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 1mjg_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 FVRSSVEEGL 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 0.000 174.710 174.700 0.017 0.000 1.109 2 T CA 0.000 62.105 62.100 0.009 0.000 1.349 2 T CB 0.000 68.878 68.868 0.017 0.000 0.612 3 D N -0.161 120.252 120.400 0.023 0.000 2.133 3 D HA -0.144 4.496 4.640 0.001 0.000 0.192 3 D C 1.494 177.798 176.300 0.008 0.000 1.001 3 D CA 2.276 56.285 54.000 0.014 0.000 0.844 3 D CB -0.256 40.561 40.800 0.028 0.000 0.944 3 D HN 0.484 nan 8.370 nan 0.000 0.447 4 F N 1.014 120.905 119.950 -0.099 0.000 2.171 4 F HA -0.129 4.399 4.527 0.001 0.000 0.300 4 F C 1.730 177.410 175.800 -0.199 0.000 1.090 4 F CA 1.368 59.280 58.000 -0.146 0.000 1.293 4 F CB -0.171 38.731 39.000 -0.163 0.000 1.013 4 F HN -0.087 nan 8.300 nan 0.000 0.486 5 D N 0.905 121.248 120.400 -0.095 0.000 2.384 5 D HA -0.171 4.470 4.640 0.001 0.000 0.222 5 D C 2.009 178.181 176.300 -0.213 0.000 0.976 5 D CA 1.043 54.984 54.000 -0.098 0.000 0.915 5 D CB -0.319 40.507 40.800 0.042 0.000 0.896 5 D HN 0.565 nan 8.370 nan 0.000 0.523 6 K N 1.264 121.523 120.400 -0.235 0.000 2.360 6 K HA -0.108 4.213 4.320 0.001 0.000 0.201 6 K C 2.102 178.552 176.600 -0.250 0.000 1.046 6 K CA 0.802 56.984 56.287 -0.176 0.000 0.945 6 K CB -0.549 31.877 32.500 -0.124 0.000 0.750 6 K HN 0.295 nan 8.250 nan 0.000 0.464 7 I N -2.722 117.534 120.570 -0.523 0.000 3.001 7 I HA -0.008 4.163 4.170 0.001 0.000 0.268 7 I C 0.980 176.859 176.117 -0.397 0.000 1.267 7 I CA 0.648 61.640 61.300 -0.513 0.000 1.472 7 I CB -0.301 37.240 38.000 -0.765 0.000 1.089 7 I HN -0.038 nan 8.210 nan 0.000 0.468 8 F N 0.964 120.822 119.950 -0.154 0.000 2.746 8 F HA 0.265 4.793 4.527 0.001 0.000 0.297 8 F C 1.060 176.910 175.800 0.083 0.000 1.113 8 F CA -0.561 57.369 58.000 -0.116 0.000 1.367 8 F CB -0.001 38.651 39.000 -0.581 0.000 1.111 8 F HN -0.035 nan 8.300 nan 0.000 0.590 9 E N 0.852 121.134 120.200 0.136 0.000 2.694 9 E HA 0.149 4.500 4.350 0.001 0.000 0.250 9 E C 1.132 177.830 176.600 0.163 0.000 0.963 9 E CA 0.806 57.278 56.400 0.120 0.000 0.949 9 E CB 0.059 29.783 29.700 0.041 0.000 0.911 9 E HN 0.433 nan 8.360 nan 0.000 0.500 10 G N 3.114 112.013 108.800 0.166 0.000 2.203 10 G HA2 -0.333 3.628 3.960 0.001 0.000 0.263 10 G HA3 -0.333 3.628 3.960 0.001 0.000 0.263 10 G C 0.959 175.973 174.900 0.191 0.000 1.012 10 G CA 0.864 46.055 45.100 0.151 0.000 0.749 10 G HN 0.728 nan 8.290 nan 0.000 0.512 11 A N -0.874 122.130 122.820 0.305 0.000 1.929 11 A HA 0.477 4.798 4.320 0.001 0.000 0.216 11 A C 1.257 178.980 177.584 0.232 0.000 1.176 11 A CA 1.127 53.376 52.037 0.354 0.000 0.628 11 A CB 0.091 19.495 19.000 0.673 0.000 0.816 11 A HN 0.780 nan 8.150 nan 0.000 0.444 12 I N 1.313 122.009 120.570 0.211 0.000 2.312 12 I HA 0.264 4.435 4.170 0.001 0.000 0.290 12 I C -2.413 173.763 176.117 0.099 0.000 1.008 12 I CA -2.086 59.289 61.300 0.125 0.000 1.226 12 I CB 1.439 39.509 38.000 0.117 0.000 1.371 12 I HN 0.045 nan 8.210 nan 0.000 0.468 13 P HA 0.107 nan 4.420 nan 0.000 0.272 13 P C -0.470 176.856 177.300 0.043 0.000 1.230 13 P CA -0.466 62.662 63.100 0.047 0.000 0.788 13 P CB 0.475 32.192 31.700 0.028 0.000 0.949 14 E N 0.668 120.890 120.200 0.037 0.000 2.502 14 E HA 0.138 4.489 4.350 0.001 0.000 0.261 14 E C 1.097 177.711 176.600 0.024 0.000 0.974 14 E CA 0.933 57.352 56.400 0.033 0.000 0.936 14 E CB -0.190 29.526 29.700 0.026 0.000 0.926 14 E HN 0.782 nan 8.360 nan 0.000 0.459 15 G N 3.220 112.035 108.800 0.024 0.000 2.233 15 G HA2 -0.302 3.659 3.960 0.001 0.000 0.270 15 G HA3 -0.302 3.659 3.960 0.001 0.000 0.270 15 G C 0.448 175.352 174.900 0.007 0.000 1.011 15 G CA 0.320 45.429 45.100 0.015 0.000 0.762 15 G HN 0.397 nan 8.290 nan 0.000 0.511 16 K N 0.259 120.665 120.400 0.009 0.000 2.618 16 K HA 0.164 4.484 4.320 0.001 0.000 0.207 16 K C 0.417 176.997 176.600 -0.033 0.000 1.058 16 K CA -0.344 55.938 56.287 -0.008 0.000 1.086 16 K CB 0.608 33.109 32.500 0.001 0.000 0.827 16 K HN 0.419 nan 8.250 nan 0.000 0.481 17 E N 2.941 123.129 120.200 -0.021 0.000 2.498 17 E HA -0.019 4.332 4.350 0.001 0.000 0.252 17 E C -2.022 174.458 176.600 -0.200 0.000 1.025 17 E CA -1.259 55.113 56.400 -0.047 0.000 0.938 17 E CB 0.523 30.250 29.700 0.047 0.000 0.947 17 E HN 0.073 nan 8.360 nan 0.000 0.478 18 P HA 0.000 nan 4.420 nan 0.000 0.214 18 P C 1.175 178.027 177.300 -0.747 0.000 1.826 18 P CA -0.003 62.787 63.100 -0.515 0.000 0.977 18 P CB -0.061 31.327 31.700 -0.520 0.000 1.930 19 V N 0.261 119.935 119.914 -0.400 0.000 2.380 19 V HA -0.275 3.846 4.120 0.001 0.000 0.251 19 V C 2.251 178.235 176.094 -0.183 0.000 1.063 19 V CA 2.093 64.269 62.300 -0.205 0.000 1.055 19 V CB -1.800 29.999 31.823 -0.040 0.000 0.657 19 V HN 0.235 nan 8.190 nan 0.000 0.455 20 A N 0.248 122.961 122.820 -0.179 0.000 1.933 20 A HA -0.067 4.254 4.320 0.001 0.000 0.218 20 A C 2.354 179.840 177.584 -0.163 0.000 1.175 20 A CA 2.079 54.040 52.037 -0.128 0.000 0.628 20 A CB -0.624 18.325 19.000 -0.085 0.000 0.814 20 A HN 0.606 nan 8.150 nan 0.000 0.444 21 L N -1.492 119.569 121.223 -0.268 0.000 2.056 21 L HA -0.136 4.205 4.340 0.001 0.000 0.207 21 L C 2.331 179.040 176.870 -0.268 0.000 1.078 21 L CA 1.619 56.280 54.840 -0.298 0.000 0.749 21 L CB -0.392 41.424 42.059 -0.405 0.000 0.901 21 L HN 0.400 nan 8.230 nan 0.000 0.433 22 F N 0.086 119.878 119.950 -0.264 0.000 2.171 22 F HA -0.186 4.342 4.527 0.001 0.000 0.300 22 F C 2.796 178.452 175.800 -0.239 0.000 1.090 22 F CA 1.094 58.918 58.000 -0.292 0.000 1.293 22 F CB -1.035 37.845 39.000 -0.199 0.000 1.013 22 F HN 0.088 nan 8.300 nan 0.000 0.486 23 R N 0.552 121.032 120.500 -0.033 0.000 2.081 23 R HA -0.193 4.148 4.340 0.001 0.000 0.235 23 R C 2.265 178.400 176.300 -0.275 0.000 1.131 23 R CA 1.709 57.716 56.100 -0.155 0.000 0.960 23 R CB -0.372 29.808 30.300 -0.200 0.000 0.856 23 R HN 0.379 nan 8.270 nan 0.000 0.436 24 E N -0.165 119.928 120.200 -0.178 0.000 2.077 24 E HA -0.167 4.184 4.350 0.001 0.000 0.193 24 E C 1.859 178.430 176.600 -0.048 0.000 0.989 24 E CA 1.518 57.868 56.400 -0.082 0.000 0.800 24 E CB 0.099 29.789 29.700 -0.017 0.000 0.746 24 E HN 0.181 nan 8.360 nan 0.000 0.452 25 V N 0.711 120.542 119.914 -0.138 0.000 2.287 25 V HA -0.281 3.840 4.120 0.001 0.000 0.248 25 V C 2.157 178.237 176.094 -0.023 0.000 1.053 25 V CA 2.205 64.403 62.300 -0.169 0.000 1.027 25 V CB -0.799 30.735 31.823 -0.482 0.000 0.646 25 V HN 0.454 nan 8.190 nan 0.000 0.447 26 Y N 0.531 120.750 120.300 -0.137 0.000 2.128 26 Y HA -0.338 4.213 4.550 0.002 0.000 0.284 26 Y C 2.618 178.560 175.900 0.071 0.000 1.154 26 Y CA 2.321 60.383 58.100 -0.063 0.000 1.149 26 Y CB -0.382 38.021 38.460 -0.095 0.000 0.976 26 Y HN 0.378 nan 8.280 nan 0.000 0.505 27 H N -1.261 117.719 119.070 -0.150 0.000 2.353 27 H HA -0.119 4.438 4.556 0.001 0.000 0.300 27 H C 2.351 177.604 175.328 -0.124 0.000 1.090 27 H CA 0.447 56.364 56.048 -0.219 0.000 1.327 27 H CB -0.358 29.362 29.762 -0.070 0.000 1.383 27 H HN 0.548 nan 8.280 nan 0.000 0.508 28 G N 0.238 109.093 108.800 0.092 0.000 2.422 28 G HA2 -0.189 3.772 3.960 0.001 0.000 0.218 28 G HA3 -0.189 3.772 3.960 0.001 0.000 0.218 28 G C 1.839 176.772 174.900 0.054 0.000 1.140 28 G CA 0.632 45.782 45.100 0.082 0.000 0.775 28 G HN 0.453 nan 8.290 nan 0.000 0.545 29 A N 0.561 123.393 122.820 0.019 0.000 1.929 29 A HA 0.187 4.508 4.320 0.001 0.000 0.216 29 A C 2.348 179.926 177.584 -0.009 0.000 1.176 29 A CA 0.832 52.878 52.037 0.015 0.000 0.628 29 A CB -0.251 18.754 19.000 0.008 0.000 0.816 29 A HN 0.347 nan 8.150 nan 0.000 0.444 30 I N -0.406 120.114 120.570 -0.083 0.000 2.179 30 I HA -0.231 3.940 4.170 0.001 0.000 0.242 30 I C 2.632 178.734 176.117 -0.025 0.000 1.088 30 I CA 1.793 63.034 61.300 -0.099 0.000 1.357 30 I CB -0.601 37.259 38.000 -0.233 0.000 1.051 30 I HN 0.261 nan 8.210 nan 0.000 0.409 31 T N 0.868 115.414 114.554 -0.013 0.000 2.635 31 T HA -0.233 4.118 4.350 0.001 0.000 0.267 31 T C 2.016 176.786 174.700 0.117 0.000 1.040 31 T CA 1.690 63.812 62.100 0.037 0.000 1.156 31 T CB -0.423 68.467 68.868 0.036 0.000 0.863 31 T HN 0.493 nan 8.240 nan 0.000 0.430 32 A N 1.744 124.636 122.820 0.120 0.000 1.877 32 A HA -0.146 4.175 4.320 0.001 0.000 0.216 32 A C 2.665 180.338 177.584 0.150 0.000 1.186 32 A CA 2.475 54.610 52.037 0.165 0.000 0.620 32 A CB -1.365 17.707 19.000 0.121 0.000 0.822 32 A HN 0.657 nan 8.150 nan 0.000 0.443 33 T N -2.964 111.645 114.554 0.093 0.000 2.777 33 T HA -0.099 4.252 4.350 0.001 0.000 0.266 33 T C 2.033 176.776 174.700 0.072 0.000 1.040 33 T CA 1.806 63.947 62.100 0.069 0.000 1.141 33 T CB -0.598 68.293 68.868 0.037 0.000 0.868 33 T HN 0.254 nan 8.240 nan 0.000 0.444 34 S N 0.607 116.354 115.700 0.080 0.000 2.368 34 S HA -0.013 4.457 4.470 0.001 0.000 0.224 34 S C 1.626 176.311 174.600 0.142 0.000 1.029 34 S CA 0.938 59.187 58.200 0.082 0.000 0.988 34 S CB -0.621 62.616 63.200 0.062 0.000 0.838 34 S HN 0.614 nan 8.310 nan 0.000 0.462 35 Y N 2.589 122.911 120.300 0.037 0.000 2.145 35 Y HA -0.107 4.444 4.550 0.001 0.000 0.286 35 Y C 2.416 178.346 175.900 0.050 0.000 1.145 35 Y CA 0.849 58.982 58.100 0.055 0.000 1.148 35 Y CB -1.093 37.421 38.460 0.090 0.000 0.981 35 Y HN 0.196 nan 8.280 nan 0.000 0.507 36 A N 0.292 123.090 122.820 -0.037 0.000 1.940 36 A HA -0.220 4.101 4.320 0.001 0.000 0.219 36 A C 2.295 179.828 177.584 -0.085 0.000 1.176 36 A CA 1.870 53.827 52.037 -0.133 0.000 0.631 36 A CB -0.831 18.151 19.000 -0.031 0.000 0.814 36 A HN 0.571 nan 8.150 nan 0.000 0.446 37 E N 0.315 120.503 120.200 -0.019 0.000 2.077 37 E HA -0.168 4.183 4.350 0.001 0.000 0.193 37 E C 1.933 178.523 176.600 -0.016 0.000 0.989 37 E CA 1.358 57.753 56.400 -0.008 0.000 0.800 37 E CB -0.270 29.439 29.700 0.014 0.000 0.746 37 E HN 0.669 nan 8.360 nan 0.000 0.452 38 I N 0.828 121.394 120.570 -0.006 0.000 2.179 38 I HA -0.303 3.868 4.170 0.001 0.000 0.242 38 I C 2.610 178.704 176.117 -0.037 0.000 1.088 38 I CA 0.878 62.180 61.300 0.003 0.000 1.357 38 I CB -0.228 37.809 38.000 0.062 0.000 1.051 38 I HN 0.116 nan 8.210 nan 0.000 0.409 39 L N -0.288 120.866 121.223 -0.115 0.000 2.093 39 L HA -0.207 4.134 4.340 0.001 0.000 0.208 39 L C 2.547 179.377 176.870 -0.067 0.000 1.085 39 L CA 0.793 55.559 54.840 -0.122 0.000 0.755 39 L CB -0.543 41.364 42.059 -0.253 0.000 0.904 39 L HN 0.284 nan 8.230 nan 0.000 0.435 40 L N 0.306 121.491 121.223 -0.064 0.000 1.994 40 L HA -0.190 4.151 4.340 0.001 0.000 0.208 40 L C 2.228 179.092 176.870 -0.010 0.000 1.071 40 L CA 1.880 56.702 54.840 -0.031 0.000 0.745 40 L CB -0.790 41.253 42.059 -0.026 0.000 0.892 40 L HN 0.233 nan 8.230 nan 0.000 0.431 41 N N -0.650 118.043 118.700 -0.012 0.000 2.309 41 N HA -0.180 4.561 4.740 0.001 0.000 0.182 41 N C 1.780 177.282 175.510 -0.012 0.000 1.018 41 N CA 1.018 54.064 53.050 -0.006 0.000 0.876 41 N CB -0.153 38.331 38.487 -0.005 0.000 0.972 41 N HN 0.479 nan 8.380 nan 0.000 0.434 42 Q N 1.239 121.028 119.800 -0.018 0.000 2.083 42 Q HA 0.116 4.457 4.340 0.001 0.000 0.198 42 Q C 1.855 177.829 176.000 -0.043 0.000 0.969 42 Q CA 1.612 57.396 55.803 -0.032 0.000 0.838 42 Q CB -0.489 28.233 28.738 -0.027 0.000 0.900 42 Q HN 0.270 nan 8.270 nan 0.000 0.436 43 A N 0.382 123.201 122.820 -0.002 0.000 1.902 43 A HA -0.141 4.180 4.320 0.001 0.000 0.217 43 A C 2.171 179.802 177.584 0.079 0.000 1.181 43 A CA 1.545 53.625 52.037 0.072 0.000 0.623 43 A CB -0.777 18.300 19.000 0.128 0.000 0.818 43 A HN 0.485 nan 8.150 nan 0.000 0.443 44 I N -1.044 119.553 120.570 0.044 0.000 2.286 44 I HA -0.250 3.921 4.170 0.001 0.000 0.248 44 I C 2.719 178.839 176.117 0.006 0.000 1.115 44 I CA 1.255 62.581 61.300 0.044 0.000 1.392 44 I CB -0.316 37.700 38.000 0.028 0.000 1.065 44 I HN 0.296 nan 8.210 nan 0.000 0.418 45 R N -0.099 120.383 120.500 -0.031 0.000 2.115 45 R HA -0.094 4.247 4.340 0.001 0.000 0.230 45 R C 2.196 178.432 176.300 -0.107 0.000 1.111 45 R CA 1.687 57.755 56.100 -0.053 0.000 0.976 45 R CB -0.365 29.903 30.300 -0.054 0.000 0.870 45 R HN 0.350 nan 8.270 nan 0.000 0.445 46 T N -0.631 113.803 114.554 -0.201 0.000 2.894 46 T HA -0.036 4.315 4.350 0.001 0.000 0.258 46 T C 0.880 175.298 174.700 -0.470 0.000 1.043 46 T CA 1.070 62.920 62.100 -0.416 0.000 1.141 46 T CB -0.029 68.413 68.868 -0.710 0.000 0.873 46 T HN 0.246 nan 8.240 nan 0.000 0.449 47 Y N 0.758 121.006 120.300 -0.087 0.000 2.442 47 Y HA 0.491 5.042 4.550 0.001 0.000 0.250 47 Y C 1.386 177.299 175.900 0.022 0.000 1.113 47 Y CA -0.321 57.726 58.100 -0.088 0.000 1.273 47 Y CB 0.241 38.485 38.460 -0.360 0.000 1.138 47 Y HN 0.316 nan 8.280 nan 0.000 0.522 48 G N 1.434 110.315 108.800 0.134 0.000 2.705 48 G HA2 -0.164 3.797 3.960 0.001 0.000 0.686 48 G HA3 -0.164 3.797 3.960 0.001 0.000 0.686 48 G C -1.964 173.009 174.900 0.122 0.000 1.285 48 G CA -0.501 44.664 45.100 0.108 0.000 0.800 48 G HN 0.022 nan 8.290 nan 0.000 0.611 49 P HA 0.017 nan 4.420 nan 0.000 0.226 49 P C 0.598 177.934 177.300 0.061 0.000 1.153 49 P CA 1.402 64.538 63.100 0.060 0.000 0.777 49 P CB 0.215 31.935 31.700 0.033 0.000 0.794 50 D N -2.031 118.410 120.400 0.067 0.000 2.339 50 D HA -0.034 4.607 4.640 0.001 0.000 0.217 50 D C 0.825 177.149 176.300 0.041 0.000 1.050 50 D CA 0.212 54.236 54.000 0.040 0.000 0.856 50 D CB -0.495 40.317 40.800 0.021 0.000 0.922 50 D HN 0.306 nan 8.370 nan 0.000 0.518 51 H N 1.996 121.071 119.070 0.009 0.000 2.886 51 H HA 0.095 4.652 4.556 0.001 0.000 0.329 51 H C -2.288 173.007 175.328 -0.055 0.000 1.044 51 H CA -1.161 54.877 56.048 -0.017 0.000 1.456 51 H CB 0.804 30.567 29.762 0.003 0.000 1.464 51 H HN -0.157 nan 8.280 nan 0.000 0.573 52 P HA 0.008 nan 4.420 nan 0.000 0.270 52 P C -1.006 176.291 177.300 -0.005 0.000 1.223 52 P CA -0.027 62.991 63.100 -0.137 0.000 0.785 52 P CB 0.925 32.496 31.700 -0.215 0.000 0.923 53 V N 1.178 121.063 119.914 -0.049 0.000 2.891 53 V HA 0.865 4.986 4.120 0.001 0.000 0.304 53 V C -0.356 175.634 176.094 -0.174 0.000 1.171 53 V CA 0.372 62.620 62.300 -0.087 0.000 0.943 53 V CB 1.636 33.409 31.823 -0.083 0.000 1.037 53 V HN 0.863 nan 8.190 nan 0.000 0.427 54 G N 4.270 112.899 108.800 -0.285 0.000 2.324 54 G HA2 0.345 4.305 3.960 0.001 0.000 0.293 54 G HA3 0.345 4.305 3.960 0.001 0.000 0.293 54 G C -2.140 172.413 174.900 -0.578 0.000 1.297 54 G CA -0.532 44.302 45.100 -0.443 0.000 0.853 54 G HN 0.763 nan 8.290 nan 0.000 0.535 55 Y N 0.675 120.654 120.300 -0.535 0.000 2.528 55 Y HA 0.668 5.219 4.550 0.001 0.000 0.335 55 Y C -1.546 174.037 175.900 -0.529 0.000 1.093 55 Y CA -1.844 55.746 58.100 -0.849 0.000 1.134 55 Y CB 2.336 39.725 38.460 -1.785 0.000 1.253 55 Y HN 0.431 nan 8.280 nan 0.000 0.478 56 P HA 0.086 nan 4.420 nan 0.000 0.279 56 P C -1.020 176.298 177.300 0.029 0.000 1.252 56 P CA -0.253 62.806 63.100 -0.068 0.000 0.811 56 P CB 0.859 32.535 31.700 -0.040 0.000 1.035 57 D N -1.833 118.592 120.400 0.041 0.000 2.697 57 D HA -0.134 4.507 4.640 0.001 0.000 0.238 57 D C -0.184 176.180 176.300 0.106 0.000 1.152 57 D CA 1.301 55.343 54.000 0.071 0.000 0.666 57 D CB -1.770 39.079 40.800 0.083 0.000 1.037 57 D HN 0.493 nan 8.370 nan 0.000 0.423 58 T N -2.353 112.221 114.554 0.033 0.000 2.932 58 T HA 0.628 4.979 4.350 0.001 0.000 0.318 58 T C -0.052 174.545 174.700 -0.173 0.000 1.265 58 T CA 0.144 62.270 62.100 0.043 0.000 1.036 58 T CB 1.793 70.782 68.868 0.201 0.000 1.209 58 T HN 0.031 nan 8.240 nan 0.000 0.484 59 A N 2.444 125.092 122.820 -0.288 0.000 2.390 59 A HA 0.371 4.692 4.320 0.001 0.000 0.232 59 A C -0.023 176.973 177.584 -0.980 0.000 1.233 59 A CA 0.084 51.721 52.037 -0.666 0.000 0.907 59 A CB -0.137 18.428 19.000 -0.725 0.000 0.967 59 A HN 0.780 nan 8.150 nan 0.000 0.512 60 Y N -1.178 118.993 120.300 -0.216 0.000 2.751 60 Y HA 0.366 4.917 4.550 0.001 0.000 0.289 60 Y C 0.530 176.456 175.900 0.043 0.000 1.110 60 Y CA -1.275 56.791 58.100 -0.056 0.000 1.251 60 Y CB -0.956 37.493 38.460 -0.018 0.000 1.178 60 Y HN 0.342 nan 8.280 nan 0.000 0.540 61 Y N -1.622 118.652 120.300 -0.044 0.000 2.782 61 Y HA -0.414 4.137 4.550 0.001 0.000 0.470 61 Y C 0.480 176.342 175.900 -0.064 0.000 1.120 61 Y CA 0.337 58.387 58.100 -0.084 0.000 2.770 61 Y CB -1.105 37.302 38.460 -0.089 0.000 1.147 61 Y HN -0.040 nan 8.280 nan 0.000 0.619 62 L N 3.176 124.469 121.223 0.118 0.000 2.288 62 L HA 0.169 4.510 4.340 0.001 0.000 0.283 62 L C -1.784 175.134 176.870 0.080 0.000 1.072 62 L CA -1.656 53.209 54.840 0.042 0.000 0.862 62 L CB 0.857 42.867 42.059 -0.083 0.000 1.245 62 L HN 0.247 nan 8.230 nan 0.000 0.432 63 P HA -0.232 nan 4.420 nan 0.000 0.217 63 P C 1.800 179.052 177.300 -0.080 0.000 1.158 63 P CA 1.135 64.280 63.100 0.074 0.000 0.887 63 P CB 0.309 32.068 31.700 0.098 0.000 0.792 64 V N -0.794 119.040 119.914 -0.133 0.000 2.332 64 V HA -0.244 3.877 4.120 0.001 0.000 0.248 64 V C 2.363 178.245 176.094 -0.353 0.000 1.055 64 V CA 1.745 63.887 62.300 -0.263 0.000 1.038 64 V CB -1.081 30.618 31.823 -0.206 0.000 0.651 64 V HN 0.082 nan 8.190 nan 0.000 0.450 65 I N -0.184 120.153 120.570 -0.388 0.000 2.202 65 I HA -0.219 3.952 4.170 0.001 0.000 0.242 65 I C 2.741 178.819 176.117 -0.065 0.000 1.091 65 I CA 1.718 62.800 61.300 -0.364 0.000 1.368 65 I CB -0.390 37.434 38.000 -0.294 0.000 1.058 65 I HN 0.232 nan 8.210 nan 0.000 0.410 66 R N 0.611 121.094 120.500 -0.029 0.000 2.105 66 R HA -0.215 4.125 4.340 0.001 0.000 0.239 66 R C 2.456 178.783 176.300 0.044 0.000 1.135 66 R CA 2.038 58.163 56.100 0.041 0.000 0.967 66 R CB -0.918 29.474 30.300 0.154 0.000 0.861 66 R HN 0.492 nan 8.270 nan 0.000 0.442 67 C N -0.442 118.840 119.300 -0.031 0.000 2.473 67 C HA 0.001 4.462 4.460 0.001 0.000 0.279 67 C C 2.292 177.344 174.990 0.103 0.000 1.250 67 C CA 0.523 59.497 59.018 -0.073 0.000 1.713 67 C CB -1.185 26.361 27.740 -0.323 0.000 2.066 67 C HN 0.597 nan 8.230 nan 0.000 0.474 68 F N 1.843 121.881 119.950 0.147 0.000 2.293 68 F HA 0.079 4.606 4.527 0.001 0.000 0.297 68 F C 2.645 178.559 175.800 0.190 0.000 1.089 68 F CA 1.468 59.592 58.000 0.207 0.000 1.377 68 F CB -0.702 38.511 39.000 0.355 0.000 1.051 68 F HN 0.444 nan 8.300 nan 0.000 0.511 69 S N -2.455 113.474 115.700 0.381 0.000 2.666 69 S HA 0.463 4.934 4.470 0.001 0.000 0.239 69 S C 1.652 176.334 174.600 0.138 0.000 1.031 69 S CA 0.241 58.588 58.200 0.246 0.000 1.015 69 S CB 0.491 63.860 63.200 0.282 0.000 0.981 69 S HN 0.456 nan 8.310 nan 0.000 0.547 70 G N 2.501 111.369 108.800 0.113 0.000 2.184 70 G HA2 -0.299 3.662 3.960 0.001 0.000 0.264 70 G HA3 -0.299 3.662 3.960 0.001 0.000 0.264 70 G C -0.089 174.799 174.900 -0.020 0.000 0.975 70 G CA 0.418 45.545 45.100 0.046 0.000 0.642 70 G HN 0.768 nan 8.290 nan 0.000 0.536 71 E N 1.269 121.454 120.200 -0.026 0.000 2.383 71 E HA 0.340 4.691 4.350 0.001 0.000 0.264 71 E C -0.230 176.225 176.600 -0.241 0.000 1.050 71 E CA -0.347 55.989 56.400 -0.107 0.000 0.896 71 E CB 0.738 30.400 29.700 -0.064 0.000 0.982 71 E HN 0.526 nan 8.360 nan 0.000 0.424 72 E N 1.586 121.535 120.200 -0.418 0.000 1.932 72 E HA 0.204 4.555 4.350 0.001 0.000 0.259 72 E C -0.629 175.626 176.600 -0.575 0.000 1.099 72 E CA -0.380 55.452 56.400 -0.947 0.000 0.970 72 E CB 0.894 29.934 29.700 -1.100 0.000 1.143 72 E HN 0.225 nan 8.360 nan 0.000 0.441 73 V N 3.374 123.116 119.914 -0.287 0.000 2.485 73 V HA -0.049 4.072 4.120 0.001 0.000 0.287 73 V C 1.008 177.114 176.094 0.020 0.000 1.022 73 V CA 0.748 62.989 62.300 -0.099 0.000 1.067 73 V CB 0.689 32.474 31.823 -0.063 0.000 0.967 73 V HN 0.625 nan 8.190 nan 0.000 0.479 74 K N 3.289 123.686 120.400 -0.004 0.000 2.511 74 K HA 0.227 4.548 4.320 0.001 0.000 0.206 74 K C 0.255 176.844 176.600 -0.019 0.000 1.333 74 K CA -0.046 56.259 56.287 0.031 0.000 0.957 74 K CB 0.745 33.268 32.500 0.039 0.000 1.172 74 K HN 0.751 nan 8.250 nan 0.000 0.547 75 K N 0.142 120.528 120.400 -0.024 0.000 2.443 75 K HA 0.348 4.669 4.320 0.001 0.000 0.251 75 K C 0.512 177.110 176.600 -0.004 0.000 0.972 75 K CA -0.714 55.565 56.287 -0.014 0.000 0.833 75 K CB 1.581 34.074 32.500 -0.010 0.000 1.317 75 K HN -0.217 nan 8.250 nan 0.000 0.441 76 L N 0.913 122.151 121.223 0.025 0.000 2.051 76 L HA -0.197 4.144 4.340 0.001 0.000 0.214 76 L C 2.285 179.163 176.870 0.014 0.000 1.076 76 L CA 2.092 56.946 54.840 0.023 0.000 0.758 76 L CB -0.798 41.297 42.059 0.060 0.000 0.890 76 L HN 1.118 nan 8.230 nan 0.000 0.433 77 G N -0.877 107.934 108.800 0.019 0.000 2.535 77 G HA2 -0.216 3.745 3.960 0.001 0.000 0.218 77 G HA3 -0.216 3.745 3.960 0.001 0.000 0.218 77 G C 1.049 175.948 174.900 -0.002 0.000 1.122 77 G CA 0.641 45.747 45.100 0.010 0.000 0.769 77 G HN 0.342 nan 8.290 nan 0.000 0.549 78 D N 0.074 120.467 120.400 -0.011 0.000 2.289 78 D HA 0.042 4.682 4.640 0.001 0.000 0.207 78 D C 2.523 178.816 176.300 -0.012 0.000 0.966 78 D CA 0.162 54.150 54.000 -0.021 0.000 0.868 78 D CB 0.173 40.949 40.800 -0.039 0.000 0.943 78 D HN 0.328 nan 8.370 nan 0.000 0.514 79 L N 0.602 121.820 121.223 -0.008 0.000 2.095 79 L HA -0.010 4.330 4.340 0.001 0.000 0.204 79 L C -0.530 176.349 176.870 0.015 0.000 1.080 79 L CA 0.732 55.574 54.840 0.003 0.000 0.759 79 L CB -1.390 40.664 42.059 -0.008 0.000 0.914 79 L HN -0.038 nan 8.230 nan 0.000 0.439 80 P HA -0.194 nan 4.420 nan 0.000 0.217 80 P C -1.380 175.928 177.300 0.014 0.000 1.162 80 P CA 1.910 65.016 63.100 0.011 0.000 0.901 80 P CB -1.155 30.549 31.700 0.006 0.000 0.793 81 P HA -0.097 nan 4.420 nan 0.000 0.219 81 P C 1.602 178.914 177.300 0.021 0.000 1.150 81 P CA 1.374 64.481 63.100 0.011 0.000 0.814 81 P CB -0.388 31.315 31.700 0.005 0.000 0.787 82 I N -0.728 119.866 120.570 0.041 0.000 2.202 82 I HA -0.204 3.967 4.170 0.001 0.000 0.242 82 I C 2.487 178.656 176.117 0.088 0.000 1.091 82 I CA 0.904 62.253 61.300 0.083 0.000 1.368 82 I CB -0.691 37.383 38.000 0.124 0.000 1.058 82 I HN -0.093 nan 8.210 nan 0.000 0.410 83 L N 1.066 122.336 121.223 0.077 0.000 2.083 83 L HA -0.172 4.168 4.340 0.001 0.000 0.209 83 L C 2.113 178.996 176.870 0.022 0.000 1.083 83 L CA 1.855 56.736 54.840 0.068 0.000 0.752 83 L CB -1.004 41.086 42.059 0.052 0.000 0.899 83 L HN 0.183 nan 8.230 nan 0.000 0.433 84 N N 0.135 118.843 118.700 0.012 0.000 2.149 84 N HA -0.184 4.557 4.740 0.001 0.000 0.188 84 N C 1.948 177.446 175.510 -0.021 0.000 1.019 84 N CA 1.378 54.427 53.050 -0.002 0.000 0.857 84 N CB -0.169 38.317 38.487 -0.001 0.000 0.997 84 N HN 0.417 nan 8.380 nan 0.000 0.426 85 R N 0.588 121.070 120.500 -0.030 0.000 2.096 85 R HA -0.007 4.333 4.340 0.001 0.000 0.235 85 R C 1.846 178.086 176.300 -0.100 0.000 1.127 85 R CA 0.929 56.993 56.100 -0.060 0.000 0.968 85 R CB 0.056 30.318 30.300 -0.064 0.000 0.861 85 R HN 0.090 nan 8.270 nan 0.000 0.440 86 K N 0.387 120.715 120.400 -0.121 0.000 2.116 86 K HA -0.083 4.237 4.320 0.001 0.000 0.203 86 K C 1.933 178.482 176.600 -0.085 0.000 1.052 86 K CA 0.834 57.023 56.287 -0.164 0.000 0.952 86 K CB -0.223 32.160 32.500 -0.196 0.000 0.729 86 K HN 0.155 nan 8.250 nan 0.000 0.446 87 R N 0.855 121.330 120.500 -0.041 0.000 2.105 87 R HA -0.093 4.248 4.340 0.001 0.000 0.239 87 R C 1.944 178.233 176.300 -0.018 0.000 1.135 87 R CA 1.524 57.614 56.100 -0.017 0.000 0.967 87 R CB -0.125 30.174 30.300 -0.003 0.000 0.861 87 R HN 0.128 nan 8.270 nan 0.000 0.442 88 A N 1.075 123.878 122.820 -0.029 0.000 2.066 88 A HA -0.147 4.174 4.320 0.001 0.000 0.218 88 A C 1.860 179.422 177.584 -0.036 0.000 1.157 88 A CA 1.098 53.120 52.037 -0.025 0.000 0.670 88 A CB -0.257 18.726 19.000 -0.029 0.000 0.804 88 A HN 0.674 nan 8.150 nan 0.000 0.453 89 Q N -0.470 119.291 119.800 -0.064 0.000 2.403 89 Q HA 0.202 4.543 4.340 0.001 0.000 0.203 89 Q C -0.562 175.402 176.000 -0.061 0.000 0.932 89 Q CA 0.210 55.964 55.803 -0.081 0.000 0.945 89 Q CB -0.135 28.523 28.738 -0.133 0.000 1.045 89 Q HN 0.213 nan 8.270 nan 0.000 0.511 90 V N 2.353 122.256 119.914 -0.018 0.000 2.387 90 V HA 0.150 4.271 4.120 0.001 0.000 0.260 90 V C -0.066 176.097 176.094 0.114 0.000 1.054 90 V CA -0.202 62.127 62.300 0.048 0.000 0.967 90 V CB 0.800 32.660 31.823 0.062 0.000 1.036 90 V HN 0.318 nan 8.190 nan 0.000 0.481 91 S N 7.261 122.989 115.700 0.048 0.000 2.525 91 S HA 0.536 5.006 4.470 0.001 0.000 0.290 91 S C -1.152 173.282 174.600 -0.278 0.000 1.152 91 S CA -1.541 56.634 58.200 -0.041 0.000 1.072 91 S CB 1.875 65.015 63.200 -0.100 0.000 1.027 91 S HN 0.587 nan 8.310 nan 0.000 0.500 92 P HA 0.052 nan 4.420 nan 0.000 0.236 92 P C 0.024 177.035 177.300 -0.481 0.000 1.177 92 P CA 0.263 62.899 63.100 -0.774 0.000 0.773 92 P CB -0.041 31.475 31.700 -0.306 0.000 0.878 93 V N 2.700 122.437 119.914 -0.295 0.000 2.397 93 V HA 0.026 4.147 4.120 0.001 0.000 0.262 93 V C 0.844 176.795 176.094 -0.238 0.000 1.047 93 V CA 0.006 62.181 62.300 -0.207 0.000 1.003 93 V CB -0.236 31.501 31.823 -0.144 0.000 1.037 93 V HN -0.018 nan 8.190 nan 0.000 0.480 94 L N 6.951 128.051 121.223 -0.205 0.000 2.281 94 L HA 0.508 4.849 4.340 0.001 0.000 0.285 94 L C 0.123 176.878 176.870 -0.192 0.000 1.074 94 L CA -0.043 54.687 54.840 -0.184 0.000 0.817 94 L CB 0.422 42.461 42.059 -0.033 0.000 1.168 94 L HN 0.926 nan 8.230 nan 0.000 0.434 95 N N 1.471 119.837 118.700 -0.557 0.000 3.046 95 N HA 0.147 4.888 4.740 0.001 0.000 0.243 95 N C 0.118 174.908 175.510 -1.200 0.000 1.452 95 N CA -0.923 51.733 53.050 -0.656 0.000 0.882 95 N CB 0.398 