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 1h38_1_D DATA FIRST_RESID 2 DATA SEQUENCE NTINIAKNDF SDIELAAIPF NTLADHYGER LAREQLALEH ESYEMGEARF DATA SEQUENCE RKMFERQLKA GEVADNAAAK PLITTLLPKM IARINDWFEE VKAKRGKRPT DATA SEQUENCE AFQFLQEIKP EAVAYITIKT TLACLTSADN TTVQAVASAI GRAIEDEARF DATA SEQUENCE GRIRDLEAKH FKKNVEEQLN KRVGHVYKKA FMQVVEADML SKGLLGGEAW DATA SEQUENCE SSWHKEDSIH VGVRCIEMLI ESTGMVSLHR QNAGVVGQDS ETIELAPEYA DATA SEQUENCE EAIATRAGAL AGISPMFQPC VVPPKPWTGI TGGGYWANGR RPLALVRTHS DATA SEQUENCE KKALMRYEDV YMPEVYKAIN IAQNTAWKIN KKVLAVANVI TKWKHCPVED DATA SEQUENCE IPAIXXXXXX XXXXXXXXXX EALTAWKRAA AAVYRKDKAR KSRRISLEFM DATA SEQUENCE LEQANKFANH KAIWFPYNMD WRGRVYAVSM FNPQGNDMTK GLLTLAKGKP DATA SEQUENCE IGKEGYYWLK IHGANCAGVD KVPFPERIKF IEENHENIMA CAKSPLENTW DATA SEQUENCE WAEQDSPFCF LAFCFEYAGV QHHGLSYNCS LPLAFDGSCS GIQHFSAMLR DATA SEQUENCE DEVGGRAVNL LPSETVQDIY GIVAKKVNEI LQADAINGTD NEVVTVTDEN DATA SEQUENCE TGEISEKVKL GTKALAGQWL AYGVTRSVTK RSVMTLAYGS KEFGFRQQVL DATA SEQUENCE EDTIQPAIDS GKGLMFTQPN QAAGYMAKLI WESVSVTVVA AVEAMNWLKS DATA SEQUENCE AAKLLAAEVK DKKTGEILRK RCAVHWVTPD GFPVWQEYKK PIQTRLNLMF DATA SEQUENCE LGQFRXXXXX XXXXDSEIDA HKQESGIAPN FVHSQDGSHL RKTVVWAHEK DATA SEQUENCE YGIESFALIH DSFGTIPADA ANLFKAVRET MVDTYESCDV LADFYDQFAD DATA SEQUENCE QLHESQLDKM PALPAKGNLN LRDILESDFA FA 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 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.575 175.510 0.108 0.000 1.280 2 N CA 0.000 53.103 53.050 0.088 0.000 0.885 2 N CB 0.000 38.526 38.487 0.064 0.000 1.341 3 T N -1.451 113.181 114.554 0.129 0.000 2.875 3 T HA 0.547 4.896 4.350 -0.001 0.000 0.284 3 T C 0.955 175.685 174.700 0.049 0.000 0.995 3 T CA -0.597 61.570 62.100 0.113 0.000 1.060 3 T CB 1.399 70.366 68.868 0.165 0.000 0.967 3 T HN 0.192 nan 8.240 nan 0.000 0.476 4 I N 3.916 124.493 120.570 0.011 0.000 2.849 4 I HA -0.047 4.122 4.170 -0.001 0.000 0.288 4 I C 0.497 176.587 176.117 -0.044 0.000 1.156 4 I CA -0.312 60.977 61.300 -0.019 0.000 1.394 4 I CB -0.604 37.372 38.000 -0.041 0.000 1.462 4 I HN 0.600 nan 8.210 nan 0.000 0.587 5 N N 7.596 126.283 118.700 -0.022 0.000 2.365 5 N HA -0.065 4.674 4.740 -0.001 0.000 0.265 5 N C 0.963 176.420 175.510 -0.089 0.000 1.288 5 N CA 0.019 53.051 53.050 -0.029 0.000 0.869 5 N CB 1.468 39.956 38.487 0.003 0.000 1.071 5 N HN 0.538 nan 8.380 nan 0.000 0.480 6 I N 1.129 121.604 120.570 -0.158 0.000 2.617 6 I HA -0.108 4.062 4.170 -0.001 0.000 0.256 6 I C 1.630 177.564 176.117 -0.305 0.000 1.167 6 I CA 0.539 61.636 61.300 -0.338 0.000 1.469 6 I CB -1.053 36.583 38.000 -0.607 0.000 1.098 6 I HN 0.516 nan 8.210 nan 0.000 0.436 7 A N 1.425 124.190 122.820 -0.092 0.000 2.253 7 A HA -0.054 4.265 4.320 -0.001 0.000 0.225 7 A C 1.164 178.786 177.584 0.063 0.000 1.521 7 A CA 0.692 52.779 52.037 0.083 0.000 1.494 7 A CB -0.725 18.358 19.000 0.138 0.000 0.804 7 A HN 0.356 nan 8.150 nan 0.000 0.614 8 K N -1.011 119.391 120.400 0.003 0.000 2.479 8 K HA 0.275 4.594 4.320 -0.001 0.000 0.284 8 K C 0.720 177.340 176.600 0.033 0.000 0.968 8 K CA -0.736 55.561 56.287 0.017 0.000 1.226 8 K CB 0.175 32.665 32.500 -0.016 0.000 3.370 8 K HN 0.200 nan 8.250 nan 0.000 1.103 9 N N 2.119 120.824 118.700 0.008 0.000 2.571 9 N HA -0.122 4.618 4.740 -0.001 0.000 0.189 9 N C 0.717 176.231 175.510 0.006 0.000 1.154 9 N CA 0.706 53.768 53.050 0.019 0.000 0.907 9 N CB 0.095 38.587 38.487 0.008 0.000 0.977 9 N HN 0.407 nan 8.380 nan 0.000 0.449 10 D N 0.559 120.928 120.400 -0.051 0.000 2.083 10 D HA -0.134 4.505 4.640 -0.001 0.000 0.199 10 D C 1.398 177.681 176.300 -0.028 0.000 0.980 10 D CA 0.969 54.895 54.000 -0.124 0.000 0.851 10 D CB -0.147 40.451 40.800 -0.336 0.000 0.997 10 D HN -0.003 nan 8.370 nan 0.000 0.449 11 F N 1.272 121.218 119.950 -0.006 0.000 2.365 11 F HA -0.050 4.476 4.527 -0.001 0.000 0.300 11 F C 2.859 178.748 175.800 0.148 0.000 1.090 11 F CA 0.597 58.585 58.000 -0.020 0.000 1.408 11 F CB -1.197 37.732 39.000 -0.117 0.000 1.060 11 F HN -0.000 nan 8.300 nan 0.000 0.534 12 S N 0.212 116.097 115.700 0.308 0.000 2.407 12 S HA -0.310 4.160 4.470 -0.001 0.000 0.235 12 S C 2.099 176.786 174.600 0.146 0.000 1.036 12 S CA 1.830 60.150 58.200 0.200 0.000 1.013 12 S CB -0.568 62.697 63.200 0.109 0.000 0.820 12 S HN 0.504 nan 8.310 nan 0.000 0.476 13 D N 1.411 121.889 120.400 0.129 0.000 2.157 13 D HA -0.196 4.443 4.640 -0.001 0.000 0.191 13 D C 0.947 177.309 176.300 0.102 0.000 1.004 13 D CA 1.588 55.644 54.000 0.093 0.000 0.854 13 D CB -0.625 40.216 40.800 0.068 0.000 0.936 13 D HN 0.635 nan 8.370 nan 0.000 0.446 14 I N 1.341 121.991 120.570 0.133 0.000 3.205 14 I HA -0.020 4.150 4.170 -0.001 0.000 0.283 14 I C -0.133 176.035 176.117 0.085 0.000 1.157 14 I CA 0.061 61.433 61.300 0.121 0.000 1.675 14 I CB -1.028 37.059 38.000 0.145 0.000 1.241 14 I HN 0.029 nan 8.210 nan 0.000 0.669 15 E N 2.720 122.965 120.200 0.076 0.000 2.481 15 E HA -0.079 4.270 4.350 -0.001 0.000 0.240 15 E C 1.134 177.742 176.600 0.014 0.000 1.193 15 E CA -0.080 56.346 56.400 0.044 0.000 0.955 15 E CB 0.177 29.932 29.700 0.092 0.000 1.006 15 E HN 0.588 nan 8.360 nan 0.000 0.483 16 L N -0.147 121.017 121.223 -0.098 0.000 2.633 16 L HA 0.040 4.380 4.340 -0.001 0.000 0.235 16 L C 1.534 178.243 176.870 -0.267 0.000 1.163 16 L CA 0.694 55.403 54.840 -0.218 0.000 0.859 16 L CB -0.208 41.733 42.059 -0.196 0.000 0.973 16 L HN 0.417 nan 8.230 nan 0.000 0.451 17 A N -0.026 122.768 122.820 -0.043 0.000 1.988 17 A HA 0.740 5.059 4.320 -0.001 0.000 0.198 17 A C 1.167 179.010 177.584 0.432 0.000 1.507 17 A CA 0.516 52.614 52.037 0.102 0.000 0.901 17 A CB 0.133 19.166 19.000 0.056 0.000 1.007 17 A HN 0.356 nan 8.150 nan 0.000 0.502 18 A N 0.420 123.457 122.820 0.362 0.000 2.357 18 A HA 0.718 5.037 4.320 -0.001 0.000 0.295 18 A C -0.885 176.858 177.584 0.266 0.000 1.121 18 A CA -0.265 51.944 52.037 0.288 0.000 0.742 18 A CB 0.728 19.799 19.000 0.118 0.000 1.181 18 A HN 0.353 nan 8.150 nan 0.000 0.454 19 I N 2.371 123.067 120.570 0.210 0.000 2.768 19 I HA 0.240 4.410 4.170 -0.001 0.000 0.298 19 I C -2.593 173.511 176.117 -0.022 0.000 1.672 19 I CA -1.234 60.178 61.300 0.188 0.000 0.962 19 I CB 2.584 40.808 38.000 0.374 0.000 1.409 19 I HN 0.450 nan 8.210 nan 0.000 0.549 20 P HA 0.091 nan 4.420 nan 0.000 0.237 20 P C 0.270 177.590 177.300 0.032 0.000 1.701 20 P CA 0.295 63.368 63.100 -0.045 0.000 0.955 20 P CB -1.200 30.508 31.700 0.013 0.000 1.937 21 F N -0.934 119.040 119.950 0.041 0.000 2.653 21 F HA 0.316 4.843 4.527 -0.001 0.000 0.304 21 F C 1.267 177.071 175.800 0.006 0.000 1.092 21 F CA -0.799 57.224 58.000 0.038 0.000 1.279 21 F CB -1.160 37.860 39.000 0.033 0.000 1.044 21 F HN -0.160 nan 8.300 nan 0.000 0.564 22 N N 1.001 119.527 118.700 -0.289 0.000 2.588 22 N HA -0.140 4.599 4.740 -0.001 0.000 0.190 22 N C 1.212 176.700 175.510 -0.037 0.000 1.094 22 N CA 1.456 54.390 53.050 -0.194 0.000 0.921 22 N CB -0.486 37.852 38.487 -0.248 0.000 0.959 22 N HN 0.441 nan 8.380 nan 0.000 0.448 23 T N 1.699 116.263 114.554 0.017 0.000 2.668 23 T HA 0.004 4.354 4.350 -0.001 0.000 0.258 23 T C 2.248 176.951 174.700 0.005 0.000 1.051 23 T CA 0.424 62.530 62.100 0.009 0.000 1.155 23 T CB -0.326 68.603 68.868 0.101 0.000 0.864 23 T HN 0.088 nan 8.240 nan 0.000 0.413 24 L N 0.863 122.104 121.223 0.029 0.000 1.970 24 L HA -0.165 4.175 4.340 -0.001 0.000 0.212 24 L C 3.125 180.057 176.870 0.104 0.000 1.071 24 L CA 1.468 56.296 54.840 -0.019 0.000 0.751 24 L CB -0.840 41.125 42.059 -0.157 0.000 0.889 24 L HN 0.306 nan 8.230 nan 0.000 0.432 25 A N 0.148 123.074 122.820 0.177 0.000 1.881 25 A HA -0.397 3.922 4.320 -0.001 0.000 0.219 25 A C 1.956 179.584 177.584 0.074 0.000 1.215 25 A CA 2.683 54.822 52.037 0.169 0.000 0.648 25 A CB -1.055 18.105 19.000 0.265 0.000 0.832 25 A HN 0.556 nan 8.150 nan 0.000 0.455 26 D N -2.144 118.267 120.400 0.019 0.000 2.144 26 D HA -0.160 4.480 4.640 -0.001 0.000 0.200 26 D C 1.751 178.011 176.300 -0.068 0.000 0.978 26 D CA 1.642 55.619 54.000 -0.039 0.000 0.833 26 D CB -0.353 40.394 40.800 -0.088 0.000 0.961 26 D HN 0.749 nan 8.370 nan 0.000 0.470 27 H N -2.376 116.544 119.070 -0.250 0.000 2.395 27 H HA -0.050 4.505 4.556 -0.001 0.000 0.299 27 H C 0.483 175.347 175.328 -0.773 0.000 1.070 27 H CA 0.991 56.681 56.048 -0.596 0.000 1.356 27 H CB 0.306 29.570 29.762 -0.830 0.000 1.401 27 H HN 0.241 nan 8.280 nan 0.000 0.524 28 Y N -0.984 119.321 120.300 0.008 0.000 2.768 28 Y HA 0.346 4.895 4.550 -0.001 0.000 0.249 28 Y C 0.662 176.557 175.900 -0.008 0.000 1.146 28 Y CA 0.099 58.179 58.100 -0.033 0.000 1.171 28 Y CB 1.104 39.502 38.460 -0.103 0.000 1.249 28 Y HN 0.311 nan 8.280 nan 0.000 0.567 29 G N 0.714 109.579 108.800 0.108 0.000 2.707 29 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.686 29 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.686 29 G C 0.274 175.226 174.900 0.086 0.000 1.315 29 G CA -0.237 44.912 45.100 0.082 0.000 0.832 29 G HN 0.240 nan 8.290 nan 0.000 0.573 30 E N -0.243 120.001 120.200 0.073 0.000 2.086 30 E HA -0.034 4.315 4.350 -0.001 0.000 0.190 30 E C 2.521 179.138 176.600 0.028 0.000 0.975 30 E CA 0.662 57.108 56.400 0.078 0.000 0.813 30 E CB 0.158 29.910 29.700 0.087 0.000 0.768 30 E HN 0.504 nan 8.360 nan 0.000 0.457 31 R N 0.872 121.387 120.500 0.025 0.000 2.103 31 R HA -0.207 4.132 4.340 -0.001 0.000 0.234 31 R C 2.326 178.628 176.300 0.003 0.000 1.132 31 R CA 1.440 57.545 56.100 0.008 0.000 0.925 31 R CB -0.295 30.013 30.300 0.014 0.000 0.842 31 R HN 0.034 nan 8.270 nan 0.000 0.430 32 L N 0.721 121.961 121.223 0.028 0.000 2.013 32 L HA -0.200 4.140 4.340 -0.001 0.000 0.212 32 L C 2.623 179.476 176.870 -0.027 0.000 1.073 32 L CA 2.227 57.085 54.840 0.030 0.000 0.753 32 L CB -1.089 41.003 42.059 0.055 0.000 0.890 32 L HN 0.358 nan 8.230 nan 0.000 0.432 33 A N -0.495 122.302 122.820 -0.039 0.000 1.892 33 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 33 A C 2.459 179.907 177.584 -0.226 0.000 1.188 33 A CA 1.994 53.960 52.037 -0.118 0.000 0.631 33 A CB -0.537 18.441 19.000 -0.037 0.000 0.822 33 A HN 0.429 nan 8.150 nan 0.000 0.447 34 R N -0.886 119.488 120.500 -0.209 0.000 2.148 34 R HA -0.072 4.267 4.340 -0.001 0.000 0.223 34 R C 2.212 178.432 176.300 -0.133 0.000 1.088 34 R CA 1.193 57.147 56.100 -0.244 0.000 0.985 34 R CB -0.205 29.994 30.300 -0.168 0.000 0.880 34 R HN 0.797 nan 8.270 nan 0.000 0.451 35 E N 0.633 120.796 120.200 -0.062 0.000 2.028 35 E HA -0.188 4.161 4.350 -0.001 0.000 0.190 35 E C 1.977 178.588 176.600 0.019 0.000 0.984 35 E CA 0.744 57.147 56.400 0.005 0.000 0.800 35 E CB 0.221 29.962 29.700 0.068 0.000 0.758 35 E HN 0.102 nan 8.360 nan 0.000 0.448 36 Q N 0.633 120.436 119.800 0.004 0.000 2.062 36 Q HA -0.206 4.134 4.340 -0.001 0.000 0.209 36 Q C 2.394 178.409 176.000 0.024 0.000 0.996 36 Q CA 1.519 57.336 55.803 0.024 0.000 0.859 36 Q CB -0.492 28.227 28.738 -0.031 0.000 0.920 36 Q HN 0.413 nan 8.270 nan 0.000 0.415 37 L N -0.487 120.714 121.223 -0.036 0.000 2.131 37 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 37 L C 2.386 179.263 176.870 0.011 0.000 1.092 37 L CA 0.992 55.818 54.840 -0.023 0.000 0.759 37 L CB -0.685 41.293 42.059 -0.135 0.000 0.903 37 L HN 0.118 nan 8.230 nan 0.000 0.435 38 A N 0.096 122.908 122.820 -0.012 0.000 1.872 38 A HA -0.166 4.154 4.320 -0.001 0.000 0.214 38 A C 2.190 179.826 177.584 0.086 0.000 1.187 38 A CA 1.104 53.152 52.037 0.019 0.000 0.614 38 A CB -0.585 18.406 19.000 -0.015 0.000 0.826 38 A HN 0.244 nan 8.150 nan 0.000 0.442 39 L N 0.341 121.606 121.223 0.070 0.000 2.012 39 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 39 L C 2.308 179.214 176.870 0.059 0.000 1.073 39 L CA 2.322 57.212 54.840 0.083 0.000 0.748 39 L CB -0.815 41.316 42.059 0.119 0.000 0.891 39 L HN 0.528 nan 8.230 nan 0.000 0.431 40 E N -2.027 118.200 120.200 0.044 0.000 2.106 40 E HA -0.279 4.071 4.350 -0.001 0.000 0.192 40 E C 2.055 178.716 176.600 0.102 0.000 0.984 40 E CA 1.146 57.561 56.400 0.025 0.000 0.806 40 E CB -0.154 29.561 29.700 0.024 0.000 0.750 40 E HN 0.636 nan 8.360 nan 0.000 0.458 41 H N 1.087 120.149 119.070 -0.013 0.000 2.321 41 H HA -0.110 4.446 4.556 -0.001 0.000 0.300 41 H C 2.090 177.356 175.328 -0.103 0.000 1.087 41 H CA 2.004 58.006 56.048 -0.077 0.000 1.319 41 H CB 0.114 29.840 29.762 -0.060 0.000 1.379 41 H HN 0.117 nan 8.280 nan 0.000 0.501 42 E N -0.133 120.077 120.200 0.017 0.000 2.085 42 E HA -0.194 4.156 4.350 -0.001 0.000 0.194 42 E C 2.216 178.744 176.600 -0.120 0.000 0.994 42 E CA 1.419 57.799 56.400 -0.033 0.000 0.801 42 E CB -0.118 29.603 29.700 0.035 0.000 0.743 42 E HN 0.482 nan 8.360 nan 0.000 0.453 43 S N -0.308 115.340 115.700 -0.086 0.000 2.392 43 S HA -0.197 4.273 4.470 -0.001 0.000 0.232 43 S C 1.557 175.959 174.600 -0.329 0.000 1.041 43 S CA 1.433 59.539 58.200 -0.156 0.000 1.026 43 S CB -0.396 62.731 63.200 -0.123 0.000 0.845 43 S HN 0.407 nan 8.310 nan 0.000 0.465 44 Y N 1.454 121.429 120.300 -0.543 0.000 2.395 44 Y HA 0.057 4.607 4.550 -0.001 0.000 0.293 44 Y C 2.346 177.829 175.900 -0.696 0.000 1.123 44 Y CA 0.436 58.052 58.100 -0.807 0.000 1.227 44 Y CB -0.259 37.213 38.460 -1.647 0.000 1.012 44 Y HN 0.303 nan 8.280 nan 0.000 0.552 45 E N -0.221 119.710 120.200 -0.447 0.000 2.072 45 E HA -0.204 4.145 4.350 -0.001 0.000 0.191 45 E C 2.022 178.614 176.600 -0.014 0.000 0.985 45 E CA 1.482 57.813 56.400 -0.115 0.000 0.801 45 E CB -0.202 29.453 29.700 -0.075 0.000 0.750 45 E HN 0.484 nan 8.360 nan 0.000 0.452 46 M N -0.098 119.463 119.600 -0.064 0.000 2.175 46 M HA -0.059 4.420 4.480 -0.001 0.000 0.264 46 M C 2.429 178.715 176.300 -0.024 0.000 1.063 46 M CA 1.478 56.764 55.300 -0.024 0.000 1.119 46 M CB -0.308 32.276 32.600 -0.027 0.000 1.377 46 M HN 0.173 nan 8.290 nan 0.000 0.415 47 G N -0.209 108.539 108.800 -0.088 0.000 2.422 47 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.218 47 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.218 47 G C 1.469 176.405 174.900 0.061 0.000 1.140 47 G CA 0.519 45.575 45.100 -0.073 0.000 0.775 47 G HN 0.452 nan 8.290 nan 0.000 0.545 48 E N 0.358 120.631 120.200 0.123 0.000 2.047 48 E HA -0.052 4.298 4.350 -0.001 0.000 0.191 48 E C 2.920 179.629 176.600 0.181 0.000 0.987 48 E CA 0.826 57.340 56.400 0.190 0.000 0.799 48 E CB -0.133 29.745 29.700 0.296 0.000 0.752 48 E HN 0.337 nan 8.360 nan 0.000 0.449 49 A N 1.304 124.204 122.820 0.134 0.000 1.972 49 A HA -0.213 4.106 4.320 -0.001 0.000 0.219 49 A C 2.080 179.732 177.584 0.114 0.000 1.169 49 A CA 1.650 53.757 52.037 0.117 0.000 0.635 49 A CB -0.471 18.577 19.000 0.081 0.000 