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 3i04_1_N DATA FIRST_RESID 2 DATA SEQUENCE TDFDKIFEGA IPEGKEPVAL FREVYHGAIT ATSYAEILLN QAIRTYGPDH DATA SEQUENCE PVGYPDTAYY LPVIRCFSGE EVKKLGDLPP ILNRKRAQVS PVLNFENARL DATA SEQUENCE AGEATWYAAE IIEALRYLKY KPDEPLLPPP WTGFIGDPVV RRFGIKMVDW DATA SEQUENCE TIPGEAIILG RAKDSKALAK IVKELMGMGF MLFICDEAVE QLLEENVKLG DATA SEQUENCE IDYIAYPLGN FTQIVHAANY ALRAGMMFGG VTPGAREEQR DYQRRRIRAF DATA SEQUENCE VLYLGEHDMV KTAAAFGAIF TGFPVITDQP LPEDKQIPDW FFSVEDYDKI DATA SEQUENCE VQIAMETRGI KLTKIKLDLP INFGPAFEGE SIRKGDMYVE MGGNRTPAFE DATA SEQUENCE LVRTVSESEI TDGKIEVIGP DIDQIPEGSK LPLGILVDIY GRKMQADFEG DATA SEQUENCE VLERRIHDFI NYGEGLWHTG QRNINWLRVS KDAVAKGFRF KNYGEILVAK DATA SEQUENCE MKEEFPAIVD RVQVTIFTDE AKVKEYMEVA REKYKERDDR MRGLTDETVD DATA SEQUENCE TFYSCVLCQS FAPNHVCIVT PERVGLCGAV SWLDAKASYE INHAGPNQPI DATA SEQUENCE PKEGEIDPIK GIWKSVNDYL YTASNRNLEQ VCLYTLMENP MTSCGCFEAI DATA SEQUENCE MAILPECNGI MITTRDHAGM TPSGMTFSTL AGMIGGGTQT PGFMGIGRTY DATA SEQUENCE IVSKKFISAD GGIARIVWMP KSLKDFLHDE FVRRSVEEGL GEDFIDKIAD DATA SEQUENCE ETIGTTVDEI LPYLEEKGHP ALTMDPIM 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.711 174.700 0.018 0.000 1.109 2 T CA 0.000 62.105 62.100 0.009 0.000 1.349 2 T CB 0.000 68.879 68.868 0.019 0.000 0.612 3 D N 0.017 120.433 120.400 0.027 0.000 2.104 3 D HA -0.120 4.521 4.640 0.001 0.000 0.194 3 D C 1.657 177.968 176.300 0.019 0.000 0.994 3 D CA 1.878 55.889 54.000 0.019 0.000 0.830 3 D CB -0.248 40.569 40.800 0.029 0.000 0.959 3 D HN 0.456 nan 8.370 nan 0.000 0.452 4 F N 1.480 121.381 119.950 -0.082 0.000 2.115 4 F HA -0.241 4.287 4.527 0.001 0.000 0.300 4 F C 1.696 177.406 175.800 -0.149 0.000 1.092 4 F CA 1.936 59.863 58.000 -0.121 0.000 1.245 4 F CB -0.367 38.546 39.000 -0.145 0.000 0.995 4 F HN -0.011 nan 8.300 nan 0.000 0.481 5 D N 0.177 120.557 120.400 -0.033 0.000 2.384 5 D HA -0.171 4.470 4.640 0.001 0.000 0.222 5 D C 2.034 178.252 176.300 -0.137 0.000 0.976 5 D CA 0.680 54.668 54.000 -0.020 0.000 0.915 5 D CB -0.376 40.445 40.800 0.034 0.000 0.896 5 D HN 0.402 nan 8.370 nan 0.000 0.523 6 K N 0.730 121.013 120.400 -0.194 0.000 2.280 6 K HA -0.099 4.222 4.320 0.001 0.000 0.202 6 K C 2.114 178.574 176.600 -0.233 0.000 1.047 6 K CA 0.421 56.614 56.287 -0.157 0.000 0.942 6 K CB -0.059 32.374 32.500 -0.112 0.000 0.739 6 K HN 0.315 nan 8.250 nan 0.000 0.457 7 I N -2.802 117.467 120.570 -0.502 0.000 2.830 7 I HA -0.122 4.049 4.170 0.001 0.000 0.263 7 I C 0.996 176.906 176.117 -0.345 0.000 1.230 7 I CA 1.088 62.087 61.300 -0.503 0.000 1.480 7 I CB -0.235 37.324 38.000 -0.735 0.000 1.095 7 I HN -0.050 nan 8.210 nan 0.000 0.455 8 F N 1.354 121.221 119.950 -0.138 0.000 2.746 8 F HA 0.280 4.808 4.527 0.001 0.000 0.297 8 F C 1.154 177.002 175.800 0.080 0.000 1.113 8 F CA -0.365 57.557 58.000 -0.131 0.000 1.367 8 F CB 0.047 38.678 39.000 -0.616 0.000 1.111 8 F HN -0.020 nan 8.300 nan 0.000 0.590 9 E N 0.496 120.790 120.200 0.157 0.000 2.376 9 E HA 0.252 4.603 4.350 0.001 0.000 0.266 9 E C 1.080 177.775 176.600 0.159 0.000 1.009 9 E CA 0.701 57.181 56.400 0.135 0.000 0.902 9 E CB 0.492 30.225 29.700 0.056 0.000 0.972 9 E HN 0.401 nan 8.360 nan 0.000 0.439 10 G N 2.617 111.515 108.800 0.165 0.000 2.159 10 G HA2 -0.386 3.575 3.960 0.001 0.000 0.256 10 G HA3 -0.386 3.575 3.960 0.001 0.000 0.256 10 G C 0.945 175.953 174.900 0.179 0.000 0.977 10 G CA 0.431 45.614 45.100 0.139 0.000 0.652 10 G HN 0.654 nan 8.290 nan 0.000 0.531 11 A N -0.527 122.469 122.820 0.294 0.000 1.898 11 A HA 0.461 4.782 4.320 0.001 0.000 0.216 11 A C 1.261 178.984 177.584 0.231 0.000 1.181 11 A CA 1.319 53.567 52.037 0.351 0.000 0.620 11 A CB -0.016 19.391 19.000 0.679 0.000 0.819 11 A HN 0.829 nan 8.150 nan 0.000 0.442 12 I N 1.481 122.183 120.570 0.220 0.000 2.297 12 I HA 0.245 4.416 4.170 0.001 0.000 0.291 12 I C -2.362 173.817 176.117 0.104 0.000 1.033 12 I CA -2.091 59.291 61.300 0.137 0.000 1.253 12 I CB 1.397 39.482 38.000 0.142 0.000 1.396 12 I HN 0.072 nan 8.210 nan 0.000 0.476 13 P HA 0.027 nan 4.420 nan 0.000 0.269 13 P C -0.265 177.063 177.300 0.046 0.000 1.209 13 P CA -0.426 62.703 63.100 0.049 0.000 0.776 13 P CB 0.477 32.195 31.700 0.030 0.000 0.876 14 E N 1.373 121.597 120.200 0.041 0.000 2.608 14 E HA 0.095 4.446 4.350 0.001 0.000 0.259 14 E C 1.061 177.677 176.600 0.028 0.000 0.951 14 E CA 0.947 57.369 56.400 0.036 0.000 0.945 14 E CB -0.473 29.244 29.700 0.028 0.000 0.916 14 E HN 0.752 nan 8.360 nan 0.000 0.477 15 G N 4.313 113.130 108.800 0.029 0.000 2.233 15 G HA2 -0.337 3.624 3.960 0.001 0.000 0.270 15 G HA3 -0.337 3.624 3.960 0.001 0.000 0.270 15 G C 0.381 175.288 174.900 0.011 0.000 1.011 15 G CA 0.800 45.911 45.100 0.020 0.000 0.762 15 G HN 0.586 nan 8.290 nan 0.000 0.511 16 K N 0.065 120.474 120.400 0.015 0.000 2.726 16 K HA 0.121 4.442 4.320 0.001 0.000 0.209 16 K C 0.106 176.690 176.600 -0.026 0.000 1.082 16 K CA -0.499 55.786 56.287 -0.004 0.000 1.081 16 K CB 0.528 33.029 32.500 0.002 0.000 0.830 16 K HN 0.293 nan 8.250 nan 0.000 0.470 17 E N 2.842 123.033 120.200 -0.015 0.000 2.493 17 E HA -0.022 4.329 4.350 0.001 0.000 0.255 17 E C -2.109 174.359 176.600 -0.220 0.000 0.999 17 E CA -1.335 55.041 56.400 -0.041 0.000 0.934 17 E CB 0.473 30.212 29.700 0.065 0.000 0.940 17 E HN 0.145 nan 8.360 nan 0.000 0.473 18 P HA 0.061 nan 4.420 nan 0.000 0.225 18 P C 0.918 177.728 177.300 -0.816 0.000 1.813 18 P CA -0.065 62.699 63.100 -0.562 0.000 1.013 18 P CB 0.142 31.521 31.700 -0.536 0.000 1.961 19 V N 1.999 121.637 119.914 -0.461 0.000 2.324 19 V HA -0.313 3.808 4.120 0.001 0.000 0.250 19 V C 2.651 178.617 176.094 -0.214 0.000 1.060 19 V CA 2.671 64.823 62.300 -0.248 0.000 1.042 19 V CB -1.290 30.489 31.823 -0.073 0.000 0.650 19 V HN 0.348 nan 8.190 nan 0.000 0.450 20 A N -0.426 122.273 122.820 -0.200 0.000 1.902 20 A HA -0.187 4.134 4.320 0.001 0.000 0.217 20 A C 2.153 179.633 177.584 -0.173 0.000 1.181 20 A CA 2.007 53.961 52.037 -0.138 0.000 0.623 20 A CB -0.550 18.396 19.000 -0.090 0.000 0.818 20 A HN 0.452 nan 8.150 nan 0.000 0.443 21 L N -0.994 120.065 121.223 -0.274 0.000 2.012 21 L HA -0.127 4.214 4.340 0.001 0.000 0.210 21 L C 2.169 178.866 176.870 -0.288 0.000 1.073 21 L CA 2.024 56.675 54.840 -0.314 0.000 0.748 21 L CB -0.900 40.916 42.059 -0.404 0.000 0.891 21 L HN 0.354 nan 8.230 nan 0.000 0.431 22 F N 0.097 119.877 119.950 -0.283 0.000 2.126 22 F HA -0.197 4.331 4.527 0.001 0.000 0.299 22 F C 2.817 178.467 175.800 -0.250 0.000 1.096 22 F CA 1.612 59.432 58.000 -0.299 0.000 1.255 22 F CB -1.273 37.607 39.000 -0.201 0.000 0.997 22 F HN 0.169 nan 8.300 nan 0.000 0.479 23 R N 0.492 120.960 120.500 -0.053 0.000 2.073 23 R HA -0.183 4.158 4.340 0.001 0.000 0.234 23 R C 2.282 178.391 176.300 -0.318 0.000 1.134 23 R CA 1.677 57.672 56.100 -0.176 0.000 0.952 23 R CB -0.399 29.786 30.300 -0.192 0.000 0.850 23 R HN 0.375 nan 8.270 nan 0.000 0.433 24 E N -0.191 119.895 120.200 -0.190 0.000 2.058 24 E HA -0.187 4.164 4.350 0.001 0.000 0.194 24 E C 1.843 178.402 176.600 -0.068 0.000 0.997 24 E CA 1.760 58.107 56.400 -0.088 0.000 0.801 24 E CB 0.067 29.753 29.700 -0.023 0.000 0.746 24 E HN 0.225 nan 8.360 nan 0.000 0.450 25 V N 0.728 120.542 119.914 -0.168 0.000 2.287 25 V HA -0.296 3.825 4.120 0.001 0.000 0.248 25 V C 2.191 178.264 176.094 -0.035 0.000 1.053 25 V CA 2.279 64.462 62.300 -0.195 0.000 1.027 25 V CB -0.859 30.644 31.823 -0.534 0.000 0.646 25 V HN 0.457 nan 8.190 nan 0.000 0.447 26 Y N 0.448 120.653 120.300 -0.159 0.000 2.128 26 Y HA -0.345 4.206 4.550 0.002 0.000 0.284 26 Y C 2.625 178.556 175.900 0.051 0.000 1.154 26 Y CA 2.306 60.355 58.100 -0.084 0.000 1.149 26 Y CB -0.350 38.035 38.460 -0.125 0.000 0.976 26 Y HN 0.383 nan 8.280 nan 0.000 0.505 27 H N -1.168 117.816 119.070 -0.142 0.000 2.321 27 H HA -0.121 4.436 4.556 0.002 0.000 0.300 27 H C 2.402 177.661 175.328 -0.115 0.000 1.087 27 H CA 0.437 56.355 56.048 -0.217 0.000 1.319 27 H CB -0.439 29.273 29.762 -0.083 0.000 1.379 27 H HN 0.545 nan 8.280 nan 0.000 0.501 28 G N 0.474 109.331 108.800 0.096 0.000 2.440 28 G HA2 -0.282 3.679 3.960 0.001 0.000 0.218 28 G HA3 -0.282 3.679 3.960 0.001 0.000 0.218 28 G C 1.863 176.802 174.900 0.065 0.000 1.154 28 G CA 0.821 45.974 45.100 0.088 0.000 0.767 28 G HN 0.476 nan 8.290 nan 0.000 0.552 29 A N 0.464 123.305 122.820 0.035 0.000 1.929 29 A HA 0.190 4.511 4.320 0.001 0.000 0.216 29 A C 2.379 179.968 177.584 0.008 0.000 1.176 29 A CA 0.918 52.973 52.037 0.030 0.000 0.628 29 A CB -0.256 18.756 19.000 0.021 0.000 0.816 29 A HN 0.360 nan 8.150 nan 0.000 0.444 30 I N -0.201 120.335 120.570 -0.057 0.000 2.163 30 I HA -0.258 3.913 4.170 0.001 0.000 0.243 30 I C 2.602 178.713 176.117 -0.010 0.000 1.085 30 I CA 1.870 63.126 61.300 -0.074 0.000 1.347 30 I CB -0.672 37.208 38.000 -0.201 0.000 1.044 30 I HN 0.263 nan 8.210 nan 0.000 0.408 31 T N 0.759 115.315 114.554 0.004 0.000 2.684 31 T HA -0.187 4.164 4.350 0.001 0.000 0.267 31 T C 2.021 176.799 174.700 0.131 0.000 1.036 31 T CA 1.561 63.691 62.100 0.051 0.000 1.148 31 T CB -0.363 68.533 68.868 0.045 0.000 0.863 31 T HN 0.493 nan 8.240 nan 0.000 0.436 32 A N 1.805 124.703 122.820 0.130 0.000 1.873 32 A HA -0.112 4.209 4.320 0.001 0.000 0.215 32 A C 2.661 180.336 177.584 0.151 0.000 1.186 32 A CA 2.233 54.372 52.037 0.171 0.000 0.616 32 A CB -1.262 17.817 19.000 0.132 0.000 0.823 32 A HN 0.635 nan 8.150 nan 0.000 0.442 33 T N -2.715 111.897 114.554 0.098 0.000 2.777 33 T HA -0.093 4.258 4.350 0.001 0.000 0.266 33 T C 2.031 176.776 174.700 0.075 0.000 1.040 33 T CA 1.729 63.873 62.100 0.073 0.000 1.141 33 T CB -0.612 68.281 68.868 0.042 0.000 0.868 33 T HN 0.270 nan 8.240 nan 0.000 0.444 34 S N 0.813 116.563 115.700 0.083 0.000 2.368 34 S HA -0.048 4.423 4.470 0.001 0.000 0.225 34 S C 1.644 176.334 174.600 0.149 0.000 1.030 34 S CA 1.085 59.338 58.200 0.089 0.000 0.999 34 S CB -0.682 62.558 63.200 0.067 0.000 0.844 34 S HN 0.588 nan 8.310 nan 0.000 0.459 35 Y N 2.688 123.013 120.300 0.041 0.000 2.097 35 Y HA -0.164 4.387 4.550 0.001 0.000 0.282 35 Y C 2.497 178.429 175.900 0.052 0.000 1.152 35 Y CA 0.855 58.990 58.100 0.059 0.000 1.136 35 Y CB -1.153 37.364 38.460 0.095 0.000 0.975 35 Y HN 0.196 nan 8.280 nan 0.000 0.498 36 A N 0.328 123.117 122.820 -0.053 0.000 1.917 36 A HA -0.262 4.059 4.320 0.001 0.000 0.219 36 A C 2.296 179.835 177.584 -0.075 0.000 1.182 36 A CA 2.024 53.986 52.037 -0.125 0.000 0.633 36 A CB -0.922 18.060 19.000 -0.031 0.000 0.819 36 A HN 0.572 nan 8.150 nan 0.000 0.448 37 E N 0.237 120.430 120.200 -0.012 0.000 2.085 37 E HA -0.192 4.159 4.350 0.001 0.000 0.194 37 E C 1.923 178.519 176.600 -0.007 0.000 0.994 37 E CA 1.612 58.012 56.400 -0.000 0.000 0.801 37 E CB -0.299 29.413 29.700 0.020 0.000 0.743 37 E HN 0.669 nan 8.360 nan 0.000 0.453 38 I N 0.756 121.329 120.570 0.004 0.000 2.163 38 I HA -0.294 3.877 4.170 0.001 0.000 0.240 38 I C 2.645 178.747 176.117 -0.025 0.000 1.081 38 I CA 0.766 62.075 61.300 0.014 0.000 1.353 38 I CB -0.266 37.781 38.000 0.078 0.000 1.054 38 I HN 0.095 nan 8.210 nan 0.000 0.407 39 L N -0.143 121.019 121.223 -0.102 0.000 2.012 39 L HA -0.251 4.090 4.340 0.001 0.000 0.210 39 L C 2.611 179.446 176.870 -0.059 0.000 1.073 39 L CA 1.121 55.892 54.840 -0.115 0.000 0.748 39 L CB -0.717 41.191 42.059 -0.253 0.000 0.891 39 L HN 0.313 nan 8.230 nan 0.000 0.431 40 L N 0.245 121.433 121.223 -0.058 0.000 1.994 40 L HA -0.184 4.157 4.340 0.001 0.000 0.208 40 L C 2.269 179.136 176.870 -0.004 0.000 1.071 40 L CA 1.874 56.699 54.840 -0.026 0.000 0.745 40 L CB -0.800 41.244 42.059 -0.025 0.000 0.892 40 L HN 0.227 nan 8.230 nan 0.000 0.431 41 N N -0.621 118.076 118.700 -0.005 0.000 2.270 41 N HA -0.189 4.552 4.740 0.001 0.000 0.181 41 N C 1.807 177.317 175.510 0.000 0.000 1.016 41 N CA 1.145 54.196 53.050 0.002 0.000 0.870 41 N CB -0.228 38.261 38.487 0.003 0.000 0.979 41 N HN 0.463 nan 8.380 nan 0.000 0.431 42 Q N 1.326 121.124 119.800 -0.003 0.000 2.061 42 Q HA 0.000 4.341 4.340 0.001 0.000 0.204 42 Q C 1.864 177.859 176.000 -0.008 0.000 0.984 42 Q CA 1.929 57.725 55.803 -0.010 0.000 0.846 42 Q CB -0.531 28.203 28.738 -0.008 0.000 0.902 42 Q HN 0.314 nan 8.270 nan 0.000 0.421 43 A N 0.346 123.185 122.820 0.032 0.000 1.883 43 A HA -0.191 4.130 4.320 0.001 0.000 0.217 43 A C 2.190 179.848 177.584 0.124 0.000 1.186 43 A CA 1.727 53.837 52.037 0.122 0.000 0.624 43 A CB -0.906 18.178 19.000 0.140 0.000 0.822 43 A HN 0.509 nan 8.150 nan 0.000 0.444 44 I N -0.974 119.637 120.570 0.067 0.000 2.208 44 I HA -0.303 3.868 4.170 0.001 0.000 0.245 44 I C 2.788 178.918 176.117 0.021 0.000 1.097 44 I CA 1.591 62.924 61.300 0.055 0.000 1.363 44 I CB -0.335 37.685 38.000 0.034 0.000 1.051 44 I HN 0.306 nan 8.210 nan 0.000 0.413 45 R N -0.137 120.356 120.500 -0.012 0.000 2.092 45 R HA -0.108 4.233 4.340 0.001 0.000 0.231 45 R C 2.285 178.532 176.300 -0.090 0.000 1.119 45 R CA 1.855 57.931 56.100 -0.038 0.000 0.970 45 R CB -0.456 29.820 30.300 -0.040 0.000 0.864 45 R HN 0.362 nan 8.270 nan 0.000 0.440 46 T N -0.471 113.983 114.554 -0.167 0.000 2.809 46 T HA -0.068 4.283 4.350 0.001 0.000 0.260 46 T C 1.088 175.520 174.700 -0.447 0.000 1.039 46 T CA 1.204 63.078 62.100 -0.377 0.000 1.141 46 T CB -0.120 68.376 68.868 -0.621 0.000 0.869 46 T HN 0.248 nan 8.240 nan 0.000 0.437 47 Y N 0.813 121.047 120.300 -0.109 0.000 2.481 47 Y HA 0.469 5.020 4.550 0.001 0.000 0.258 47 Y C 1.475 177.365 175.900 -0.016 0.000 1.103 47 Y CA -0.089 57.928 58.100 -0.139 0.000 1.287 47 Y CB 0.188 38.395 38.460 -0.422 0.000 1.108 47 Y HN 0.367 nan 8.280 nan 0.000 0.529 48 G N 0.966 109.839 108.800 0.122 0.000 2.692 48 G HA2 -0.156 3.805 3.960 0.001 0.000 0.686 48 G HA3 -0.156 3.805 3.960 0.001 0.000 0.686 48 G C -2.124 172.844 174.900 0.114 0.000 1.243 48 G CA -0.528 44.632 45.100 0.100 0.000 0.782 48 G HN -0.007 nan 8.290 nan 0.000 0.625 49 P HA 0.041 nan 4.420 nan 0.000 0.223 49 P C 0.751 178.084 177.300 0.056 0.000 1.151 49 P CA 1.366 64.499 63.100 0.055 0.000 0.787 49 P CB 0.195 31.913 31.700 0.030 0.000 0.788 50 D N -2.018 118.420 120.400 0.062 0.000 2.355 50 D HA -0.054 4.587 4.640 0.001 0.000 0.218 50 D C 0.846 177.176 176.300 0.050 0.000 1.004 50 D CA 0.331 54.355 54.000 0.040 0.000 0.880 50 D CB -0.611 40.205 40.800 0.025 0.000 0.911 50 D HN 0.308 nan 8.370 nan 0.000 0.528 51 H N 1.763 120.838 119.070 0.008 0.000 2.928 51 H HA 0.056 4.613 4.556 0.001 0.000 0.338 51 H C -2.185 173.107 175.328 -0.059 0.000 1.047 51 H CA -1.104 54.934 56.048 -0.017 0.000 1.435 51 H CB 0.801 30.561 29.762 -0.004 0.000 1.428 51 H HN -0.136 nan 8.280 nan 0.000 0.590 52 P HA -0.019 nan 4.420 nan 0.000 0.269 52 P C -0.899 176.357 177.300 -0.073 0.000 1.215 52 P CA 0.037 63.025 63.100 -0.188 0.000 0.780 52 P CB 0.903 32.450 31.700 -0.256 0.000 0.898 53 V N 1.674 121.537 119.914 -0.084 0.000 2.808 53 V HA 0.891 5.012 4.120 0.001 0.000 0.308 53 V C -0.129 175.851 176.094 -0.189 0.000 1.099 53 V CA 0.337 62.568 62.300 -0.114 0.000 0.920 53 V CB 1.680 33.439 31.823 -0.107 0.000 1.014 53 V HN 0.888 nan 8.190 nan 0.000 0.425 54 G N 4.304 112.929 108.800 -0.292 0.000 2.327 54 G HA2 0.295 4.256 3.960 0.001 0.000 0.291 54 G HA3 0.295 4.256 3.960 0.001 0.000 0.291 54 G C -2.111 172.440 174.900 -0.582 0.000 1.290 54 G CA -0.555 44.267 45.100 -0.464 0.000 0.857 54 G HN 0.700 nan 8.290 nan 0.000 0.520 55 Y N 0.868 120.848 120.300 -0.533 0.000 2.528 55 Y HA 0.649 5.200 4.550 0.001 0.000 0.335 55 Y C -1.515 174.061 175.900 -0.540 0.000 1.093 55 Y CA -1.851 55.736 58.100 -0.855 0.000 1.134 55 Y CB 2.288 39.709 38.460 -1.732 0.000 1.253 55 Y HN 0.439 nan 8.280 nan 0.000 0.478 56 P HA 0.051 nan 4.420 nan 0.000 0.276 56 P C -0.904 176.404 177.300 0.012 0.000 1.244 56 P CA -0.132 62.915 63.100 -0.088 0.000 0.801 56 P CB 0.753 32.403 31.700 -0.084 0.000 1.006 57 D N -2.051 118.370 120.400 0.035 0.000 2.689 57 D HA -0.133 4.508 4.640 0.001 0.000 0.237 57 D C -0.146 176.215 176.300 0.101 0.000 1.148 57 D CA 1.301 55.342 54.000 0.068 0.000 0.656 57 D CB -1.893 38.955 40.800 0.079 0.000 1.050 57 D HN 0.456 nan 8.370 nan 0.000 0.426 58 T N -2.125 112.450 114.554 0.035 0.000 2.916 58 T HA 0.647 4.998 4.350 0.001 0.000 0.305 58 T C 0.418 175.007 174.700 -0.185 0.000 1.119 58 T CA 0.122 62.243 62.100 0.035 0.000 1.008 58 T CB 1.777 70.766 68.868 0.202 0.000 1.129 58 T HN -0.001 nan 8.240 nan 0.000 0.480 59 A N 2.570 125.200 122.820 -0.317 0.000 2.308 59 A HA 0.305 4.625 4.320 0.001 0.000 0.217 59 A C 0.310 177.255 177.584 -1.065 0.000 1.216 59 A CA 0.293 51.891 52.037 -0.731 0.000 0.864 59 A CB -0.276 18.232 19.000 -0.821 0.000 0.902 59 A HN 0.822 nan 8.150 nan 0.000 0.499 60 Y N -1.688 118.457 120.300 -0.258 0.000 2.708 60 Y HA 0.353 4.904 4.550 0.001 0.000 0.287 60 Y C 0.434 176.324 175.900 -0.016 0.000 1.145 60 Y CA -0.896 57.134 58.100 -0.116 0.000 1.249 60 Y CB -0.815 37.617 38.460 -0.047 0.000 1.152 60 Y HN 0.357 nan 8.280 nan 0.000 0.532 61 Y N -1.921 118.356 120.300 -0.038 0.000 2.864 61 Y HA -0.407 4.144 4.550 0.001 0.000 0.468 61 Y C 0.343 176.212 175.900 -0.052 0.000 1.175 61 Y CA 0.032 58.087 58.100 -0.074 0.000 2.601 61 Y CB -1.147 37.266 38.460 -0.079 0.000 1.207 61 Y HN -0.137 nan 8.280 nan 0.000 0.627 62 L N 3.558 124.842 121.223 0.103 0.000 2.282 62 L HA 0.165 4.505 4.340 0.001 0.000 0.287 62 L C -1.842 175.081 176.870 0.089 0.000 1.075 62 L CA -1.598 53.278 54.840 0.061 0.000 0.839 62 L CB 0.752 42.766 42.059 -0.075 0.000 1.219 62 L HN 0.257 nan 8.230 nan 0.000 0.434 63 P HA -0.108 nan 4.420 nan 0.000 0.220 63 P C 1.783 179.040 177.300 -0.072 0.000 1.148 63 P CA 0.583 63.733 63.100 0.083 0.000 0.803 63 P CB 0.380 32.139 31.700 0.099 0.000 0.782 64 V N -0.198 119.642 119.914 -0.124 0.000 2.332 64 V HA -0.239 3.882 4.120 0.001 0.000 0.248 64 V C 2.332 178.219 176.094 -0.345 0.000 1.055 64 V CA 1.717 63.868 62.300 -0.249 0.000 1.038 64 V CB -0.938 30.768 31.823 -0.196 0.000 0.651 64 V HN 0.073 nan 8.190 nan 0.000 0.450 65 I N -0.413 119.924 120.570 -0.388 0.000 2.277 65 I HA -0.178 3.993 4.170 0.001 0.000 0.243 65 I C 2.694 178.775 176.117 -0.060 0.000 1.094 65 I CA 1.465 62.533 61.300 -0.386 0.000 1.393 65 I CB -0.406 37.408 38.000 -0.311 0.000 1.078 65 I HN 0.220 nan 8.210 nan 0.000 0.417 66 R N 0.711 121.200 120.500 -0.018 0.000 2.091 66 R HA -0.234 4.107 4.340 0.001 0.000 0.238 66 R C 2.466 178.802 176.300 0.060 0.000 1.136 66 R CA 2.205 58.345 56.100 0.066 0.000 0.959 66 R CB -0.936 29.474 30.300 0.184 0.000 0.856 66 R HN 0.497 nan 8.270 nan 0.000 0.437 67 C N -0.562 118.724 119.300 -0.023 0.000 2.473 67 C HA 0.026 4.487 4.460 0.001 0.000 0.279 67 C C 2.303 177.365 174.990 0.121 0.000 1.250 67 C CA 0.439 59.417 59.018 -0.065 0.000 1.713 67 C CB -1.176 26.369 27.740 -0.325 0.000 2.066 67 C HN 0.602 nan 8.230 nan 0.000 0.474 68 F N 1.804 121.854 119.950 0.166 0.000 2.367 68 F HA 0.091 4.619 4.527 0.002 0.000 0.298 68 F C 2.629 178.558 175.800 0.214 0.000 1.094 68 F CA 1.445 59.585 58.000 0.233 0.000 1.409 68 F CB -0.589 38.642 39.000 0.386 0.000 1.064 68 F HN 0.451 nan 8.300 nan 0.000 0.528 69 S N -2.641 113.299 115.700 0.400 0.000 2.687 69 S HA 0.485 4.956 4.470 0.001 0.000 0.247 69 S C 1.585 176.275 174.600 0.150 0.000 1.050 69 S CA 0.271 58.627 58.200 0.260 0.000 1.063 69 S CB 0.655 64.030 63.200 0.291 0.000 1.039 69 S HN 0.442 nan 8.310 nan 0.000 0.580 70 G N 1.156 110.030 108.800 0.124 0.000 2.199 70 G HA2 -0.250 3.710 3.960 0.001 0.000 0.254 70 G HA3 -0.250 3.710 3.960 0.001 0.000 0.254 70 G C -0.266 174.637 174.900 0.005 0.000 0.982 70 G CA 0.082 45.221 45.100 0.064 0.000 0.632 70 G HN 0.567 nan 8.290 nan 0.000 0.529 71 E N 1.149 121.349 120.200 0.000 0.000 2.384 71 E HA 0.458 4.809 4.350 0.001 0.000 0.266 71 E C 0.291 176.775 176.600 -0.193 0.000 1.012 71 E CA 0.114 56.468 56.400 -0.076 0.000 0.901 71 E CB 0.511 30.186 29.700 -0.040 0.000 0.967 71 E HN 0.512 nan 8.360 nan 0.000 0.435 72 E N 1.904 121.880 120.200 -0.373 0.000 1.932 72 E HA 0.127 4.478 4.350 0.001 0.000 0.259 72 E C -0.842 175.384 176.600 -0.623 0.000 1.099 72 E CA -0.299 55.562 56.400 -0.898 0.000 0.970 72 E CB 0.467 29.526 29.700 -1.069 0.000 1.143 72 E HN 0.169 nan 8.360 nan 0.000 0.441 73 V N 3.381 123.107 119.914 -0.314 0.000 2.479 73 V HA -0.005 4.116 4.120 0.001 0.000 0.281 73 V C 1.038 177.114 176.094 -0.030 0.000 1.031 73 V CA 0.518 62.738 62.300 -0.133 0.000 1.038 73 V CB 0.899 32.676 31.823 -0.075 0.000 0.981 73 V HN 0.612 nan 8.190 nan 0.000 0.478 74 K N 3.401 123.772 120.400 -0.048 0.000 2.511 74 K HA 0.221 4.542 4.320 0.001 0.000 0.209 74 K C 0.254 176.829 176.600 -0.043 0.000 1.301 74 K CA -0.052 56.232 56.287 -0.005 0.000 0.967 74 K CB 0.867 33.368 32.500 0.001 0.000 1.109 74 K HN 0.756 nan 8.250 nan 0.000 0.561 75 K N 0.012 120.385 120.400 -0.046 0.000 2.482 75 K HA 0.335 4.656 4.320 0.001 0.000 0.257 75 K C 0.539 177.126 176.600 -0.021 0.000 0.969 75 K CA -0.704 55.564 56.287 -0.032 0.000 0.842 75 K CB 1.526 34.011 32.500 -0.025 0.000 1.359 75 K HN -0.222 nan 8.250 nan 0.000 0.441 76 L N 0.944 122.173 121.223 0.008 0.000 2.051 76 L HA -0.187 4.154 4.340 0.001 0.000 0.214 76 L C 2.198 179.071 176.870 0.005 0.000 1.076 76 L CA 2.154 57.001 54.840 0.012 0.000 0.758 76 L CB -0.643 41.446 42.059 0.049 0.000 0.890 76 L HN 1.108 nan 8.230 nan 0.000 0.433 77 G N -1.327 107.479 108.800 0.010 0.000 2.679 77 G HA2 -0.177 3.784 3.960 0.001 0.000 0.212 77 G HA3 -0.177 3.784 3.960 0.001 0.000 0.212 77 G C 0.990 175.885 174.900 -0.008 0.000 1.137 77 G CA 0.334 45.437 45.100 0.004 0.000 0.787 77 G HN 0.306 nan 8.290 nan 0.000 0.534 78 D N 0.236 120.625 120.400 -0.019 0.000 2.277 78 D HA 0.023 4.664 4.640 0.001 0.000 0.208 78 D C 2.500 178.789 176.300 -0.017 0.000 0.962 78 D CA 0.236 54.218 54.000 -0.029 0.000 0.865 78 D CB 0.169 40.938 40.800 -0.051 0.000 0.939 78 D HN 0.315 nan 8.370 nan 0.000 0.510 79 L N 0.513 121.728 121.223 -0.013 0.000 2.127 79 L HA -0.008 4.332 4.340 0.001 0.000 0.203 79 L C -0.582 176.295 176.870 0.012 0.000 1.080 79 L CA 0.689 55.528 54.840 -0.002 0.000 0.768 79 L CB -1.217 40.834 42.059 -0.014 0.000 0.924 79 L HN -0.023 nan 8.230 nan 0.000 0.444 80 P HA -0.162 nan 4.420 nan 0.000 0.216 80 P C -1.417 175.892 177.300 0.015 0.000 1.157 80 P CA 1.712 64.819 63.100 0.011 0.000 0.880 80 P CB -1.126 30.578 31.700 0.007 0.000 0.791 81 P HA -0.104 nan 4.420 nan 0.000 0.217 81 P C 1.580 178.894 177.300 0.024 0.000 1.150 81 P CA 1.250 64.358 63.100 0.012 0.000 0.832 81 P CB -0.477 31.227 31.700 0.007 0.000 0.787 82 I N -1.401 119.195 120.570 0.043 0.000 2.233 82 I HA -0.190 3.981 4.170 0.001 0.000 0.243 82 I C 2.265 178.438 176.117 0.092 0.000 1.093 82 I CA 0.918 62.269 61.300 0.086 0.000 1.380 82 I CB -0.669 37.404 38.000 0.121 0.000 1.067 82 I HN -0.088 nan 8.210 nan 0.000 0.413 83 L N 1.221 122.492 121.223 0.080 0.000 2.046 83 L HA -0.200 4.141 4.340 0.001 0.000 0.208 83 L C 2.142 179.027 176.870 0.026 0.000 1.077 83 L CA 1.885 56.766 54.840 0.069 0.000 0.747 83 L CB -1.002 41.089 42.059 0.052 0.000 0.896 83 L HN 0.193 nan 8.230 nan 0.000 0.432 84 N N 0.036 118.746 118.700 0.016 0.000 2.104 84 N HA -0.201 4.540 4.740 0.001 0.000 0.190 84 N C 1.982 177.483 175.510 -0.015 0.000 1.024 84 N CA 1.372 54.423 53.050 0.002 0.000 0.853 84 N CB -0.211 38.278 38.487 0.002 0.000 1.008 84 N HN 0.386 nan 8.380 nan 0.000 0.424 85 R N 0.506 120.992 120.500 -0.023 0.000 2.105 85 R HA -0.030 4.311 4.340 0.001 0.000 0.239 85 R C 1.749 177.992 176.300 -0.096 0.000 1.135 85 R CA 1.046 57.114 56.100 -0.053 0.000 0.967 85 R CB 0.119 30.387 30.300 -0.054 0.000 0.861 85 R HN 0.079 nan 8.270 nan 0.000 0.442 86 K N 0.026 120.360 120.400 -0.111 0.000 2.137 86 K HA -0.039 4.282 4.320 0.001 0.000 0.202 86 K C 1.864 178.418 176.600 -0.077 0.000 1.052 86 K CA 0.714 56.909 56.287 -0.155 0.000 0.961 86 K CB -0.250 32.140 32.500 -0.183 0.000 0.741 86 K HN 0.134 nan 8.250 nan 0.000 0.452 87 R N 0.955 121.434 120.500 -0.035 0.000 2.103 87 R HA -0.126 4.215 4.340 0.001 0.000 0.242 87 R C 1.899 178.192 176.300 -0.011 0.000 1.142 87 R CA 1.731 57.825 56.100 -0.011 0.000 0.960 87 R CB -0.168 30.134 30.300 0.003 0.000 0.858 87 R HN 0.129 nan 8.270 nan 0.000 0.439 88 A N 0.863 123.669 122.820 -0.023 0.000 2.066 88 A HA -0.158 4.163 4.320 0.001 0.000 0.218 88 A C 1.917 179.482 177.584 -0.032 0.000 1.157 88 A CA 1.199 53.224 52.037 -0.020 0.000 0.670 88 A CB -0.293 18.693 19.000 -0.024 0.000 0.804 88 A HN 0.678 nan 8.150 nan 0.000 0.453 89 Q N -0.310 119.455 119.800 -0.057 0.000 2.392 89 Q HA 0.166 4.507 4.340 0.001 0.000 0.203 89 Q C -0.579 175.385 176.000 -0.060 0.000 0.917 89 Q CA 0.234 55.991 55.803 -0.077 0.000 0.939 89 Q CB -0.035 28.627 28.738 -0.127 0.000 1.063 89 Q HN 0.236 nan 8.270 nan 0.000 0.516 90 V N 2.238 122.142 119.914 -0.018 0.000 2.405 90 V HA 0.166 4.287 4.120 0.001 0.000 0.264 90 V C -0.081 176.077 176.094 0.107 0.000 1.048 90 V CA -0.168 62.160 62.300 0.046 0.000 0.966 90 V CB 0.889 32.753 31.823 0.067 0.000 1.015 90 V HN 0.265 nan 8.190 nan 0.000 0.477 91 S N 6.834 122.562 115.700 0.046 0.000 2.472 91 S HA 0.559 5.030 4.470 0.001 0.000 0.303 91 S C -1.299 173.129 174.600 -0.286 0.000 1.099 91 S CA -1.550 56.618 58.200 -0.055 0.000 1.077 91 S CB 1.982 65.117 63.200 -0.109 0.000 1.031 91 S HN 0.610 nan 8.310 nan 0.000 0.487 92 P HA 0.041 nan 4.420 nan 0.000 0.233 92 P C 0.013 177.027 177.300 -0.477 0.000 1.167 92 P CA 0.285 62.914 63.100 -0.784 0.000 0.770 92 P CB -0.089 31.415 31.700 -0.326 0.000 0.837 93 V N 2.474 122.213 119.914 -0.292 0.000 2.421 93 V HA 0.019 4.140 4.120 0.001 0.000 0.271 93 V C 0.838 176.797 176.094 -0.224 0.000 1.031 93 V CA 0.127 62.306 62.300 -0.203 0.000 1.032 93 V CB -0.182 31.556 31.823 -0.142 0.000 1.009 93 V HN -0.007 nan 8.190 nan 0.000 0.477 94 L N 6.905 128.020 121.223 -0.179 0.000 2.257 94 L HA 0.552 4.893 4.340 0.001 0.000 0.290 94 L C 0.051 176.831 176.870 -0.150 0.000 1.044 94 L CA -0.114 54.636 54.840 -0.150 0.000 0.810 94 L CB 0.797 42.849 42.059 -0.012 0.000 1.193 94 L HN 0.954 nan 8.230 nan 0.000 0.425 95 N N 1.680 120.073 118.700 -0.513 0.000 3.227 95 N HA 0.133 4.874 4.740 0.001 0.000 0.241 95 N C 0.007 174.819 175.510 -1.162 0.000 1.480 95 N CA -0.904 51.737 53.050 -0.682 0.000 0.886 95 N CB 0.376 38.723 38.487 -0.232 0.000 1.406 95 N HN 0.292 nan 8.380 nan 0.000 0.514 96 F N -0.054 119.316 119.950 -0.966 0.000 2.146 96 F HA -0.071 4.456 4.527 0.001 0.000 0.298 96 F C 2.059 177.583 175.800 -0.460 0.000 1.096 96 F CA 1.289 58.898 58.000 -0.652 0.000 1.275 96 F CB 0.269 39.189 39.000 -0.133 0.000 1.008 96 F HN 0.771 nan 8.300 nan 0.000 0.480 97 E N 0.496 120.512 120.200 -0.307 0.000 2.058 97 E HA -0.264 4.087 4.350 0.001 0.000 0.194 97 E C 1.724 178.171 176.600 -0.255 0.000 0.997 97 E CA 1.570 57.767 56.400 -0.338 0.000 0.801 97 E CB -0.091 29.463 29.700 -0.244 0.000 0.746 97 E HN 0.370 nan 8.360 nan 0.000 0.450 98 N N 0.328 118.873 118.700 -0.258 0.000 2.223 98 N HA -0.125 4.616 4.740 0.001 0.000 0.185 98 N C 1.490 176.876 175.510 -0.207 0.000 1.016 98 N CA 1.147 54.065 53.050 -0.220 0.000 0.863 98 N CB -0.391 37.960 38.487 -0.227 0.000 0.983 98 N HN 0.221 nan 8.380 nan 0.000 0.429 99 A N 1.376 124.037 122.820 -0.266 0.000 1.898 99 A HA -0.083 4.238 4.320 0.001 0.000 0.216 99 A C 2.233 179.851 177.584 0.057 0.000 1.181 99 A CA 1.023 52.949 52.037 -0.185 0.000 0.620 99 A CB -0.308 18.537 19.000 -0.259 0.000 0.819 99 A HN 0.203 nan 8.150 nan 0.000 0.442 100 R N -0.676 119.870 120.500 0.076 0.000 2.075 100 R HA -0.013 4.328 4.340 0.001 0.000 0.232 100 R C 2.026 178.305 176.300 -0.036 0.000 1.126 100 R CA 1.358 57.496 56.100 0.062 0.000 0.963 100 R CB -0.510 29.656 30.300 -0.224 0.000 0.858 100 R HN 0.488 nan 8.270 nan 0.000 0.435 101 L N 0.185 121.342 121.223 -0.111 0.000 2.093 101 L HA -0.130 4.211 4.340 0.001 0.000 0.208 101 L C 2.643 179.352 176.870 -0.269 0.000 1.085 101 L CA 1.135 55.831 54.840 -0.240 0.000 0.755 101 L CB -0.472 41.487 42.059 -0.167 0.000 0.904 101 L HN 0.231 nan 8.230 nan 0.000 0.435 102 A N 0.126 122.851 122.820 -0.158 0.000 1.969 102 A HA -0.100 4.220 4.320 0.001 0.000 0.218 102 A C 2.395 179.916 177.584 -0.106 0.000 1.169 102 A CA 1.543 53.517 52.037 -0.105 0.000 0.635 102 A CB -1.172 17.800 19.000 -0.047 0.000 0.810 102 A HN 0.438 nan 8.150 nan 0.000 0.445 103 G N -0.366 108.371 108.800 -0.105 0.000 2.459 103 G HA2 -0.308 3.653 3.960 0.001 0.000 0.217 103 G HA3 -0.308 3.653 3.960 0.001 0.000 0.217 103 G C 1.493 176.177 174.900 -0.359 0.000 1.183 103 G CA 1.112 46.136 45.100 -0.127 0.000 0.776 103 G HN 0.644 nan 8.290 nan 0.000 0.552 104 E N 0.539 120.351 120.200 -0.647 0.000 2.058 104 E HA -0.130 4.221 4.350 0.001 0.000 0.194 104 E C 2.823 179.281 176.600 -0.237 0.000 0.997 104 E CA 1.101 57.054 56.400 -0.744 0.000 0.801 104 E CB -0.268 28.496 29.700 -1.561 0.000 0.746 104 E HN 0.336 nan 8.360 nan 0.000 0.450 105 A N 0.309 122.980 122.820 -0.248 0.000 1.908 105 A HA -0.182 4.139 4.320 0.001 0.000 0.218 105 A C 2.376 180.005 177.584 0.074 0.000 1.181 105 A CA 2.134 54.104 52.037 -0.111 0.000 0.627 105 A CB -0.969 17.961 19.000 -0.117 0.000 0.818 105 A HN 0.355 nan 8.150 nan 0.000 0.445 106 T N -1.576 113.026 114.554 0.078 0.000 2.788 106 T HA -0.178 4.173 4.350 0.001 0.000 0.268 106 T C 1.510 176.401 174.700 0.318 0.000 1.044 106 T CA 1.361 63.562 62.100 0.168 0.000 1.139 106 T CB -0.307 68.654 68.868 0.154 0.000 0.867 106 T HN 0.667 nan 8.240 nan 0.000 0.454 107 W N 0.867 122.226 121.300 0.099 0.000 2.355 107 W HA 0.075 4.736 4.660 0.002 0.000 0.309 107 W C 2.026 178.633 176.519 0.146 0.000 1.206 107 W CA -0.239 57.180 57.345 0.124 0.000 1.284 107 W CB -1.378 28.191 29.460 0.181 0.000 1.145 107 W HN 0.375 nan 8.180 nan 0.000 0.502 108 Y N 0.027 120.462 120.300 0.226 0.000 2.128 108 Y HA -0.283 4.268 4.550 0.001 0.000 0.284 108 Y C 2.618 178.557 175.900 0.064 0.000 1.154 108 Y CA 1.876 60.048 58.100 0.121 0.000 1.149 108 Y CB -0.971 37.538 38.460 0.082 0.000 0.976 108 Y HN -0.088 nan 8.280 nan 0.000 0.505 109 A N 0.096 123.047 122.820 0.219 0.000 1.877 109 A HA -0.205 4.116 4.320 0.001 0.000 0.216 109 A C 2.397 180.004 177.584 0.038 0.000 1.186 109 A CA 1.868 53.969 52.037 0.107 0.000 0.620 109 A CB -1.319 17.741 19.000 0.101 0.000 0.822 109 A HN 0.442 nan 8.150 nan 0.000 0.443 110 A N -0.435 122.405 122.820 0.033 0.000 1.940 110 A HA -0.173 4.148 4.320 0.001 0.000 0.219 110 A C 1.970 179.509 177.584 -0.074 0.000 1.176 110 A CA 2.214 54.212 52.037 -0.064 0.000 0.631 110 A CB -0.498 18.450 19.000 -0.087 0.000 0.814 110 A HN 0.584 nan 8.150 nan 0.000 0.446 111 E N 0.211 120.386 120.200 -0.041 0.000 2.077 111 E HA -0.133 4.218 4.350 0.001 0.000 0.193 111 E C 1.720 178.312 176.600 -0.013 0.000 0.989 111 E CA 1.458 57.844 56.400 -0.023 0.000 0.800 111 E CB -0.347 29.318 29.700 -0.058 0.000 0.746 111 E HN 0.641 nan 8.360 nan 0.000 0.452 112 I N 0.095 120.645 120.570 -0.033 0.000 2.202 112 I HA -0.247 3.924 4.170 0.001 0.000 0.242 112 I C 2.241 178.323 176.117 -0.059 0.000 1.091 112 I CA 0.961 62.229 61.300 -0.052 0.000 1.368 112 I CB -0.259 37.726 38.000 -0.024 0.000 1.058 112 I HN 0.166 nan 8.210 nan 0.000 0.410 113 I N 0.431 120.962 120.570 -0.064 0.000 2.163 113 I HA -0.297 3.874 4.170 0.001 0.000 0.243 113 I C 2.599 178.725 176.117 0.014 0.000 1.085 113 I CA 1.360 62.613 61.300 -0.078 0.000 1.347 113 I CB -0.451 37.470 38.000 -0.132 0.000 1.044 113 I HN 0.228 nan 8.210 nan 0.000 0.408 114 E N 0.859 121.099 120.200 0.067 0.000 2.077 114 E HA -0.218 4.133 4.350 0.001 0.000 0.193 114 E C 2.363 179.154 176.600 0.318 0.000 0.989 114 E CA 1.518 58.080 56.400 0.270 0.000 0.800 114 E CB -0.401 29.475 29.700 0.292 0.000 0.746 114 E HN 0.525 nan 8.360 nan 0.000 0.452 115 A N 1.199 124.031 122.820 0.019 0.000 1.908 115 A HA -0.166 4.155 4.320 0.001 0.000 0.218 115 A C 2.403 179.939 177.584 -0.080 0.000 1.181 115 A CA 1.268 53.129 52.037 -0.294 0.000 0.627 115 A CB -0.729 17.990 19.000 -0.469 0.000 0.818 115 A HN 0.194 nan 8.150 nan 0.000 0.445 116 L N -1.599 119.606 121.223 -0.030 0.000 2.093 116 L HA -0.116 4.225 4.340 0.001 0.000 0.208 116 L C 2.788 179.679 176.870 0.035 0.000 1.085 116 L CA 1.329 56.159 54.840 -0.017 0.000 0.755 116 L CB -0.442 41.599 42.059 -0.031 0.000 0.904 116 L HN 0.366 nan 8.230 nan 0.000 0.435 117 R N -0.702 119.854 120.500 0.093 0.000 2.120 117 R HA -0.181 4.160 4.340 0.001 0.000 0.234 117 R C 2.041 178.369 176.300 0.047 0.000 1.123 117 R CA 1.454 57.607 56.100 0.088 0.000 0.975 117 R CB -0.166 30.217 30.300 0.139 0.000 0.866 117 R HN 0.294 nan 8.270 nan 0.000 0.446 118 Y N 0.162 120.486 120.300 0.040 0.000 2.632 118 Y HA -0.043 4.508 4.550 0.002 0.000 0.301 118 Y C 1.709 177.626 175.900 0.029 0.000 1.172 118 Y CA 0.373 58.505 58.100 0.054 0.000 1.328 118 Y CB 0.148 38.592 38.460 -0.027 0.000 1.016 118 Y HN 0.060 nan 8.280 nan 0.000 0.529 119 L N -0.270 120.984 121.223 0.053 0.000 2.265 119 L HA -0.216 4.125 4.340 0.001 0.000 0.215 119 L C 1.668 178.532 176.870 -0.008 0.000 1.117 119 L CA 1.123 55.937 54.840 -0.043 0.000 0.782 119 L CB -0.194 41.728 42.059 -0.227 0.000 0.914 119 L HN 0.090 nan 8.230 nan 0.000 0.441 120 K N -0.789 119.621 120.400 0.016 0.000 2.374 120 K HA 0.056 4.376 4.320 0.001 0.000 0.196 120 K C 0.052 176.656 176.600 0.007 0.000 1.023 120 K CA -0.131 56.162 56.287 0.010 0.000 1.103 120 K CB -0.272 32.228 32.500 0.000 0.000 0.848 120 K HN 0.127 nan 8.250 nan 0.000 0.528 121 Y N 2.267 122.512 120.300 -0.091 0.000 2.425 121 Y HA 0.100 4.651 4.550 0.002 0.000 0.331 121 Y C -0.289 175.608 175.900 -0.005 0.000 1.157 121 Y CA 0.266 58.314 58.100 -0.086 0.000 1.372 121 Y CB 0.571 38.998 38.460 -0.054 0.000 1.253 121 Y HN -0.189 nan 8.280 nan 0.000 0.536 122 K N 6.967 126.889 120.400 -0.796 0.000 2.426 122 K HA 0.290 4.610 4.320 0.001 0.000 0.251 122 K C -2.237 173.770 176.600 -0.988 0.000 0.941 122 K CA -1.990 53.914 56.287 -0.637 0.000 0.808 122 K CB 2.255 34.584 32.500 -0.286 0.000 1.265 122 K HN 0.305 nan 8.250 nan 0.000 0.432 123 P HA -0.250 nan 4.420 nan 0.000 0.216 123 P C 0.383 177.575 177.300 -0.179 0.000 1.153 123 P CA 1.464 64.424 63.100 -0.232 0.000 0.858 123 P CB 0.129 31.810 31.700 -0.031 0.000 0.789 124 D N -0.945 119.357 120.400 -0.163 0.000 2.310 124 D HA -0.127 4.514 4.640 0.001 0.000 0.212 124 D C 0.672 176.903 176.300 -0.116 0.000 0.965 124 D CA 0.798 54.737 54.000 -0.101 0.000 0.879 124 D CB -0.179 40.575 40.800 -0.077 0.000 0.921 124 D HN 0.288 nan 8.370 nan 0.000 0.510 125 E N 1.265 121.336 120.200 -0.216 0.000 3.352 125 E HA 0.198 4.549 4.350 0.001 0.000 0.254 125 E C -2.648 173.822 176.600 -0.216 0.000 1.229 125 E CA -1.778 54.517 56.400 -0.175 0.000 0.949 125 E CB 1.666 31.270 29.700 -0.158 0.000 1.373 125 E HN 0.031 nan 8.360 nan 0.000 0.392 126 P HA 0.054 nan 4.420 nan 0.000 0.274 126 P C 0.889 178.214 177.300 0.042 0.000 1.246 126 P CA -0.211 62.944 63.100 0.093 0.000 0.795 126 P CB 1.307 33.131 31.700 0.205 0.000 1.006 127 L N -0.354 120.895 121.223 0.043 0.000 2.156 127 L HA 0.037 4.378 4.340 0.001 0.000 0.208 127 L C 1.022 177.870 176.870 -0.038 0.000 1.095 127 L CA 1.194 56.007 54.840 -0.045 0.000 0.770 127 L CB -0.494 41.480 42.059 -0.141 0.000 0.914 127 L HN 0.278 nan 8.230 nan 0.000 0.439 128 L N -0.489 120.739 121.223 0.007 0.000 2.388 128 L HA 0.477 4.818 4.340 0.001 0.000 0.264 128 L C -2.402 174.521 176.870 0.087 0.000 0.998 128 L CA -1.921 52.894 54.840 -0.043 0.000 0.817 128 L CB 2.238 44.252 42.059 -0.074 0.000 1.338 128 L HN -0.241 nan 8.230 nan 0.000 0.414 129 P HA 0.370 nan 4.420 nan 0.000 0.278 129 P C -2.770 174.744 177.300 0.356 0.000 1.266 129 P CA -2.014 61.205 63.100 0.198 0.000 0.807 129 P CB -0.159 31.639 31.700 0.163 0.000 1.094 130 P HA 0.052 nan 4.420 nan 0.000 0.265 130 P C -1.603 175.855 177.300 0.263 0.000 1.187 130 P CA -0.594 62.645 63.100 0.232 0.000 0.766 130 P CB -0.702 31.086 31.700 0.147 0.000 0.820 131 P HA 0.017 nan 4.420 nan 0.000 0.255 131 P C -0.067 177.246 177.300 0.022 0.000 1.248 131 P CA 0.125 63.226 63.100 0.002 0.000 0.807 131 P CB 0.298 31.907 31.700 -0.151 0.000 1.150 132 W N 1.843 123.191 121.300 0.079 0.000 2.274 132 W HA -0.014 4.647 4.660 0.001 0.000 0.345 132 W C 1.614 178.193 176.519 0.099 0.000 1.265 132 W CA 1.066 58.467 57.345 0.093 0.000 1.293 132 W CB 0.072 29.588 29.460 0.094 0.000 1.175 132 W HN 0.066 nan 8.180 nan 0.000 0.577 133 T N -0.264 114.470 114.554 0.299 0.000 3.034 133 T HA 0.275 4.626 4.350 0.001 0.000 0.248 133 T C 1.418 176.214 174.700 0.159 0.000 1.040 133 T CA 0.602 62.809 62.100 0.177 0.000 1.107 133 T CB 0.205 69.115 68.868 0.070 0.000 0.932 133 T HN 0.768 nan 8.240 nan 0.000 0.474 134 G N 2.100 111.026 108.800 0.210 0.000 2.582 134 G HA2 -0.279 3.682 3.960 0.001 0.000 0.288 134 G HA3 -0.279 3.682 3.960 0.001 0.000 0.288 134 G C -0.179 174.535 174.900 -0.310 0.000 1.247 134 G CA 0.004 45.181 45.100 0.128 0.000 0.972 134 G HN 0.764 nan 8.290 nan 0.000 0.557 135 F N 1.284 120.692 119.950 -0.904 0.000 2.608 135 F HA 0.483 5.011 4.527 0.001 0.000 0.380 135 F C 0.980 176.485 175.800 -0.491 0.000 1.083 135 F CA -0.029 57.311 58.000 -1.101 0.000 1.266 135 F CB 0.169 38.341 39.000 -1.379 0.000 1.076 135 F HN 0.382 nan 8.300 nan 0.000 0.574 136 I N 6.279 126.153 120.570 -1.161 0.000 2.330 136 I HA 0.284 4.455 4.170 0.001 0.000 0.289 136 I C 0.846 176.435 176.117 -0.879 0.000 1.001 136 I CA -0.617 60.256 61.300 -0.711 0.000 1.193 136 I CB 0.810 38.535 38.000 -0.458 0.000 1.345 136 I HN 0.757 nan 8.210 nan 0.000 0.461 137 G N 3.690 112.237 108.800 -0.423 0.000 2.484 137 G HA2 -0.046 3.915 3.960 0.001 0.000 0.235 137 G HA3 -0.046 3.915 3.960 0.001 0.000 0.235 137 G C 0.544 175.309 174.900 -0.225 0.000 1.282 137 G CA -0.280 44.704 45.100 -0.194 0.000 0.857 137 G HN 0.684 nan 8.290 nan 0.000 0.571 138 D N 1.969 122.310 120.400 -0.098 0.000 2.149 138 D HA -0.120 4.520 4.640 0.001 0.000 0.194 138 D C -0.019 176.250 176.300 -0.052 0.000 1.001 138 D CA 1.470 55.424 54.000 -0.077 0.000 0.849 138 D CB -0.912 39.924 40.800 0.059 0.000 0.939 138 D HN 0.296 nan 8.370 nan 0.000 0.449 139 P HA -0.091 nan 4.420 nan 0.000 0.219 139 P C 1.505 178.730 177.300 -0.125 0.000 1.146 139 P CA 0.673 63.755 63.100 -0.029 0.000 0.808 139 P CB 0.193 31.847 31.700 -0.076 0.000 0.779 140 V N -0.993 118.843 119.914 -0.130 0.000 2.407 140 V HA -0.152 3.969 4.120 0.001 0.000 0.245 140 V C 2.399 178.470 176.094 -0.038 0.000 1.041 140 V CA 1.368 63.609 62.300 -0.098 0.000 1.040 140 V CB -1.158 30.656 31.823 -0.016 0.000 0.671 140 V HN -0.052 nan 8.190 nan 0.000 0.455 141 V N 0.478 120.273 119.914 -0.197 0.000 2.282 141 V HA -0.334 3.787 4.120 0.001 0.000 0.249 141 V C 2.583 178.688 176.094 0.018 0.000 1.057 141 V CA 2.390 64.524 62.300 -0.277 0.000 1.032 141 V CB -0.868 30.614 31.823 -0.569 0.000 0.645 141 V HN 0.487 nan 8.190 nan 0.000 0.447 142 R N -0.575 119.907 120.500 -0.030 0.000 2.115 142 R HA -0.076 4.265 4.340 0.001 0.000 0.226 142 R C 2.512 178.785 176.300 -0.045 0.000 1.100 142 R CA 1.145 57.273 56.100 0.046 0.000 0.980 142 R CB -0.364 29.912 30.300 -0.041 0.000 0.875 142 R HN 0.486 nan 8.270 nan 0.000 0.445 143 R N 0.551 120.927 120.500 -0.206 0.000 2.083 143 R HA -0.145 4.196 4.340 0.001 0.000 0.237 143 R C 0.971 176.984 176.300 -0.478 0.000 1.137 143 R CA 1.670 57.506 56.100 -0.439 0.000 0.951 143 R CB -0.123 29.741 30.300 -0.727 0.000 0.851 143 R HN 0.116 nan 8.270 nan 0.000 0.434 144 F N -0.082 119.853 119.950 -0.026 0.000 2.765 144 F HA 0.327 4.855 4.527 0.001 0.000 0.302 144 F C 2.018 177.712 175.800 -0.177 0.000 1.111 144 F CA 0.287 58.243 58.000 -0.073 0.000 1.359 144 F CB -0.084 38.909 39.000 -0.012 0.000 1.097 144 F HN 0.165 nan 8.300 nan 0.000 0.577 145 G N 0.532 109.278 108.800 -0.090 0.000 2.440 145 G HA2 -0.282 3.679 3.960 0.001 0.000 0.218 145 G HA3 -0.282 3.679 3.960 0.001 0.000 0.218 145 G C 1.740 176.300 174.900 -0.565 0.000 1.154 145 G CA 0.763 45.563 45.100 -0.501 0.000 0.767 145 G HN 0.320 nan 8.290 nan 0.000 0.552 146 I N 0.407 120.787 120.570 -0.317 0.000 2.567 146 I HA -0.006 4.165 4.170 0.001 0.000 0.257 146 I C 2.417 178.387 176.117 -0.246 0.000 1.184 146 I CA 1.141 62.284 61.300 -0.262 0.000 1.451 146 I CB -0.010 37.903 38.000 -0.145 0.000 1.089 146 I HN 0.066 nan 8.210 nan 0.000 0.441 147 K N -0.890 119.390 120.400 -0.201 0.000 2.365 147 K HA 0.042 4.363 4.320 0.001 0.000 0.197 147 K C 1.956 178.368 176.600 -0.313 0.000 1.042 147 K CA 0.804 56.986 56.287 -0.174 0.000 0.987 147 K CB 0.023 32.483 32.500 -0.068 0.000 0.779 147 K HN 0.317 nan 8.250 nan 0.000 0.484 148 M N 0.483 119.780 119.600 -0.505 0.000 2.193 148 M HA -0.123 4.358 4.480 0.001 0.000 0.265 148 M C 2.231 177.855 176.300 -1.126 0.000 1.071 148 M CA 1.192 56.022 55.300 -0.784 0.000 1.140 148 M CB -0.168 31.822 32.600 -1.018 0.000 1.369 148 M HN 0.023 nan 8.290 nan 0.000 0.423 149 V N -0.572 118.731 119.914 -1.020 0.000 2.594 149 V HA -0.176 3.944 4.120 0.001 0.000 0.253 149 V C 1.103 176.828 176.094 -0.616 0.000 1.069 149 V CA 2.065 63.914 62.300 -0.751 0.000 1.082 149 V CB -1.114 30.452 31.823 -0.428 0.000 0.680 149 V HN 0.560 nan 8.190 nan 0.000 0.469 150 D N -2.837 117.279 120.400 -0.474 0.000 2.424 150 D HA 0.032 4.672 4.640 0.001 0.000 0.220 150 D C 0.633 176.874 176.300 -0.099 0.000 1.150 150 D CA -0.747 53.116 54.000 -0.229 0.000 0.831 150 D CB -0.948 39.804 40.800 -0.079 0.000 0.981 150 D HN 0.680 nan 8.370 nan 0.000 0.500 151 W N -0.167 121.118 121.300 -0.024 0.000 4.233 151 W HA -0.315 4.346 4.660 0.001 0.000 0.328 151 W C 1.751 178.223 176.519 -0.078 0.000 1.212 151 W CA 0.626 57.944 57.345 -0.045 0.000 0.752 151 W CB -2.716 26.733 29.460 -0.018 0.000 2.277 151 W HN 0.227 nan 8.180 nan 0.000 1.465 152 T N -0.803 113.761 114.554 0.017 0.000 2.881 152 T HA -0.072 4.279 4.350 0.001 0.000 0.270 152 T C 0.699 175.364 174.700 -0.057 0.000 1.068 152 T CA 1.344 63.455 62.100 0.018 0.000 1.131 152 T CB -0.021 68.883 68.868 0.060 0.000 0.871 152 T HN 0.220 nan 8.240 nan 0.000 0.479 153 I N 3.151 123.652 120.570 -0.115 0.000 2.291 153 I HA 0.282 4.453 4.170 0.001 0.000 0.290 153 I C -1.602 174.455 176.117 -0.101 0.000 1.050 153 I CA -2.429 58.759 61.300 -0.187 0.000 1.245 153 I CB 2.076 39.947 38.000 -0.215 0.000 1.405 153 I HN 0.075 nan 8.210 nan 0.000 0.478 154 P HA 0.144 nan 4.420 nan 0.000 0.235 154 P C 0.552 177.763 177.300 -0.148 0.000 1.177 154 P CA 0.539 63.557 63.100 -0.136 0.000 0.785 154 P CB 0.761 32.245 31.700 -0.359 0.000 0.885 155 G N -0.841 107.742 108.800 -0.362 0.000 2.321 155 G HA2 0.360 4.321 3.960 0.001 0.000 0.296 155 G HA3 0.360 4.321 3.960 0.001 0.000 0.296 155 G C -2.096 172.757 174.900 -0.077 0.000 1.287 155 G CA -0.624 44.403 45.100 -0.121 0.000 0.846 155 G HN -0.056 nan 8.290 nan 0.000 0.508 156 E N -0.840 119.382 120.200 0.037 0.000 2.292 156 E HA 0.685 5.036 4.350 0.001 0.000 0.272 156 E C -0.357 176.043 176.600 -0.334 0.000 0.881 156 E CA -0.369 56.020 56.400 -0.019 0.000 0.754 156 E CB 2.210 31.928 29.700 0.030 0.000 1.201 156 E HN 0.974 nan 8.360 nan 0.000 0.425 157 A N 3.498 126.143 122.820 -0.293 0.000 2.287 157 A HA 0.640 4.961 4.320 0.001 0.000 0.317 157 A C -0.628 176.879 177.584 -0.127 0.000 1.220 157 A CA -0.619 51.103 52.037 -0.525 0.000 0.835 157 A CB 0.184 18.948 19.000 -0.392 0.000 1.180 157 A HN 0.653 nan 8.150 nan 0.000 0.500 158 I N 4.022 124.543 120.570 -0.081 0.000 2.306 158 I HA 0.285 4.456 4.170 0.001 0.000 0.288 158 I C -0.625 175.539 176.117 0.078 0.000 1.036 158 I CA -0.018 61.323 61.300 0.068 0.000 1.221 158 I CB 0.852 38.873 38.000 0.034 0.000 1.385 158 I HN 0.489 nan 8.210 nan 0.000 0.472 159 I N 7.419 128.042 120.570 0.088 0.000 2.330 159 I HA 0.336 4.507 4.170 0.001 0.000 0.289 159 I C -0.729 175.455 176.117 0.111 0.000 1.001 159 I CA -0.614 60.740 61.300 0.089 0.000 1.193 159 I CB 1.566 39.601 38.000 0.059 0.000 1.345 159 I HN 0.387 nan 8.210 nan 0.000 0.461 160 L N 7.311 128.610 121.223 0.125 0.000 2.376 160 L HA 0.927 5.268 4.340 0.001 0.000 0.275 160 L C 0.053 177.039 176.870 0.193 0.000 0.987 160 L CA 0.433 55.349 54.840 0.127 0.000 0.828 160 L CB 1.315 43.402 42.059 0.047 0.000 1.249 160 L HN 0.829 nan 8.230 nan 0.000 0.409 161 G N 3.965 112.881 108.800 0.194 0.000 2.460 161 G HA2 -0.052 3.909 3.960 0.001 0.000 0.207 161 G HA3 -0.052 3.909 3.960 0.001 0.000 0.207 161 G C -1.074 173.938 174.900 0.187 0.000 1.170 161 G CA -0.206 45.032 45.100 0.230 0.000 1.151 161 G HN 0.795 nan 8.290 nan 0.000 0.575 162 R N 0.246 120.856 120.500 0.182 0.000 2.538 162 R HA 0.677 5.018 4.340 0.001 0.000 0.292 162 R C 0.297 176.690 176.300 0.156 0.000 1.008 162 R CA 0.106 56.294 56.100 0.148 0.000 0.896 162 R CB 1.420 31.794 30.300 0.123 0.000 1.187 162 R HN 1.578 nan 8.270 nan 0.000 0.440 163 A N 3.028 125.941 122.820 0.156 0.000 2.366 163 A HA 0.129 4.450 4.320 0.001 0.000 0.249 163 A C 1.078 178.718 177.584 0.093 0.000 1.084 163 A CA -0.085 52.076 52.037 0.206 0.000 0.794 163 A CB 0.461 19.597 19.000 0.227 0.000 1.034 163 A HN 1.002 nan 8.150 nan 0.000 0.491 164 K N -0.005 120.407 120.400 0.020 0.000 2.113 164 K HA -0.166 4.155 4.320 0.001 0.000 0.208 164 K C -0.151 176.373 176.600 -0.127 0.000 1.047 164 K CA 1.883 58.100 56.287 -0.115 0.000 0.928 164 K CB -0.439 31.882 32.500 -0.298 0.000 0.716 164 K HN 0.873 nan 8.250 nan 0.000 0.446 165 D N -2.534 117.773 120.400 -0.156 0.000 2.622 165 D HA 0.181 4.822 4.640 0.001 0.000 0.255 165 D C -0.183 176.083 176.300 -0.056 0.000 1.246 165 D CA -0.754 53.193 54.000 -0.089 0.000 0.795 165 D CB 1.424 42.165 40.800 -0.098 0.000 1.369 165 D HN -0.178 nan 8.370 nan 0.000 0.425 166 S N -0.552 115.132 115.700 -0.026 0.000 2.359 166 S HA -0.148 4.323 4.470 0.001 0.000 0.224 166 S C 1.598 176.191 174.600 -0.012 0.000 1.035 166 S CA 0.915 59.111 58.200 -0.008 0.000 1.018 166 S CB -0.241 62.956 63.200 -0.005 0.000 0.876 166 S HN 0.414 nan 8.310 nan 0.000 0.448 167 K N 1.593 121.977 120.400 -0.027 0.000 2.057 167 K HA 0.060 4.381 4.320 0.001 0.000 0.207 167 K C 2.331 178.920 176.600 -0.018 0.000 1.049 167 K CA 1.190 57.463 56.287 -0.023 0.000 0.931 167 K CB -0.741 31.740 32.500 -0.031 0.000 0.714 167 K HN 0.367 nan 8.250 nan 0.000 0.440 168 A N 1.682 124.472 122.820 -0.050 0.000 1.877 168 A HA -0.159 4.162 4.320 0.001 0.000 0.216 168 A C 2.245 179.883 177.584 0.089 0.000 1.186 168 A CA 1.270 53.284 52.037 -0.038 0.000 0.620 168 A CB -0.608 18.222 19.000 -0.283 0.000 0.822 168 A HN 0.212 nan 8.150 nan 0.000 0.443 169 L N -0.156 121.120 121.223 0.088 0.000 2.017 169 L HA -0.083 4.258 4.340 0.001 0.000 0.208 169 L C 2.704 179.611 176.870 0.062 0.000 1.073 169 L CA 2.280 57.194 54.840 0.123 0.000 0.745 169 L CB -0.855 41.263 42.059 0.098 0.000 0.894 169 L HN 0.352 nan 8.230 nan 0.000 0.432 170 A N -0.773 122.064 122.820 0.030 0.000 1.940 170 A HA -0.283 4.038 4.320 0.001 0.000 0.219 170 A C 2.467 180.062 177.584 0.018 0.000 1.176 170 A CA 2.063 54.106 52.037 0.010 0.000 0.631 170 A CB -0.652 18.347 19.000 -0.002 0.000 0.814 170 A HN 0.514 nan 8.150 nan 0.000 0.446 171 K N -0.502 119.914 120.400 0.027 0.000 2.026 171 K HA -0.086 4.235 4.320 0.001 0.000 0.208 171 K C 1.848 178.468 176.600 0.034 0.000 1.048 171 K CA 1.589 57.895 56.287 0.031 0.000 0.929 171 K CB -0.287 32.234 32.500 0.035 0.000 0.713 171 K HN 0.505 nan 8.250 nan 0.000 0.439 172 I N 0.494 121.091 120.570 0.046 0.000 2.286 172 I HA -0.258 3.913 4.170 0.001 0.000 0.248 172 I C 2.073 178.183 176.117 -0.010 0.000 1.115 172 I CA 0.813 62.123 61.300 0.018 0.000 1.392 172 I CB 0.068 38.086 38.000 0.029 0.000 1.065 172 I HN 0.008 nan 8.210 nan 0.000 0.418 173 V N 1.063 120.975 119.914 -0.005 0.000 2.453 173 V HA -0.255 3.866 4.120 0.001 0.000 0.247 173 V C 2.471 178.561 176.094 -0.007 0.000 1.048 173 V CA 1.762 64.045 62.300 -0.029 0.000 1.049 173 V CB -0.647 31.153 31.823 -0.039 0.000 0.672 173 V HN 0.459 nan 8.190 nan 0.000 0.457 174 K N 0.694 121.109 120.400 0.025 0.000 2.063 174 K HA -0.289 4.032 4.320 0.001 0.000 0.208 174 K C 2.125 178.774 176.600 0.080 0.000 1.048 174 K CA 2.321 58.650 56.287 0.071 0.000 0.928 174 K CB -0.250 32.285 32.500 0.059 0.000 0.713 174 K HN 0.578 nan 8.250 nan 0.000 0.442 175 E N 0.789 121.019 120.200 0.049 0.000 2.051 175 E HA -0.183 4.168 4.350 0.001 0.000 0.192 175 E C 2.261 178.898 176.600 0.061 0.000 0.991 175 E CA 1.151 57.583 56.400 0.053 0.000 0.799 175 E CB -0.100 29.614 29.700 0.024 0.000 0.748 175 E HN 0.396 nan 8.360 nan 0.000 0.449 176 L N 0.219 121.444 121.223 0.003 0.000 2.042 176 L HA -0.237 4.104 4.340 0.001 0.000 0.210 176 L C 2.796 179.735 176.870 0.115 0.000 1.076 176 L CA 1.296 56.135 54.840 -0.003 0.000 0.749 176 L CB -0.319 41.650 42.059 -0.149 0.000 0.893 176 L HN 0.311 nan 8.230 nan 0.000 0.432 177 M N -0.941 118.678 119.600 0.032 0.000 2.175 177 M HA -0.096 4.385 4.480 0.001 0.000 0.264 177 M C 2.239 178.560 176.300 0.034 0.000 1.063 177 M CA 1.703 56.976 55.300 -0.046 0.000 1.119 177 M CB -0.720 31.813 32.600 -0.113 0.000 1.377 177 M HN 0.353 nan 8.290 nan 0.000 0.415 178 G N -0.053 108.840 108.800 0.155 0.000 2.498 178 G HA2 -0.153 3.808 3.960 0.001 0.000 0.219 178 G HA3 -0.153 3.808 3.960 0.001 0.000 0.219 178 G C 1.349 176.355 174.900 0.177 0.000 1.119 178 G CA 0.419 45.642 45.100 0.205 0.000 0.766 178 G HN 0.405 nan 8.290 nan 0.000 0.552 179 M N 0.101 119.815 119.600 0.188 0.000 2.495 179 M HA 0.261 4.742 4.480 0.001 0.000 0.237 179 M C 1.744 178.093 176.300 0.081 0.000 1.131 179 M CA 0.598 56.022 55.300 0.207 0.000 1.032 179 M CB 0.647 33.468 32.600 0.369 0.000 1.513 179 M HN 0.281 nan 8.290 nan 0.000 0.488 180 G N 0.742 109.548 108.800 0.010 0.000 2.143 180 G HA2 -0.260 3.700 3.960 0.001 0.000 0.249 180 G HA3 -0.260 3.700 3.960 0.001 0.000 0.249 180 G C -0.051 174.721 174.900 -0.212 0.000 0.981 180 G CA -0.500 44.512 45.100 -0.146 0.000 0.665 180 G HN 0.377 nan 8.290 nan 0.000 0.528 181 F N 0.522 120.377 119.950 -0.159 0.000 2.572 181 F HA 0.412 4.939 4.527 0.001 0.000 0.370 181 F C 1.255 176.858 175.800 -0.328 0.000 1.103 181 F CA 0.353 58.241 58.000 -0.186 0.000 1.286 181 F CB 0.715 39.633 39.000 -0.137 0.000 1.105 181 F HN 0.206 nan 8.300 nan 0.000 0.583 182 M N 5.630 125.102 119.600 -0.212 0.000 2.200 182 M HA 0.415 4.896 4.480 0.001 0.000 0.355 182 M C -1.519 174.520 176.300 -0.434 0.000 1.283 182 M CA -0.001 55.028 55.300 -0.452 0.000 1.124 182 M CB 0.335 32.681 32.600 -0.424 0.000 1.625 182 M HN 0.474 nan 8.290 nan 0.000 0.463 183 L N 5.308 126.126 121.223 -0.675 0.000 2.346 183 L HA 0.613 4.954 4.340 0.001 0.000 0.274 183 L C -1.446 174.990 176.870 -0.724 0.000 1.007 183 L CA -0.639 53.898 54.840 -0.505 0.000 0.818 183 L CB 1.778 43.626 42.059 -0.352 0.000 1.284 183 L HN 0.654 nan 8.230 nan 0.000 0.424 184 F N 2.858 122.718 119.950 -0.150 0.000 2.507 184 F HA 0.600 5.127 4.527 0.001 0.000 0.328 184 F C -0.290 175.492 175.800 -0.030 0.000 1.136 184 F CA -0.461 57.514 58.000 -0.042 0.000 0.930 184 F CB 1.712 40.685 39.000 -0.045 0.000 1.166 184 F HN 0.155 nan 8.300 nan 0.000 0.436 185 I N 3.179 123.839 120.570 0.151 0.000 2.465 185 I HA 0.516 4.687 4.170 0.001 0.000 0.291 185 I C -0.930 175.280 176.117 0.156 0.000 1.014 185 I CA -0.517 60.847 61.300 0.106 0.000 1.093 185 I CB 1.992 40.005 38.000 0.021 0.000 1.267 185 I HN 0.577 nan 8.210 nan 0.000 0.431 186 C N 5.743 125.137 119.300 0.158 0.000 2.609 186 C HA 0.634 5.095 4.460 0.001 0.000 0.313 186 C C -0.589 174.512 174.990 0.185 0.000 1.175 186 C CA 0.033 59.163 59.018 0.188 0.000 1.434 186 C CB 0.054 27.894 27.740 0.167 0.000 2.005 186 C HN 1.031 nan 8.230 nan 0.000 0.471 187 D N 2.605 123.134 120.400 0.215 0.000 3.726 187 D HA -0.152 4.488 4.640 0.001 0.000 0.232 187 D C 0.485 176.897 176.300 0.186 0.000 1.609 187 D CA 0.555 54.675 54.000 0.200 0.000 1.143 187 D CB -0.498 40.413 40.800 0.185 0.000 0.732 187 D HN 0.737 nan 8.370 nan 0.000 0.907 188 E N 0.467 120.762 120.200 0.158 0.000 2.338 188 E HA 0.084 4.435 4.350 0.001 0.000 0.197 188 E C 1.917 178.590 176.600 0.121 0.000 1.007 188 E CA 1.279 57.762 56.400 0.139 0.000 0.849 188 E CB -0.203 29.565 29.700 0.114 0.000 0.774 188 E HN 0.452 nan 8.360 nan 0.000 0.506 189 A N 0.567 123.459 122.820 0.120 0.000 1.986 189 A HA -0.219 4.102 4.320 0.001 0.000 0.220 189 A C 2.359 179.982 177.584 0.064 0.000 1.171 189 A CA 1.420 53.513 52.037 0.092 0.000 0.640 189 A CB -0.718 18.340 19.000 0.098 0.000 0.811 189 A HN 0.180 nan 8.150 nan 0.000 0.451 190 V N -0.266 119.700 119.914 0.087 0.000 2.237 190 V HA -0.268 3.853 4.120 0.001 0.000 0.245 190 V C 2.502 178.603 176.094 0.011 0.000 1.046 190 V CA 2.495 64.814 62.300 0.032 0.000 1.007 190 V CB -0.827 31.069 31.823 0.121 0.000 0.638 190 V HN 0.607 nan 8.190 nan 0.000 0.445 191 E N -0.250 120.012 120.200 0.103 0.000 2.150 191 E HA -0.203 4.148 4.350 0.001 0.000 0.193 191 E C 2.274 178.901 176.600 0.045 0.000 0.985 191 E CA 0.988 57.447 56.400 0.098 0.000 0.814 191 E CB -0.265 29.526 29.700 0.152 0.000 0.752 191 E HN 0.643 nan 8.360 nan 0.000 0.466 192 Q N 0.002 119.828 119.800 0.044 0.000 2.061 192 Q HA -0.151 4.190 4.340 0.001 0.000 0.204 192 Q C 2.227 178.226 176.000 -0.003 0.000 0.984 192 Q CA 1.178 56.996 55.803 0.025 0.000 0.846 192 Q CB -0.204 28.556 28.738 0.036 0.000 0.902 192 Q HN 0.314 nan 8.270 nan 0.000 0.421 193 L N 0.227 121.438 121.223 -0.021 0.000 2.046 193 L HA -0.203 4.138 4.340 0.001 0.000 0.208 193 L C 2.337 179.160 176.870 -0.077 0.000 1.077 193 L CA 0.909 55.717 54.840 -0.055 0.000 0.747 193 L CB -0.373 41.636 42.059 -0.082 0.000 0.896 193 L HN 0.253 nan 8.230 nan 0.000 0.432 194 L N -0.237 120.931 121.223 -0.091 0.000 2.046 194 L HA -0.226 4.115 4.340 0.001 0.000 0.208 194 L C 2.665 179.502 176.870 -0.056 0.000 1.077 194 L CA 1.507 56.284 54.840 -0.105 0.000 0.747 194 L CB -0.532 41.448 42.059 -0.132 0.000 0.896 194 L HN 0.389 nan 8.230 nan 0.000 0.432 195 E N 0.261 120.446 120.200 -0.025 0.000 2.153 195 E HA -0.220 4.131 4.350 0.001 0.000 0.194 195 E C 1.314 177.903 176.600 -0.019 0.000 0.988 195 E CA 0.971 57.365 56.400 -0.010 0.000 0.811 195 E CB 0.118 29.822 29.700 0.007 0.000 0.746 195 E HN 0.369 nan 8.360 nan 0.000 0.466 196 E N 1.044 121.228 120.200 -0.027 0.000 2.463 196 E HA -0.008 4.343 4.350 0.001 0.000 0.191 196 E C -0.137 176.439 176.600 -0.040 0.000 1.083 196 E CA -0.033 56.350 56.400 -0.029 0.000 0.872 196 E CB -0.130 29.555 29.700 -0.025 0.000 0.966 196 E HN 0.310 nan 8.360 nan 0.000 0.491 197 N N 0.354 119.024 118.700 -0.051 0.000 2.725 197 N HA -0.177 4.564 4.740 0.001 0.000 0.249 197 N C 0.097 175.554 175.510 -0.088 0.000 1.103 197 N CA 0.858 53.868 53.050 -0.066 0.000 0.707 197 N CB -1.824 36.633 38.487 -0.049 0.000 1.043 197 N HN 0.180 nan 8.380 nan 0.000 0.553 198 V N 0.181 120.035 119.914 -0.100 0.000 2.530 198 V HA 0.185 4.306 4.120 0.001 0.000 0.282 198 V C 0.638 176.600 176.094 -0.219 0.000 1.048 198 V CA -0.566 61.660 62.300 -0.123 0.000 0.997 198 V CB 0.971 32.739 31.823 -0.091 0.000 0.987 198 V HN 0.005 nan 8.190 nan 0.000 0.477 199 K N 7.253 127.471 120.400 -0.303 0.000 2.379 199 K HA 0.445 4.766 4.320 0.001 0.000 0.284 199 K C -0.658 175.531 176.600 -0.684 0.000 1.044 199 K CA 0.105 56.010 56.287 -0.636 0.000 0.974 199 K CB 0.880 32.755 32.500 -1.041 0.000 0.962 199 K HN 0.712 nan 8.250 nan 0.000 0.474 200 L N 0.557 121.441 121.223 -0.565 0.000 2.327 200 L HA 0.730 5.071 4.340 0.001 0.000 0.258 200 L C 0.305 177.075 176.870 -0.166 0.000 1.024 200 L CA -0.845 53.788 54.840 -0.344 0.000 0.825 200 L CB 2.441 44.318 42.059 -0.303 0.000 1.386 200 L HN 0.861 nan 8.230 nan 0.000 0.417 201 G N 0.129 108.913 108.800 -0.026 0.000 2.339 201 G HA2 0.028 3.989 3.960 0.001 0.000 0.381 201 G HA3 0.028 3.989 3.960 0.001 0.000 0.381 201 G C 0.023 175.036 174.900 0.188 0.000 1.400 201 G CA -0.645 44.531 45.100 0.128 0.000 1.002 201 G HN 0.517 nan 8.290 nan 0.000 0.633 202 I N 0.155 120.882 120.570 0.261 0.000 2.194 202 I HA -0.171 4.000 4.170 0.001 0.000 0.246 202 I C 2.141 178.432 176.117 0.289 0.000 1.093 202 I CA 1.796 63.321 61.300 0.375 0.000 1.355 202 I CB -0.072 38.093 38.000 0.275 0.000 1.046 202 I HN 0.503 nan 8.210 nan 0.000 0.413 203 D N -0.378 120.101 120.400 0.133 0.000 2.350 203 D HA -0.142 4.499 4.640 0.001 0.000 0.216 203 D C 1.173 177.245 176.300 -0.380 0.000 0.968 203 D CA 1.244 55.197 54.000 -0.077 0.000 0.894 203 D CB -0.048 40.595 40.800 -0.260 0.000 0.909 203 D HN 0.470 nan 8.370 nan 0.000 0.520 204 Y N -0.355 119.842 120.300 -0.173 0.000 2.531 204 Y HA 0.292 4.842 4.550 0.001 0.000 0.249 204 Y C 0.915 176.444 175.900 -0.618 0.000 1.168 204 Y CA -0.371 57.510 58.100 -0.366 0.000 1.226 204 Y CB -0.038 38.235 38.460 -0.312 0.000 1.177 204 Y HN -0.200 nan 8.280 nan 0.000 0.527 205 I N -0.252 119.904 120.570 -0.690 0.000 6.267 205 I HA -0.330 3.841 4.170 0.001 0.000 0.126 205 I C 0.042 175.403 176.117 -1.260 0.000 1.812 205 I CA 0.759 61.342 61.300 -1.196 0.000 2.110 205 I CB -1.714 35.563 38.000 -1.205 0.000 3.441 205 I HN 0.233 nan 8.210 nan 0.000 0.191 206 A N 1.257 123.462 122.820 -1.025 0.000 2.605 206 A HA 0.733 5.054 4.320 0.001 0.000 0.293 206 A C -0.767 176.485 177.584 -0.554 0.000 1.216 206 A CA -0.313 51.273 52.037 -0.753 0.000 0.742 206 A CB 0.390 19.129 19.000 -0.435 0.000 1.170 206 A HN 0.225 nan 8.150 nan 0.000 0.443 207 Y N 2.417 122.506 120.300 -0.351 0.000 2.385 207 Y HA 0.463 5.014 4.550 0.001 0.000 0.341 207 Y C -2.415 173.415 175.900 -0.116 0.000 0.965 207 Y CA -3.208 54.759 58.100 -0.223 0.000 1.180 207 Y CB 0.988 39.292 38.460 -0.260 0.000 1.139 207 Y HN 0.429 nan 8.280 nan 0.000 0.502 208 P HA 0.205 nan 4.420 nan 0.000 0.286 208 P C 0.292 177.710 177.300 0.197 0.000 1.321 208 P CA -0.093 62.996 63.100 -0.019 0.000 0.790 208 P CB 0.963 32.418 31.700 -0.408 0.000 0.897 209 L N 1.881 123.276 121.223 0.288 0.000 2.162 209 L HA 0.225 4.566 4.340 0.001 0.000 0.205 209 L C 1.514 178.650 176.870 0.444 0.000 1.086 209 L CA 1.281 56.329 54.840 0.346 0.000 0.778 209 L CB -0.604 41.641 42.059 0.310 0.000 0.928 209 L HN 0.630 nan 8.230 nan 0.000 0.446 210 G N -0.422 108.682 108.800 0.507 0.000 2.217 210 G HA2 -0.116 3.845 3.960 0.001 0.000 0.173 210 G HA3 -0.116 3.845 3.960 0.001 0.000 0.173 210 G C -1.314 173.784 174.900 0.330 0.000 1.324 210 G CA -0.480 44.873 45.100 0.422 0.000 1.225 210 G HN 0.294 nan 8.290 nan 0.000 0.494 211 N N -1.012 117.847 118.700 0.265 0.000 2.455 211 N HA 0.716 5.457 4.740 0.001 0.000 0.278 211 N C -0.029 175.681 175.510 0.332 0.000 1.291 211 N CA -0.124 53.086 53.050 0.266 0.000 0.780 211 N CB 2.495 41.116 38.487 0.222 0.000 1.520 211 N HN 1.258 nan 8.380 nan 0.000 0.486 212 F N 0.191 120.211 119.950 0.116 0.000 2.183 212 F HA -0.405 4.123 4.527 0.002 0.000 0.318 212 F C 1.742 177.602 175.800 0.101 0.000 1.438 212 F CA 2.254 60.319 58.000 0.108 0.000 0.912 212 F CB -1.686 37.380 39.000 0.110 0.000 4.134 212 F HN 0.653 nan 8.300 nan 0.000 0.137 213 T N -0.484 113.842 114.554 -0.380 0.000 3.051 213 T HA -0.052 4.299 4.350 0.001 0.000 0.269 213 T C 1.361 175.961 174.700 -0.167 0.000 1.127 213 T CA 1.550 63.425 62.100 -0.374 0.000 1.107 213 T CB -0.317 68.264 68.868 -0.478 0.000 0.898 213 T HN 0.577 nan 8.240 nan 0.000 0.517 214 Q N 0.245 120.048 119.800 0.005 0.000 2.291 214 Q HA 0.128 4.469 4.340 0.001 0.000 0.206 214 Q C 1.970 177.962 176.000 -0.013 0.000 0.976 214 Q CA 0.571 56.419 55.803 0.075 0.000 0.875 214 Q CB -0.639 28.280 28.738 0.301 0.000 0.927 214 Q HN 0.506 nan 8.270 nan 0.000 0.450 215 I N -0.324 120.237 120.570 -0.016 0.000 2.229 215 I HA -0.279 3.892 4.170 0.001 0.000 0.250 215 I C 1.866 177.848 176.117 -0.225 0.000 1.096 215 I CA 1.152 62.418 61.300 -0.057 0.000 1.358 215 I CB -0.419 37.573 38.000 -0.012 0.000 1.047 215 I HN 0.128 nan 8.210 nan 0.000 0.422 216 V N 0.623 120.322 119.914 -0.359 0.000 3.078 216 V HA -0.242 3.879 4.120 0.001 0.000 0.265 216 V C 2.111 177.919 176.094 -0.478 0.000 1.122 216 V CA 1.663 63.649 62.300 -0.523 0.000 1.141 216 V CB -1.100 30.448 31.823 -0.458 0.000 0.735 216 V HN 0.524 nan 8.190 nan 0.000 0.498 217 H N -0.465 118.501 119.070 -0.173 0.000 2.551 217 H HA 0.240 4.797 4.556 0.001 0.000 0.266 217 H C 2.126 177.314 175.328 -0.232 0.000 0.977 217 H CA 0.910 56.857 56.048 -0.167 0.000 1.163 217 H CB -0.088 29.630 29.762 -0.074 0.000 1.381 217 H HN 0.569 nan 8.280 nan 0.000 0.581 218 A N 0.967 123.600 122.820 -0.311 0.000 1.898 218 A HA 0.070 4.391 4.320 0.001 0.000 0.214 218 A C 2.644 179.842 177.584 -0.643 0.000 1.183 218 A CA 1.160 52.694 52.037 -0.837 0.000 0.622 218 A CB -0.559 17.921 19.000 -0.867 0.000 0.824 218 A HN 0.371 nan 8.150 nan 0.000 0.444 219 A N 1.719 124.179 122.820 -0.600 0.000 1.858 219 A HA -0.233 4.088 4.320 0.001 0.000 0.216 219 A C 1.803 179.169 177.584 -0.363 0.000 1.190 219 A CA 2.166 53.778 52.037 -0.707 0.000 0.617 219 A CB -0.882 17.116 19.000 -1.670 0.000 0.827 219 A HN 0.759 nan 8.150 nan 0.000 0.443 220 N N -1.929 116.599 118.700 -0.287 0.000 2.396 220 N HA -0.148 4.593 4.740 0.001 0.000 0.180 220 N C 1.410 176.859 175.510 -0.102 0.000 1.028 220 N CA 1.526 54.490 53.050 -0.144 0.000 0.893 220 N CB -0.639 37.838 38.487 -0.017 0.000 0.967 220 N HN 0.525 nan 8.380 nan 0.000 0.440 221 Y N 1.141 121.296 120.300 -0.241 0.000 2.109 221 Y HA 0.099 4.649 4.550 0.001 0.000 0.285 221 Y C 2.583 178.446 175.900 -0.061 0.000 1.131 221 Y CA 1.637 59.636 58.100 -0.168 0.000 1.121 221 Y CB -0.901 37.508 38.460 -0.084 0.000 0.987 221 Y HN 0.132 nan 8.280 nan 0.000 0.495 222 A N 0.582 123.571 122.820 0.282 0.000 1.892 222 A HA -0.215 4.106 4.320 0.001 0.000 0.218 222 A C 2.334 180.055 177.584 0.228 0.000 1.188 222 A CA 2.177 54.403 52.037 0.316 0.000 0.631 222 A CB -1.349 17.836 19.000 0.308 0.000 0.822 222 A HN 0.562 nan 8.150 nan 0.000 0.447 223 L N -1.473 119.799 121.223 0.082 0.000 2.131 223 L HA -0.189 4.152 4.340 0.001 0.000 0.210 223 L C 2.808 179.586 176.870 -0.153 0.000 1.092 223 L CA 1.416 56.231 54.840 -0.042 0.000 0.759 223 L CB -0.545 41.391 42.059 -0.204 0.000 0.903 223 L HN 0.375 nan 8.230 nan 0.000 0.435 224 R N 0.108 120.480 120.500 -0.213 0.000 2.096 224 R HA -0.134 4.207 4.340 0.001 0.000 0.235 224 R C 2.514 178.595 176.300 -0.365 0.000 1.127 224 R CA 1.226 57.054 56.100 -0.453 0.000 0.968 224 R CB -0.444 29.560 30.300 -0.494 0.000 0.861 224 R HN 0.361 nan 8.270 nan 0.000 0.440 225 A N 0.508 123.293 122.820 -0.059 0.000 1.927 225 A HA -0.172 4.148 4.320 0.001 0.000 0.220 225 A C 2.300 179.923 177.584 0.065 0.000 1.185 225 A CA 2.040 54.219 52.037 0.237 0.000 0.639 225 A CB -1.118 18.206 19.000 0.540 0.000 0.820 225 A HN 0.509 nan 8.150 nan 0.000 0.451 226 G N -1.431 107.245 108.800 -0.206 0.000 2.430 226 G HA2 -0.043 3.918 3.960 0.001 0.000 0.216 226 G HA3 -0.043 3.918 3.960 0.001 0.000 0.216 226 G C 1.586 176.174 174.900 -0.521 0.000 1.146 226 G CA 0.893 45.508 45.100 -0.808 0.000 0.793 226 G HN 0.478 nan 8.290 nan 0.000 0.537 227 M N -0.263 119.107 119.600 -0.384 0.000 2.288 227 M HA 0.211 4.692 4.480 0.001 0.000 0.266 227 M C 2.422 178.559 176.300 -0.272 0.000 1.072 227 M CA 0.770 55.886 55.300 -0.308 0.000 1.132 227 M CB -0.134 32.249 32.600 -0.362 0.000 1.386 227 M HN 0.208 nan 8.290 nan 0.000 0.432 228 M N -0.522 118.825 119.600 -0.423 0.000 2.165 228 M HA -0.007 4.474 4.480 0.001 0.000 0.246 228 M C 1.881 177.994 176.300 -0.311 0.000 1.180 228 M CA 1.646 56.682 55.300 -0.439 0.000 1.095 228 M CB -0.535 31.557 32.600 -0.847 0.000 1.151 228 M HN 0.031 nan 8.290 nan 0.000 0.447 229 F N 0.325 120.252 119.950 -0.038 0.000 2.134 229 F HA -0.040 4.488 4.527 0.001 0.000 0.299 229 F C 2.523 178.364 175.800 0.067 0.000 1.097 229 F CA 1.407 59.437 58.000 0.050 0.000 1.264 229 F CB -1.563 37.536 39.000 0.165 0.000 1.001 229 F HN 0.318 nan 8.300 nan 0.000 0.479 230 G N -0.953 107.905 108.800 0.096 0.000 2.534 230 G HA2 0.172 4.133 3.960 0.001 0.000 0.217 230 G HA3 0.172 4.133 3.960 0.001 0.000 0.217 230 G C 1.706 176.588 174.900 -0.031 0.000 1.128 230 G CA 0.557 45.627 45.100 -0.051 0.000 0.784 230 G HN 0.710 nan 8.290 nan 0.000 0.542 231 G N -0.889 107.880 108.800 -0.053 0.000 2.187 231 G HA2 -0.256 3.705 3.960 0.001 0.000 0.261 231 G HA3 -0.256 3.705 3.960 0.001 0.000 0.261 231 G C 0.319 175.203 174.900 -0.026 0.000 1.000 231 G CA 0.299 45.392 45.100 -0.012 0.000 0.718 231 G HN 0.824 nan 8.290 nan 0.000 0.519 232 V N 1.636 121.492 119.914 -0.096 0.000 2.521 232 V HA 0.283 4.404 4.120 0.001 0.000 0.286 232 V C 1.352 177.437 176.094 -0.016 0.000 1.034 232 V CA 0.403 62.670 62.300 -0.055 0.000 1.045 232 V CB 0.728 32.491 31.823 -0.099 0.000 0.974 232 V HN 0.388 nan 8.190 nan 0.000 0.480 233 T N 8.646 123.210 114.554 0.017 0.000 2.822 233 T HA 0.059 4.409 4.350 0.001 0.000 0.288 233 T C -2.195 172.532 174.700 0.045 0.000 0.991 233 T CA -0.287 61.832 62.100 0.033 0.000 1.176 233 T CB 0.058 68.948 68.868 0.035 0.000 0.951 233 T HN 0.524 nan 8.240 nan 0.000 0.526 234 P HA 0.186 nan 4.420 nan 0.000 0.261 234 P C 1.083 178.431 177.300 0.080 0.000 1.183 234 P CA 0.985 64.130 63.100 0.075 0.000 0.761 234 P CB 0.224 31.980 31.700 0.094 0.000 0.785 235 G N 3.081 111.949 108.800 0.112 0.000 2.232 235 G HA2 -0.224 3.737 3.960 0.001 0.000 0.226 235 G HA3 -0.224 3.737 3.960 0.001 0.000 0.226 235 G C 0.482 175.452 174.900 0.116 0.000 0.996 235 G CA -0.050 45.126 45.100 0.126 0.000 0.626 235 G HN 0.786 nan 8.290 nan 0.000 0.509 236 A N 1.016 123.894 122.820 0.097 0.000 2.990 236 A HA 0.644 4.965 4.320 0.001 0.000 0.282 236 A C 1.433 179.074 177.584 0.095 0.000 1.688 236 A CA 1.080 53.163 52.037 0.077 0.000 1.391 236 A CB -0.318 18.717 19.000 0.058 0.000 1.112 236 A HN 0.504 nan 8.150 nan 0.000 0.588 237 R N 0.402 120.965 120.500 0.105 0.000 2.091 237 R HA -0.157 4.184 4.340 0.001 0.000 0.238 237 R C 1.372 177.660 176.300 -0.021 0.000 1.136 237 R CA 1.887 58.057 56.100 0.117 0.000 0.959 237 R CB 0.061 30.400 30.300 0.065 0.000 0.856 237 R HN 0.693 nan 8.270 nan 0.000 0.437 238 E N 0.620 120.784 120.200 -0.059 0.000 2.051 238 E HA -0.188 4.163 4.350 0.001 0.000 0.192 238 E C 1.876 178.430 176.600 -0.077 0.000 0.991 238 E CA 1.300 57.627 56.400 -0.122 0.000 0.799 238 E CB -0.236 29.436 29.700 -0.047 0.000 0.748 238 E HN 0.503 nan 8.360 nan 0.000 0.449 239 E N 0.673 120.879 120.200 0.010 0.000 2.118 239 E HA -0.191 4.160 4.350 0.001 0.000 0.195 239 E C 2.128 178.784 176.600 0.093 0.000 0.992 239 E CA 0.811 57.247 56.400 0.060 0.000 0.804 239 E CB 0.010 29.753 29.700 0.071 0.000 0.741 239 E HN 0.218 nan 8.360 nan 0.000 0.458 240 Q N 0.583 120.441 119.800 0.096 0.000 2.020 240 Q HA -0.153 4.188 4.340 0.001 0.000 0.202 240 Q C 2.202 178.301 176.000 0.164 0.000 0.982 240 Q CA 1.382 57.283 55.803 0.163 0.000 0.838 240 Q CB -0.384 28.509 28.738 0.258 0.000 0.899 240 Q HN 0.285 nan 8.270 nan 0.000 0.423 241 R N 0.709 121.188 120.500 -0.034 0.000 2.091 241 R HA -0.169 4.172 4.340 0.001 0.000 0.238 241 R C 2.058 178.155 176.300 -0.337 0.000 1.136 241 R CA 1.557 57.399 56.100 -0.430 0.000 0.959 241 R CB -0.365 29.154 30.300 -1.302 0.000 0.856 241 R HN 0.341 nan 8.270 nan 0.000 0.437 242 D N -0.106 120.195 120.400 -0.164 0.000 2.123 242 D HA -0.234 4.407 4.640 0.001 0.000 0.196 242 D C 1.759 178.181 176.300 0.203 0.000 0.992 242 D CA 1.060 55.165 54.000 0.176 0.000 0.833 242 D CB -0.107 40.796 40.800 0.171 0.000 0.954 242 D HN 0.243 nan 8.370 nan 0.000 0.455 243 Y N 0.667 121.020 120.300 0.089 0.000 2.165 243 Y HA -0.235 4.316 4.550 0.001 0.000 0.286 243 Y C 2.280 178.276 175.900 0.160 0.000 1.155 243 Y CA 1.709 59.869 58.100 0.101 0.000 1.164 243 Y CB -0.234 38.281 38.460 0.090 0.000 0.978 243 Y HN 0.006 nan 8.280 nan 0.000 0.513 244 Q N 0.096 120.143 119.800 0.412 0.000 2.030 244 Q HA -0.244 4.097 4.340 0.001 0.000 0.204 244 Q C 2.371 178.639 176.000 0.447 0.000 0.986 244 Q CA 1.870 57.954 55.803 0.468 0.000 0.843 244 Q CB -0.689 28.295 28.738 0.410 0.000 0.904 244 Q HN 0.316 nan 8.270 nan 0.000 0.420 245 R N 1.279 122.007 120.500 0.380 0.000 2.083 245 R HA -0.081 4.260 4.340 0.001 0.000 0.237 245 R C 2.066 178.505 176.300 0.231 0.000 1.137 245 R CA 1.746 58.078 56.100 0.385 0.000 0.951 245 R CB -0.395 30.189 30.300 0.474 0.000 0.851 245 R HN 0.187 nan 8.270 nan 0.000 0.434 246 R N -0.831 119.736 120.500 0.113 0.000 2.090 246 R HA 0.065 4.406 4.340 0.001 0.000 0.228 246 R C 1.822 178.087 176.300 -0.058 0.000 1.110 246 R CA 1.246 57.340 56.100 -0.009 0.000 0.973 246 R CB 0.020 30.267 30.300 -0.088 0.000 0.869 246 R HN 0.079 nan 8.270 nan 0.000 0.440 247 R N -0.385 120.028 120.500 -0.145 0.000 2.287 247 R HA 0.227 4.568 4.340 0.001 0.000 0.197 247 R C 0.295 176.706 176.300 0.184 0.000 0.900 247 R CA 0.272 56.245 56.100 -0.212 0.000 1.052 247 R CB 0.508 30.220 30.300 -0.982 0.000 1.117 247 R HN 0.019 nan 8.270 nan 0.000 0.568 248 I N 2.435 123.168 120.570 0.271 0.000 2.282 248 I HA 0.263 4.434 4.170 0.001 0.000 0.290 248 I C 0.118 176.366 176.117 0.219 0.000 1.090 248 I CA -0.578 60.927 61.300 0.341 0.000 1.231 248 I CB 0.739 39.008 38.000 0.448 0.000 1.434 248 I HN -0.250 nan 8.210 nan 0.000 0.487 249 R N 4.209 124.827 120.500 0.197 0.000 4.556 249 R HA 0.412 4.753 4.340 0.001 0.000 0.197 249 R C 0.180 176.499 176.300 0.031 0.000 1.791 249 R CA -0.000 56.188 56.100 0.148 0.000 1.526 249 R CB 0.048 30.455 30.300 0.178 0.000 1.410 249 R HN 0.690 nan 8.270 nan 0.000 0.826 250 A N 1.490 124.170 122.820 -0.232 0.000 2.325 250 A HA 0.736 5.057 4.320 0.001 0.000 0.333 250 A C -0.675 176.797 177.584 -0.188 0.000 1.155 250 A CA -0.643 51.089 52.037 -0.507 0.000 0.814 250 A CB 0.560 18.871 19.000 -1.149 0.000 1.206 250 A HN 0.440 nan 8.150 nan 0.000 0.482 251 F N -0.502 119.433 119.950 -0.025 0.000 2.643 251 F HA 0.751 5.279 4.527 0.001 0.000 0.314 251 F C -0.984 174.861 175.800 0.074 0.000 1.096 251 F CA -1.461 56.588 58.000 0.081 0.000 0.953 251 F CB 1.162 40.197 39.000 0.057 0.000 1.345 251 F HN 0.279 nan 8.300 nan 0.000 0.468 252 V N 2.913 123.049 119.914 0.370 0.000 2.398 252 V HA 0.398 4.519 4.120 0.001 0.000 0.286 252 V C -0.263 175.970 176.094 0.232 0.000 1.026 252 V CA -0.748 61.703 62.300 0.251 0.000 0.868 252 V CB 1.592 33.558 31.823 0.238 0.000 0.982 252 V HN 0.679 nan 8.190 nan 0.000 0.443 253 L N 5.493 126.831 121.223 0.192 0.000 2.270 253 L HA 0.384 4.725 4.340 0.001 0.000 0.286 253 L C -0.868 176.092 176.870 0.150 0.000 1.059 253 L CA -0.539 54.367 54.840 0.110 0.000 0.839 253 L CB 0.454 42.560 42.059 0.078 0.000 1.221 253 L HN 0.591 nan 8.230 nan 0.000 0.431 254 Y N 5.644 125.922 120.300 -0.037 0.000 2.518 254 Y HA 0.455 5.006 4.550 0.001 0.000 0.344 254 Y C -0.607 175.306 175.900 0.023 0.000 0.982 254 Y CA -1.263 56.827 58.100 -0.017 0.000 1.234 254 Y CB 0.468 38.859 38.460 -0.116 0.000 1.114 254 Y HN 0.380 nan 8.280 nan 0.000 0.515 255 L N 5.701 127.114 121.223 0.317 0.000 2.307 255 L HA 0.751 5.092 4.340 0.001 0.000 0.284 255 L C 0.725 177.726 176.870 0.219 0.000 1.023 255 L CA -0.455 54.505 54.840 0.200 0.000 0.810 255 L CB 1.362 43.530 42.059 0.181 0.000 1.231 255 L HN 0.837 nan 8.230 nan 0.000 0.423 256 G N 2.067 110.960 108.800 0.155 0.000 2.698 256 G HA2 -0.214 3.747 3.960 0.001 0.000 0.225 256 G HA3 -0.214 3.747 3.960 0.001 0.000 0.225 256 G C -0.453 174.532 174.900 0.142 0.000 1.345 256 G CA -0.542 44.641 45.100 0.139 0.000 0.871 256 G HN 0.801 nan 8.290 nan 0.000 0.540 257 E N 0.156 120.430 120.200 0.122 0.000 2.529 257 E HA 0.106 4.457 4.350 0.001 0.000 0.259 257 E C 0.510 177.266 176.600 0.260 0.000 0.966 257 E CA 0.111 56.583 56.400 0.119 0.000 0.937 257 E CB 0.043 29.801 29.700 0.096 0.000 0.923 257 E HN 0.495 nan 8.360 nan 0.000 0.468 258 H N 2.874 121.970 119.070 0.043 0.000 2.551 258 H HA 0.166 4.722 4.556 0.001 0.000 0.358 258 H C -0.510 174.955 175.328 0.228 0.000 1.151 258 H CA -0.439 55.702 56.048 0.155 0.000 1.374 258 H CB 0.960 30.769 29.762 0.079 0.000 1.473 258 H HN 0.585 nan 8.280 nan 0.000 0.574 259 D N 0.513 121.167 120.400 0.422 0.000 2.581 259 D HA 0.087 4.728 4.640 0.001 0.000 0.232 259 D C 1.135 177.607 176.300 0.288 0.000 1.143 259 D CA -0.902 53.270 54.000 0.287 0.000 0.881 259 D CB 1.149 42.075 40.800 0.210 0.000 1.500 259 D HN 0.560 nan 8.370 nan 0.000 0.458 260 M N 0.235 119.965 119.600 0.216 0.000 2.213 260 M HA -0.088 4.393 4.480 0.001 0.000 0.263 260 M C 0.620 177.027 176.300 0.179 0.000 1.062 260 M CA 1.295 56.709 55.300 0.188 0.000 1.105 260 M CB -0.401 32.295 32.600 0.159 0.000 1.385 260 M HN 0.271 nan 8.290 nan 0.000 0.417 261 V N 1.078 121.106 119.914 0.190 0.000 2.323 261 V HA -0.179 3.942 4.120 0.001 0.000 0.244 261 V C 2.570 178.779 176.094 0.192 0.000 1.041 261 V CA 1.890 64.308 62.300 0.197 0.000 1.025 261 V CB -0.800 31.179 31.823 0.261 0.000 0.656 261 V HN 0.510 nan 8.190 nan 0.000 0.451 262 K N -0.226 120.293 120.400 0.198 0.000 2.063 262 K HA -0.194 4.126 4.320 0.001 0.000 0.208 262 K C 2.228 178.838 176.600 0.016 0.000 1.048 262 K CA 2.025 58.362 56.287 0.085 0.000 0.928 262 K CB -0.325 32.232 32.500 0.095 0.000 0.713 262 K HN 0.490 nan 8.250 nan 0.000 0.442 263 T N 0.526 115.211 114.554 0.218 0.000 2.737 263 T HA -0.118 4.233 4.350 0.001 0.000 0.265 263 T C 1.864 176.750 174.700 0.310 0.000 1.038 263 T CA 1.264 63.577 62.100 0.356 0.000 1.144 263 T CB -0.217 68.875 68.868 0.375 0.000 0.866 263 T HN 0.328 nan 8.240 nan 0.000 0.434 264 A N 1.570 124.505 122.820 0.192 0.000 1.908 264 A HA 0.094 4.415 4.320 0.001 0.000 0.218 264 A C 2.646 180.372 177.584 0.237 0.000 1.181 264 A CA 1.933 54.068 52.037 0.164 0.000 0.627 264 A CB -1.147 17.916 19.000 0.105 0.000 0.818 264 A HN 0.508 nan 8.150 nan 0.000 0.445 265 A N -0.164 122.801 122.820 0.242 0.000 1.902 265 A HA 0.137 4.458 4.320 0.001 0.000 0.217 265 A C 2.509 180.324 177.584 0.385 0.000 1.181 265 A CA 2.153 54.397 52.037 0.345 0.000 0.623 265 A CB -1.036 18.122 19.000 0.264 0.000 0.818 265 A HN 1.112 nan 8.150 nan 0.000 0.443 266 A N -1.233 121.756 122.820 0.283 0.000 1.940 266 A HA -0.069 4.252 4.320 0.001 0.000 0.219 266 A C 1.964 179.745 177.584 0.328 0.000 1.176 266 A CA 1.459 53.681 52.037 0.308 0.000 0.631 266 A CB -0.812 18.362 19.000 0.290 0.000 0.814 266 A HN 0.502 nan 8.150 nan 0.000 0.446 267 F N 0.347 120.403 119.950 0.177 0.000 2.269 267 F HA -0.079 4.449 4.527 0.001 0.000 0.301 267 F C 2.523 178.261 175.800 -0.103 0.000 1.082 267 F CA 0.871 58.923 58.000 0.087 0.000 1.360 267 F CB -0.302 38.729 39.000 0.050 0.000 1.041 267 F HN 0.329 nan 8.300 nan 0.000 0.512 268 G N -0.507 108.179 108.800 -0.190 0.000 2.408 268 G HA2 -0.196 3.765 3.960 0.001 0.000 0.217 268 G HA3 -0.196 3.765 3.960 0.001 0.000 0.217 268 G C 1.866 176.114 174.900 -1.087 0.000 1.150 268 G CA 0.728 45.203 45.100 -1.041 0.000 0.776 268 G HN 0.430 nan 8.290 nan 0.000 0.542 269 A N 0.854 123.524 122.820 -0.250 0.000 1.898 269 A HA 0.064 4.385 4.320 0.001 0.000 0.216 269 A C 2.385 180.008 177.584 0.065 0.000 1.181 269 A CA 1.235 53.378 52.037 0.177 0.000 0.620 269 A CB -0.355 19.005 19.000 0.601 0.000 0.819 269 A HN 0.362 nan 8.150 nan 0.000 0.442 270 I N -1.690 118.931 120.570 0.086 0.000 2.163 270 I HA -0.269 3.902 4.170 0.001 0.000 0.243 270 I C 2.326 178.427 176.117 -0.027 0.000 1.085 270 I CA 1.751 63.104 61.300 0.088 0.000 1.347 270 I CB -0.456 37.466 38.000 -0.130 0.000 1.044 270 I HN 0.450 nan 8.210 nan 0.000 0.408 271 F N 1.804 121.577 119.950 -0.295 0.000 2.141 271 F HA -0.337 4.191 4.527 0.002 0.000 0.300 271 F C 2.180 177.889 175.800 -0.150 0.000 1.079 271 F CA 2.210 60.022 58.000 -0.314 0.000 1.264 271 F CB -0.390 38.349 39.000 -0.434 0.000 1.011 271 F HN 0.005 nan 8.300 nan 0.000 0.487 272 T N -0.901 113.536 114.554 -0.194 0.000 3.086 272 T HA 0.334 4.685 4.350 0.001 0.000 0.250 272 T C 1.273 175.874 174.700 -0.165 0.000 1.074 272 T CA 0.588 62.517 62.100 -0.285 0.000 0.988 272 T CB 0.081 68.768 68.868 -0.303 0.000 0.988 272 T HN 0.547 nan 8.240 nan 0.000 0.530 273 G N 1.628 110.478 108.800 0.082 0.000 2.138 273 G HA2 -0.154 3.807 3.960 0.001 0.000 0.193 273 G HA3 -0.154 3.807 3.960 0.001 0.000 0.193 273 G C -0.313 174.984 174.900 0.661 0.000 0.998 273 G CA -0.837 44.493 45.100 0.384 0.000 0.668 273 G HN 0.376 nan 8.290 nan 0.000 0.516 274 F N 1.743 122.038 119.950 0.576 0.000 2.415 274 F HA 0.567 5.094 4.527 0.001 0.000 0.348 274 F C -1.518 174.634 175.800 0.588 0.000 1.119 274 F CA -3.800 54.505 