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 2z8y_1_N DATA FIRST_RESID 2 DATA SEQUENCE TDFDKIFEGA IPEGKEPVAL FREVYHGAIT ATSYAEILLN QAIRTYGPDH DATA SEQUENCE PVGYPDTAYY LPVIRCFSGE EVKKLGDLPP ILNRKRAQVS PVLNFENARL DATA SEQUENCE AGEATWYAAE IIEALRYLKY KPDEPLLPPP WTGFIGDPVV RRFGIKMVDW DATA SEQUENCE TIPGEAIILG RAKDSKALAK IVKELMGMGF MLFICDEAVE QLLEENVKLG DATA SEQUENCE IDYIAYPLGN FTQIVHAANY ALRAGMMFGG VTPGAREEQR DYQRRRIRAF DATA SEQUENCE VLYLGEHDMV KTAAAFGAIF TGFPVITDQP LPEDKQIPDW FFSVEDYDKI DATA SEQUENCE VQIAMETRGI KLTKIKLDLP INFGPAFEGE SIRKGDMYVE MGGNRTPAFE DATA SEQUENCE LVRTVSESEI TDGKIEVIGP DIDQIPEGSK LPLGILVDIY GRKMQADFEG DATA SEQUENCE VLERRIHDFI NYGEGLWHTG QRNINWLRVS KDAVAKGFRF KNYGEILVAK DATA SEQUENCE MKEEFPAIVD RVQVTIFTDE AKVKEYMEVA REKYKERDDR MRGLTDETVD DATA SEQUENCE TFYSCVLCQS FAPNHVCIVT PERVGLCGAV SWLDAKASYE INHAGPNQPI DATA SEQUENCE PKEGEIDPIK GIWKSVNDYL YTASNRNLEQ VCLYTLMENP MTSCGCFEAI DATA SEQUENCE MAILPECNGI MITTRDHAGM TPSGMTFSTL AGMIGGGTQT PGFMGIGRTY DATA SEQUENCE IVSKKFISAD GGIARIVWMP KSLKDFLHDE FVRRSVEEGL GEDFIDKIAD DATA SEQUENCE ETIGTTVDEI LPYLEEKGHP ALTMDPIM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.711 174.700 0.018 0.000 1.109 2 T CA 0.000 62.104 62.100 0.007 0.000 1.349 2 T CB 0.000 68.877 68.868 0.015 0.000 0.612 3 D N -0.785 119.634 120.400 0.032 0.000 2.240 3 D HA 0.038 4.679 4.640 0.001 0.000 0.206 3 D C 1.438 177.752 176.300 0.024 0.000 0.963 3 D CA 0.437 54.450 54.000 0.021 0.000 0.863 3 D CB 0.070 40.888 40.800 0.030 0.000 0.973 3 D HN 0.446 nan 8.370 nan 0.000 0.501 4 F N 1.879 121.776 119.950 -0.089 0.000 2.234 4 F HA -0.112 4.416 4.527 0.001 0.000 0.299 4 F C 1.713 177.413 175.800 -0.167 0.000 1.087 4 F CA 1.095 59.017 58.000 -0.129 0.000 1.340 4 F CB -0.020 38.890 39.000 -0.149 0.000 1.031 4 F HN -0.180 nan 8.300 nan 0.000 0.500 5 D N 0.644 121.036 120.400 -0.014 0.000 2.309 5 D HA -0.199 4.442 4.640 0.001 0.000 0.212 5 D C 2.019 178.237 176.300 -0.136 0.000 0.968 5 D CA 0.776 54.782 54.000 0.009 0.000 0.882 5 D CB -0.218 40.624 40.800 0.070 0.000 0.918 5 D HN 0.343 nan 8.370 nan 0.000 0.503 6 K N 1.142 121.431 120.400 -0.185 0.000 2.173 6 K HA -0.177 4.144 4.320 0.001 0.000 0.207 6 K C 2.136 178.579 176.600 -0.261 0.000 1.046 6 K CA 0.979 57.164 56.287 -0.170 0.000 0.929 6 K CB -0.248 32.175 32.500 -0.128 0.000 0.720 6 K HN 0.314 nan 8.250 nan 0.000 0.453 7 I N -2.479 117.766 120.570 -0.542 0.000 2.916 7 I HA -0.118 4.053 4.170 0.001 0.000 0.267 7 I C 0.782 176.661 176.117 -0.396 0.000 1.263 7 I CA 0.937 61.931 61.300 -0.510 0.000 1.471 7 I CB -0.287 37.298 38.000 -0.692 0.000 1.089 7 I HN -0.057 nan 8.210 nan 0.000 0.468 8 F N 1.305 121.183 119.950 -0.120 0.000 2.746 8 F HA 0.313 4.841 4.527 0.001 0.000 0.297 8 F C 1.240 177.100 175.800 0.101 0.000 1.113 8 F CA -0.523 57.427 58.000 -0.084 0.000 1.367 8 F CB -0.318 38.403 39.000 -0.466 0.000 1.111 8 F HN 0.025 nan 8.300 nan 0.000 0.590 9 E N 0.159 120.459 120.200 0.168 0.000 2.384 9 E HA 0.314 4.665 4.350 0.001 0.000 0.266 9 E C 1.156 177.857 176.600 0.168 0.000 1.012 9 E CA 0.595 57.084 56.400 0.149 0.000 0.901 9 E CB 0.371 30.111 29.700 0.067 0.000 0.967 9 E HN 0.385 nan 8.360 nan 0.000 0.435 10 G N 2.657 111.557 108.800 0.167 0.000 2.179 10 G HA2 -0.369 3.592 3.960 0.001 0.000 0.257 10 G HA3 -0.369 3.592 3.960 0.001 0.000 0.257 10 G C 0.831 175.841 174.900 0.184 0.000 1.010 10 G CA 0.512 45.698 45.100 0.143 0.000 0.736 10 G HN 0.643 nan 8.290 nan 0.000 0.513 11 A N -0.806 122.189 122.820 0.292 0.000 1.929 11 A HA 0.494 4.815 4.320 0.001 0.000 0.216 11 A C 1.250 178.967 177.584 0.221 0.000 1.176 11 A CA 1.199 53.439 52.037 0.338 0.000 0.628 11 A CB 0.079 19.445 19.000 0.610 0.000 0.816 11 A HN 0.800 nan 8.150 nan 0.000 0.444 12 I N 1.441 122.136 120.570 0.207 0.000 2.321 12 I HA 0.278 4.449 4.170 0.001 0.000 0.291 12 I C -2.461 173.719 176.117 0.105 0.000 0.998 12 I CA -2.106 59.272 61.300 0.131 0.000 1.227 12 I CB 1.499 39.581 38.000 0.138 0.000 1.368 12 I HN 0.064 nan 8.210 nan 0.000 0.466 13 P HA 0.120 nan 4.420 nan 0.000 0.274 13 P C -0.483 176.844 177.300 0.045 0.000 1.231 13 P CA -0.572 62.558 63.100 0.050 0.000 0.790 13 P CB 0.491 32.209 31.700 0.030 0.000 0.951 14 E N 1.527 121.751 120.200 0.040 0.000 3.311 14 E HA 0.054 4.405 4.350 0.001 0.000 0.264 14 E C 1.230 177.846 176.600 0.026 0.000 0.875 14 E CA 1.794 58.214 56.400 0.033 0.000 0.969 14 E CB -0.853 28.861 29.700 0.025 0.000 0.910 14 E HN 0.737 nan 8.360 nan 0.000 0.548 15 G N 4.396 113.213 108.800 0.028 0.000 2.283 15 G HA2 -0.358 3.603 3.960 0.001 0.000 0.280 15 G HA3 -0.358 3.603 3.960 0.001 0.000 0.280 15 G C 0.330 175.234 174.900 0.007 0.000 1.029 15 G CA 0.774 45.885 45.100 0.018 0.000 0.840 15 G HN 0.538 nan 8.290 nan 0.000 0.505 16 K N -0.067 120.338 120.400 0.008 0.000 2.972 16 K HA 0.110 4.431 4.320 0.001 0.000 0.209 16 K C 0.093 176.674 176.600 -0.032 0.000 1.128 16 K CA -0.540 55.741 56.287 -0.010 0.000 1.024 16 K CB 0.686 33.185 32.500 -0.002 0.000 0.754 16 K HN 0.333 nan 8.250 nan 0.000 0.454 17 E N 2.893 123.077 120.200 -0.028 0.000 2.493 17 E HA -0.018 4.333 4.350 0.001 0.000 0.255 17 E C -2.092 174.378 176.600 -0.216 0.000 0.999 17 E CA -1.158 55.203 56.400 -0.065 0.000 0.934 17 E CB 0.479 30.195 29.700 0.026 0.000 0.940 17 E HN 0.134 nan 8.360 nan 0.000 0.473 18 P HA 0.034 nan 4.420 nan 0.000 0.226 18 P C 0.969 177.826 177.300 -0.738 0.000 1.783 18 P CA 0.019 62.802 63.100 -0.528 0.000 0.980 18 P CB 0.034 31.400 31.700 -0.557 0.000 1.967 19 V N 1.931 121.596 119.914 -0.416 0.000 2.324 19 V HA -0.323 3.798 4.120 0.001 0.000 0.250 19 V C 2.694 178.662 176.094 -0.210 0.000 1.060 19 V CA 2.623 64.772 62.300 -0.251 0.000 1.042 19 V CB -1.363 30.409 31.823 -0.085 0.000 0.650 19 V HN 0.327 nan 8.190 nan 0.000 0.450 20 A N -0.490 122.221 122.820 -0.181 0.000 1.948 20 A HA -0.235 4.086 4.320 0.001 0.000 0.220 20 A C 2.161 179.656 177.584 -0.149 0.000 1.177 20 A CA 2.275 54.237 52.037 -0.124 0.000 0.636 20 A CB -0.537 18.416 19.000 -0.078 0.000 0.815 20 A HN 0.472 nan 8.150 nan 0.000 0.449 21 L N -1.681 119.390 121.223 -0.253 0.000 2.072 21 L HA 0.033 4.374 4.340 0.001 0.000 0.205 21 L C 2.022 178.759 176.870 -0.222 0.000 1.079 21 L CA 1.677 56.364 54.840 -0.256 0.000 0.752 21 L CB -0.710 41.147 42.059 -0.336 0.000 0.906 21 L HN 0.325 nan 8.230 nan 0.000 0.436 22 F N 0.021 119.821 119.950 -0.250 0.000 2.234 22 F HA -0.072 4.456 4.527 0.001 0.000 0.299 22 F C 2.770 178.429 175.800 -0.234 0.000 1.087 22 F CA 1.274 59.103 58.000 -0.285 0.000 1.340 22 F CB -1.037 37.848 39.000 -0.192 0.000 1.031 22 F HN 0.158 nan 8.300 nan 0.000 0.500 23 R N 0.739 121.224 120.500 -0.025 0.000 2.073 23 R HA -0.156 4.185 4.340 0.001 0.000 0.229 23 R C 2.222 178.368 176.300 -0.257 0.000 1.120 23 R CA 1.548 57.564 56.100 -0.140 0.000 0.967 23 R CB -0.325 29.867 30.300 -0.180 0.000 0.862 23 R HN 0.391 nan 8.270 nan 0.000 0.436 24 E N -0.051 120.054 120.200 -0.157 0.000 2.150 24 E HA -0.124 4.227 4.350 0.001 0.000 0.193 24 E C 1.706 178.276 176.600 -0.050 0.000 0.985 24 E CA 1.156 57.511 56.400 -0.075 0.000 0.814 24 E CB 0.140 29.838 29.700 -0.002 0.000 0.752 24 E HN 0.220 nan 8.360 nan 0.000 0.466 25 V N 0.911 120.741 119.914 -0.141 0.000 2.343 25 V HA -0.263 3.858 4.120 0.001 0.000 0.247 25 V C 2.212 178.293 176.094 -0.022 0.000 1.051 25 V CA 2.032 64.227 62.300 -0.176 0.000 1.036 25 V CB -0.863 30.663 31.823 -0.495 0.000 0.654 25 V HN 0.436 nan 8.190 nan 0.000 0.451 26 Y N 1.098 121.317 120.300 -0.135 0.000 2.097 26 Y HA -0.301 4.250 4.550 0.002 0.000 0.282 26 Y C 2.550 178.491 175.900 0.068 0.000 1.152 26 Y CA 2.091 60.154 58.100 -0.063 0.000 1.136 26 Y CB -0.877 37.524 38.460 -0.097 0.000 0.975 26 Y HN 0.433 nan 8.280 nan 0.000 0.498 27 H N -1.534 117.453 119.070 -0.137 0.000 2.326 27 H HA -0.076 4.481 4.556 0.001 0.000 0.301 27 H C 2.335 177.592 175.328 -0.119 0.000 1.081 27 H CA 0.452 56.364 56.048 -0.227 0.000 1.334 27 H CB -0.461 29.250 29.762 -0.085 0.000 1.385 27 H HN 0.504 nan 8.280 nan 0.000 0.504 28 G N 0.254 109.113 108.800 0.100 0.000 2.462 28 G HA2 -0.236 3.725 3.960 0.001 0.000 0.220 28 G HA3 -0.236 3.725 3.960 0.001 0.000 0.220 28 G C 1.759 176.700 174.900 0.069 0.000 1.121 28 G CA 0.747 45.901 45.100 0.090 0.000 0.758 28 G HN 0.468 nan 8.290 nan 0.000 0.559 29 A N 0.203 123.043 122.820 0.032 0.000 1.984 29 A HA 0.317 4.638 4.320 0.001 0.000 0.214 29 A C 2.291 179.882 177.584 0.011 0.000 1.173 29 A CA 0.443 52.500 52.037 0.032 0.000 0.673 29 A CB -0.132 18.881 19.000 0.022 0.000 0.830 29 A HN 0.329 nan 8.150 nan 0.000 0.453 30 I N -0.241 120.295 120.570 -0.056 0.000 2.226 30 I HA -0.218 3.952 4.170 0.001 0.000 0.245 30 I C 2.518 178.629 176.117 -0.009 0.000 1.100 30 I CA 1.727 62.983 61.300 -0.074 0.000 1.374 30 I CB -0.318 37.560 38.000 -0.202 0.000 1.057 30 I HN 0.242 nan 8.210 nan 0.000 0.413 31 T N 0.528 115.087 114.554 0.008 0.000 2.777 31 T HA -0.104 4.247 4.350 0.001 0.000 0.266 31 T C 2.012 176.793 174.700 0.135 0.000 1.040 31 T CA 1.391 63.523 62.100 0.052 0.000 1.141 31 T CB -0.250 68.643 68.868 0.042 0.000 0.868 31 T HN 0.454 nan 8.240 nan 0.000 0.444 32 A N 1.834 124.737 122.820 0.138 0.000 1.873 32 A HA -0.101 4.220 4.320 0.001 0.000 0.215 32 A C 2.626 180.308 177.584 0.163 0.000 1.186 32 A CA 2.170 54.319 52.037 0.188 0.000 0.616 32 A CB -1.228 17.862 19.000 0.150 0.000 0.823 32 A HN 0.612 nan 8.150 nan 0.000 0.442 33 T N -3.147 111.471 114.554 0.107 0.000 2.951 33 T HA -0.041 4.310 4.350 0.001 0.000 0.268 33 T C 1.965 176.715 174.700 0.084 0.000 1.073 33 T CA 1.634 63.784 62.100 0.083 0.000 1.134 33 T CB -0.334 68.565 68.868 0.052 0.000 0.884 33 T HN 0.241 nan 8.240 nan 0.000 0.479 34 S N 0.510 116.268 115.700 0.097 0.000 2.357 34 S HA 0.025 4.496 4.470 0.001 0.000 0.221 34 S C 1.545 176.243 174.600 0.164 0.000 1.031 34 S CA 0.719 58.977 58.200 0.098 0.000 0.982 34 S CB -0.649 62.593 63.200 0.070 0.000 0.853 34 S HN 0.541 nan 8.310 nan 0.000 0.458 35 Y N 2.909 123.236 120.300 0.045 0.000 1.993 35 Y HA -0.311 4.240 4.550 0.001 0.000 0.267 35 Y C 2.582 178.517 175.900 0.057 0.000 1.155 35 Y CA 1.142 59.280 58.100 0.064 0.000 1.105 35 Y CB -1.363 37.157 38.460 0.100 0.000 0.960 35 Y HN 0.203 nan 8.280 nan 0.000 0.486 36 A N 0.284 123.093 122.820 -0.020 0.000 1.929 36 A HA -0.339 3.981 4.320 0.001 0.000 0.221 36 A C 2.313 179.866 177.584 -0.052 0.000 1.211 36 A CA 2.376 54.353 52.037 -0.101 0.000 0.657 36 A CB -1.081 17.909 19.000 -0.015 0.000 0.827 36 A HN 0.652 nan 8.150 nan 0.000 0.462 37 E N -0.076 120.131 120.200 0.012 0.000 2.077 37 E HA -0.174 4.177 4.350 0.001 0.000 0.193 37 E C 1.974 178.582 176.600 0.014 0.000 0.989 37 E CA 1.541 57.952 56.400 0.018 0.000 0.800 37 E CB -0.247 29.474 29.700 0.034 0.000 0.746 37 E HN 0.705 nan 8.360 nan 0.000 0.452 38 I N 0.683 121.273 120.570 0.032 0.000 2.233 38 I HA -0.251 3.920 4.170 0.001 0.000 0.243 38 I C 2.583 178.705 176.117 0.009 0.000 1.093 38 I CA 0.523 61.849 61.300 0.044 0.000 1.380 38 I CB -0.202 37.863 38.000 0.109 0.000 1.067 38 I HN 0.106 nan 8.210 nan 0.000 0.413 39 L N 0.099 121.289 121.223 -0.055 0.000 2.042 39 L HA -0.239 4.102 4.340 0.001 0.000 0.210 39 L C 2.644 179.490 176.870 -0.041 0.000 1.076 39 L CA 1.240 56.030 54.840 -0.082 0.000 0.749 39 L CB -0.689 41.235 42.059 -0.226 0.000 0.893 39 L HN 0.324 nan 8.230 nan 0.000 0.432 40 L N 0.180 121.376 121.223 -0.044 0.000 2.027 40 L HA -0.149 4.192 4.340 0.001 0.000 0.206 40 L C 2.209 179.082 176.870 0.005 0.000 1.074 40 L CA 1.808 56.636 54.840 -0.021 0.000 0.745 40 L CB -0.726 41.320 42.059 -0.022 0.000 0.898 40 L HN 0.199 nan 8.230 nan 0.000 0.433 41 N N -0.479 118.225 118.700 0.007 0.000 2.270 41 N HA -0.184 4.557 4.740 0.001 0.000 0.181 41 N C 1.803 177.323 175.510 0.017 0.000 1.016 41 N CA 1.169 54.227 53.050 0.014 0.000 0.870 41 N CB -0.212 38.283 38.487 0.013 0.000 0.979 41 N HN 0.495 nan 8.380 nan 0.000 0.431 42 Q N 1.197 121.005 119.800 0.015 0.000 2.084 42 Q HA 0.058 4.399 4.340 0.001 0.000 0.202 42 Q C 1.837 177.851 176.000 0.023 0.000 0.978 42 Q CA 1.775 57.584 55.803 0.010 0.000 0.844 42 Q CB -0.443 28.301 28.738 0.010 0.000 0.898 42 Q HN 0.301 nan 8.270 nan 0.000 0.426 43 A N 0.230 123.090 122.820 0.066 0.000 1.933 43 A HA -0.135 4.186 4.320 0.001 0.000 0.218 43 A C 2.132 179.837 177.584 0.202 0.000 1.175 43 A CA 1.498 53.647 52.037 0.187 0.000 0.628 43 A CB -0.750 18.350 19.000 0.167 0.000 0.814 43 A HN 0.500 nan 8.150 nan 0.000 0.444 44 I N -1.020 119.609 120.570 0.098 0.000 2.226 44 I HA -0.266 3.905 4.170 0.001 0.000 0.245 44 I C 2.743 178.890 176.117 0.050 0.000 1.100 44 I CA 1.377 62.725 61.300 0.079 0.000 1.374 44 I CB -0.315 37.712 38.000 0.044 0.000 1.057 44 I HN 0.280 nan 8.210 nan 0.000 0.413 45 R N -0.041 120.468 120.500 0.015 0.000 2.092 45 R HA -0.093 4.248 4.340 0.001 0.000 0.231 45 R C 2.243 178.507 176.300 -0.060 0.000 1.119 45 R CA 1.765 57.855 56.100 -0.016 0.000 0.970 45 R CB -0.409 29.876 30.300 -0.024 0.000 0.864 45 R HN 0.325 nan 8.270 nan 0.000 0.440 46 T N -0.733 113.751 114.554 -0.117 0.000 2.942 46 T HA -0.049 4.302 4.350 0.001 0.000 0.265 46 T C 0.763 175.226 174.700 -0.395 0.000 1.062 46 T CA 1.128 63.029 62.100 -0.330 0.000 1.139 46 T CB 0.023 68.568 68.868 -0.538 0.000 0.883 46 T HN 0.324 nan 8.240 nan 0.000 0.468 47 Y N 0.099 120.330 120.300 -0.115 0.000 2.448 47 Y HA 0.484 5.035 4.550 0.001 0.000 0.257 47 Y C 1.213 177.090 175.900 -0.039 0.000 1.089 47 Y CA -0.334 57.675 58.100 -0.153 0.000 1.245 47 Y CB 0.726 38.934 38.460 -0.419 0.000 1.282 47 Y HN 0.267 nan 8.280 nan 0.000 0.529 48 G N 1.877 110.762 108.800 0.141 0.000 2.721 48 G HA2 -0.160 3.801 3.960 0.001 0.000 0.686 48 G HA3 -0.160 3.801 3.960 0.001 0.000 0.686 48 G C -2.159 172.808 174.900 0.112 0.000 1.236 48 G CA -0.524 44.640 45.100 0.106 0.000 0.786 48 G HN -0.003 nan 8.290 nan 0.000 0.616 49 P HA 0.045 nan 4.420 nan 0.000 0.226 49 P C 0.635 177.962 177.300 0.044 0.000 1.153 49 P CA 1.246 64.375 63.100 0.048 0.000 0.777 49 P CB 0.232 31.948 31.700 0.028 0.000 0.794 50 D N -2.034 118.399 120.400 0.056 0.000 2.340 50 D HA -0.037 4.604 4.640 0.001 0.000 0.220 50 D C 0.772 177.093 176.300 0.035 0.000 1.039 50 D CA 0.225 54.246 54.000 0.034 0.000 0.866 50 D CB -0.573 40.242 40.800 0.025 0.000 0.913 50 D HN 0.323 nan 8.370 nan 0.000 0.523 51 H N 2.081 121.138 119.070 -0.023 0.000 2.886 51 H HA 0.063 4.619 4.556 0.001 0.000 0.329 51 H C -2.152 173.114 175.328 -0.104 0.000 1.044 51 H CA -1.191 54.818 56.048 -0.064 0.000 1.456 51 H CB 0.919 30.622 29.762 -0.099 0.000 1.464 51 H HN -0.117 nan 8.280 nan 0.000 0.573 52 P HA -0.022 nan 4.420 nan 0.000 0.269 52 P C -0.739 176.455 177.300 -0.176 0.000 1.209 52 P CA 0.044 62.989 63.100 -0.258 0.000 0.776 52 P CB 1.104 32.636 31.700 -0.280 0.000 0.876 53 V N 1.338 121.166 119.914 -0.144 0.000 2.971 53 V HA 0.905 5.026 4.120 0.001 0.000 0.309 53 V C -0.169 175.788 176.094 -0.228 0.000 1.130 53 V CA 0.293 62.492 62.300 -0.168 0.000 0.964 53 V CB 1.761 33.492 31.823 -0.153 0.000 1.029 53 V HN 0.944 nan 8.190 nan 0.000 0.427 54 G N 3.839 112.432 108.800 -0.345 0.000 2.333 54 G HA2 0.347 4.308 3.960 0.001 0.000 0.288 54 G HA3 0.347 4.308 3.960 0.001 0.000 0.288 54 G C -2.342 172.166 174.900 -0.653 0.000 1.286 54 G CA -0.450 44.345 45.100 -0.509 0.000 0.865 54 G HN 0.758 nan 8.290 nan 0.000 0.506 55 Y N 0.717 120.678 120.300 -0.565 0.000 2.562 55 Y HA 0.686 5.237 4.550 0.001 0.000 0.343 55 Y C -1.737 173.851 175.900 -0.520 0.000 1.025 55 Y CA -2.040 55.541 58.100 -0.864 0.000 1.082 55 Y CB 1.845 39.204 38.460 -1.836 0.000 1.264 55 Y HN 0.421 nan 8.280 nan 0.000 0.478 56 P HA 0.149 nan 4.420 nan 0.000 0.275 56 P C -0.842 176.493 177.300 0.060 0.000 1.228 56 P CA -0.033 63.041 63.100 -0.042 0.000 0.786 56 P CB 0.666 32.370 31.700 0.006 0.000 0.927 57 D N -2.071 118.360 120.400 0.052 0.000 2.775 57 D HA -0.112 4.528 4.640 0.001 0.000 0.235 57 D C -0.300 176.068 176.300 0.113 0.000 1.120 57 D CA 1.312 55.363 54.000 0.084 0.000 0.708 57 D CB -1.943 38.917 40.800 0.101 0.000 1.084 57 D HN 0.488 nan 8.370 nan 0.000 0.434 58 T N -2.038 112.538 114.554 0.036 0.000 2.923 58 T HA 0.683 5.034 4.350 0.001 0.000 0.311 58 T C 0.026 174.599 174.700 -0.213 0.000 1.183 58 T CA 0.165 62.276 62.100 0.019 0.000 1.020 58 T CB 1.709 70.710 68.868 0.220 0.000 1.165 58 T HN 0.002 nan 8.240 nan 0.000 0.482 59 A N 2.466 125.062 122.820 -0.373 0.000 2.387 59 A HA 0.373 4.694 4.320 0.001 0.000 0.234 59 A C -0.102 176.831 177.584 -1.084 0.000 1.253 59 A CA 0.146 51.721 52.037 -0.769 0.000 0.894 59 A CB -0.152 18.345 19.000 -0.838 0.000 0.963 59 A HN 0.767 nan 8.150 nan 0.000 0.508 60 Y N -1.751 118.404 120.300 -0.242 0.000 2.734 60 Y HA 0.383 4.934 4.550 0.001 0.000 0.278 60 Y C 0.409 176.332 175.900 0.039 0.000 1.108 60 Y CA -1.318 56.740 58.100 -0.071 0.000 1.211 60 Y CB -0.793 37.647 38.460 -0.032 0.000 1.182 60 Y HN 0.330 nan 8.280 nan 0.000 0.547 61 Y N -1.822 118.457 120.300 -0.035 0.000 2.850 61 Y HA -0.405 4.145 4.550 0.001 0.000 0.469 61 Y C 0.321 176.193 175.900 -0.046 0.000 1.165 61 Y CA 0.208 58.265 58.100 -0.072 0.000 2.638 61 Y CB -1.161 37.253 38.460 -0.077 0.000 1.196 61 Y HN -0.103 nan 8.280 nan 0.000 0.625 62 L N 3.489 124.799 121.223 0.146 0.000 2.270 62 L HA 0.190 4.531 4.340 0.001 0.000 0.286 62 L C -1.833 175.094 176.870 0.096 0.000 1.059 62 L CA -1.639 53.255 54.840 0.089 0.000 0.839 62 L CB 0.926 42.955 42.059 -0.051 0.000 1.221 62 L HN 0.242 nan 8.230 nan 0.000 0.431 63 P HA -0.172 nan 4.420 nan 0.000 0.220 63 P C 1.783 179.040 177.300 -0.071 0.000 1.148 63 P CA 0.761 63.908 63.100 0.077 0.000 0.803 63 P CB 0.209 31.962 31.700 0.087 0.000 0.782 64 V N -1.717 118.124 119.914 -0.122 0.000 2.407 64 V HA -0.216 3.904 4.120 0.001 0.000 0.248 64 V C 1.959 177.889 176.094 -0.275 0.000 1.055 64 V CA 1.715 63.882 62.300 -0.221 0.000 1.049 64 V CB -1.226 30.528 31.823 -0.114 0.000 0.662 64 V HN -0.004 nan 8.190 nan 0.000 0.455 65 I N -0.012 120.349 120.570 -0.349 0.000 2.277 65 I HA -0.082 4.089 4.170 0.001 0.000 0.243 65 I C 2.822 178.899 176.117 -0.067 0.000 1.094 65 I CA 1.745 62.819 61.300 -0.377 0.000 1.393 65 I CB -0.441 37.341 38.000 -0.363 0.000 1.078 65 I HN 0.308 nan 8.210 nan 0.000 0.417 66 R N 0.647 121.130 120.500 -0.027 0.000 2.091 66 R HA -0.234 4.107 4.340 0.001 0.000 0.238 66 R C 2.535 178.860 176.300 0.043 0.000 1.136 66 R CA 2.164 58.293 56.100 0.047 0.000 0.959 66 R CB -0.888 29.518 30.300 0.177 0.000 0.856 66 R HN 0.460 nan 8.270 nan 0.000 0.437 67 C N -0.413 118.864 119.300 -0.038 0.000 2.455 67 C HA -0.076 4.385 4.460 0.001 0.000 0.281 67 C C 2.357 177.410 174.990 0.105 0.000 1.237 67 C CA 0.760 59.721 59.018 -0.095 0.000 1.726 67 C CB -1.193 26.326 27.740 -0.368 0.000 2.068 67 C HN 0.606 nan 8.230 nan 0.000 0.466 68 F N 1.535 121.586 119.950 0.168 0.000 2.335 68 F HA 0.089 4.617 4.527 0.001 0.000 0.296 68 F C 2.664 178.576 175.800 0.187 0.000 1.091 68 F CA 1.485 59.616 58.000 0.217 0.000 1.399 68 F CB -0.672 38.544 39.000 0.360 0.000 1.067 68 F HN 0.436 nan 8.300 nan 0.000 0.520 69 S N -2.552 113.377 115.700 0.382 0.000 2.632 69 S HA 0.496 4.967 4.470 0.001 0.000 0.237 69 S C 1.617 176.300 174.600 0.140 0.000 1.037 69 S CA 0.307 58.654 58.200 0.244 0.000 1.009 69 S CB 0.736 64.102 63.200 0.277 0.000 0.974 69 S HN 0.452 nan 8.310 nan 0.000 0.544 70 G N 1.195 110.063 108.800 0.113 0.000 2.241 70 G HA2 -0.245 3.716 3.960 0.001 0.000 0.244 70 G HA3 -0.245 3.716 3.960 0.001 0.000 0.244 70 G C -0.267 174.621 174.900 -0.019 0.000 0.998 70 G CA -0.017 45.111 45.100 0.047 0.000 0.621 70 G HN 0.556 nan 8.290 nan 0.000 0.519 71 E N 1.492 121.674 120.200 -0.030 0.000 2.376 71 E HA 0.439 4.790 4.350 0.001 0.000 0.266 71 E C 0.259 176.708 176.600 -0.251 0.000 1.009 71 E CA 0.187 56.521 56.400 -0.110 0.000 0.902 71 E CB 0.466 30.127 29.700 -0.065 0.000 0.972 71 E HN 0.531 nan 8.360 nan 0.000 0.439 72 E N 2.057 122.012 120.200 -0.409 0.000 1.856 72 E HA 0.107 4.457 4.350 0.001 0.000 0.263 72 E C -0.810 175.426 176.600 -0.606 0.000 1.137 72 E CA -0.277 55.565 56.400 -0.930 0.000 1.007 72 E CB 0.449 29.582 29.700 -0.946 0.000 1.117 72 E HN 0.174 nan 8.360 nan 0.000 0.438 73 V N 3.740 123.441 119.914 -0.355 0.000 2.439 73 V HA -0.010 4.111 4.120 0.001 0.000 0.271 73 V C 1.040 177.117 176.094 -0.028 0.000 1.040 73 V CA 0.602 62.818 62.300 -0.140 0.000 1.002 73 V CB 0.826 32.594 31.823 -0.092 0.000 1.000 73 V HN 0.614 nan 8.190 nan 0.000 0.477 74 K N 3.397 123.772 120.400 -0.042 0.000 2.443 74 K HA 0.226 4.547 4.320 0.001 0.000 0.200 74 K C 0.303 176.871 176.600 -0.053 0.000 1.278 74 K CA 0.101 56.387 56.287 -0.002 0.000 0.925 74 K CB 0.750 33.252 32.500 0.004 0.000 1.225 74 K HN 0.726 nan 8.250 nan 0.000 0.514 75 K N 0.031 120.396 120.400 -0.058 0.000 2.443 75 K HA 0.338 4.659 4.320 0.001 0.000 0.251 75 K C 0.672 177.246 176.600 -0.044 0.000 0.972 75 K CA -0.667 55.586 56.287 -0.056 0.000 0.833 75 K CB 1.561 34.036 32.500 -0.043 0.000 1.317 75 K HN -0.223 nan 8.250 nan 0.000 0.441 76 L N 0.847 122.056 121.223 -0.024 0.000 2.064 76 L HA -0.239 4.102 4.340 0.001 0.000 0.216 76 L C 2.206 179.070 176.870 -0.009 0.000 1.077 76 L CA 2.131 56.963 54.840 -0.013 0.000 0.766 76 L CB -0.722 41.350 42.059 0.021 0.000 0.890 76 L HN 1.117 nan 8.230 nan 0.000 0.435 77 G N -1.504 107.294 108.800 -0.002 0.000 2.625 77 G HA2 -0.180 3.781 3.960 0.001 0.000 0.214 77 G HA3 -0.180 3.781 3.960 0.001 0.000 0.214 77 G C 1.020 175.912 174.900 -0.013 0.000 1.132 77 G CA 0.379 45.477 45.100 -0.002 0.000 0.782 77 G HN 0.298 nan 8.290 nan 0.000 0.538 78 D N 0.010 120.395 120.400 -0.026 0.000 2.289 78 D HA 0.065 4.706 4.640 0.001 0.000 0.207 78 D C 2.473 178.758 176.300 -0.024 0.000 0.966 78 D CA 0.164 54.143 54.000 -0.034 0.000 0.868 78 D CB 0.258 41.024 40.800 -0.056 0.000 0.943 78 D HN 0.303 nan 8.370 nan 0.000 0.514 79 L N 0.419 121.630 121.223 -0.020 0.000 2.127 79 L HA 0.020 4.360 4.340 0.001 0.000 0.203 79 L C -0.630 176.246 176.870 0.009 0.000 1.080 79 L CA 0.598 55.432 54.840 -0.011 0.000 0.768 79 L CB -1.027 41.016 42.059 -0.025 0.000 0.924 79 L HN -0.037 nan 8.230 nan 0.000 0.444 80 P HA -0.181 nan 4.420 nan 0.000 0.215 80 P C -1.432 175.879 177.300 0.018 0.000 1.163 80 P CA 1.885 64.993 63.100 0.013 0.000 0.894 80 P CB -1.180 30.525 31.700 0.009 0.000 0.791 81 P HA -0.111 nan 4.420 nan 0.000 0.218 81 P C 1.616 178.935 177.300 0.031 0.000 1.149 81 P CA 1.398 64.508 63.100 0.016 0.000 0.817 81 P CB -0.476 31.229 31.700 0.009 0.000 0.785 82 I N -0.914 119.686 120.570 0.050 0.000 2.202 82 I HA -0.206 3.965 4.170 0.001 0.000 0.242 82 I C 2.451 178.641 176.117 0.121 0.000 1.091 82 I CA 0.971 62.332 61.300 0.102 0.000 1.368 82 I CB -0.607 37.466 38.000 0.122 0.000 1.058 82 I HN -0.086 nan 8.210 nan 0.000 0.410 83 L N 0.996 122.278 121.223 0.099 0.000 2.093 83 L HA -0.149 4.192 4.340 0.001 0.000 0.208 83 L C 2.133 179.027 176.870 0.041 0.000 1.085 83 L CA 1.804 56.700 54.840 0.092 0.000 0.755 83 L CB -0.889 41.214 42.059 0.072 0.000 0.904 83 L HN 0.164 nan 8.230 nan 0.000 0.435 84 N N 0.292 119.008 118.700 0.026 0.000 2.094 84 N HA -0.230 4.511 4.740 0.001 0.000 0.191 84 N C 1.973 177.478 175.510 -0.008 0.000 1.023 84 N CA 1.548 54.603 53.050 0.009 0.000 0.857 84 N CB -0.259 38.233 38.487 0.008 0.000 1.013 84 N HN 0.410 nan 8.380 nan 0.000 0.426 85 R N 0.550 121.044 120.500 -0.010 0.000 2.091 85 R HA -0.059 4.282 4.340 0.001 0.000 0.238 85 R C 1.725 177.973 176.300 -0.086 0.000 1.136 85 R CA 1.106 57.181 56.100 -0.043 0.000 0.959 85 R CB 0.079 30.355 30.300 -0.039 0.000 0.856 85 R HN 0.099 nan 8.270 nan 0.000 0.437 86 K N 0.017 120.359 120.400 -0.097 0.000 2.186 86 K HA -0.055 4.265 4.320 0.001 0.000 0.202 86 K C 1.857 178.413 176.600 -0.074 0.000 1.052 86 K CA 0.742 56.943 56.287 -0.145 0.000 0.965 86 K CB -0.203 32.205 32.500 -0.154 0.000 0.746 86 K HN 0.150 nan 8.250 nan 0.000 0.457 87 R N 0.771 121.254 120.500 -0.029 0.000 2.120 87 R HA -0.059 4.282 4.340 0.001 0.000 0.234 87 R C 1.801 178.095 176.300 -0.010 0.000 1.123 87 R CA 1.444 57.540 56.100 -0.007 0.000 0.975 87 R CB -0.049 30.256 30.300 0.008 0.000 0.866 87 R HN 0.109 nan 8.270 nan 0.000 0.446 88 A N 0.843 123.648 122.820 -0.025 0.000 2.072 88 A HA -0.106 4.215 4.320 0.001 0.000 0.216 88 A C 1.828 179.391 177.584 -0.036 0.000 1.156 88 A CA 0.810 52.834 52.037 -0.021 0.000 0.701 88 A CB -0.158 18.826 19.000 -0.026 0.000 0.816 88 A HN 0.626 nan 8.150 nan 0.000 0.458 89 Q N -0.223 119.539 119.800 -0.064 0.000 2.360 89 Q HA 0.194 4.535 4.340 0.001 0.000 0.202 89 Q C -0.723 175.235 176.000 -0.070 0.000 0.915 89 Q CA 0.196 55.948 55.803 -0.086 0.000 0.943 89 Q CB -0.030 28.626 28.738 -0.137 0.000 1.064 89 Q HN 0.217 nan 8.270 nan 0.000 0.511 90 V N 2.183 122.083 119.914 -0.023 0.000 2.389 90 V HA 0.184 4.305 4.120 0.001 0.000 0.264 90 V C -0.129 176.021 176.094 0.093 0.000 1.049 90 V CA -0.269 62.053 62.300 0.038 0.000 0.932 90 V CB 0.960 32.825 31.823 0.070 0.000 1.011 90 V HN 0.277 nan 8.190 nan 0.000 0.475 91 S N 7.043 122.754 115.700 0.019 0.000 2.475 91 S HA 0.531 5.002 4.470 0.001 0.000 0.298 91 S C -1.205 173.217 174.600 -0.297 0.000 1.119 91 S CA -1.547 56.610 58.200 -0.071 0.000 1.085 91 S CB 1.860 64.990 63.200 -0.116 0.000 1.028 91 S HN 0.603 nan 8.310 nan 0.000 0.489 92 P HA 0.015 nan 4.420 nan 0.000 0.230 92 P C 0.098 177.131 177.300 -0.446 0.000 1.158 92 P CA 0.328 62.985 63.100 -0.737 0.000 