392 42.059 -0.184 0.000 1.284 863 L HN 0.512 nan 8.230 nan 0.000 0.522 864 L N 0.667 121.769 121.223 -0.202 0.000 2.404 864 L HA 0.420 4.762 4.340 0.004 0.000 0.272 864 L C -0.923 175.939 176.870 -0.013 0.000 0.980 864 L CA -0.242 54.524 54.840 -0.122 0.000 0.836 864 L CB 1.274 43.314 42.059 -0.032 0.000 1.238 864 L HN 0.860 nan 8.230 nan 0.000 0.408 865 H N 1.850 120.909 119.070 -0.019 0.000 2.559 865 H HA 0.294 4.852 4.556 0.004 0.000 0.343 865 H C 0.646 176.095 175.328 0.201 0.000 1.209 865 H CA -0.142 55.986 56.048 0.134 0.000 1.287 865 H CB 1.595 31.521 29.762 0.275 0.000 1.650 865 H HN 0.606 nan 8.280 nan 0.000 0.567 866 E N 0.417 120.433 120.200 -0.306 0.000 2.160 866 E HA -0.186 4.166 4.350 0.004 0.000 0.195 866 E C 1.579 178.268 176.600 0.147 0.000 0.991 866 E CA 1.541 57.894 56.400 -0.079 0.000 0.810 866 E CB 0.082 29.674 29.700 -0.178 0.000 0.742 866 E HN 0.618 nan 8.360 nan 0.000 0.466 867 Q N -1.578 118.447 119.800 0.375 0.000 2.212 867 Q HA -0.057 4.285 4.340 0.004 0.000 0.199 867 Q C 1.545 177.639 176.000 0.156 0.000 0.950 867 Q CA 0.672 56.615 55.803 0.233 0.000 0.863 867 Q CB -0.086 28.773 28.738 0.203 0.000 0.944 867 Q HN 0.384 nan 8.270 nan 0.000 0.465 868 W N -0.042 121.331 121.300 0.122 0.000 2.402 868 W HA -0.138 4.525 4.660 0.004 0.000 0.286 868 W C 2.320 178.865 176.519 0.044 0.000 1.221 868 W CA 0.311 57.700 57.345 0.073 0.000 1.257 868 W CB -0.588 28.922 29.460 0.084 0.000 1.120 868 W HN 0.227 nan 8.180 nan 0.000 0.551 869 C N 0.411 119.860 119.300 0.248 0.000 2.467 869 C HA -0.118 4.344 4.460 0.004 0.000 0.279 869 C C 2.089 177.127 174.990 0.081 0.000 1.347 869 C CA 1.169 60.269 59.018 0.137 0.000 1.748 869 C CB -1.187 26.608 27.740 0.092 0.000 1.977 869 C HN 0.146 nan 8.230 nan 0.000 0.501 870 D N 0.745 121.186 120.400 0.068 0.000 2.263 870 D HA -0.100 4.542 4.640 0.004 0.000 0.208 870 D C 1.770 178.077 176.300 0.012 0.000 0.971 870 D CA 0.806 54.824 54.000 0.031 0.000 0.867 870 D CB -0.383 40.430 40.800 0.022 0.000 0.929 870 D HN 0.465 nan 8.370 nan 0.000 0.492 871 L N -0.008 121.221 121.223 0.010 0.000 2.270 871 L HA 0.067 4.409 4.340 0.004 0.000 0.210 871 L C 1.846 178.724 176.870 0.012 0.000 1.104 871 L CA 0.988 55.822 54.840 -0.011 0.000 0.804 871 L CB -0.167 41.863 42.059 -0.049 0.000 0.937 871 L HN -0.028 nan 8.230 nan 0.000 0.450 872 L N -0.135 121.112 121.223 0.040 0.000 2.023 872 L HA -0.106 4.237 4.340 0.004 0.000 0.205 872 L C 1.449 178.333 176.870 0.024 0.000 1.073 872 L CA 1.159 56.023 54.840 0.041 0.000 0.745 872 L CB -0.657 41.439 42.059 0.060 0.000 0.900 872 L HN 0.357 nan 8.230 nan 0.000 0.435 873 E N 0.459 120.672 120.200 0.022 0.000 2.545 873 E HA -0.066 4.287 4.350 0.004 0.000 0.271 873 E C 0.758 177.361 176.600 0.004 0.000 1.508 873 E CA 0.061 56.469 56.400 0.013 0.000 1.774 873 E CB 0.116 29.824 29.700 0.014 0.000 1.460 873 E HN 0.524 nan 8.360 nan 0.000 0.449 874 E N 0.843 121.042 120.200 -0.001 0.000 2.502 874 E HA 0.017 4.370 4.350 0.004 0.000 0.206 874 E C 1.183 177.773 176.600 -0.017 0.000 0.821 874 E CA 0.154 56.547 56.400 -0.012 0.000 1.354 874 E CB 0.339 30.028 29.700 -0.018 0.000 1.336 874 E HN 0.336 nan 8.360 nan 0.000 0.675 875 N N -0.941 117.752 118.700 -0.012 0.000 2.380 875 N HA 0.071 4.813 4.740 0.004 0.000 0.227 875 N C 1.214 176.722 175.510 -0.005 0.000 1.139 875 N CA 0.464 53.505 53.050 -0.014 0.000 0.843 875 N CB 0.551 39.027 38.487 -0.018 0.000 1.327 875 N HN -0.090 nan 8.380 nan 0.000 0.470 876 S N 0.806 116.507 115.700 0.002 0.000 2.380 876 S HA -0.091 4.381 4.470 0.004 0.000 0.217 876 S C 1.209 175.813 174.600 0.007 0.000 1.036 876 S CA 1.651 59.855 58.200 0.007 0.000 1.050 876 S CB -0.303 62.905 63.200 0.014 0.000 1.016 876 S HN 0.273 nan 8.310 nan 0.000 0.419 877 V N 1.532 121.451 119.914 0.008 0.000 4.112 877 V HA -0.236 3.886 4.120 0.004 0.000 0.233 877 V C -0.243 175.857 176.094 0.010 0.000 0.458 877 V CA 1.306 63.611 62.300 0.008 0.000 0.909 877 V CB -2.269 29.557 31.823 0.005 0.000 0.963 877 V HN 0.409 nan 8.190 nan 0.000 1.260 878 D N -0.779 119.628 120.400 0.011 0.000 2.720 878 D HA 0.803 5.445 4.640 0.004 0.000 0.232 878 D C 0.418 176.725 176.300 0.012 0.000 1.173 878 D CA 0.279 54.286 54.000 0.012 0.000 1.082 878 D CB 0.923 41.729 40.800 0.010 0.000 1.235 878 D HN 0.418 nan 8.370 nan 0.000 0.636 879 A N 0.135 122.960 122.820 0.010 0.000 2.331 879 A HA 0.538 4.860 4.320 0.004 0.000 0.283 879 A C -0.568 177.021 177.584 0.007 0.000 1.142 879 A CA -0.324 51.718 52.037 0.008 0.000 0.812 879 A CB 0.404 19.406 19.000 0.003 0.000 1.074 879 A HN 0.204 nan 8.150 nan 0.000 0.497 880 V N 3.823 123.742 119.914 0.007 0.000 2.376 880 V HA 0.214 4.336 4.120 0.004 0.000 0.287 880 V C -0.383 175.712 176.094 0.001 0.000 1.015 880 V CA -0.814 61.491 62.300 0.008 0.000 0.834 880 V CB 1.183 33.014 31.823 0.013 0.000 1.001 880 V HN 0.880 nan 8.190 nan 0.000 0.428 881 K N 3.400 123.800 120.400 -0.001 0.000 2.383 881 K HA 0.505 4.828 4.320 0.004 0.000 0.286 881 K C -0.551 176.044 176.600 -0.009 0.000 1.051 881 K CA 0.287 56.570 56.287 -0.007 0.000 0.974 881 K CB 1.195 33.692 32.500 -0.006 0.000 0.968 881 K HN 0.461 nan 8.250 nan 0.000 0.475 882 V N 3.565 123.470 119.914 -0.015 0.000 2.969 882 V HA 0.353 4.476 4.120 0.004 0.000 0.304 882 V C -1.158 174.920 176.094 -0.026 0.000 1.192 882 V CA -1.041 61.247 62.300 -0.020 0.000 0.962 882 V CB 1.771 33.583 31.823 -0.019 0.000 1.045 882 V HN 0.774 nan 8.190 nan 0.000 0.428 883 R N 3.898 124.383 120.500 -0.025 0.000 2.404 883 R HA 0.398 4.740 4.340 0.004 0.000 0.315 883 R C 0.437 176.713 176.300 -0.039 0.000 1.032 883 R CA 0.450 56.535 56.100 -0.025 0.000 0.992 883 R CB 0.531 30.825 30.300 -0.010 0.000 0.959 883 R HN 0.896 nan 8.270 nan 0.000 0.428 884 S N 0.893 116.564 115.700 -0.048 0.000 2.768 884 S HA 0.295 4.767 4.470 0.004 0.000 0.300 884 S C 1.109 175.663 174.600 -0.076 0.000 1.122 884 S CA -1.037 57.117 58.200 -0.078 0.000 0.995 884 S CB 1.290 64.448 63.200 -0.070 0.000 1.195 884 S HN 0.215 nan 8.310 nan 0.000 0.547 885 V N 0.819 120.666 119.914 -0.110 0.000 2.446 885 V HA -0.054 4.068 4.120 0.004 0.000 0.244 885 V C 2.422 178.483 176.094 -0.055 0.000 1.039 885 V CA 1.474 63.724 62.300 -0.083 0.000 1.045 885 V CB -0.628 31.121 31.823 -0.124 0.000 0.681 885 V HN 0.848 nan 8.190 nan 0.000 0.459 886 V N -2.560 117.319 119.914 -0.058 0.000 3.510 886 V HA 0.070 4.192 4.120 0.004 0.000 0.270 886 V C 1.426 177.501 176.094 -0.033 0.000 1.201 886 V CA 1.446 63.719 62.300 -0.044 0.000 1.166 886 V CB -0.307 31.492 31.823 -0.039 0.000 0.825 886 V HN 0.411 nan 8.190 nan 0.000 0.484 887 S N -0.547 115.133 115.700 -0.033 0.000 2.575 887 S HA 0.263 4.735 4.470 0.004 0.000 0.237 887 S C 0.615 175.197 174.600 -0.030 0.000 0.975 887 S CA -0.037 58.147 58.200 -0.026 0.000 0.960 887 S CB -0.204 62.982 63.200 -0.023 0.000 0.822 887 S HN 0.726 nan 8.310 nan 0.000 0.472 888 C N 2.797 122.076 119.300 -0.035 0.000 2.601 888 C HA 0.317 4.779 4.460 0.004 0.000 0.409 888 C C -0.193 174.767 174.990 -0.049 0.000 1.293 888 C CA -0.348 58.649 59.018 -0.035 0.000 2.101 888 C CB -0.280 27.442 27.740 -0.030 0.000 2.639 888 C HN 0.356 nan 8.230 nan 0.000 0.592 889 D N 3.650 124.022 120.400 -0.046 0.000 2.930 889 D HA 0.305 4.948 4.640 0.004 0.000 0.304 889 D C 0.101 176.364 176.300 -0.061 0.000 1.298 889 D CA 0.433 54.396 54.000 -0.061 0.000 0.949 889 D CB 0.834 41.604 40.800 -0.050 0.000 1.013 889 D HN 0.671 nan 8.370 nan 0.000 0.510 890 T N -0.760 113.755 114.554 -0.065 0.000 2.812 890 T HA 0.243 4.596 4.350 0.004 0.000 0.294 890 T C -1.666 172.998 174.700 -0.061 0.000 1.159 890 T CA -0.647 61.426 62.100 -0.044 0.000 1.008 890 T CB 1.943 70.803 68.868 -0.012 0.000 1.289 890 T HN -0.145 nan 8.240 nan 0.000 0.514 891 D N 1.298 121.699 120.400 0.001 0.000 2.428 891 D HA 0.441 5.084 4.640 0.004 0.000 0.221 891 D C -0.784 175.634 176.300 0.197 0.000 1.123 891 D CA -0.076 53.945 54.000 0.035 0.000 0.869 891 D CB -0.868 40.020 40.800 0.147 0.000 1.032 891 D HN 0.531 nan 8.370 nan 0.000 0.506 892 F N 1.695 121.666 119.950 0.036 0.000 2.146 892 F HA 0.021 4.551 4.527 0.004 0.000 0.375 892 F C 0.857 176.685 175.800 0.047 0.000 1.135 892 F CA 1.188 59.216 58.000 0.047 0.000 1.259 892 F CB -1.041 37.999 39.000 0.066 0.000 1.902 892 F HN 0.656 nan 8.300 nan 0.000 0.753 893 G N 0.339 109.220 108.800 0.134 0.000 2.339 893 G HA2 0.461 4.423 3.960 0.004 0.000 0.381 893 G HA3 0.461 4.423 3.960 0.004 0.000 0.381 893 G C -1.872 173.037 174.900 0.015 0.000 1.400 893 G CA -0.550 44.592 45.100 0.070 0.000 1.002 893 G HN 0.932 nan 8.290 nan 0.000 0.633 894 V N 0.448 120.356 119.914 -0.010 0.000 2.569 894 V HA 0.497 4.619 4.120 0.004 0.000 0.301 894 V C 1.225 177.299 176.094 -0.032 0.000 1.044 894 V CA -0.398 61.899 62.300 -0.004 0.000 0.874 894 V CB 0.942 32.790 31.823 0.042 0.000 1.002 894 V HN 1.773 nan 8.190 nan 0.000 0.424 895 C N 3.080 122.364 119.300 -0.028 0.000 2.832 895 C HA 0.638 5.100 4.460 0.004 0.000 0.299 895 C C 2.089 177.059 174.990 -0.035 0.000 1.440 895 C CA 0.458 59.448 59.018 -0.047 0.000 2.191 895 C CB 0.132 27.870 27.740 -0.003 0.000 2.243 895 C HN 1.075 nan 8.230 nan 0.000 0.720 896 A N -0.666 122.108 122.820 -0.077 0.000 1.975 896 A HA 0.048 4.371 4.320 0.004 0.000 0.215 896 A C 1.887 179.396 177.584 -0.125 0.000 1.170 896 A CA 1.457 53.409 52.037 -0.142 0.000 0.656 896 A CB -1.125 17.734 19.000 -0.236 0.000 0.821 896 A HN 1.006 nan 8.150 nan 0.000 0.449 897 H N -1.288 117.771 119.070 -0.018 0.000 2.357 897 H HA -0.091 4.467 4.556 0.004 0.000 0.301 897 H C 2.048 177.373 175.328 -0.006 0.000 1.082 897 H CA 1.807 57.845 56.048 -0.016 0.000 1.342 897 H CB -0.335 29.407 29.762 -0.034 0.000 1.389 897 H HN 0.489 nan 8.280 nan 0.000 0.511 898 C N 0.135 119.505 119.300 0.117 0.000 2.422 898 C HA -0.099 4.363 4.460 0.004 0.000 0.286 898 C C 2.087 177.096 174.990 0.031 0.000 1.412 898 C CA 0.501 59.550 59.018 0.052 0.000 1.786 898 C CB -1.022 26.736 27.740 0.029 0.000 1.835 898 C HN 0.507 nan 8.230 nan 0.000 0.533 899 Y N 0.863 121.127 120.300 -0.060 0.000 2.618 899 Y HA 0.510 5.062 4.550 0.004 0.000 0.236 899 Y C 1.593 177.440 175.900 -0.088 0.000 0.993 899 Y CA 1.873 59.920 58.100 -0.088 0.000 1.043 899 Y CB -0.468 37.924 38.460 -0.113 0.000 1.041 899 Y HN 0.270 nan 8.280 nan 0.000 0.468 900 G N -0.762 108.221 108.800 0.306 0.000 2.534 900 G HA2 0.131 4.093 3.960 0.004 0.000 0.142 900 G HA3 0.131 4.093 3.960 0.004 0.000 0.142 900 G C -1.195 173.768 174.900 0.105 0.000 1.178 900 G CA -0.907 44.271 45.100 0.130 0.000 1.037 900 G HN 0.178 nan 8.290 nan 0.000 0.474 901 R N 0.370 120.908 120.500 0.063 0.000 2.822 901 R HA 0.313 4.656 4.340 0.004 0.000 0.277 901 R C 0.695 176.968 176.300 -0.046 0.000 1.102 901 R CA 0.145 56.241 56.100 -0.007 0.000 1.207 901 R CB 0.559 30.852 30.300 -0.012 0.000 1.139 901 R HN 0.614 nan 8.270 nan 0.000 0.557 902 D N -0.444 119.871 120.400 -0.143 0.000 2.338 902 D HA 0.019 4.662 4.640 0.004 0.000 0.208 902 D C 0.802 177.042 176.300 -0.100 0.000 0.997 902 D CA 0.232 54.112 54.000 -0.200 0.000 0.880 902 D CB 0.370 40.954 40.800 -0.359 0.000 0.980 902 D HN 0.358 nan 8.370 nan 0.000 0.509 903 L N -0.625 120.566 121.223 -0.054 0.000 4.081 903 L HA -0.352 3.990 4.340 0.004 0.000 0.374 903 L C 1.891 178.747 176.870 -0.022 0.000 0.713 903 L CA 1.695 56.533 54.840 -0.004 0.000 2.809 903 L CB -1.884 40.217 42.059 0.070 0.000 0.820 903 L HN 0.117 nan 8.230 nan 0.000 0.697 904 A N -1.223 121.571 122.820 -0.043 0.000 1.969 904 A HA 0.011 4.334 4.320 0.004 0.000 0.218 904 A C 1.871 179.438 177.584 -0.028 0.000 1.169 904 A CA 2.040 54.049 52.037 -0.047 0.000 0.635 904 A CB -0.118 18.854 19.000 -0.047 0.000 0.810 904 A HN 0.569 nan 8.150 nan 0.000 0.445 905 R N -3.155 117.352 120.500 0.012 0.000 2.720 905 R HA 0.497 4.839 4.340 0.004 0.000 0.100 905 R C 0.522 176.996 176.300 0.291 0.000 1.008 905 R CA 0.110 56.357 56.100 0.244 0.000 0.823 905 R CB 0.130 30.603 30.300 0.289 0.000 0.714 905 R HN 0.212 nan 8.270 nan 0.000 0.365 906 G N 0.916 109.868 108.800 0.254 0.000 5.252 906 G HA2 0.272 4.234 3.960 0.004 0.000 0.214 906 G HA3 0.272 4.234 3.960 0.004 0.000 0.214 906 G C -0.981 174.016 174.900 0.162 0.000 0.817 906 G CA -0.210 45.000 45.100 0.183 0.000 0.715 906 G HN 0.644 nan 8.290 nan 0.000 0.480 907 H N -1.888 117.206 119.070 0.039 0.000 2.928 907 H HA 0.642 5.201 4.556 0.004 0.000 0.285 907 H C -0.887 174.432 175.328 -0.016 0.000 1.438 907 H CA -1.219 54.831 56.048 0.003 0.000 1.176 907 H CB 0.792 30.544 29.762 -0.017 0.000 1.864 907 H HN -0.020 nan 8.280 nan 0.000 0.567 908 I N 1.835 122.460 120.570 0.092 0.000 2.696 908 I HA 0.123 4.295 4.170 0.004 0.000 0.284 908 I C 0.311 176.399 176.117 -0.049 0.000 1.129 908 I CA -0.239 61.051 61.300 -0.017 0.000 1.410 908 I CB 0.216 38.196 38.000 -0.033 0.000 1.399 908 I HN 0.589 nan 8.210 nan 0.000 0.579 909 I N 7.131 127.615 120.570 -0.144 0.000 2.741 909 I HA -0.131 4.042 4.170 0.004 0.000 0.288 909 I C 0.980 177.035 176.117 -0.103 0.000 1.192 909 I CA 0.577 61.765 61.300 -0.186 0.000 1.426 909 I CB -0.149 37.666 38.000 -0.308 0.000 1.367 909 I HN 0.603 nan 8.210 nan 0.000 0.563 910 N N 4.951 123.622 118.700 -0.048 0.000 2.493 910 N HA 0.067 4.809 4.740 0.004 0.000 0.275 910 N C -0.095 175.377 175.510 -0.064 0.000 1.186 910 N CA -0.833 52.210 53.050 -0.011 0.000 0.978 910 N CB 0.875 39.391 38.487 0.048 0.000 1.184 910 N HN 0.333 nan 8.380 nan 0.000 0.487 911 K N 1.376 121.760 120.400 -0.027 0.000 2.361 911 K HA 0.127 4.449 4.320 0.004 0.000 0.283 911 K C 0.417 176.971 176.600 -0.078 0.000 1.078 911 K CA 0.890 57.155 56.287 -0.036 0.000 1.041 911 K CB -0.455 32.117 32.500 0.119 0.000 0.932 911 K HN 0.705 nan 8.250 nan 0.000 0.462 912 G N 3.322 112.039 108.800 -0.139 0.000 2.672 912 G HA2 -0.149 3.813 3.960 0.004 0.000 0.197 912 G HA3 -0.149 3.813 3.960 0.004 0.000 0.197 912 G C -0.741 174.080 174.900 -0.131 0.000 0.995 912 G CA -0.595 44.420 45.100 -0.142 0.000 0.754 912 G HN 0.519 nan 8.290 nan 0.000 0.505 913 E N 1.435 121.548 120.200 -0.145 0.000 2.292 913 E HA 0.423 4.775 4.350 0.004 0.000 0.265 913 E C 0.680 177.191 176.600 -0.148 0.000 1.093 913 E CA 0.571 56.882 56.400 -0.149 0.000 0.922 913 E CB 1.095 30.674 29.700 -0.200 0.000 1.001 913 E HN 0.625 nan 8.360 nan 0.000 0.444 914 A N 5.660 128.422 122.820 -0.097 0.000 2.981 914 A HA 0.035 4.357 4.320 0.004 0.000 0.280 914 A C 1.329 178.879 177.584 -0.057 0.000 1.743 914 A CA -0.337 51.661 52.037 -0.065 0.000 1.430 914 A CB -0.778 18.207 19.000 -0.026 0.000 1.085 914 A HN 0.585 nan 8.150 nan 0.000 0.597 915 I N -0.230 120.283 120.570 -0.095 0.000 3.456 915 I HA 0.038 4.210 4.170 0.004 0.000 0.291 915 I C 0.962 177.099 176.117 0.034 0.000 1.307 915 I CA 1.450 62.707 61.300 -0.072 0.000 1.333 915 I CB -1.232 36.657 38.000 -0.186 0.000 1.032 915 I HN 0.357 nan 8.210 nan 0.000 0.506 916 G N 0.551 109.368 108.800 0.029 0.000 2.921 916 G HA2 0.228 4.190 3.960 0.004 0.000 0.213 916 G HA3 0.228 4.190 3.960 0.004 0.000 0.213 916 G C 1.315 176.248 174.900 0.055 0.000 1.143 916 G CA 0.498 45.631 45.100 0.054 0.000 0.764 916 G HN 0.330 nan 8.290 nan 0.000 0.542 917 V N 0.481 120.421 119.914 0.043 0.000 2.908 917 V HA 0.235 4.357 4.120 0.004 0.000 0.240 917 V C 2.224 178.343 176.094 0.042 0.000 1.117 917 V CA 0.298 62.621 62.300 0.039 0.000 1.133 917 V CB 0.067 31.907 31.823 0.027 0.000 0.857 917 V HN 0.327 nan 8.190 nan 0.000 0.478 918 I N 1.013 121.610 120.570 0.045 0.000 2.493 918 I HA -0.138 4.034 4.170 0.004 0.000 0.254 918 I C 2.308 178.480 176.117 0.092 0.000 1.160 918 I CA 1.408 62.740 61.300 0.053 0.000 1.445 918 I CB -0.067 37.960 38.000 0.046 0.000 1.086 918 I HN 0.289 nan 8.210 nan 0.000 0.433 919 A N 0.422 123.344 122.820 0.170 0.000 2.066 919 A HA 0.041 4.364 4.320 0.004 0.000 0.218 919 A C 2.338 179.981 177.584 0.099 0.000 1.157 919 A CA 1.274 53.472 52.037 0.269 0.000 0.670 919 A CB -0.568 18.622 19.000 0.317 0.000 0.804 919 A HN 0.542 nan 8.150 nan 0.000 0.453 920 A N -0.751 122.109 122.820 0.067 0.000 1.975 920 A HA -0.038 4.284 4.320 0.004 0.000 0.215 920 A C 2.032 179.614 177.584 -0.004 0.000 1.170 920 A CA 1.200 53.258 52.037 0.035 0.000 0.656 920 A CB -0.271 18.750 19.000 0.034 0.000 0.821 920 A HN 0.588 nan 8.150 nan 0.000 0.449 921 Q N 0.110 119.908 119.800 -0.003 0.000 2.302 921 Q HA -0.060 4.283 4.340 0.004 0.000 0.202 921 Q C 2.197 178.178 176.000 -0.032 0.000 0.936 921 Q CA 1.208 57.007 55.803 -0.007 0.000 0.886 921 Q CB -0.083 28.663 28.738 0.014 0.000 0.986 921 Q HN 0.791 nan 8.270 nan 0.000 0.487 922 S N 0.424 116.069 115.700 -0.091 0.000 2.447 922 S HA -0.070 4.402 4.470 0.004 0.000 0.233 922 S C 1.668 176.140 174.600 -0.213 0.000 1.006 922 S CA 0.634 58.718 58.200 -0.193 0.000 0.957 922 S CB -0.005 62.943 63.200 -0.419 0.000 0.773 922 S HN 0.394 nan 8.310 nan 0.000 0.507 923 I N 0.523 120.985 120.570 -0.179 0.000 4.082 923 I HA 0.334 4.506 4.170 0.004 0.000 0.337 923 I C 1.766 177.819 176.117 -0.106 0.000 1.352 923 I CA 0.264 61.426 61.300 -0.230 0.000 1.097 923 I CB 0.094 37.948 38.000 -0.244 0.000 1.048 923 I HN 0.419 nan 8.210 nan 0.000 0.393 924 G N 0.830 109.600 108.800 -0.050 0.000 2.595 924 G HA2 -0.139 3.824 3.960 0.004 0.000 0.213 924 G HA3 -0.139 3.824 3.960 0.004 0.000 0.213 924 G C 1.262 176.176 174.900 0.023 0.000 1.141 924 G CA 0.657 45.753 45.100 -0.007 0.000 0.806 924 G HN 0.514 nan 8.290 nan 0.000 0.530 925 E N 1.183 121.401 120.200 0.029 0.000 2.158 925 E HA 0.018 4.370 4.350 0.004 0.000 0.191 925 E C -0.430 176.215 176.600 0.075 0.000 0.982 925 E CA 0.568 57.008 56.400 0.068 0.000 0.823 925 E CB -1.152 28.646 29.700 0.164 0.000 0.766 925 E HN 0.288 nan 8.360 nan 0.000 0.468 926 P HA 0.055 nan 4.420 nan 0.000 0.230 926 P C 1.348 178.727 177.300 0.132 0.000 1.158 926 P CA 1.449 64.609 63.100 0.101 0.000 0.769 926 P CB -0.082 31.689 31.700 0.118 0.000 0.807 927 G N -0.437 108.440 108.800 0.128 0.000 2.535 927 G HA2 -0.171 3.791 3.960 0.004 0.000 0.218 927 G HA3 -0.171 3.791 3.960 0.004 0.000 0.218 927 G C 0.979 175.911 174.900 0.054 0.000 1.122 927 G CA 0.802 45.961 45.100 0.100 0.000 0.769 927 G HN 0.224 nan 8.290 nan 0.000 0.549 928 T N 0.103 114.689 114.554 0.053 0.000 3.272 928 T HA 0.171 4.523 4.350 0.004 0.000 0.250 928 T C 1.399 176.119 174.700 0.034 0.000 1.082 928 T CA 0.356 62.478 62.100 0.037 0.000 0.968 928 T CB 0.080 68.970 68.868 0.036 0.000 1.015 928 T HN 0.433 nan 8.240 nan 0.000 0.563 929 Q N -0.442 119.379 