58.000 0.508 0.000 1.069 274 F CB 1.417 40.659 39.000 0.403 0.000 1.124 274 F HN -0.113 nan 8.300 nan 0.000 0.472 275 P HA 0.280 nan 4.420 nan 0.000 0.277 275 P C -0.874 176.649 177.300 0.371 0.000 1.240 275 P CA -0.295 63.092 63.100 0.478 0.000 0.798 275 P CB 1.918 33.715 31.700 0.161 0.000 0.979 276 V N 3.725 123.801 119.914 0.269 0.000 2.384 276 V HA 0.299 4.420 4.120 0.001 0.000 0.287 276 V C 0.257 176.169 176.094 -0.303 0.000 1.020 276 V CA -0.455 61.893 62.300 0.080 0.000 0.850 276 V CB 1.076 33.001 31.823 0.171 0.000 0.987 276 V HN 0.342 nan 8.190 nan 0.000 0.436 277 I N 3.945 124.304 120.570 -0.351 0.000 2.362 277 I HA 0.469 4.640 4.170 0.001 0.000 0.289 277 I C 0.359 176.250 176.117 -0.376 0.000 0.994 277 I CA 0.272 61.193 61.300 -0.631 0.000 1.158 277 I CB 1.974 39.638 38.000 -0.560 0.000 1.315 277 I HN 0.610 nan 8.210 nan 0.000 0.451 278 T N 3.043 117.346 114.554 -0.417 0.000 2.895 278 T HA 0.231 4.582 4.350 0.001 0.000 0.283 278 T C 0.768 175.346 174.700 -0.203 0.000 1.014 278 T CA -0.602 61.349 62.100 -0.249 0.000 1.037 278 T CB 0.812 69.530 68.868 -0.249 0.000 1.006 278 T HN 0.727 nan 8.240 nan 0.000 0.468 279 D N 2.672 122.990 120.400 -0.135 0.000 2.363 279 D HA -0.023 4.618 4.640 0.001 0.000 0.226 279 D C 0.250 176.527 176.300 -0.039 0.000 1.020 279 D CA 0.354 54.302 54.000 -0.087 0.000 0.892 279 D CB 0.192 40.983 40.800 -0.016 0.000 0.900 279 D HN 0.316 nan 8.370 nan 0.000 0.531 280 Q N 1.568 121.309 119.800 -0.098 0.000 2.261 280 Q HA 0.310 4.651 4.340 0.001 0.000 0.252 280 Q C -2.255 173.676 176.000 -0.114 0.000 0.915 280 Q CA -2.200 53.517 55.803 -0.144 0.000 0.915 280 Q CB 1.071 29.592 28.738 -0.361 0.000 1.204 280 Q HN 0.211 nan 8.270 nan 0.000 0.421 281 P HA 0.159 nan 4.420 nan 0.000 0.271 281 P C -0.674 176.596 177.300 -0.051 0.000 1.216 281 P CA 0.096 63.170 63.100 -0.044 0.000 0.771 281 P CB 0.631 32.314 31.700 -0.029 0.000 0.864 282 L N 5.069 126.288 121.223 -0.007 0.000 2.362 282 L HA 0.454 4.795 4.340 0.001 0.000 0.275 282 L C -1.880 175.007 176.870 0.029 0.000 0.998 282 L CA -2.386 52.467 54.840 0.022 0.000 0.820 282 L CB 1.588 43.707 42.059 0.101 0.000 1.270 282 L HN 0.231 nan 8.230 nan 0.000 0.415 283 P HA 0.042 nan 4.420 nan 0.000 0.270 283 P C 0.391 177.702 177.300 0.019 0.000 1.227 283 P CA -0.285 62.822 63.100 0.011 0.000 0.788 283 P CB 0.609 32.310 31.700 0.000 0.000 0.926 284 E N 1.071 121.275 120.200 0.007 0.000 2.118 284 E HA -0.207 4.144 4.350 0.001 0.000 0.195 284 E C 0.750 177.339 176.600 -0.020 0.000 0.992 284 E CA 1.488 57.889 56.400 0.002 0.000 0.804 284 E CB -0.387 29.310 29.700 -0.005 0.000 0.741 284 E HN 0.613 nan 8.360 nan 0.000 0.458 285 D N 0.337 120.713 120.400 -0.039 0.000 2.325 285 D HA -0.024 4.617 4.640 0.001 0.000 0.234 285 D C 0.804 177.034 176.300 -0.115 0.000 1.122 285 D CA 0.175 54.120 54.000 -0.090 0.000 0.850 285 D CB 0.152 40.899 40.800 -0.088 0.000 0.921 285 D HN -0.069 nan 8.370 nan 0.000 0.513 286 K N 0.247 120.622 120.400 -0.041 0.000 2.592 286 K HA 0.137 4.458 4.320 0.001 0.000 0.203 286 K C -0.115 176.572 176.600 0.145 0.000 1.070 286 K CA -0.101 56.189 56.287 0.005 0.000 1.062 286 K CB 1.065 33.605 32.500 0.068 0.000 0.814 286 K HN 0.399 nan 8.250 nan 0.000 0.502 287 Q N -0.555 119.312 119.800 0.113 0.000 2.456 287 Q HA 0.602 4.943 4.340 0.001 0.000 0.284 287 Q C -0.929 175.172 176.000 0.169 0.000 1.061 287 Q CA -0.692 55.272 55.803 0.268 0.000 0.799 287 Q CB 1.712 30.606 28.738 0.260 0.000 1.445 287 Q HN 0.016 nan 8.270 nan 0.000 0.411 288 I N 1.778 122.522 120.570 0.291 0.000 2.468 288 I HA 0.417 4.588 4.170 0.001 0.000 0.284 288 I C -2.386 173.903 176.117 0.286 0.000 1.038 288 I CA -2.501 58.923 61.300 0.207 0.000 1.083 288 I CB 2.179 40.240 38.000 0.102 0.000 1.223 288 I HN 0.517 nan 8.210 nan 0.000 0.443 289 P HA 0.031 nan 4.420 nan 0.000 0.266 289 P C -0.132 177.115 177.300 -0.087 0.000 1.193 289 P CA 0.521 63.587 63.100 -0.056 0.000 0.770 289 P CB 0.389 32.048 31.700 -0.068 0.000 0.836 290 D N -0.430 119.674 120.400 -0.494 0.000 2.673 290 D HA -0.225 4.416 4.640 0.001 0.000 0.186 290 D C 0.557 176.670 176.300 -0.312 0.000 1.079 290 D CA 1.913 55.609 54.000 -0.506 0.000 1.050 290 D CB -1.445 39.024 40.800 -0.552 0.000 1.118 290 D HN 0.556 nan 8.370 nan 0.000 0.426 291 W N -0.709 120.851 121.300 0.433 0.000 3.097 291 W HA 0.399 5.060 4.660 0.001 0.000 0.245 291 W C 0.385 177.168 176.519 0.440 0.000 1.120 291 W CA -0.426 57.183 57.345 0.440 0.000 1.468 291 W CB 0.687 30.408 29.460 0.436 0.000 0.851 291 W HN -0.037 nan 8.180 nan 0.000 0.692 292 F N 2.289 122.546 119.950 0.512 0.000 3.361 292 F HA 0.327 4.855 4.527 0.001 0.000 0.390 292 F C -1.120 174.880 175.800 0.332 0.000 1.251 292 F CA -1.824 56.359 58.000 0.306 0.000 1.260 292 F CB -0.033 39.123 39.000 0.260 0.000 1.847 292 F HN -0.143 nan 8.300 nan 0.000 0.673 293 F N 1.331 121.272 119.950 -0.014 0.000 2.685 293 F HA 0.758 5.286 4.527 0.002 0.000 0.315 293 F C -1.004 174.744 175.800 -0.086 0.000 1.126 293 F CA -1.480 56.526 58.000 0.010 0.000 0.950 293 F CB 1.143 40.157 39.000 0.023 0.000 1.360 293 F HN 0.091 nan 8.300 nan 0.000 0.469 294 S N 0.809 116.557 115.700 0.080 0.000 2.480 294 S HA 0.747 5.218 4.470 0.001 0.000 0.286 294 S C -1.322 173.281 174.600 0.005 0.000 1.180 294 S CA -0.413 57.763 58.200 -0.039 0.000 1.075 294 S CB 1.028 64.236 63.200 0.012 0.000 0.996 294 S HN 0.652 nan 8.310 nan 0.000 0.487 295 V N 5.962 125.813 119.914 -0.105 0.000 2.419 295 V HA 0.353 4.474 4.120 0.001 0.000 0.287 295 V C 0.537 176.577 176.094 -0.090 0.000 1.017 295 V CA -0.523 61.734 62.300 -0.070 0.000 0.844 295 V CB 1.254 33.013 31.823 -0.106 0.000 1.011 295 V HN 1.004 nan 8.190 nan 0.000 0.429 296 E N 1.299 121.485 120.200 -0.024 0.000 2.299 296 E HA -0.032 4.319 4.350 0.001 0.000 0.193 296 E C 0.384 177.040 176.600 0.093 0.000 0.998 296 E CA 0.216 56.633 56.400 0.028 0.000 0.851 296 E CB 0.391 30.112 29.700 0.035 0.000 0.795 296 E HN 0.677 nan 8.360 nan 0.000 0.492 297 D N -0.258 120.171 120.400 0.048 0.000 2.352 297 D HA -0.026 4.615 4.640 0.001 0.000 0.245 297 D C 0.217 176.564 176.300 0.079 0.000 1.224 297 D CA -0.088 53.961 54.000 0.081 0.000 0.879 297 D CB 0.317 41.138 40.800 0.035 0.000 1.057 297 D HN -0.019 nan 8.370 nan 0.000 0.491 298 Y N 1.871 122.154 120.300 -0.027 0.000 2.315 298 Y HA -0.169 4.382 4.550 0.002 0.000 0.288 298 Y C 1.821 177.701 175.900 -0.033 0.000 1.154 298 Y CA 1.086 59.167 58.100 -0.030 0.000 1.229 298 Y CB 0.148 38.594 38.460 -0.022 0.000 0.980 298 Y HN 0.466 nan 8.280 nan 0.000 0.540 299 D N -0.675 119.784 120.400 0.097 0.000 2.317 299 D HA -0.078 4.563 4.640 0.001 0.000 0.211 299 D C 1.518 177.814 176.300 -0.007 0.000 0.966 299 D CA 0.930 54.953 54.000 0.039 0.000 0.876 299 D CB 0.028 40.849 40.800 0.034 0.000 0.927 299 D HN 0.391 nan 8.370 nan 0.000 0.519 300 K N -0.041 120.343 120.400 -0.027 0.000 2.353 300 K HA 0.201 4.521 4.320 0.001 0.000 0.195 300 K C 2.005 178.543 176.600 -0.104 0.000 1.031 300 K CA -0.197 56.058 56.287 -0.053 0.000 1.079 300 K CB 0.997 33.477 32.500 -0.035 0.000 0.857 300 K HN 0.101 nan 8.250 nan 0.000 0.535 301 I N 0.967 121.446 120.570 -0.151 0.000 2.091 301 I HA -0.344 3.827 4.170 0.001 0.000 0.239 301 I C 2.208 178.171 176.117 -0.258 0.000 1.061 301 I CA 1.482 62.643 61.300 -0.232 0.000 1.317 301 I CB -0.399 37.404 38.000 -0.328 0.000 1.031 301 I HN -0.113 nan 8.210 nan 0.000 0.401 302 V N 0.466 120.246 119.914 -0.223 0.000 2.255 302 V HA -0.349 3.771 4.120 0.001 0.000 0.247 302 V C 2.484 178.431 176.094 -0.245 0.000 1.051 302 V CA 2.281 64.427 62.300 -0.258 0.000 1.018 302 V CB -0.863 30.855 31.823 -0.176 0.000 0.641 302 V HN 0.547 nan 8.190 nan 0.000 0.445 303 Q N -0.343 119.369 119.800 -0.148 0.000 2.096 303 Q HA -0.232 4.109 4.340 0.001 0.000 0.204 303 Q C 2.238 178.161 176.000 -0.129 0.000 0.982 303 Q CA 2.273 58.012 55.803 -0.106 0.000 0.850 303 Q CB -0.203 28.497 28.738 -0.063 0.000 0.901 303 Q HN 0.659 nan 8.270 nan 0.000 0.422 304 I N 0.681 121.169 120.570 -0.137 0.000 2.252 304 I HA -0.240 3.931 4.170 0.001 0.000 0.245 304 I C 2.520 178.537 176.117 -0.167 0.000 1.102 304 I CA 0.849 62.089 61.300 -0.100 0.000 1.385 304 I CB -0.437 37.548 38.000 -0.025 0.000 1.064 304 I HN 0.272 nan 8.210 nan 0.000 0.414 305 A N 0.862 123.464 122.820 -0.363 0.000 1.873 305 A HA -0.278 4.043 4.320 0.001 0.000 0.218 305 A C 2.364 179.597 177.584 -0.585 0.000 1.193 305 A CA 2.000 53.617 52.037 -0.701 0.000 0.629 305 A CB -0.698 17.441 19.000 -1.435 0.000 0.826 305 A HN 0.331 nan 8.150 nan 0.000 0.447 306 M N -0.972 118.374 119.600 -0.423 0.000 2.080 306 M HA -0.210 4.271 4.480 0.001 0.000 0.260 306 M C 2.131 178.404 176.300 -0.045 0.000 1.068 306 M CA 2.002 57.251 55.300 -0.086 0.000 1.109 306 M CB -0.578 32.043 32.600 0.034 0.000 1.342 306 M HN 0.508 nan 8.290 nan 0.000 0.405 307 E N -0.322 119.831 120.200 -0.078 0.000 2.058 307 E HA -0.170 4.180 4.350 0.001 0.000 0.194 307 E C 1.965 178.521 176.600 -0.073 0.000 0.997 307 E CA 1.901 58.262 56.400 -0.064 0.000 0.801 307 E CB -0.294 29.365 29.700 -0.068 0.000 0.746 307 E HN 0.503 nan 8.360 nan 0.000 0.450 308 T N 0.863 115.369 114.554 -0.079 0.000 2.684 308 T HA -0.189 4.162 4.350 0.001 0.000 0.267 308 T C 1.882 176.537 174.700 -0.075 0.000 1.036 308 T CA 1.564 63.614 62.100 -0.083 0.000 1.148 308 T CB -0.178 68.700 68.868 0.016 0.000 0.863 308 T HN -0.026 nan 8.240 nan 0.000 0.436 309 R N 0.882 121.376 120.500 -0.010 0.000 2.148 309 R HA 0.100 4.441 4.340 0.001 0.000 0.223 309 R C 1.507 177.834 176.300 0.045 0.000 1.088 309 R CA 1.139 57.289 56.100 0.084 0.000 0.985 309 R CB -0.618 29.842 30.300 0.267 0.000 0.880 309 R HN 0.521 nan 8.270 nan 0.000 0.451 310 G N -0.491 108.313 108.800 0.006 0.000 2.141 310 G HA2 -0.207 3.754 3.960 0.001 0.000 0.195 310 G HA3 -0.207 3.754 3.960 0.001 0.000 0.195 310 G C -0.178 174.706 174.900 -0.027 0.000 1.012 310 G CA 0.041 45.125 45.100 -0.026 0.000 0.696 310 G HN 0.238 nan 8.290 nan 0.000 0.508 311 I N 0.951 121.536 120.570 0.026 0.000 2.325 311 I HA 0.394 4.565 4.170 0.001 0.000 0.291 311 I C 0.428 176.553 176.117 0.012 0.000 1.019 311 I CA -0.267 61.051 61.300 0.030 0.000 1.302 311 I CB 1.191 39.301 38.000 0.183 0.000 1.401 311 I HN -0.139 nan 8.210 nan 0.000 0.485 312 K N 7.278 127.651 120.400 -0.045 0.000 2.324 312 K HA 0.774 5.095 4.320 0.001 0.000 0.253 312 K C -1.198 175.383 176.600 -0.032 0.000 0.932 312 K CA -0.734 55.533 56.287 -0.033 0.000 0.799 312 K CB 2.668 35.133 32.500 -0.058 0.000 1.154 312 K HN 0.455 nan 8.250 nan 0.000 0.425 313 L N -1.133 120.092 121.223 0.003 0.000 2.568 313 L HA 0.632 4.973 4.340 0.001 0.000 0.257 313 L C 0.154 177.036 176.870 0.020 0.000 1.024 313 L CA -0.719 54.127 54.840 0.011 0.000 0.854 313 L CB 1.752 43.830 42.059 0.032 0.000 1.460 313 L HN 0.511 nan 8.230 nan 0.000 0.409 314 T N -2.202 112.364 114.554 0.020 0.000 3.321 314 T HA 0.167 4.518 4.350 0.001 0.000 0.251 314 T C -0.147 174.573 174.700 0.033 0.000 0.999 314 T CA 0.207 62.320 62.100 0.021 0.000 1.186 314 T CB -0.127 68.746 68.868 0.008 0.000 1.163 314 T HN 0.569 nan 8.240 nan 0.000 0.399 315 K N 2.908 123.327 120.400 0.032 0.000 4.748 315 K HA -0.142 4.178 4.320 0.001 0.000 0.277 315 K C 0.181 176.808 176.600 0.044 0.000 0.718 315 K CA 0.006 56.317 56.287 0.040 0.000 0.750 315 K CB -1.924 30.613 32.500 0.061 0.000 2.012 315 K HN 0.562 nan 8.250 nan 0.000 0.392 316 I N 1.172 121.752 120.570 0.016 0.000 2.974 316 I HA -0.284 3.887 4.170 0.001 0.000 0.185 316 I C 0.366 176.493 176.117 0.016 0.000 0.951 316 I CA 0.611 61.912 61.300 0.002 0.000 2.587 316 I CB -0.021 37.961 38.000 -0.030 0.000 0.778 316 I HN 0.410 nan 8.210 nan 0.000 0.367 317 K N 6.689 127.112 120.400 0.038 0.000 2.491 317 K HA 0.067 4.387 4.320 0.001 0.000 0.279 317 K C -0.370 176.228 176.600 -0.003 0.000 1.026 317 K CA 0.113 56.434 56.287 0.057 0.000 1.070 317 K CB 0.409 32.947 32.500 0.064 0.000 0.887 317 K HN 0.635 nan 8.250 nan 0.000 0.481 318 L N 3.571 124.767 121.223 -0.045 0.000 2.397 318 L HA 0.116 4.457 4.340 0.001 0.000 0.271 318 L C -0.161 176.652 176.870 -0.096 0.000 1.148 318 L CA -0.157 54.587 54.840 -0.160 0.000 0.825 318 L CB 0.763 42.556 42.059 -0.444 0.000 1.117 318 L HN 0.703 nan 8.230 nan 0.000 0.456 319 D N 4.432 124.776 120.400 -0.093 0.000 2.468 319 D HA 0.421 5.062 4.640 0.001 0.000 0.218 319 D C -0.772 175.492 176.300 -0.061 0.000 1.155 319 D CA 0.191 54.157 54.000 -0.057 0.000 0.924 319 D CB 0.218 40.988 40.800 -0.049 0.000 1.029 319 D HN 0.216 nan 8.370 nan 0.000 0.515 320 L N 3.356 124.556 121.223 -0.039 0.000 2.350 320 L HA 0.502 4.843 4.340 0.001 0.000 0.260 320 L C -1.259 175.610 176.870 -0.000 0.000 1.015 320 L CA -1.603 53.226 54.840 -0.018 0.000 0.821 320 L CB 2.308 44.365 42.059 -0.003 0.000 1.370 320 L HN 0.143 nan 8.230 nan 0.000 0.416 321 P HA 0.057 nan 4.420 nan 0.000 0.236 321 P C -0.054 177.247 177.300 0.002 0.000 1.177 321 P CA 0.684 63.784 63.100 -0.000 0.000 0.773 321 P CB 0.229 31.925 31.700 -0.007 0.000 0.878 322 I N -3.348 117.233 120.570 0.017 0.000 2.607 322 I HA 0.518 4.689 4.170 0.001 0.000 0.305 322 I C 0.032 176.136 176.117 -0.021 0.000 0.995 322 I CA -1.335 59.947 61.300 -0.030 0.000 1.148 322 I CB 0.912 38.880 38.000 -0.052 0.000 1.323 322 I HN -0.351 nan 8.210 nan 0.000 0.461 323 N N 2.618 121.245 118.700 -0.122 0.000 2.399 323 N HA 0.360 5.101 4.740 0.001 0.000 0.250 323 N C -1.516 174.000 175.510 0.010 0.000 1.272 323 N CA 0.124 53.137 53.050 -0.063 0.000 0.928 323 N CB 0.750 39.151 38.487 -0.144 0.000 1.158 323 N HN 0.639 nan 8.380 nan 0.000 0.463 324 F N 0.038 120.052 119.950 0.105 0.000 2.588 324 F HA 0.627 5.155 4.527 0.001 0.000 0.318 324 F C -0.024 175.994 175.800 0.364 0.000 1.155 324 F CA 0.066 58.204 58.000 0.230 0.000 0.967 324 F CB 1.210 40.308 39.000 0.163 0.000 1.236 324 F HN 0.573 nan 8.300 nan 0.000 0.455 325 G N 5.079 113.816 108.800 -0.104 0.000 2.313 325 G HA2 0.259 4.220 3.960 0.001 0.000 0.296 325 G HA3 0.259 4.220 3.960 0.001 0.000 0.296 325 G C -2.950 171.414 174.900 -0.893 0.000 1.356 325 G CA -0.687 44.250 45.100 -0.272 0.000 0.833 325 G HN 0.267 nan 8.290 nan 0.000 0.552 326 P HA -0.058 nan 4.420 nan 0.000 0.219 326 P C 2.026 178.843 177.300 -0.804 0.000 1.146 326 P CA 2.065 64.467 63.100 -1.163 0.000 0.808 326 P CB 0.012 31.335 31.700 -0.627 0.000 0.779 327 A N -0.313 122.029 122.820 -0.798 0.000 1.908 327 A HA -0.177 4.144 4.320 0.001 0.000 0.218 327 A C 1.856 179.034 177.584 -0.678 0.000 1.181 327 A CA 1.539 53.089 52.037 -0.811 0.000 0.627 327 A CB -1.832 16.558 19.000 -1.016 0.000 0.818 327 A HN 0.204 nan 8.150 nan 0.000 0.445 328 F N -0.347 119.461 119.950 -0.236 0.000 2.811 328 F HA 0.105 4.633 4.527 0.002 0.000 0.301 328 F C 2.015 177.698 175.800 -0.194 0.000 1.151 328 F CA 0.655 58.579 58.000 -0.126 0.000 1.412 328 F CB -0.092 38.862 39.000 -0.077 0.000 1.113 328 F HN 0.359 nan 8.300 nan 0.000 0.579 329 E N 1.150 121.213 120.200 -0.228 0.000 2.077 329 E HA -0.147 4.204 4.350 0.001 0.000 0.193 329 E C 2.391 178.928 176.600 -0.104 0.000 0.989 329 E CA 1.183 57.495 56.400 -0.148 0.000 0.800 329 E CB -0.351 29.233 29.700 -0.193 0.000 0.746 329 E HN 0.402 nan 8.360 nan 0.000 0.452 330 G N 1.208 109.886 108.800 -0.204 0.000 2.985 330 G HA2 -0.122 3.839 3.960 0.001 0.000 0.209 330 G HA3 -0.122 3.839 3.960 0.001 0.000 0.209 330 G C 0.397 175.128 174.900 -0.281 0.000 1.165 330 G CA -0.023 44.960 45.100 -0.196 0.000 0.776 330 G HN 0.409 nan 8.290 nan 0.000 0.541 331 E N 0.270 120.308 120.200 -0.271 0.000 2.422 331 E HA 0.307 4.658 4.350 0.001 0.000 0.260 331 E C -0.743 175.871 176.600 0.023 0.000 1.108 331 E CA -0.083 56.227 56.400 -0.150 0.000 0.943 331 E CB 0.527 30.323 29.700 0.160 0.000 0.961 331 E HN -0.033 nan 8.360 nan 0.000 0.443 332 S N 1.842 117.539 115.700 -0.006 0.000 2.542 332 S HA 0.496 4.967 4.470 0.001 0.000 0.293 332 S C -0.681 173.802 174.600 -0.195 0.000 1.089 332 S CA -0.782 57.297 58.200 -0.202 0.000 0.961 332 S CB 0.788 63.871 63.200 -0.194 0.000 1.062 332 S HN 0.476 nan 8.310 nan 0.000 0.483 333 I N 3.957 124.286 120.570 -0.402 0.000 2.390 333 I HA 0.386 4.557 4.170 0.001 0.000 0.283 333 I C 0.379 176.335 176.117 -0.268 0.000 1.016 333 I CA -0.587 60.566 61.300 -0.246 0.000 1.151 333 I CB 1.060 38.958 38.000 -0.170 0.000 1.293 333 I HN 0.403 nan 8.210 nan 0.000 0.458 334 R N 4.626 125.034 120.500 -0.152 0.000 2.694 334 R HA 0.125 4.466 4.340 0.001 0.000 0.268 334 R C 1.001 177.261 176.300 -0.068 0.000 1.061 334 R CA -0.699 55.336 56.100 -0.108 0.000 1.133 334 R CB 0.714 30.979 30.300 -0.058 0.000 1.020 334 R HN 0.418 nan 8.270 nan 0.000 0.475 335 K N 1.470 121.846 120.400 -0.040 0.000 2.089 335 K HA -0.179 4.142 4.320 0.001 0.000 0.210 335 K C 1.889 178.489 176.600 0.001 0.000 1.048 335 K CA 2.041 58.326 56.287 -0.003 0.000 0.926 335 K CB -0.929 31.580 32.500 0.015 0.000 0.714 335 K HN 0.869 nan 8.250 nan 0.000 0.448 336 G N 1.347 110.144 108.800 -0.004 0.000 2.534 336 G HA2 -0.156 3.805 3.960 0.001 0.000 0.217 336 G HA3 -0.156 3.805 3.960 0.001 0.000 0.217 336 G C 0.928 175.832 174.900 0.006 0.000 1.128 336 G CA 0.397 45.498 45.100 0.001 0.000 0.784 336 G HN 0.295 nan 8.290 nan 0.000 0.542 337 D N -0.238 120.164 120.400 0.004 0.000 2.366 337 D HA 0.045 4.686 4.640 0.001 0.000 0.205 337 D C 1.432 177.757 176.300 0.042 0.000 1.022 337 D CA -0.190 53.820 54.000 0.016 0.000 0.868 337 D CB 0.220 41.019 40.800 -0.001 0.000 0.953 337 D HN 0.355 nan 8.370 nan 0.000 0.514 338 M N 0.953 120.574 119.600 0.036 0.000 2.268 338 M HA -0.029 4.452 4.480 0.001 0.000 0.349 338 M C 0.457 176.825 176.300 0.112 0.000 1.485 338 M CA -0.078 55.267 55.300 0.076 0.000 1.094 338 M CB 0.908 33.543 32.600 0.059 0.000 1.843 338 M HN -0.096 nan 8.290 nan 0.000 0.460 339 Y N 5.233 125.565 120.300 0.052 0.000 2.314 339 Y HA 0.280 4.830 4.550 0.002 0.000 0.294 339 Y C 0.185 176.145 175.900 0.100 0.000 1.119 339 Y CA 1.171 59.308 58.100 0.062 0.000 1.179 339 Y CB 0.675 39.165 38.460 0.050 0.000 1.025 339 Y HN 0.575 nan 8.280 nan 0.000 0.541 340 V N 0.204 120.306 119.914 0.314 0.000 3.120 340 V HA 0.391 4.512 4.120 0.001 0.000 0.303 340 V C -1.793 174.484 176.094 0.305 0.000 1.238 340 V CA -0.736 61.742 62.300 0.296 0.000 1.008 340 V CB 2.172 34.252 31.823 0.428 0.000 1.064 340 V HN 0.128 nan 8.190 nan 0.000 0.434 341 E N 3.960 124.331 120.200 0.285 0.000 2.272 341 E HA 0.748 5.098 4.350 0.001 0.000 0.269 341 E C -1.698 175.086 176.600 0.306 0.000 0.877 341 E CA -0.843 55.756 56.400 0.331 0.000 0.755 341 E CB 1.997 31.886 29.700 0.315 0.000 1.192 341 E HN 0.685 nan 8.360 nan 0.000 0.422 342 M N 2.024 121.831 119.600 0.344 0.000 2.518 342 M HA 0.630 5.111 4.480 0.001 0.000 0.300 342 M C 0.179 176.631 176.300 0.253 0.000 1.175 342 M CA -0.045 55.397 55.300 0.238 0.000 0.890 342 M CB 1.686 34.389 32.600 0.172 0.000 1.710 342 M HN 0.735 nan 8.290 nan 0.000 0.453 343 G N 0.779 109.646 108.800 0.111 0.000 2.553 343 G HA2 0.264 4.225 3.960 0.001 0.000 0.242 343 G HA3 0.264 4.225 3.960 0.001 0.000 0.242 343 G C 0.567 175.355 174.900 -0.187 0.000 1.277 343 G CA 0.021 45.143 45.100 0.036 0.000 0.910 343 G HN 1.990 nan 8.290 nan 0.000 0.576 344 G N -0.740 107.854 108.800 -0.342 0.000 2.212 344 G HA2 -0.128 3.833 3.960 0.001 0.000 0.267 344 G HA3 -0.128 3.833 3.960 0.001 0.000 0.267 344 G C 0.732 175.275 174.900 -0.595 0.000 1.002 344 G CA 1.551 46.113 45.100 -0.896 0.000 0.729 344 G HN 2.366 nan 8.290 nan 0.000 0.517 345 N N -3.062 115.461 118.700 -0.295 0.000 2.909 345 N HA -0.257 4.484 4.740 0.001 0.000 0.242 345 N C 1.572 176.986 175.510 -0.160 0.000 0.975 345 N CA 1.337 54.274 53.050 -0.188 0.000 0.921 345 N CB -0.643 37.738 38.487 -0.176 0.000 1.112 345 N HN 0.546 nan 8.380 nan 0.000 0.581 346 R N 0.344 120.733 120.500 -0.185 0.000 2.073 346 R HA 0.084 4.425 4.340 0.001 0.000 0.229 346 R C 0.984 177.265 176.300 -0.031 0.000 1.120 346 R CA 1.894 57.942 56.100 -0.087 0.000 0.967 346 R CB 0.023 30.295 30.300 -0.047 0.000 0.862 346 R HN 0.541 nan 8.270 nan 0.000 0.436 347 T N -3.209 111.332 114.554 -0.022 0.000 2.864 347 T HA 0.536 4.887 4.350 0.001 0.000 0.299 347 T C -2.944 171.764 174.700 0.014 0.000 1.166 347 T CA -2.425 59.682 62.100 0.013 0.000 1.007 347 T CB 2.465 71.360 68.868 0.046 0.000 1.219 347 T HN -0.293 nan 8.240 nan 0.000 0.506 348 P HA 0.576 nan 4.420 nan 0.000 0.271 348 P C -1.163 176.182 177.300 0.075 0.000 1.216 348 P CA -0.185 62.950 63.100 0.059 0.000 0.776 348 P CB 0.590 32.333 31.700 0.073 0.000 0.881 349 A N 2.804 125.683 122.820 0.099 0.000 2.589 349 A HA 0.791 5.111 4.320 0.001 0.000 0.296 349 A C -1.455 176.234 177.584 0.175 0.000 1.062 349 A CA -0.487 51.591 52.037 0.069 0.000 0.686 349 A CB 0.928 19.944 19.000 0.027 0.000 1.282 349 A HN 0.493 nan 8.150 nan 0.000 0.404 350 F N -0.171 119.837 119.950 0.096 0.000 2.662 350 F HA 0.861 5.389 4.527 0.001 0.000 0.312 350 F C -0.751 175.135 175.800 0.144 0.000 1.113 350 F CA -0.721 57.363 58.000 0.140 0.000 0.951 350 F CB 1.352 40.460 39.000 0.179 0.000 1.344 350 F HN 0.789 nan 8.300 nan 0.000 0.462 351 E N 1.939 122.411 120.200 0.453 0.000 2.343 351 E HA 0.752 5.103 4.350 0.001 0.000 0.270 351 E C -2.247 174.672 176.600 0.530 0.000 0.895 351 E CA -1.251 55.346 56.400 0.328 0.000 0.767 351 E CB 2.920 32.733 29.700 0.189 0.000 1.248 351 E HN 0.871 nan 8.360 nan 0.000 0.440 352 L N 1.652 123.124 121.223 0.416 0.000 2.676 352 L HA 0.296 4.637 4.340 0.001 0.000 0.262 352 L C -1.977 175.038 176.870 0.241 0.000 0.932 352 L CA -0.478 54.582 54.840 0.366 0.000 0.932 352 L CB 2.081 44.366 42.059 0.376 0.000 1.355 352 L HN 0.567 nan 8.230 nan 0.000 0.421 353 V N 5.238 125.260 119.914 0.179 0.000 2.439 353 V HA 0.715 4.835 4.120 0.001 0.000 0.282 353 V C -0.231 175.928 176.094 0.109 0.000 1.039 353 V CA -0.386 61.989 62.300 0.126 0.000 0.913 353 V CB 1.591 33.462 31.823 0.080 0.000 0.983 353 V HN 0.831 nan 8.190 nan 0.000 0.460 354 R N 1.988 122.548 120.500 0.101 0.000 2.673 354 R HA 0.672 5.013 4.340 0.001 0.000 0.281 354 R C -0.765 175.582 176.300 0.078 0.000 0.991 354 R CA -0.693 55.456 56.100 0.081 0.000 0.896 354 R CB 1.033 31.384 30.300 0.085 0.000 1.201 354 R HN 0.492 nan 8.270 nan 0.000 0.457 355 T N 1.945 116.537 114.554 0.063 0.000 2.851 355 T HA 0.376 4.727 4.350 0.001 0.000 0.298 355 T C 0.316 175.066 174.700 0.083 0.000 0.977 355 T CA -0.580 61.562 62.100 0.069 0.000 1.126 355 T CB 0.907 69.801 68.868 0.043 0.000 0.916 355 T HN 0.510 nan 8.240 nan 0.000 0.529 356 V N 0.342 120.326 119.914 0.117 0.000 3.074 356 V HA 0.881 5.002 4.120 0.001 0.000 0.314 356 V C 0.119 176.313 176.094 0.167 0.000 1.117 356 V CA -1.263 61.107 62.300 0.117 0.000 1.014 356 V CB 1.913 33.799 31.823 0.104 0.000 1.057 356 V HN 0.930 nan 8.190 nan 0.000 0.438 357 S N 0.294 116.065 115.700 0.118 0.000 2.603 357 S HA 0.244 4.715 4.470 0.001 0.000 0.268 357 S C 0.965 175.587 174.600 0.036 0.000 1.317 357 S CA 0.544 58.816 58.200 0.120 0.000 1.012 357 S CB 1.018 64.255 63.200 0.062 0.000 0.926 357 S HN 1.130 nan 8.310 nan 0.000 0.539 358 E N 1.298 121.461 120.200 -0.061 0.000 2.130 358 E HA -0.246 4.105 4.350 0.001 0.000 0.196 358 E C 1.902 178.356 176.600 -0.244 0.000 0.998 358 E CA 1.714 57.836 56.400 -0.463 0.000 0.806 358 E CB -0.380 29.047 29.700 -0.455 0.000 0.738 358 E HN 0.856 nan 8.360 nan 0.000 0.459 359 S N -0.271 115.366 115.700 -0.106 0.000 2.423 359 S HA -0.120 4.351 4.470 0.001 0.000 0.231 359 S C 1.495 176.069 174.600 -0.044 0.000 1.014 359 S CA 1.093 59.255 58.200 -0.064 0.000 0.965 359 S CB -0.075 63.108 63.200 -0.028 0.000 0.785 359 S HN 0.317 nan 8.310 nan 0.000 0.495 360 E N 0.202 120.386 120.200 -0.028 0.000 2.465 360 E HA 0.421 4.772 4.350 0.001 0.000 0.191 360 E C -0.212 176.391 176.600 0.004 0.000 1.053 360 E CA -0.133 56.270 56.400 0.005 0.000 0.869 360 E CB 0.336 30.056 29.700 0.034 0.000 0.977 360 E HN 0.578 nan 8.360 nan 0.000 0.483 361 I N 0.297 120.846 120.570 -0.036 0.000 2.545 361 I HA 0.214 4.385 4.170 0.001 0.000 0.292 361 I C -1.064 175.026 176.117 -0.045 0.000 1.040 361 I CA -0.491 60.793 61.300 -0.026 0.000 1.068 361 I CB 2.100 40.094 38.000 -0.010 0.000 1.251 361 I HN -0.228 nan 8.210 nan 0.000 0.424 362 T N 4.576 119.120 114.554 -0.018 0.000 2.842 362 T HA 0.199 4.550 4.350 0.001 0.000 0.308 362 T C -0.627 174.070 174.700 -0.006 0.000 1.041 362 T CA -0.389 61.699 62.100 -0.020 0.000 0.964 362 T CB 0.682 69.542 68.868 -0.014 0.000 0.972 362 T HN 0.511 nan 8.240 nan 0.000 0.460 363 D N 2.092 122.489 120.400 -0.005 0.000 2.455 363 D HA 0.353 4.994 4.640 0.001 0.000 0.241 363 D C 1.495 177.799 176.300 0.006 0.000 1.138 363 D CA 1.670 55.678 54.000 0.014 0.000 0.877 363 D CB 0.251 41.064 40.800 0.022 0.000 1.187 363 D HN 0.797 nan 8.370 nan 0.000 0.451 364 G N 3.293 112.099 108.800 0.010 0.000 2.184 364 G HA2 -0.338 3.622 3.960 0.001 0.000 0.264 364 G HA3 -0.338 3.622 3.960 0.001 0.000 0.264 364 G C 0.485 175.381 174.900 -0.007 0.000 0.975 364 G CA 0.567 45.667 45.100 -0.001 0.000 0.642 364 G HN 0.700 nan 8.290 nan 0.000 0.536 365 K N 0.640 121.036 120.400 -0.006 0.000 2.383 365 K HA 0.529 4.850 4.320 0.001 0.000 0.286 365 K C -0.092 176.497 176.600 -0.019 0.000 1.051 365 K CA -0.288 55.991 56.287 -0.013 0.000 0.974 365 K CB 0.028 32.520 32.500 -0.012 0.000 0.968 365 K HN 0.282 nan 8.250 nan 0.000 0.475 366 I N 3.525 124.079 120.570 -0.026 0.000 2.465 366 I HA 0.258 4.429 4.170 0.001 0.000 