0.769 92 P CB -0.095 31.414 31.700 -0.318 0.000 0.807 93 V N 2.375 122.127 119.914 -0.269 0.000 2.421 93 V HA 0.001 4.122 4.120 0.001 0.000 0.271 93 V C 0.853 176.823 176.094 -0.207 0.000 1.031 93 V CA 0.166 62.355 62.300 -0.185 0.000 1.032 93 V CB -0.205 31.540 31.823 -0.131 0.000 1.009 93 V HN -0.011 nan 8.190 nan 0.000 0.477 94 L N 7.931 129.059 121.223 -0.159 0.000 2.260 94 L HA 0.555 4.896 4.340 0.001 0.000 0.289 94 L C 0.412 177.233 176.870 -0.081 0.000 1.057 94 L CA 0.083 54.850 54.840 -0.121 0.000 0.811 94 L CB 0.264 42.328 42.059 0.009 0.000 1.184 94 L HN 0.913 nan 8.230 nan 0.000 0.429 95 N N 1.479 119.933 118.700 -0.410 0.000 3.116 95 N HA 0.119 4.859 4.740 0.001 0.000 0.244 95 N C 0.122 174.994 175.510 -1.064 0.000 1.485 95 N CA -0.820 51.919 53.050 -0.519 0.000 0.884 95 N CB 0.881 39.276 38.487 -0.153 0.000 1.415 95 N HN 0.173 nan 8.380 nan 0.000 0.524 96 F N 1.106 120.555 119.950 -0.835 0.000 2.186 96 F HA 0.007 4.534 4.527 0.001 0.000 0.299 96 F C 2.301 177.802 175.800 -0.498 0.000 1.090 96 F CA 1.555 59.152 58.000 -0.673 0.000 1.307 96 F CB -0.546 38.388 39.000 -0.109 0.000 1.019 96 F HN 0.853 nan 8.300 nan 0.000 0.489 97 E N -0.135 119.860 120.200 -0.341 0.000 2.072 97 E HA -0.211 4.140 4.350 0.001 0.000 0.191 97 E C 1.842 178.264 176.600 -0.295 0.000 0.985 97 E CA 1.381 57.553 56.400 -0.381 0.000 0.801 97 E CB -0.184 29.351 29.700 -0.275 0.000 0.750 97 E HN 0.239 nan 8.360 nan 0.000 0.452 98 N N 0.722 119.243 118.700 -0.297 0.000 2.244 98 N HA -0.112 4.629 4.740 0.001 0.000 0.183 98 N C 1.609 176.958 175.510 -0.268 0.000 1.016 98 N CA 1.256 54.150 53.050 -0.261 0.000 0.866 98 N CB -0.452 37.883 38.487 -0.254 0.000 0.980 98 N HN 0.310 nan 8.380 nan 0.000 0.430 99 A N 1.547 124.149 122.820 -0.364 0.000 1.877 99 A HA -0.122 4.199 4.320 0.001 0.000 0.216 99 A C 2.252 179.809 177.584 -0.045 0.000 1.186 99 A CA 1.177 53.042 52.037 -0.286 0.000 0.620 99 A CB -0.413 18.341 19.000 -0.410 0.000 0.822 99 A HN 0.206 nan 8.150 nan 0.000 0.443 100 R N -0.733 119.774 120.500 0.010 0.000 2.081 100 R HA -0.067 4.274 4.340 0.001 0.000 0.235 100 R C 2.080 178.303 176.300 -0.129 0.000 1.131 100 R CA 1.504 57.618 56.100 0.023 0.000 0.960 100 R CB -0.547 29.614 30.300 -0.230 0.000 0.856 100 R HN 0.518 nan 8.270 nan 0.000 0.436 101 L N 0.035 121.140 121.223 -0.196 0.000 2.141 101 L HA -0.134 4.207 4.340 0.001 0.000 0.209 101 L C 2.634 179.308 176.870 -0.327 0.000 1.094 101 L CA 1.051 55.691 54.840 -0.334 0.000 0.763 101 L CB -0.470 41.451 42.059 -0.229 0.000 0.908 101 L HN 0.242 nan 8.230 nan 0.000 0.437 102 A N 0.197 122.897 122.820 -0.200 0.000 1.930 102 A HA -0.100 4.221 4.320 0.001 0.000 0.217 102 A C 2.408 179.922 177.584 -0.116 0.000 1.175 102 A CA 1.563 53.522 52.037 -0.130 0.000 0.627 102 A CB -1.171 17.783 19.000 -0.078 0.000 0.815 102 A HN 0.428 nan 8.150 nan 0.000 0.443 103 G N -0.407 108.328 108.800 -0.107 0.000 2.446 103 G HA2 -0.300 3.661 3.960 0.001 0.000 0.217 103 G HA3 -0.300 3.661 3.960 0.001 0.000 0.217 103 G C 1.486 176.196 174.900 -0.317 0.000 1.168 103 G CA 1.119 46.160 45.100 -0.098 0.000 0.771 103 G HN 0.649 nan 8.290 nan 0.000 0.551 104 E N 0.542 120.372 120.200 -0.617 0.000 2.070 104 E HA -0.155 4.196 4.350 0.001 0.000 0.197 104 E C 2.831 179.294 176.600 -0.228 0.000 1.004 104 E CA 1.171 57.135 56.400 -0.726 0.000 0.805 104 E CB -0.280 28.551 29.700 -1.448 0.000 0.744 104 E HN 0.333 nan 8.360 nan 0.000 0.451 105 A N 0.216 122.890 122.820 -0.244 0.000 1.908 105 A HA -0.181 4.140 4.320 0.001 0.000 0.218 105 A C 2.373 180.012 177.584 0.091 0.000 1.181 105 A CA 2.148 54.116 52.037 -0.114 0.000 0.627 105 A CB -0.908 18.020 19.000 -0.120 0.000 0.818 105 A HN 0.354 nan 8.150 nan 0.000 0.445 106 T N -1.708 112.908 114.554 0.103 0.000 2.777 106 T HA -0.158 4.192 4.350 0.001 0.000 0.266 106 T C 1.505 176.403 174.700 0.330 0.000 1.040 106 T CA 1.270 63.484 62.100 0.191 0.000 1.141 106 T CB -0.316 68.664 68.868 0.187 0.000 0.868 106 T HN 0.660 nan 8.240 nan 0.000 0.444 107 W N 0.846 122.210 121.300 0.105 0.000 2.338 107 W HA -0.034 4.627 4.660 0.002 0.000 0.304 107 W C 2.041 178.660 176.519 0.166 0.000 1.212 107 W CA 0.072 57.499 57.345 0.136 0.000 1.264 107 W CB -1.234 28.348 29.460 0.203 0.000 1.142 107 W HN 0.297 nan 8.180 nan 0.000 0.512 108 Y N -0.110 120.321 120.300 0.219 0.000 2.145 108 Y HA -0.160 4.390 4.550 0.001 0.000 0.286 108 Y C 2.565 178.501 175.900 0.059 0.000 1.145 108 Y CA 1.910 60.082 58.100 0.119 0.000 1.148 108 Y CB -1.421 37.089 38.460 0.082 0.000 0.981 108 Y HN -0.079 nan 8.280 nan 0.000 0.507 109 A N -0.182 122.769 122.820 0.219 0.000 1.908 109 A HA -0.176 4.145 4.320 0.001 0.000 0.218 109 A C 2.455 180.055 177.584 0.028 0.000 1.181 109 A CA 2.101 54.201 52.037 0.105 0.000 0.627 109 A CB -1.253 17.810 19.000 0.105 0.000 0.818 109 A HN 0.414 nan 8.150 nan 0.000 0.445 110 A N -0.529 122.304 122.820 0.022 0.000 1.898 110 A HA -0.089 4.232 4.320 0.001 0.000 0.216 110 A C 1.954 179.484 177.584 -0.090 0.000 1.181 110 A CA 1.993 53.983 52.037 -0.078 0.000 0.620 110 A CB -0.490 18.444 19.000 -0.109 0.000 0.819 110 A HN 0.537 nan 8.150 nan 0.000 0.442 111 E N 0.279 120.441 120.200 -0.064 0.000 2.058 111 E HA -0.183 4.168 4.350 0.001 0.000 0.194 111 E C 1.651 178.230 176.600 -0.034 0.000 0.997 111 E CA 1.689 58.066 56.400 -0.039 0.000 0.801 111 E CB -0.397 29.257 29.700 -0.078 0.000 0.746 111 E HN 0.628 nan 8.360 nan 0.000 0.450 112 I N -0.063 120.474 120.570 -0.055 0.000 2.179 112 I HA -0.246 3.925 4.170 0.001 0.000 0.242 112 I C 2.236 178.306 176.117 -0.079 0.000 1.088 112 I CA 0.984 62.239 61.300 -0.075 0.000 1.357 112 I CB -0.205 37.767 38.000 -0.048 0.000 1.051 112 I HN 0.163 nan 8.210 nan 0.000 0.409 113 I N 0.185 120.705 120.570 -0.083 0.000 2.208 113 I HA -0.274 3.897 4.170 0.001 0.000 0.245 113 I C 2.511 178.621 176.117 -0.012 0.000 1.097 113 I CA 1.255 62.493 61.300 -0.104 0.000 1.363 113 I CB -0.412 37.489 38.000 -0.165 0.000 1.051 113 I HN 0.220 nan 8.210 nan 0.000 0.413 114 E N 0.776 121.001 120.200 0.042 0.000 2.106 114 E HA -0.174 4.177 4.350 0.001 0.000 0.192 114 E C 2.334 179.080 176.600 0.243 0.000 0.984 114 E CA 1.440 57.978 56.400 0.230 0.000 0.806 114 E CB -0.228 29.656 29.700 0.307 0.000 0.750 114 E HN 0.514 nan 8.360 nan 0.000 0.458 115 A N 0.805 123.603 122.820 -0.037 0.000 1.929 115 A HA -0.079 4.241 4.320 0.001 0.000 0.216 115 A C 2.343 179.855 177.584 -0.120 0.000 1.176 115 A CA 0.754 52.590 52.037 -0.335 0.000 0.628 115 A CB -0.562 18.131 19.000 -0.512 0.000 0.816 115 A HN 0.176 nan 8.150 nan 0.000 0.444 116 L N -1.166 120.021 121.223 -0.060 0.000 2.131 116 L HA -0.128 4.212 4.340 0.001 0.000 0.210 116 L C 2.695 179.582 176.870 0.028 0.000 1.092 116 L CA 1.155 55.976 54.840 -0.032 0.000 0.759 116 L CB -0.346 41.687 42.059 -0.044 0.000 0.903 116 L HN 0.307 nan 8.230 nan 0.000 0.435 117 R N -1.495 119.060 120.500 0.093 0.000 2.189 117 R HA -0.110 4.231 4.340 0.001 0.000 0.218 117 R C 1.610 177.959 176.300 0.081 0.000 1.074 117 R CA 0.833 56.997 56.100 0.105 0.000 0.991 117 R CB -0.039 30.351 30.300 0.150 0.000 0.883 117 R HN 0.251 nan 8.270 nan 0.000 0.457 118 Y N 0.142 120.437 120.300 -0.010 0.000 2.490 118 Y HA 0.064 4.615 4.550 0.002 0.000 0.281 118 Y C 1.498 177.404 175.900 0.011 0.000 1.174 118 Y CA 0.339 58.439 58.100 -0.000 0.000 1.295 118 Y CB 0.160 38.533 38.460 -0.144 0.000 1.062 118 Y HN -0.008 nan 8.280 nan 0.000 0.522 119 L N -0.555 120.704 121.223 0.061 0.000 2.201 119 L HA -0.175 4.166 4.340 0.001 0.000 0.212 119 L C 1.863 178.762 176.870 0.048 0.000 1.105 119 L CA 1.134 55.980 54.840 0.008 0.000 0.775 119 L CB -0.192 41.798 42.059 -0.115 0.000 0.913 119 L HN -0.046 nan 8.230 nan 0.000 0.440 120 K N -0.591 119.837 120.400 0.046 0.000 2.404 120 K HA 0.065 4.386 4.320 0.001 0.000 0.194 120 K C -0.065 176.546 176.600 0.019 0.000 1.023 120 K CA -0.097 56.210 56.287 0.034 0.000 1.094 120 K CB -0.042 32.469 32.500 0.019 0.000 0.841 120 K HN 0.131 nan 8.250 nan 0.000 0.523 121 Y N 1.758 121.991 120.300 -0.112 0.000 2.346 121 Y HA 0.143 4.694 4.550 0.002 0.000 0.330 121 Y C -0.323 175.553 175.900 -0.039 0.000 1.178 121 Y CA 0.127 58.148 58.100 -0.132 0.000 1.331 121 Y CB 0.628 38.964 38.460 -0.207 0.000 1.253 121 Y HN -0.235 nan 8.280 nan 0.000 0.529 122 K N 7.023 126.950 120.400 -0.788 0.000 2.426 122 K HA 0.293 4.614 4.320 0.001 0.000 0.251 122 K C -2.218 173.834 176.600 -0.913 0.000 0.941 122 K CA -2.070 53.869 56.287 -0.581 0.000 0.808 122 K CB 2.317 34.657 32.500 -0.266 0.000 1.265 122 K HN 0.327 nan 8.250 nan 0.000 0.432 123 P HA -0.257 nan 4.420 nan 0.000 0.215 123 P C 0.503 177.687 177.300 -0.194 0.000 1.163 123 P CA 1.544 64.509 63.100 -0.225 0.000 0.894 123 P CB 0.057 31.735 31.700 -0.038 0.000 0.791 124 D N -0.887 119.418 120.400 -0.158 0.000 2.351 124 D HA -0.155 4.486 4.640 0.001 0.000 0.216 124 D C 0.624 176.847 176.300 -0.129 0.000 0.968 124 D CA 0.814 54.751 54.000 -0.104 0.000 0.899 124 D CB -0.166 40.587 40.800 -0.078 0.000 0.907 124 D HN 0.300 nan 8.370 nan 0.000 0.514 125 E N 1.034 121.091 120.200 -0.238 0.000 3.117 125 E HA 0.230 4.581 4.350 0.001 0.000 0.262 125 E C -2.761 173.685 176.600 -0.257 0.000 1.202 125 E CA -1.709 54.568 56.400 -0.203 0.000 0.853 125 E CB 1.592 31.182 29.700 -0.183 0.000 1.426 125 E HN 0.027 nan 8.360 nan 0.000 0.387 126 P HA 0.166 nan 4.420 nan 0.000 0.278 126 P C 1.031 178.331 177.300 0.001 0.000 1.258 126 P CA -0.460 62.640 63.100 -0.001 0.000 0.811 126 P CB 1.179 32.974 31.700 0.158 0.000 1.063 127 L N -0.793 120.442 121.223 0.020 0.000 2.141 127 L HA 0.008 4.349 4.340 0.001 0.000 0.209 127 L C 0.824 177.670 176.870 -0.040 0.000 1.094 127 L CA 1.392 56.205 54.840 -0.046 0.000 0.763 127 L CB -0.454 41.538 42.059 -0.112 0.000 0.908 127 L HN 0.281 nan 8.230 nan 0.000 0.437 128 L N -0.657 120.570 121.223 0.006 0.000 2.388 128 L HA 0.457 4.798 4.340 0.001 0.000 0.264 128 L C -2.446 174.472 176.870 0.080 0.000 0.998 128 L CA -1.855 52.962 54.840 -0.040 0.000 0.817 128 L CB 2.351 44.367 42.059 -0.071 0.000 1.338 128 L HN -0.234 nan 8.230 nan 0.000 0.414 129 P HA 0.343 nan 4.420 nan 0.000 0.278 129 P C -2.772 174.741 177.300 0.356 0.000 1.258 129 P CA -2.062 61.150 63.100 0.187 0.000 0.811 129 P CB 0.021 31.807 31.700 0.144 0.000 1.063 130 P HA 0.047 nan 4.420 nan 0.000 0.264 130 P C -1.875 175.586 177.300 0.268 0.000 1.183 130 P CA -0.519 62.721 63.100 0.234 0.000 0.763 130 P CB -0.766 31.026 31.700 0.152 0.000 0.807 131 P HA 0.083 nan 4.420 nan 0.000 0.267 131 P C -0.034 177.310 177.300 0.075 0.000 1.289 131 P CA -0.009 63.116 63.100 0.042 0.000 0.866 131 P CB 0.261 31.894 31.700 -0.112 0.000 1.309 132 W N 1.629 122.981 121.300 0.087 0.000 2.274 132 W HA -0.006 4.655 4.660 0.001 0.000 0.345 132 W C 1.460 178.043 176.519 0.106 0.000 1.265 132 W CA 1.247 58.653 57.345 0.102 0.000 1.293 132 W CB 0.094 29.615 29.460 0.102 0.000 1.175 132 W HN 0.062 nan 8.180 nan 0.000 0.577 133 T N -0.447 114.300 114.554 0.321 0.000 3.000 133 T HA 0.264 4.614 4.350 0.001 0.000 0.248 133 T C 1.446 176.251 174.700 0.175 0.000 1.034 133 T CA 0.547 62.762 62.100 0.190 0.000 1.060 133 T CB 0.279 69.191 68.868 0.073 0.000 0.983 133 T HN 0.732 nan 8.240 nan 0.000 0.482 134 G N 2.248 111.186 108.800 0.230 0.000 2.627 134 G HA2 -0.306 3.655 3.960 0.001 0.000 0.312 134 G HA3 -0.306 3.655 3.960 0.001 0.000 0.312 134 G C -0.101 174.628 174.900 -0.284 0.000 1.299 134 G CA 0.200 45.382 45.100 0.137 0.000 0.989 134 G HN 0.770 nan 8.290 nan 0.000 0.547 135 F N 1.270 120.709 119.950 -0.851 0.000 2.608 135 F HA 0.470 4.998 4.527 0.001 0.000 0.380 135 F C 0.952 176.497 175.800 -0.425 0.000 1.083 135 F CA -0.077 57.329 58.000 -0.990 0.000 1.266 135 F CB 0.176 38.394 39.000 -1.304 0.000 1.076 135 F HN 0.366 nan 8.300 nan 0.000 0.574 136 I N 6.214 126.195 120.570 -0.981 0.000 2.304 136 I HA 0.279 4.450 4.170 0.001 0.000 0.291 136 I C 0.903 176.458 176.117 -0.938 0.000 1.018 136 I CA -0.470 60.416 61.300 -0.690 0.000 1.260 136 I CB 0.750 38.467 38.000 -0.471 0.000 1.390 136 I HN 0.758 nan 8.210 nan 0.000 0.475 137 G N 3.728 112.251 108.800 -0.462 0.000 2.484 137 G HA2 -0.051 3.910 3.960 0.001 0.000 0.235 137 G HA3 -0.051 3.910 3.960 0.001 0.000 0.235 137 G C 0.525 175.265 174.900 -0.267 0.000 1.282 137 G CA -0.276 44.676 45.100 -0.247 0.000 0.857 137 G HN 0.687 nan 8.290 nan 0.000 0.571 138 D N 1.906 122.229 120.400 -0.128 0.000 2.133 138 D HA -0.116 4.525 4.640 0.001 0.000 0.192 138 D C 0.016 176.283 176.300 -0.055 0.000 1.001 138 D CA 1.527 55.473 54.000 -0.090 0.000 0.844 138 D CB -0.859 39.965 40.800 0.039 0.000 0.944 138 D HN 0.291 nan 8.370 nan 0.000 0.447 139 P HA -0.093 nan 4.420 nan 0.000 0.219 139 P C 1.528 178.749 177.300 -0.132 0.000 1.146 139 P CA 0.684 63.775 63.100 -0.015 0.000 0.808 139 P CB 0.175 31.837 31.700 -0.063 0.000 0.779 140 V N -0.726 119.098 119.914 -0.150 0.000 2.346 140 V HA -0.163 3.958 4.120 0.001 0.000 0.244 140 V C 2.401 178.445 176.094 -0.082 0.000 1.037 140 V CA 1.507 63.725 62.300 -0.137 0.000 1.029 140 V CB -1.246 30.538 31.823 -0.064 0.000 0.663 140 V HN -0.059 nan 8.190 nan 0.000 0.454 141 V N 0.228 119.998 119.914 -0.240 0.000 2.439 141 V HA -0.309 3.812 4.120 0.001 0.000 0.253 141 V C 2.481 178.573 176.094 -0.004 0.000 1.074 141 V CA 2.187 64.308 62.300 -0.298 0.000 1.076 141 V CB -0.927 30.507 31.823 -0.648 0.000 0.664 141 V HN 0.491 nan 8.190 nan 0.000 0.461 142 R N -0.756 119.716 120.500 -0.048 0.000 2.189 142 R HA 0.068 4.409 4.340 0.001 0.000 0.203 142 R C 2.501 178.742 176.300 -0.099 0.000 1.012 142 R CA 0.403 56.519 56.100 0.026 0.000 1.015 142 R CB -0.248 30.047 30.300 -0.008 0.000 0.938 142 R HN 0.412 nan 8.270 nan 0.000 0.472 143 R N 0.309 120.655 120.500 -0.257 0.000 2.127 143 R HA -0.126 4.215 4.340 0.001 0.000 0.238 143 R C 0.510 176.497 176.300 -0.522 0.000 1.134 143 R CA 1.475 57.278 56.100 -0.495 0.000 0.975 143 R CB 0.049 29.875 30.300 -0.791 0.000 0.865 143 R HN 0.131 nan 8.270 nan 0.000 0.447 144 F N -1.178 118.745 119.950 -0.044 0.000 2.678 144 F HA 0.360 4.887 4.527 0.001 0.000 0.305 144 F C 1.923 177.616 175.800 -0.178 0.000 1.090 144 F CA 0.046 57.997 58.000 -0.081 0.000 1.272 144 F CB 0.211 39.204 39.000 -0.011 0.000 1.060 144 F HN 0.062 nan 8.300 nan 0.000 0.576 145 G N 0.580 109.317 108.800 -0.104 0.000 2.418 145 G HA2 -0.267 3.693 3.960 0.001 0.000 0.217 145 G HA3 -0.267 3.693 3.960 0.001 0.000 0.217 145 G C 1.699 176.285 174.900 -0.523 0.000 1.158 145 G CA 0.683 45.483 45.100 -0.500 0.000 0.771 145 G HN 0.359 nan 8.290 nan 0.000 0.545 146 I N -0.371 120.011 120.570 -0.312 0.000 3.010 146 I HA 0.057 4.228 4.170 0.001 0.000 0.271 146 I C 2.191 178.172 176.117 -0.226 0.000 1.293 146 I CA 1.154 62.300 61.300 -0.257 0.000 1.452 146 I CB 0.091 38.001 38.000 -0.151 0.000 1.082 146 I HN 0.042 nan 8.210 nan 0.000 0.484 147 K N -1.026 119.248 120.400 -0.210 0.000 2.367 147 K HA 0.208 4.529 4.320 0.001 0.000 0.195 147 K C 1.850 178.283 176.600 -0.279 0.000 1.060 147 K CA 0.238 56.431 56.287 -0.155 0.000 1.022 147 K CB 0.234 32.702 32.500 -0.053 0.000 0.894 147 K HN 0.275 nan 8.250 nan 0.000 0.540 148 M N 0.504 119.831 119.600 -0.454 0.000 2.236 148 M HA -0.095 4.386 4.480 0.001 0.000 0.266 148 M C 2.113 177.829 176.300 -0.974 0.000 1.070 148 M CA 1.112 56.003 55.300 -0.682 0.000 1.137 148 M CB -0.144 31.906 32.600 -0.917 0.000 1.378 148 M HN 0.002 nan 8.290 nan 0.000 0.426 149 V N -0.403 118.999 119.914 -0.854 0.000 2.759 149 V HA -0.147 3.974 4.120 0.001 0.000 0.256 149 V C 0.942 176.693 176.094 -0.573 0.000 1.080 149 V CA 1.967 63.891 62.300 -0.626 0.000 1.101 149 V CB -0.940 30.689 31.823 -0.323 0.000 0.698 149 V HN 0.549 nan 8.190 nan 0.000 0.477 150 D N -3.021 117.108 120.400 -0.452 0.000 2.462 150 D HA 0.072 4.713 4.640 0.001 0.000 0.221 150 D C 0.524 176.786 176.300 -0.063 0.000 1.173 150 D CA -0.779 53.097 54.000 -0.207 0.000 0.831 150 D CB -0.918 39.844 40.800 -0.063 0.000 1.001 150 D HN 0.644 nan 8.370 nan 0.000 0.499 151 W N -0.109 121.195 121.300 0.007 0.000 3.834 151 W HA -0.313 4.347 4.660 0.001 0.000 0.320 151 W C 1.733 178.218 176.519 -0.057 0.000 1.201 151 W CA 0.641 57.973 57.345 -0.022 0.000 0.701 151 W CB -2.720 26.738 29.460 -0.003 0.000 2.264 151 W HN 0.236 nan 8.180 nan 0.000 1.413 152 T N -1.119 113.459 114.554 0.041 0.000 2.881 152 T HA -0.046 4.305 4.350 0.001 0.000 0.270 152 T C 0.674 175.355 174.700 -0.031 0.000 1.068 152 T CA 1.269 63.394 62.100 0.042 0.000 1.131 152 T CB 0.041 68.954 68.868 0.075 0.000 0.871 152 T HN 0.207 nan 8.240 nan 0.000 0.479 153 I N 2.690 123.206 120.570 -0.090 0.000 2.297 153 I HA 0.310 4.480 4.170 0.001 0.000 0.291 153 I C -1.789 174.280 176.117 -0.079 0.000 1.033 153 I CA -2.527 58.675 61.300 -0.163 0.000 1.253 153 I CB 2.325 40.205 38.000 -0.200 0.000 1.396 153 I HN 0.039 nan 8.210 nan 0.000 0.476 154 P HA 0.183 nan 4.420 nan 0.000 0.234 154 P C 0.479 177.725 177.300 -0.090 0.000 1.175 154 P CA 0.290 63.345 63.100 -0.075 0.000 0.801 154 P CB 0.635 32.150 31.700 -0.308 0.000 0.891 155 G N -1.124 107.461 108.800 -0.358 0.000 2.428 155 G HA2 0.443 4.404 3.960 0.001 0.000 0.304 155 G HA3 0.443 4.404 3.960 0.001 0.000 0.304 155 G C -1.978 172.867 174.900 -0.092 0.000 1.303 155 G CA -0.529 44.505 45.100 -0.109 0.000 0.825 155 G HN -0.124 nan 8.290 nan 0.000 0.484 156 E N -0.848 119.341 120.200 -0.019 0.000 2.272 156 E HA 0.682 5.033 4.350 0.001 0.000 0.269 156 E C -0.412 175.956 176.600 -0.385 0.000 0.877 156 E CA -0.452 55.914 56.400 -0.056 0.000 0.755 156 E CB 2.243 31.933 29.700 -0.016 0.000 1.192 156 E HN 0.881 nan 8.360 nan 0.000 0.422 157 A N 3.472 126.103 122.820 -0.314 0.000 2.304 157 A HA 0.634 4.954 4.320 0.001 0.000 0.314 157 A C -0.641 176.883 177.584 -0.100 0.000 1.187 157 A CA -0.629 51.087 52.037 -0.535 0.000 0.810 157 A CB 0.226 18.991 19.000 -0.393 0.000 1.183 157 A HN 0.647 nan 8.150 nan 0.000 0.487 158 I N 4.014 124.551 120.570 -0.055 0.000 2.307 158 I HA 0.305 4.475 4.170 0.001 0.000 0.289 158 I C -0.580 175.593 176.117 0.094 0.000 1.021 158 I CA -0.026 61.318 61.300 0.073 0.000 1.224 158 I CB 0.843 38.846 38.000 0.005 0.000 1.376 158 I HN 0.478 nan 8.210 nan 0.000 0.470 159 I N 7.494 128.129 120.570 0.108 0.000 2.362 159 I HA 0.403 4.573 4.170 0.001 0.000 0.289 159 I C -0.775 175.416 176.117 0.123 0.000 0.994 159 I CA -0.725 60.639 61.300 0.107 0.000 1.158 159 I CB 1.846 39.893 38.000 0.079 0.000 1.315 159 I HN 0.389 nan 8.210 nan 0.000 0.451 160 L N 6.900 128.204 121.223 0.135 0.000 2.410 160 L HA 0.963 5.304 4.340 0.001 0.000 0.270 160 L C -0.063 176.921 176.870 0.191 0.000 0.983 160 L CA 0.418 55.339 54.840 0.134 0.000 0.822 160 L CB 1.643 43.739 42.059 0.062 0.000 1.285 160 L HN 0.850 nan 8.230 nan 0.000 0.409 161 G N 3.630 112.549 108.800 0.199 0.000 2.416 161 G HA2 -0.041 3.920 3.960 0.001 0.000 0.203 161 G HA3 -0.041 3.920 3.960 0.001 0.000 0.203 161 G C -1.201 173.815 174.900 0.194 0.000 1.227 161 G CA -0.202 45.039 45.100 0.235 0.000 1.041 161 G HN 0.868 nan 8.290 nan 0.000 0.546 162 R N 0.099 120.714 120.500 0.192 0.000 2.532 162 R HA 0.686 5.027 4.340 0.001 0.000 0.297 162 R C 0.377 176.775 176.300 0.164 0.000 0.984 162 R CA 0.107 56.301 56.100 0.156 0.000 0.884 162 R CB 1.342 31.720 30.300 0.130 0.000 1.182 162 R HN 1.632 nan 8.270 nan 0.000 0.442 163 A N 3.074 125.992 122.820 0.163 0.000 2.366 163 A HA 0.131 4.452 4.320 0.001 0.000 0.249 163 A C 0.933 178.568 177.584 0.086 0.000 1.084 163 A CA -0.174 51.990 52.037 0.210 0.000 0.794 163 A CB 0.439 19.577 19.000 0.230 0.000 1.034 163 A HN 0.995 nan 8.150 nan 0.000 0.491 164 K N -0.098 120.300 120.400 -0.002 0.000 2.209 164 K HA -0.107 4.213 4.320 0.001 0.000 0.204 164 K C -0.268 176.256 176.600 -0.127 0.000 1.048 164 K CA 1.672 57.895 56.287 -0.106 0.000 0.940 164 K CB -0.430 31.923 32.500 -0.244 0.000 0.729 164 K HN 0.854 nan 8.250 nan 0.000 0.451 165 D N -2.334 117.975 120.400 -0.152 0.000 2.622 165 D HA 0.178 4.818 4.640 0.001 0.000 0.255 165 D C -0.140 176.130 176.300 -0.050 0.000 1.246 165 D CA -0.749 53.201 54.000 -0.083 0.000 0.795 165 D CB 1.379 42.122 40.800 -0.095 0.000 1.369 165 D HN -0.185 nan 8.370 nan 0.000 0.425 166 S N -0.079 115.609 115.700 -0.020 0.000 2.368 166 S HA -0.235 4.236 4.470 0.001 0.000 0.226 166 S C 1.571 176.164 174.600 -0.012 0.000 1.044 166 S CA 1.621 59.817 58.200 -0.006 0.000 1.062 166 S CB -0.343 62.853 63.200 -0.006 0.000 0.931 166 S HN 0.472 nan 8.310 nan 0.000 0.440 167 K N 1.573 121.955 120.400 -0.029 0.000 2.057 167 K HA 0.109 4.429 4.320 0.001 0.000 0.207 167 K C 2.193 178.781 176.600 -0.020 0.000 1.049 167 K CA 1.295 57.567 56.287 -0.025 0.000 0.931 167 K CB -0.956 31.523 32.500 -0.034 0.000 0.714 167 K HN 0.316 nan 8.250 nan 0.000 0.440 168 A N 0.671 123.458 122.820 -0.055 0.000 1.851 168 A HA -0.190 4.131 4.320 0.001 0.000 0.216 168 A C 2.167 179.806 177.584 0.093 0.000 1.195 168 A CA 1.801 53.818 52.037 -0.034 0.000 0.622 168 A CB -0.930 17.895 19.000 -0.291 0.000 0.831 168 A HN 0.275 nan 8.150 nan 0.000 0.444 169 L N -0.187 121.099 121.223 0.105 0.000 2.013 169 L HA -0.156 4.185 4.340 0.001 0.000 0.212 169 L C 2.754 179.667 176.870 0.072 0.000 1.073 169 L CA 2.424 57.348 54.840 0.141 0.000 0.753 169 L CB -0.884 41.243 42.059 0.114 0.000 0.890 169 L HN 0.408 nan 8.230 nan 0.000 0.432 170 A N -0.596 122.246 122.820 0.038 0.000 1.903 170 A HA -0.359 3.962 4.320 0.001 0.000 0.219 170 A C 2.477 180.077 177.584 0.027 0.000 1.191 170 A CA 2.462 54.509 52.037 0.017 0.000 0.638 170 A CB -0.805 18.198 19.000 0.004 0.000 0.823 170 A HN 0.546 nan 8.150 nan 0.000 0.451 171 K N -0.572 119.849 120.400 0.036 0.000 2.009 171 K HA -0.143 4.178 4.320 0.001 0.000 0.210 171 K C 1.918 178.542 176.600 0.041 0.000 1.049 171 K CA 1.834 58.144 56.287 0.038 0.000 0.929 171 K CB -0.369 32.156 32.500 0.042 0.000 0.714 171 K HN 0.509 nan 8.250 nan 0.000 0.440 172 I N 0.681 121.283 120.570 0.054 0.000 2.194 172 I HA -0.314 3.857 4.170 0.001 0.000 0.246 172 I C 2.218 178.333 176.117 -0.002 0.000 1.093 172 I CA 1.087 62.401 61.300 0.023 0.000 1.355 172 I CB -0.153 37.864 38.000 0.028 0.000 1.046 172 I HN 0.048 nan 8.210 nan 0.000 0.413 173 V N 1.140 121.057 119.914 0.005 0.000 2.358 173 V HA -0.308 3.813 4.120 0.001 0.000 0.246 173 V C 2.514 178.610 176.094 0.004 0.000 1.047 173 V CA 2.184 64.474 62.300 -0.017 0.000 1.035 173 V CB -0.717 31.090 31.823 -0.027 0.000 0.658 173 V HN 0.490 nan 8.190 nan 0.000 0.452 174 K N 0.782 121.203 120.400 0.035 0.000 2.044 174 K HA -0.296 4.025 4.320 0.001 0.000 0.210 174 K C 2.162 178.812 176.600 0.084 0.000 1.049 174 K CA 2.449 58.783 56.287 0.079 0.000 0.927 174 K CB -0.384 32.157 32.500 0.067 0.000 0.713 174 K HN 0.557 nan 8.250 nan 0.000 0.443 175 E N 0.561 120.794 120.200 0.055 0.000 2.077 175 E HA -0.174 4.176 4.350 0.001 0.000 0.193 175 E C 2.133 178.775 176.600 0.070 0.000 0.989 175 E CA 1.122 57.559 56.400 0.061 0.000 0.800 175 E CB -0.064 29.656 29.700 0.033 0.000 0.746 175 E HN 0.442 nan 8.360 nan 0.000 0.452 176 L N 0.146 121.377 121.223 0.014 0.000 2.083 176 L HA -0.174 4.167 4.340 0.001 0.000 0.209 176 L C 2.705 179.664 176.870 0.148 0.000 1.083 176 L CA 0.960 55.801 54.840 0.002 0.000 0.752 176 L CB -0.251 41.713 42.059 -0.158 0.000 0.899 176 L HN 0.296 nan 8.230 nan 0.000 0.433 177 M N -0.919 118.705 119.600 0.041 0.000 2.156 177 M HA -0.064 4.417 4.480 0.001 0.000 0.264 177 M C 2.272 178.572 176.300 -0.001 0.000 1.067 177 M CA 1.632 56.890 55.300 -0.069 0.000 1.131 177 M CB -0.687 31.822 32.600 -0.152 0.000 1.368 177 M HN 0.321 nan 8.290 nan 0.000 0.416 178 G N 0.209 109.089 108.800 0.133 0.000 2.470 178 G HA2 -0.174 3.787 3.960 0.001 0.000 0.220 178 G HA3 -0.174 3.787 3.960 0.001 0.000 0.220 178 G C 1.384 176.393 174.900 0.182 0.000 1.121 178 G CA 0.516 45.734 45.100 0.197 0.000 0.766 178 G HN 0.408 nan 8.290 nan 0.000 0.553 179 M N -0.070 119.650 119.600 0.199 0.000 2.502 179 M HA 0.261 4.742 4.480 0.001 0.000 0.243 179 M C 1.728 178.066 176.300 0.063 0.000 1.130 179 M CA 0.672 56.093 55.300 0.201 0.000 1.055 179 M CB 0.600 33.413 32.600 0.356 0.000 1.457 179 M HN 0.302 nan 8.290 nan 0.000 0.488 180 G N 0.832 109.643 108.800 0.018 0.000 2.141 180 G HA2 -0.235 3.726 3.960 0.001 0.000 0.231 180 G HA3 -0.235 3.726 3.960 0.001 0.000 0.231 180 G C -0.103 174.657 174.900 -0.234 0.000 0.984 180 G CA -0.643 44.369 45.100 -0.148 0.000 0.660 180 G HN 0.344 nan 8.290 nan 0.000 0.525 181 F N 0.488 120.343 119.950 -0.157 0.000 2.607 181 F HA 0.392 4.920 4.527 0.001 0.000 0.374 181 F C 1.268 176.871 175.800 -0.329 0.000 1.104 181 F CA 0.475 58.359 58.000 -0.194 0.000 1.296 181 F CB 0.675 39.582 39.000 -0.155 0.000 1.085 181 F HN 0.201 nan 8.300 nan 0.000 0.584 182 M N 5.469 124.946 119.600 -0.205 0.000 2.185 182 M HA 0.438 4.919 4.480 0.001 0.000 0.357 182 M C -1.568 174.492 176.300 -0.400 0.000 1.260 182 M CA -0.076 54.963 55.300 -0.435 0.000 1.124 182 M CB 0.340 32.693 32.600 -0.412 0.000 1.600 182 M HN 0.477 nan 8.290 nan 0.000 0.467 183 L N 5.426 126.254 121.223 -0.658 0.000 2.346 183 L HA 0.617 4.958 4.340 0.001 0.000 0.274 183 L C -1.422 175.044 176.870 -0.673 0.000 1.007 183 L CA -0.605 53.963 54.840 -0.454 0.000 0.818 183 L CB 1.843 43.700 42.059 -0.336 0.000 1.284 183 L HN 0.633 nan 8.230 nan 0.000 0.424 184 F N 2.869 122.712 119.950 -0.178 0.000 2.507 184 F HA 0.648 5.175 4.527 0.001 0.000 0.325 184 F C -0.341 175.441 175.800 -0.030 0.000 1.116 184 F CA -0.606 57.359 58.000 -0.058 0.000 0.930 184 F CB 1.839 40.819 39.000 -0.035 0.000 1.146 184 F HN 0.100 nan 8.300 nan 0.000 0.447 185 I N 2.788 123.461 120.570 0.173 0.000 2.545 185 I HA 0.576 4.747 4.170 0.001 0.000 0.292 185 I C -0.927 175.292 176.117 0.169 0.000 1.040 185 I CA -0.669 60.703 61.300 0.120 0.000 1.068 185 I CB 2.018 40.037 38.000 0.032 0.000 1.251 185 I HN 0.642 nan 8.210 nan 0.000 0.424 186 C N 5.176 124.579 119.300 0.170 0.000 2.782 186 C HA 0.663 5.123 4.460 0.001 0.000 0.328 186 C C -0.876 174.233 174.990 0.198 0.000 1.145 186 C CA -0.028 59.112 59.018 0.202 0.000 1.358 186 C CB 0.251 28.101 27.740 0.183 0.000 1.841 186 C HN 1.018 nan 8.230 nan 0.000 0.477 187 D N 2.516 123.054 120.400 0.230 0.000 3.641 187 D HA -0.160 4.480 4.640 0.001 0.000 0.235 187 D C 0.537 176.955 176.300 0.197 0.000 1.648 187 D CA 0.832 54.961 54.000 0.214 0.000 1.149 187 D CB -0.503 40.416 40.800 0.199 0.000 0.742 187 D HN 0.776 nan 8.370 nan 0.000 0.920 188 E N 0.463 120.763 120.200 0.168 0.000 2.338 188 E HA 0.079 4.430 4.350 0.001 0.000 0.197 188 E C 1.925 178.602 176.600 0.129 0.000 1.007 188 E CA 1.321 57.810 56.400 0.148 0.000 0.849 188 E CB -0.236 29.537 29.700 0.122 0.000 0.774 188 E HN 0.456 nan 8.360 nan 0.000 0.506 189 A N 0.544 123.440 122.820 0.128 0.000 1.986 189 A HA -0.224 4.097 4.320 0.001 0.000 0.220 189 A C 2.372 179.997 177.584 0.068 0.000 1.171 189 A CA 1.490 53.587 52.037 0.100 0.000 0.640 189 A CB -0.742 18.323 19.000 0.109 0.000 0.811 189 A HN 0.183 nan 8.150 nan 0.000 0.451 190 V N -0.313 119.655 119.914 0.090 0.000 2.261 190 V HA -0.270 3.851 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 2.492 64.802 62.300 0.017 0.000 1.015 190 V CB -0.819 31.056 31.823 0.087 0.000 0.642 190 V HN 0.610 nan 8.190 nan 0.000 0.446 191 E N -0.393 119.862 120.200 0.092 0.000 2.150 191 E HA -0.187 4.164 4.350 0.001 0.000 0.193 191 E C 2.289 178.913 176.600 0.040 0.000 0.985 191 E CA 0.884 57.338 56.400 0.089 0.000 0.814 191 E CB -0.230 29.563 29.700 0.155 0.000 0.752 191 E HN 0.617 nan 8.360 nan 0.000 0.466 192 Q N 0.033 119.859 119.800 0.043 0.000 2.030 192 Q HA -0.171 4.170 4.340 0.001 0.000 0.204 192 Q C 2.218 178.217 176.000 -0.001 0.000 0.986 192 Q CA 1.262 57.081 55.803 0.027 0.000 0.843 192 Q CB -0.189 28.574 28.738 0.042 0.000 0.904 192 Q HN 0.315 nan 8.270 nan 0.000 0.420 193 L N 0.187 121.398 121.223 -0.020 0.000 2.046 193 L HA -0.212 4.129 4.340 0.001 0.000 0.208 193 L C 2.307 179.131 176.870 -0.075 0.000 1.077 193 L CA 0.920 55.729 54.840 -0.051 0.000 0.747 193 L CB -0.372 41.642 42.059 -0.075 0.000 0.896 193 L HN 0.261 nan 8.230 nan 0.000 0.432 194 L N -0.174 120.993 121.223 -0.093 0.000 2.131 194 L HA -0.199 4.141 4.340 0.001 0.000 0.210 194 L C 2.610 179.450 176.870 -0.051 0.000 1.092 194 L CA 1.411 56.191 54.840 -0.101 0.000 0.759 194 L CB -0.622 41.355 42.059 -0.135 0.000 0.903 194 L HN 0.410 nan 8.230 nan 0.000 0.435 195 E N -0.351 119.836 120.200 -0.022 0.000 2.216 195 E HA -0.167 4.184 4.350 0.001 0.000 0.192 195 E C 1.297 177.885 176.600 -0.019 0.000 0.988 195 E CA 0.621 57.016 56.400 -0.009 0.000 0.834 195 E CB -0.133 29.572 29.700 0.008 0.000 0.772 195 E HN 0.368 nan 8.360 nan 0.000 0.479 196 E N 1.347 121.531 120.200 -0.026 0.000 2.512 196 E HA -0.025 4.326 4.350 0.001 0.000 0.195 196 E C -0.154 176.422 176.600 -0.040 0.000 1.083 196 E CA 0.000 56.383 56.400 -0.028 0.000 0.873 196 E CB -0.347 29.338 29.700 -0.024 0.000 0.897 196 E HN 0.312 nan 8.360 nan 0.000 0.514 197 N N 0.487 119.156 118.700 -0.052 0.000 2.721 197 N HA -0.183 4.558 4.740 0.001 0.000 0.249 197 N C 0.159 175.615 175.510 -0.089 0.000 1.072 197 N CA 0.859 53.867 53.050 -0.070 0.000 0.710 197 N CB -1.849 36.604 38.487 -0.057 0.000 0.993 197 N HN 0.175 nan 8.380 nan 0.000 0.547 198 V N -0.338 119.519 119.914 -0.095 0.000 2.686 198 V HA 0.177 4.298 4.120 0.001 0.000 0.295 198 V C 0.788 176.762 176.094 -0.199 0.000 1.055 198 V CA -0.468 61.767 62.300 -0.109 0.000 1.050 198 V CB 0.949 32.729 31.823 -0.071 0.000 0.984 198 V HN 0.106 nan 8.190 nan 0.000 0.482 199 K N 5.891 126.135 120.400 -0.260 0.000 2.379 199 K HA 0.489 4.810 4.320 0.001 0.000 0.284 199 K C -0.720 175.498 176.600 -0.637 0.000 1.044 199 K CA -0.008 55.927 56.287 -0.586 0.000 0.974 199 K CB 0.543 32.541 32.500 -0.837 0.000 0.962 199 K HN 0.686 nan 8.250 nan 0.000 0.474 200 L N 1.656 122.549 121.223 -0.551 0.000 2.333 200 L HA 0.708 5.049 4.340 0.001 0.000 0.263 200 L C 0.288 177.109 176.870 -0.082 0.000 1.014 200 L CA -0.767 53.897 54.840 -0.294 0.000 0.820 200 L CB 2.183 44.083 42.059 -0.264 0.000 1.352 200 L HN 0.902 nan 8.230 nan 0.000 0.421 201 G N 0.430 109.256 108.800 0.044 0.000 2.354 201 G HA2 -0.048 3.913 3.960 0.001 0.000 0.582 201 G HA3 -0.048 3.913 3.960 0.001 0.000 0.582 201 G C 0.161 175.216 174.900 0.258 0.000 1.316 201 G CA -0.491 44.715 45.100 0.177 0.000 0.995 201 G HN 0.516 nan 8.290 nan 0.000 0.573 202 I N 0.222 120.962 120.570 0.284 0.000 2.151 202 I HA -0.164 4.007 4.170 0.001 0.000 0.243 202 I C 2.149 178.441 176.117 0.291 0.000 1.080 202 I CA 1.903 63.415 61.300 0.353 0.000 1.339 202 I CB -0.163 37.973 38.000 0.225 0.000 1.039 202 I HN 0.485 nan 8.210 nan 0.000 0.409 203 D N -0.298 120.164 120.400 0.104 0.000 2.348 203 D HA -0.131 4.510 4.640 0.001 0.000 0.216 203 D C 1.113 177.180 176.300 -0.389 0.000 0.970 203 D CA 1.199 55.132 54.000 -0.113 0.000 0.889 203 D CB -0.008 40.575 40.800 -0.361 0.000 0.912 203 D HN 0.457 nan 8.370 nan 0.000 0.524 204 Y N -0.206 120.026 120.300 -0.113 0.000 2.584 204 Y HA 0.294 4.844 4.550 0.001 0.000 0.254 204 Y C 0.894 176.471 175.900 -0.539 0.000 1.177 204 Y CA -0.434 57.485 58.100 -0.302 0.000 1.216 204 Y CB -0.229 38.082 38.460 -0.248 0.000 1.172 204 Y HN -0.190 nan 8.280 nan 0.000 0.529 205 I N -0.021 120.202 120.570 -0.579 0.000 6.450 205 I HA -0.331 3.840 4.170 0.001 0.000 0.126 205 I C 0.059 175.488 176.117 -1.146 0.000 1.777 205 I CA 0.813 61.475 61.300 -1.063 0.000 2.236 205 I CB -1.650 35.645 38.000 -1.175 0.000 3.397 205 I HN 0.253 nan 8.210 nan 0.000 0.226 206 A N 1.468 123.749 122.820 -0.899 0.000 2.651 206 A HA 0.716 5.037 4.320 0.001 0.000 0.290 206 A C -0.738 176.582 177.584 -0.440 0.000 1.185 206 A CA -0.345 51.271 52.037 -0.701 0.000 0.746 206 A CB 0.442 19.204 19.000 -0.396 0.000 1.213 206 A HN 0.215 nan 8.150 nan 0.000 0.429 207 Y N 2.270 122.366 120.300 -0.339 0.000 2.518 207 Y HA 0.416 4.967 4.550 0.001 0.000 0.344 207 Y C -2.453 173.387 175.900 -0.101 0.000 0.982 207 Y CA -3.262 54.706 58.100 -0.220 0.000 1.234 207 Y CB 0.582 38.855 38.460 -0.311 0.000 1.114 207 Y HN 0.422 nan 8.280 nan 0.000 0.515 208 P HA 0.156 nan 4.420 nan 0.000 0.274 208 P C 0.507 177.931 177.300 0.208 0.000 1.291 208 P CA 0.065 63.158 63.100 -0.011 0.000 0.815 208 P CB 0.603 32.060 31.700 -0.406 0.000 0.897 209 L N 1.852 123.252 121.223 0.295 0.000 2.217 209 L HA 0.120 4.461 4.340 0.001 0.000 0.211 209 L C 1.522 178.667 176.870 0.459 0.000 1.107 209 L CA 1.290 56.350 54.840 0.365 0.000 0.783 209 L CB -0.748 41.518 42.059 0.345 0.000 0.919 209 L HN 0.624 nan 8.230 nan 0.000 0.442 210 G N -0.411 108.714 108.800 0.542 0.000 2.317 210 G HA2 -0.143 3.817 3.960 0.001 0.000 0.196 210 G HA3 -0.143 3.817 3.960 0.001 0.000 0.196 210 G C -1.162 173.956 174.900 0.363 0.000 1.255 210 G CA -0.423 44.964 45.100 0.477 0.000 1.243 210 G HN 0.302 nan 8.290 nan 0.000 0.535 211 N N -0.859 118.012 118.700 0.286 0.000 2.380 211 N HA 0.715 5.456 4.740 0.001 0.000 0.290 211 N C 0.119 175.829 175.510 0.334 0.000 1.236 211 N CA -0.129 53.091 53.050 0.284 0.000 0.780 211 N CB 2.315 40.950 38.487 0.247 0.000 1.438 211 N HN 1.208 nan 8.380 nan 0.000 0.491 212 F N 0.345 120.372 119.950 0.129 0.000 2.192 212 F HA -0.420 4.108 4.527 0.001 0.000 0.317 212 F C 1.878 177.741 175.800 0.105 0.000 1.454 212 F CA 2.299 60.369 58.000 0.117 0.000 0.932 212 F CB -1.736 37.338 39.000 0.123 0.000 4.108 212 F HN 0.662 nan 8.300 nan 0.000 0.138 213 T N -0.542 113.735 114.554 -0.462 0.000 3.007 213 T HA -0.077 4.273 4.350 0.001 0.000 0.270 213 T C 1.419 176.009 174.700 -0.183 0.000 1.107 213 T CA 1.574 63.415 62.100 -0.433 0.000 1.118 213 T CB -0.358 68.195 68.868 -0.524 0.000 0.889 213 T HN 0.584 nan 8.240 nan 0.000 0.506 214 Q N 0.495 120.303 119.800 0.014 0.000 2.308 214 Q HA 0.029 4.370 4.340 0.001 0.000 0.209 214 Q C 1.983 177.963 176.000 -0.034 0.000 0.985 214 Q CA 0.916 56.783 55.803 0.106 0.000 0.881 214 Q CB -0.770 28.169 28.738 0.336 0.000 0.917 214 Q HN 0.536 nan 8.270 nan 0.000 0.443 215 I N -0.443 120.104 120.570 -0.039 0.000 2.290 215 I HA -0.255 3.916 4.170 0.001 0.000 0.253 215 I C 1.830 177.784 176.117 -0.272 0.000 1.112 215 I CA 1.093 62.342 61.300 -0.085 0.000 1.377 215 I CB -0.295 37.681 38.000 -0.039 0.000 1.060 215 I HN 0.126 nan 8.210 nan 0.000 0.428 216 V N 0.653 120.310 119.914 -0.428 0.000 3.141 216 V HA -0.207 3.914 4.120 0.001 0.000 0.265 216 V C 2.045 177.823 176.094 -0.526 0.000 1.126 216 V CA 1.420 63.378 62.300 -0.570 0.000 1.141 216 V CB -1.088 30.437 31.823 -0.497 0.000 0.743 216 V HN 0.516 nan 8.190 nan 0.000 0.492 217 H N -0.287 118.689 119.070 -0.158 0.000 2.555 217 H HA 0.202 4.759 4.556 0.001 0.000 0.269 217 H C 2.114 177.347 175.328 -0.159 0.000 0.988 217 H CA 0.925 56.893 56.048 -0.133 0.000 1.178 217 H CB -0.203 29.532 29.762 -0.045 0.000 1.373 217 H HN 0.567 nan 8.280 nan 0.000 0.588 218 A N 0.863 123.502 122.820 -0.301 0.000 1.930 218 A HA 0.130 4.451 4.320 0.001 0.000 0.215 218 A C 2.609 179.832 177.584 -0.601 0.000 1.176 218 A CA 1.062 52.551 52.037 -0.913 0.000 0.632 218 A CB -0.392 18.026 19.000 -0.969 0.000 0.819 218 A HN 0.386 nan 8.150 nan 0.000 0.445 219 A N 1.654 124.145 122.820 -0.549 0.000 1.872 219 A HA -0.153 4.168 4.320 0.001 0.000 0.214 219 A C 1.822 179.232 177.584 -0.289 0.000 1.187 219 A CA 1.865 53.541 52.037 -0.603 0.000 0.614 219 A CB -0.814 17.193 19.000 -1.656 0.000 0.826 219 A HN 0.723 nan 8.150 nan 0.000 0.442 220 N N -1.410 117.143 118.700 -0.244 0.000 2.289 220 N HA -0.217 4.524 4.740 0.001 0.000 0.184 220 N C 1.442 176.906 175.510 -0.075 0.000 1.016 220 N CA 1.884 54.868 53.050 -0.111 0.000 0.872 220 N CB -0.710 37.773 38.487 -0.006 0.000 0.973 220 N HN 0.533 nan 8.380 nan 0.000 0.433 221 Y N 0.999 121.176 120.300 -0.205 0.000 2.109 221 Y HA 0.080 4.631 4.550 0.001 0.000 0.285 221 Y C 2.597 178.473 175.900 -0.040 0.000 1.131 221 Y CA 1.593 59.613 58.100 -0.134 0.000 1.121 221 Y CB -0.982 37.481 38.460 0.006 0.000 0.987 221 Y HN 0.140 nan 8.280 nan 0.000 0.495 222 A N 0.818 123.864 122.820 0.376 0.000 1.870 222 A HA -0.282 4.039 4.320 0.001 0.000 0.219 222 A C 2.328 180.051 177.584 0.231 0.000 1.224 222 A CA 2.578 54.823 52.037 0.346 0.000 0.650 222 A CB -1.504 17.702 19.000 0.344 0.000 0.836 222 A HN 0.573 nan 8.150 nan 0.000 0.454 223 L N -1.539 119.741 121.223 0.095 0.000 2.261 223 L HA -0.180 4.160 4.340 0.001 0.000 0.216 223 L C 2.775 179.539 176.870 -0.178 0.000 1.114 223 L CA 1.295 56.108 54.840 -0.045 0.000 0.777 223 L CB -0.457 41.480 42.059 -0.203 0.000 0.910 223 L HN 0.381 nan 8.230 nan 0.000 0.440 224 R N -0.147 120.217 120.500 -0.226 0.000 2.148 224 R HA -0.082 4.259 4.340 0.001 0.000 0.227 224 R C 2.497 178.514 176.300 -0.472 0.000 1.103 224 R CA 1.012 56.822 56.100 -0.485 0.000 0.983 224 R CB -0.336 29.652 30.300 -0.520 0.000 0.874 224 R HN 0.348 nan 8.270 nan 0.000 0.451 225 A N 0.494 123.210 122.820 -0.174 0.000 1.917 225 A HA -0.145 4.176 4.320 0.001 0.000 0.219 225 A C 2.268 179.783 177.584 -0.116 0.000 1.182 225 A CA 1.965 53.999 52.037 -0.004 0.000 0.633 225 A CB -1.012 18.301 19.000 0.521 0.000 0.819 225 A HN 0.483 nan 8.150 nan 0.000 0.448 226 G N -1.407 107.214 108.800 -0.298 0.000 2.464 226 G HA2 -0.014 3.946 3.960 0.001 0.000 0.217 226 G HA3 -0.014 3.946 3.960 0.001 0.000 0.217 226 G C 1.584 176.144 174.900 -0.566 0.000 1.138 226 G CA 0.852 45.412 45.100 -0.900 0.000 0.793 226 G HN 0.471 nan 8.290 nan 0.000 0.539 227 M N -0.215 119.116 119.600 -0.449 0.000 2.236 227 M HA 0.180 4.661 4.480 0.001 0.000 0.266 227 M C 2.500 178.581 176.300 -0.364 0.000 1.070 227 M CA 0.903 55.974 55.300 -0.383 0.000 1.137 227 M CB -0.212 32.101 32.600 -0.479 0.000 1.378 227 M HN 0.194 nan 8.290 nan 0.000 0.426 228 M N -0.271 118.996 119.600 -0.555 0.000 2.214 228 M HA -0.070 4.411 4.480 0.001 0.000 0.257 228 M C 1.982 178.106 176.300 -0.294 0.000 1.125 228 M CA 1.671 56.673 55.300 -0.496 0.000 1.099 228 M CB -0.620 31.427 32.600 -0.922 0.000 1.209 228 M HN 0.037 nan 8.290 nan 0.000 0.448 229 F N 0.507 120.445 119.950 -0.021 0.000 2.075 229 F HA -0.034 4.494 4.527 0.001 0.000 0.297 229 F C 2.624 178.482 175.800 0.097 0.000 1.113 229 F CA 1.391 59.438 58.000 0.078 0.000 1.218 229 F CB -1.910 37.224 39.000 0.222 0.000 0.984 229 F HN 0.281 nan 8.300 nan 0.000 0.472 230 G N -1.112 107.783 108.800 0.158 0.000 2.509 230 G HA2 0.161 4.122 3.960 0.001 0.000 0.218 230 G HA3 0.161 4.122 3.960 0.001 0.000 0.218 230 G C 1.708 176.590 174.900 -0.031 0.000 1.124 230 G CA 0.727 45.824 45.100 -0.005 0.000 0.776 230 G HN 0.792 nan 8.290 nan 0.000 0.547 231 G N -1.206 107.561 108.800 -0.056 0.000 2.166 231 G HA2 -0.262 3.699 3.960 0.001 0.000 0.260 231 G HA3 -0.262 3.699 3.960 0.001 0.000 0.260 231 G C 0.348 175.224 174.900 -0.039 0.000 0.986 231 G CA 0.293 45.386 45.100 -0.012 0.000 0.683 231 G HN 0.759 nan 8.290 nan 0.000 0.527 232 V N 1.624 121.466 119.914 -0.119 0.000 2.572 232 V HA 0.312 4.433 4.120 0.001 0.000 0.291 232 V C 1.365 177.435 176.094 -0.039 0.000 1.039 232 V CA 0.479 62.730 62.300 -0.081 0.000 1.055 232 V CB 1.083 32.817 31.823 -0.148 0.000 0.969 232 V HN 0.358 nan 8.190 nan 0.000 0.482 233 T N 8.708 123.262 114.554 0.001 0.000 2.871 233 T HA 0.085 4.436 4.350 0.001 0.000 0.296 233 T C -2.247 172.470 174.700 0.028 0.000 0.998 233 T CA -0.374 61.738 62.100 0.019 0.000 1.162 233 T CB 0.287 69.170 68.868 0.025 0.000 0.947 233 T HN 0.519 nan 8.240 nan 0.000 0.536 234 P HA 0.098 nan 4.420 nan 0.000 0.260 234 P C 1.097 178.435 177.300 0.063 0.000 1.172 234 P CA 1.081 64.215 63.100 0.057 0.000 0.760 234 P CB 0.079 31.822 31.700 0.072 0.000 0.773 235 G N 2.950 111.807 108.800 0.095 0.000 2.241 235 G HA2 -0.275 3.686 3.960 0.001 0.000 0.244 235 G HA3 -0.275 3.686 3.960 0.001 0.000 0.244 235 G C 0.504 175.464 174.900 0.099 0.000 0.998 235 G CA -0.007 45.159 45.100 0.110 0.000 0.621 235 G HN 0.833 nan 8.290 nan 0.000 0.519 236 A N 0.899 123.766 122.820 0.079 0.000 2.899 236 A HA 0.632 4.953 4.320 0.001 0.000 0.287 236 A C 1.413 179.042 177.584 0.075 0.000 1.715 236 A CA 1.239 53.312 52.037 0.060 0.000 1.393 236 A CB -0.303 18.723 19.000 0.044 0.000 1.070 236 A HN 0.581 nan 8.150 nan 0.000 0.587 237 R N 0.874 121.415 120.500 0.069 0.000 2.080 237 R HA -0.149 4.191 4.340 0.001 0.000 0.236 237 R C 1.504 177.759 176.300 -0.074 0.000 1.137 237 R CA 1.932 58.069 56.100 0.060 0.000 0.943 237 R CB -0.011 30.283 30.300 -0.010 0.000 0.846 237 R HN 0.726 nan 8.270 nan 0.000 0.431 238 E N 0.698 120.834 120.200 -0.107 0.000 2.085 238 E HA -0.213 4.138 4.350 0.001 0.000 0.194 238 E C 1.893 178.431 176.600 -0.103 0.000 0.994 238 E CA 1.475 57.775 56.400 -0.167 0.000 0.801 238 E CB -0.217 29.437 29.700 -0.077 0.000 0.743 238 E HN 0.555 nan 8.360 nan 0.000 0.453 239 E N 0.751 120.947 120.200 -0.006 0.000 2.051 239 E HA -0.173 4.178 4.350 0.001 0.000 0.192 239 E C 2.172 178.821 176.600 0.083 0.000 0.991 239 E CA 0.762 57.192 56.400 0.049 0.000 0.799 239 E CB -0.050 29.685 29.700 0.059 0.000 0.748 239 E HN 0.207 nan 8.360 nan 0.000 0.449 240 Q N 0.643 120.495 119.800 0.087 0.000 2.061 240 Q HA -0.161 4.179 4.340 0.001 0.000 0.204 240 Q C 2.160 178.262 176.000 0.170 0.000 0.984 240 Q CA 1.361 57.255 55.803 0.152 0.000 0.846 240 Q CB -0.350 28.538 28.738 0.250 0.000 0.902 240 Q HN 0.246 nan 8.270 nan 0.000 0.421 241 R N 0.465 120.942 120.500 -0.038 0.000 2.092 241 R HA -0.131 4.210 4.340 0.001 0.000 0.231 241 R C 1.968 178.135 176.300 -0.220 0.000 1.119 241 R CA 1.354 57.239 56.100 -0.359 0.000 0.970 241 R CB -0.189 29.385 30.300 -1.209 0.000 0.864 241 R HN 0.314 nan 8.270 nan 0.000 0.440 242 D N -0.382 119.977 120.400 -0.068 0.000 2.117 242 D HA -0.228 4.413 4.640 0.001 0.000 0.197 242 D C 1.683 178.130 176.300 0.245 0.000 0.987 242 D CA 1.006 55.138 54.000 0.219 0.000 0.829 242 D CB -0.043 40.870 40.800 0.188 0.000 0.961 242 D HN 0.228 nan 8.370 nan 0.000 0.460 243 Y N 0.562 120.928 120.300 0.110 0.000 2.200 243 Y HA -0.178 4.373 4.550 0.001 0.000 0.290 243 Y C 2.232 178.249 175.900 0.195 0.000 1.137 243 Y CA 1.419 59.595 58.100 0.127 0.000 1.163 243 Y CB -0.139 38.389 38.460 0.112 0.000 0.988 243 Y HN -0.025 nan 8.280 nan 0.000 0.518 244 Q N 0.299 120.366 119.800 0.444 0.000 2.030 244 Q HA -0.248 4.093 4.340 0.001 0.000 0.204 244 Q C 2.377 178.638 176.000 0.436 0.000 0.986 244 Q CA 2.080 58.167 55.803 0.474 0.000 0.843 244 Q CB -0.673 28.283 28.738 0.364 0.000 0.904 244 Q HN 0.403 nan 8.270 nan 0.000 0.420 245 R N 0.954 121.670 120.500 0.360 0.000 2.120 245 R HA -0.043 4.298 4.340 0.001 0.000 0.234 245 R C 1.999 178.432 176.300 0.221 0.000 1.123 245 R CA 1.464 57.777 56.100 0.355 0.000 0.975 245 R CB -0.206 30.327 30.300 0.389 0.000 0.866 245 R HN 0.119 nan 8.270 nan 0.000 0.446 246 R N -0.793 119.780 120.500 0.122 0.000 2.093 246 R HA 0.134 4.475 4.340 0.001 0.000 0.224 246 R C 1.884 178.165 176.300 -0.032 0.000 1.101 246 R CA 1.523 57.627 56.100 0.008 0.000 0.979 246 R CB 0.090 30.353 30.300 -0.061 0.000 0.877 246 R HN 0.168 nan 8.270 nan 0.000 0.441 247 R N -0.893 119.565 120.500 -0.070 0.000 2.342 247 R HA 0.231 4.572 4.340 0.001 0.000 0.204 247 R C -0.169 176.321 176.300 0.318 0.000 0.882 247 R CA -0.048 56.005 56.100 -0.079 0.000 1.041 247 R CB 0.891 30.726 30.300 -0.776 0.000 1.188 247 R HN -0.045 nan 8.270 nan 0.000 0.598 248 I N 2.274 123.064 120.570 0.367 0.000 2.269 248 I HA 0.188 4.359 4.170 0.001 0.000 0.293 248 I C -0.040 176.243 176.117 0.276 0.000 1.106 248 I CA -0.263 61.290 61.300 0.421 0.000 1.248 248 I CB 0.924 39.246 38.000 0.536 0.000 1.444 248 I HN -0.103 nan 8.210 nan 0.000 0.497 249 R N 4.423 125.069 120.500 0.242 0.000 4.138 249 R HA 0.399 4.740 4.340 0.001 0.000 0.206 249 R C 0.175 176.469 176.300 -0.011 0.000 1.667 249 R CA -0.018 56.174 56.100 0.153 0.000 1.481 249 R CB 0.025 30.425 30.300 0.166 0.000 1.388 249 R HN 0.684 nan 8.270 nan 0.000 0.776 250 A N 1.673 124.320 122.820 -0.288 0.000 2.312 250 A HA 0.677 4.998 4.320 0.001 0.000 0.326 250 A C -0.615 176.793 177.584 -0.294 0.000 1.172 250 A CA -0.593 51.083 52.037 -0.601 0.000 0.821 250 A CB 0.406 18.643 19.000 -1.272 0.000 1.166 250 A HN 0.450 nan 8.150 nan 0.000 0.493 251 F N -0.004 119.906 119.950 -0.067 0.000 2.603 251 F HA 0.760 5.287 4.527 0.001 0.000 0.317 251 F C -0.954 174.870 175.800 0.040 0.000 1.066 251 F CA -1.714 56.308 58.000 0.036 0.000 0.941 251 F CB 1.023 40.039 39.000 0.026 0.000 1.291 251 F HN 0.261 nan 8.300 nan 0.000 0.472 252 V N 3.151 123.294 119.914 0.381 0.000 2.398 252 V HA 0.383 4.504 4.120 0.001 0.000 0.286 252 V C -0.196 176.040 176.094 0.238 0.000 1.026 252 V CA -0.764 61.692 62.300 0.260 0.000 0.868 252 V CB 1.539 33.507 31.823 0.241 0.000 0.982 252 V HN 0.694 nan 8.190 nan 0.000 0.443 253 L N 5.469 126.815 121.223 0.204 0.000 2.268 253 L HA 0.380 4.721 4.340 0.001 0.000 0.289 253 L C -0.817 176.148 176.870 0.158 0.000 1.064 253 L CA -0.512 54.392 54.840 0.106 0.000 0.824 253 L CB 0.434 42.536 42.059 0.072 0.000 1.202 253 L HN 0.578 nan 8.230 nan 0.000 0.433 254 Y N 5.658 125.945 120.300 -0.022 0.000 2.454 254 Y HA 0.477 5.027 4.550 0.001 0.000 0.345 254 Y C -0.553 175.380 175.900 0.055 0.000 0.970 254 Y CA -1.208 56.905 58.100 0.021 0.000 1.204 254 Y CB 0.559 38.992 38.460 -0.044 0.000 1.122 254 Y HN 0.374 nan 8.280 nan 0.000 0.514 255 L N 5.422 126.848 121.223 0.339 0.000 2.334 255 L HA 0.742 5.083 4.340 0.001 0.000 0.276 255 L C 0.815 177.826 176.870 0.235 0.000 1.014 255 L CA -0.665 54.307 54.840 0.220 0.000 0.815 255 L CB 1.453 43.633 42.059 0.200 0.000 1.268 255 L HN 0.840 nan 8.230 nan 0.000 0.428 256 G N 1.782 110.682 108.800 0.167 0.000 2.752 256 G HA2 -0.280 3.681 3.960 0.001 0.000 0.234 256 G HA3 -0.280 3.681 3.960 0.001 0.000 0.234 256 G C -0.203 174.780 174.900 0.140 0.000 1.367 256 G CA -0.188 44.993 45.100 0.135 0.000 0.879 256 G HN 0.901 nan 8.290 nan 0.000 0.563 257 E N 0.327 120.596 120.200 0.115 0.000 2.765 257 E HA 0.027 4.378 4.350 0.001 0.000 0.256 257 E C 0.838 177.593 176.600 0.258 0.000 0.935 257 E CA 0.321 56.789 56.400 0.114 0.000 0.954 257 E CB -0.054 29.706 29.700 0.100 0.000 0.908 257 E HN 0.511 nan 8.360 nan 0.000 0.500 258 H N 3.297 122.392 119.070 0.043 0.000 2.771 258 H HA 0.123 4.680 4.556 0.001 0.000 0.364 258 H C -0.330 175.130 175.328 0.222 0.000 1.133 258 H CA -0.011 56.129 56.048 0.154 0.000 1.423 258 H CB 0.744 30.561 29.762 0.092 0.000 1.425 258 H HN 0.605 nan 8.280 nan 0.000 0.606 259 D N 0.207 120.856 120.400 0.415 0.000 2.596 259 D HA 0.096 4.737 4.640 0.001 0.000 0.234 259 D C 1.018 177.484 176.300 0.275 0.000 1.181 259 D CA -0.884 53.284 54.000 0.280 0.000 0.856 259 D CB 0.985 41.907 40.800 0.203 0.000 1.498 259 D HN 0.553 nan 8.370 nan 0.000 0.446 260 M N 0.078 119.803 119.600 0.208 0.000 2.106 260 M HA -0.143 4.338 4.480 0.001 0.000 0.259 260 M C 1.046 177.452 176.300 0.176 0.000 1.068 260 M CA 1.436 56.844 55.300 0.179 0.000 1.100 260 M CB -0.711 31.982 32.600 0.154 0.000 1.351 260 M HN 0.266 nan 8.290 nan 0.000 0.404 261 V N 0.758 120.786 119.914 0.190 0.000 2.307 261 V HA -0.214 3.907 4.120 0.001 0.000 0.245 261 V C 2.642 178.858 176.094 0.203 0.000 1.045 261 V CA 2.150 64.576 62.300 0.210 0.000 1.024 261 V CB -0.854 31.145 31.823 0.293 0.000 0.651 261 V HN 0.503 nan 8.190 nan 0.000 0.449 262 K N -0.331 120.193 120.400 0.207 0.000 2.063 262 K HA -0.197 4.124 4.320 0.001 0.000 0.208 262 K C 2.240 178.862 176.600 0.037 0.000 1.048 262 K CA 2.053 58.397 56.287 0.094 0.000 0.928 262 K CB -0.336 32.234 32.500 0.117 0.000 0.713 262 K HN 0.491 nan 8.250 nan 0.000 0.442 263 T N 0.436 115.115 114.554 0.209 0.000 2.777 263 T HA -0.120 4.231 4.350 0.001 0.000 0.266 263 T C 1.807 176.664 174.700 0.261 0.000 1.040 263 T CA 1.223 63.499 62.100 0.293 0.000 1.141 263 T CB -0.233 68.817 68.868 0.303 0.000 0.868 263 T HN 0.351 nan 8.240 nan 0.000 0.444 264 A N 1.511 124.437 122.820 0.177 0.000 1.908 264 A HA 0.075 4.396 4.320 0.001 0.000 0.218 264 A C 2.626 180.362 177.584 0.253 0.000 1.181 264 A CA 1.949 54.082 52.037 0.160 0.000 0.627 264 A CB -1.094 17.970 19.000 0.108 0.000 0.818 264 A HN 0.513 nan 8.150 nan 0.000 0.445 265 A N -0.270 122.705 122.820 0.258 0.000 1.898 265 A HA 0.203 4.524 4.320 0.001 0.000 0.216 265 A C 2.484 180.326 177.584 0.430 0.000 1.181 265 A CA 1.926 54.185 52.037 0.371 0.000 0.620 265 A CB -0.987 18.171 19.000 0.264 0.000 0.819 265 A HN 1.106 nan 8.150 nan 0.000 0.442 266 A N -1.452 121.546 122.820 0.298 0.000 1.972 266 A HA -0.032 4.289 4.320 0.001 0.000 0.219 266 A C 1.820 179.599 177.584 0.326 0.000 1.169 266 A CA 1.405 53.632 52.037 0.317 0.000 0.635 266 A CB -0.705 18.458 19.000 0.271 0.000 0.810 266 A HN 0.453 nan 8.150 nan 0.000 0.446 267 F N 0.268 120.308 119.950 0.150 0.000 2.502 267 F HA 0.072 4.600 4.527 0.001 0.000 0.298 267 F C 2.412 178.175 175.800 -0.062 0.000 1.111 267 F CA 0.559 58.611 58.000 0.086 0.000 1.445 267 F CB -0.511 38.510 39.000 0.034 0.000 1.081 267 F HN 0.278 nan 8.300 nan 0.000 0.558 268 G N -0.587 108.169 108.800 -0.073 0.000 2.422 268 G HA2 -0.137 3.824 3.960 0.001 0.000 0.218 268 G HA3 -0.137 3.824 3.960 0.001 0.000 0.218 268 G C 1.903 176.246 174.900 -0.929 0.000 1.140 268 G CA 0.747 45.338 45.100 -0.848 0.000 0.775 268 G HN 0.414 nan 8.290 nan 0.000 0.545 269 A N 0.977 123.710 122.820 -0.146 0.000 1.855 269 A HA 0.079 4.399 4.320 0.001 0.000 0.215 269 A C 2.361 180.003 177.584 0.095 0.000 1.191 269 A CA 1.197 53.358 52.037 0.207 0.000 0.613 269 A CB -0.388 18.951 19.000 0.566 0.000 0.829 269 A HN 0.331 nan 8.150 nan 0.000 0.442 270 I N -1.532 119.107 120.570 0.114 0.000 2.151 270 I HA -0.298 3.873 4.170 0.001 0.000 0.243 270 I C 2.340 178.446 176.117 -0.019 0.000 1.080 270 I CA 1.900 63.268 61.300 0.113 0.000 1.339 270 I CB -0.438 37.506 38.000 -0.094 0.000 1.039 270 I HN 0.470 nan 8.210 nan 0.000 0.409 271 F N 1.501 121.281 119.950 -0.282 0.000 2.184 271 F HA -0.319 4.209 4.527 0.002 0.000 0.301 271 F C 2.119 177.810 175.800 -0.182 0.000 1.076 271 F CA 2.048 59.856 58.000 -0.320 0.000 1.295 271 F CB -0.257 38.483 39.000 -0.432 0.000 1.026 271 F HN -0.009 nan 8.300 nan 0.000 0.494 272 T N -0.769 113.634 114.554 -0.251 0.000 3.069 272 T HA 0.334 4.685 4.350 0.001 0.000 0.252 272 T C 1.185 175.770 174.700 -0.190 0.000 1.053 272 T CA 0.576 62.468 62.100 -0.346 0.000 0.964 272 T CB 0.205 68.848 68.868 -0.375 0.000 1.005 272 T HN 0.514 nan 8.240 nan 0.000 0.532 273 G N 1.548 110.388 108.800 0.067 0.000 2.154 273 G HA2 -0.148 3.813 3.960 0.001 0.000 0.186 273 G HA3 -0.148 3.813 3.960 0.001 0.000 0.186 273 G C -0.317 174.946 174.900 0.606 0.000 1.000 273 G CA -0.841 44.468 45.100 0.350 0.000 0.664 273 G HN 0.369 nan 8.290 nan 0.000 0.513 274 F N 1.975 122.259 119.950 0.557 0.000 2.427 274 F HA 0.583 5.111 4.527 0.001 0.000 0.346 274 F C -1.470 174.665 175.800 0.558 0.000 1.120 274 F CA -3.636 54.657 58.000 0.489 