0.810 49 A HN 0.131 nan 8.150 nan 0.000 0.446 50 R N -1.126 119.433 120.500 0.099 0.000 2.082 50 R HA -0.172 4.168 4.340 -0.001 0.000 0.234 50 R C 1.901 178.268 176.300 0.110 0.000 1.136 50 R CA 2.166 58.311 56.100 0.075 0.000 0.935 50 R CB -0.707 29.618 30.300 0.041 0.000 0.842 50 R HN 0.476 nan 8.270 nan 0.000 0.430 51 F N 1.031 120.990 119.950 0.015 0.000 2.216 51 F HA -0.174 4.352 4.527 -0.001 0.000 0.300 51 F C 2.084 177.930 175.800 0.076 0.000 1.085 51 F CA 1.226 59.239 58.000 0.022 0.000 1.326 51 F CB 0.034 39.026 39.000 -0.012 0.000 1.027 51 F HN -0.013 nan 8.300 nan 0.000 0.497 52 R N 1.116 121.800 120.500 0.307 0.000 2.064 52 R HA -0.106 4.234 4.340 -0.001 0.000 0.228 52 R C 2.196 178.569 176.300 0.122 0.000 1.144 52 R CA 1.711 57.962 56.100 0.253 0.000 0.932 52 R CB -0.984 29.442 30.300 0.210 0.000 0.833 52 R HN 0.300 nan 8.270 nan 0.000 0.429 53 K N 0.231 120.676 120.400 0.075 0.000 2.089 53 K HA -0.172 4.148 4.320 -0.001 0.000 0.210 53 K C 2.124 178.720 176.600 -0.008 0.000 1.048 53 K CA 1.416 57.721 56.287 0.029 0.000 0.926 53 K CB -0.204 32.309 32.500 0.021 0.000 0.714 53 K HN 0.126 nan 8.250 nan 0.000 0.448 54 M N 0.187 119.765 119.600 -0.038 0.000 2.077 54 M HA -0.145 4.335 4.480 -0.001 0.000 0.261 54 M C 1.987 178.238 176.300 -0.081 0.000 1.070 54 M CA 1.564 56.810 55.300 -0.091 0.000 1.125 54 M CB -0.405 32.098 32.600 -0.162 0.000 1.339 54 M HN 0.067 nan 8.290 nan 0.000 0.409 55 F N 1.876 121.622 119.950 -0.339 0.000 2.269 55 F HA -0.195 4.331 4.527 -0.001 0.000 0.301 55 F C 2.382 178.111 175.800 -0.119 0.000 1.082 55 F CA 1.485 59.315 58.000 -0.284 0.000 1.360 55 F CB -0.552 38.281 39.000 -0.280 0.000 1.041 55 F HN 0.305 nan 8.300 nan 0.000 0.512 56 E N 1.226 121.387 120.200 -0.065 0.000 2.001 56 E HA -0.245 4.105 4.350 -0.001 0.000 0.195 56 E C 2.338 178.850 176.600 -0.147 0.000 1.002 56 E CA 1.738 58.071 56.400 -0.112 0.000 0.819 56 E CB -0.458 29.221 29.700 -0.036 0.000 0.769 56 E HN 0.407 nan 8.360 nan 0.000 0.454 57 R N 0.218 120.659 120.500 -0.100 0.000 2.119 57 R HA -0.185 4.155 4.340 -0.001 0.000 0.246 57 R C 2.677 178.904 176.300 -0.122 0.000 1.146 57 R CA 1.898 57.942 56.100 -0.093 0.000 0.962 57 R CB -0.415 29.844 30.300 -0.069 0.000 0.863 57 R HN 0.361 nan 8.270 nan 0.000 0.442 58 Q N 0.758 120.470 119.800 -0.145 0.000 2.045 58 Q HA -0.188 4.151 4.340 -0.001 0.000 0.206 58 Q C 2.360 178.239 176.000 -0.202 0.000 0.991 58 Q CA 1.618 57.330 55.803 -0.152 0.000 0.851 58 Q CB -0.317 28.345 28.738 -0.126 0.000 0.911 58 Q HN 0.459 nan 8.270 nan 0.000 0.418 59 L N 0.482 121.514 121.223 -0.317 0.000 2.072 59 L HA -0.106 4.233 4.340 -0.001 0.000 0.205 59 L C 2.532 179.305 176.870 -0.162 0.000 1.079 59 L CA 0.945 55.623 54.840 -0.269 0.000 0.752 59 L CB -0.602 41.252 42.059 -0.342 0.000 0.906 59 L HN 0.179 nan 8.230 nan 0.000 0.436 60 K N 0.834 121.147 120.400 -0.146 0.000 2.444 60 K HA -0.176 4.143 4.320 -0.001 0.000 0.200 60 K C 1.075 177.622 176.600 -0.089 0.000 1.045 60 K CA 1.270 57.496 56.287 -0.101 0.000 0.934 60 K CB 0.053 32.501 32.500 -0.087 0.000 0.756 60 K HN 0.362 nan 8.250 nan 0.000 0.477 61 A N -0.896 121.866 122.820 -0.097 0.000 2.592 61 A HA 0.350 4.670 4.320 -0.001 0.000 0.290 61 A C 0.787 178.319 177.584 -0.087 0.000 0.998 61 A CA 0.326 52.310 52.037 -0.089 0.000 0.983 61 A CB 0.417 19.363 19.000 -0.089 0.000 1.240 61 A HN 0.307 nan 8.150 nan 0.000 0.535 62 G N 0.178 108.928 108.800 -0.082 0.000 2.200 62 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.267 62 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.267 62 G C 0.395 175.265 174.900 -0.050 0.000 0.993 62 G CA 0.819 45.882 45.100 -0.062 0.000 0.701 62 G HN 0.634 nan 8.290 nan 0.000 0.524 63 E N -0.230 119.933 120.200 -0.061 0.000 2.416 63 E HA 0.206 4.555 4.350 -0.001 0.000 0.189 63 E C 2.173 178.772 176.600 -0.001 0.000 1.091 63 E CA 0.208 56.589 56.400 -0.032 0.000 0.889 63 E CB 0.094 29.768 29.700 -0.043 0.000 1.015 63 E HN 0.468 nan 8.360 nan 0.000 0.479 64 V N 0.755 120.658 119.914 -0.018 0.000 2.469 64 V HA -0.299 3.820 4.120 -0.001 0.000 0.251 64 V C 2.319 178.478 176.094 0.108 0.000 1.064 64 V CA 1.999 64.309 62.300 0.016 0.000 1.066 64 V CB -0.594 31.220 31.823 -0.014 0.000 0.667 64 V HN 0.361 nan 8.190 nan 0.000 0.461 65 A N -0.297 122.586 122.820 0.104 0.000 1.970 65 A HA -0.104 4.216 4.320 -0.001 0.000 0.216 65 A C 1.368 179.072 177.584 0.200 0.000 1.170 65 A CA 1.142 53.279 52.037 0.166 0.000 0.645 65 A CB -0.335 18.767 19.000 0.170 0.000 0.816 65 A HN 0.512 nan 8.150 nan 0.000 0.447 66 D N 1.095 121.586 120.400 0.152 0.000 3.038 66 D HA 0.132 4.772 4.640 -0.001 0.000 0.243 66 D C -0.334 176.032 176.300 0.110 0.000 1.245 66 D CA 0.232 54.316 54.000 0.141 0.000 0.871 66 D CB -0.388 40.466 40.800 0.091 0.000 1.089 66 D HN 0.362 nan 8.370 nan 0.000 0.464 67 N N -0.359 118.417 118.700 0.127 0.000 2.331 67 N HA 0.245 4.984 4.740 -0.001 0.000 0.280 67 N C 0.281 175.844 175.510 0.088 0.000 1.155 67 N CA -0.526 52.599 53.050 0.125 0.000 0.822 67 N CB 1.925 40.563 38.487 0.251 0.000 1.619 67 N HN -0.069 nan 8.380 nan 0.000 0.476 68 A N 1.890 124.744 122.820 0.057 0.000 2.178 68 A HA 0.061 4.380 4.320 -0.001 0.000 0.218 68 A C 1.812 179.409 177.584 0.022 0.000 1.157 68 A CA 1.831 53.881 52.037 0.022 0.000 0.689 68 A CB -0.438 18.587 19.000 0.041 0.000 0.787 68 A HN 0.713 nan 8.150 nan 0.000 0.465 69 A N -0.610 122.242 122.820 0.053 0.000 1.968 69 A HA 0.334 4.653 4.320 -0.001 0.000 0.217 69 A C 2.189 179.817 177.584 0.073 0.000 1.169 69 A CA 1.560 53.614 52.037 0.029 0.000 0.638 69 A CB -0.447 18.515 19.000 -0.063 0.000 0.812 69 A HN 0.993 nan 8.150 nan 0.000 0.446 70 A N -0.941 121.943 122.820 0.106 0.000 2.252 70 A HA 0.236 4.556 4.320 -0.001 0.000 0.213 70 A C 1.796 179.398 177.584 0.030 0.000 1.188 70 A CA 0.618 52.710 52.037 0.093 0.000 0.863 70 A CB -0.062 19.021 19.000 0.138 0.000 0.893 70 A HN 0.435 nan 8.150 nan 0.000 0.495 71 K N 0.517 120.890 120.400 -0.045 0.000 2.155 71 K HA -0.044 4.276 4.320 -0.001 0.000 0.203 71 K C -0.868 175.612 176.600 -0.199 0.000 1.052 71 K CA 1.291 57.446 56.287 -0.220 0.000 0.948 71 K CB -0.641 31.616 32.500 -0.406 0.000 0.728 71 K HN 0.404 nan 8.250 nan 0.000 0.448 72 P HA -0.183 nan 4.420 nan 0.000 0.215 72 P C 1.405 178.685 177.300 -0.033 0.000 1.157 72 P CA 1.372 64.428 63.100 -0.073 0.000 0.868 72 P CB -0.025 31.652 31.700 -0.038 0.000 0.788 73 L N -0.635 120.581 121.223 -0.011 0.000 1.976 73 L HA -0.151 4.189 4.340 -0.001 0.000 0.209 73 L C 2.905 179.769 176.870 -0.009 0.000 1.071 73 L CA 1.481 56.315 54.840 -0.010 0.000 0.746 73 L CB -1.128 40.909 42.059 -0.036 0.000 0.890 73 L HN -0.172 nan 8.230 nan 0.000 0.432 74 I N -0.237 120.349 120.570 0.028 0.000 2.315 74 I HA -0.304 3.866 4.170 -0.001 0.000 0.251 74 I C 2.393 178.604 176.117 0.157 0.000 1.125 74 I CA 1.569 62.945 61.300 0.128 0.000 1.392 74 I CB -0.758 37.419 38.000 0.295 0.000 1.065 74 I HN 0.339 nan 8.210 nan 0.000 0.424 75 T N -0.200 114.406 114.554 0.086 0.000 2.929 75 T HA -0.116 4.234 4.350 -0.001 0.000 0.271 75 T C 1.774 176.515 174.700 0.069 0.000 1.085 75 T CA 1.889 64.046 62.100 0.094 0.000 1.125 75 T CB -0.280 68.586 68.868 -0.004 0.000 0.874 75 T HN 0.600 nan 8.240 nan 0.000 0.494 76 T N -1.411 113.171 114.554 0.047 0.000 2.990 76 T HA 0.249 4.599 4.350 -0.001 0.000 0.250 76 T C 1.612 176.335 174.700 0.038 0.000 1.041 76 T CA -0.169 61.956 62.100 0.042 0.000 1.010 76 T CB -0.120 68.773 68.868 0.041 0.000 1.003 76 T HN 0.063 nan 8.240 nan 0.000 0.499 77 L N 0.375 121.612 121.223 0.023 0.000 2.249 77 L HA 0.432 4.771 4.340 -0.001 0.000 0.207 77 L C 2.148 179.040 176.870 0.037 0.000 1.090 77 L CA 0.647 55.487 54.840 -0.001 0.000 0.802 77 L CB -1.059 40.954 42.059 -0.077 0.000 0.947 77 L HN 0.227 nan 8.230 nan 0.000 0.453 78 L N 0.893 122.158 121.223 0.070 0.000 2.017 78 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 78 L C -0.445 176.456 176.870 0.052 0.000 1.073 78 L CA 2.046 56.933 54.840 0.078 0.000 0.745 78 L CB -1.463 40.652 42.059 0.092 0.000 0.894 78 L HN 0.173 nan 8.230 nan 0.000 0.432 79 P HA -0.217 nan 4.420 nan 0.000 0.215 79 P C 1.252 178.576 177.300 0.039 0.000 1.157 79 P CA 1.706 64.827 63.100 0.036 0.000 0.863 79 P CB -0.082 31.639 31.700 0.035 0.000 0.787 80 K N -0.636 119.790 120.400 0.043 0.000 2.034 80 K HA -0.200 4.119 4.320 -0.001 0.000 0.214 80 K C 2.384 179.013 176.600 0.048 0.000 1.051 80 K CA 1.907 58.222 56.287 0.046 0.000 0.931 80 K CB -0.726 31.803 32.500 0.048 0.000 0.715 80 K HN 0.078 nan 8.250 nan 0.000 0.446 81 M N 1.498 121.126 119.600 0.046 0.000 2.067 81 M HA -0.114 4.366 4.480 -0.001 0.000 0.260 81 M C 1.912 178.246 176.300 0.056 0.000 1.069 81 M CA 1.581 56.911 55.300 0.050 0.000 1.117 81 M CB -0.247 32.382 32.600 0.049 0.000 1.334 81 M HN 0.116 nan 8.290 nan 0.000 0.407 82 I N 0.218 120.816 120.570 0.047 0.000 2.194 82 I HA -0.350 3.819 4.170 -0.001 0.000 0.246 82 I C 2.445 178.586 176.117 0.040 0.000 1.093 82 I CA 1.413 62.733 61.300 0.034 0.000 1.355 82 I CB -0.990 37.021 38.000 0.017 0.000 1.046 82 I HN 0.490 nan 8.210 nan 0.000 0.413 83 A N 0.651 123.498 122.820 0.046 0.000 1.858 83 A HA -0.241 4.079 4.320 -0.001 0.000 0.216 83 A C 2.428 180.065 177.584 0.088 0.000 1.190 83 A CA 1.473 53.543 52.037 0.056 0.000 0.617 83 A CB -0.595 18.436 19.000 0.050 0.000 0.827 83 A HN 0.246 nan 8.150 nan 0.000 0.443 84 R N 0.461 121.018 120.500 0.094 0.000 2.115 84 R HA -0.195 4.145 4.340 -0.001 0.000 0.239 84 R C 1.918 178.345 176.300 0.211 0.000 1.133 84 R CA 2.405 58.580 56.100 0.125 0.000 0.935 84 R CB -1.110 29.241 30.300 0.086 0.000 0.853 84 R HN 0.647 nan 8.270 nan 0.000 0.433 85 I N 0.502 121.197 120.570 0.208 0.000 2.163 85 I HA -0.311 3.859 4.170 -0.001 0.000 0.243 85 I C 2.199 178.538 176.117 0.370 0.000 1.085 85 I CA 1.806 63.317 61.300 0.351 0.000 1.347 85 I CB -0.639 37.496 38.000 0.225 0.000 1.044 85 I HN 0.282 nan 8.210 nan 0.000 0.408 86 N N 0.889 119.677 118.700 0.146 0.000 2.036 86 N HA -0.215 4.525 4.740 -0.001 0.000 0.195 86 N C 1.495 177.111 175.510 0.178 0.000 1.037 86 N CA 1.686 54.789 53.050 0.090 0.000 0.855 86 N CB -0.168 38.338 38.487 0.031 0.000 1.033 86 N HN 0.419 nan 8.380 nan 0.000 0.423 87 D N 0.503 121.007 120.400 0.173 0.000 2.092 87 D HA -0.220 4.419 4.640 -0.001 0.000 0.193 87 D C 1.624 178.034 176.300 0.183 0.000 0.994 87 D CA 0.755 54.846 54.000 0.151 0.000 0.828 87 D CB -0.560 40.326 40.800 0.144 0.000 0.963 87 D HN 0.494 nan 8.370 nan 0.000 0.450 88 W N 0.994 122.355 121.300 0.101 0.000 2.325 88 W HA -0.268 4.391 4.660 -0.001 0.000 0.299 88 W C 1.814 178.330 176.519 -0.005 0.000 1.215 88 W CA 0.793 58.170 57.345 0.055 0.000 1.244 88 W CB -0.400 29.117 29.460 0.095 0.000 1.140 88 W HN -0.104 nan 8.180 nan 0.000 0.523 89 F N 1.367 121.224 119.950 -0.155 0.000 2.186 89 F HA -0.171 4.356 4.527 -0.001 0.000 0.299 89 F C 2.415 177.986 175.800 -0.381 0.000 1.090 89 F CA 2.139 59.963 58.000 -0.293 0.000 1.307 89 F CB -0.839 38.198 39.000 0.061 0.000 1.019 89 F HN -0.059 nan 8.300 nan 0.000 0.489 90 E N -0.345 119.827 120.200 -0.048 0.000 2.152 90 E HA -0.164 4.186 4.350 -0.001 0.000 0.192 90 E C 1.926 178.392 176.600 -0.224 0.000 0.983 90 E CA 1.057 57.401 56.400 -0.094 0.000 0.818 90 E CB -0.242 29.448 29.700 -0.018 0.000 0.758 90 E HN 0.510 nan 8.360 nan 0.000 0.467 91 E N 0.603 120.613 120.200 -0.317 0.000 2.110 91 E HA -0.158 4.192 4.350 -0.001 0.000 0.193 91 E C 2.125 178.397 176.600 -0.547 0.000 0.988 91 E CA 1.211 57.380 56.400 -0.384 0.000 0.804 91 E CB 0.056 29.507 29.700 -0.415 0.000 0.745 91 E HN 0.073 nan 8.360 nan 0.000 0.458 92 V N 1.241 120.647 119.914 -0.848 0.000 2.488 92 V HA -0.179 3.941 4.120 -0.001 0.000 0.246 92 V C 2.004 177.779 176.094 -0.532 0.000 1.046 92 V CA 1.470 63.254 62.300 -0.860 0.000 1.053 92 V CB -0.286 30.674 31.823 -1.438 0.000 0.679 92 V HN 0.137 nan 8.190 nan 0.000 0.458 93 K N 0.544 120.683 120.400 -0.434 0.000 2.283 93 K HA 0.023 4.343 4.320 -0.001 0.000 0.202 93 K C 1.715 178.227 176.600 -0.147 0.000 1.048 93 K CA 1.161 57.328 56.287 -0.199 0.000 0.948 93 K CB -0.189 32.259 32.500 -0.086 0.000 0.742 93 K HN 0.454 nan 8.250 nan 0.000 0.458 94 A N 1.340 124.057 122.820 -0.172 0.000 2.359 94 A HA 0.092 4.412 4.320 -0.001 0.000 0.240 94 A C -0.384 177.127 177.584 -0.122 0.000 1.306 94 A CA 0.156 52.121 52.037 -0.120 0.000 0.898 94 A CB -0.003 18.933 19.000 -0.106 0.000 0.956 94 A HN 0.035 nan 8.150 nan 0.000 0.497 95 K N -0.051 120.261 120.400 -0.146 0.000 2.553 95 K HA 0.480 4.799 4.320 -0.001 0.000 0.250 95 K C -0.749 175.786 176.600 -0.109 0.000 0.953 95 K CA -0.685 55.526 56.287 -0.126 0.000 0.800 95 K CB 1.807 34.213 32.500 -0.156 0.000 1.243 95 K HN 0.193 nan 8.250 nan 0.000 0.435 96 R N 0.581 121.035 120.500 -0.076 0.000 2.726 96 R HA 0.681 5.021 4.340 -0.001 0.000 0.272 96 R C 0.103 176.368 176.300 -0.059 0.000 1.097 96 R CA 0.524 56.589 56.100 -0.060 0.000 1.198 96 R CB 0.565 30.838 30.300 -0.044 0.000 1.114 96 R HN 0.836 nan 8.270 nan 0.000 0.550 97 G N 0.410 109.181 108.800 -0.047 0.000 2.697 97 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.686 97 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.686 97 G C -1.022 173.852 174.900 -0.044 0.000 1.179 97 G CA -0.671 44.404 45.100 -0.043 0.000 0.765 97 G HN 0.609 nan 8.290 nan 0.000 0.649 98 K N 1.654 122.032 120.400 -0.038 0.000 2.405 98 K HA 0.057 4.377 4.320 -0.001 0.000 0.273 98 K C 1.276 177.855 176.600 -0.035 0.000 1.116 98 K CA 0.292 56.556 56.287 -0.038 0.000 1.155 98 K CB 0.124 32.601 32.500 -0.039 0.000 0.858 98 K HN 0.552 nan 8.250 nan 0.000 0.477 99 R N 4.348 124.836 120.500 -0.020 0.000 2.861 99 R HA 0.046 4.385 4.340 -0.001 0.000 0.268 99 R C -1.884 174.426 176.300 0.016 0.000 1.027 99 R CA -1.056 55.048 56.100 0.006 0.000 1.163 99 R CB -0.256 30.147 30.300 0.172 0.000 1.060 99 R HN 0.572 nan 8.270 nan 0.000 0.483 100 P HA -0.043 nan 4.420 nan 0.000 0.270 100 P C 0.095 177.402 177.300 0.013 0.000 1.223 100 P CA 0.008 63.141 63.100 0.056 0.000 0.785 100 P CB 0.529 32.326 31.700 0.162 0.000 0.923 101 T N 1.359 115.863 114.554 -0.084 0.000 2.684 101 T HA -0.198 4.151 4.350 -0.001 0.000 0.267 101 T C 1.885 176.575 174.700 -0.017 0.000 1.036 101 T CA 2.218 64.225 62.100 -0.155 0.000 1.148 101 T CB -0.761 67.846 68.868 -0.435 0.000 0.863 101 T HN 0.533 nan 8.240 nan 0.000 0.436 102 A N 1.556 124.430 122.820 0.089 0.000 1.865 102 A HA -0.073 4.246 4.320 -0.001 0.000 0.217 102 A C 2.017 179.722 177.584 0.202 0.000 1.191 102 A CA 1.631 53.800 52.037 0.221 0.000 0.623 102 A CB -1.173 17.956 