38.742 38.487 -0.237 0.000 1.425 95 N HN 0.307 nan 8.380 nan 0.000 0.517 96 F N 0.023 119.393 119.950 -0.966 0.000 2.095 96 F HA -0.217 4.311 4.527 0.001 0.000 0.298 96 F C 2.145 177.682 175.800 -0.438 0.000 1.104 96 F CA 1.793 59.440 58.000 -0.589 0.000 1.232 96 F CB 0.256 39.215 39.000 -0.068 0.000 0.987 96 F HN 0.826 nan 8.300 nan 0.000 0.475 97 E N 0.484 120.524 120.200 -0.267 0.000 2.058 97 E HA -0.277 4.074 4.350 0.001 0.000 0.194 97 E C 1.748 178.199 176.600 -0.247 0.000 0.997 97 E CA 1.611 57.823 56.400 -0.314 0.000 0.801 97 E CB -0.162 29.408 29.700 -0.218 0.000 0.746 97 E HN 0.346 nan 8.360 nan 0.000 0.450 98 N N 0.353 118.898 118.700 -0.260 0.000 2.223 98 N HA -0.118 4.623 4.740 0.001 0.000 0.185 98 N C 1.518 176.895 175.510 -0.222 0.000 1.016 98 N CA 1.205 54.118 53.050 -0.229 0.000 0.863 98 N CB -0.402 37.939 38.487 -0.243 0.000 0.983 98 N HN 0.284 nan 8.380 nan 0.000 0.429 99 A N 1.330 123.977 122.820 -0.288 0.000 1.898 99 A HA -0.088 4.233 4.320 0.001 0.000 0.216 99 A C 2.218 179.806 177.584 0.005 0.000 1.181 99 A CA 1.027 52.934 52.037 -0.216 0.000 0.620 99 A CB -0.302 18.540 19.000 -0.264 0.000 0.819 99 A HN 0.214 nan 8.150 nan 0.000 0.442 100 R N -0.598 119.935 120.500 0.055 0.000 2.075 100 R HA -0.011 4.330 4.340 0.001 0.000 0.232 100 R C 2.016 178.275 176.300 -0.068 0.000 1.126 100 R CA 1.324 57.464 56.100 0.066 0.000 0.963 100 R CB -0.530 29.670 30.300 -0.167 0.000 0.858 100 R HN 0.489 nan 8.270 nan 0.000 0.435 101 L N 0.242 121.386 121.223 -0.133 0.000 2.083 101 L HA -0.135 4.206 4.340 0.001 0.000 0.209 101 L C 2.633 179.336 176.870 -0.278 0.000 1.083 101 L CA 1.084 55.767 54.840 -0.261 0.000 0.752 101 L CB -0.491 41.462 42.059 -0.177 0.000 0.899 101 L HN 0.240 nan 8.230 nan 0.000 0.433 102 A N 0.095 122.814 122.820 -0.167 0.000 1.969 102 A HA -0.082 4.238 4.320 0.001 0.000 0.218 102 A C 2.384 179.899 177.584 -0.115 0.000 1.169 102 A CA 1.504 53.474 52.037 -0.111 0.000 0.635 102 A CB -1.043 17.921 19.000 -0.059 0.000 0.810 102 A HN 0.435 nan 8.150 nan 0.000 0.445 103 G N -0.501 108.227 108.800 -0.120 0.000 2.418 103 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 103 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 103 G C 1.483 176.177 174.900 -0.345 0.000 1.158 103 G CA 1.022 46.047 45.100 -0.124 0.000 0.771 103 G HN 0.637 nan 8.290 nan 0.000 0.545 104 E N 0.487 120.312 120.200 -0.626 0.000 2.077 104 E HA -0.076 4.275 4.350 0.001 0.000 0.193 104 E C 2.792 179.266 176.600 -0.209 0.000 0.989 104 E CA 0.944 56.920 56.400 -0.706 0.000 0.800 104 E CB -0.212 28.644 29.700 -1.407 0.000 0.746 104 E HN 0.335 nan 8.360 nan 0.000 0.452 105 A N 0.247 122.923 122.820 -0.241 0.000 1.933 105 A HA -0.156 4.165 4.320 0.001 0.000 0.218 105 A C 2.344 179.974 177.584 0.078 0.000 1.175 105 A CA 1.953 53.924 52.037 -0.109 0.000 0.628 105 A CB -0.822 18.105 19.000 -0.121 0.000 0.814 105 A HN 0.309 nan 8.150 nan 0.000 0.444 106 T N -1.654 112.950 114.554 0.082 0.000 2.821 106 T HA -0.157 4.194 4.350 0.001 0.000 0.267 106 T C 1.485 176.378 174.700 0.321 0.000 1.046 106 T CA 1.288 63.491 62.100 0.172 0.000 1.139 106 T CB -0.293 68.673 68.868 0.164 0.000 0.871 106 T HN 0.680 nan 8.240 nan 0.000 0.454 107 W N 0.788 122.151 121.300 0.104 0.000 2.388 107 W HA 0.095 4.756 4.660 0.002 0.000 0.294 107 W C 1.932 178.533 176.519 0.137 0.000 1.212 107 W CA -0.264 57.153 57.345 0.120 0.000 1.271 107 W CB -1.215 28.353 29.460 0.179 0.000 1.126 107 W HN 0.389 nan 8.180 nan 0.000 0.535 108 Y N -0.175 120.261 120.300 0.227 0.000 2.181 108 Y HA -0.215 4.336 4.550 0.001 0.000 0.288 108 Y C 2.591 178.532 175.900 0.069 0.000 1.146 108 Y CA 1.826 60.002 58.100 0.126 0.000 1.164 108 Y CB -0.859 37.651 38.460 0.083 0.000 0.982 108 Y HN -0.107 nan 8.280 nan 0.000 0.515 109 A N 0.079 123.034 122.820 0.226 0.000 1.877 109 A HA -0.208 4.113 4.320 0.001 0.000 0.216 109 A C 2.373 179.987 177.584 0.051 0.000 1.186 109 A CA 1.875 53.981 52.037 0.115 0.000 0.620 109 A CB -1.290 17.774 19.000 0.106 0.000 0.822 109 A HN 0.437 nan 8.150 nan 0.000 0.443 110 A N -0.450 122.397 122.820 0.046 0.000 1.933 110 A HA -0.143 4.178 4.320 0.001 0.000 0.218 110 A C 1.962 179.513 177.584 -0.055 0.000 1.175 110 A CA 2.125 54.134 52.037 -0.046 0.000 0.628 110 A CB -0.476 18.476 19.000 -0.081 0.000 0.814 110 A HN 0.583 nan 8.150 nan 0.000 0.444 111 E N 0.257 120.439 120.200 -0.029 0.000 2.077 111 E HA -0.132 4.219 4.350 0.001 0.000 0.193 111 E C 1.701 178.297 176.600 -0.008 0.000 0.989 111 E CA 1.406 57.796 56.400 -0.016 0.000 0.800 111 E CB -0.339 29.326 29.700 -0.057 0.000 0.746 111 E HN 0.645 nan 8.360 nan 0.000 0.452 112 I N 0.114 120.669 120.570 -0.025 0.000 2.252 112 I HA -0.230 3.941 4.170 0.001 0.000 0.245 112 I C 2.215 178.305 176.117 -0.046 0.000 1.102 112 I CA 0.903 62.176 61.300 -0.045 0.000 1.385 112 I CB -0.229 37.759 38.000 -0.020 0.000 1.064 112 I HN 0.175 nan 8.210 nan 0.000 0.414 113 I N 0.407 120.951 120.570 -0.044 0.000 2.208 113 I HA -0.270 3.901 4.170 0.001 0.000 0.245 113 I C 2.566 178.704 176.117 0.036 0.000 1.097 113 I CA 1.256 62.524 61.300 -0.055 0.000 1.363 113 I CB -0.375 37.575 38.000 -0.083 0.000 1.051 113 I HN 0.227 nan 8.210 nan 0.000 0.413 114 E N 0.873 121.127 120.200 0.090 0.000 2.072 114 E HA -0.176 4.174 4.350 0.001 0.000 0.191 114 E C 2.361 179.146 176.600 0.309 0.000 0.985 114 E CA 1.418 57.987 56.400 0.282 0.000 0.801 114 E CB -0.322 29.583 29.700 0.341 0.000 0.750 114 E HN 0.490 nan 8.360 nan 0.000 0.452 115 A N 1.217 124.046 122.820 0.015 0.000 1.940 115 A HA -0.153 4.167 4.320 0.001 0.000 0.219 115 A C 2.381 179.919 177.584 -0.075 0.000 1.176 115 A CA 1.151 53.005 52.037 -0.305 0.000 0.631 115 A CB -0.691 18.043 19.000 -0.444 0.000 0.814 115 A HN 0.185 nan 8.150 nan 0.000 0.446 116 L N -1.458 119.754 121.223 -0.019 0.000 2.093 116 L HA -0.139 4.201 4.340 0.001 0.000 0.208 116 L C 2.830 179.731 176.870 0.053 0.000 1.085 116 L CA 1.217 56.056 54.840 -0.001 0.000 0.755 116 L CB -0.457 41.592 42.059 -0.017 0.000 0.904 116 L HN 0.343 nan 8.230 nan 0.000 0.435 117 R N -0.794 119.774 120.500 0.114 0.000 2.096 117 R HA -0.175 4.166 4.340 0.001 0.000 0.235 117 R C 2.051 178.395 176.300 0.073 0.000 1.127 117 R CA 1.472 57.637 56.100 0.110 0.000 0.968 117 R CB -0.322 30.076 30.300 0.163 0.000 0.861 117 R HN 0.287 nan 8.270 nan 0.000 0.440 118 Y N 0.648 120.983 120.300 0.058 0.000 2.680 118 Y HA -0.069 4.482 4.550 0.001 0.000 0.303 118 Y C 1.800 177.728 175.900 0.047 0.000 1.166 118 Y CA 0.431 58.573 58.100 0.070 0.000 1.344 118 Y CB 0.012 38.466 38.460 -0.011 0.000 1.002 118 Y HN 0.063 nan 8.280 nan 0.000 0.537 119 L N -0.441 120.824 121.223 0.071 0.000 2.275 119 L HA -0.183 4.157 4.340 0.001 0.000 0.215 119 L C 1.682 178.547 176.870 -0.008 0.000 1.119 119 L CA 1.047 55.872 54.840 -0.025 0.000 0.790 119 L CB -0.167 41.786 42.059 -0.177 0.000 0.919 119 L HN 0.045 nan 8.230 nan 0.000 0.443 120 K N -0.702 119.709 120.400 0.018 0.000 2.374 120 K HA 0.076 4.396 4.320 0.001 0.000 0.196 120 K C -0.098 176.505 176.600 0.004 0.000 1.023 120 K CA -0.108 56.183 56.287 0.006 0.000 1.103 120 K CB -0.206 32.295 32.500 0.000 0.000 0.848 120 K HN 0.119 nan 8.250 nan 0.000 0.528 121 Y N 1.699 121.944 120.300 -0.092 0.000 2.309 121 Y HA 0.175 4.725 4.550 0.002 0.000 0.327 121 Y C -0.336 175.556 175.900 -0.014 0.000 1.172 121 Y CA 0.084 58.126 58.100 -0.096 0.000 1.280 121 Y CB 0.680 39.074 38.460 -0.110 0.000 1.234 121 Y HN -0.215 nan 8.280 nan 0.000 0.512 122 K N 7.209 127.053 120.400 -0.927 0.000 2.469 122 K HA 0.249 4.570 4.320 0.001 0.000 0.254 122 K C -2.145 173.884 176.600 -0.951 0.000 0.939 122 K CA -1.985 53.908 56.287 -0.656 0.000 0.812 122 K CB 2.387 34.704 32.500 -0.305 0.000 1.301 122 K HN 0.345 nan 8.250 nan 0.000 0.433 123 P HA -0.231 nan 4.420 nan 0.000 0.217 123 P C 0.208 177.407 177.300 -0.167 0.000 1.148 123 P CA 1.747 64.733 63.100 -0.189 0.000 0.828 123 P CB 0.183 31.873 31.700 -0.018 0.000 0.783 124 D N -0.936 119.358 120.400 -0.177 0.000 2.305 124 D HA -0.048 4.593 4.640 0.001 0.000 0.206 124 D C 0.455 176.677 176.300 -0.131 0.000 0.974 124 D CA 0.460 54.393 54.000 -0.111 0.000 0.871 124 D CB -0.472 40.280 40.800 -0.080 0.000 0.947 124 D HN 0.226 nan 8.370 nan 0.000 0.516 125 E N 1.446 121.508 120.200 -0.229 0.000 2.795 125 E HA 0.230 4.581 4.350 0.001 0.000 0.226 125 E C -2.484 173.967 176.600 -0.248 0.000 1.088 125 E CA -2.007 54.279 56.400 -0.190 0.000 0.812 125 E CB 1.645 31.252 29.700 -0.155 0.000 1.328 125 E HN 0.240 nan 8.360 nan 0.000 0.410 126 P HA 0.030 nan 4.420 nan 0.000 0.272 126 P C 0.768 178.084 177.300 0.026 0.000 1.230 126 P CA -0.191 62.946 63.100 0.062 0.000 0.788 126 P CB 1.430 33.241 31.700 0.185 0.000 0.949 127 L N 0.011 121.257 121.223 0.038 0.000 2.093 127 L HA -0.004 4.336 4.340 0.001 0.000 0.208 127 L C 1.134 177.976 176.870 -0.046 0.000 1.085 127 L CA 1.320 56.129 54.840 -0.052 0.000 0.755 127 L CB -0.532 41.441 42.059 -0.143 0.000 0.904 127 L HN 0.304 nan 8.230 nan 0.000 0.435 128 L N -0.414 120.808 121.223 -0.000 0.000 2.370 128 L HA 0.479 4.820 4.340 0.001 0.000 0.266 128 L C -2.391 174.526 176.870 0.079 0.000 1.002 128 L CA -1.879 52.931 54.840 -0.050 0.000 0.818 128 L CB 2.266 44.275 42.059 -0.083 0.000 1.325 128 L HN -0.217 nan 8.230 nan 0.000 0.418 129 P HA 0.414 nan 4.420 nan 0.000 0.280 129 P C -2.814 174.701 177.300 0.359 0.000 1.272 129 P CA -2.153 61.061 63.100 0.190 0.000 0.819 129 P CB 0.425 32.210 31.700 0.141 0.000 1.122 130 P HA 0.096 nan 4.420 nan 0.000 0.269 130 P C -1.524 175.932 177.300 0.260 0.000 1.209 130 P CA -0.776 62.462 63.100 0.230 0.000 0.776 130 P CB -0.562 31.226 31.700 0.146 0.000 0.876 131 P HA -0.015 nan 4.420 nan 0.000 0.249 131 P C -0.087 177.233 177.300 0.034 0.000 1.229 131 P CA 0.268 63.372 63.100 0.006 0.000 0.788 131 P CB 0.290 31.909 31.700 -0.136 0.000 1.072 132 W N 1.786 123.132 121.300 0.076 0.000 2.209 132 W HA -0.001 4.660 4.660 0.001 0.000 0.344 132 W C 1.634 178.208 176.519 0.091 0.000 1.285 132 W CA 1.049 58.446 57.345 0.087 0.000 1.267 132 W CB 0.272 29.785 29.460 0.088 0.000 1.167 132 W HN 0.064 nan 8.180 nan 0.000 0.574 133 T N -0.370 114.362 114.554 0.297 0.000 3.038 133 T HA 0.315 4.666 4.350 0.001 0.000 0.244 133 T C 1.309 176.088 174.700 0.132 0.000 1.016 133 T CA 0.730 62.930 62.100 0.167 0.000 1.098 133 T CB 0.301 69.207 68.868 0.064 0.000 0.954 133 T HN 0.797 nan 8.240 nan 0.000 0.469 134 G N 2.062 110.964 108.800 0.169 0.000 2.547 134 G HA2 -0.236 3.725 3.960 0.001 0.000 0.271 134 G HA3 -0.236 3.725 3.960 0.001 0.000 0.271 134 G C -0.255 174.423 174.900 -0.369 0.000 1.209 134 G CA -0.123 45.026 45.100 0.081 0.000 0.959 134 G HN 0.826 nan 8.290 nan 0.000 0.563 135 F N 1.525 120.948 119.950 -0.878 0.000 2.572 135 F HA 0.549 5.077 4.527 0.001 0.000 0.370 135 F C 0.977 176.483 175.800 -0.490 0.000 1.103 135 F CA -0.298 57.034 58.000 -1.113 0.000 1.286 135 F CB 0.204 38.366 39.000 -1.398 0.000 1.105 135 F HN 0.407 nan 8.300 nan 0.000 0.583 136 I N 6.322 126.209 120.570 -1.139 0.000 2.312 136 I HA 0.288 4.459 4.170 0.001 0.000 0.290 136 I C 0.922 176.481 176.117 -0.930 0.000 1.008 136 I CA -0.608 60.243 61.300 -0.748 0.000 1.226 136 I CB 0.738 38.447 38.000 -0.486 0.000 1.371 136 I HN 0.763 nan 8.210 nan 0.000 0.468 137 G N 3.638 112.174 108.800 -0.441 0.000 2.630 137 G HA2 -0.033 3.928 3.960 0.001 0.000 0.236 137 G HA3 -0.033 3.928 3.960 0.001 0.000 0.236 137 G C 0.488 175.251 174.900 -0.229 0.000 1.248 137 G CA -0.270 44.701 45.100 -0.214 0.000 0.844 137 G HN 0.668 nan 8.290 nan 0.000 0.588 138 D N 1.467 121.813 120.400 -0.089 0.000 2.133 138 D HA -0.090 4.551 4.640 0.001 0.000 0.195 138 D C 0.008 176.275 176.300 -0.055 0.000 0.997 138 D CA 1.304 55.257 54.000 -0.078 0.000 0.840 138 D CB -0.875 39.960 40.800 0.059 0.000 0.947 138 D HN 0.256 nan 8.370 nan 0.000 0.452 139 P HA -0.111 nan 4.420 nan 0.000 0.217 139 P C 1.574 178.802 177.300 -0.120 0.000 1.148 139 P CA 0.729 63.818 63.100 -0.019 0.000 0.828 139 P CB 0.154 31.816 31.700 -0.062 0.000 0.783 140 V N -0.854 118.979 119.914 -0.136 0.000 2.323 140 V HA -0.166 3.955 4.120 0.001 0.000 0.244 140 V C 2.435 178.491 176.094 -0.063 0.000 1.041 140 V CA 1.519 63.751 62.300 -0.113 0.000 1.025 140 V CB -1.197 30.603 31.823 -0.038 0.000 0.656 140 V HN -0.042 nan 8.190 nan 0.000 0.451 141 V N 0.304 120.090 119.914 -0.213 0.000 2.287 141 V HA -0.303 3.818 4.120 0.001 0.000 0.248 141 V C 2.594 178.699 176.094 0.018 0.000 1.053 141 V CA 2.258 64.390 62.300 -0.281 0.000 1.027 141 V CB -0.856 30.604 31.823 -0.605 0.000 0.646 141 V HN 0.480 nan 8.190 nan 0.000 0.447 142 R N -0.418 120.067 120.500 -0.026 0.000 2.090 142 R HA -0.109 4.231 4.340 0.001 0.000 0.228 142 R C 2.531 178.797 176.300 -0.056 0.000 1.110 142 R CA 1.310 57.446 56.100 0.061 0.000 0.973 142 R CB -0.413 29.884 30.300 -0.005 0.000 0.869 142 R HN 0.462 nan 8.270 nan 0.000 0.440 143 R N 0.475 120.849 120.500 -0.210 0.000 2.103 143 R HA -0.152 4.189 4.340 0.001 0.000 0.242 143 R C 0.847 176.855 176.300 -0.487 0.000 1.142 143 R CA 1.614 57.452 56.100 -0.436 0.000 0.960 143 R CB -0.077 29.800 30.300 -0.706 0.000 0.858 143 R HN 0.138 nan 8.270 nan 0.000 0.439 144 F N -0.414 119.520 119.950 -0.027 0.000 2.693 144 F HA 0.335 4.863 4.527 0.001 0.000 0.303 144 F C 1.949 177.646 175.800 -0.172 0.000 1.097 144 F CA 0.181 58.139 58.000 -0.070 0.000 1.330 144 F CB 0.160 39.159 39.000 -0.001 0.000 1.067 144 F HN 0.127 nan 8.300 nan 0.000 0.565 145 G N 0.475 109.217 108.800 -0.097 0.000 2.418 145 G HA2 -0.269 3.692 3.960 0.001 0.000 0.217 145 G HA3 -0.269 3.692 3.960 0.001 0.000 0.217 145 G C 1.747 176.298 174.900 -0.581 0.000 1.158 145 G CA 0.677 45.481 45.100 -0.493 0.000 0.771 145 G HN 0.316 nan 8.290 nan 0.000 0.545 146 I N 0.435 120.794 120.570 -0.352 0.000 2.530 146 I HA -0.046 4.124 4.170 0.001 0.000 0.257 146 I C 2.356 178.313 176.117 -0.267 0.000 1.179 146 I CA 1.210 62.335 61.300 -0.293 0.000 1.440 146 I CB -0.011 37.887 38.000 -0.170 0.000 1.087 146 I HN 0.061 nan 8.210 nan 0.000 0.440 147 K N -0.925 119.347 120.400 -0.213 0.000 2.361 147 K HA 0.071 4.392 4.320 0.001 0.000 0.196 147 K C 1.908 178.328 176.600 -0.299 0.000 1.039 147 K CA 0.690 56.876 56.287 -0.169 0.000 1.001 147 K CB 0.073 32.540 32.500 -0.055 0.000 0.795 147 K HN 0.343 nan 8.250 nan 0.000 0.495 148 M N 0.434 119.734 119.600 -0.500 0.000 2.248 148 M HA -0.108 4.372 4.480 0.001 0.000 0.265 148 M C 2.223 177.852 176.300 -1.118 0.000 1.079 148 M CA 1.026 55.871 55.300 -0.758 0.000 1.150 148 M CB -0.182 31.817 32.600 -1.003 0.000 1.366 148 M HN -0.007 nan 8.290 nan 0.000 0.433 149 V N -0.179 119.097 119.914 -1.062 0.000 2.469 149 V HA -0.210 3.911 4.120 0.001 0.000 0.251 149 V C 1.237 176.966 176.094 -0.607 0.000 1.064 149 V CA 2.236 64.091 62.300 -0.742 0.000 1.066 149 V CB -1.115 30.441 31.823 -0.445 0.000 0.667 149 V HN 0.589 nan 8.190 nan 0.000 0.461 150 D N -3.026 117.083 120.400 -0.485 0.000 2.440 150 D HA 0.020 4.661 4.640 0.001 0.000 0.216 150 D C 0.627 176.879 176.300 -0.080 0.000 1.150 150 D CA -0.593 53.270 54.000 -0.230 0.000 0.832 150 D CB -0.819 39.929 40.800 -0.087 0.000 0.992 150 D HN 0.698 nan 8.370 nan 0.000 0.502 151 W N 0.523 121.815 121.300 -0.015 0.000 4.141 151 W HA -0.295 4.366 4.660 0.001 0.000 0.336 151 W C 1.512 177.993 176.519 -0.064 0.000 1.258 151 W CA 0.655 57.980 57.345 -0.033 0.000 0.747 151 W CB -2.811 26.644 29.460 -0.009 0.000 2.338 151 W HN 0.186 nan 8.180 nan 0.000 1.410 152 T N -2.603 111.973 114.554 0.037 0.000 2.929 152 T HA -0.011 4.340 4.350 0.001 0.000 0.271 152 T C 0.682 175.364 174.700 -0.030 0.000 1.085 152 T CA 1.057 63.182 62.100 0.041 0.000 1.125 152 T CB 0.211 69.112 68.868 0.054 0.000 0.874 152 T HN 0.285 nan 8.240 nan 0.000 0.494 153 I N 3.546 124.071 120.570 -0.074 0.000 2.388 153 I HA 0.253 4.423 4.170 0.001 0.000 0.281 153 I C -1.499 174.579 176.117 -0.066 0.000 1.046 153 I CA -2.599 58.610 61.300 -0.151 0.000 1.187 153 I CB 2.234 40.128 38.000 -0.176 0.000 1.351 153 I HN -0.024 nan 8.210 nan 0.000 0.472 154 P HA 0.026 nan 4.420 nan 0.000 0.223 154 P C 0.619 177.806 177.300 -0.188 0.000 1.151 154 P CA 0.856 63.870 63.100 -0.144 0.000 0.787 154 P CB 0.885 32.365 31.700 -0.368 0.000 0.788 155 G N -1.009 107.524 108.800 -0.445 0.000 2.341 155 G HA2 0.374 4.335 3.960 0.001 0.000 0.299 155 G HA3 0.374 4.335 3.960 0.001 0.000 0.299 155 G C -2.066 172.771 174.900 -0.106 0.000 1.274 155 G CA -0.605 44.392 45.100 -0.171 0.000 0.853 155 G HN -0.050 nan 8.290 nan 0.000 0.493 156 E N -0.759 119.440 120.200 -0.003 0.000 2.266 156 E HA 0.712 5.062 4.350 0.001 0.000 0.268 156 E C -0.344 176.043 176.600 -0.354 0.000 0.879 156 E CA -0.431 55.949 56.400 -0.034 0.000 0.762 156 E CB 2.194 31.902 29.700 0.014 0.000 1.199 156 E HN 0.930 nan 8.360 nan 0.000 0.422 157 A N 3.255 125.889 122.820 -0.309 0.000 2.304 157 A HA 0.620 4.941 4.320 0.001 0.000 0.314 157 A C -0.655 176.823 177.584 -0.177 0.000 1.187 157 A CA -0.635 51.036 52.037 -0.609 0.000 0.810 157 A CB 0.205 18.927 19.000 -0.463 0.000 1.183 157 A HN 0.653 nan 8.150 nan 0.000 0.487 158 I N 4.229 124.715 120.570 -0.140 0.000 2.307 158 I HA 0.249 4.420 4.170 0.001 0.000 0.287 158 I C -0.609 175.540 176.117 0.054 0.000 1.054 158 I CA -0.061 61.257 61.300 0.029 0.000 1.218 158 I CB 0.737 38.731 38.000 -0.010 0.000 1.398 158 I HN 0.507 nan 8.210 nan 0.000 0.475 159 I N 7.209 127.820 120.570 0.068 0.000 2.312 159 I HA 0.277 4.447 4.170 0.001 0.000 0.291 159 I C -0.530 175.647 176.117 0.100 0.000 1.031 159 I CA -0.486 60.861 61.300 0.077 0.000 1.293 159 I CB 1.264 39.294 38.000 0.050 0.000 1.403 159 I HN 0.390 nan 8.210 nan 0.000 0.484 160 L N 7.297 128.589 121.223 0.115 0.000 2.381 160 L HA 0.934 5.275 4.340 0.001 0.000 0.274 160 L C 0.093 177.079 176.870 0.193 0.000 0.988 160 L CA 0.419 55.333 54.840 0.122 0.000 0.824 160 L CB 1.380 43.464 42.059 0.043 0.000 1.263 160 L HN 0.830 nan 8.230 nan 0.000 0.410 161 G N 3.921 112.838 108.800 0.194 0.000 2.443 161 G HA2 -0.081 3.880 3.960 0.001 0.000 0.209 161 G HA3 -0.081 3.880 3.960 0.001 0.000 0.209 161 G C -0.984 174.026 174.900 0.184 0.000 1.176 161 G CA -0.153 45.084 45.100 0.228 0.000 1.074 161 G HN 0.824 nan 8.290 nan 0.000 0.577 162 R N 0.090 120.698 120.500 0.181 0.000 2.574 162 R HA 0.679 5.020 4.340 0.001 0.000 0.288 162 R C 0.294 176.688 176.300 0.156 0.000 1.004 162 R CA 0.092 56.280 56.100 0.146 0.000 0.895 162 R CB 1.426 31.799 30.300 0.122 0.000 1.191 162 R HN 1.580 nan 8.270 nan 0.000 0.444 163 A N 2.898 125.813 122.820 0.158 0.000 2.332 163 A HA 0.165 4.486 4.320 0.001 0.000 0.258 163 A C 0.948 178.595 177.584 0.105 0.000 1.087 163 A CA -0.236 51.933 52.037 0.219 0.000 0.802 163 A CB 0.489 19.638 19.000 0.249 0.000 1.042 163 A HN 0.997 nan 8.150 nan 0.000 0.489 164 K N -0.119 120.299 120.400 0.030 0.000 2.218 164 K HA -0.162 4.159 4.320 0.001 0.000 0.205 164 K C -0.302 176.232 176.600 -0.110 0.000 1.046 164 K CA 1.839 58.063 56.287 -0.105 0.000 0.933 164 K CB -0.502 31.821 32.500 -0.294 0.000 0.728 164 K HN 0.858 nan 8.250 nan 0.000 0.454 165 D N -2.559 117.769 120.400 -0.120 0.000 2.685 165 D HA 0.134 4.775 4.640 0.001 0.000 0.236 165 D C -0.243 176.031 176.300 -0.044 0.000 1.233 165 D CA -0.594 53.361 54.000 -0.074 0.000 0.760 165 D CB 1.262 42.004 40.800 -0.097 0.000 1.410 165 D HN -0.162 nan 8.370 nan 0.000 0.439 166 S N 0.221 115.911 115.700 -0.018 0.000 2.365 166 S HA -0.196 4.275 4.470 0.001 0.000 0.225 166 S C 1.610 176.205 174.600 -0.009 0.000 1.039 166 S CA 1.028 59.225 58.200 -0.003 0.000 1.033 166 S CB -0.267 62.931 63.200 -0.003 0.000 0.887 166 S HN 0.476 nan 8.310 nan 0.000 0.447 167 K N 1.838 122.223 120.400 -0.024 0.000 2.032 167 K HA 0.009 4.330 4.320 0.001 0.000 0.209 167 K C 2.414 179.005 176.600 -0.015 0.000 1.048 167 K CA 1.395 57.669 56.287 -0.023 0.000 0.927 167 K CB -1.021 31.460 32.500 -0.032 0.000 0.712 167 K HN 0.388 nan 8.250 nan 0.000 0.441 168 A N 1.598 124.393 122.820 -0.043 0.000 1.908 168 A HA -0.175 4.145 4.320 0.001 0.000 0.218 168 A C 2.263 179.909 177.584 0.104 0.000 1.181 168 A CA 1.523 53.546 52.037 -0.023 0.000 0.627 168 A CB -0.637 18.212 19.000 -0.252 0.000 0.818 168 A HN 0.236 nan 8.150 nan 0.000 0.445 169 L N -0.305 120.979 121.223 0.101 0.000 2.046 169 L HA -0.035 4.306 4.340 0.001 0.000 0.208 169 L C 2.683 179.589 176.870 0.059 0.000 1.077 169 L CA 2.212 57.127 54.840 0.125 0.000 0.747 169 L CB -0.842 41.278 42.059 0.101 0.000 0.896 169 L HN 0.342 nan 8.230 nan 0.000 0.432 170 A N -0.530 122.308 122.820 0.029 0.000 1.940 170 A HA -0.288 4.033 4.320 0.001 0.000 0.219 170 A C 2.461 180.053 177.584 0.015 0.000 1.176 170 A CA 2.069 54.110 52.037 0.007 0.000 0.631 170 A CB -0.663 18.334 19.000 -0.006 0.000 0.814 170 A HN 0.540 nan 8.150 nan 0.000 0.446 171 K N -0.299 120.117 120.400 0.027 0.000 2.026 171 K HA -0.092 4.229 4.320 0.001 0.000 0.208 171 K C 1.842 178.460 176.600 0.030 0.000 1.048 171 K CA 1.648 57.952 56.287 0.029 0.000 0.929 171 K CB -0.310 32.211 32.500 0.035 0.000 0.713 171 K HN 0.492 nan 8.250 nan 0.000 0.439 172 I N 0.769 121.365 120.570 0.043 0.000 2.226 172 I HA -0.254 3.917 4.170 0.001 0.000 0.245 172 I C 2.169 178.276 176.117 -0.016 0.000 1.100 172 I CA 0.868 62.176 61.300 0.013 0.000 1.374 172 I CB -0.066 37.945 38.000 0.018 0.000 1.057 172 I HN 0.018 nan 8.210 nan 0.000 0.413 173 V N 0.982 120.889 119.914 -0.012 0.000 2.427 173 V HA -0.281 3.839 4.120 0.001 0.000 0.248 173 V C 2.506 178.592 176.094 -0.015 0.000 1.051 173 V CA 1.710 63.988 62.300 -0.036 0.000 1.048 173 V CB -0.714 31.081 31.823 -0.046 0.000 0.666 173 V HN 0.428 nan 8.190 nan 0.000 0.456 174 K N 0.361 120.771 120.400 0.016 0.000 2.026 174 K HA -0.270 4.051 4.320 0.001 0.000 0.208 174 K C 2.228 178.869 176.600 0.068 0.000 1.048 174 K CA 2.130 58.453 56.287 0.059 0.000 0.929 174 K CB -0.138 32.390 32.500 0.048 0.000 0.713 174 K HN 0.602 nan 8.250 nan 0.000 0.439 175 E N 0.665 120.886 120.200 0.036 0.000 2.051 175 E HA -0.192 4.159 4.350 0.001 0.000 0.192 175 E C 2.224 178.846 176.600 0.036 0.000 0.991 175 E CA 1.072 57.494 56.400 0.037 0.000 0.799 175 E CB -0.080 29.625 29.700 0.008 0.000 0.748 175 E HN 0.333 nan 8.360 nan 0.000 0.449 176 L N 0.160 121.368 121.223 -0.026 0.000 2.042 176 L HA -0.209 4.132 4.340 0.001 0.000 0.210 176 L C 2.774 179.691 176.870 0.077 0.000 1.076 176 L CA 1.235 56.042 54.840 -0.056 0.000 0.749 176 L CB -0.290 41.662 42.059 -0.178 0.000 0.893 176 L HN 0.298 nan 8.230 nan 0.000 0.432 177 M N -0.916 118.687 119.600 0.006 0.000 2.296 177 M HA -0.085 4.396 4.480 0.001 0.000 0.265 177 M C 2.196 178.503 176.300 0.013 0.000 1.064 177 M CA 1.503 56.758 55.300 -0.075 0.000 1.109 177 M CB -0.633 31.871 32.600 -0.159 0.000 1.396 177 M HN 0.338 nan 8.290 nan 0.000 0.430 178 G N 0.068 108.945 108.800 0.129 0.000 2.443 178 G HA2 -0.135 3.826 3.960 0.001 0.000 0.219 178 G HA3 -0.135 3.826 3.960 0.001 0.000 0.219 178 G C 1.403 176.404 174.900 0.169 0.000 1.131 178 G CA 0.365 45.577 45.100 0.187 0.000 0.775 178 G HN 0.399 nan 8.290 nan 0.000 0.547 179 M N 0.190 119.904 119.600 0.190 0.000 2.428 179 M HA 0.259 4.739 4.480 0.001 0.000 0.239 179 M C 1.669 178.047 176.300 0.131 0.000 1.121 179 M CA 0.563 56.000 55.300 0.227 0.000 1.019 179 M CB 0.706 33.548 32.600 0.403 0.000 1.485 179 M HN 0.301 nan 8.290 nan 0.000 0.484 180 G N 0.928 109.757 108.800 0.048 0.000 2.143 180 G HA2 -0.254 3.707 3.960 0.001 0.000 0.249 180 G HA3 -0.254 3.707 3.960 0.001 0.000 0.249 180 G C -0.093 174.713 174.900 -0.157 0.000 0.981 180 G CA -0.473 44.561 45.100 -0.111 0.000 0.665 180 G HN 0.360 nan 8.290 nan 0.000 0.528 181 F N 0.272 120.133 119.950 -0.149 0.000 2.518 181 F HA 0.482 5.010 4.527 0.001 0.000 0.359 181 F C 1.165 176.786 175.800 -0.298 0.000 1.118 181 F CA 0.195 58.094 58.000 -0.168 0.000 1.287 181 F CB 0.805 39.730 39.000 -0.126 0.000 1.132 181 F HN 0.174 nan 8.300 nan 0.000 0.587 182 M N 5.265 124.770 119.600 -0.157 0.000 2.180 182 M HA 0.459 4.940 4.480 0.001 0.000 0.358 182 M C -1.596 174.480 176.300 -0.373 0.000 1.233 182 M CA -0.153 54.915 55.300 -0.387 0.000 1.114 182 M CB 0.436 32.842 32.600 -0.324 0.000 1.594 182 M HN 0.460 nan 8.290 nan 0.000 0.467 183 L N 5.097 125.945 121.223 -0.625 0.000 2.342 183 L HA 0.627 4.967 4.340 0.001 0.000 0.271 183 L C -1.469 174.972 176.870 -0.716 0.000 1.008 183 L CA -0.690 53.863 54.840 -0.480 0.000 0.818 183 L CB 1.839 43.687 42.059 -0.352 0.000 1.296 183 L HN 0.664 nan 8.230 nan 0.000 0.427 184 F N 2.644 122.497 119.950 -0.163 0.000 2.536 184 F HA 0.564 5.092 4.527 0.001 0.000 0.322 184 F C -0.378 175.396 175.800 -0.043 0.000 1.144 184 F CA -0.459 57.507 58.000 -0.056 0.000 0.924 184 F CB 1.721 40.687 39.000 -0.057 0.000 1.181 184 F HN 0.121 nan 8.300 nan 0.000 0.438 185 I N 3.097 123.735 120.570 0.113 0.000 2.474 185 I HA 0.535 4.706 4.170 0.001 0.000 0.294 185 I C -0.800 175.402 176.117 0.142 0.000 1.005 185 I CA -0.515 60.837 61.300 0.087 0.000 1.113 185 I CB 1.950 39.954 38.000 0.007 0.000 1.289 185 I HN 0.606 nan 8.210 nan 0.000 0.436 186 C N 5.494 124.883 119.300 0.148 0.000 2.609 186 C HA 0.666 5.127 4.460 0.001 0.000 0.313 186 C C -0.734 174.365 174.990 0.182 0.000 1.175 186 C CA 0.021 59.149 59.018 0.183 0.000 1.434 186 C CB 0.093 27.932 27.740 0.165 0.000 