0.291 366 I C -0.649 175.438 176.117 -0.051 0.000 1.014 366 I CA -0.554 60.725 61.300 -0.035 0.000 1.093 366 I CB 2.007 39.995 38.000 -0.020 0.000 1.267 366 I HN 0.638 nan 8.210 nan 0.000 0.431 367 E N 5.274 125.423 120.200 -0.085 0.000 2.260 367 E HA 0.520 4.871 4.350 0.001 0.000 0.266 367 E C -1.737 174.774 176.600 -0.148 0.000 0.887 367 E CA -0.626 55.711 56.400 -0.104 0.000 0.777 367 E CB 2.001 31.633 29.700 -0.114 0.000 1.205 367 E HN 0.350 nan 8.360 nan 0.000 0.414 368 V N 6.333 126.195 119.914 -0.087 0.000 2.350 368 V HA 0.360 4.480 4.120 0.001 0.000 0.276 368 V C 0.055 176.110 176.094 -0.065 0.000 1.028 368 V CA -0.437 61.822 62.300 -0.068 0.000 0.860 368 V CB 0.985 32.839 31.823 0.050 0.000 0.990 368 V HN 0.664 nan 8.190 nan 0.000 0.453 369 I N 5.412 125.912 120.570 -0.117 0.000 2.412 369 I HA 0.738 4.909 4.170 0.001 0.000 0.279 369 I C 0.761 176.905 176.117 0.045 0.000 1.063 369 I CA 0.274 61.552 61.300 -0.036 0.000 1.193 369 I CB 0.774 38.738 38.000 -0.059 0.000 1.370 369 I HN 0.891 nan 8.210 nan 0.000 0.479 370 G N 6.571 115.412 108.800 0.068 0.000 2.325 370 G HA2 0.021 3.981 3.960 0.001 0.000 0.285 370 G HA3 0.021 3.981 3.960 0.001 0.000 0.285 370 G C -3.233 171.740 174.900 0.122 0.000 1.303 370 G CA -1.009 44.150 45.100 0.099 0.000 0.970 370 G HN 0.207 nan 8.290 nan 0.000 0.490 371 P HA 0.267 nan 4.420 nan 0.000 0.271 371 P C -0.477 176.984 177.300 0.268 0.000 1.226 371 P CA 0.160 63.360 63.100 0.166 0.000 0.765 371 P CB 1.017 32.812 31.700 0.159 0.000 0.835 372 D N 1.752 122.260 120.400 0.181 0.000 2.398 372 D HA 0.098 4.739 4.640 0.001 0.000 0.264 372 D C 1.311 177.553 176.300 -0.097 0.000 1.263 372 D CA -0.500 53.570 54.000 0.117 0.000 1.037 372 D CB 0.824 41.609 40.800 -0.025 0.000 1.101 372 D HN 0.193 nan 8.370 nan 0.000 0.551 373 I N 0.020 120.289 120.570 -0.501 0.000 2.353 373 I HA -0.206 3.965 4.170 0.001 0.000 0.248 373 I C 0.663 176.707 176.117 -0.121 0.000 1.119 373 I CA 0.917 61.927 61.300 -0.482 0.000 1.417 373 I CB 0.037 37.554 38.000 -0.806 0.000 1.078 373 I HN 0.300 nan 8.210 nan 0.000 0.421 374 D N -0.008 120.308 120.400 -0.141 0.000 2.676 374 D HA -0.043 4.598 4.640 0.001 0.000 0.239 374 D C 0.770 177.078 176.300 0.012 0.000 1.213 374 D CA 0.218 54.192 54.000 -0.043 0.000 0.835 374 D CB 0.062 40.808 40.800 -0.089 0.000 1.009 374 D HN 0.424 nan 8.370 nan 0.000 0.479 375 Q N -0.216 119.612 119.800 0.047 0.000 2.036 375 Q HA 0.277 4.617 4.340 0.001 0.000 0.208 375 Q C 0.166 176.217 176.000 0.085 0.000 0.770 375 Q CA -0.178 55.660 55.803 0.058 0.000 0.992 375 Q CB 1.366 30.136 28.738 0.054 0.000 1.209 375 Q HN 0.529 nan 8.270 nan 0.000 0.445 376 I N -2.398 118.241 120.570 0.115 0.000 2.846 376 I HA 0.745 4.916 4.170 0.001 0.000 0.307 376 I C -2.497 173.664 176.117 0.073 0.000 1.053 376 I CA -2.667 58.698 61.300 0.109 0.000 1.050 376 I CB 1.581 39.673 38.000 0.153 0.000 1.239 376 I HN -0.217 nan 8.210 nan 0.000 0.439 377 P HA 0.140 nan 4.420 nan 0.000 0.274 377 P C -0.684 176.460 177.300 -0.259 0.000 1.237 377 P CA -0.144 62.916 63.100 -0.066 0.000 0.793 377 P CB 0.743 32.416 31.700 -0.045 0.000 0.977 378 E N 0.133 120.103 120.200 -0.383 0.000 2.414 378 E HA 0.234 4.585 4.350 0.001 0.000 0.263 378 E C 0.962 177.318 176.600 -0.406 0.000 1.000 378 E CA 0.767 56.735 56.400 -0.720 0.000 0.914 378 E CB -0.439 29.024 29.700 -0.394 0.000 0.948 378 E HN 0.785 nan 8.360 nan 0.000 0.444 379 G N 3.083 111.639 108.800 -0.406 0.000 2.147 379 G HA2 -0.290 3.671 3.960 0.001 0.000 0.244 379 G HA3 -0.290 3.671 3.960 0.001 0.000 0.244 379 G C 0.108 174.967 174.900 -0.068 0.000 1.005 379 G CA 0.445 45.455 45.100 -0.151 0.000 0.713 379 G HN 0.689 nan 8.290 nan 0.000 0.515 380 S N -1.106 114.555 115.700 -0.066 0.000 2.707 380 S HA 0.809 5.280 4.470 0.001 0.000 0.276 380 S C 0.055 174.703 174.600 0.081 0.000 1.179 380 S CA -0.469 57.738 58.200 0.012 0.000 0.992 380 S CB 1.808 65.018 63.200 0.016 0.000 1.030 380 S HN 0.511 nan 8.310 nan 0.000 0.554 381 K N -0.131 120.323 120.400 0.091 0.000 2.203 381 K HA 0.736 5.057 4.320 0.001 0.000 0.251 381 K C -1.561 175.117 176.600 0.129 0.000 0.944 381 K CA -0.829 55.530 56.287 0.120 0.000 0.829 381 K CB 1.142 33.696 32.500 0.090 0.000 1.125 381 K HN 0.315 nan 8.250 nan 0.000 0.430 382 L N 2.491 123.804 121.223 0.151 0.000 2.422 382 L HA 0.477 4.818 4.340 0.001 0.000 0.264 382 L C -2.658 174.274 176.870 0.103 0.000 0.984 382 L CA -2.155 52.771 54.840 0.143 0.000 0.819 382 L CB 2.054 44.237 42.059 0.205 0.000 1.330 382 L HN 0.500 nan 8.230 nan 0.000 0.410 383 P HA 0.350 nan 4.420 nan 0.000 0.274 383 P C -1.433 175.880 177.300 0.022 0.000 1.237 383 P CA -0.415 62.719 63.100 0.057 0.000 0.793 383 P CB 1.553 33.291 31.700 0.064 0.000 0.977 384 L N 0.974 122.184 121.223 -0.022 0.000 2.493 384 L HA 0.709 5.050 4.340 0.001 0.000 0.265 384 L C -0.679 176.013 176.870 -0.296 0.000 0.954 384 L CA -0.115 54.652 54.840 -0.122 0.000 0.844 384 L CB 2.030 44.014 42.059 -0.126 0.000 1.302 384 L HN 0.563 nan 8.230 nan 0.000 0.405 385 G N 5.608 114.185 108.800 -0.372 0.000 2.626 385 G HA2 0.612 4.572 3.960 0.001 0.000 0.304 385 G HA3 0.612 4.572 3.960 0.001 0.000 0.304 385 G C -1.133 173.493 174.900 -0.456 0.000 1.385 385 G CA -0.382 44.147 45.100 -0.951 0.000 0.957 385 G HN 0.512 nan 8.290 nan 0.000 0.504 386 I N 2.843 123.119 120.570 -0.489 0.000 2.330 386 I HA 0.318 4.489 4.170 0.001 0.000 0.289 386 I C -0.849 175.295 176.117 0.044 0.000 1.001 386 I CA -0.749 60.441 61.300 -0.182 0.000 1.193 386 I CB 1.775 39.683 38.000 -0.152 0.000 1.345 386 I HN 0.196 nan 8.210 nan 0.000 0.461 387 L N 8.530 129.810 121.223 0.095 0.000 2.319 387 L HA 0.536 4.877 4.340 0.001 0.000 0.281 387 L C -0.743 176.197 176.870 0.118 0.000 1.005 387 L CA -0.373 54.604 54.840 0.228 0.000 0.828 387 L CB 1.635 43.907 42.059 0.354 0.000 1.227 387 L HN 0.305 nan 8.230 nan 0.000 0.415 388 V N 4.384 124.381 119.914 0.138 0.000 2.357 388 V HA 0.465 4.586 4.120 0.001 0.000 0.284 388 V C -0.758 175.404 176.094 0.112 0.000 1.018 388 V CA -0.703 61.660 62.300 0.106 0.000 0.841 388 V CB 1.376 33.263 31.823 0.107 0.000 0.991 388 V HN 0.621 nan 8.190 nan 0.000 0.437 389 D N 5.094 125.554 120.400 0.100 0.000 2.233 389 D HA 0.520 5.160 4.640 0.001 0.000 0.240 389 D C -0.526 175.837 176.300 0.105 0.000 1.074 389 D CA -0.178 53.885 54.000 0.105 0.000 0.838 389 D CB 2.236 43.096 40.800 0.100 0.000 1.124 389 D HN 0.193 nan 8.370 nan 0.000 0.475 390 I N 2.538 123.175 120.570 0.112 0.000 2.465 390 I HA 0.278 4.448 4.170 0.001 0.000 0.291 390 I C -0.751 175.467 176.117 0.168 0.000 1.014 390 I CA -0.849 60.522 61.300 0.118 0.000 1.093 390 I CB 1.510 39.554 38.000 0.073 0.000 1.267 390 I HN 0.329 nan 8.210 nan 0.000 0.431 391 Y N 4.712 125.038 120.300 0.043 0.000 2.391 391 Y HA 0.779 5.330 4.550 0.002 0.000 0.341 391 Y C -0.344 175.584 175.900 0.046 0.000 0.965 391 Y CA -0.406 57.718 58.100 0.041 0.000 1.067 391 Y CB 2.033 40.514 38.460 0.034 0.000 1.199 391 Y HN 0.663 nan 8.280 nan 0.000 0.450 392 G N 4.805 113.217 108.800 -0.646 0.000 2.703 392 G HA2 0.256 4.217 3.960 0.001 0.000 0.294 392 G HA3 0.256 4.217 3.960 0.001 0.000 0.294 392 G C -0.587 174.033 174.900 -0.467 0.000 1.451 392 G CA -1.058 43.738 45.100 -0.507 0.000 0.869 392 G HN 0.719 nan 8.290 nan 0.000 0.516 393 R N -0.175 120.148 120.500 -0.296 0.000 2.139 393 R HA -0.095 4.246 4.340 0.001 0.000 0.243 393 R C 1.646 177.898 176.300 -0.080 0.000 1.145 393 R CA 1.503 57.508 56.100 -0.158 0.000 0.976 393 R CB 0.020 30.279 30.300 -0.069 0.000 0.866 393 R HN 0.396 nan 8.270 nan 0.000 0.449 394 K N -0.582 119.798 120.400 -0.034 0.000 2.372 394 K HA 0.124 4.444 4.320 0.001 0.000 0.200 394 K C -0.016 176.666 176.600 0.137 0.000 1.022 394 K CA -0.377 55.949 56.287 0.065 0.000 1.125 394 K CB 0.457 33.021 32.500 0.106 0.000 0.855 394 K HN -0.043 nan 8.250 nan 0.000 0.524 395 M N 2.322 121.948 119.600 0.045 0.000 2.243 395 M HA 0.009 4.490 4.480 0.001 0.000 0.341 395 M C -0.599 175.692 176.300 -0.014 0.000 1.130 395 M CA 0.655 56.003 55.300 0.081 0.000 1.162 395 M CB 0.376 32.972 32.600 -0.006 0.000 1.497 395 M HN 0.143 nan 8.290 nan 0.000 0.456 396 Q N 3.353 123.097 119.800 -0.093 0.000 2.435 396 Q HA 0.700 5.041 4.340 0.001 0.000 0.282 396 Q C -0.089 175.798 176.000 -0.187 0.000 1.020 396 Q CA -0.537 55.130 55.803 -0.226 0.000 0.820 396 Q CB 0.775 29.262 28.738 -0.420 0.000 1.436 396 Q HN 0.704 nan 8.270 nan 0.000 0.395 397 A N 1.228 123.974 122.820 -0.123 0.000 1.971 397 A HA -0.294 4.027 4.320 0.001 0.000 0.222 397 A C 1.351 178.900 177.584 -0.057 0.000 1.182 397 A CA 2.422 54.422 52.037 -0.061 0.000 0.649 397 A CB -0.786 18.188 19.000 -0.042 0.000 0.818 397 A HN 0.836 nan 8.150 nan 0.000 0.458 398 D N -1.236 119.077 120.400 -0.145 0.000 2.264 398 D HA -0.045 4.596 4.640 0.001 0.000 0.208 398 D C 1.340 177.693 176.300 0.089 0.000 0.966 398 D CA 0.763 54.719 54.000 -0.074 0.000 0.864 398 D CB -0.317 40.411 40.800 -0.120 0.000 0.933 398 D HN 0.681 nan 8.370 nan 0.000 0.499 399 F N 0.410 120.349 119.950 -0.019 0.000 2.797 399 F HA 0.105 4.633 4.527 0.001 0.000 0.302 399 F C 2.100 177.837 175.800 -0.106 0.000 1.130 399 F CA -0.233 57.721 58.000 -0.078 0.000 1.387 399 F CB 0.280 39.214 39.000 -0.110 0.000 1.107 399 F HN -0.097 nan 8.300 nan 0.000 0.577 400 E N 0.777 121.043 120.200 0.110 0.000 2.051 400 E HA -0.154 4.197 4.350 0.001 0.000 0.192 400 E C 2.561 179.191 176.600 0.050 0.000 0.991 400 E CA 1.102 57.538 56.400 0.059 0.000 0.799 400 E CB -0.370 29.367 29.700 0.062 0.000 0.748 400 E HN 0.434 nan 8.360 nan 0.000 0.449 401 G N 0.801 109.645 108.800 0.074 0.000 2.418 401 G HA2 -0.236 3.725 3.960 0.001 0.000 0.217 401 G HA3 -0.236 3.725 3.960 0.001 0.000 0.217 401 G C 1.739 176.658 174.900 0.032 0.000 1.158 401 G CA 0.804 45.943 45.100 0.066 0.000 0.771 401 G HN 0.114 nan 8.290 nan 0.000 0.545 402 V N 0.768 120.701 119.914 0.031 0.000 2.252 402 V HA -0.198 3.922 4.120 0.001 0.000 0.249 402 V C 2.885 178.901 176.094 -0.131 0.000 1.056 402 V CA 1.713 63.998 62.300 -0.026 0.000 1.022 402 V CB -0.510 31.289 31.823 -0.041 0.000 0.641 402 V HN 0.256 nan 8.190 nan 0.000 0.445 403 L N -0.442 120.622 121.223 -0.265 0.000 2.044 403 L HA -0.109 4.232 4.340 0.001 0.000 0.205 403 L C 2.456 179.273 176.870 -0.088 0.000 1.075 403 L CA 1.826 56.477 54.840 -0.314 0.000 0.747 403 L CB -0.952 40.885 42.059 -0.370 0.000 0.903 403 L HN 0.366 nan 8.230 nan 0.000 0.435 404 E N -0.296 119.884 120.200 -0.034 0.000 2.085 404 E HA -0.287 4.064 4.350 0.001 0.000 0.194 404 E C 2.400 178.980 176.600 -0.034 0.000 0.994 404 E CA 1.058 57.463 56.400 0.009 0.000 0.801 404 E CB -0.006 29.733 29.700 0.064 0.000 0.743 404 E HN 0.261 nan 8.360 nan 0.000 0.453 405 R N 0.073 120.548 120.500 -0.042 0.000 2.139 405 R HA -0.143 4.197 4.340 0.001 0.000 0.243 405 R C 1.997 178.217 176.300 -0.133 0.000 1.145 405 R CA 1.332 57.396 56.100 -0.060 0.000 0.976 405 R CB 0.071 30.354 30.300 -0.028 0.000 0.866 405 R HN 0.033 nan 8.270 nan 0.000 0.449 406 R N 0.105 120.465 120.500 -0.234 0.000 2.276 406 R HA 0.007 4.348 4.340 0.001 0.000 0.203 406 R C 2.054 177.872 176.300 -0.803 0.000 1.017 406 R CA 0.520 56.259 56.100 -0.602 0.000 1.010 406 R CB -0.322 29.503 30.300 -0.791 0.000 0.900 406 R HN 0.369 nan 8.270 nan 0.000 0.469 407 I N 0.254 120.603 120.570 -0.368 0.000 2.208 407 I HA -0.344 3.827 4.170 0.001 0.000 0.245 407 I C 2.659 178.558 176.117 -0.363 0.000 1.097 407 I CA 1.422 62.595 61.300 -0.213 0.000 1.363 407 I CB -0.491 37.441 38.000 -0.112 0.000 1.051 407 I HN 0.320 nan 8.210 nan 0.000 0.413 408 H N 1.461 120.171 119.070 -0.600 0.000 2.265 408 H HA -0.245 4.312 4.556 0.001 0.000 0.293 408 H C 1.655 176.777 175.328 -0.344 0.000 1.089 408 H CA 2.370 58.002 56.048 -0.692 0.000 1.244 408 H CB 0.011 29.569 29.762 -0.340 0.000 1.355 408 H HN 0.361 nan 8.280 nan 0.000 0.485 409 D N 0.101 120.260 120.400 -0.401 0.000 2.117 409 D HA -0.128 4.513 4.640 0.001 0.000 0.198 409 D C 2.251 178.449 176.300 -0.169 0.000 0.982 409 D CA 0.742 54.544 54.000 -0.330 0.000 0.828 409 D CB -0.472 40.138 40.800 -0.317 0.000 0.967 409 D HN 0.334 nan 8.370 nan 0.000 0.464 410 F N 1.274 121.119 119.950 -0.174 0.000 2.161 410 F HA -0.067 4.461 4.527 0.001 0.000 0.300 410 F C 2.495 178.369 175.800 0.123 0.000 1.089 410 F CA 0.103 58.078 58.000 -0.043 0.000 1.282 410 F CB -0.900 38.116 39.000 0.027 0.000 1.010 410 F HN -0.041 nan 8.300 nan 0.000 0.485 411 I N -0.450 120.253 120.570 0.221 0.000 2.277 411 I HA -0.242 3.929 4.170 0.001 0.000 0.243 411 I C 2.194 178.439 176.117 0.214 0.000 1.094 411 I CA 0.722 62.175 61.300 0.256 0.000 1.393 411 I CB -0.454 37.640 38.000 0.156 0.000 1.078 411 I HN 0.037 nan 8.210 nan 0.000 0.417 412 N N 0.733 119.476 118.700 0.071 0.000 2.132 412 N HA -0.247 4.494 4.740 0.001 0.000 0.191 412 N C 1.784 177.381 175.510 0.145 0.000 1.015 412 N CA 1.637 54.721 53.050 0.057 0.000 0.864 412 N CB -0.505 37.905 38.487 -0.129 0.000 1.006 412 N HN 0.467 nan 8.380 nan 0.000 0.430 413 Y N 0.894 121.098 120.300 -0.160 0.000 2.384 413 Y HA -0.074 4.477 4.550 0.001 0.000 0.289 413 Y C 1.735 177.439 175.900 -0.328 0.000 1.152 413 Y CA -0.093 57.746 58.100 -0.436 0.000 1.258 413 Y CB -0.296 37.490 38.460 -1.125 0.000 0.979 413 Y HN -0.004 nan 8.280 nan 0.000 0.549 414 G N 1.447 110.335 108.800 0.146 0.000 2.365 414 G HA2 -0.019 3.942 3.960 0.001 0.000 0.249 414 G HA3 -0.019 3.942 3.960 0.001 0.000 0.249 414 G C -0.591 174.293 174.900 -0.026 0.000 1.288 414 G CA -0.487 44.732 45.100 0.199 0.000 0.887 414 G HN 0.320 nan 8.290 nan 0.000 0.524 415 E N 1.604 121.611 120.200 -0.322 0.000 2.238 415 E HA 0.362 4.713 4.350 0.001 0.000 0.264 415 E C 1.319 177.758 176.600 -0.267 0.000 1.136 415 E CA 0.651 56.682 56.400 -0.615 0.000 0.929 415 E CB -0.372 28.538 29.700 -1.317 0.000 1.010 415 E HN 0.924 nan 8.360 nan 0.000 0.440 416 G N 4.084 112.820 108.800 -0.107 0.000 2.159 416 G HA2 -0.224 3.737 3.960 0.001 0.000 0.227 416 G HA3 -0.224 3.737 3.960 0.001 0.000 0.227 416 G C -0.058 174.796 174.900 -0.077 0.000 0.986 416 G CA 0.009 45.061 45.100 -0.080 0.000 0.651 416 G HN 0.484 nan 8.290 nan 0.000 0.523 417 L N -0.806 120.400 121.223 -0.028 0.000 2.329 417 L HA 0.816 5.157 4.340 0.001 0.000 0.279 417 L C -0.161 176.850 176.870 0.236 0.000 1.014 417 L CA -1.176 53.699 54.840 0.057 0.000 0.814 417 L CB 1.549 43.628 42.059 0.033 0.000 1.257 417 L HN 0.216 nan 8.230 nan 0.000 0.424 418 W N 3.801 125.141 121.300 0.066 0.000 3.032 418 W HA 0.542 5.203 4.660 0.001 0.000 0.335 418 W C -1.290 175.297 176.519 0.113 0.000 1.154 418 W CA -0.339 57.034 57.345 0.047 0.000 1.204 418 W CB 1.267 30.701 29.460 -0.042 0.000 1.416 418 W HN 0.482 nan 8.180 nan 0.000 0.521 419 H N 3.308 121.877 119.070 -0.835 0.000 3.029 419 H HA 0.481 5.038 4.556 0.002 0.000 0.358 419 H C -1.770 172.999 175.328 -0.931 0.000 1.129 419 H CA -0.040 55.584 56.048 -0.706 0.000 1.230 419 H CB 2.317 31.954 29.762 -0.209 0.000 1.827 419 H HN 0.477 nan 8.280 nan 0.000 0.530 420 T N 2.219 116.118 114.554 -1.091 0.000 2.816 420 T HA 0.621 4.972 4.350 0.001 0.000 0.299 420 T C -0.088 174.348 174.700 -0.441 0.000 1.230 420 T CA 0.856 62.628 62.100 -0.547 0.000 1.007 420 T CB 1.144 69.705 68.868 -0.513 0.000 1.289 420 T HN 1.214 nan 8.240 nan 0.000 0.508 421 G N 1.597 110.258 108.800 -0.232 0.000 2.584 421 G HA2 0.163 4.124 3.960 0.001 0.000 0.229 421 G HA3 0.163 4.124 3.960 0.001 0.000 0.229 421 G C -0.803 174.034 174.900 -0.104 0.000 1.320 421 G CA 0.631 45.649 45.100 -0.137 0.000 0.891 421 G HN 1.337 nan 8.290 nan 0.000 0.573 422 Q N -1.972 117.788 119.800 -0.067 0.000 2.702 422 Q HA 0.719 5.060 4.340 0.001 0.000 0.289 422 Q C 0.601 176.549 176.000 -0.086 0.000 0.923 422 Q CA -0.101 55.677 55.803 -0.042 0.000 0.787 422 Q CB 1.332 30.010 28.738 -0.099 0.000 1.476 422 Q HN 1.299 nan 8.270 nan 0.000 0.402 423 R N 0.499 120.934 120.500 -0.109 0.000 3.869 423 R HA -0.349 3.992 4.340 0.001 0.000 0.424 423 R C 0.225 176.545 176.300 0.033 0.000 0.241 423 R CA 2.484 58.413 56.100 -0.285 0.000 1.351 423 R CB -1.626 28.116 30.300 -0.929 0.000 0.979 423 R HN 1.059 nan 8.270 nan 0.000 0.572 424 N N 0.709 119.411 118.700 0.005 0.000 2.238 424 N HA 0.224 4.965 4.740 0.001 0.000 0.222 424 N C 0.183 175.736 175.510 0.071 0.000 1.133 424 N CA -0.030 53.131 53.050 0.185 0.000 0.854 424 N CB 0.371 39.051 38.487 0.323 0.000 1.041 424 N HN 0.317 nan 8.380 nan 0.000 0.510 425 I N -0.223 120.346 120.570 -0.002 0.000 3.637 425 I HA 0.152 4.323 4.170 0.001 0.000 0.342 425 I C 0.130 176.244 176.117 -0.006 0.000 1.545 425 I CA -0.539 60.754 61.300 -0.012 0.000 1.126 425 I CB -0.424 37.553 38.000 -0.039 0.000 1.375 425 I HN 0.193 nan 8.210 nan 0.000 0.467 426 N N 1.431 120.137 118.700 0.010 0.000 2.441 426 N HA 0.055 4.796 4.740 0.001 0.000 0.251 426 N C -1.314 174.229 175.510 0.056 0.000 1.242 426 N CA 0.034 53.070 53.050 -0.024 0.000 0.898 426 N CB 0.707 39.211 38.487 0.028 0.000 1.100 426 N HN 0.263 nan 8.380 nan 0.000 0.443 427 W N 4.605 125.727 121.300 -0.297 0.000 3.544 427 W HA 0.458 5.119 4.660 0.002 0.000 0.326 427 W C -2.295 174.107 176.519 -0.194 0.000 1.137 427 W CA -0.651 56.609 57.345 -0.141 0.000 1.252 427 W CB 0.042 29.496 29.460 -0.009 0.000 1.302 427 W HN 0.237 nan 8.180 nan 0.000 0.467 428 L N 5.635 127.103 121.223 0.407 0.000 2.409 428 L HA 0.700 5.041 4.340 0.001 0.000 0.262 428 L C -0.143 177.022 176.870 0.491 0.000 0.992 428 L CA -0.789 54.226 54.840 0.292 0.000 0.817 428 L CB 2.436 44.628 42.059 0.221 0.000 1.350 428 L HN 0.337 nan 8.230 nan 0.000 0.411 429 R N 0.941 121.752 120.500 0.519 0.000 2.673 429 R HA 0.840 5.181 4.340 0.001 0.000 0.281 429 R C -1.713 174.775 176.300 0.313 0.000 0.991 429 R CA -0.882 55.449 56.100 0.384 0.000 0.896 429 R CB 2.708 33.141 30.300 0.221 0.000 1.201 429 R HN 0.299 nan 8.270 nan 0.000 0.457 430 V N 1.650 121.718 119.914 0.255 0.000 2.555 430 V HA 0.344 4.465 4.120 0.001 0.000 0.302 430 V C 0.142 176.304 176.094 0.114 0.000 1.038 430 V CA -0.776 61.597 62.300 0.121 0.000 0.887 430 V CB 1.908 33.814 31.823 0.139 0.000 0.991 430 V HN 0.943 nan 8.190 nan 0.000 0.434 431 S N 3.204 118.918 115.700 0.024 0.000 2.586 431 S HA 0.362 4.833 4.470 0.001 0.000 0.274 431 S C 0.827 175.469 174.600 0.070 0.000 1.281 431 S CA -0.592 57.637 58.200 0.048 0.000 1.035 431 S CB 1.212 64.411 63.200 -0.001 0.000 0.962 431 S HN 0.659 nan 8.310 nan 0.000 0.512 432 K N 1.212 121.695 120.400 0.139 0.000 2.089 432 K HA -0.202 4.119 4.320 0.001 0.000 0.210 432 K C 1.516 178.136 176.600 0.032 0.000 1.048 432 K CA 2.145 58.531 56.287 0.164 0.000 0.926 432 K CB -0.339 32.266 32.500 0.175 0.000 0.714 432 K HN 0.800 nan 8.250 nan 0.000 0.448 433 D N 0.026 120.428 120.400 0.004 0.000 2.144 433 D HA -0.073 4.568 4.640 0.001 0.000 0.200 433 D C 1.753 178.019 176.300 -0.057 0.000 0.978 433 D CA 1.129 55.113 54.000 -0.027 0.000 0.833 433 D CB 0.046 40.826 40.800 -0.032 0.000 0.961 433 D HN 0.215 nan 8.370 nan 0.000 0.470 434 A N -0.114 122.660 122.820 -0.077 0.000 1.883 434 A HA -0.139 4.182 4.320 0.001 0.000 0.217 434 A C 2.461 180.013 177.584 -0.053 0.000 1.186 434 A CA 1.685 53.663 52.037 -0.099 0.000 0.624 434 A CB -0.907 17.971 19.000 -0.204 0.000 0.822 434 A HN 0.201 nan 8.150 nan 0.000 0.444 435 V N -0.059 119.787 119.914 -0.114 0.000 2.287 435 V HA -0.276 3.845 4.120 0.001 0.000 0.248 435 V C 3.042 179.042 176.094 -0.156 0.000 1.053 435 V CA 2.012 64.181 62.300 -0.218 0.000 1.027 435 V CB -1.360 30.085 31.823 -0.629 0.000 0.646 435 V HN 0.619 nan 8.190 nan 0.000 0.447 436 A N -0.447 122.308 122.820 -0.108 0.000 2.024 436 A HA -0.249 4.072 4.320 0.001 0.000 0.220 436 A C 2.248 179.798 177.584 -0.057 0.000 1.164 436 A CA 2.006 54.003 52.037 -0.067 0.000 0.643 436 A CB -0.438 18.542 19.000 -0.034 0.000 0.806 436 A HN 0.569 nan 8.150 nan 0.000 0.451 437 K N -2.113 118.256 120.400 -0.052 0.000 2.296 437 K HA 0.183 4.503 4.320 0.001 0.000 0.200 437 K C 1.113 177.690 176.600 -0.038 0.000 1.048 437 K CA 0.672 56.934 56.287 -0.041 0.000 0.966 437 K CB 0.049 32.526 32.500 -0.040 0.000 0.754 437 K HN 0.638 nan 8.250 nan 0.000 0.466 438 G N 0.528 109.300 108.800 -0.047 0.000 2.273 438 G HA2 -0.212 3.749 3.960 0.001 0.000 0.162 438 G HA3 -0.212 3.749 3.960 0.001 0.000 0.162 438 G C -0.271 174.578 174.900 -0.085 0.000 1.006 438 G CA -0.658 44.401 45.100 -0.070 0.000 0.704 438 G HN 0.221 nan 8.290 nan 0.000 0.487 439 F N 2.548 122.390 119.950 -0.181 0.000 2.578 439 F HA 0.723 5.251 4.527 0.001 0.000 0.381 439 F C 0.580 176.212 175.800 -0.280 0.000 1.069 439 F CA -0.042 57.834 58.000 -0.208 0.000 1.231 439 F CB 0.524 39.400 39.000 -0.207 0.000 1.086 439 F HN 0.137 nan 8.300 nan 0.000 0.564 440 R N 4.336 124.035 120.500 -1.335 0.000 2.912 440 R HA 0.386 4.727 4.340 0.001 0.000 0.262 440 R C 0.422 175.949 176.300 -1.290 0.000 1.057 440 R CA -0.639 54.794 56.100 -1.113 0.000 0.981 440 R CB 0.781 30.751 30.300 -0.550 0.000 1.201 440 R HN 0.720 nan 8.270 nan 0.000 0.484 441 F N 0.701 120.270 119.950 -0.636 0.000 2.269 441 F HA -0.167 4.361 4.527 0.001 0.000 0.301 441 F C 2.210 177.880 175.800 -0.217 0.000 1.082 441 F CA 0.787 58.577 58.000 -0.350 0.000 1.360 441 F CB 0.167 39.135 39.000 -0.053 0.000 1.041 441 F HN 0.473 nan 8.300 nan 0.000 0.512 442 K N 1.353 121.706 120.400 -0.079 0.000 2.074 442 K HA -0.263 4.058 4.320 0.001 0.000 0.209 442 K C 1.401 177.973 176.600 -0.046 0.000 1.048 442 K CA 2.192 58.444 56.287 -0.058 0.000 0.926 442 K CB -0.359 32.081 32.500 -0.100 0.000 0.713 442 K HN 0.351 nan 8.250 nan 0.000 0.444 443 N N -0.714 117.881 118.700 -0.175 0.000 2.149 443 N HA -0.188 4.552 4.740 0.001 0.000 0.188 443 N C 1.576 177.195 175.510 0.181 0.000 1.019 443 N CA 1.325 54.352 53.050 -0.038 0.000 0.857 443 N CB -0.213 38.248 38.487 -0.044 0.000 0.997 443 N HN 0.164 nan 8.380 nan 0.000 0.426 444 Y N 1.129 121.582 120.300 0.254 0.000 2.102 444 Y HA -0.181 4.370 4.550 0.001 0.000 0.280 444 Y C 2.634 178.605 175.900 0.117 0.000 1.178 444 Y CA 1.304 59.553 58.100 0.247 0.000 1.146 444 Y CB -1.163 37.441 38.460 0.241 0.000 0.968 444 Y HN 0.091 nan 8.280 nan 0.000 0.504 445 G N -0.645 108.299 108.800 0.241 0.000 2.418 445 G HA2 -0.222 3.739 3.960 0.001 0.000 0.217 445 G HA3 -0.222 3.739 3.960 0.001 0.000 0.217 445 G C 1.518 176.455 174.900 0.061 0.000 1.158 445 G CA 0.994 46.160 45.100 0.110 0.000 0.771 445 G HN 0.465 nan 8.290 nan 0.000 0.545 446 E N 0.100 120.323 120.200 0.039 0.000 2.072 446 E HA -0.063 4.288 4.350 0.001 0.000 0.191 446 E C 2.471 179.038 176.600 -0.055 0.000 0.985 446 E CA 0.543 56.932 56.400 -0.018 0.000 0.801 446 E CB -0.143 29.533 29.700 -0.039 0.000 0.750 446 E HN 0.471 nan 8.360 nan 0.000 0.452 447 I N 0.794 121.349 120.570 -0.025 0.000 2.099 447 I HA -0.295 3.876 4.170 0.001 0.000 0.239 447 I C 2.216 178.281 176.117 -0.087 0.000 1.066 447 I CA 0.873 62.120 61.300 -0.087 0.000 1.324 447 I CB -0.171 37.879 38.000 0.083 0.000 1.037 447 I HN 0.116 nan 8.210 nan 0.000 0.401 448 L N -0.026 121.217 121.223 0.034 0.000 2.046 448 L HA -0.170 4.171 4.340 0.001 0.000 0.208 448 L C 2.444 179.309 176.870 -0.008 0.000 1.077 448 L CA 1.535 56.410 54.840 0.059 0.000 0.747 448 L CB -1.016 41.120 42.059 0.128 0.000 0.896 448 L HN 0.065 nan 8.230 nan 0.000 0.432 449 V N -0.253 119.652 119.914 -0.015 0.000 2.220 449 V HA -0.330 3.790 4.120 0.001 0.000 0.246 449 V C 2.710 178.760 176.094 -0.074 0.000 1.049 449 V CA 1.858 64.143 62.300 -0.024 0.000 1.003 449 V CB -1.180 30.632 31.823 -0.019 0.000 0.634 449 V HN 0.503 nan 8.190 nan 0.000 0.444 450 A N -0.555 122.191 122.820 -0.123 0.000 1.908 450 A HA -0.216 4.105 4.320 0.001 0.000 0.218 450 A C 2.256 179.693 177.584 -0.245 0.000 1.181 450 A CA 1.846 53.785 52.037 -0.163 0.000 0.627 450 A CB -0.426 18.461 19.000 -0.189 0.000 0.818 450 A HN 0.442 nan 8.150 nan 0.000 0.445 451 K N -0.897 119.254 120.400 -0.415 0.000 2.103 451 K HA 0.052 4.373 4.320 0.001 0.000 0.204 451 K C 2.009 178.249 176.600 -0.601 0.000 1.052 451 K CA 0.890 56.711 56.287 -0.776 0.000 0.945 451 K CB -0.429 31.118 32.500 -1.588 0.000 0.722 451 K HN 0.435 nan 8.250 nan 0.000 0.443 452 M N 0.999 120.447 119.600 -0.254 0.000 2.159 452 M HA -0.135 4.346 4.480 0.001 0.000 0.263 452 M C 1.856 178.261 176.300 0.175 0.000 1.063 452 M CA 1.577 56.985 55.300 0.180 0.000 1.110 452 M CB -0.584 32.136 32.600 0.200 0.000 1.374 452 M HN 0.078 nan 8.290 nan 0.000 0.411 453 K N -0.258 120.159 120.400 0.030 0.000 2.062 453 K HA -0.137 4.184 4.320 0.001 0.000 0.205 453 K C 1.977 178.571 176.600 -0.011 0.000 1.051 453 K CA 0.964 57.269 56.287 0.031 0.000 0.941 453 K CB -0.098 32.403 32.500 0.001 0.000 0.719 453 K HN 0.350 nan 8.250 nan 0.000 0.440 454 E N 1.044 121.194 120.200 -0.082 0.000 2.038 454 E HA -0.218 4.133 4.350 0.001 0.000 0.195 454 E C 1.634 178.158 176.600 -0.127 0.000 1.000 454 E CA 1.252 57.591 56.400 -0.103 0.000 0.803 454 E CB 0.253 29.870 29.700 -0.137 0.000 0.750 454 E HN 0.177 nan 8.360 nan 0.000 0.448 455 E N -0.595 119.490 120.200 -0.191 0.000 2.216 455 E HA -0.075 4.276 4.350 0.001 0.000 0.192 455 E C 0.383 176.600 176.600 -0.638 0.000 0.988 455 E CA 0.643 56.791 56.400 -0.420 0.000 0.834 455 E CB 0.127 29.530 29.700 -0.495 0.000 0.772 455 E HN 0.287 nan 8.360 nan 0.000 0.479 456 F N 1.419 121.372 119.950 0.004 0.000 2.739 456 F HA 0.272 4.800 4.527 0.002 0.000 0.345 456 F C -2.164 173.617 175.800 -0.032 0.000 1.373 456 F CA -2.302 