19.000 0.215 0.000 0.826 102 A HN 0.440 nan 8.150 nan 0.000 0.444 103 F N 1.319 121.264 119.950 -0.008 0.000 2.147 103 F HA -0.286 4.241 4.527 -0.001 0.000 0.301 103 F C 2.460 178.139 175.800 -0.202 0.000 1.084 103 F CA 2.102 60.005 58.000 -0.162 0.000 1.268 103 F CB -0.403 38.442 39.000 -0.259 0.000 1.009 103 F HN 0.331 nan 8.300 nan 0.000 0.486 104 Q N -0.105 119.424 119.800 -0.451 0.000 2.045 104 Q HA -0.246 4.094 4.340 -0.001 0.000 0.206 104 Q C 2.336 177.921 176.000 -0.693 0.000 0.991 104 Q CA 2.517 57.869 55.803 -0.752 0.000 0.851 104 Q CB -1.241 26.906 28.738 -0.985 0.000 0.911 104 Q HN 0.520 nan 8.270 nan 0.000 0.418 105 F N 0.479 120.324 119.950 -0.174 0.000 2.179 105 F HA 0.018 4.544 4.527 -0.001 0.000 0.292 105 F C 2.335 178.215 175.800 0.133 0.000 1.089 105 F CA 0.229 58.216 58.000 -0.022 0.000 1.295 105 F CB -0.632 38.247 39.000 -0.202 0.000 1.041 105 F HN -0.089 nan 8.300 nan 0.000 0.487 106 L N 0.385 121.816 121.223 0.348 0.000 2.556 106 L HA -0.235 4.105 4.340 -0.001 0.000 0.230 106 L C 2.178 179.379 176.870 0.551 0.000 1.163 106 L CA 1.017 56.123 54.840 0.445 0.000 0.819 106 L CB -0.625 41.747 42.059 0.522 0.000 0.939 106 L HN 0.371 nan 8.230 nan 0.000 0.452 107 Q N -0.576 119.392 119.800 0.279 0.000 2.424 107 Q HA -0.098 4.242 4.340 -0.001 0.000 0.204 107 Q C 1.608 177.729 176.000 0.201 0.000 0.933 107 Q CA 0.489 56.472 55.803 0.301 0.000 0.929 107 Q CB 0.471 29.078 28.738 -0.218 0.000 1.037 107 Q HN 0.496 nan 8.270 nan 0.000 0.511 108 E N -0.025 120.299 120.200 0.207 0.000 2.166 108 E HA 0.015 4.364 4.350 -0.001 0.000 0.192 108 E C 0.187 176.898 176.600 0.185 0.000 0.967 108 E CA 0.256 56.774 56.400 0.196 0.000 0.840 108 E CB 0.219 30.085 29.700 0.276 0.000 0.795 108 E HN 0.225 nan 8.360 nan 0.000 0.470 109 I N 2.540 123.239 120.570 0.215 0.000 2.471 109 I HA 0.034 4.204 4.170 -0.001 0.000 0.286 109 I C 0.768 176.939 176.117 0.089 0.000 1.079 109 I CA -0.345 61.045 61.300 0.151 0.000 1.398 109 I CB 0.321 38.421 38.000 0.166 0.000 1.403 109 I HN -0.201 nan 8.210 nan 0.000 0.530 110 K N 9.474 129.904 120.400 0.050 0.000 2.473 110 K HA -0.033 4.286 4.320 -0.001 0.000 0.277 110 K C -1.354 175.242 176.600 -0.007 0.000 1.052 110 K CA -0.724 55.568 56.287 0.008 0.000 1.114 110 K CB 0.665 33.168 32.500 0.004 0.000 0.869 110 K HN 0.390 nan 8.250 nan 0.000 0.481 111 P HA -0.236 nan 4.420 nan 0.000 0.216 111 P C 0.371 177.658 177.300 -0.022 0.000 1.154 111 P CA 1.511 64.563 63.100 -0.080 0.000 0.865 111 P CB 0.246 31.839 31.700 -0.178 0.000 0.789 112 E N 0.312 120.497 120.200 -0.025 0.000 2.049 112 E HA -0.172 4.177 4.350 -0.001 0.000 0.198 112 E C 2.380 178.990 176.600 0.017 0.000 1.007 112 E CA 1.969 58.359 56.400 -0.016 0.000 0.809 112 E CB -1.452 28.223 29.700 -0.042 0.000 0.749 112 E HN 0.268 nan 8.360 nan 0.000 0.450 113 A N 0.297 123.130 122.820 0.021 0.000 1.902 113 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 113 A C 2.531 180.152 177.584 0.061 0.000 1.181 113 A CA 1.607 53.679 52.037 0.058 0.000 0.623 113 A CB -0.789 18.232 19.000 0.035 0.000 0.818 113 A HN 0.145 nan 8.150 nan 0.000 0.443 114 V N -0.029 119.916 119.914 0.050 0.000 2.231 114 V HA -0.322 3.798 4.120 -0.001 0.000 0.248 114 V C 3.089 179.215 176.094 0.054 0.000 1.054 114 V CA 2.245 64.580 62.300 0.059 0.000 1.015 114 V CB -1.457 30.422 31.823 0.093 0.000 0.638 114 V HN 0.647 nan 8.190 nan 0.000 0.444 115 A N -0.873 121.987 122.820 0.067 0.000 1.859 115 A HA -0.327 3.992 4.320 -0.001 0.000 0.217 115 A C 2.196 179.840 177.584 0.100 0.000 1.198 115 A CA 2.569 54.651 52.037 0.074 0.000 0.629 115 A CB -0.983 18.058 19.000 0.069 0.000 0.830 115 A HN 0.642 nan 8.150 nan 0.000 0.446 116 Y N 0.666 120.943 120.300 -0.039 0.000 2.070 116 Y HA -0.231 4.319 4.550 -0.000 0.000 0.280 116 Y C 2.154 178.020 175.900 -0.057 0.000 1.148 116 Y CA 1.539 59.609 58.100 -0.051 0.000 1.125 116 Y CB -0.676 37.725 38.460 -0.099 0.000 0.975 116 Y HN 0.298 nan 8.280 nan 0.000 0.492 117 I N -0.581 119.887 120.570 -0.171 0.000 2.145 117 I HA -0.462 3.708 4.170 -0.001 0.000 0.244 117 I C 2.197 178.133 176.117 -0.301 0.000 1.075 117 I CA 2.054 63.120 61.300 -0.390 0.000 1.332 117 I CB -0.962 36.839 38.000 -0.332 0.000 1.033 117 I HN 0.281 nan 8.210 nan 0.000 0.410 118 T N 1.475 115.942 114.554 -0.144 0.000 2.622 118 T HA -0.158 4.192 4.350 -0.001 0.000 0.266 118 T C 1.977 176.631 174.700 -0.076 0.000 1.047 118 T CA 1.450 63.501 62.100 -0.081 0.000 1.159 118 T CB -0.212 68.644 68.868 -0.020 0.000 0.863 118 T HN 0.122 nan 8.240 nan 0.000 0.422 119 I N 1.441 121.977 120.570 -0.057 0.000 2.118 119 I HA -0.178 3.992 4.170 -0.001 0.000 0.241 119 I C 2.547 178.631 176.117 -0.055 0.000 1.070 119 I CA 1.562 62.846 61.300 -0.027 0.000 1.327 119 I CB -1.173 36.858 38.000 0.051 0.000 1.034 119 I HN 0.203 nan 8.210 nan 0.000 0.405 120 K N 1.089 121.387 120.400 -0.171 0.000 1.985 120 K HA -0.150 4.170 4.320 -0.001 0.000 0.210 120 K C 2.045 178.648 176.600 0.004 0.000 1.047 120 K CA 2.209 58.420 56.287 -0.126 0.000 0.932 120 K CB -0.594 31.701 32.500 -0.342 0.000 0.716 120 K HN 0.287 nan 8.250 nan 0.000 0.439 121 T N 0.888 115.450 114.554 0.014 0.000 2.803 121 T HA -0.109 4.241 4.350 -0.001 0.000 0.269 121 T C 1.849 176.576 174.700 0.045 0.000 1.052 121 T CA 1.849 64.013 62.100 0.105 0.000 1.136 121 T CB -0.356 68.537 68.868 0.043 0.000 0.864 121 T HN 0.361 nan 8.240 nan 0.000 0.467 122 T N 2.425 116.984 114.554 0.008 0.000 2.643 122 T HA 0.023 4.373 4.350 -0.001 0.000 0.264 122 T C 1.967 176.678 174.700 0.017 0.000 1.045 122 T CA 0.976 63.083 62.100 0.010 0.000 1.155 122 T CB -0.543 68.326 68.868 0.002 0.000 0.863 122 T HN 0.278 nan 8.240 nan 0.000 0.420 123 L N 0.863 122.096 121.223 0.017 0.000 2.129 123 L HA -0.191 4.149 4.340 -0.001 0.000 0.212 123 L C 2.946 179.825 176.870 0.015 0.000 1.087 123 L CA 1.254 56.107 54.840 0.022 0.000 0.757 123 L CB -0.739 41.339 42.059 0.031 0.000 0.896 123 L HN 0.261 nan 8.230 nan 0.000 0.434 124 A N -0.865 121.967 122.820 0.020 0.000 1.898 124 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 124 A C 2.391 179.974 177.584 -0.002 0.000 1.181 124 A CA 1.722 53.762 52.037 0.006 0.000 0.620 124 A CB -0.953 18.059 19.000 0.021 0.000 0.819 124 A HN 0.523 nan 8.150 nan 0.000 0.442 125 C N -0.740 118.566 119.300 0.010 0.000 2.476 125 C HA 0.035 4.495 4.460 -0.001 0.000 0.278 125 C C 2.558 177.551 174.990 0.006 0.000 1.274 125 C CA 0.715 59.736 59.018 0.007 0.000 1.713 125 C CB -1.379 26.369 27.740 0.013 0.000 2.039 125 C HN 0.605 nan 8.230 nan 0.000 0.484 126 L N 1.101 122.331 121.223 0.012 0.000 2.187 126 L HA -0.106 4.234 4.340 -0.001 0.000 0.213 126 L C 2.170 179.044 176.870 0.007 0.000 1.100 126 L CA 1.938 56.788 54.840 0.016 0.000 0.765 126 L CB -1.035 41.039 42.059 0.025 0.000 0.904 126 L HN 0.562 nan 8.230 nan 0.000 0.437 127 T N -3.287 111.263 114.554 -0.006 0.000 3.330 127 T HA 0.127 4.476 4.350 -0.001 0.000 0.249 127 T C 0.577 175.259 174.700 -0.030 0.000 0.980 127 T CA -0.290 61.796 62.100 -0.024 0.000 0.920 127 T CB -0.400 68.439 68.868 -0.048 0.000 1.065 127 T HN 0.240 nan 8.240 nan 0.000 0.588 128 S N -0.100 115.590 115.700 -0.017 0.000 2.525 128 S HA 0.745 5.215 4.470 -0.001 0.000 0.290 128 S C 1.691 176.282 174.600 -0.014 0.000 1.152 128 S CA -0.421 57.767 58.200 -0.019 0.000 1.072 128 S CB 1.577 64.769 63.200 -0.013 0.000 1.027 128 S HN 0.355 nan 8.310 nan 0.000 0.500 129 A N 2.588 125.397 122.820 -0.017 0.000 1.881 129 A HA -0.170 4.150 4.320 -0.001 0.000 0.219 129 A C 1.388 178.968 177.584 -0.006 0.000 1.215 129 A CA 2.526 54.556 52.037 -0.013 0.000 0.648 129 A CB -1.000 17.991 19.000 -0.014 0.000 0.832 129 A HN 0.900 nan 8.150 nan 0.000 0.455 130 D N -2.981 117.416 120.400 -0.005 0.000 3.081 130 D HA 0.062 4.702 4.640 -0.001 0.000 0.243 130 D C 0.506 176.806 176.300 0.001 0.000 1.388 130 D CA -0.074 53.925 54.000 -0.002 0.000 1.245 130 D CB -0.580 40.218 40.800 -0.004 0.000 1.319 130 D HN 0.348 nan 8.370 nan 0.000 0.377 131 N N 1.584 120.282 118.700 -0.003 0.000 2.414 131 N HA -0.047 4.692 4.740 -0.001 0.000 0.268 131 N C 0.029 175.542 175.510 0.004 0.000 1.286 131 N CA 1.083 54.133 53.050 -0.001 0.000 0.896 131 N CB 0.482 38.966 38.487 -0.005 0.000 1.093 131 N HN 0.210 nan 8.380 nan 0.000 0.480 132 T N -1.425 113.136 114.554 0.011 0.000 3.403 132 T HA 0.048 4.398 4.350 -0.001 0.000 0.308 132 T C 0.159 174.873 174.700 0.024 0.000 0.952 132 T CA -0.442 61.671 62.100 0.021 0.000 0.970 132 T CB -0.758 68.132 68.868 0.036 0.000 1.189 132 T HN 0.415 nan 8.240 nan 0.000 0.528 133 T N 0.361 114.922 114.554 0.012 0.000 2.934 133 T HA 0.214 4.563 4.350 -0.001 0.000 0.306 133 T C 1.412 176.116 174.700 0.008 0.000 1.042 133 T CA -0.069 62.035 62.100 0.007 0.000 1.145 133 T CB 1.444 70.309 68.868 -0.004 0.000 0.982 133 T HN 0.145 nan 8.240 nan 0.000 0.544 134 V N 2.027 121.947 119.914 0.010 0.000 3.186 134 V HA -0.127 3.992 4.120 -0.001 0.000 0.270 134 V C 2.288 178.377 176.094 -0.008 0.000 1.149 134 V CA 2.066 64.369 62.300 0.006 0.000 1.160 134 V CB -0.857 30.971 31.823 0.008 0.000 0.758 134 V HN 1.023 nan 8.190 nan 0.000 0.516 135 Q N 0.096 119.888 119.800 -0.013 0.000 2.061 135 Q HA 0.075 4.414 4.340 -0.001 0.000 0.195 135 Q C 2.218 178.206 176.000 -0.019 0.000 0.967 135 Q CA 1.822 57.611 55.803 -0.024 0.000 0.829 135 Q CB -0.400 28.323 28.738 -0.026 0.000 0.900 135 Q HN 0.589 nan 8.270 nan 0.000 0.450 136 A N -0.018 122.795 122.820 -0.012 0.000 1.898 136 A HA -0.100 4.220 4.320 -0.001 0.000 0.216 136 A C 2.258 179.841 177.584 -0.001 0.000 1.181 136 A CA 1.539 53.572 52.037 -0.007 0.000 0.620 136 A CB -0.932 18.065 19.000 -0.005 0.000 0.819 136 A HN 0.295 nan 8.150 nan 0.000 0.442 137 V N 0.076 119.991 119.914 0.002 0.000 2.287 137 V HA -0.302 3.818 4.120 -0.001 0.000 0.248 137 V C 3.082 179.179 176.094 0.006 0.000 1.053 137 V CA 2.089 64.393 62.300 0.007 0.000 1.027 137 V CB -1.370 30.459 31.823 0.009 0.000 0.646 137 V HN 0.622 nan 8.190 nan 0.000 0.447 138 A N 0.685 123.505 122.820 -0.000 0.000 1.917 138 A HA -0.269 4.051 4.320 -0.001 0.000 0.219 138 A C 2.579 180.166 177.584 0.005 0.000 1.182 138 A CA 2.690 54.726 52.037 -0.001 0.000 0.633 138 A CB -0.849 18.141 19.000 -0.016 0.000 0.819 138 A HN 0.723 nan 8.150 nan 0.000 0.448 139 S N 0.204 115.904 115.700 0.000 0.000 2.355 139 S HA 0.012 4.481 4.470 -0.001 0.000 0.222 139 S C 2.161 176.776 174.600 0.026 0.000 1.031 139 S CA 1.550 59.756 58.200 0.009 0.000 0.993 139 S CB -0.883 62.317 63.200 -0.000 0.000 0.859 139 S HN 1.013 nan 8.310 nan 0.000 0.453 140 A N 2.569 125.402 122.820 0.022 0.000 1.849 140 A HA -0.034 4.285 4.320 -0.001 0.000 0.217 140 A C 2.302 179.904 177.584 0.031 0.000 1.202 140 A CA 1.817 53.875 52.037 0.035 0.000 0.629 140 A CB -1.238 17.783 19.000 0.035 0.000 0.834 140 A HN 0.597 nan 8.150 nan 0.000 0.447 141 I N -0.435 120.142 120.570 0.011 0.000 2.113 141 I HA -0.322 3.847 4.170 -0.001 0.000 0.242 141 I C 2.714 178.836 176.117 0.008 0.000 1.064 141 I CA 1.514 62.803 61.300 -0.017 0.000 1.320 141 I CB -0.874 37.122 38.000 -0.005 0.000 1.028 141 I HN 0.468 nan 8.210 nan 0.000 0.406 142 G N 0.176 109.005 108.800 0.048 0.000 2.421 142 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.216 142 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.216 142 G C 1.726 176.708 174.900 0.137 0.000 1.171 142 G CA 0.696 45.858 45.100 0.104 0.000 0.775 142 G HN 0.187 nan 8.290 nan 0.000 0.543 143 R N 0.729 121.287 120.500 0.097 0.000 2.105 143 R HA 0.034 4.374 4.340 -0.001 0.000 0.239 143 R C 2.841 179.183 176.300 0.070 0.000 1.135 143 R CA 1.602 57.758 56.100 0.094 0.000 0.967 143 R CB -0.636 29.709 30.300 0.075 0.000 0.861 143 R HN 0.326 nan 8.270 nan 0.000 0.442 144 A N 0.084 122.924 122.820 0.034 0.000 1.929 144 A HA -0.039 4.280 4.320 -0.001 0.000 0.216 144 A C 1.900 179.421 177.584 -0.105 0.000 1.176 144 A CA 1.000 53.003 52.037 -0.057 0.000 0.628 144 A CB -0.305 18.483 19.000 -0.353 0.000 0.816 144 A HN 0.184 nan 8.150 nan 0.000 0.444 145 I N -0.024 120.526 120.570 -0.034 0.000 2.394 145 I HA -0.175 3.995 4.170 -0.001 0.000 0.251 145 I C 2.317 178.441 176.117 0.012 0.000 1.136 145 I CA 1.531 62.849 61.300 0.029 0.000 1.425 145 I CB -1.211 36.883 38.000 0.157 0.000 1.079 145 I HN 0.555 nan 8.210 nan 0.000 0.425 146 E N 1.217 121.389 120.200 -0.046 0.000 2.047 146 E HA -0.209 4.141 4.350 -0.001 0.000 0.191 146 E C 1.684 177.937 176.600 -0.578 0.000 0.987 146 E CA 1.168 57.275 56.400 -0.488 0.000 0.799 146 E CB 0.177 29.548 29.700 -0.549 0.000 0.752 146 E HN 0.390 nan 8.360 nan 0.000 0.449 147 D N 0.504 120.760 120.400 -0.240 0.000 2.116 147 D HA -0.231 4.408 4.640 -0.001 0.000 0.193 147 D C 1.939 178.224 176.300 -0.025 0.000 0.998 147 D CA 1.547 55.535 54.000 -0.020 0.000 0.836 147 D CB -0.215 40.715 40.800 0.216 0.000 0.951 147 D HN 0.237 nan 8.370 nan 0.000 0.449 148 E N 1.402 121.563 120.200 -0.066 0.000 2.072 148 E HA -0.105 4.245 4.350 -0.001 0.000 0.191 148 E C 1.896 178.430 176.600 -0.109 0.000 0.985 148 E CA 1.634 58.010 56.400 -0.041 0.000 0.801 148 E CB -0.353 29.326 29.700 -0.035 0.000 0.750 148 E HN 0.158 nan 8.360 nan 0.000 0.452 149 A N 0.874 123.574 122.820 -0.200 0.000 1.930 149 A HA -0.115 4.205 4.320 -0.001 0.000 0.217 149 A C 2.330 179.674 177.584 -0.400 0.000 1.175 149 A CA 1.555 53.501 52.037 -0.150 0.000 0.627 149 A CB -0.579 18.454 19.000 0.055 0.000 0.815 149 A HN 0.272 nan 8.150 nan 0.000 0.443 150 R N -1.293 118.536 120.500 -1.119 0.000 2.064 150 R HA -0.090 4.250 4.340 -0.001 0.000 0.228 150 R C 1.664 177.504 176.300 -0.765 0.000 1.144 150 R CA 2.003 57.176 56.100 -1.544 0.000 0.932 150 R CB -0.423 28.393 30.300 -2.473 0.000 0.833 150 R HN 0.449 nan 8.270 nan 0.000 0.429 151 F N -0.059 119.682 119.950 -0.349 0.000 2.558 151 F HA 0.198 4.724 4.527 -0.001 0.000 0.298 151 F C 2.219 177.967 175.800 -0.087 0.000 1.119 151 F CA 0.770 58.673 58.000 -0.160 0.000 1.451 151 F CB -0.464 38.457 39.000 -0.131 0.000 1.091 151 F HN 0.255 nan 8.300 nan 0.000 0.563 152 G N 0.224 109.048 108.800 0.040 0.000 2.422 152 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.218 152 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.218 152 G C 1.773 176.698 174.900 0.042 0.000 1.140 152 G CA 0.567 45.692 45.100 0.042 0.000 0.775 152 G HN 0.297 nan 8.290 nan 0.000 0.545 153 R N 0.344 120.861 120.500 0.029 0.000 2.117 153 R HA -0.091 4.248 4.340 -0.001 0.000 0.243 153 R C 2.334 178.669 176.300 0.057 0.000 1.143 153 R CA 1.492 57.625 56.100 0.055 0.000 0.968 153 R CB -0.376 29.973 30.300 0.082 0.000 0.863 153 R HN 0.460 nan 8.270 nan 