2.005 186 C HN 1.009 nan 8.230 nan 0.000 0.471 187 D N 2.392 122.921 120.400 0.215 0.000 3.905 187 D HA -0.151 4.489 4.640 0.001 0.000 0.274 187 D C 0.649 177.059 176.300 0.184 0.000 2.034 187 D CA 0.661 54.782 54.000 0.200 0.000 1.180 187 D CB -0.418 40.493 40.800 0.186 0.000 0.918 187 D HN 0.769 nan 8.370 nan 0.000 1.125 188 E N 0.358 120.652 120.200 0.157 0.000 2.284 188 E HA -0.115 4.236 4.350 0.001 0.000 0.200 188 E C 1.942 178.613 176.600 0.118 0.000 1.008 188 E CA 1.855 58.337 56.400 0.136 0.000 0.829 188 E CB -0.232 29.536 29.700 0.113 0.000 0.744 188 E HN 0.465 nan 8.360 nan 0.000 0.491 189 A N 0.469 123.359 122.820 0.117 0.000 1.978 189 A HA -0.199 4.122 4.320 0.001 0.000 0.220 189 A C 2.402 180.020 177.584 0.056 0.000 1.170 189 A CA 1.413 53.503 52.037 0.089 0.000 0.636 189 A CB -0.630 18.426 19.000 0.094 0.000 0.810 189 A HN 0.177 nan 8.150 nan 0.000 0.448 190 V N -0.219 119.739 119.914 0.075 0.000 2.261 190 V HA -0.258 3.862 4.120 0.001 0.000 0.246 190 V C 2.489 178.579 176.094 -0.007 0.000 1.047 190 V CA 2.440 64.747 62.300 0.012 0.000 1.015 190 V CB -0.835 31.036 31.823 0.080 0.000 0.642 190 V HN 0.586 nan 8.190 nan 0.000 0.446 191 E N -0.181 120.071 120.200 0.086 0.000 2.150 191 E HA -0.204 4.146 4.350 0.001 0.000 0.193 191 E C 2.286 178.908 176.600 0.036 0.000 0.985 191 E CA 1.034 57.484 56.400 0.084 0.000 0.814 191 E CB -0.267 29.517 29.700 0.141 0.000 0.752 191 E HN 0.641 nan 8.360 nan 0.000 0.466 192 Q N -0.057 119.765 119.800 0.037 0.000 2.050 192 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 192 Q C 2.220 178.216 176.000 -0.006 0.000 0.980 192 Q CA 1.124 56.941 55.803 0.022 0.000 0.840 192 Q CB -0.163 28.596 28.738 0.035 0.000 0.898 192 Q HN 0.310 nan 8.270 nan 0.000 0.424 193 L N 0.223 121.432 121.223 -0.025 0.000 2.056 193 L HA -0.194 4.147 4.340 0.001 0.000 0.207 193 L C 2.300 179.121 176.870 -0.081 0.000 1.078 193 L CA 0.875 55.680 54.840 -0.057 0.000 0.749 193 L CB -0.362 41.647 42.059 -0.083 0.000 0.901 193 L HN 0.256 nan 8.230 nan 0.000 0.433 194 L N -0.350 120.815 121.223 -0.096 0.000 2.083 194 L HA -0.218 4.123 4.340 0.001 0.000 0.209 194 L C 2.594 179.429 176.870 -0.058 0.000 1.083 194 L CA 1.252 56.028 54.840 -0.108 0.000 0.752 194 L CB -0.467 41.513 42.059 -0.131 0.000 0.899 194 L HN 0.356 nan 8.230 nan 0.000 0.433 195 E N 0.282 120.464 120.200 -0.029 0.000 2.153 195 E HA -0.209 4.142 4.350 0.001 0.000 0.194 195 E C 1.362 177.948 176.600 -0.023 0.000 0.988 195 E CA 0.903 57.296 56.400 -0.013 0.000 0.811 195 E CB 0.236 29.937 29.700 0.003 0.000 0.746 195 E HN 0.362 nan 8.360 nan 0.000 0.466 196 E N 0.588 120.769 120.200 -0.032 0.000 2.445 196 E HA -0.005 4.346 4.350 0.001 0.000 0.189 196 E C -0.367 176.205 176.600 -0.047 0.000 1.069 196 E CA 0.087 56.467 56.400 -0.034 0.000 0.871 196 E CB -0.239 29.443 29.700 -0.030 0.000 0.991 196 E HN 0.349 nan 8.360 nan 0.000 0.481 197 N N -0.435 118.231 118.700 -0.057 0.000 2.725 197 N HA -0.167 4.574 4.740 0.001 0.000 0.249 197 N C -0.685 174.766 175.510 -0.097 0.000 1.103 197 N CA 0.412 53.418 53.050 -0.073 0.000 0.707 197 N CB -1.242 37.211 38.487 -0.056 0.000 1.043 197 N HN -0.049 nan 8.380 nan 0.000 0.553 198 V N 0.178 120.026 119.914 -0.109 0.000 2.583 198 V HA 0.134 4.255 4.120 0.001 0.000 0.287 198 V C 0.869 176.830 176.094 -0.222 0.000 1.051 198 V CA -0.165 62.057 62.300 -0.130 0.000 1.010 198 V CB 1.378 33.135 31.823 -0.110 0.000 0.988 198 V HN 0.089 nan 8.190 nan 0.000 0.478 199 K N 5.225 125.441 120.400 -0.307 0.000 2.383 199 K HA 0.504 4.825 4.320 0.001 0.000 0.286 199 K C -0.649 175.549 176.600 -0.670 0.000 1.051 199 K CA 0.448 56.355 56.287 -0.633 0.000 0.974 199 K CB 0.126 32.010 32.500 -1.026 0.000 0.968 199 K HN 0.497 nan 8.250 nan 0.000 0.475 200 L N 1.291 122.207 121.223 -0.513 0.000 2.309 200 L HA 0.833 5.174 4.340 0.001 0.000 0.261 200 L C 0.288 177.103 176.870 -0.092 0.000 1.021 200 L CA -0.929 53.730 54.840 -0.302 0.000 0.823 200 L CB 2.372 44.263 42.059 -0.280 0.000 1.366 200 L HN 0.750 nan 8.230 nan 0.000 0.423 201 G N 0.044 108.843 108.800 -0.002 0.000 2.347 201 G HA2 0.012 3.973 3.960 0.001 0.000 0.477 201 G HA3 0.012 3.973 3.960 0.001 0.000 0.477 201 G C 0.057 175.053 174.900 0.160 0.000 1.349 201 G CA -0.615 44.560 45.100 0.125 0.000 1.000 201 G HN 0.514 nan 8.290 nan 0.000 0.605 202 I N 0.199 120.908 120.570 0.231 0.000 2.194 202 I HA -0.159 4.012 4.170 0.001 0.000 0.246 202 I C 2.110 178.377 176.117 0.250 0.000 1.093 202 I CA 1.763 63.268 61.300 0.341 0.000 1.355 202 I CB -0.123 38.026 38.000 0.247 0.000 1.046 202 I HN 0.490 nan 8.210 nan 0.000 0.413 203 D N -0.243 120.200 120.400 0.072 0.000 2.350 203 D HA -0.142 4.499 4.640 0.001 0.000 0.216 203 D C 1.250 177.301 176.300 -0.414 0.000 0.968 203 D CA 1.249 55.176 54.000 -0.121 0.000 0.894 203 D CB -0.021 40.600 40.800 -0.298 0.000 0.909 203 D HN 0.455 nan 8.370 nan 0.000 0.520 204 Y N -0.254 119.949 120.300 -0.162 0.000 2.507 204 Y HA 0.287 4.837 4.550 0.001 0.000 0.254 204 Y C 1.012 176.557 175.900 -0.591 0.000 1.171 204 Y CA -0.357 57.534 58.100 -0.348 0.000 1.238 204 Y CB -0.054 38.227 38.460 -0.297 0.000 1.148 204 Y HN -0.196 nan 8.280 nan 0.000 0.525 205 I N -0.313 119.870 120.570 -0.644 0.000 6.267 205 I HA -0.333 3.838 4.170 0.001 0.000 0.126 205 I C 0.087 175.484 176.117 -1.200 0.000 1.812 205 I CA 0.782 61.401 61.300 -1.135 0.000 2.110 205 I CB -1.616 35.694 38.000 -1.151 0.000 3.441 205 I HN 0.220 nan 8.210 nan 0.000 0.191 206 A N 1.066 123.308 122.820 -0.964 0.000 2.545 206 A HA 0.715 5.035 4.320 0.001 0.000 0.300 206 A C -0.639 176.584 177.584 -0.601 0.000 1.252 206 A CA -0.331 51.257 52.037 -0.749 0.000 0.753 206 A CB 0.287 19.032 19.000 -0.426 0.000 1.144 206 A HN 0.214 nan 8.150 nan 0.000 0.457 207 Y N 2.003 122.066 120.300 -0.395 0.000 2.425 207 Y HA 0.418 4.968 4.550 0.001 0.000 0.347 207 Y C -2.466 173.346 175.900 -0.148 0.000 0.976 207 Y CA -2.990 54.949 58.100 -0.268 0.000 1.190 207 Y CB 0.454 38.709 38.460 -0.340 0.000 1.136 207 Y HN 0.420 nan 8.280 nan 0.000 0.517 208 P HA 0.099 nan 4.420 nan 0.000 0.280 208 P C 0.214 177.616 177.300 0.171 0.000 1.386 208 P CA -0.168 62.900 63.100 -0.054 0.000 0.899 208 P CB 0.834 32.281 31.700 -0.422 0.000 1.098 209 L N 2.551 123.928 121.223 0.256 0.000 2.027 209 L HA 0.142 4.483 4.340 0.001 0.000 0.206 209 L C 1.659 178.793 176.870 0.440 0.000 1.074 209 L CA 2.141 57.182 54.840 0.337 0.000 0.745 209 L CB -1.474 40.769 42.059 0.307 0.000 0.898 209 L HN 0.645 nan 8.230 nan 0.000 0.433 210 G N -1.937 107.152 108.800 0.481 0.000 2.217 210 G HA2 -0.085 3.876 3.960 0.001 0.000 0.126 210 G HA3 -0.085 3.876 3.960 0.001 0.000 0.126 210 G C -0.887 174.216 174.900 0.339 0.000 1.293 210 G CA -0.169 45.203 45.100 0.452 0.000 1.219 210 G HN 0.330 nan 8.290 nan 0.000 0.477 211 N N -1.193 117.670 118.700 0.272 0.000 2.629 211 N HA 0.693 5.434 4.740 0.001 0.000 0.279 211 N C 0.122 175.835 175.510 0.338 0.000 1.344 211 N CA -0.244 52.968 53.050 0.269 0.000 0.789 211 N CB 2.187 40.806 38.487 0.221 0.000 1.508 211 N HN 1.028 nan 8.380 nan 0.000 0.516 212 F N 0.653 120.674 119.950 0.118 0.000 2.958 212 F HA -0.434 4.094 4.527 0.001 0.000 0.240 212 F C 2.012 177.872 175.800 0.101 0.000 1.487 212 F CA 2.397 60.462 58.000 0.108 0.000 1.873 212 F CB -1.713 37.353 39.000 0.109 0.000 0.531 212 F HN 0.699 nan 8.300 nan 0.000 0.277 213 T N -0.773 113.598 114.554 -0.306 0.000 3.025 213 T HA -0.146 4.205 4.350 0.001 0.000 0.270 213 T C 1.419 176.035 174.700 -0.140 0.000 1.126 213 T CA 1.638 63.533 62.100 -0.342 0.000 1.105 213 T CB -0.416 68.218 68.868 -0.391 0.000 0.884 213 T HN 0.589 nan 8.240 nan 0.000 0.522 214 Q N 0.176 119.996 119.800 0.034 0.000 2.439 214 Q HA 0.144 4.484 4.340 0.001 0.000 0.211 214 Q C 1.933 177.921 176.000 -0.021 0.000 0.978 214 Q CA 0.545 56.404 55.803 0.093 0.000 0.897 214 Q CB -0.604 28.323 28.738 0.315 0.000 0.956 214 Q HN 0.585 nan 8.270 nan 0.000 0.483 215 I N -0.600 119.947 120.570 -0.038 0.000 2.423 215 I HA -0.212 3.959 4.170 0.001 0.000 0.254 215 I C 1.287 177.260 176.117 -0.240 0.000 1.151 215 I CA 1.069 62.331 61.300 -0.064 0.000 1.421 215 I CB 0.017 38.001 38.000 -0.027 0.000 1.079 215 I HN 0.009 nan 8.210 nan 0.000 0.431 216 V N 0.303 119.987 119.914 -0.382 0.000 2.913 216 V HA -0.213 3.907 4.120 0.001 0.000 0.260 216 V C 2.158 177.957 176.094 -0.492 0.000 1.098 216 V CA 1.382 63.355 62.300 -0.544 0.000 1.121 216 V CB -1.606 29.926 31.823 -0.484 0.000 0.714 216 V HN 0.472 nan 8.190 nan 0.000 0.487 217 H N 0.450 119.428 119.070 -0.155 0.000 2.563 217 H HA 0.233 4.790 4.556 0.001 0.000 0.272 217 H C 2.129 177.351 175.328 -0.177 0.000 1.005 217 H CA 0.997 56.960 56.048 -0.141 0.000 1.171 217 H CB 0.003 29.731 29.762 -0.057 0.000 1.351 217 H HN 0.516 nan 8.280 nan 0.000 0.602 218 A N 0.496 123.156 122.820 -0.267 0.000 1.943 218 A HA 0.214 4.535 4.320 0.001 0.000 0.213 218 A C 2.583 179.814 177.584 -0.587 0.000 1.181 218 A CA 0.851 52.437 52.037 -0.752 0.000 0.653 218 A CB -0.353 18.163 19.000 -0.807 0.000 0.833 218 A HN 0.355 nan 8.150 nan 0.000 0.451 219 A N 1.958 124.435 122.820 -0.571 0.000 1.858 219 A HA -0.207 4.114 4.320 0.001 0.000 0.216 219 A C 1.779 179.167 177.584 -0.327 0.000 1.190 219 A CA 2.043 53.679 52.037 -0.667 0.000 0.617 219 A CB -0.939 17.129 19.000 -1.554 0.000 0.827 219 A HN 0.735 nan 8.150 nan 0.000 0.443 220 N N -1.771 116.773 118.700 -0.259 0.000 2.453 220 N HA -0.182 4.559 4.740 0.001 0.000 0.183 220 N C 1.340 176.801 175.510 -0.082 0.000 1.041 220 N CA 1.675 54.656 53.050 -0.115 0.000 0.900 220 N CB -0.609 37.893 38.487 0.025 0.000 0.961 220 N HN 0.574 nan 8.380 nan 0.000 0.443 221 Y N 0.812 120.977 120.300 -0.224 0.000 2.176 221 Y HA 0.199 4.750 4.550 0.001 0.000 0.291 221 Y C 2.539 178.393 175.900 -0.077 0.000 1.122 221 Y CA 1.371 59.369 58.100 -0.170 0.000 1.128 221 Y CB -0.807 37.605 38.460 -0.081 0.000 1.005 221 Y HN 0.123 nan 8.280 nan 0.000 0.509 222 A N 0.744 123.726 122.820 0.270 0.000 1.865 222 A HA -0.198 4.123 4.320 0.001 0.000 0.217 222 A C 2.288 179.995 177.584 0.206 0.000 1.191 222 A CA 2.109 54.324 52.037 0.298 0.000 0.623 222 A CB -1.341 17.834 19.000 0.291 0.000 0.826 222 A HN 0.547 nan 8.150 nan 0.000 0.444 223 L N -1.384 119.884 121.223 0.076 0.000 2.191 223 L HA -0.179 4.162 4.340 0.001 0.000 0.212 223 L C 2.767 179.534 176.870 -0.171 0.000 1.103 223 L CA 1.293 56.105 54.840 -0.047 0.000 0.769 223 L CB -0.526 41.414 42.059 -0.197 0.000 0.908 223 L HN 0.381 nan 8.230 nan 0.000 0.438 224 R N -0.033 120.327 120.500 -0.233 0.000 2.115 224 R HA -0.079 4.262 4.340 0.001 0.000 0.230 224 R C 2.504 178.534 176.300 -0.449 0.000 1.111 224 R CA 1.031 56.838 56.100 -0.489 0.000 0.976 224 R CB -0.312 29.666 30.300 -0.537 0.000 0.870 224 R HN 0.346 nan 8.270 nan 0.000 0.445 225 A N 0.591 123.321 122.820 -0.149 0.000 1.917 225 A HA -0.144 4.176 4.320 0.001 0.000 0.219 225 A C 2.313 179.848 177.584 -0.082 0.000 1.182 225 A CA 1.946 54.035 52.037 0.086 0.000 0.633 225 A CB -1.135 18.175 19.000 0.516 0.000 0.819 225 A HN 0.480 nan 8.150 nan 0.000 0.448 226 G N -1.028 107.590 108.800 -0.304 0.000 2.408 226 G HA2 -0.146 3.815 3.960 0.001 0.000 0.217 226 G HA3 -0.146 3.815 3.960 0.001 0.000 0.217 226 G C 1.607 176.168 174.900 -0.564 0.000 1.150 226 G CA 1.082 45.637 45.100 -0.908 0.000 0.776 226 G HN 0.492 nan 8.290 nan 0.000 0.542 227 M N -0.370 118.981 119.600 -0.416 0.000 2.288 227 M HA 0.205 4.686 4.480 0.001 0.000 0.266 227 M C 2.470 178.600 176.300 -0.284 0.000 1.072 227 M CA 0.756 55.872 55.300 -0.308 0.000 1.132 227 M CB -0.154 32.242 32.600 -0.341 0.000 1.386 227 M HN 0.220 nan 8.290 nan 0.000 0.432 228 M N -0.376 118.936 119.600 -0.479 0.000 2.136 228 M HA 0.011 4.492 4.480 0.001 0.000 0.249 228 M C 1.952 178.053 176.300 -0.332 0.000 1.146 228 M CA 1.543 56.551 55.300 -0.485 0.000 1.108 228 M CB -0.610 31.402 32.600 -0.979 0.000 1.199 228 M HN 0.026 nan 8.290 nan 0.000 0.439 229 F N 0.697 120.621 119.950 -0.044 0.000 2.095 229 F HA -0.064 4.464 4.527 0.001 0.000 0.298 229 F C 2.594 178.439 175.800 0.075 0.000 1.104 229 F CA 1.454 59.482 58.000 0.046 0.000 1.232 229 F CB -1.873 37.229 39.000 0.169 0.000 0.987 229 F HN 0.296 nan 8.300 nan 0.000 0.475 230 G N -1.028 107.844 108.800 0.120 0.000 2.471 230 G HA2 0.162 4.123 3.960 0.001 0.000 0.219 230 G HA3 0.162 4.123 3.960 0.001 0.000 0.219 230 G C 1.710 176.611 174.900 0.001 0.000 1.125 230 G CA 0.614 45.723 45.100 0.015 0.000 0.775 230 G HN 0.771 nan 8.290 nan 0.000 0.548 231 G N -0.902 107.875 108.800 -0.039 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 0.337 175.228 174.900 -0.015 0.000 1.000 231 G CA 0.309 45.409 45.100 0.000 0.000 0.718 231 G HN 0.786 nan 8.290 nan 0.000 0.519 232 V N 1.446 121.311 119.914 -0.082 0.000 2.521 232 V HA 0.275 4.396 4.120 0.001 0.000 0.286 232 V C 1.369 177.451 176.094 -0.019 0.000 1.034 232 V CA 0.467 62.738 62.300 -0.049 0.000 1.045 232 V CB 0.865 32.628 31.823 -0.101 0.000 0.974 232 V HN 0.384 nan 8.190 nan 0.000 0.480 233 T N 8.561 123.123 114.554 0.014 0.000 2.871 233 T HA 0.098 4.449 4.350 0.001 0.000 0.296 233 T C -2.226 172.496 174.700 0.036 0.000 0.998 233 T CA -0.344 61.772 62.100 0.026 0.000 1.162 233 T CB 0.304 69.190 68.868 0.029 0.000 0.947 233 T HN 0.514 nan 8.240 nan 0.000 0.536 234 P HA 0.227 nan 4.420 nan 0.000 0.264 234 P C 1.080 178.419 177.300 0.064 0.000 1.193 234 P CA 0.805 63.942 63.100 0.061 0.000 0.763 234 P CB 0.389 32.133 31.700 0.073 0.000 0.810 235 G N 2.944 111.802 108.800 0.097 0.000 2.234 235 G HA2 -0.240 3.721 3.960 0.001 0.000 0.235 235 G HA3 -0.240 3.721 3.960 0.001 0.000 0.235 235 G C 0.511 175.473 174.900 0.103 0.000 0.997 235 G CA -0.020 45.145 45.100 0.109 0.000 0.623 235 G HN 0.789 nan 8.290 nan 0.000 0.514 236 A N 1.083 123.955 122.820 0.086 0.000 3.037 236 A HA 0.645 4.966 4.320 0.001 0.000 0.272 236 A C 1.464 179.098 177.584 0.083 0.000 1.723 236 A CA 1.192 53.269 52.037 0.066 0.000 1.413 236 A CB -0.405 18.625 19.000 0.049 0.000 1.112 236 A HN 0.569 nan 8.150 nan 0.000 0.606 237 R N 0.473 121.030 120.500 0.095 0.000 2.133 237 R HA -0.213 4.128 4.340 0.001 0.000 0.245 237 R C 1.774 178.039 176.300 -0.057 0.000 1.137 237 R CA 2.192 58.340 56.100 0.080 0.000 0.947 237 R CB -0.063 30.248 30.300 0.018 0.000 0.865 237 R HN 0.726 nan 8.270 nan 0.000 0.437 238 E N 0.449 120.599 120.200 -0.082 0.000 2.038 238 E HA -0.215 4.136 4.350 0.001 0.000 0.195 238 E C 1.907 178.446 176.600 -0.101 0.000 1.000 238 E CA 1.653 57.972 56.400 -0.136 0.000 0.803 238 E CB -0.090 29.581 29.700 -0.048 0.000 0.750 238 E HN 0.492 nan 8.360 nan 0.000 0.448 239 E N 0.120 120.315 120.200 -0.008 0.000 2.077 239 E HA -0.202 4.149 4.350 0.001 0.000 0.193 239 E C 2.200 178.845 176.600 0.075 0.000 0.989 239 E CA 0.813 57.239 56.400 0.044 0.000 0.800 239 E CB -0.010 29.726 29.700 0.059 0.000 0.746 239 E HN 0.224 nan 8.360 nan 0.000 0.452 240 Q N 0.528 120.375 119.800 0.078 0.000 2.050 240 Q HA -0.135 4.205 4.340 0.001 0.000 0.202 240 Q C 2.187 178.270 176.000 0.138 0.000 0.980 240 Q CA 1.281 57.168 55.803 0.140 0.000 0.840 240 Q CB -0.327 28.553 28.738 0.237 0.000 0.898 240 Q HN 0.279 nan 8.270 nan 0.000 0.424 241 R N 0.686 121.143 120.500 -0.073 0.000 2.081 241 R HA -0.155 4.186 4.340 0.001 0.000 0.235 241 R C 2.010 178.114 176.300 -0.327 0.000 1.131 241 R CA 1.508 57.347 56.100 -0.436 0.000 0.960 241 R CB -0.292 29.222 30.300 -1.309 0.000 0.856 241 R HN 0.322 nan 8.270 nan 0.000 0.436 242 D N -0.118 120.178 120.400 -0.173 0.000 2.117 242 D HA -0.224 4.417 4.640 0.001 0.000 0.197 242 D C 1.747 178.167 176.300 0.200 0.000 0.987 242 D CA 0.959 55.059 54.000 0.167 0.000 0.829 242 D CB -0.071 40.825 40.800 0.160 0.000 0.961 242 D HN 0.225 nan 8.370 nan 0.000 0.460 243 Y N 0.678 121.023 120.300 0.075 0.000 2.181 243 Y HA -0.192 4.359 4.550 0.001 0.000 0.288 243 Y C 2.216 178.204 175.900 0.147 0.000 1.146 243 Y CA 1.544 59.698 58.100 0.091 0.000 1.164 243 Y CB -0.225 38.284 38.460 0.080 0.000 0.982 243 Y HN -0.011 nan 8.280 nan 0.000 0.515 244 Q N 0.164 120.210 119.800 0.410 0.000 2.020 244 Q HA -0.236 4.105 4.340 0.001 0.000 0.202 244 Q C 2.397 178.653 176.000 0.426 0.000 0.982 244 Q CA 1.881 57.952 55.803 0.447 0.000 0.838 244 Q CB -0.658 28.288 28.738 0.347 0.000 0.899 244 Q HN 0.335 nan 8.270 nan 0.000 0.423 245 R N 1.079 121.792 120.500 0.355 0.000 2.105 245 R HA -0.104 4.236 4.340 0.001 0.000 0.239 245 R C 2.035 178.474 176.300 0.232 0.000 1.135 245 R CA 1.689 58.007 56.100 0.363 0.000 0.967 245 R CB -0.122 30.418 30.300 0.400 0.000 0.861 245 R HN 0.176 nan 8.270 nan 0.000 0.442 246 R N -1.421 119.152 120.500 0.121 0.000 2.140 246 R HA 0.145 4.486 4.340 0.001 0.000 0.213 246 R C 1.996 178.266 176.300 -0.050 0.000 1.059 246 R CA 1.231 57.334 56.100 0.004 0.000 1.000 246 R CB 0.079 30.341 30.300 -0.064 0.000 0.910 246 R HN 0.049 nan 8.270 nan 0.000 0.455 247 R N -0.420 119.996 120.500 -0.140 0.000 2.250 247 R HA 0.219 4.560 4.340 0.001 0.000 0.194 247 R C -0.021 176.390 176.300 0.186 0.000 0.927 247 R CA 0.292 56.276 56.100 -0.195 0.000 1.052 247 R CB 0.740 30.473 30.300 -0.945 0.000 1.055 247 R HN -0.042 nan 8.270 nan 0.000 0.537 248 I N 2.472 123.217 120.570 0.291 0.000 2.268 248 I HA 0.182 4.353 4.170 0.001 0.000 0.290 248 I C -0.275 175.994 176.117 0.254 0.000 1.125 248 I CA -0.140 61.379 61.300 0.364 0.000 1.236 248 I CB 0.511 38.798 38.000 0.478 0.000 1.469 248 I HN -0.008 nan 8.210 nan 0.000 0.512 249 R N 3.870 124.506 120.500 0.227 0.000 3.688 249 R HA 0.405 4.745 4.340 0.001 0.000 0.194 249 R C 0.353 176.682 176.300 0.049 0.000 1.677 249 R CA -0.077 56.121 56.100 0.163 0.000 1.351 249 R CB 0.074 30.467 30.300 0.155 0.000 1.338 249 R HN 0.631 nan 8.270 nan 0.000 0.731 250 A N 1.902 124.594 122.820 -0.213 0.000 2.320 250 A HA 0.766 5.087 4.320 0.001 0.000 0.334 250 A C -0.526 176.939 177.584 -0.198 0.000 1.147 250 A CA -0.666 51.094 52.037 -0.461 0.000 0.820 250 A CB 0.660 19.062 19.000 -0.996 0.000 1.218 250 A HN 0.478 nan 8.150 nan 0.000 0.482 251 F N -0.940 118.975 119.950 -0.059 0.000 2.645 251 F HA 0.727 5.255 4.527 0.001 0.000 0.310 251 F C -1.144 174.685 175.800 0.050 0.000 1.102 251 F CA -1.458 56.574 58.000 0.053 0.000 0.952 251 F CB 1.103 40.131 39.000 0.047 0.000 1.326 251 F HN 0.288 nan 8.300 nan 0.000 0.456 252 V N 3.105 123.241 119.914 0.370 0.000 2.417 252 V HA 0.405 4.526 4.120 0.001 0.000 0.291 252 V C -0.305 175.919 176.094 0.218 0.000 1.024 252 V CA -0.718 61.725 62.300 0.239 0.000 0.861 252 V CB 1.586 33.538 31.823 0.215 0.000 0.985 252 V HN 0.700 nan 8.190 nan 0.000 0.436 253 L N 5.537 126.871 121.223 0.185 0.000 2.272 253 L HA 0.386 4.727 4.340 0.001 0.000 0.284 253 L C -0.856 176.101 176.870 0.145 0.000 1.045 253 L CA -0.572 54.336 54.840 0.113 0.000 0.842 253 L CB 0.508 42.623 42.059 0.092 0.000 1.224 253 L HN 0.585 nan 8.230 nan 0.000 0.430 254 Y N 5.600 125.875 120.300 -0.042 0.000 2.535 254 Y HA 0.428 4.979 4.550 0.001 0.000 0.349 254 Y C -0.457 175.458 175.900 0.025 0.000 0.992 254 Y CA -1.148 56.938 58.100 -0.023 0.000 1.248 254 Y CB 0.320 38.701 38.460 -0.133 0.000 1.124 254 Y HN 0.371 nan 8.280 nan 0.000 0.520 255 L N 5.229 126.637 121.223 0.309 0.000 2.317 255 L HA 0.783 5.123 4.340 0.001 0.000 0.281 255 L C 0.734 177.734 176.870 0.217 0.000 1.024 255 L CA -0.593 54.364 54.840 0.195 0.000 0.810 255 L CB 1.375 43.538 42.059 0.173 0.000 1.240 255 L HN 0.800 nan 8.230 nan 0.000 0.427 256 G N 1.758 110.651 108.800 0.154 0.000 2.757 256 G HA2 -0.213 3.748 3.960 0.001 0.000 0.638 256 G HA3 -0.213 3.748 3.960 0.001 0.000 0.638 256 G C -0.452 174.528 174.900 0.132 0.000 1.344 256 G CA -0.464 44.718 45.100 0.136 0.000 0.855 256 G HN 0.883 nan 8.290 nan 0.000 0.537 257 E N 0.057 120.321 120.200 0.107 0.000 2.568 257 E HA 0.094 4.445 4.350 0.001 0.000 0.262 257 E C 0.528 177.277 176.600 0.248 0.000 0.961 257 E CA 0.267 56.725 56.400 0.097 0.000 0.945 257 E CB 0.076 29.828 29.700 0.085 0.000 0.924 257 E HN 0.524 nan 8.360 nan 0.000 0.467 258 H N 2.525 121.615 119.070 0.034 0.000 2.505 258 H HA 0.252 4.808 4.556 0.001 0.000 0.355 258 H C -0.611 174.848 175.328 0.218 0.000 1.179 258 H CA -0.591 55.544 56.048 0.144 0.000 1.343 258 H CB 1.076 30.886 29.762 0.079 0.000 1.501 258 H HN 0.587 nan 8.280 nan 0.000 0.569 259 D N 0.232 120.886 120.400 0.424 0.000 2.756 259 D HA 0.068 4.709 4.640 0.001 0.000 0.226 259 D C 1.098 177.569 176.300 0.285 0.000 1.186 259 D CA -0.874 53.297 54.000 0.286 0.000 0.845 259 D CB 1.063 41.995 40.800 0.221 0.000 1.610 259 D HN 0.591 nan 8.370 nan 0.000 0.465 260 M N 0.374 120.105 119.600 0.218 0.000 2.143 260 M HA -0.185 4.296 4.480 0.001 0.000 0.258 260 M C 0.759 177.169 176.300 0.183 0.000 1.071 260 M CA 1.576 56.990 55.300 0.190 0.000 1.088 260 M CB -0.703 31.994 32.600 0.162 0.000 1.360 260 M HN 0.267 nan 8.290 nan 0.000 0.404 261 V N 0.873 120.905 119.914 0.197 0.000 2.379 261 V HA -0.185 3.935 4.120 0.001 0.000 0.245 261 V C 2.554 178.763 176.094 0.191 0.000 1.044 261 V CA 1.984 64.403 62.300 0.200 0.000 1.036 261 V CB -0.753 31.234 31.823 0.273 0.000 0.664 261 V HN 0.511 nan 8.190 nan 0.000 0.453 262 K N -0.255 120.267 120.400 0.202 0.000 2.057 262 K HA -0.155 4.166 4.320 0.001 0.000 0.207 262 K C 2.244 178.862 176.600 0.030 0.000 1.049 262 K CA 1.892 58.231 56.287 0.087 0.000 0.931 262 K CB -0.407 32.137 32.500 0.073 0.000 0.714 262 K HN 0.450 nan 8.250 nan 0.000 0.440 263 T N 0.934 115.617 114.554 0.215 0.000 2.746 263 T HA -0.151 4.200 4.350 0.001 0.000 0.267 263 T C 1.941 176.833 174.700 0.321 0.000 1.039 263 T CA 1.397 63.711 62.100 0.355 0.000 1.142 263 T CB -0.230 68.860 68.868 0.370 0.000 0.866 263 T HN 0.325 nan 8.240 nan 0.000 0.444 264 A N 1.360 124.302 122.820 0.204 0.000 1.933 264 A HA 0.158 4.479 4.320 0.001 0.000 0.218 264 A C 2.622 180.354 177.584 0.248 0.000 1.175 264 A CA 1.805 53.945 52.037 0.172 0.000 0.628 264 A CB -1.025 18.042 19.000 0.111 0.000 0.814 264 A HN 0.507 nan 8.150 nan 0.000 0.444 265 A N -0.141 122.828 122.820 0.249 0.000 1.898 265 A HA 0.191 4.512 4.320 0.001 0.000 0.216 265 A C 2.485 180.315 177.584 0.410 0.000 1.181 265 A CA 1.928 54.176 52.037 0.352 0.000 0.620 265 A CB -0.969 18.178 19.000 0.246 0.000 0.819 265 A HN 1.055 nan 8.150 nan 0.000 0.442 266 A N -1.365 121.631 122.820 0.294 0.000 1.933 266 A HA -0.051 4.270 4.320 0.001 0.000 0.218 266 A C 1.909 179.685 177.584 0.320 0.000 1.175 266 A CA 1.358 53.578 52.037 0.305 0.000 0.628 266 A CB -0.752 18.419 19.000 0.283 0.000 0.814 266 A HN 0.498 nan 8.150 nan 0.000 0.444 267 F N 0.156 120.214 119.950 0.180 0.000 2.604 267 F HA 0.027 4.554 4.527 0.001 0.000 0.298 267 F C 2.388 178.144 175.800 -0.074 0.000 1.131 267 F CA 0.649 58.711 58.000 0.104 0.000 1.457 267 F CB -0.056 38.979 39.000 0.058 0.000 1.095 267 F HN 0.326 nan 8.300 nan 0.000 0.574 268 G N -0.557 108.173 108.800 -0.116 0.000 2.421 268 G HA2 -0.135 3.826 3.960 0.001 0.000 0.217 268 G HA3 -0.135 3.826 3.960 0.001 0.000 0.217 268 G C 1.863 176.199 174.900 -0.941 0.000 1.143 268 G CA 0.685 45.213 45.100 -0.954 0.000 0.784 268 G HN 0.397 nan 8.290 nan 0.000 0.541 269 A N 0.914 123.677 122.820 -0.094 0.000 1.873 269 A HA 0.095 4.416 4.320 0.001 0.000 0.215 269 A C 2.364 180.029 177.584 0.134 0.000 1.186 269 A CA 1.105 53.320 52.037 0.296 0.000 0.616 269 A CB -0.358 19.016 19.000 0.623 0.000 0.823 269 A HN 0.340 nan 8.150 nan 0.000 0.442 270 I N -1.573 119.071 120.570 0.123 0.000 2.163 270 I HA -0.267 3.903 4.170 0.001 0.000 0.243 270 I C 2.359 178.460 176.117 -0.025 0.000 1.085 270 I CA 1.778 63.143 61.300 0.108 0.000 1.347 270 I CB -0.396 37.523 38.000 -0.134 0.000 1.044 270 I HN 0.474 nan 8.210 nan 0.000 0.408 271 F N 1.058 120.840 119.950 -0.281 0.000 2.154 271 F HA -0.312 4.216 4.527 0.002 0.000 0.301 271 F C 2.445 178.149 175.800 -0.160 0.000 1.087 271 F CA 2.067 59.880 58.000 -0.311 0.000 1.274 271 F CB -0.347 38.401 39.000 -0.420 0.000 1.009 271 F HN -0.053 nan 8.300 nan 0.000 0.485 272 T N -1.065 113.366 114.554 -0.205 0.000 3.107 272 T HA 0.321 4.672 4.350 0.001 0.000 0.249 272 T C 1.172 175.751 174.700 -0.201 0.000 1.096 272 T CA 0.766 62.680 62.100 -0.309 0.000 1.012 272 T CB -0.648 68.101 68.868 -0.198 0.000 0.977 272 T HN 0.679 nan 8.240 nan 0.000 0.527 273 G N 0.970 109.811 108.800 0.069 0.000 2.148 273 G HA2 -0.121 3.840 3.960 0.001 0.000 0.203 273 G HA3 -0.121 3.840 3.960 0.001 0.000 0.203 273 G C -0.335 174.942 174.900 0.629 0.000 0.993 273 G CA -0.425 44.882 45.100 0.345 0.000 0.661 273 G HN 0.409 nan 8.290 nan 0.000 0.518 274 F N 2.003 122.296 119.950 0.571 0.000 2.427 274 F HA 0.552 5.080 4.527 0.001 0.000 0.346 274 F C -1.500 174.643 175.800 0.571 0.000 1.120 274 F CA -3.764 54.538 58.000 0.503 0.000 1.033 274 F CB 1.568 40.808 39.000 0.400 0.000 1.126 274 F HN -0.117 nan 8.300 nan 0.000 0.462 275 P HA 0.220 nan 4.420 nan 0.000 0.277 275 P C -0.825 176.669 177.300 0.323 0.000 1.240 275 P CA -0.201 63.157 63.100 0.429 0.000 0.798 275 P CB 2.088 33.848 31.700 0.100 0.000 0.979 276 V N 4.316 124.356 119.914 0.210 0.000 2.378 276 V HA 0.269 4.390 4.120 0.001 0.000 0.288 276 V C 0.271 176.148 176.094 -0.361 0.000 1.016 276 V CA -0.458 61.861 62.300 0.031 0.000 0.840 276 V CB 1.073 32.973 31.823 0.129 0.000 0.994 276 V HN 0.354 nan 8.190 nan 0.000 