0.000 1.033 274 F CB 1.597 40.825 39.000 0.380 0.000 1.126 274 F HN -0.110 nan 8.300 nan 0.000 0.462 275 P HA 0.346 nan 4.420 nan 0.000 0.278 275 P C -1.002 176.496 177.300 0.330 0.000 1.258 275 P CA -0.355 63.012 63.100 0.444 0.000 0.811 275 P CB 2.134 33.902 31.700 0.114 0.000 1.063 276 V N 2.573 122.611 119.914 0.207 0.000 2.444 276 V HA 0.319 4.440 4.120 0.001 0.000 0.294 276 V C 0.103 175.986 176.094 -0.351 0.000 1.022 276 V CA -0.416 61.920 62.300 0.060 0.000 0.850 276 V CB 1.221 33.194 31.823 0.250 0.000 0.992 276 V HN 0.341 nan 8.190 nan 0.000 0.426 277 I N 3.951 124.286 120.570 -0.392 0.000 2.389 277 I HA 0.524 4.695 4.170 0.001 0.000 0.288 277 I C 0.258 176.147 176.117 -0.380 0.000 0.999 277 I CA 0.228 61.133 61.300 -0.658 0.000 1.129 277 I CB 2.074 39.705 38.000 -0.614 0.000 1.288 277 I HN 0.631 nan 8.210 nan 0.000 0.444 278 T N 2.669 116.979 114.554 -0.407 0.000 2.918 278 T HA 0.284 4.634 4.350 0.001 0.000 0.286 278 T C 0.551 175.132 174.700 -0.199 0.000 1.026 278 T CA -0.623 61.339 62.100 -0.230 0.000 1.031 278 T CB 0.941 69.670 68.868 -0.231 0.000 1.046 278 T HN 0.703 nan 8.240 nan 0.000 0.479 279 D N 2.221 122.546 120.400 -0.126 0.000 2.328 279 D HA 0.034 4.675 4.640 0.001 0.000 0.226 279 D C 0.237 176.507 176.300 -0.050 0.000 1.066 279 D CA 0.119 54.069 54.000 -0.083 0.000 0.861 279 D CB 0.187 40.990 40.800 0.005 0.000 0.912 279 D HN 0.258 nan 8.370 nan 0.000 0.521 280 Q N 1.545 121.275 119.800 -0.116 0.000 2.259 280 Q HA 0.333 4.674 4.340 0.001 0.000 0.249 280 Q C -2.302 173.618 176.000 -0.134 0.000 0.914 280 Q CA -2.311 53.387 55.803 -0.174 0.000 0.904 280 Q CB 1.205 29.674 28.738 -0.448 0.000 1.213 280 Q HN 0.181 nan 8.270 nan 0.000 0.428 281 P HA 0.137 nan 4.420 nan 0.000 0.271 281 P C -0.667 176.593 177.300 -0.066 0.000 1.216 281 P CA 0.134 63.199 63.100 -0.058 0.000 0.771 281 P CB 0.584 32.260 31.700 -0.040 0.000 0.864 282 L N 5.265 126.476 121.223 -0.020 0.000 2.341 282 L HA 0.465 4.805 4.340 0.001 0.000 0.278 282 L C -1.868 175.016 176.870 0.024 0.000 1.005 282 L CA -2.342 52.507 54.840 0.014 0.000 0.818 282 L CB 1.509 43.618 42.059 0.083 0.000 1.259 282 L HN 0.231 nan 8.230 nan 0.000 0.418 283 P HA 0.051 nan 4.420 nan 0.000 0.270 283 P C 0.225 177.537 177.300 0.020 0.000 1.227 283 P CA -0.250 62.858 63.100 0.012 0.000 0.788 283 P CB 0.624 32.327 31.700 0.006 0.000 0.926 284 E N 0.354 120.559 120.200 0.008 0.000 2.267 284 E HA -0.176 4.175 4.350 0.001 0.000 0.197 284 E C 0.517 177.109 176.600 -0.013 0.000 0.998 284 E CA 1.218 57.621 56.400 0.004 0.000 0.830 284 E CB -0.206 29.491 29.700 -0.004 0.000 0.751 284 E HN 0.561 nan 8.360 nan 0.000 0.491 285 D N -0.206 120.178 120.400 -0.027 0.000 2.463 285 D HA 0.018 4.659 4.640 0.001 0.000 0.224 285 D C 0.443 176.689 176.300 -0.090 0.000 1.174 285 D CA -0.033 53.923 54.000 -0.074 0.000 0.829 285 D CB 0.252 41.006 40.800 -0.077 0.000 0.993 285 D HN -0.081 nan 8.370 nan 0.000 0.497 286 K N 0.640 121.033 120.400 -0.012 0.000 2.860 286 K HA 0.139 4.460 4.320 0.001 0.000 0.204 286 K C -0.442 176.285 176.600 0.212 0.000 1.127 286 K CA -0.192 56.126 56.287 0.051 0.000 1.050 286 K CB 1.100 33.665 32.500 0.108 0.000 0.745 286 K HN 0.248 nan 8.250 nan 0.000 0.459 287 Q N -0.271 119.621 119.800 0.153 0.000 2.379 287 Q HA 0.558 4.899 4.340 0.001 0.000 0.278 287 Q C -0.771 175.346 176.000 0.195 0.000 1.068 287 Q CA -0.601 55.377 55.803 0.291 0.000 0.816 287 Q CB 1.602 30.483 28.738 0.239 0.000 1.387 287 Q HN 0.063 nan 8.270 nan 0.000 0.413 288 I N 2.238 122.999 120.570 0.317 0.000 2.382 288 I HA 0.420 4.590 4.170 0.001 0.000 0.285 288 I C -2.276 174.022 176.117 0.302 0.000 1.007 288 I CA -2.513 58.923 61.300 0.227 0.000 1.142 288 I CB 1.787 39.854 38.000 0.111 0.000 1.289 288 I HN 0.454 nan 8.210 nan 0.000 0.453 289 P HA -0.045 nan 4.420 nan 0.000 0.267 289 P C 0.047 177.306 177.300 -0.069 0.000 1.195 289 P CA 0.455 63.510 63.100 -0.075 0.000 0.773 289 P CB 0.329 31.977 31.700 -0.087 0.000 0.837 290 D N -0.886 119.233 120.400 -0.469 0.000 2.979 290 D HA -0.236 4.405 4.640 0.001 0.000 0.208 290 D C 0.527 176.661 176.300 -0.277 0.000 1.122 290 D CA 1.867 55.628 54.000 -0.400 0.000 0.992 290 D CB -1.268 39.223 40.800 -0.514 0.000 1.117 290 D HN 0.576 nan 8.370 nan 0.000 0.397 291 W N -0.887 120.715 121.300 0.503 0.000 3.520 291 W HA 0.373 5.034 4.660 0.001 0.000 0.223 291 W C 0.416 177.184 176.519 0.416 0.000 1.110 291 W CA -0.447 57.165 57.345 0.444 0.000 1.552 291 W CB 0.625 30.346 29.460 0.435 0.000 0.775 291 W HN -0.049 nan 8.180 nan 0.000 0.794 292 F N 2.334 122.570 119.950 0.477 0.000 3.228 292 F HA 0.357 4.885 4.527 0.001 0.000 0.385 292 F C -1.090 174.901 175.800 0.318 0.000 1.247 292 F CA -1.670 56.494 58.000 0.272 0.000 1.211 292 F CB 0.109 39.253 39.000 0.241 0.000 1.719 292 F HN -0.152 nan 8.300 nan 0.000 0.630 293 F N 1.476 121.334 119.950 -0.154 0.000 2.745 293 F HA 0.744 5.272 4.527 0.002 0.000 0.316 293 F C -1.195 174.511 175.800 -0.157 0.000 1.155 293 F CA -1.445 56.504 58.000 -0.085 0.000 0.937 293 F CB 1.006 39.993 39.000 -0.023 0.000 1.361 293 F HN 0.086 nan 8.300 nan 0.000 0.472 294 S N 0.737 116.508 115.700 0.118 0.000 2.489 294 S HA 0.792 5.262 4.470 0.001 0.000 0.291 294 S C -1.475 173.149 174.600 0.040 0.000 1.151 294 S CA -0.409 57.775 58.200 -0.026 0.000 1.082 294 S CB 1.183 64.388 63.200 0.008 0.000 1.019 294 S HN 0.718 nan 8.310 nan 0.000 0.492 295 V N 5.644 125.509 119.914 -0.080 0.000 2.419 295 V HA 0.370 4.491 4.120 0.001 0.000 0.287 295 V C 0.465 176.513 176.094 -0.077 0.000 1.017 295 V CA -0.506 61.762 62.300 -0.054 0.000 0.844 295 V CB 1.305 33.068 31.823 -0.100 0.000 1.011 295 V HN 1.026 nan 8.190 nan 0.000 0.429 296 E N 1.354 121.543 120.200 -0.018 0.000 2.318 296 E HA -0.014 4.337 4.350 0.001 0.000 0.193 296 E C 0.336 176.989 176.600 0.089 0.000 0.998 296 E CA 0.134 56.550 56.400 0.028 0.000 0.859 296 E CB 0.419 30.139 29.700 0.033 0.000 0.812 296 E HN 0.706 nan 8.360 nan 0.000 0.492 297 D N -0.337 120.091 120.400 0.047 0.000 2.336 297 D HA -0.032 4.609 4.640 0.001 0.000 0.249 297 D C 0.214 176.567 176.300 0.088 0.000 1.213 297 D CA -0.106 53.941 54.000 0.079 0.000 0.870 297 D CB 0.384 41.204 40.800 0.034 0.000 1.076 297 D HN -0.040 nan 8.370 nan 0.000 0.483 298 Y N 1.851 122.133 120.300 -0.029 0.000 2.384 298 Y HA -0.141 4.410 4.550 0.002 0.000 0.289 298 Y C 1.729 177.608 175.900 -0.035 0.000 1.152 298 Y CA 0.979 59.059 58.100 -0.032 0.000 1.258 298 Y CB 0.110 38.555 38.460 -0.024 0.000 0.979 298 Y HN 0.481 nan 8.280 nan 0.000 0.549 299 D N -0.780 119.675 120.400 0.093 0.000 2.355 299 D HA -0.042 4.599 4.640 0.001 0.000 0.218 299 D C 1.391 177.688 176.300 -0.006 0.000 1.004 299 D CA 0.786 54.810 54.000 0.040 0.000 0.880 299 D CB 0.108 40.928 40.800 0.034 0.000 0.911 299 D HN 0.392 nan 8.370 nan 0.000 0.528 300 K N -0.418 119.963 120.400 -0.031 0.000 2.402 300 K HA 0.243 4.564 4.320 0.001 0.000 0.203 300 K C 1.829 178.364 176.600 -0.110 0.000 1.077 300 K CA -0.173 56.081 56.287 -0.056 0.000 1.051 300 K CB 1.223 33.701 32.500 -0.037 0.000 0.907 300 K HN 0.029 nan 8.250 nan 0.000 0.554 301 I N 0.930 121.403 120.570 -0.162 0.000 2.179 301 I HA -0.277 3.893 4.170 0.001 0.000 0.242 301 I C 2.106 178.050 176.117 -0.289 0.000 1.088 301 I CA 1.231 62.380 61.300 -0.252 0.000 1.357 301 I CB -0.056 37.732 38.000 -0.353 0.000 1.051 301 I HN -0.109 nan 8.210 nan 0.000 0.409 302 V N 0.149 119.919 119.914 -0.240 0.000 2.270 302 V HA -0.318 3.803 4.120 0.001 0.000 0.245 302 V C 2.418 178.362 176.094 -0.250 0.000 1.043 302 V CA 1.852 63.990 62.300 -0.270 0.000 1.014 302 V CB -0.719 31.000 31.823 -0.174 0.000 0.645 302 V HN 0.479 nan 8.190 nan 0.000 0.447 303 Q N -0.418 119.292 119.800 -0.150 0.000 2.062 303 Q HA -0.256 4.085 4.340 0.001 0.000 0.209 303 Q C 2.232 178.157 176.000 -0.124 0.000 0.996 303 Q CA 2.416 58.157 55.803 -0.102 0.000 0.859 303 Q CB -0.213 28.486 28.738 -0.066 0.000 0.920 303 Q HN 0.639 nan 8.270 nan 0.000 0.415 304 I N 0.030 120.516 120.570 -0.140 0.000 2.353 304 I HA -0.222 3.949 4.170 0.001 0.000 0.248 304 I C 2.431 178.447 176.117 -0.169 0.000 1.119 304 I CA 0.695 61.933 61.300 -0.103 0.000 1.417 304 I CB -0.446 37.536 38.000 -0.029 0.000 1.078 304 I HN 0.215 nan 8.210 nan 0.000 0.421 305 A N 1.137 123.720 122.820 -0.394 0.000 1.865 305 A HA -0.254 4.067 4.320 0.001 0.000 0.217 305 A C 2.367 179.639 177.584 -0.520 0.000 1.191 305 A CA 1.846 53.438 52.037 -0.741 0.000 0.623 305 A CB -0.653 17.373 19.000 -1.624 0.000 0.826 305 A HN 0.318 nan 8.150 nan 0.000 0.444 306 M N -1.269 118.120 119.600 -0.352 0.000 2.117 306 M HA -0.194 4.286 4.480 0.001 0.000 0.262 306 M C 2.143 178.438 176.300 -0.008 0.000 1.065 306 M CA 1.918 57.214 55.300 -0.007 0.000 1.114 306 M CB -0.427 32.219 32.600 0.077 0.000 1.361 306 M HN 0.514 nan 8.290 nan 0.000 0.408 307 E N -0.304 119.861 120.200 -0.058 0.000 2.028 307 E HA -0.138 4.213 4.350 0.001 0.000 0.191 307 E C 1.936 178.505 176.600 -0.052 0.000 0.988 307 E CA 1.819 58.191 56.400 -0.047 0.000 0.799 307 E CB -0.015 29.652 29.700 -0.056 0.000 0.755 307 E HN 0.425 nan 8.360 nan 0.000 0.447 308 T N 0.558 115.079 114.554 -0.055 0.000 2.759 308 T HA -0.181 4.170 4.350 0.001 0.000 0.269 308 T C 1.815 176.485 174.700 -0.050 0.000 1.042 308 T CA 1.370 63.435 62.100 -0.059 0.000 1.140 308 T CB -0.155 68.733 68.868 0.034 0.000 0.864 308 T HN -0.058 nan 8.240 nan 0.000 0.455 309 R N 0.916 121.429 120.500 0.021 0.000 2.235 309 R HA 0.140 4.481 4.340 0.001 0.000 0.213 309 R C 1.418 177.753 176.300 0.058 0.000 1.059 309 R CA 0.689 56.852 56.100 0.104 0.000 0.997 309 R CB -0.708 29.770 30.300 0.297 0.000 0.884 309 R HN 0.479 nan 8.270 nan 0.000 0.462 310 G N 0.256 109.064 108.800 0.014 0.000 2.204 310 G HA2 -0.238 3.723 3.960 0.001 0.000 0.244 310 G HA3 -0.238 3.723 3.960 0.001 0.000 0.244 310 G C -0.218 174.668 174.900 -0.025 0.000 1.062 310 G CA 0.209 45.297 45.100 -0.019 0.000 0.798 310 G HN 0.273 nan 8.290 nan 0.000 0.496 311 I N 0.916 121.503 120.570 0.028 0.000 2.306 311 I HA 0.337 4.508 4.170 0.001 0.000 0.288 311 I C 0.529 176.651 176.117 0.008 0.000 1.036 311 I CA -0.424 60.891 61.300 0.025 0.000 1.221 311 I CB 1.015 39.118 38.000 0.172 0.000 1.385 311 I HN -0.067 nan 8.210 nan 0.000 0.472 312 K N 7.061 127.427 120.400 -0.056 0.000 2.156 312 K HA 0.811 5.132 4.320 0.001 0.000 0.254 312 K C -1.167 175.413 176.600 -0.034 0.000 0.950 312 K CA -0.851 55.415 56.287 -0.036 0.000 0.849 312 K CB 2.480 34.948 32.500 -0.053 0.000 1.100 312 K HN 0.335 nan 8.250 nan 0.000 0.434 313 L N -1.268 119.956 121.223 0.001 0.000 2.506 313 L HA 0.472 4.813 4.340 0.001 0.000 0.257 313 L C 0.388 177.267 176.870 0.014 0.000 0.964 313 L CA -0.776 54.068 54.840 0.007 0.000 0.836 313 L CB 1.404 43.480 42.059 0.028 0.000 1.384 313 L HN 0.580 nan 8.230 nan 0.000 0.410 314 T N -2.034 112.526 114.554 0.010 0.000 2.988 314 T HA 0.102 4.453 4.350 0.001 0.000 0.240 314 T C 0.521 175.235 174.700 0.023 0.000 1.014 314 T CA 0.103 62.210 62.100 0.012 0.000 1.155 314 T CB -0.300 68.569 68.868 0.001 0.000 0.872 314 T HN 0.493 nan 8.240 nan 0.000 0.440 315 K N 2.484 122.898 120.400 0.025 0.000 3.908 315 K HA -0.118 4.203 4.320 0.001 0.000 0.279 315 K C 0.035 176.656 176.600 0.034 0.000 0.889 315 K CA -0.042 56.264 56.287 0.032 0.000 0.974 315 K CB -1.406 31.127 32.500 0.055 0.000 1.646 315 K HN 0.357 nan 8.250 nan 0.000 0.435 316 I N 2.217 122.790 120.570 0.005 0.000 3.275 316 I HA -0.261 3.910 4.170 0.001 0.000 0.345 316 I C 0.595 176.712 176.117 0.000 0.000 1.202 316 I CA 1.114 62.406 61.300 -0.013 0.000 1.483 316 I CB 0.080 38.050 38.000 -0.050 0.000 1.293 316 I HN 0.467 nan 8.210 nan 0.000 0.508 317 K N 7.355 127.757 120.400 0.004 0.000 2.258 317 K HA 0.392 4.713 4.320 0.001 0.000 0.284 317 K C -0.712 175.862 176.600 -0.043 0.000 1.051 317 K CA -0.409 55.885 56.287 0.013 0.000 0.923 317 K CB 0.851 33.376 32.500 0.041 0.000 1.046 317 K HN 0.560 nan 8.250 nan 0.000 0.474 318 L N 4.232 125.400 121.223 -0.091 0.000 2.312 318 L HA 0.268 4.608 4.340 0.001 0.000 0.281 318 L C -0.507 176.309 176.870 -0.089 0.000 1.070 318 L CA -0.571 54.170 54.840 -0.165 0.000 0.805 318 L CB 1.049 42.870 42.059 -0.397 0.000 1.174 318 L HN 0.824 nan 8.230 nan 0.000 0.434 319 D N 5.378 125.732 120.400 -0.076 0.000 2.349 319 D HA 0.477 5.118 4.640 0.001 0.000 0.232 319 D C -0.668 175.603 176.300 -0.048 0.000 1.071 319 D CA -0.290 53.686 54.000 -0.040 0.000 0.832 319 D CB 1.558 42.343 40.800 -0.025 0.000 1.086 319 D HN 0.238 nan 8.370 nan 0.000 0.504 320 L N 2.216 123.426 121.223 -0.022 0.000 2.283 320 L HA 0.437 4.778 4.340 0.001 0.000 0.259 320 L C -1.330 175.549 176.870 0.015 0.000 1.027 320 L CA -2.047 52.792 54.840 -0.001 0.000 0.828 320 L CB 2.498 44.581 42.059 0.039 0.000 1.380 320 L HN 0.194 nan 8.230 nan 0.000 0.425 321 P HA 0.026 nan 4.420 nan 0.000 0.233 321 P C -0.072 177.238 177.300 0.016 0.000 1.167 321 P CA 0.835 63.940 63.100 0.009 0.000 0.770 321 P CB 0.081 31.776 31.700 -0.007 0.000 0.837 322 I N -3.429 117.166 120.570 0.041 0.000 2.607 322 I HA 0.508 4.679 4.170 0.001 0.000 0.305 322 I C 0.063 176.196 176.117 0.028 0.000 0.995 322 I CA -1.348 59.951 61.300 -0.002 0.000 1.148 322 I CB 1.004 38.988 38.000 -0.026 0.000 1.323 322 I HN -0.342 nan 8.210 nan 0.000 0.461 323 N N 3.031 121.699 118.700 -0.053 0.000 2.371 323 N HA 0.329 5.070 4.740 0.001 0.000 0.243 323 N C -1.521 174.101 175.510 0.187 0.000 1.287 323 N CA 0.166 53.258 53.050 0.071 0.000 0.911 323 N CB 0.772 39.293 38.487 0.058 0.000 1.142 323 N HN 0.662 nan 8.380 nan 0.000 0.451 324 F N 0.056 120.148 119.950 0.237 0.000 2.605 324 F HA 0.609 5.137 4.527 0.001 0.000 0.320 324 F C -0.118 175.905 175.800 0.372 0.000 1.159 324 F CA 0.011 58.195 58.000 0.305 0.000 0.999 324 F CB 1.173 40.296 39.000 0.205 0.000 1.258 324 F HN 0.574 nan 8.300 nan 0.000 0.464 325 G N 5.123 113.920 108.800 -0.004 0.000 2.328 325 G HA2 0.292 4.253 3.960 0.001 0.000 0.295 325 G HA3 0.292 4.253 3.960 0.001 0.000 0.295 325 G C -3.029 171.370 174.900 -0.835 0.000 1.413 325 G CA -0.750 44.251 45.100 -0.165 0.000 0.817 325 G HN 0.264 nan 8.290 nan 0.000 0.546 326 P HA 0.028 nan 4.420 nan 0.000 0.226 326 P C 1.818 178.635 177.300 -0.805 0.000 1.153 326 P CA 1.408 63.756 63.100 -1.253 0.000 0.777 326 P CB 0.211 31.508 31.700 -0.671 0.000 0.794 327 A N -0.225 122.117 122.820 -0.796 0.000 1.978 327 A HA -0.160 4.161 4.320 0.001 0.000 0.220 327 A C 1.670 178.872 177.584 -0.636 0.000 1.170 327 A CA 1.421 52.987 52.037 -0.785 0.000 0.636 327 A CB -1.614 16.776 19.000 -1.016 0.000 0.810 327 A HN 0.137 nan 8.150 nan 0.000 0.448 328 F N -0.489 119.319 119.950 -0.237 0.000 2.754 328 F HA 0.154 4.682 4.527 0.001 0.000 0.297 328 F C 1.911 177.606 175.800 -0.176 0.000 1.122 328 F CA 0.363 58.295 58.000 -0.114 0.000 1.400 328 F CB -0.372 38.581 39.000 -0.078 0.000 1.117 328 F HN 0.390 nan 8.300 nan 0.000 0.587 329 E N 0.908 120.984 120.200 -0.207 0.000 2.171 329 E HA -0.166 4.185 4.350 0.001 0.000 0.197 329 E C 2.263 178.807 176.600 -0.094 0.000 0.997 329 E CA 1.315 57.625 56.400 -0.150 0.000 0.810 329 E CB -0.370 29.192 29.700 -0.229 0.000 0.738 329 E HN 0.407 nan 8.360 nan 0.000 0.467 330 G N 1.083 109.773 108.800 -0.183 0.000 3.088 330 G HA2 -0.062 3.898 3.960 0.001 0.000 0.217 330 G HA3 -0.062 3.898 3.960 0.001 0.000 0.217 330 G C 0.275 175.025 174.900 -0.250 0.000 1.159 330 G CA 0.012 45.000 45.100 -0.187 0.000 0.760 330 G HN 0.447 nan 8.290 nan 0.000 0.550 331 E N 0.249 120.341 120.200 -0.180 0.000 2.428 331 E HA 0.360 4.710 4.350 0.001 0.000 0.257 331 E C -0.760 175.882 176.600 0.069 0.000 1.197 331 E CA -0.101 56.279 56.400 -0.034 0.000 0.974 331 E CB 0.565 30.447 29.700 0.304 0.000 0.976 331 E HN -0.041 nan 8.360 nan 0.000 0.463 332 S N 0.934 116.640 115.700 0.009 0.000 2.513 332 S HA 0.451 4.922 4.470 0.001 0.000 0.299 332 S C -0.421 174.030 174.600 -0.248 0.000 1.087 332 S CA -0.719 57.336 58.200 -0.242 0.000 1.012 332 S CB 0.885 63.981 63.200 -0.174 0.000 1.044 332 S HN 0.436 nan 8.310 nan 0.000 0.485 333 I N 2.752 123.025 120.570 -0.494 0.000 2.330 333 I HA 0.351 4.522 4.170 0.001 0.000 0.286 333 I C 0.606 176.536 176.117 -0.310 0.000 1.025 333 I CA -0.464 60.657 61.300 -0.298 0.000 1.197 333 I CB 0.754 38.618 38.000 -0.227 0.000 1.358 333 I HN 0.335 nan 8.210 nan 0.000 0.467 334 R N 5.238 125.632 120.500 -0.177 0.000 2.590 334 R HA 0.092 4.433 4.340 0.001 0.000 0.274 334 R C 1.090 177.337 176.300 -0.088 0.000 1.061 334 R CA -0.480 55.544 56.100 -0.128 0.000 1.081 334 R CB 0.938 31.196 30.300 -0.070 0.000 0.984 334 R HN 0.485 nan 8.270 nan 0.000 0.448 335 K N 2.456 122.818 120.400 -0.062 0.000 2.173 335 K HA -0.188 4.133 4.320 0.001 0.000 0.207 335 K C 1.777 178.373 176.600 -0.007 0.000 1.046 335 K CA 1.824 58.102 56.287 -0.016 0.000 0.929 335 K CB -0.749 31.758 32.500 0.011 0.000 0.720 335 K HN 0.819 nan 8.250 nan 0.000 0.453 336 G N 1.899 110.692 108.800 -0.012 0.000 2.422 336 G HA2 -0.205 3.756 3.960 0.001 0.000 0.218 336 G HA3 -0.205 3.756 3.960 0.001 0.000 0.218 336 G C 0.999 175.899 174.900 0.001 0.000 1.146 336 G CA 0.673 45.771 45.100 -0.004 0.000 0.769 336 G HN 0.300 nan 8.290 nan 0.000 0.547 337 D N -0.238 120.157 120.400 -0.008 0.000 2.339 337 D HA 0.084 4.725 4.640 0.001 0.000 0.217 337 D C 0.983 177.298 176.300 0.025 0.000 1.050 337 D CA -0.150 53.852 54.000 0.003 0.000 0.856 337 D CB 0.239 41.029 40.800 -0.017 0.000 0.922 337 D HN 0.280 nan 8.370 nan 0.000 0.518 338 M N 0.990 120.603 119.600 0.021 0.000 2.227 338 M HA -0.028 4.453 4.480 0.001 0.000 0.349 338 M C 0.566 176.927 176.300 0.103 0.000 1.443 338 M CA -0.102 55.230 55.300 0.054 0.000 1.110 338 M CB 0.809 33.430 32.600 0.036 0.000 1.773 338 M HN -0.071 nan 8.290 nan 0.000 0.463 339 Y N 5.176 125.495 120.300 0.031 0.000 2.231 339 Y HA 0.228 4.779 4.550 0.001 0.000 0.294 339 Y C 0.237 176.190 175.900 0.088 0.000 1.120 339 Y CA 1.186 59.314 58.100 0.047 0.000 1.141 339 Y CB 0.628 39.108 38.460 0.034 0.000 1.022 339 Y HN 0.496 nan 8.280 nan 0.000 0.523 340 V N -0.145 119.937 119.914 0.280 0.000 3.181 340 V HA 0.489 4.610 4.120 0.001 0.000 0.308 340 V C -1.761 174.495 176.094 0.270 0.000 1.214 340 V CA -0.649 61.802 62.300 0.251 0.000 1.053 340 V CB 2.197 34.254 31.823 0.390 0.000 1.069 340 V HN 0.145 nan 8.190 nan 0.000 0.441 341 E N 2.572 122.935 120.200 0.270 0.000 2.321 341 E HA 0.661 5.012 4.350 0.001 0.000 0.278 341 E C -1.982 174.805 176.600 0.311 0.000 0.902 341 E CA -0.754 55.836 56.400 0.318 0.000 0.758 341 E CB 2.129 32.013 29.700 0.306 0.000 1.213 341 E HN 0.701 nan 8.360 nan 0.000 0.426 342 M N 1.863 121.679 119.600 0.359 0.000 2.446 342 M HA 0.615 5.096 4.480 0.001 0.000 0.294 342 M C 0.135 176.602 176.300 0.279 0.000 1.158 342 M CA 0.074 55.529 55.300 0.258 0.000 0.899 342 M CB 1.828 34.541 32.600 0.187 0.000 1.687 342 M HN 0.741 nan 8.290 nan 0.000 0.455 343 G N 0.897 109.782 108.800 0.142 0.000 2.593 343 G HA2 0.281 4.242 3.960 0.001 0.000 0.237 343 G HA3 0.281 4.242 3.960 0.001 0.000 0.237 343 G C 0.489 175.331 174.900 -0.098 0.000 1.312 343 G CA 0.001 45.144 45.100 0.072 0.000 0.896 343 G HN 2.078 nan 8.290 nan 0.000 0.574 344 G N -1.012 107.677 108.800 -0.185 0.000 2.273 344 G HA2 -0.003 3.958 3.960 0.001 0.000 0.280 344 G HA3 -0.003 3.958 3.960 0.001 0.000 0.280 344 G C 0.626 175.228 174.900 -0.496 0.000 1.047 344 G CA 1.339 46.086 45.100 -0.590 0.000 0.869 344 G HN 2.392 nan 8.290 nan 0.000 0.502 345 N N -2.914 115.643 118.700 -0.238 0.000 2.815 345 N HA -0.262 4.479 4.740 0.001 0.000 0.247 345 N C 1.605 177.025 175.510 -0.149 0.000 1.030 345 N CA 1.722 54.671 53.050 -0.169 0.000 0.881 345 N CB -0.497 37.885 38.487 -0.176 0.000 1.134 345 N HN 0.588 nan 8.380 nan 0.000 0.582 346 R N 0.023 120.430 120.500 -0.156 0.000 2.051 346 R HA 0.207 4.548 4.340 0.001 0.000 0.218 346 R C 1.025 177.311 176.300 -0.024 0.000 1.188 346 R CA 1.791 57.843 56.100 -0.081 0.000 0.992 346 R CB -0.063 30.207 30.300 -0.051 0.000 0.883 346 R HN 0.465 nan 8.270 nan 0.000 0.444 347 T N -1.272 113.282 114.554 -0.000 0.000 2.949 347 T HA 0.616 4.967 4.350 0.001 0.000 0.287 347 T C -2.768 171.947 174.700 0.024 0.000 1.034 347 T CA -2.483 59.633 62.100 0.026 0.000 1.018 347 T CB 2.239 71.141 68.868 0.057 0.000 1.135 347 T HN -0.177 nan 8.240 nan 0.000 0.532 348 P HA 0.598 nan 4.420 nan 0.000 0.280 348 P C -1.280 176.072 177.300 0.088 0.000 1.244 348 P CA -0.371 62.770 63.100 0.068 0.000 0.784 348 P CB 0.853 32.602 31.700 0.081 0.000 0.913 349 A N 2.797 125.683 122.820 0.110 0.000 2.594 349 A HA 0.841 5.161 4.320 0.001 0.000 0.295 349 A C -1.504 176.191 177.584 0.185 0.000 1.071 349 A CA -0.504 51.583 52.037 0.082 0.000 0.685 349 A CB 1.049 20.071 19.000 0.037 0.000 1.285 349 A HN 0.509 nan 8.150 nan 0.000 0.405 350 F N -0.400 119.622 119.950 0.120 0.000 2.686 350 F HA 0.827 5.355 4.527 0.001 0.000 0.311 350 F C -0.812 175.084 175.800 0.160 0.000 1.128 350 F CA -0.776 57.319 58.000 0.159 0.000 0.946 350 F CB 1.324 40.437 39.000 0.188 0.000 1.336 350 F HN 0.762 nan 8.300 nan 0.000 0.457 351 E N 2.229 122.685 120.200 0.426 0.000 2.288 351 E HA 0.737 5.087 4.350 0.001 0.000 0.268 351 E C -2.212 174.702 176.600 0.524 0.000 0.885 351 E CA -1.207 55.385 56.400 0.319 0.000 0.767 351 E CB 2.916 32.728 29.700 0.188 0.000 1.220 351 E HN 0.788 nan 8.360 nan 0.000 0.427 352 L N 1.951 123.426 121.223 0.420 0.000 2.543 352 L HA 0.335 4.676 4.340 0.001 0.000 0.265 352 L C -1.853 175.161 176.870 0.240 0.000 0.945 352 L CA -0.636 54.424 54.840 0.365 0.000 0.869 352 L CB 2.206 44.488 42.059 0.372 0.000 1.294 352 L HN 0.572 nan 8.230 nan 0.000 0.405 353 V N 5.085 125.107 119.914 0.180 0.000 2.427 353 V HA 0.768 4.889 4.120 0.001 0.000 0.286 353 V C -0.337 175.826 176.094 0.116 0.000 1.034 353 V CA -0.474 61.902 62.300 0.127 0.000 0.893 353 V CB 1.574 33.444 31.823 0.079 0.000 0.982 353 V HN 0.858 nan 8.190 nan 0.000 0.452 354 R N 1.838 122.403 120.500 0.108 0.000 2.725 354 R HA 0.697 5.037 4.340 0.001 0.000 0.277 354 R C -0.789 175.562 176.300 0.084 0.000 0.987 354 R CA -0.657 55.497 56.100 0.089 0.000 0.901 354 R CB 0.845 31.200 30.300 0.091 0.000 1.207 354 R HN 0.467 nan 8.270 nan 0.000 0.463 355 T N 1.806 116.400 114.554 0.067 0.000 2.794 355 T HA 0.398 4.748 4.350 0.001 0.000 0.296 355 T C 0.300 175.054 174.700 0.089 0.000 0.949 355 T CA -0.643 61.499 62.100 0.069 0.000 1.101 355 T CB 0.733 69.623 68.868 0.036 0.000 0.905 355 T HN 0.506 nan 8.240 nan 0.000 0.516 356 V N 0.821 120.812 119.914 0.127 0.000 2.815 356 V HA 0.827 4.948 4.120 0.001 0.000 0.314 356 V C 0.335 176.547 176.094 0.196 0.000 1.064 356 V CA -1.296 61.084 62.300 0.133 0.000 0.952 356 V CB 1.662 33.558 31.823 0.120 0.000 1.020 356 V HN 0.929 nan 8.190 nan 0.000 0.439 357 S N 0.820 116.609 115.700 0.148 0.000 2.585 357 S HA 0.183 4.654 4.470 0.001 0.000 0.273 357 S C 0.947 175.610 174.600 0.106 0.000 1.339 357 S CA 0.505 58.807 58.200 0.171 0.000 1.028 357 S CB 0.837 64.095 63.200 0.097 0.000 0.906 357 S HN 1.017 nan 8.310 nan 0.000 0.528 358 E N 1.133 121.353 120.200 0.034 0.000 2.169 358 E HA -0.259 4.092 4.350 0.001 0.000 0.202 358 E C 1.971 178.462 176.600 -0.183 0.000 1.016 358 E CA 1.697 57.885 56.400 -0.354 0.000 0.817 358 E CB -0.323 29.184 29.700 -0.322 0.000 0.736 358 E HN 0.879 nan 8.360 nan 0.000 0.462 359 S N -0.527 115.135 115.700 -0.064 0.000 2.453 359 S HA -0.105 4.366 4.470 0.001 0.000 0.231 359 S C 1.500 176.087 174.600 -0.023 0.000 1.005 359 S CA 1.043 59.220 58.200 -0.038 0.000 0.949 359 S CB 0.021 63.216 63.200 -0.008 0.000 0.774 359 S HN 0.283 nan 8.310 nan 0.000 0.510 360 E N -0.072 120.123 120.200 -0.007 0.000 2.452 360 E HA 0.390 4.741 4.350 0.001 0.000 0.197 360 E C 0.027 176.635 176.600 0.013 0.000 1.022 360 E CA -0.135 56.277 56.400 0.019 0.000 0.890 360 E CB 0.447 30.176 29.700 0.049 0.000 0.918 360 E HN 0.560 nan 8.360 nan 0.000 0.496 361 I N 1.308 121.864 120.570 -0.023 0.000 2.377 361 I HA 0.157 4.328 4.170 0.001 0.000 0.293 361 I C -0.890 175.199 176.117 -0.047 0.000 0.987 361 I CA -0.346 60.941 61.300 -0.022 0.000 1.185 361 I CB 1.477 39.468 38.000 -0.016 0.000 1.341 361 I HN -0.173 nan 8.210 nan 0.000 0.455 362 T N 4.579 119.121 114.554 -0.020 0.000 2.788 362 T HA 0.188 4.539 4.350 0.001 0.000 0.296 362 T C -0.484 174.208 174.700 -0.012 0.000 1.009 362 T CA -0.502 61.584 62.100 -0.024 0.000 0.949 362 T CB 0.757 69.617 68.868 -0.014 0.000 0.946 362 T HN 0.470 nan 8.240 nan 0.000 0.453 363 D N 2.141 122.532 120.400 -0.015 0.000 2.487 363 D HA 0.334 4.975 4.640 0.001 0.000 0.243 363 D C 1.485 177.784 176.300 -0.000 0.000 1.154 363 D CA 1.712 55.714 54.000 0.002 0.000 0.876 363 D CB 0.149 40.952 40.800 0.005 0.000 1.161 363 D HN 0.862 nan 8.370 nan 0.000 0.478 364 G N 3.486 112.288 108.800 0.005 0.000 2.199 364 G HA2 -0.324 3.637 3.960 0.001 0.000 0.254 364 G HA3 -0.324 3.637 3.960 0.001 0.000 0.254 364 G C 0.507 175.402 174.900 -0.008 0.000 0.982 364 G CA 0.479 45.577 45.100 -0.004 0.000 0.632 364 G HN 0.697 nan 8.290 nan 0.000 0.529 365 K N 0.903 121.298 120.400 -0.007 0.000 2.402 365 K HA 0.500 4.821 4.320 0.001 0.000 0.285 365 K C 0.045 176.635 176.600 -0.018 0.000 1.054 365 K CA -0.260 56.019 56.287 -0.013 0.000 1.001 365 K CB -0.032 32.461 32.500 -0.011 0.000 0.946 365 K HN 0.301 nan 8.250 nan 0.000 0.473 366 I N 3.659 124.215 120.570 -0.024 0.000 2.441 366 I HA 0.294 4.465 4.170 0.001 0.000 0.295 366 I C -0.229 175.859 176.117 -0.048 0.000 0.994 366 I CA -0.545 60.736 61.300 -0.032 0.000 1.144 366 I CB 1.879 39.868 38.000 -0.019 0.000 1.314 366 I HN 0.620 nan 8.210 nan 0.000 0.445 367 E N 4.510 124.661 120.200 -0.081 0.000 2.292 367 E HA 0.520 4.870 4.350 0.001 0.000 0.272 367 E C -1.613 174.901 176.600 -0.143 0.000 0.881 367 E CA -0.705 55.636 56.400 -0.098 0.000 0.754 367 E CB 3.150 32.785 29.700 -0.109 0.000 1.201 367 E HN 0.256 nan 8.360 nan 0.000 0.425 368 V N 4.447 124.309 119.914 -0.086 0.000 2.334 368 V HA 0.411 4.532 4.120 0.001 0.000 0.281 368 V C -0.130 175.934 176.094 -0.050 0.000 1.016 368 V CA -0.529 61.731 62.300 -0.066 0.000 0.832 368 V CB 0.973 32.820 31.823 0.039 0.000 0.999 368 V HN 0.597 nan 8.190 nan 0.000 0.439 369 I N 5.189 125.707 120.570 -0.087 0.000 2.412 369 I HA 0.752 4.922 4.170 0.001 0.000 0.279 369 I C 0.788 176.954 176.117 0.081 0.000 1.063 369 I CA 0.402 61.711 61.300 0.015 0.000 1.193 369 I CB 0.897 38.935 38.000 0.064 0.000 1.370 369 I HN 0.923 nan 8.210 nan 0.000 0.479 370 G N 6.903 115.752 108.800 0.082 0.000 2.302 370 G HA2 -0.005 3.955 3.960 0.001 0.000 0.276 370 G HA3 -0.005 3.955 3.960 0.001 0.000 0.276 370 G C -3.163 171.807 174.900 0.116 0.000 1.316 370 G CA -1.031 44.130 45.100 0.102 0.000 0.988 370 G HN 0.251 nan 8.290 nan 0.000 0.479 371 P HA 0.273 nan 4.420 nan 0.000 0.267 371 P C -0.711 176.744 177.300 0.258 0.000 1.205 371 P CA 0.227 63.423 63.100 0.160 0.000 0.765 371 P CB 0.964 32.758 31.700 0.156 0.000 0.828 372 D N 1.533 122.049 120.400 0.194 0.000 2.451 372 D HA 0.119 4.760 4.640 0.001 0.000 0.259 372 D C 1.500 177.807 176.300 0.013 0.000 1.201 372 D CA -0.650 53.453 54.000 0.171 0.000 1.028 372 D CB 1.189 41.998 40.800 0.015 0.000 1.095 372 D HN 0.125 nan 8.370 nan 0.000 0.539 373 I N 0.613 120.934 120.570 -0.415 0.000 2.248 373 I HA -0.285 3.886 4.170 0.001 0.000 0.248 373 I C 0.847 176.960 176.117 -0.007 0.000 1.107 373 I CA 1.502 62.584 61.300 -0.363 0.000 1.373 373 I CB -0.021 37.603 38.000 -0.626 0.000 1.055 373 I HN 0.335 nan 8.210 nan 0.000 0.418 374 D N -0.495 119.871 120.400 -0.057 0.000 2.722 374 D HA 0.039 4.680 4.640 0.001 0.000 0.239 374 D C 0.573 176.900 176.300 0.044 0.000 1.249 374 D CA 0.050 54.057 54.000 0.012 0.000 0.830 374 D CB -0.069 40.698 40.800 -0.054 0.000 1.025 374 D HN 0.400 nan 8.370 nan 0.000 0.486 375 Q N 0.197 120.042 119.800 0.076 0.000 1.989 375 Q HA 0.304 4.645 4.340 0.001 0.000 0.215 375 Q C -0.245 175.808 176.000 0.088 0.000 0.809 375 Q CA -0.177 55.669 55.803 0.072 0.000 1.024 375 Q CB 1.229 30.008 28.738 0.069 0.000 1.236 375 Q HN 0.538 nan 8.270 nan 0.000 0.429 376 I N -3.212 117.420 120.570 0.104 0.000 2.865 376 I HA 0.782 4.952 4.170 0.001 0.000 0.302 376 I C -2.697 173.433 176.117 0.023 0.000 1.140 376 I CA -2.609 58.739 61.300 0.080 0.000 1.021 376 I CB 2.023 40.097 38.000 0.123 0.000 1.233 376 I HN -0.197 nan 8.210 nan 0.000 0.427 377 P HA 0.225 nan 4.420 nan 0.000 0.276 377 P C -0.714 176.429 177.300 -0.263 0.000 1.252 377 P CA -0.211 62.839 63.100 -0.083 0.000 0.802 377 P CB 0.798 32.469 31.700 -0.048 0.000 1.035 378 E N -0.416 119.588 120.200 -0.328 0.000 2.414 378 E HA 0.245 4.596 4.350 0.001 0.000 0.263 378 E C 1.019 177.437 176.600 -0.302 0.000 1.000 378 E CA 0.888 56.972 56.400 -0.528 0.000 0.914 378 E CB -0.420 29.122 29.700 -0.263 0.000 0.948 378 E HN 0.779 nan 8.360 nan 0.000 0.444 379 G N 2.918 111.534 108.800 -0.307 0.000 2.162 379 G HA2 -0.333 3.627 3.960 0.001 0.000 0.260 379 G HA3 -0.333 3.627 3.960 0.001 0.000 0.260 379 G C 0.265 175.122 174.900 -0.072 0.000 0.976 379 G CA 0.554 45.580 45.100 -0.123 0.000 0.655 379 G HN 0.757 nan 8.290 nan 0.000 0.533 380 S N -0.693 114.945 115.700 -0.103 0.000 2.634 380 S HA 0.730 5.201 4.470 0.001 0.000 0.261 380 S C 0.203 174.835 174.600 0.053 0.000 1.271 380 S CA 0.326 58.515 58.200 -0.017 0.000 0.985 380 S CB 1.473 64.666 63.200 -0.012 0.000 0.968 380 S HN 0.590 nan 8.310 nan 0.000 0.568 381 K N -0.164 120.281 120.400 0.075 0.000 2.340 381 K HA 0.780 5.101 4.320 0.001 0.000 0.244 381 K C -1.636 175.035 176.600 0.119 0.000 0.973 381 K CA -0.916 55.438 56.287 0.112 0.000 0.828 381 K CB 1.356 33.911 32.500 0.090 0.000 1.226 381 K HN 0.369 nan 8.250 nan 0.000 0.437 382 L N 1.789 123.095 121.223 0.138 0.000 2.472 382 L HA 0.472 4.812 4.340 0.001 0.000 0.260 382 L C -2.752 174.178 176.870 0.100 0.000 0.963 382 L CA -1.914 53.004 54.840 0.130 0.000 0.829 382 L CB 2.225 44.393 42.059 0.181 0.000 1.348 382 L HN 0.487 nan 8.230 nan 0.000 0.408 383 P HA 0.406 nan 4.420 nan 0.000 0.276 383 P C -1.540 175.778 177.300 0.030 0.000 1.252 383 P CA -0.482 62.656 63.100 0.063 0.000 0.802 383 P CB 1.627 33.369 31.700 0.070 0.000 1.035 384 L N 0.649 121.869 121.223 -0.005 0.000 2.505 384 L HA 0.680 5.021 4.340 0.001 0.000 0.266 384 L C -0.639 176.080 176.870 -0.252 0.000 0.954 384 L CA -0.160 54.621 54.840 -0.098 0.000 0.852 384 L CB 1.815 43.817 42.059 -0.096 0.000 1.282 384 L HN 0.563 nan 8.230 nan 0.000 0.403 385 G N 5.658 114.274 108.800 -0.307 0.000 2.574 385 G HA2 0.602 4.563 3.960 0.001 0.000 0.306 385 G HA3 0.602 4.563 3.960 0.001 0.000 0.306 385 G C -0.992 173.629 174.900 -0.465 0.000 1.334 385 G CA -0.377 44.212 45.100 -0.851 0.000 0.954 385 G HN 0.526 nan 8.290 nan 0.000 0.500 386 I N 2.821 123.097 120.570 -0.491 0.000 2.307 386 I HA 0.267 4.438 4.170 0.001 0.000 0.289 386 I C -0.719 175.401 176.117 0.005 0.000 1.021 386 I CA -0.663 60.516 61.300 -0.202 0.000 1.224 386 I CB 1.641 39.547 38.000 -0.157 0.000 1.376 386 I HN 0.167 nan 8.210 nan 0.000 0.470 387 L N 8.658 129.902 121.223 0.036 0.000 2.305 387 L HA 0.545 4.885 4.340 0.001 0.000 0.284 387 L C -0.656 176.272 176.870 0.096 0.000 1.013 387 L CA -0.385 54.561 54.840 0.176 0.000 0.819 387 L CB 1.655 43.868 42.059 0.257 0.000 1.227 387 L HN 0.285 nan 8.230 nan 0.000 0.417 388 V N 4.349 124.342 119.914 0.132 0.000 2.349 388 V HA 0.445 4.566 4.120 0.001 0.000 0.284 388 V C -0.857 175.304 176.094 0.112 0.000 1.014 388 V CA -0.821 61.542 62.300 0.105 0.000 0.826 388 V CB 1.350 33.238 31.823 0.108 0.000 1.009 388 V HN 0.619 nan 8.190 nan 0.000 0.431 389 D N 5.190 125.651 120.400 0.100 0.000 2.198 389 D HA 0.503 5.144 4.640 0.001 0.000 0.245 389 D C -0.467 175.899 176.300 0.110 0.000 1.079 389 D CA -0.182 53.882 54.000 0.107 0.000 0.854 389 D CB 2.430 43.292 40.800 0.103 0.000 1.148 389 D HN 0.188 nan 8.370 nan 0.000 0.456 390 I N 2.436 123.077 120.570 0.118 0.000 2.465 390 I HA 0.274 4.445 4.170 0.001 0.000 0.291 390 I C -0.691 175.531 176.117 0.175 0.000 1.014 390 I CA -0.832 60.542 61.300 0.123 0.000 1.093 390 I CB 1.330 39.376 38.000 0.077 0.000 1.267 390 I HN 0.335 nan 8.210 nan 0.000 0.431 391 Y N 4.431 124.758 120.300 0.045 0.000 2.425 391 Y HA 0.795 5.346 4.550 0.001 0.000 0.344 391 Y C -0.217 175.710 175.900 0.045 0.000 0.969 391 Y CA -0.389 57.736 58.100 0.041 0.000 1.052 391 Y CB 2.209 40.690 38.460 0.035 0.000 1.215 391 Y HN 0.681 nan 8.280 nan 0.000 0.451 392 G N 4.609 113.081 108.800 -0.546 0.000 2.616 392 G HA2 0.209 4.170 3.960 0.001 0.000 0.294 392 G HA3 0.209 4.170 3.960 0.001 0.000 0.294 392 G C -0.615 174.052 174.900 -0.389 0.000 1.489 392 G CA -0.995 43.876 45.100 -0.381 0.000 0.836 392 G HN 0.722 nan 8.290 nan 0.000 0.527 393 R N -0.132 120.225 120.500 -0.237 0.000 2.133 393 R HA -0.111 4.230 4.340 0.001 0.000 0.247 393 R C 1.645 177.890 176.300 -0.092 0.000 1.151 393 R CA 1.619 57.629 56.100 -0.149 0.000 0.971 393 R CB -0.001 30.265 30.300 -0.056 0.000 0.866 393 R HN 0.420 nan 8.270 nan 0.000 0.447 394 K N -0.492 119.883 120.400 -0.041 0.000 2.358 394 K HA 0.112 4.433 4.320 0.001 0.000 0.200 394 K C 0.214 176.863 176.600 0.081 0.000 1.030 394 K CA -0.316 55.993 56.287 0.036 0.000 1.097 394 K CB 0.377 32.930 32.500 0.089 0.000 0.862 394 K HN -0.000 nan 8.250 nan 0.000 0.534 395 M N 2.723 122.328 119.600 0.009 0.000 2.252 395 M HA -0.053 4.428 4.480 0.001 0.000 0.333 395 M C -0.286 175.993 176.300 -0.035 0.000 1.111 395 M CA 0.864 56.191 55.300 0.045 0.000 1.140 395 M CB 0.330 32.913 32.600 -0.028 0.000 1.538 395 M HN 0.173 nan 8.290 nan 0.000 0.448 396 Q N 3.569 123.315 119.800 -0.089 0.000 2.522 396 Q HA 0.587 4.927 4.340 0.001 0.000 0.285 396 Q C -0.578 175.310 176.000 -0.186 0.000 0.982 396 Q CA -0.354 55.326 55.803 -0.204 0.000 0.805 396 Q CB 0.751 29.286 28.738 -0.338 0.000 1.457 396 Q HN 0.752 nan 8.270 nan 0.000 0.394 397 A N 1.293 124.036 122.820 -0.127 0.000 1.986 397 A HA -0.239 4.081 4.320 0.001 0.000 0.220 397 A C 1.300 178.847 177.584 -0.061 0.000 1.171 397 A CA 2.258 54.258 52.037 -0.062 0.000 0.640 397 A CB -0.674 18.303 19.000 -0.038 0.000 0.811 397 A HN 0.799 nan 8.150 nan 0.000 0.451 398 D N -0.699 119.605 120.400 -0.159 0.000 2.149 398 D HA -0.120 4.521 4.640 0.001 0.000 0.198 398 D C 1.194 177.555 176.300 0.103 0.000 0.990 398 D CA 1.053 55.002 54.000 -0.084 0.000 0.839 398 D CB -0.353 40.350 40.800 -0.163 0.000 0.948 398 D HN 0.469 nan 8.370 nan 0.000 0.460 399 F N 1.136 121.072 119.950 -0.023 0.000 2.802 399 F HA 0.113 4.640 4.527 0.001 0.000 0.300 399 F C 2.049 177.781 175.800 -0.114 0.000 1.168 399 F CA -0.135 57.813 58.000 -0.086 0.000 1.433 399 F CB -0.705 38.224 39.000 -0.119 0.000 1.115 399 F HN 0.026 nan 8.300 nan 0.000 0.582 400 E N 0.192 120.454 120.200 0.105 0.000 2.046 400 E HA -0.084 4.267 4.350 0.001 0.000 0.190 400 E C 2.625 179.251 176.600 0.042 0.000 0.982 400 E CA 0.948 57.381 56.400 0.054 0.000 0.800 400 E CB -0.531 29.206 29.700 0.061 0.000 0.756 400 E HN 0.392 nan 8.360 nan 0.000 0.449 401 G N 0.951 109.791 108.800 0.066 0.000 2.440 401 G HA2 -0.251 3.710 3.960 0.001 0.000 0.218 401 G HA3 -0.251 3.710 3.960 0.001 0.000 0.218 401 G C 1.733 176.646 174.900 0.021 0.000 1.154 401 G CA 0.848 45.981 45.100 0.055 0.000 0.767 401 G HN 0.119 nan 8.290 nan 0.000 0.552 402 V N 0.567 120.494 119.914 0.021 0.000 2.407 402 V HA -0.114 4.007 4.120 0.001 0.000 0.248 402 V C 2.804 178.811 176.094 -0.145 0.000 1.055 402 V CA 1.276 63.554 62.300 -0.037 0.000 1.049 402 V CB -0.334 31.455 31.823 -0.057 0.000 0.662 402 V HN 0.235 nan 8.190 nan 0.000 0.455 403 L N -0.447 120.615 121.223 -0.269 0.000 2.240 403 L HA -0.042 4.298 4.340 0.001 0.000 0.211 403 L C 2.334 179.136 176.870 -0.113 0.000 1.106 403 L CA 1.537 56.190 54.840 -0.311 0.000 0.793 403 L CB -0.842 40.983 42.059 -0.389 0.000 0.927 403 L HN 0.360 nan 8.230 nan 0.000 0.446 404 E N -0.319 119.845 120.200 -0.059 0.000 2.152 404 E HA -0.209 4.142 4.350 0.001 0.000 0.192 404 E C 2.270 178.833 176.600 -0.062 0.000 0.983 404 E CA 0.404 56.791 56.400 -0.022 0.000 0.818 404 E CB 0.137 29.860 29.700 0.037 0.000 0.758 404 E HN 0.254 nan 8.360 nan 0.000 0.467 405 R N 0.201 120.661 120.500 -0.068 0.000 2.159 405 R HA -0.072 4.269 4.340 0.001 0.000 0.237 405 R C 1.822 178.033 176.300 -0.148 0.000 1.131 405 R CA 1.013 57.063 56.100 -0.084 0.000 0.982 405 R CB 0.161 30.432 30.300 -0.048 0.000 0.868 405 R HN -0.020 nan 8.270 nan 0.000 0.453 406 R N -0.095 120.256 120.500 -0.249 0.000 2.276 406 R HA 0.060 4.401 4.340 0.001 0.000 0.196 406 R C 1.928 177.715 176.300 -0.855 0.000 0.961 406 R CA 0.398 56.147 56.100 -0.586 0.000 1.024 406 R CB -0.198 29.641 30.300 -0.768 0.000 0.940 406 R HN 0.340 nan 8.270 nan 0.000 0.480 407 I N 0.315 120.617 120.570 -0.446 0.000 2.163 407 I HA -0.366 3.805 4.170 0.001 0.000 0.243 407 I C 2.623 178.488 176.117 -0.421 0.000 1.085 407 I CA 1.486 62.607 61.300 -0.299 0.000 1.347 407 I CB -0.506 37.393 38.000 -0.168 0.000 1.044 407 I HN 0.322 nan 8.210 nan 0.000 0.408 408 H N 1.627 120.305 119.070 -0.652 0.000 2.306 408 H HA -0.287 4.270 4.556 0.001 0.000 0.289 408 H C 1.811 176.938 175.328 -0.334 0.000 1.081 408 H CA 2.612 58.249 56.048 -0.685 0.000 1.163 408 H CB -0.172 29.389 29.762 -0.334 0.000 1.357 408 H HN 0.343 nan 8.280 nan 0.000 0.524 409 D N 0.201 120.434 120.400 -0.278 0.000 2.106 409 D HA -0.177 4.464 4.640 0.001 0.000 0.191 409 D C 2.295 178.543 176.300 -0.087 0.000 0.997 409 D CA 1.217 55.106 54.000 -0.185 0.000 0.834 409 D CB -0.757 39.944 40.800 -0.165 0.000 0.956 409 D HN 0.328 nan 8.370 nan 0.000 0.448 410 F N 0.875 120.744 119.950 -0.134 0.000 2.126 410 F HA -0.064 4.464 4.527 0.001 0.000 0.299 410 F C 2.604 178.477 175.800 0.122 0.000 1.096 410 F CA 0.065 58.053 58.000 -0.021 0.000 1.255 410 F CB -1.051 37.982 39.000 0.055 0.000 0.997 410 F HN -0.036 nan 8.300 nan 0.000 0.479 411 I N -0.261 120.445 120.570 0.228 0.000 2.286 411 I HA -0.257 3.913 4.170 0.001 0.000 0.245 411 I C 2.181 178.406 176.117 0.180 0.000 1.104 411 I CA 0.826 62.274 61.300 0.246 0.000 1.397 411 I CB -0.455 37.616 38.000 0.119 0.000 1.072 411 I HN 0.074 nan 8.210 nan 0.000 0.417 412 N N 0.340 119.057 118.700 0.028 0.000 2.258 412 N HA -0.228 4.513 4.740 0.001 0.000 0.187 412 N C 1.637 177.209 175.510 0.104 0.000 1.012 412 N CA 1.419 54.479 53.050 0.016 0.000 0.870 412 N CB -0.278 38.108 38.487 -0.169 0.000 0.977 412 N HN 0.345 nan 8.380 nan 0.000 0.434 413 Y N 0.781 120.941 120.300 -0.233 0.000 2.574 413 Y HA 0.075 4.626 4.550 0.001 0.000 0.294 413 Y C 1.715 177.316 175.900 -0.499 0.000 1.142 413 Y CA -0.152 57.624 58.100 -0.541 0.000 1.314 413 Y CB -0.620 37.074 38.460 -1.275 0.000 0.991 413 Y HN -0.131 nan 8.280 nan 0.000 0.555 414 G N 0.669 109.472 108.800 0.005 0.000 2.370 414 G HA2 0.140 4.101 3.960 0.001 0.000 0.272 414 G HA3 0.140 4.101 3.960 0.001 0.000 0.272 414 G C -0.511 174.364 174.900 -0.042 0.000 1.208 414 G CA -0.578 44.610 45.100 0.147 0.000 0.856 414 G HN 0.266 nan 8.290 nan 0.000 0.500 415 E N 1.569 121.566 120.200 -0.338 0.000 2.161 415 E HA 0.363 4.714 4.350 0.001 0.000 0.263 415 E C 1.289 177.693 176.600 -0.328 0.000 1.185 415 E CA 0.661 56.624 56.400 -0.729 0.000 0.938 415 E CB -0.416 28.270 29.700 -1.690 0.000 1.023 415 E HN 0.901 nan 8.360 nan 0.000 0.433 416 G N 4.020 112.727 108.800 -0.155 0.000 2.184 416 G HA2 -0.210 3.751 3.960 0.001 0.000 0.206 416 G HA3 -0.210 3.751 3.960 0.001 0.000 0.206 416 G C -0.049 174.785 174.900 -0.110 0.000 0.995 416 G CA -0.040 44.985 45.100 -0.126 0.000 0.651 416 G HN 0.476 nan 8.290 nan 0.000 0.511 417 L N -0.932 120.265 121.223 -0.044 0.000 2.334 417 L HA 0.864 5.205 4.340 0.001 0.000 0.276 417 L C -0.249 176.754 176.870 0.221 0.000 1.014 417 L CA -1.230 53.642 54.840 0.053 0.000 0.815 417 L CB 1.693 43.797 42.059 0.074 0.000 1.268 417 L HN 0.192 nan 8.230 nan 0.000 0.428 418 W N 3.280 124.598 121.300 0.030 0.000 3.256 418 W HA 0.512 5.173 4.660 0.001 0.000 0.324 418 W C -1.393 175.161 176.519 0.059 0.000 1.196 418 W CA -0.319 57.027 57.345 0.002 0.000 1.206 418 W CB 1.200 30.613 29.460 -0.078 0.000 1.385 418 W HN 0.503 nan 8.180 nan 0.000 0.522 419 H N 3.312 121.915 119.070 -0.778 0.000 3.038 419 H HA 0.569 5.126 4.556 0.001 0.000 0.362 419 H C -1.765 172.973 175.328 -0.983 0.000 1.167 419 H CA -0.012 55.623 56.048 -0.689 0.000 1.197 419 H CB 2.426 32.024 29.762 -0.273 0.000 1.840 419 H HN 0.477 nan 8.280 nan 0.000 0.540 420 T N 2.080 116.022 114.554 -1.021 0.000 2.843 420 T HA 0.609 4.960 4.350 0.001 0.000 0.302 420 T C -0.147 174.337 174.700 -0.360 0.000 1.232 420 T CA 0.903 62.731 62.100 -0.453 0.000 1.009 420 T CB 1.027 69.599 68.868 -0.494 0.000 1.254 420 T HN 1.306 nan 8.240 nan 0.000 0.504 421 G N 1.669 110.389 108.800 -0.133 0.000 2.615 421 G HA2 0.188 4.149 3.960 0.001 0.000 0.218 421 G HA3 0.188 4.149 3.960 0.001 0.000 0.218 421 G C -0.916 173.968 174.900 -0.027 0.000 1.339 421 G CA 0.462 45.516 45.100 -0.078 0.000 0.884 421 G HN 1.310 nan 8.290 nan 0.000 0.559 422 Q N -1.639 118.150 119.800 -0.019 0.000 2.575 422 Q HA 0.776 5.117 4.340 0.001 0.000 0.290 422 Q C 0.601 176.583 176.000 -0.029 0.000 0.963 422 Q CA -0.301 55.496 55.803 -0.010 0.000 0.783 422 Q CB 1.700 30.384 28.738 -0.090 0.000 1.467 422 Q HN 1.243 nan 8.270 nan 0.000 0.402 423 R N 0.439 120.914 120.500 -0.043 0.000 3.923 423 R HA -0.331 4.010 4.340 0.001 0.000 0.400 423 R C 0.530 176.953 176.300 0.205 0.000 0.241 423 R CA 2.221 58.262 56.100 -0.098 0.000 1.284 423 R CB -1.680 28.205 30.300 -0.691 0.000 1.006 423 R HN 1.071 nan 8.270 nan 0.000 0.559 424 N N 1.277 120.112 118.700 0.225 0.000 2.280 424 N HA 0.101 4.842 4.740 0.001 0.000 0.192 424 N C 0.963 176.548 175.510 0.126 0.000 1.109 424 N CA 0.486 53.697 53.050 0.269 0.000 0.855 424 N CB 0.124 38.805 38.487 0.324 0.000 0.974 424 N HN 0.403 nan 8.380 nan 0.000 0.482 425 I N 0.388 120.988 120.570 0.051 0.000 3.764 425 I HA 0.100 4.271 4.170 0.001 0.000 0.312 425 I C 0.167 176.299 176.117 0.024 0.000 1.340 425 I CA -0.570 60.744 61.300 0.023 0.000 1.195 425 I CB -1.057 36.938 38.000 -0.008 0.000 1.068 425 I HN -0.022 nan 8.210 nan 0.000 0.421 426 N N 1.883 120.606 118.700 0.038 0.000 2.265 426 N HA -0.078 4.663 4.740 0.001 0.000 0.231 426 N C -0.984 174.566 175.510 0.067 0.000 1.266 426 N CA 0.706 53.748 53.050 -0.012 0.000 0.862 426 N CB 0.355 38.867 38.487 0.042 0.000 1.100 426 N HN 0.367 nan 8.380 nan 0.000 0.439 427 W N 2.331 123.455 121.300 -0.294 0.000 3.800 427 W HA 0.478 5.139 4.660 0.001 0.000 0.299 427 W C -2.254 174.174 176.519 -0.152 0.000 1.231 427 W CA -0.616 56.657 57.345 -0.119 0.000 1.232 427 W CB -0.105 29.362 29.460 0.012 0.000 1.291 427 W HN 0.273 nan 8.180 nan 0.000 0.514 428 L N 5.516 126.951 121.223 0.353 0.000 2.465 428 L HA 0.709 5.050 4.340 0.001 0.000 0.257 428 L C -0.280 176.842 176.870 0.419 0.000 0.988 428 L CA -0.806 54.186 54.840 0.253 0.000 0.827 428 L CB 2.456 44.635 42.059 0.200 0.000 1.397 428 L HN 0.348 nan 8.230 nan 0.000 0.410 429 R N 0.951 121.719 120.500 0.446 0.000 2.604 429 R HA 0.838 5.179 4.340 0.001 0.000 0.281 429 R C -1.725 174.729 176.300 0.257 0.000 1.020 429 R CA -0.860 55.433 56.100 0.321 0.000 0.899 429 R CB 2.654 33.047 30.300 0.156 0.000 1.205 429 R HN 0.309 nan 8.270 nan 0.000 0.450 430 V N 1.371 121.407 119.914 0.204 0.000 2.628 430 V HA 0.397 4.518 4.120 0.001 0.000 0.306 430 V C 0.206 176.332 176.094 0.053 0.000 1.045 430 V CA -0.824 61.505 62.300 0.050 0.000 0.905 430 V CB 1.961 33.797 31.823 0.022 0.000 0.997 430 V HN 0.939 nan 8.190 nan 0.000 0.436 431 S N 2.657 118.335 115.700 -0.036 0.000 2.616 431 S HA 0.402 4.873 4.470 0.001 0.000 0.277 431 S C 0.749 175.356 174.600 0.012 0.000 1.234 431 S CA -0.678 57.524 58.200 0.004 0.000 1.028 431 S CB 1.364 64.540 63.200 -0.039 0.000 0.988 431 S HN 0.660 nan 8.310 nan 0.000 0.522 432 K N 1.294 121.752 120.400 0.095 0.000 2.089 432 K HA -0.204 4.117 4.320 0.001 0.000 0.210 432 K C 1.433 178.011 176.600 -0.036 0.000 1.048 432 K CA 2.123 58.465 56.287 0.091 0.000 0.926 432 K CB -0.388 32.202 32.500 0.150 0.000 0.714 432 K HN 0.765 nan 8.250 nan 0.000 0.448 433 D N 0.015 120.393 120.400 -0.037 0.000 2.178 433 D HA -0.096 4.545 4.640 0.001 0.000 0.201 433 D C 1.727 177.972 176.300 -0.093 0.000 0.980 433 D CA 1.180 55.142 54.000 -0.064 0.000 0.842 433 D CB 0.076 40.837 40.800 -0.064 0.000 0.948 433 D HN 0.260 nan 8.370 nan 0.000 0.472 434 A N -0.376 122.375 122.820 -0.116 0.000 1.872 434 A HA -0.052 4.269 4.320 0.001 0.000 0.214 434 A C 2.443 179.979 177.584 -0.080 0.000 1.187 434 A CA 1.097 53.059 52.037 -0.125 0.000 0.614 434 A CB -0.791 18.075 19.000 -0.224 0.000 0.826 434 A HN 0.161 nan 8.150 nan 0.000 0.442 435 V N 0.128 119.951 119.914 -0.153 0.000 2.324 435 V HA -0.325 3.795 4.120 0.001 0.000 0.250 435 V C 2.979 178.940 176.094 -0.221 0.000 1.060 435 V CA 2.157 64.297 62.300 -0.267 0.000 1.042 435 V CB -1.103 30.265 31.823 -0.757 0.000 0.650 435 V HN 0.612 nan 8.190 nan 0.000 0.450 436 A N -1.085 121.634 122.820 -0.168 0.000 2.066 436 A HA -0.143 4.178 4.320 0.001 0.000 0.218 436 A C 2.178 179.711 177.584 -0.084 0.000 1.157 436 A CA 1.438 53.407 52.037 -0.114 0.000 0.670 436 A CB -0.315 18.641 19.000 -0.073 0.000 0.804 436 A HN 0.534 nan 8.150 nan 0.000 0.453 437 K N -1.814 118.542 120.400 -0.074 0.000 2.400 437 K HA 0.230 4.551 4.320 0.001 0.000 0.194 437 K C 1.017 177.589 176.600 -0.046 0.000 1.033 437 K CA 0.648 56.903 56.287 -0.053 0.000 1.021 437 K CB 0.207 32.676 32.500 -0.051 0.000 0.808 437 K HN 0.571 nan 8.250 nan 0.000 0.505 438 G N 0.542 109.309 108.800 -0.056 0.000 2.273 438 G HA2 -0.221 3.740 3.960 0.001 0.000 0.162 438 G HA3 -0.221 3.740 3.960 0.001 0.000 0.162 438 G C -0.190 174.657 174.900 -0.089 0.000 1.006 438 G CA -0.615 44.440 45.100 -0.074 0.000 0.704 438 G HN 0.233 nan 8.290 nan 0.000 0.487 439 F N 2.576 122.418 119.950 -0.181 0.000 2.608 439 F HA 0.656 5.184 4.527 0.001 0.000 0.380 439 F C 0.663 176.288 175.800 -0.292 0.000 1.083 439 F CA 0.241 58.115 58.000 -0.210 0.000 1.266 439 F CB 0.457 39.334 39.000 -0.205 0.000 1.076 439 F HN 0.196 nan 8.300 nan 0.000 0.574 440 R N 3.730 123.406 120.500 -1.373 0.000 2.855 440 R HA 0.397 4.737 4.340 0.001 0.000 0.266 440 R C 0.244 175.686 176.300 -1.431 0.000 1.034 440 R CA -0.707 54.689 56.100 -1.174 0.000 0.944 440 R CB 0.766 30.722 30.300 -0.573 0.000 1.219 440 R HN 0.535 nan 8.270 nan 0.000 0.474 441 F N 0.834 120.370 119.950 -0.689 0.000 2.269 441 F HA -0.057 4.471 4.527 0.001 0.000 0.301 441 F C 2.090 177.731 175.800 -0.265 0.000 1.082 441 F CA 1.028 58.766 58.000 -0.436 0.000 1.360 441 F CB -0.205 38.737 39.000 -0.097 0.000 1.041 441 F HN 0.440 nan 8.300 nan 0.000 0.512 442 K N 0.777 121.115 120.400 -0.103 0.000 2.160 442 K HA -0.230 4.091 4.320 0.001 0.000 0.206 442 K C 1.564 178.131 176.600 -0.055 0.000 1.047 442 K CA 1.739 57.987 56.287 -0.065 0.000 0.930 442 K CB -0.395 32.043 32.500 -0.103 0.000 0.720 442 K HN 0.384 nan 8.250 nan 0.000 0.450 443 N N -0.657 117.930 118.700 -0.189 0.000 2.166 443 N HA -0.172 4.569 4.740 0.001 0.000 0.186 443 N C 1.550 177.170 175.510 0.183 0.000 1.019 443 N CA 1.068 54.082 53.050 -0.060 0.000 0.856 443 N CB -0.178 38.235 38.487 -0.123 0.000 0.993 443 N HN 0.130 nan 8.380 nan 0.000 0.426 444 Y N 1.229 121.669 120.300 0.233 0.000 2.069 444 Y HA -0.177 4.374 4.550 0.001 0.000 0.278 444 Y C 2.652 178.625 175.900 0.121 0.000 1.175 444 Y CA 1.256 59.501 58.100 0.242 0.000 1.134 444 Y CB -1.216 37.388 38.460 0.241 0.000 0.965 444 Y HN 0.081 nan 8.280 nan 0.000 0.498 445 G N -0.549 108.393 108.800 0.237 0.000 2.446 445 G HA2 -0.251 3.709 3.960 0.001 0.000 0.217 445 G HA3 -0.251 3.709 3.960 0.001 0.000 0.217 445 G C 1.531 176.471 174.900 0.066 0.000 1.168 445 G CA 1.054 46.222 45.100 0.112 0.000 0.771 445 G HN 0.466 nan 8.290 nan 0.000 0.551 446 E N 0.056 120.280 120.200 0.040 0.000 2.097 446 E HA -0.143 4.208 4.350 0.001 0.000 0.196 446 E C 2.450 179.024 176.600 -0.043 0.000 1.000 446 E CA 0.851 57.242 56.400 -0.015 0.000 0.804 446 E CB -0.177 29.500 29.700 -0.038 0.000 0.740 446 E HN 0.509 nan 8.360 nan 0.000 0.454 447 I N 0.564 121.141 120.570 0.011 0.000 2.133 447 I HA -0.266 3.905 4.170 0.001 0.000 0.238 447 I C 2.142 178.223 176.117 -0.060 0.000 1.074 447 I CA 0.671 61.948 61.300 -0.039 0.000 1.342 447 I CB -0.164 37.937 38.000 0.169 0.000 1.053 447 I HN 0.122 nan 8.210 nan 0.000 0.404 448 L N 0.199 121.470 121.223 0.079 0.000 2.043 448 L HA -0.201 4.140 4.340 0.001 0.000 0.212 448 L C 2.579 179.460 176.870 0.018 0.000 1.075 448 L CA 1.619 56.521 54.840 0.104 0.000 0.752 448 L CB -1.458 40.704 42.059 0.173 0.000 0.891 448 L HN 0.106 nan 8.230 nan 0.000 0.432 449 V N 0.146 120.062 119.914 0.004 0.000 2.219 449 V HA -0.356 3.765 4.120 0.001 0.000 0.248 449 V C 2.750 178.805 176.094 -0.064 0.000 1.053 449 V CA 2.086 64.378 62.300 -0.013 0.000 1.009 449 V CB -1.165 30.649 31.823 -0.016 0.000 0.636 449 V HN 0.517 nan 8.190 nan 0.000 0.445 450 A N -0.941 121.803 122.820 -0.126 0.000 1.898 450 A HA -0.153 4.168 4.320 0.001 0.000 0.216 450 A C 2.253 179.685 177.584 -0.254 0.000 1.181 450 A CA 1.537 53.473 52.037 -0.168 0.000 0.620 450 A CB -0.413 18.469 19.000 -0.196 0.000 0.819 450 A HN 0.402 nan 8.150 nan 0.000 0.442 451 K N -0.523 119.615 120.400 -0.437 0.000 2.025 451 K HA -0.020 4.301 4.320 0.001 0.000 0.207 451 K C 2.039 178.338 176.600 -0.501 0.000 1.049 451 K CA 1.185 56.988 56.287 -0.806 0.000 0.933 451 K CB -0.579 30.795 32.500 -1.877 0.000 0.714 451 K HN 0.416 nan 8.250 nan 0.000 0.438 452 M N 1.169 120.673 119.600 -0.159 0.000 2.106 452 M HA -0.197 4.284 4.480 0.001 0.000 0.259 452 M C 1.850 178.269 176.300 0.198 0.000 1.068 452 M CA 1.677 57.126 55.300 0.248 0.000 1.100 452 M CB -0.796 31.950 32.600 0.243 0.000 1.351 452 M HN 0.116 nan 8.290 nan 0.000 0.404 453 K N -0.470 119.960 120.400 0.051 0.000 2.155 453 K HA -0.134 4.187 4.320 0.001 0.000 0.203 453 K C 2.013 178.613 176.600 0.000 0.000 1.052 453 K CA 0.859 57.172 56.287 0.044 0.000 0.948 453 K CB -0.070 32.435 32.500 0.009 0.000 0.728 453 K HN 0.426 nan 8.250 nan 0.000 0.448 454 E N 0.918 121.073 120.200 -0.075 0.000 2.046 454 E HA -0.158 4.192 4.350 0.001 0.000 0.190 454 E C 1.541 178.062 176.600 -0.132 0.000 0.982 454 E CA 0.910 57.246 56.400 -0.105 0.000 0.800 454 E CB 0.354 29.966 29.700 -0.147 0.000 0.756 454 E HN 0.167 nan 8.360 nan 0.000 0.449 455 E N -0.352 119.729 120.200 -0.199 0.000 2.216 455 E HA -0.066 4.284 4.350 0.001 0.000 0.192 455 E C 0.234 176.425 176.600 -0.681 0.000 0.988 455 E CA 0.612 56.735 56.400 -0.462 0.000 0.834 455 E CB 0.095 29.427 29.700 -0.613 0.000 0.772 455 E HN 0.237 nan 8.360 nan 0.000 0.479 456 F N 1.767 121.725 119.950 0.013 0.000 2.530 456 F HA 0.286 4.814 4.527 0.001 0.000 0.318 456 F C -2.170 173.618 175.800 -0.019 0.000 1.356 456 F CA -2.525 55.464 58.000 -0.019 0.000 1.135 456 F CB 0.775 39.764 39.000 -0.019 0.000 1.315 456 F HN -0.215 nan 8.300 nan 0.000 0.549 457 P HA 0.196 nan 4.420 nan 0.000 0.271 457 P C 0.663 177.995 177.300 0.052 0.000 1.218 457 P CA 1.021 64.154 63.100 0.054 0.000 0.780 457 P CB 2.016 33.723 31.700 0.011 0.000 0.901 458 A N 2.770 125.618 122.820 0.046 0.000 3.250 458 A HA -0.263 4.058 4.320 0.001 0.000 0.237 458 A C 1.618 179.224 177.584 0.037 0.000 0.676 458 A CA 1.347 53.401 52.037 0.028 0.000 1.294 458 A CB -2.855 16.149 19.000 0.007 0.000 1.250 458 A HN 0.482 nan 8.150 nan 0.000 0.686 459 I N -0.199 120.413 120.570 0.070 0.000 2.439 459 I HA -0.023 4.147 4.170 0.001 0.000 0.251 459 I C 0.307 176.460 176.117 0.061 0.000 1.139 459 I CA 1.406 62.755 61.300 0.081 0.000 1.438 459 I CB 0.138 38.181 38.000 0.070 0.000 1.085 459 I HN 0.249 nan 8.210 nan 0.000 0.427 460 V N 1.709 121.677 119.914 0.091 0.000 2.378 460 V HA 0.189 4.309 4.120 0.001 0.000 0.288 460 V C -0.293 175.856 176.094 0.091 0.000 1.016 460 V CA -0.385 61.972 62.300 0.095 0.000 0.840 460 V CB 1.561 33.470 31.823 0.143 0.000 0.994 460 V HN 0.141 nan 8.190 nan 0.000 0.431 461 D N 3.087 123.549 120.400 0.104 0.000 2.454 461 D HA 0.177 4.818 4.640 0.001 0.000 0.219 461 D C 0.565 176.956 176.300 0.151 0.000 1.081 461 D CA 0.225 54.301 54.000 0.126 0.000 0.867 461 D CB 0.967 41.858 40.800 0.151 0.000 1.054 461 D HN 0.449 nan 8.370 nan 0.000 0.500 462 R N 0.612 121.227 120.500 0.192 0.000 2.725 462 R HA 0.681 5.022 4.340 0.001 0.000 0.277 462 R C -1.076 175.300 176.300 0.127 0.000 0.987 462 R CA -0.749 55.436 56.100 0.143 0.000 0.901 462 R CB 2.829 33.202 30.300 0.123 0.000 1.207 462 R HN -0.251 nan 8.270 nan 0.000 0.463 463 V N 1.635 121.599 119.914 0.083 0.000 2.686 463 V HA 0.369 4.490 4.120 0.001 0.000 0.306 463 V C -0.566 175.560 176.094 0.054 0.000 1.065 463 V CA -0.817 61.530 62.300 0.077 0.000 0.894 463 V CB 2.056 33.921 31.823 0.070 0.000 1.004 463 V HN 0.688 nan 8.190 nan 0.000 0.424 464 Q N 2.530 122.364 119.800 0.056 0.000 2.353 464 Q HA 0.806 5.147 4.340 0.001 0.000 0.268 464 Q C -1.927 174.090 176.000 0.027 0.000 1.045 464 Q CA -0.529 55.294 55.803 0.034 0.000 0.811 464 Q CB 2.534 31.292 28.738 0.033 0.000 1.305 464 Q HN 0.605 nan 8.270 nan 0.000 0.447 465 V N 2.800 122.712 119.914 -0.002 0.000 2.483 465 V HA 0.482 4.603 4.120 0.001 0.000 0.297 465 V C -0.691 175.341 176.094 -0.104 0.000 1.027 465 V CA -0.569 61.717 62.300 -0.023 0.000 0.855 465 V CB 1.995 33.823 31.823 0.008 0.000 0.995 465 V HN 0.850 nan 8.190 nan 0.000 0.424 466 T N 5.954 120.394 114.554 -0.191 0.000 2.829 466 T HA 0.692 5.043 4.350 0.001 0.000 0.280 466 T C -0.388 173.978 174.700 -0.557 0.000 0.999 466 T CA -0.232 61.603 62.100 -0.442 0.000 0.983 466 T CB 1.554 70.007 68.868 -0.690 0.000 0.968 466 T HN 0.388 nan 8.240 nan 0.000 0.446 467 I N 3.414 123.657 120.570 -0.545 0.000 2.359 467 I HA 0.350 4.521 4.170 0.001 0.000 0.284 467 I C -0.939 174.875 176.117 -0.504 0.000 1.018 467 I CA -0.622 60.420 61.300 -0.430 0.000 1.173 467 I CB 0.580 38.473 38.000 -0.178 0.000 1.326 467 I HN 0.519 nan 8.210 nan 0.000 0.462 468 F N 4.205 124.048 119.950 -0.178 0.000 2.404 468 F HA 0.265 4.793 4.527 0.001 0.000 0.358 468 F C 1.460 177.179 175.800 -0.135 0.000 1.120 468 F CA -0.506 57.411 58.000 -0.138 0.000 1.144 468 F CB 1.102 40.026 39.000 -0.126 0.000 1.133 468 F HN 0.471 nan 8.300 nan 0.000 0.495 469 T N -2.586 112.015 114.554 0.078 0.000 3.003 469 T HA 0.093 4.444 4.350 0.001 0.000 0.261 469 T C 0.019 174.780 174.700 0.102 0.000 1.003 469 T CA -0.329 61.799 62.100 0.047 0.000 0.917 469 T CB -0.390 68.480 68.868 0.003 0.000 1.084 469 T HN 0.416 nan 8.240 nan 0.000 0.522 470 D N 1.560 122.040 120.400 0.133 0.000 2.351 470 D HA 0.132 4.773 4.640 0.001 0.000 0.251 470 D C 1.212 177.575 176.300 0.105 0.000 1.137 470 D CA -0.358 53.710 54.000 0.115 0.000 0.879 470 D CB 1.323 42.194 40.800 0.117 0.000 1.181 470 D HN 0.297 nan 8.370 nan 0.000 0.448 471 E N 3.207 123.457 120.200 0.083 0.000 2.085 471 E HA -0.265 4.085 4.350 0.001 0.000 0.194 471 E C 1.798 178.437 176.600 0.064 0.000 0.994 471 E CA 1.280 57.724 56.400 0.073 0.000 0.801 471 E CB -0.118 29.618 29.700 0.061 0.000 0.743 471 E HN 0.640 nan 8.360 nan 0.000 0.453 472 A N 1.702 124.556 122.820 0.057 0.000 1.849 472 A HA -0.271 4.050 4.320 0.001 0.000 0.217 472 A C 2.110 179.718 177.584 0.039 0.000 1.202 472 A CA 2.095 54.158 52.037 0.043 0.000 0.629 472 A CB -0.623 18.402 19.000 0.041 0.000 0.834 472 A HN 0.189 nan 8.150 nan 0.000 0.447 473 K N -0.531 119.894 120.400 0.041 0.000 2.152 473 K HA -0.101 4.220 4.320 0.001 0.000 0.206 473 K C 1.958 178.500 176.600 -0.097 0.000 1.048 473 K CA 1.375 57.638 56.287 -0.039 0.000 0.933 473 K CB -0.486 31.982 32.500 -0.054 0.000 0.721 473 K HN 0.359 nan 8.250 nan 0.000 0.447 474 V N 1.566 121.503 119.914 0.039 0.000 2.261 474 V HA -0.254 3.867 4.120 0.001 0.000 0.246 474 V C 2.338 178.545 176.094 0.189 0.000 1.047 474 V CA 1.653 64.050 62.300 0.162 0.000 1.015 474 V CB -0.376 31.538 31.823 0.152 0.000 0.642 474 V HN 0.313 nan 8.190 nan 0.000 0.446 475 K N -0.514 119.945 120.400 0.099 0.000 2.127 475 K HA -0.289 4.032 4.320 0.001 0.000 0.208 475 K C 2.250 178.849 176.600 -0.002 0.000 1.047 475 K CA 2.117 58.434 56.287 0.050 0.000 0.927 475 K CB -0.145 32.371 32.500 0.027 0.000 0.716 475 K HN 0.552 nan 8.250 nan 0.000 0.450 476 E N -0.693 119.501 120.200 -0.010 0.000 2.015 476 E HA -0.188 4.163 4.350 0.001 0.000 0.191 476 E C 1.832 178.313 176.600 -0.198 0.000 0.991 476 E CA 1.376 57.716 56.400 -0.099 0.000 0.802 476 E CB -0.058 29.598 29.700 -0.073 0.000 0.759 476 E HN 0.341 nan 8.360 nan 0.000 0.447 477 Y N -0.029 120.130 120.300 -0.236 0.000 2.395 477 Y HA -0.086 4.465 4.550 0.001 0.000 0.293 477 Y C 2.269 177.805 175.900 -0.607 0.000 1.123 477 Y CA 1.076 58.985 58.100 -0.317 0.000 1.227 477 Y CB -0.137 38.178 38.460 -0.242 0.000 1.012 477 Y HN 0.163 nan 8.280 nan 0.000 0.552 478 M N 0.006 119.398 119.600 -0.347 0.000 2.260 478 M HA -0.236 4.244 4.480 0.001 0.000 0.261 478 M C 1.714 177.767 176.300 -0.413 0.000 1.066 478 M CA 1.703 56.694 55.300 -0.515 0.000 1.082 478 M CB 0.074 32.640 32.600 -0.056 0.000 1.388 478 M HN 0.002 nan 8.290 nan 0.000 0.419 479 E N -0.362 119.654 120.200 -0.306 0.000 2.072 479 E HA -0.108 4.243 4.350 0.001 0.000 0.190 479 E C 2.152 178.566 176.600 -0.310 0.000 0.982 479 E CA 1.408 57.653 56.400 -0.258 0.000 0.803 479 E CB -0.623 28.954 29.700 -0.204 0.000 0.755 479 E HN 0.455 nan 8.360 nan 0.000 0.453 480 V N 1.739 121.437 119.914 -0.360 0.000 2.287 480 V HA -0.295 3.826 4.120 0.001 0.000 0.248 480 V C 2.460 178.315 176.094 -0.398 0.000 1.053 480 V CA 2.052 64.155 62.300 -0.329 0.000 1.027 480 V CB -0.981 30.664 31.823 -0.298 0.000 0.646 480 V HN 0.257 nan 8.190 nan 0.000 0.447 481 A N 0.035 122.508 122.820 -0.579 0.000 1.877 481 A HA -0.229 4.092 4.320 0.001 0.000 0.216 481 A C 2.344 179.248 177.584 -1.134 0.000 1.186 481 A CA 1.863 53.404 52.037 -0.827 0.000 0.620 481 A CB -0.546 17.909 19.000 -0.909 0.000 0.822 481 A HN 0.529 nan 8.150 nan 0.000 0.443 482 R N -0.519 119.544 120.500 -0.729 0.000 2.117 482 R HA -0.213 4.128 4.340 0.001 0.000 0.243 482 R C 2.229 178.344 176.300 -0.310 0.000 1.143 482 R CA 1.652 57.491 56.100 -0.435 0.000 0.968 482 R CB -0.352 29.836 30.300 -0.186 0.000 0.863 482 R HN 0.818 nan 8.270 nan 0.000 0.444 483 E N 1.103 121.128 120.200 -0.292 0.000 2.031 483 E HA -0.179 4.172 4.350 0.001 0.000 0.193 483 E C 1.695 178.206 176.600 -0.147 0.000 0.994 483 E CA 1.173 57.466 56.400 -0.179 0.000 0.800 483 E CB 0.210 29.811 29.700 -0.164 0.000 0.752 483 E HN 0.081 nan 8.360 nan 0.000 0.447 484 K N -0.133 120.142 120.400 -0.210 0.000 2.097 484 K HA -0.159 4.162 4.320 0.001 0.000 0.206 484 K C 2.126 178.757 176.600 0.052 0.000 1.049 484 K CA 1.148 57.380 56.287 -0.091 0.000 0.933 484 K CB -0.344 32.101 32.500 -0.092 0.000 0.717 484 K HN 0.320 nan 8.250 nan 0.000 0.442 485 Y N 1.644 121.932 120.300 -0.020 0.000 2.200 485 Y HA -0.107 4.443 4.550 0.001 0.000 0.290 485 Y C 2.173 178.066 175.900 -0.011 0.000 1.137 485 Y CA 0.639 58.733 58.100 -0.009 0.000 1.163 485 Y CB -0.492 37.962 38.460 -0.010 0.000 0.988 485 Y HN -0.034 nan 8.280 nan 0.000 0.518 486 K N 0.573 121.044 120.400 0.119 0.000 2.103 486 K HA -0.132 4.189 4.320 0.001 0.000 0.204 486 K C 1.813 178.437 176.600 0.039 0.000 1.052 486 K CA 1.107 57.431 56.287 0.060 0.000 0.945 486 K CB -0.361 32.152 32.500 0.021 0.000 0.722 486 K HN 0.497 nan 8.250 nan 0.000 0.443 487 E N 0.824 121.040 120.200 0.028 0.000 2.085 487 E HA -0.179 4.172 4.350 0.001 0.000 0.194 487 E C 2.256 178.877 176.600 0.035 0.000 0.994 487 E CA 1.197 57.610 56.400 0.021 0.000 0.801 487 E CB -0.072 29.633 29.700 0.008 0.000 0.743 487 E HN 0.245 nan 8.360 nan 0.000 0.453 488 R N 0.634 121.171 120.500 0.062 0.000 2.066 488 R HA -0.117 4.224 4.340 0.001 0.000 0.232 488 R C 2.009 178.339 176.300 0.050 0.000 1.131 488 R CA 1.462 57.601 56.100 0.065 0.000 0.955 488 R CB -0.142 30.216 30.300 0.096 0.000 0.851 488 R HN 0.092 nan 8.270 nan 0.000 0.432 489 D N 0.447 120.878 120.400 0.051 0.000 2.190 489 D HA -0.149 4.491 4.640 0.001 0.000 0.200 489 D C 1.258 177.570 176.300 0.019 0.000 0.992 489 D CA 1.333 55.352 54.000 0.031 0.000 0.854 489 D CB -0.197 40.623 40.800 0.032 0.000 0.936 489 D HN 0.169 nan 8.370 nan 0.000 0.462 490 D N -0.406 120.006 120.400 0.019 0.000 2.137 490 D HA 0.009 4.650 4.640 0.001 0.000 0.202 490 D C 2.162 178.465 176.300 0.006 0.000 0.970 490 D CA 0.449 54.454 54.000 0.008 0.000 0.837 490 D CB -0.047 40.757 40.800 0.006 0.000 0.981 490 D HN 0.139 nan 8.370 nan 0.000 0.475 491 R N -0.003 120.505 120.500 0.012 0.000 2.083 491 R HA -0.131 4.210 4.340 0.001 0.000 0.237 491 R C 2.203 178.508 176.300 0.008 0.000 1.137 491 R CA 1.113 57.220 56.100 0.011 0.000 0.951 491 R CB -0.435 29.878 30.300 0.021 0.000 0.851 491 R HN 0.177 nan 8.270 nan 0.000 0.434 492 M N 0.902 120.512 119.600 0.016 0.000 2.149 492 M HA -0.165 4.316 4.480 0.001 0.000 0.261 492 M C 2.285 178.580 176.300 -0.007 0.000 1.064 492 M CA 1.578 56.885 55.300 0.012 0.000 1.102 492 M CB -0.211 32.404 32.600 0.024 0.000 1.369 492 M HN -0.018 nan 8.290 nan 0.000 0.408 493 R N -0.817 119.678 120.500 -0.007 0.000 2.148 493 R HA -0.055 4.286 4.340 0.001 0.000 0.227 493 R C 1.562 177.848 176.300 -0.024 0.000 1.103 493 R CA 1.499 57.590 56.100 -0.016 0.000 0.983 493 R CB -0.630 29.661 30.300 -0.015 0.000 0.874 493 R HN 0.487 nan 8.270 nan 0.000 0.451 494 G N 0.588 109.375 108.800 -0.023 0.000 3.141 494 G HA2 0.097 4.058 3.960 0.001 0.000 0.218 494 G HA3 0.097 4.058 3.960 0.001 0.000 0.218 494 G C 0.313 175.185 174.900 -0.046 0.000 1.170 494 G CA -0.411 44.672 45.100 -0.029 0.000 0.769 494 G HN 0.201 nan 8.290 nan 0.000 0.546 495 L N 2.966 124.153 121.223 -0.061 0.000 2.321 495 L HA 0.421 4.762 4.340 0.001 0.000 0.272 495 L C 0.035 176.818 176.870 -0.144 0.000 1.050 495 L CA -0.201 54.568 54.840 -0.118 0.000 0.893 495 L CB 0.800 42.793 42.059 -0.110 0.000 1.272 495 L HN 0.178 nan 8.230 nan 0.000 0.435 496 T N -1.726 112.746 114.554 -0.137 0.000 2.926 496 T HA 0.326 4.677 4.350 0.001 0.000 0.289 496 T C 0.600 175.242 174.700 -0.097 0.000 1.054 496 T CA -0.747 61.293 62.100 -0.100 0.000 1.015 496 T CB 1.888 70.725 68.868 -0.050 0.000 1.167 496 T HN 0.295 nan 8.240 nan 0.000 0.526 497 D N 0.383 120.774 120.400 -0.015 0.000 2.144 497 D HA -0.038 4.603 4.640 0.001 0.000 0.199 497 D C 1.803 178.181 176.300 0.130 0.000 0.984 497 D CA 1.288 55.354 54.000 0.111 0.000 0.834 497 D CB -0.077 40.874 40.800 0.253 0.000 0.955 497 D HN 0.692 nan 8.370 nan 0.000 0.465 498 E N -0.481 119.775 120.200 0.092 0.000 2.072 498 E HA -0.096 4.255 4.350 0.001 0.000 0.191 498 E C 2.053 178.669 176.600 0.027 0.000 0.985 498 E CA 1.505 57.957 56.400 0.086 0.000 0.801 498 E CB -0.517 29.227 29.700 0.074 0.000 0.750 498 E HN 0.386 nan 8.360 nan 0.000 0.452 499 T N -1.532 113.015 114.554 -0.012 0.000 3.160 499 T HA 0.064 4.415 4.350 0.001 0.000 0.257 499 T C 0.781 175.449 174.700 -0.053 0.000 1.147 499 T CA 0.244 62.326 62.100 -0.031 0.000 1.064 499 T CB -0.683 68.160 68.868 -0.040 0.000 0.949 499 T HN 0.031 nan 8.240 nan 0.000 0.526 500 V N -0.276 119.594 119.914 -0.074 0.000 2.850 500 V HA 0.685 4.805 4.120 0.001 0.000 0.315 500 V C 0.315 176.363 176.094 -0.076 0.000 1.064 500 V CA -0.623 61.639 62.300 -0.062 0.000 0.979 500 V CB 1.918 33.663 31.823 -0.129 0.000 1.039 500 V HN 0.271 nan 8.190 nan 0.000 0.452 501 D N -0.297 120.070 120.400 -0.055 0.000 2.433 501 D HA 0.218 4.859 4.640 0.001 0.000 0.211 501 D C 0.347 176.493 176.300 -0.256 0.000 1.114 501 D CA 0.001 53.911 54.000 -0.150 0.000 0.837 501 D CB 0.474 41.229 40.800 -0.075 0.000 0.984 501 D HN 0.617 nan 8.370 nan 0.000 0.505 502 T N 0.348 114.799 114.554 -0.172 0.000 2.952 502 T HA 0.460 4.811 4.350 0.001 0.000 0.305 502 T C -1.172 173.572 174.700 0.074 0.000 1.064 502 T CA -0.584 61.381 62.100 -0.226 0.000 1.008 502 T CB 1.432 70.202 68.868 -0.162 0.000 1.078 502 T HN -0.175 nan 8.240 nan 0.000 0.459 503 F N 1.220 121.005 119.950 -0.275 0.000 2.585 503 F HA 0.773 5.300 4.527 0.001 0.000 0.350 503 F C -0.502 174.941 175.800 -0.594 0.000 1.074 503 F CA -1.868 56.064 58.000 -0.114 0.000 1.032 503 F CB 0.947 39.839 39.000 -0.182 0.000 1.330 503 F HN 0.479 nan 8.300 nan 0.000 0.495 504 Y N -1.038 119.331 120.300 0.115 0.000 2.524 504 Y HA 0.460 5.011 4.550 0.001 0.000 0.347 504 Y C 0.049 175.865 175.900 -0.140 0.000 1.005 504 Y CA -1.234 56.784 58.100 -0.137 0.000 1.025 504 Y CB 1.912 40.235 38.460 -0.228 0.000 1.275 504 Y HN 0.492 nan 8.280 nan 0.000 0.460 505 S N 0.293 115.940 115.700 -0.088 0.000 2.652 505 S HA 0.646 5.117 4.470 0.001 0.000 0.270 505 S C -0.700 173.916 174.600 0.026 0.000 1.243 505 S CA -0.594 57.542 58.200 -0.108 0.000 0.999 505 S CB 1.586 64.588 63.200 -0.329 0.000 0.973 505 S HN 0.819 nan 8.310 nan 0.000 0.544 506 C N 2.065 121.396 119.300 0.051 0.000 2.446 506 C HA 0.666 5.126 4.460 0.001 0.000 0.329 506 C C 0.347 175.376 174.990 0.066 0.000 1.166 506 C CA -0.230 58.825 59.018 0.061 0.000 1.341 506 C CB 0.223 27.997 27.740 0.058 0.000 1.970 506 C HN 1.088 nan 8.230 nan 0.000 0.452 507 V N 4.736 124.703 119.914 0.087 0.000 2.988 507 V HA 0.288 4.409 4.120 0.001 0.000 0.356 507 V C 1.038 177.185 176.094 0.088 0.000 1.380 507 V CA 0.223 62.573 62.300 0.083 0.000 1.184 507 V CB -0.150 31.733 31.823 0.100 0.000 1.204 507 V HN 0.757 nan 8.190 nan 0.000 0.530 508 L N 0.707 121.977 121.223 0.078 0.000 2.083 508 L HA -0.035 4.306 4.340 0.001 0.000 0.209 508 L C 2.179 179.085 176.870 0.061 0.000 1.083 508 L CA 2.406 57.282 54.840 0.060 0.000 0.752 508 L CB -0.559 41.519 42.059 0.031 0.000 0.899 508 L HN 0.469 nan 8.230 nan 0.000 0.433 509 C N -0.175 119.180 119.300 0.091 0.000 2.511 509 C HA -0.027 4.434 4.460 0.001 0.000 0.277 509 C C 2.401 177.486 174.990 0.158 0.000 1.451 509 C CA 0.124 59.200 59.018 0.098 0.000 1.735 509 C CB -1.425 26.392 27.740 0.129 0.000 1.704 509 C HN 0.590 nan 8.230 nan 0.000 0.571 510 Q N 1.030 120.916 119.800 0.144 0.000 2.436 510 Q HA -0.113 4.228 4.340 0.001 0.000 0.209 510 Q C 2.223 178.294 176.000 0.118 0.000 0.965 510 Q CA 1.485 57.373 55.803 0.141 0.000 0.910 510 Q CB -0.150 28.651 28.738 0.106 0.000 0.980 510 Q HN 0.888 nan 8.270 nan 0.000 0.491 511 S N -0.367 115.405 115.700 0.119 0.000 2.419 511 S HA -0.126 4.345 4.470 0.001 0.000 0.235 511 S C 1.301 175.825 174.600 -0.127 0.000 1.019 511 S CA 1.007 59.248 58.200 0.068 0.000 0.982 511 S CB -0.144 63.129 63.200 0.122 0.000 0.789 511 S HN 0.312 nan 8.310 nan 0.000 0.490 512 F N 1.115 121.073 119.950 0.013 0.000 2.711 512 F HA 0.586 5.114 4.527 0.002 0.000 0.296 512 F C 1.216 177.193 175.800 0.295 0.000 1.096 512 F CA -0.145 57.932 58.000 0.129 0.000 1.280 512 F CB 0.402 39.388 39.000 -0.024 0.000 1.060 512 F HN 0.268 nan 8.300 nan 0.000 0.608 513 A N 0.571 123.598 122.820 0.344 0.000 2.893 513 A HA 0.524 4.845 4.320 0.001 0.000 0.333 513 A C -2.113 175.618 177.584 0.246 0.000 1.152 513 A CA -1.102 51.122 52.037 0.312 0.000 0.782 513 A CB 0.055 19.236 19.000 0.303 0.000 1.108 513 A HN -0.067 nan 8.150 nan 0.000 0.469 514 P HA -0.088 nan 4.420 nan 0.000 0.222 514 P C 0.576 177.943 177.300 0.113 0.000 1.147 514 P CA 1.248 64.431 63.100 0.138 0.000 0.790 514 P CB 0.278 32.050 31.700 0.121 0.000 0.780 515 N N -2.555 116.224 118.700 0.131 0.000 2.187 515 N HA 0.006 4.747 4.740 0.001 0.000 0.212 515 N C 0.159 175.749 175.510 0.133 0.000 1.152 515 N CA -0.095 53.012 53.050 0.096 0.000 0.872 515 N CB -0.428 38.103 38.487 0.073 0.000 1.025 515 N HN 0.268 nan 8.380 nan 0.000 0.514 516 H N 0.997 120.128 119.070 0.103 0.000 2.764 516 H HA 0.324 4.881 4.556 0.001 0.000 0.341 516 H C -0.674 174.721 175.328 0.112 0.000 1.072 516 H CA 0.097 56.214 56.048 0.115 0.000 1.444 516 H CB 0.652 30.496 29.762 0.138 0.000 1.458 516 H HN -0.289 nan 8.280 nan 0.000 0.572 517 V N 5.352 124.828 119.914 -0.730 0.000 2.577 517 V HA 0.222 4.342 4.120 0.001 0.000 0.303 517 V C -0.197 175.545 176.094 -0.587 0.000 1.042 517 V CA -0.950 61.074 62.300 -0.461 0.000 0.872 517 V CB 1.346 33.124 31.823 -0.075 0.000 0.998 517 V HN 0.891 nan 8.190 nan 0.000 0.423 518 C N 5.519 124.638 119.300 -0.301 0.000 2.405 518 C HA 0.579 5.040 4.460 0.001 0.000 0.365 518 C C 0.128 175.120 174.990 0.003 0.000 1.233 518 C CA -0.622 58.371 59.018 -0.042 0.000 2.230 518 C CB 0.613 28.415 27.740 0.102 0.000 2.443 518 C HN 0.611 nan 8.230 nan 0.000 0.556 519 I N 3.649 124.229 120.570 0.018 0.000 2.328 519 I HA 0.301 4.472 4.170 0.001 0.000 0.287 519 I C -0.106 175.991 176.117 -0.034 0.000 1.012 519 I CA -0.050 61.248 61.300 -0.003 0.000 1.195 519 I CB 0.837 38.840 38.000 0.004 0.000 1.350 519 I HN 0.297 nan 8.210 nan 0.000 0.464 520 V N 6.256 126.176 119.914 0.009 0.000 2.398 520 V HA 0.530 4.651 4.120 0.001 0.000 0.286 520 V C 0.530 176.668 176.094 0.073 0.000 1.026 520 V CA -0.366 61.965 62.300 0.052 0.000 0.868 520 V CB 1.736 33.635 31.823 0.127 0.000 0.982 520 V HN 0.905 nan 8.190 nan 0.000 0.443 521 T N 2.446 116.962 114.554 -0.064 0.000 2.916 521 T HA 0.519 4.870 4.350 0.001 0.000 0.292 521 T C -2.193 172.466 174.700 -0.069 0.000 1.064 521 T CA -2.197 59.750 62.100 -0.255 0.000 1.011 521 T CB 2.391 70.749 68.868 -0.850 0.000 1.152 521 T HN 0.284 nan 8.240 nan 0.000 0.510 522 P HA -0.094 nan 4.420 nan 0.000 0.216 522 P C 0.753 178.017 177.300 -0.059 0.000 1.154 522 P CA 1.343 64.261 63.100 -0.303 0.000 0.865 522 P CB 0.082 31.507 31.700 -0.459 0.000 0.789 523 E N -1.914 118.267 120.200 -0.031 0.000 2.465 523 E HA 0.141 4.492 4.350 0.001 0.000 0.195 523 E C 0.512 177.240 176.600 0.213 0.000 1.028 523 E CA -0.130 56.317 56.400 0.079 0.000 0.899 523 E CB 0.241 29.975 29.700 0.056 0.000 1.032 523 E HN 0.047 nan 8.360 nan 0.000 0.468 524 R N 1.446 122.019 120.500 0.122 0.000 2.680 524 R HA 0.186 4.527 4.340 0.001 0.000 0.278 524 R C -0.884 175.437 176.300 0.035 0.000 1.582 524 R CA -0.305 55.823 56.100 0.047 0.000 1.177 524 R CB 1.356 31.583 30.300 -0.121 0.000 1.232 524 R HN -0.025 nan 8.270 nan 0.000 0.528 525 V N 2.835 122.810 119.914 0.102 0.000 3.178 525 V HA 0.160 4.281 4.120 0.001 0.000 0.306 525 V C 0.905 177.042 176.094 0.070 0.000 1.107 525 V CA 0.907 63.273 62.300 0.109 0.000 1.195 525 V CB 0.961 32.870 31.823 0.142 0.000 0.993 525 V HN 0.834 nan 8.190 nan 0.000 0.493 526 G N 4.067 112.918 108.800 0.086 0.000 2.554 526 G HA2 0.236 4.197 3.960 0.001 0.000 0.238 526 G HA3 0.236 4.197 3.960 0.001 0.000 0.238 526 G C 0.582 175.549 174.900 0.110 0.000 1.259 526 G CA 0.065 45.220 45.100 0.092 0.000 0.843 526 G HN 1.240 nan 8.290 nan 0.000 0.582 527 L N 0.742 122.051 121.223 0.143 0.000 2.362 527 L HA -0.029 4.312 4.340 0.001 0.000 0.219 527 L C 2.505 179.479 176.870 0.173 0.000 1.134 527 L CA 1.514 56.463 54.840 0.182 0.000 0.807 527 L CB -1.436 40.767 42.059 0.240 0.000 0.927 527 L HN 0.592 nan 8.230 nan 0.000 0.447 528 C N -1.320 118.050 119.300 0.117 0.000 2.448 528 C HA 0.625 5.086 4.460 0.001 0.000 0.280 528 C C 2.193 177.212 174.990 0.048 0.000 1.398 528 C CA -0.083 58.970 59.018 0.059 0.000 1.774 528 C CB -0.944 26.808 27.740 0.021 0.000 1.888 528 C HN 0.887 nan 8.230 nan 0.000 0.519 529 G N 0.262 109.104 108.800 0.070 0.000 2.284 529 G HA2 -0.029 3.932 3.960 0.001 0.000 0.216 529 G HA3 -0.029 3.932 3.960 0.001 0.000 0.216 529 G C 0.966 175.901 174.900 0.057 0.000 1.009 529 G CA 0.306 45.444 45.100 0.064 0.000 0.625 529 G HN 1.440 nan 8.290 nan 0.000 0.501 530 A N -0.251 122.594 122.820 0.043 0.000 2.348 530 A HA 0.713 5.034 4.320 0.001 0.000 0.224 530 A C 0.553 178.159 177.584 0.038 0.000 1.227 530 A CA 1.084 53.142 52.037 0.034 0.000 0.885 530 A CB 0.500 19.510 19.000 0.017 0.000 0.933 530 A HN 1.042 nan 8.150 nan 0.000 0.506 531 V N 1.957 121.901 119.914 0.050 0.000 2.385 531 V HA 0.323 4.444 4.120 0.001 0.000 0.277 531 V C 0.140 176.278 176.094 0.073 0.000 1.012 531 V CA -0.240 62.088 62.300 0.047 0.000 0.832 531 V CB 0.961 32.805 31.823 0.035 0.000 1.028 531 V HN 0.494 nan 8.190 nan 0.000 0.436 532 S N 2.747 118.499 115.700 0.087 0.000 2.693 532 S HA 0.349 4.820 4.470 0.001 0.000 0.276 532 S C 0.651 175.352 174.600 0.169 0.000 1.192 532 S CA -0.435 57.850 58.200 0.143 0.000 0.994 532 S CB 1.276 64.569 63.200 0.154 0.000 1.012 532 S HN 0.733 nan 8.310 nan 0.000 0.550 533 W N 1.172 122.496 121.300 0.040 0.000 2.321 533 W HA -0.125 4.536 4.660 0.001 0.000 0.306 533 W C 1.636 178.156 176.519 0.002 0.000 1.217 533 W CA 1.411 58.790 57.345 0.056 0.000 1.257 533 W CB -0.384 29.146 29.460 0.116 0.000 1.145 533 W HN 0.679 nan 8.180 nan 0.000 0.509 534 L N 0.193 121.608 121.223 0.320 0.000 2.027 534 L HA -0.243 4.097 4.340 0.001 0.000 0.206 534 L C 2.409 179.259 176.870 -0.033 0.000 1.074 534 L CA 1.719 56.668 54.840 0.182 0.000 0.745 534 L CB -0.977 41.271 42.059 0.315 0.000 0.898 534 L HN -0.065 nan 8.230 nan 0.000 0.433 535 D N 0.285 120.678 120.400 -0.012 0.000 2.126 535 D HA -0.244 4.396 4.640 0.001 0.000 0.190 535 D C 2.140 178.320 176.300 -0.200 0.000 1.001 535 D CA 1.812 55.773 54.000 -0.066 0.000 0.841 535 D CB -0.045 40.754 40.800 -0.001 0.000 0.949 535 D HN 0.375 nan 8.370 nan 0.000 0.446 536 A N 1.006 123.658 122.820 -0.280 0.000 1.933 536 A HA -0.211 4.110 4.320 0.001 0.000 0.218 536 A C 2.104 179.243 177.584 -0.742 0.000 1.175 536 A CA 2.095 53.881 52.037 -0.419 0.000 0.628 536 A CB -0.476 18.292 19.000 -0.387 0.000 0.814 536 A HN 0.257 nan 8.150 nan 0.000 0.444 537 K N -0.071 119.701 120.400 -1.046 0.000 2.026 537 K HA -0.023 4.297 4.320 0.001 0.000 0.208 537 K C 2.085 178.449 176.600 -0.393 0.000 1.048 537 K CA 1.459 57.171 56.287 -0.958 0.000 0.929 537 K CB -0.441 31.508 32.500 -0.918 0.000 0.713 537 K HN 0.276 nan 8.250 nan 0.000 0.439 538 A N 0.620 123.114 122.820 -0.544 0.000 1.883 538 A HA -0.208 4.113 4.320 0.001 0.000 0.217 538 A C 2.318 179.685 177.584 -0.362 0.000 1.186 538 A CA 2.265 53.771 52.037 -0.886 0.000 0.624 538 A CB -1.230 17.190 19.000 -0.966 0.000 0.822 538 A HN 0.486 nan 8.150 nan 0.000 0.444 539 S N -2.137 113.423 115.700 -0.234 0.000 2.382 539 S HA -0.197 4.274 4.470 0.001 0.000 0.228 539 S C 1.889 176.470 174.600 -0.031 0.000 1.027 539 S CA 1.633 59.767 58.200 -0.110 0.000 0.991 539 S CB -0.546 62.596 63.200 -0.098 0.000 0.823 539 S HN 0.653 nan 8.310 nan 0.000 0.469 540 Y N 2.299 122.495 120.300 -0.173 0.000 2.165 540 Y HA -0.081 4.469 4.550 0.001 0.000 0.286 540 Y C 2.254 178.172 175.900 0.031 0.000 1.155 540 Y CA 2.018 60.073 58.100 -0.076 0.000 1.164 540 Y CB -0.439 37.970 38.460 -0.085 0.000 0.978 540 Y HN 0.267 nan 8.280 nan 0.000 0.513 541 E N 0.059 120.182 120.200 -0.128 0.000 2.204 541 E HA -0.136 4.215 4.350 0.001 0.000 0.194 541 E C 2.359 178.930 176.600 -0.050 0.000 0.989 541 E CA 1.186 57.535 56.400 -0.086 0.000 0.824 541 E CB -0.203 29.538 29.700 0.067 0.000 0.756 541 E HN 0.597 nan 8.360 nan 0.000 0.477 542 I N 0.592 121.128 120.570 -0.057 0.000 2.353 542 I HA -0.150 4.021 4.170 0.001 0.000 0.248 542 I C 0.806 176.905 176.117 -0.030 0.000 1.119 542 I CA 0.638 61.919 61.300 -0.032 0.000 1.417 542 I CB 0.137 38.120 38.000 -0.028 0.000 1.078 542 I HN -0.055 nan 8.210 nan 0.000 0.421 543 N N -0.570 118.123 118.700 -0.013 0.000 2.599 543 N HA 0.126 4.867 4.740 0.001 0.000 0.283 543 N C 0.359 175.926 175.510 0.094 0.000 1.160 543 N CA -0.327 52.738 53.050 0.024 0.000 0.869 543 N CB 0.638 39.145 38.487 0.033 0.000 1.448 543 N HN 0.108 nan 8.380 nan 0.000 0.535 544 H N 1.832 120.811 119.070 -0.153 0.000 2.353 544 H HA -0.107 4.450 4.556 0.001 0.000 0.298 544 H C 1.078 176.548 175.328 0.236 0.000 1.103 544 H CA 1.592 57.605 56.048 -0.058 0.000 1.293 544 H CB 0.536 30.250 29.762 -0.080 0.000 1.372 544 H HN 0.622 nan 8.280 nan 0.000 0.501 545 A N 1.515 124.485 122.820 0.249 0.000 2.259 545 A HA 0.149 4.469 4.320 0.001 0.000 0.208 545 A C 1.539 179.217 177.584 0.158 0.000 1.201 545 A CA 0.483 52.630 52.037 0.184 0.000 0.824 545 A CB -0.508 18.565 19.000 0.123 0.000 0.838 545 A HN 0.364 nan 8.150 nan 0.000 0.485 546 G N 0.032 108.936 108.800 0.173 0.000 2.516 546 G HA2 0.358 4.319 3.960 0.001 0.000 0.276 546 G HA3 0.358 4.319 3.960 0.001 0.000 0.276 546 G C -0.895 174.083 174.900 0.130 0.000 1.390 546 G CA -0.273 44.903 45.100 0.127 0.000 1.050 546 G HN 0.165 nan 8.290 nan 0.000 0.519 547 P HA 0.001 nan 4.420 nan 