0.000 0.444 154 I N 0.408 121.021 120.570 0.070 0.000 2.163 154 I HA -0.240 3.930 4.170 -0.001 0.000 0.240 154 I C 2.677 178.842 176.117 0.079 0.000 1.081 154 I CA 1.091 62.446 61.300 0.093 0.000 1.353 154 I CB -0.528 37.557 38.000 0.141 0.000 1.054 154 I HN 0.174 nan 8.210 nan 0.000 0.407 155 R N 1.131 121.674 120.500 0.072 0.000 2.328 155 R HA -0.134 4.205 4.340 -0.001 0.000 0.207 155 R C 0.811 177.125 176.300 0.023 0.000 1.056 155 R CA 1.204 57.333 56.100 0.047 0.000 1.016 155 R CB -0.318 30.006 30.300 0.042 0.000 0.872 155 R HN 0.482 nan 8.270 nan 0.000 0.471 156 D N -0.388 120.027 120.400 0.024 0.000 3.032 156 D HA -0.070 4.569 4.640 -0.001 0.000 0.280 156 D C 1.648 177.944 176.300 -0.006 0.000 1.381 156 D CA 0.261 54.267 54.000 0.009 0.000 1.068 156 D CB -0.341 40.472 40.800 0.022 0.000 1.148 156 D HN 0.137 nan 8.370 nan 0.000 0.401 157 L N 1.302 122.531 121.223 0.009 0.000 2.327 157 L HA 0.141 4.480 4.340 -0.001 0.000 0.192 157 L C 1.960 178.832 176.870 0.002 0.000 1.158 157 L CA 1.306 56.146 54.840 -0.000 0.000 0.813 157 L CB -0.988 41.079 42.059 0.013 0.000 1.021 157 L HN -0.101 nan 8.230 nan 0.000 0.481 158 E N 0.586 120.799 120.200 0.023 0.000 2.119 158 E HA -0.303 4.047 4.350 -0.001 0.000 0.221 158 E C 1.342 177.971 176.600 0.048 0.000 1.062 158 E CA 1.874 58.290 56.400 0.027 0.000 0.894 158 E CB -0.548 29.177 29.700 0.042 0.000 0.785 158 E HN 0.592 nan 8.360 nan 0.000 0.472 159 A N 0.823 123.698 122.820 0.092 0.000 2.797 159 A HA 0.085 4.405 4.320 -0.001 0.000 0.287 159 A C 1.414 179.039 177.584 0.069 0.000 1.369 159 A CA -0.034 52.106 52.037 0.171 0.000 0.968 159 A CB -0.180 18.959 19.000 0.233 0.000 1.069 159 A HN 0.132 nan 8.150 nan 0.000 0.571 160 K N -0.277 120.095 120.400 -0.048 0.000 2.127 160 K HA -0.262 4.057 4.320 -0.001 0.000 0.212 160 K C 1.279 177.645 176.600 -0.389 0.000 1.050 160 K CA 2.398 58.527 56.287 -0.263 0.000 0.929 160 K CB -0.139 32.117 32.500 -0.406 0.000 0.715 160 K HN 0.789 nan 8.250 nan 0.000 0.457 161 H N -3.286 115.850 119.070 0.110 0.000 2.735 161 H HA 0.024 4.580 4.556 -0.001 0.000 0.250 161 H C 1.591 177.001 175.328 0.137 0.000 0.948 161 H CA 0.157 56.265 56.048 0.100 0.000 1.137 161 H CB -0.290 29.528 29.762 0.094 0.000 1.440 161 H HN 0.093 nan 8.280 nan 0.000 0.444 162 F N 3.218 123.244 119.950 0.127 0.000 2.236 162 F HA -0.170 4.356 4.527 -0.001 0.000 0.302 162 F C 2.401 178.244 175.800 0.072 0.000 1.073 162 F CA 1.316 59.369 58.000 0.089 0.000 1.336 162 F CB 0.101 39.144 39.000 0.071 0.000 1.040 162 F HN -0.034 nan 8.300 nan 0.000 0.507 163 K N 0.593 121.076 120.400 0.139 0.000 2.286 163 K HA -0.218 4.101 4.320 -0.001 0.000 0.203 163 K C 1.915 178.507 176.600 -0.014 0.000 1.045 163 K CA 1.237 57.561 56.287 0.062 0.000 0.935 163 K CB -0.047 32.485 32.500 0.053 0.000 0.737 163 K HN 0.002 nan 8.250 nan 0.000 0.460 164 K N 0.522 120.902 120.400 -0.033 0.000 2.032 164 K HA -0.121 4.199 4.320 -0.001 0.000 0.209 164 K C 1.504 178.038 176.600 -0.110 0.000 1.048 164 K CA 1.805 58.057 56.287 -0.057 0.000 0.927 164 K CB -0.678 31.800 32.500 -0.037 0.000 0.712 164 K HN 0.290 nan 8.250 nan 0.000 0.441 165 N N 0.403 118.972 118.700 -0.219 0.000 2.571 165 N HA -0.060 4.680 4.740 -0.001 0.000 0.189 165 N C 1.366 176.803 175.510 -0.122 0.000 1.154 165 N CA 0.257 53.163 53.050 -0.239 0.000 0.907 165 N CB 0.150 38.344 38.487 -0.488 0.000 0.977 165 N HN -0.049 nan 8.380 nan 0.000 0.449 166 V N 0.061 119.933 119.914 -0.071 0.000 2.602 166 V HA -0.004 4.115 4.120 -0.001 0.000 0.235 166 V C 1.827 177.887 176.094 -0.058 0.000 1.087 166 V CA 0.551 62.878 62.300 0.045 0.000 1.117 166 V CB -0.448 31.439 31.823 0.106 0.000 0.820 166 V HN 0.120 nan 8.190 nan 0.000 0.490 167 E N 0.937 121.105 120.200 -0.053 0.000 2.082 167 E HA -0.370 3.980 4.350 -0.001 0.000 0.215 167 E C 2.038 178.567 176.600 -0.119 0.000 1.048 167 E CA 2.398 58.753 56.400 -0.075 0.000 0.869 167 E CB -0.344 29.324 29.700 -0.053 0.000 0.773 167 E HN 0.696 nan 8.360 nan 0.000 0.466 168 E N 0.715 120.851 120.200 -0.107 0.000 2.086 168 E HA -0.292 4.058 4.350 -0.001 0.000 0.205 168 E C 2.205 178.703 176.600 -0.170 0.000 1.027 168 E CA 1.829 58.161 56.400 -0.113 0.000 0.830 168 E CB -0.266 29.381 29.700 -0.089 0.000 0.751 168 E HN 0.374 nan 8.360 nan 0.000 0.456 169 Q N 0.179 119.830 119.800 -0.248 0.000 2.230 169 Q HA -0.027 4.313 4.340 -0.001 0.000 0.202 169 Q C 2.346 177.974 176.000 -0.621 0.000 0.963 169 Q CA 0.524 56.066 55.803 -0.436 0.000 0.866 169 Q CB -0.009 28.387 28.738 -0.569 0.000 0.931 169 Q HN 0.331 nan 8.270 nan 0.000 0.452 170 L N 0.544 121.465 121.223 -0.503 0.000 2.023 170 L HA -0.151 4.188 4.340 -0.001 0.000 0.205 170 L C 1.901 178.631 176.870 -0.234 0.000 1.073 170 L CA 1.398 56.006 54.840 -0.387 0.000 0.745 170 L CB -0.217 41.715 42.059 -0.213 0.000 0.900 170 L HN 0.208 nan 8.230 nan 0.000 0.435 171 N N -0.485 118.111 118.700 -0.173 0.000 2.104 171 N HA -0.207 4.532 4.740 -0.001 0.000 0.190 171 N C 1.652 177.095 175.510 -0.111 0.000 1.024 171 N CA 0.929 53.909 53.050 -0.117 0.000 0.853 171 N CB 0.045 38.477 38.487 -0.091 0.000 1.008 171 N HN 0.239 nan 8.380 nan 0.000 0.424 172 K N 1.093 121.412 120.400 -0.134 0.000 2.152 172 K HA -0.049 4.271 4.320 -0.001 0.000 0.206 172 K C 0.415 176.965 176.600 -0.083 0.000 1.048 172 K CA 0.742 56.968 56.287 -0.103 0.000 0.933 172 K CB -0.030 32.399 32.500 -0.118 0.000 0.721 172 K HN 0.163 nan 8.250 nan 0.000 0.447 173 R N 1.123 121.547 120.500 -0.126 0.000 2.389 173 R HA 0.166 4.506 4.340 -0.001 0.000 0.295 173 R C -0.219 176.059 176.300 -0.037 0.000 1.075 173 R CA -0.148 55.914 56.100 -0.063 0.000 1.005 173 R CB 0.781 31.014 30.300 -0.111 0.000 0.987 173 R HN -0.209 nan 8.270 nan 0.000 0.452 174 V N 0.667 120.586 119.914 0.008 0.000 2.680 174 V HA 0.723 4.842 4.120 -0.001 0.000 0.309 174 V C 0.366 176.407 176.094 -0.088 0.000 1.052 174 V CA -0.699 61.578 62.300 -0.037 0.000 0.908 174 V CB 1.845 33.652 31.823 -0.026 0.000 1.001 174 V HN 0.959 nan 8.190 nan 0.000 0.431 175 G N 1.667 110.394 108.800 -0.122 0.000 3.322 175 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.686 175 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.686 175 G C 0.212 175.042 174.900 -0.116 0.000 1.015 175 G CA 0.111 45.107 45.100 -0.173 0.000 0.826 175 G HN 1.148 nan 8.290 nan 0.000 0.538 176 H N 1.555 120.500 119.070 -0.208 0.000 2.394 176 H HA -0.150 4.405 4.556 -0.001 0.000 0.297 176 H C 2.661 177.916 175.328 -0.121 0.000 1.113 176 H CA 2.786 58.718 56.048 -0.195 0.000 1.277 176 H CB -0.027 29.561 29.762 -0.289 0.000 1.370 176 H HN 0.462 nan 8.280 nan 0.000 0.506 177 V N 0.610 120.578 119.914 0.089 0.000 2.214 177 V HA -0.324 3.795 4.120 -0.001 0.000 0.247 177 V C 2.425 178.661 176.094 0.236 0.000 1.051 177 V CA 2.275 64.638 62.300 0.105 0.000 1.003 177 V CB -1.119 30.689 31.823 -0.026 0.000 0.635 177 V HN 0.528 nan 8.190 nan 0.000 0.447 178 Y N -0.240 120.064 120.300 0.007 0.000 2.274 178 Y HA -0.187 4.363 4.550 -0.001 0.000 0.290 178 Y C 2.634 178.527 175.900 -0.011 0.000 1.145 178 Y CA 0.876 58.977 58.100 0.002 0.000 1.203 178 Y CB -0.183 38.275 38.460 -0.004 0.000 0.984 178 Y HN 0.252 nan 8.280 nan 0.000 0.533 179 K N 0.596 121.054 120.400 0.096 0.000 2.283 179 K HA -0.173 4.146 4.320 -0.001 0.000 0.202 179 K C 1.965 178.507 176.600 -0.097 0.000 1.048 179 K CA 0.850 57.117 56.287 -0.033 0.000 0.948 179 K CB -0.039 32.372 32.500 -0.147 0.000 0.742 179 K HN 0.248 nan 8.250 nan 0.000 0.458 180 K N 0.638 120.996 120.400 -0.071 0.000 2.098 180 K HA -0.012 4.307 4.320 -0.001 0.000 0.203 180 K C 2.071 178.602 176.600 -0.114 0.000 1.051 180 K CA 0.807 56.986 56.287 -0.179 0.000 0.957 180 K CB 0.029 32.527 32.500 -0.003 0.000 0.738 180 K HN 0.035 nan 8.250 nan 0.000 0.447 181 A N 0.864 123.697 122.820 0.022 0.000 1.883 181 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 181 A C 1.995 179.587 177.584 0.013 0.000 1.186 181 A CA 1.442 53.495 52.037 0.026 0.000 0.624 181 A CB -0.855 18.168 19.000 0.037 0.000 0.822 181 A HN 0.492 nan 8.150 nan 0.000 0.444 182 F N -0.721 119.179 119.950 -0.083 0.000 2.146 182 F HA -0.121 4.405 4.527 -0.001 0.000 0.298 182 F C 2.270 178.017 175.800 -0.088 0.000 1.096 182 F CA 1.716 59.671 58.000 -0.074 0.000 1.275 182 F CB -0.062 38.898 39.000 -0.067 0.000 1.008 182 F HN 0.095 nan 8.300 nan 0.000 0.480 183 M N 0.103 119.704 119.600 0.001 0.000 2.374 183 M HA -0.182 4.297 4.480 -0.001 0.000 0.264 183 M C 1.984 178.271 176.300 -0.021 0.000 1.067 183 M CA 1.478 56.691 55.300 -0.145 0.000 1.103 183 M CB -0.977 31.183 32.600 -0.733 0.000 1.402 183 M HN 0.335 nan 8.290 nan 0.000 0.444 184 Q N -0.743 119.037 119.800 -0.033 0.000 2.020 184 Q HA -0.114 4.226 4.340 -0.001 0.000 0.198 184 Q C 2.056 178.071 176.000 0.025 0.000 0.974 184 Q CA 1.855 57.733 55.803 0.125 0.000 0.829 184 Q CB -0.220 28.567 28.738 0.083 0.000 0.894 184 Q HN 0.533 nan 8.270 nan 0.000 0.433 185 V N -1.881 117.975 119.914 -0.097 0.000 2.332 185 V HA -0.198 3.921 4.120 -0.001 0.000 0.248 185 V C 2.140 178.129 176.094 -0.175 0.000 1.055 185 V CA 1.618 63.823 62.300 -0.157 0.000 1.038 185 V CB -1.000 30.666 31.823 -0.262 0.000 0.651 185 V HN 0.111 nan 8.190 nan 0.000 0.450 186 V N 0.518 120.278 119.914 -0.256 0.000 2.255 186 V HA -0.304 3.815 4.120 -0.001 0.000 0.247 186 V C 2.787 178.886 176.094 0.008 0.000 1.051 186 V CA 2.686 64.900 62.300 -0.143 0.000 1.018 186 V CB -0.876 30.905 31.823 -0.070 0.000 0.641 186 V HN 0.670 nan 8.190 nan 0.000 0.445 187 E N -0.240 120.001 120.200 0.068 0.000 2.110 187 E HA -0.213 4.136 4.350 -0.001 0.000 0.193 187 E C 2.224 178.851 176.600 0.044 0.000 0.988 187 E CA 1.203 57.657 56.400 0.088 0.000 0.804 187 E CB -0.251 29.534 29.700 0.142 0.000 0.745 187 E HN 0.596 nan 8.360 nan 0.000 0.458 188 A N 0.767 123.603 122.820 0.026 0.000 2.019 188 A HA -0.203 4.116 4.320 -0.001 0.000 0.219 188 A C 1.837 179.420 177.584 -0.001 0.000 1.164 188 A CA 1.762 53.805 52.037 0.010 0.000 0.644 188 A CB -0.243 18.756 19.000 -0.001 0.000 0.805 188 A HN 0.263 nan 8.150 nan 0.000 0.449 189 D N -0.793 119.603 120.400 -0.006 0.000 2.214 189 D HA -0.060 4.580 4.640 -0.001 0.000 0.217 189 D C 2.109 178.405 176.300 -0.007 0.000 0.973 189 D CA 1.103 55.101 54.000 -0.003 0.000 0.880 189 D CB -0.253 40.552 40.800 0.008 0.000 1.031 189 D HN 0.250 nan 8.370 nan 0.000 0.468 190 M N 0.316 119.918 119.600 0.004 0.000 2.108 190 M HA -0.180 4.299 4.480 -0.001 0.000 0.257 190 M C 2.381 178.653 176.300 -0.047 0.000 1.071 190 M CA 1.103 56.379 55.300 -0.041 0.000 1.093 190 M CB -0.759 31.845 32.600 0.007 0.000 1.345 190 M HN 0.171 nan 8.290 nan 0.000 0.403 191 L N -1.067 120.147 121.223 -0.015 0.000 2.156 191 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 191 L C 2.612 179.470 176.870 -0.021 0.000 1.095 191 L CA 0.909 55.741 54.840 -0.013 0.000 0.770 191 L CB -0.604 41.458 42.059 0.004 0.000 0.914 191 L HN 0.314 nan 8.230 nan 0.000 0.439 192 S N -0.873 114.815 115.700 -0.019 0.000 2.515 192 S HA -0.082 4.388 4.470 -0.001 0.000 0.231 192 S C 1.477 176.059 174.600 -0.030 0.000 0.987 192 S CA 1.176 59.365 58.200 -0.019 0.000 0.936 192 S CB 0.142 63.335 63.200 -0.012 0.000 0.766 192 S HN 0.416 nan 8.310 nan 0.000 0.528 193 K N -1.050 119.319 120.400 -0.051 0.000 2.797 193 K HA 0.320 4.639 4.320 -0.001 0.000 0.234 193 K C 1.542 178.082 176.600 -0.099 0.000 1.805 193 K CA 0.208 56.453 56.287 -0.071 0.000 1.052 193 K CB -0.816 31.634 32.500 -0.083 0.000 2.129 193 K HN 0.142 nan 8.250 nan 0.000 0.412 194 G N 2.322 111.025 108.800 -0.161 0.000 2.311 194 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.274 194 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.274 194 G C -0.137 174.702 174.900 -0.100 0.000 1.511 194 G CA -0.257 44.734 45.100 -0.181 0.000 1.041 194 G HN 0.207 nan 8.290 nan 0.000 0.527 195 L N 0.296 121.468 121.223 -0.085 0.000 2.601 195 L HA 0.168 4.507 4.340 -0.001 0.000 0.277 195 L C -0.031 176.822 176.870 -0.028 0.000 1.219 195 L CA 0.002 54.817 54.840 -0.042 0.000 0.915 195 L CB 0.073 42.118 42.059 -0.023 0.000 1.160 195 L HN 0.202 nan 8.230 nan 0.000 0.494 196 L N 5.388 126.598 121.223 -0.022 0.000 2.343 196 L HA 0.863 5.202 4.340 -0.001 0.000 0.275 196 L C 0.613 177.477 176.870 -0.009 0.000 1.056 196 L CA -0.153 54.677 54.840 -0.016 0.000 0.804 196 L CB 1.413 43.461 42.059 -0.018 0.000 1.203 196 L HN 0.808 nan 8.230 nan 0.000 0.440 197 G N 0.455 109.250 108.800 -0.007 0.000 2.356 197 G HA2 0.436 4.395 3.960 -0.001 0.000 0.281 197 G HA3 0.436 4.395 3.960 -0.001 0.000 0.281 197 G C -0.485 174.408 174.900 -0.011 0.000 1.246 197 G CA 0.013 45.107 45.100 -0.010 0.000 0.889 197 G HN 0.784 nan 8.290 nan 0.000 0.486 198 G N -1.265 107.521 108.800 -0.023 0.000 3.223 198 G HA2 0.523 4.483 3.960 -0.001 0.000 0.198 198 G HA3 0.523 4.483 3.960 -0.001 0.000 0.198 198 G C -0.018 174.875 174.900 -0.012 0.000 1.980 198 G CA 1.093 46.175 45.100 -0.029 0.000 0.828 198 G HN 1.194 nan 8.290 nan 0.000 0.680 199 E N -1.466 118.695 120.200 -0.064 0.000 2.353 199 E HA 0.255 4.605 4.350 -0.001 0.000 0.252 199 E C 0.118 176.541 176.600 -0.296 0.000 1.080 199 E CA 0.256 56.642 56.400 -0.024 0.000 0.716 199 E CB -0.632 29.131 29.700 0.104 0.000 1.051 199 E HN 0.586 nan 8.360 nan 0.000 0.428 200 A N 1.125 123.563 122.820 -0.638 0.000 2.849 200 A HA 0.165 4.485 4.320 -0.001 0.000 0.246 200 A C 0.223 177.299 177.584 -0.847 0.000 1.820 200 A CA 0.351 52.023 52.037 -0.608 0.000 1.512 200 A CB -1.050 17.653 19.000 -0.496 0.000 0.884 200 A HN 0.611 nan 8.150 nan 0.000 0.626 201 W N -1.934 119.327 121.300 -0.065 0.000 2.782 201 W HA 0.157 4.816 4.660 -0.001 0.000 0.268 201 W C 2.161 178.679 176.519 -0.002 0.000 1.043 201 W CA 0.371 57.526 57.345 -0.315 0.000 1.387 201 W CB -0.093 29.043 29.460 -0.540 0.000 0.904 201 W HN 0.354 nan 8.180 nan 0.000 0.625 202 S N 0.864 116.676 115.700 0.187 0.000 2.447 202 S HA -0.169 4.300 4.470 -0.001 0.000 0.233 202 S C 2.024 176.733 174.600 0.183 0.000 1.006 202 S CA 1.955 60.252 58.200 0.161 0.000 0.957 202 S CB -0.385 62.871 63.200 0.094 0.000 0.773 202 S HN 0.231 nan 8.310 nan 0.000 0.507 203 S N -0.683 115.147 115.700 0.217 0.000 2.428 203 S HA -0.030 4.439 4.470 -0.001 0.000 0.230 203 S C 0.436 175.216 174.600 0.301 0.000 1.014 203 S CA 0.078 58.403 58.200 0.208 0.000 0.957 203 S CB -0.782 62.528 63.200 0.183 0.000 0.784 203 S HN 0.627 nan 8.310 nan 0.000 0.499 204 W N 4.263 125.603 121.300 0.067 0.000 1.551 204 W HA 0.304 4.964 4.660 -0.001 0.000 0.534 204 W C 0.960 177.538 176.519 0.099 0.000 0.678 204 W CA -0.919 56.443 57.345 0.027 0.000 2.245 