0.431 277 I N 4.291 124.636 120.570 -0.375 0.000 2.362 277 I HA 0.465 4.636 4.170 0.001 0.000 0.289 277 I C 0.346 176.243 176.117 -0.367 0.000 0.994 277 I CA 0.257 61.181 61.300 -0.627 0.000 1.158 277 I CB 1.971 39.633 38.000 -0.563 0.000 1.315 277 I HN 0.574 nan 8.210 nan 0.000 0.451 278 T N 2.949 117.262 114.554 -0.401 0.000 2.888 278 T HA 0.264 4.615 4.350 0.001 0.000 0.284 278 T C 0.613 175.208 174.700 -0.175 0.000 1.017 278 T CA -0.623 61.342 62.100 -0.225 0.000 1.022 278 T CB 0.856 69.587 68.868 -0.229 0.000 1.013 278 T HN 0.721 nan 8.240 nan 0.000 0.465 279 D N 2.613 122.947 120.400 -0.109 0.000 2.340 279 D HA 0.021 4.662 4.640 0.001 0.000 0.220 279 D C 0.227 176.512 176.300 -0.026 0.000 1.039 279 D CA 0.139 54.098 54.000 -0.068 0.000 0.866 279 D CB 0.248 41.042 40.800 -0.010 0.000 0.913 279 D HN 0.324 nan 8.370 nan 0.000 0.523 280 Q N 0.974 120.722 119.800 -0.087 0.000 2.230 280 Q HA 0.388 4.728 4.340 0.001 0.000 0.248 280 Q C -2.434 173.501 176.000 -0.108 0.000 0.915 280 Q CA -2.173 53.547 55.803 -0.139 0.000 0.900 280 Q CB 1.167 29.686 28.738 -0.365 0.000 1.229 280 Q HN 0.099 nan 8.270 nan 0.000 0.439 281 P HA 0.197 nan 4.420 nan 0.000 0.276 281 P C -0.725 176.548 177.300 -0.045 0.000 1.235 281 P CA 0.115 63.191 63.100 -0.041 0.000 0.772 281 P CB 0.501 32.183 31.700 -0.030 0.000 0.871 282 L N 5.775 126.998 121.223 -0.000 0.000 2.362 282 L HA 0.505 4.846 4.340 0.001 0.000 0.275 282 L C -1.990 174.902 176.870 0.037 0.000 0.998 282 L CA -2.222 52.637 54.840 0.033 0.000 0.820 282 L CB 1.641 43.765 42.059 0.108 0.000 1.270 282 L HN 0.217 nan 8.230 nan 0.000 0.415 283 P HA 0.099 nan 4.420 nan 0.000 0.272 283 P C 0.395 177.707 177.300 0.021 0.000 1.254 283 P CA -0.411 62.697 63.100 0.015 0.000 0.795 283 P CB 0.699 32.401 31.700 0.005 0.000 1.022 284 E N 0.354 120.558 120.200 0.006 0.000 2.077 284 E HA -0.186 4.165 4.350 0.001 0.000 0.193 284 E C 0.807 177.397 176.600 -0.017 0.000 0.989 284 E CA 1.444 57.844 56.400 0.001 0.000 0.800 284 E CB -0.307 29.389 29.700 -0.007 0.000 0.746 284 E HN 0.589 nan 8.360 nan 0.000 0.452 285 D N 0.075 120.453 120.400 -0.037 0.000 2.352 285 D HA -0.040 4.601 4.640 0.001 0.000 0.236 285 D C 0.623 176.860 176.300 -0.105 0.000 1.148 285 D CA 0.264 54.213 54.000 -0.085 0.000 0.844 285 D CB 0.169 40.918 40.800 -0.085 0.000 0.933 285 D HN -0.059 nan 8.370 nan 0.000 0.507 286 K N 0.166 120.545 120.400 -0.034 0.000 2.536 286 K HA 0.134 4.455 4.320 0.001 0.000 0.203 286 K C -0.102 176.583 176.600 0.142 0.000 1.063 286 K CA -0.122 56.171 56.287 0.010 0.000 1.063 286 K CB 1.053 33.592 32.500 0.064 0.000 0.843 286 K HN 0.354 nan 8.250 nan 0.000 0.521 287 Q N -0.474 119.393 119.800 0.112 0.000 2.456 287 Q HA 0.607 4.948 4.340 0.001 0.000 0.284 287 Q C -0.908 175.190 176.000 0.163 0.000 1.061 287 Q CA -0.669 55.292 55.803 0.263 0.000 0.799 287 Q CB 1.710 30.599 28.738 0.253 0.000 1.445 287 Q HN 0.024 nan 8.270 nan 0.000 0.411 288 I N 1.507 122.248 120.570 0.284 0.000 2.497 288 I HA 0.388 4.559 4.170 0.001 0.000 0.284 288 I C -2.427 173.873 176.117 0.304 0.000 1.060 288 I CA -2.403 59.019 61.300 0.204 0.000 1.071 288 I CB 2.442 40.516 38.000 0.124 0.000 1.216 288 I HN 0.495 nan 8.210 nan 0.000 0.442 289 P HA 0.011 nan 4.420 nan 0.000 0.262 289 P C -0.183 177.108 177.300 -0.015 0.000 1.182 289 P CA 0.667 63.760 63.100 -0.012 0.000 0.761 289 P CB 0.326 32.000 31.700 -0.043 0.000 0.795 290 D N 0.110 120.313 120.400 -0.328 0.000 2.705 290 D HA -0.210 4.431 4.640 0.001 0.000 0.187 290 D C 0.420 176.580 176.300 -0.233 0.000 1.015 290 D CA 1.692 55.492 54.000 -0.334 0.000 1.030 290 D CB -1.346 39.165 40.800 -0.482 0.000 1.100 290 D HN 0.532 nan 8.370 nan 0.000 0.439 291 W N -0.583 121.019 121.300 0.503 0.000 3.283 291 W HA 0.378 5.038 4.660 0.001 0.000 0.235 291 W C 0.502 177.247 176.519 0.376 0.000 1.123 291 W CA -0.356 57.247 57.345 0.430 0.000 1.534 291 W CB 0.567 30.288 29.460 0.435 0.000 0.839 291 W HN -0.035 nan 8.180 nan 0.000 0.734 292 F N 2.309 122.523 119.950 0.439 0.000 3.094 292 F HA 0.332 4.860 4.527 0.001 0.000 0.385 292 F C -1.009 174.957 175.800 0.278 0.000 1.231 292 F CA -1.808 56.335 58.000 0.238 0.000 1.207 292 F CB 0.050 39.181 39.000 0.218 0.000 1.703 292 F HN -0.158 nan 8.300 nan 0.000 0.610 293 F N 1.186 121.131 119.950 -0.009 0.000 2.692 293 F HA 0.793 5.321 4.527 0.002 0.000 0.320 293 F C -0.774 174.973 175.800 -0.087 0.000 1.123 293 F CA -1.490 56.510 58.000 -0.000 0.000 0.961 293 F CB 1.024 40.034 39.000 0.016 0.000 1.383 293 F HN 0.065 nan 8.300 nan 0.000 0.483 294 S N 0.241 116.026 115.700 0.143 0.000 2.578 294 S HA 0.793 5.264 4.470 0.001 0.000 0.283 294 S C -1.258 173.390 174.600 0.080 0.000 1.195 294 S CA -0.398 57.814 58.200 0.020 0.000 1.050 294 S CB 1.233 64.452 63.200 0.032 0.000 1.012 294 S HN 0.710 nan 8.310 nan 0.000 0.511 295 V N 5.176 125.073 119.914 -0.028 0.000 2.675 295 V HA 0.252 4.373 4.120 0.001 0.000 0.266 295 V C 0.319 176.384 176.094 -0.049 0.000 0.974 295 V CA -0.527 61.762 62.300 -0.018 0.000 0.890 295 V CB 1.112 32.902 31.823 -0.054 0.000 1.055 295 V HN 1.010 nan 8.190 nan 0.000 0.477 296 E N 0.796 120.999 120.200 0.004 0.000 2.285 296 E HA -0.061 4.290 4.350 0.001 0.000 0.194 296 E C 0.598 177.269 176.600 0.119 0.000 0.997 296 E CA 0.298 56.729 56.400 0.052 0.000 0.845 296 E CB 0.370 30.100 29.700 0.050 0.000 0.782 296 E HN 0.657 nan 8.360 nan 0.000 0.491 297 D N -0.098 120.344 120.400 0.069 0.000 2.344 297 D HA -0.044 4.597 4.640 0.001 0.000 0.253 297 D C 0.112 176.473 176.300 0.101 0.000 1.255 297 D CA -0.023 54.034 54.000 0.095 0.000 0.894 297 D CB 0.305 41.131 40.800 0.043 0.000 1.067 297 D HN 0.007 nan 8.370 nan 0.000 0.492 298 Y N 1.810 122.097 120.300 -0.022 0.000 2.483 298 Y HA -0.136 4.415 4.550 0.002 0.000 0.291 298 Y C 1.785 177.668 175.900 -0.028 0.000 1.143 298 Y CA 0.851 58.936 58.100 -0.024 0.000 1.289 298 Y CB 0.172 38.620 38.460 -0.019 0.000 0.983 298 Y HN 0.441 nan 8.280 nan 0.000 0.556 299 D N -0.824 119.639 120.400 0.104 0.000 2.347 299 D HA -0.039 4.602 4.640 0.001 0.000 0.213 299 D C 1.455 177.755 176.300 0.000 0.000 0.985 299 D CA 0.848 54.876 54.000 0.045 0.000 0.879 299 D CB 0.105 40.928 40.800 0.038 0.000 0.919 299 D HN 0.379 nan 8.370 nan 0.000 0.526 300 K N -0.403 119.987 120.400 -0.017 0.000 2.391 300 K HA 0.236 4.557 4.320 0.001 0.000 0.197 300 K C 1.965 178.512 176.600 -0.089 0.000 1.087 300 K CA -0.175 56.087 56.287 -0.043 0.000 1.012 300 K CB 1.057 33.541 32.500 -0.027 0.000 0.925 300 K HN 0.009 nan 8.250 nan 0.000 0.547 301 I N 1.138 121.630 120.570 -0.130 0.000 2.087 301 I HA -0.381 3.789 4.170 0.001 0.000 0.240 301 I C 2.130 178.107 176.117 -0.234 0.000 1.054 301 I CA 1.597 62.774 61.300 -0.205 0.000 1.311 301 I CB -0.547 37.273 38.000 -0.301 0.000 1.024 301 I HN -0.088 nan 8.210 nan 0.000 0.402 302 V N 0.365 120.157 119.914 -0.203 0.000 2.287 302 V HA -0.359 3.762 4.120 0.001 0.000 0.248 302 V C 2.495 178.451 176.094 -0.230 0.000 1.053 302 V CA 2.324 64.483 62.300 -0.235 0.000 1.027 302 V CB -0.868 30.855 31.823 -0.166 0.000 0.646 302 V HN 0.539 nan 8.190 nan 0.000 0.447 303 Q N -0.313 119.402 119.800 -0.142 0.000 2.061 303 Q HA -0.218 4.123 4.340 0.001 0.000 0.204 303 Q C 2.255 178.180 176.000 -0.125 0.000 0.984 303 Q CA 2.238 57.979 55.803 -0.103 0.000 0.846 303 Q CB -0.195 28.505 28.738 -0.062 0.000 0.902 303 Q HN 0.654 nan 8.270 nan 0.000 0.421 304 I N 0.550 121.044 120.570 -0.127 0.000 2.315 304 I HA -0.244 3.927 4.170 0.001 0.000 0.248 304 I C 2.422 178.446 176.117 -0.155 0.000 1.117 304 I CA 0.830 62.073 61.300 -0.095 0.000 1.404 304 I CB -0.406 37.579 38.000 -0.024 0.000 1.071 304 I HN 0.281 nan 8.210 nan 0.000 0.419 305 A N 0.771 123.382 122.820 -0.347 0.000 1.873 305 A HA -0.199 4.121 4.320 0.001 0.000 0.215 305 A C 2.352 179.606 177.584 -0.550 0.000 1.186 305 A CA 1.484 53.127 52.037 -0.657 0.000 0.616 305 A CB -0.518 17.636 19.000 -1.410 0.000 0.823 305 A HN 0.300 nan 8.150 nan 0.000 0.442 306 M N -0.840 118.528 119.600 -0.387 0.000 2.117 306 M HA -0.182 4.299 4.480 0.001 0.000 0.262 306 M C 2.072 178.344 176.300 -0.046 0.000 1.065 306 M CA 1.797 57.047 55.300 -0.083 0.000 1.114 306 M CB -0.466 32.155 32.600 0.034 0.000 1.361 306 M HN 0.486 nan 8.290 nan 0.000 0.408 307 E N -0.396 119.757 120.200 -0.078 0.000 2.077 307 E HA -0.145 4.205 4.350 0.001 0.000 0.193 307 E C 1.961 178.518 176.600 -0.072 0.000 0.989 307 E CA 1.738 58.100 56.400 -0.063 0.000 0.800 307 E CB -0.142 29.517 29.700 -0.068 0.000 0.746 307 E HN 0.477 nan 8.360 nan 0.000 0.452 308 T N 0.741 115.247 114.554 -0.080 0.000 2.746 308 T HA -0.165 4.185 4.350 0.001 0.000 0.267 308 T C 1.871 176.524 174.700 -0.077 0.000 1.039 308 T CA 1.422 63.473 62.100 -0.082 0.000 1.142 308 T CB -0.140 68.734 68.868 0.009 0.000 0.866 308 T HN -0.032 nan 8.240 nan 0.000 0.444 309 R N 0.817 121.304 120.500 -0.021 0.000 2.189 309 R HA 0.114 4.455 4.340 0.001 0.000 0.218 309 R C 1.470 177.792 176.300 0.037 0.000 1.074 309 R CA 1.115 57.255 56.100 0.066 0.000 0.991 309 R CB -0.540 29.897 30.300 0.227 0.000 0.883 309 R HN 0.486 nan 8.270 nan 0.000 0.457 310 G N -0.365 108.435 108.800 -0.000 0.000 2.130 310 G HA2 -0.209 3.752 3.960 0.001 0.000 0.216 310 G HA3 -0.209 3.752 3.960 0.001 0.000 0.216 310 G C -0.115 174.766 174.900 -0.033 0.000 0.999 310 G CA 0.053 45.136 45.100 -0.028 0.000 0.686 310 G HN 0.248 nan 8.290 nan 0.000 0.515 311 I N 0.836 121.416 120.570 0.017 0.000 2.352 311 I HA 0.336 4.507 4.170 0.001 0.000 0.290 311 I C 0.436 176.553 176.117 0.000 0.000 1.036 311 I CA 0.017 61.326 61.300 0.015 0.000 1.336 311 I CB 1.022 39.122 38.000 0.167 0.000 1.407 311 I HN -0.038 nan 8.210 nan 0.000 0.497 312 K N 7.847 128.210 120.400 -0.062 0.000 2.413 312 K HA 0.665 4.986 4.320 0.001 0.000 0.257 312 K C -1.445 175.127 176.600 -0.047 0.000 0.946 312 K CA -0.747 55.513 56.287 -0.045 0.000 0.823 312 K CB 2.157 34.617 32.500 -0.066 0.000 1.109 312 K HN 0.368 nan 8.250 nan 0.000 0.427 313 L N -0.320 120.903 121.223 0.000 0.000 2.455 313 L HA 0.601 4.942 4.340 0.001 0.000 0.264 313 L C 0.226 177.113 176.870 0.028 0.000 0.968 313 L CA -0.523 54.325 54.840 0.013 0.000 0.827 313 L CB 1.759 43.842 42.059 0.039 0.000 1.317 313 L HN 0.593 nan 8.230 nan 0.000 0.407 314 T N -2.836 111.732 114.554 0.024 0.000 3.058 314 T HA 0.267 4.617 4.350 0.001 0.000 0.278 314 T C 0.411 175.131 174.700 0.034 0.000 0.974 314 T CA -0.520 61.594 62.100 0.025 0.000 0.893 314 T CB -0.000 68.875 68.868 0.011 0.000 1.138 314 T HN 0.487 nan 8.240 nan 0.000 0.529 315 K N 2.341 122.768 120.400 0.045 0.000 2.547 315 K HA -0.046 4.275 4.320 0.001 0.000 0.275 315 K C 0.467 177.098 176.600 0.053 0.000 1.001 315 K CA -0.169 56.151 56.287 0.055 0.000 1.111 315 K CB 0.073 32.621 32.500 0.081 0.000 0.832 315 K HN 0.604 nan 8.250 nan 0.000 0.485 316 I N 2.732 123.324 120.570 0.037 0.000 2.818 316 I HA -0.131 4.040 4.170 0.001 0.000 0.285 316 I C 0.465 176.603 176.117 0.036 0.000 1.160 316 I CA -0.062 61.252 61.300 0.023 0.000 1.370 316 I CB -0.012 37.986 38.000 -0.003 0.000 1.440 316 I HN 0.341 nan 8.210 nan 0.000 0.555 317 K N 7.032 127.458 120.400 0.044 0.000 2.326 317 K HA 0.356 4.677 4.320 0.001 0.000 0.275 317 K C -0.907 175.700 176.600 0.012 0.000 1.018 317 K CA -0.065 56.257 56.287 0.059 0.000 0.962 317 K CB 0.728 33.266 32.500 0.064 0.000 0.953 317 K HN 0.658 nan 8.250 nan 0.000 0.475 318 L N 2.211 123.428 121.223 -0.011 0.000 2.399 318 L HA 0.285 4.626 4.340 0.001 0.000 0.265 318 L C -0.182 176.659 176.870 -0.049 0.000 1.089 318 L CA -0.686 54.103 54.840 -0.086 0.000 0.802 318 L CB 1.263 43.173 42.059 -0.249 0.000 1.180 318 L HN 0.688 nan 8.230 nan 0.000 0.454 319 D N 2.140 122.505 120.400 -0.060 0.000 2.467 319 D HA 0.519 5.160 4.640 0.001 0.000 0.220 319 D C -1.038 175.237 176.300 -0.041 0.000 1.103 319 D CA -0.001 53.977 54.000 -0.036 0.000 0.886 319 D CB 0.326 41.106 40.800 -0.034 0.000 1.025 319 D HN 0.206 nan 8.370 nan 0.000 0.514 320 L N 4.055 125.264 121.223 -0.023 0.000 2.393 320 L HA 0.499 4.840 4.340 0.001 0.000 0.260 320 L C -1.371 175.506 176.870 0.012 0.000 1.002 320 L CA -1.707 53.130 54.840 -0.005 0.000 0.818 320 L CB 2.466 44.526 42.059 0.002 0.000 1.369 320 L HN 0.217 nan 8.230 nan 0.000 0.412 321 P HA 0.008 nan 4.420 nan 0.000 0.229 321 P C -0.001 177.304 177.300 0.008 0.000 1.160 321 P CA 0.902 64.008 63.100 0.012 0.000 0.777 321 P CB 0.332 32.039 31.700 0.012 0.000 0.814 322 I N -3.741 116.843 120.570 0.023 0.000 2.910 322 I HA 0.440 4.611 4.170 0.001 0.000 0.310 322 I C -0.086 176.016 176.117 -0.025 0.000 1.043 322 I CA -1.424 59.856 61.300 -0.033 0.000 1.053 322 I CB 1.616 39.581 38.000 -0.059 0.000 1.242 322 I HN -0.286 nan 8.210 nan 0.000 0.452 323 N N 1.617 120.236 118.700 -0.135 0.000 2.444 323 N HA 0.319 5.060 4.740 0.001 0.000 0.255 323 N C -1.768 173.768 175.510 0.043 0.000 1.255 323 N CA -0.282 52.726 53.050 -0.069 0.000 0.933 323 N CB 0.872 39.249 38.487 -0.182 0.000 1.143 323 N HN 0.534 nan 8.380 nan 0.000 0.453 324 F N 0.529 120.544 119.950 0.108 0.000 2.561 324 F HA 0.605 5.133 4.527 0.001 0.000 0.313 324 F C -0.090 175.920 175.800 0.350 0.000 1.126 324 F CA 0.035 58.176 58.000 0.235 0.000 0.918 324 F CB 1.650 40.756 39.000 0.177 0.000 1.199 324 F HN 0.555 nan 8.300 nan 0.000 0.444 325 G N 5.273 114.041 108.800 -0.054 0.000 2.340 325 G HA2 0.238 4.199 3.960 0.001 0.000 0.298 325 G HA3 0.238 4.199 3.960 0.001 0.000 0.298 325 G C -2.904 171.481 174.900 -0.858 0.000 1.498 325 G CA -0.749 44.202 45.100 -0.248 0.000 0.847 325 G HN 0.294 nan 8.290 nan 0.000 0.594 326 P HA -0.090 nan 4.420 nan 0.000 0.221 326 P C 1.851 178.676 177.300 -0.791 0.000 1.145 326 P CA 1.753 64.116 63.100 -1.229 0.000 0.795 326 P CB 0.144 31.431 31.700 -0.688 0.000 0.775 327 A N -0.401 121.943 122.820 -0.793 0.000 1.972 327 A HA -0.123 4.198 4.320 0.001 0.000 0.219 327 A C 1.725 178.880 177.584 -0.716 0.000 1.169 327 A CA 1.173 52.721 52.037 -0.814 0.000 0.635 327 A CB -1.672 16.727 19.000 -1.002 0.000 0.810 327 A HN 0.204 nan 8.150 nan 0.000 0.446 328 F N -0.545 119.278 119.950 -0.212 0.000 2.765 328 F HA 0.166 4.694 4.527 0.001 0.000 0.302 328 F C 1.925 177.637 175.800 -0.147 0.000 1.111 328 F CA 0.478 58.423 58.000 -0.090 0.000 1.359 328 F CB 0.027 38.995 39.000 -0.054 0.000 1.097 328 F HN 0.330 nan 8.300 nan 0.000 0.577 329 E N 1.129 121.226 120.200 -0.171 0.000 2.047 329 E HA -0.123 4.227 4.350 0.001 0.000 0.191 329 E C 2.460 179.021 176.600 -0.065 0.000 0.987 329 E CA 1.109 57.451 56.400 -0.096 0.000 0.799 329 E CB -0.349 29.273 29.700 -0.129 0.000 0.752 329 E HN 0.398 nan 8.360 nan 0.000 0.449 330 G N 1.133 109.840 108.800 -0.156 0.000 2.848 330 G HA2 -0.165 3.796 3.960 0.001 0.000 0.208 330 G HA3 -0.165 3.796 3.960 0.001 0.000 0.208 330 G C 0.467 175.229 174.900 -0.231 0.000 1.152 330 G CA -0.057 44.949 45.100 -0.156 0.000 0.789 330 G HN 0.365 nan 8.290 nan 0.000 0.531 331 E N 0.458 120.516 120.200 -0.236 0.000 2.438 331 E HA 0.238 4.588 4.350 0.001 0.000 0.261 331 E C -0.627 176.009 176.600 0.059 0.000 1.103 331 E CA 0.024 56.360 56.400 -0.107 0.000 0.959 331 E CB 0.406 30.229 29.700 0.205 0.000 0.958 331 E HN 0.019 nan 8.360 nan 0.000 0.447 332 S N 3.175 118.881 115.700 0.009 0.000 2.536 332 S HA 0.452 4.923 4.470 0.001 0.000 0.287 332 S C -0.856 173.616 174.600 -0.213 0.000 1.101 332 S CA -0.915 57.171 58.200 -0.190 0.000 0.950 332 S CB 0.796 63.900 63.200 -0.160 0.000 1.056 332 S HN 0.446 nan 8.310 nan 0.000 0.481 333 I N 4.660 124.962 120.570 -0.445 0.000 2.328 333 I HA 0.364 4.535 4.170 0.001 0.000 0.287 333 I C 0.670 176.627 176.117 -0.267 0.000 1.012 333 I CA -0.397 60.737 61.300 -0.276 0.000 1.195 333 I CB 0.925 38.781 38.000 -0.240 0.000 1.350 333 I HN 0.620 nan 8.210 nan 0.000 0.464 334 R N 4.192 124.607 120.500 -0.143 0.000 2.590 334 R HA 0.056 4.397 4.340 0.001 0.000 0.274 334 R C 1.001 177.258 176.300 -0.072 0.000 1.061 334 R CA -0.425 55.613 56.100 -0.103 0.000 1.081 334 R CB 0.951 31.220 30.300 -0.052 0.000 0.984 334 R HN 0.374 nan 8.270 nan 0.000 0.448 335 K N 1.333 121.702 120.400 -0.052 0.000 2.113 335 K HA -0.158 4.163 4.320 0.001 0.000 0.208 335 K C 1.872 178.475 176.600 0.005 0.000 1.047 335 K CA 1.778 58.059 56.287 -0.011 0.000 0.928 335 K CB -0.355 32.151 32.500 0.010 0.000 0.716 335 K HN 0.836 nan 8.250 nan 0.000 0.446 336 G N 0.469 109.270 108.800 0.001 0.000 2.534 336 G HA2 -0.169 3.792 3.960 0.001 0.000 0.217 336 G HA3 -0.169 3.792 3.960 0.001 0.000 0.217 336 G C 0.352 175.264 174.900 0.020 0.000 1.128 336 G CA 0.721 45.828 45.100 0.012 0.000 0.784 336 G HN 0.321 nan 8.290 nan 0.000 0.542 337 D N -0.804 119.604 120.400 0.014 0.000 2.433 337 D HA 0.172 4.812 4.640 0.001 0.000 0.211 337 D C 0.797 177.129 176.300 0.053 0.000 1.114 337 D CA -0.298 53.718 54.000 0.027 0.000 0.837 337 D CB 0.382 41.185 40.800 0.005 0.000 0.984 337 D HN 0.222 nan 8.370 nan 0.000 0.505 338 M N 1.065 120.696 119.600 0.051 0.000 2.146 338 M HA 0.112 4.593 4.480 0.001 0.000 0.352 338 M C -0.037 176.346 176.300 0.138 0.000 1.343 338 M CA -0.246 55.104 55.300 0.083 0.000 1.115 338 M CB 0.753 33.385 32.600 0.053 0.000 1.657 338 M HN 0.068 nan 8.290 nan 0.000 0.471 339 Y N 5.666 126.004 120.300 0.064 0.000 2.230 339 Y HA 0.238 4.789 4.550 0.001 0.000 0.294 339 Y C -0.078 175.888 175.900 0.111 0.000 1.120 339 Y CA 0.920 59.064 58.100 0.074 0.000 1.129 339 Y CB 0.575 39.078 38.460 0.071 0.000 1.040 339 Y HN 0.454 nan 8.280 nan 0.000 0.519 340 V N 0.576 120.630 119.914 0.234 0.000 3.040 340 V HA 0.404 4.525 4.120 0.001 0.000 0.312 340 V C -1.223 175.024 176.094 0.255 0.000 1.115 340 V CA -1.115 61.313 62.300 0.212 0.000 0.998 340 V CB 2.027 34.085 31.823 0.391 0.000 1.042 340 V HN 0.116 nan 8.190 nan 0.000 0.433 341 E N 3.209 123.556 120.200 0.246 0.000 2.311 341 E HA 0.584 4.934 4.350 0.001 0.000 0.281 341 E C -1.680 175.085 176.600 0.276 0.000 0.905 341 E CA -0.697 55.880 56.400 0.294 0.000 0.778 341 E CB 1.636 31.506 29.700 0.283 0.000 1.240 341 E HN 0.697 nan 8.360 nan 0.000 0.410 342 M N 2.294 122.083 119.600 0.314 0.000 2.530 342 M HA 0.812 5.293 4.480 0.001 0.000 0.307 342 M C 0.441 176.894 176.300 0.255 0.000 1.161 342 M CA -0.049 55.384 55.300 0.220 0.000 0.903 342 M CB 0.343 33.030 32.600 0.146 0.000 1.711 342 M HN 0.700 nan 8.290 nan 0.000 0.451 343 G N 1.143 110.017 108.800 0.122 0.000 2.527 343 G HA2 0.207 4.168 3.960 0.001 0.000 0.227 343 G HA3 0.207 4.168 3.960 0.001 0.000 0.227 343 G C 0.445 175.239 174.900 -0.176 0.000 1.291 343 G CA 0.471 45.603 45.100 0.055 0.000 0.904 343 G HN 2.262 nan 8.290 nan 0.000 0.577 344 G N -0.840 107.736 108.800 -0.373 0.000 2.258 344 G HA2 -0.030 3.930 3.960 0.001 0.000 0.274 344 G HA3 -0.030 3.930 3.960 0.001 0.000 0.274 344 G C 0.665 175.214 174.900 -0.584 0.000 1.021 344 G CA 1.496 45.994 45.100 -1.003 0.000 0.798 344 G HN 2.480 nan 8.290 nan 0.000 0.507 345 N N -2.166 116.364 118.700 -0.284 0.000 2.725 345 N HA -0.193 4.548 4.740 0.001 0.000 0.249 345 N C 1.409 176.825 175.510 -0.157 0.000 1.103 345 N CA 1.752 54.697 53.050 -0.174 0.000 0.707 345 N CB -0.570 37.820 38.487 -0.162 0.000 1.043 345 N HN 0.812 nan 8.380 nan 0.000 0.553 346 R N -1.506 118.904 120.500 -0.150 0.000 2.279 346 R HA 0.205 4.546 4.340 0.001 0.000 0.195 346 R C 0.267 176.552 176.300 -0.025 0.000 0.905 346 R CA 1.278 57.327 56.100 -0.085 0.000 1.044 346 R CB 0.727 30.983 30.300 -0.074 0.000 1.056 346 R HN 0.437 nan 8.270 nan 0.000 0.535 347 T N -1.565 112.979 114.554 -0.015 0.000 2.830 347 T HA 0.310 4.661 4.350 0.001 0.000 0.322 347 T C -3.078 171.637 174.700 0.025 0.000 1.501 347 T CA -1.820 60.291 62.100 0.019 0.000 1.036 347 T CB 2.495 71.391 68.868 0.046 0.000 1.379 347 T HN -0.229 nan 8.240 nan 0.000 0.493 348 P HA 0.536 nan 4.420 nan 0.000 0.271 348 P C -0.984 176.365 177.300 0.082 0.000 1.216 348 P CA -0.185 62.957 63.100 0.071 0.000 0.771 348 P CB 0.807 32.559 31.700 0.087 0.000 0.864 349 A N 3.246 126.130 122.820 0.107 0.000 2.566 349 A HA 0.785 5.106 4.320 0.001 0.000 0.297 349 A C -1.297 176.388 177.584 0.169 0.000 1.059 349 A CA -0.549 51.527 52.037 0.064 0.000 0.691 349 A CB 1.132 20.150 19.000 0.030 0.000 1.282 349 A HN 0.557 nan 8.150 nan 0.000 0.401 350 F N -0.229 119.763 119.950 0.070 0.000 2.693 350 F HA 0.805 5.333 4.527 0.001 0.000 0.309 350 F C -0.907 174.962 175.800 0.115 0.000 1.129 350 F CA -0.762 57.306 58.000 0.113 0.000 0.948 350 F CB 1.195 40.278 39.000 0.138 0.000 1.315 350 F HN 0.756 nan 8.300 nan 0.000 0.447 351 E N 2.368 122.806 120.200 0.397 0.000 2.266 351 E HA 0.758 5.109 4.350 0.001 0.000 0.268 351 E C -2.181 174.708 176.600 0.480 0.000 0.879 351 E CA -1.218 55.346 56.400 0.272 0.000 0.762 351 E CB 2.971 32.772 29.700 0.168 0.000 1.199 351 E HN 0.852 nan 8.360 nan 0.000 0.422 352 L N 1.841 123.295 121.223 0.387 0.000 2.565 352 L HA 0.396 4.736 4.340 0.001 0.000 0.261 352 L C -2.006 175.001 176.870 0.228 0.000 0.932 352 L CA -0.601 54.444 54.840 0.341 0.000 0.878 352 L CB 2.325 44.594 42.059 0.351 0.000 1.333 352 L HN 0.579 nan 8.230 nan 0.000 0.409 353 V N 4.896 124.914 119.914 0.172 0.000 2.459 353 V HA 0.762 4.883 4.120 0.001 0.000 0.295 353 V C -0.418 175.740 176.094 0.106 0.000 1.029 353 V CA -0.496 61.877 62.300 0.122 0.000 0.874 353 V CB 1.758 33.627 31.823 0.077 0.000 0.985 353 V HN 0.871 nan 8.190 nan 0.000 0.438 354 R N 1.697 122.257 120.500 0.101 0.000 2.673 354 R HA 0.720 5.060 4.340 0.001 0.000 0.281 354 R C -0.918 175.430 176.300 0.080 0.000 0.991 354 R CA -0.629 55.520 56.100 0.082 0.000 0.896 354 R CB 1.487 31.838 30.300 0.085 0.000 1.201 354 R HN 0.464 nan 8.270 nan 0.000 0.457 355 T N 2.351 116.944 114.554 0.066 0.000 2.780 355 T HA 0.392 4.743 4.350 0.001 0.000 0.294 355 T C 0.211 174.966 174.700 0.091 0.000 0.949 355 T CA -0.557 61.588 62.100 0.075 0.000 1.074 355 T CB 1.027 69.924 68.868 0.048 0.000 0.910 355 T HN 0.507 nan 8.240 nan 0.000 0.501 356 V N 0.640 120.633 119.914 0.132 0.000 2.960 356 V HA 0.856 4.976 4.120 0.001 0.000 0.315 356 V C 0.218 176.412 176.094 0.167 0.000 1.087 356 V CA -1.314 61.058 62.300 0.121 0.000 0.982 356 V CB 1.797 33.681 31.823 0.101 0.000 1.039 356 V HN 0.909 nan 8.190 nan 0.000 0.437 357 S N 0.345 116.101 115.700 0.093 0.000 2.585 357 S HA 0.189 4.659 4.470 0.001 0.000 0.273 357 S C 0.946 175.484 174.600 -0.104 0.000 1.339 357 S CA 0.539 58.777 58.200 0.063 0.000 1.028 357 S CB 0.910 64.125 63.200 0.025 0.000 0.906 357 S HN 1.079 nan 8.310 nan 0.000 0.528 358 E N 1.311 121.319 120.200 -0.320 0.000 2.130 358 E HA -0.226 4.125 4.350 0.001 0.000 0.196 358 E C 1.816 178.211 176.600 -0.342 0.000 0.998 358 E CA 1.646 57.605 56.400 -0.735 0.000 0.806 358 E CB -0.310 28.988 29.700 -0.670 0.000 0.738 358 E HN 0.873 nan 8.360 nan 0.000 0.459 359 S N -0.576 115.018 115.700 -0.176 0.000 2.522 359 S HA -0.056 4.415 4.470 0.001 0.000 0.227 359 S C 1.560 176.119 174.600 -0.068 0.000 0.986 359 S CA 0.602 58.741 58.200 -0.101 0.000 0.929 359 S CB 0.232 63.397 63.200 -0.059 0.000 0.769 359 S HN 0.289 nan 8.310 nan 0.000 0.529 360 E N 0.197 120.360 120.200 -0.061 0.000 2.444 360 E HA 0.429 4.780 4.350 0.001 0.000 0.191 360 E C -0.321 176.275 176.600 -0.007 0.000 1.041 360 E CA -0.226 56.163 56.400 -0.017 0.000 0.883 360 E CB 0.306 30.009 29.700 0.007 0.000 1.024 360 E HN 0.615 nan 8.360 nan 0.000 0.470 361 I N -0.116 120.428 120.570 -0.043 0.000 2.722 361 I HA 0.255 4.425 4.170 0.001 0.000 0.295 361 I C -1.330 174.769 176.117 -0.031 0.000 1.161 361 I CA -0.546 60.744 61.300 -0.017 0.000 1.032 361 I CB 2.477 40.481 38.000 0.006 0.000 1.244 361 I HN -0.228 nan 8.210 nan 0.000 0.421 362 T N 4.451 119.004 114.554 -0.002 0.000 2.809 362 T HA 0.194 4.545 4.350 0.001 0.000 0.296 362 T C -0.733 173.975 174.700 0.012 0.000 1.015 362 T CA -0.255 61.843 62.100 -0.003 0.000 0.954 362 T CB 0.777 69.645 68.868 -0.000 0.000 0.950 362 T HN 0.572 nan 8.240 nan 0.000 0.450 363 D N 2.177 122.586 120.400 0.014 0.000 2.487 363 D HA 0.357 4.997 4.640 0.001 0.000 0.243 363 D C 1.468 177.780 176.300 0.020 0.000 1.154 363 D CA 1.734 55.752 54.000 0.030 0.000 0.876 363 D CB 0.119 40.941 40.800 0.037 0.000 1.161 363 D HN 0.790 nan 8.370 nan 0.000 0.478 364 G N 3.478 112.291 108.800 0.022 0.000 2.179 364 G HA2 -0.349 3.612 3.960 0.001 0.000 0.260 364 G HA3 -0.349 3.612 3.960 0.001 0.000 0.260 364 G C 0.477 175.380 174.900 0.006 0.000 0.977 364 G CA 0.427 45.534 45.100 0.010 0.000 0.641 364 G HN 0.690 nan 8.290 nan 0.000 0.533 365 K N 0.833 121.238 120.400 0.009 0.000 2.378 365 K HA 0.504 4.825 4.320 0.001 0.000 0.288 365 K C 0.029 176.629 176.600 -0.001 0.000 1.057 365 K CA -0.180 56.108 56.287 0.002 0.000 0.971 365 K CB -0.069 32.434 32.500 0.004 0.000 0.975 365 K HN 0.328 nan 8.250 nan 0.000 0.475 366 I N 4.840 125.403 120.570 -0.011 0.000 2.465 366 I HA 0.247 4.418 4.170 0.001 0.000 0.291 366 I C -0.623 175.472 176.117 -0.037 0.000 1.014 366 I CA -0.675 60.615 61.300 -0.017 0.000 1.093 366 I CB 1.912 39.908 38.000 -0.007 0.000 1.267 366 I HN 0.682 nan 8.210 nan 0.000 0.431 367 E N 5.547 125.707 120.200 -0.066 0.000 2.321 367 E HA 0.546 4.896 4.350 0.001 0.000 0.278 367 E C -1.784 174.729 176.600 -0.145 0.000 0.902 367 E CA -0.884 55.460 56.400 -0.093 0.000 0.758 367 E CB 2.459 32.099 29.700 -0.100 0.000 1.213 367 E HN 0.224 nan 8.360 