0.000 0.237 547 P C -0.236 177.123 177.300 0.098 0.000 1.178 547 P CA 0.558 63.715 63.100 0.094 0.000 0.766 547 P CB 0.204 31.944 31.700 0.067 0.000 0.876 548 N N -0.192 118.571 118.700 0.104 0.000 2.296 548 N HA 0.353 5.094 4.740 0.001 0.000 0.294 548 N C -0.920 174.656 175.510 0.109 0.000 1.033 548 N CA -0.452 52.647 53.050 0.083 0.000 0.839 548 N CB 1.834 40.329 38.487 0.012 0.000 1.395 548 N HN -0.136 nan 8.380 nan 0.000 0.479 549 Q N 1.638 121.460 119.800 0.036 0.000 2.305 549 Q HA 0.400 4.741 4.340 0.001 0.000 0.271 549 Q C -2.693 173.088 176.000 -0.365 0.000 1.046 549 Q CA -2.060 53.643 55.803 -0.167 0.000 0.798 549 Q CB 3.017 31.714 28.738 -0.068 0.000 1.286 549 Q HN 0.348 nan 8.270 nan 0.000 0.435 550 P HA 0.083 nan 4.420 nan 0.000 0.267 550 P C -0.797 176.116 177.300 -0.645 0.000 1.209 550 P CA 0.353 62.910 63.100 -0.904 0.000 0.763 550 P CB 0.576 31.776 31.700 -0.834 0.000 0.816 551 I N 6.375 126.560 120.570 -0.642 0.000 2.354 551 I HA 0.279 4.449 4.170 0.001 0.000 0.286 551 I C -2.201 173.665 176.117 -0.419 0.000 1.007 551 I CA -2.888 58.144 61.300 -0.446 0.000 1.167 551 I CB 1.708 39.470 38.000 -0.397 0.000 1.320 551 I HN 0.070 nan 8.210 nan 0.000 0.458 552 P HA -0.030 nan 4.420 nan 0.000 0.263 552 P C -0.604 176.475 177.300 -0.369 0.000 1.195 552 P CA -0.342 62.583 63.100 -0.292 0.000 0.762 552 P CB 0.400 31.999 31.700 -0.168 0.000 0.799 553 K N 4.229 124.312 120.400 -0.528 0.000 2.111 553 K HA 0.118 4.439 4.320 0.001 0.000 0.249 553 K C -0.462 175.945 176.600 -0.322 0.000 1.157 553 K CA 0.073 55.889 56.287 -0.785 0.000 1.048 553 K CB -0.229 31.582 32.500 -1.148 0.000 1.498 553 K HN 0.425 nan 8.250 nan 0.000 0.344 554 E N 0.740 120.880 120.200 -0.099 0.000 2.429 554 E HA 0.402 4.753 4.350 0.001 0.000 0.276 554 E C -0.527 176.190 176.600 0.196 0.000 0.953 554 E CA -0.871 55.576 56.400 0.079 0.000 0.787 554 E CB 1.827 31.528 29.700 0.003 0.000 1.307 554 E HN 0.495 nan 8.360 nan 0.000 0.458 555 G N 1.848 110.736 108.800 0.146 0.000 2.326 555 G HA2 -0.296 3.665 3.960 0.001 0.000 0.286 555 G HA3 -0.296 3.665 3.960 0.001 0.000 0.286 555 G C -0.157 174.792 174.900 0.080 0.000 1.096 555 G CA 0.606 45.764 45.100 0.098 0.000 1.003 555 G HN 0.512 nan 8.290 nan 0.000 0.503 556 E N -0.726 119.511 120.200 0.061 0.000 2.366 556 E HA 0.399 4.750 4.350 0.001 0.000 0.266 556 E C 1.154 177.636 176.600 -0.197 0.000 1.015 556 E CA -0.297 55.998 56.400 -0.174 0.000 0.906 556 E CB 0.265 29.915 29.700 -0.084 0.000 0.979 556 E HN 0.410 nan 8.360 nan 0.000 0.443 557 I N 2.606 122.992 120.570 -0.306 0.000 3.971 557 I HA 0.112 4.283 4.170 0.001 0.000 0.303 557 I C 0.147 176.134 176.117 -0.217 0.000 1.233 557 I CA 0.006 61.187 61.300 -0.199 0.000 1.346 557 I CB 0.764 38.668 38.000 -0.160 0.000 1.273 557 I HN 0.427 nan 8.210 nan 0.000 0.448 558 D N 1.033 121.232 120.400 -0.335 0.000 2.354 558 D HA 0.149 4.789 4.640 0.001 0.000 0.230 558 D C -2.314 173.770 176.300 -0.360 0.000 1.361 558 D CA -1.519 52.324 54.000 -0.261 0.000 0.992 558 D CB 2.031 42.724 40.800 -0.179 0.000 1.409 558 D HN -0.107 nan 8.370 nan 0.000 0.573 559 P HA 0.031 nan 4.420 nan 0.000 0.236 559 P C 1.512 178.835 177.300 0.038 0.000 1.177 559 P CA 0.018 63.021 63.100 -0.161 0.000 0.773 559 P CB 0.856 32.545 31.700 -0.017 0.000 0.878 560 I N 0.783 121.357 120.570 0.006 0.000 2.206 560 I HA -0.078 4.093 4.170 0.001 0.000 0.239 560 I C 2.183 178.391 176.117 0.152 0.000 1.078 560 I CA 1.352 62.701 61.300 0.083 0.000 1.367 560 I CB -1.178 36.836 38.000 0.024 0.000 1.078 560 I HN 0.017 nan 8.210 nan 0.000 0.413 561 K N 0.653 121.066 120.400 0.021 0.000 2.288 561 K HA 0.042 4.363 4.320 0.001 0.000 0.201 561 K C 0.738 177.265 176.600 -0.120 0.000 1.048 561 K CA 0.688 56.972 56.287 -0.004 0.000 0.956 561 K CB -0.122 32.340 32.500 -0.063 0.000 0.746 561 K HN 0.518 nan 8.250 nan 0.000 0.461 562 G N 2.294 110.918 108.800 -0.293 0.000 2.417 562 G HA2 -0.226 3.735 3.960 0.001 0.000 0.291 562 G HA3 -0.226 3.735 3.960 0.001 0.000 0.291 562 G C -0.316 174.245 174.900 -0.564 0.000 1.094 562 G CA -0.296 44.392 45.100 -0.688 0.000 1.146 562 G HN 0.208 nan 8.290 nan 0.000 0.519 563 I N 0.461 120.606 120.570 -0.708 0.000 2.378 563 I HA 0.524 4.694 4.170 0.001 0.000 0.291 563 I C 0.122 175.892 176.117 -0.578 0.000 0.992 563 I CA -0.899 60.162 61.300 -0.398 0.000 1.154 563 I CB 1.340 39.199 38.000 -0.235 0.000 1.315 563 I HN 0.173 nan 8.210 nan 0.000 0.448 564 W N 4.907 126.210 121.300 0.005 0.000 2.702 564 W HA 0.308 4.969 4.660 0.001 0.000 0.331 564 W C 0.919 177.441 176.519 0.005 0.000 1.049 564 W CA -0.851 56.494 57.345 -0.000 0.000 1.230 564 W CB 2.161 31.616 29.460 -0.008 0.000 1.408 564 W HN 0.610 nan 8.180 nan 0.000 0.492 565 K N 0.989 121.495 120.400 0.177 0.000 2.032 565 K HA -0.215 4.106 4.320 0.001 0.000 0.209 565 K C 1.952 178.637 176.600 0.141 0.000 1.048 565 K CA 2.611 58.967 56.287 0.114 0.000 0.927 565 K CB -0.041 32.499 32.500 0.066 0.000 0.712 565 K HN 0.373 nan 8.250 nan 0.000 0.441 566 S N -0.477 115.317 115.700 0.157 0.000 2.423 566 S HA -0.082 4.389 4.470 0.001 0.000 0.231 566 S C 1.957 176.643 174.600 0.144 0.000 1.014 566 S CA 1.099 59.363 58.200 0.107 0.000 0.965 566 S CB -0.307 62.912 63.200 0.032 0.000 0.785 566 S HN 0.107 nan 8.310 nan 0.000 0.495 567 V N 2.753 122.787 119.914 0.201 0.000 2.453 567 V HA -0.101 4.020 4.120 0.001 0.000 0.247 567 V C 2.415 178.655 176.094 0.242 0.000 1.048 567 V CA 1.742 64.176 62.300 0.224 0.000 1.049 567 V CB -0.959 31.047 31.823 0.305 0.000 0.672 567 V HN 0.448 nan 8.190 nan 0.000 0.457 568 N N 0.360 119.182 118.700 0.205 0.000 2.171 568 N HA -0.124 4.617 4.740 0.001 0.000 0.184 568 N C 1.561 177.171 175.510 0.166 0.000 1.021 568 N CA 1.405 54.554 53.050 0.165 0.000 0.854 568 N CB -0.407 38.145 38.487 0.110 0.000 0.994 568 N HN 0.423 nan 8.380 nan 0.000 0.426 569 D N -0.396 120.091 120.400 0.146 0.000 2.144 569 D HA -0.167 4.474 4.640 0.001 0.000 0.199 569 D C 1.757 178.160 176.300 0.172 0.000 0.984 569 D CA 0.723 54.804 54.000 0.135 0.000 0.834 569 D CB -0.303 40.556 40.800 0.099 0.000 0.955 569 D HN 0.358 nan 8.370 nan 0.000 0.465 570 Y N 1.287 121.638 120.300 0.086 0.000 2.184 570 Y HA -0.083 4.468 4.550 0.002 0.000 0.290 570 Y C 2.176 178.123 175.900 0.079 0.000 1.129 570 Y CA 0.957 59.097 58.100 0.066 0.000 1.144 570 Y CB -0.315 38.165 38.460 0.033 0.000 0.995 570 Y HN -0.106 nan 8.280 nan 0.000 0.513 571 L N -0.374 120.979 121.223 0.216 0.000 2.042 571 L HA -0.281 4.060 4.340 0.001 0.000 0.210 571 L C 2.274 179.167 176.870 0.039 0.000 1.076 571 L CA 2.248 57.167 54.840 0.132 0.000 0.749 571 L CB -0.871 41.305 42.059 0.195 0.000 0.893 571 L HN 0.434 nan 8.230 nan 0.000 0.432 572 Y N 0.839 121.123 120.300 -0.027 0.000 2.128 572 Y HA -0.278 4.273 4.550 0.001 0.000 0.284 572 Y C 2.601 178.457 175.900 -0.073 0.000 1.154 572 Y CA 2.536 60.620 58.100 -0.028 0.000 1.149 572 Y CB -0.560 37.895 38.460 -0.009 0.000 0.976 572 Y HN 0.109 nan 8.280 nan 0.000 0.505 573 T N 0.138 114.641 114.554 -0.085 0.000 2.896 573 T HA -0.019 4.332 4.350 0.001 0.000 0.263 573 T C 2.000 176.540 174.700 -0.267 0.000 1.050 573 T CA 1.107 63.090 62.100 -0.193 0.000 1.140 573 T CB -0.538 68.258 68.868 -0.121 0.000 0.877 573 T HN 0.439 nan 8.240 nan 0.000 0.457 574 A N 1.625 124.222 122.820 -0.372 0.000 2.067 574 A HA 0.037 4.358 4.320 0.001 0.000 0.217 574 A C 2.240 179.722 177.584 -0.170 0.000 1.156 574 A CA 1.370 53.196 52.037 -0.352 0.000 0.683 574 A CB -0.424 18.192 19.000 -0.640 0.000 0.808 574 A HN 0.523 nan 8.150 nan 0.000 0.455 575 S N -0.135 115.477 115.700 -0.146 0.000 2.660 575 S HA 0.064 4.535 4.470 0.001 0.000 0.227 575 S C 0.316 174.851 174.600 -0.109 0.000 0.948 575 S CA 0.154 58.304 58.200 -0.082 0.000 0.948 575 S CB -0.668 62.506 63.200 -0.043 0.000 0.779 575 S HN 0.534 nan 8.310 nan 0.000 0.487 576 N N 2.382 120.990 118.700 -0.154 0.000 2.735 576 N HA -0.203 4.537 4.740 0.001 0.000 0.248 576 N C -0.122 175.251 175.510 -0.229 0.000 1.083 576 N CA 1.057 54.014 53.050 -0.156 0.000 0.703 576 N CB -1.353 37.089 38.487 -0.075 0.000 1.005 576 N HN 0.736 nan 8.380 nan 0.000 0.550 577 R N -2.310 117.938 120.500 -0.420 0.000 3.872 577 R HA -0.172 4.169 4.340 0.001 0.000 0.341 577 R C 0.365 176.487 176.300 -0.297 0.000 1.172 577 R CA 1.010 56.706 56.100 -0.673 0.000 0.901 577 R CB -1.688 28.256 30.300 -0.593 0.000 1.422 577 R HN 0.381 nan 8.270 nan 0.000 0.523 578 N N 0.267 118.876 118.700 -0.152 0.000 2.422 578 N HA 0.108 4.849 4.740 0.001 0.000 0.181 578 N C 0.252 175.782 175.510 0.033 0.000 1.080 578 N CA 0.776 53.809 53.050 -0.028 0.000 0.893 578 N CB 0.472 38.959 38.487 -0.000 0.000 0.973 578 N HN 0.247 nan 8.380 nan 0.000 0.456 579 L N 0.154 121.406 121.223 0.048 0.000 2.422 579 L HA 0.303 4.644 4.340 0.001 0.000 0.264 579 L C 0.639 177.643 176.870 0.223 0.000 0.984 579 L CA -0.397 54.514 54.840 0.117 0.000 0.819 579 L CB 2.801 44.919 42.059 0.098 0.000 1.330 579 L HN -0.161 nan 8.230 nan 0.000 0.410 580 E N 0.678 120.994 120.200 0.195 0.000 2.413 580 E HA 0.095 4.446 4.350 0.001 0.000 0.203 580 E C -0.170 176.504 176.600 0.124 0.000 0.957 580 E CA 0.115 56.628 56.400 0.188 0.000 0.950 580 E CB 1.408 31.172 29.700 0.107 0.000 0.957 580 E HN 0.479 nan 8.360 nan 0.000 0.497 581 Q N 0.403 120.268 119.800 0.109 0.000 2.426 581 Q HA 0.447 4.788 4.340 0.001 0.000 0.278 581 Q C -2.210 173.844 176.000 0.090 0.000 1.007 581 Q CA -0.577 55.279 55.803 0.089 0.000 0.850 581 Q CB 2.771 31.542 28.738 0.055 0.000 1.427 581 Q HN -0.010 nan 8.270 nan 0.000 0.391 582 V N 2.817 122.787 119.914 0.094 0.000 2.668 582 V HA 0.583 4.704 4.120 0.001 0.000 0.304 582 V C -1.347 174.787 176.094 0.065 0.000 1.071 582 V CA -0.468 61.882 62.300 0.085 0.000 0.894 582 V CB 1.673 33.557 31.823 0.102 0.000 1.008 582 V HN 1.022 nan 8.190 nan 0.000 0.425 583 C N 6.762 126.080 119.300 0.030 0.000 2.347 583 C HA 0.429 4.890 4.460 0.001 0.000 0.353 583 C C 1.538 176.515 174.990 -0.022 0.000 1.273 583 C CA -0.473 58.535 59.018 -0.015 0.000 1.861 583 C CB 0.335 28.066 27.740 -0.015 0.000 2.420 583 C HN 0.897 nan 8.230 nan 0.000 0.542 584 L N 2.246 123.399 121.223 -0.117 0.000 2.592 584 L HA 0.091 4.431 4.340 0.001 0.000 0.227 584 L C 0.230 177.093 176.870 -0.010 0.000 1.127 584 L CA 0.860 55.621 54.840 -0.132 0.000 0.884 584 L CB -0.249 41.693 42.059 -0.195 0.000 1.065 584 L HN 0.736 nan 8.230 nan 0.000 0.457 585 Y N -1.474 118.900 120.300 0.123 0.000 2.719 585 Y HA 0.341 4.892 4.550 0.002 0.000 0.251 585 Y C 0.574 176.501 175.900 0.044 0.000 1.159 585 Y CA -0.897 57.270 58.100 0.113 0.000 1.166 585 Y CB 0.452 38.975 38.460 0.104 0.000 1.219 585 Y HN -0.164 nan 8.280 nan 0.000 0.551 586 T N -0.178 114.460 114.554 0.139 0.000 2.916 586 T HA 0.380 4.730 4.350 0.001 0.000 0.305 586 T C 0.007 174.731 174.700 0.039 0.000 1.119 586 T CA -0.428 61.709 62.100 0.062 0.000 1.008 586 T CB 1.341 70.231 68.868 0.037 0.000 1.129 586 T HN 0.056 nan 8.240 nan 0.000 0.480 587 L N 3.683 124.905 121.223 -0.001 0.000 2.446 587 L HA 0.418 4.758 4.340 0.001 0.000 0.219 587 L C 1.409 178.268 176.870 -0.019 0.000 1.116 587 L CA 1.229 56.062 54.840 -0.012 0.000 0.844 587 L CB -0.240 41.784 42.059 -0.058 0.000 0.970 587 L HN 0.595 nan 8.230 nan 0.000 0.457 588 M N -0.919 118.670 119.600 -0.018 0.000 2.414 588 M HA 0.320 4.801 4.480 0.001 0.000 0.251 588 M C 0.078 176.378 176.300 0.000 0.000 1.116 588 M CA 0.245 55.532 55.300 -0.021 0.000 1.056 588 M CB -0.236 32.347 32.600 -0.028 0.000 1.388 588 M HN 0.178 nan 8.290 nan 0.000 0.487 589 E N 0.990 121.196 120.200 0.009 0.000 2.287 589 E HA 0.212 4.562 4.350 0.001 0.000 0.274 589 E C -0.746 175.868 176.600 0.023 0.000 0.896 589 E CA -0.173 56.235 56.400 0.014 0.000 0.788 589 E CB 0.822 30.524 29.700 0.003 0.000 1.244 589 E HN 0.138 nan 8.360 nan 0.000 0.408 590 N N 2.659 121.379 118.700 0.034 0.000 2.714 590 N HA -0.125 4.616 4.740 0.001 0.000 0.252 590 N C -2.521 173.020 175.510 0.052 0.000 1.014 590 N CA 0.781 53.858 53.050 0.045 0.000 0.735 590 N CB -1.053 37.457 38.487 0.038 0.000 0.924 590 N HN 0.441 nan 8.380 nan 0.000 0.540 591 P HA -0.017 nan 4.420 nan 0.000 0.272 591 P C 0.837 178.185 177.300 0.080 0.000 1.230 591 P CA -0.337 62.800 63.100 0.062 0.000 0.788 591 P CB 0.736 32.473 31.700 0.062 0.000 0.949 592 M N 1.757 121.406 119.600 0.081 0.000 2.246 592 M HA 0.004 4.485 4.480 0.001 0.000 0.327 592 M C 0.766 177.150 176.300 0.140 0.000 1.090 592 M CA 0.813 56.178 55.300 0.109 0.000 1.087 592 M CB 0.253 32.910 32.600 0.095 0.000 1.587 592 M HN 0.495 nan 8.290 nan 0.000 0.444 593 T N 1.152 115.831 114.554 0.209 0.000 2.852 593 T HA 0.624 4.975 4.350 0.001 0.000 0.281 593 T C -0.244 174.605 174.700 0.248 0.000 0.993 593 T CA -0.975 61.261 62.100 0.226 0.000 0.933 593 T CB 1.385 70.415 68.868 0.270 0.000 1.187 593 T HN 0.659 nan 8.240 nan 0.000 0.559 594 S N -1.077 114.676 115.700 0.089 0.000 2.569 594 S HA 0.460 4.931 4.470 0.001 0.000 0.280 594 S C 1.074 175.499 174.600 -0.292 0.000 1.111 594 S CA -0.676 57.461 58.200 -0.106 0.000 0.887 594 S CB 1.225 64.523 63.200 0.164 0.000 1.095 594 S HN 1.079 nan 8.310 nan 0.000 0.476 595 C N 0.435 119.423 119.300 -0.519 0.000 3.047 595 C HA 0.681 5.142 4.460 0.001 0.000 0.286 595 C C 1.714 176.782 174.990 0.130 0.000 1.337 595 C CA 0.844 59.779 59.018 -0.137 0.000 1.696 595 C CB -1.487 26.183 27.740 -0.116 0.000 2.160 595 C HN 1.013 nan 8.230 nan 0.000 0.545 596 G N -1.122 107.654 108.800 -0.040 0.000 4.616 596 G HA2 0.064 4.025 3.960 0.001 0.000 0.214 596 G HA3 0.064 4.025 3.960 0.001 0.000 0.214 596 G C 0.476 174.880 174.900 -0.827 0.000 0.653 596 G CA 0.701 45.598 45.100 -0.338 0.000 0.816 596 G HN 0.962 nan 8.290 nan 0.000 0.601 597 C N 0.783 119.715 119.300 -0.613 0.000 2.884 597 C HA 0.658 5.119 4.460 0.001 0.000 0.287 597 C C 1.111 175.910 174.990 -0.318 0.000 1.310 597 C CA -1.673 57.110 59.018 -0.391 0.000 1.725 597 C CB -2.479 25.122 27.740 -0.232 0.000 2.060 597 C HN 0.345 nan 8.230 nan 0.000 0.618 598 F N 1.569 121.583 119.950 0.107 0.000 2.628 598 F HA 0.257 4.785 4.527 0.001 0.000 0.362 598 F C 1.262 177.143 175.800 0.135 0.000 1.148 598 F CA -0.257 57.813 58.000 0.116 0.000 1.352 598 F CB 0.074 39.154 39.000 0.133 0.000 1.081 598 F HN 0.194 nan 8.300 nan 0.000 0.605 599 E N 1.234 121.606 120.200 0.286 0.000 2.285 599 E HA 0.271 4.622 4.350 0.001 0.000 0.194 599 E C 0.443 177.169 176.600 0.209 0.000 0.997 599 E CA 0.803 57.283 56.400 0.134 0.000 0.845 599 E CB 0.140 29.855 29.700 0.025 0.000 0.782 599 E HN 0.731 nan 8.360 nan 0.000 0.491 600 A N 0.643 123.681 122.820 0.363 0.000 2.599 600 A HA 0.700 5.021 4.320 0.001 0.000 0.290 600 A C -1.543 176.222 177.584 0.302 0.000 1.101 600 A CA -0.707 51.528 52.037 0.329 0.000 0.674 600 A CB 1.333 20.450 19.000 0.196 0.000 1.277 600 A HN 0.067 nan 8.150 nan 0.000 0.419 601 I N 0.719 121.439 120.570 0.249 0.000 2.571 601 I HA 0.352 4.523 4.170 0.001 0.000 0.289 601 I C -0.600 175.613 176.117 0.160 0.000 1.115 601 I CA -0.283 61.080 61.300 0.105 0.000 1.045 601 I CB 2.140 40.130 38.000 -0.016 0.000 1.238 601 I HN 0.630 nan 8.210 nan 0.000 0.424 602 M N 4.861 124.549 119.600 0.147 0.000 2.367 602 M HA 0.799 5.279 4.480 0.001 0.000 0.339 602 M C -0.266 176.091 176.300 0.095 0.000 1.177 602 M CA -0.529 54.864 55.300 0.154 0.000 1.068 602 M CB 1.928 34.623 32.600 0.158 0.000 1.602 602 M HN 0.681 nan 8.290 nan 0.000 0.457 603 A N 2.605 125.450 122.820 0.042 0.000 2.427 603 A HA 0.731 5.051 4.320 0.001 0.000 0.298 603 A C -0.605 176.833 177.584 -0.243 0.000 1.036 603 A CA -0.901 51.063 52.037 -0.122 0.000 0.701 603 A CB 0.845 19.950 19.000 0.174 0.000 1.250 603 A HN 0.799 nan 8.150 nan 0.000 0.412 604 I N 0.058 120.318 120.570 -0.516 0.000 2.892 604 I HA 0.302 4.473 4.170 0.001 0.000 0.287 604 I C -0.081 175.930 176.117 -0.177 0.000 1.205 604 I CA 0.335 61.453 61.300 -0.303 0.000 1.409 604 I CB -0.088 37.721 38.000 -0.319 0.000 1.367 604 I HN 0.425 nan 8.210 nan 0.000 0.597 605 L N 5.128 126.295 121.223 -0.093 0.000 2.470 605 L HA 0.321 4.662 4.340 0.001 0.000 0.253 605 L C -1.824 175.021 176.870 -0.041 0.000 1.163 605 L CA -1.128 53.680 54.840 -0.053 0.000 0.932 605 L CB 1.209 43.248 42.059 -0.034 0.000 1.213 605 L HN 0.429 nan 8.230 nan 0.000 0.485 606 P HA -0.245 nan 4.420 nan 0.000 0.217 606 P C 1.369 178.659 177.300 -0.017 0.000 1.151 606 P CA 1.277 64.359 63.100 -0.029 0.000 0.849 606 P CB 0.407 32.094 31.700 -0.021 0.000 0.787 607 E N -1.622 118.570 120.200 -0.014 0.000 2.204 607 E HA -0.160 4.191 4.350 0.001 0.000 0.195 607 E C 0.818 177.415 176.600 -0.006 0.000 0.990 607 E CA 0.926 57.322 56.400 -0.008 0.000 0.821 607 E CB -0.286 29.410 29.700 -0.007 0.000 0.750 607 E HN 0.185 nan 8.360 nan 0.000 0.477 608 C N 0.532 119.824 119.300 -0.012 0.000 2.906 608 C HA 0.236 4.697 4.460 0.001 0.000 0.274 608 C C 0.806 175.788 174.990 -0.014 0.000 1.257 608 C CA 0.002 59.010 59.018 -0.016 0.000 1.695 608 C CB -1.258 26.468 27.740 -0.024 0.000 1.958 608 C HN 0.591 nan 8.230 nan 0.000 0.619 609 N N 0.108 118.803 118.700 -0.008 0.000 2.714 609 N HA -0.135 4.606 4.740 0.001 0.000 0.250 609 N C -0.001 175.515 175.510 0.010 0.000 1.117 609 N CA 1.149 54.200 53.050 0.001 0.000 0.719 609 N CB -0.976 37.519 38.487 0.012 0.000 1.081 609 N HN 0.685 nan 8.380 nan 0.000 0.557 610 G N -1.273 107.529 108.800 0.004 0.000 2.933 610 G HA2 0.673 4.634 3.960 0.001 0.000 0.203 610 G HA3 0.673 4.634 3.960 0.001 0.000 0.203 610 G C -0.703 174.206 174.900 0.014 0.000 1.170 610 G CA -0.220 44.896 45.100 0.028 0.000 0.880 610 G HN 0.634 nan 8.290 nan 0.000 0.573 611 I N -1.910 118.698 120.570 0.063 0.000 3.074 611 I HA 0.839 5.010 4.170 0.001 0.000 0.310 611 I C -0.525 175.675 176.117 0.138 0.000 1.153 611 I CA -1.454 59.885 61.300 0.065 0.000 0.993 611 I CB 2.417 40.462 38.000 0.075 0.000 1.237 611 I HN 0.734 nan 8.210 nan 0.000 0.443 612 M N 3.003 122.689 119.600 0.143 0.000 2.664 612 M HA 0.763 5.244 4.480 0.001 0.000 0.314 612 M C -1.479 174.979 176.300 0.263 0.000 1.200 612 M CA -0.546 54.902 55.300 0.248 0.000 0.916 612 M CB 2.366 35.072 32.600 0.176 0.000 1.717 612 M HN 0.537 nan 8.290 nan 0.000 0.470 613 I N 0.299 121.068 120.570 0.332 0.000 2.647 613 I HA 0.674 4.845 4.170 0.001 0.000 0.295 613 I C -0.523 175.796 176.117 0.337 0.000 1.078 613 I CA -0.613 60.852 61.300 0.275 0.000 1.048 613 I CB 2.458 40.577 38.000 0.198 0.000 1.239 613 I HN 0.902 nan 8.210 nan 0.000 0.421 614 T N 2.426 117.169 114.554 0.314 0.000 2.838 614 T HA 0.741 5.092 4.350 0.001 0.000 0.292 614 T C -0.931 173.949 174.700 0.300 0.000 1.113 614 T CA -0.339 61.967 62.100 0.344 0.000 1.008 614 T CB 1.977 71.121 68.868 0.460 0.000 1.259 614 T HN 0.820 nan 8.240 nan 0.000 0.520 615 T N -0.459 114.223 114.554 0.213 0.000 2.903 615 T HA 0.459 4.809 4.350 0.001 0.000 0.299 615 T C 1.008 175.440 174.700 -0.446 0.000 1.093 615 T CA -0.865 61.230 62.100 -0.009 0.000 1.002 615 T CB 1.815 70.633 68.868 -0.083 0.000 1.127 615 T HN 0.675 nan 8.240 nan 0.000 0.488 616 R N 0.419 120.346 120.500 -0.955 0.000 2.119 616 R HA -0.170 4.171 4.340 0.001 0.000 0.246 616 R C 0.851 176.705 176.300 -0.742 0.000 1.146 616 R CA 2.281 57.456 56.100 -1.543 0.000 0.962 616 R CB -0.365 29.458 30.300 -0.795 0.000 0.863 616 R HN 0.688 nan 8.270 nan 0.000 0.442 617 D N -1.125 119.046 120.400 -0.382 0.000 2.349 617 D HA -0.056 4.585 4.640 0.001 0.000 0.224 617 D C -0.260 176.003 176.300 -0.062 0.000 1.029 617 D CA 0.559 54.445 54.000 -0.190 0.000 0.879 617 D CB -0.025 40.697 40.800 -0.131 0.000 0.906 617 D HN 0.286 nan 8.370 nan 0.000 0.528 618 H N 0.218 119.205 119.070 -0.139 0.000 2.640 618 H HA 0.458 5.014 4.556 0.001 0.000 0.297 618 H C 0.830 176.187 175.328 0.048 0.000 1.073 618 H CA -0.451 55.587 56.048 -0.016 0.000 1.305 618 H CB 1.185 30.974 29.762 0.045 0.000 1.404 618 H HN -0.117 nan 8.280 nan 0.000 0.459 619 A N 3.817 126.440 122.820 -0.328 0.000 1.968 619 A HA 0.137 4.458 4.320 0.001 0.000 0.217 619 A C 1.588 179.068 177.584 -0.174 0.000 1.169 619 A CA 0.659 52.596 52.037 -0.167 0.000 0.638 619 A CB -0.580 18.354 19.000 -0.110 0.000 0.812 619 A HN 0.764 nan 8.150 nan 0.000 0.446 620 G N -0.539 108.000 108.800 -0.435 0.000 2.491 620 G HA2 0.387 4.347 3.960 0.001 0.000 0.238 620 G HA3 0.387 4.347 3.960 0.001 0.000 0.238 620 G C 0.286 175.201 174.900 0.026 0.000 1.277 620 G CA -0.489 44.508 45.100 -0.171 0.000 0.851 620 G HN 0.161 nan 8.290 nan 0.000 0.573 621 M N 0.863 120.473 119.600 0.017 0.000 2.235 621 M HA 0.076 4.557 4.480 0.001 0.000 0.316 621 M C 0.977 177.241 176.300 -0.060 0.000 1.035 621 M CA 0.686 55.975 55.300 -0.018 0.000 1.084 621 M CB 0.315 32.891 32.600 -0.040 0.000 1.529 621 M HN 0.774 nan 8.290 nan 0.000 0.440 622 T N 0.516 114.948 114.554 -0.203 0.000 2.901 622 T HA 0.590 4.941 4.350 0.001 0.000 0.293 622 T C -2.339 172.056 174.700 -0.507 0.000 1.084 622 T CA -1.489 60.271 62.100 -0.566 0.000 1.008 622 T CB 1.858 70.429 68.868 -0.494 0.000 1.170 622 T HN 0.411 nan 8.240 nan 0.000 0.509 623 P HA -0.045 nan 4.420 nan 0.000 0.226 623 P C 1.397 178.559 177.300 -0.231 0.000 1.146 623 P CA 0.866 63.706 63.100 -0.432 0.000 0.773 623 P CB -0.246 31.160 31.700 -0.490 0.000 0.772 624 S N -2.032 113.554 115.700 -0.191 0.000 2.561 624 S HA 0.237 4.708 4.470 0.001 0.000 0.225 624 S C 1.706 176.276 174.600 -0.051 0.000 0.977 624 S CA 0.644 58.810 58.200 -0.056 0.000 0.926 624 S CB -1.033 62.190 63.200 0.039 0.000 0.769 624 S HN 0.296 nan 8.310 nan 0.000 0.533 625 G N 0.349 109.090 108.800 -0.098 0.000 2.195 625 G HA2 -0.189 3.772 3.960 0.001 0.000 0.224 625 G HA3 -0.189 3.772 3.960 0.001 0.000 0.224 625 G C -0.125 174.720 174.900 -0.091 0.000 0.990 625 G CA 0.108 45.157 45.100 -0.084 0.000 0.639 625 G HN 0.506 nan 8.290 nan 0.000 0.514 626 M N 1.349 120.891 119.600 -0.097 0.000 2.550 626 M HA 0.516 4.997 4.480 0.001 0.000 0.292 626 M C 0.672 176.930 176.300 -0.070 0.000 1.221 626 M CA -0.378 54.863 55.300 -0.098 0.000 0.873 626 M CB 2.230 34.760 32.600 -0.118 0.000 1.727 626 M HN 0.296 nan 8.290 nan 0.000 0.459 627 T N -1.392 113.128 114.554 -0.057 0.000 2.754 627 T HA 0.229 4.580 4.350 0.001 0.000 0.286 627 T C 0.819 175.551 174.700 0.053 0.000 0.997 627 T CA -0.443 61.668 62.100 0.019 0.000 0.982 627 T CB 0.598 69.477 68.868 0.017 0.000 1.027 627 T HN 0.578 nan 8.240 nan 0.000 0.529 628 F N 1.375 121.352 119.950 0.044 0.000 2.045 628 F HA -0.216 4.312 4.527 0.001 0.000 0.297 628 F C 2.661 178.485 175.800 0.041 0.000 1.114 628 F CA 2.482 60.525 58.000 0.071 0.000 1.207 628 F CB -1.111 37.949 39.000 0.100 0.000 0.964 628 F HN 0.589 nan 8.300 nan 0.000 0.486 629 S N -0.486 115.208 115.700 -0.011 0.000 2.374 629 S HA -0.232 4.239 4.470 0.001 0.000 0.227 629 S C 1.923 176.362 174.600 -0.269 0.000 1.037 629 S CA 1.931 60.050 58.200 -0.135 0.000 1.024 629 S CB -0.772 62.431 63.200 0.005 0.000 0.861 629 S HN 0.572 nan 8.310 nan 0.000 0.456 630 T N 2.125 116.536 114.554 -0.237 0.000 2.857 630 T HA 0.066 4.417 4.350 0.001 0.000 0.266 630 T C 1.670 176.199 174.700 -0.286 0.000 1.048 630 T CA 0.574 62.505 62.100 -0.281 0.000 1.139 630 T CB -0.257 68.469 68.868 -0.235 0.000 0.874 630 T HN 0.095 nan 8.240 nan 0.000 0.455 631 L N 1.521 122.581 121.223 -0.271 0.000 2.093 631 L HA 0.158 4.498 4.340 0.001 0.000 0.208 631 L C 2.713 179.389 176.870 -0.323 0.000 1.085 631 L CA 1.400 56.079 54.840 -0.270 0.000 0.755 631 L CB -1.496 40.447 42.059 -0.192 0.000 0.904 631 L HN 0.246 nan 8.230 nan 0.000 0.435 632 A N -0.780 121.800 122.820 -0.401 0.000 1.908 632 A HA -0.120 4.200 4.320 0.001 0.000 0.218 632 A C 2.325 179.861 177.584 -0.079 0.000 1.181 632 A CA 1.639 53.537 52.037 -0.233 0.000 0.627 632 A CB -1.250 17.574 19.000 -0.293 0.000 0.818 632 A HN 0.458 nan 8.150 nan 0.000 0.445 633 G N -0.875 107.820 108.800 -0.175 0.000 2.484 633 G HA2 -0.116 3.845 3.960 0.001 0.000 0.218 633 G HA3 -0.116 3.845 3.960 0.001 0.000 0.218 633 G C 1.541 176.372 174.900 -0.115 0.000 1.130 633 G CA 1.022 46.043 45.100 -0.132 0.000 0.784 633 G HN 0.571 nan 8.290 nan 0.000 0.543 634 M N 0.723 120.213 119.600 -0.184 0.000 2.349 634 M HA 0.172 4.653 4.480 0.001 0.000 0.266 634 M C 2.142 178.352 176.300 -0.151 0.000 1.076 634 M CA 1.247 56.431 55.300 -0.194 0.000 1.126 634 M CB -0.063 32.352 32.600 -0.309 0.000 1.392 634 M HN 0.313 nan 8.290 nan 0.000 0.440 635 I N -2.317 118.168 120.570 -0.141 0.000 3.941 635 I HA 0.457 4.628 4.170 0.001 0.000 0.321 635 I C 1.006 177.116 176.117 -0.012 0.000 1.284 635 I CA -0.353 60.877 61.300 -0.116 0.000 1.226 635 I CB -0.448 37.415 38.000 -0.228 0.000 1.045 635 I HN 0.099 nan 8.210 nan 0.000 0.420 636 G N 0.439 109.285 108.800 0.077 0.000 2.557 636 G HA2 0.434 4.395 3.960 0.001 0.000 0.292 636 G HA3 0.434 4.395 3.960 0.001 0.000 0.292 636 G C 0.840 175.812 174.900 0.119 0.000 1.237 636 G CA -0.049 45.169 45.100 0.196 0.000 0.978 636 G HN 0.684 nan 8.290 nan 0.000 0.498 637 G N -2.203 106.676 108.800 0.131 0.000 2.157 637 G HA2 0.225 4.186 3.960 0.001 0.000 0.248 637 G HA3 0.225 4.186 3.960 0.001 0.000 0.248 637 G C 1.434 176.406 174.900 0.121 0.000 0.979 637 G CA 0.960 46.126 45.100 0.110 0.000 0.650 637 G HN 2.565 nan 8.290 nan 0.000 0.529 638 G N -1.412 107.474 108.800 0.143 0.000 2.155 638 G HA2 0.034 3.994 3.960 0.001 0.000 0.257 638 G HA3 0.034 3.994 3.960 0.001 0.000 0.257 638 G C 0.573 175.553 174.900 0.132 0.000 0.983 638 G CA 1.388 46.596 45.100 0.181 0.000 