204 W CB -1.657 27.822 29.460 0.032 0.000 1.543 204 W HN 0.439 nan 8.180 nan 0.000 0.203 205 H N 2.941 122.092 119.070 0.135 0.000 2.836 205 H HA -0.064 4.492 4.556 -0.001 0.000 0.368 205 H C 1.858 177.231 175.328 0.075 0.000 1.164 205 H CA 0.305 56.411 56.048 0.097 0.000 1.425 205 H CB 1.134 30.936 29.762 0.067 0.000 1.414 205 H HN 0.236 nan 8.280 nan 0.000 0.614 206 K N 2.548 122.877 120.400 -0.118 0.000 2.362 206 K HA -0.182 4.137 4.320 -0.001 0.000 0.202 206 K C 0.884 177.398 176.600 -0.143 0.000 1.045 206 K CA 1.191 57.400 56.287 -0.130 0.000 0.936 206 K CB 0.102 32.495 32.500 -0.179 0.000 0.747 206 K HN 0.566 nan 8.250 nan 0.000 0.467 207 E N 2.201 122.295 120.200 -0.176 0.000 2.006 207 E HA -0.145 4.205 4.350 -0.001 0.000 0.192 207 E C 1.835 178.460 176.600 0.043 0.000 0.993 207 E CA 1.177 57.544 56.400 -0.055 0.000 0.808 207 E CB -0.476 29.252 29.700 0.046 0.000 0.764 207 E HN 0.406 nan 8.360 nan 0.000 0.449 208 D N 0.601 121.013 120.400 0.020 0.000 2.133 208 D HA -0.115 4.524 4.640 -0.001 0.000 0.195 208 D C 2.063 178.272 176.300 -0.150 0.000 0.997 208 D CA 1.033 54.960 54.000 -0.122 0.000 0.840 208 D CB -0.134 40.316 40.800 -0.583 0.000 0.947 208 D HN -0.003 nan 8.370 nan 0.000 0.452 209 S N 0.481 116.131 115.700 -0.083 0.000 2.369 209 S HA -0.167 4.303 4.470 -0.001 0.000 0.225 209 S C 2.075 176.678 174.600 0.006 0.000 1.043 209 S CA 0.786 58.990 58.200 0.008 0.000 1.074 209 S CB -0.145 63.093 63.200 0.065 0.000 0.962 209 S HN 0.193 nan 8.310 nan 0.000 0.433 210 I N 1.503 122.060 120.570 -0.022 0.000 2.091 210 I HA -0.206 3.963 4.170 -0.001 0.000 0.239 210 I C 2.240 178.345 176.117 -0.020 0.000 1.061 210 I CA 1.699 62.971 61.300 -0.048 0.000 1.317 210 I CB -2.068 35.859 38.000 -0.121 0.000 1.031 210 I HN 0.388 nan 8.210 nan 0.000 0.401 211 H N 0.769 119.827 119.070 -0.020 0.000 2.325 211 H HA -0.160 4.396 4.556 -0.001 0.000 0.293 211 H C 2.499 177.839 175.328 0.021 0.000 1.106 211 H CA 2.048 58.099 56.048 0.005 0.000 1.247 211 H CB -0.433 29.342 29.762 0.022 0.000 1.359 211 H HN 0.149 nan 8.280 nan 0.000 0.488 212 V N 0.117 120.118 119.914 0.145 0.000 2.220 212 V HA -0.243 3.877 4.120 -0.001 0.000 0.246 212 V C 2.844 178.991 176.094 0.089 0.000 1.049 212 V CA 2.031 64.400 62.300 0.115 0.000 1.003 212 V CB -1.252 30.612 31.823 0.069 0.000 0.634 212 V HN 0.588 nan 8.190 nan 0.000 0.444 213 G N -0.236 108.599 108.800 0.059 0.000 2.513 213 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.219 213 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.219 213 G C 1.660 176.574 174.900 0.024 0.000 1.160 213 G CA 1.526 46.647 45.100 0.035 0.000 0.767 213 G HN 0.379 nan 8.290 nan 0.000 0.571 214 V N 0.983 120.909 119.914 0.021 0.000 2.261 214 V HA -0.179 3.940 4.120 -0.001 0.000 0.246 214 V C 2.798 178.894 176.094 0.002 0.000 1.047 214 V CA 2.230 64.534 62.300 0.007 0.000 1.015 214 V CB -0.532 31.291 31.823 0.001 0.000 0.642 214 V HN 0.355 nan 8.190 nan 0.000 0.446 215 R N 0.153 120.668 120.500 0.024 0.000 2.105 215 R HA -0.145 4.195 4.340 -0.001 0.000 0.239 215 R C 2.106 178.375 176.300 -0.051 0.000 1.135 215 R CA 2.233 58.317 56.100 -0.027 0.000 0.967 215 R CB -1.515 28.799 30.300 0.022 0.000 0.861 215 R HN 0.582 nan 8.270 nan 0.000 0.442 216 C N -0.233 119.071 119.300 0.007 0.000 2.453 216 C HA 0.031 4.491 4.460 -0.001 0.000 0.277 216 C C 2.575 177.557 174.990 -0.013 0.000 1.262 216 C CA 0.655 59.679 59.018 0.011 0.000 1.718 216 C CB -0.930 26.834 27.740 0.042 0.000 2.031 216 C HN 0.503 nan 8.230 nan 0.000 0.480 217 I N 0.888 121.452 120.570 -0.011 0.000 2.264 217 I HA -0.246 3.923 4.170 -0.001 0.000 0.248 217 I C 2.584 178.685 176.117 -0.028 0.000 1.111 217 I CA 1.623 62.916 61.300 -0.013 0.000 1.382 217 I CB -0.753 37.243 38.000 -0.007 0.000 1.060 217 I HN 0.510 nan 8.210 nan 0.000 0.418 218 E N 0.723 120.891 120.200 -0.053 0.000 2.031 218 E HA -0.217 4.132 4.350 -0.001 0.000 0.193 218 E C 2.362 178.905 176.600 -0.095 0.000 0.994 218 E CA 1.316 57.667 56.400 -0.081 0.000 0.800 218 E CB -0.113 29.512 29.700 -0.125 0.000 0.752 218 E HN 0.458 nan 8.360 nan 0.000 0.447 219 M N 0.393 119.921 119.600 -0.120 0.000 2.202 219 M HA -0.185 4.295 4.480 -0.001 0.000 0.262 219 M C 2.370 178.651 176.300 -0.031 0.000 1.063 219 M CA 0.834 56.076 55.300 -0.097 0.000 1.097 219 M CB -0.168 32.383 32.600 -0.082 0.000 1.382 219 M HN 0.142 nan 8.290 nan 0.000 0.413 220 L N 0.927 122.139 121.223 -0.018 0.000 2.027 220 L HA -0.116 4.224 4.340 -0.001 0.000 0.206 220 L C 1.974 178.850 176.870 0.010 0.000 1.074 220 L CA 1.891 56.732 54.840 0.002 0.000 0.745 220 L CB -0.580 41.480 42.059 0.002 0.000 0.898 220 L HN 0.247 nan 8.230 nan 0.000 0.433 221 I N -0.751 119.821 120.570 0.002 0.000 2.830 221 I HA -0.173 3.996 4.170 -0.001 0.000 0.263 221 I C 2.343 178.466 176.117 0.010 0.000 1.230 221 I CA 1.006 62.313 61.300 0.013 0.000 1.480 221 I CB -0.328 37.674 38.000 0.002 0.000 1.095 221 I HN 0.457 nan 8.210 nan 0.000 0.455 222 E N 1.290 121.486 120.200 -0.006 0.000 2.086 222 E HA -0.159 4.191 4.350 -0.001 0.000 0.190 222 E C 2.290 178.900 176.600 0.017 0.000 0.975 222 E CA 1.373 57.769 56.400 -0.007 0.000 0.813 222 E CB 0.187 29.863 29.700 -0.040 0.000 0.768 222 E HN 0.456 nan 8.360 nan 0.000 0.457 223 S N -0.642 115.072 115.700 0.023 0.000 2.425 223 S HA -0.021 4.449 4.470 -0.001 0.000 0.225 223 S C 1.102 175.735 174.600 0.054 0.000 1.024 223 S CA 0.642 58.866 58.200 0.040 0.000 0.951 223 S CB -0.006 63.219 63.200 0.042 0.000 0.796 223 S HN 0.323 nan 8.310 nan 0.000 0.498 224 T N -2.801 111.789 114.554 0.060 0.000 2.838 224 T HA 0.694 5.043 4.350 -0.001 0.000 0.292 224 T C 0.030 174.808 174.700 0.130 0.000 1.113 224 T CA -0.346 61.816 62.100 0.103 0.000 1.008 224 T CB 1.444 70.361 68.868 0.081 0.000 1.259 224 T HN 0.250 nan 8.240 nan 0.000 0.520 225 G N 0.415 109.358 108.800 0.237 0.000 4.699 225 G HA2 0.411 4.370 3.960 -0.001 0.000 0.308 225 G HA3 0.411 4.370 3.960 -0.001 0.000 0.308 225 G C 0.494 175.614 174.900 0.366 0.000 1.399 225 G CA -0.432 44.791 45.100 0.204 0.000 1.221 225 G HN 0.774 nan 8.290 nan 0.000 0.596 226 M N 0.689 120.466 119.600 0.295 0.000 2.287 226 M HA 0.187 4.667 4.480 -0.001 0.000 0.266 226 M C 0.645 177.049 176.300 0.174 0.000 1.079 226 M CA 1.068 56.536 55.300 0.279 0.000 1.146 226 M CB 0.539 33.128 32.600 -0.020 0.000 1.374 226 M HN 0.199 nan 8.290 nan 0.000 0.435 227 V N -0.737 119.229 119.914 0.087 0.000 2.709 227 V HA 0.659 4.779 4.120 -0.001 0.000 0.308 227 V C -0.583 175.511 176.094 -0.000 0.000 1.062 227 V CA -0.906 61.416 62.300 0.036 0.000 0.901 227 V CB 1.432 33.269 31.823 0.024 0.000 1.003 227 V HN 0.262 nan 8.190 nan 0.000 0.425 228 S N 4.603 120.266 115.700 -0.060 0.000 2.508 228 S HA 0.702 5.171 4.470 -0.001 0.000 0.284 228 S C -0.466 174.083 174.600 -0.086 0.000 1.192 228 S CA -0.590 57.543 58.200 -0.112 0.000 1.070 228 S CB 1.451 64.509 63.200 -0.238 0.000 1.004 228 S HN 1.385 nan 8.310 nan 0.000 0.493 229 L N 4.696 125.914 121.223 -0.009 0.000 2.475 229 L HA 0.383 4.723 4.340 -0.001 0.000 0.253 229 L C -0.043 176.913 176.870 0.145 0.000 1.137 229 L CA -0.267 54.615 54.840 0.070 0.000 1.058 229 L CB -0.773 41.310 42.059 0.040 0.000 1.382 229 L HN 0.918 nan 8.230 nan 0.000 0.416 230 H N 0.182 119.254 119.070 0.004 0.000 2.502 230 H HA 0.678 5.234 4.556 -0.001 0.000 0.338 230 H C -0.229 175.099 175.328 0.001 0.000 1.155 230 H CA -1.466 54.583 56.048 0.003 0.000 1.237 230 H CB 1.075 30.839 29.762 0.004 0.000 1.534 230 H HN 0.364 nan 8.280 nan 0.000 0.523 231 R N 1.383 121.887 120.500 0.007 0.000 2.539 231 R HA 0.079 4.419 4.340 -0.001 0.000 0.275 231 R C -0.724 175.470 176.300 -0.178 0.000 1.077 231 R CA -0.260 55.799 56.100 -0.069 0.000 1.097 231 R CB 0.668 30.950 30.300 -0.030 0.000 1.018 231 R HN 0.677 nan 8.270 nan 0.000 0.483 232 Q N 3.095 122.806 119.800 -0.147 0.000 2.368 232 Q HA 0.235 4.575 4.340 -0.001 0.000 0.263 232 Q C -0.792 175.156 176.000 -0.086 0.000 1.009 232 Q CA -0.523 55.188 55.803 -0.153 0.000 0.818 232 Q CB 1.234 29.889 28.738 -0.138 0.000 1.239 232 Q HN 0.758 nan 8.270 nan 0.000 0.464 233 N N 0.428 119.083 118.700 -0.074 0.000 2.727 233 N HA -0.192 4.548 4.740 -0.001 0.000 0.251 233 N C -0.742 174.747 175.510 -0.036 0.000 1.040 233 N CA 0.749 53.771 53.050 -0.046 0.000 0.712 233 N CB -0.947 37.517 38.487 -0.038 0.000 0.912 233 N HN 0.733 nan 8.380 nan 0.000 0.545 234 A N 0.520 123.320 122.820 -0.034 0.000 2.505 234 A HA 0.508 4.828 4.320 -0.001 0.000 0.271 234 A C 1.601 179.175 177.584 -0.017 0.000 1.112 234 A CA 0.839 52.862 52.037 -0.024 0.000 0.781 234 A CB -0.337 18.652 19.000 -0.019 0.000 1.059 234 A HN 1.345 nan 8.150 nan 0.000 0.508 235 G N 1.223 110.014 108.800 -0.015 0.000 2.174 235 G HA2 0.062 4.022 3.960 -0.001 0.000 0.140 235 G HA3 0.062 4.022 3.960 -0.001 0.000 0.140 235 G C -0.286 174.607 174.900 -0.011 0.000 1.031 235 G CA -0.067 45.026 45.100 -0.011 0.000 0.728 235 G HN 1.365 nan 8.290 nan 0.000 0.496 236 V N 1.217 121.123 119.914 -0.014 0.000 2.531 236 V HA 0.398 4.517 4.120 -0.001 0.000 0.301 236 V C 1.623 177.710 176.094 -0.012 0.000 1.034 236 V CA -0.302 61.990 62.300 -0.013 0.000 0.865 236 V CB 1.669 33.483 31.823 -0.015 0.000 0.995 236 V HN 0.075 nan 8.190 nan 0.000 0.424 237 V N 3.398 123.306 119.914 -0.010 0.000 2.392 237 V HA -0.115 4.004 4.120 -0.001 0.000 0.249 237 V C 1.974 178.062 176.094 -0.011 0.000 1.059 237 V CA 2.547 64.841 62.300 -0.009 0.000 1.051 237 V CB -0.612 31.206 31.823 -0.007 0.000 0.658 237 V HN 1.032 nan 8.190 nan 0.000 0.455 238 G N -2.157 106.636 108.800 -0.011 0.000 3.575 238 G HA2 0.243 4.203 3.960 -0.001 0.000 0.273 238 G HA3 0.243 4.203 3.960 -0.001 0.000 0.273 238 G C 0.936 175.828 174.900 -0.015 0.000 1.053 238 G CA -0.035 45.058 45.100 -0.012 0.000 0.803 238 G HN 0.461 nan 8.290 nan 0.000 0.528 239 Q N -0.548 119.241 119.800 -0.017 0.000 2.254 239 Q HA 0.055 4.395 4.340 -0.001 0.000 0.259 239 Q C -0.058 175.925 176.000 -0.028 0.000 0.815 239 Q CA -0.311 55.479 55.803 -0.022 0.000 0.961 239 Q CB 0.781 29.506 28.738 -0.021 0.000 1.140 239 Q HN 0.230 nan 8.270 nan 0.000 0.502 240 D N 1.686 122.071 120.400 -0.025 0.000 2.479 240 D HA 0.013 4.653 4.640 -0.001 0.000 0.253 240 D C -1.052 175.231 176.300 -0.028 0.000 1.278 240 D CA 0.485 54.468 54.000 -0.027 0.000 1.145 240 D CB 0.061 40.849 40.800 -0.021 0.000 1.118 240 D HN -0.040 nan 8.370 nan 0.000 0.513 241 S N 2.664 118.343 115.700 -0.036 0.000 2.530 241 S HA 0.149 4.618 4.470 -0.001 0.000 0.322 241 S C -0.040 174.537 174.600 -0.037 0.000 1.085 241 S CA -0.816 57.364 58.200 -0.032 0.000 1.096 241 S CB 1.835 65.017 63.200 -0.030 0.000 0.988 241 S HN 0.427 nan 8.310 nan 0.000 0.466 242 E N 2.653 122.839 120.200 -0.023 0.000 2.324 242 E HA 0.292 4.642 4.350 -0.001 0.000 0.271 242 E C 0.266 176.868 176.600 0.002 0.000 1.028 242 E CA -0.002 56.391 56.400 -0.011 0.000 0.890 242 E CB 0.473 30.172 29.700 -0.001 0.000 1.004 242 E HN 0.713 nan 8.360 nan 0.000 0.431 243 T N 1.408 115.976 114.554 0.024 0.000 2.693 243 T HA 0.568 4.917 4.350 -0.001 0.000 0.278 243 T C -0.426 174.352 174.700 0.131 0.000 0.994 243 T CA -0.923 61.209 62.100 0.055 0.000 1.033 243 T CB 0.952 69.841 68.868 0.035 0.000 1.342 243 T HN 0.251 nan 8.240 nan 0.000 0.538 244 I N 0.831 121.473 120.570 0.120 0.000 2.608 244 I HA 0.670 4.840 4.170 -0.001 0.000 0.295 244 I C -0.542 175.641 176.117 0.110 0.000 1.049 244 I CA -0.651 60.711 61.300 0.104 0.000 1.063 244 I CB 1.913 39.944 38.000 0.051 0.000 1.248 244 I HN 0.910 nan 8.210 nan 0.000 0.424 245 E N 3.571 123.789 120.200 0.030 0.000 2.293 245 E HA 0.482 4.831 4.350 -0.001 0.000 0.270 245 E C -1.435 175.151 176.600 -0.023 0.000 0.879 245 E CA -0.698 55.701 56.400 -0.001 0.000 0.756 245 E CB 2.327 31.955 29.700 -0.120 0.000 1.208 245 E HN 0.387 nan 8.360 nan 0.000 0.428 246 L N 3.062 124.294 121.223 0.016 0.000 2.367 246 L HA 0.524 4.863 4.340 -0.001 0.000 0.275 246 L C -0.355 176.543 176.870 0.045 0.000 1.129 246 L CA 0.142 55.009 54.840 0.045 0.000 0.839 246 L CB 0.666 42.762 42.059 0.062 0.000 1.133 246 L HN 0.676 nan 8.230 nan 0.000 0.453 247 A N 7.025 129.904 122.820 0.098 0.000 2.561 247 A HA 0.200 4.519 4.320 -0.001 0.000 0.251 247 A C -1.526 176.080 177.584 0.037 0.000 1.062 247 A CA -0.518 51.562 52.037 0.073 0.000 0.761 247 A CB -0.677 18.434 19.000 0.186 0.000 0.986 247 A HN 0.833 nan 8.150 nan 0.000 0.510 248 P HA -0.200 nan 4.420 nan 0.000 0.216 248 P C 1.039 178.322 177.300 -0.027 0.000 1.157 248 P CA 1.689 64.779 63.100 -0.016 0.000 0.880 248 P CB 0.233 31.913 31.700 -0.033 0.000 0.791 249 E N -1.335 118.801 120.200 -0.106 0.000 2.031 249 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 249 E C 2.072 178.631 176.600 -0.067 0.000 0.994 249 E CA 1.339 57.648 56.400 -0.151 0.000 0.800 249 E CB -1.237 28.269 29.700 -0.323 0.000 0.752 249 E HN 0.423 nan 8.360 nan 0.000 0.447 250 Y N -0.098 120.213 120.300 0.018 0.000 2.384 250 Y HA -0.203 4.347 4.550 -0.001 0.000 0.289 250 Y C 2.159 178.082 175.900 0.038 0.000 1.152 250 Y CA 0.244 58.360 58.100 0.028 0.000 1.258 250 Y CB -0.026 38.451 38.460 0.028 0.000 0.979 250 Y HN 0.097 nan 8.280 nan 0.000 0.549 251 A N 0.018 122.941 122.820 0.171 0.000 2.021 251 A HA -0.098 4.222 4.320 -0.001 0.000 0.216 251 A C 1.896 179.542 177.584 0.104 0.000 1.163 251 A CA 0.952 53.066 52.037 0.128 0.000 0.676 251 A CB -0.249 18.806 19.000 0.092 0.000 0.818 251 A HN 0.448 nan 8.150 nan 0.000 0.453 252 E N 0.151 120.397 120.200 0.077 0.000 2.072 252 E HA -0.032 4.317 4.350 -0.001 0.000 0.190 252 E C 2.334 178.969 176.600 0.058 0.000 0.982 252 E CA 0.769 57.200 56.400 0.052 0.000 0.803 252 E CB -0.273 29.439 29.700 0.020 0.000 0.755 252 E HN 0.576 nan 8.360 nan 0.000 0.453 253 A N 1.896 124.764 122.820 0.080 0.000 1.851 253 A HA -0.209 4.110 4.320 -0.001 0.000 0.216 253 A C 2.249 179.876 177.584 0.072 0.000 1.195 253 A CA 1.292 53.377 52.037 0.079 0.000 0.622 253 A CB -0.817 18.260 19.000 0.129 0.000 0.831 253 A HN 0.128 nan 8.150 nan 0.000 0.444 254 I N -0.219 120.415 120.570 0.107 0.000 2.118 254 I HA -0.370 3.800 4.170 -0.001 0.000 0.241 254 I C 3.021 179.194 176.117 0.093 0.000 1.070 254 I CA 1.414 62.783 61.300 0.116 0.000 1.327 254 I CB -0.585 37.522 38.000 0.179 0.000 1.034 254 I HN 0.404 nan 8.210 nan 0.000 0.405 255 A N 0.307 123.193 122.820 0.109 0.000 1.908 255 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 255 A C 2.374 179.966 177.584 0.012 0.000 1.181 255 A CA 2.640 54.731 52.037 0.090 0.000 0.627 255 A CB -1.110 17.943 19.000 0.089 0.000 0.818 255 A HN 0.434 nan 8.150 nan 0.000 