119.800 0.036 0.000 2.073 929 Q HA 0.315 4.657 4.340 0.004 0.000 0.215 929 Q C -0.275 175.732 176.000 0.012 0.000 0.776 929 Q CA -0.186 55.634 55.803 0.028 0.000 1.008 929 Q CB 0.667 29.428 28.738 0.038 0.000 1.196 929 Q HN 0.279 nan 8.270 nan 0.000 0.458 930 L N 0.001 121.223 121.223 -0.001 0.000 2.783 930 L HA 0.345 4.687 4.340 0.004 0.000 0.205 930 L C 0.260 177.113 176.870 -0.027 0.000 1.985 930 L CA 0.446 55.265 54.840 -0.036 0.000 2.546 930 L CB -0.185 41.821 42.059 -0.087 0.000 2.829 930 L HN 0.279 nan 8.230 nan 0.000 0.614 931 T N -1.060 113.466 114.554 -0.046 0.000 2.713 931 T HA -0.203 4.150 4.350 0.004 0.000 0.482 931 T C -0.415 174.278 174.700 -0.012 0.000 0.789 931 T CA 0.232 62.309 62.100 -0.038 0.000 2.526 931 T CB -1.810 67.038 68.868 -0.033 0.000 1.658 931 T HN 0.261 nan 8.240 nan 0.000 0.523 932 M N 2.307 121.901 119.600 -0.010 0.000 2.762 932 M HA 0.808 5.290 4.480 0.004 0.000 0.306 932 M C 1.291 177.614 176.300 0.038 0.000 1.223 932 M CA -0.881 54.433 55.300 0.023 0.000 0.896 932 M CB 1.103 33.712 32.600 0.016 0.000 1.684 932 M HN 0.500 nan 8.290 nan 0.000 0.491 933 R N -0.052 120.505 120.500 0.094 0.000 3.950 933 R HA -0.230 4.112 4.340 0.004 0.000 0.351 933 R C 0.295 176.670 176.300 0.124 0.000 0.245 933 R CA 2.448 58.632 56.100 0.140 0.000 1.155 933 R CB -3.012 27.335 30.300 0.078 0.000 0.980 933 R HN 1.395 nan 8.270 nan 0.000 0.569 934 T N -2.263 112.285 114.554 -0.010 0.000 3.882 934 T HA -0.209 4.143 4.350 0.004 0.000 0.366 934 T C 0.231 174.667 174.700 -0.440 0.000 0.760 934 T CA 1.785 63.769 62.100 -0.194 0.000 1.931 934 T CB -2.043 66.655 68.868 -0.282 0.000 1.807 934 T HN 0.418 nan 8.240 nan 0.000 0.790 935 F N -0.181 119.797 119.950 0.048 0.000 3.205 935 F HA 0.673 5.201 4.527 0.002 0.000 0.336 935 F C 0.411 176.298 175.800 0.145 0.000 1.255 935 F CA -0.751 57.291 58.000 0.070 0.000 0.998 935 F CB 1.111 40.086 39.000 -0.042 0.000 1.531 935 F HN 0.550 nan 8.300 nan 0.000 0.521 936 H N 1.250 120.484 119.070 0.273 0.000 3.277 936 H HA 0.356 4.915 4.556 0.004 0.000 0.329 936 H C -0.424 174.965 175.328 0.103 0.000 1.034 936 H CA -0.491 55.641 56.048 0.140 0.000 1.530 936 H CB 0.328 30.150 29.762 0.101 0.000 1.837 936 H HN 0.686 nan 8.280 nan 0.000 0.493 937 I N -0.123 120.492 120.570 0.075 0.000 2.867 937 I HA 0.414 4.586 4.170 0.004 0.000 0.265 937 I C 1.044 177.202 176.117 0.069 0.000 1.162 937 I CA 0.805 62.118 61.300 0.022 0.000 1.471 937 I CB 0.530 38.544 38.000 0.023 0.000 1.123 937 I HN 0.605 nan 8.210 nan 0.000 0.440 938 G N 0.395 109.260 108.800 0.108 0.000 4.657 938 G HA2 0.375 4.337 3.960 0.004 0.000 0.213 938 G HA3 0.375 4.337 3.960 0.004 0.000 0.213 938 G C 0.532 175.493 174.900 0.103 0.000 0.912 938 G CA 0.061 45.222 45.100 0.102 0.000 0.815 938 G HN 0.796 nan 8.290 nan 0.000 0.384 939 G N 0.032 108.905 108.800 0.122 0.000 2.858 939 G HA2 0.380 4.343 3.960 0.004 0.000 0.266 939 G HA3 0.380 4.343 3.960 0.004 0.000 0.266 939 G C 0.210 175.163 174.900 0.088 0.000 1.023 939 G CA -0.019 45.142 45.100 0.100 0.000 1.172 939 G HN 1.703 nan 8.290 nan 0.000 0.523 940 A N 1.365 124.240 122.820 0.091 0.000 2.409 940 A HA 0.853 5.175 4.320 0.004 0.000 0.267 940 A C 1.316 178.946 177.584 0.076 0.000 1.127 940 A CA 0.844 52.929 52.037 0.080 0.000 0.795 940 A CB 0.966 20.013 19.000 0.078 0.000 1.061 940 A HN 2.249 nan 8.150 nan 0.000 0.502 941 A N 2.323 125.188 122.820 0.075 0.000 2.055 941 A HA 0.504 4.827 4.320 0.004 0.000 0.205 941 A C 1.236 178.866 177.584 0.077 0.000 1.235 941 A CA 1.266 53.352 52.037 0.082 0.000 0.822 941 A CB 0.102 19.149 19.000 0.080 0.000 0.903 941 A HN 0.707 nan 8.150 nan 0.000 0.473 942 S N -1.900 113.839 115.700 0.065 0.000 3.144 942 S HA 0.565 5.037 4.470 0.004 0.000 0.325 942 S C 0.304 174.935 174.600 0.053 0.000 1.161 942 S CA -0.721 57.514 58.200 0.058 0.000 0.920 942 S CB 0.875 64.106 63.200 0.052 0.000 1.340 942 S HN 0.422 nan 8.310 nan 0.000 0.681 943 R N 0.131 120.660 120.500 0.048 0.000 2.188 943 R HA 0.836 5.178 4.340 0.004 0.000 0.118 943 R C -0.522 175.804 176.300 0.043 0.000 1.695 943 R CA -0.327 55.799 56.100 0.044 0.000 1.482 943 R CB -0.117 30.207 30.300 0.040 0.000 1.232 943 R HN 0.623 nan 8.270 nan 0.000 0.459 944 A N -0.049 122.796 122.820 0.041 0.000 2.556 944 A HA 0.838 5.160 4.320 0.004 0.000 0.294 944 A C -1.690 175.920 177.584 0.044 0.000 1.091 944 A CA -0.318 51.743 52.037 0.041 0.000 0.704 944 A CB 2.070 21.093 19.000 0.038 0.000 1.300 944 A HN 0.594 nan 8.150 nan 0.000 0.406 945 A N -0.561 122.286 122.820 0.045 0.000 2.610 945 A HA 1.059 5.381 4.320 0.004 0.000 0.291 945 A C -0.320 177.295 177.584 0.052 0.000 1.086 945 A CA 0.229 52.298 52.037 0.053 0.000 0.677 945 A CB 0.796 19.831 19.000 0.058 0.000 1.278 945 A HN 2.738 nan 8.150 nan 0.000 0.414 946 A N -0.388 122.471 122.820 0.065 0.000 4.642 946 A HA 0.848 5.170 4.320 0.004 0.000 0.248 946 A C -1.429 176.208 177.584 0.087 0.000 0.987 946 A CA 0.177 52.249 52.037 0.059 0.000 0.622 946 A CB 0.095 19.124 19.000 0.048 0.000 1.769 946 A HN 1.649 nan 8.150 nan 0.000 0.864 947 E N -0.656 119.587 120.200 0.071 0.000 6.993 947 E HA -0.126 4.227 4.350 0.004 0.000 0.276 947 E C 0.266 176.907 176.600 0.069 0.000 1.113 947 E CA 0.892 57.345 56.400 0.088 0.000 1.400 947 E CB -1.283 28.518 29.700 0.168 0.000 0.936 947 E HN 0.820 nan 8.360 nan 0.000 0.285 948 S N 0.827 116.473 115.700 -0.091 0.000 2.506 948 S HA 0.117 4.589 4.470 0.004 0.000 0.230 948 S C 0.672 174.803 174.600 -0.781 0.000 1.066 948 S CA 0.965 58.983 58.200 -0.304 0.000 0.940 948 S CB 0.511 63.574 63.200 -0.230 0.000 0.818 948 S HN 0.432 nan 8.310 nan 0.000 0.518 949 S N 0.801 116.186 115.700 -0.525 0.000 2.536 949 S HA 0.677 5.150 4.470 0.004 0.000 0.287 949 S C -0.604 173.820 174.600 -0.294 0.000 1.101 949 S CA -0.975 56.870 58.200 -0.593 0.000 0.950 949 S CB 1.053 64.013 63.200 -0.400 0.000 1.056 949 S HN 0.471 nan 8.310 nan 0.000 0.481 950 I N 2.142 122.573 120.570 -0.232 0.000 2.577 950 I HA 0.747 4.919 4.170 0.004 0.000 0.305 950 I C -0.720 175.258 176.117 -0.232 0.000 0.986 950 I CA -0.746 60.427 61.300 -0.213 0.000 1.189 950 I CB 1.568 39.399 38.000 -0.283 0.000 1.355 950 I HN 0.776 nan 8.210 nan 0.000 0.476 951 Q N 3.456 123.100 119.800 -0.260 0.000 2.418 951 Q HA 0.642 4.985 4.340 0.004 0.000 0.282 951 Q C -2.004 173.920 176.000 -0.126 0.000 1.044 951 Q CA -1.056 54.652 55.803 -0.159 0.000 0.813 951 Q CB 2.484 31.170 28.738 -0.087 0.000 1.428 951 Q HN 0.565 nan 8.270 nan 0.000 0.402 952 V N 2.622 122.498 119.914 -0.064 0.000 2.407 952 V HA 0.191 4.313 4.120 0.004 0.000 0.278 952 V C 0.085 176.195 176.094 0.027 0.000 1.037 952 V CA -0.488 61.817 62.300 0.008 0.000 0.900 952 V CB 1.256 33.088 31.823 0.015 0.000 0.983 952 V HN 0.772 nan 8.190 nan 0.000 0.459 953 K N 2.385 122.819 120.400 0.056 0.000 2.262 953 K HA 0.161 4.483 4.320 0.004 0.000 0.200 953 K C 0.720 177.343 176.600 0.038 0.000 1.049 953 K CA 0.475 56.788 56.287 0.044 0.000 0.979 953 K CB -0.043 32.489 32.500 0.054 0.000 0.773 953 K HN 0.573 nan 8.250 nan 0.000 0.474 954 N N 0.442 119.170 118.700 0.048 0.000 2.620 954 N HA 0.271 5.014 4.740 0.004 0.000 0.307 954 N C -0.623 174.907 175.510 0.033 0.000 1.316 954 N CA -0.360 52.715 53.050 0.041 0.000 0.931 954 N CB 0.473 38.990 38.487 0.049 0.000 1.116 954 N HN -0.190 nan 8.380 nan 0.000 0.573 955 K N -0.936 119.483 120.400 0.032 0.000 2.375 955 K HA 0.739 5.062 4.320 0.004 0.000 0.249 955 K C -0.230 176.386 176.600 0.027 0.000 0.942 955 K CA -0.907 55.395 56.287 0.024 0.000 0.806 955 K CB 2.239 34.750 32.500 0.018 0.000 1.227 955 K HN 0.693 nan 8.250 nan 0.000 0.430 956 G N 0.279 109.091 108.800 0.021 0.000 2.566 956 G HA2 0.211 4.173 3.960 0.004 0.000 0.138 956 G HA3 0.211 4.173 3.960 0.004 0.000 0.138 956 G C -1.549 173.360 174.900 0.015 0.000 1.133 956 G CA -0.360 44.752 45.100 0.021 0.000 1.037 956 G HN 0.645 nan 8.290 nan 0.000 0.491 957 S N -0.827 114.884 115.700 0.018 0.000 2.546 957 S HA 0.725 5.198 4.470 0.004 0.000 0.274 957 S C -0.750 173.860 174.600 0.017 0.000 1.121 957 S CA -0.739 57.468 58.200 0.012 0.000 0.887 957 S CB 1.777 64.981 63.200 0.007 0.000 1.094 957 S HN 0.786 nan 8.310 nan 0.000 0.474 958 I N 2.522 123.099 120.570 0.012 0.000 2.396 958 I HA 0.387 4.559 4.170 0.004 0.000 0.289 958 I C 0.281 176.405 176.117 0.011 0.000 1.056 958 I CA -0.161 61.147 61.300 0.014 0.000 1.365 958 I CB 0.667 38.670 38.000 0.006 0.000 1.407 958 I HN 0.473 nan 8.210 nan 0.000 0.509 959 K N 8.156 128.566 120.400 0.016 0.000 2.443 959 K HA 0.588 4.910 4.320 0.004 0.000 0.252 959 K C -1.619 174.987 176.600 0.009 0.000 0.933 959 K CA -0.603 55.691 56.287 0.012 0.000 0.792 959 K CB 1.902 34.411 32.500 0.016 0.000 1.185 959 K HN 0.543 nan 8.250 nan 0.000 0.425 960 L N 1.503 122.726 121.223 0.000 0.000 2.346 960 L HA 0.448 4.790 4.340 0.004 0.000 0.274 960 L C 0.101 176.966 176.870 -0.009 0.000 1.007 960 L CA -0.917 53.918 54.840 -0.008 0.000 0.818 960 L CB 2.012 44.060 42.059 -0.018 0.000 1.284 960 L HN 0.537 nan 8.230 nan 0.000 0.424 961 S N 2.176 117.868 115.700 -0.014 0.000 2.498 961 S HA 0.371 4.843 4.470 0.004 0.000 0.317 961 S C -0.205 174.384 174.600 -0.019 0.000 1.090 961 S CA -0.471 57.722 58.200 -0.011 0.000 1.089 961 S CB 0.189 63.386 63.200 -0.005 0.000 0.997 961 S HN 0.800 nan 8.310 nan 0.000 0.470 962 N N 1.345 120.037 118.700 -0.013 0.000 2.671 962 N HA -0.154 4.589 4.740 0.004 0.000 0.261 962 N C -0.979 174.516 175.510 -0.026 0.000 1.053 962 N CA 0.425 53.467 53.050 -0.013 0.000 0.732 962 N CB -0.833 37.649 38.487 -0.008 0.000 0.887 962 N HN 0.381 nan 8.380 nan 0.000 0.546 963 V N 0.545 120.442 119.914 -0.027 0.000 2.680 963 V HA 0.547 4.669 4.120 0.004 0.000 0.309 963 V C -0.522 175.552 176.094 -0.034 0.000 1.052 963 V CA -0.549 61.727 62.300 -0.039 0.000 0.908 963 V CB 2.019 33.816 31.823 -0.044 0.000 1.001 963 V HN 0.154 nan 8.190 nan 0.000 0.431 964 K N 4.567 124.942 120.400 -0.041 0.000 2.592 964 K HA 0.403 4.726 4.320 0.004 0.000 0.212 964 K C -0.631 175.937 176.600 -0.053 0.000 1.013 964 K CA -0.093 56.171 56.287 -0.037 0.000 1.034 964 K CB 1.138 33.623 32.500 -0.025 0.000 1.292 964 K HN 0.870 nan 8.250 nan 0.000 0.521 965 S N 1.576 117.245 115.700 -0.051 0.000 2.451 965 S HA 0.714 5.186 4.470 0.004 0.000 0.301 965 S C 0.350 174.921 174.600 -0.048 0.000 1.116 965 S CA -0.610 57.555 58.200 -0.059 0.000 1.093 965 S CB 1.618 64.784 63.200 -0.056 0.000 1.017 965 S HN 0.232 nan 8.310 nan 0.000 0.482 966 V N 0.007 119.889 119.914 -0.053 0.000 3.119 966 V HA 0.776 4.898 4.120 0.004 0.000 0.309 966 V C -0.670 175.398 176.094 -0.043 0.000 1.304 966 V CA -1.055 61.219 62.300 -0.044 0.000 1.057 966 V CB 1.028 32.824 31.823 -0.044 0.000 1.150 966 V HN 0.664 nan 8.190 nan 0.000 0.474 967 V N 2.554 122.445 119.914 -0.038 0.000 2.350 967 V HA 0.436 4.559 4.120 0.004 0.000 0.276 967 V C 0.018 176.090 176.094 -0.038 0.000 1.028 967 V CA -0.211 62.068 62.300 -0.035 0.000 0.860 967 V CB 0.484 32.290 31.823 -0.028 0.000 0.990 967 V HN 0.907 nan 8.190 nan 0.000 0.453 968 N N 3.175 121.852 118.700 -0.039 0.000 2.530 968 N HA 0.155 4.897 4.740 0.004 0.000 0.277 968 N C 1.257 176.750 175.510 -0.028 0.000 1.168 968 N CA 0.161 53.188 53.050 -0.039 0.000 0.979 968 N CB 1.694 40.156 38.487 -0.042 0.000 1.141 968 N HN 0.512 nan 8.380 nan 0.000 0.459 969 S N 0.543 116.227 115.700 -0.027 0.000 2.419 969 S HA -0.161 4.312 4.470 0.004 0.000 0.233 969 S C 1.805 176.398 174.600 -0.012 0.000 1.016 969 S CA 1.406 59.596 58.200 -0.018 0.000 0.974 969 S CB -0.338 62.853 63.200 -0.016 0.000 0.786 969 S HN 0.796 nan 8.310 nan 0.000 0.492 970 S N 0.715 116.407 115.700 -0.013 0.000 2.383 970 S HA 0.198 4.671 4.470 0.004 0.000 0.227 970 S C 1.618 176.213 174.600 -0.009 0.000 1.026 970 S CA 1.004 59.199 58.200 -0.008 0.000 0.981 970 S CB -0.434 62.762 63.200 -0.007 0.000 0.818 970 S HN 0.842 nan 8.310 nan 0.000 0.472 971 G N -0.120 108.672 108.800 -0.013 0.000 2.148 971 G HA2 -0.091 3.871 3.960 0.004 0.000 0.157 971 G HA3 -0.091 3.871 3.960 0.004 0.000 0.157 971 G C -0.318 174.574 174.900 -0.014 0.000 1.012 971 G CA -0.261 44.831 45.100 -0.013 0.000 0.677 971 G HN 0.550 nan 8.290 nan 0.000 0.506 972 K N -0.441 119.948 120.400 -0.018 0.000 2.208 972 K HA 0.752 5.074 4.320 0.004 0.000 0.247 972 K C -0.057 176.526 176.600 -0.029 0.000 0.953 972 K CA -1.052 55.224 56.287 -0.018 0.000 0.837 972 K CB 1.793 34.285 32.500 -0.013 0.000 1.131 972 K HN 0.126 nan 8.250 nan 0.000 0.431 973 L N 3.849 125.055 121.223 -0.028 0.000 2.391 973 L HA 0.161 4.504 4.340 0.004 0.000 0.249 973 L C -0.309 176.525 176.870 -0.060 0.000 1.308 973 L CA -0.287 54.529 54.840 -0.039 0.000 1.209 973 L CB -0.810 41.231 42.059 -0.030 0.000 1.401 973 L HN 0.506 nan 8.230 nan 0.000 0.416 974 V N 1.696 121.562 119.914 -0.080 0.000 3.697 974 V HA 0.354 4.476 4.120 0.004 0.000 0.285 974 V C 0.363 176.357 176.094 -0.167 0.000 1.041 974 V CA -0.589 61.632 62.300 -0.132 0.000 1.045 974 V CB 0.914 32.652 31.823 -0.141 0.000 1.227 974 V HN 0.528 nan 8.190 nan 0.000 0.448 975 I N -1.067 119.340 120.570 -0.272 0.000 2.686 975 I HA 0.435 4.608 4.170 0.004 0.000 0.295 975 I C 0.696 176.621 176.117 -0.320 0.000 1.114 975 I CA -0.277 60.859 61.300 -0.273 0.000 1.038 975 I CB 2.388 40.213 38.000 -0.292 0.000 1.238 975 I HN 0.835 nan 8.210 nan 0.000 0.420 976 T N 2.847 117.309 114.554 -0.152 0.000 3.033 976 T HA 0.124 4.477 4.350 0.004 0.000 0.248 976 T C 0.837 175.571 174.700 0.056 0.000 1.040 976 T CA 0.155 62.232 62.100 -0.039 0.000 1.133 976 T CB 0.040 68.897 68.868 -0.018 0.000 0.895 976 T HN 0.570 nan 8.240 nan 0.000 0.465 977 S N 1.210 116.909 115.700 -0.001 0.000 2.589 977 S HA 0.303 4.775 4.470 0.004 0.000 0.265 977 S C 0.828 175.461 174.600 0.056 0.000 1.342 977 S CA -0.276 57.935 58.200 0.018 0.000 1.005 977 S CB 0.614 63.799 63.200 -0.025 0.000 0.909 977 S HN 0.312 nan 8.310 nan 0.000 0.555 978 R N 0.574 121.090 120.500 0.026 0.000 2.616 978 R HA 0.199 4.541 4.340 0.004 0.000 0.427 978 R C -0.084 176.098 176.300 -0.196 0.000 1.030 978 R CA -0.026 56.077 56.100 0.004 0.000 1.133 978 R CB -0.179 30.144 30.300 0.038 0.000 1.444 978 R HN 0.823 nan 8.270 nan 0.000 0.578 979 N N -1.036 117.546 118.700 -0.195 0.000 2.547 979 N HA 0.015 4.758 4.740 0.004 0.000 0.285 979 N C -0.449 174.938 175.510 -0.206 0.000 1.600 979 N CA -0.314 52.567 53.050 -0.281 0.000 0.872 979 N CB 1.113 39.546 38.487 -0.090 0.000 1.412 979 N HN -0.188 nan 8.380 nan 0.000 0.489 980 T N 1.176 115.606 114.554 -0.207 0.000 2.816 980 T HA 0.214 4.567 4.350 0.004 0.000 0.282 980 T C -0.676 173.940 174.700 -0.139 0.000 0.993 980 T CA -0.001 62.014 62.100 -0.142 0.000 0.994 980 T CB 0.873 69.663 68.868 -0.130 0.000 1.025 980 T HN 0.531 nan 8.240 nan 0.000 0.529 981 E N 2.176 122.330 120.200 -0.077 0.000 2.354 981 E HA 0.374 4.726 4.350 0.004 0.000 0.283 981 E C -1.603 175.005 176.600 0.013 0.000 0.938 981 E CA -1.002 55.378 56.400 -0.034 0.000 0.777 981 E CB 0.956 30.642 29.700 -0.023 0.000 1.222 981 E HN 0.367 nan 8.360 nan 0.000 0.423 982 L N 4.134 125.399 121.223 0.069 0.000 2.297 982 L HA 0.392 4.734 4.340 0.004 0.000 0.277 982 L C -0.970 176.014 176.870 0.190 0.000 1.040 982 L CA -0.272 54.628 54.840 0.101 0.000 0.867 982 L CB 0.251 42.357 42.059 0.077 0.000 1.244 982 L HN 0.724 nan 8.230 nan 0.000 0.433 983 K N 4.749 125.222 120.400 0.122 0.000 2.400 983 K HA 0.476 4.799 4.320 0.004 0.000 0.246 983 K C -1.578 175.079 176.600 0.095 0.000 0.995 983 K CA -0.899 55.463 56.287 0.126 0.000 0.840 983 K CB 2.691 35.235 32.500 0.073 0.000 1.293 983 K HN 0.523 nan 8.250 nan 0.000 0.445 984 L N 2.147 123.427 121.223 0.096 0.000 2.282 984 L HA 0.378 4.720 4.340 0.004 0.000 0.288 984 L C -0.730 176.175 176.870 0.059 0.000 1.033 984 L CA -1.021 53.864 54.840 0.073 0.000 0.807 984 L CB 0.748 42.856 42.059 0.082 0.000 1.209 984 L HN 0.496 nan 8.230 nan 0.000 0.423 985 I N 4.227 124.825 120.570 0.048 0.000 2.301 985 I HA 0.198 4.371 4.170 0.004 0.000 0.292 985 I C 0.296 176.442 176.117 0.048 0.000 1.046 985 I CA -0.119 61.208 61.300 0.045 0.000 1.282 985 I CB 0.731 38.751 38.000 0.033 0.000 1.409 985 I HN 0.603 nan 8.210 nan 0.000 0.484 986 D N 4.415 124.858 120.400 0.071 0.000 2.414 986 D HA 0.074 4.716 4.640 0.004 0.000 0.251 986 D C 1.217 177.548 176.300 0.052 0.000 1.252 986 D CA -0.069 53.984 54.000 0.088 0.000 0.999 986 D CB 1.041 41.936 40.800 0.158 0.000 1.093 986 D HN 0.476 nan 8.370 nan 0.000 0.515 987 E N -0.449 119.751 120.200 -0.000 0.000 2.265 987 E HA -0.147 4.205 4.350 0.004 0.000 0.196 987 E C 1.337 177.760 176.600 -0.295 0.000 0.996 987 E CA 0.770 57.055 56.400 -0.192 0.000 0.832 987 E CB -0.103 29.391 29.700 -0.344 0.000 0.756 987 E HN 0.436 nan 8.360 nan 0.000 0.491 988 F N -0.490 119.463 119.950 0.006 0.000 2.727 988 F HA 0.256 4.786 4.527 0.004 0.000 0.302 988 F C 1.534 177.338 175.800 0.006 0.000 1.097 988 F CA 0.374 58.378 58.000 0.005 0.000 1.330 988 F CB 0.791 39.794 39.000 0.005 0.000 1.084 988 F HN 0.001 nan 8.300 nan 0.000 0.578 989 G N 1.471 110.355 108.800 0.140 0.000 2.147 989 G HA2 -0.323 3.639 3.960 0.004 0.000 0.244 989 G HA3 -0.323 3.639 3.960 0.004 0.000 0.244 989 G C 0.272 175.228 174.900 0.093 0.000 1.005 989 G CA -0.104 45.049 45.100 0.089 0.000 0.713 989 G HN 0.413 nan 8.290 nan 0.000 0.515 990 R N 0.302 120.872 120.500 0.117 0.000 2.407 990 R HA 0.537 4.880 4.340 0.004 0.000 0.303 990 R C -0.029 176.308 176.300 0.062 0.000 0.981 990 R CA -0.324 55.824 56.100 0.079 0.000 0.905 990 R CB 0.661 31.003 30.300 0.069 0.000 1.099 990 R HN 0.071 nan 8.270 nan 0.000 0.459 991 T N 4.257 118.836 114.554 0.041 0.000 2.799 991 T HA 0.011 4.364 4.350 0.004 0.000 0.296 991 T C 0.836 175.552 174.700 0.027 0.000 0.947 991 T CA -0.020 62.101 62.100 0.034 0.000 1.141 991 T CB 1.030 69.911 68.868 0.022 0.000 0.891 991 T HN 0.502 nan 8.240 nan 0.000 0.533 992 K N 3.162 123.583 120.400 0.036 0.000 2.128 992 K HA 0.055 4.377 4.320 0.004 0.000 0.202 992 K C 0.684 177.288 176.600 0.007 0.000 1.050 992 K CA 0.811 57.115 56.287 0.028 0.000 0.966 992 K CB 0.421 32.949 32.500 0.046 0.000 0.759 992 K HN 0.855 nan 8.250 nan 0.000 0.454 993 E N -1.128 119.077 120.200 0.008 0.000 2.383 993 E HA 0.514 4.866 4.350 0.004 0.000 0.275 993 E C -1.254 175.289 176.600 -0.094 0.000 0.918 993 E CA -0.969 55.392 56.400 -0.065 0.000 0.764 993 E CB 1.948 31.629 29.700 -0.033 0.000 1.252 993 E HN -0.100 nan 8.360 nan 0.000 0.449 994 S N 0.797 116.337 115.700 -0.266 0.000 2.542 994 S HA 0.625 5.097 4.470 0.004 0.000 0.293 994 S C -1.461 172.876 174.600 -0.438 0.000 1.089 994 S CA -0.541 57.542 58.200 -0.194 0.000 0.961 994 S CB 0.675 63.817 63.200 -0.098 0.000 1.062 994 S HN 0.489 nan 8.310 nan 0.000 0.483 995 Y N 0.319 120.630 120.300 0.018 0.000 2.705 995 Y HA 0.586 5.139 4.550 0.004 0.000 0.332 995 Y C -0.315 175.578 175.900 -0.012 0.000 1.157 995 Y CA -1.187 56.928 58.100 0.026 0.000 1.091 995 Y CB 1.191 39.684 38.460 0.055 0.000 1.301 995 Y HN 0.253 nan 8.280 nan 0.000 0.488 996 K N 1.455 121.954 120.400 0.166 0.000 2.463 996 K HA 0.538 4.860 4.320 0.004 0.000 0.255 996 K C -1.590 174.919 176.600 -0.152 0.000 0.942 996 K CA -0.629 55.653 56.287 -0.008 0.000 0.814 996 K CB 2.100 34.603 32.500 0.005 0.000 1.122 996 K HN 0.392 nan 8.250 nan 0.000 0.425 997 V N 5.193 124.943 119.914 -0.273 0.000 2.333 997 V HA 0.237 4.359 4.120 0.004 0.000 0.274 997 V C -1.932 173.839 176.094 -0.539 0.000 1.028 997 V CA -1.787 60.202 62.300 -0.519 0.000 0.851 997 V CB 1.023 32.638 31.823 -0.346 0.000 1.000 997 V HN 0.562 nan 8.190 nan 0.000 0.456 998 P HA 0.050 nan 4.420 nan 0.000 0.270 998 P C -0.648 176.464 177.300 -0.314 0.000 1.227 998 P CA -0.168 62.645 63.100 -0.479 0.000 0.788 998 P CB 0.364 31.684 31.700 -0.632 0.000 0.926 999 Y N 0.626 120.783 120.300 -0.239 0.000 2.397 999 Y HA 0.343 4.895 4.550 0.004 0.000 0.335 999 Y C 1.485 177.305 175.900 -0.134 0.000 1.213 999 Y CA 1.168 59.165 58.100 -0.172 0.000 1.391 999 Y CB 0.073 38.459 38.460 -0.123 0.000 1.293 999 Y HN 0.737 nan 8.280 nan 0.000 0.557 1000 G N 3.243 111.596 108.800 -0.744 0.000 2.272 1000 G HA2 -0.056 3.906 3.960 0.004 0.000 0.280 1000 G HA3 -0.056 3.906 3.960 0.004 0.000 0.280 1000 G C -0.378 174.409 174.900 -0.189 0.000 1.067 1000 G CA 0.141 44.986 45.100 -0.426 0.000 0.902 1000 G HN 1.104 nan 8.290 nan 0.000 0.500 1001 A N -0.978 121.716 122.820 -0.209 0.000 2.325 1001 A HA 0.872 5.195 4.320 0.004 0.000 0.333 1001 A C 0.253 177.820 177.584 -0.027 0.000 1.155 1001 A CA -0.009 51.995 52.037 -0.055 0.000 0.814 1001 A CB 2.189 21.110 19.000 -0.132 0.000 1.206 1001 A HN 1.705 nan 8.150 nan 0.000 0.482 1002 V N 3.629 123.579 119.914 0.059 0.000 2.394 1002 V HA 0.590 4.712 4.120 0.004 0.000 0.282 1002 V C -1.054 175.069 176.094 0.049 0.000 1.031 1002 V CA -0.531 61.786 62.300 0.029 0.000 0.881 1002 V CB 0.798 32.637 31.823 0.027 0.000 0.982 1002 V HN 0.709 nan 8.190 nan 0.000 0.451 1003 L N 6.255 127.487 121.223 0.015 0.000 2.325 1003 L HA 0.648 4.990 4.340 0.004 0.000 0.279 1003 L C 1.199 178.072 176.870 0.006 0.000 1.054 1003 L CA 0.813 55.663 54.840 0.018 0.000 0.804 1003 L CB 1.396 43.455 42.059 -0.001 0.000 1.200 1003 L HN 0.741 nan 8.230 nan 0.000 0.436 1004 A N 2.658 125.482 122.820 0.006 0.000 1.935 1004 A HA 0.118 4.441 4.320 0.004 0.000 0.214 1004 A C 0.740 178.320 177.584 -0.008 0.000 1.178 1004 A CA 0.957 52.992 52.037 -0.004 0.000 0.640 1004 A CB -0.013 18.982 19.000 -0.009 0.000 0.825 1004 A HN 0.649 nan 8.150 nan 0.000 0.447 1005 K N -0.963 119.433 120.400 -0.007 0.000 2.375 1005 K HA 0.520 4.843 4.320 0.004 0.000 0.249 1005 K C 0.246 176.841 176.600 -0.009 0.000 0.942 1005 K CA -0.288 55.994 56.287 -0.009 0.000 0.806 1005 K CB 1.970 34.464 32.500 -0.009 0.000 1.227 1005 K HN 0.205 nan 8.250 nan 0.000 0.430 1006 G N 0.209 109.003 108.800 -0.011 0.000 2.494 1006 G HA2 0.017 3.979 3.960 0.004 0.000 0.270 1006 G HA3 0.017 3.979 3.960 0.004 0.000 0.270 1006 G C -0.829 174.065 174.900 -0.010 0.000 1.423 1006 G CA -0.113 44.980 45.100 -0.012 0.000 1.055 1006 G HN 0.580 nan 8.290 nan 0.000 0.536 1007 D N -1.000 119.393 120.400 -0.010 0.000 2.316 1007 D HA 0.454 5.096 4.640 0.004 0.000 0.245 1007 D C 0.921 177.217 176.300 -0.006 0.000 1.171 1007 D CA 0.935 54.931 54.000 -0.007 0.000 0.856 1007 D CB 0.429 41.224 40.800 -0.008 0.000 1.090 1007 D HN 0.904 nan 8.370 nan 0.000 0.476 1008 G N 3.223 112.021 108.800 -0.004 0.000 2.183 1008 G HA2 -0.167 3.795 3.960 0.004 0.000 0.168 1008 G HA3 -0.167 3.795 3.960 0.004 0.000 0.168 1008 G C -0.072 174.826 174.900 -0.004 0.000 1.008 1008 G CA -0.544 44.554 45.100 -0.004 0.000 0.677 1008 G HN 0.467 nan 8.290 nan 0.000 0.498 1009 E N 0.891 121.088 120.200 -0.004 0.000 2.249 1009 E HA 0.411 4.764 4.350 0.004 0.000 0.280 1009 E C 0.214 176.812 176.600 -0.002 0.000 1.016 1009 E CA -0.214 56.184 56.400 -0.004 0.000 0.830 1009 E CB 1.103 30.800 29.700 -0.006 0.000 1.081 1009 E HN 0.562 nan 8.360 nan 0.000 0.395 1010 Q N 1.053 120.851 119.800 -0.003 0.000 2.257 1010 Q HA 0.435 4.777 4.340 0.004 0.000 0.255 1010 Q C 0.095 176.093 176.000 -0.002 0.000 0.920 1010 Q CA -0.651 55.151 55.803 -0.002 0.000 0.927 1010 Q CB 1.799 30.535 28.738 -0.003 0.000 1.229 1010 Q HN 0.405 nan 8.270 nan 0.000 0.433 1011 V N -1.656 118.258 119.914 0.000 0.000 3.181 1011 V HA 1.011 5.134 4.120 0.004 0.000 0.314 1011 V C -0.646 175.449 176.094 0.002 0.000 1.173 1011 V CA -0.752 61.547 62.300 -0.001 0.000 1.052 1011 V CB 1.464 33.285 31.823 -0.003 0.000 1.123 1011 V HN 0.850 nan 8.190 nan 0.000 0.454 1012 A N -0.147 122.673 122.820 0.000 0.000 2.726 1012 A HA 0.971 5.293 4.320 0.004 0.000 0.248 1012 A C 0.353 177.940 177.584 0.005 0.000 1.249 1012 A CA -0.438 51.601 52.037 0.003 0.000 0.846 1012 A CB 0.710 19.710 19.000 0.000 0.000 1.391 1012 A HN 2.021 nan 8.150 nan 0.000 0.497 1013 G N -1.179 107.625 108.800 0.007 0.000 2.370 1013 G HA2 0.551 4.514 3.960 0.004 0.000 0.272 1013 G HA3 0.551 4.514 3.960 0.004 0.000 0.272 1013 G C 0.783 175.685 174.900 0.003 0.000 1.208 1013 G CA 0.503 45.608 45.100 0.009 0.000 0.856 1013 G HN 2.248 nan 8.290 nan 0.000 0.500 1014 G N 0.565 109.366 108.800 0.002 0.000 2.385 1014 G HA2 -0.108 3.854 3.960 0.004 0.000 0.294 1014 G HA3 -0.108 3.854 3.960 0.004 0.000 0.294 1014 G C -0.128 174.763 174.900 -0.014 0.000 1.070 1014 G CA 0.568 45.665 45.100 -0.005 0.000 1.172 1014 G HN 0.982 nan 8.290 nan 0.000 0.516 1015 E N 0.111 120.299 120.200 -0.020 0.000 2.321 1015 E HA 0.482 4.834 4.350 0.004 0.000 0.281 1015 E C 0.024 176.599 176.600 -0.041 0.000 0.910 1015 E CA -0.678 55.706 56.400 -0.027 0.000 0.770 1015 E CB 1.159 30.847 29.700 -0.020 0.000 1.225 1015 E HN 0.134 nan 8.360 nan 0.000 0.417 1016 T N 2.606 117.130 114.554 -0.049 0.000 2.870 1016 T HA 0.135 4.488 4.350 0.004 0.000 0.300 1016 T C 1.010 175.678 174.700 -0.053 0.000 0.989 1016 T CA -0.013 62.048 62.100 -0.065 0.000 1.139 1016 T CB 1.009 69.834 68.868 -0.072 0.000 0.920 1016 T HN 0.436 nan 8.240 nan 0.000 0.537 1017 V N -0.085 119.794 119.914 -0.059 0.000 3.612 1017 V HA 0.772 4.894 4.120 0.004 0.000 0.268 1017 V C 0.425 176.510 176.094 -0.015 0.000 1.365 1017 V CA 0.183 62.461 62.300 -0.036 0.000 1.044 1017 V CB -0.434 31.365 31.823 -0.040 0.000 0.820 1017 V HN 0.945 nan 8.190 nan 0.000 0.444 1018 A N 0.556 123.368 122.820 -0.013 0.000 2.574 1018 A HA 0.741 5.063 4.320 0.004 0.000 0.297 1018 A C -1.158 176.421 177.584 -0.009 0.000 1.062 1018 A CA -0.341 51.729 52.037 0.055 0.000 0.686 1018 A CB 1.508 20.611 19.000 0.171 0.000 1.285 1018 A HN 0.329 nan 8.150 nan 0.000 0.403 1019 N N 1.301 120.015 118.700 0.022 0.000 2.655 1019 N HA 0.415 5.158 4.740 0.004 0.000 0.277 1019 N C -0.988 174.513 175.510 -0.015 0.000 1.177 1019 N CA -0.430 52.523 53.050 -0.161 0.000 0.882 1019 N CB 1.051 39.447 38.487 -0.153 0.000 1.481 1019 N HN 0.761 nan 8.380 nan 0.000 0.547 1020 W N 2.297 123.587 121.300 -0.017 0.000 2.848 1020 W HA 0.635 5.297 4.660 0.004 0.000 0.396 1020 W C -0.645 175.887 176.519 0.022 0.000 1.553 1020 W CA -0.596 56.744 57.345 -0.008 0.000 1.488 1020 W CB 0.247 29.697 29.460 -0.017 0.000 1.732 1020 W HN 0.168 nan 8.180 nan 0.000 0.681 1021 D N 0.272 120.881 120.400 0.347 0.000 2.438 1021 D HA 0.361 5.003 4.640 0.004 0.000 0.257 1021 D C -2.019 174.480 176.300 0.332 0.000 1.148 1021 D CA -2.571 51.584 54.000 0.259 0.000 0.902 1021 D CB 1.309 42.226 40.800 0.195 0.000 1.062 1021 D HN -0.019 nan 8.370 nan 0.000 0.518 1022 P HA 0.057 nan 4.420 nan 0.000 0.252 1022 P C 0.093 177.361 177.300 -0.053 0.000 1.265 1022 P CA 0.527 63.727 63.100 0.167 0.000 0.775 1022 P CB 0.054 31.810 31.700 0.094 0.000 1.128 1023 H N -2.657 116.481 119.070 0.113 0.000 2.592 1023 H HA 0.233 4.791 4.556 0.004 0.000 0.265 1023 H C 0.085 175.458 175.328 0.075 0.000 0.955 1023 H CA 0.705 56.800 56.048 0.078 0.000 1.175 1023 H CB 0.565 30.360 29.762 0.055 0.000 1.433 1023 H HN -0.048 nan 8.280 nan 0.000 0.537 1024 T N 0.771 115.435 114.554 0.182 0.000 2.956 1024 T HA 0.232 4.584 4.350 0.004 0.000 0.312 1024 T C -0.923 173.848 174.700 0.119 0.000 1.151 1024 T CA -0.780 61.399 62.100 0.132 0.000 1.024 1024 T CB 2.266 71.205 68.868 0.118 0.000 1.140 1024 T HN 0.002 nan 8.240 nan 0.000 0.473 1025 M N 3.853 123.514 119.600 0.102 0.000 2.131 1025 M HA 0.373 4.855 4.480 0.004 0.000 0.345 1025 M C -2.800 173.575 176.300 0.124 0.000 1.060 1025 M CA -2.527 52.841 55.300 0.113 0.000 1.011 1025 M CB 0.469 33.122 32.600 0.088 0.000 1.328 1025 M HN 0.191 nan 8.290 nan 0.000 0.396 1026 P HA 0.105 nan 4.420 nan 0.000 0.269 1026 P C -0.939 176.486 177.300 0.208 0.000 1.209 1026 P CA -0.252 62.924 63.100 0.126 0.000 0.776 1026 P CB 0.650 32.391 31.700 0.069 0.000 0.876 1027 V N 4.679 124.675 119.914 0.136 0.000 2.378 1027 V HA 0.391 4.513 4.120 0.004 0.000 0.288 1027 V C 0.220 176.363 176.094 0.082 0.000 1.016 1027 V CA -0.275 62.100 62.300 0.125 0.000 0.840 1027 V CB 0.808 32.668 31.823 0.061 0.000 0.994 1027 V HN 0.373 nan 8.190 nan 0.000 0.431 1028 I N 3.132 123.790 120.570 0.147 0.000 2.474 1028 I HA 0.392 4.564 4.170 0.004 0.000 0.294 1028 I C 0.542 176.625 176.117 -0.058 0.000 1.005 1028 I CA -0.427 60.892 61.300 0.031 0.000 1.113 1028 I CB 2.291 40.325 38.000 0.055 0.000 1.289 1028 I HN 0.536 nan 8.210 nan 0.000 0.436 1029 T N 2.493 116.907 114.554 -0.233 0.000 2.813 1029 T HA 0.117 4.469 4.350 0.004 0.000 0.297 1029 T C 0.755 175.400 174.700 -0.092 0.000 1.036 1029 T CA 0.175 62.047 62.100 -0.379 0.000 1.044 1029 T CB 0.868 69.376 68.868 -0.599 0.000 0.993 1029 T HN 0.660 nan 8.240 nan 0.000 0.535 1030 E N 0.658 120.880 120.200 0.038 0.000 2.389 1030 E HA 0.195 4.547 4.350 0.004 0.000 0.199 1030 E C 0.510 177.146 176.600 0.059 0.000 0.978 1030 E CA 0.140 56.588 56.400 0.080 0.000 0.912 1030 E CB 0.420 30.206 29.700 0.144 0.000 0.907 1030 E HN 0.535 nan 8.360 nan 0.000 0.494 1031 V N -3.023 116.933 119.914 0.070 0.000 3.182 1031 V HA 0.676 4.799 4.120 0.004 0.000 0.311 1031 V C 0.298 176.387 176.094 -0.009 0.000 1.221 1031 V CA -1.046 61.281 62.300 0.044 0.000 1.060 1031 V CB 1.779 33.652 31.823 0.083 0.000 1.164 1031 V HN -0.110 nan 8.190 nan 0.000 0.466 1032 S N -0.817 114.867 115.700 -0.026 0.000 2.745 1032 S HA 1.006 5.478 4.470 0.004 0.000 0.292 1032 S C 0.184 174.731 174.600 -0.087 0.000 1.127 1032 S CA 0.164 58.315 58.200 -0.083 0.000 1.007 1032 S CB 1.199 64.337 63.200 -0.105 0.000 1.165 1032 S HN 1.962 nan 8.310 nan 0.000 0.544 1033 G N -0.273 108.410 108.800 -0.195 0.000 2.362 1033 G HA2 0.313 4.275 3.960 0.004 0.000 0.288 1033 G HA3 0.313 4.275 3.960 0.004 0.000 0.288 1033 G C -2.049 172.641 174.900 -0.349 0.000 1.305 1033 G CA -1.015 43.967 45.100 -0.196 0.000 0.910 1033 G HN 0.405 nan 8.290 nan 0.000 0.518 1034 F N -0.012 119.939 119.950 0.001 0.000 2.450 1034 F HA 0.593 5.123 4.527 0.004 0.000 0.332 1034 F C 0.988 176.782 175.800 -0.009 0.000 1.093 1034 F CA -0.812 57.188 58.000 0.001 0.000 1.003 1034 F CB 2.126 41.132 39.000 0.010 0.000 1.151 1034 F HN 0.268 nan 8.300 nan 0.000 0.474 1035 V N 3.086 123.094 119.914 0.156 0.000 2.585 1035 V HA 0.258 4.380 4.120 0.004 0.000 0.296 1035 V C -0.112 176.036 176.094 0.090 0.000 1.035 1035 V CA 0.039 62.370 62.300 0.051 0.000 1.084 1035 V CB 0.859 32.702 31.823 0.033 0.000 0.953 1035 V HN 0.609 nan 8.190 nan 0.000 0.483 1036 R N 4.654 125.155 120.500 0.002 0.000 2.713 1036 R HA 0.385 4.728 4.340 0.004 0.000 0.282 1036 R C -1.258 175.051 176.300 0.015 0.000 1.472 1036 R CA -0.509 55.630 56.100 0.066 0.000 1.060 1036 R CB 0.252 30.586 30.300 0.056 0.000 1.237 1036 R HN 0.435 nan 8.270 nan 0.000 0.484 1037 F N 2.043 122.004 119.950 0.018 0.000 2.578 1037 F HA 0.160 4.689 4.527 0.004 0.000 0.381 1037 F C 0.930 176.734 175.800 0.006 0.000 1.069 1037 F CA 0.847 58.855 58.000 0.012 0.000 1.231 1037 F CB 1.025 40.034 39.000 0.016 0.000 1.086 1037 F HN 0.295 nan 8.300 nan 0.000 0.564 1038 T N 3.540 118.166 114.554 0.120 0.000 2.738 1038 T HA 0.199 4.551 4.350 0.004 0.000 0.298 1038 T C -0.492 174.269 174.700 0.102 0.000 0.962 1038 T CA -0.733 61.412 62.100 0.075 0.000 0.972 1038 T CB -0.023 68.848 68.868 0.005 0.000 0.928 1038 T HN 0.669 nan 8.240 nan 0.000 0.474 1039 D N 2.522 122.977 120.400 0.091 0.000 2.813 1039 D HA -0.255 4.388 4.640 0.004 0.000 0.218 1039 D C -0.323 176.029 176.300 0.087 0.000 1.240 1039 D CA 0.794 54.840 54.000 0.077 0.000 0.644 1039 D CB -1.381 39.456 40.800 0.062 0.000 0.966 1039 D HN 0.554 nan 8.370 nan 0.000 0.398 1040 M N 0.678 120.343 119.600 0.109 0.000 2.182 1040 M HA 0.313 4.795 4.480 0.004 0.000 0.285 1040 M C -0.650 175.685 176.300 0.058 0.000 0.956 1040 M CA -0.937 54.428 55.300 0.108 0.000 0.878 1040 M CB 0.748 33.458 32.600 0.184 0.000 1.373 1040 M HN 0.003 nan 8.290 nan 0.000 0.393 1041 I N 1.252 121.843 120.570 0.035 0.000 2.441 1041 I HA 0.087 4.259 4.170 0.004 0.000 0.287 1041 I C 0.592 176.712 176.117 0.005 0.000 1.049 1041 I CA -0.088 61.216 61.300 0.007 0.000 1.381 1041 I CB 0.485 38.490 38.000 0.008 0.000 1.409 1041 I HN 0.387 nan 8.210 nan 0.000 0.523 1042 D N 5.054 125.446 120.400 -0.014 0.000 2.450 1042 D HA 0.278 4.920 4.640 0.004 0.000 0.247 1042 D C 1.113 177.413 176.300 -0.001 0.000 1.162 1042 D CA 1.330 55.325 54.000 -0.009 0.000 0.879 1042 D CB 0.469 41.255 40.800 -0.025 0.000 1.163 1042 D HN 0.810 nan 8.370 nan 0.000 0.472 1043 G N 3.362 112.167 108.800 0.007 0.000 2.143 1043 G HA2 -0.271 3.691 3.960 0.004 0.000 0.249 1043 G HA3 -0.271 3.691 3.960 0.004 0.000 0.249 1043 G C 0.647 175.554 174.900 0.012 0.000 0.981 1043 G CA 0.590 45.695 45.100 0.008 0.000 0.665 1043 G HN 0.581 nan 8.290 nan 0.000 0.528 1044 Q N -0.918 118.892 119.800 0.016 0.000 2.279 1044 Q HA 0.120 4.462 4.340 0.004 0.000 0.261 1044 Q C 1.878 177.894 176.000 0.027 0.000 0.796 1044 Q CA 2.069 57.884 55.803 0.019 0.000 0.971 1044 Q CB 0.531 29.280 28.738 0.018 0.000 1.179 1044 Q HN 0.882 nan 8.270 nan 0.000 0.505 1045 T N -2.393 112.181 114.554 0.033 0.000 3.154 1045 T HA 0.395 4.748 4.350 0.004 0.000 0.258 1045 T C 0.522 175.251 174.700 0.048 0.000 0.899 1045 T CA -0.182 61.944 62.100 0.043 0.000 0.908 1045 T CB 0.722 69.623 68.868 0.055 0.000 1.260 1045 T HN 0.115 nan 8.240 nan 0.000 0.521 1046 I N 1.338 121.936 120.570 0.046 0.000 2.619 1046 I HA 0.682 4.855 4.170 0.004 0.000 0.292 1046 I C -1.760 174.378 176.117 0.034 0.000 1.100 1046 I CA -0.416 60.914 61.300 0.050 0.000 1.043 1046 I CB 2.347 40.390 38.000 0.073 0.000 1.239 1046 I HN 0.175 nan 8.210 nan 0.000 0.420 1047 T N 5.889 120.462 114.554 0.032 0.000 2.896 1047 T HA 0.506 4.858 4.350 0.004 0.000 0.297 1047 T C -0.809 173.905 174.700 0.024 0.000 1.108 1047 T CA -0.784 61.329 62.100 0.022 0.000 1.004 1047 T CB 1.311 70.190 68.868 0.018 0.000 1.159 1047 T HN 0.775 nan 8.240 nan 0.000 0.499 1048 R N 1.974 122.485 120.500 0.018 0.000 2.641 1048 R HA 0.591 4.933 4.340 0.004 0.000 0.269 1048 R C -0.725 175.586 176.300 0.019 0.000 1.074 1048 R CA -0.689 55.423 56.100 0.019 0.000 1.133 1048 R CB 0.347 30.654 30.300 0.012 0.000 1.029 1048 R HN 0.434 nan 8.270 nan 0.000 0.488 1049 Q N 1.520 121.332 119.800 0.020 0.000 2.709 1049 Q HA 0.139 4.482 4.340 0.004 0.000 0.232 1049 Q C -1.305 174.706 176.000 0.018 0.000 0.856 1049 Q CA -0.155 55.660 55.803 0.019 0.000 0.788 1049 Q CB 1.829 30.580 28.738 0.022 0.000 1.386 1049 Q HN 0.807 nan 8.270 nan 0.000 0.453 1050 T N 1.706 116.269 114.554 0.014 0.000 2.860 1050 T HA 0.260 4.612 4.350 0.004 0.000 0.299 1050 T C -0.522 174.185 174.700 0.012 0.000 1.045 1050 T CA -0.072 62.035 62.100 0.012 0.000 1.071 1050 T CB 0.516 69.390 68.868 0.009 0.000 0.985 1050 T HN 0.615 nan 8.240 nan 0.000 0.537 1051 D N 1.330 121.737 120.400 0.010 0.000 2.168 1051 D HA 0.268 4.911 4.640 0.004 0.000 0.246 1051 D C 0.829 177.133 176.300 0.006 0.000 1.050 1051 D CA -0.408 53.597 54.000 0.009 0.000 0.857 1051 D CB 1.350 42.155 40.800 0.008 0.000 1.169 1051 D HN 0.649 nan 8.370 nan 0.000 0.453 1052 E N 1.910 122.113 120.200 0.005 0.000 2.427 1052 E HA 0.009 4.361 4.350 0.004 0.000 0.196 1052 E C 1.166 177.767 176.600 0.001 0.000 1.028 1052 E CA 0.376 56.778 56.400 0.003 0.000 0.864 1052 E CB 0.553 30.256 29.700 0.004 0.000 0.813 1052 E HN 0.500 nan 8.360 nan 0.000 0.514 1053 L N 0.026 121.248 121.223 -0.001 0.000 2.327 1053 L HA -0.032 4.310 4.340 0.004 0.000 0.192 1053 L C 2.839 179.704 176.870 -0.008 0.000 1.158 1053 L CA 1.313 56.150 54.840 -0.006 0.000 0.813 1053 L CB -0.840 41.213 42.059 -0.010 0.000 1.021 1053 L HN 0.149 nan 8.230 nan 0.000 0.481 1054 T N -2.387 112.161 114.554 -0.009 0.000 2.777 1054 T HA -0.027 4.325 4.350 0.004 0.000 0.266 1054 T C 1.585 176.283 174.700 -0.004 0.000 1.040 1054 T CA 1.214 63.309 62.100 -0.009 0.000 1.141 1054 T CB -0.331 68.533 68.868 -0.008 0.000 0.868 1054 T HN 0.597 nan 8.240 nan 0.000 0.444 1055 G N 1.144 109.944 108.800 -0.001 0.000 2.195 1055 G HA2 -0.193 3.769 3.960 0.004 0.000 0.246 1055 G HA3 -0.193 3.769 3.960 0.004 0.000 0.246 1055 G C 0.010 174.911 174.900 0.003 0.000 0.984 1055 G CA 0.087 45.188 45.100 0.001 0.000 0.633 1055 G HN 0.672 nan 8.290 nan 0.000 0.525 1056 L N 2.312 123.538 121.223 0.004 0.000 2.361 1056 L HA 0.467 4.809 4.340 0.004 0.000 0.278 1056 L C 0.550 177.427 176.870 0.011 0.000 1.113 1056 L CA -0.312 54.533 54.840 0.007 0.000 0.849 1056 L CB 1.332 43.396 42.059 0.008 0.000 1.155 1056 L HN 0.126 nan 8.230 nan 0.000 0.452 1057 S N 1.853 117.560 115.700 0.011 0.000 2.537 1057 S HA 0.510 4.983 4.470 0.004 0.000 0.275 1057 S C -0.167 174.444 174.600 0.019 0.000 1.272 1057 S CA -0.575 57.634 58.200 0.014 0.000 1.050 1057 S CB 1.279 64.486 63.200 0.011 0.000 0.961 1057 S HN 0.634 nan 8.310 nan 0.000 0.496 1058 S N 1.900 117.614 115.700 0.023 0.000 2.546 1058 S HA 0.409 4.882 4.470 0.004 0.000 0.274 1058 S C -0.773 173.849 174.600 0.036 0.000 1.121 1058 S CA -0.815 57.404 58.200 0.032 0.000 0.887 1058 S CB 0.889 64.110 63.200 0.034 0.000 1.094 1058 S HN 0.563 nan 8.310 nan 0.000 