nan 0.000 0.426 368 V N 3.867 123.722 119.914 -0.098 0.000 2.348 368 V HA 0.215 4.336 4.120 0.001 0.000 0.270 368 V C -0.109 175.914 176.094 -0.119 0.000 1.037 368 V CA -0.767 61.483 62.300 -0.084 0.000 0.872 368 V CB 0.851 32.699 31.823 0.041 0.000 1.002 368 V HN 0.696 nan 8.190 nan 0.000 0.464 369 I N 5.662 126.089 120.570 -0.238 0.000 2.256 369 I HA 0.648 4.819 4.170 0.001 0.000 0.294 369 I C 0.918 177.022 176.117 -0.021 0.000 1.127 369 I CA 0.705 61.901 61.300 -0.173 0.000 1.247 369 I CB -0.353 37.434 38.000 -0.354 0.000 1.460 369 I HN 0.904 nan 8.210 nan 0.000 0.511 370 G N 8.425 117.241 108.800 0.026 0.000 2.306 370 G HA2 -0.053 3.908 3.960 0.001 0.000 0.262 370 G HA3 -0.053 3.908 3.960 0.001 0.000 0.262 370 G C -3.161 171.795 174.900 0.094 0.000 1.263 370 G CA -1.029 44.115 45.100 0.072 0.000 1.088 370 G HN 0.267 nan 8.290 nan 0.000 0.489 371 P HA 0.266 nan 4.420 nan 0.000 0.266 371 P C -0.369 177.054 177.300 0.205 0.000 1.215 371 P CA 0.110 63.290 63.100 0.133 0.000 0.763 371 P CB 0.770 32.553 31.700 0.140 0.000 0.806 372 D N 2.074 122.522 120.400 0.080 0.000 2.447 372 D HA 0.107 4.748 4.640 0.001 0.000 0.265 372 D C 1.264 177.370 176.300 -0.324 0.000 1.250 372 D CA -0.456 53.503 54.000 -0.068 0.000 1.046 372 D CB 0.938 41.656 40.800 -0.138 0.000 1.095 372 D HN 0.192 nan 8.370 nan 0.000 0.555 373 I N 0.130 120.170 120.570 -0.883 0.000 2.394 373 I HA -0.202 3.968 4.170 0.001 0.000 0.251 373 I C 1.124 177.163 176.117 -0.130 0.000 1.136 373 I CA 1.090 62.007 61.300 -0.639 0.000 1.425 373 I CB 0.056 37.567 38.000 -0.815 0.000 1.079 373 I HN 0.351 nan 8.210 nan 0.000 0.425 374 D N 0.178 120.477 120.400 -0.168 0.000 2.370 374 D HA -0.088 4.553 4.640 0.001 0.000 0.230 374 D C 0.785 177.077 176.300 -0.014 0.000 1.143 374 D CA 0.140 54.106 54.000 -0.056 0.000 0.834 374 D CB 0.109 40.846 40.800 -0.104 0.000 0.944 374 D HN 0.502 nan 8.370 nan 0.000 0.504 375 Q N 0.200 119.996 119.800 -0.006 0.000 2.112 375 Q HA 0.265 4.605 4.340 0.001 0.000 0.222 375 Q C -0.281 175.740 176.000 0.035 0.000 0.798 375 Q CA -0.312 55.499 55.803 0.013 0.000 1.060 375 Q CB 0.871 29.613 28.738 0.007 0.000 1.184 375 Q HN 0.366 nan 8.270 nan 0.000 0.475 376 I N -3.526 117.072 120.570 0.046 0.000 3.074 376 I HA 0.643 4.814 4.170 0.001 0.000 0.310 376 I C -2.781 173.325 176.117 -0.018 0.000 1.153 376 I CA -2.888 58.428 61.300 0.026 0.000 0.993 376 I CB 0.656 38.682 38.000 0.044 0.000 1.237 376 I HN -0.216 nan 8.210 nan 0.000 0.443 377 P HA 0.150 nan 4.420 nan 0.000 0.275 377 P C -0.631 176.498 177.300 -0.285 0.000 1.227 377 P CA -0.215 62.826 63.100 -0.098 0.000 0.781 377 P CB 0.872 32.539 31.700 -0.055 0.000 0.906 378 E N 1.279 121.303 120.200 -0.293 0.000 2.415 378 E HA 0.213 4.564 4.350 0.001 0.000 0.260 378 E C 0.863 177.283 176.600 -0.300 0.000 1.016 378 E CA 0.548 56.647 56.400 -0.503 0.000 0.924 378 E CB -0.605 29.067 29.700 -0.046 0.000 0.961 378 E HN 0.808 nan 8.360 nan 0.000 0.459 379 G N 3.331 111.922 108.800 -0.348 0.000 2.132 379 G HA2 -0.273 3.688 3.960 0.001 0.000 0.228 379 G HA3 -0.273 3.688 3.960 0.001 0.000 0.228 379 G C 0.057 174.905 174.900 -0.086 0.000 1.000 379 G CA 0.354 45.376 45.100 -0.130 0.000 0.693 379 G HN 0.765 nan 8.290 nan 0.000 0.515 380 S N -1.183 114.443 115.700 -0.122 0.000 2.745 380 S HA 0.844 5.314 4.470 0.001 0.000 0.292 380 S C 0.282 174.894 174.600 0.019 0.000 1.133 380 S CA -0.554 57.620 58.200 -0.042 0.000 0.998 380 S CB 2.214 65.384 63.200 -0.049 0.000 1.087 380 S HN 0.431 nan 8.310 nan 0.000 0.551 381 K N -0.627 119.802 120.400 0.048 0.000 2.240 381 K HA 0.792 5.112 4.320 0.001 0.000 0.237 381 K C -1.387 175.275 176.600 0.103 0.000 1.027 381 K CA -0.859 55.479 56.287 0.086 0.000 0.937 381 K CB 0.614 33.156 32.500 0.070 0.000 1.171 381 K HN 0.456 nan 8.250 nan 0.000 0.479 382 L N 0.504 121.797 121.223 0.117 0.000 3.349 382 L HA 0.232 4.573 4.340 0.001 0.000 0.265 382 L C -3.013 173.916 176.870 0.099 0.000 0.964 382 L CA -1.222 53.692 54.840 0.123 0.000 1.103 382 L CB 1.782 43.954 42.059 0.188 0.000 1.838 382 L HN 0.344 nan 8.230 nan 0.000 0.527 383 P HA 0.430 nan 4.420 nan 0.000 0.269 383 P C -1.524 175.788 177.300 0.021 0.000 1.209 383 P CA -0.108 63.027 63.100 0.058 0.000 0.776 383 P CB 0.748 32.489 31.700 0.069 0.000 0.876 384 L N 2.526 123.732 121.223 -0.029 0.000 2.431 384 L HA 0.797 5.138 4.340 0.001 0.000 0.266 384 L C -0.519 176.165 176.870 -0.310 0.000 0.978 384 L CA -0.217 54.541 54.840 -0.136 0.000 0.822 384 L CB 1.943 43.916 42.059 -0.145 0.000 1.310 384 L HN 0.493 nan 8.230 nan 0.000 0.409 385 G N 5.529 114.085 108.800 -0.406 0.000 2.760 385 G HA2 0.559 4.519 3.960 0.001 0.000 0.285 385 G HA3 0.559 4.519 3.960 0.001 0.000 0.285 385 G C -1.205 173.383 174.900 -0.519 0.000 1.496 385 G CA -0.316 44.189 45.100 -0.992 0.000 1.026 385 G HN 0.528 nan 8.290 nan 0.000 0.536 386 I N 2.757 122.996 120.570 -0.551 0.000 2.312 386 I HA 0.313 4.484 4.170 0.001 0.000 0.290 386 I C -0.692 175.441 176.117 0.027 0.000 1.008 386 I CA -0.726 60.461 61.300 -0.189 0.000 1.226 386 I CB 1.729 39.625 38.000 -0.173 0.000 1.371 386 I HN 0.211 nan 8.210 nan 0.000 0.468 387 L N 8.706 130.016 121.223 0.144 0.000 2.319 387 L HA 0.520 4.860 4.340 0.001 0.000 0.281 387 L C -0.760 176.214 176.870 0.172 0.000 1.005 387 L CA -0.379 54.617 54.840 0.259 0.000 0.828 387 L CB 1.599 43.907 42.059 0.415 0.000 1.227 387 L HN 0.284 nan 8.230 nan 0.000 0.415 388 V N 4.318 124.328 119.914 0.161 0.000 2.334 388 V HA 0.416 4.537 4.120 0.001 0.000 0.281 388 V C -0.742 175.428 176.094 0.126 0.000 1.016 388 V CA -0.711 61.664 62.300 0.125 0.000 0.832 388 V CB 1.253 33.143 31.823 0.111 0.000 0.999 388 V HN 0.615 nan 8.190 nan 0.000 0.439 389 D N 5.079 125.552 120.400 0.121 0.000 2.277 389 D HA 0.474 5.115 4.640 0.001 0.000 0.249 389 D C -0.258 176.110 176.300 0.114 0.000 1.134 389 D CA -0.095 53.977 54.000 0.120 0.000 0.863 389 D CB 1.599 42.470 40.800 0.119 0.000 1.143 389 D HN 0.177 nan 8.370 nan 0.000 0.458 390 I N 2.344 122.982 120.570 0.114 0.000 2.530 390 I HA 0.322 4.493 4.170 0.001 0.000 0.297 390 I C -0.753 175.465 176.117 0.169 0.000 1.011 390 I CA -0.865 60.504 61.300 0.115 0.000 1.107 390 I CB 1.351 39.389 38.000 0.064 0.000 1.285 390 I HN 0.321 nan 8.210 nan 0.000 0.436 391 Y N 3.816 124.141 120.300 0.042 0.000 2.386 391 Y HA 0.739 5.290 4.550 0.001 0.000 0.334 391 Y C -0.434 175.493 175.900 0.045 0.000 1.002 391 Y CA -0.641 57.483 58.100 0.040 0.000 1.068 391 Y CB 2.025 40.506 38.460 0.035 0.000 1.203 391 Y HN 0.664 nan 8.280 nan 0.000 0.443 392 G N 5.220 113.566 108.800 -0.756 0.000 2.733 392 G HA2 0.256 4.217 3.960 0.001 0.000 0.297 392 G HA3 0.256 4.217 3.960 0.001 0.000 0.297 392 G C -0.533 174.096 174.900 -0.452 0.000 1.452 392 G CA -0.923 43.861 45.100 -0.526 0.000 0.940 392 G HN 0.780 nan 8.290 nan 0.000 0.547 393 R N 0.224 120.538 120.500 -0.309 0.000 2.249 393 R HA -0.041 4.300 4.340 0.001 0.000 0.230 393 R C 0.861 177.116 176.300 -0.074 0.000 1.121 393 R CA 1.049 57.053 56.100 -0.161 0.000 0.997 393 R CB 0.058 30.314 30.300 -0.073 0.000 0.867 393 R HN 0.365 nan 8.270 nan 0.000 0.465 394 K N 0.024 120.400 120.400 -0.040 0.000 2.506 394 K HA 0.183 4.504 4.320 0.001 0.000 0.204 394 K C -0.280 176.386 176.600 0.110 0.000 1.045 394 K CA -0.515 55.802 56.287 0.050 0.000 1.074 394 K CB 0.606 33.167 32.500 0.100 0.000 0.842 394 K HN -0.020 nan 8.250 nan 0.000 0.514 395 M N 1.827 121.441 119.600 0.023 0.000 2.243 395 M HA 0.092 4.573 4.480 0.001 0.000 0.341 395 M C -0.659 175.602 176.300 -0.065 0.000 1.130 395 M CA 0.857 56.190 55.300 0.056 0.000 1.162 395 M CB 0.535 33.125 32.600 -0.016 0.000 1.497 395 M HN 0.031 nan 8.290 nan 0.000 0.456 396 Q N 1.784 121.488 119.800 -0.159 0.000 2.501 396 Q HA 0.650 4.990 4.340 0.001 0.000 0.288 396 Q C 0.269 176.153 176.000 -0.193 0.000 1.051 396 Q CA -0.378 55.230 55.803 -0.325 0.000 0.788 396 Q CB 1.635 29.896 28.738 -0.795 0.000 1.469 396 Q HN 0.846 nan 8.270 nan 0.000 0.416 397 A N 0.481 123.214 122.820 -0.145 0.000 1.933 397 A HA -0.186 4.135 4.320 0.001 0.000 0.218 397 A C 1.098 178.661 177.584 -0.035 0.000 1.175 397 A CA 1.993 53.995 52.037 -0.058 0.000 0.628 397 A CB -0.300 18.676 19.000 -0.039 0.000 0.814 397 A HN 0.741 nan 8.150 nan 0.000 0.444 398 D N -0.844 119.496 120.400 -0.100 0.000 2.219 398 D HA -0.050 4.591 4.640 0.001 0.000 0.205 398 D C 1.409 177.825 176.300 0.193 0.000 0.970 398 D CA 0.804 54.812 54.000 0.012 0.000 0.851 398 D CB -0.339 40.454 40.800 -0.011 0.000 0.943 398 D HN 0.664 nan 8.370 nan 0.000 0.488 399 F N 0.807 120.747 119.950 -0.016 0.000 2.710 399 F HA 0.050 4.578 4.527 0.001 0.000 0.298 399 F C 2.107 177.847 175.800 -0.100 0.000 1.137 399 F CA -0.064 57.895 58.000 -0.068 0.000 1.444 399 F CB 0.192 39.136 39.000 -0.092 0.000 1.111 399 F HN -0.060 nan 8.300 nan 0.000 0.580 400 E N 0.704 120.977 120.200 0.121 0.000 2.085 400 E HA -0.173 4.178 4.350 0.001 0.000 0.194 400 E C 2.534 179.162 176.600 0.046 0.000 0.994 400 E CA 1.118 57.553 56.400 0.058 0.000 0.801 400 E CB -0.447 29.291 29.700 0.063 0.000 0.743 400 E HN 0.444 nan 8.360 nan 0.000 0.453 401 G N 1.089 109.931 108.800 0.072 0.000 2.422 401 G HA2 -0.217 3.744 3.960 0.001 0.000 0.218 401 G HA3 -0.217 3.744 3.960 0.001 0.000 0.218 401 G C 1.770 176.684 174.900 0.025 0.000 1.146 401 G CA 0.671 45.806 45.100 0.058 0.000 0.769 401 G HN 0.105 nan 8.290 nan 0.000 0.547 402 V N 0.760 120.688 119.914 0.023 0.000 2.255 402 V HA -0.157 3.964 4.120 0.001 0.000 0.247 402 V C 2.874 178.906 176.094 -0.104 0.000 1.051 402 V CA 1.528 63.817 62.300 -0.019 0.000 1.018 402 V CB -0.481 31.313 31.823 -0.048 0.000 0.641 402 V HN 0.245 nan 8.190 nan 0.000 0.445 403 L N -0.104 120.958 121.223 -0.269 0.000 2.056 403 L HA -0.145 4.196 4.340 0.001 0.000 0.207 403 L C 2.493 179.303 176.870 -0.101 0.000 1.078 403 L CA 2.039 56.672 54.840 -0.346 0.000 0.749 403 L CB -1.007 40.799 42.059 -0.422 0.000 0.901 403 L HN 0.449 nan 8.230 nan 0.000 0.433 404 E N -0.079 120.093 120.200 -0.047 0.000 2.160 404 E HA -0.287 4.064 4.350 0.001 0.000 0.195 404 E C 2.406 178.983 176.600 -0.038 0.000 0.991 404 E CA 1.047 57.447 56.400 -0.000 0.000 0.810 404 E CB -0.029 29.701 29.700 0.051 0.000 0.742 404 E HN 0.337 nan 8.360 nan 0.000 0.466 405 R N 0.038 120.508 120.500 -0.050 0.000 2.120 405 R HA -0.080 4.261 4.340 0.001 0.000 0.234 405 R C 1.841 178.058 176.300 -0.140 0.000 1.123 405 R CA 0.966 57.026 56.100 -0.065 0.000 0.975 405 R CB 0.080 30.360 30.300 -0.033 0.000 0.866 405 R HN 0.052 nan 8.270 nan 0.000 0.446 406 R N 0.418 120.777 120.500 -0.235 0.000 2.276 406 R HA 0.014 4.355 4.340 0.001 0.000 0.203 406 R C 2.033 177.816 176.300 -0.860 0.000 1.017 406 R CA 0.479 56.210 56.100 -0.615 0.000 1.010 406 R CB -0.343 29.507 30.300 -0.749 0.000 0.900 406 R HN 0.379 nan 8.270 nan 0.000 0.469 407 I N 0.283 120.621 120.570 -0.387 0.000 2.264 407 I HA -0.321 3.850 4.170 0.001 0.000 0.248 407 I C 2.497 178.390 176.117 -0.373 0.000 1.111 407 I CA 1.510 62.677 61.300 -0.222 0.000 1.382 407 I CB -0.431 37.508 38.000 -0.102 0.000 1.060 407 I HN 0.181 nan 8.210 nan 0.000 0.418 408 H N 1.532 120.256 119.070 -0.577 0.000 2.319 408 H HA -0.209 4.348 4.556 0.001 0.000 0.299 408 H C 1.811 176.903 175.328 -0.394 0.000 1.092 408 H CA 2.223 57.847 56.048 -0.707 0.000 1.302 408 H CB -0.167 29.373 29.762 -0.369 0.000 1.373 408 H HN 0.298 nan 8.280 nan 0.000 0.497 409 D N -0.257 119.855 120.400 -0.480 0.000 2.103 409 D HA -0.129 4.512 4.640 0.001 0.000 0.199 409 D C 2.125 178.262 176.300 -0.271 0.000 0.978 409 D CA 0.919 54.660 54.000 -0.432 0.000 0.829 409 D CB -0.444 40.103 40.800 -0.421 0.000 0.981 409 D HN 0.345 nan 8.370 nan 0.000 0.464 410 F N 1.421 121.248 119.950 -0.204 0.000 2.120 410 F HA -0.107 4.420 4.527 0.001 0.000 0.300 410 F C 2.522 178.408 175.800 0.143 0.000 1.095 410 F CA 0.236 58.209 58.000 -0.044 0.000 1.249 410 F CB -0.994 38.027 39.000 0.036 0.000 0.995 410 F HN -0.033 nan 8.300 nan 0.000 0.480 411 I N -0.458 120.248 120.570 0.227 0.000 2.333 411 I HA -0.231 3.940 4.170 0.001 0.000 0.246 411 I C 2.132 178.372 176.117 0.205 0.000 1.106 411 I CA 0.807 62.262 61.300 0.257 0.000 1.411 411 I CB -0.463 37.621 38.000 0.139 0.000 1.082 411 I HN 0.076 nan 8.210 nan 0.000 0.420 412 N N 0.508 119.236 118.700 0.047 0.000 2.289 412 N HA -0.189 4.552 4.740 0.001 0.000 0.184 412 N C 1.737 177.335 175.510 0.145 0.000 1.016 412 N CA 1.327 54.405 53.050 0.047 0.000 0.872 412 N CB -0.248 38.160 38.487 -0.132 0.000 0.973 412 N HN 0.469 nan 8.380 nan 0.000 0.433 413 Y N 0.804 120.998 120.300 -0.177 0.000 2.483 413 Y HA -0.025 4.526 4.550 0.001 0.000 0.291 413 Y C 1.668 177.339 175.900 -0.383 0.000 1.143 413 Y CA -0.279 57.538 58.100 -0.471 0.000 1.289 413 Y CB -0.035 37.724 38.460 -1.169 0.000 0.983 413 Y HN -0.034 nan 8.280 nan 0.000 0.556 414 G N 1.301 110.176 108.800 0.125 0.000 2.380 414 G HA2 0.055 4.016 3.960 0.001 0.000 0.262 414 G HA3 0.055 4.016 3.960 0.001 0.000 0.262 414 G C -0.758 174.148 174.900 0.010 0.000 1.243 414 G CA -0.511 44.728 45.100 0.232 0.000 0.865 414 G HN 0.281 nan 8.290 nan 0.000 0.513 415 E N 1.587 121.618 120.200 -0.281 0.000 2.159 415 E HA 0.397 4.747 4.350 0.001 0.000 0.272 415 E C 1.260 177.708 176.600 -0.253 0.000 1.138 415 E CA 0.572 56.655 56.400 -0.528 0.000 0.915 415 E CB -0.282 28.619 29.700 -1.332 0.000 1.028 415 E HN 0.863 nan 8.360 nan 0.000 0.423 416 G N 4.092 112.832 108.800 -0.101 0.000 2.192 416 G HA2 -0.202 3.759 3.960 0.001 0.000 0.193 416 G HA3 -0.202 3.759 3.960 0.001 0.000 0.193 416 G C -0.071 174.781 174.900 -0.079 0.000 0.999 416 G CA -0.096 44.949 45.100 -0.092 0.000 0.659 416 G HN 0.481 nan 8.290 nan 0.000 0.503 417 L N -0.423 120.782 121.223 -0.030 0.000 2.322 417 L HA 0.799 5.140 4.340 0.001 0.000 0.281 417 L C -0.237 176.773 176.870 0.234 0.000 1.014 417 L CA -1.156 53.714 54.840 0.049 0.000 0.815 417 L CB 1.484 43.554 42.059 0.019 0.000 1.247 417 L HN 0.202 nan 8.230 nan 0.000 0.421 418 W N 3.911 125.248 121.300 0.063 0.000 2.936 418 W HA 0.569 5.230 4.660 0.001 0.000 0.338 418 W C -1.145 175.446 176.519 0.120 0.000 1.121 418 W CA -0.283 57.090 57.345 0.047 0.000 1.209 418 W CB 1.256 30.690 29.460 -0.044 0.000 1.420 418 W HN 0.480 nan 8.180 nan 0.000 0.516 419 H N 2.705 121.261 119.070 -0.857 0.000 3.086 419 H HA 0.467 5.024 4.556 0.001 0.000 0.353 419 H C -1.450 173.378 175.328 -0.835 0.000 1.134 419 H CA 0.012 55.616 56.048 -0.741 0.000 1.248 419 H CB 1.774 31.403 29.762 -0.221 0.000 1.878 419 H HN 0.531 nan 8.280 nan 0.000 0.527 420 T N 1.064 115.034 114.554 -0.973 0.000 2.868 420 T HA 0.662 5.013 4.350 0.001 0.000 0.306 420 T C 0.413 174.850 174.700 -0.438 0.000 1.224 420 T CA -0.120 61.688 62.100 -0.487 0.000 1.012 420 T CB 1.877 70.476 68.868 -0.448 0.000 1.221 420 T HN 1.278 nan 8.240 nan 0.000 0.499 421 G N 0.974 109.633 108.800 -0.236 0.000 2.681 421 G HA2 0.306 4.267 3.960 0.001 0.000 0.220 421 G HA3 0.306 4.267 3.960 0.001 0.000 0.220 421 G C -0.773 174.083 174.900 -0.073 0.000 1.353 421 G CA 0.414 45.432 45.100 -0.137 0.000 0.872 421 G HN 1.679 nan 8.290 nan 0.000 0.557 422 Q N -2.007 117.761 119.800 -0.053 0.000 2.782 422 Q HA 0.760 5.101 4.340 0.001 0.000 0.308 422 Q C 0.774 176.736 176.000 -0.063 0.000 0.883 422 Q CA -0.203 55.592 55.803 -0.013 0.000 0.755 422 Q CB 1.213 29.911 28.738 -0.068 0.000 1.454 422 Q HN 1.234 nan 8.270 nan 0.000 0.452 423 R N 0.182 120.631 120.500 -0.085 0.000 3.772 423 R HA -0.339 4.002 4.340 0.001 0.000 0.480 423 R C 0.277 176.648 176.300 0.118 0.000 0.241 423 R CA 2.331 58.301 56.100 -0.217 0.000 1.508 423 R CB -1.622 28.131 30.300 -0.912 0.000 0.956 423 R HN 1.050 nan 8.270 nan 0.000 0.583 424 N N 1.041 119.818 118.700 0.128 0.000 2.295 424 N HA 0.226 4.967 4.740 0.001 0.000 0.221 424 N C 0.482 176.061 175.510 0.115 0.000 1.129 424 N CA -0.086 53.128 53.050 0.273 0.000 0.836 424 N CB 0.254 38.961 38.487 0.367 0.000 1.040 424 N HN 0.362 nan 8.380 nan 0.000 0.494 425 I N -0.370 120.220 120.570 0.034 0.000 3.569 425 I HA 0.145 4.315 4.170 0.001 0.000 0.334 425 I C 0.025 176.142 176.117 -0.001 0.000 1.570 425 I CA -0.606 60.695 61.300 0.002 0.000 1.082 425 I CB -0.392 37.588 38.000 -0.034 0.000 1.323 425 I HN 0.191 nan 8.210 nan 0.000 0.489 426 N N 1.314 120.023 118.700 0.015 0.000 2.294 426 N HA 0.135 4.875 4.740 0.001 0.000 0.248 426 N C -1.040 174.510 175.510 0.066 0.000 1.300 426 N CA 0.118 53.144 53.050 -0.040 0.000 0.925 426 N CB 0.710 39.185 38.487 -0.021 0.000 1.188 426 N HN 0.172 nan 8.380 nan 0.000 0.512 427 W N 1.681 122.817 121.300 -0.273 0.000 3.330 427 W HA 0.291 4.952 4.660 0.001 0.000 0.306 427 W C -2.304 174.141 176.519 -0.123 0.000 1.100 427 W CA -0.483 56.803 57.345 -0.098 0.000 1.250 427 W CB -0.364 29.100 29.460 0.006 0.000 1.026 427 W HN 0.167 nan 8.180 nan 0.000 0.356 428 L N 4.946 126.359 121.223 0.317 0.000 2.332 428 L HA 0.712 5.052 4.340 0.001 0.000 0.269 428 L C 0.259 177.387 176.870 0.430 0.000 1.016 428 L CA -1.018 53.978 54.840 0.260 0.000 0.809 428 L CB 1.933 44.126 42.059 0.222 0.000 1.280 428 L HN 0.401 nan 8.230 nan 0.000 0.447 429 R N 0.301 121.072 120.500 0.452 0.000 2.604 429 R HA 0.639 4.980 4.340 0.001 0.000 0.270 429 R C -1.672 174.807 176.300 0.299 0.000 1.052 429 R CA -0.626 55.689 56.100 0.358 0.000 0.902 429 R CB 2.724 33.158 30.300 0.224 0.000 1.233 429 R HN 0.314 nan 8.270 nan 0.000 0.455 430 V N 1.970 122.037 119.914 0.255 0.000 2.531 430 V HA 0.290 4.411 4.120 0.001 0.000 0.301 430 V C 0.212 176.394 176.094 0.147 0.000 1.034 430 V CA -0.841 61.558 62.300 0.164 0.000 0.865 430 V CB 1.801 33.779 31.823 0.258 0.000 0.995 430 V HN 0.940 nan 8.190 nan 0.000 0.424 431 S N 3.606 119.338 115.700 0.052 0.000 2.585 431 S HA 0.215 4.686 4.470 0.001 0.000 0.273 431 S C 1.016 175.655 174.600 0.065 0.000 1.339 431 S CA -0.282 57.950 58.200 0.053 0.000 1.028 431 S CB 0.794 63.993 63.200 -0.001 0.000 0.906 431 S HN 0.879 nan 8.310 nan 0.000 0.528 432 K N 0.672 121.134 120.400 0.103 0.000 2.283 432 K HA -0.127 4.194 4.320 0.001 0.000 0.202 432 K C 1.111 177.677 176.600 -0.057 0.000 1.048 432 K CA 1.341 57.665 56.287 0.063 0.000 0.948 432 K CB -0.330 32.272 32.500 0.169 0.000 0.742 432 K HN 0.612 nan 8.250 nan 0.000 0.458 433 D N 1.457 121.836 120.400 -0.035 0.000 2.144 433 D HA -0.053 4.588 4.640 0.001 0.000 0.200 433 D C 1.927 178.179 176.300 -0.081 0.000 0.978 433 D CA 1.305 55.271 54.000 -0.058 0.000 0.833 433 D CB 0.010 40.779 40.800 -0.051 0.000 0.961 433 D HN 0.293 nan 8.370 nan 0.000 0.470 434 A N -0.009 122.758 122.820 -0.087 0.000 1.898 434 A HA -0.078 4.243 4.320 0.001 0.000 0.216 434 A C 2.541 180.099 177.584 -0.042 0.000 1.181 434 A CA 1.528 53.508 52.037 -0.095 0.000 0.620 434 A CB -0.722 18.167 19.000 -0.184 0.000 0.819 434 A HN 0.185 nan 8.150 nan 0.000 0.442 435 V N 0.028 119.881 119.914 -0.101 0.000 2.343 435 V HA -0.248 3.873 4.120 0.001 0.000 0.247 435 V C 3.034 179.008 176.094 -0.200 0.000 1.051 435 V CA 1.881 64.061 62.300 -0.199 0.000 1.036 435 V CB -1.364 30.065 31.823 -0.656 0.000 0.654 435 V HN 0.595 nan 8.190 nan 0.000 0.451 436 A N -0.158 122.551 122.820 -0.184 0.000 1.940 436 A HA -0.243 4.078 4.320 0.001 0.000 0.219 436 A C 2.257 179.788 177.584 -0.089 0.000 1.176 436 A CA 1.919 53.878 52.037 -0.130 0.000 0.631 436 A CB -0.447 18.496 19.000 -0.096 0.000 0.814 436 A HN 0.570 nan 8.150 nan 0.000 0.446 437 K N -1.860 118.497 120.400 -0.071 0.000 2.365 437 K HA 0.124 4.445 4.320 0.001 0.000 0.199 437 K C 1.058 177.634 176.600 -0.041 0.000 1.045 437 K CA 0.607 56.864 56.287 -0.050 0.000 0.962 437 K CB -0.060 32.413 32.500 -0.045 0.000 0.759 437 K HN 0.690 nan 8.250 nan 0.000 0.469 438 G N 1.069 109.842 108.800 -0.046 0.000 2.198 438 G HA2 -0.215 3.746 3.960 0.001 0.000 0.156 438 G HA3 -0.215 3.746 3.960 0.001 0.000 0.156 438 G C -0.269 174.597 174.900 -0.055 0.000 1.012 438 G CA -0.683 44.381 45.100 -0.060 0.000 0.692 438 G HN 0.235 nan 8.290 nan 0.000 0.492 439 F N 2.332 122.190 119.950 -0.153 0.000 2.543 439 F HA 0.737 5.265 4.527 0.001 0.000 0.375 439 F C 0.459 176.136 175.800 -0.204 0.000 1.075 439 F CA -0.239 57.666 58.000 -0.158 0.000 1.225 439 F CB 0.581 39.492 39.000 -0.148 0.000 1.099 439 F HN 0.093 nan 8.300 nan 0.000 0.561 440 R N 5.137 124.952 120.500 -1.142 0.000 2.795 440 R HA 0.337 4.677 4.340 0.001 0.000 0.275 440 R C 0.460 176.096 176.300 -1.107 0.000 0.981 440 R CA -0.765 54.754 56.100 -0.967 0.000 0.917 440 R CB 0.722 30.728 30.300 -0.489 0.000 1.202 440 R HN 0.757 nan 8.270 nan 0.000 0.469 441 F N 0.974 120.514 119.950 -0.684 0.000 2.271 441 F HA -0.313 4.215 4.527 0.001 0.000 0.302 441 F C 2.139 177.798 175.800 -0.236 0.000 1.063 441 F CA 0.972 58.736 58.000 -0.394 0.000 1.362 441 F CB 0.125 39.087 39.000 -0.063 0.000 1.060 441 F HN 0.481 nan 8.300 nan 0.000 0.521 442 K N 1.313 121.657 120.400 -0.093 0.000 2.103 442 K HA -0.216 4.105 4.320 0.001 0.000 0.207 442 K C 1.388 177.961 176.600 -0.045 0.000 1.048 442 K CA 1.831 58.085 56.287 -0.055 0.000 0.930 442 K CB -0.287 32.154 32.500 -0.098 0.000 0.716 442 K HN 0.378 nan 8.250 nan 0.000 0.444 443 N N -0.689 117.916 118.700 -0.159 0.000 2.205 443 N HA -0.183 4.558 4.740 0.001 0.000 0.186 443 N C 1.442 177.055 175.510 0.172 0.000 1.015 443 N CA 1.041 54.074 53.050 -0.030 0.000 0.862 443 N CB -0.151 38.314 38.487 -0.036 0.000 0.986 443 N HN 0.153 nan 8.380 nan 0.000 0.429 444 Y N 1.167 121.590 120.300 0.205 0.000 2.128 444 Y HA -0.139 4.411 4.550 0.001 0.000 0.284 444 Y C 2.636 178.601 175.900 0.108 0.000 1.154 444 Y CA 1.219 59.452 58.100 0.222 0.000 1.149 444 Y CB -1.100 37.478 38.460 0.198 0.000 0.976 444 Y HN 0.063 nan 8.280 nan 0.000 0.505 445 G N -0.632 108.309 108.800 0.234 0.000 2.418 445 G HA2 -0.230 3.730 3.960 0.001 0.000 0.217 445 G HA3 -0.230 3.730 3.960 0.001 0.000 0.217 445 G C 1.539 176.478 174.900 0.064 0.000 1.158 445 G CA 0.969 46.138 45.100 0.115 0.000 0.771 445 G HN 0.433 nan 8.290 nan 0.000 0.545 446 E N 0.031 120.256 120.200 0.042 0.000 2.085 446 E HA -0.096 4.254 4.350 0.001 0.000 0.194 446 E C 2.484 179.052 176.600 -0.053 0.000 0.994 446 E CA 0.713 57.105 56.400 -0.014 0.000 0.801 446 E CB -0.153 29.528 29.700 -0.032 0.000 0.743 446 E HN 0.497 nan 8.360 nan 0.000 0.453 447 I N 0.950 121.505 120.570 -0.026 0.000 2.142 447 I HA -0.291 3.880 4.170 0.001 0.000 0.240 447 I C 2.391 178.453 176.117 -0.091 0.000 1.078 447 I CA 1.067 62.305 61.300 -0.103 0.000 1.343 447 I CB -0.264 37.763 38.000 0.044 0.000 1.046 447 I HN 0.112 nan 8.210 nan 0.000 0.405 448 L N -0.043 121.198 121.223 0.030 0.000 2.079 448 L HA -0.211 4.130 4.340 0.001 0.000 0.210 448 L C 2.595 179.445 176.870 -0.033 0.000 1.081 448 L CA 1.042 55.904 54.840 0.038 0.000 0.752 448 L CB -0.686 41.446 42.059 0.122 0.000 0.896 448 L HN 0.122 nan 8.230 nan 0.000 0.433 449 V N 0.177 120.077 119.914 -0.024 0.000 2.237 449 V HA -0.306 3.815 4.120 0.001 0.000 0.245 449 V C 2.769 178.821 176.094 -0.071 0.000 1.046 449 V CA 2.003 64.288 62.300 -0.025 0.000 1.007 449 V CB -0.869 30.946 31.823 -0.014 0.000 0.638 449 V HN 0.488 nan 8.190 nan 0.000 0.445 450 A N -0.506 122.246 122.820 -0.113 0.000 1.902 450 A HA -0.186 4.135 4.320 0.001 0.000 0.217 450 A C 2.260 179.719 177.584 -0.208 0.000 1.181 450 A CA 1.632 53.586 52.037 -0.139 0.000 0.623 450 A CB -0.390 18.516 19.000 -0.156 0.000 0.818 450 A HN 0.425 nan 8.150 nan 0.000 0.443 451 K N -0.767 119.413 120.400 -0.368 0.000 2.062 451 K HA 0.008 4.328 4.320 0.001 0.000 0.205 451 K C 2.015 178.307 176.600 -0.512 0.000 1.051 451 K CA 1.031 56.914 56.287 -0.674 0.000 0.941 451 K CB -0.520 31.076 32.500 -1.507 0.000 0.719 451 K HN 0.405 nan 8.250 nan 0.000 0.440 452 M N 1.266 120.704 119.600 -0.271 0.000 2.108 452 M HA -0.143 4.337 4.480 0.001 0.000 0.261 452 M C 1.922 178.310 176.300 0.146 0.000 1.066 452 M CA 1.616 56.980 55.300 0.106 0.000 1.107 452 M CB -0.730 31.939 32.600 0.114 0.000 1.356 452 M HN 0.099 nan 8.290 nan 0.000 0.406 453 K N -0.320 120.098 120.400 0.031 0.000 2.057 453 K HA -0.164 4.157 4.320 0.001 0.000 0.206 453 K C 2.034 178.644 176.600 0.018 0.000 1.050 453 K CA 1.157 57.467 56.287 0.039 0.000 0.935 453 K CB -0.157 32.348 32.500 0.008 0.000 0.715 453 K HN 0.390 nan 8.250 nan 0.000 0.439 454 E N 0.910 121.086 120.200 -0.041 0.000 2.051 454 E HA -0.194 4.157 4.350 0.001 0.000 0.192 454 E C 1.747 178.299 176.600 -0.080 0.000 0.991 454 E CA 1.094 57.458 56.400 -0.059 0.000 0.799 454 E CB 0.272 29.920 29.700 -0.087 0.000 0.748 454 E HN 0.207 nan 8.360 nan 0.000 0.449 455 E N -0.426 119.708 120.200 -0.110 0.000 2.152 455 E HA -0.108 4.243 4.350 0.001 0.000 0.192 455 E C 0.314 176.579 176.600 -0.559 0.000 0.983 455 E CA 0.744 56.955 56.400 -0.315 0.000 0.818 455 E CB 0.041 29.564 29.700 -0.295 0.000 0.758 455 E HN 0.250 nan 8.360 nan 0.000 0.467 456 F N 0.857 120.806 119.950 -0.002 0.000 2.471 456 F HA 0.342 4.870 4.527 0.001 0.000 0.318 456 F C -2.342 173.441 175.800 -0.029 0.000 1.308 456 F CA -2.631 55.351 58.000 -0.029 0.000 1.162 456 F CB 0.960 39.943 39.000 -0.027 0.000 1.383 456 F HN -0.254 nan 8.300 nan 0.000 0.552 457 P HA 0.196 nan 4.420 nan 0.000 0.269 457 P C 0.741 178.071 177.300 0.051 0.000 1.209 457 P CA 1.105 64.234 63.100 0.049 0.000 0.776 457 P CB 1.410 33.118 31.700 0.013 0.000 0.876 458 A N 2.484 125.326 