0.445 256 T N -0.935 113.620 114.554 0.003 0.000 2.777 256 T HA -0.098 4.251 4.350 -0.001 0.000 0.266 256 T C 2.163 176.821 174.700 -0.069 0.000 1.040 256 T CA 1.159 63.239 62.100 -0.033 0.000 1.141 256 T CB -0.228 68.630 68.868 -0.018 0.000 0.868 256 T HN 0.348 nan 8.240 nan 0.000 0.444 257 R N 1.376 121.845 120.500 -0.052 0.000 2.070 257 R HA 0.014 4.353 4.340 -0.001 0.000 0.233 257 R C 2.600 178.805 176.300 -0.158 0.000 1.137 257 R CA 1.847 57.901 56.100 -0.078 0.000 0.945 257 R CB -0.991 29.288 30.300 -0.036 0.000 0.845 257 R HN 0.401 nan 8.270 nan 0.000 0.430 258 A N 0.012 122.726 122.820 -0.177 0.000 1.883 258 A HA -0.094 4.225 4.320 -0.001 0.000 0.217 258 A C 2.388 179.678 177.584 -0.490 0.000 1.186 258 A CA 1.986 53.828 52.037 -0.325 0.000 0.624 258 A CB -1.304 17.459 19.000 -0.395 0.000 0.822 258 A HN 0.518 nan 8.150 nan 0.000 0.444 259 G N -0.360 108.276 108.800 -0.274 0.000 2.587 259 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.217 259 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.217 259 G C 1.852 176.553 174.900 -0.331 0.000 1.240 259 G CA 2.143 47.087 45.100 -0.260 0.000 0.794 259 G HN 0.956 nan 8.290 nan 0.000 0.580 260 A N 0.258 122.928 122.820 -0.251 0.000 1.903 260 A HA -0.084 4.235 4.320 -0.001 0.000 0.219 260 A C 2.433 179.857 177.584 -0.267 0.000 1.191 260 A CA 2.092 53.997 52.037 -0.220 0.000 0.638 260 A CB -0.657 18.255 19.000 -0.146 0.000 0.823 260 A HN 0.511 nan 8.150 nan 0.000 0.451 261 L N -0.118 120.895 121.223 -0.351 0.000 2.013 261 L HA -0.172 4.168 4.340 -0.001 0.000 0.212 261 L C 2.689 179.237 176.870 -0.537 0.000 1.073 261 L CA 2.408 57.011 54.840 -0.396 0.000 0.753 261 L CB -0.971 40.829 42.059 -0.432 0.000 0.890 261 L HN 0.389 nan 8.230 nan 0.000 0.432 262 A N -1.070 121.177 122.820 -0.954 0.000 2.186 262 A HA -0.049 4.270 4.320 -0.001 0.000 0.219 262 A C 1.979 179.455 177.584 -0.179 0.000 1.159 262 A CA 1.353 52.953 52.037 -0.730 0.000 0.680 262 A CB -1.249 17.332 19.000 -0.699 0.000 0.787 262 A HN 0.565 nan 8.150 nan 0.000 0.467 263 G N -1.188 107.527 108.800 -0.143 0.000 3.337 263 G HA2 0.402 4.362 3.960 -0.001 0.000 0.246 263 G HA3 0.402 4.362 3.960 -0.001 0.000 0.246 263 G C 0.702 175.761 174.900 0.265 0.000 1.131 263 G CA 0.240 45.407 45.100 0.112 0.000 0.773 263 G HN 0.474 nan 8.290 nan 0.000 0.544 264 I N -0.243 120.388 120.570 0.102 0.000 4.240 264 I HA 0.208 4.378 4.170 -0.001 0.000 0.331 264 I C 0.877 176.999 176.117 0.008 0.000 1.381 264 I CA 0.085 61.453 61.300 0.113 0.000 1.136 264 I CB 1.293 39.325 38.000 0.054 0.000 1.137 264 I HN 0.119 nan 8.210 nan 0.000 0.411 265 S N 4.094 119.763 115.700 -0.052 0.000 2.080 265 S HA 0.375 4.844 4.470 -0.001 0.000 0.162 265 S C -2.432 171.981 174.600 -0.311 0.000 1.618 265 S CA -1.384 56.730 58.200 -0.142 0.000 1.200 265 S CB 0.177 63.361 63.200 -0.025 0.000 1.135 265 S HN 0.006 nan 8.310 nan 0.000 0.455 266 P HA 0.270 nan 4.420 nan 0.000 0.282 266 P C -0.623 176.168 177.300 -0.848 0.000 1.249 266 P CA -0.614 61.929 63.100 -0.928 0.000 0.806 266 P CB 0.782 31.435 31.700 -1.744 0.000 0.984 267 M N 2.583 121.877 119.600 -0.510 0.000 2.664 267 M HA 0.224 4.704 4.480 -0.001 0.000 0.332 267 M C -0.367 175.848 176.300 -0.142 0.000 1.354 267 M CA -0.543 54.590 55.300 -0.278 0.000 1.399 267 M CB -0.551 32.000 32.600 -0.082 0.000 1.224 267 M HN 0.167 nan 8.290 nan 0.000 0.479 268 F N 2.331 122.279 119.950 -0.002 0.000 2.608 268 F HA 0.064 4.590 4.527 -0.001 0.000 0.380 268 F C 0.928 176.825 175.800 0.162 0.000 1.083 268 F CA 0.204 58.248 58.000 0.073 0.000 1.266 268 F CB 0.056 39.202 39.000 0.244 0.000 1.076 268 F HN 0.481 nan 8.300 nan 0.000 0.574 269 Q N 4.273 124.281 119.800 0.346 0.000 2.418 269 Q HA 0.482 4.821 4.340 -0.001 0.000 0.276 269 Q C -2.389 173.783 176.000 0.287 0.000 1.081 269 Q CA -2.072 53.920 55.803 0.316 0.000 0.864 269 Q CB 1.506 30.403 28.738 0.266 0.000 1.384 269 Q HN 0.274 nan 8.270 nan 0.000 0.467 270 P HA 0.091 nan 4.420 nan 0.000 0.275 270 P C -0.916 176.333 177.300 -0.084 0.000 1.270 270 P CA -0.246 62.826 63.100 -0.048 0.000 0.791 270 P CB 0.533 31.973 31.700 -0.433 0.000 1.089 271 C N -0.379 118.868 119.300 -0.088 0.000 2.435 271 C HA 0.250 4.709 4.460 -0.001 0.000 0.333 271 C C 1.794 176.801 174.990 0.030 0.000 1.202 271 C CA -0.234 58.829 59.018 0.076 0.000 1.830 271 C CB 1.185 29.084 27.740 0.266 0.000 2.326 271 C HN 0.336 nan 8.230 nan 0.000 0.507 272 V N 2.272 122.250 119.914 0.105 0.000 3.608 272 V HA 0.070 4.190 4.120 -0.001 0.000 0.269 272 V C 0.458 176.742 176.094 0.317 0.000 1.245 272 V CA 0.708 63.111 62.300 0.173 0.000 1.138 272 V CB -0.543 31.403 31.823 0.204 0.000 0.841 272 V HN 0.782 nan 8.190 nan 0.000 0.451 273 V N -4.570 115.447 119.914 0.173 0.000 3.114 273 V HA 0.658 4.777 4.120 -0.001 0.000 0.308 273 V C -3.113 172.592 176.094 -0.649 0.000 1.168 273 V CA -3.122 58.936 62.300 -0.404 0.000 1.015 273 V CB 1.735 32.968 31.823 -0.983 0.000 1.050 273 V HN -0.081 nan 8.190 nan 0.000 0.433 274 P HA 0.194 nan 4.420 nan 0.000 0.263 274 P C -2.595 174.605 177.300 -0.167 0.000 1.175 274 P CA -0.048 62.377 63.100 -1.124 0.000 0.761 274 P CB -0.243 30.927 31.700 -0.885 0.000 0.794 275 P HA 0.016 nan 4.420 nan 0.000 0.270 275 P C -0.389 176.761 177.300 -0.251 0.000 1.223 275 P CA -0.138 62.948 63.100 -0.022 0.000 0.785 275 P CB 0.339 32.002 31.700 -0.063 0.000 0.923 276 K N 2.926 122.738 120.400 -0.979 0.000 2.378 276 K HA 0.162 4.482 4.320 -0.001 0.000 0.288 276 K C -2.279 173.885 176.600 -0.726 0.000 1.057 276 K CA -1.567 53.873 56.287 -1.412 0.000 0.971 276 K CB -0.551 30.814 32.500 -1.892 0.000 0.975 276 K HN 0.265 nan 8.250 nan 0.000 0.475 277 P HA -0.115 nan 4.420 nan 0.000 0.264 277 P C -1.108 176.107 177.300 -0.142 0.000 1.183 277 P CA 0.267 63.279 63.100 -0.147 0.000 0.763 277 P CB 0.294 31.989 31.700 -0.009 0.000 0.807 278 W N 2.183 123.495 121.300 0.020 0.000 2.356 278 W HA 0.187 4.847 4.660 -0.001 0.000 0.311 278 W C 1.594 178.252 176.519 0.232 0.000 1.328 278 W CA 0.491 57.900 57.345 0.108 0.000 1.251 278 W CB 0.478 30.003 29.460 0.109 0.000 1.280 278 W HN 0.296 nan 8.180 nan 0.000 0.524 279 T N 1.505 116.290 114.554 0.385 0.000 2.985 279 T HA 0.367 4.716 4.350 -0.001 0.000 0.254 279 T C 0.433 175.202 174.700 0.114 0.000 1.021 279 T CA 0.620 62.803 62.100 0.139 0.000 0.957 279 T CB -0.048 68.851 68.868 0.053 0.000 1.047 279 T HN 0.561 nan 8.240 nan 0.000 0.511 280 G N 0.250 109.313 108.800 0.438 0.000 2.619 280 G HA2 0.454 4.413 3.960 -0.001 0.000 0.305 280 G HA3 0.454 4.413 3.960 -0.001 0.000 0.305 280 G C -0.087 175.101 174.900 0.479 0.000 1.330 280 G CA -0.578 44.765 45.100 0.406 0.000 0.789 280 G HN -0.075 nan 8.290 nan 0.000 0.487 281 I N 0.811 121.569 120.570 0.314 0.000 2.315 281 I HA 0.022 4.192 4.170 -0.001 0.000 0.251 281 I C 1.877 178.133 176.117 0.232 0.000 1.125 281 I CA 2.192 63.606 61.300 0.190 0.000 1.392 281 I CB -0.810 37.286 38.000 0.161 0.000 1.065 281 I HN 0.784 nan 8.210 nan 0.000 0.424 282 T N -5.041 109.731 114.554 0.363 0.000 2.696 282 T HA 0.589 4.938 4.350 -0.001 0.000 0.291 282 T C 0.867 175.785 174.700 0.363 0.000 1.095 282 T CA -0.210 62.164 62.100 0.455 0.000 1.026 282 T CB 1.392 70.404 68.868 0.239 0.000 1.390 282 T HN 0.362 nan 8.240 nan 0.000 0.513 283 G N -0.549 108.341 108.800 0.151 0.000 2.184 283 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.264 283 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.264 283 G C 0.660 175.264 174.900 -0.494 0.000 0.975 283 G CA 0.540 45.585 45.100 -0.092 0.000 0.642 283 G HN 1.369 nan 8.290 nan 0.000 0.536 284 G N -1.833 106.218 108.800 -1.249 0.000 2.543 284 G HA2 0.625 4.585 3.960 -0.001 0.000 0.290 284 G HA3 0.625 4.585 3.960 -0.001 0.000 0.290 284 G C 1.457 175.240 174.900 -1.860 0.000 1.310 284 G CA 1.283 45.078 45.100 -2.174 0.000 1.025 284 G HN 1.776 nan 8.290 nan 0.000 0.502 285 G N -0.825 107.041 108.800 -1.557 0.000 4.766 285 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.314 285 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.314 285 G C 0.374 174.806 174.900 -0.780 0.000 1.427 285 G CA 0.845 45.382 45.100 -0.938 0.000 1.024 285 G HN 0.806 nan 8.290 nan 0.000 0.754 286 Y N 0.536 120.554 120.300 -0.471 0.000 2.298 286 Y HA 0.549 5.099 4.550 -0.001 0.000 0.329 286 Y C 1.292 176.962 175.900 -0.383 0.000 1.293 286 Y CA -0.540 57.388 58.100 -0.286 0.000 1.388 286 Y CB 0.479 38.882 38.460 -0.095 0.000 1.309 286 Y HN 0.466 nan 8.280 nan 0.000 0.544 287 W N 0.161 121.540 121.300 0.132 0.000 2.678 287 W HA 0.399 5.059 4.660 -0.000 0.000 0.282 287 W C 1.019 177.591 176.519 0.087 0.000 1.137 287 W CA 0.642 58.032 57.345 0.074 0.000 1.515 287 W CB -0.743 28.763 29.460 0.077 0.000 1.101 287 W HN 0.548 nan 8.180 nan 0.000 0.564 288 A N 1.262 124.281 122.820 0.331 0.000 2.567 288 A HA -0.068 4.252 4.320 -0.001 0.000 0.236 288 A C 0.208 177.889 177.584 0.162 0.000 1.088 288 A CA 0.396 52.559 52.037 0.211 0.000 0.776 288 A CB -0.300 18.791 19.000 0.151 0.000 1.033 288 A HN 0.430 nan 8.150 nan 0.000 0.513 289 N N 0.408 119.181 118.700 0.122 0.000 3.170 289 N HA 0.329 5.069 4.740 -0.001 0.000 0.305 289 N C 0.355 175.899 175.510 0.056 0.000 1.499 289 N CA -0.191 52.917 53.050 0.096 0.000 1.110 289 N CB 0.632 39.174 38.487 0.092 0.000 1.390 289 N HN 0.838 nan 8.380 nan 0.000 0.508 290 G N 0.187 109.011 108.800 0.039 0.000 2.544 290 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.242 290 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.242 290 G C 1.010 175.942 174.900 0.054 0.000 1.247 290 G CA -0.404 44.629 45.100 -0.112 0.000 0.840 290 G HN 0.405 nan 8.290 nan 0.000 0.578 291 R N -0.083 120.440 120.500 0.039 0.000 2.343 291 R HA -0.003 4.336 4.340 -0.001 0.000 0.202 291 R C 0.915 177.351 176.300 0.228 0.000 1.023 291 R CA 0.133 56.308 56.100 0.126 0.000 1.084 291 R CB -0.181 30.173 30.300 0.090 0.000 0.956 291 R HN 0.469 nan 8.270 nan 0.000 0.478 292 R N 0.794 121.514 120.500 0.367 0.000 2.748 292 R HA 0.279 4.619 4.340 -0.001 0.000 0.283 292 R C -2.630 173.910 176.300 0.401 0.000 1.507 292 R CA -1.791 54.547 56.100 0.397 0.000 1.666 292 R CB 0.327 30.916 30.300 0.482 0.000 1.237 292 R HN -0.157 nan 8.270 nan 0.000 0.633 293 P HA 0.006 nan 4.420 nan 0.000 0.267 293 P C -0.329 177.110 177.300 0.232 0.000 1.205 293 P CA -0.100 63.135 63.100 0.225 0.000 0.765 293 P CB 0.605 32.405 31.700 0.167 0.000 0.828 294 L N 2.062 123.410 121.223 0.208 0.000 2.455 294 L HA 0.275 4.614 4.340 -0.001 0.000 0.272 294 L C 0.886 177.997 176.870 0.401 0.000 1.174 294 L CA -0.233 54.760 54.840 0.255 0.000 0.869 294 L CB 0.341 42.527 42.059 0.213 0.000 1.130 294 L HN 0.454 nan 8.230 nan 0.000 0.474 295 A N 3.246 126.189 122.820 0.204 0.000 2.304 295 A HA 0.326 4.645 4.320 -0.001 0.000 0.301 295 A C 0.505 177.924 177.584 -0.274 0.000 1.132 295 A CA -0.583 51.483 52.037 0.049 0.000 0.819 295 A CB 1.043 20.042 19.000 -0.002 0.000 1.094 295 A HN 0.756 nan 8.150 nan 0.000 0.492 296 L N 2.733 123.606 121.223 -0.583 0.000 2.291 296 L HA 0.160 4.500 4.340 -0.001 0.000 0.214 296 L C -0.017 176.476 176.870 -0.629 0.000 1.120 296 L CA 1.594 55.794 54.840 -1.067 0.000 0.799 296 L CB -0.010 41.465 42.059 -0.972 0.000 0.925 296 L HN 0.373 nan 8.230 nan 0.000 0.446 297 V N 1.190 120.851 119.914 -0.421 0.000 2.638 297 V HA 0.382 4.501 4.120 -0.001 0.000 0.306 297 V C -0.301 175.677 176.094 -0.193 0.000 1.052 297 V CA -0.803 61.300 62.300 -0.329 0.000 0.885 297 V CB 1.828 33.347 31.823 -0.507 0.000 0.999 297 V HN 0.108 nan 8.190 nan 0.000 0.424 298 R N 2.677 123.084 120.500 -0.154 0.000 2.612 298 R HA 0.290 4.629 4.340 -0.001 0.000 0.273 298 R C 0.363 176.607 176.300 -0.093 0.000 1.376 298 R CA -0.173 55.854 56.100 -0.123 0.000 1.171 298 R CB 0.035 30.233 30.300 -0.170 0.000 1.151 298 R HN 0.828 nan 8.270 nan 0.000 0.560 299 T N -2.312 112.200 114.554 -0.069 0.000 2.912 299 T HA 0.194 4.544 4.350 -0.001 0.000 0.280 299 T C 1.084 175.720 174.700 -0.107 0.000 0.989 299 T CA -0.718 61.350 62.100 -0.054 0.000 0.995 299 T CB 1.585 70.459 68.868 0.010 0.000 1.077 299 T HN 0.438 nan 8.240 nan 0.000 0.531 300 H N 0.835 119.911 119.070 0.009 0.000 2.329 300 H HA 0.175 4.731 4.556 -0.001 0.000 0.306 300 H C 1.357 176.674 175.328 -0.018 0.000 1.062 300 H CA 1.414 57.459 56.048 -0.004 0.000 1.364 300 H CB -0.195 29.541 29.762 -0.043 0.000 1.409 300 H HN 0.771 nan 8.280 nan 0.000 0.519 301 S N 0.372 116.123 115.700 0.085 0.000 2.549 301 S HA 0.235 4.704 4.470 -0.001 0.000 0.297 301 S C 1.122 175.723 174.600 0.003 0.000 1.115 301 S CA -0.875 57.340 58.200 0.024 0.000 1.059 301 S CB 3.108 66.299 63.200 -0.015 0.000 1.046 301 S HN 0.259 nan 8.310 nan 0.000 0.506 302 K N 1.904 122.304 120.400 0.001 0.000 2.103 302 K HA -0.183 4.136 4.320 -0.001 0.000 0.207 302 K C 1.969 178.555 176.600 -0.024 0.000 1.048 302 K CA 1.630 57.917 56.287 -0.001 0.000 0.930 302 K CB -0.250 32.251 32.500 0.002 0.000 0.716 302 K HN 0.715 nan 8.250 nan 0.000 0.444 303 K N 0.081 120.451 120.400 -0.049 0.000 2.074 303 K HA -0.174 4.146 4.320 -0.001 0.000 0.209 303 K C 1.950 178.471 176.600 -0.132 0.000 1.048 303 K CA 1.442 57.674 56.287 -0.091 0.000 0.926 303 K CB -0.249 32.190 32.500 -0.103 0.000 0.713 303 K HN 0.291 nan 8.250 nan 0.000 0.444 304 A N 1.477 124.232 122.820 -0.110 0.000 1.972 304 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 304 A C 2.080 179.661 177.584 -0.005 0.000 1.169 304 A CA 1.095 53.059 52.037 -0.120 0.000 0.635 304 A CB -0.552 18.410 19.000 -0.063 0.000 0.810 304 A HN 0.431 nan 8.150 nan 0.000 0.446 305 L N -0.975 120.267 121.223 0.032 0.000 1.994 305 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 305 L C 2.439 179.383 176.870 0.125 0.000 1.071 305 L CA 1.812 56.711 54.840 0.099 0.000 0.745 305 L CB -0.437 41.648 42.059 0.043 0.000 0.892 305 L HN 0.311 nan 8.230 nan 0.000 0.431 306 M N -0.325 119.282 119.600 0.010 0.000 2.144 306 M HA -0.240 4.240 4.480 -0.001 0.000 0.260 306 M C 2.146 178.389 176.300 -0.095 0.000 1.067 306 M CA 1.526 56.811 55.300 -0.025 0.000 1.095 306 M CB -1.477 31.086 32.600 -0.062 0.000 1.365 306 M HN 0.277 nan 8.290 nan 0.000 0.406 307 R N -1.137 119.207 120.500 -0.261 0.000 2.261 307 R HA -0.198 4.142 4.340 -0.001 0.000 0.236 307 R C 1.650 177.683 176.300 -0.445 0.000 1.141 307 R CA 1.319 57.079 56.100 -0.566 0.000 1.001 307 R CB -0.422 29.123 30.300 -1.258 0.000 0.866 307 R HN 0.432 nan 8.270 nan 0.000 0.468 308 Y N -0.185 120.065 120.300 -0.082 0.000 2.503 308 Y HA 0.020 4.570 4.550 0.000 0.000 0.278 308 Y C 2.156 178.088 175.900 0.053 0.000 1.111 308 Y CA 0.039 58.155 