0.474 1059 L N 2.565 123.815 121.223 0.045 0.000 2.407 1059 L HA 0.309 4.651 4.340 0.004 0.000 0.282 1059 L C -0.663 176.242 176.870 0.058 0.000 1.110 1059 L CA -0.402 54.468 54.840 0.050 0.000 0.863 1059 L CB 0.035 42.133 42.059 0.064 0.000 1.207 1059 L HN 0.320 nan 8.230 nan 0.000 0.454 1060 V N 4.890 124.833 119.914 0.048 0.000 2.383 1060 V HA 0.184 4.307 4.120 0.004 0.000 0.275 1060 V C 0.275 176.400 176.094 0.051 0.000 1.036 1060 V CA -0.545 61.785 62.300 0.049 0.000 0.889 1060 V CB 2.018 33.865 31.823 0.040 0.000 0.985 1060 V HN 0.474 nan 8.190 nan 0.000 0.459 1061 V N 7.194 127.143 119.914 0.059 0.000 2.530 1061 V HA 0.334 4.456 4.120 0.004 0.000 0.282 1061 V C 0.139 176.263 176.094 0.050 0.000 1.048 1061 V CA -0.334 62.002 62.300 0.061 0.000 0.997 1061 V CB 1.079 32.947 31.823 0.075 0.000 0.987 1061 V HN 0.612 nan 8.190 nan 0.000 0.477 1062 L N 4.851 126.101 121.223 0.045 0.000 2.476 1062 L HA 0.420 4.763 4.340 0.004 0.000 0.255 1062 L C 0.526 177.418 176.870 0.036 0.000 1.218 1062 L CA 0.096 54.958 54.840 0.037 0.000 0.819 1062 L CB 0.196 42.274 42.059 0.032 0.000 1.119 1062 L HN 0.652 nan 8.230 nan 0.000 0.485 1063 D N -0.614 119.804 120.400 0.029 0.000 2.398 1063 D HA 0.060 4.702 4.640 0.004 0.000 0.247 1063 D C 0.943 177.257 176.300 0.023 0.000 1.227 1063 D CA -0.121 53.894 54.000 0.024 0.000 0.980 1063 D CB 0.749 41.560 40.800 0.019 0.000 1.106 1063 D HN 0.493 nan 8.370 nan 0.000 0.493 1064 S N -0.505 115.206 115.700 0.017 0.000 2.436 1064 S HA -0.037 4.435 4.470 0.004 0.000 0.228 1064 S C 1.634 176.242 174.600 0.014 0.000 1.014 1064 S CA 0.977 59.186 58.200 0.015 0.000 0.950 1064 S CB -0.097 63.106 63.200 0.006 0.000 0.784 1064 S HN 0.476 nan 8.310 nan 0.000 0.504 1065 A N 0.425 123.253 122.820 0.014 0.000 2.123 1065 A HA 0.183 4.506 4.320 0.004 0.000 0.214 1065 A C 1.819 179.412 177.584 0.016 0.000 1.152 1065 A CA 0.920 52.966 52.037 0.015 0.000 0.728 1065 A CB -0.364 18.645 19.000 0.016 0.000 0.814 1065 A HN 0.671 nan 8.150 nan 0.000 0.464 1066 E N -0.295 119.915 120.200 0.018 0.000 2.447 1066 E HA -0.011 4.341 4.350 0.004 0.000 0.195 1066 E C 0.347 176.958 176.600 0.019 0.000 1.028 1066 E CA -0.334 56.077 56.400 0.018 0.000 0.876 1066 E CB 0.144 29.856 29.700 0.020 0.000 0.885 1066 E HN 0.307 nan 8.360 nan 0.000 0.500 1067 R N 1.182 121.693 120.500 0.020 0.000 2.863 1067 R HA 0.033 4.375 4.340 0.004 0.000 0.273 1067 R C 1.133 177.443 176.300 0.017 0.000 1.057 1067 R CA 0.545 56.658 56.100 0.020 0.000 1.191 1067 R CB 0.019 30.332 30.300 0.022 0.000 1.104 1067 R HN 0.185 nan 8.270 nan 0.000 0.519 1068 T N -2.108 112.457 114.554 0.017 0.000 4.022 1068 T HA 0.264 4.616 4.350 0.004 0.000 0.347 1068 T C 1.431 176.139 174.700 0.013 0.000 1.227 1068 T CA 0.156 62.264 62.100 0.014 0.000 0.898 1068 T CB -0.006 68.870 68.868 0.014 0.000 2.033 1068 T HN 0.486 nan 8.240 nan 0.000 0.525 1069 A N -0.324 122.504 122.820 0.012 0.000 1.984 1069 A HA 0.453 4.776 4.320 0.004 0.000 0.214 1069 A C 2.255 179.846 177.584 0.012 0.000 1.173 1069 A CA 0.914 52.958 52.037 0.011 0.000 0.673 1069 A CB -0.990 18.015 19.000 0.009 0.000 0.830 1069 A HN 0.951 nan 8.150 nan 0.000 0.453 1070 G N -1.481 107.327 108.800 0.014 0.000 3.044 1070 G HA2 0.330 4.292 3.960 0.004 0.000 0.223 1070 G HA3 0.330 4.292 3.960 0.004 0.000 0.223 1070 G C 1.110 176.022 174.900 0.019 0.000 1.123 1070 G CA 0.892 46.001 45.100 0.015 0.000 0.765 1070 G HN 0.583 nan 8.290 nan 0.000 0.546 1071 G N 0.396 109.208 108.800 0.020 0.000 2.880 1071 G HA2 0.019 3.981 3.960 0.004 0.000 0.209 1071 G HA3 0.019 3.981 3.960 0.004 0.000 0.209 1071 G C 1.379 176.295 174.900 0.027 0.000 1.157 1071 G CA 0.669 45.784 45.100 0.025 0.000 0.779 1071 G HN 0.450 nan 8.290 nan 0.000 0.539 1072 K N 0.394 120.807 120.400 0.022 0.000 2.262 1072 K HA 0.004 4.327 4.320 0.004 0.000 0.200 1072 K C 1.209 177.821 176.600 0.020 0.000 1.049 1072 K CA 0.691 56.990 56.287 0.020 0.000 0.979 1072 K CB 0.168 32.677 32.500 0.014 0.000 0.773 1072 K HN -0.002 nan 8.250 nan 0.000 0.474 1073 D N 0.652 121.065 120.400 0.021 0.000 2.348 1073 D HA -0.028 4.615 4.640 0.004 0.000 0.216 1073 D C -0.326 175.993 176.300 0.031 0.000 0.970 1073 D CA 0.627 54.639 54.000 0.021 0.000 0.889 1073 D CB 0.159 40.970 40.800 0.019 0.000 0.912 1073 D HN 0.071 nan 8.370 nan 0.000 0.524 1074 L N 1.664 122.910 121.223 0.038 0.000 2.296 1074 L HA 0.306 4.649 4.340 0.004 0.000 0.286 1074 L C 0.240 177.151 176.870 0.068 0.000 1.023 1074 L CA -0.780 54.092 54.840 0.053 0.000 0.812 1074 L CB 1.433 43.522 42.059 0.051 0.000 1.223 1074 L HN -0.134 nan 8.230 nan 0.000 0.421 1075 R N 3.631 124.189 120.500 0.097 0.000 2.265 1075 R HA 0.526 4.868 4.340 0.004 0.000 0.328 1075 R C -2.922 173.489 176.300 0.184 0.000 0.969 1075 R CA -1.878 54.304 56.100 0.137 0.000 0.832 1075 R CB 0.658 31.053 30.300 0.158 0.000 1.139 1075 R HN 0.279 nan 8.270 nan 0.000 0.457 1076 P HA 0.184 nan 4.420 nan 0.000 0.264 1076 P C -0.927 176.481 177.300 0.181 0.000 1.193 1076 P CA 0.085 63.276 63.100 0.150 0.000 0.763 1076 P CB 1.057 32.835 31.700 0.129 0.000 0.810 1077 A N 3.536 126.391 122.820 0.058 0.000 2.586 1077 A HA 0.565 4.887 4.320 0.004 0.000 0.290 1077 A C -1.845 175.649 177.584 -0.151 0.000 1.086 1077 A CA -0.571 51.398 52.037 -0.112 0.000 0.665 1077 A CB 1.355 20.081 19.000 -0.456 0.000 1.279 1077 A HN 0.495 nan 8.150 nan 0.000 0.423 1078 L N 2.151 123.255 121.223 -0.199 0.000 2.433 1078 L HA 0.366 4.709 4.340 0.004 0.000 0.256 1078 L C 0.050 176.848 176.870 -0.121 0.000 1.063 1078 L CA -0.183 54.535 54.840 -0.204 0.000 0.922 1078 L CB 0.342 42.252 42.059 -0.249 0.000 1.238 1078 L HN 0.967 nan 8.230 nan 0.000 0.466 1079 K N 3.934 124.259 120.400 -0.125 0.000 2.126 1079 K HA 0.664 4.986 4.320 0.004 0.000 0.257 1079 K C -0.389 176.210 176.600 -0.001 0.000 1.007 1079 K CA -0.602 55.641 56.287 -0.073 0.000 0.928 1079 K CB 1.688 34.130 32.500 -0.096 0.000 1.013 1079 K HN 0.534 nan 8.250 nan 0.000 0.473 1080 I N -1.150 119.446 120.570 0.043 0.000 2.582 1080 I HA 0.577 4.750 4.170 0.004 0.000 0.292 1080 I C -0.472 175.696 176.117 0.085 0.000 1.066 1080 I CA -1.300 60.046 61.300 0.078 0.000 1.053 1080 I CB 1.989 40.043 38.000 0.089 0.000 1.241 1080 I HN 0.619 nan 8.210 nan 0.000 0.421 1081 V N 0.907 120.899 119.914 0.130 0.000 3.164 1081 V HA 0.660 4.782 4.120 0.004 0.000 0.313 1081 V C -0.491 175.725 176.094 0.202 0.000 1.188 1081 V CA -0.371 62.002 62.300 0.121 0.000 1.058 1081 V CB 1.755 33.624 31.823 0.078 0.000 1.110 1081 V HN 0.806 nan 8.190 nan 0.000 0.453 1082 D N 0.940 121.430 120.400 0.150 0.000 2.231 1082 D HA 0.551 5.193 4.640 0.004 0.000 0.287 1082 D C 1.124 177.531 176.300 0.177 0.000 1.160 1082 D CA 0.742 54.852 54.000 0.185 0.000 1.089 1082 D CB 0.003 40.865 40.800 0.104 0.000 1.158 1082 D HN 0.864 nan 8.370 nan 0.000 0.494 1083 A N -0.813 122.065 122.820 0.096 0.000 2.390 1083 A HA 0.043 4.365 4.320 0.004 0.000 0.232 1083 A C 1.362 178.931 177.584 -0.025 0.000 1.233 1083 A CA 0.194 52.235 52.037 0.006 0.000 0.907 1083 A CB -0.279 18.744 19.000 0.039 0.000 0.967 1083 A HN 0.444 nan 8.150 nan 0.000 0.512 1084 Q N -2.721 117.078 119.800 -0.001 0.000 2.353 1084 Q HA 0.416 4.759 4.340 0.004 0.000 0.240 1084 Q C 1.005 176.998 176.000 -0.012 0.000 0.868 1084 Q CA 0.785 56.583 55.803 -0.008 0.000 0.944 1084 Q CB 0.240 28.981 28.738 0.005 0.000 1.104 1084 Q HN 0.829 nan 8.270 nan 0.000 0.531 1085 G N 1.563 110.361 108.800 -0.003 0.000 2.168 1085 G HA2 -0.231 3.731 3.960 0.004 0.000 0.197 1085 G HA3 -0.231 3.731 3.960 0.004 0.000 0.197 1085 G C -0.445 174.461 174.900 0.011 0.000 0.997 1085 G CA -0.061 45.038 45.100 -0.001 0.000 0.658 1085 G HN 0.340 nan 8.290 nan 0.000 0.513 1086 N N 1.206 119.917 118.700 0.018 0.000 2.472 1086 N HA 0.432 5.175 4.740 0.004 0.000 0.277 1086 N C -0.339 175.185 175.510 0.023 0.000 1.081 1086 N CA -0.410 52.651 53.050 0.017 0.000 0.973 1086 N CB 1.129 39.625 38.487 0.016 0.000 1.105 1086 N HN 0.167 nan 8.380 nan 0.000 0.470 1087 D N 1.968 122.376 120.400 0.013 0.000 2.458 1087 D HA 0.005 4.648 4.640 0.004 0.000 0.243 1087 D C -0.304 176.003 176.300 0.011 0.000 1.146 1087 D CA -0.059 53.947 54.000 0.008 0.000 0.877 1087 D CB 0.662 41.457 40.800 -0.009 0.000 1.176 1087 D HN 0.182 nan 8.370 nan 0.000 0.461 1088 V N 4.436 124.361 119.914 0.019 0.000 2.599 1088 V HA 0.032 4.155 4.120 0.004 0.000 0.300 1088 V C 0.484 176.580 176.094 0.003 0.000 1.034 1088 V CA -0.231 62.081 62.300 0.021 0.000 1.115 1088 V CB 0.791 32.637 31.823 0.039 0.000 0.934 1088 V HN 0.423 nan 8.190 nan 0.000 0.485 1089 L N 6.486 127.712 121.223 0.006 0.000 2.296 1089 L HA 0.586 4.929 4.340 0.004 0.000 0.286 1089 L C -0.356 176.515 176.870 0.003 0.000 1.023 1089 L CA -0.150 54.688 54.840 -0.003 0.000 0.812 1089 L CB 1.337 43.395 42.059 -0.001 0.000 1.223 1089 L HN 0.485 nan 8.230 nan 0.000 0.421 1090 I N 7.650 128.217 120.570 -0.004 0.000 2.452 1090 I HA 0.235 4.407 4.170 0.004 0.000 0.287 1090 I C -1.890 174.231 176.117 0.007 0.000 1.079 1090 I CA -1.580 59.723 61.300 0.006 0.000 1.387 1090 I CB 0.321 38.321 38.000 0.001 0.000 1.404 1090 I HN 0.530 nan 8.210 nan 0.000 0.522 1091 P HA 0.202 nan 4.420 nan 0.000 0.265 1091 P C 0.790 178.099 177.300 0.014 0.000 1.222 1091 P CA 0.652 63.760 63.100 0.014 0.000 0.767 1091 P CB 0.639 32.350 31.700 0.017 0.000 0.801 1092 G N 3.234 112.039 108.800 0.010 0.000 3.700 1092 G HA2 -0.298 3.665 3.960 0.004 0.000 0.211 1092 G HA3 -0.298 3.665 3.960 0.004 0.000 0.211 1092 G C 1.330 176.232 174.900 0.004 0.000 1.777 1092 G CA 0.362 45.468 45.100 0.010 0.000 1.460 1092 G HN 0.491 nan 8.290 nan 0.000 0.615 1093 T N -0.985 113.570 114.554 0.000 0.000 2.788 1093 T HA 0.175 4.528 4.350 0.004 0.000 0.268 1093 T C 0.951 175.639 174.700 -0.019 0.000 1.044 1093 T CA 1.792 63.885 62.100 -0.012 0.000 1.139 1093 T CB -0.320 68.535 68.868 -0.021 0.000 0.867 1093 T HN 1.273 nan 8.240 nan 0.000 0.454 1094 D N 0.696 121.086 120.400 -0.016 0.000 2.737 1094 D HA -0.083 4.559 4.640 0.004 0.000 0.243 1094 D C -0.762 175.520 176.300 -0.029 0.000 1.109 1094 D CA 0.550 54.539 54.000 -0.018 0.000 0.702 1094 D CB -1.846 38.945 40.800 -0.016 0.000 1.068 1094 D HN 0.461 nan 8.370 nan 0.000 0.432 1095 M N -0.302 119.277 119.600 -0.035 0.000 2.530 1095 M HA 0.486 4.968 4.480 0.004 0.000 0.307 1095 M C -2.308 173.962 176.300 -0.049 0.000 1.161 1095 M CA -1.851 53.423 55.300 -0.043 0.000 0.903 1095 M CB 1.932 34.498 32.600 -0.056 0.000 1.711 1095 M HN -0.326 nan 8.290 nan 0.000 0.451 1096 P HA 0.098 nan 4.420 nan 0.000 0.265 1096 P C -0.833 176.398 177.300 -0.115 0.000 1.187 1096 P CA -0.031 63.034 63.100 -0.058 0.000 0.766 1096 P CB 0.435 32.114 31.700 -0.036 0.000 0.820 1097 A N 3.273 126.012 122.820 -0.135 0.000 3.202 1097 A HA 0.091 4.413 4.320 0.004 0.000 0.258 1097 A C 0.180 177.549 177.584 -0.359 0.000 1.572 1097 A CA -0.094 51.792 52.037 -0.251 0.000 1.241 1097 A CB -0.871 18.067 19.000 -0.103 0.000 1.127 1097 A HN 0.508 nan 8.150 nan 0.000 0.648 1098 Q N 0.667 120.239 119.800 -0.380 0.000 2.390 1098 Q HA 0.293 4.635 4.340 0.004 0.000 0.249 1098 Q C -1.504 174.157 176.000 -0.564 0.000 0.996 1098 Q CA -0.243 55.282 55.803 -0.464 0.000 0.899 1098 Q CB 0.864 29.269 28.738 -0.554 0.000 1.216 1098 Q HN 0.640 nan 8.270 nan 0.000 0.465 1099 Y N 2.577 122.718 120.300 -0.264 0.000 2.627 1099 Y HA 0.165 4.717 4.550 0.004 0.000 0.347 1099 Y C -0.133 175.666 175.900 -0.169 0.000 1.099 1099 Y CA -0.500 57.524 58.100 -0.126 0.000 1.408 1099 Y CB -0.182 38.239 38.460 -0.065 0.000 1.247 1099 Y HN 0.498 nan 8.280 nan 0.000 0.506 1100 F N 2.909 122.904 119.950 0.075 0.000 2.490 1100 F HA 0.255 4.784 4.527 0.004 0.000 0.336 1100 F C 0.227 176.062 175.800 0.059 0.000 1.178 1100 F CA -0.256 57.772 58.000 0.046 0.000 1.301 1100 F CB 0.441 39.449 39.000 0.013 0.000 1.175 1100 F HN 0.181 nan 8.300 nan 0.000 0.593 1101 L N 4.233 125.594 121.223 0.230 0.000 2.454 1101 L HA 0.326 4.668 4.340 0.004 0.000 0.258 1101 L C -2.183 174.760 176.870 0.122 0.000 1.025 1101 L CA -1.990 52.935 54.840 0.142 0.000 0.901 1101 L CB 1.046 43.159 42.059 0.090 0.000 1.210 1101 L HN 0.384 nan 8.230 nan 0.000 0.457 1102 P HA 0.031 nan 4.420 nan 0.000 0.273 1102 P C 0.438 177.771 177.300 0.055 0.000 1.258 1102 P CA -0.148 62.989 63.100 0.062 0.000 0.802 1102 P CB 0.627 32.347 31.700 0.035 0.000 1.040 1103 G N -0.536 108.288 108.800 0.040 0.000 2.750 1103 G HA2 0.043 4.006 3.960 0.004 0.000 0.250 1103 G HA3 0.043 4.006 3.960 0.004 0.000 0.250 1103 G C 0.211 175.134 174.900 0.038 0.000 1.230 1103 G CA -0.018 45.105 45.100 0.038 0.000 0.883 1103 G HN 0.770 nan 8.290 nan 0.000 0.573 1104 K N -2.270 118.153 120.400 0.039 0.000 3.129 1104 K HA -0.116 4.207 4.320 0.004 0.000 0.273 1104 K C 0.116 176.743 176.600 0.045 0.000 1.123 1104 K CA 0.573 56.884 56.287 0.039 0.000 0.800 1104 K CB -1.506 31.014 32.500 0.034 0.000 1.238 1104 K HN 1.103 nan 8.250 nan 0.000 0.492 1105 A N 1.387 124.237 122.820 0.050 0.000 2.318 1105 A HA 0.663 4.986 4.320 0.004 0.000 0.317 1105 A C 0.007 177.625 177.584 0.058 0.000 1.159 1105 A CA -0.870 51.200 52.037 0.055 0.000 0.799 1105 A CB 0.618 19.654 19.000 0.060 0.000 1.194 1105 A HN 0.431 nan 8.150 nan 0.000 0.479 1106 I N 0.770 121.373 120.570 0.055 0.000 2.498 1106 I HA 0.867 5.040 4.170 0.004 0.000 0.301 1106 I C -0.452 175.702 176.117 0.061 0.000 0.984 1106 I CA -1.008 60.327 61.300 0.057 0.000 1.204 1106 I CB 1.840 39.869 38.000 0.048 0.000 1.362 1106 I HN 0.481 nan 8.210 nan 0.000 0.471 1107 V N 2.433 122.391 119.914 0.075 0.000 2.925 1107 V HA 0.552 4.674 4.120 0.004 0.000 0.311 1107 V C -0.498 175.649 176.094 0.089 0.000 1.104 1107 V CA -0.439 61.913 62.300 0.087 0.000 0.954 1107 V CB 1.734 33.638 31.823 0.134 0.000 1.022 1107 V HN 0.882 nan 8.190 nan 0.000 0.427 1108 Q N 2.040 121.889 119.800 0.081 0.000 2.118 1108 Q HA 0.529 4.871 4.340 0.004 0.000 0.219 1108 Q C -0.549 175.503 176.000 0.087 0.000 0.794 1108 Q CA -0.033 55.812 55.803 0.070 0.000 1.035 1108 Q CB 0.890 29.654 28.738 0.045 0.000 1.177 1108 Q HN 0.782 nan 8.270 nan 0.000 0.478 1109 L N 0.293 121.597 121.223 0.136 0.000 2.416 1109 L HA 0.493 4.835 4.340 0.004 0.000 0.262 1109 L C 0.105 177.126 176.870 0.251 0.000 1.093 1109 L CA -0.506 54.435 54.840 0.168 0.000 0.801 1109 L CB 0.831 42.976 42.059 0.143 0.000 1.191 1109 L HN -0.063 nan 8.230 nan 0.000 0.459 1110 E N -0.294 120.034 120.200 0.214 0.000 2.227 1110 E HA 0.219 4.572 4.350 0.004 0.000 0.268 1110 E C -1.323 175.433 176.600 0.260 0.000 0.907 1110 E CA -0.685 55.802 56.400 0.145 0.000 0.786 1110 E CB 1.252 30.990 29.700 0.062 0.000 1.191 1110 E HN 0.418 nan 8.360 nan 0.000 0.411 1111 D N 2.723 123.164 120.400 0.068 0.000 2.346 1111 D HA 0.314 4.956 4.640 0.004 0.000 0.267 1111 D C -0.051 176.339 176.300 0.150 0.000 1.320 1111 D CA 1.574 55.676 54.000 0.170 0.000 0.951 1111 D CB -0.202 40.522 40.800 -0.127 0.000 1.079 1111 D HN 0.669 nan 8.370 nan 0.000 0.509 1112 G N 2.604 111.527 108.800 0.204 0.000 2.797 1112 G HA2 0.045 4.007 3.960 0.004 0.000 0.192 1112 G HA3 0.045 4.007 3.960 0.004 0.000 0.192 1112 G C -0.192 174.792 174.900 0.140 0.000 1.101 1112 G CA -0.187 45.000 45.100 0.144 0.000 0.930 1112 G HN 0.962 nan 8.290 nan 0.000 0.512 1113 V N -2.791 117.218 119.914 0.159 0.000 3.102 1113 V HA 0.934 5.056 4.120 0.004 0.000 0.312 1113 V C -0.112 176.051 176.094 0.114 0.000 1.135 1113 V CA -1.417 60.956 62.300 0.122 0.000 1.022 1113 V CB 2.097 33.977 31.823 0.095 0.000 1.056 1113 V HN 0.634 nan 8.190 nan 0.000 0.436 1114 Q N 2.012 121.853 119.800 0.067 0.000 2.296 1114 Q HA 0.589 4.931 4.340 0.004 0.000 0.257 1114 Q C -1.146 174.821 176.000 -0.055 0.000 0.942 1114 Q CA -0.210 55.587 55.803 -0.011 0.000 0.939 1114 Q CB 1.058 29.790 28.738 -0.010 0.000 1.198 1114 Q HN 0.733 nan 8.270 nan 0.000 0.429 1115 I N 2.867 123.369 120.570 -0.114 0.000 2.447 1115 I HA 0.309 4.482 4.170 0.004 0.000 0.287 1115 I C -0.262 175.773 176.117 -0.138 0.000 1.023 1115 I CA -0.385 60.851 61.300 -0.106 0.000 1.083 1115 I CB 1.265 39.206 38.000 -0.098 0.000 1.245 1115 I HN 0.618 nan 8.210 nan 0.000 0.434 1116 S N 3.706 119.341 115.700 -0.109 0.000 2.693 1116 S HA 0.312 4.784 4.470 0.004 0.000 0.276 1116 S C 0.352 174.897 174.600 -0.092 0.000 1.192 1116 S CA -0.270 57.868 58.200 -0.104 0.000 0.994 1116 S CB 1.217 64.369 63.200 -0.081 0.000 1.012 1116 S HN 0.609 nan 8.310 nan 0.000 0.550 1117 S N 1.009 116.662 115.700 -0.078 0.000 2.519 1117 S HA 0.448 4.921 4.470 0.004 0.000 0.320 1117 S C 0.858 175.421 174.600 -0.061 0.000 1.179 1117 S CA 0.671 58.832 58.200 -0.065 0.000 1.173 1117 S CB -1.163 62.011 63.200 -0.042 0.000 1.224 1117 S HN 1.162 nan 8.310 nan 0.000 0.542 1118 G N 4.231 112.989 108.800 -0.071 0.000 3.465 1118 G HA2 -0.082 3.880 3.960 0.004 0.000 0.219 1118 G HA3 -0.082 3.880 3.960 0.004 0.000 0.219 1118 G C -0.538 174.318 174.900 -0.073 0.000 0.984 1118 G CA -0.527 44.532 45.100 -0.069 0.000 0.864 1118 G HN 0.608 nan 8.290 nan 0.000 0.485 1119 D N 2.273 122.628 120.400 -0.074 0.000 2.372 1119 D HA 0.452 5.094 4.640 0.004 0.000 0.243 1119 D C 0.869 177.126 176.300 -0.072 0.000 1.121 1119 D CA 0.882 54.842 54.000 -0.067 0.000 0.898 1119 D CB 1.304 42.065 40.800 -0.065 0.000 1.202 1119 D HN 0.324 nan 8.370 nan 0.000 0.428 1120 T N -0.035 114.488 114.554 -0.052 0.000 2.739 1120 T HA 0.232 4.584 4.350 0.004 0.000 0.298 1120 T C 1.234 175.908 174.700 -0.043 0.000 0.929 1120 T CA -0.692 61.383 62.100 -0.040 0.000 1.014 1120 T CB 0.335 69.192 68.868 -0.018 0.000 0.914 1120 T HN 0.059 nan 8.240 nan 0.000 0.509 1121 L N 2.479 123.659 121.223 -0.072 0.000 2.156 1121 L HA 0.394 4.736 4.340 0.004 0.000 0.208 1121 L C 1.506 178.353 176.870 -0.038 0.000 1.095 1121 L CA 1.562 56.353 54.840 -0.082 0.000 0.770 1121 L CB -0.982 40.988 42.059 -0.147 0.000 0.914 1121 L HN 1.026 nan 8.230 nan 0.000 0.439 1122 A N -1.057 121.754 122.820 -0.014 0.000 2.588 1122 A HA 0.834 5.156 4.320 0.004 0.000 0.309 1122 A C -1.216 176.389 177.584 0.035 0.000 1.173 1122 A CA -0.667 51.380 52.037 0.017 0.000 0.631 1122 A CB 1.065 20.079 19.000 0.023 0.000 1.364 1122 A HN 0.110 nan 8.150 nan 0.000 0.526 1123 R N -0.308 120.221 120.500 0.048 0.000 2.579 1123 R HA 0.662 5.004 4.340 0.004 0.000 0.260 1123 R C -2.142 174.194 176.300 0.060 0.000 1.103 1123 R CA -0.558 55.578 56.100 0.060 0.000 0.942 1123 R CB 0.769 31.105 30.300 0.059 0.000 1.251 1123 R HN 0.517 nan 8.270 nan 0.000 0.450 1124 I N 2.644 123.252 120.570 0.063 