122.820 0.038 0.000 2.079 458 A HA -0.291 4.030 4.320 0.001 0.000 0.230 458 A C 1.632 179.232 177.584 0.027 0.000 0.537 458 A CA 1.737 53.789 52.037 0.025 0.000 1.134 458 A CB -2.863 16.152 19.000 0.026 0.000 1.423 458 A HN 0.507 nan 8.150 nan 0.000 0.706 459 I N -0.219 120.390 120.570 0.065 0.000 2.546 459 I HA -0.028 4.143 4.170 0.001 0.000 0.255 459 I C 0.203 176.344 176.117 0.040 0.000 1.163 459 I CA 1.371 62.721 61.300 0.083 0.000 1.457 459 I CB 0.101 38.166 38.000 0.107 0.000 1.092 459 I HN 0.256 nan 8.210 nan 0.000 0.434 460 V N 1.488 121.437 119.914 0.059 0.000 2.349 460 V HA 0.192 4.313 4.120 0.001 0.000 0.284 460 V C -0.254 175.867 176.094 0.044 0.000 1.014 460 V CA -0.405 61.924 62.300 0.050 0.000 0.826 460 V CB 1.490 33.370 31.823 0.096 0.000 1.009 460 V HN 0.110 nan 8.190 nan 0.000 0.431 461 D N 3.260 123.676 120.400 0.026 0.000 2.423 461 D HA 0.208 4.849 4.640 0.001 0.000 0.212 461 D C 0.645 177.019 176.300 0.123 0.000 1.060 461 D CA 0.373 54.410 54.000 0.062 0.000 0.872 461 D CB 0.978 41.803 40.800 0.042 0.000 1.012 461 D HN 0.449 nan 8.370 nan 0.000 0.503 462 R N 0.214 120.812 120.500 0.163 0.000 2.584 462 R HA 0.613 4.953 4.340 0.001 0.000 0.276 462 R C -1.298 175.083 176.300 0.135 0.000 1.046 462 R CA -0.621 55.579 56.100 0.166 0.000 0.906 462 R CB 3.085 33.528 30.300 0.239 0.000 1.215 462 R HN -0.245 nan 8.270 nan 0.000 0.449 463 V N 1.686 121.655 119.914 0.092 0.000 2.789 463 V HA 0.450 4.571 4.120 0.001 0.000 0.311 463 V C -0.746 175.387 176.094 0.064 0.000 1.073 463 V CA -0.861 61.487 62.300 0.080 0.000 0.921 463 V CB 2.054 33.914 31.823 0.062 0.000 1.009 463 V HN 0.702 nan 8.190 nan 0.000 0.426 464 Q N 2.239 122.081 119.800 0.069 0.000 2.285 464 Q HA 0.762 5.103 4.340 0.001 0.000 0.269 464 Q C -2.100 173.935 176.000 0.060 0.000 1.030 464 Q CA -0.408 55.428 55.803 0.055 0.000 0.788 464 Q CB 2.567 31.340 28.738 0.058 0.000 1.266 464 Q HN 0.627 nan 8.270 nan 0.000 0.438 465 V N 2.442 122.379 119.914 0.039 0.000 2.604 465 V HA 0.625 4.746 4.120 0.001 0.000 0.305 465 V C -0.612 175.471 176.094 -0.018 0.000 1.043 465 V CA -0.526 61.794 62.300 0.034 0.000 0.888 465 V CB 2.206 34.054 31.823 0.042 0.000 0.995 465 V HN 0.847 nan 8.190 nan 0.000 0.429 466 T N 5.201 119.726 114.554 -0.048 0.000 2.879 466 T HA 0.643 4.994 4.350 0.001 0.000 0.290 466 T C -0.728 173.788 174.700 -0.308 0.000 0.993 466 T CA -0.198 61.757 62.100 -0.241 0.000 0.975 466 T CB 1.237 69.898 68.868 -0.345 0.000 0.981 466 T HN 0.322 nan 8.240 nan 0.000 0.439 467 I N 3.734 124.094 120.570 -0.350 0.000 2.330 467 I HA 0.391 4.562 4.170 0.001 0.000 0.286 467 I C -0.666 175.231 176.117 -0.366 0.000 1.025 467 I CA -0.462 60.682 61.300 -0.260 0.000 1.197 467 I CB 0.155 38.089 38.000 -0.110 0.000 1.358 467 I HN 0.510 nan 8.210 nan 0.000 0.467 468 F N 4.033 123.868 119.950 -0.193 0.000 2.411 468 F HA 0.358 4.885 4.527 0.001 0.000 0.355 468 F C 1.432 177.156 175.800 -0.128 0.000 1.117 468 F CA -0.406 57.502 58.000 -0.153 0.000 1.139 468 F CB 1.076 39.962 39.000 -0.189 0.000 1.120 468 F HN 0.545 nan 8.300 nan 0.000 0.493 469 T N -2.603 112.007 114.554 0.093 0.000 3.040 469 T HA 0.097 4.448 4.350 0.001 0.000 0.266 469 T C -0.097 174.675 174.700 0.119 0.000 1.005 469 T CA -0.386 61.765 62.100 0.085 0.000 0.906 469 T CB -0.298 68.653 68.868 0.139 0.000 1.082 469 T HN 0.412 nan 8.240 nan 0.000 0.531 470 D N 1.771 122.257 120.400 0.144 0.000 2.295 470 D HA 0.166 4.807 4.640 0.001 0.000 0.248 470 D C 1.216 177.591 176.300 0.125 0.000 1.154 470 D CA -0.341 53.739 54.000 0.133 0.000 0.857 470 D CB 1.290 42.179 40.800 0.149 0.000 1.117 470 D HN 0.262 nan 8.370 nan 0.000 0.468 471 E N 3.144 123.403 120.200 0.099 0.000 2.160 471 E HA -0.265 4.085 4.350 0.001 0.000 0.195 471 E C 1.552 178.204 176.600 0.085 0.000 0.991 471 E CA 1.269 57.721 56.400 0.086 0.000 0.810 471 E CB 0.058 29.800 29.700 0.069 0.000 0.742 471 E HN 0.619 nan 8.360 nan 0.000 0.466 472 A N 1.250 124.122 122.820 0.087 0.000 1.855 472 A HA -0.153 4.168 4.320 0.001 0.000 0.215 472 A C 2.051 179.693 177.584 0.096 0.000 1.191 472 A CA 1.329 53.415 52.037 0.081 0.000 0.613 472 A CB -0.296 18.751 19.000 0.079 0.000 0.829 472 A HN 0.048 nan 8.150 nan 0.000 0.442 473 K N -0.051 120.423 120.400 0.124 0.000 2.032 473 K HA -0.085 4.236 4.320 0.001 0.000 0.209 473 K C 2.015 178.611 176.600 -0.007 0.000 1.048 473 K CA 1.396 57.749 56.287 0.109 0.000 0.927 473 K CB -1.112 31.538 32.500 0.250 0.000 0.712 473 K HN 0.330 nan 8.250 nan 0.000 0.441 474 V N 1.836 121.784 119.914 0.057 0.000 2.332 474 V HA -0.238 3.883 4.120 0.001 0.000 0.248 474 V C 2.567 178.778 176.094 0.195 0.000 1.055 474 V CA 1.821 64.209 62.300 0.146 0.000 1.038 474 V CB -0.419 31.491 31.823 0.146 0.000 0.651 474 V HN 0.380 nan 8.190 nan 0.000 0.450 475 K N -0.171 120.296 120.400 0.112 0.000 2.148 475 K HA -0.216 4.105 4.320 0.001 0.000 0.204 475 K C 2.200 178.811 176.600 0.018 0.000 1.050 475 K CA 1.593 57.919 56.287 0.065 0.000 0.942 475 K CB -0.054 32.475 32.500 0.048 0.000 0.724 475 K HN 0.607 nan 8.250 nan 0.000 0.446 476 E N -0.360 119.867 120.200 0.045 0.000 2.007 476 E HA -0.211 4.140 4.350 0.001 0.000 0.194 476 E C 1.672 178.214 176.600 -0.097 0.000 0.999 476 E CA 1.422 57.820 56.400 -0.004 0.000 0.811 476 E CB -0.161 29.584 29.700 0.074 0.000 0.762 476 E HN 0.354 nan 8.360 nan 0.000 0.450 477 Y N 0.064 120.192 120.300 -0.287 0.000 2.352 477 Y HA -0.137 4.414 4.550 0.001 0.000 0.292 477 Y C 2.271 177.748 175.900 -0.706 0.000 1.136 477 Y CA 1.198 59.043 58.100 -0.425 0.000 1.227 477 Y CB -0.488 37.727 38.460 -0.407 0.000 0.991 477 Y HN 0.241 nan 8.280 nan 0.000 0.545 478 M N 0.488 119.823 119.600 -0.441 0.000 2.143 478 M HA -0.236 4.244 4.480 0.001 0.000 0.258 478 M C 1.571 177.605 176.300 -0.444 0.000 1.071 478 M CA 1.857 56.828 55.300 -0.549 0.000 1.088 478 M CB -0.135 32.399 32.600 -0.111 0.000 1.360 478 M HN -0.008 nan 8.290 nan 0.000 0.404 479 E N -0.655 119.355 120.200 -0.316 0.000 2.216 479 E HA -0.028 4.323 4.350 0.001 0.000 0.192 479 E C 2.228 178.636 176.600 -0.321 0.000 0.988 479 E CA 1.030 57.270 56.400 -0.266 0.000 0.834 479 E CB -0.552 29.036 29.700 -0.186 0.000 0.772 479 E HN 0.470 nan 8.360 nan 0.000 0.479 480 V N 1.614 121.302 119.914 -0.377 0.000 2.261 480 V HA -0.247 3.874 4.120 0.001 0.000 0.246 480 V C 2.435 178.284 176.094 -0.408 0.000 1.047 480 V CA 1.953 64.043 62.300 -0.351 0.000 1.015 480 V CB -0.902 30.712 31.823 -0.350 0.000 0.642 480 V HN 0.245 nan 8.190 nan 0.000 0.446 481 A N -0.063 122.406 122.820 -0.584 0.000 1.902 481 A HA -0.198 4.123 4.320 0.001 0.000 0.217 481 A C 2.321 179.204 177.584 -1.169 0.000 1.181 481 A CA 1.454 52.985 52.037 -0.844 0.000 0.623 481 A CB -0.494 17.945 19.000 -0.935 0.000 0.818 481 A HN 0.426 nan 8.150 nan 0.000 0.443 482 R N -0.220 119.802 120.500 -0.798 0.000 2.119 482 R HA -0.229 4.112 4.340 0.001 0.000 0.246 482 R C 2.087 178.205 176.300 -0.304 0.000 1.146 482 R CA 1.820 57.645 56.100 -0.458 0.000 0.962 482 R CB -0.761 29.404 30.300 -0.226 0.000 0.863 482 R HN 0.860 nan 8.270 nan 0.000 0.442 483 E N 0.692 120.720 120.200 -0.287 0.000 2.072 483 E HA -0.153 4.198 4.350 0.001 0.000 0.191 483 E C 1.751 178.268 176.600 -0.139 0.000 0.985 483 E CA 0.956 57.253 56.400 -0.171 0.000 0.801 483 E CB 0.203 29.806 29.700 -0.161 0.000 0.750 483 E HN 0.055 nan 8.360 nan 0.000 0.452 484 K N 0.140 120.413 120.400 -0.211 0.000 2.057 484 K HA -0.167 4.154 4.320 0.001 0.000 0.207 484 K C 2.124 178.764 176.600 0.067 0.000 1.049 484 K CA 1.472 57.705 56.287 -0.090 0.000 0.931 484 K CB -0.652 31.781 32.500 -0.111 0.000 0.714 484 K HN 0.459 nan 8.250 nan 0.000 0.440 485 Y N 1.316 121.600 120.300 -0.026 0.000 2.128 485 Y HA -0.240 4.311 4.550 0.001 0.000 0.284 485 Y C 2.497 178.387 175.900 -0.018 0.000 1.154 485 Y CA 0.829 58.919 58.100 -0.017 0.000 1.149 485 Y CB -0.158 38.289 38.460 -0.022 0.000 0.976 485 Y HN 0.106 nan 8.280 nan 0.000 0.505 486 K N 0.483 120.959 120.400 0.126 0.000 2.026 486 K HA -0.196 4.125 4.320 0.001 0.000 0.208 486 K C 1.824 178.447 176.600 0.040 0.000 1.048 486 K CA 1.669 57.991 56.287 0.058 0.000 0.929 486 K CB -0.253 32.258 32.500 0.017 0.000 0.713 486 K HN 0.416 nan 8.250 nan 0.000 0.439 487 E N 0.638 120.855 120.200 0.029 0.000 2.070 487 E HA -0.214 4.137 4.350 0.001 0.000 0.197 487 E C 2.162 178.784 176.600 0.036 0.000 1.004 487 E CA 1.369 57.781 56.400 0.021 0.000 0.805 487 E CB -0.013 29.692 29.700 0.009 0.000 0.744 487 E HN 0.232 nan 8.360 nan 0.000 0.451 488 R N 0.661 121.198 120.500 0.061 0.000 2.073 488 R HA -0.127 4.214 4.340 0.001 0.000 0.234 488 R C 2.050 178.380 176.300 0.050 0.000 1.134 488 R CA 1.475 57.614 56.100 0.065 0.000 0.952 488 R CB -0.183 30.173 30.300 0.093 0.000 0.850 488 R HN 0.174 nan 8.270 nan 0.000 0.433 489 D N 0.676 121.105 120.400 0.048 0.000 2.149 489 D HA -0.154 4.487 4.640 0.001 0.000 0.198 489 D C 1.347 177.658 176.300 0.018 0.000 0.990 489 D CA 1.279 55.295 54.000 0.027 0.000 0.839 489 D CB -0.241 40.573 40.800 0.022 0.000 0.948 489 D HN 0.179 nan 8.370 nan 0.000 0.460 490 D N 0.425 120.836 120.400 0.018 0.000 2.097 490 D HA -0.062 4.578 4.640 0.001 0.000 0.197 490 D C 2.195 178.502 176.300 0.010 0.000 0.984 490 D CA 0.606 54.612 54.000 0.009 0.000 0.826 490 D CB -0.172 40.631 40.800 0.006 0.000 0.973 490 D HN 0.167 nan 8.370 nan 0.000 0.460 491 R N -0.174 120.337 120.500 0.018 0.000 2.105 491 R HA -0.057 4.284 4.340 0.001 0.000 0.239 491 R C 2.179 178.492 176.300 0.021 0.000 1.135 491 R CA 0.731 56.844 56.100 0.021 0.000 0.967 491 R CB -0.159 30.160 30.300 0.032 0.000 0.861 491 R HN 0.212 nan 8.270 nan 0.000 0.442 492 M N 0.279 119.895 119.600 0.027 0.000 2.132 492 M HA -0.121 4.360 4.480 0.001 0.000 0.263 492 M C 2.049 178.352 176.300 0.006 0.000 1.065 492 M CA 1.586 56.901 55.300 0.025 0.000 1.122 492 M CB -0.611 32.008 32.600 0.031 0.000 1.365 492 M HN 0.090 nan 8.290 nan 0.000 0.411 493 R N -0.814 119.687 120.500 0.001 0.000 2.120 493 R HA -0.082 4.259 4.340 0.001 0.000 0.234 493 R C 2.040 178.332 176.300 -0.014 0.000 1.123 493 R CA 1.304 57.398 56.100 -0.009 0.000 0.975 493 R CB -0.625 29.669 30.300 -0.011 0.000 0.866 493 R HN 0.454 nan 8.270 nan 0.000 0.446 494 G N 0.413 109.206 108.800 -0.012 0.000 2.985 494 G HA2 -0.009 3.951 3.960 0.001 0.000 0.209 494 G HA3 -0.009 3.951 3.960 0.001 0.000 0.209 494 G C 0.141 175.023 174.900 -0.030 0.000 1.165 494 G CA -0.307 44.783 45.100 -0.017 0.000 0.776 494 G HN 0.042 nan 8.290 nan 0.000 0.541 495 L N 3.109 124.311 121.223 -0.036 0.000 2.314 495 L HA 0.511 4.851 4.340 0.001 0.000 0.275 495 L C 0.411 177.228 176.870 -0.088 0.000 1.068 495 L CA -0.300 54.494 54.840 -0.078 0.000 0.894 495 L CB 0.528 42.552 42.059 -0.059 0.000 1.275 495 L HN 0.094 nan 8.230 nan 0.000 0.432 496 T N -1.320 113.180 114.554 -0.090 0.000 2.910 496 T HA 0.390 4.741 4.350 0.001 0.000 0.287 496 T C 0.641 175.306 174.700 -0.059 0.000 1.050 496 T CA -0.640 61.424 62.100 -0.060 0.000 1.011 496 T CB 1.169 70.021 68.868 -0.027 0.000 1.195 496 T HN 0.279 nan 8.240 nan 0.000 0.540 497 D N 0.089 120.496 120.400 0.011 0.000 2.265 497 D HA -0.003 4.637 4.640 0.001 0.000 0.208 497 D C 1.616 178.018 176.300 0.171 0.000 0.977 497 D CA 1.045 55.124 54.000 0.130 0.000 0.871 497 D CB -0.005 40.944 40.800 0.250 0.000 0.925 497 D HN 0.636 nan 8.370 nan 0.000 0.485 498 E N -1.123 119.135 120.200 0.096 0.000 2.230 498 E HA -0.018 4.333 4.350 0.001 0.000 0.192 498 E C 1.954 178.571 176.600 0.029 0.000 0.987 498 E CA 0.961 57.416 56.400 0.090 0.000 0.841 498 E CB -0.096 29.649 29.700 0.074 0.000 0.783 498 E HN 0.346 nan 8.360 nan 0.000 0.481 499 T N -2.213 112.333 114.554 -0.014 0.000 3.129 499 T HA 0.160 4.511 4.350 0.001 0.000 0.251 499 T C 0.745 175.408 174.700 -0.062 0.000 1.117 499 T CA -0.245 61.834 62.100 -0.035 0.000 1.034 499 T CB 0.113 68.957 68.868 -0.040 0.000 0.968 499 T HN -0.028 nan 8.240 nan 0.000 0.526 500 V N 2.516 122.371 119.914 -0.099 0.000 2.850 500 V HA 0.471 4.592 4.120 0.001 0.000 0.315 500 V C 0.002 176.029 176.094 -0.112 0.000 1.064 500 V CA -0.674 61.558 62.300 -0.113 0.000 0.979 500 V CB 1.858 33.517 31.823 -0.275 0.000 1.039 500 V HN 0.510 nan 8.190 nan 0.000 0.452 501 D N 1.637 121.988 120.400 -0.081 0.000 2.431 501 D HA 0.151 4.792 4.640 0.001 0.000 0.213 501 D C 0.024 176.183 176.300 -0.235 0.000 1.130 501 D CA -0.009 53.895 54.000 -0.161 0.000 0.834 501 D CB 0.680 41.431 40.800 -0.083 0.000 0.985 501 D HN 0.473 nan 8.370 nan 0.000 0.504 502 T N 0.418 114.886 114.554 -0.143 0.000 2.952 502 T HA 0.408 4.759 4.350 0.001 0.000 0.305 502 T C -0.832 173.964 174.700 0.161 0.000 1.064 502 T CA -0.559 61.445 62.100 -0.161 0.000 1.008 502 T CB 1.659 70.450 68.868 -0.130 0.000 1.078 502 T HN -0.047 nan 8.240 nan 0.000 0.459 503 F N 1.060 120.894 119.950 -0.193 0.000 2.557 503 F HA 0.683 5.210 4.527 0.001 0.000 0.336 503 F C -0.647 174.945 175.800 -0.346 0.000 1.058 503 F CA -1.223 56.751 58.000 -0.043 0.000 0.988 503 F CB 1.636 40.524 39.000 -0.187 0.000 1.275 503 F HN 0.465 nan 8.300 nan 0.000 0.488 504 Y N 0.025 120.421 120.300 0.159 0.000 2.462 504 Y HA 0.321 4.872 4.550 0.001 0.000 0.346 504 Y C 0.140 175.971 175.900 -0.115 0.000 0.976 504 Y CA -0.789 57.251 58.100 -0.100 0.000 1.044 504 Y CB 2.220 40.554 38.460 -0.211 0.000 1.230 504 Y HN 0.511 nan 8.280 nan 0.000 0.455 505 S N 0.594 116.256 115.700 -0.064 0.000 2.758 505 S HA 0.763 5.234 4.470 0.001 0.000 0.292 505 S C -0.840 173.788 174.600 0.048 0.000 1.131 505 S CA -0.643 57.525 58.200 -0.054 0.000 0.997 505 S CB 1.849 64.919 63.200 -0.216 0.000 1.111 505 S HN 0.836 nan 8.310 nan 0.000 0.552 506 C N 1.010 120.360 119.300 0.084 0.000 2.832 506 C HA 0.594 5.055 4.460 0.001 0.000 0.383 506 C C -0.028 175.025 174.990 0.106 0.000 1.046 506 C CA -0.110 58.961 59.018 0.088 0.000 1.242 506 C CB 0.358 28.142 27.740 0.072 0.000 1.693 506 C HN 1.205 nan 8.230 nan 0.000 0.497 507 V N 4.620 124.602 119.914 0.113 0.000 2.988 507 V HA 0.307 4.428 4.120 0.001 0.000 0.356 507 V C 1.103 177.261 176.094 0.107 0.000 1.380 507 V CA 0.244 62.612 62.300 0.114 0.000 1.184 507 V CB -0.035 31.856 31.823 0.113 0.000 1.204 507 V HN 0.781 nan 8.190 nan 0.000 0.530 508 L N 0.861 122.137 121.223 0.088 0.000 2.079 508 L HA -0.069 4.272 4.340 0.001 0.000 0.210 508 L C 2.201 179.102 176.870 0.051 0.000 1.081 508 L CA 2.492 57.365 54.840 0.056 0.000 0.752 508 L CB -0.617 41.453 42.059 0.019 0.000 0.896 508 L HN 0.486 nan 8.230 nan 0.000 0.433 509 C N -0.313 119.035 119.300 0.080 0.000 2.539 509 C HA -0.025 4.436 4.460 0.001 0.000 0.271 509 C C 2.421 177.502 174.990 0.151 0.000 1.412 509 C CA 0.058 59.120 59.018 0.072 0.000 1.729 509 C CB -1.312 26.475 27.740 0.078 0.000 1.739 509 C HN 0.581 nan 8.230 nan 0.000 0.570 510 Q N 1.123 121.017 119.800 0.156 0.000 2.437 510 Q HA -0.126 4.215 4.340 0.001 0.000 0.210 510 Q C 2.228 178.314 176.000 0.143 0.000 0.972 510 Q CA 1.561 57.458 55.803 0.157 0.000 0.903 510 Q CB -0.147 28.663 28.738 0.120 0.000 0.967 510 Q HN 0.894 nan 8.270 nan 0.000 0.486 511 S N -0.554 115.237 115.700 0.152 0.000 2.419 511 S HA -0.096 4.375 4.470 0.001 0.000 0.233 511 S C 1.283 175.901 174.600 0.029 0.000 1.016 511 S CA 0.889 59.172 58.200 0.137 0.000 0.974 511 S CB -0.090 63.219 63.200 0.183 0.000 0.786 511 S HN 0.298 nan 8.310 nan 0.000 0.492 512 F N 1.019 120.960 119.950 -0.016 0.000 2.740 512 F HA 0.583 5.111 4.527 0.002 0.000 0.304 512 F C 1.242 177.195 175.800 0.254 0.000 1.098 512 F CA -0.300 57.753 58.000 0.088 0.000 1.258 512 F CB 0.415 39.374 39.000 -0.068 0.000 1.061 512 F HN 0.256 nan 8.300 nan 0.000 0.598 513 A N 0.263 123.286 122.820 0.338 0.000 2.978 513 A HA 0.506 4.827 4.320 0.001 0.000 0.341 513 A C -1.903 175.825 177.584 0.241 0.000 1.105 513 A CA -1.252 50.967 52.037 0.303 0.000 0.819 513 A CB -0.189 18.980 19.000 0.281 0.000 1.080 513 A HN -0.011 nan 8.150 nan 0.000 0.476 514 P HA -0.253 nan 4.420 nan 0.000 0.222 514 P C 0.911 178.278 177.300 0.112 0.000 1.157 514 P CA 1.827 65.009 63.100 0.136 0.000 0.905 514 P CB 0.211 31.985 31.700 0.124 0.000 0.792 515 N N -3.615 115.159 118.700 0.124 0.000 2.254 515 N HA -0.040 4.701 4.740 0.001 0.000 0.190 515 N C 0.669 176.239 175.510 0.099 0.000 1.107 515 N CA 0.157 53.257 53.050 0.083 0.000 0.869 515 N CB -0.513 38.013 38.487 0.064 0.000 0.983 515 N HN 0.357 nan 8.380 nan 0.000 0.487 516 H N 1.163 120.289 119.070 0.093 0.000 2.790 516 H HA 0.229 4.786 4.556 0.001 0.000 0.358 516 H C -0.889 174.501 175.328 0.103 0.000 1.103 516 H CA 0.436 56.547 56.048 0.105 0.000 1.426 516 H CB 0.996 30.836 29.762 0.129 0.000 1.424 516 H HN -0.286 nan 8.280 nan 0.000 0.599 517 V N 5.153 124.528 119.914 -0.898 0.000 2.711 517 V HA 0.121 4.242 4.120 0.001 0.000 0.304 517 V C -0.299 175.504 176.094 -0.485 0.000 1.097 517 V CA -0.822 61.199 62.300 -0.465 0.000 0.906 517 V CB 1.505 33.269 31.823 -0.098 0.000 1.015 517 V HN 0.846 nan 8.190 nan 0.000 0.427 518 C N 5.614 124.812 119.300 -0.171 0.000 2.370 518 C HA 0.639 5.100 4.460 0.001 0.000 0.354 518 C C -0.082 174.930 174.990 0.037 0.000 1.218 518 C CA -0.610 58.418 59.018 0.017 0.000 2.154 518 C CB 0.886 28.714 27.740 0.146 0.000 2.391 518 C HN 0.615 nan 8.230 nan 0.000 0.540 519 I N 3.746 124.334 120.570 0.031 0.000 2.354 519 I HA 0.287 4.458 4.170 0.001 0.000 0.286 519 I C -0.177 175.927 176.117 -0.021 0.000 1.007 519 I CA -0.158 61.148 61.300 0.010 0.000 1.167 519 I CB 1.091 39.098 38.000 0.011 0.000 1.320 519 I HN 0.301 nan 8.210 nan 0.000 0.458 520 V N 6.373 126.302 119.914 0.025 0.000 2.383 520 V HA 0.474 4.595 4.120 0.001 0.000 0.275 520 V C 0.635 176.786 176.094 0.094 0.000 1.036 520 V CA -0.349 61.989 62.300 0.064 0.000 0.889 520 V CB 1.493 33.394 31.823 0.130 0.000 0.985 520 V HN 0.886 nan 8.190 nan 0.000 0.459 521 T N 2.542 117.057 114.554 -0.066 0.000 2.942 521 T HA 0.508 4.858 4.350 0.001 0.000 0.289 521 T C -2.115 172.561 174.700 -0.041 0.000 1.044 521 T CA -2.235 59.717 62.100 -0.246 0.000 1.023 521 T CB 2.295 70.683 68.868 -0.801 0.000 1.123 521 T HN 0.291 nan 8.240 nan 0.000 0.512 522 P HA -0.093 nan 4.420 nan 0.000 0.217 522 P C 0.754 178.047 177.300 -0.012 0.000 1.151 522 P CA 1.256 64.246 63.100 -0.184 0.000 0.849 522 P CB 0.054 31.497 31.700 -0.428 0.000 0.787 523 E N -1.646 118.551 120.200 -0.004 0.000 2.465 523 E HA 0.122 4.473 4.350 0.001 0.000 0.195 523 E C 0.605 177.325 176.600 0.200 0.000 1.028 523 E CA -0.126 56.331 56.400 0.094 0.000 0.899 523 E CB 0.242 29.991 29.700 0.082 0.000 1.032 523 E HN 0.106 nan 8.360 nan 0.000 0.468 524 R N 1.575 122.140 120.500 0.108 0.000 2.713 524 R HA 0.136 4.477 4.340 0.001 0.000 0.282 524 R C -0.468 175.840 176.300 0.015 0.000 1.472 524 R CA -0.375 55.742 56.100 0.028 0.000 1.060 524 R CB 0.980 31.173 30.300 -0.177 0.000 1.237 524 R HN 0.018 nan 8.270 nan 0.000 0.484 525 V N 1.303 121.268 119.914 0.085 0.000 3.185 525 V HA 0.602 4.723 4.120 0.001 0.000 0.305 525 V C 0.925 177.059 176.094 0.066 0.000 1.090 525 V CA 0.025 62.383 62.300 0.097 0.000 1.107 525 V CB 0.885 32.786 31.823 0.129 0.000 1.061 525 V HN 0.691 nan 8.190 nan 0.000 0.480 526 G N 1.413 110.262 108.800 0.081 0.000 2.491 526 G HA2 0.284 4.245 3.960 0.001 0.000 0.238 526 G HA3 0.284 4.245 3.960 0.001 0.000 0.238 526 G C 0.554 175.519 174.900 0.109 0.000 1.277 526 G CA -0.015 45.139 45.100 0.089 0.000 0.851 526 G HN 1.570 nan 8.290 nan 0.000 0.573 527 L N 0.915 122.220 121.223 0.138 0.000 2.353 527 L HA -0.072 4.269 4.340 0.001 0.000 0.220 527 L C 2.475 179.446 176.870 0.169 0.000 1.133 527 L CA 1.572 56.521 54.840 0.182 0.000 0.798 527 L CB -1.502 40.703 42.059 0.243 0.000 0.922 527 L HN 0.588 nan 8.230 nan 0.000 0.445 528 C N -1.406 117.959 119.300 0.109 0.000 2.481 528 C HA 0.610 5.070 4.460 0.001 0.000 0.275 528 C C 2.159 177.184 174.990 0.059 0.000 1.419 528 C CA -0.318 58.735 59.018 0.058 0.000 1.773 528 C CB -1.178 26.570 27.740 0.013 0.000 1.862 528 C HN 0.897 nan 8.230 nan 0.000 0.530 529 G N 0.409 109.259 108.800 0.084 0.000 2.184 529 G HA2 -0.098 3.863 3.960 0.001 0.000 0.264 529 G HA3 -0.098 3.863 3.960 0.001 0.000 0.264 529 G C 0.842 175.781 174.900 0.066 0.000 0.975 529 G CA 0.444 45.597 45.100 0.088 0.000 0.642 529 G HN 1.538 nan 8.290 nan 0.000 0.536 530 A N -0.840 122.007 122.820 0.044 0.000 2.390 530 A HA 0.705 5.026 4.320 0.001 0.000 0.232 530 A C 0.546 178.145 177.584 0.024 0.000 1.233 530 A CA 1.015 53.068 52.037 0.027 0.000 0.907 530 A CB 0.762 19.765 19.000 0.005 0.000 0.967 530 A HN 1.041 nan 8.150 nan 0.000 0.512 531 V N 1.807 121.744 119.914 0.038 0.000 2.419 531 V HA 0.412 4.532 4.120 0.001 0.000 0.287 531 V C 0.012 176.140 176.094 0.055 0.000 1.017 531 V CA -0.235 62.083 62.300 0.030 0.000 0.844 531 V CB 1.236 33.071 31.823 0.020 0.000 1.011 531 V HN 0.479 nan 8.190 nan 0.000 0.429 532 S N 2.759 118.495 115.700 0.061 0.000 2.745 532 S HA 0.437 4.908 4.470 0.001 0.000 0.292 532 S C 0.518 175.194 174.600 0.127 0.000 1.133 532 S CA -0.524 57.746 58.200 0.117 0.000 0.998 532 S CB 1.461 64.742 63.200 0.135 0.000 1.087 532 S HN 0.700 nan 8.310 nan 0.000 0.551 533 W N 0.835 122.153 121.300 0.030 0.000 2.318 533 W HA -0.123 4.538 4.660 0.001 0.000 0.313 533 W C 1.722 178.223 176.519 -0.030 0.000 1.221 533 W CA 1.593 58.966 57.345 0.047 0.000 1.266 533 W CB -0.615 28.910 29.460 0.109 0.000 1.150 533 W HN 0.664 nan 8.180 nan 0.000 0.496 534 L N -0.037 121.285 121.223 0.165 0.000 2.093 534 L HA -0.223 4.118 4.340 0.001 0.000 0.208 534 L C 2.283 179.064 176.870 -0.149 0.000 1.085 534 L CA 1.561 56.419 54.840 0.029 0.000 0.755 534 L CB -0.904 41.296 42.059 0.235 0.000 0.904 534 L HN -0.056 nan 8.230 nan 0.000 0.435 535 D N 0.304 120.645 120.400 -0.098 0.000 2.097 535 D HA -0.170 4.471 4.640 0.001 0.000 0.195 535 D C 2.222 178.370 176.300 -0.252 0.000 0.989 535 D CA 1.591 55.518 54.000 -0.123 0.000 0.827 535 D CB 0.032 40.807 40.800 -0.041 0.000 0.966 535 D HN 0.322 nan 8.370 nan 0.000 0.456 536 A N 1.353 123.978 122.820 -0.325 0.000 1.877 536 A HA -0.224 4.097 4.320 0.001 0.000 0.216 536 A C 2.109 179.225 177.584 -0.780 0.000 1.186 536 A CA 1.905 53.676 52.037 -0.442 0.000 0.620 536 A CB -0.531 18.238 19.000 -0.386 0.000 0.822 536 A HN 0.171 nan 8.150 nan 0.000 0.443 537 K N -0.274 119.404 120.400 -1.204 0.000 2.032 537 K HA -0.148 4.173 4.320 0.001 0.000 0.209 537 K C 2.173 178.475 176.600 -0.497 0.000 1.048 537 K CA 1.449 57.032 56.287 -1.175 0.000 0.927 537 K CB -0.393 31.523 32.500 -0.973 0.000 0.712 537 K HN 0.353 nan 8.250 nan 0.000 0.441 538 A N 0.649 123.124 122.820 -0.575 0.000 1.883 538 A HA -0.203 4.117 4.320 0.001 0.000 0.217 538 A C 2.218 179.578 177.584 -0.374 0.000 1.186 538 A CA 2.287 53.854 52.037 -0.784 0.000 0.624 538 A CB -1.116 17.343 19.000 -0.901 0.000 0.822 538 A HN 0.514 nan 8.150 nan 0.000 0.444 539 S N -1.885 113.647 115.700 -0.279 0.000 2.374 539 S HA -0.248 4.223 4.470 0.001 0.000 0.227 539 S C 1.919 176.453 174.600 -0.109 0.000 1.037 539 S CA 1.935 60.032 58.200 -0.172 0.000 1.024 539 S CB -0.577 62.538 63.200 -0.142 0.000 0.861 539 S HN 0.674 nan 8.310 nan 0.000 0.456 540 Y N 2.159 122.310 120.300 -0.249 0.000 2.145 540 Y HA -0.022 4.529 4.550 0.001 0.000 0.286 540 Y C 2.307 178.039 175.900 -0.280 0.000 1.145 540 Y CA 2.020 59.994 58.100 -0.211 0.000 1.148 540 Y CB -0.565 37.807 38.460 -0.145 0.000 0.981 540 Y HN 0.248 nan 8.280 nan 0.000 0.507 541 E N 0.362 120.343 120.200 -0.365 0.000 2.153 541 E HA -0.173 4.178 4.350 0.001 0.000 0.194 541 E C 2.389 178.888 176.600 -0.168 0.000 0.988 541 E CA 1.427 57.633 56.400 -0.323 0.000 0.811 541 E CB -0.363 29.320 29.700 -0.029 0.000 0.746 541 E HN 0.603 nan 8.360 nan 0.000 0.466 542 I N 0.482 120.970 120.570 -0.137 0.000 2.315 542 I HA -0.178 3.993 4.170 0.001 0.000 0.248 542 I C 0.770 176.870 176.117 -0.028 0.000 1.117 542 I CA 0.716 61.980 61.300 -0.060 0.000 1.404 542 I CB 0.019 37.975 38.000 -0.074 0.000 1.071 542 I HN -0.024 nan 8.210 nan 0.000 0.419 543 N N -0.637 118.031 118.700 -0.053 0.000 2.629 543 N HA 0.116 4.857 4.740 0.001 0.000 0.277 543 N C 0.196 175.717 175.510 0.018 0.000 1.188 543 N CA -0.325 52.739 53.050 0.023 0.000 0.835 543 N CB 0.438 38.937 38.487 0.020 0.000 1.420 543 N HN -0.030 nan 8.380 nan 0.000 0.542 544 H N 1.814 120.778 119.070 -0.176 0.000 2.457 544 H HA 0.061 4.617 4.556 0.001 0.000 0.297 544 H C 1.189 176.617 175.328 0.166 0.000 1.092 544 H CA 1.881 57.849 56.048 -0.133 0.000 1.309 544 H CB 0.367 30.041 29.762 -0.145 0.000 1.382 544 H HN 0.597 nan 8.280 nan 0.000 0.535 545 A N 0.653 123.600 122.820 0.212 0.000 2.507 545 A HA 0.404 4.725 4.320 0.001 0.000 0.270 545 A C 1.478 179.145 177.584 0.139 0.000 1.318 545 A CA 0.302 52.441 52.037 0.171 0.000 0.924 545 A CB -0.512 18.560 19.000 0.119 0.000 1.061 545 A HN 0.393 nan 8.150 nan 0.000 0.516 546 G N 0.198 109.084 108.800 0.143 0.000 2.508 546 G HA2 0.413 4.373 3.960 0.001 0.000 0.278 546 G HA3 0.413 4.373 3.960 0.001 0.000 0.278 546 G C -0.914 174.055 174.900 0.115 0.000 1.389 546 G CA -0.589 44.574 45.100 0.104 0.000 1.050 546 G HN 0.130 nan 8.290 nan 0.000 0.522 547 P HA 0.001 nan 4.420 nan 0.000 0.242 547 P C -0.352 177.005 177.300 0.095 0.000 1.197 547 P CA 0.493 63.646 63.100 0.089 0.000 0.765 547 P CB 0.146 31.883 31.700 0.062 0.000 0.936 548 N N 0.114 118.873 118.700 