58.100 0.026 0.000 1.270 308 Y CB -0.004 38.467 38.460 0.019 0.000 1.063 308 Y HN 0.067 nan 8.280 nan 0.000 0.548 309 E N 0.734 121.024 120.200 0.151 0.000 2.149 309 E HA -0.290 4.059 4.350 -0.001 0.000 0.215 309 E C 0.323 177.001 176.600 0.129 0.000 1.055 309 E CA 2.115 58.590 56.400 0.125 0.000 0.870 309 E CB -0.041 29.697 29.700 0.063 0.000 0.764 309 E HN 0.402 nan 8.360 nan 0.000 0.463 310 D N -0.314 120.143 120.400 0.096 0.000 2.501 310 D HA 0.110 4.749 4.640 -0.001 0.000 0.226 310 D C -0.675 175.710 176.300 0.140 0.000 1.198 310 D CA -0.094 53.969 54.000 0.106 0.000 0.830 310 D CB 0.747 41.585 40.800 0.063 0.000 1.014 310 D HN -0.043 nan 8.370 nan 0.000 0.496 311 V N 1.590 121.604 119.914 0.167 0.000 2.555 311 V HA -0.008 4.112 4.120 -0.001 0.000 0.286 311 V C -0.125 176.123 176.094 0.258 0.000 1.044 311 V CA -0.523 61.888 62.300 0.186 0.000 1.026 311 V CB 0.453 32.364 31.823 0.147 0.000 0.981 311 V HN 0.115 nan 8.190 nan 0.000 0.480 312 Y N 7.344 127.712 120.300 0.114 0.000 2.504 312 Y HA 0.527 5.077 4.550 0.000 0.000 0.351 312 Y C 0.445 176.432 175.900 0.144 0.000 0.988 312 Y CA -0.954 57.216 58.100 0.116 0.000 1.239 312 Y CB 0.823 39.327 38.460 0.075 0.000 1.128 312 Y HN 0.691 nan 8.280 nan 0.000 0.525 313 M N 6.936 126.460 119.600 -0.126 0.000 3.093 313 M HA 0.361 4.841 4.480 -0.001 0.000 0.336 313 M C -2.871 173.416 176.300 -0.020 0.000 1.637 313 M CA -1.703 53.577 55.300 -0.034 0.000 0.543 313 M CB 1.301 33.981 32.600 0.133 0.000 1.571 313 M HN 0.164 nan 8.290 nan 0.000 0.431 314 P HA -0.150 nan 4.420 nan 0.000 0.215 314 P C 1.228 178.537 177.300 0.016 0.000 1.157 314 P CA 1.548 64.547 63.100 -0.168 0.000 0.868 314 P CB 0.167 31.706 31.700 -0.268 0.000 0.788 315 E N -0.399 119.801 120.200 -0.001 0.000 2.085 315 E HA -0.120 4.230 4.350 -0.001 0.000 0.194 315 E C 2.187 178.806 176.600 0.031 0.000 0.994 315 E CA 0.801 57.217 56.400 0.027 0.000 0.801 315 E CB -1.298 28.414 29.700 0.021 0.000 0.743 315 E HN 0.039 nan 8.360 nan 0.000 0.453 316 V N 0.521 120.458 119.914 0.039 0.000 2.255 316 V HA -0.288 3.832 4.120 -0.001 0.000 0.247 316 V C 2.104 178.171 176.094 -0.046 0.000 1.051 316 V CA 1.888 64.182 62.300 -0.010 0.000 1.018 316 V CB -0.617 31.226 31.823 0.033 0.000 0.641 316 V HN 0.252 nan 8.190 nan 0.000 0.445 317 Y N 0.501 120.793 120.300 -0.013 0.000 2.165 317 Y HA -0.260 4.290 4.550 -0.001 0.000 0.286 317 Y C 2.483 178.389 175.900 0.011 0.000 1.155 317 Y CA 2.010 60.115 58.100 0.008 0.000 1.164 317 Y CB -0.362 38.110 38.460 0.021 0.000 0.978 317 Y HN 0.217 nan 8.280 nan 0.000 0.513 318 K N -0.265 120.225 120.400 0.150 0.000 2.009 318 K HA -0.226 4.093 4.320 -0.001 0.000 0.210 318 K C 2.408 179.018 176.600 0.017 0.000 1.049 318 K CA 1.246 57.587 56.287 0.089 0.000 0.929 318 K CB -0.524 32.022 32.500 0.078 0.000 0.714 318 K HN 0.285 nan 8.250 nan 0.000 0.440 319 A N 1.936 124.738 122.820 -0.030 0.000 1.849 319 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 319 A C 2.076 179.578 177.584 -0.136 0.000 1.202 319 A CA 1.787 53.754 52.037 -0.116 0.000 0.629 319 A CB -0.762 18.157 19.000 -0.134 0.000 0.834 319 A HN 0.156 nan 8.150 nan 0.000 0.447 320 I N 0.987 121.489 120.570 -0.114 0.000 2.185 320 I HA -0.286 3.883 4.170 -0.001 0.000 0.246 320 I C 2.045 178.164 176.117 0.003 0.000 1.088 320 I CA 1.627 62.873 61.300 -0.090 0.000 1.347 320 I CB -1.841 36.096 38.000 -0.104 0.000 1.041 320 I HN 0.384 nan 8.210 nan 0.000 0.415 321 N N 0.456 119.191 118.700 0.058 0.000 2.216 321 N HA -0.082 4.657 4.740 -0.001 0.000 0.183 321 N C 1.908 177.423 175.510 0.007 0.000 1.017 321 N CA 0.933 54.036 53.050 0.088 0.000 0.861 321 N CB 0.040 38.603 38.487 0.127 0.000 0.986 321 N HN 0.228 nan 8.380 nan 0.000 0.428 322 I N 1.836 122.365 120.570 -0.068 0.000 2.127 322 I HA -0.203 3.966 4.170 -0.001 0.000 0.241 322 I C 2.457 178.507 176.117 -0.111 0.000 1.075 322 I CA 0.769 61.969 61.300 -0.167 0.000 1.334 322 I CB -1.540 36.283 38.000 -0.296 0.000 1.040 322 I HN 0.002 nan 8.210 nan 0.000 0.405 323 A N 0.132 122.842 122.820 -0.183 0.000 1.851 323 A HA -0.302 4.017 4.320 -0.001 0.000 0.216 323 A C 2.304 179.831 177.584 -0.095 0.000 1.195 323 A CA 2.045 53.947 52.037 -0.227 0.000 0.622 323 A CB -1.068 17.617 19.000 -0.524 0.000 0.831 323 A HN 0.556 nan 8.150 nan 0.000 0.444 324 Q N -0.798 118.967 119.800 -0.058 0.000 2.376 324 Q HA -0.229 4.111 4.340 -0.001 0.000 0.211 324 Q C 1.144 177.336 176.000 0.320 0.000 0.986 324 Q CA 1.721 57.730 55.803 0.343 0.000 0.886 324 Q CB -0.212 28.728 28.738 0.338 0.000 0.927 324 Q HN 0.674 nan 8.270 nan 0.000 0.457 325 N N -0.687 118.124 118.700 0.185 0.000 2.280 325 N HA 0.039 4.779 4.740 -0.001 0.000 0.192 325 N C -0.900 174.800 175.510 0.316 0.000 1.109 325 N CA 0.081 53.218 53.050 0.146 0.000 0.855 325 N CB 0.630 39.137 38.487 0.033 0.000 0.974 325 N HN 0.002 nan 8.380 nan 0.000 0.482 326 T N 0.737 115.489 114.554 0.329 0.000 2.888 326 T HA 0.329 4.678 4.350 -0.001 0.000 0.301 326 T C 0.078 174.884 174.700 0.177 0.000 1.001 326 T CA -0.289 61.914 62.100 0.172 0.000 1.147 326 T CB 0.947 69.813 68.868 -0.003 0.000 0.931 326 T HN 0.192 nan 8.240 nan 0.000 0.541 327 A N 3.885 126.718 122.820 0.020 0.000 2.320 327 A HA 0.590 4.910 4.320 -0.001 0.000 0.287 327 A C -0.702 176.545 177.584 -0.563 0.000 1.181 327 A CA -0.729 51.097 52.037 -0.351 0.000 0.831 327 A CB 0.245 19.237 19.000 -0.012 0.000 1.102 327 A HN 0.887 nan 8.150 nan 0.000 0.513 328 W N 1.270 122.264 121.300 -0.511 0.000 2.804 328 W HA 0.673 5.332 4.660 -0.001 0.000 0.352 328 W C 0.272 176.611 176.519 -0.299 0.000 1.153 328 W CA -0.380 56.805 57.345 -0.266 0.000 1.119 328 W CB 1.668 31.050 29.460 -0.131 0.000 1.448 328 W HN 0.741 nan 8.180 nan 0.000 0.600 329 K N 0.153 120.677 120.400 0.207 0.000 2.568 329 K HA 0.465 4.785 4.320 -0.001 0.000 0.273 329 K C -1.305 175.401 176.600 0.175 0.000 0.951 329 K CA -0.904 55.445 56.287 0.103 0.000 0.854 329 K CB 1.157 33.681 32.500 0.039 0.000 1.424 329 K HN 0.220 nan 8.250 nan 0.000 0.427 330 I N 2.443 123.101 120.570 0.145 0.000 2.533 330 I HA 0.013 4.182 4.170 -0.001 0.000 0.284 330 I C 0.246 176.432 176.117 0.114 0.000 1.109 330 I CA -0.195 61.197 61.300 0.152 0.000 1.412 330 I CB 0.076 38.149 38.000 0.122 0.000 1.396 330 I HN 0.704 nan 8.210 nan 0.000 0.543 331 N N 6.841 125.618 118.700 0.129 0.000 2.498 331 N HA -0.013 4.726 4.740 -0.001 0.000 0.277 331 N C 1.124 176.664 175.510 0.051 0.000 1.208 331 N CA 0.272 53.379 53.050 0.095 0.000 1.029 331 N CB 0.287 38.861 38.487 0.145 0.000 1.403 331 N HN 0.455 nan 8.380 nan 0.000 0.500 332 K N 1.938 122.342 120.400 0.007 0.000 2.044 332 K HA -0.168 4.151 4.320 -0.001 0.000 0.210 332 K C 1.436 177.995 176.600 -0.068 0.000 1.049 332 K CA 1.306 57.582 56.287 -0.018 0.000 0.927 332 K CB 0.151 32.632 32.500 -0.032 0.000 0.713 332 K HN 0.438 nan 8.250 nan 0.000 0.443 333 K N 0.421 120.689 120.400 -0.219 0.000 2.160 333 K HA -0.147 4.172 4.320 -0.001 0.000 0.206 333 K C 1.965 178.480 176.600 -0.140 0.000 1.047 333 K CA 1.230 57.233 56.287 -0.473 0.000 0.930 333 K CB -0.031 31.660 32.500 -1.349 0.000 0.720 333 K HN 0.036 nan 8.250 nan 0.000 0.450 334 V N 1.766 121.740 119.914 0.101 0.000 2.535 334 V HA -0.154 3.966 4.120 -0.001 0.000 0.246 334 V C 2.180 178.428 176.094 0.256 0.000 1.045 334 V CA 0.837 63.336 62.300 0.332 0.000 1.058 334 V CB -0.305 31.737 31.823 0.365 0.000 0.689 334 V HN 0.352 nan 8.190 nan 0.000 0.461 335 L N 0.858 122.169 121.223 0.145 0.000 2.079 335 L HA -0.195 4.144 4.340 -0.001 0.000 0.210 335 L C 2.526 179.473 176.870 0.127 0.000 1.081 335 L CA 2.452 57.357 54.840 0.109 0.000 0.752 335 L CB -0.836 41.253 42.059 0.051 0.000 0.896 335 L HN 0.362 nan 8.230 nan 0.000 0.433 336 A N -0.198 122.689 122.820 0.112 0.000 1.873 336 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 336 A C 2.275 179.971 177.584 0.187 0.000 1.193 336 A CA 2.301 54.409 52.037 0.118 0.000 0.629 336 A CB -1.077 17.974 19.000 0.085 0.000 0.826 336 A HN 0.336 nan 8.150 nan 0.000 0.447 337 V N -0.243 119.817 119.914 0.244 0.000 2.287 337 V HA -0.272 3.847 4.120 -0.001 0.000 0.248 337 V C 3.053 179.379 176.094 0.386 0.000 1.053 337 V CA 2.170 64.656 62.300 0.311 0.000 1.027 337 V CB -1.246 30.735 31.823 0.263 0.000 0.646 337 V HN 0.654 nan 8.190 nan 0.000 0.447 338 A N -0.083 123.002 122.820 0.442 0.000 1.898 338 A HA -0.199 4.121 4.320 -0.001 0.000 0.216 338 A C 2.084 179.822 177.584 0.256 0.000 1.181 338 A CA 1.700 54.006 52.037 0.447 0.000 0.620 338 A CB -0.670 18.523 19.000 0.322 0.000 0.819 338 A HN 0.570 nan 8.150 nan 0.000 0.442 339 N N 0.231 119.037 118.700 0.178 0.000 2.137 339 N HA -0.142 4.597 4.740 -0.001 0.000 0.190 339 N C 1.711 177.301 175.510 0.133 0.000 1.017 339 N CA 1.692 54.809 53.050 0.111 0.000 0.859 339 N CB -0.354 38.181 38.487 0.080 0.000 1.002 339 N HN 0.318 nan 8.380 nan 0.000 0.428 340 V N 2.618 122.653 119.914 0.201 0.000 2.251 340 V HA -0.135 3.985 4.120 -0.001 0.000 0.237 340 V C 2.332 178.627 176.094 0.335 0.000 1.040 340 V CA 1.339 63.794 62.300 0.259 0.000 1.005 340 V CB -0.650 31.347 31.823 0.290 0.000 0.645 340 V HN 0.264 nan 8.190 nan 0.000 0.458 341 I N 0.952 121.743 120.570 0.369 0.000 2.657 341 I HA -0.200 3.970 4.170 -0.001 0.000 0.261 341 I C 2.322 178.624 176.117 0.309 0.000 1.212 341 I CA 1.970 63.500 61.300 0.384 0.000 1.453 341 I CB -1.426 36.765 38.000 0.318 0.000 1.092 341 I HN 0.546 nan 8.210 nan 0.000 0.452 342 T N 0.102 114.800 114.554 0.239 0.000 2.995 342 T HA -0.063 4.287 4.350 -0.001 0.000 0.269 342 T C 1.660 176.402 174.700 0.071 0.000 1.091 342 T CA 0.874 63.072 62.100 0.163 0.000 1.128 342 T CB -0.333 68.606 68.868 0.119 0.000 0.891 342 T HN 0.604 nan 8.240 nan 0.000 0.492 343 K N -0.579 119.808 120.400 -0.022 0.000 2.404 343 K HA 0.094 4.413 4.320 -0.001 0.000 0.194 343 K C 0.830 177.198 176.600 -0.386 0.000 1.023 343 K CA -0.162 55.989 56.287 -0.225 0.000 1.094 343 K CB -0.259 32.030 32.500 -0.352 0.000 0.841 343 K HN 0.546 nan 8.250 nan 0.000 0.523 344 W N 1.752 123.111 121.300 0.099 0.000 2.871 344 W HA 0.240 4.899 4.660 -0.001 0.000 0.267 344 W C 0.187 176.765 176.519 0.098 0.000 1.180 344 W CA -0.497 56.901 57.345 0.087 0.000 1.463 344 W CB 0.893 30.395 29.460 0.071 0.000 0.966 344 W HN -0.214 nan 8.180 nan 0.000 0.605 345 K N -0.226 120.358 120.400 0.307 0.000 2.371 345 K HA 0.240 4.560 4.320 -0.001 0.000 0.251 345 K C -0.258 176.514 176.600 0.286 0.000 0.934 345 K CA -0.856 55.580 56.287 0.249 0.000 0.798 345 K CB 2.145 34.762 32.500 0.194 0.000 1.204 345 K HN -0.241 nan 8.250 nan 0.000 0.427 346 H N 0.236 119.355 119.070 0.082 0.000 2.321 346 H HA -0.083 4.473 4.556 -0.001 0.000 0.300 346 H C 0.381 175.755 175.328 0.076 0.000 1.087 346 H CA 0.579 56.666 56.048 0.064 0.000 1.319 346 H CB 0.290 30.082 29.762 0.050 0.000 1.379 346 H HN 0.443 nan 8.280 nan 0.000 0.501 347 C N 2.241 121.670 119.300 0.214 0.000 2.335 347 C HA 0.294 4.753 4.460 -0.001 0.000 0.318 347 C C -1.417 173.668 174.990 0.157 0.000 1.150 347 C CA -2.039 57.076 59.018 0.162 0.000 1.466 347 C CB 0.183 28.000 27.740 0.128 0.000 2.024 347 C HN 0.221 nan 8.230 nan 0.000 0.429 348 P HA -0.144 nan 4.420 nan 0.000 0.219 348 P C 0.359 177.708 177.300 0.081 0.000 1.147 348 P CA 1.498 64.709 63.100 0.185 0.000 0.821 348 P CB 0.080 31.974 31.700 0.322 0.000 0.771 349 V N -1.240 118.722 119.914 0.081 0.000 2.575 349 V HA 0.191 4.310 4.120 -0.001 0.000 0.281 349 V C 0.884 176.986 176.094 0.014 0.000 1.087 349 V CA -0.127 62.174 62.300 0.001 0.000 1.193 349 V CB 0.743 32.556 31.823 -0.016 0.000 1.426 349 V HN -0.067 nan 8.190 nan 0.000 0.623 350 E N 0.735 120.951 120.200 0.026 0.000 2.399 350 E HA 0.208 4.557 4.350 -0.001 0.000 0.205 350 E C -0.172 176.431 176.600 0.005 0.000 0.906 350 E CA 0.451 56.865 56.400 0.024 0.000 0.998 350 E CB 0.933 30.660 29.700 0.046 0.000 1.002 350 E HN 0.474 nan 8.360 nan 0.000 0.501 351 D N 0.269 120.668 120.400 -0.002 0.000 2.381 351 D HA 0.331 4.970 4.640 -0.001 0.000 0.245 351 D C -0.956 175.329 176.300 -0.024 0.000 1.297 351 D CA -0.093 53.901 54.000 -0.011 0.000 0.931 351 D CB 0.542 41.341 40.800 -0.001 0.000 1.334 351 D HN -0.057 nan 8.370 nan 0.000 0.535 352 I N 2.013 122.557 120.570 -0.043 0.000 2.404 352 I HA 0.322 4.491 4.170 -0.001 0.000 0.293 352 I C -1.817 174.272 176.117 -0.047 0.000 0.992 352 I CA -2.114 59.151 61.300 -0.057 0.000 1.149 352 I CB 1.770 39.711 38.000 -0.099 0.000 1.315 352 I HN -0.013 nan 8.210 nan 0.000 0.446 353 P HA -0.021 nan 4.420 nan 0.000 0.245 353 P C -0.862 176.421 177.300 -0.028 0.000 1.123 353 P CA 0.377 63.458 63.100 -0.031 0.000 0.853 353 P CB 0.067 31.747 31.700 -0.032 0.000 0.786 354 A N 4.014 126.821 122.820 -0.022 0.000 2.355 354 A HA 0.642 4.961 4.320 -0.001 0.000 0.317 354 A C 0.064 177.642 177.584 -0.010 0.000 1.094 354 A CA -0.805 51.223 52.037 -0.015 0.000 0.764 354 A CB 0.882 19.872 19.000 -0.017 0.000 1.230 354 A HN 0.406 nan 8.150 nan 0.000 0.448 373 A N 1.404 124.148 122.820 -0.126 0.000 2.054 373 A HA 0.132 4.452 4.320 -0.001 0.000 0.221 373 A C 1.764 179.247 177.584 -0.168 0.000 1.587 373 A CA 0.599 52.541 52.037 -0.158 0.000 0.664 373 A CB -0.485 18.552 19.000 0.062 0.000 1.248 373 A HN 0.324 nan 8.150 nan 0.000 0.527 374 L N 0.693 121.935 121.223 0.032 0.000 2.043 374 L HA -0.140 4.199 4.340 -0.001 0.000 0.212 374 L C 1.810 178.687 176.870 0.012 0.000 1.075 374 L CA 2.905 57.800 54.840 0.091 0.000 0.752 374 L CB -1.015 41.090 42.059 0.077 0.000 0.891 374 L HN 0.361 nan 8.230 nan 0.000 0.432 375 T N -0.443 114.084 114.554 -0.044 0.000 3.400 375 T HA 0.233 4.583 4.350 -0.001 0.000 0.254 375 T C 1.244 175.875 174.700 -0.115 0.000 1.153 375 T CA 0.669 62.736 62.100 -0.054 0.000 1.012 375 T CB -0.339 68.500 68.868 -0.048 0.000 0.994 375 T HN 0.573 nan 8.240 nan 0.000 0.555 376 A N -0.616 122.076 122.820 -0.212 0.000 1.933 376 A HA 0.358 4.678 4.320 -0.001 0.000 0.198 376 A C 1.544 178.963 177.584 -0.275 0.000 1.617 376 A CA -0.435 51.392 52.037 -0.350 0.000 1.039 376 A CB -0.406 18.203 19.000 -0.652 0.000 1.066 376 A HN 0.566 nan 8.150 nan 0.000 0.484 377 W N 0.461 121.768 121.300 0.011 0.000 2.441 377 W HA 0.079 4.739 4.660 -0.001 0.000 0.302 377 W C 2.058 178.584 176.519 0.012 0.000 1.191 377 W CA 1.079 58.430 57.345 0.011 0.000 1.327 377 W CB 0.066 29.529 29.460 0.006 0.000 1.128 377 W HN 0.123 nan 8.180 nan 0.000 0.522 378 K N 1.030 121.565 120.400 0.225 0.000 2.209 378 K HA -0.156 4.163 4.320 -0.001 0.000 0.204 378 K C 1.907 178.563 176.600 0.094 0.000 1.048 378 K CA 1.218 57.584 56.287 0.132 0.000 0.940 378 K CB -0.233 32.321 