0.000 2.382 1124 I HA 0.328 4.500 4.170 0.004 0.000 0.285 1124 I C -2.233 173.919 176.117 0.058 0.000 1.007 1124 I CA -2.720 58.614 61.300 0.056 0.000 1.142 1124 I CB 2.171 40.200 38.000 0.049 0.000 1.289 1124 I HN 0.350 nan 8.210 nan 0.000 0.453 1125 P HA -0.035 nan 4.420 nan 0.000 0.260 1125 P C -0.451 176.880 177.300 0.053 0.000 1.207 1125 P CA -0.173 62.966 63.100 0.065 0.000 0.780 1125 P CB 0.150 31.889 31.700 0.065 0.000 0.789 1126 Q N 4.052 123.885 119.800 0.054 0.000 2.432 1126 Q HA 0.087 4.429 4.340 0.004 0.000 0.264 1126 Q C -0.114 175.908 176.000 0.037 0.000 1.035 1126 Q CA 0.695 56.522 55.803 0.040 0.000 0.908 1126 Q CB 1.162 29.924 28.738 0.041 0.000 1.280 1126 Q HN 0.391 nan 8.270 nan 0.000 0.455 1127 E N 1.361 121.577 120.200 0.026 0.000 4.092 1127 E HA 0.398 4.750 4.350 0.004 0.000 0.295 1127 E C -0.439 176.177 176.600 0.027 0.000 0.821 1127 E CA -0.131 56.286 56.400 0.027 0.000 1.543 1127 E CB 0.245 29.957 29.700 0.020 0.000 2.143 1127 E HN 0.757 nan 8.360 nan 0.000 0.465 1128 S N -0.243 115.472 115.700 0.025 0.000 2.614 1128 S HA 0.696 5.168 4.470 0.004 0.000 0.259 1128 S C -0.290 174.330 174.600 0.034 0.000 1.118 1128 S CA -0.442 57.777 58.200 0.032 0.000 1.065 1128 S CB 1.122 64.346 63.200 0.041 0.000 1.121 1128 S HN 0.552 nan 8.310 nan 0.000 0.458 1129 G N 0.178 108.995 108.800 0.029 0.000 2.766 1129 G HA2 0.946 4.908 3.960 0.004 0.000 0.288 1129 G HA3 0.946 4.908 3.960 0.004 0.000 0.288 1129 G C 0.042 174.980 174.900 0.064 0.000 1.408 1129 G CA -0.621 44.503 45.100 0.040 0.000 0.852 1129 G HN 1.996 nan 8.290 nan 0.000 0.487 1130 G N -0.389 108.483 108.800 0.120 0.000 3.444 1130 G HA2 0.405 4.367 3.960 0.004 0.000 0.685 1130 G HA3 0.405 4.367 3.960 0.004 0.000 0.685 1130 G C 0.033 175.011 174.900 0.131 0.000 1.145 1130 G CA 0.226 45.407 45.100 0.134 0.000 0.973 1130 G HN 1.914 nan 8.290 nan 0.000 0.525 1131 T N -0.167 114.476 114.554 0.148 0.000 2.906 1131 T HA 0.334 4.687 4.350 0.004 0.000 0.320 1131 T C 0.786 175.524 174.700 0.064 0.000 1.088 1131 T CA 0.358 62.513 62.100 0.092 0.000 1.120 1131 T CB 1.276 70.179 68.868 0.059 0.000 1.000 1131 T HN 0.857 nan 8.240 nan 0.000 0.550 1132 K N 1.614 122.042 120.400 0.047 0.000 2.361 1132 K HA -0.007 4.316 4.320 0.004 0.000 0.283 1132 K C -0.368 176.248 176.600 0.027 0.000 1.078 1132 K CA -0.245 56.063 56.287 0.036 0.000 1.041 1132 K CB -0.074 32.444 32.500 0.030 0.000 0.932 1132 K HN 0.531 nan 8.250 nan 0.000 0.462 1133 D N 3.393 123.811 120.400 0.029 0.000 2.349 1133 D HA 0.054 4.697 4.640 0.004 0.000 0.214 1133 D C -0.092 176.217 176.300 0.015 0.000 1.063 1133 D CA 0.182 54.196 54.000 0.025 0.000 0.847 1133 D CB 0.330 41.149 40.800 0.033 0.000 0.933 1133 D HN 0.405 nan 8.370 nan 0.000 0.513 1134 I N 1.423 122.000 120.570 0.011 0.000 2.395 1134 I HA 0.180 4.352 4.170 0.004 0.000 0.282 1134 I C 0.415 176.526 176.117 -0.011 0.000 1.107 1134 I CA -0.012 61.288 61.300 0.001 0.000 1.210 1134 I CB 0.223 38.227 38.000 0.006 0.000 1.456 1134 I HN -0.272 nan 8.210 nan 0.000 0.504 1135 T N 3.066 117.606 114.554 -0.022 0.000 2.924 1135 T HA 0.885 5.238 4.350 0.004 0.000 0.291 1135 T C -0.290 174.369 174.700 -0.067 0.000 1.045 1135 T CA -0.542 61.535 62.100 -0.038 0.000 1.015 1135 T CB 2.190 71.039 68.868 -0.032 0.000 1.103 1135 T HN 0.709 nan 8.240 nan 0.000 0.496 1136 G N -0.078 108.669 108.800 -0.089 0.000 2.706 1136 G HA2 0.698 4.661 3.960 0.004 0.000 0.297 1136 G HA3 0.698 4.661 3.960 0.004 0.000 0.297 1136 G C -0.137 174.680 174.900 -0.139 0.000 1.403 1136 G CA 0.095 45.105 45.100 -0.149 0.000 0.954 1136 G HN 1.358 nan 8.290 nan 0.000 0.500 1137 G N -0.579 108.119 108.800 -0.170 0.000 2.249 1137 G HA2 0.216 4.179 3.960 0.004 0.000 0.089 1137 G HA3 0.216 4.179 3.960 0.004 0.000 0.089 1137 G C 0.044 174.899 174.900 -0.074 0.000 1.206 1137 G CA 0.236 45.269 45.100 -0.111 0.000 1.190 1137 G HN 0.913 nan 8.290 nan 0.000 0.454 1138 L N 1.624 122.819 121.223 -0.046 0.000 2.269 1138 L HA 0.280 4.623 4.340 0.004 0.000 0.200 1138 L C -0.381 176.477 176.870 -0.020 0.000 1.069 1138 L CA 1.595 56.425 54.840 -0.017 0.000 0.804 1138 L CB -0.824 41.238 42.059 0.005 0.000 0.987 1138 L HN 0.346 nan 8.230 nan 0.000 0.468 1139 P HA -0.150 nan 4.420 nan 0.000 0.219 1139 P C 1.616 178.910 177.300 -0.010 0.000 1.146 1139 P CA 1.010 64.094 63.100 -0.026 0.000 0.808 1139 P CB 0.047 31.719 31.700 -0.046 0.000 0.779 1140 R N 0.131 120.616 120.500 -0.024 0.000 2.062 1140 R HA -0.044 4.299 4.340 0.004 0.000 0.229 1140 R C 1.892 178.205 176.300 0.022 0.000 1.128 1140 R CA 1.312 57.407 56.100 -0.009 0.000 0.960 1140 R CB -1.160 29.114 30.300 -0.043 0.000 0.855 1140 R HN 0.067 nan 8.270 nan 0.000 0.432 1141 V N 1.266 121.171 119.914 -0.016 0.000 2.427 1141 V HA -0.109 4.014 4.120 0.004 0.000 0.248 1141 V C 1.916 177.957 176.094 -0.088 0.000 1.051 1141 V CA 1.621 63.881 62.300 -0.067 0.000 1.048 1141 V CB -0.787 30.913 31.823 -0.206 0.000 0.666 1141 V HN 0.371 nan 8.190 nan 0.000 0.456 1142 A N -0.512 122.284 122.820 -0.041 0.000 2.324 1142 A HA 0.027 4.350 4.320 0.004 0.000 0.240 1142 A C 1.462 179.106 177.584 0.100 0.000 1.347 1142 A CA 0.976 53.033 52.037 0.033 0.000 1.036 1142 A CB -0.524 18.525 19.000 0.082 0.000 0.917 1142 A HN 0.553 nan 8.150 nan 0.000 0.519 1143 D N -1.157 119.325 120.400 0.136 0.000 3.084 1143 D HA 0.025 4.668 4.640 0.004 0.000 0.294 1143 D C 1.600 178.002 176.300 0.171 0.000 1.165 1143 D CA 0.293 54.372 54.000 0.131 0.000 1.008 1143 D CB 0.117 40.976 40.800 0.098 0.000 1.266 1143 D HN 0.164 nan 8.370 nan 0.000 0.449 1144 L N 0.474 121.832 121.223 0.226 0.000 2.179 1144 L HA 0.049 4.391 4.340 0.004 0.000 0.208 1144 L C 2.238 179.212 176.870 0.174 0.000 1.096 1144 L CA 0.879 55.830 54.840 0.184 0.000 0.779 1144 L CB -1.281 40.875 42.059 0.163 0.000 0.922 1144 L HN 0.083 nan 8.230 nan 0.000 0.443 1145 F N 1.167 121.139 119.950 0.038 0.000 2.051 1145 F HA -0.169 4.361 4.527 0.006 0.000 0.296 1145 F C 2.469 178.284 175.800 0.024 0.000 1.122 1145 F CA 1.187 59.203 58.000 0.027 0.000 1.201 1145 F CB -0.524 38.493 39.000 0.028 0.000 0.978 1145 F HN 0.125 nan 8.300 nan 0.000 0.472 1146 E N 0.045 120.391 120.200 0.243 0.000 2.516 1146 E HA 0.095 4.447 4.350 0.004 0.000 0.199 1146 E C 1.463 178.138 176.600 0.125 0.000 1.069 1146 E CA 0.769 57.258 56.400 0.149 0.000 0.876 1146 E CB -0.594 29.184 29.700 0.130 0.000 0.843 1146 E HN 0.328 nan 8.360 nan 0.000 0.530 1147 A N 1.336 124.225 122.820 0.114 0.000 2.816 1147 A HA -0.305 4.017 4.320 0.004 0.000 0.270 1147 A C 0.441 178.132 177.584 0.178 0.000 1.413 1147 A CA 1.276 53.371 52.037 0.097 0.000 0.866 1147 A CB -1.884 17.146 19.000 0.050 0.000 1.032 1147 A HN 0.291 nan 8.150 nan 0.000 0.642 1148 R N -0.342 120.242 120.500 0.140 0.000 2.615 1148 R HA 0.395 4.738 4.340 0.004 0.000 0.270 1148 R C 0.813 177.178 176.300 0.109 0.000 1.081 1148 R CA -0.170 56.002 56.100 0.118 0.000 1.154 1148 R CB 0.412 30.766 30.300 0.089 0.000 1.063 1148 R HN 0.691 nan 8.270 nan 0.000 0.519 1149 R N 1.534 122.084 120.500 0.082 0.000 2.404 1149 R HA 0.171 4.514 4.340 0.004 0.000 0.315 1149 R C -2.311 174.020 176.300 0.052 0.000 1.032 1149 R CA -1.517 54.623 56.100 0.066 0.000 0.992 1149 R CB -0.332 29.991 30.300 0.038 0.000 0.959 1149 R HN 0.245 nan 8.270 nan 0.000 0.428 1150 P HA -0.077 nan 4.420 nan 0.000 0.267 1150 P C 0.133 177.449 177.300 0.027 0.000 1.200 1150 P CA -0.237 62.892 63.100 0.048 0.000 0.772 1150 P CB 0.615 32.351 31.700 0.058 0.000 0.855 1151 K N 1.604 122.013 120.400 0.016 0.000 2.555 1151 K HA -0.075 4.247 4.320 0.004 0.000 0.193 1151 K C -0.297 176.301 176.600 -0.004 0.000 1.032 1151 K CA 1.180 57.465 56.287 -0.003 0.000 1.004 1151 K CB -0.086 32.406 32.500 -0.013 0.000 0.804 1151 K HN 0.527 nan 8.250 nan 0.000 0.496 1152 E N 2.479 122.688 120.200 0.014 0.000 2.916 1152 E HA 0.280 4.633 4.350 0.004 0.000 0.217 1152 E C -2.529 174.090 176.600 0.031 0.000 1.100 1152 E CA -2.125 54.288 56.400 0.021 0.000 0.891 1152 E CB 1.087 30.805 29.700 0.029 0.000 1.311 1152 E HN 0.131 nan 8.360 nan 0.000 0.421 1153 P HA 0.014 nan 4.420 nan 0.000 0.267 1153 P C -0.778 176.543 177.300 0.035 0.000 1.201 1153 P CA 0.009 63.126 63.100 0.028 0.000 0.775 1153 P CB 0.689 32.401 31.700 0.020 0.000 0.854 1154 A N 2.972 125.810 122.820 0.030 0.000 3.005 1154 A HA 0.338 4.660 4.320 0.004 0.000 0.308 1154 A C -0.125 177.467 177.584 0.013 0.000 1.173 1154 A CA -0.515 51.538 52.037 0.026 0.000 0.796 1154 A CB -0.347 18.671 19.000 0.030 0.000 1.325 1154 A HN 0.423 nan 8.150 nan 0.000 0.467 1155 I N 1.568 122.146 120.570 0.014 0.000 2.826 1155 I HA 0.005 4.178 4.170 0.004 0.000 0.295 1155 I C 0.147 176.262 176.117 -0.003 0.000 1.213 1155 I CA 0.788 62.093 61.300 0.007 0.000 1.436 1155 I CB 0.553 38.562 38.000 0.015 0.000 1.348 1155 I HN 0.570 nan 8.210 nan 0.000 0.570 1156 L N 6.385 127.599 121.223 -0.014 0.000 2.362 1156 L HA 0.678 5.020 4.340 0.004 0.000 0.271 1156 L C 0.404 177.259 176.870 -0.025 0.000 1.002 1156 L CA -0.518 54.307 54.840 -0.025 0.000 0.818 1156 L CB 1.623 43.654 42.059 -0.046 0.000 1.298 1156 L HN 0.771 nan 8.230 nan 0.000 0.420 1157 A N 2.634 125.441 122.820 -0.021 0.000 2.364 1157 A HA 0.150 4.473 4.320 0.004 0.000 0.258 1157 A C 0.688 178.246 177.584 -0.042 0.000 1.131 1157 A CA 0.630 52.655 52.037 -0.021 0.000 0.800 1157 A CB 0.182 19.177 19.000 -0.008 0.000 1.086 1157 A HN 0.935 nan 8.150 nan 0.000 0.508 1158 E N -1.420 118.747 120.200 -0.055 0.000 2.508 1158 E HA 0.242 4.595 4.350 0.004 0.000 0.217 1158 E C -0.462 176.104 176.600 -0.058 0.000 0.896 1158 E CA -0.273 56.084 56.400 -0.072 0.000 1.118 1158 E CB 0.296 29.928 29.700 -0.114 0.000 1.133 1158 E HN 0.382 nan 8.360 nan 0.000 0.526 1159 I N 1.848 122.393 120.570 -0.041 0.000 2.465 1159 I HA 0.295 4.467 4.170 0.004 0.000 0.291 1159 I C -0.056 176.055 176.117 -0.010 0.000 1.014 1159 I CA -0.933 60.352 61.300 -0.025 0.000 1.093 1159 I CB 1.600 39.591 38.000 -0.016 0.000 1.267 1159 I HN -0.015 nan 8.210 nan 0.000 0.431 1160 S N 3.292 118.987 115.700 -0.008 0.000 2.617 1160 S HA 0.868 5.341 4.470 0.004 0.000 0.269 1160 S C 0.213 174.817 174.600 0.007 0.000 1.292 1160 S CA 0.515 58.714 58.200 -0.001 0.000 1.010 1160 S CB 1.319 64.517 63.200 -0.003 0.000 0.944 1160 S HN 1.044 nan 8.310 nan 0.000 0.536 1161 G N 1.852 110.659 108.800 0.012 0.000 2.498 1161 G HA2 0.267 4.229 3.960 0.004 0.000 0.181 1161 G HA3 0.267 4.229 3.960 0.004 0.000 0.181 1161 G C -1.605 173.308 174.900 0.021 0.000 1.169 1161 G CA -0.386 44.723 45.100 0.016 0.000 0.992 1161 G HN 0.842 nan 8.290 nan 0.000 0.490 1162 I N 0.470 121.055 120.570 0.025 0.000 2.693 1162 I HA 0.663 4.835 4.170 0.004 0.000 0.303 1162 I C -0.303 175.837 176.117 0.038 0.000 1.025 1162 I CA -1.155 60.164 61.300 0.032 0.000 1.086 1162 I CB 2.085 40.104 38.000 0.032 0.000 1.268 1162 I HN 0.306 nan 8.210 nan 0.000 0.440 1163 V N 5.273 125.217 119.914 0.050 0.000 2.530 1163 V HA 0.261 4.383 4.120 0.004 0.000 0.282 1163 V C 0.132 176.272 176.094 0.077 0.000 1.048 1163 V CA 0.022 62.361 62.300 0.064 0.000 0.997 1163 V CB 1.100 32.971 31.823 0.081 0.000 0.987 1163 V HN 0.697 nan 8.190 nan 0.000 0.477 1164 S N 5.342 121.088 115.700 0.077 0.000 2.620 1164 S HA 0.427 4.900 4.470 0.004 0.000 0.244 1164 S C -0.791 173.872 174.600 0.105 0.000 1.192 1164 S CA -0.605 57.650 58.200 0.091 0.000 1.148 1164 S CB 0.172 63.403 63.200 0.053 0.000 1.106 1164 S HN 0.522 nan 8.310 nan 0.000 0.474 1165 F N 3.950 123.911 119.950 0.018 0.000 2.589 1165 F HA 0.491 5.021 4.527 0.004 0.000 0.352 1165 F C 0.824 176.624 175.800 0.000 0.000 1.168 1165 F CA 1.256 59.262 58.000 0.010 0.000 1.353 1165 F CB 0.590 39.600 39.000 0.016 0.000 1.116 1165 F HN 0.627 nan 8.300 nan 0.000 0.608 1166 G N 6.125 114.434 108.800 -0.819 0.000 2.413 1166 G HA2 0.351 4.313 3.960 0.004 0.000 0.285 1166 G HA3 0.351 4.313 3.960 0.004 0.000 0.285 1166 G C -1.614 172.896 174.900 -0.650 0.000 1.337 1166 G CA -1.024 43.777 45.100 -0.497 0.000 1.324 1166 G HN 0.687 nan 8.290 nan 0.000 0.611 1167 K N 0.953 121.132 120.400 -0.367 0.000 2.209 1167 K HA 0.898 5.220 4.320 0.004 0.000 0.238 1167 K C -0.785 175.782 176.600 -0.055 0.000 1.028 1167 K CA -0.699 55.484 56.287 -0.174 0.000 0.935 1167 K CB 2.270 34.854 32.500 0.139 0.000 1.162 1167 K HN 0.445 nan 8.250 nan 0.000 0.485 1168 E N -1.416 118.768 120.200 -0.026 0.000 2.388 1168 E HA 0.114 4.466 4.350 0.004 0.000 0.280 1168 E C 0.156 176.615 176.600 -0.235 0.000 1.019 1168 E CA -0.225 56.104 56.400 -0.118 0.000 0.806 1168 E CB 1.403 30.978 29.700 -0.208 0.000 1.246 1168 E HN 0.670 nan 8.360 nan 0.000 0.443 1169 T N 1.050 115.188 114.554 -0.693 0.000 2.665 1169 T HA -0.123 4.229 4.350 0.004 0.000 0.268 1169 T C 0.563 175.106 174.700 -0.261 0.000 1.035 1169 T CA 1.711 63.531 62.100 -0.466 0.000 1.151 1169 T CB -0.089 68.339 68.868 -0.733 0.000 0.862 1169 T HN 0.229 nan 8.240 nan 0.000 0.438 1170 K N 1.832 122.058 120.400 -0.289 0.000 2.751 1170 K HA 0.511 4.833 4.320 0.004 0.000 0.252 1170 K C 0.713 177.223 176.600 -0.151 0.000 1.277 1170 K CA 0.432 56.610 56.287 -0.180 0.000 1.226 1170 K CB -0.265 32.138 32.500 -0.161 0.000 1.658 1170 K HN 0.641 nan 8.250 nan 0.000 0.303 1171 G N 1.528 110.248 108.800 -0.133 0.000 2.894 1171 G HA2 -0.354 3.608 3.960 0.004 0.000 0.247 1171 G HA3 -0.354 3.608 3.960 0.004 0.000 0.247 1171 G C -0.816 174.014 174.900 -0.117 0.000 1.442 1171 G CA -0.392 44.639 45.100 -0.115 0.000 0.897 1171 G HN 0.494 nan 8.290 nan 0.000 0.550 1172 K N -0.198 120.137 120.400 -0.108 0.000 2.414 1172 K HA 0.650 4.972 4.320 0.004 0.000 0.272 1172 K C 0.704 177.221 176.600 -0.139 0.000 0.993 1172 K CA 0.309 56.508 56.287 -0.147 0.000 0.964 1172 K CB 0.981 33.391 32.500 -0.150 0.000 0.925 1172 K HN 0.753 nan 8.250 nan 0.000 0.487 1173 R N 1.098 121.500 120.500 -0.164 0.000 2.228 1173 R HA 0.468 4.810 4.340 0.004 0.000 0.117 1173 R C -0.244 175.983 176.300 -0.122 0.000 1.672 1173 R CA 0.317 56.339 56.100 -0.129 0.000 1.446 1173 R CB 0.034 30.256 30.300 -0.130 0.000 1.215 1173 R HN 0.865 nan 8.270 nan 0.000 0.451 1174 R N -1.959 118.469 120.500 -0.120 0.000 3.772 1174 R HA -0.252 4.090 4.340 0.004 0.000 0.499 1174 R C -0.885 175.380 176.300 -0.059 0.000 0.241 1174 R CA 1.438 57.479 56.100 -0.099 0.000 1.562 1174 R CB -1.612 28.615 30.300 -0.123 0.000 0.987 1174 R HN 0.308 nan 8.270 nan 0.000 0.571 1175 L N 1.138 122.343 121.223 -0.030 0.000 2.462 1175 L HA 0.311 4.654 4.340 0.004 0.000 0.255 1175 L C -0.404 176.470 176.870 0.007 0.000 1.076 1175 L CA 0.043 54.892 54.840 0.015 0.000 0.920 1175 L CB 1.498 43.605 42.059 0.080 0.000 1.214 1175 L HN 0.648 nan 8.230 nan 0.000 0.472 1176 V N 3.948 123.857 119.914 -0.008 0.000 5.678 1176 V HA -0.263 3.860 4.120 0.004 0.000 0.205 1176 V C 0.698 176.785 176.094 -0.011 0.000 0.703 1176 V CA 1.107 63.401 62.300 -0.010 0.000 0.545 1176 V CB -2.622 29.201 31.823 -0.000 0.000 0.202 1176 V HN 0.885 nan 8.190 nan 0.000 0.481 1177 I N -0.489 120.068 120.570 -0.023 0.000 6.963 1177 I HA -0.168 4.004 4.170 0.004 0.000 0.126 1177 I C 0.624 176.742 176.117 0.001 0.000 1.830 1177 I CA 1.192 62.486 61.300 -0.010 0.000 2.046 1177 I CB -1.444 36.561 38.000 0.009 0.000 3.568 1177 I HN 1.048 nan 8.210 nan 0.000 0.172 1178 T N 5.263 119.814 114.554 -0.005 0.000 2.765 1178 T HA 0.261 4.614 4.350 0.004 0.000 0.284 1178 T C -1.956 172.755 174.700 0.018 0.000 0.946 1178 T CA -0.734 61.374 62.100 0.014 0.000 1.185 1178 T CB 0.360 69.237 68.868 0.015 0.000 0.887 1178 T HN 0.180 nan 8.240 nan 0.000 0.532 1179 P HA 0.218 nan 4.420 nan 0.000 0.271 1179 P C -0.820 176.494 177.300 0.024 0.000 1.226 1179 P CA -0.393 62.721 63.100 0.022 0.000 0.765 1179 P CB 0.643 32.353 31.700 0.017 0.000 0.835 1180 V N 4.546 124.474 119.914 0.024 0.000 2.406 1180 V HA 0.180 4.303 4.120 0.004 0.000 0.272 1180 V C 0.708 176.814 176.094 0.021 0.000 1.043 1180 V CA -0.048 62.266 62.300 0.023 0.000 0.915 1180 V CB 0.813 32.650 31.823 0.022 0.000 0.988 1180 V HN 0.626 nan 8.190 nan 0.000 0.466 1181 D N 4.370 124.782 120.400 0.020 0.000 2.494 1181 D HA 0.364 5.006 4.640 0.004 0.000 0.256 1181 D C 0.994 177.304 176.300 0.016 0.000 1.197 1181 D CA 0.064 54.074 54.000 0.017 0.000 1.096 1181 D CB 0.803 41.612 40.800 0.015 0.000 1.191 1181 D HN 0.455 nan 8.370 nan 0.000 0.608 1182 G N -1.382 107.426 108.800 0.014 0.000 3.690 1182 G HA2 0.329 4.291 3.960 0.004 0.000 0.283 1182 G HA3 0.329 4.291 3.960 0.004 0.000 0.283 1182 G C 0.327 175.235 174.900 0.013 0.000 1.057 1182 G CA 0.286 45.393 45.100 0.012 0.000 0.821 1182 G HN 0.411 nan 8.290 nan 0.000 0.526 1183 S N -0.442 115.267 115.700 0.015 0.000 4.107 1183 S HA 0.424 4.896 4.470 0.004 0.000 0.196 1183 S C -1.353 173.259 174.600 0.021 0.000 1.125 1183 S CA -0.300 57.910 58.200 0.017 0.000 1.614 1183 S CB 0.894 64.104 63.200 0.016 0.000 1.234 1183 S HN 0.013 nan 8.310 nan 0.000 0.799 1184 D N 2.450 122.867 120.400 0.029 0.000 2.471 1184 D HA 0.570 5.212 4.640 0.004 0.000 0.245 1184 D C -2.397 173.939 176.300 0.060 0.000 1.116 1184 D CA -0.980 53.043 54.000 0.038 0.000 0.853 1184 D CB 1.405 42.230 40.800 0.042 0.000 1.123 1184 D HN 0.197 nan 8.370 nan 0.000 0.540 1185 P HA 0.202 nan 4.420 nan 0.000 0.274 1185 P C -1.011 176.369 177.300 0.133 0.000 1.264 1185 P CA -0.215 62.929 63.100 0.073 0.000 0.795 1185 P CB 0.548 32.269 31.700 0.035 0.000 1.064 1186 Y N -0.855 119.435 120.300 -0.017 0.000 2.581 1186 Y HA 0.516 5.068 4.550 0.004 0.000 0.345 1186 Y C -0.669 175.217 175.900 -0.024 0.000 1.036 1186 Y CA -0.707 57.382 58.100 -0.019 0.000 1.042 1186 Y CB 2.198 40.648 38.460 -0.017 0.000 1.289 1186 Y HN 0.270 nan 8.280 nan 0.000 0.471 1187 E N 3.201 123.155 120.200 -0.410 0.000 2.321 1187 E HA 0.353 4.706 4.350 0.004 0.000 0.278 1187 E C -1.618 174.848 176.600 -0.224 0.000 0.902 1187 E CA -0.169 56.103 56.400 -0.214 0.000 0.758 1187 E CB 2.257 31.837 29.700 -0.199 0.000 1.213 1187 E HN 0.978 nan 8.360 nan 0.000 0.426 1188 E N 2.100 122.270 120.200 -0.049 0.000 3.372 1188 E HA 0.548 4.901 4.350 0.004 0.000 0.139 1188 E C -0.388 176.198 176.600 -0.023 0.000 0.919 1188 E CA -0.696 55.700 56.400 -0.008 0.000 0.891 1188 E CB 1.200 30.956 29.700 0.095 0.000 1.971 1188 E HN 0.574 nan 8.360 nan 0.000 0.384 1189 M N 0.364 119.964 119.600 0.000 0.000 2.578 1189 M HA 0.700 5.182 4.480 0.004 0.000 0.276 1189 M C -1.768 174.538 176.300 0.010 0.000 1.245 1189 M CA -0.805 54.490 55.300 -0.009 0.000 0.871 1189 M CB 2.901 35.493 32.600 -0.013 0.000 1.722 1189 