0.097 0.000 2.346 548 N HA 0.314 5.055 4.740 0.001 0.000 0.289 548 N C -0.720 174.864 175.510 0.123 0.000 1.027 548 N CA -0.537 52.566 53.050 0.089 0.000 0.864 548 N CB 1.579 40.079 38.487 0.022 0.000 1.370 548 N HN -0.053 nan 8.380 nan 0.000 0.481 549 Q N 1.513 121.326 119.800 0.023 0.000 2.372 549 Q HA 0.468 4.809 4.340 0.001 0.000 0.273 549 Q C -2.720 173.040 176.000 -0.399 0.000 1.078 549 Q CA -2.076 53.621 55.803 -0.176 0.000 0.806 549 Q CB 2.933 31.643 28.738 -0.047 0.000 1.332 549 Q HN 0.370 nan 8.270 nan 0.000 0.435 550 P HA 0.136 nan 4.420 nan 0.000 0.271 550 P C -0.757 176.190 177.300 -0.589 0.000 1.216 550 P CA 0.323 62.898 63.100 -0.874 0.000 0.771 550 P CB 0.757 31.967 31.700 -0.816 0.000 0.864 551 I N 5.280 125.513 120.570 -0.561 0.000 2.420 551 I HA 0.252 4.423 4.170 0.001 0.000 0.282 551 I C -2.344 173.556 176.117 -0.362 0.000 1.019 551 I CA -2.961 58.103 61.300 -0.394 0.000 1.130 551 I CB 2.012 39.795 38.000 -0.361 0.000 1.262 551 I HN 0.033 nan 8.210 nan 0.000 0.454 552 P HA -0.035 nan 4.420 nan 0.000 0.263 552 P C -0.477 176.600 177.300 -0.372 0.000 1.195 552 P CA -0.210 62.726 63.100 -0.273 0.000 0.762 552 P CB 0.407 32.014 31.700 -0.156 0.000 0.799 553 K N 4.403 124.473 120.400 -0.551 0.000 2.083 553 K HA 0.073 4.394 4.320 0.001 0.000 0.246 553 K C -0.263 176.133 176.600 -0.341 0.000 1.160 553 K CA 0.156 55.947 56.287 -0.826 0.000 1.060 553 K CB -0.222 31.595 32.500 -1.138 0.000 1.417 553 K HN 0.447 nan 8.250 nan 0.000 0.329 554 E N 0.752 120.880 120.200 -0.120 0.000 2.433 554 E HA 0.361 4.712 4.350 0.001 0.000 0.273 554 E C -0.145 176.574 176.600 0.199 0.000 0.950 554 E CA -0.972 55.466 56.400 0.064 0.000 0.796 554 E CB 1.634 31.335 29.700 0.001 0.000 1.330 554 E HN 0.459 nan 8.360 nan 0.000 0.455 555 G N 1.656 110.542 108.800 0.143 0.000 2.272 555 G HA2 -0.340 3.621 3.960 0.001 0.000 0.280 555 G HA3 -0.340 3.621 3.960 0.001 0.000 0.280 555 G C -0.010 174.953 174.900 0.105 0.000 1.067 555 G CA 0.875 46.040 45.100 0.108 0.000 0.902 555 G HN 0.564 nan 8.290 nan 0.000 0.500 556 E N -0.746 119.520 120.200 0.110 0.000 2.585 556 E HA 0.233 4.584 4.350 0.001 0.000 0.252 556 E C 1.420 177.905 176.600 -0.192 0.000 0.981 556 E CA -0.026 56.278 56.400 -0.159 0.000 0.943 556 E CB 0.088 29.734 29.700 -0.091 0.000 0.923 556 E HN 0.456 nan 8.360 nan 0.000 0.486 557 I N 2.887 123.279 120.570 -0.297 0.000 3.172 557 I HA 0.091 4.262 4.170 0.001 0.000 0.278 557 I C 0.527 176.515 176.117 -0.214 0.000 1.174 557 I CA 0.128 61.312 61.300 -0.193 0.000 1.445 557 I CB 0.489 38.401 38.000 -0.146 0.000 1.175 557 I HN 0.464 nan 8.210 nan 0.000 0.447 558 D N 0.869 121.067 120.400 -0.335 0.000 2.452 558 D HA 0.138 4.779 4.640 0.001 0.000 0.226 558 D C -2.235 173.852 176.300 -0.354 0.000 1.366 558 D CA -1.362 52.482 54.000 -0.260 0.000 0.986 558 D CB 2.222 42.912 40.800 -0.184 0.000 1.420 558 D HN -0.119 nan 8.370 nan 0.000 0.583 559 P HA -0.012 nan 4.420 nan 0.000 0.229 559 P C 1.491 178.819 177.300 0.047 0.000 1.160 559 P CA 0.138 63.164 63.100 -0.124 0.000 0.777 559 P CB 0.917 32.603 31.700 -0.024 0.000 0.814 560 I N 0.629 121.210 120.570 0.017 0.000 2.385 560 I HA -0.029 4.141 4.170 0.001 0.000 0.244 560 I C 2.156 178.372 176.117 0.165 0.000 1.089 560 I CA 1.236 62.589 61.300 0.089 0.000 1.410 560 I CB -1.194 36.823 38.000 0.029 0.000 1.117 560 I HN 0.001 nan 8.210 nan 0.000 0.429 561 K N 0.703 121.124 120.400 0.036 0.000 2.366 561 K HA 0.137 4.457 4.320 0.001 0.000 0.198 561 K C 0.693 177.229 176.600 -0.107 0.000 1.044 561 K CA 0.631 56.927 56.287 0.015 0.000 0.973 561 K CB 0.024 32.499 32.500 -0.042 0.000 0.767 561 K HN 0.459 nan 8.250 nan 0.000 0.475 562 G N 2.360 110.993 108.800 -0.279 0.000 2.470 562 G HA2 -0.221 3.740 3.960 0.001 0.000 0.286 562 G HA3 -0.221 3.740 3.960 0.001 0.000 0.286 562 G C -0.365 174.214 174.900 -0.534 0.000 1.115 562 G CA -0.352 44.327 45.100 -0.701 0.000 1.122 562 G HN 0.204 nan 8.290 nan 0.000 0.522 563 I N 0.496 120.641 120.570 -0.709 0.000 2.436 563 I HA 0.551 4.722 4.170 0.001 0.000 0.289 563 I C -0.125 175.686 176.117 -0.509 0.000 1.010 563 I CA -0.909 60.176 61.300 -0.359 0.000 1.098 563 I CB 1.540 39.410 38.000 -0.216 0.000 1.266 563 I HN 0.196 nan 8.210 nan 0.000 0.434 564 W N 5.233 126.536 121.300 0.005 0.000 2.839 564 W HA 0.310 4.971 4.660 0.001 0.000 0.334 564 W C 0.832 177.356 176.519 0.009 0.000 1.064 564 W CA -0.852 56.493 57.345 0.002 0.000 1.236 564 W CB 2.278 31.734 29.460 -0.006 0.000 1.405 564 W HN 0.626 nan 8.180 nan 0.000 0.478 565 K N 0.932 121.445 120.400 0.188 0.000 2.057 565 K HA -0.200 4.121 4.320 0.001 0.000 0.207 565 K C 1.893 178.575 176.600 0.136 0.000 1.049 565 K CA 2.431 58.789 56.287 0.119 0.000 0.931 565 K CB 0.016 32.558 32.500 0.070 0.000 0.714 565 K HN 0.394 nan 8.250 nan 0.000 0.440 566 S N -0.129 115.660 115.700 0.148 0.000 2.399 566 S HA -0.113 4.358 4.470 0.001 0.000 0.231 566 S C 1.990 176.676 174.600 0.145 0.000 1.022 566 S CA 1.347 59.612 58.200 0.107 0.000 0.983 566 S CB -0.491 62.731 63.200 0.036 0.000 0.803 566 S HN 0.129 nan 8.310 nan 0.000 0.480 567 V N 3.065 123.093 119.914 0.190 0.000 2.379 567 V HA -0.111 4.010 4.120 0.001 0.000 0.245 567 V C 2.464 178.700 176.094 0.237 0.000 1.044 567 V CA 1.760 64.191 62.300 0.218 0.000 1.036 567 V CB -0.948 31.046 31.823 0.286 0.000 0.664 567 V HN 0.480 nan 8.190 nan 0.000 0.453 568 N N 0.381 119.201 118.700 0.199 0.000 2.142 568 N HA -0.150 4.590 4.740 0.001 0.000 0.186 568 N C 1.566 177.175 175.510 0.165 0.000 1.023 568 N CA 1.558 54.705 53.050 0.161 0.000 0.852 568 N CB -0.462 38.090 38.487 0.108 0.000 0.998 568 N HN 0.441 nan 8.380 nan 0.000 0.424 569 D N 0.033 120.521 120.400 0.147 0.000 2.123 569 D HA -0.167 4.474 4.640 0.001 0.000 0.196 569 D C 1.838 178.240 176.300 0.170 0.000 0.992 569 D CA 0.770 54.852 54.000 0.137 0.000 0.833 569 D CB -0.390 40.473 40.800 0.104 0.000 0.954 569 D HN 0.322 nan 8.370 nan 0.000 0.455 570 Y N 1.428 121.781 120.300 0.089 0.000 2.114 570 Y HA -0.138 4.413 4.550 0.002 0.000 0.284 570 Y C 2.319 178.267 175.900 0.081 0.000 1.143 570 Y CA 1.176 59.318 58.100 0.070 0.000 1.135 570 Y CB -0.499 37.985 38.460 0.040 0.000 0.980 570 Y HN -0.086 nan 8.280 nan 0.000 0.499 571 L N -0.784 120.539 121.223 0.167 0.000 2.043 571 L HA -0.305 4.036 4.340 0.001 0.000 0.212 571 L C 2.350 179.228 176.870 0.014 0.000 1.075 571 L CA 2.028 56.923 54.840 0.092 0.000 0.752 571 L CB -0.686 41.471 42.059 0.163 0.000 0.891 571 L HN 0.416 nan 8.230 nan 0.000 0.432 572 Y N 0.649 120.925 120.300 -0.040 0.000 2.081 572 Y HA -0.331 4.219 4.550 0.001 0.000 0.280 572 Y C 2.612 178.463 175.900 -0.081 0.000 1.163 572 Y CA 2.562 60.638 58.100 -0.040 0.000 1.135 572 Y CB -0.672 37.779 38.460 -0.014 0.000 0.970 572 Y HN 0.137 nan 8.280 nan 0.000 0.498 573 T N 0.418 114.901 114.554 -0.120 0.000 2.737 573 T HA -0.117 4.234 4.350 0.001 0.000 0.265 573 T C 2.113 176.648 174.700 -0.274 0.000 1.038 573 T CA 1.382 63.354 62.100 -0.213 0.000 1.144 573 T CB -0.814 67.981 68.868 -0.122 0.000 0.866 573 T HN 0.464 nan 8.240 nan 0.000 0.434 574 A N 1.910 124.494 122.820 -0.393 0.000 1.978 574 A HA -0.091 4.230 4.320 0.001 0.000 0.220 574 A C 2.367 179.838 177.584 -0.189 0.000 1.170 574 A CA 1.966 53.786 52.037 -0.362 0.000 0.636 574 A CB -0.702 17.926 19.000 -0.620 0.000 0.810 574 A HN 0.584 nan 8.150 nan 0.000 0.448 575 S N -0.779 114.817 115.700 -0.174 0.000 2.671 575 S HA 0.065 4.536 4.470 0.001 0.000 0.220 575 S C 0.374 174.897 174.600 -0.128 0.000 0.951 575 S CA 0.287 58.422 58.200 -0.108 0.000 0.932 575 S CB -0.518 62.639 63.200 -0.071 0.000 0.777 575 S HN 0.534 nan 8.310 nan 0.000 0.508 576 N N 2.298 120.891 118.700 -0.179 0.000 2.758 576 N HA -0.178 4.563 4.740 0.001 0.000 0.248 576 N C -0.151 175.200 175.510 -0.265 0.000 1.076 576 N CA 1.004 53.947 53.050 -0.178 0.000 0.696 576 N CB -1.534 36.901 38.487 -0.087 0.000 0.979 576 N HN 0.733 nan 8.380 nan 0.000 0.550 577 R N -2.106 118.089 120.500 -0.507 0.000 3.875 577 R HA -0.210 4.131 4.340 0.001 0.000 0.321 577 R C 0.529 176.640 176.300 -0.314 0.000 1.196 577 R CA 1.087 56.707 56.100 -0.799 0.000 0.868 577 R CB -1.650 28.297 30.300 -0.589 0.000 1.333 577 R HN 0.416 nan 8.270 nan 0.000 0.522 578 N N 0.171 118.768 118.700 -0.171 0.000 2.392 578 N HA 0.110 4.851 4.740 0.001 0.000 0.177 578 N C 0.220 175.745 175.510 0.025 0.000 1.066 578 N CA 0.750 53.778 53.050 -0.037 0.000 0.895 578 N CB 0.437 38.917 38.487 -0.012 0.000 0.988 578 N HN 0.213 nan 8.380 nan 0.000 0.457 579 L N 0.343 121.587 121.223 0.036 0.000 2.401 579 L HA 0.310 4.651 4.340 0.001 0.000 0.266 579 L C 0.614 177.615 176.870 0.218 0.000 0.991 579 L CA -0.373 54.530 54.840 0.105 0.000 0.818 579 L CB 2.687 44.794 42.059 0.079 0.000 1.321 579 L HN -0.133 nan 8.230 nan 0.000 0.413 580 E N 0.744 121.064 120.200 0.200 0.000 2.372 580 E HA 0.129 4.480 4.350 0.001 0.000 0.201 580 E C -0.096 176.577 176.600 0.121 0.000 0.938 580 E CA 0.128 56.647 56.400 0.198 0.000 0.944 580 E CB 1.475 31.240 29.700 0.108 0.000 0.937 580 E HN 0.475 nan 8.360 nan 0.000 0.495 581 Q N 0.345 120.207 119.800 0.103 0.000 2.482 581 Q HA 0.502 4.843 4.340 0.001 0.000 0.286 581 Q C -2.178 173.872 176.000 0.084 0.000 1.007 581 Q CA -0.621 55.233 55.803 0.086 0.000 0.801 581 Q CB 3.067 31.838 28.738 0.054 0.000 1.455 581 Q HN -0.009 nan 8.270 nan 0.000 0.398 582 V N 1.543 121.508 119.914 0.085 0.000 2.777 582 V HA 0.538 4.659 4.120 0.001 0.000 0.306 582 V C -1.619 174.510 176.094 0.058 0.000 1.112 582 V CA -0.465 61.881 62.300 0.076 0.000 0.917 582 V CB 1.825 33.703 31.823 0.092 0.000 1.018 582 V HN 0.982 nan 8.190 nan 0.000 0.426 583 C N 7.137 126.455 119.300 0.030 0.000 2.239 583 C HA 0.408 4.869 4.460 0.001 0.000 0.325 583 C C 1.704 176.679 174.990 -0.024 0.000 1.231 583 C CA -0.546 58.464 59.018 -0.014 0.000 1.652 583 C CB -0.032 27.702 27.740 -0.009 0.000 2.284 583 C HN 0.926 nan 8.230 nan 0.000 0.499 584 L N 1.942 123.099 121.223 -0.111 0.000 2.362 584 L HA -0.078 4.263 4.340 0.001 0.000 0.219 584 L C 0.926 177.798 176.870 0.003 0.000 1.134 584 L CA 1.620 56.369 54.840 -0.151 0.000 0.807 584 L CB -0.264 41.631 42.059 -0.273 0.000 0.927 584 L HN 0.808 nan 8.230 nan 0.000 0.447 585 Y N -1.186 119.191 120.300 0.129 0.000 2.696 585 Y HA 0.251 4.802 4.550 0.002 0.000 0.260 585 Y C 0.426 176.358 175.900 0.055 0.000 1.165 585 Y CA -0.823 57.348 58.100 0.119 0.000 1.189 585 Y CB 0.601 39.125 38.460 0.106 0.000 1.180 585 Y HN -0.053 nan 8.280 nan 0.000 0.538 586 T N 0.368 115.012 114.554 0.150 0.000 2.906 586 T HA 0.252 4.603 4.350 0.001 0.000 0.295 586 T C -0.004 174.724 174.700 0.046 0.000 1.075 586 T CA -0.571 61.571 62.100 0.071 0.000 1.005 586 T CB 2.555 71.449 68.868 0.043 0.000 1.136 586 T HN 0.061 nan 8.240 nan 0.000 0.498 587 L N 0.727 121.953 121.223 0.005 0.000 2.642 587 L HA 0.366 4.706 4.340 0.001 0.000 0.233 587 L C 1.470 178.332 176.870 -0.013 0.000 1.077 587 L CA 0.798 55.633 54.840 -0.009 0.000 0.879 587 L CB -0.142 41.881 42.059 -0.059 0.000 1.151 587 L HN 0.485 nan 8.230 nan 0.000 0.495 588 M N -0.356 119.236 119.600 -0.013 0.000 2.514 588 M HA 0.251 4.732 4.480 0.001 0.000 0.258 588 M C 0.322 176.629 176.300 0.011 0.000 1.119 588 M CA 0.460 55.754 55.300 -0.009 0.000 1.111 588 M CB -0.679 31.911 32.600 -0.017 0.000 1.390 588 M HN 0.283 nan 8.290 nan 0.000 0.475 589 E N 1.097 121.308 120.200 0.017 0.000 2.263 589 E HA 0.214 4.565 4.350 0.001 0.000 0.268 589 E C -0.634 175.984 176.600 0.030 0.000 0.884 589 E CA -0.302 56.111 56.400 0.021 0.000 0.766 589 E CB 0.861 30.568 29.700 0.011 0.000 1.196 589 E HN 0.136 nan 8.360 nan 0.000 0.416 590 N N 3.241 121.964 118.700 0.038 0.000 2.702 590 N HA -0.129 4.612 4.740 0.001 0.000 0.255 590 N C -2.430 173.113 175.510 0.055 0.000 0.983 590 N CA 0.875 53.954 53.050 0.048 0.000 0.768 590 N CB -1.032 37.480 38.487 0.042 0.000 0.918 590 N HN 0.504 nan 8.380 nan 0.000 0.540 591 P HA -0.044 nan 4.420 nan 0.000 0.270 591 P C 0.706 178.055 177.300 0.081 0.000 1.223 591 P CA -0.279 62.861 63.100 0.067 0.000 0.785 591 P CB 0.762 32.504 31.700 0.069 0.000 0.923 592 M N 1.609 121.260 119.600 0.084 0.000 2.252 592 M HA 0.069 4.550 4.480 0.001 0.000 0.333 592 M C 0.720 177.106 176.300 0.143 0.000 1.111 592 M CA 0.366 55.728 55.300 0.103 0.000 1.140 592 M CB 0.417 33.070 32.600 0.089 0.000 1.538 592 M HN 0.467 nan 8.290 nan 0.000 0.448 593 T N 1.276 115.943 114.554 0.187 0.000 2.824 593 T HA 0.554 4.904 4.350 0.001 0.000 0.277 593 T C -0.201 174.720 174.700 0.368 0.000 0.975 593 T CA -0.938 61.313 62.100 0.252 0.000 0.966 593 T CB 1.186 70.218 68.868 0.273 0.000 1.054 593 T HN 0.673 nan 8.240 nan 0.000 0.533 594 S N -0.933 114.937 115.700 0.283 0.000 2.570 594 S HA 0.489 4.959 4.470 0.001 0.000 0.286 594 S C 1.037 175.562 174.600 -0.125 0.000 1.099 594 S CA -0.671 57.605 58.200 0.126 0.000 0.913 594 S CB 1.294 64.687 63.200 0.323 0.000 1.085 594 S HN 1.093 nan 8.310 nan 0.000 0.480 595 C N 0.001 119.036 119.300 -0.442 0.000 3.082 595 C HA 0.754 5.215 4.460 0.001 0.000 0.281 595 C C 1.678 176.697 174.990 0.047 0.000 1.450 595 C CA 0.764 59.648 59.018 -0.223 0.000 1.688 595 C CB -1.330 26.231 27.740 -0.298 0.000 2.049 595 C HN 1.002 nan 8.230 nan 0.000 0.641 596 G N -0.870 107.874 108.800 -0.093 0.000 4.554 596 G HA2 0.012 3.973 3.960 0.001 0.000 0.210 596 G HA3 0.012 3.973 3.960 0.001 0.000 0.210 596 G C 0.598 175.121 174.900 -0.628 0.000 0.674 596 G CA 0.701 45.614 45.100 -0.313 0.000 0.801 596 G HN 0.981 nan 8.290 nan 0.000 0.555 597 C N 1.137 120.189 119.300 -0.414 0.000 2.754 597 C HA 0.630 5.091 4.460 0.001 0.000 0.276 597 C C 1.253 176.096 174.990 -0.245 0.000 1.264 597 C CA -1.562 57.280 59.018 -0.293 0.000 1.700 597 C CB -2.579 25.053 27.740 -0.179 0.000 1.885 597 C HN 0.421 nan 8.230 nan 0.000 0.607 598 F N 1.615 121.638 119.950 0.122 0.000 2.629 598 F HA 0.224 4.752 4.527 0.001 0.000 0.377 598 F C 1.217 177.117 175.800 0.168 0.000 1.101 598 F CA -0.409 57.674 58.000 0.138 0.000 1.301 598 F CB -0.071 39.020 39.000 0.152 0.000 1.062 598 F HN 0.229 nan 8.300 nan 0.000 0.583 599 E N 1.686 122.079 120.200 0.321 0.000 2.158 599 E HA 0.192 4.543 4.350 0.001 0.000 0.191 599 E C 0.573 177.318 176.600 0.241 0.000 0.982 599 E CA 1.010 57.515 56.400 0.175 0.000 0.823 599 E CB 0.076 29.822 29.700 0.075 0.000 0.766 599 E HN 0.751 nan 8.360 nan 0.000 0.468 600 A N 0.576 123.606 122.820 0.351 0.000 2.569 600 A HA 0.722 5.043 4.320 0.001 0.000 0.290 600 A C -1.297 176.456 177.584 0.282 0.000 1.136 600 A CA -0.674 51.560 52.037 0.329 0.000 0.710 600 A CB 1.436 20.562 19.000 0.210 0.000 1.303 600 A HN 0.058 nan 8.150 nan 0.000 0.413 601 I N 0.475 121.180 120.570 0.225 0.000 2.569 601 I HA 0.362 4.533 4.170 0.001 0.000 0.290 601 I C -0.665 175.527 176.117 0.125 0.000 1.088 601 I CA -0.223 61.112 61.300 0.058 0.000 1.047 601 I CB 2.206 40.148 38.000 -0.097 0.000 1.237 601 I HN 0.608 nan 8.210 nan 0.000 0.421 602 M N 4.721 124.384 119.600 0.105 0.000 2.318 602 M HA 0.751 5.232 4.480 0.001 0.000 0.347 602 M C -0.376 175.930 176.300 0.010 0.000 1.175 602 M CA -0.463 54.901 55.300 0.106 0.000 1.075 602 M CB 2.001 34.672 32.600 0.119 0.000 1.614 602 M HN 0.695 nan 8.290 nan 0.000 0.456 603 A N 3.009 125.796 122.820 -0.055 0.000 2.427 603 A HA 0.695 5.016 4.320 0.001 0.000 0.298 603 A C -0.770 176.623 177.584 -0.317 0.000 1.036 603 A CA -0.871 51.005 52.037 -0.269 0.000 0.701 603 A CB 0.808 19.819 19.000 0.018 0.000 1.250 603 A HN 0.765 nan 8.150 nan 0.000 0.412 604 I N 0.068 120.301 120.570 -0.563 0.000 2.779 604 I HA 0.467 4.638 4.170 0.001 0.000 0.285 604 I C -0.242 175.760 176.117 -0.190 0.000 1.134 604 I CA -0.562 60.553 61.300 -0.309 0.000 1.398 604 I CB -0.247 37.575 38.000 -0.296 0.000 1.404 604 I HN 0.422 nan 8.210 nan 0.000 0.587 605 L N 5.904 127.065 121.223 -0.104 0.000 2.457 605 L HA 0.337 4.678 4.340 0.001 0.000 0.252 605 L C -1.762 175.081 176.870 -0.045 0.000 1.132 605 L CA -1.238 53.564 54.840 -0.063 0.000 0.938 605 L CB 1.263 43.292 42.059 -0.051 0.000 1.246 605 L HN 0.427 nan 8.230 nan 0.000 0.476 606 P HA -0.264 nan 4.420 nan 0.000 0.216 606 P C 1.359 178.651 177.300 -0.014 0.000 1.157 606 P CA 1.325 64.411 63.100 -0.024 0.000 0.880 606 P CB 0.389 32.080 31.700 -0.015 0.000 0.791 607 E N -1.437 118.756 120.200 -0.013 0.000 2.265 607 E HA -0.168 4.182 4.350 0.001 0.000 0.196 607 E C 0.637 177.234 176.600 -0.005 0.000 0.996 607 E CA 0.985 57.380 56.400 -0.007 0.000 0.832 607 E CB -0.320 29.376 29.700 -0.007 0.000 0.756 607 E HN 0.202 nan 8.360 nan 0.000 0.491 608 C N 0.502 119.794 119.300 -0.012 0.000 3.038 608 C HA 0.259 4.720 4.460 0.001 0.000 0.279 608 C C 0.777 175.759 174.990 -0.012 0.000 1.276 608 C CA -0.048 58.961 59.018 -0.015 0.000 1.697 608 C CB -1.370 26.354 27.740 -0.026 0.000 2.032 608 C HN 0.596 nan 8.230 nan 0.000 0.636 609 N N 0.339 119.035 118.700 -0.006 0.000 2.708 609 N HA -0.131 4.610 4.740 0.001 0.000 0.249 609 N C -0.012 175.503 175.510 0.009 0.000 1.097 609 N CA 1.113 54.164 53.050 0.002 0.000 0.710 609 N CB -0.931 37.566 38.487 0.017 0.000 1.032 609 N HN 0.702 nan 8.380 nan 0.000 0.551 610 G N -1.189 107.609 108.800 -0.003 0.000 2.871 610 G HA2 0.700 4.660 3.960 0.001 0.000 0.282 610 G HA3 0.700 4.660 3.960 0.001 0.000 0.282 610 G C -0.779 174.123 174.900 0.003 0.000 1.212 610 G CA -0.310 44.800 45.100 0.017 0.000 0.812 610 G HN 0.656 nan 8.290 nan 0.000 0.547 611 I N -2.086 118.511 120.570 0.046 0.000 2.969 611 I HA 0.838 5.009 4.170 0.001 0.000 0.307 611 I C -0.495 175.688 176.117 0.109 0.000 1.149 611 I CA -1.429 59.894 61.300 0.039 0.000 1.008 611 I CB 2.429 40.455 38.000 0.043 0.000 1.232 611 I HN 0.757 nan 8.210 nan 0.000 0.435 612 M N 3.547 123.208 119.600 0.100 0.000 2.724 612 M HA 0.770 5.250 4.480 0.001 0.000 0.310 612 M C -1.489 174.947 176.300 0.226 0.000 1.217 612 M CA -0.551 54.870 55.300 0.202 0.000 0.894 612 M CB 2.434 35.096 32.600 0.104 0.000 1.719 612 M HN 0.562 nan 8.290 nan 0.000 0.479 613 I N 0.243 121.007 120.570 0.324 0.000 2.619 613 I HA 0.597 4.768 4.170 0.001 0.000 0.292 613 I C -0.772 175.544 176.117 0.332 0.000 1.100 613 I CA -0.546 60.914 61.300 0.267 0.000 1.043 613 I CB 2.574 40.694 38.000 0.199 0.000 1.239 613 I HN 0.889 nan 8.210 nan 0.000 0.420 614 T N 2.773 117.509 114.554 0.304 0.000 2.883 614 T HA 0.715 5.066 4.350 0.001 0.000 0.296 614 T C -0.645 174.235 174.700 0.300 0.000 1.117 614 T CA -0.320 61.989 62.100 0.347 0.000 1.006 614 T CB 1.847 70.980 68.868 0.442 0.000 1.191 614 T HN 0.802 nan 8.240 nan 0.000 0.508 615 T N -0.089 114.583 114.554 0.198 0.000 2.926 615 T HA 0.466 4.817 4.350 0.001 0.000 0.289 615 T C 1.098 175.512 174.700 -0.476 0.000 1.054 615 T CA -0.885 61.210 62.100 -0.009 0.000 1.015 615 T CB 1.622 70.434 68.868 -0.093 0.000 1.167 615 T HN 0.632 nan 8.240 nan 0.000 0.526 616 R N -0.005 119.943 120.500 -0.921 0.000 2.120 616 R HA -0.101 4.240 4.340 0.001 0.000 0.234 616 R C 0.896 176.766 176.300 -0.716 0.000 1.123 616 R CA 1.787 56.953 56.100 -1.557 0.000 0.975 616 R CB -0.339 29.453 30.300 -0.846 0.000 0.866 616 R HN 0.662 nan 8.270 nan 0.000 0.446 617 D N -0.997 119.173 120.400 -0.384 0.000 2.347 617 D HA -0.079 4.562 4.640 0.001 0.000 0.213 617 D C -0.192 176.060 176.300 -0.081 0.000 0.985 617 D CA 0.628 54.507 54.000 -0.201 0.000 0.879 617 D CB -0.015 40.693 40.800 -0.154 0.000 0.919 617 D HN 0.269 nan 8.370 nan 0.000 0.526 618 H N 0.404 119.384 119.070 -0.150 0.000 2.761 618 H HA 0.434 4.990 4.556 0.001 0.000 0.284 618 H C 0.758 176.108 175.328 0.037 0.000 1.105 618 H CA -0.430 55.603 56.048 -0.025 0.000 1.352 618 H CB 1.030 30.816 29.762 0.040 0.000 1.423 618 H HN -0.113 nan 8.280 nan 0.000 0.464 619 A N 3.835 126.489 122.820 -0.278 0.000 2.072 619 A HA 0.181 4.502 4.320 0.001 0.000 0.216 619 A C 1.594 179.056 177.584 -0.202 0.000 1.156 619 A CA 0.503 52.447 52.037 -0.156 0.000 0.701 619 A CB -0.426 18.522 19.000 -0.088 0.000 0.816 619 A HN 0.762 nan 8.150 nan 0.000 0.458 620 G N -0.642 107.861 108.800 -0.495 0.000 2.614 620 G HA2 0.360 4.321 3.960 0.001 0.000 0.239 620 G HA3 0.360 4.321 3.960 0.001 0.000 0.239 620 G C 0.109 175.006 174.900 -0.006 0.000 1.240 620 G CA -0.106 44.855 45.100 -0.231 0.000 0.842 620 G HN 0.325 nan 8.290 nan 0.000 0.584 621 M N 1.212 120.825 119.600 0.021 0.000 2.252 621 M HA 0.370 4.851 4.480 0.001 0.000 0.333 621 M C 0.790 177.064 176.300 -0.045 0.000 1.111 621 M CA -0.153 55.142 55.300 -0.009 0.000 1.140 621 M CB 0.556 33.138 32.600 -0.030 0.000 1.538 621 M HN 0.693 nan 8.290 nan 0.000 0.448 622 T N 2.058 116.499 114.554 -0.189 0.000 2.930 622 T HA 0.672 5.022 4.350 0.001 0.000 0.290 622 T C -2.213 172.183 174.700 -0.508 0.000 1.052 622 T CA -1.610 60.154 62.100 -0.560 0.000 1.017 622 T CB 1.500 70.074 68.868 -0.489 0.000 1.137 622 T HN 0.632 nan 8.240 nan 0.000 0.511 623 P HA -0.083 nan 4.420 nan 0.000 0.229 623 P C 1.319 178.472 177.300 -0.245 0.000 1.150 623 P CA 0.828 63.668 63.100 -0.434 0.000 0.765 623 P CB -0.154 31.245 31.700 -0.502 0.000 0.783 624 S N -1.695 113.875 115.700 -0.216 0.000 2.562 624 S HA 0.233 4.704 4.470 0.001 0.000 0.221 624 S C 1.723 176.283 174.600 -0.066 0.000 0.975 624 S CA 0.627 58.778 58.200 -0.081 0.000 0.918 624 S CB -1.117 62.084 63.200 0.000 0.000 0.772 624 S HN 0.301 nan 8.310 nan 0.000 0.531 625 G N 0.500 109.235 108.800 -0.109 0.000 2.175 625 G HA2 -0.224 3.737 3.960 0.001 0.000 0.244 625 G HA3 -0.224 3.737 3.960 0.001 0.000 0.244 625 G C -0.108 174.740 174.900 -0.088 0.000 0.982 625 G CA 0.334 45.381 45.100 -0.088 0.000 0.641 625 G HN 0.531 nan 8.290 nan 0.000 0.527 626 M N 1.118 120.664 119.600 -0.090 0.000 2.591 626 M HA 0.538 5.019 4.480 0.001 0.000 0.306 626 M C 0.740 177.001 176.300 -0.065 0.000 1.190 626 M CA -0.321 54.925 55.300 -0.089 0.000 0.889 626 M CB 2.222 34.759 32.600 -0.104 0.000 1.728 626 M HN 0.318 nan 8.290 nan 0.000 0.458 627 T N -1.612 112.913 114.554 -0.049 0.000 2.770 627 T HA 0.287 4.638 4.350 0.001 0.000 0.281 627 T C 0.740 175.477 174.700 0.061 0.000 0.981 627 T CA -0.475 61.640 62.100 0.024 0.000 0.955 627 T CB 0.610 69.493 68.868 0.024 0.000 1.060 627 T HN 0.603 nan 8.240 nan 0.000 0.531 628 F N 1.013 120.984 119.950 0.035 0.000 2.095 628 F HA -0.102 4.425 4.527 0.001 0.000 0.298 628 F C 2.613 178.438 175.800 0.041 0.000 1.104 628 F CA 2.156 60.194 58.000 0.064 0.000 1.232 628 F CB -0.918 38.144 39.000 0.102 0.000 0.987 628 F HN 0.566 nan 8.300 nan 0.000 0.475 629 S N -0.185 115.552 115.700 0.062 0.000 2.365 629 S HA -0.226 4.245 4.470 0.001 0.000 0.225 629 S C 1.942 176.410 174.600 -0.220 0.000 1.039 629 S CA 1.973 60.133 58.200 -0.067 0.000 1.033 629 S CB -0.774 62.452 63.200 0.044 0.000 0.887 629 S HN 0.548 nan 8.310 nan 0.000 0.447 630 T N 2.664 117.096 114.554 -0.204 0.000 2.777 630 T HA 0.049 4.400 4.350 0.001 0.000 0.266 630 T C 1.779 176.321 174.700 -0.264 0.000 1.040 630 T CA 0.911 62.858 62.100 -0.256 0.000 1.141 630 T CB -0.398 68.343 68.868 -0.212 0.000 0.868 630 T HN 0.234 nan 8.240 nan 0.000 0.444 631 L N 0.790 121.862 121.223 -0.252 0.000 2.046 631 L HA -0.102 4.238 4.340 0.001 0.000 0.208 631 L C 3.069 179.746 176.870 -0.323 0.000 1.077 631 L CA 1.238 55.921 54.840 -0.262 0.000 0.747 631 L CB -0.697 41.241 42.059 -0.202 0.000 0.896 631 L HN 0.248 nan 8.230 nan 0.000 0.432 632 A N 0.311 122.882 122.820 -0.416 0.000 1.908 632 A HA -0.168 4.153 4.320 0.001 0.000 0.218 632 A C 2.377 179.922 177.584 -0.066 0.000 1.181 632 A CA 1.829 53.730 52.037 -0.228 0.000 0.627 632 A CB -1.292 17.553 19.000 -0.259 0.000 0.818 632 A HN 0.462 nan 8.150 nan 0.000 0.445 633 G N -1.025 107.676 108.800 -0.165 0.000 2.448 633 G HA2 -0.186 3.775 3.960 0.001 0.000 0.219 633 G HA3 -0.186 3.775 3.960 0.001 0.000 0.219 633 G C 1.570 176.391 174.900 -0.131 0.000 1.127 633 G CA 1.129 46.136 45.100 -0.156 0.000 0.766 633 G HN 0.533 nan 8.290 nan 0.000 0.552 634 M N 0.566 120.056 119.600 -0.184 0.000 2.334 634 M HA 0.195 4.676 4.480 0.001 0.000 0.266 634 M C 2.248 178.458 176.300 -0.149 0.000 1.082 634 M CA 1.110 56.292 55.300 -0.196 0.000 1.141 634 M CB 0.019 32.435 32.600 -0.306 0.000 1.380 634 M HN 0.352 nan 8.290 nan 0.000 0.440 635 I N -2.475 118.018 120.570 -0.128 0.000 3.941 635 I HA 0.416 4.587 4.170 0.001 0.000 0.321 635 I C 1.048 177.191 176.117 0.044 0.000 1.284 635 I CA -0.248 61.009 61.300 -0.072 0.000 1.226 635 I CB -0.540 37.368 38.000 -0.153 0.000 1.045 635 I HN 0.083 nan 8.210 nan 0.000 0.420 636 G N 0.461 109.330 108.800 0.116 0.000 2.563 636 G HA2 0.412 4.373 3.960 0.001 0.000 0.283 636 G HA3 0.412 4.373 3.960 0.001 0.000 0.283 636 G C 0.881 175.849 174.900 0.113 0.000 1.309 636 G CA 0.071 45.288 45.100 0.195 0.000 1.022 636 G HN 0.715 nan 8.290 nan 0.000 0.501 637 G N -2.307 106.562 108.800 0.115 0.000 2.176 637 G HA2 0.231 4.192 3.960 0.001 0.000 0.253 637 G HA3 0.231 4.192 3.960 0.001 0.000 0.253 637 G C 1.411 176.391 174.900 0.134 0.000 0.979 637 G CA 0.971 46.135 45.100 0.106 0.000 0.641 637 G HN 2.590 nan 8.290 nan 0.000 0.530 638 G N -1.212 107.688 108.800 0.168 0.000 2.137 638 G HA2 0.148 4.109 3.960 0.001 0.000 0.237 638 G HA3 0.148 4.109 3.960 0.001 0.000 0.237 638 G C 0.491 175.478 174.900 0.144 0.000 1.002 638 G CA 1.340 46.562 45.100 0.203 0.000 0.702 638 G HN 2.478 nan 8.290 nan 0.000 0.515 639 T N -1.614 