55.682 58.000 -0.028 0.000 1.160 456 F CB 0.816 39.803 39.000 -0.021 0.000 1.137 456 F HN -0.202 nan 8.300 nan 0.000 0.524 457 P HA 0.169 nan 4.420 nan 0.000 0.272 457 P C 0.723 178.048 177.300 0.042 0.000 1.223 457 P CA 1.001 64.129 63.100 0.047 0.000 0.784 457 P CB 1.896 33.602 31.700 0.009 0.000 0.923 458 A N 2.311 125.150 122.820 0.031 0.000 2.617 458 A HA -0.291 4.029 4.320 0.001 0.000 0.236 458 A C 1.738 179.334 177.584 0.019 0.000 0.551 458 A CA 1.675 53.721 52.037 0.015 0.000 1.144 458 A CB -2.894 16.110 19.000 0.007 0.000 1.384 458 A HN 0.501 nan 8.150 nan 0.000 0.694 459 I N -0.406 120.195 120.570 0.051 0.000 2.252 459 I HA -0.083 4.088 4.170 0.001 0.000 0.245 459 I C 0.444 176.583 176.117 0.038 0.000 1.102 459 I CA 1.623 62.960 61.300 0.062 0.000 1.385 459 I CB -0.084 37.945 38.000 0.048 0.000 1.064 459 I HN 0.267 nan 8.210 nan 0.000 0.414 460 V N 1.663 121.619 119.914 0.070 0.000 2.350 460 V HA 0.170 4.291 4.120 0.001 0.000 0.285 460 V C -0.176 175.956 176.094 0.063 0.000 1.014 460 V CA -0.311 62.031 62.300 0.071 0.000 0.831 460 V CB 1.451 33.348 31.823 0.124 0.000 1.000 460 V HN 0.121 nan 8.190 nan 0.000 0.433 461 D N 3.137 123.571 120.400 0.056 0.000 2.431 461 D HA 0.212 4.853 4.640 0.001 0.000 0.227 461 D C 0.717 177.100 176.300 0.138 0.000 1.030 461 D CA 0.579 54.632 54.000 0.088 0.000 0.897 461 D CB 0.741 41.596 40.800 0.092 0.000 1.058 461 D HN 0.454 nan 8.370 nan 0.000 0.500 462 R N -0.025 120.583 120.500 0.180 0.000 2.626 462 R HA 0.635 4.976 4.340 0.001 0.000 0.274 462 R C -1.370 175.013 176.300 0.138 0.000 1.031 462 R CA -0.654 55.547 56.100 0.168 0.000 0.898 462 R CB 3.116 33.548 30.300 0.221 0.000 1.222 462 R HN -0.254 nan 8.270 nan 0.000 0.455 463 V N 1.694 121.662 119.914 0.091 0.000 2.760 463 V HA 0.417 4.538 4.120 0.001 0.000 0.309 463 V C -0.845 175.281 176.094 0.054 0.000 1.077 463 V CA -0.878 61.468 62.300 0.077 0.000 0.910 463 V CB 2.020 33.881 31.823 0.064 0.000 1.008 463 V HN 0.756 nan 8.190 nan 0.000 0.424 464 Q N 2.775 122.607 119.800 0.053 0.000 2.347 464 Q HA 0.819 5.160 4.340 0.001 0.000 0.271 464 Q C -2.252 173.763 176.000 0.025 0.000 1.064 464 Q CA -0.501 55.321 55.803 0.031 0.000 0.800 464 Q CB 2.628 31.383 28.738 0.029 0.000 1.304 464 Q HN 0.571 nan 8.270 nan 0.000 0.438 465 V N 2.741 122.654 119.914 -0.002 0.000 2.588 465 V HA 0.589 4.710 4.120 0.001 0.000 0.304 465 V C -0.772 175.265 176.094 -0.095 0.000 1.042 465 V CA -0.505 61.782 62.300 -0.021 0.000 0.877 465 V CB 2.233 34.058 31.823 0.003 0.000 0.996 465 V HN 0.919 nan 8.190 nan 0.000 0.425 466 T N 5.641 120.092 114.554 -0.173 0.000 2.841 466 T HA 0.674 5.025 4.350 0.001 0.000 0.285 466 T C -0.623 173.759 174.700 -0.531 0.000 0.991 466 T CA -0.199 61.656 62.100 -0.408 0.000 0.966 466 T CB 1.257 69.756 68.868 -0.614 0.000 0.962 466 T HN 0.337 nan 8.240 nan 0.000 0.438 467 I N 3.431 123.704 120.570 -0.495 0.000 2.330 467 I HA 0.414 4.585 4.170 0.001 0.000 0.289 467 I C -0.767 175.045 176.117 -0.509 0.000 1.001 467 I CA -0.439 60.612 61.300 -0.414 0.000 1.193 467 I CB 0.612 38.485 38.000 -0.212 0.000 1.345 467 I HN 0.543 nan 8.210 nan 0.000 0.461 468 F N 4.080 123.895 119.950 -0.225 0.000 2.385 468 F HA 0.320 4.848 4.527 0.001 0.000 0.360 468 F C 1.347 177.049 175.800 -0.164 0.000 1.122 468 F CA -0.469 57.429 58.000 -0.170 0.000 1.090 468 F CB 1.369 40.271 39.000 -0.164 0.000 1.150 468 F HN 0.557 nan 8.300 nan 0.000 0.472 469 T N -2.612 111.973 114.554 0.053 0.000 2.985 469 T HA 0.010 4.360 4.350 0.001 0.000 0.254 469 T C 0.361 175.124 174.700 0.105 0.000 1.021 469 T CA -0.262 61.865 62.100 0.044 0.000 0.957 469 T CB -0.025 68.869 68.868 0.043 0.000 1.047 469 T HN 0.472 nan 8.240 nan 0.000 0.511 470 D N 2.092 122.574 120.400 0.136 0.000 2.401 470 D HA 0.001 4.642 4.640 0.001 0.000 0.254 470 D C 0.856 177.225 176.300 0.115 0.000 1.192 470 D CA 0.132 54.209 54.000 0.130 0.000 0.885 470 D CB 1.095 41.985 40.800 0.150 0.000 1.147 470 D HN 0.351 nan 8.370 nan 0.000 0.478 471 E N 2.882 123.136 120.200 0.090 0.000 2.110 471 E HA -0.198 4.153 4.350 0.001 0.000 0.193 471 E C 1.676 178.316 176.600 0.068 0.000 0.988 471 E CA 0.909 57.354 56.400 0.075 0.000 0.804 471 E CB 0.139 29.877 29.700 0.063 0.000 0.745 471 E HN 0.654 nan 8.360 nan 0.000 0.458 472 A N 1.644 124.504 122.820 0.067 0.000 1.873 472 A HA -0.177 4.144 4.320 0.001 0.000 0.215 472 A C 2.030 179.648 177.584 0.057 0.000 1.186 472 A CA 1.291 53.362 52.037 0.056 0.000 0.616 472 A CB -0.287 18.747 19.000 0.056 0.000 0.823 472 A HN 0.058 nan 8.150 nan 0.000 0.442 473 K N -0.203 120.242 120.400 0.075 0.000 2.103 473 K HA -0.101 4.220 4.320 0.001 0.000 0.207 473 K C 1.990 178.532 176.600 -0.097 0.000 1.048 473 K CA 1.451 57.755 56.287 0.029 0.000 0.930 473 K CB -0.668 31.902 32.500 0.116 0.000 0.716 473 K HN 0.367 nan 8.250 nan 0.000 0.444 474 V N 1.994 121.903 119.914 -0.008 0.000 2.307 474 V HA -0.184 3.937 4.120 0.001 0.000 0.245 474 V C 2.515 178.705 176.094 0.160 0.000 1.045 474 V CA 1.398 63.759 62.300 0.101 0.000 1.024 474 V CB -0.374 31.513 31.823 0.107 0.000 0.651 474 V HN 0.260 nan 8.190 nan 0.000 0.449 475 K N 0.021 120.472 120.400 0.084 0.000 2.113 475 K HA -0.253 4.068 4.320 0.001 0.000 0.208 475 K C 2.143 178.740 176.600 -0.005 0.000 1.047 475 K CA 1.963 58.276 56.287 0.044 0.000 0.928 475 K CB -0.135 32.382 32.500 0.028 0.000 0.716 475 K HN 0.644 nan 8.250 nan 0.000 0.446 476 E N -0.906 119.288 120.200 -0.009 0.000 2.008 476 E HA -0.164 4.187 4.350 0.001 0.000 0.191 476 E C 1.896 178.382 176.600 -0.190 0.000 0.986 476 E CA 1.010 57.357 56.400 -0.088 0.000 0.807 476 E CB -0.148 29.520 29.700 -0.053 0.000 0.766 476 E HN 0.271 nan 8.360 nan 0.000 0.450 477 Y N 0.112 120.240 120.300 -0.286 0.000 2.421 477 Y HA -0.151 4.400 4.550 0.001 0.000 0.292 477 Y C 2.245 177.711 175.900 -0.723 0.000 1.136 477 Y CA 1.174 59.031 58.100 -0.405 0.000 1.255 477 Y CB -0.277 37.963 38.460 -0.366 0.000 0.991 477 Y HN 0.238 nan 8.280 nan 0.000 0.552 478 M N 0.341 119.697 119.600 -0.407 0.000 2.144 478 M HA -0.230 4.251 4.480 0.001 0.000 0.260 478 M C 1.752 177.820 176.300 -0.387 0.000 1.067 478 M CA 1.835 56.859 55.300 -0.459 0.000 1.095 478 M CB -0.085 32.486 32.600 -0.049 0.000 1.365 478 M HN -0.007 nan 8.290 nan 0.000 0.406 479 E N -0.465 119.562 120.200 -0.288 0.000 2.072 479 E HA -0.094 4.257 4.350 0.001 0.000 0.190 479 E C 2.250 178.668 176.600 -0.302 0.000 0.982 479 E CA 1.430 57.682 56.400 -0.247 0.000 0.803 479 E CB -0.900 28.689 29.700 -0.184 0.000 0.755 479 E HN 0.455 nan 8.360 nan 0.000 0.453 480 V N 2.020 121.724 119.914 -0.351 0.000 2.252 480 V HA -0.328 3.792 4.120 0.001 0.000 0.249 480 V C 2.474 178.328 176.094 -0.400 0.000 1.056 480 V CA 2.192 64.292 62.300 -0.334 0.000 1.022 480 V CB -1.052 30.576 31.823 -0.325 0.000 0.641 480 V HN 0.275 nan 8.190 nan 0.000 0.445 481 A N -0.330 122.143 122.820 -0.579 0.000 1.877 481 A HA -0.243 4.078 4.320 0.001 0.000 0.216 481 A C 2.370 179.280 177.584 -1.124 0.000 1.186 481 A CA 1.961 53.494 52.037 -0.839 0.000 0.620 481 A CB -0.570 17.874 19.000 -0.927 0.000 0.822 481 A HN 0.506 nan 8.150 nan 0.000 0.443 482 R N -0.768 119.321 120.500 -0.685 0.000 2.117 482 R HA -0.199 4.142 4.340 0.001 0.000 0.243 482 R C 2.265 178.385 176.300 -0.300 0.000 1.143 482 R CA 1.680 57.541 56.100 -0.398 0.000 0.968 482 R CB -0.293 29.904 30.300 -0.172 0.000 0.863 482 R HN 0.798 nan 8.270 nan 0.000 0.444 483 E N 0.812 120.839 120.200 -0.288 0.000 2.051 483 E HA -0.187 4.164 4.350 0.001 0.000 0.192 483 E C 1.758 178.260 176.600 -0.164 0.000 0.991 483 E CA 1.254 57.543 56.400 -0.185 0.000 0.799 483 E CB 0.224 29.821 29.700 -0.171 0.000 0.748 483 E HN 0.075 nan 8.360 nan 0.000 0.449 484 K N -0.042 120.212 120.400 -0.244 0.000 2.032 484 K HA -0.196 4.124 4.320 0.001 0.000 0.209 484 K C 2.208 178.797 176.600 -0.019 0.000 1.048 484 K CA 1.779 57.976 56.287 -0.150 0.000 0.927 484 K CB -0.661 31.731 32.500 -0.181 0.000 0.712 484 K HN 0.449 nan 8.250 nan 0.000 0.441 485 Y N 1.221 121.507 120.300 -0.023 0.000 2.224 485 Y HA -0.226 4.325 4.550 0.001 0.000 0.289 485 Y C 2.471 178.363 175.900 -0.012 0.000 1.146 485 Y CA 0.800 58.894 58.100 -0.012 0.000 1.182 485 Y CB -0.173 38.279 38.460 -0.013 0.000 0.983 485 Y HN 0.113 nan 8.280 nan 0.000 0.524 486 K N 0.594 121.061 120.400 0.111 0.000 2.025 486 K HA -0.164 4.156 4.320 0.001 0.000 0.207 486 K C 1.816 178.436 176.600 0.033 0.000 1.049 486 K CA 1.677 57.996 56.287 0.053 0.000 0.933 486 K CB -0.213 32.294 32.500 0.012 0.000 0.714 486 K HN 0.333 nan 8.250 nan 0.000 0.438 487 E N 0.756 120.965 120.200 0.016 0.000 2.033 487 E HA -0.234 4.117 4.350 0.001 0.000 0.199 487 E C 2.141 178.760 176.600 0.031 0.000 1.011 487 E CA 1.505 57.912 56.400 0.012 0.000 0.815 487 E CB -0.077 29.621 29.700 -0.004 0.000 0.755 487 E HN 0.209 nan 8.360 nan 0.000 0.451 488 R N 0.709 121.243 120.500 0.055 0.000 2.096 488 R HA -0.172 4.169 4.340 0.001 0.000 0.240 488 R C 2.089 178.421 176.300 0.054 0.000 1.139 488 R CA 1.676 57.815 56.100 0.066 0.000 0.952 488 R CB -0.296 30.063 30.300 0.099 0.000 0.854 488 R HN 0.185 nan 8.270 nan 0.000 0.436 489 D N 0.446 120.880 120.400 0.057 0.000 2.123 489 D HA -0.147 4.494 4.640 0.001 0.000 0.196 489 D C 1.444 177.758 176.300 0.022 0.000 0.992 489 D CA 1.290 55.312 54.000 0.037 0.000 0.833 489 D CB -0.329 40.492 40.800 0.036 0.000 0.954 489 D HN 0.172 nan 8.370 nan 0.000 0.455 490 D N 0.163 120.574 120.400 0.019 0.000 2.097 490 D HA -0.065 4.576 4.640 0.001 0.000 0.197 490 D C 2.225 178.529 176.300 0.007 0.000 0.984 490 D CA 0.700 54.706 54.000 0.009 0.000 0.826 490 D CB -0.127 40.676 40.800 0.004 0.000 0.973 490 D HN 0.188 nan 8.370 nan 0.000 0.460 491 R N -0.094 120.413 120.500 0.013 0.000 2.081 491 R HA -0.022 4.319 4.340 0.001 0.000 0.235 491 R C 2.322 178.629 176.300 0.012 0.000 1.131 491 R CA 0.784 56.891 56.100 0.012 0.000 0.960 491 R CB -0.237 30.075 30.300 0.021 0.000 0.856 491 R HN 0.222 nan 8.270 nan 0.000 0.436 492 M N 0.396 120.009 119.600 0.022 0.000 2.149 492 M HA -0.173 4.308 4.480 0.001 0.000 0.261 492 M C 2.303 178.605 176.300 0.003 0.000 1.064 492 M CA 1.480 56.794 55.300 0.023 0.000 1.102 492 M CB -0.643 31.979 32.600 0.036 0.000 1.369 492 M HN 0.113 nan 8.290 nan 0.000 0.408 493 R N 0.142 120.642 120.500 0.000 0.000 2.237 493 R HA -0.066 4.274 4.340 0.001 0.000 0.219 493 R C 1.754 178.044 176.300 -0.017 0.000 1.080 493 R CA 1.479 57.573 56.100 -0.009 0.000 0.995 493 R CB -0.257 30.038 30.300 -0.009 0.000 0.875 493 R HN 0.360 nan 8.270 nan 0.000 0.462 494 G N -0.021 108.768 108.800 -0.018 0.000 3.020 494 G HA2 0.120 4.081 3.960 0.001 0.000 0.217 494 G HA3 0.120 4.081 3.960 0.001 0.000 0.217 494 G C 0.324 175.196 174.900 -0.047 0.000 1.144 494 G CA -0.468 44.616 45.100 -0.027 0.000 0.760 494 G HN 0.175 nan 8.290 nan 0.000 0.548 495 L N 3.383 124.571 121.223 -0.059 0.000 2.356 495 L HA 0.322 4.662 4.340 0.001 0.000 0.282 495 L C 0.544 177.332 176.870 -0.136 0.000 1.132 495 L CA -0.185 54.580 54.840 -0.125 0.000 0.923 495 L CB 0.346 42.335 42.059 -0.117 0.000 1.278 495 L HN 0.204 nan 8.230 nan 0.000 0.436 496 T N -2.189 112.289 114.554 -0.126 0.000 2.940 496 T HA 0.279 4.630 4.350 0.001 0.000 0.288 496 T C 0.685 175.335 174.700 -0.083 0.000 1.045 496 T CA -0.809 61.240 62.100 -0.084 0.000 1.018 496 T CB 1.952 70.796 68.868 -0.038 0.000 1.151 496 T HN 0.269 nan 8.240 nan 0.000 0.529 497 D N 0.449 120.851 120.400 0.004 0.000 2.097 497 D HA -0.045 4.596 4.640 0.001 0.000 0.195 497 D C 1.883 178.274 176.300 0.152 0.000 0.989 497 D CA 1.382 55.464 54.000 0.136 0.000 0.827 497 D CB -0.165 40.799 40.800 0.273 0.000 0.966 497 D HN 0.722 nan 8.370 nan 0.000 0.456 498 E N -0.571 119.699 120.200 0.117 0.000 2.153 498 E HA -0.116 4.235 4.350 0.001 0.000 0.194 498 E C 2.001 178.617 176.600 0.027 0.000 0.988 498 E CA 1.526 57.983 56.400 0.094 0.000 0.811 498 E CB -0.417 29.329 29.700 0.078 0.000 0.746 498 E HN 0.427 nan 8.360 nan 0.000 0.466 499 T N -2.161 112.384 114.554 -0.016 0.000 3.100 499 T HA 0.112 4.463 4.350 0.001 0.000 0.253 499 T C 0.811 175.469 174.700 -0.069 0.000 1.118 499 T CA 0.147 62.222 62.100 -0.040 0.000 1.058 499 T CB -0.457 68.382 68.868 -0.048 0.000 0.953 499 T HN 0.027 nan 8.240 nan 0.000 0.515 500 V N 0.504 120.357 119.914 -0.102 0.000 2.837 500 V HA 0.635 4.756 4.120 0.001 0.000 0.310 500 V C 0.472 176.500 176.094 -0.109 0.000 1.059 500 V CA -0.598 61.638 62.300 -0.107 0.000 1.004 500 V CB 1.637 33.324 31.823 -0.227 0.000 1.045 500 V HN 0.300 nan 8.190 nan 0.000 0.465 501 D N -0.172 120.180 120.400 -0.081 0.000 2.395 501 D HA 0.187 4.828 4.640 0.001 0.000 0.213 501 D C 0.318 176.465 176.300 -0.256 0.000 1.110 501 D CA -0.034 53.869 54.000 -0.162 0.000 0.835 501 D CB 0.334 41.083 40.800 -0.085 0.000 0.965 501 D HN 0.622 nan 8.370 nan 0.000 0.505 502 T N 0.453 114.902 114.554 -0.175 0.000 3.011 502 T HA 0.368 4.718 4.350 0.001 0.000 0.303 502 T C -0.613 174.165 174.700 0.129 0.000 0.997 502 T CA -0.614 61.367 62.100 -0.199 0.000 1.007 502 T CB 1.097 69.855 68.868 -0.184 0.000 1.017 502 T HN -0.034 nan 8.240 nan 0.000 0.443 503 F N 1.376 121.213 119.950 -0.187 0.000 2.411 503 F HA 0.651 5.178 4.527 0.001 0.000 0.324 503 F C -0.262 175.291 175.800 -0.413 0.000 1.086 503 F CA -1.181 56.778 58.000 -0.068 0.000 1.028 503 F CB 1.177 40.061 39.000 -0.193 0.000 1.284 503 F HN 0.446 nan 8.300 nan 0.000 0.501 504 Y N -0.158 120.200 120.300 0.096 0.000 2.499 504 Y HA 0.289 4.840 4.550 0.001 0.000 0.347 504 Y C 0.158 175.972 175.900 -0.144 0.000 0.987 504 Y CA -0.930 57.082 58.100 -0.147 0.000 1.044 504 Y CB 2.094 40.403 38.460 -0.253 0.000 1.245 504 Y HN 0.506 nan 8.280 nan 0.000 0.461 505 S N 0.592 116.239 115.700 -0.089 0.000 2.669 505 S HA 0.635 5.106 4.470 0.001 0.000 0.270 505 S C -0.683 173.946 174.600 0.047 0.000 1.225 505 S CA -0.623 57.540 58.200 -0.061 0.000 0.991 505 S CB 1.563 64.667 63.200 -0.161 0.000 0.987 505 S HN 0.758 nan 8.310 nan 0.000 0.552 506 C N 1.523 120.866 119.300 0.072 0.000 2.535 506 C HA 0.697 5.158 4.460 0.001 0.000 0.319 506 C C 0.420 175.467 174.990 0.095 0.000 1.171 506 C CA -0.271 58.797 59.018 0.082 0.000 1.394 506 C CB 0.607 28.393 27.740 0.076 0.000 1.990 506 C HN 1.042 nan 8.230 nan 0.000 0.466 507 V N 4.558 124.537 119.914 0.107 0.000 2.988 507 V HA 0.284 4.405 4.120 0.001 0.000 0.356 507 V C 0.974 177.133 176.094 0.109 0.000 1.380 507 V CA 0.150 62.514 62.300 0.107 0.000 1.184 507 V CB -0.208 31.681 31.823 0.110 0.000 1.204 507 V HN 0.748 nan 8.190 nan 0.000 0.530 508 L N 0.863 122.143 121.223 0.096 0.000 2.046 508 L HA -0.042 4.299 4.340 0.001 0.000 0.208 508 L C 2.249 179.162 176.870 0.071 0.000 1.077 508 L CA 2.452 57.333 54.840 0.068 0.000 0.747 508 L CB -0.602 41.476 42.059 0.032 0.000 0.896 508 L HN 0.475 nan 8.230 nan 0.000 0.432 509 C N -0.377 118.987 119.300 0.107 0.000 2.511 509 C HA -0.054 4.407 4.460 0.001 0.000 0.277 509 C C 2.485 177.585 174.990 0.183 0.000 1.451 509 C CA 0.161 59.247 59.018 0.113 0.000 1.735 509 C CB -1.336 26.492 27.740 0.146 0.000 1.704 509 C HN 0.581 nan 8.230 nan 0.000 0.571 510 Q N 1.009 120.914 119.800 0.175 0.000 2.364 510 Q HA -0.124 4.217 4.340 0.001 0.000 0.207 510 Q C 2.254 178.347 176.000 0.155 0.000 0.970 510 Q CA 1.548 57.452 55.803 0.170 0.000 0.888 510 Q CB -0.090 28.725 28.738 0.128 0.000 0.951 510 Q HN 0.895 nan 8.270 nan 0.000 0.469 511 S N -0.533 115.265 115.700 0.164 0.000 2.419 511 S HA -0.126 4.345 4.470 0.001 0.000 0.235 511 S C 1.296 175.908 174.600 0.020 0.000 1.019 511 S CA 1.020 59.310 58.200 0.150 0.000 0.982 511 S CB -0.130 63.201 63.200 0.218 0.000 0.789 511 S HN 0.302 nan 8.310 nan 0.000 0.490 512 F N 1.077 121.038 119.950 0.020 0.000 2.667 512 F HA 0.572 5.100 4.527 0.002 0.000 0.288 512 F C 1.284 177.257 175.800 0.289 0.000 1.086 512 F CA -0.160 57.913 58.000 0.122 0.000 1.297 512 F CB 0.262 39.222 39.000 -0.066 0.000 1.059 512 F HN 0.241 nan 8.300 nan 0.000 0.624 513 A N 1.623 124.664 122.820 0.369 0.000 2.802 513 A HA 0.439 4.760 4.320 0.001 0.000 0.344 513 A C -1.843 175.896 177.584 0.259 0.000 1.215 513 A CA -1.184 51.048 52.037 0.324 0.000 0.821 513 A CB -0.171 19.016 19.000 0.311 0.000 1.099 513 A HN -0.037 nan 8.150 nan 0.000 0.479 514 P HA -0.132 nan 4.420 nan 0.000 0.219 514 P C 0.349 177.722 177.300 0.120 0.000 1.146 514 P CA 1.222 64.412 63.100 0.151 0.000 0.808 514 P CB 0.302 32.080 31.700 0.130 0.000 0.779 515 N N -1.820 116.960 118.700 0.133 0.000 2.205 515 N HA 0.004 4.745 4.740 0.001 0.000 0.201 515 N C 0.397 175.976 175.510 0.114 0.000 1.128 515 N CA -0.013 53.092 53.050 0.091 0.000 0.867 515 N CB -0.617 37.913 38.487 0.072 0.000 0.996 515 N HN 0.354 nan 8.380 nan 0.000 0.503 516 H N 0.384 119.513 119.070 0.099 0.000 2.582 516 H HA 0.423 4.980 4.556 0.001 0.000 0.345 516 H C -0.742 174.651 175.328 0.109 0.000 1.104 516 H CA -0.074 56.040 56.048 0.111 0.000 1.390 516 H CB 0.760 30.606 29.762 0.141 0.000 1.461 516 H HN -0.315 nan 8.280 nan 0.000 0.551 517 V N 5.157 124.572 119.914 -0.833 0.000 2.623 517 V HA 0.200 4.321 4.120 0.001 0.000 0.304 517 V C -0.403 175.369 176.094 -0.536 0.000 1.054 517 V CA -0.899 61.108 62.300 -0.487 0.000 0.882 517 V CB 1.426 33.190 31.823 -0.099 0.000 1.002 517 V HN 0.923 nan 8.190 nan 0.000 0.424 518 C N 5.786 124.946 119.300 -0.232 0.000 2.405 518 C HA 0.605 5.066 4.460 0.001 0.000 0.365 518 C C 0.004 175.005 174.990 0.019 0.000 1.233 518 C CA -0.608 58.405 59.018 -0.008 0.000 2.230 518 C CB 0.609 28.425 27.740 0.128 0.000 2.443 518 C HN 0.597 nan 8.230 nan 0.000 0.556 519 I N 3.807 124.387 120.570 0.016 0.000 2.355 519 I HA 0.331 4.502 4.170 0.001 0.000 0.288 519 I C -0.196 175.899 176.117 -0.038 0.000 0.999 519 I CA -0.226 61.069 61.300 -0.008 0.000 1.163 519 I CB 1.071 39.060 38.000 -0.019 0.000 1.316 519 I HN 0.272 nan 8.210 nan 0.000 0.454 520 V N 6.047 125.967 119.914 0.011 0.000 2.347 520 V HA 0.470 4.591 4.120 0.001 0.000 0.280 520 V C 0.573 176.734 176.094 0.112 0.000 1.021 520 V CA -0.407 61.929 62.300 0.061 0.000 0.847 520 V CB 1.561 33.458 31.823 0.123 0.000 0.990 520 V HN 0.915 nan 8.190 nan 0.000 0.444 521 T N 2.607 117.134 114.554 -0.045 0.000 2.940 521 T HA 0.523 4.874 4.350 0.001 0.000 0.288 521 T C -2.103 172.602 174.700 0.008 0.000 1.045 521 T CA -2.235 59.765 62.100 -0.166 0.000 1.018 521 T CB 2.369 70.836 68.868 -0.667 0.000 1.151 521 T HN 0.298 nan 8.240 nan 0.000 0.529 522 P HA -0.037 nan 4.420 nan 0.000 0.216 522 P C 0.748 178.046 177.300 -0.004 0.000 1.150 522 P CA 1.153 64.156 63.100 -0.162 0.000 0.837 522 P CB 0.058 31.516 31.700 -0.403 0.000 0.786 523 E N -1.446 118.759 120.200 0.007 0.000 2.419 523 E HA 0.121 4.472 4.350 0.001 0.000 0.190 523 E C 0.550 177.278 176.600 0.213 0.000 1.040 523 E CA -0.114 56.351 56.400 0.108 0.000 0.900 523 E CB 0.160 29.919 29.700 0.097 0.000 1.054 523 E HN 0.080 nan 8.360 nan 0.000 0.462 524 R N 1.380 121.940 120.500 0.101 0.000 2.797 524 R HA 0.168 4.508 4.340 0.001 0.000 0.274 524 R C -0.949 175.344 176.300 -0.013 0.000 1.652 524 R CA -0.286 55.795 56.100 -0.031 0.000 1.175 524 R CB 1.232 31.379 30.300 -0.254 0.000 1.283 524 R HN -0.015 nan 8.270 nan 0.000 0.513 525 V N 3.036 122.993 119.914 0.072 0.000 3.287 525 V HA 0.348 4.469 4.120 0.001 0.000 0.306 525 V C 0.838 176.967 176.094 0.058 0.000 1.103 525 V CA 0.801 63.159 62.300 0.096 0.000 1.159 525 V CB 1.009 32.914 31.823 0.137 0.000 1.036 525 V HN 0.837 nan 8.190 nan 0.000 0.487 526 G N 3.745 112.594 108.800 0.081 0.000 2.491 526 G HA2 0.209 4.170 3.960 0.001 0.000 0.238 526 G HA3 0.209 4.170 3.960 0.001 0.000 0.238 526 G C 0.564 175.532 174.900 0.114 0.000 1.277 526 G CA 0.138 45.293 45.100 0.092 0.000 0.851 526 G HN 1.289 nan 8.290 nan 0.000 0.573 527 L N 1.120 122.430 121.223 0.145 0.000 2.275 527 L HA -0.040 4.301 4.340 0.001 0.000 0.215 527 L C 2.532 179.505 176.870 0.173 0.000 1.119 527 L CA 1.518 56.470 54.840 0.187 0.000 0.790 527 L CB -1.406 40.803 42.059 0.251 0.000 0.919 527 L HN 0.600 nan 8.230 nan 0.000 0.443 528 C N -1.059 118.311 119.300 0.116 0.000 2.456 528 C HA 0.570 5.031 4.460 0.001 0.000 0.279 528 C C 2.129 177.155 174.990 0.059 0.000 1.427 528 C CA -0.304 58.752 59.018 0.063 0.000 1.778 528 C CB -1.325 26.432 27.740 0.028 0.000 1.842 528 C HN 0.915 nan 8.230 nan 0.000 0.531 529 G N 0.202 109.053 108.800 0.086 0.000 2.179 529 G HA2 -0.049 3.912 3.960 0.001 0.000 0.260 529 G HA3 -0.049 3.912 3.960 0.001 0.000 0.260 529 G C 0.770 175.714 174.900 0.073 0.000 0.977 529 G CA 0.394 45.548 45.100 0.090 0.000 0.641 529 G HN 1.583 nan 8.290 nan 0.000 0.533 530 A N -0.843 122.010 122.820 0.055 0.000 2.431 530 A HA 0.710 5.031 4.320 0.001 0.000 0.239 530 A C 0.508 178.115 177.584 0.039 0.000 1.230 530 A CA 0.957 53.018 52.037 0.040 0.000 0.928 530 A CB 0.843 19.854 19.000 0.017 0.000 1.006 530 A HN 1.039 nan 8.150 nan 0.000 0.520 531 V N 2.012 121.957 119.914 0.052 0.000 2.398 531 V HA 0.355 4.475 4.120 0.001 0.000 0.282 531 V C 0.119 176.256 176.094 0.072 0.000 1.014 531 V CA -0.245 62.082 62.300 0.045 0.000 0.838 531 V CB 1.067 32.911 31.823 0.035 0.000 1.018 531 V HN 0.494 nan 8.190 nan 0.000 0.432 532 S N 2.821 118.571 115.700 0.083 0.000 2.693 532 S HA 0.355 4.826 4.470 0.001 0.000 0.276 532 S C 0.667 175.365 174.600 0.163 0.000 1.192 532 S CA -0.407 57.876 58.200 0.139 0.000 0.994 532 S CB 1.288 64.579 63.200 0.152 0.000 1.012 532 S HN 0.723 nan 8.310 nan 0.000 0.550 533 W N 1.173 122.500 121.300 0.046 0.000 2.305 533 W HA -0.157 4.504 4.660 0.002 0.000 0.308 533 W C 1.692 178.212 176.519 0.001 0.000 1.226 533 W CA 1.606 58.991 57.345 0.066 0.000 1.253 533 W CB -0.472 29.061 29.460 0.122 0.000 1.146 533 W HN 0.689 nan 8.180 nan 0.000 0.507 534 L N 0.073 121.458 121.223 0.268 0.000 2.093 534 L HA -0.220 4.121 4.340 0.001 0.000 0.208 534 L C 2.309 179.151 176.870 -0.047 0.000 1.085 534 L CA 1.567 56.484 54.840 0.129 0.000 0.755 534 L CB -0.860 41.379 42.059 0.299 0.000 0.904 534 L HN -0.063 nan 8.230 nan 0.000 0.435 535 D N 0.263 120.647 120.400 -0.026 0.000 2.104 535 D HA -0.198 4.442 4.640 0.001 0.000 0.194 535 D C 2.183 178.363 176.300 -0.201 0.000 0.994 535 D CA 1.637 55.593 54.000 -0.074 0.000 0.830 535 D CB 0.020 40.816 40.800 -0.007 0.000 0.959 535 D HN 0.354 nan 8.370 nan 0.000 0.452 536 A N 1.214 123.866 122.820 -0.279 0.000 1.898 536 A HA -0.194 4.127 4.320 0.001 0.000 0.216 536 A C 2.105 179.235 177.584 -0.756 0.000 1.181 536 A CA 1.689 53.483 52.037 -0.405 0.000 0.620 536 A CB -0.470 18.328 19.000 -0.337 0.000 0.819 536 A HN 0.160 nan 8.150 nan 0.000 0.442 537 K N -0.138 119.582 120.400 -1.133 0.000 2.032 537 K HA -0.146 4.175 4.320 0.001 0.000 0.209 537 K C 2.146 178.485 176.600 -0.436 0.000 1.048 537 K CA 1.423 57.062 56.287 -1.081 0.000 0.927 537 K CB -0.373 31.580 32.500 -0.912 0.000 0.712 537 K HN 0.347 nan 8.250 nan 0.000 0.441 538 A N 0.661 123.167 122.820 -0.523 0.000 1.877 538 A HA -0.185 4.136 4.320 0.001 0.000 0.216 538 A C 2.210 179.571 177.584 -0.372 0.000 1.186 538 A CA 2.210 53.753 52.037 -0.822 0.000 0.620 538 A CB -1.023 17.366 19.000 -1.018 0.000 0.822 538 A HN 0.520 nan 8.150 nan 0.000 0.443 539 S N -1.750 113.804 115.700 -0.243 0.000 2.370 539 S HA -0.254 4.217 4.470 0.001 0.000 0.226 539 S C 1.922 176.476 174.600 -0.077 0.000 1.033 539 S CA 1.890 60.011 58.200 -0.132 0.000 1.011 539 S CB -0.627 62.511 63.200 -0.105 0.000 0.852 539 S HN 0.660 nan 8.310 nan 0.000 0.457 540 Y N 2.357 122.526 120.300 -0.219 0.000 2.097 540 Y HA -0.125 4.426 4.550 0.001 0.000 0.282 540 Y C 2.369 178.172 175.900 -0.161 0.000 1.152 540 Y CA 2.336 60.328 58.100 -0.181 0.000 1.136 540 Y CB -0.637 37.724 38.460 -0.165 0.000 0.975 540 Y HN 0.256 nan 8.280 nan 0.000 0.498 541 E N 0.438 120.500 120.200 -0.229 0.000 2.118 541 E HA -0.221 4.130 4.350 0.001 0.000 0.195 541 E C 2.391 178.962 176.600 -0.049 0.000 0.992 541 E CA 1.721 58.049 56.400 -0.120 0.000 0.804 541 E CB -0.546 29.189 29.700 0.059 0.000 0.741 541 E HN 0.631 nan 8.360 nan 0.000 0.458 542 I N 0.372 120.896 120.570 -0.077 0.000 2.252 542 I HA -0.186 3.985 4.170 0.001 0.000 0.245 542 I C 0.866 176.973 176.117 -0.015 0.000 1.102 542 I CA 0.763 62.041 61.300 -0.035 0.000 1.385 542 I CB 0.033 38.007 38.000 -0.044 0.000 1.064 542 I HN -0.026 nan 8.210 nan 0.000 0.414 543 N N -0.578 118.109 118.700 -0.022 0.000 2.599 543 N HA 0.123 4.864 4.740 0.001 0.000 0.283 543 N C 0.216 175.738 175.510 0.020 0.000 1.160 543 N CA -0.317 52.743 53.050 0.016 0.000 0.869 543 N CB 0.655 39.151 38.487 0.015 0.000 1.448 543 N HN 0.112 nan 8.380 nan 0.000 0.535 544 H N 1.505 120.453 119.070 -0.204 0.000 2.545 544 H HA 0.056 4.613 4.556 0.001 0.000 0.282 544 H C 0.708 176.105 175.328 0.115 0.000 1.020 544 H CA 1.011 56.940 56.048 -0.199 0.000 1.243 544 H CB 0.808 30.437 29.762 -0.222 0.000 1.377 544 H HN 0.555 nan 8.280 nan 0.000 0.581 545 A N 0.926 123.854 122.820 0.180 0.000 2.465 545 A HA 0.306 4.627 4.320 0.001 0.000 0.255 545 A C 1.418 179.080 177.584 0.129 0.000 1.274 545 A CA 0.147 52.277 52.037 0.154 0.000 0.920 545 A CB 0.069 19.133 19.000 0.107 0.000 1.033 545 A HN 0.306 nan 8.150 nan 0.000 0.516 546 G N 0.257 109.134 108.800 0.129 0.000 2.509 546 G HA2 0.419 4.380 3.960 0.001 0.000 0.269 546 G HA3 0.419 4.380 3.960 0.001 0.000 0.269 546 G C -1.022 173.946 174.900 0.115 0.000 1.416 546 G CA -0.389 44.770 45.100 0.099 0.000 1.052 546 G HN 0.096 nan 8.290 nan 0.000 0.542 547 P HA 0.031 