M HN 0.535 nan 8.290 nan 0.000 0.473 1190 I N 1.529 122.106 120.570 0.012 0.000 2.731 1190 I HA 0.522 4.695 4.170 0.004 0.000 0.289 1190 I C -2.727 173.426 176.117 0.060 0.000 1.399 1190 I CA -1.428 59.895 61.300 0.037 0.000 1.048 1190 I CB 2.788 40.805 38.000 0.029 0.000 1.345 1190 I HN 0.612 nan 8.210 nan 0.000 0.425 1191 P HA 0.095 nan 4.420 nan 0.000 0.269 1191 P C -0.433 176.954 177.300 0.145 0.000 1.205 1191 P CA -0.026 63.221 63.100 0.245 0.000 0.780 1191 P CB 0.479 32.452 31.700 0.455 0.000 0.858 1192 K N 0.310 120.691 120.400 -0.033 0.000 2.487 1192 K HA 0.035 4.358 4.320 0.004 0.000 0.192 1192 K C 0.534 177.000 176.600 -0.223 0.000 1.027 1192 K CA 0.441 56.598 56.287 -0.217 0.000 1.054 1192 K CB -0.048 32.212 32.500 -0.402 0.000 0.824 1192 K HN 0.530 nan 8.250 nan 0.000 0.510 1193 W N 2.304 123.601 121.300 -0.005 0.000 3.314 1193 W HA 0.116 4.778 4.660 0.004 0.000 0.413 1193 W C 0.018 176.536 176.519 -0.001 0.000 1.007 1193 W CA -0.312 57.033 57.345 -0.001 0.000 1.881 1193 W CB -0.426 29.034 29.460 -0.001 0.000 0.928 1193 W HN -0.016 nan 8.180 nan 0.000 0.818 1194 R N 1.615 122.186 120.500 0.119 0.000 2.480 1194 R HA 0.211 4.553 4.340 0.004 0.000 0.306 1194 R C -0.516 175.803 176.300 0.031 0.000 0.958 1194 R CA -0.441 55.705 56.100 0.077 0.000 0.861 1194 R CB 1.670 32.004 30.300 0.057 0.000 1.171 1194 R HN 0.056 nan 8.270 nan 0.000 0.445 1195 Q N 4.304 124.122 119.800 0.029 0.000 2.267 1195 Q HA 0.174 4.516 4.340 0.004 0.000 0.255 1195 Q C -0.828 175.158 176.000 -0.024 0.000 0.923 1195 Q CA -0.743 55.063 55.803 0.005 0.000 0.925 1195 Q CB 1.186 29.934 28.738 0.015 0.000 1.195 1195 Q HN 0.559 nan 8.270 nan 0.000 0.417 1196 L N 4.089 125.283 121.223 -0.050 0.000 2.426 1196 L HA 0.119 4.461 4.340 0.004 0.000 0.271 1196 L C 0.043 176.801 176.870 -0.187 0.000 1.169 1196 L CA 0.797 55.571 54.840 -0.110 0.000 0.836 1196 L CB 0.788 42.776 42.059 -0.119 0.000 1.112 1196 L HN 0.874 nan 8.230 nan 0.000 0.465 1197 N N 2.447 121.002 118.700 -0.241 0.000 2.804 1197 N HA 0.031 4.774 4.740 0.004 0.000 0.250 1197 N C -0.577 174.666 175.510 -0.445 0.000 1.024 1197 N CA 0.528 53.418 53.050 -0.267 0.000 0.995 1197 N CB 0.304 38.721 38.487 -0.116 0.000 1.690 1197 N HN 0.352 nan 8.380 nan 0.000 0.515 1198 V N 2.222 121.947 119.914 -0.315 0.000 2.465 1198 V HA 0.425 4.548 4.120 0.004 0.000 0.279 1198 V C -0.355 175.553 176.094 -0.310 0.000 1.045 1198 V CA -0.514 61.640 62.300 -0.243 0.000 0.938 1198 V CB -0.104 31.677 31.823 -0.070 0.000 0.986 1198 V HN 0.095 nan 8.190 nan 0.000 0.467 1199 F N 3.440 123.405 119.950 0.026 0.000 2.272 1199 F HA 0.498 5.027 4.527 0.004 0.000 0.316 1199 F C 1.041 176.861 175.800 0.033 0.000 1.068 1199 F CA -0.580 57.434 58.000 0.023 0.000 1.114 1199 F CB 0.274 39.278 39.000 0.007 0.000 1.611 1199 F HN 0.457 nan 8.300 nan 0.000 0.519 1200 E N -0.458 119.902 120.200 0.267 0.000 2.369 1200 E HA 0.370 4.722 4.350 0.004 0.000 0.255 1200 E C 0.181 176.855 176.600 0.124 0.000 1.172 1200 E CA 0.285 56.779 56.400 0.157 0.000 0.932 1200 E CB 0.377 30.151 29.700 0.124 0.000 1.040 1200 E HN 0.792 nan 8.360 nan 0.000 0.454 1201 G N 1.764 110.618 108.800 0.090 0.000 2.333 1201 G HA2 -0.234 3.728 3.960 0.004 0.000 0.296 1201 G HA3 -0.234 3.728 3.960 0.004 0.000 0.296 1201 G C -0.559 174.383 174.900 0.069 0.000 1.059 1201 G CA 0.069 45.210 45.100 0.068 0.000 1.050 1201 G HN 0.310 nan 8.290 nan 0.000 0.508 1202 E N -0.378 119.864 120.200 0.069 0.000 2.241 1202 E HA 0.280 4.632 4.350 0.004 0.000 0.263 1202 E C -0.133 176.494 176.600 0.045 0.000 0.882 1202 E CA -1.066 55.371 56.400 0.061 0.000 0.769 1202 E CB 1.285 31.029 29.700 0.073 0.000 1.185 1202 E HN 0.188 nan 8.360 nan 0.000 0.415 1203 R N 2.880 123.403 120.500 0.038 0.000 2.612 1203 R HA 0.191 4.534 4.340 0.004 0.000 0.273 1203 R C -0.857 175.458 176.300 0.025 0.000 1.376 1203 R CA -0.163 55.954 56.100 0.029 0.000 1.171 1203 R CB -0.444 29.872 30.300 0.026 0.000 1.151 1203 R HN 0.297 nan 8.270 nan 0.000 0.560 1204 V N 3.967 123.893 119.914 0.021 0.000 2.483 1204 V HA 0.354 4.476 4.120 0.004 0.000 0.295 1204 V C 0.015 176.112 176.094 0.005 0.000 1.035 1204 V CA -0.509 61.799 62.300 0.013 0.000 0.896 1204 V CB 1.772 33.602 31.823 0.012 0.000 0.986 1204 V HN 0.725 nan 8.190 nan 0.000 0.447 1205 E N 4.345 124.544 120.200 -0.002 0.000 2.961 1205 E HA 0.451 4.803 4.350 0.004 0.000 0.254 1205 E C -0.510 176.076 176.600 -0.023 0.000 1.192 1205 E CA -1.016 55.378 56.400 -0.010 0.000 1.069 1205 E CB 0.959 30.654 29.700 -0.008 0.000 1.338 1205 E HN 0.656 nan 8.360 nan 0.000 0.596 1206 R N -0.546 119.935 120.500 -0.032 0.000 2.357 1206 R HA 0.290 4.633 4.340 0.004 0.000 0.296 1206 R C 0.400 176.660 176.300 -0.066 0.000 1.052 1206 R CA 1.030 57.102 56.100 -0.047 0.000 0.988 1206 R CB 0.351 30.623 30.300 -0.047 0.000 1.025 1206 R HN 0.744 nan 8.270 nan 0.000 0.469 1207 G N 2.912 111.661 108.800 -0.086 0.000 2.284 1207 G HA2 -0.260 3.702 3.960 0.004 0.000 0.216 1207 G HA3 -0.260 3.702 3.960 0.004 0.000 0.216 1207 G C -0.226 174.579 174.900 -0.158 0.000 1.009 1207 G CA 0.131 45.153 45.100 -0.130 0.000 0.625 1207 G HN 0.675 nan 8.290 nan 0.000 0.501 1208 D N 1.283 121.624 120.400 -0.099 0.000 2.383 1208 D HA 0.386 5.028 4.640 0.004 0.000 0.252 1208 D C 0.959 177.216 176.300 -0.071 0.000 1.166 1208 D CA 0.252 54.207 54.000 -0.075 0.000 0.879 1208 D CB 1.328 42.111 40.800 -0.028 0.000 1.164 1208 D HN 0.658 nan 8.370 nan 0.000 0.462 1209 V N 6.434 126.308 119.914 -0.066 0.000 2.539 1209 V HA -0.080 4.043 4.120 0.004 0.000 0.300 1209 V C 1.076 177.167 176.094 -0.005 0.000 1.019 1209 V CA 0.215 62.500 62.300 -0.025 0.000 1.160 1209 V CB -0.078 31.791 31.823 0.077 0.000 0.901 1209 V HN 0.493 nan 8.190 nan 0.000 0.481 1210 I N 4.901 125.463 120.570 -0.015 0.000 2.628 1210 I HA 0.039 4.211 4.170 0.004 0.000 0.255 1210 I C 1.829 177.933 176.117 -0.022 0.000 1.119 1210 I CA 1.345 62.634 61.300 -0.018 0.000 1.448 1210 I CB -0.811 37.177 38.000 -0.019 0.000 1.133 1210 I HN 0.763 nan 8.210 nan 0.000 0.438 1211 S N 0.384 116.079 115.700 -0.008 0.000 3.164 1211 S HA 0.150 4.622 4.470 0.004 0.000 0.198 1211 S C -0.290 174.315 174.600 0.008 0.000 1.108 1211 S CA -0.044 58.152 58.200 -0.006 0.000 1.501 1211 S CB 0.171 63.377 63.200 0.009 0.000 0.788 1211 S HN 0.464 nan 8.310 nan 0.000 0.552 1212 D N -1.578 118.837 120.400 0.024 0.000 2.592 1212 D HA 0.599 5.241 4.640 0.004 0.000 0.263 1212 D C 0.417 176.749 176.300 0.053 0.000 1.132 1212 D CA 0.191 54.213 54.000 0.036 0.000 0.996 1212 D CB 0.446 41.261 40.800 0.024 0.000 1.442 1212 D HN 0.931 nan 8.370 nan 0.000 0.486 1213 G N -0.406 108.427 108.800 0.055 0.000 2.645 1213 G HA2 -0.118 3.844 3.960 0.004 0.000 0.239 1213 G HA3 -0.118 3.844 3.960 0.004 0.000 0.239 1213 G C -2.489 172.467 174.900 0.093 0.000 1.331 1213 G CA -0.404 44.730 45.100 0.057 0.000 0.890 1213 G HN 0.718 nan 8.290 nan 0.000 0.572 1214 P HA 0.454 nan 4.420 nan 0.000 0.271 1214 P C -0.211 177.183 177.300 0.158 0.000 1.238 1214 P CA 0.345 63.526 63.100 0.136 0.000 0.794 1214 P CB 0.762 32.521 31.700 0.099 0.000 0.959 1215 E N -0.195 120.122 120.200 0.196 0.000 2.331 1215 E HA 0.576 4.928 4.350 0.004 0.000 0.275 1215 E C -1.412 175.217 176.600 0.048 0.000 0.895 1215 E CA -0.968 55.483 56.400 0.084 0.000 0.753 1215 E CB 1.283 30.960 29.700 -0.038 0.000 1.216 1215 E HN 0.389 nan 8.360 nan 0.000 0.434 1216 A N 5.643 128.474 122.820 0.018 0.000 2.505 1216 A HA 0.265 4.588 4.320 0.004 0.000 0.271 1216 A C -1.781 175.798 177.584 -0.010 0.000 1.112 1216 A CA -0.681 51.378 52.037 0.037 0.000 0.781 1216 A CB -0.137 18.891 19.000 0.047 0.000 1.059 1216 A HN 0.627 nan 8.150 nan 0.000 0.508 1217 P HA -0.157 nan 4.420 nan 0.000 0.217 1217 P C 1.018 178.205 177.300 -0.188 0.000 1.150 1217 P CA 1.380 64.397 63.100 -0.138 0.000 0.832 1217 P CB 0.007 31.582 31.700 -0.207 0.000 0.787 1218 H N -1.422 117.634 119.070 -0.024 0.000 2.495 1218 H HA -0.052 4.506 4.556 0.004 0.000 0.287 1218 H C 1.537 176.842 175.328 -0.038 0.000 1.033 1218 H CA 1.174 57.208 56.048 -0.024 0.000 1.307 1218 H CB -0.294 29.460 29.762 -0.012 0.000 1.401 1218 H HN 0.190 nan 8.280 nan 0.000 0.555 1219 D N 1.539 121.972 120.400 0.055 0.000 2.110 1219 D HA -0.099 4.544 4.640 0.004 0.000 0.202 1219 D C 2.256 178.527 176.300 -0.049 0.000 0.975 1219 D CA 0.742 54.742 54.000 -0.001 0.000 0.839 1219 D CB -0.107 40.684 40.800 -0.015 0.000 0.996 1219 D HN 0.487 nan 8.370 nan 0.000 0.464 1220 I N -1.251 119.263 120.570 -0.093 0.000 3.001 1220 I HA -0.016 4.156 4.170 0.004 0.000 0.268 1220 I C 1.980 178.029 176.117 -0.113 0.000 1.267 1220 I CA 0.366 61.587 61.300 -0.132 0.000 1.472 1220 I CB -0.265 37.602 38.000 -0.221 0.000 1.089 1220 I HN -0.038 nan 8.210 nan 0.000 0.468 1221 L N 1.794 122.964 121.223 -0.088 0.000 2.265 1221 L HA -0.074 4.269 4.340 0.004 0.000 0.215 1221 L C 2.521 179.359 176.870 -0.053 0.000 1.117 1221 L CA 1.546 56.342 54.840 -0.073 0.000 0.782 1221 L CB -0.777 41.250 42.059 -0.053 0.000 0.914 1221 L HN 0.167 nan 8.230 nan 0.000 0.441 1222 R N -0.968 119.504 120.500 -0.046 0.000 2.189 1222 R HA -0.006 4.336 4.340 0.004 0.000 0.223 1222 R C 1.710 177.978 176.300 -0.054 0.000 1.092 1222 R CA 0.914 56.989 56.100 -0.041 0.000 0.989 1222 R CB -0.371 29.906 30.300 -0.038 0.000 0.876 1222 R HN 0.398 nan 8.270 nan 0.000 0.457 1223 L N -0.336 120.846 121.223 -0.068 0.000 2.638 1223 L HA 0.142 4.485 4.340 0.004 0.000 0.195 1223 L C 1.837 178.654 176.870 -0.089 0.000 1.065 1223 L CA 0.462 55.261 54.840 -0.068 0.000 0.859 1223 L CB -0.232 41.789 42.059 -0.064 0.000 1.269 1223 L HN -0.086 nan 8.230 nan 0.000 0.484 1224 R N 1.013 121.441 120.500 -0.121 0.000 2.113 1224 R HA -0.094 4.249 4.340 0.004 0.000 0.244 1224 R C 1.533 177.694 176.300 -0.232 0.000 1.142 1224 R CA 1.301 57.291 56.100 -0.183 0.000 0.953 1224 R CB -1.051 29.135 30.300 -0.190 0.000 0.860 1224 R HN 0.619 nan 8.270 nan 0.000 0.438 1225 G N -1.279 107.431 108.800 -0.151 0.000 3.226 1225 G HA2 -0.347 3.615 3.960 0.004 0.000 0.270 1225 G HA3 -0.347 3.615 3.960 0.004 0.000 0.270 1225 G C 0.770 175.609 174.900 -0.103 0.000 1.592 1225 G CA 0.275 45.311 45.100 -0.107 0.000 1.055 1225 G HN 0.189 nan 8.290 nan 0.000 0.582 1226 V N 0.227 120.069 119.914 -0.120 0.000 3.177 1226 V HA 0.209 4.332 4.120 0.004 0.000 0.219 1226 V C 1.847 177.894 176.094 -0.078 0.000 1.344 1226 V CA 1.966 64.229 62.300 -0.062 0.000 1.324 1226 V CB -0.022 31.812 31.823 0.018 0.000 1.165 1226 V HN 1.005 nan 8.190 nan 0.000 0.510 1227 H N 1.014 120.074 119.070 -0.016 0.000 2.543 1227 H HA 0.240 4.798 4.556 0.004 0.000 0.286 1227 H C 1.591 176.914 175.328 -0.009 0.000 1.037 1227 H CA 1.863 57.902 56.048 -0.016 0.000 1.250 1227 H CB -0.112 29.642 29.762 -0.014 0.000 1.373 1227 H HN 0.393 nan 8.280 nan 0.000 0.580 1228 A N 0.560 123.106 122.820 -0.457 0.000 1.984 1228 A HA 0.155 4.477 4.320 0.004 0.000 0.203 1228 A C 2.251 179.762 177.584 -0.122 0.000 1.292 1228 A CA 0.492 52.367 52.037 -0.270 0.000 0.782 1228 A CB -0.644 18.127 19.000 -0.382 0.000 0.924 1228 A HN 0.290 nan 8.150 nan 0.000 0.475 1229 V N 0.423 120.249 119.914 -0.146 0.000 2.626 1229 V HA -0.151 3.972 4.120 0.004 0.000 0.252 1229 V C 2.324 178.406 176.094 -0.021 0.000 1.067 1229 V CA 2.929 65.178 62.300 -0.084 0.000 1.081 1229 V CB -0.651 31.105 31.823 -0.112 0.000 0.686 1229 V HN 0.599 nan 8.190 nan 0.000 0.468 1230 T N -0.088 114.443 114.554 -0.038 0.000 2.809 1230 T HA -0.126 4.227 4.350 0.004 0.000 0.260 1230 T C 1.943 176.636 174.700 -0.012 0.000 1.039 1230 T CA 1.574 63.654 62.100 -0.034 0.000 1.141 1230 T CB -0.287 68.557 68.868 -0.039 0.000 0.869 1230 T HN 0.484 nan 8.240 nan 0.000 0.437 1231 R N -0.370 120.136 120.500 0.009 0.000 2.152 1231 R HA -0.129 4.213 4.340 0.004 0.000 0.232 1231 R C 2.214 178.536 176.300 0.037 0.000 1.117 1231 R CA 1.197 57.307 56.100 0.016 0.000 0.981 1231 R CB -0.352 29.968 30.300 0.032 0.000 0.870 1231 R HN 0.491 nan 8.270 nan 0.000 0.451 1232 Y N 0.711 120.981 120.300 -0.051 0.000 2.130 1232 Y HA -0.159 4.394 4.550 0.004 0.000 0.287 1232 Y C 2.068 177.945 175.900 -0.038 0.000 1.124 1232 Y CA 1.850 59.926 58.100 -0.040 0.000 1.118 1232 Y CB -0.263 38.169 38.460 -0.047 0.000 0.994 1232 Y HN 0.048 nan 8.280 nan 0.000 0.497 1233 I N -0.771 119.837 120.570 0.064 0.000 2.361 1233 I HA -0.243 3.930 4.170 0.004 0.000 0.251 1233 I C 1.735 177.783 176.117 -0.115 0.000 1.133 1233 I CA 1.133 62.408 61.300 -0.043 0.000 1.413 1233 I CB -0.152 37.819 38.000 -0.047 0.000 1.073 1233 I HN 0.192 nan 8.210 nan 0.000 0.424 1234 V N 1.504 121.358 119.914 -0.099 0.000 2.323 1234 V HA -0.225 3.897 4.120 0.004 0.000 0.244 1234 V C 2.064 178.120 176.094 -0.062 0.000 1.041 1234 V CA 1.994 64.244 62.300 -0.083 0.000 1.025 1234 V CB -0.930 30.849 31.823 -0.072 0.000 0.656 1234 V HN 0.463 nan 8.190 nan 0.000 0.451 1235 N N 0.036 118.682 118.700 -0.091 0.000 2.270 1235 N HA -0.133 4.609 4.740 0.004 0.000 0.181 1235 N C 1.814 177.254 175.510 -0.117 0.000 1.016 1235 N CA 1.041 54.039 53.050 -0.088 0.000 0.870 1235 N CB -0.294 38.139 38.487 -0.089 0.000 0.979 1235 N HN 0.523 nan 8.380 nan 0.000 0.431 1236 E N 0.781 120.845 120.200 -0.226 0.000 2.110 1236 E HA -0.061 4.291 4.350 0.004 0.000 0.193 1236 E C 1.620 178.191 176.600 -0.048 0.000 0.988 1236 E CA 0.689 56.947 56.400 -0.237 0.000 0.804 1236 E CB -0.092 29.360 29.700 -0.414 0.000 0.745 1236 E HN 0.068 nan 8.360 nan 0.000 0.458 1237 V N 0.932 120.869 119.914 0.038 0.000 2.548 1237 V HA -0.163 3.959 4.120 0.004 0.000 0.249 1237 V C 1.967 178.211 176.094 0.251 0.000 1.055 1237 V CA 1.494 63.910 62.300 0.195 0.000 1.065 1237 V CB -0.455 31.556 31.823 0.314 0.000 0.681 1237 V HN 0.290 nan 8.190 nan 0.000 0.462 1238 Q N -0.204 119.679 119.800 0.137 0.000 2.515 1238 Q HA -0.097 4.245 4.340 0.004 0.000 0.212 1238 Q C 1.407 177.475 176.000 0.113 0.000 0.970 1238 Q CA 0.703 56.587 55.803 0.135 0.000 0.941 1238 Q CB -0.120 28.649 28.738 0.052 0.000 0.998 1238 Q HN 0.652 nan 8.270 nan 0.000 0.518 1239 D N -0.336 120.107 120.400 0.072 0.000 2.201 1239 D HA -0.093 4.549 4.640 0.004 0.000 0.209 1239 D C 2.014 178.324 176.300 0.018 0.000 0.961 1239 D CA 0.966 54.983 54.000 0.027 0.000 0.861 1239 D CB 0.044 40.837 40.800 -0.013 0.000 0.997 1239 D HN 0.219 nan 8.370 nan 0.000 0.486 1240 V N -1.149 118.760 119.914 -0.007 0.000 2.667 1240 V HA -0.140 3.982 4.120 0.004 0.000 0.252 1240 V C 1.694 177.674 176.094 -0.190 0.000 1.065 1240 V CA 1.112 63.336 62.300 -0.128 0.000 1.083 1240 V CB -1.251 30.433 31.823 -0.231 0.000 0.692 1240 V HN 0.087 nan 8.190 nan 0.000 0.468 1241 Y N 0.165 120.466 120.300 0.001 0.000 2.490 1241 Y HA 0.292 4.844 4.550 0.003 0.000 0.281 1241 Y C 2.545 178.444 175.900 -0.002 0.000 1.174 1241 Y CA 0.677 58.776 58.100 -0.000 0.000 1.295 1241 Y CB -0.079 38.382 38.460 0.001 0.000 1.062 1241 Y HN 0.190 nan 8.280 nan 0.000 0.522 1242 R N 0.235 120.800 120.500 0.108 0.000 2.112 1242 R HA 0.008 4.351 4.340 0.004 0.000 0.216 1242 R C 1.798 178.120 176.300 0.036 0.000 1.080 1242 R CA 0.750 56.889 56.100 0.065 0.000 0.996 1242 R CB -0.567 29.760 30.300 0.046 0.000 0.902 1242 R HN 0.318 nan 8.270 nan 0.000 0.449 1243 L N 0.473 121.705 121.223 0.016 0.000 2.240 1243 L HA 0.005 4.347 4.340 0.004 0.000 0.211 1243 L C 1.561 178.434 176.870 0.005 0.000 1.106 1243 L CA 1.495 56.337 54.840 0.005 0.000 0.793 1243 L CB -0.264 41.789 42.059 -0.009 0.000 0.927 1243 L HN 0.146 nan 8.230 nan 0.000 0.446 1244 Q N 0.040 119.842 119.800 0.004 0.000 1.993 1244 Q HA 0.009 4.352 4.340 0.004 0.000 0.202 1244 Q C 1.794 177.809 176.000 0.025 0.000 0.984 1244 Q CA 1.644 57.453 55.803 0.010 0.000 0.837 1244 Q CB -0.478 28.270 28.738 0.016 0.000 0.902 1244 Q HN 0.600 nan 8.270 nan 0.000 0.423 1245 G N -0.396 108.427 108.800 0.039 0.000 2.624 1245 G HA2 -0.187 3.775 3.960 0.004 0.000 0.190 1245 G HA3 -0.187 3.775 3.960 0.004 0.000 0.190 1245 G C 0.264 175.186 174.900 0.037 0.000 1.008 1245 G CA 0.059 45.178 45.100 0.032 0.000 0.731 1245 G HN 0.329 nan 8.290 nan 0.000 0.478 1246 V N -0.441 119.506 119.914 0.056 0.000 2.775 1246 V HA 0.749 4.872 4.120 0.004 0.000 0.299 1246 V C -0.094 176.025 176.094 0.042 0.000 1.062 1246 V CA -0.827 61.502 62.300 0.049 0.000 1.063 1246 V CB 1.547 33.412 31.823 0.070 0.000 0.994 1246 V HN 0.157 nan 8.190 nan 0.000 0.483 1247 K N 4.570 124.975 120.400 0.009 0.000 2.244 1247 K HA 0.679 5.001 4.320 0.004 0.000 0.260 1247 K C -0.976 175.604 176.600 -0.033 0.000 0.951 1247 K CA -0.375 55.911 56.287 -0.001 0.000 0.826 1247 K CB 2.486 34.985 32.500 -0.002 0.000 1.108 1247 K HN 0.932 nan 8.250 nan 0.000 0.433 1248 I N 1.371 121.919 120.570 -0.038 0.000 2.644 1248 I HA 0.200 4.373 4.170 0.004 0.000 0.291 1248 I C -0.952 175.168 176.117 0.004 0.000 1.180 1248 I CA -0.686 60.574 61.300 -0.067 0.000 1.040 1248 I CB 1.972 39.864 38.000 -0.181 0.000 1.255 1248 I HN 0.595 nan 8.210 nan 0.000 0.422 1249 N N 4.674 123.432 118.700 0.097 0.000 2.492 1249 N HA -0.014 4.728 4.740 0.004 0.000 0.262 1249 N C 0.490 176.080 175.510 0.134 0.000 1.202 1249 N CA -0.205 52.921 53.050 0.126 0.000 0.926 1249 N CB 0.811 39.388 38.487 0.151 0.000 1.078 1249 N HN 0.644 nan 8.380 nan 0.000 0.454 1250 D N 3.122 123.536 120.400 0.024 0.000 2.371 1250 D HA -0.144 4.498 4.640 0.004 0.000 0.221 1250 D C 0.649 176.913 176.300 -0.061 0.000 0.986 1250 D CA 1.144 55.139 54.000 -0.007 0.000 0.899 1250 D CB 0.009 40.790 40.800 -0.032 0.000 0.902 1250 D HN 0.476 nan 8.370 nan 0.000 0.530 1251 K N -0.370 119.943 120.400 -0.145 0.000 2.504 1251 K HA -0.054 4.268 4.320 0.004 0.000 0.195 1251 K C 1.290 177.720 176.600 -0.285 0.000 1.036 1251 K CA 0.478 56.544 56.287 -0.369 0.000 0.984 1251 K CB -0.080 32.005 32.500 -0.691 0.000 0.788 1251 K HN 0.436 nan 8.250 nan 0.000 0.488 1252 H N -0.335 118.722 119.070 -0.023 0.000 2.551 1252 H HA 0.103 4.662 4.556 0.005 0.000 0.266 1252 H C 1.653 176.993 175.328 0.020 0.000 0.977 1252 H CA 0.765 56.837 56.048 0.041 0.000 1.163 1252 H CB 0.440 30.216 29.762 0.023 0.000 1.381 1252 H HN 0.187 nan 8.280 nan 0.000 0.581 1253 I N -0.244 120.367 120.570 0.068 0.000 3.616 1253 I HA -0.040 4.132 4.170 0.004 0.000 0.296 1253 I C 1.585 177.669 176.117 -0.055 0.000 1.226 1253 I CA 0.257 61.567 61.300 0.016 0.000 1.394 1253 I CB 0.173 38.173 38.000 -0.001 0.000 1.171 1253 I HN 0.008 nan 8.210 nan 0.000 0.442 1254 E N 1.247 121.398 120.200 -0.081 0.000 2.409 1254 E HA -0.125 4.227 4.350 0.004 0.000 0.198 1254 E C 2.040 178.594 