0.676 638 G HN 2.232 nan 8.290 nan 0.000 0.528 639 T N -1.602 113.011 114.554 0.099 0.000 2.909 639 T HA 0.596 4.947 4.350 0.001 0.000 0.289 639 T C 0.080 174.828 174.700 0.081 0.000 1.005 639 T CA -0.327 61.820 62.100 0.078 0.000 1.084 639 T CB 2.334 71.233 68.868 0.052 0.000 0.975 639 T HN 0.366 nan 8.240 nan 0.000 0.509 640 Q N 1.415 121.262 119.800 0.078 0.000 2.267 640 Q HA 0.432 4.772 4.340 0.001 0.000 0.255 640 Q C -0.401 175.645 176.000 0.076 0.000 0.923 640 Q CA -0.429 55.423 55.803 0.082 0.000 0.925 640 Q CB 0.678 29.464 28.738 0.079 0.000 1.195 640 Q HN 0.911 nan 8.270 nan 0.000 0.417 641 T N 1.834 116.443 114.554 0.091 0.000 3.141 641 T HA 0.430 4.781 4.350 0.001 0.000 0.377 641 T C -2.638 172.170 174.700 0.181 0.000 1.258 641 T CA -2.112 60.062 62.100 0.124 0.000 1.263 641 T CB 0.933 69.868 68.868 0.113 0.000 1.066 641 T HN 0.351 nan 8.240 nan 0.000 0.546 642 P HA 0.288 nan 4.420 nan 0.000 0.260 642 P C 1.281 178.633 177.300 0.087 0.000 1.172 642 P CA 1.335 64.492 63.100 0.094 0.000 0.760 642 P CB 0.173 31.912 31.700 0.066 0.000 0.773 643 G N 1.574 110.329 108.800 -0.075 0.000 2.213 643 G HA2 -0.195 3.766 3.960 0.001 0.000 0.226 643 G HA3 -0.195 3.766 3.960 0.001 0.000 0.226 643 G C -0.239 174.222 174.900 -0.732 0.000 0.992 643 G CA -0.580 44.248 45.100 -0.453 0.000 0.632 643 G HN 0.421 nan 8.290 nan 0.000 0.511 644 F N -0.295 119.643 119.950 -0.020 0.000 2.581 644 F HA 0.847 5.374 4.527 0.001 0.000 0.311 644 F C 0.048 175.813 175.800 -0.058 0.000 1.113 644 F CA -0.829 57.144 58.000 -0.044 0.000 0.935 644 F CB 2.360 41.317 39.000 -0.071 0.000 1.232 644 F HN 0.126 nan 8.300 nan 0.000 0.445 645 M N 1.792 121.444 119.600 0.087 0.000 2.333 645 M HA 0.584 5.064 4.480 0.001 0.000 0.286 645 M C -1.031 175.229 176.300 -0.067 0.000 1.113 645 M CA -0.346 54.965 55.300 0.019 0.000 0.959 645 M CB 2.013 34.657 32.600 0.072 0.000 1.776 645 M HN 0.745 nan 8.290 nan 0.000 0.492 646 G N 5.189 113.867 108.800 -0.204 0.000 2.380 646 G HA2 0.603 4.564 3.960 0.001 0.000 0.262 646 G HA3 0.603 4.564 3.960 0.001 0.000 0.262 646 G C -0.652 174.302 174.900 0.091 0.000 1.243 646 G CA -0.538 44.424 45.100 -0.230 0.000 0.865 646 G HN 0.898 nan 8.290 nan 0.000 0.513 647 I N -0.444 120.243 120.570 0.195 0.000 3.174 647 I HA 0.872 5.042 4.170 0.001 0.000 0.313 647 I C 0.394 176.662 176.117 0.252 0.000 1.155 647 I CA -1.544 59.897 61.300 0.236 0.000 0.977 647 I CB 2.079 40.298 38.000 0.365 0.000 1.248 647 I HN 0.564 nan 8.210 nan 0.000 0.453 648 G N 1.306 110.240 108.800 0.222 0.000 2.476 648 G HA2 0.377 4.338 3.960 0.001 0.000 0.269 648 G HA3 0.377 4.338 3.960 0.001 0.000 0.269 648 G C 0.241 175.272 174.900 0.217 0.000 1.195 648 G CA -0.687 44.529 45.100 0.193 0.000 0.843 648 G HN 0.802 nan 8.290 nan 0.000 0.545 649 R N -0.262 120.325 120.500 0.146 0.000 2.092 649 R HA -0.105 4.235 4.340 0.001 0.000 0.231 649 R C 2.976 179.402 176.300 0.210 0.000 1.119 649 R CA 1.789 57.976 56.100 0.144 0.000 0.970 649 R CB -0.408 29.905 30.300 0.022 0.000 0.864 649 R HN 0.719 nan 8.270 nan 0.000 0.440 650 T N -1.398 113.301 114.554 0.243 0.000 2.822 650 T HA -0.261 4.089 4.350 0.001 0.000 0.270 650 T C 1.721 176.546 174.700 0.208 0.000 1.064 650 T CA 1.200 63.427 62.100 0.211 0.000 1.131 650 T CB -0.450 68.528 68.868 0.185 0.000 0.858 650 T HN 0.328 nan 8.240 nan 0.000 0.483 651 Y N 1.965 122.336 120.300 0.119 0.000 2.333 651 Y HA 0.088 4.639 4.550 0.002 0.000 0.290 651 Y C 1.854 177.797 175.900 0.072 0.000 1.144 651 Y CA 0.135 58.328 58.100 0.156 0.000 1.228 651 Y CB -0.607 37.997 38.460 0.240 0.000 0.985 651 Y HN 0.297 nan 8.280 nan 0.000 0.542 652 I N -0.121 120.341 120.570 -0.180 0.000 2.530 652 I HA -0.224 3.947 4.170 0.001 0.000 0.257 652 I C 1.481 177.246 176.117 -0.586 0.000 1.179 652 I CA 1.424 62.245 61.300 -0.799 0.000 1.440 652 I CB -0.314 37.445 38.000 -0.403 0.000 1.087 652 I HN 0.230 nan 8.210 nan 0.000 0.440 653 V N -3.413 116.375 119.914 -0.211 0.000 3.043 653 V HA 0.302 4.423 4.120 0.001 0.000 0.357 653 V C 0.462 176.505 176.094 -0.085 0.000 1.372 653 V CA -0.536 61.682 62.300 -0.138 0.000 1.214 653 V CB -0.305 31.489 31.823 -0.048 0.000 1.224 653 V HN 0.182 nan 8.190 nan 0.000 0.507 654 S N 0.357 116.017 115.700 -0.067 0.000 2.616 654 S HA 0.448 4.919 4.470 0.001 0.000 0.277 654 S C 0.994 175.582 174.600 -0.021 0.000 1.234 654 S CA -0.437 57.767 58.200 0.007 0.000 1.028 654 S CB 1.785 65.056 63.200 0.119 0.000 0.988 654 S HN 0.518 nan 8.310 nan 0.000 0.522 655 K N 1.658 122.041 120.400 -0.028 0.000 2.209 655 K HA 0.060 4.381 4.320 0.001 0.000 0.204 655 K C 1.068 177.624 176.600 -0.073 0.000 1.048 655 K CA 0.914 57.167 56.287 -0.056 0.000 0.940 655 K CB 0.069 32.529 32.500 -0.067 0.000 0.729 655 K HN 0.375 nan 8.250 nan 0.000 0.451 656 K N 0.623 120.986 120.400 -0.062 0.000 2.522 656 K HA 0.008 4.328 4.320 0.001 0.000 0.194 656 K C -0.104 176.488 176.600 -0.013 0.000 1.026 656 K CA -0.084 56.127 56.287 -0.127 0.000 1.119 656 K CB -0.433 31.980 32.500 -0.147 0.000 0.856 656 K HN 0.050 nan 8.250 nan 0.000 0.513 657 F N 3.194 122.969 119.950 -0.291 0.000 2.538 657 F HA -0.029 4.499 4.527 0.001 0.000 0.382 657 F C 1.157 176.828 175.800 -0.216 0.000 1.069 657 F CA -1.138 56.513 58.000 -0.580 0.000 1.138 657 F CB -0.435 38.270 39.000 -0.493 0.000 1.068 657 F HN 0.215 nan 8.300 nan 0.000 0.556 658 I N 3.521 123.685 120.570 -0.676 0.000 2.766 658 I HA -0.414 3.756 4.170 0.001 0.000 0.127 658 I C 1.325 177.329 176.117 -0.189 0.000 0.887 658 I CA 0.890 61.993 61.300 -0.329 0.000 2.784 658 I CB -1.928 35.778 38.000 -0.490 0.000 0.592 658 I HN 0.598 nan 8.210 nan 0.000 0.353 659 S N 2.195 117.835 115.700 -0.099 0.000 2.387 659 S HA -0.215 4.256 4.470 0.001 0.000 0.230 659 S C 2.034 176.613 174.600 -0.034 0.000 1.035 659 S CA 0.997 59.144 58.200 -0.088 0.000 1.014 659 S CB -0.424 62.691 63.200 -0.142 0.000 0.836 659 S HN 0.950 nan 8.310 nan 0.000 0.466 660 A N 1.442 124.282 122.820 0.032 0.000 2.172 660 A HA -0.026 4.295 4.320 0.001 0.000 0.216 660 A C 1.558 179.138 177.584 -0.006 0.000 1.154 660 A CA 1.325 53.382 52.037 0.034 0.000 0.701 660 A CB -0.304 18.743 19.000 0.077 0.000 0.789 660 A HN 0.533 nan 8.150 nan 0.000 0.465 661 D N -2.273 118.104 120.400 -0.037 0.000 2.441 661 D HA 0.289 4.930 4.640 0.001 0.000 0.210 661 D C 1.231 177.504 176.300 -0.046 0.000 1.102 661 D CA 1.050 55.022 54.000 -0.047 0.000 0.840 661 D CB 0.752 41.510 40.800 -0.069 0.000 0.990 661 D HN 0.532 nan 8.370 nan 0.000 0.505 662 G N 0.143 108.912 108.800 -0.052 0.000 2.227 662 G HA2 0.038 3.999 3.960 0.001 0.000 0.168 662 G HA3 0.038 3.999 3.960 0.001 0.000 0.168 662 G C 0.848 175.730 174.900 -0.030 0.000 1.006 662 G CA 0.109 45.188 45.100 -0.035 0.000 0.684 662 G HN 0.679 nan 8.290 nan 0.000 0.489 663 G N 0.260 109.024 108.800 -0.060 0.000 2.601 663 G HA2 -0.091 3.870 3.960 0.001 0.000 0.252 663 G HA3 -0.091 3.870 3.960 0.001 0.000 0.252 663 G C 1.261 176.281 174.900 0.200 0.000 1.294 663 G CA 1.189 46.291 45.100 0.004 0.000 0.912 663 G HN 1.741 nan 8.290 nan 0.000 0.574 664 I N -1.624 119.147 120.570 0.335 0.000 2.530 664 I HA 0.158 4.329 4.170 0.001 0.000 0.257 664 I C 2.743 179.068 176.117 0.347 0.000 1.179 664 I CA 2.449 63.982 61.300 0.389 0.000 1.440 664 I CB -0.696 37.364 38.000 0.100 0.000 1.087 664 I HN 1.103 nan 8.210 nan 0.000 0.440 665 A N 1.656 124.520 122.820 0.072 0.000 2.032 665 A HA -0.156 4.165 4.320 0.001 0.000 0.221 665 A C 2.304 180.080 177.584 0.320 0.000 1.165 665 A CA 1.381 53.408 52.037 -0.018 0.000 0.645 665 A CB -0.571 18.342 19.000 -0.144 0.000 0.807 665 A HN 0.441 nan 8.150 nan 0.000 0.453 666 R N -0.399 120.269 120.500 0.281 0.000 2.280 666 R HA 0.122 4.463 4.340 0.001 0.000 0.207 666 R C 0.132 176.635 176.300 0.339 0.000 1.043 666 R CA 0.178 56.438 56.100 0.266 0.000 1.006 666 R CB -0.601 29.783 30.300 0.139 0.000 0.885 666 R HN 0.552 nan 8.270 nan 0.000 0.467 667 I N 2.334 123.191 120.570 0.480 0.000 2.494 667 I HA -0.066 4.105 4.170 0.001 0.000 0.289 667 I C 1.631 177.977 176.117 0.381 0.000 1.106 667 I CA -0.059 61.488 61.300 0.411 0.000 1.369 667 I CB 1.039 39.294 38.000 0.425 0.000 1.410 667 I HN -0.158 nan 8.210 nan 0.000 0.523 668 V N 3.156 123.188 119.914 0.197 0.000 3.644 668 V HA 0.253 4.374 4.120 0.001 0.000 0.267 668 V C -0.036 176.178 176.094 0.201 0.000 1.277 668 V CA -0.182 62.153 62.300 0.058 0.000 1.096 668 V CB -0.451 31.311 31.823 -0.101 0.000 0.828 668 V HN 0.802 nan 8.190 nan 0.000 0.446 669 W N -0.004 121.302 121.300 0.011 0.000 3.573 669 W HA 0.746 5.407 4.660 0.001 0.000 0.306 669 W C -1.422 175.074 176.519 -0.039 0.000 1.227 669 W CA -0.664 56.667 57.345 -0.023 0.000 1.212 669 W CB 1.751 31.199 29.460 -0.021 0.000 1.331 669 W HN -0.055 nan 8.180 nan 0.000 0.524 670 M N 6.732 125.957 119.600 -0.626 0.000 2.413 670 M HA 0.313 4.794 4.480 0.001 0.000 0.287 670 M C -2.472 173.130 176.300 -1.162 0.000 1.186 670 M CA -1.747 53.187 55.300 -0.609 0.000 0.927 670 M CB 3.086 35.442 32.600 -0.407 0.000 1.715 670 M HN 0.050 nan 8.290 nan 0.000 0.478 671 P HA 0.104 nan 4.420 nan 0.000 0.272 671 P C -0.290 176.656 177.300 -0.589 0.000 1.223 671 P CA -0.065 62.478 63.100 -0.927 0.000 0.784 671 P CB 0.632 31.803 31.700 -0.881 0.000 0.923 672 K N 1.604 121.725 120.400 -0.466 0.000 2.147 672 K HA -0.147 4.174 4.320 0.001 0.000 0.205 672 K C 1.881 178.366 176.600 -0.190 0.000 1.049 672 K CA 1.924 58.037 56.287 -0.290 0.000 0.936 672 K CB -0.302 32.076 32.500 -0.203 0.000 0.722 672 K HN 0.536 nan 8.250 nan 0.000 0.446 673 S N 1.052 116.656 115.700 -0.160 0.000 2.368 673 S HA -0.187 4.284 4.470 0.001 0.000 0.225 673 S C 2.004 176.578 174.600 -0.042 0.000 1.030 673 S CA 0.963 59.121 58.200 -0.070 0.000 0.999 673 S CB -0.620 62.559 63.200 -0.035 0.000 0.844 673 S HN 0.359 nan 8.310 nan 0.000 0.459 674 L N 0.913 122.070 121.223 -0.110 0.000 2.046 674 L HA -0.115 4.226 4.340 0.001 0.000 0.208 674 L C 2.709 179.541 176.870 -0.063 0.000 1.077 674 L CA 1.779 56.583 54.840 -0.060 0.000 0.747 674 L CB -0.452 41.526 42.059 -0.136 0.000 0.896 674 L HN 0.344 nan 8.230 nan 0.000 0.432 675 K N -0.061 120.221 120.400 -0.196 0.000 2.020 675 K HA -0.230 4.091 4.320 0.001 0.000 0.212 675 K C 1.705 178.259 176.600 -0.077 0.000 1.050 675 K CA 2.175 58.319 56.287 -0.239 0.000 0.929 675 K CB -0.109 32.236 32.500 -0.257 0.000 0.714 675 K HN 0.363 nan 8.250 nan 0.000 0.443 676 D N -0.184 120.194 120.400 -0.036 0.000 2.117 676 D HA -0.181 4.459 4.640 0.001 0.000 0.197 676 D C 1.729 178.065 176.300 0.060 0.000 0.987 676 D CA 0.954 54.961 54.000 0.010 0.000 0.829 676 D CB -0.274 40.524 40.800 -0.004 0.000 0.961 676 D HN 0.122 nan 8.370 nan 0.000 0.460 677 F N 1.017 120.938 119.950 -0.047 0.000 2.171 677 F HA -0.091 4.436 4.527 0.001 0.000 0.300 677 F C 1.986 177.785 175.800 -0.003 0.000 1.090 677 F CA 1.164 59.150 58.000 -0.025 0.000 1.293 677 F CB -0.011 38.967 39.000 -0.037 0.000 1.013 677 F HN -0.115 nan 8.300 nan 0.000 0.486 678 L N -1.308 119.913 121.223 -0.003 0.000 2.585 678 L HA 0.015 4.355 4.340 0.001 0.000 0.226 678 L C 2.033 178.914 176.870 0.018 0.000 1.113 678 L CA 0.309 55.137 54.840 -0.020 0.000 0.876 678 L CB -0.799 41.303 42.059 0.071 0.000 1.072 678 L HN 0.163 nan 8.230 nan 0.000 0.468 679 H N 1.348 120.378 119.070 -0.066 0.000 2.260 679 H HA -0.281 4.276 4.556 0.001 0.000 0.288 679 H C 1.715 177.066 175.328 0.040 0.000 1.094 679 H CA 2.692 58.727 56.048 -0.022 0.000 1.197 679 H CB 0.225 29.956 29.762 -0.051 0.000 1.346 679 H HN 0.245 nan 8.280 nan 0.000 0.486 680 D N -0.182 120.256 120.400 0.063 0.000 2.077 680 D HA -0.108 4.532 4.640 0.001 0.000 0.196 680 D C 2.221 178.501 176.300 -0.035 0.000 0.986 680 D CA 1.572 55.583 54.000 0.019 0.000 0.829 680 D CB -0.477 40.355 40.800 0.054 0.000 0.983 680 D HN 0.579 nan 8.370 nan 0.000 0.453 681 E N 0.124 120.307 120.200 -0.028 0.000 2.209 681 E HA -0.124 4.227 4.350 0.001 0.000 0.196 681 E C 1.793 178.372 176.600 -0.034 0.000 0.993 681 E CA 0.352 56.730 56.400 -0.037 0.000 0.819 681 E CB -0.406 29.269 29.700 -0.042 0.000 0.745 681 E HN 0.284 nan 8.360 nan 0.000 0.477 682 F N 0.576 120.442 119.950 -0.139 0.000 2.060 682 F HA -0.180 4.348 4.527 0.001 0.000 0.295 682 F C 2.098 177.821 175.800 -0.128 0.000 1.120 682 F CA 1.013 58.933 58.000 -0.134 0.000 1.205 682 F CB -0.289 38.620 39.000 -0.152 0.000 0.986 682 F HN -0.161 nan 8.300 nan 0.000 0.470 683 V N 1.409 121.322 119.914 -0.002 0.000 2.324 683 V HA -0.375 3.745 4.120 0.001 0.000 0.250 683 V C 2.598 178.633 176.094 -0.098 0.000 1.060 683 V CA 2.424 64.681 62.300 -0.072 0.000 1.042 683 V CB -0.854 30.858 31.823 -0.184 0.000 0.650 683 V HN 0.369 nan 8.190 nan 0.000 0.450 684 R N -0.252 120.187 120.500 -0.101 0.000 2.081 684 R HA -0.168 4.173 4.340 0.001 0.000 0.235 684 R C 2.503 178.725 176.300 -0.130 0.000 1.131 684 R CA 1.428 57.472 56.100 -0.093 0.000 0.960 684 R CB -0.192 30.066 30.300 -0.070 0.000 0.856 684 R HN 0.344 nan 8.270 nan 0.000 0.436 685 R N 0.315 120.697 120.500 -0.196 0.000 2.092 685 R HA -0.021 4.319 4.340 0.001 0.000 0.231 685 R C 2.295 178.438 176.300 -0.262 0.000 1.119 685 R CA 1.630 57.583 56.100 -0.244 0.000 0.970 685 R CB -0.442 29.659 30.300 -0.331 0.000 0.864 685 R HN 0.305 nan 8.270 nan 0.000 0.440 686 S N 0.756 116.280 115.700 -0.294 0.000 2.399 686 S HA -0.078 4.393 4.470 0.001 0.000 0.231 686 S C 2.244 176.753 174.600 -0.152 0.000 1.022 686 S CA 1.127 59.201 58.200 -0.210 0.000 0.983 686 S CB -0.395 62.797 63.200 -0.014 0.000 0.803 686 S HN 0.015 nan 8.310 nan 0.000 0.480 687 V N 2.679 122.524 119.914 -0.115 0.000 2.261 687 V HA -0.219 3.902 4.120 0.001 0.000 0.246 687 V C 2.464 178.499 176.094 -0.099 0.000 1.047 687 V CA 1.915 64.162 62.300 -0.088 0.000 1.015 687 V CB -0.808 30.976 31.823 -0.065 0.000 0.642 687 V HN 0.547 nan 8.190 nan 0.000 0.446 688 E N -0.122 120.014 120.200 -0.107 0.000 2.204 688 E HA -0.201 4.150 4.350 0.001 0.000 0.195 688 E C 1.861 178.395 176.600 -0.110 0.000 0.990 688 E CA 1.039 57.380 56.400 -0.098 0.000 0.821 688 E CB -0.137 29.505 29.700 -0.096 0.000 0.750 688 E HN 0.601 nan 8.360 nan 0.000 0.477 689 E N -0.236 119.879 120.200 -0.143 0.000 2.489 689 E HA 0.032 4.383 4.350 0.001 0.000 0.193 689 E C 1.031 177.535 176.600 -0.160 0.000 1.057 689 E CA 0.516 56.821 56.400 -0.158 0.000 0.866 689 E CB 0.719 30.296 29.700 -0.206 0.000 0.916 689 E HN 0.379 nan 8.360 nan 0.000 0.500 690 G N 1.626 110.343 108.800 -0.138 0.000 2.160 690 G HA2 -0.280 3.681 3.960 0.001 0.000 0.244 690 G HA3 -0.280 3.681 3.960 0.001 0.000 0.244 690 G C 0.756 175.567 174.900 -0.149 0.000 1.022 690 G CA 0.466 45.494 45.100 -0.120 0.000 0.741 690 G HN 0.345 nan 8.290 nan 0.000 0.508 691 L N -0.114 120.991 121.223 -0.198 0.000 2.616 691 L HA 0.502 4.843 4.340 0.001 0.000 0.229 691 L C 1.469 178.268 176.870 -0.120 0.000 1.110 691 L CA 0.529 55.207 54.840 -0.269 0.000 0.884 691 L CB 0.128 41.829 42.059 -0.597 0.000 1.115 691 L HN 1.149 nan 8.230 nan 0.000 0.481 692 G N 0.559 109.322 108.800 -0.062 0.000 2.784 692 G HA2 -0.160 3.801 3.960 0.001 0.000 0.686 692 G HA3 -0.160 3.801 3.960 0.001 0.000 0.686 692 G C 0.056 174.980 174.900 0.040 0.000 1.156 692 G CA -0.564 44.535 45.100 -0.002 0.000 0.757 692 G HN 0.159 nan 8.290 nan 0.000 0.642 693 E N 0.633 120.848 120.200 0.025 0.000 2.160 693 E HA -0.075 4.276 4.350 0.001 0.000 0.195 693 E C 1.948 178.589 176.600 0.068 0.000 0.991 693 E CA 1.868 58.286 56.400 0.031 0.000 0.810 693 E CB 0.020 29.732 29.700 0.019 0.000 0.742 693 E HN 0.741 nan 8.360 nan 0.000 0.466 694 D N -0.347 120.101 120.400 0.080 0.000 2.340 694 D HA -0.061 4.580 4.640 0.001 0.000 0.217 694 D C 1.359 177.731 176.300 0.121 0.000 1.081 694 D CA -0.348 53.701 54.000 0.082 0.000 0.842 694 D CB -0.417 40.415 40.800 0.054 0.000 0.934 694 D HN 0.117 nan 8.370 nan 0.000 0.511 695 F N 2.085 122.039 119.950 0.007 0.000 2.085 695 F HA -0.252 4.276 4.527 0.001 0.000 0.299 695 F C 1.880 177.733 175.800 0.088 0.000 1.096 695 F CA 1.308 59.314 58.000 0.011 0.000 1.227 695 F CB -0.564 38.432 39.000 -0.006 0.000 0.983 695 F HN 0.023 nan 8.300 nan 0.000 0.482 696 I N 0.057 120.591 120.570 -0.060 0.000 2.502 696 I HA -0.311 3.860 4.170 0.001 0.000 0.258 696 I C 1.369 177.373 176.117 -0.188 0.000 1.172 696 I CA 1.821 62.989 61.300 -0.219 0.000 1.430 696 I CB -0.448 37.474 38.000 -0.130 0.000 1.086 696 I HN 0.155 nan 8.210 nan 0.000 0.440 697 D N 0.378 120.738 120.400 -0.068 0.000 2.348 697 D HA -0.055 4.586 4.640 0.001 0.000 0.211 697 D C 1.807 178.138 176.300 0.052 0.000 0.998 697 D CA 0.555 54.559 54.000 0.006 0.000 0.873 697 D CB 0.135 40.959 40.800 0.039 0.000 0.925 697 D HN 0.418 nan 8.370 nan 0.000 0.524 698 K N 0.227 120.608 120.400 -0.032 0.000 2.365 698 K HA 0.125 4.446 4.320 0.001 0.000 0.197 698 K C 0.886 177.614 176.600 0.214 0.000 1.042 698 K CA 0.266 56.560 56.287 0.012 0.000 0.987 698 K CB 0.696 33.191 32.500 -0.009 0.000 0.779 698 K HN 0.112 nan 8.250 nan 0.000 0.484 699 I N 2.067 122.662 120.570 0.042 0.000 2.496 699 I HA 0.039 4.210 4.170 0.001 0.000 0.285 699 I C 0.564 176.735 176.117 0.090 0.000 1.080 699 I CA -0.640 60.712 61.300 0.087 0.000 1.404 699 I CB 0.912 38.793 38.000 -0.199 0.000 1.403 699 I HN 0.065 nan 8.210 nan 0.000 0.539 700 A N 5.359 128.238 122.820 0.099 0.000 2.327 700 A HA 0.495 4.816 4.320 0.001 0.000 0.255 700 A C -0.422 176.830 177.584 -0.554 0.000 1.099 700 A CA -0.134 51.811 52.037 -0.152 0.000 0.801 700 A CB 0.403 19.438 19.000 0.060 0.000 1.062 700 A HN 0.867 nan 8.150 nan 0.000 0.496 701 D N -2.534 117.470 120.400 -0.660 0.000 2.692 701 D HA 0.365 5.006 4.640 0.001 0.000 0.303 701 D C 0.032 176.124 176.300 -0.347 0.000 1.278 701 D CA -0.435 53.003 54.000 -0.937 0.000 0.852 701 D CB -0.021 40.398 40.800 -0.633 0.000 1.375 701 D HN 0.300 nan 8.370 nan 0.000 0.453 702 E N -0.724 119.371 120.200 -0.175 0.000 2.187 702 E HA -0.181 4.169 4.350 0.001 0.000 0.199 702 E C 1.691 178.327 176.600 0.061 0.000 1.004 702 E CA 2.426 58.933 56.400 0.177 0.000 0.813 702 E CB -0.631 29.166 29.700 0.163 0.000 0.736 702 E HN 0.683 nan 8.360 nan 0.000 0.468 703 T N -1.613 112.907 114.554 -0.057 0.000 3.118 703 T HA 0.010 4.361 4.350 0.001 0.000 0.260 703 T C 1.743 176.387 174.700 -0.094 0.000 1.139 703 T CA 0.783 62.847 62.100 -0.059 0.000 1.085 703 T CB -0.272 68.547 68.868 -0.083 0.000 0.934 703 T HN 0.360 nan 8.240 nan 0.000 0.518 704 I N -1.522 118.961 120.570 -0.145 0.000 3.445 704 I HA 0.700 4.871 4.170 0.001 0.000 0.288 704 I C 0.762 176.855 176.117 -0.040 0.000 1.198 704 I CA 0.121 61.312 61.300 -0.181 0.000 1.417 704 I CB 0.444 38.121 38.000 -0.537 0.000 1.205 704 I HN 0.320 nan 8.210 nan 0.000 0.448 705 G N -0.079 108.771 108.800 0.083 0.000 2.349 705 G HA2 0.386 4.347 3.960 0.001 0.000 0.294 705 G HA3 0.386 4.347 3.960 0.001 0.000 0.294 705 G C -0.149 174.887 174.900 0.228 0.000 1.380 705 G CA 0.107 45.282 45.100 0.125 0.000 0.811 705 G HN 0.236 nan 8.290 nan 0.000 0.519 706 T N -3.023 111.570 114.554 0.065 0.000 3.058 706 T HA 0.482 4.833 4.350 0.001 0.000 0.278 706 T C 0.705 175.296 174.700 -0.180 0.000 0.974 706 T CA 1.049 63.110 62.100 -0.065 0.000 0.893 706 T CB 0.176 69.045 68.868 0.002 0.000 1.138 706 T HN 1.562 nan 8.240 nan 0.000 0.529 707 T N -1.530 112.957 114.554 -0.111 0.000 2.906 707 T HA 0.599 4.950 4.350 0.001 0.000 0.295 707 T C 1.157 175.811 174.700 -0.076 0.000 1.061 707 T CA -0.441 61.595 62.100 -0.107 0.000 1.000 707 T CB 1.771 70.604 68.868 -0.058 0.000 1.103 707 T HN -0.192 nan 8.240 nan 0.000 0.486 708 V N 1.531 121.402 119.914 -0.072 0.000 2.252 708 V HA -0.186 3.934 4.120 0.001 0.000 0.249 708 V C 2.416 178.510 176.094 -0.001 0.000 1.056 708 V CA 2.392 64.672 62.300 -0.033 0.000 1.022 708 V CB -0.774 31.031 31.823 -0.030 0.000 0.641 708 V HN 0.924 nan 8.190 nan 0.000 0.445 709 D N -0.559 119.838 120.400 -0.003 0.000 2.182 709 D HA -0.168 4.473 4.640 0.001 0.000 0.201 709 D C 2.225 178.539 176.300 0.024 0.000 0.986 709 D CA 1.208 55.214 54.000 0.011 0.000 0.847 709 D CB -0.142 40.660 40.800 0.004 0.000 0.942 709 D HN 0.581 nan 8.370 nan 0.000 0.467 710 E N -0.470 119.743 120.200 0.021 0.000 2.170 710 E HA -0.015 4.336 4.350 0.001 0.000 0.191 710 E C 2.076 178.715 176.600 0.064 0.000 0.981 710 E CA 0.336 56.757 56.400 0.036 0.000 0.830 710 E CB 0.203 29.918 29.700 0.025 0.000 0.775 710 E HN 0.454 nan 8.360 nan 0.000 0.470 711 I N -2.154 118.459 120.570 0.072 0.000 3.941 711 I HA 0.079 4.250 4.170 0.001 0.000 0.321 711 I C 1.789 178.002 176.117 0.161 0.000 1.284 711 I CA -0.056 61.321 61.300 0.128 0.000 1.226 711 I CB 0.300 38.402 38.000 0.170 0.000 1.045 711 I HN -0.020 nan 8.210 nan 0.000 0.420 712 L N 2.636 123.923 121.223 0.106 0.000 2.044 712 L HA 0.198 4.539 4.340 0.001 0.000 0.205 712 L C -0.543 176.392 176.870 0.109 0.000 1.075 712 L CA 2.051 56.946 54.840 0.091 0.000 0.747 712 L CB -1.566 40.523 42.059 0.051 0.000 0.903 712 L HN 0.098 nan 8.230 nan 0.000 0.435 713 P HA -0.217 nan 4.420 nan 0.000 0.218 713 P C 1.304 178.687 177.300 0.137 0.000 1.148 713 P CA 1.376 64.537 63.100 0.101 0.000 0.822 713 P CB -0.233 31.521 31.700 0.090 0.000 0.784 714 Y N 0.212 120.542 120.300 0.050 0.000 2.242 714 Y HA -0.115 4.436 4.550 0.001 0.000 0.291 714 Y C 1.948 177.893 175.900 0.075 0.000 1.137 714 Y CA 1.326 59.460 58.100 0.058 0.000 1.181 714 Y CB -0.788 37.708 38.460 0.060 0.000 0.989 714 Y HN -0.204 nan 8.280 nan 0.000 0.527 715 L N -0.195 121.151 121.223 0.204 0.000 2.109 715 L HA -0.145 4.196 4.340 0.001 0.000 0.207 715 L C 2.314 179.230 176.870 0.078 0.000 1.086 715 L CA 1.425 56.352 54.840 0.145 0.000 0.760 715 L CB -0.470 41.658 42.059 0.116 0.000 0.910 715 L HN 0.209 nan 8.230 nan 0.000 0.437 716 E N 0.013 120.250 120.200 0.061 0.000 2.031 716 E HA -0.278 4.073 4.350 0.001 0.000 0.193 716 E C 2.123 178.725 176.600 0.004 0.000 0.994 716 E CA 1.330 57.754 56.400 0.040 0.000 0.800 716 E CB -0.052 29.673 29.700 0.041 0.000 0.752 716 E HN 0.374 nan 8.360 nan 0.000 0.447 717 E N 0.563 120.747 120.200 -0.026 0.000 2.118 717 E HA -0.212 4.139 4.350 0.001 0.000 0.195 717 E C 1.457 177.992 176.600 -0.109 0.000 0.992 717 E CA 0.918 57.281 56.400 -0.062 0.000 0.804 717 E CB 0.223 29.880 29.700 -0.071 0.000 0.741 717 E HN -0.035 nan 8.360 nan 0.000 0.458 718 K N -0.674 119.619 120.400 -0.179 0.000 2.487 718 K HA 0.028 4.349 4.320 0.001 0.000 0.192 718 K C 0.919 177.486 176.600 -0.053 0.000 1.027 718 K CA 0.743 56.916 56.287 -0.189 0.000 1.054 718 K CB 0.490 32.772 32.500 -0.364 0.000 0.824 718 K HN 0.320 nan 8.250 nan 0.000 0.510 719 G N 2.292 111.091 108.800 -0.001 0.000 2.176 719 G HA2 -0.277 3.684 3.960 0.001 0.000 0.252 719 G HA3 -0.277 3.684 3.960 0.001 0.000 0.252 719 G C -0.090 174.861 174.900 0.085 0.000 1.024 719 G CA 0.214 45.334 45.100 0.033 0.000 0.755 719 G HN 0.500 nan 8.290 nan 0.000 0.507 720 H N 1.469 120.571 119.070 0.053 0.000 3.046 720 H HA 0.169 4.726 4.556 0.001 0.000 0.303 720 H C -0.523 174.874 175.328 0.114 0.000 1.002 720 H CA -0.585 55.542 56.048 0.132 0.000 1.460 720 H CB 1.395 31.243 29.762 0.144 0.000 1.493 720 H HN 0.192 nan 8.280 nan 0.000 0.559 721 P HA -0.117 nan 4.420 nan 0.000 0.222 721 P C 1.191 178.617 177.300 0.210 0.000 1.147 721 P CA 1.302 64.460 63.100 0.097 0.000 0.790 721 P CB 0.070 31.714 31.700 -0.094 0.000 0.780 722 A N 0.829 123.937 122.820 0.479 0.000 1.917 722 A HA -0.180 4.141 4.320 0.001 0.000 0.219 722 A C 2.382 180.052 177.584 0.144 0.000 1.182 722 A CA 1.527 53.731 52.037 0.278 0.000 0.633 722 A CB -1.634 17.512 19.000 0.244 0.000 0.819 722 A HN 0.148 nan 8.150 nan 0.000 0.448 723 L N -0.352 120.960 121.223 0.148 0.000 2.081 723 L HA -0.175 4.166 4.340 0.001 0.000 0.212 723 L C 2.290 179.195 176.870 0.058 0.000 1.080 723 L CA 1.865 56.753 54.840 0.081 0.000 0.754 723 L CB -0.910 41.199 42.059 0.083 0.000 0.893 723 L HN 0.653 nan 8.230 nan 0.000 0.433 724 T N -4.713 109.877 114.554 0.060 0.000 3.129 724 T HA 0.293 4.644 4.350 0.001 0.000 0.267 724 T C 0.599 175.313 174.700 0.024 0.000 1.018 724 T CA -0.251 61.870 62.100 0.034 0.000 0.903 724 T CB 0.174 69.058 68.868 0.027 0.000 1.067 724 T HN -0.016 nan 8.240 nan 0.000 0.549 725 M N 2.308 121.926 119.600 0.030 0.000 2.198 725 M HA 0.202 4.683 4.480 0.001 0.000 0.315 725 M C -0.116 176.190 176.300 0.010 0.000 1.134 725 M CA -0.296 55.014 55.300 0.017 0.000 1.171 725 M CB 0.394 33.008 32.600 0.024 0.000 1.413 725 M HN 0.134 nan 8.290 nan 0.000 0.467 726 D N 3.100 123.502 120.400 0.002 0.000 2.472 726 D HA 0.087 4.728 4.640 0.001 0.000 0.237 726 D C -2.108 174.192 176.300 0.000 0.000 1.141 726 D CA -0.458 53.542 54.000 -0.001 0.000 0.875 726 D CB -0.149 40.648 40.800 -0.006 0.000 1.192 726 D HN 0.274 nan 8.370 nan 0.000 0.450 727 P HA -0.023 nan 4.420 nan 0.000 0.267 727 P C 0.713 178.008 177.300 -0.008 0.000 1.201 727 P CA 0.011 63.109 63.100 -0.003 0.000 0.775 727 P CB 0.963 32.661 31.700 -0.004 0.000 0.854 728 I N 0.808 121.371 120.570 -0.012 0.000 3.081 728 I HA 0.063 4.234 4.170 0.001 0.000 0.274 728 I C 0.310 176.412 176.117 -0.026 0.000 1.178 728 I CA 0.577 61.865 61.300 -0.020 0.000 1.460 728 I CB 0.227 38.213 38.000 -0.024 0.000 1.137 728 I HN 0.220 nan 8.210 nan 0.000 0.443 729 M N 0.000 119.586 119.600 -0.024 0.000 2.572 729 M HA 0.000 4.481 4.480 0.001 0.000 0.227 729 M CA 0.000 55.287 55.300 -0.022 0.000 0.988 729 M CB 0.000 32.589 32.600 -0.019 0.000 1.302 729 M HN 0.000 nan 8.290 nan 0.000 0.411