113.008 114.554 0.114 0.000 2.767 639 T HA 0.654 5.005 4.350 0.001 0.000 0.284 639 T C 0.104 174.855 174.700 0.085 0.000 0.973 639 T CA -0.564 61.585 62.100 0.083 0.000 0.996 639 T CB 1.967 70.867 68.868 0.053 0.000 0.927 639 T HN 0.344 nan 8.240 nan 0.000 0.456 640 Q N 2.354 122.203 119.800 0.082 0.000 2.313 640 Q HA 0.333 4.673 4.340 0.001 0.000 0.266 640 Q C 0.015 176.062 176.000 0.077 0.000 0.989 640 Q CA -0.048 55.805 55.803 0.084 0.000 0.890 640 Q CB 0.739 29.524 28.738 0.079 0.000 1.200 640 Q HN 0.915 nan 8.270 nan 0.000 0.396 641 T N 0.026 114.638 114.554 0.097 0.000 3.141 641 T HA 0.372 4.723 4.350 0.001 0.000 0.377 641 T C -2.692 172.128 174.700 0.201 0.000 1.258 641 T CA -2.263 59.912 62.100 0.125 0.000 1.263 641 T CB 0.878 69.802 68.868 0.094 0.000 1.066 641 T HN 0.201 nan 8.240 nan 0.000 0.546 642 P HA 0.258 nan 4.420 nan 0.000 0.260 642 P C 1.289 178.673 177.300 0.139 0.000 1.172 642 P CA 1.462 64.632 63.100 0.117 0.000 0.760 642 P CB 0.107 31.856 31.700 0.082 0.000 0.773 643 G N 1.643 110.429 108.800 -0.024 0.000 2.194 643 G HA2 -0.213 3.748 3.960 0.001 0.000 0.236 643 G HA3 -0.213 3.748 3.960 0.001 0.000 0.236 643 G C -0.228 174.209 174.900 -0.771 0.000 0.987 643 G CA -0.563 44.324 45.100 -0.354 0.000 0.635 643 G HN 0.417 nan 8.290 nan 0.000 0.520 644 F N -0.228 119.712 119.950 -0.017 0.000 2.574 644 F HA 0.835 5.363 4.527 0.001 0.000 0.313 644 F C 0.057 175.833 175.800 -0.040 0.000 1.130 644 F CA -0.812 57.164 58.000 -0.040 0.000 0.936 644 F CB 2.237 41.197 39.000 -0.068 0.000 1.219 644 F HN 0.152 nan 8.300 nan 0.000 0.445 645 M N 1.762 121.413 119.600 0.085 0.000 2.413 645 M HA 0.711 5.192 4.480 0.001 0.000 0.287 645 M C -1.072 175.214 176.300 -0.024 0.000 1.186 645 M CA -0.385 54.943 55.300 0.046 0.000 0.927 645 M CB 2.316 34.966 32.600 0.084 0.000 1.715 645 M HN 0.730 nan 8.290 nan 0.000 0.478 646 G N 4.438 113.189 108.800 -0.082 0.000 2.356 646 G HA2 0.694 4.655 3.960 0.001 0.000 0.298 646 G HA3 0.694 4.655 3.960 0.001 0.000 0.298 646 G C -0.850 174.137 174.900 0.146 0.000 1.145 646 G CA -0.646 44.373 45.100 -0.134 0.000 0.850 646 G HN 0.961 nan 8.290 nan 0.000 0.487 647 I N -1.067 119.641 120.570 0.230 0.000 3.279 647 I HA 0.836 5.006 4.170 0.001 0.000 0.315 647 I C 0.180 176.465 176.117 0.280 0.000 1.225 647 I CA -1.544 59.918 61.300 0.270 0.000 0.947 647 I CB 1.981 40.214 38.000 0.388 0.000 1.293 647 I HN 0.627 nan 8.210 nan 0.000 0.468 648 G N 1.166 110.119 108.800 0.256 0.000 2.377 648 G HA2 0.403 4.364 3.960 0.001 0.000 0.299 648 G HA3 0.403 4.364 3.960 0.001 0.000 0.299 648 G C 0.258 175.308 174.900 0.249 0.000 1.150 648 G CA -0.708 44.524 45.100 0.221 0.000 0.847 648 G HN 0.798 nan 8.290 nan 0.000 0.501 649 R N 0.680 121.298 120.500 0.198 0.000 2.139 649 R HA -0.115 4.226 4.340 0.001 0.000 0.243 649 R C 2.628 179.068 176.300 0.233 0.000 1.145 649 R CA 1.814 58.037 56.100 0.205 0.000 0.976 649 R CB -0.294 30.114 30.300 0.179 0.000 0.866 649 R HN 0.548 nan 8.270 nan 0.000 0.449 650 T N 0.240 114.941 114.554 0.246 0.000 2.759 650 T HA -0.215 4.136 4.350 0.001 0.000 0.269 650 T C 1.298 176.120 174.700 0.203 0.000 1.042 650 T CA 1.311 63.530 62.100 0.199 0.000 1.140 650 T CB -0.366 68.611 68.868 0.182 0.000 0.864 650 T HN 0.302 nan 8.240 nan 0.000 0.455 651 Y N 1.742 122.116 120.300 0.122 0.000 2.315 651 Y HA -0.098 4.453 4.550 0.002 0.000 0.288 651 Y C 1.871 177.813 175.900 0.070 0.000 1.154 651 Y CA 0.372 58.568 58.100 0.160 0.000 1.229 651 Y CB -0.694 37.916 38.460 0.249 0.000 0.980 651 Y HN 0.268 nan 8.280 nan 0.000 0.540 652 I N -0.261 120.191 120.570 -0.196 0.000 2.335 652 I HA -0.247 3.924 4.170 0.001 0.000 0.251 652 I C 1.731 177.515 176.117 -0.554 0.000 1.129 652 I CA 1.625 62.454 61.300 -0.785 0.000 1.402 652 I CB -0.486 37.293 38.000 -0.369 0.000 1.069 652 I HN 0.209 nan 8.210 nan 0.000 0.424 653 V N -2.763 117.040 119.914 -0.186 0.000 3.342 653 V HA 0.225 4.346 4.120 0.001 0.000 0.322 653 V C 0.677 176.720 176.094 -0.084 0.000 1.370 653 V CA -0.464 61.768 62.300 -0.112 0.000 1.170 653 V CB -0.476 31.334 31.823 -0.023 0.000 1.101 653 V HN 0.231 nan 8.190 nan 0.000 0.442 654 S N 0.447 116.103 115.700 -0.073 0.000 2.586 654 S HA 0.384 4.855 4.470 0.001 0.000 0.274 654 S C 1.033 175.627 174.600 -0.010 0.000 1.281 654 S CA -0.420 57.787 58.200 0.013 0.000 1.035 654 S CB 1.562 64.855 63.200 0.155 0.000 0.962 654 S HN 0.538 nan 8.310 nan 0.000 0.512 655 K N 1.876 122.271 120.400 -0.009 0.000 2.209 655 K HA 0.049 4.370 4.320 0.001 0.000 0.204 655 K C 1.176 177.749 176.600 -0.046 0.000 1.048 655 K CA 0.855 57.120 56.287 -0.036 0.000 0.940 655 K CB 0.051 32.524 32.500 -0.046 0.000 0.729 655 K HN 0.358 nan 8.250 nan 0.000 0.451 656 K N 0.513 120.902 120.400 -0.018 0.000 2.417 656 K HA 0.059 4.380 4.320 0.001 0.000 0.196 656 K C -0.140 176.487 176.600 0.045 0.000 1.023 656 K CA -0.196 56.045 56.287 -0.076 0.000 1.122 656 K CB -0.265 32.182 32.500 -0.089 0.000 0.850 656 K HN 0.121 nan 8.250 nan 0.000 0.521 657 F N 3.438 123.228 119.950 -0.266 0.000 2.474 657 F HA -0.105 4.423 4.527 0.001 0.000 0.375 657 F C 1.210 176.899 175.800 -0.184 0.000 1.090 657 F CA -0.092 57.558 58.000 -0.582 0.000 1.044 657 F CB -0.508 38.194 39.000 -0.497 0.000 1.018 657 F HN 0.217 nan 8.300 nan 0.000 0.560 658 I N 3.083 123.433 120.570 -0.367 0.000 3.906 658 I HA -0.429 3.742 4.170 0.001 0.000 0.126 658 I C 1.287 177.316 176.117 -0.147 0.000 1.081 658 I CA 0.699 61.858 61.300 -0.235 0.000 2.733 658 I CB -2.118 35.591 38.000 -0.484 0.000 1.518 658 I HN 0.621 nan 8.210 nan 0.000 0.341 659 S N 1.696 117.354 115.700 -0.069 0.000 2.402 659 S HA -0.177 4.294 4.470 0.001 0.000 0.233 659 S C 2.001 176.586 174.600 -0.026 0.000 1.030 659 S CA 1.062 59.221 58.200 -0.068 0.000 1.003 659 S CB -0.336 62.783 63.200 -0.135 0.000 0.813 659 S HN 1.009 nan 8.310 nan 0.000 0.477 660 A N 1.464 124.306 122.820 0.035 0.000 2.168 660 A HA 0.006 4.327 4.320 0.001 0.000 0.215 660 A C 1.599 179.185 177.584 0.004 0.000 1.152 660 A CA 1.205 53.267 52.037 0.042 0.000 0.716 660 A CB -0.269 18.787 19.000 0.094 0.000 0.794 660 A HN 0.531 nan 8.150 nan 0.000 0.465 661 D N -2.008 118.377 120.400 -0.024 0.000 2.398 661 D HA 0.283 4.923 4.640 0.001 0.000 0.210 661 D C 1.271 177.550 176.300 -0.036 0.000 1.094 661 D CA 1.060 55.037 54.000 -0.038 0.000 0.839 661 D CB 0.779 41.541 40.800 -0.064 0.000 0.963 661 D HN 0.534 nan 8.370 nan 0.000 0.506 662 G N 0.142 108.920 108.800 -0.037 0.000 2.367 662 G HA2 0.005 3.966 3.960 0.001 0.000 0.181 662 G HA3 0.005 3.966 3.960 0.001 0.000 0.181 662 G C 0.823 175.716 174.900 -0.012 0.000 1.000 662 G CA 0.092 45.180 45.100 -0.020 0.000 0.693 662 G HN 0.700 nan 8.290 nan 0.000 0.480 663 G N 0.257 109.039 108.800 -0.030 0.000 2.642 663 G HA2 -0.058 3.903 3.960 0.001 0.000 0.231 663 G HA3 -0.058 3.903 3.960 0.001 0.000 0.231 663 G C 1.187 176.227 174.900 0.233 0.000 1.338 663 G CA 0.782 45.913 45.100 0.053 0.000 0.883 663 G HN 1.706 nan 8.290 nan 0.000 0.570 664 I N -1.768 119.011 120.570 0.348 0.000 2.657 664 I HA 0.174 4.344 4.170 0.001 0.000 0.261 664 I C 2.534 178.900 176.117 0.415 0.000 1.212 664 I CA 2.199 63.755 61.300 0.427 0.000 1.453 664 I CB -0.640 37.453 38.000 0.156 0.000 1.092 664 I HN 1.003 nan 8.210 nan 0.000 0.452 665 A N 1.537 124.448 122.820 0.151 0.000 2.125 665 A HA -0.071 4.249 4.320 0.001 0.000 0.219 665 A C 2.295 180.104 177.584 0.376 0.000 1.156 665 A CA 0.935 53.014 52.037 0.071 0.000 0.671 665 A CB -0.452 18.480 19.000 -0.112 0.000 0.794 665 A HN 0.397 nan 8.150 nan 0.000 0.459 666 R N -0.331 120.366 120.500 0.327 0.000 2.200 666 R HA 0.163 4.504 4.340 0.001 0.000 0.208 666 R C 0.286 176.780 176.300 0.324 0.000 1.033 666 R CA 0.125 56.391 56.100 0.277 0.000 1.000 666 R CB -0.562 29.825 30.300 0.145 0.000 0.906 666 R HN 0.529 nan 8.270 nan 0.000 0.462 667 I N 2.616 123.458 120.570 0.452 0.000 2.671 667 I HA -0.091 4.079 4.170 0.001 0.000 0.285 667 I C 1.557 177.873 176.117 0.331 0.000 1.148 667 I CA 0.154 61.685 61.300 0.384 0.000 1.386 667 I CB 0.745 38.997 38.000 0.420 0.000 1.406 667 I HN -0.121 nan 8.210 nan 0.000 0.540 668 V N 3.126 123.125 119.914 0.142 0.000 3.528 668 V HA 0.329 4.449 4.120 0.001 0.000 0.294 668 V C -0.220 175.984 176.094 0.183 0.000 1.404 668 V CA -0.348 61.946 62.300 -0.011 0.000 1.065 668 V CB -0.326 31.393 31.823 -0.173 0.000 0.904 668 V HN 0.803 nan 8.190 nan 0.000 0.435 669 W N 0.340 121.629 121.300 -0.019 0.000 3.800 669 W HA 0.753 5.413 4.660 0.001 0.000 0.299 669 W C -1.445 175.037 176.519 -0.063 0.000 1.231 669 W CA -0.563 56.754 57.345 -0.046 0.000 1.232 669 W CB 1.721 31.157 29.460 -0.040 0.000 1.291 669 W HN -0.025 nan 8.180 nan 0.000 0.514 670 M N 5.795 125.032 119.600 -0.604 0.000 2.520 670 M HA 0.352 4.833 4.480 0.001 0.000 0.280 670 M C -2.576 173.045 176.300 -1.131 0.000 1.232 670 M CA -1.802 53.143 55.300 -0.592 0.000 0.892 670 M CB 2.888 35.255 32.600 -0.387 0.000 1.728 670 M HN 0.032 nan 8.290 nan 0.000 0.475 671 P HA 0.124 nan 4.420 nan 0.000 0.275 671 P C -0.192 176.763 177.300 -0.576 0.000 1.228 671 P CA -0.176 62.372 63.100 -0.920 0.000 0.786 671 P CB 0.703 31.884 31.700 -0.864 0.000 0.927 672 K N 2.228 122.349 120.400 -0.465 0.000 2.113 672 K HA -0.188 4.133 4.320 0.001 0.000 0.208 672 K C 1.703 178.173 176.600 -0.216 0.000 1.047 672 K CA 2.262 58.365 56.287 -0.307 0.000 0.928 672 K CB -0.387 31.981 32.500 -0.219 0.000 0.716 672 K HN 0.507 nan 8.250 nan 0.000 0.446 673 S N 0.773 116.364 115.700 -0.180 0.000 2.382 673 S HA -0.170 4.300 4.470 0.001 0.000 0.228 673 S C 1.931 176.483 174.600 -0.079 0.000 1.027 673 S CA 1.056 59.197 58.200 -0.098 0.000 0.991 673 S CB -0.413 62.748 63.200 -0.065 0.000 0.823 673 S HN 0.357 nan 8.310 nan 0.000 0.469 674 L N 1.422 122.557 121.223 -0.147 0.000 2.109 674 L HA 0.180 4.521 4.340 0.001 0.000 0.207 674 L C 2.271 179.092 176.870 -0.081 0.000 1.086 674 L CA 1.557 56.342 54.840 -0.091 0.000 0.760 674 L CB -0.666 41.301 42.059 -0.153 0.000 0.910 674 L HN 0.179 nan 8.230 nan 0.000 0.437 675 K N -0.394 119.886 120.400 -0.200 0.000 2.026 675 K HA -0.164 4.156 4.320 0.001 0.000 0.208 675 K C 1.753 178.295 176.600 -0.097 0.000 1.048 675 K CA 1.675 57.818 56.287 -0.240 0.000 0.929 675 K CB -0.292 32.034 32.500 -0.290 0.000 0.713 675 K HN 0.365 nan 8.250 nan 0.000 0.439 676 D N 0.367 120.726 120.400 -0.069 0.000 2.144 676 D HA -0.169 4.472 4.640 0.001 0.000 0.199 676 D C 1.689 178.036 176.300 0.079 0.000 0.984 676 D CA 0.906 54.896 54.000 -0.016 0.000 0.834 676 D CB -0.235 40.550 40.800 -0.025 0.000 0.955 676 D HN 0.091 nan 8.370 nan 0.000 0.465 677 F N 0.959 120.880 119.950 -0.048 0.000 2.171 677 F HA -0.072 4.456 4.527 0.001 0.000 0.300 677 F C 1.862 177.661 175.800 -0.002 0.000 1.090 677 F CA 1.140 59.126 58.000 -0.024 0.000 1.293 677 F CB 0.041 39.016 39.000 -0.041 0.000 1.013 677 F HN -0.123 nan 8.300 nan 0.000 0.486 678 L N -1.497 119.716 121.223 -0.017 0.000 2.693 678 L HA 0.079 4.419 4.340 0.001 0.000 0.235 678 L C 1.899 178.791 176.870 0.036 0.000 1.127 678 L CA 0.082 54.884 54.840 -0.063 0.000 0.914 678 L CB -0.861 41.227 42.059 0.048 0.000 1.193 678 L HN 0.077 nan 8.230 nan 0.000 0.502 679 H N 2.016 121.055 119.070 -0.052 0.000 2.315 679 H HA -0.321 4.236 4.556 0.001 0.000 0.284 679 H C 1.660 177.012 175.328 0.040 0.000 1.102 679 H CA 2.622 58.666 56.048 -0.007 0.000 1.159 679 H CB -0.130 29.611 29.762 -0.035 0.000 1.382 679 H HN 0.266 nan 8.280 nan 0.000 0.542 680 D N 0.247 120.475 120.400 -0.286 0.000 2.116 680 D HA -0.148 4.493 4.640 0.001 0.000 0.193 680 D C 2.175 178.371 176.300 -0.172 0.000 0.998 680 D CA 1.786 55.596 54.000 -0.316 0.000 0.836 680 D CB -0.339 40.355 40.800 -0.175 0.000 0.951 680 D HN 0.705 nan 8.370 nan 0.000 0.449 681 E N -0.432 119.709 120.200 -0.098 0.000 2.208 681 E HA -0.115 4.236 4.350 0.001 0.000 0.193 681 E C 1.999 178.583 176.600 -0.027 0.000 0.988 681 E CA 0.165 56.525 56.400 -0.066 0.000 0.828 681 E CB -0.191 29.470 29.700 -0.065 0.000 0.763 681 E HN 0.257 nan 8.360 nan 0.000 0.478 682 F N 1.617 121.501 119.950 -0.110 0.000 2.146 682 F HA -0.167 4.361 4.527 0.001 0.000 0.298 682 F C 2.201 177.979 175.800 -0.038 0.000 1.096 682 F CA 0.888 58.850 58.000 -0.062 0.000 1.275 682 F CB -0.057 38.921 39.000 -0.037 0.000 1.008 682 F HN -0.235 nan 8.300 nan 0.000 0.480 683 V N 0.936 120.881 119.914 0.053 0.000 2.343 683 V HA -0.305 3.816 4.120 0.001 0.000 0.247 683 V C 2.455 178.498 176.094 -0.085 0.000 1.051 683 V CA 2.127 64.421 62.300 -0.011 0.000 1.036 683 V CB -0.689 31.078 31.823 -0.093 0.000 0.654 683 V HN 0.273 nan 8.190 nan 0.000 0.451 684 R N -0.116 120.319 120.500 -0.108 0.000 2.081 684 R HA -0.131 4.210 4.340 0.001 0.000 0.235 684 R C 2.563 178.783 176.300 -0.133 0.000 1.131 684 R CA 1.742 57.778 56.100 -0.107 0.000 0.960 684 R CB -0.568 29.674 30.300 -0.096 0.000 0.856 684 R HN 0.432 nan 8.270 nan 0.000 0.436 685 S N 0.478 116.066 115.700 -0.187 0.000 2.402 685 S HA -0.073 4.398 4.470 0.001 0.000 0.229 685 S C 1.998 176.446 174.600 -0.254 0.000 1.021 685 S CA 1.147 59.212 58.200 -0.225 0.000 0.974 685 S CB -0.001 63.024 63.200 -0.292 0.000 0.800 685 S HN 0.277 nan 8.310 nan 0.000 0.484 686 S N 1.214 116.746 115.700 -0.280 0.000 2.368 686 S HA -0.079 4.391 4.470 0.001 0.000 0.225 686 S C 2.014 176.518 174.600 -0.158 0.000 1.030 686 S CA 1.164 59.238 58.200 -0.210 0.000 0.999 686 S CB -0.401 62.784 63.200 -0.026 0.000 0.844 686 S HN 0.346 nan 8.310 nan 0.000 0.459 687 V N 1.948 121.793 119.914 -0.114 0.000 2.307 687 V HA -0.174 3.947 4.120 0.001 0.000 0.245 687 V C 2.248 178.281 176.094 -0.102 0.000 1.045 687 V CA 1.675 63.920 62.300 -0.091 0.000 1.024 687 V CB -0.731 31.050 31.823 -0.069 0.000 0.651 687 V HN 0.489 nan 8.190 nan 0.000 0.449 688 E N -0.175 119.959 120.200 -0.110 0.000 2.267 688 E HA -0.200 4.151 4.350 0.001 0.000 0.197 688 E C 1.853 178.385 176.600 -0.113 0.000 0.998 688 E CA 0.995 57.334 56.400 -0.101 0.000 0.830 688 E CB -0.032 29.608 29.700 -0.100 0.000 0.751 688 E HN 0.566 nan 8.360 nan 0.000 0.491 689 E N -0.635 119.477 120.200 -0.147 0.000 2.474 689 E HA 0.062 4.413 4.350 0.001 0.000 0.195 689 E C 0.877 177.378 176.600 -0.166 0.000 1.039 689 E CA 0.441 56.744 56.400 -0.163 0.000 0.881 689 E CB 0.902 30.473 29.700 -0.216 0.000 0.970 689 E HN 0.309 nan 8.360 nan 0.000 0.486 690 G N 1.897 110.611 108.800 -0.143 0.000 2.246 690 G HA2 -0.275 3.686 3.960 0.001 0.000 0.273 690 G HA3 -0.275 3.686 3.960 0.001 0.000 0.273 690 G C 0.720 175.523 174.900 -0.161 0.000 1.055 690 G CA 0.553 45.578 45.100 -0.126 0.000 0.851 690 G HN 0.338 nan 8.290 nan 0.000 0.500 691 L N -0.322 120.774 121.223 -0.213 0.000 2.590 691 L HA 0.493 4.834 4.340 0.001 0.000 0.227 691 L C 1.528 178.331 176.870 -0.112 0.000 1.099 691 L CA 0.469 55.136 54.840 -0.289 0.000 0.872 691 L CB 0.030 41.691 42.059 -0.664 0.000 1.088 691 L HN 1.192 nan 8.230 nan 0.000 0.479 692 G N 0.774 109.538 108.800 -0.060 0.000 2.675 692 G HA2 -0.180 3.781 3.960 0.001 0.000 0.686 692 G HA3 -0.180 3.781 3.960 0.001 0.000 0.686 692 G C -0.035 174.897 174.900 0.053 0.000 1.215 692 G CA -0.527 44.575 45.100 0.003 0.000 0.777 692 G HN 0.178 nan 8.290 nan 0.000 0.638 693 E N 0.355 120.581 120.200 0.043 0.000 2.268 693 E HA 0.006 4.357 4.350 0.001 0.000 0.195 693 E C 1.994 178.660 176.600 0.109 0.000 0.995 693 E CA 1.455 57.890 56.400 0.058 0.000 0.836 693 E CB 0.074 29.792 29.700 0.031 0.000 0.763 693 E HN 0.694 nan 8.360 nan 0.000 0.491 694 D N -0.169 120.296 120.400 0.109 0.000 2.339 694 D HA -0.094 4.547 4.640 0.001 0.000 0.217 694 D C 1.428 177.818 176.300 0.150 0.000 1.050 694 D CA -0.222 53.845 54.000 0.111 0.000 0.856 694 D CB -0.299 40.544 40.800 0.071 0.000 0.922 694 D HN 0.149 nan 8.370 nan 0.000 0.518 695 F N 2.097 122.070 119.950 0.037 0.000 2.120 695 F HA -0.156 4.371 4.527 0.001 0.000 0.300 695 F C 1.898 177.775 175.800 0.129 0.000 1.095 695 F CA 0.937 58.958 58.000 0.035 0.000 1.249 695 F CB -0.470 38.531 39.000 0.002 0.000 0.995 695 F HN -0.014 nan 8.300 nan 0.000 0.480 696 I N 0.021 120.593 120.570 0.003 0.000 2.657 696 I HA -0.285 3.886 4.170 0.001 0.000 0.261 696 I C 1.294 177.328 176.117 -0.139 0.000 1.212 696 I CA 1.649 62.892 61.300 -0.096 0.000 1.453 696 I CB -0.455 37.616 38.000 0.118 0.000 1.092 696 I HN 0.127 nan 8.210 nan 0.000 0.452 697 D N 0.476 120.845 120.400 -0.050 0.000 2.346 697 D HA -0.051 4.590 4.640 0.001 0.000 0.206 697 D C 1.777 178.107 176.300 0.050 0.000 1.001 697 D CA 0.541 54.544 54.000 0.004 0.000 0.871 697 D CB 0.162 40.981 40.800 0.032 0.000 0.943 697 D HN 0.426 nan 8.370 nan 0.000 0.518 698 K N 0.309 120.696 120.400 -0.020 0.000 2.365 698 K HA 0.128 4.449 4.320 0.001 0.000 0.197 698 K C 0.876 177.604 176.600 0.214 0.000 1.042 698 K CA 0.208 56.517 56.287 0.037 0.000 0.987 698 K CB 0.750 33.260 32.500 0.018 0.000 0.779 698 K HN 0.100 nan 8.250 nan 0.000 0.484 699 I N 2.158 122.749 120.570 0.036 0.000 2.471 699 I HA 0.020 4.191 4.170 0.001 0.000 0.286 699 I C 0.509 176.667 176.117 0.068 0.000 1.079 699 I CA -0.585 60.749 61.300 0.057 0.000 1.398 699 I CB 0.915 38.796 38.000 -0.198 0.000 1.403 699 I HN 0.062 nan 8.210 nan 0.000 0.530 700 A N 5.484 128.363 122.820 0.098 0.000 2.296 700 A HA 0.510 4.831 4.320 0.001 0.000 0.264 700 A C -0.394 176.896 177.584 -0.491 0.000 1.097 700 A CA -0.134 51.827 52.037 -0.127 0.000 0.811 700 A CB 0.430 19.482 19.000 0.086 0.000 1.072 700 A HN 0.863 nan 8.150 nan 0.000 0.495 701 D N -2.723 117.304 120.400 -0.622 0.000 2.768 701 D HA 0.279 4.920 4.640 0.001 0.000 0.327 701 D C 0.399 176.443 176.300 -0.427 0.000 1.302 701 D CA -0.006 53.393 54.000 -1.002 0.000 0.897 701 D CB -0.117 40.250 40.800 -0.722 0.000 1.420 701 D HN 0.467 nan 8.370 nan 0.000 0.494 702 E N -0.658 119.344 120.200 -0.330 0.000 2.147 702 E HA -0.278 4.073 4.350 0.001 0.000 0.199 702 E C 1.612 178.225 176.600 0.021 0.000 1.005 702 E CA 2.105 58.556 56.400 0.086 0.000 0.810 702 E CB -0.863 28.909 29.700 0.120 0.000 0.736 702 E HN 0.622 nan 8.360 nan 0.000 0.460 703 T N -0.307 114.193 114.554 -0.091 0.000 2.962 703 T HA -0.100 4.251 4.350 0.001 0.000 0.270 703 T C 1.983 176.626 174.700 -0.094 0.000 1.088 703 T CA 1.152 63.204 62.100 -0.080 0.000 1.127 703 T CB -0.498 68.306 68.868 -0.107 0.000 0.883 703 T HN 0.505 nan 8.240 nan 0.000 0.493 704 I N -1.912 118.569 120.570 -0.148 0.000 3.790 704 I HA 0.656 4.826 4.170 0.001 0.000 0.305 704 I C 0.792 176.877 176.117 -0.053 0.000 1.253 704 I CA -0.128 61.063 61.300 -0.182 0.000 1.355 704 I CB 0.517 38.207 38.000 -0.516 0.000 1.137 704 I HN 0.328 nan 8.210 nan 0.000 0.435 705 G N 0.128 108.964 108.800 0.060 0.000 2.411 705 G HA2 0.379 4.339 3.960 0.001 0.000 0.295 705 G HA3 0.379 4.339 3.960 0.001 0.000 0.295 705 G C -0.127 174.918 174.900 0.242 0.000 1.542 705 G CA 0.152 45.324 45.100 0.121 0.000 0.814 705 G HN 0.133 nan 8.290 nan 0.000 0.557 706 T N -3.008 111.604 114.554 0.096 0.000 3.043 706 T HA 0.456 4.807 4.350 0.001 0.000 0.272 706 T C 0.916 175.524 174.700 -0.153 0.000 0.990 706 T CA 1.128 63.225 62.100 -0.004 0.000 0.897 706 T CB 0.191 69.080 68.868 0.035 0.000 1.111 706 T HN 1.397 nan 8.240 nan 0.000 0.529 707 T N -1.713 112.782 114.554 -0.098 0.000 2.887 707 T HA 0.625 4.976 4.350 0.001 0.000 0.292 707 T C 1.102 175.752 174.700 -0.083 0.000 1.087 707 T CA -0.440 61.596 62.100 -0.107 0.000 1.009 707 T CB 1.625 70.458 68.868 -0.058 0.000 1.203 707 T HN -0.195 nan 8.240 nan 0.000 0.518 708 V N 0.967 120.837 119.914 -0.073 0.000 2.358 708 V HA -0.091 4.030 4.120 0.001 0.000 0.246 708 V C 2.240 178.332 176.094 -0.003 0.000 1.047 708 V CA 1.953 64.230 62.300 -0.040 0.000 1.035 708 V CB -0.708 31.093 31.823 -0.037 0.000 0.658 708 V HN 0.877 nan 8.190 nan 0.000 0.452 709 D N -0.200 120.198 120.400 -0.004 0.000 2.310 709 D HA -0.121 4.520 4.640 0.001 0.000 0.212 709 D C 2.085 178.401 176.300 0.026 0.000 0.965 709 D CA 0.881 54.888 54.000 0.011 0.000 0.879 709 D CB -0.003 40.800 40.800 0.005 0.000 0.921 709 D HN 0.593 nan 8.370 nan 0.000 0.510 710 E N -0.229 119.986 120.200 0.024 0.000 2.276 710 E HA 0.040 4.391 4.350 0.001 0.000 0.193 710 E C 2.116 178.758 176.600 0.069 0.000 0.983 710 E CA 0.211 56.635 56.400 0.040 0.000 0.861 710 E CB 0.395 30.112 29.700 0.029 0.000 0.817 710 E HN 0.422 nan 8.360 nan 0.000 0.485 711 I N -2.144 118.475 120.570 0.081 0.000 4.035 711 I HA 0.084 4.255 4.170 0.001 0.000 0.321 711 I C 1.977 178.197 176.117 0.172 0.000 1.289 711 I CA -0.102 61.282 61.300 0.140 0.000 1.236 711 I CB 0.197 38.303 38.000 0.175 0.000 1.076 711 I HN -0.048 nan 8.210 nan 0.000 0.418 712 L N 3.455 124.742 121.223 0.106 0.000 1.989 712 L HA 0.026 4.367 4.340 0.001 0.000 0.211 712 L C -0.393 176.541 176.870 0.107 0.000 1.071 712 L CA 2.500 57.394 54.840 0.089 0.000 0.749 712 L CB -1.654 40.435 42.059 0.051 0.000 0.890 712 L HN 0.154 nan 8.230 nan 0.000 0.431 713 P HA -0.264 nan 4.420 nan 0.000 0.218 713 P C 1.481 178.855 177.300 0.123 0.000 1.148 713 P CA 1.681 64.838 63.100 0.095 0.000 0.822 713 P CB -0.335 31.415 31.700 0.085 0.000 0.784 714 Y N 1.156 121.484 120.300 0.047 0.000 2.163 714 Y HA -0.134 4.417 4.550 0.001 0.000 0.288 714 Y C 2.465 178.407 175.900 0.069 0.000 1.136 714 Y CA 1.391 59.523 58.100 0.053 0.000 1.147 714 Y CB -1.087 37.407 38.460 0.056 0.000 0.987 714 Y HN -0.271 nan 8.280 nan 0.000 0.509 715 L N 0.043 121.380 121.223 0.190 0.000 2.042 715 L HA -0.232 4.109 4.340 0.001 0.000 0.210 715 L C 2.346 179.252 176.870 0.061 0.000 1.076 715 L CA 1.883 56.800 54.840 0.129 0.000 0.749 715 L CB -0.613 41.523 42.059 0.128 0.000 0.893 715 L HN 0.292 nan 8.230 nan 0.000 0.432 716 E N -0.149 120.081 120.200 0.049 0.000 2.051 716 E HA -0.269 4.082 4.350 0.001 0.000 0.192 716 E C 2.117 178.713 176.600 -0.006 0.000 0.991 716 E CA 1.243 57.663 56.400 0.033 0.000 0.799 716 E CB -0.091 29.630 29.700 0.035 0.000 0.748 716 E HN 0.439 nan 8.360 nan 0.000 0.449 717 E N 1.012 121.186 120.200 -0.045 0.000 2.058 717 E HA -0.221 4.130 4.350 0.001 0.000 0.194 717 E C 1.456 177.987 176.600 -0.116 0.000 0.997 717 E CA 1.016 57.370 56.400 -0.078 0.000 0.801 717 E CB 0.194 29.834 29.700 -0.100 0.000 0.746 717 E HN -0.024 nan 8.360 nan 0.000 0.450 718 K N -0.327 119.953 120.400 -0.200 0.000 2.525 718 K HA 0.019 4.340 4.320 0.001 0.000 0.192 718 K C 0.837 177.409 176.600 -0.047 0.000 1.029 718 K CA 0.744 56.925 56.287 -0.176 0.000 1.029 718 K CB 0.087 32.400 32.500 -0.312 0.000 0.814 718 K HN 0.336 nan 8.250 nan 0.000 0.503 719 G N 3.026 111.822 108.800 -0.006 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 -0.128 174.825 174.900 0.089 0.000 1.040 719 G CA 0.265 45.388 45.100 0.037 0.000 1.004 719 G HN 0.508 nan 8.290 nan 0.000 0.509 720 H N 1.323 120.428 119.070 0.057 0.000 2.964 720 H HA 0.117 4.674 4.556 0.001 0.000 0.328 720 H C -0.267 175.134 175.328 0.121 0.000 1.030 720 H CA -0.554 55.577 56.048 0.138 0.000 1.445 720 H CB 1.335 31.187 29.762 0.151 0.000 1.449 720 H HN 0.232 nan 8.280 nan 0.000 0.581 721 P HA -0.157 nan 4.420 nan 0.000 0.218 721 P C 1.178 178.612 177.300 0.224 0.000 1.148 721 P CA 1.549 64.710 63.100 0.101 0.000 0.822 721 P CB 0.050 31.700 31.700 -0.083 0.000 0.784 722 A N 0.167 123.285 122.820 0.496 0.000 1.948 722 A HA -0.188 4.133 4.320 0.001 0.000 0.220 722 A C 2.205 179.880 177.584 0.152 0.000 1.177 722 A CA 1.558 53.766 52.037 0.284 0.000 0.636 722 A CB -1.556 17.579 19.000 0.225 0.000 0.815 722 A HN 0.084 nan 8.150 nan 0.000 0.449 723 L N 0.189 121.507 121.223 0.158 0.000 2.081 723 L HA -0.151 4.190 4.340 0.001 0.000 0.212 723 L C 2.524 179.432 176.870 0.064 0.000 1.080 723 L CA 2.455 57.349 54.840 0.089 0.000 0.754 723 L CB -1.029 41.085 42.059 0.092 0.000 0.893 723 L HN 0.666 nan 8.230 nan 0.000 0.433 724 T N -5.435 109.158 114.554 0.066 0.000 3.092 724 T HA 0.292 4.642 4.350 0.001 0.000 0.258 724 T C 0.762 175.480 174.700 0.030 0.000 1.031 724 T CA -0.243 61.881 62.100 0.040 0.000 0.925 724 T CB 0.013 68.900 68.868 0.031 0.000 1.036 724 T HN -0.046 nan 8.240 nan 0.000 0.544 725 M N 2.082 121.705 119.600 0.039 0.000 2.163 725 M HA 0.260 4.740 4.480 0.001 0.000 0.305 725 M C 0.005 176.315 176.300 0.017 0.000 1.166 725 M CA -0.401 54.914 55.300 0.025 0.000 1.132 725 M CB 0.361 32.981 32.600 0.034 0.000 1.413 725 M HN 0.123 nan 8.290 nan 0.000 0.478 726 D N 2.642 123.047 120.400 0.008 0.000 2.423 726 D HA 0.112 4.752 4.640 0.001 0.000 0.238 726 D C -2.110 174.193 176.300 0.006 0.000 1.142 726 D CA -0.499 53.504 54.000 0.005 0.000 0.884 726 D CB -0.028 40.771 40.800 -0.000 0.000 1.199 726 D HN 0.284 nan 8.370 nan 0.000 0.438 727 P HA -0.058 nan 4.420 nan 0.000 0.262 727 P C 0.720 178.019 177.300 -0.002 0.000 1.182 727 P CA -0.198 62.903 63.100 0.002 0.000 0.761 727 P CB 0.815 32.516 31.700 0.001 0.000 0.795 728 I N 4.140 124.707 120.570 -0.005 0.000 2.716 728 I HA -0.029 4.142 4.170 0.001 0.000 0.259 728 I C 1.211 177.317 176.117 -0.018 0.000 1.172 728 I CA 0.543 61.835 61.300 -0.014 0.000 1.478 728 I CB -0.485 37.503 38.000 -0.020 0.000 1.104 728 I HN 0.464 nan 8.210 nan 0.000 0.439 729 M N 0.000 119.591 119.600 -0.014 0.000 2.572 729 M HA 0.000 4.481 4.480 0.001 0.000 0.227 729 M CA 0.000 55.293 55.300 -0.012 0.000 0.988 729 M CB 0.000 32.596 32.600 -0.007 0.000 1.302 729 M HN 0.000 nan 8.290 nan 0.000 0.411