nan 4.420 nan 0.000 0.241 547 P C -0.346 177.014 177.300 0.101 0.000 1.191 547 P CA 0.441 63.597 63.100 0.094 0.000 0.771 547 P CB 0.179 31.919 31.700 0.068 0.000 0.929 548 N N 0.115 118.877 118.700 0.103 0.000 2.399 548 N HA 0.310 5.051 4.740 0.001 0.000 0.280 548 N C -0.708 174.883 175.510 0.135 0.000 1.008 548 N CA -0.490 52.616 53.050 0.093 0.000 0.894 548 N CB 1.567 40.066 38.487 0.020 0.000 1.273 548 N HN -0.076 nan 8.380 nan 0.000 0.486 549 Q N 1.735 121.561 119.800 0.044 0.000 2.356 549 Q HA 0.463 4.804 4.340 0.001 0.000 0.270 549 Q C -2.645 173.139 176.000 -0.360 0.000 1.058 549 Q CA -2.131 53.595 55.803 -0.129 0.000 0.802 549 Q CB 2.677 31.393 28.738 -0.037 0.000 1.303 549 Q HN 0.341 nan 8.270 nan 0.000 0.444 550 P HA 0.182 nan 4.420 nan 0.000 0.276 550 P C -0.806 176.123 177.300 -0.617 0.000 1.235 550 P CA 0.169 62.734 63.100 -0.892 0.000 0.772 550 P CB 0.562 31.736 31.700 -0.878 0.000 0.871 551 I N 5.386 125.596 120.570 -0.600 0.000 2.411 551 I HA 0.274 4.444 4.170 0.001 0.000 0.284 551 I C -2.103 173.783 176.117 -0.384 0.000 1.012 551 I CA -2.905 58.143 61.300 -0.419 0.000 1.119 551 I CB 1.921 39.689 38.000 -0.387 0.000 1.261 551 I HN 0.106 nan 8.210 nan 0.000 0.448 552 P HA -0.066 nan 4.420 nan 0.000 0.264 552 P C -0.583 176.496 177.300 -0.368 0.000 1.193 552 P CA -0.211 62.721 63.100 -0.280 0.000 0.763 552 P CB 0.664 32.267 31.700 -0.161 0.000 0.810 553 K N 4.094 124.176 120.400 -0.531 0.000 2.083 553 K HA 0.106 4.427 4.320 0.001 0.000 0.246 553 K C -0.287 176.120 176.600 -0.322 0.000 1.160 553 K CA 0.075 55.879 56.287 -0.805 0.000 1.060 553 K CB -0.115 31.694 32.500 -1.151 0.000 1.417 553 K HN 0.428 nan 8.250 nan 0.000 0.329 554 E N 0.681 120.823 120.200 -0.096 0.000 2.408 554 E HA 0.348 4.699 4.350 0.001 0.000 0.275 554 E C -0.450 176.269 176.600 0.198 0.000 0.935 554 E CA -0.779 55.668 56.400 0.078 0.000 0.775 554 E CB 1.839 31.541 29.700 0.005 0.000 1.277 554 E HN 0.526 nan 8.360 nan 0.000 0.455 555 G N 2.026 110.916 108.800 0.150 0.000 2.289 555 G HA2 -0.315 3.646 3.960 0.001 0.000 0.280 555 G HA3 -0.315 3.646 3.960 0.001 0.000 0.280 555 G C -0.054 174.905 174.900 0.099 0.000 1.089 555 G CA 0.738 45.903 45.100 0.108 0.000 0.939 555 G HN 0.556 nan 8.290 nan 0.000 0.499 556 E N -0.692 119.556 120.200 0.080 0.000 2.493 556 E HA 0.282 4.633 4.350 0.001 0.000 0.255 556 E C 1.303 177.783 176.600 -0.201 0.000 0.999 556 E CA -0.164 56.121 56.400 -0.192 0.000 0.934 556 E CB 0.149 29.767 29.700 -0.136 0.000 0.940 556 E HN 0.445 nan 8.360 nan 0.000 0.473 557 I N 2.937 123.332 120.570 -0.292 0.000 3.172 557 I HA 0.091 4.262 4.170 0.001 0.000 0.278 557 I C 0.432 176.425 176.117 -0.207 0.000 1.174 557 I CA 0.140 61.327 61.300 -0.187 0.000 1.445 557 I CB 0.550 38.469 38.000 -0.136 0.000 1.175 557 I HN 0.456 nan 8.210 nan 0.000 0.447 558 D N 0.438 120.646 120.400 -0.320 0.000 2.613 558 D HA 0.165 4.806 4.640 0.001 0.000 0.230 558 D C -2.268 173.825 176.300 -0.345 0.000 1.365 558 D CA -1.436 52.417 54.000 -0.246 0.000 0.976 558 D CB 2.255 42.955 40.800 -0.167 0.000 1.415 558 D HN -0.132 nan 8.370 nan 0.000 0.589 559 P HA 0.051 nan 4.420 nan 0.000 0.240 559 P C 1.449 178.771 177.300 0.037 0.000 1.190 559 P CA -0.011 62.998 63.100 -0.153 0.000 0.781 559 P CB 0.958 32.633 31.700 -0.042 0.000 0.931 560 I N 0.832 121.410 120.570 0.013 0.000 2.296 560 I HA -0.061 4.110 4.170 0.001 0.000 0.242 560 I C 2.289 178.500 176.117 0.157 0.000 1.087 560 I CA 1.245 62.589 61.300 0.072 0.000 1.393 560 I CB -1.346 36.666 38.000 0.018 0.000 1.093 560 I HN -0.111 nan 8.210 nan 0.000 0.421 561 K N 0.407 120.842 120.400 0.058 0.000 2.211 561 K HA 0.111 4.432 4.320 0.001 0.000 0.203 561 K C 0.842 177.436 176.600 -0.011 0.000 1.050 561 K CA 0.858 57.173 56.287 0.046 0.000 0.945 561 K CB -0.216 32.271 32.500 -0.023 0.000 0.732 561 K HN 0.473 nan 8.250 nan 0.000 0.451 562 G N 2.041 110.756 108.800 -0.141 0.000 2.452 562 G HA2 -0.208 3.752 3.960 0.001 0.000 0.275 562 G HA3 -0.208 3.752 3.960 0.001 0.000 0.275 562 G C -0.330 174.339 174.900 -0.386 0.000 1.131 562 G CA -0.396 44.429 45.100 -0.457 0.000 1.031 562 G HN 0.190 nan 8.290 nan 0.000 0.511 563 I N 0.093 120.317 120.570 -0.576 0.000 2.406 563 I HA 0.565 4.736 4.170 0.001 0.000 0.290 563 I C -0.002 175.830 176.117 -0.476 0.000 0.999 563 I CA -0.914 60.212 61.300 -0.290 0.000 1.124 563 I CB 1.341 39.237 38.000 -0.172 0.000 1.289 563 I HN 0.137 nan 8.210 nan 0.000 0.441 564 W N 5.270 126.584 121.300 0.025 0.000 2.839 564 W HA 0.293 4.954 4.660 0.001 0.000 0.334 564 W C 0.880 177.411 176.519 0.020 0.000 1.064 564 W CA -0.889 56.468 57.345 0.019 0.000 1.236 564 W CB 2.221 31.691 29.460 0.017 0.000 1.405 564 W HN 0.642 nan 8.180 nan 0.000 0.478 565 K N 1.034 121.546 120.400 0.186 0.000 2.063 565 K HA -0.215 4.106 4.320 0.001 0.000 0.208 565 K C 1.885 178.571 176.600 0.143 0.000 1.048 565 K CA 2.590 58.950 56.287 0.122 0.000 0.928 565 K CB -0.066 32.476 32.500 0.070 0.000 0.713 565 K HN 0.362 nan 8.250 nan 0.000 0.442 566 S N -0.203 115.592 115.700 0.157 0.000 2.399 566 S HA -0.103 4.368 4.470 0.001 0.000 0.231 566 S C 1.972 176.662 174.600 0.150 0.000 1.022 566 S CA 1.277 59.545 58.200 0.113 0.000 0.983 566 S CB -0.382 62.842 63.200 0.040 0.000 0.803 566 S HN 0.145 nan 8.310 nan 0.000 0.480 567 V N 2.713 122.748 119.914 0.200 0.000 2.488 567 V HA -0.079 4.042 4.120 0.001 0.000 0.246 567 V C 2.431 178.667 176.094 0.238 0.000 1.046 567 V CA 1.681 64.113 62.300 0.219 0.000 1.053 567 V CB -0.967 31.024 31.823 0.280 0.000 0.679 567 V HN 0.440 nan 8.190 nan 0.000 0.458 568 N N 0.615 119.438 118.700 0.204 0.000 2.084 568 N HA -0.158 4.583 4.740 0.001 0.000 0.190 568 N C 1.554 177.164 175.510 0.168 0.000 1.030 568 N CA 1.687 54.835 53.050 0.164 0.000 0.849 568 N CB -0.522 38.033 38.487 0.113 0.000 1.012 568 N HN 0.422 nan 8.380 nan 0.000 0.423 569 D N -0.209 120.280 120.400 0.149 0.000 2.104 569 D HA -0.173 4.468 4.640 0.001 0.000 0.194 569 D C 1.856 178.263 176.300 0.178 0.000 0.994 569 D CA 0.792 54.876 54.000 0.141 0.000 0.830 569 D CB -0.530 40.335 40.800 0.108 0.000 0.959 569 D HN 0.329 nan 8.370 nan 0.000 0.452 570 Y N 1.380 121.733 120.300 0.088 0.000 2.097 570 Y HA -0.183 4.368 4.550 0.002 0.000 0.282 570 Y C 2.293 178.241 175.900 0.079 0.000 1.152 570 Y CA 1.330 59.471 58.100 0.069 0.000 1.136 570 Y CB -0.456 38.027 38.460 0.038 0.000 0.975 570 Y HN -0.058 nan 8.280 nan 0.000 0.498 571 L N -0.744 120.574 121.223 0.159 0.000 2.012 571 L HA -0.294 4.047 4.340 0.001 0.000 0.210 571 L C 2.366 179.240 176.870 0.005 0.000 1.073 571 L CA 2.133 57.023 54.840 0.084 0.000 0.748 571 L CB -0.785 41.372 42.059 0.164 0.000 0.891 571 L HN 0.434 nan 8.230 nan 0.000 0.431 572 Y N 0.759 121.038 120.300 -0.036 0.000 2.114 572 Y HA -0.337 4.214 4.550 0.001 0.000 0.282 572 Y C 2.556 178.410 175.900 -0.077 0.000 1.165 572 Y CA 2.630 60.708 58.100 -0.035 0.000 1.148 572 Y CB -0.548 37.906 38.460 -0.010 0.000 0.972 572 Y HN 0.134 nan 8.280 nan 0.000 0.504 573 T N 0.096 114.566 114.554 -0.140 0.000 2.937 573 T HA 0.013 4.363 4.350 0.001 0.000 0.260 573 T C 2.080 176.612 174.700 -0.281 0.000 1.051 573 T CA 0.987 62.954 62.100 -0.223 0.000 1.141 573 T CB -0.598 68.203 68.868 -0.112 0.000 0.879 573 T HN 0.444 nan 8.240 nan 0.000 0.459 574 A N 1.966 124.546 122.820 -0.400 0.000 1.972 574 A HA -0.055 4.266 4.320 0.001 0.000 0.219 574 A C 2.306 179.778 177.584 -0.187 0.000 1.169 574 A CA 1.788 53.600 52.037 -0.373 0.000 0.635 574 A CB -0.614 17.998 19.000 -0.647 0.000 0.810 574 A HN 0.555 nan 8.150 nan 0.000 0.446 575 S N -0.599 115.000 115.700 -0.168 0.000 2.710 575 S HA 0.079 4.549 4.470 0.001 0.000 0.224 575 S C 0.349 174.877 174.600 -0.121 0.000 0.948 575 S CA 0.208 58.348 58.200 -0.101 0.000 0.949 575 S CB -0.588 62.572 63.200 -0.066 0.000 0.778 575 S HN 0.529 nan 8.310 nan 0.000 0.498 576 N N 2.445 121.045 118.700 -0.166 0.000 2.735 576 N HA -0.191 4.549 4.740 0.001 0.000 0.248 576 N C -0.185 175.184 175.510 -0.235 0.000 1.083 576 N CA 1.062 54.015 53.050 -0.162 0.000 0.703 576 N CB -1.349 37.092 38.487 -0.076 0.000 1.005 576 N HN 0.749 nan 8.380 nan 0.000 0.550 577 R N -2.519 117.717 120.500 -0.440 0.000 3.854 577 R HA -0.172 4.169 4.340 0.001 0.000 0.352 577 R C 0.496 176.617 176.300 -0.299 0.000 1.156 577 R CA 0.965 56.648 56.100 -0.696 0.000 0.917 577 R CB -1.760 28.226 30.300 -0.523 0.000 1.471 577 R HN 0.374 nan 8.270 nan 0.000 0.521 578 N N 0.187 118.790 118.700 -0.162 0.000 2.409 578 N HA 0.126 4.867 4.740 0.001 0.000 0.174 578 N C 0.331 175.859 175.510 0.030 0.000 1.037 578 N CA 0.743 53.774 53.050 -0.032 0.000 0.898 578 N CB 0.446 38.928 38.487 -0.008 0.000 1.010 578 N HN 0.186 nan 8.380 nan 0.000 0.445 579 L N 0.531 121.779 121.223 0.041 0.000 2.362 579 L HA 0.324 4.665 4.340 0.001 0.000 0.271 579 L C 0.665 177.656 176.870 0.202 0.000 1.002 579 L CA -0.364 54.538 54.840 0.103 0.000 0.818 579 L CB 2.509 44.618 42.059 0.083 0.000 1.298 579 L HN -0.124 nan 8.230 nan 0.000 0.420 580 E N 0.611 120.924 120.200 0.189 0.000 2.413 580 E HA 0.083 4.434 4.350 0.001 0.000 0.203 580 E C -0.151 176.523 176.600 0.123 0.000 0.957 580 E CA 0.064 56.580 56.400 0.193 0.000 0.950 580 E CB 1.230 30.993 29.700 0.106 0.000 0.957 580 E HN 0.484 nan 8.360 nan 0.000 0.497 581 Q N 0.606 120.468 119.800 0.104 0.000 2.391 581 Q HA 0.466 4.807 4.340 0.001 0.000 0.279 581 Q C -2.127 173.925 176.000 0.085 0.000 1.028 581 Q CA -0.626 55.229 55.803 0.087 0.000 0.836 581 Q CB 2.743 31.515 28.738 0.057 0.000 1.414 581 Q HN 0.000 nan 8.270 nan 0.000 0.397 582 V N 2.932 122.901 119.914 0.091 0.000 2.709 582 V HA 0.622 4.743 4.120 0.001 0.000 0.308 582 V C -1.281 174.850 176.094 0.062 0.000 1.062 582 V CA -0.475 61.870 62.300 0.076 0.000 0.901 582 V CB 1.737 33.610 31.823 0.083 0.000 1.003 582 V HN 1.033 nan 8.190 nan 0.000 0.425 583 C N 6.813 126.131 119.300 0.030 0.000 2.285 583 C HA 0.415 4.876 4.460 0.001 0.000 0.335 583 C C 1.621 176.587 174.990 -0.039 0.000 1.267 583 C CA -0.531 58.482 59.018 -0.009 0.000 1.762 583 C CB 0.228 27.965 27.740 -0.005 0.000 2.365 583 C HN 0.925 nan 8.230 nan 0.000 0.527 584 L N 1.883 123.014 121.223 -0.153 0.000 2.492 584 L HA 0.034 4.375 4.340 0.001 0.000 0.223 584 L C 0.686 177.465 176.870 -0.151 0.000 1.132 584 L CA 1.300 55.987 54.840 -0.255 0.000 0.850 584 L CB -0.195 41.612 42.059 -0.421 0.000 0.966 584 L HN 0.821 nan 8.230 nan 0.000 0.454 585 Y N -1.650 118.722 120.300 0.120 0.000 2.706 585 Y HA 0.265 4.816 4.550 0.002 0.000 0.255 585 Y C 0.660 176.586 175.900 0.044 0.000 1.163 585 Y CA -0.531 57.635 58.100 0.110 0.000 1.174 585 Y CB 1.094 39.617 38.460 0.104 0.000 1.200 585 Y HN -0.096 nan 8.280 nan 0.000 0.544 586 T N -0.177 114.457 114.554 0.134 0.000 2.864 586 T HA 0.323 4.674 4.350 0.001 0.000 0.299 586 T C -0.391 174.328 174.700 0.033 0.000 1.166 586 T CA -0.473 61.661 62.100 0.056 0.000 1.007 586 T CB 1.776 70.667 68.868 0.038 0.000 1.219 586 T HN 0.123 nan 8.240 nan 0.000 0.506 587 L N 2.650 123.868 121.223 -0.008 0.000 2.556 587 L HA 0.467 4.807 4.340 0.001 0.000 0.226 587 L C 1.360 178.217 176.870 -0.022 0.000 1.089 587 L CA 0.914 55.742 54.840 -0.020 0.000 0.864 587 L CB -0.092 41.924 42.059 -0.072 0.000 1.067 587 L HN 0.571 nan 8.230 nan 0.000 0.477 588 M N -0.784 118.805 119.600 -0.018 0.000 2.414 588 M HA 0.321 4.802 4.480 0.001 0.000 0.251 588 M C 0.112 176.414 176.300 0.002 0.000 1.116 588 M CA 0.305 55.593 55.300 -0.019 0.000 1.056 588 M CB -0.268 32.316 32.600 -0.027 0.000 1.388 588 M HN 0.210 nan 8.290 nan 0.000 0.487 589 E N 1.118 121.325 120.200 0.011 0.000 2.274 589 E HA 0.224 4.575 4.350 0.001 0.000 0.269 589 E C -0.685 175.930 176.600 0.024 0.000 0.891 589 E CA -0.246 56.164 56.400 0.016 0.000 0.784 589 E CB 0.852 30.556 29.700 0.008 0.000 1.225 589 E HN 0.125 nan 8.360 nan 0.000 0.412 590 N N 3.178 121.898 118.700 0.033 0.000 2.698 590 N HA -0.131 4.610 4.740 0.001 0.000 0.258 590 N C -2.467 173.071 175.510 0.047 0.000 0.978 590 N CA 0.824 53.899 53.050 0.043 0.000 0.777 590 N CB -0.988 37.523 38.487 0.040 0.000 0.907 590 N HN 0.470 nan 8.380 nan 0.000 0.543 591 P HA -0.012 nan 4.420 nan 0.000 0.272 591 P C 0.773 178.115 177.300 0.070 0.000 1.240 591 P CA -0.348 62.785 63.100 0.056 0.000 0.791 591 P CB 0.780 32.514 31.700 0.057 0.000 0.978 592 M N 1.338 120.981 119.600 0.071 0.000 2.250 592 M HA 0.063 4.544 4.480 0.001 0.000 0.325 592 M C 0.724 177.102 176.300 0.130 0.000 1.084 592 M CA 0.581 55.937 55.300 0.094 0.000 1.161 592 M CB 0.374 33.022 32.600 0.080 0.000 1.481 592 M HN 0.476 nan 8.290 nan 0.000 0.449 593 T N 0.774 115.438 114.554 0.184 0.000 2.884 593 T HA 0.634 4.985 4.350 0.001 0.000 0.277 593 T C -0.301 174.581 174.700 0.303 0.000 0.976 593 T CA -0.960 61.272 62.100 0.221 0.000 0.956 593 T CB 1.361 70.379 68.868 0.249 0.000 1.113 593 T HN 0.657 nan 8.240 nan 0.000 0.554 594 S N -0.958 114.862 115.700 0.201 0.000 2.570 594 S HA 0.492 4.963 4.470 0.001 0.000 0.286 594 S C 1.036 175.531 174.600 -0.174 0.000 1.099 594 S CA -0.685 57.552 58.200 0.062 0.000 0.913 594 S CB 1.244 64.589 63.200 0.241 0.000 1.085 594 S HN 1.108 nan 8.310 nan 0.000 0.480 595 C N 0.274 119.310 119.300 -0.441 0.000 4.332 595 C HA 0.743 5.204 4.460 0.001 0.000 0.287 595 C C 1.688 176.711 174.990 0.055 0.000 1.377 595 C CA 0.835 59.751 59.018 -0.170 0.000 1.723 595 C CB -1.447 26.177 27.740 -0.193 0.000 2.124 595 C HN 0.985 nan 8.230 nan 0.000 0.554 596 G N -1.094 107.665 108.800 -0.068 0.000 4.211 596 G HA2 0.079 4.040 3.960 0.001 0.000 0.192 596 G HA3 0.079 4.040 3.960 0.001 0.000 0.192 596 G C 0.610 174.995 174.900 -0.858 0.000 0.951 596 G CA 0.779 45.559 45.100 -0.534 0.000 0.804 596 G HN 1.006 nan 8.290 nan 0.000 0.489 597 C N 0.908 119.927 119.300 -0.468 0.000 2.754 597 C HA 0.614 5.075 4.460 0.001 0.000 0.276 597 C C 1.199 176.003 174.990 -0.311 0.000 1.264 597 C CA -1.629 57.210 59.018 -0.298 0.000 1.700 597 C CB -2.547 25.131 27.740 -0.104 0.000 1.885 597 C HN 0.361 nan 8.230 nan 0.000 0.607 598 F N 1.524 121.551 119.950 0.128 0.000 2.635 598 F HA 0.203 4.731 4.527 0.001 0.000 0.379 598 F C 1.254 177.156 175.800 0.169 0.000 1.094 598 F CA -0.333 57.752 58.000 0.142 0.000 1.300 598 F CB -0.133 38.954 39.000 0.146 0.000 1.035 598 F HN 0.232 nan 8.300 nan 0.000 0.581 599 E N 1.666 122.035 120.200 0.281 0.000 2.204 599 E HA 0.154 4.504 4.350 0.001 0.000 0.194 599 E C 0.501 177.237 176.600 0.226 0.000 0.989 599 E CA 1.054 57.544 56.400 0.149 0.000 0.824 599 E CB 0.062 29.794 29.700 0.053 0.000 0.756 599 E HN 0.753 nan 8.360 nan 0.000 0.477 600 A N 0.420 123.472 122.820 0.387 0.000 2.609 600 A HA 0.683 5.004 4.320 0.001 0.000 0.291 600 A C -1.452 176.333 177.584 0.336 0.000 1.096 600 A CA -0.688 51.563 52.037 0.357 0.000 0.684 600 A CB 1.379 20.509 19.000 0.217 0.000 1.282 600 A HN 0.059 nan 8.150 nan 0.000 0.412 601 I N 0.854 121.581 120.570 0.263 0.000 2.569 601 I HA 0.364 4.535 4.170 0.001 0.000 0.290 601 I C -0.583 175.620 176.117 0.143 0.000 1.088 601 I CA -0.320 61.033 61.300 0.088 0.000 1.047 601 I CB 2.210 40.162 38.000 -0.079 0.000 1.237 601 I HN 0.649 nan 8.210 nan 0.000 0.421 602 M N 4.967 124.643 119.600 0.127 0.000 2.277 602 M HA 0.750 5.230 4.480 0.001 0.000 0.350 602 M C -0.263 176.059 176.300 0.037 0.000 1.180 602 M CA -0.413 54.960 55.300 0.121 0.000 1.103 602 M CB 1.814 34.492 32.600 0.130 0.000 1.577 602 M HN 0.674 nan 8.290 nan 0.000 0.459 603 A N 2.884 125.692 122.820 -0.019 0.000 2.427 603 A HA 0.735 5.055 4.320 0.001 0.000 0.298 603 A C -0.604 176.805 177.584 -0.291 0.000 1.036 603 A CA -0.917 50.995 52.037 -0.208 0.000 0.701 603 A CB 0.745 19.784 19.000 0.065 0.000 1.250 603 A HN 0.836 nan 8.150 nan 0.000 0.412 604 I N 0.080 120.314 120.570 -0.560 0.000 2.892 604 I HA 0.310 4.481 4.170 0.001 0.000 0.287 604 I C -0.101 175.894 176.117 -0.204 0.000 1.205 604 I CA 0.339 61.441 61.300 -0.330 0.000 1.409 604 I CB 0.048 37.844 38.000 -0.339 0.000 1.367 604 I HN 0.445 nan 8.210 nan 0.000 0.597 605 L N 5.264 126.421 121.223 -0.109 0.000 2.470 605 L HA 0.312 4.653 4.340 0.001 0.000 0.253 605 L C -1.833 175.009 176.870 -0.047 0.000 1.163 605 L CA -1.192 53.609 54.840 -0.065 0.000 0.932 605 L CB 1.302 43.332 42.059 -0.049 0.000 1.213 605 L HN 0.463 nan 8.230 nan 0.000 0.485 606 P HA -0.207 nan 4.420 nan 0.000 0.216 606 P C 1.284 178.575 177.300 -0.016 0.000 1.150 606 P CA 1.076 64.159 63.100 -0.028 0.000 0.837 606 P CB 0.389 32.077 31.700 -0.020 0.000 0.786 607 E N -1.368 118.824 120.200 -0.014 0.000 2.333 607 E HA -0.165 4.186 4.350 0.001 0.000 0.198 607 E C 0.528 177.125 176.600 -0.004 0.000 1.007 607 E CA 0.770 57.166 56.400 -0.007 0.000 0.845 607 E CB -0.197 29.498 29.700 -0.007 0.000 0.766 607 E HN 0.207 nan 8.360 nan 0.000 0.507 608 C N 0.500 119.794 119.300 -0.011 0.000 3.038 608 C HA 0.221 4.682 4.460 0.001 0.000 0.279 608 C C 0.731 175.716 174.990 -0.010 0.000 1.276 608 C CA -0.348 58.662 59.018 -0.013 0.000 1.697 608 C CB -1.263 26.461 27.740 -0.026 0.000 2.032 608 C HN 0.519 nan 8.230 nan 0.000 0.636 609 N N 0.686 119.384 118.700 -0.003 0.000 2.696 609 N HA -0.139 4.602 4.740 0.001 0.000 0.249 609 N C 0.006 175.523 175.510 0.011 0.000 1.090 609 N CA 1.165 54.218 53.050 0.005 0.000 0.716 609 N CB -0.909 37.590 38.487 0.020 0.000 1.020 609 N HN 0.730 nan 8.380 nan 0.000 0.548 610 G N -1.340 107.458 108.800 -0.003 0.000 2.753 610 G HA2 0.657 4.618 3.960 0.001 0.000 0.303 610 G HA3 0.657 4.618 3.960 0.001 0.000 0.303 610 G C -0.851 174.050 174.900 0.002 0.000 1.242 610 G CA -0.302 44.807 45.100 0.016 0.000 0.810 610 G HN 0.601 nan 8.290 nan 0.000 0.515 611 I N -1.904 118.693 120.570 0.046 0.000 2.785 611 I HA 0.834 5.005 4.170 0.001 0.000 0.302 611 I C -0.245 175.940 176.117 0.112 0.000 1.069 611 I CA -1.396 59.932 61.300 0.047 0.000 1.045 611 I CB 2.362 40.395 38.000 0.056 0.000 1.236 611 I HN 0.739 nan 8.210 nan 0.000 0.429 612 M N 3.859 123.525 119.600 0.109 0.000 2.654 612 M HA 0.751 5.232 4.480 0.001 0.000 0.310 612 M C -1.224 175.216 176.300 0.233 0.000 1.211 612 M CA -0.559 54.872 55.300 0.218 0.000 0.947 612 M CB 2.139 34.831 32.600 0.154 0.000 1.647 612 M HN 0.529 nan 8.290 nan 0.000 0.481 613 I N -0.121 120.639 120.570 0.316 0.000 2.647 613 I HA 0.627 4.798 4.170 0.001 0.000 0.295 613 I C -0.611 175.705 176.117 0.332 0.000 1.078 613 I CA -0.591 60.869 61.300 0.266 0.000 1.048 613 I CB 2.501 40.620 38.000 0.198 0.000 1.239 613 I HN 0.868 nan 8.210 nan 0.000 0.421 614 T N 2.439 117.179 114.554 0.309 0.000 2.865 614 T HA 0.736 5.087 4.350 0.001 0.000 0.294 614 T C -0.735 174.160 174.700 0.324 0.000 1.119 614 T CA -0.309 62.001 62.100 0.350 0.000 1.007 614 T CB 1.927 71.070 68.868 0.459 0.000 1.225 614 T HN 0.830 nan 8.240 nan 0.000 0.515 615 T N -0.542 114.154 114.554 0.237 0.000 2.916 615 T HA 0.472 4.823 4.350 0.001 0.000 0.292 615 T C 1.031 175.469 174.700 -0.436 0.000 1.064 615 T CA -0.874 61.241 62.100 0.026 0.000 1.011 615 T CB 1.744 70.566 68.868 -0.076 0.000 1.152 615 T HN 0.637 nan 8.240 nan 0.000 0.510 616 R N 0.059 120.022 120.500 -0.895 0.000 2.096 616 R HA -0.100 4.241 4.340 0.001 0.000 0.235 616 R C 0.853 176.719 176.300 -0.722 0.000 1.127 616 R CA 1.893 57.069 56.100 -1.540 0.000 0.968 616 R CB -0.402 29.363 30.300 -0.893 0.000 0.861 616 R HN 0.661 nan 8.270 nan 0.000 0.440 617 D N -0.796 119.374 120.400 -0.384 0.000 2.355 617 D HA -0.071 4.569 4.640 0.001 0.000 0.218 617 D C -0.257 175.996 176.300 -0.080 0.000 1.004 617 D CA 0.638 54.516 54.000 -0.202 0.000 0.880 617 D CB -0.092 40.618 40.800 -0.150 0.000 0.911 617 D HN 0.296 nan 8.370 nan 0.000 0.528 618 H N 0.243 119.227 119.070 -0.142 0.000 2.705 618 H HA 0.451 5.007 4.556 0.001 0.000 0.291 618 H C 0.818 176.172 175.328 0.043 0.000 1.085 618 H CA -0.443 55.595 56.048 -0.017 0.000 1.357 618 H CB 1.058 30.847 29.762 0.045 0.000 1.419 618 H HN -0.110 nan 8.280 nan 0.000 0.462 619 A N 3.849 126.479 122.820 -0.317 0.000 2.119 619 A HA 0.174 4.494 4.320 0.001 0.000 0.216 619 A C 1.555 179.014 177.584 -0.208 0.000 1.152 619 A CA 0.514 52.445 52.037 -0.176 0.000 0.708 619 A CB -0.405 18.538 19.000 -0.096 0.000 0.805 619 A HN 0.757 nan 8.150 nan 0.000 0.460 620 G N -0.796 107.694 108.800 -0.516 0.000 2.594 620 G HA2 0.388 4.349 3.960 0.001 0.000 0.243 620 G HA3 0.388 4.349 3.960 0.001 0.000 0.243 620 G C 0.081 175.005 174.900 0.039 0.000 1.229 620 G CA -0.272 44.719 45.100 -0.182 0.000 0.843 620 G HN 0.271 nan 8.290 nan 0.000 0.578 621 M N 1.267 120.889 119.600 0.036 0.000 2.252 621 M HA 0.328 4.809 4.480 0.001 0.000 0.333 621 M C 0.828 177.093 176.300 -0.058 0.000 1.111 621 M CA -0.125 55.170 55.300 -0.007 0.000 1.140 621 M CB 0.404 32.986 32.600 -0.030 0.000 1.538 621 M HN 0.710 nan 8.290 nan 0.000 0.448 622 T N 1.997 116.418 114.554 -0.222 0.000 2.930 622 T HA 0.696 5.047 4.350 0.001 0.000 0.290 622 T C -2.403 171.960 174.700 -0.561 0.000 1.052 622 T CA -1.674 60.038 62.100 -0.647 0.000 1.017 622 T CB 1.468 70.019 68.868 -0.529 0.000 1.137 622 T HN 0.538 nan 8.240 nan 0.000 0.511 623 P HA -0.018 nan 4.420 nan 0.000 0.228 623 P C 1.565 178.718 177.300 -0.244 0.000 1.151 623 P CA 0.778 63.615 63.100 -0.437 0.000 0.770 623 P CB -0.153 31.270 31.700 -0.462 0.000 0.786 624 S N -1.475 114.099 115.700 -0.209 0.000 2.500 624 S HA 0.054 4.524 4.470 0.001 0.000 0.239 624 S C 1.812 176.369 174.600 -0.072 0.000 0.989 624 S CA 0.885 59.039 58.200 -0.075 0.000 0.951 624 S CB -1.497 61.710 63.200 0.012 0.000 0.759 624 S HN 0.298 nan 8.310 nan 0.000 0.523 625 G N 0.340 109.071 108.800 -0.116 0.000 2.176 625 G HA2 -0.239 3.721 3.960 0.001 0.000 0.253 625 G HA3 -0.239 3.721 3.960 0.001 0.000 0.253 625 G C -0.092 174.751 174.900 -0.095 0.000 0.979 625 G CA 0.360 45.403 45.100 -0.095 0.000 0.641 625 G HN 0.542 nan 8.290 nan 0.000 0.530 626 M N 1.506 121.046 119.600 -0.099 0.000 2.465 626 M HA 0.498 4.979 4.480 0.001 0.000 0.316 626 M C 0.910 177.167 176.300 -0.072 0.000 1.121 626 M CA -0.306 54.935 55.300 -0.099 0.000 0.934 626 M CB 2.093 34.623 32.600 -0.117 0.000 1.692 626 M HN 0.335 nan 8.290 nan 0.000 0.444 627 T N -1.160 113.362 114.554 -0.053 0.000 2.726 627 T HA 0.146 4.497 4.350 0.001 0.000 0.294 627 T C 0.852 175.582 174.700 0.049 0.000 1.013 627 T CA -0.321 61.792 62.100 0.022 0.000 0.996 627 T CB 0.505 69.389 68.868 0.027 0.000 1.016 627 T HN 0.604 nan 8.240 nan 0.000 0.529 628 F N 1.188 121.161 119.950 0.038 0.000 2.087 628 F HA -0.170 4.358 4.527 0.002 0.000 0.299 628 F C 2.627 178.444 175.800 0.029 0.000 1.100 628 F CA 2.349 60.385 58.000 0.061 0.000 1.226 628 F CB -0.922 38.139 39.000 0.101 0.000 0.983 628 F HN 0.596 nan 8.300 nan 0.000 0.479 629 S N -0.330 115.405 115.700 0.058 0.000 2.359 629 S HA -0.213 4.258 4.470 0.001 0.000 0.224 629 S C 1.940 176.400 174.600 -0.233 0.000 1.035 629 S CA 1.912 60.073 58.200 -0.064 0.000 1.018 629 S CB -0.749 62.478 63.200 0.046 0.000 0.876 629 S HN 0.542 nan 8.310 nan 0.000 0.448 630 T N 2.548 116.971 114.554 -0.218 0.000 2.746 630 T HA -0.005 4.345 4.350 0.001 0.000 0.267 630 T C 1.713 176.238 174.700 -0.291 0.000 1.039 630 T CA 0.784 62.718 62.100 -0.276 0.000 1.142 630 T CB -0.348 68.383 68.868 -0.228 0.000 0.866 630 T HN 0.076 nan 8.240 nan 0.000 0.444 631 L N 1.457 122.514 121.223 -0.277 0.000 2.017 631 L HA 0.035 4.376 4.340 0.001 0.000 0.208 631 L C 2.825 179.472 176.870 -0.370 0.000 1.073 631 L CA 1.735 56.399 54.840 -0.293 0.000 0.745 631 L CB -1.599 40.321 42.059 -0.230 0.000 0.894 631 L HN 0.266 nan 8.230 nan 0.000 0.432 632 A N -0.665 121.867 122.820 -0.480 0.000 1.917 632 A HA -0.187 4.134 4.320 0.001 0.000 0.219 632 A C 2.394 179.895 177.584 -0.139 0.000 1.182 632 A CA 1.855 53.697 52.037 -0.325 0.000 0.633 632 A CB -1.355 17.461 19.000 -0.306 0.000 0.819 632 A HN 0.478 nan 8.150 nan 0.000 0.448 633 G N -0.797 107.876 108.800 -0.212 0.000 2.422 633 G HA2 -0.247 3.714 3.960 0.001 0.000 0.218 633 G HA3 -0.247 3.714 3.960 0.001 0.000 0.218 633 G C 1.634 176.435 174.900 -0.166 0.000 1.146 633 G CA 1.265 46.244 45.100 -0.202 0.000 0.769 633 G HN 0.572 nan 8.290 nan 0.000 0.547 634 M N 0.676 120.142 119.600 -0.224 0.000 2.200 634 M HA 0.092 4.573 4.480 0.001 0.000 0.265 634 M C 2.341 178.531 176.300 -0.183 0.000 1.066 634 M CA 1.478 56.641 55.300 -0.228 0.000 1.127 634 M CB -0.101 32.295 32.600 -0.340 0.000 1.379 634 M HN 0.339 nan 8.290 nan 0.000 0.420 635 I N -1.945 118.511 120.570 -0.190 0.000 3.603 635 I HA 0.403 4.574 4.170 0.001 0.000 0.297 635 I C 1.050 177.137 176.117 -0.049 0.000 1.269 635 I CA -0.129 61.079 61.300 -0.152 0.000 1.361 635 I CB -0.657 37.186 38.000 -0.261 0.000 1.063 635 I HN 0.113 nan 8.210 nan 0.000 0.448 636 G N 0.223 109.036 108.800 0.021 0.000 2.557 636 G HA2 0.422 4.383 3.960 0.001 0.000 0.292 636 G HA3 0.422 4.383 3.960 0.001 0.000 0.292 636 G C 0.834 175.781 174.900 0.078 0.000 1.237 636 G CA -0.225 44.958 45.100 0.138 0.000 0.978 636 G HN 0.706 nan 8.290 nan 0.000 0.498 637 G N -2.127 106.724 108.800 0.085 0.000 2.168 637 G HA2 0.222 4.183 3.960 0.001 0.000 0.257 637 G HA3 0.222 4.183 3.960 0.001 0.000 0.257 637 G C 1.391 176.356 174.900 0.108 0.000 0.997 637 G CA 1.153 46.305 45.100 0.086 0.000 0.708 637 G HN 2.564 nan 8.290 nan 0.000 0.520 638 G N -2.149 106.731 108.800 0.132 0.000 2.157 638 G HA2 0.094 4.055 3.960 0.001 0.000 0.239 638 G HA3 0.094 4.055 3.960 0.001 0.000 0.239 638 G C 0.631 175.605 174.900 0.123 0.000 0.982 638 G CA 1.143 46.344 45.100 