176.600 -0.077 0.000 1.024 1254 E CA 1.118 57.456 56.400 -0.102 0.000 0.861 1254 E CB 0.150 29.762 29.700 -0.148 0.000 0.788 1254 E HN 0.508 nan 8.360 nan 0.000 0.521 1255 V N -1.306 118.586 119.914 -0.037 0.000 3.307 1255 V HA 0.030 4.152 4.120 0.004 0.000 0.253 1255 V C 1.907 178.009 176.094 0.013 0.000 1.149 1255 V CA 0.542 62.849 62.300 0.012 0.000 1.112 1255 V CB -0.463 31.411 31.823 0.085 0.000 0.777 1255 V HN 0.295 nan 8.190 nan 0.000 0.464 1256 I N -2.370 118.200 120.570 -0.001 0.000 3.854 1256 I HA 0.215 4.387 4.170 0.004 0.000 0.312 1256 I C 2.018 178.095 176.117 -0.067 0.000 1.273 1256 I CA 0.489 61.787 61.300 -0.003 0.000 1.298 1256 I CB 0.118 38.146 38.000 0.045 0.000 1.071 1256 I HN 0.050 nan 8.210 nan 0.000 0.428 1257 V N 1.584 121.433 119.914 -0.108 0.000 2.591 1257 V HA -0.037 4.086 4.120 0.004 0.000 0.249 1257 V C 2.732 178.775 176.094 -0.086 0.000 1.053 1257 V CA 1.260 63.477 62.300 -0.138 0.000 1.068 1257 V CB -0.812 30.916 31.823 -0.159 0.000 0.689 1257 V HN 0.431 nan 8.190 nan 0.000 0.462 1258 R N 0.372 120.834 120.500 -0.064 0.000 2.152 1258 R HA -0.149 4.193 4.340 0.004 0.000 0.232 1258 R C 2.157 178.430 176.300 -0.045 0.000 1.117 1258 R CA 1.252 57.321 56.100 -0.052 0.000 0.981 1258 R CB -0.243 30.029 30.300 -0.046 0.000 0.870 1258 R HN 0.511 nan 8.270 nan 0.000 0.451 1259 Q N -0.242 119.541 119.800 -0.028 0.000 2.226 1259 Q HA -0.107 4.235 4.340 0.004 0.000 0.204 1259 Q C 1.816 177.810 176.000 -0.009 0.000 0.975 1259 Q CA 1.181 56.982 55.803 -0.004 0.000 0.866 1259 Q CB -0.140 28.609 28.738 0.019 0.000 0.915 1259 Q HN 0.424 nan 8.270 nan 0.000 0.440 1260 M N -0.065 119.517 119.600 -0.030 0.000 2.618 1260 M HA 0.039 4.521 4.480 0.004 0.000 0.240 1260 M C 0.885 177.169 176.300 -0.027 0.000 1.123 1260 M CA 0.438 55.721 55.300 -0.028 0.000 1.060 1260 M CB 0.225 32.793 32.600 -0.054 0.000 1.535 1260 M HN 0.016 nan 8.290 nan 0.000 0.507 1261 L N -0.058 121.146 121.223 -0.032 0.000 2.818 1261 L HA 0.170 4.513 4.340 0.004 0.000 0.243 1261 L C 2.004 178.855 176.870 -0.032 0.000 1.185 1261 L CA -0.132 54.690 54.840 -0.029 0.000 0.988 1261 L CB -0.227 41.810 42.059 -0.036 0.000 1.292 1261 L HN 0.331 nan 8.230 nan 0.000 0.519 1262 R N -0.194 120.291 120.500 -0.026 0.000 2.210 1262 R HA 0.121 4.463 4.340 0.004 0.000 0.203 1262 R C 0.294 176.597 176.300 0.006 0.000 1.010 1262 R CA 0.265 56.345 56.100 -0.034 0.000 1.008 1262 R CB 0.086 30.378 30.300 -0.013 0.000 0.923 1262 R HN 0.160 nan 8.270 nan 0.000 0.469 1263 K N 0.576 120.989 120.400 0.021 0.000 2.208 1263 K HA 0.669 4.991 4.320 0.004 0.000 0.247 1263 K C -1.324 175.299 176.600 0.038 0.000 0.953 1263 K CA -0.833 55.475 56.287 0.034 0.000 0.837 1263 K CB 2.258 34.786 32.500 0.047 0.000 1.131 1263 K HN 0.155 nan 8.250 nan 0.000 0.431 1264 A N 1.427 124.271 122.820 0.041 0.000 2.550 1264 A HA 0.232 4.555 4.320 0.004 0.000 0.282 1264 A C -0.542 177.086 177.584 0.074 0.000 1.071 1264 A CA -0.604 51.474 52.037 0.068 0.000 0.838 1264 A CB 1.293 20.333 19.000 0.067 0.000 1.361 1264 A HN 0.570 nan 8.150 nan 0.000 0.408 1265 T N 1.656 116.268 114.554 0.096 0.000 2.926 1265 T HA 0.459 4.811 4.350 0.004 0.000 0.307 1265 T C -0.034 174.744 174.700 0.130 0.000 1.059 1265 T CA 0.402 62.562 62.100 0.100 0.000 1.122 1265 T CB -0.325 68.605 68.868 0.103 0.000 0.972 1265 T HN 0.384 nan 8.240 nan 0.000 0.545 1266 I N 5.548 126.186 120.570 0.113 0.000 2.336 1266 I HA 0.242 4.414 4.170 0.004 0.000 0.292 1266 I C 1.045 177.238 176.117 0.127 0.000 0.991 1266 I CA -0.091 61.282 61.300 0.122 0.000 1.227 1266 I CB 1.632 39.662 38.000 0.051 0.000 1.366 1266 I HN 0.516 nan 8.210 nan 0.000 0.466 1267 V N 4.241 124.231 119.914 0.127 0.000 2.278 1267 V HA -0.023 4.100 4.120 0.004 0.000 0.238 1267 V C 0.979 177.145 176.094 0.120 0.000 1.039 1267 V CA 0.807 63.185 62.300 0.130 0.000 1.017 1267 V CB -0.422 31.453 31.823 0.087 0.000 0.657 1267 V HN 0.840 nan 8.190 nan 0.000 0.462 1268 N N 0.658 119.400 118.700 0.070 0.000 2.431 1268 N HA 0.217 4.960 4.740 0.004 0.000 0.265 1268 N C 0.383 175.873 175.510 -0.034 0.000 1.184 1268 N CA 0.723 53.795 53.050 0.038 0.000 0.943 1268 N CB 1.381 39.885 38.487 0.029 0.000 1.080 1268 N HN 0.350 nan 8.380 nan 0.000 0.477 1269 A N 3.614 126.370 122.820 -0.107 0.000 1.858 1269 A HA 0.403 4.726 4.320 0.004 0.000 0.215 1269 A C 1.573 179.071 177.584 -0.144 0.000 1.320 1269 A CA 1.586 53.459 52.037 -0.272 0.000 0.601 1269 A CB -1.174 17.488 19.000 -0.562 0.000 0.976 1269 A HN 1.031 nan 8.150 nan 0.000 0.470 1270 G N -2.410 106.333 108.800 -0.096 0.000 3.757 1270 G HA2 -0.301 3.661 3.960 0.004 0.000 0.215 1270 G HA3 -0.301 3.661 3.960 0.004 0.000 0.215 1270 G C 1.343 176.211 174.900 -0.054 0.000 1.411 1270 G CA 1.292 46.362 45.100 -0.050 0.000 0.896 1270 G HN 1.661 nan 8.290 nan 0.000 0.581 1271 S N -0.688 114.966 115.700 -0.077 0.000 2.612 1271 S HA 0.519 4.991 4.470 0.004 0.000 0.278 1271 S C 1.219 175.767 174.600 -0.087 0.000 1.082 1271 S CA 1.320 59.482 58.200 -0.063 0.000 1.185 1271 S CB 0.052 63.228 63.200 -0.041 0.000 1.077 1271 S HN 0.805 nan 8.310 nan 0.000 0.585 1272 S N 1.393 117.013 115.700 -0.133 0.000 2.552 1272 S HA 0.379 4.851 4.470 0.004 0.000 0.271 1272 S C 0.210 174.664 174.600 -0.244 0.000 1.168 1272 S CA -0.388 57.720 58.200 -0.153 0.000 1.026 1272 S CB 0.355 63.467 63.200 -0.147 0.000 1.120 1272 S HN 0.562 nan 8.310 nan 0.000 0.514 1273 D N -1.179 119.079 120.400 -0.237 0.000 2.463 1273 D HA 0.403 5.046 4.640 0.004 0.000 0.247 1273 D C 0.024 175.971 176.300 -0.589 0.000 1.240 1273 D CA -0.098 53.752 54.000 -0.252 0.000 1.151 1273 D CB 0.103 40.896 40.800 -0.011 0.000 1.180 1273 D HN 0.421 nan 8.370 nan 0.000 0.532 1274 F N -1.118 118.842 119.950 0.017 0.000 2.964 1274 F HA 0.241 4.770 4.527 0.004 0.000 0.371 1274 F C 1.223 177.035 175.800 0.021 0.000 1.026 1274 F CA -0.307 57.705 58.000 0.020 0.000 1.106 1274 F CB 0.509 39.520 39.000 0.019 0.000 1.135 1274 F HN 0.075 nan 8.300 nan 0.000 0.557 1275 L N 0.545 121.865 121.223 0.162 0.000 2.492 1275 L HA 0.241 4.583 4.340 0.004 0.000 0.223 1275 L C 1.086 177.993 176.870 0.061 0.000 1.132 1275 L CA 0.972 55.875 54.840 0.105 0.000 0.850 1275 L CB -0.463 41.649 42.059 0.088 0.000 0.966 1275 L HN -0.167 nan 8.230 nan 0.000 0.454 1276 E N 1.012 121.232 120.200 0.032 0.000 2.437 1276 E HA 0.427 4.779 4.350 0.004 0.000 0.263 1276 E C 0.262 176.868 176.600 0.009 0.000 1.030 1276 E CA 0.811 57.211 56.400 -0.000 0.000 0.934 1276 E CB 0.306 29.984 29.700 -0.037 0.000 0.943 1276 E HN 0.275 nan 8.360 nan 0.000 0.444 1277 G N 2.098 110.894 108.800 -0.007 0.000 1.873 1277 G HA2 0.213 4.175 3.960 0.004 0.000 0.199 1277 G HA3 0.213 4.175 3.960 0.004 0.000 0.199 1277 G C -0.643 174.256 174.900 -0.001 0.000 1.821 1277 G CA -0.624 44.475 45.100 -0.003 0.000 0.955 1277 G HN 0.267 nan 8.290 nan 0.000 0.616 1278 E N 0.239 120.423 120.200 -0.026 0.000 2.762 1278 E HA 0.618 4.970 4.350 0.004 0.000 0.193 1278 E C 0.469 177.086 176.600 0.028 0.000 0.700 1278 E CA -0.788 55.612 56.400 -0.001 0.000 1.196 1278 E CB 0.084 29.758 29.700 -0.043 0.000 1.804 1278 E HN 0.505 nan 8.360 nan 0.000 0.381 1279 Q N 0.707 120.560 119.800 0.088 0.000 2.349 1279 Q HA 0.040 4.383 4.340 0.004 0.000 0.287 1279 Q C 0.556 176.640 176.000 0.141 0.000 1.044 1279 Q CA 0.281 56.161 55.803 0.128 0.000 0.918 1279 Q CB 1.138 30.024 28.738 0.247 0.000 1.242 1279 Q HN 0.477 nan 8.270 nan 0.000 0.405 1280 V N 0.468 120.402 119.914 0.034 0.000 3.461 1280 V HA 0.145 4.267 4.120 0.004 0.000 0.267 1280 V C 0.827 176.909 176.094 -0.021 0.000 1.186 1280 V CA 1.025 63.326 62.300 0.002 0.000 1.154 1280 V CB -0.095 31.730 31.823 0.004 0.000 0.802 1280 V HN 0.782 nan 8.190 nan 0.000 0.474 1281 E N 0.622 120.766 120.200 -0.094 0.000 2.515 1281 E HA 0.131 4.483 4.350 0.004 0.000 0.315 1281 E C -0.919 175.338 176.600 -0.572 0.000 1.523 1281 E CA -0.115 56.111 56.400 -0.289 0.000 1.704 1281 E CB -0.341 29.141 29.700 -0.364 0.000 1.395 1281 E HN 0.846 nan 8.360 nan 0.000 0.490 1282 Y N -1.264 118.992 120.300 -0.074 0.000 2.892 1282 Y HA 0.060 4.612 4.550 0.004 0.000 0.242 1282 Y C 1.242 177.096 175.900 -0.076 0.000 1.080 1282 Y CA -0.266 57.791 58.100 -0.073 0.000 1.147 1282 Y CB 0.522 38.928 38.460 -0.091 0.000 1.229 1282 Y HN 0.053 nan 8.280 nan 0.000 0.633 1283 S N 0.944 116.673 115.700 0.048 0.000 2.701 1283 S HA 0.018 4.491 4.470 0.004 0.000 0.220 1283 S C 1.527 176.176 174.600 0.080 0.000 0.954 1283 S CA 0.182 58.434 58.200 0.088 0.000 0.936 1283 S CB -0.124 63.161 63.200 0.141 0.000 0.777 1283 S HN 0.632 nan 8.310 nan 0.000 0.518 1284 R N -0.404 120.132 120.500 0.059 0.000 2.509 1284 R HA 0.424 4.767 4.340 0.004 0.000 0.300 1284 R C 0.847 177.181 176.300 0.056 0.000 0.985 1284 R CA 0.109 56.237 56.100 0.047 0.000 1.092 1284 R CB 0.280 30.593 30.300 0.021 0.000 1.237 1284 R HN 0.306 nan 8.270 nan 0.000 0.546 1285 V N -0.899 119.058 119.914 0.071 0.000 3.079 1285 V HA 0.126 4.248 4.120 0.004 0.000 0.232 1285 V C 0.726 176.846 176.094 0.043 0.000 1.594 1285 V CA 0.343 62.678 62.300 0.059 0.000 1.153 1285 V CB 0.589 32.456 31.823 0.074 0.000 1.049 1285 V HN 0.030 nan 8.190 nan 0.000 0.448 1286 K N 0.979 121.402 120.400 0.038 0.000 1.967 1286 K HA 0.092 4.415 4.320 0.004 0.000 0.212 1286 K C 1.914 178.551 176.600 0.062 0.000 1.044 1286 K CA 2.533 58.825 56.287 0.007 0.000 0.942 1286 K CB -0.641 31.812 32.500 -0.078 0.000 0.726 1286 K HN 0.574 nan 8.250 nan 0.000 0.440 1287 I N 0.027 120.677 120.570 0.133 0.000 2.614 1287 I HA -0.175 3.998 4.170 0.004 0.000 0.258 1287 I C 1.424 177.599 176.117 0.096 0.000 1.189 1287 I CA 0.994 62.401 61.300 0.180 0.000 1.462 1287 I CB 0.022 38.193 38.000 0.284 0.000 1.092 1287 I HN 0.152 nan 8.210 nan 0.000 0.442 1288 A N 0.224 123.088 122.820 0.073 0.000 2.169 1288 A HA -0.066 4.256 4.320 0.004 0.000 0.212 1288 A C 1.281 178.886 177.584 0.034 0.000 1.153 1288 A CA 0.322 52.388 52.037 0.048 0.000 0.756 1288 A CB -0.501 18.524 19.000 0.042 0.000 0.813 1288 A HN 0.462 nan 8.150 nan 0.000 0.471 1289 N N 0.973 119.693 118.700 0.034 0.000 3.103 1289 N HA 0.040 4.782 4.740 0.004 0.000 0.305 1289 N C 0.942 176.462 175.510 0.018 0.000 1.232 1289 N CA 0.218 53.280 53.050 0.020 0.000 1.190 1289 N CB -0.307 38.187 38.487 0.012 0.000 1.461 1289 N HN 0.698 nan 8.380 nan 0.000 0.538 1290 R N -0.479 120.032 120.500 0.018 0.000 2.562 1290 R HA 0.324 4.666 4.340 0.004 0.000 0.191 1290 R C 0.668 176.974 176.300 0.010 0.000 0.835 1290 R CA -0.071 56.038 56.100 0.014 0.000 1.036 1290 R CB 0.376 30.686 30.300 0.018 0.000 1.437 1290 R HN 0.085 nan 8.270 nan 0.000 0.654 1291 E N -0.145 120.061 120.200 0.011 0.000 2.640 1291 E HA 0.164 4.517 4.350 0.004 0.000 0.197 1291 E C 1.016 177.621 176.600 0.008 0.000 0.925 1291 E CA 0.007 56.412 56.400 0.008 0.000 1.604 1291 E CB 0.673 30.377 29.700 0.007 0.000 1.769 1291 E HN -0.005 nan 8.360 nan 0.000 0.965 1292 L N 0.973 122.202 121.223 0.010 0.000 2.269 1292 L HA 0.096 4.438 4.340 0.004 0.000 0.200 1292 L C 2.213 179.089 176.870 0.011 0.000 1.069 1292 L CA 1.279 56.125 54.840 0.010 0.000 0.804 1292 L CB -0.248 41.818 42.059 0.011 0.000 0.987 1292 L HN -0.020 nan 8.230 nan 0.000 0.468 1293 E N 0.728 120.936 120.200 0.014 0.000 1.987 1293 E HA -0.150 4.203 4.350 0.004 0.000 0.200 1293 E C 1.908 178.514 176.600 0.010 0.000 0.990 1293 E CA 1.867 58.275 56.400 0.014 0.000 0.859 1293 E CB -0.323 29.388 29.700 0.018 0.000 0.805 1293 E HN 0.244 nan 8.360 nan 0.000 0.499 1294 A N -0.528 122.297 122.820 0.008 0.000 2.267 1294 A HA 0.162 4.484 4.320 0.004 0.000 0.213 1294 A C 0.371 177.957 177.584 0.004 0.000 1.192 1294 A CA 0.606 52.646 52.037 0.005 0.000 0.851 1294 A CB -0.612 18.389 19.000 0.002 0.000 0.881 1294 A HN 0.595 nan 8.150 nan 0.000 0.494 1295 N N -1.139 117.564 118.700 0.005 0.000 2.671 1295 N HA -0.162 4.580 4.740 0.004 0.000 0.261 1295 N C 0.678 176.189 175.510 0.003 0.000 1.053 1295 N CA 0.255 53.308 53.050 0.004 0.000 0.732 1295 N CB -0.988 37.502 38.487 0.004 0.000 0.887 1295 N HN 0.437 nan 8.380 nan 0.000 0.546 1296 G N 0.847 109.648 108.800 0.002 0.000 3.159 1296 G HA2 0.033 3.995 3.960 0.004 0.000 0.232 1296 G HA3 0.033 3.995 3.960 0.004 0.000 0.232 1296 G C 0.456 175.357 174.900 0.000 0.000 1.116 1296 G CA 0.021 45.121 45.100 -0.000 0.000 0.767 1296 G HN 0.411 nan 8.290 nan 0.000 0.547 1297 K N -0.480 119.921 120.400 0.002 0.000 3.071 1297 K HA -0.155 4.167 4.320 0.004 0.000 0.265 1297 K C 0.193 176.793 176.600 0.001 0.000 1.060 1297 K CA 1.083 57.371 56.287 0.002 0.000 0.767 1297 K CB -2.627 29.875 32.500 0.002 0.000 1.241 1297 K HN 0.898 nan 8.250 nan 0.000 0.486 1298 V N -2.385 117.530 119.914 0.001 0.000 2.383 1298 V HA 0.579 4.702 4.120 0.004 0.000 0.264 1298 V C 0.850 176.945 176.094 0.002 0.000 1.001 1298 V CA -0.381 61.918 62.300 -0.002 0.000 0.828 1298 V CB 1.407 33.225 31.823 -0.008 0.000 1.069 1298 V HN 0.259 nan 8.190 nan 0.000 0.451 1299 G N 2.486 111.290 108.800 0.006 0.000 2.491 1299 G HA2 0.590 4.552 3.960 0.004 0.000 0.242 1299 G HA3 0.590 4.552 3.960 0.004 0.000 0.242 1299 G C 0.095 175.004 174.900 0.014 0.000 1.266 1299 G CA 0.115 45.223 45.100 0.013 0.000 0.844 1299 G HN 1.921 nan 8.290 nan 0.000 0.571 1300 A N 1.557 124.396 122.820 0.031 0.000 2.667 1300 A HA 0.569 4.891 4.320 0.004 0.000 0.291 1300 A C -0.024 177.613 177.584 0.087 0.000 1.123 1300 A CA -0.306 51.755 52.037 0.039 0.000 0.832 1300 A CB 0.872 19.883 19.000 0.019 0.000 1.396 1300 A HN 0.970 nan 8.150 nan 0.000 0.401 1301 T N 1.640 116.229 114.554 0.058 0.000 2.918 1301 T HA 0.575 4.927 4.350 0.004 0.000 0.302 1301 T C -0.085 174.671 174.700 0.093 0.000 1.045 1301 T CA 0.371 62.489 62.100 0.031 0.000 1.114 1301 T CB 0.046 68.889 68.868 -0.042 0.000 0.965 1301 T HN 1.040 nan 8.240 nan 0.000 0.540 1302 Y N 0.481 120.788 120.300 0.012 0.000 2.662 1302 Y HA 0.823 5.376 4.550 0.004 0.000 0.335 1302 Y C -0.568 175.343 175.900 0.019 0.000 1.066 1302 Y CA -1.292 56.818 58.100 0.017 0.000 1.116 1302 Y CB 1.127 39.596 38.460 0.016 0.000 1.308 1302 Y HN 0.495 nan 8.280 nan 0.000 0.502 1303 S N 0.595 116.408 115.700 0.189 0.000 2.541 1303 S HA 0.574 5.046 4.470 0.004 0.000 0.280 1303 S C -0.933 173.770 174.600 0.171 0.000 1.112 1303 S CA -1.054 57.200 58.200 0.088 0.000 0.925 1303 S CB 1.494 64.721 63.200 0.045 0.000 1.067 1303 S HN 0.611 nan 8.310 nan 0.000 0.479 1304 R N 1.605 122.178 120.500 0.121 0.000 2.784 1304 R HA 0.438 4.780 4.340 0.004 0.000 0.266 1304 R C -0.418 175.925 176.300 0.072 0.000 1.044 1304 R CA -0.017 56.148 56.100 0.108 0.000 1.151 1304 R CB 0.176 30.513 30.300 0.062 0.000 1.037 1304 R HN 0.513 nan 8.270 nan 0.000 0.478 1305 D N 0.608 121.042 120.400 0.057 0.000 2.686 1305 D HA 0.198 4.841 4.640 0.004 0.000 0.249 1305 D C -1.320 174.988 176.300 0.013 0.000 1.260 1305 D CA -0.425 53.606 54.000 0.052 0.000 0.910 1305 D CB 0.853 41.699 40.800 0.075 0.000 1.323 1305 D HN 0.106 nan 8.370 nan 0.000 0.561 1306 L N 5.475 126.674 121.223 -0.039 0.000 2.417 1306 L HA 0.317 4.659 4.340 0.004 0.000 0.258 1306 L C 0.449 177.253 176.870 -0.111 0.000 1.088 1306 L CA -0.454 54.326 54.840 -0.099 0.000 0.975 1306 L CB -0.068 41.891 42.059 -0.167 0.000 1.341 1306 L HN 0.478 nan 8.230 nan 0.000 0.431 1307 L N -0.002 121.222 121.223 0.002 0.000 2.600 1307 L HA 0.793 5.135 4.340 0.004 0.000 0.221 1307 L C 0.900 177.792 176.870 0.036 0.000 1.197 1307 L CA -0.472 54.410 54.840 0.070 0.000 0.838 1307 L CB 0.093 42.203 42.059 0.084 0.000 1.474 1307 L HN 0.385 nan 8.230 nan 0.000 0.514 1308 G N -0.733 108.109 108.800 0.070 0.000 2.599 1308 G HA2 0.271 4.234 3.960 0.004 0.000 0.264 1308 G HA3 0.271 4.234 3.960 0.004 0.000 0.264 1308 G C 0.811 175.734 174.900 0.039 0.000 1.200 1308 G CA -0.657 44.480 45.100 0.061 0.000 0.896 1308 G HN 0.601 nan 8.290 nan 0.000 0.536 1309 I N 0.281 120.881 120.570 0.050 0.000 2.202 1309 I HA -0.131 4.041 4.170 0.004 0.000 0.242 1309 I C 2.926 179.038 176.117 -0.008 0.000 1.091 1309 I CA 1.454 62.775 61.300 0.034 0.000 1.368 1309 I CB -1.449 36.606 38.000 0.093 0.000 1.058 1309 I HN 0.432 nan 8.210 nan 0.000 0.410 1310 T N 1.025 115.571 114.554 -0.012 0.000 2.746 1310 T HA -0.155 4.197 4.350 0.004 0.000 0.267 1310 T C 1.860 176.534 174.700 -0.043 0.000 1.039 1310 T CA 1.312 63.375 62.100 -0.063 0.000 1.142 1310 T CB -0.116 68.730 68.868 -0.037 0.000 0.866 1310 T HN 0.110 nan 8.240 nan 0.000 0.444 1311 K N 1.432 121.834 120.400 0.003 0.000 2.365 1311 K HA 0.278 4.600 4.320 0.004 0.000 0.199 1311 K C 2.230 178.846 176.600 0.027 0.000 1.045 1311 K CA 0.657 56.957 56.287 0.022 0.000 0.962 1311 K CB -0.482 32.043 32.500 0.041 0.000 0.759 1311 K HN 0.321 nan 8.250 nan 0.000 0.469 1312 A N 0.041 122.872 122.820 0.017 0.000 1.898 1312 A HA -0.129 4.194 4.320 0.004 0.000 0.216 1312 A C 2.162 179.771 177.584 0.041 0.000 1.181 1312 A CA 1.979 54.035 52.037 0.031 0.000 0.620 1312 A CB -0.605 18.408 19.000 0.022 0.000 0.819 1312 A HN 0.259 nan 8.150 nan 0.000 0.442 1313 S N -1.345 114.355 115.700 0.001 0.000 2.631 1313 S HA 0.198 4.670 4.470 0.004 0.000 0.217 1313 S C 1.470 176.104 174.600 0.057 0.000 0.958 1313 S CA 0.335 58.542 58.200 0.012 0.000 0.920 1313 S CB -0.522 62.613 63.200 -0.108 0.000 0.776 1313 S HN 0.508 nan 8.310 nan 0.000 0.517 1314 L N 0.972 122.225 121.223 0.050 0.000 2.145 1314 L HA 0.375 4.717 4.340 0.004 0.000 0.201 1314 L C 1.797 178.718 176.870 0.085 0.000 1.075 1314 L CA 0.996 55.881 54.840 0.076 0.000 0.773 1314 L CB -0.380 41.711 42.059 0.052 0.000 0.936 1314 L HN 0.352 nan 8.230 nan 0.000 0.451 1315 A N -0.005 122.862 122.820 0.078 0.000 2.648 1315 A HA 0.209 4.532 4.320 0.004 0.000 0.269 1315 A C 0.365 178.007 177.584 0.098 0.000 1.392 1315 A CA -0.172 51.914 52.037 0.082 0.000 1.019 1315 A CB -1.056 17.988 19.000 0.074 0.000 1.009 1315 A HN 0.339 nan 8.150 nan 0.000 0.565 1316 T N -0.127 114.489 114.554 0.103 0.000 2.897 1316 T HA 0.104 4.456 4.350 0.004 0.000 0.294 1316 T C 1.256 176.011 174.700 0.092 0.000 1.004 1316 T CA -0.080 62.082 62.100 0.104 0.000 1.106 1316 T CB 1.461 70.384 68.868 0.091 0.000 0.949 1316 T HN 0.646 nan 8.240 nan 0.000 0.520 1317 E N 1.912 122.163 120.200 0.085 0.000 2.130 1317 E HA -0.121 4.231 4.350 0.004 0.000 0.196 1317 E C 0.411 177.065 176.600 0.090 0.000 0.998 1317 E CA 0.694 57.142 56.400 0.081 0.000 0.806 1317 E CB 0.163 29.905 29.700 0.069 0.000 0.738 1317 E HN 0.559 nan 8.360 nan 0.000 0.459 1318 S N -0.238 115.492 115.700 0.051 0.000 2.572 1318 S HA 0.061 4.533 