0.169 0.000 0.650 638 G HN 2.353 nan 8.290 nan 0.000 0.527 639 T N -1.497 113.110 114.554 0.088 0.000 2.909 639 T HA 0.622 4.973 4.350 0.001 0.000 0.289 639 T C 0.118 174.863 174.700 0.074 0.000 1.005 639 T CA -0.258 61.884 62.100 0.069 0.000 1.084 639 T CB 2.260 71.152 68.868 0.041 0.000 0.975 639 T HN 0.328 nan 8.240 nan 0.000 0.509 640 Q N 1.403 121.245 119.800 0.071 0.000 2.296 640 Q HA 0.387 4.728 4.340 0.001 0.000 0.262 640 Q C -0.125 175.915 176.000 0.067 0.000 0.981 640 Q CA -0.276 55.571 55.803 0.074 0.000 0.905 640 Q CB 0.676 29.456 28.738 0.071 0.000 1.186 640 Q HN 0.913 nan 8.270 nan 0.000 0.399 641 T N 1.464 116.068 114.554 0.083 0.000 3.241 641 T HA 0.417 4.768 4.350 0.001 0.000 0.387 641 T C -2.609 172.198 174.700 0.178 0.000 1.451 641 T CA -2.194 59.975 62.100 0.114 0.000 1.363 641 T CB 0.768 69.690 68.868 0.090 0.000 1.074 641 T HN 0.306 nan 8.240 nan 0.000 0.598 642 P HA 0.261 nan 4.420 nan 0.000 0.260 642 P C 1.285 178.645 177.300 0.101 0.000 1.172 642 P CA 1.391 64.549 63.100 0.096 0.000 0.760 642 P CB 0.126 31.867 31.700 0.068 0.000 0.773 643 G N 1.596 110.357 108.800 -0.066 0.000 2.194 643 G HA2 -0.205 3.756 3.960 0.001 0.000 0.236 643 G HA3 -0.205 3.756 3.960 0.001 0.000 0.236 643 G C -0.218 174.203 174.900 -0.797 0.000 0.987 643 G CA -0.572 44.274 45.100 -0.425 0.000 0.635 643 G HN 0.426 nan 8.290 nan 0.000 0.520 644 F N -0.332 119.601 119.950 -0.028 0.000 2.607 644 F HA 0.797 5.325 4.527 0.001 0.000 0.322 644 F C -0.032 175.732 175.800 -0.061 0.000 1.176 644 F CA -0.745 57.222 58.000 -0.055 0.000 0.977 644 F CB 2.171 41.120 39.000 -0.084 0.000 1.242 644 F HN 0.136 nan 8.300 nan 0.000 0.465 645 M N 1.958 121.596 119.600 0.063 0.000 2.413 645 M HA 0.714 5.195 4.480 0.001 0.000 0.287 645 M C -0.943 175.337 176.300 -0.033 0.000 1.186 645 M CA -0.374 54.943 55.300 0.029 0.000 0.927 645 M CB 2.313 34.958 32.600 0.075 0.000 1.715 645 M HN 0.721 nan 8.290 nan 0.000 0.478 646 G N 4.402 113.141 108.800 -0.102 0.000 2.356 646 G HA2 0.697 4.658 3.960 0.001 0.000 0.298 646 G HA3 0.697 4.658 3.960 0.001 0.000 0.298 646 G C -0.996 174.005 174.900 0.168 0.000 1.145 646 G CA -0.631 44.401 45.100 -0.112 0.000 0.850 646 G HN 0.930 nan 8.290 nan 0.000 0.487 647 I N -0.777 119.950 120.570 0.261 0.000 3.006 647 I HA 0.778 4.949 4.170 0.001 0.000 0.306 647 I C 0.306 176.600 176.117 0.295 0.000 1.250 647 I CA -1.426 60.052 61.300 0.297 0.000 0.996 647 I CB 2.052 40.319 38.000 0.445 0.000 1.261 647 I HN 0.629 nan 8.210 nan 0.000 0.442 648 G N 2.315 111.271 108.800 0.259 0.000 2.467 648 G HA2 0.320 4.281 3.960 0.001 0.000 0.257 648 G HA3 0.320 4.281 3.960 0.001 0.000 0.257 648 G C 0.338 175.391 174.900 0.256 0.000 1.227 648 G CA -0.630 44.605 45.100 0.224 0.000 0.835 648 G HN 0.839 nan 8.290 nan 0.000 0.556 649 R N -0.149 120.464 120.500 0.189 0.000 2.105 649 R HA -0.139 4.202 4.340 0.001 0.000 0.239 649 R C 2.915 179.356 176.300 0.235 0.000 1.135 649 R CA 1.930 58.141 56.100 0.185 0.000 0.967 649 R CB -0.377 29.980 30.300 0.095 0.000 0.861 649 R HN 0.714 nan 8.270 nan 0.000 0.442 650 T N -1.910 112.801 114.554 0.260 0.000 2.977 650 T HA -0.200 4.151 4.350 0.001 0.000 0.271 650 T C 1.669 176.504 174.700 0.225 0.000 1.105 650 T CA 0.857 63.088 62.100 0.218 0.000 1.116 650 T CB -0.371 68.613 68.868 0.194 0.000 0.878 650 T HN 0.274 nan 8.240 nan 0.000 0.509 651 Y N 2.081 122.464 120.300 0.138 0.000 2.333 651 Y HA 0.082 4.633 4.550 0.002 0.000 0.290 651 Y C 1.827 177.792 175.900 0.109 0.000 1.144 651 Y CA -0.032 58.177 58.100 0.182 0.000 1.228 651 Y CB -0.622 37.996 38.460 0.264 0.000 0.985 651 Y HN 0.290 nan 8.280 nan 0.000 0.542 652 I N -0.241 120.217 120.570 -0.187 0.000 2.454 652 I HA -0.223 3.948 4.170 0.001 0.000 0.254 652 I C 1.738 177.532 176.117 -0.538 0.000 1.156 652 I CA 1.474 62.295 61.300 -0.797 0.000 1.433 652 I CB -0.323 37.428 38.000 -0.415 0.000 1.082 652 I HN 0.205 nan 8.210 nan 0.000 0.432 653 V N -3.117 116.686 119.914 -0.186 0.000 3.342 653 V HA 0.234 4.355 4.120 0.001 0.000 0.322 653 V C 0.734 176.784 176.094 -0.074 0.000 1.370 653 V CA -0.484 61.740 62.300 -0.127 0.000 1.170 653 V CB -0.423 31.377 31.823 -0.039 0.000 1.101 653 V HN 0.225 nan 8.190 nan 0.000 0.442 654 S N 0.602 116.282 115.700 -0.034 0.000 2.565 654 S HA 0.319 4.790 4.470 0.001 0.000 0.274 654 S C 1.122 175.731 174.600 0.016 0.000 1.309 654 S CA -0.295 57.935 58.200 0.049 0.000 1.043 654 S CB 1.346 64.673 63.200 0.213 0.000 0.939 654 S HN 0.552 nan 8.310 nan 0.000 0.504 655 K N 2.293 122.695 120.400 0.004 0.000 2.152 655 K HA -0.037 4.284 4.320 0.001 0.000 0.206 655 K C 1.321 177.904 176.600 -0.028 0.000 1.048 655 K CA 1.078 57.349 56.287 -0.026 0.000 0.933 655 K CB 0.015 32.490 32.500 -0.042 0.000 0.721 655 K HN 0.425 nan 8.250 nan 0.000 0.447 656 K N 0.489 120.897 120.400 0.013 0.000 2.487 656 K HA 0.006 4.327 4.320 0.001 0.000 0.192 656 K C 0.098 176.765 176.600 0.112 0.000 1.027 656 K CA -0.058 56.219 56.287 -0.016 0.000 1.054 656 K CB -0.353 32.167 32.500 0.034 0.000 0.824 656 K HN 0.132 nan 8.250 nan 0.000 0.510 657 F N 3.491 123.330 119.950 -0.186 0.000 2.474 657 F HA -0.089 4.439 4.527 0.001 0.000 0.375 657 F C 1.052 176.750 175.800 -0.170 0.000 1.090 657 F CA -0.195 57.507 58.000 -0.498 0.000 1.044 657 F CB -0.599 38.092 39.000 -0.514 0.000 1.018 657 F HN 0.204 nan 8.300 nan 0.000 0.560 658 I N 3.270 123.573 120.570 -0.444 0.000 3.859 658 I HA -0.410 3.761 4.170 0.001 0.000 0.126 658 I C 1.168 177.197 176.117 -0.146 0.000 1.065 658 I CA 0.815 61.960 61.300 -0.259 0.000 2.735 658 I CB -2.036 35.681 38.000 -0.472 0.000 1.465 658 I HN 0.602 nan 8.210 nan 0.000 0.341 659 S N 1.855 117.526 115.700 -0.048 0.000 2.419 659 S HA -0.018 4.452 4.470 0.001 0.000 0.233 659 S C 2.012 176.595 174.600 -0.028 0.000 1.016 659 S CA 0.666 58.826 58.200 -0.066 0.000 0.974 659 S CB -0.126 62.992 63.200 -0.136 0.000 0.786 659 S HN 0.977 nan 8.310 nan 0.000 0.492 660 A N 1.736 124.576 122.820 0.035 0.000 2.121 660 A HA -0.013 4.308 4.320 0.001 0.000 0.218 660 A C 1.512 179.095 177.584 -0.001 0.000 1.154 660 A CA 1.284 53.341 52.037 0.035 0.000 0.679 660 A CB -0.320 18.729 19.000 0.081 0.000 0.795 660 A HN 0.504 nan 8.150 nan 0.000 0.458 661 D N -1.889 118.494 120.400 -0.028 0.000 2.369 661 D HA 0.300 4.940 4.640 0.001 0.000 0.211 661 D C 1.248 177.526 176.300 -0.037 0.000 1.077 661 D CA 1.034 55.009 54.000 -0.040 0.000 0.842 661 D CB 0.604 41.364 40.800 -0.066 0.000 0.947 661 D HN 0.542 nan 8.370 nan 0.000 0.509 662 G N -0.015 108.762 108.800 -0.037 0.000 2.205 662 G HA2 -0.017 3.944 3.960 0.001 0.000 0.180 662 G HA3 -0.017 3.944 3.960 0.001 0.000 0.180 662 G C 0.874 175.766 174.900 -0.014 0.000 1.004 662 G CA 0.102 45.188 45.100 -0.022 0.000 0.670 662 G HN 0.703 nan 8.290 nan 0.000 0.496 663 G N 0.386 109.167 108.800 -0.031 0.000 2.575 663 G HA2 -0.139 3.822 3.960 0.001 0.000 0.267 663 G HA3 -0.139 3.822 3.960 0.001 0.000 0.267 663 G C 1.300 176.326 174.900 0.209 0.000 1.264 663 G CA 1.326 46.450 45.100 0.039 0.000 0.935 663 G HN 1.738 nan 8.290 nan 0.000 0.568 664 I N -1.640 119.102 120.570 0.286 0.000 2.567 664 I HA 0.180 4.351 4.170 0.001 0.000 0.257 664 I C 2.678 179.024 176.117 0.381 0.000 1.184 664 I CA 2.277 63.797 61.300 0.365 0.000 1.451 664 I CB -0.690 37.365 38.000 0.092 0.000 1.089 664 I HN 0.931 nan 8.210 nan 0.000 0.441 665 A N 1.618 124.492 122.820 0.091 0.000 2.125 665 A HA -0.094 4.227 4.320 0.001 0.000 0.219 665 A C 2.251 180.048 177.584 0.355 0.000 1.156 665 A CA 1.019 53.050 52.037 -0.011 0.000 0.671 665 A CB -0.519 18.362 19.000 -0.198 0.000 0.794 665 A HN 0.399 nan 8.150 nan 0.000 0.459 666 R N -0.241 120.443 120.500 0.306 0.000 2.276 666 R HA 0.122 4.463 4.340 0.001 0.000 0.203 666 R C 0.172 176.668 176.300 0.326 0.000 1.017 666 R CA 0.179 56.444 56.100 0.276 0.000 1.010 666 R CB -0.618 29.770 30.300 0.146 0.000 0.900 666 R HN 0.550 nan 8.270 nan 0.000 0.469 667 I N 2.368 123.220 120.570 0.471 0.000 2.494 667 I HA -0.066 4.105 4.170 0.001 0.000 0.289 667 I C 1.645 177.954 176.117 0.321 0.000 1.106 667 I CA -0.017 61.515 61.300 0.386 0.000 1.369 667 I CB 0.937 39.181 38.000 0.407 0.000 1.410 667 I HN -0.154 nan 8.210 nan 0.000 0.523 668 V N 3.253 123.241 119.914 0.123 0.000 3.644 668 V HA 0.285 4.406 4.120 0.001 0.000 0.267 668 V C -0.096 176.088 176.094 0.150 0.000 1.277 668 V CA -0.154 62.125 62.300 -0.035 0.000 1.096 668 V CB -0.323 31.394 31.823 -0.177 0.000 0.828 668 V HN 0.809 nan 8.190 nan 0.000 0.446 669 W N 0.148 121.427 121.300 -0.035 0.000 3.624 669 W HA 0.745 5.406 4.660 0.001 0.000 0.312 669 W C -1.395 175.082 176.519 -0.071 0.000 1.203 669 W CA -0.618 56.690 57.345 -0.061 0.000 1.225 669 W CB 1.710 31.139 29.460 -0.053 0.000 1.321 669 W HN -0.042 nan 8.180 nan 0.000 0.506 670 M N 6.287 125.548 119.600 -0.564 0.000 2.470 670 M HA 0.349 4.830 4.480 0.001 0.000 0.285 670 M C -2.491 173.136 176.300 -1.120 0.000 1.213 670 M CA -1.806 53.156 55.300 -0.565 0.000 0.901 670 M CB 3.007 35.377 32.600 -0.382 0.000 1.718 670 M HN 0.044 nan 8.290 nan 0.000 0.469 671 P HA 0.111 nan 4.420 nan 0.000 0.272 671 P C -0.269 176.684 177.300 -0.578 0.000 1.223 671 P CA -0.133 62.398 63.100 -0.948 0.000 0.784 671 P CB 0.602 31.767 31.700 -0.891 0.000 0.923 672 K N 1.959 122.087 120.400 -0.452 0.000 2.152 672 K HA -0.172 4.149 4.320 0.001 0.000 0.206 672 K C 1.706 178.197 176.600 -0.183 0.000 1.048 672 K CA 2.174 58.292 56.287 -0.281 0.000 0.933 672 K CB -0.531 31.846 32.500 -0.205 0.000 0.721 672 K HN 0.449 nan 8.250 nan 0.000 0.447 673 S N 0.691 116.300 115.700 -0.152 0.000 2.399 673 S HA -0.150 4.321 4.470 0.001 0.000 0.231 673 S C 1.987 176.559 174.600 -0.047 0.000 1.022 673 S CA 0.939 59.099 58.200 -0.068 0.000 0.983 673 S CB -0.482 62.698 63.200 -0.032 0.000 0.803 673 S HN 0.403 nan 8.310 nan 0.000 0.480 674 L N 0.907 122.057 121.223 -0.121 0.000 2.072 674 L HA -0.014 4.327 4.340 0.001 0.000 0.205 674 L C 2.616 179.444 176.870 -0.070 0.000 1.079 674 L CA 1.402 56.198 54.840 -0.073 0.000 0.752 674 L CB -0.378 41.593 42.059 -0.147 0.000 0.906 674 L HN 0.338 nan 8.230 nan 0.000 0.436 675 K N -0.099 120.185 120.400 -0.194 0.000 2.044 675 K HA -0.235 4.086 4.320 0.001 0.000 0.210 675 K C 1.640 178.207 176.600 -0.055 0.000 1.049 675 K CA 2.032 58.185 56.287 -0.223 0.000 0.927 675 K CB -0.183 32.169 32.500 -0.247 0.000 0.713 675 K HN 0.374 nan 8.250 nan 0.000 0.443 676 D N 0.283 120.671 120.400 -0.019 0.000 2.097 676 D HA -0.154 4.486 4.640 0.001 0.000 0.197 676 D C 1.693 178.041 176.300 0.080 0.000 0.984 676 D CA 0.835 54.850 54.000 0.025 0.000 0.826 676 D CB -0.429 40.373 40.800 0.003 0.000 0.973 676 D HN 0.067 nan 8.370 nan 0.000 0.460 677 F N 1.094 121.024 119.950 -0.034 0.000 2.154 677 F HA -0.157 4.371 4.527 0.001 0.000 0.301 677 F C 1.953 177.756 175.800 0.005 0.000 1.087 677 F CA 1.300 59.291 58.000 -0.015 0.000 1.274 677 F CB -0.043 38.940 39.000 -0.029 0.000 1.009 677 F HN -0.086 nan 8.300 nan 0.000 0.485 678 L N -1.371 119.881 121.223 0.048 0.000 2.585 678 L HA 0.000 4.341 4.340 0.001 0.000 0.226 678 L C 2.033 178.923 176.870 0.033 0.000 1.113 678 L CA 0.340 55.183 54.840 0.005 0.000 0.876 678 L CB -0.758 41.349 42.059 0.079 0.000 1.072 678 L HN 0.173 nan 8.230 nan 0.000 0.468 679 H N 1.113 120.155 119.070 -0.046 0.000 2.265 679 H HA -0.264 4.293 4.556 0.001 0.000 0.293 679 H C 1.741 177.096 175.328 0.045 0.000 1.089 679 H CA 2.558 58.600 56.048 -0.009 0.000 1.244 679 H CB 0.236 29.975 29.762 -0.038 0.000 1.355 679 H HN 0.197 nan 8.280 nan 0.000 0.485 680 D N -0.151 120.278 120.400 0.049 0.000 2.097 680 D HA -0.107 4.534 4.640 0.001 0.000 0.197 680 D C 2.195 178.466 176.300 -0.047 0.000 0.984 680 D CA 1.514 55.521 54.000 0.011 0.000 0.826 680 D CB -0.274 40.554 40.800 0.047 0.000 0.973 680 D HN 0.600 nan 8.370 nan 0.000 0.460 681 E N -0.736 119.445 120.200 -0.030 0.000 2.208 681 E HA -0.083 4.268 4.350 0.001 0.000 0.193 681 E C 1.721 178.298 176.600 -0.038 0.000 0.988 681 E CA 0.153 56.530 56.400 -0.038 0.000 0.828 681 E CB -0.086 29.590 29.700 -0.040 0.000 0.763 681 E HN 0.217 nan 8.360 nan 0.000 0.478 682 F N 0.493 120.361 119.950 -0.138 0.000 2.146 682 F HA -0.195 4.333 4.527 0.001 0.000 0.298 682 F C 2.028 177.756 175.800 -0.121 0.000 1.096 682 F CA 0.925 58.849 58.000 -0.125 0.000 1.275 682 F CB -0.035 38.884 39.000 -0.136 0.000 1.008 682 F HN -0.180 nan 8.300 nan 0.000 0.480 683 V N 1.035 120.947 119.914 -0.003 0.000 2.332 683 V HA -0.331 3.790 4.120 0.001 0.000 0.248 683 V C 2.570 178.610 176.094 -0.090 0.000 1.055 683 V CA 2.319 64.575 62.300 -0.074 0.000 1.038 683 V CB -0.795 30.907 31.823 -0.201 0.000 0.651 683 V HN 0.324 nan 8.190 nan 0.000 0.450 684 R N -0.129 120.313 120.500 -0.097 0.000 2.073 684 R HA -0.163 4.178 4.340 0.001 0.000 0.234 684 R C 2.538 178.763 176.300 -0.125 0.000 1.134 684 R CA 1.415 57.461 56.100 -0.090 0.000 0.952 684 R CB -0.187 30.070 30.300 -0.071 0.000 0.850 684 R HN 0.324 nan 8.270 nan 0.000 0.433 685 R N 0.196 120.583 120.500 -0.187 0.000 2.120 685 R HA -0.031 4.310 4.340 0.001 0.000 0.234 685 R C 2.293 178.439 176.300 -0.256 0.000 1.123 685 R CA 1.423 57.379 56.100 -0.239 0.000 0.975 685 R CB -0.465 29.633 30.300 -0.337 0.000 0.866 685 R HN 0.259 nan 8.270 nan 0.000 0.446 686 S N 0.583 116.127 115.700 -0.260 0.000 2.368 686 S HA -0.083 4.387 4.470 0.001 0.000 0.225 686 S C 2.214 176.732 174.600 -0.137 0.000 1.030 686 S CA 1.224 59.320 58.200 -0.175 0.000 0.999 686 S CB -0.241 62.971 63.200 0.020 0.000 0.844 686 S HN 0.039 nan 8.310 nan 0.000 0.459 687 V N 2.281 122.135 119.914 -0.099 0.000 2.255 687 V HA -0.233 3.888 4.120 0.001 0.000 0.247 687 V C 2.315 178.354 176.094 -0.093 0.000 1.051 687 V CA 1.882 64.134 62.300 -0.080 0.000 1.018 687 V CB -0.852 30.936 31.823 -0.058 0.000 0.641 687 V HN 0.517 nan 8.190 nan 0.000 0.445 688 E N -0.165 119.975 120.200 -0.100 0.000 2.130 688 E HA -0.241 4.110 4.350 0.001 0.000 0.196 688 E C 1.983 178.518 176.600 -0.107 0.000 0.998 688 E CA 1.303 57.646 56.400 -0.095 0.000 0.806 688 E CB -0.155 29.488 29.700 -0.095 0.000 0.738 688 E HN 0.575 nan 8.360 nan 0.000 0.459 689 E N -0.572 119.544 120.200 -0.141 0.000 2.489 689 E HA 0.023 4.374 4.350 0.001 0.000 0.193 689 E C 1.043 177.547 176.600 -0.160 0.000 1.057 689 E CA 0.594 56.899 56.400 -0.158 0.000 0.866 689 E CB 0.695 30.270 29.700 -0.209 0.000 0.916 689 E HN 0.390 nan 8.360 nan 0.000 0.500 690 G N 1.474 110.192 108.800 -0.137 0.000 2.160 690 G HA2 -0.277 3.684 3.960 0.001 0.000 0.244 690 G HA3 -0.277 3.684 3.960 0.001 0.000 0.244 690 G C 0.753 175.566 174.900 -0.145 0.000 1.022 690 G CA 0.501 45.530 45.100 -0.119 0.000 0.741 690 G HN 0.342 nan 8.290 nan 0.000 0.508 691 L N -0.033 121.076 121.223 -0.189 0.000 2.616 691 L HA 0.511 4.852 4.340 0.001 0.000 0.229 691 L C 1.516 178.324 176.870 -0.104 0.000 1.110 691 L CA 0.475 55.164 54.840 -0.251 0.000 0.884 691 L CB 0.109 41.830 42.059 -0.564 0.000 1.115 691 L HN 1.165 nan 8.230 nan 0.000 0.481 692 G N 0.899 109.665 108.800 -0.057 0.000 2.719 692 G HA2 -0.232 3.729 3.960 0.001 0.000 0.686 692 G HA3 -0.232 3.729 3.960 0.001 0.000 0.686 692 G C 0.223 175.150 174.900 0.044 0.000 1.201 692 G CA -0.034 45.065 45.100 -0.003 0.000 0.768 692 G HN 0.249 nan 8.290 nan 0.000 0.629 693 E N 0.109 120.326 120.200 0.030 0.000 2.171 693 E HA -0.209 4.142 4.350 0.001 0.000 0.197 693 E C 1.914 178.558 176.600 0.073 0.000 0.997 693 E CA 1.955 58.377 56.400 0.037 0.000 0.810 693 E CB 0.048 29.761 29.700 0.022 0.000 0.738 693 E HN 0.611 nan 8.360 nan 0.000 0.467 694 D N -0.375 120.075 120.400 0.084 0.000 2.325 694 D HA -0.103 4.537 4.640 0.001 0.000 0.225 694 D C 1.392 177.769 176.300 0.128 0.000 1.096 694 D CA -0.229 53.824 54.000 0.088 0.000 0.844 694 D CB -0.467 40.368 40.800 0.060 0.000 0.925 694 D HN 0.214 nan 8.370 nan 0.000 0.513 695 F N 1.733 121.696 119.950 0.023 0.000 2.120 695 F HA -0.151 4.377 4.527 0.001 0.000 0.300 695 F C 1.907 177.769 175.800 0.103 0.000 1.095 695 F CA 0.931 58.948 58.000 0.029 0.000 1.249 695 F CB -0.485 38.524 39.000 0.014 0.000 0.995 695 F HN 0.011 nan 8.300 nan 0.000 0.480 696 I N 0.395 120.931 120.570 -0.057 0.000 2.300 696 I HA -0.372 3.799 4.170 0.001 0.000 0.252 696 I C 1.590 177.596 176.117 -0.184 0.000 1.119 696 I CA 2.112 63.289 61.300 -0.204 0.000 1.384 696 I CB -0.428 37.514 38.000 -0.096 0.000 1.062 696 I HN 0.146 nan 8.210 nan 0.000 0.426 697 D N 0.251 120.614 120.400 -0.062 0.000 2.347 697 D HA -0.081 4.560 4.640 0.001 0.000 0.213 697 D C 1.839 178.178 176.300 0.064 0.000 0.985 697 D CA 0.676 54.683 54.000 0.011 0.000 0.879 697 D CB 0.043 40.867 40.800 0.040 0.000 0.919 697 D HN 0.452 nan 8.370 nan 0.000 0.526 698 K N 0.175 120.572 120.400 -0.006 0.000 2.418 698 K HA 0.142 4.463 4.320 0.001 0.000 0.195 698 K C 0.750 177.494 176.600 0.239 0.000 1.035 698 K CA 0.145 56.468 56.287 0.059 0.000 1.003 698 K CB 0.708 33.230 32.500 0.038 0.000 0.793 698 K HN 0.106 nan 8.250 nan 0.000 0.494 699 I N 2.065 122.656 120.570 0.035 0.000 2.416 699 I HA 0.048 4.219 4.170 0.001 0.000 0.288 699 I C 0.526 176.657 176.117 0.023 0.000 1.051 699 I CA -0.633 60.685 61.300 0.031 0.000 1.375 699 I CB 0.960 38.820 38.000 -0.232 0.000 1.407 699 I HN 0.034 nan 8.210 nan 0.000 0.516 700 A N 5.402 128.244 122.820 0.035 0.000 2.366 700 A HA 0.426 4.747 4.320 0.001 0.000 0.250 700 A C -0.301 176.965 177.584 -0.529 0.000 1.099 700 A CA -0.053 51.848 52.037 -0.227 0.000 0.794 700 A CB 0.279 19.270 19.000 -0.014 0.000 1.056 700 A HN 0.870 nan 8.150 nan 0.000 0.499 701 D N -2.246 117.767 120.400 -0.645 0.000 2.825 701 D HA 0.412 5.053 4.640 0.001 0.000 0.327 701 D C 0.057 176.103 176.300 -0.424 0.000 1.277 701 D CA -0.316 53.094 54.000 -0.984 0.000 0.950 701 D CB -0.047 40.347 40.800 -0.676 0.000 1.438 701 D HN 0.302 nan 8.370 nan 0.000 0.526 702 E N -0.817 119.231 120.200 -0.253 0.000 2.265 702 E HA -0.088 4.263 4.350 0.001 0.000 0.196 702 E C 1.714 178.349 176.600 0.058 0.000 0.996 702 E CA 1.834 58.334 56.400 0.167 0.000 0.832 702 E CB -0.847 28.994 29.700 0.237 0.000 0.756 702 E HN 0.635 nan 8.360 nan 0.000 0.491 703 T N -1.369 113.149 114.554 -0.059 0.000 3.072 703 T HA -0.048 4.303 4.350 0.001 0.000 0.266 703 T C 1.773 176.428 174.700 -0.075 0.000 1.127 703 T CA 0.854 62.921 62.100 -0.055 0.000 1.107 703 T CB -0.170 68.651 68.868 -0.078 0.000 0.910 703 T HN 0.291 nan 8.240 nan 0.000 0.513 704 I N 0.324 120.822 120.570 -0.119 0.000 3.039 704 I HA 0.600 4.771 4.170 0.001 0.000 0.270 704 I C 0.752 176.851 176.117 -0.030 0.000 1.150 704 I CA 0.720 61.919 61.300 -0.168 0.000 1.448 704 I CB 0.499 38.179 38.000 -0.533 0.000 1.197 704 I HN 0.430 nan 8.210 nan 0.000 0.450 705 G N -0.792 108.059 108.800 0.086 0.000 2.328 705 G HA2 0.363 4.324 3.960 0.001 0.000 0.295 705 G HA3 0.363 4.324 3.960 0.001 0.000 0.295 705 G C -0.208 174.822 174.900 0.217 0.000 1.413 705 G CA 0.141 45.311 45.100 0.116 0.000 0.817 705 G HN 0.238 nan 8.290 nan 0.000 0.546 706 T N -3.077 111.517 114.554 0.066 0.000 3.144 706 T HA 0.489 4.839 4.350 0.001 0.000 0.290 706 T C 0.713 175.302 174.700 -0.186 0.000 0.966 706 T CA 1.060 63.124 62.100 -0.061 0.000 0.907 706 T CB 0.128 69.004 68.868 0.012 0.000 1.152 706 T HN 1.537 nan 8.240 nan 0.000 0.532 707 T N -1.661 112.823 114.554 -0.116 0.000 2.916 707 T HA 0.630 4.981 4.350 0.001 0.000 0.292 707 T C 1.162 175.810 174.700 -0.087 0.000 1.064 707 T CA -0.467 61.566 62.100 -0.112 0.000 1.011 707 T CB 1.706 70.538 68.868 -0.060 0.000 1.152 707 T HN -0.190 nan 8.240 nan 0.000 0.510 708 V N 1.199 121.067 119.914 -0.077 0.000 2.287 708 V HA -0.140 3.981 4.120 0.001 0.000 0.248 708 V C 2.342 178.432 176.094 -0.007 0.000 1.053 708 V CA 2.208 64.483 62.300 -0.042 0.000 1.027 708 V CB -0.765 31.036 31.823 -0.038 0.000 0.646 708 V HN 0.898 nan 8.190 nan 0.000 0.447 709 D N -0.390 120.006 120.400 -0.008 0.000 2.218 709 D HA -0.145 4.496 4.640 0.001 0.000 0.204 709 D C 2.221 178.534 176.300 0.022 0.000 0.976 709 D CA 1.067 55.072 54.000 0.008 0.000 0.853 709 D CB -0.111 40.691 40.800 0.003 0.000 0.939 709 D HN 0.576 nan 8.370 nan 0.000 0.481 710 E N -0.147 120.064 120.200 0.018 0.000 2.112 710 E HA -0.033 4.318 4.350 0.001 0.000 0.190 710 E C 2.218 178.853 176.600 0.059 0.000 0.979 710 E CA 0.466 56.886 56.400 0.033 0.000 0.814 710 E CB 0.113 29.828 29.700 0.025 0.000 0.762 710 E HN 0.451 nan 8.360 nan 0.000 0.460 711 I N -1.643 118.966 120.570 0.064 0.000 3.645 711 I HA 0.042 4.213 4.170 0.001 0.000 0.300 711 I C 2.011 178.217 176.117 0.147 0.000 1.260 711 I CA 0.069 61.436 61.300 0.112 0.000 1.365 711 I CB 0.170 38.257 38.000 0.145 0.000 1.077 711 I HN -0.005 nan 8.210 nan 0.000 0.439 712 L N 2.681 123.962 121.223 0.096 0.000 2.056 712 L HA 0.107 4.447 4.340 0.001 0.000 0.207 712 L C -0.515 176.417 176.870 0.104 0.000 1.078 712 L CA 2.216 57.108 54.840 0.086 0.000 0.749 712 L CB -1.645 40.443 42.059 0.049 0.000 0.901 712 L HN 0.107 nan 8.230 nan 0.000 0.433 713 P HA -0.247 nan 4.420 nan 0.000 0.216 713 P C 1.356 178.737 177.300 0.135 0.000 1.153 713 P CA 1.610 64.770 63.100 0.100 0.000 0.858 713 P CB -0.273 31.481 31.700 0.090 0.000 0.789 714 Y N 0.282 120.611 120.300 0.048 0.000 2.181 714 Y HA -0.187 4.364 4.550 0.001 0.000 0.288 714 Y C 2.050 177.992 175.900 0.070 0.000 1.146 714 Y CA 1.456 59.588 58.100 0.054 0.000 1.164 714 Y CB -0.938 37.556 38.460 0.056 0.000 0.982 714 Y HN -0.213 nan 8.280 nan 0.000 0.515 715 L N -0.090 121.280 121.223 0.245 0.000 2.046 715 L HA -0.226 4.114 4.340 0.001 0.000 0.208 715 L C 2.356 179.284 176.870 0.096 0.000 1.077 715 L CA 1.847 56.793 54.840 0.176 0.000 0.747 715 L CB -0.591 41.554 42.059 0.145 0.000 0.896 715 L HN 0.266 nan 8.230 nan 0.000 0.432 716 E N -0.185 120.059 120.200 0.072 0.000 2.051 716 E HA -0.265 4.086 4.350 0.001 0.000 0.192 716 E C 2.146 178.752 176.600 0.011 0.000 0.991 716 E CA 1.224 57.652 56.400 0.047 0.000 0.799 716 E CB -0.070 29.656 29.700 0.044 0.000 0.748 716 E HN 0.404 nan 8.360 nan 0.000 0.449 717 E N 0.826 121.013 120.200 -0.021 0.000 2.118 717 E HA -0.215 4.136 4.350 0.001 0.000 0.195 717 E C 1.416 177.955 176.600 -0.103 0.000 0.992 717 E CA 0.928 57.292 56.400 -0.059 0.000 0.804 717 E CB 0.212 29.869 29.700 -0.072 0.000 0.741 717 E HN -0.033 nan 8.360 nan 0.000 0.458 718 K N -0.314 119.983 120.400 -0.170 0.000 2.525 718 K HA 0.018 4.339 4.320 0.001 0.000 0.192 718 K C 0.834 177.411 176.600 -0.040 0.000 1.029 718 K CA 0.741 56.928 56.287 -0.168 0.000 1.029 718 K CB 0.059 32.377 32.500 -0.304 0.000 0.814 718 K HN 0.318 nan 8.250 nan 0.000 0.503 719 G N 2.899 111.701 108.800 0.003 0.000 2.338 719 G HA2 -0.284 3.677 3.960 0.001 0.000 0.296 719 G HA3 -0.284 3.677 3.960 0.001 0.000 0.296 719 G C -0.148 174.803 174.900 0.085 0.000 1.040 719 G CA 0.279 45.401 45.100 0.038 0.000 1.004 719 G HN 0.502 nan 8.290 nan 0.000 0.509 720 H N 1.247 120.356 119.070 0.066 0.000 2.929 720 H HA 0.153 4.710 4.556 0.001 0.000 0.317 720 H C -0.480 174.924 175.328 0.126 0.000 1.031 720 H CA -0.669 55.466 56.048 0.146 0.000 1.466 720 H CB 1.401 31.262 29.762 0.165 0.000 1.482 720 H HN 0.210 nan 8.280 nan 0.000 0.561 721 P HA -0.117 nan 4.420 nan 0.000 0.220 721 P C 1.140 178.566 177.300 0.211 0.000 1.148 721 P CA 1.298 64.445 63.100 0.077 0.000 0.803 721 P CB 0.058 31.688 31.700 -0.117 0.000 0.782 722 A N 0.553 123.670 122.820 0.496 0.000 1.978 722 A HA -0.146 4.175 4.320 0.001 0.000 0.220 722 A C 2.353 180.033 177.584 0.159 0.000 1.170 722 A CA 1.252 53.459 52.037 0.283 0.000 0.636 722 A CB -1.543 17.591 19.000 0.224 0.000 0.810 722 A HN 0.162 nan 8.150 nan 0.000 0.448 723 L N -0.377 120.953 121.223 0.178 0.000 2.191 723 L HA -0.114 4.227 4.340 0.001 0.000 0.212 723 L C 2.312 179.223 176.870 0.068 0.000 1.103 723 L CA 1.709 56.609 54.840 0.099 0.000 0.769 723 L CB -0.568 41.552 42.059 0.102 0.000 0.908 723 L HN 0.662 nan 8.230 nan 0.000 0.438 724 T N -5.248 109.346 114.554 0.068 0.000 3.040 724 T HA 0.284 4.634 4.350 0.001 0.000 0.266 724 T C 0.689 175.406 174.700 0.029 0.000 1.005 724 T CA -0.320 61.804 62.100 0.039 0.000 0.906 724 T CB 0.163 69.049 68.868 0.031 0.000 1.082 724 T HN -0.047 nan 8.240 nan 0.000 0.531 725 M N 2.389 122.011 119.600 0.037 0.000 2.219 725 M HA 0.188 4.669 4.480 0.001 0.000 0.307 725 M C 0.098 176.408 176.300 0.015 0.000 1.116 725 M CA -0.119 55.195 55.300 0.022 0.000 1.181 725 M CB 0.220 32.838 32.600 0.030 0.000 1.410 725 M HN 0.121 nan 8.290 nan 0.000 0.454 726 D N 1.681 122.085 120.400 0.006 0.000 2.449 726 D HA 0.115 4.756 4.640 0.001 0.000 0.236 726 D C -2.222 174.080 176.300 0.004 0.000 1.149 726 D CA -0.529 53.472 54.000 0.003 0.000 0.878 726 D CB -0.119 40.680 40.800 -0.003 0.000 1.198 726 D HN 0.218 nan 8.370 nan 0.000 0.446 727 P HA 0.038 nan 4.420 nan 0.000 0.264 727 P C 0.765 178.062 177.300 -0.005 0.000 1.193 727 P CA 0.072 63.172 63.100 -0.000 0.000 0.763 727 P CB 0.630 32.329 31.700 -0.002 0.000 0.810 728 I N 2.243 122.808 120.570 -0.008 0.000 2.584 728 I HA -0.070 4.101 4.170 0.001 0.000 0.255 728 I C 0.399 176.503 176.117 -0.023 0.000 1.145 728 I CA 0.767 62.056 61.300 -0.018 0.000 1.462 728 I CB 0.087 38.073 38.000 -0.023 0.000 1.102 728 I HN 0.325 nan 8.210 nan 0.000 0.433 729 M N 0.000 119.588 119.600 -0.020 0.000 2.572 729 M HA 0.000 4.481 4.480 0.001 0.000 0.227 729 M CA 0.000 55.289 55.300 -0.019 0.000 0.988 729 M CB 0.000 32.592 32.600 -0.013 0.000 1.302 729 M HN 0.000 nan 8.290 nan 0.000 0.411