4.470 0.004 0.000 0.279 1318 S C 0.643 175.284 174.600 0.069 0.000 1.341 1318 S CA -0.241 57.975 58.200 0.027 0.000 1.043 1318 S CB 0.567 63.717 63.200 -0.082 0.000 0.887 1318 S HN 0.369 nan 8.310 nan 0.000 0.516 1319 F N 0.580 120.542 119.950 0.021 0.000 2.446 1319 F HA 0.326 4.855 4.527 0.005 0.000 0.292 1319 F C 1.572 177.379 175.800 0.011 0.000 1.096 1319 F CA 0.012 58.024 58.000 0.020 0.000 1.438 1319 F CB -0.329 38.680 39.000 0.016 0.000 1.107 1319 F HN 0.480 nan 8.300 nan 0.000 0.546 1320 I N 0.905 120.948 120.570 -0.879 0.000 2.676 1320 I HA -0.097 4.075 4.170 0.004 0.000 0.259 1320 I C 2.056 178.000 176.117 -0.288 0.000 1.194 1320 I CA 0.775 61.729 61.300 -0.578 0.000 1.473 1320 I CB -0.770 36.812 38.000 -0.697 0.000 1.096 1320 I HN 0.184 nan 8.210 nan 0.000 0.443 1321 S N 1.041 116.626 115.700 -0.191 0.000 2.349 1321 S HA -0.149 4.324 4.470 0.004 0.000 0.216 1321 S C 2.157 176.780 174.600 0.039 0.000 1.033 1321 S CA 1.435 59.611 58.200 -0.040 0.000 1.021 1321 S CB -0.858 62.387 63.200 0.076 0.000 0.968 1321 S HN 0.611 nan 8.310 nan 0.000 0.426 1322 A N 1.023 123.918 122.820 0.124 0.000 2.125 1322 A HA 0.196 4.519 4.320 0.004 0.000 0.219 1322 A C 2.121 179.727 177.584 0.036 0.000 1.156 1322 A CA 1.481 53.621 52.037 0.171 0.000 0.671 1322 A CB -0.752 18.323 19.000 0.124 0.000 0.794 1322 A HN 0.507 nan 8.150 nan 0.000 0.459 1323 A N 0.112 122.908 122.820 -0.040 0.000 2.016 1323 A HA 0.044 4.366 4.320 0.004 0.000 0.217 1323 A C 2.259 179.763 177.584 -0.134 0.000 1.162 1323 A CA 1.600 53.598 52.037 -0.066 0.000 0.662 1323 A CB -0.585 18.412 19.000 -0.005 0.000 0.812 1323 A HN 0.925 nan 8.150 nan 0.000 0.450 1324 S N -1.661 113.867 115.700 -0.286 0.000 2.593 1324 S HA 0.338 4.810 4.470 0.004 0.000 0.217 1324 S C 0.562 174.937 174.600 -0.375 0.000 0.966 1324 S CA -0.081 57.906 58.200 -0.355 0.000 0.914 1324 S CB -0.414 62.403 63.200 -0.639 0.000 0.776 1324 S HN 0.281 nan 8.310 nan 0.000 0.523 1325 F N 0.957 120.937 119.950 0.051 0.000 3.162 1325 F HA 0.507 5.035 4.527 0.002 0.000 0.171 1325 F C 0.622 176.211 175.800 -0.352 0.000 1.616 1325 F CA -1.225 56.784 58.000 0.015 0.000 0.939 1325 F CB -0.402 38.614 39.000 0.026 0.000 1.924 1325 F HN -0.008 nan 8.300 nan 0.000 0.267 1326 Q N 1.160 120.996 119.800 0.061 0.000 2.259 1326 Q HA 0.225 4.567 4.340 0.004 0.000 0.249 1326 Q C -0.766 175.165 176.000 -0.114 0.000 0.914 1326 Q CA -0.243 55.498 55.803 -0.104 0.000 0.904 1326 Q CB 0.880 29.618 28.738 0.000 0.000 1.213 1326 Q HN 0.495 nan 8.270 nan 0.000 0.428 1327 E N 1.601 121.703 120.200 -0.164 0.000 4.675 1327 E HA -0.235 4.117 4.350 0.004 0.000 0.163 1327 E C -0.950 175.592 176.600 -0.096 0.000 1.720 1327 E CA 0.764 57.103 56.400 -0.103 0.000 1.052 1327 E CB -0.580 29.098 29.700 -0.037 0.000 1.047 1327 E HN 0.813 nan 8.360 nan 0.000 0.344 1328 T N 1.093 115.575 114.554 -0.120 0.000 2.964 1328 T HA 0.109 4.461 4.350 0.004 0.000 0.249 1328 T C 1.419 176.150 174.700 0.052 0.000 1.000 1328 T CA 0.999 63.070 62.100 -0.048 0.000 0.992 1328 T CB 0.339 69.152 68.868 -0.092 0.000 1.087 1328 T HN 0.377 nan 8.240 nan 0.000 0.489 1329 T N 1.269 115.836 114.554 0.021 0.000 3.113 1329 T HA 0.080 4.432 4.350 0.004 0.000 0.263 1329 T C 1.828 176.562 174.700 0.056 0.000 1.143 1329 T CA 0.659 62.792 62.100 0.056 0.000 1.090 1329 T CB 0.012 68.773 68.868 -0.178 0.000 0.922 1329 T HN 0.154 nan 8.240 nan 0.000 0.521 1330 R N 1.417 121.937 120.500 0.033 0.000 2.123 1330 R HA 0.097 4.439 4.340 0.004 0.000 0.209 1330 R C 2.294 178.632 176.300 0.063 0.000 1.078 1330 R CA 0.809 56.929 56.100 0.034 0.000 1.028 1330 R CB -0.681 29.630 30.300 0.018 0.000 0.939 1330 R HN 0.331 nan 8.270 nan 0.000 0.463 1331 V N -0.701 119.262 119.914 0.082 0.000 2.667 1331 V HA -0.030 4.092 4.120 0.004 0.000 0.252 1331 V C 1.813 177.981 176.094 0.124 0.000 1.065 1331 V CA 1.117 63.486 62.300 0.115 0.000 1.083 1331 V CB -0.570 31.342 31.823 0.148 0.000 0.692 1331 V HN 0.125 nan 8.190 nan 0.000 0.468 1332 L N 1.933 123.229 121.223 0.122 0.000 2.465 1332 L HA 0.009 4.351 4.340 0.004 0.000 0.224 1332 L C 2.489 179.362 176.870 0.005 0.000 1.145 1332 L CA 2.177 57.062 54.840 0.075 0.000 0.834 1332 L CB -1.208 40.914 42.059 0.104 0.000 0.944 1332 L HN 0.784 nan 8.230 nan 0.000 0.451 1333 T N -5.696 108.877 114.554 0.031 0.000 3.000 1333 T HA 0.052 4.405 4.350 0.004 0.000 0.248 1333 T C 1.459 176.199 174.700 0.066 0.000 1.034 1333 T CA -0.085 62.037 62.100 0.036 0.000 1.060 1333 T CB 0.199 69.055 68.868 -0.020 0.000 0.983 1333 T HN 0.229 nan 8.240 nan 0.000 0.482 1334 E N 1.419 121.642 120.200 0.038 0.000 2.230 1334 E HA 0.254 4.606 4.350 0.004 0.000 0.192 1334 E C 2.194 178.777 176.600 -0.029 0.000 0.987 1334 E CA 0.716 57.130 56.400 0.023 0.000 0.841 1334 E CB -0.039 29.686 29.700 0.041 0.000 0.783 1334 E HN 0.654 nan 8.360 nan 0.000 0.481 1335 A N 0.867 123.646 122.820 -0.068 0.000 2.147 1335 A HA 0.295 4.618 4.320 0.004 0.000 0.211 1335 A C 2.148 179.597 177.584 -0.225 0.000 1.160 1335 A CA 0.747 52.683 52.037 -0.170 0.000 0.781 1335 A CB 0.052 18.863 19.000 -0.315 0.000 0.842 1335 A HN 0.223 nan 8.150 nan 0.000 0.475 1336 A N -0.376 122.351 122.820 -0.155 0.000 1.970 1336 A HA 0.155 4.478 4.320 0.004 0.000 0.216 1336 A C 2.059 179.583 177.584 -0.101 0.000 1.170 1336 A CA 1.471 53.438 52.037 -0.117 0.000 0.645 1336 A CB -0.518 18.475 19.000 -0.012 0.000 0.816 1336 A HN 0.276 nan 8.150 nan 0.000 0.447 1337 V N -0.290 119.552 119.914 -0.121 0.000 2.283 1337 V HA -0.151 3.972 4.120 0.004 0.000 0.243 1337 V C 2.965 178.891 176.094 -0.280 0.000 1.039 1337 V CA 1.965 64.100 62.300 -0.274 0.000 1.016 1337 V CB -1.076 30.479 31.823 -0.447 0.000 0.650 1337 V HN 0.550 nan 8.190 nan 0.000 0.449 1338 A N -0.638 122.057 122.820 -0.209 0.000 2.021 1338 A HA 0.388 4.711 4.320 0.004 0.000 0.216 1338 A C 1.654 179.172 177.584 -0.110 0.000 1.163 1338 A CA 1.050 52.996 52.037 -0.151 0.000 0.676 1338 A CB -0.532 18.403 19.000 -0.108 0.000 0.818 1338 A HN 1.453 nan 8.150 nan 0.000 0.453 1339 G N -0.065 108.661 108.800 -0.123 0.000 2.738 1339 G HA2 -0.133 3.829 3.960 0.004 0.000 0.262 1339 G HA3 -0.133 3.829 3.960 0.004 0.000 0.262 1339 G C -0.638 174.211 174.900 -0.084 0.000 1.032 1339 G CA 0.020 45.051 45.100 -0.114 0.000 1.278 1339 G HN 0.396 nan 8.290 nan 0.000 0.537 1340 K N 1.075 121.412 120.400 -0.104 0.000 2.276 1340 K HA 0.421 4.743 4.320 0.004 0.000 0.285 1340 K C 1.022 177.650 176.600 0.048 0.000 1.062 1340 K CA -0.324 55.957 56.287 -0.011 0.000 0.918 1340 K CB 0.760 33.292 32.500 0.052 0.000 1.055 1340 K HN 0.491 nan 8.250 nan 0.000 0.477 1341 R N 2.426 122.963 120.500 0.063 0.000 3.701 1341 R HA 0.041 4.383 4.340 0.004 0.000 0.210 1341 R C -0.419 175.954 176.300 0.123 0.000 1.598 1341 R CA -0.484 55.667 56.100 0.085 0.000 1.427 1341 R CB -0.190 30.131 30.300 0.034 0.000 1.339 1341 R HN 0.561 nan 8.270 nan 0.000 0.720 1342 D N 1.979 122.521 120.400 0.236 0.000 2.458 1342 D HA -0.052 4.590 4.640 0.004 0.000 0.243 1342 D C -0.087 176.265 176.300 0.086 0.000 1.146 1342 D CA 0.611 54.713 54.000 0.169 0.000 0.877 1342 D CB 0.837 41.739 40.800 0.169 0.000 1.176 1342 D HN 0.189 nan 8.370 nan 0.000 0.461 1343 E N 2.750 122.967 120.200 0.028 0.000 2.212 1343 E HA 0.243 4.596 4.350 0.004 0.000 0.270 1343 E C -0.194 176.399 176.600 -0.011 0.000 0.956 1343 E CA -0.850 55.552 56.400 0.002 0.000 0.825 1343 E CB 1.281 30.972 29.700 -0.015 0.000 1.167 1343 E HN 0.458 nan 8.360 nan 0.000 0.400 1344 L N 3.044 124.267 121.223 -0.000 0.000 2.536 1344 L HA 0.104 4.446 4.340 0.004 0.000 0.282 1344 L C 1.340 178.194 176.870 -0.026 0.000 1.174 1344 L CA 0.223 55.064 54.840 0.001 0.000 0.989 1344 L CB -0.189 41.892 42.059 0.036 0.000 1.311 1344 L HN 0.288 nan 8.230 nan 0.000 0.455 1345 R N 1.620 122.094 120.500 -0.043 0.000 2.507 1345 R HA 0.233 4.575 4.340 0.004 0.000 0.230 1345 R C 0.970 177.249 176.300 -0.035 0.000 0.897 1345 R CA 0.591 56.659 56.100 -0.053 0.000 1.006 1345 R CB 0.240 30.486 30.300 -0.092 0.000 1.341 1345 R HN 0.526 nan 8.270 nan 0.000 0.604 1346 G N 0.411 109.187 108.800 -0.040 0.000 2.580 1346 G HA2 0.095 4.057 3.960 0.004 0.000 0.225 1346 G HA3 0.095 4.057 3.960 0.004 0.000 0.225 1346 G C 0.363 175.277 174.900 0.024 0.000 1.521 1346 G CA 0.099 45.192 45.100 -0.012 0.000 1.068 1346 G HN 0.126 nan 8.290 nan 0.000 0.564 1347 L N -1.616 119.630 121.223 0.039 0.000 2.691 1347 L HA 0.388 4.730 4.340 0.004 0.000 0.185 1347 L C 2.237 179.123 176.870 0.027 0.000 1.081 1347 L CA 0.730 55.598 54.840 0.046 0.000 0.865 1347 L CB -0.641 41.459 42.059 0.068 0.000 1.370 1347 L HN 0.564 nan 8.230 nan 0.000 0.488 1348 K N 0.575 120.996 120.400 0.035 0.000 2.439 1348 K HA -0.100 4.222 4.320 0.004 0.000 0.197 1348 K C 1.413 177.971 176.600 -0.069 0.000 1.041 1348 K CA 0.963 57.242 56.287 -0.014 0.000 0.970 1348 K CB 0.218 32.704 32.500 -0.024 0.000 0.773 1348 K HN 0.425 nan 8.250 nan 0.000 0.479 1349 E N -0.077 120.085 120.200 -0.063 0.000 2.418 1349 E HA -0.145 4.208 4.350 0.004 0.000 0.197 1349 E C 1.319 177.882 176.600 -0.063 0.000 1.026 1349 E CA 0.535 56.878 56.400 -0.094 0.000 0.862 1349 E CB 0.055 29.699 29.700 -0.094 0.000 0.799 1349 E HN 0.245 nan 8.360 nan 0.000 0.518 1350 N N 0.213 118.893 118.700 -0.033 0.000 2.482 1350 N HA -0.073 4.670 4.740 0.004 0.000 0.179 1350 N C 1.627 177.121 175.510 -0.027 0.000 1.039 1350 N CA 0.421 53.462 53.050 -0.014 0.000 0.884 1350 N CB 0.191 38.684 38.487 0.009 0.000 1.113 1350 N HN -0.081 nan 8.380 nan 0.000 0.440 1351 V N 1.451 121.348 119.914 -0.029 0.000 2.568 1351 V HA -0.144 3.978 4.120 0.004 0.000 0.253 1351 V C 2.275 178.338 176.094 -0.051 0.000 1.072 1351 V CA 1.374 63.656 62.300 -0.032 0.000 1.084 1351 V CB -0.515 31.292 31.823 -0.027 0.000 0.676 1351 V HN 0.403 nan 8.190 nan 0.000 0.469 1352 I N -0.839 119.687 120.570 -0.073 0.000 2.584 1352 I HA -0.078 4.095 4.170 0.004 0.000 0.255 1352 I C 2.198 178.248 176.117 -0.111 0.000 1.145 1352 I CA 1.022 62.268 61.300 -0.091 0.000 1.462 1352 I CB 0.434 38.369 38.000 -0.107 0.000 1.102 1352 I HN 0.204 nan 8.210 nan 0.000 0.433 1353 V N 1.054 120.894 119.914 -0.123 0.000 2.685 1353 V HA 0.327 4.449 4.120 0.004 0.000 0.244 1353 V C 0.883 176.910 176.094 -0.110 0.000 1.054 1353 V CA 1.174 63.365 62.300 -0.181 0.000 1.076 1353 V CB -0.273 31.400 31.823 -0.250 0.000 0.725 1353 V HN 0.615 nan 8.190 nan 0.000 0.467 1354 G N 1.178 109.947 108.800 -0.052 0.000 2.860 1354 G HA2 -0.078 3.885 3.960 0.004 0.000 0.547 1354 G HA3 -0.078 3.885 3.960 0.004 0.000 0.547 1354 G C -0.428 174.481 174.900 0.016 0.000 1.103 1354 G CA 0.224 45.313 45.100 -0.018 0.000 1.126 1354 G HN 0.787 nan 8.290 nan 0.000 0.490 1355 R N 0.979 121.494 120.500 0.025 0.000 2.752 1355 R HA 0.585 4.928 4.340 0.004 0.000 0.277 1355 R C -0.700 175.621 176.300 0.035 0.000 1.024 1355 R CA -1.116 55.010 56.100 0.043 0.000 0.866 1355 R CB 0.728 31.070 30.300 0.070 0.000 1.278 1355 R HN 0.933 nan 8.270 nan 0.000 0.473 1356 L N 2.530 123.776 121.223 0.037 0.000 2.525 1356 L HA 0.151 4.493 4.340 0.004 0.000 0.278 1356 L C 0.164 177.057 176.870 0.037 0.000 1.218 1356 L CA 0.381 55.242 54.840 0.036 0.000 0.878 1356 L CB 0.268 42.349 42.059 0.037 0.000 1.127 1356 L HN 0.473 nan 8.230 nan 0.000 0.492 1357 I N 8.097 128.690 120.570 0.039 0.000 2.668 1357 I HA 0.068 4.241 4.170 0.004 0.000 0.285 1357 I C -1.590 174.562 176.117 0.059 0.000 1.168 1357 I CA -1.329 59.998 61.300 0.045 0.000 1.424 1357 I CB 0.932 38.959 38.000 0.045 0.000 1.377 1357 I HN 0.620 nan 8.210 nan 0.000 0.560 1358 P HA 0.176 nan 4.420 nan 0.000 0.269 1358 P C -0.351 177.042 177.300 0.155 0.000 1.461 1358 P CA 0.257 63.388 63.100 0.052 0.000 0.809 1358 P CB 0.153 31.867 31.700 0.023 0.000 1.503 1359 A N -2.049 120.886 122.820 0.193 0.000 2.809 1359 A HA 0.680 5.002 4.320 0.004 0.000 0.310 1359 A C 0.795 178.467 177.584 0.147 0.000 1.138 1359 A CA -0.022 52.189 52.037 0.290 0.000 0.610 1359 A CB -0.006 19.123 19.000 0.215 0.000 1.432 1359 A HN 0.246 nan 8.150 nan 0.000 0.597 1360 G N -0.831 108.008 108.800 0.066 0.000 2.686 1360 G HA2 -0.319 3.643 3.960 0.004 0.000 0.329 1360 G HA3 -0.319 3.643 3.960 0.004 0.000 0.329 1360 G C 1.249 176.134 174.900 -0.024 0.000 1.187 1360 G CA 2.156 47.257 45.100 0.002 0.000 0.965 1360 G HN 1.735 nan 8.290 nan 0.000 0.549 1361 T N 1.590 116.133 114.554 -0.019 0.000 2.812 1361 T HA 0.315 4.668 4.350 0.004 0.000 0.264 1361 T C 1.411 176.110 174.700 -0.002 0.000 1.042 1361 T CA 1.715 63.776 62.100 -0.065 0.000 1.140 1361 T CB -0.291 68.566 68.868 -0.019 0.000 0.870 1361 T HN 1.368 nan 8.240 nan 0.000 0.445 1362 G N 0.516 109.372 108.800 0.093 0.000 2.547 1362 G HA2 0.553 4.515 3.960 0.004 0.000 0.327 1362 G HA3 0.553 4.515 3.960 0.004 0.000 0.327 1362 G C -1.419 173.610 174.900 0.214 0.000 1.118 1362 G CA -0.309 44.889 45.100 0.162 0.000 1.022 1362 G HN 0.291 nan 8.290 nan 0.000 0.464 1363 Y N 1.795 122.170 120.300 0.125 0.000 2.602 1363 Y HA 0.525 5.077 4.550 0.003 0.000 0.342 1363 Y C 1.217 177.201 175.900 0.139 0.000 1.029 1363 Y CA -0.326 57.846 58.100 0.120 0.000 1.080 1363 Y CB 2.235 40.770 38.460 0.124 0.000 1.284 1363 Y HN 0.516 nan 8.280 nan 0.000 0.485 1364 A N 2.278 124.854 122.820 -0.406 0.000 1.940 1364 A HA -0.264 4.059 4.320 0.004 0.000 0.219 1364 A C 1.625 179.294 177.584 0.142 0.000 1.176 1364 A CA 2.141 54.084 52.037 -0.158 0.000 0.631 1364 A CB -1.146 17.678 19.000 -0.294 0.000 0.814 1364 A HN 0.884 nan 8.150 nan 0.000 0.446 1365 Y N -1.286 119.194 120.300 0.300 0.000 2.516 1365 Y HA -0.023 4.529 4.550 0.004 0.000 0.291 1365 Y C 2.097 178.125 175.900 0.214 0.000 1.131 1365 Y CA 1.789 60.042 58.100 0.256 0.000 1.281 1365 Y CB -0.189 38.449 38.460 0.297 0.000 1.013 1365 Y HN 0.598 nan 8.280 nan 0.000 0.554 1366 H N -1.012 118.156 119.070 0.163 0.000 2.557 1366 H HA 0.158 4.717 4.556 0.004 0.000 0.281 1366 H C 1.666 176.993 175.328 -0.002 0.000 0.990 1366 H CA 0.804 56.880 56.048 0.047 0.000 1.278 1366 H CB 0.156 30.001 29.762 0.139 0.000 1.451 1366 H HN 0.262 nan 8.280 nan 0.000 0.516 1367 Q N 0.376 120.201 119.800 0.042 0.000 2.541 1367 Q HA -0.096 4.247 4.340 0.004 0.000 0.215 1367 Q C 0.700 176.639 176.000 -0.103 0.000 0.977 1367 Q CA 0.805 56.590 55.803 -0.030 0.000 0.934 1367 Q CB 0.271 29.023 28.738 0.024 0.000 0.988 1367 Q HN 0.590 nan 8.270 nan 0.000 0.521 1368 D N 1.128 121.439 120.400 -0.148 0.000 2.091 1368 D HA -0.082 4.560 4.640 0.004 0.000 0.199 1368 D C 0.743 176.943 176.300 -0.166 0.000 0.980 1368 D CA 1.056 54.967 54.000 -0.148 0.000 0.831 1368 D CB 0.024 40.716 40.800 -0.180 0.000 0.987 1368 D HN 0.333 nan 8.370 nan 0.000 0.460 1369 R N -0.132 120.224 120.500 -0.240 0.000 2.500 1369 R HA 0.608 4.951 4.340 0.004 0.000 0.277 1369 R C 0.049 176.221 176.300 -0.214 0.000 1.026 1369 R CA -0.340 55.634 56.100 -0.209 0.000 1.058 1369 R CB 1.538 31.709 30.300 -0.215 0.000 1.078 1369 R HN -0.030 nan 8.270 nan 0.000 0.509 1370 M N 0.579 120.099 119.600 -0.133 0.000 3.161 1370 M HA 0.442 4.925 4.480 0.004 0.000 0.371 1370 M C -0.435 175.830 176.300 -0.059 0.000 1.626 1370 M CA -1.040 54.204 55.300 -0.094 0.000 0.878 1370 M CB 1.218 33.780 32.600 -0.063 0.000 2.518 1370 M HN 0.507 nan 8.290 nan 0.000 0.523 1371 R N 0.342 120.821 120.500 -0.035 0.000 2.488 1371 R HA 0.317 4.659 4.340 0.004 0.000 0.215 1371 R C -0.653 175.639 176.300 -0.014 0.000 1.293 1371 R CA 0.070 56.157 56.100 -0.022 0.000 1.343 1371 R CB 0.257 30.549 30.300 -0.013 0.000 1.425 1371 R HN 0.696 nan 8.270 nan 0.000 0.788 1372 R N -0.003 120.487 120.500 -0.016 0.000 1.895 1372 R HA 0.404 4.746 4.340 0.004 0.000 0.129 1372 R C -0.227 176.067 176.300 -0.011 0.000 2.021 1372 R CA 0.399 56.493 56.100 -0.010 0.000 1.709 1372 R CB 0.400 30.694 30.300 -0.009 0.000 1.397 1372 R HN 0.230 nan 8.270 nan 0.000 0.484 1373 R N -0.288 120.205 120.500 -0.012 0.000 3.863 1373 R HA -0.216 4.126 4.340 0.004 0.000 0.313 1373 R C 0.206 176.502 176.300 -0.007 0.000 1.202 1373 R CA 0.504 56.597 56.100 -0.011 0.000 0.852 1373 R CB -2.216 28.077 30.300 -0.013 0.000 1.292 1373 R HN 0.698 nan 8.270 nan 0.000 0.519 1374 A N -1.025 121.792 122.820 -0.005 0.000 2.799 1374 A HA -0.119 4.204 4.320 0.004 0.000 0.287 1374 A C 1.316 178.898 177.584 -0.003 0.000 1.484 1374 A CA 1.833 53.869 52.037 -0.002 0.000 0.813 1374 A CB -1.915 17.084 19.000 -0.002 0.000 1.009 1374 A HN 2.084 nan 8.150 nan 0.000 0.545 1375 A N -2.761 120.057 122.820 -0.004 0.000 2.861 1375 A HA 0.352 4.675 4.320 0.004 0.000 0.261 1375 A C 1.406 178.988 177.584 -0.005 0.000 1.351 1375 A CA 1.800 53.835 52.037 -0.004 0.000 0.904 1375 A CB -1.928 17.071 19.000 -0.002 0.000 1.076 1375 A HN 3.192 nan 8.150 nan 0.000 0.729 1376 G N -2.325 106.472 108.800 -0.005 0.000 2.189 1376 G HA2 0.104 4.066 3.960 0.004 0.000 0.113 1376 G HA3 0.104 4.066 3.960 0.004 0.000 0.113 1376 G C -0.149 174.749 174.900 -0.004 0.000 1.038 1376 G CA 0.645 45.742 45.100 -0.005 0.000 0.704 1376 G HN 1.016 nan 8.290 nan 0.000 0.490 1377 E N -1.208 118.989 120.200 -0.004 0.000 2.743 1377 E HA 0.463 4.816 4.350 0.004 0.000 0.222 1377 E C 1.346 177.944 176.600 -0.004 0.000 0.959 1377 E CA 0.490 56.888 56.400 -0.003 0.000 1.198 1377 E CB 1.008 30.707 29.700 -0.002 0.000 1.100 1377 E HN 0.688 nan 8.360 nan 0.000 0.518 1378 A N 0.935 123.752 122.820 -0.005 0.000 2.548 1378 A HA 0.249 4.571 4.320 0.004 0.000 0.236 1378 A C -1.447 176.133 177.584 -0.008 0.000 1.246 1378 A CA -0.117 51.916 52.037 -0.006 0.000 0.993 1378 A CB -0.110 18.886 19.000 -0.006 0.000 1.209 1378 A HN -0.032 nan 8.150 nan 0.000 0.570 1379 P HA -0.025 nan 4.420 nan 0.000 0.225 1379 P C 0.852 178.146 177.300 -0.009 0.000 1.148 1379 P CA 1.732 64.826 63.100 -0.010 0.000 0.779 1379 P CB 0.121 31.815 31.700 -0.010 0.000 0.780 1380 A N -1.300 121.516 122.820 -0.008 0.000 3.003 1380 A HA 0.629 4.952 4.320 0.004 0.000 0.301 1380 A C 1.383 178.964 177.584 -0.006 0.000 1.280 1380 A CA 0.322 52.355 52.037 -0.007 0.000 0.973 1380 A CB -0.550 18.447 19.000 -0.006 0.000 1.110 1380 A HN 0.133 nan 8.150 nan 0.000 0.590 1381 A N -0.029 122.787 122.820 -0.007 0.000 2.026 1381 A HA 0.488 4.810 4.320 0.004 0.000 0.198 1381 A C -0.507 177.072 177.584 -0.007 0.000 1.390 1381 A CA 0.173 52.206 52.037 -0.006 0.000 0.915 1381 A CB -1.052 17.944 19.000 -0.006 0.000 0.974 1381 A HN 0.508 nan 8.150 nan 0.000 0.477 1382 P HA 0.000 nan 4.420 nan 0.000 0.216 1382 P CA 0.000 63.094 63.100 -0.010 0.000 0.800 1382 P CB 0.000 31.693 31.700 -0.012 0.000 0.726