32.500 0.090 0.000 0.729 378 K HN -0.057 nan 8.250 nan 0.000 0.451 379 R N -0.390 120.150 120.500 0.067 0.000 2.070 379 R HA -0.067 4.272 4.340 -0.001 0.000 0.233 379 R C 2.006 178.347 176.300 0.068 0.000 1.137 379 R CA 1.653 57.778 56.100 0.043 0.000 0.945 379 R CB -0.466 29.831 30.300 -0.004 0.000 0.845 379 R HN 0.188 nan 8.270 nan 0.000 0.430 380 A N 0.488 123.365 122.820 0.095 0.000 1.972 380 A HA -0.059 4.261 4.320 -0.001 0.000 0.219 380 A C 2.333 179.987 177.584 0.116 0.000 1.169 380 A CA 1.573 53.677 52.037 0.112 0.000 0.635 380 A CB -0.830 18.268 19.000 0.163 0.000 0.810 380 A HN 0.566 nan 8.150 nan 0.000 0.446 381 A N 0.171 123.066 122.820 0.125 0.000 1.865 381 A HA 0.087 4.406 4.320 -0.001 0.000 0.217 381 A C 2.514 180.166 177.584 0.113 0.000 1.191 381 A CA 2.282 54.383 52.037 0.106 0.000 0.623 381 A CB -1.185 17.870 19.000 0.091 0.000 0.826 381 A HN 1.172 nan 8.150 nan 0.000 0.444 382 A N -0.563 122.323 122.820 0.110 0.000 2.076 382 A HA 0.164 4.484 4.320 -0.001 0.000 0.220 382 A C 2.371 180.039 177.584 0.140 0.000 1.160 382 A CA 2.043 54.162 52.037 0.137 0.000 0.653 382 A CB -0.775 18.286 19.000 0.102 0.000 0.801 382 A HN 1.036 nan 8.150 nan 0.000 0.455 383 A N -0.412 122.471 122.820 0.105 0.000 1.874 383 A HA 0.085 4.405 4.320 -0.001 0.000 0.214 383 A C 2.152 179.793 177.584 0.094 0.000 1.189 383 A CA 1.468 53.554 52.037 0.082 0.000 0.615 383 A CB -0.907 18.133 19.000 0.066 0.000 0.830 383 A HN 0.494 nan 8.150 nan 0.000 0.443 384 V N -1.082 118.899 119.914 0.112 0.000 2.380 384 V HA -0.347 3.772 4.120 -0.001 0.000 0.251 384 V C 2.341 178.534 176.094 0.164 0.000 1.063 384 V CA 2.180 64.549 62.300 0.114 0.000 1.055 384 V CB -1.374 30.513 31.823 0.107 0.000 0.657 384 V HN 0.693 nan 8.190 nan 0.000 0.455 385 Y N 1.088 121.407 120.300 0.032 0.000 2.133 385 Y HA -0.248 4.301 4.550 -0.001 0.000 0.287 385 Y C 3.027 178.944 175.900 0.029 0.000 1.134 385 Y CA 2.026 60.145 58.100 0.030 0.000 1.133 385 Y CB -0.058 38.420 38.460 0.031 0.000 0.987 385 Y HN 0.044 nan 8.280 nan 0.000 0.502 386 R N 1.133 121.604 120.500 -0.047 0.000 2.083 386 R HA -0.242 4.097 4.340 -0.001 0.000 0.237 386 R C 2.429 178.668 176.300 -0.102 0.000 1.137 386 R CA 2.105 58.111 56.100 -0.157 0.000 0.951 386 R CB -0.369 29.900 30.300 -0.051 0.000 0.851 386 R HN 0.310 nan 8.270 nan 0.000 0.434 387 K N 0.408 120.795 120.400 -0.021 0.000 2.063 387 K HA -0.216 4.103 4.320 -0.001 0.000 0.208 387 K C 1.934 178.532 176.600 -0.003 0.000 1.048 387 K CA 2.059 58.345 56.287 -0.001 0.000 0.928 387 K CB -0.342 32.175 32.500 0.028 0.000 0.713 387 K HN 0.308 nan 8.250 nan 0.000 0.442 388 D N 0.716 121.121 120.400 0.008 0.000 2.144 388 D HA -0.207 4.433 4.640 -0.001 0.000 0.200 388 D C 1.815 178.103 176.300 -0.019 0.000 0.978 388 D CA 1.105 55.119 54.000 0.024 0.000 0.833 388 D CB 0.057 40.902 40.800 0.075 0.000 0.961 388 D HN 0.199 nan 8.370 nan 0.000 0.470 389 K N 0.345 120.673 120.400 -0.120 0.000 2.057 389 K HA -0.134 4.186 4.320 -0.001 0.000 0.207 389 K C 2.165 178.717 176.600 -0.081 0.000 1.049 389 K CA 1.162 57.358 56.287 -0.152 0.000 0.931 389 K CB -0.130 32.174 32.500 -0.327 0.000 0.714 389 K HN 0.111 nan 8.250 nan 0.000 0.440 390 A N 1.499 124.279 122.820 -0.067 0.000 1.877 390 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 390 A C 2.135 179.719 177.584 -0.001 0.000 1.186 390 A CA 1.553 53.571 52.037 -0.032 0.000 0.620 390 A CB -0.601 18.385 19.000 -0.022 0.000 0.822 390 A HN 0.366 nan 8.150 nan 0.000 0.443 391 R N -0.198 120.314 120.500 0.019 0.000 2.159 391 R HA -0.141 4.199 4.340 -0.001 0.000 0.237 391 R C 1.920 178.257 176.300 0.061 0.000 1.131 391 R CA 1.708 57.842 56.100 0.058 0.000 0.982 391 R CB -0.150 30.201 30.300 0.084 0.000 0.868 391 R HN 0.557 nan 8.270 nan 0.000 0.453 392 K N -0.760 119.662 120.400 0.035 0.000 2.098 392 K HA 0.016 4.336 4.320 -0.001 0.000 0.203 392 K C 2.080 178.678 176.600 -0.003 0.000 1.051 392 K CA 1.408 57.708 56.287 0.021 0.000 0.957 392 K CB 0.166 32.676 32.500 0.016 0.000 0.738 392 K HN 0.103 nan 8.250 nan 0.000 0.447 393 S N 1.439 117.132 115.700 -0.011 0.000 2.368 393 S HA -0.076 4.393 4.470 -0.001 0.000 0.224 393 S C 1.841 176.436 174.600 -0.008 0.000 1.029 393 S CA 0.886 59.076 58.200 -0.017 0.000 0.988 393 S CB -0.206 62.979 63.200 -0.026 0.000 0.838 393 S HN 0.262 nan 8.310 nan 0.000 0.462 394 R N 1.049 121.551 120.500 0.003 0.000 2.096 394 R HA 0.006 4.346 4.340 -0.001 0.000 0.235 394 R C 2.520 178.829 176.300 0.015 0.000 1.127 394 R CA 1.245 57.354 56.100 0.015 0.000 0.968 394 R CB -0.318 30.000 30.300 0.029 0.000 0.861 394 R HN 0.231 nan 8.270 nan 0.000 0.440 395 R N 1.357 121.857 120.500 -0.000 0.000 2.092 395 R HA -0.059 4.281 4.340 -0.001 0.000 0.231 395 R C 2.106 178.392 176.300 -0.023 0.000 1.119 395 R CA 1.161 57.241 56.100 -0.034 0.000 0.970 395 R CB -0.447 29.785 30.300 -0.114 0.000 0.864 395 R HN 0.075 nan 8.270 nan 0.000 0.440 396 I N 0.332 120.893 120.570 -0.014 0.000 2.118 396 I HA -0.290 3.880 4.170 -0.001 0.000 0.241 396 I C 2.329 178.471 176.117 0.042 0.000 1.070 396 I CA 1.990 63.291 61.300 0.003 0.000 1.327 396 I CB -1.506 36.490 38.000 -0.008 0.000 1.034 396 I HN 0.339 nan 8.210 nan 0.000 0.405 397 S N 0.807 116.527 115.700 0.032 0.000 2.356 397 S HA -0.196 4.274 4.470 -0.001 0.000 0.223 397 S C 2.223 176.892 174.600 0.115 0.000 1.032 397 S CA 1.382 59.620 58.200 0.063 0.000 1.005 397 S CB -0.498 62.717 63.200 0.026 0.000 0.867 397 S HN 0.422 nan 8.310 nan 0.000 0.449 398 L N 1.182 122.444 121.223 0.065 0.000 2.042 398 L HA -0.139 4.201 4.340 -0.001 0.000 0.210 398 L C 2.550 179.447 176.870 0.046 0.000 1.076 398 L CA 2.092 56.963 54.840 0.053 0.000 0.749 398 L CB -0.497 41.582 42.059 0.033 0.000 0.893 398 L HN 0.434 nan 8.230 nan 0.000 0.432 399 E N -0.801 119.422 120.200 0.038 0.000 2.077 399 E HA -0.281 4.069 4.350 -0.001 0.000 0.193 399 E C 1.948 178.565 176.600 0.029 0.000 0.989 399 E CA 1.618 58.026 56.400 0.013 0.000 0.800 399 E CB -0.288 29.412 29.700 0.000 0.000 0.746 399 E HN 0.557 nan 8.360 nan 0.000 0.452 400 F N 1.566 121.493 119.950 -0.038 0.000 2.051 400 F HA -0.263 4.264 4.527 -0.001 0.000 0.296 400 F C 2.226 177.997 175.800 -0.048 0.000 1.122 400 F CA 1.452 59.432 58.000 -0.033 0.000 1.201 400 F CB -0.076 38.920 39.000 -0.007 0.000 0.978 400 F HN -0.081 nan 8.300 nan 0.000 0.472 401 M N 0.251 119.943 119.600 0.153 0.000 2.080 401 M HA -0.245 4.234 4.480 -0.001 0.000 0.260 401 M C 2.465 178.602 176.300 -0.272 0.000 1.068 401 M CA 1.552 56.860 55.300 0.012 0.000 1.109 401 M CB -1.737 31.002 32.600 0.230 0.000 1.342 401 M HN 0.338 nan 8.290 nan 0.000 0.405 402 L N 0.032 121.156 121.223 -0.165 0.000 2.042 402 L HA -0.258 4.082 4.340 -0.001 0.000 0.210 402 L C 2.629 179.348 176.870 -0.252 0.000 1.076 402 L CA 1.770 56.502 54.840 -0.181 0.000 0.749 402 L CB -0.454 41.546 42.059 -0.098 0.000 0.893 402 L HN 0.454 nan 8.230 nan 0.000 0.432 403 E N -0.525 119.507 120.200 -0.280 0.000 2.051 403 E HA -0.326 4.024 4.350 -0.001 0.000 0.192 403 E C 2.133 178.488 176.600 -0.408 0.000 0.991 403 E CA 1.470 57.686 56.400 -0.307 0.000 0.799 403 E CB -0.005 29.511 29.700 -0.307 0.000 0.748 403 E HN 0.333 nan 8.360 nan 0.000 0.449 404 Q N 0.355 119.800 119.800 -0.593 0.000 2.124 404 Q HA -0.098 4.242 4.340 -0.001 0.000 0.202 404 Q C 1.838 177.479 176.000 -0.597 0.000 0.977 404 Q CA 1.849 57.284 55.803 -0.613 0.000 0.850 404 Q CB -0.431 27.840 28.738 -0.778 0.000 0.901 404 Q HN 0.422 nan 8.270 nan 0.000 0.429 405 A N 0.526 122.922 122.820 -0.706 0.000 1.845 405 A HA -0.209 4.110 4.320 -0.001 0.000 0.215 405 A C 1.909 179.352 177.584 -0.234 0.000 1.195 405 A CA 1.692 53.419 52.037 -0.517 0.000 0.616 405 A CB -0.783 18.001 19.000 -0.359 0.000 0.832 405 A HN 0.418 nan 8.150 nan 0.000 0.443 406 N N -0.204 118.368 118.700 -0.214 0.000 2.205 406 N HA -0.179 4.560 4.740 -0.001 0.000 0.186 406 N C 1.675 177.081 175.510 -0.174 0.000 1.015 406 N CA 1.592 54.555 53.050 -0.146 0.000 0.862 406 N CB -0.315 38.093 38.487 -0.132 0.000 0.986 406 N HN 0.661 nan 8.380 nan 0.000 0.429 407 K N -0.102 120.131 120.400 -0.278 0.000 2.103 407 K HA -0.087 4.233 4.320 -0.001 0.000 0.207 407 K C 0.628 176.911 176.600 -0.527 0.000 1.048 407 K CA 1.241 57.265 56.287 -0.439 0.000 0.930 407 K CB -0.047 32.077 32.500 -0.628 0.000 0.716 407 K HN 0.047 nan 8.250 nan 0.000 0.444 408 F N -0.391 119.489 119.950 -0.117 0.000 2.639 408 F HA 0.345 4.871 4.527 -0.001 0.000 0.302 408 F C 1.515 177.340 175.800 0.042 0.000 1.097 408 F CA -0.098 57.863 58.000 -0.064 0.000 1.294 408 F CB 0.293 39.160 39.000 -0.221 0.000 1.027 408 F HN 0.012 nan 8.300 nan 0.000 0.550 409 A N 0.550 123.435 122.820 0.108 0.000 1.997 409 A HA -0.271 4.049 4.320 -0.001 0.000 0.221 409 A C 1.763 179.408 177.584 0.102 0.000 1.172 409 A CA 2.342 54.426 52.037 0.079 0.000 0.645 409 A CB -0.744 18.265 19.000 0.015 0.000 0.813 409 A HN 0.527 nan 8.150 nan 0.000 0.454 410 N N -1.995 116.783 118.700 0.130 0.000 2.236 410 N HA 0.110 4.850 4.740 -0.001 0.000 0.196 410 N C -0.363 175.195 175.510 0.080 0.000 1.114 410 N CA -0.224 52.867 53.050 0.069 0.000 0.859 410 N CB 0.166 38.649 38.487 -0.007 0.000 0.982 410 N HN 0.535 nan 8.380 nan 0.000 0.493 411 H N 0.689 119.801 119.070 0.071 0.000 2.790 411 H HA 0.088 4.643 4.556 -0.001 0.000 0.358 411 H C 0.896 176.233 175.328 0.015 0.000 1.103 411 H CA 0.455 56.544 56.048 0.068 0.000 1.426 411 H CB 0.991 30.835 29.762 0.136 0.000 1.424 411 H HN -0.107 nan 8.280 nan 0.000 0.599 412 K N 0.918 121.372 120.400 0.090 0.000 2.439 412 K HA 0.221 4.540 4.320 -0.001 0.000 0.197 412 K C -0.477 176.109 176.600 -0.023 0.000 1.041 412 K CA 0.719 57.026 56.287 0.033 0.000 0.970 412 K CB 0.392 32.911 32.500 0.032 0.000 0.773 412 K HN 0.690 nan 8.250 nan 0.000 0.479 413 A N 0.505 123.284 122.820 -0.068 0.000 2.571 413 A HA 0.447 4.766 4.320 -0.001 0.000 0.296 413 A C -1.530 175.731 177.584 -0.538 0.000 1.005 413 A CA -1.010 50.822 52.037 -0.340 0.000 0.682 413 A CB 0.558 19.272 19.000 -0.476 0.000 1.292 413 A HN 0.203 nan 8.150 nan 0.000 0.420 414 I N -2.700 117.395 120.570 -0.792 0.000 2.894 414 I HA 0.905 5.075 4.170 -0.001 0.000 0.302 414 I C -1.099 174.386 176.117 -1.053 0.000 1.188 414 I CA -0.960 59.853 61.300 -0.811 0.000 1.014 414 I CB 2.103 39.683 38.000 -0.701 0.000 1.242 414 I HN 0.689 nan 8.210 nan 0.000 0.430 415 W N 2.273 123.328 121.300 -0.408 0.000 2.902 415 W HA 0.597 5.256 4.660 -0.001 0.000 0.346 415 W C -1.711 174.491 176.519 -0.528 0.000 1.139 415 W CA -0.573 56.592 57.345 -0.301 0.000 1.139 415 W CB 2.123 31.554 29.460 -0.048 0.000 1.439 415 W HN 0.299 nan 8.180 nan 0.000 0.558 416 F N 1.820 122.005 119.950 0.391 0.000 2.507 416 F HA 0.364 4.891 4.527 -0.001 0.000 0.328 416 F C -1.931 173.877 175.800 0.013 0.000 1.136 416 F CA -2.617 55.433 58.000 0.083 0.000 0.930 416 F CB 1.043 39.964 39.000 -0.133 0.000 1.166 416 F HN -0.283 nan 8.300 nan 0.000 0.436 417 P HA 0.154 nan 4.420 nan 0.000 0.272 417 P C -1.359 175.887 177.300 -0.091 0.000 1.230 417 P CA -0.021 63.062 63.100 -0.029 0.000 0.788 417 P CB 0.865 32.321 31.700 -0.408 0.000 0.949 418 Y N -0.393 120.007 120.300 0.167 0.000 2.512 418 Y HA 0.412 4.962 4.550 -0.001 0.000 0.348 418 Y C 0.795 176.750 175.900 0.092 0.000 0.990 418 Y CA -0.306 57.874 58.100 0.134 0.000 1.033 418 Y CB 2.109 40.633 38.460 0.108 0.000 1.259 418 Y HN 0.345 nan 8.280 nan 0.000 0.461 419 N N 1.038 119.829 118.700 0.153 0.000 3.091 419 N HA 0.746 5.486 4.740 -0.001 0.000 0.329 419 N C -1.631 173.857 175.510 -0.036 0.000 1.430 419 N CA -1.050 51.961 53.050 -0.066 0.000 0.755 419 N CB 2.038 40.482 38.487 -0.072 0.000 1.626 419 N HN 0.385 nan 8.380 nan 0.000 0.614 420 M N 0.827 120.343 119.600 -0.141 0.000 2.484 420 M HA 0.245 4.724 4.480 -0.001 0.000 0.289 420 M C -1.677 174.529 176.300 -0.157 0.000 1.206 420 M CA -0.934 54.296 55.300 -0.118 0.000 0.892 420 M CB 2.324 34.724 32.600 -0.333 0.000 1.712 420 M HN 0.600 nan 8.290 nan 0.000 0.462 421 D N 0.168 120.475 120.400 -0.155 0.000 2.411 421 D HA 0.052 4.691 4.640 -0.001 0.000 0.251 421 D C 0.770 177.025 176.300 -0.075 0.000 1.201 421 D CA -0.462 53.397 54.000 -0.235 0.000 0.996 421 D CB 0.220 40.791 40.800 -0.382 0.000 1.101 421 D HN 0.798 nan 8.370 nan 0.000 0.504 422 W N 0.092 121.338 121.300 -0.091 0.000 2.560 422 W HA -0.088 4.572 4.660 -0.000 0.000 0.252 422 W C 0.908 177.501 176.519 0.124 0.000 1.242 422 W CA 0.427 57.788 57.345 0.026 0.000 1.242 422 W CB -0.432 29.031 29.460 0.005 0.000 1.136 422 W HN 0.248 nan 8.180 nan 0.000 0.625 423 R N 0.116 120.505 120.500 -0.186 0.000 2.334 423 R HA 0.335 4.674 4.340 -0.001 0.000 0.212 423 R C 1.815 178.051 176.300 -0.106 0.000 0.897 423 R CA 0.751 56.784 56.100 -0.111 0.000 1.056 423 R CB 0.234 30.330 30.300 -0.340 0.000 1.046 423 R HN 0.237 nan 8.270 nan 0.000 0.513 424 G N 0.697 109.286 108.800 -0.352 0.000 2.184 424 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.206 424 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.206 424 G C 0.006 174.618 174.900 -0.479 0.000 0.995 424 G CA -0.523 44.069 45.100 -0.848 0.000 0.651 424 G HN 0.187 nan 8.290 nan 0.000 0.511 425 R N 0.286 120.629 120.500 -0.261 0.000 2.543 425 R HA 0.456 4.795 4.340 -0.001 0.000 0.277 425 R C 0.466 176.678 176.300 -0.147 0.000 1.074 425 R CA -0.086 55.859 56.100 -0.259 0.000 1.076 425 R CB 1.001 31.097 30.300 -0.340 0.000 0.993 425 R HN 0.100 nan 8.270 nan 0.000 0.459 426 V N 4.754 124.527 119.914 -0.236 0.000 2.461 426 V HA 0.192 4.312 4.120 -0.001 0.000 0.275 426 V C -0.704 175.342 176.094 -0.080 0.000 1.047 426 V CA -0.277 61.989 62.300 -0.057 0.000 0.955 426 V CB 0.438 32.225 31.823 -0.059 0.000 0.988 426 V HN 0.552 nan 8.190 nan 0.000 0.471 427 Y N 2.157 122.541 120.300 0.139 0.000 2.376 427 Y HA 0.691 5.241 4.550 -0.001 0.000 0.340 427 Y C 0.487 176.387 175.900 0.000 0.000 0.965 427 Y CA -0.767 57.403 58.100 0.117 0.000 1.078 427 Y CB 1.763 40.238 38.460 0.025 0.000 1.193 427 Y HN 0.763 nan 8.280 nan 0.000 0.452 428 A N 2.128 124.879 122.820 -0.115 0.000 2.425 428 A HA 0.395 4.715 4.320 -0.001 0.000 0.249 428 A C 0.710 178.145 177.584 -0.249 0.000 1.084 428 A CA -0.280 51.392 52.037 -0.607 0.000 0.781 428 A CB 0.305 18.874 19.000 -0.717 0.000 1.019 428 A HN 0.766 nan 8.150 nan 0.000 0.490 429 V N 2.041 121.817 119.914 -0.229 0.000 2.446 429 V HA -0.070 4.050 4.120 -0.001 0.000 0.244 429 V C 1.476 177.633 176.094 0.104 0.000 1.039 429 V CA 1.738 64.003 62.300 -0.059 0.000 1.045 429 V CB -0.828 30.875 31.823 -0.200 0.000 0.681 429 V HN 0.945 nan 8.190 nan 0.000 0.459 430 S N 0.489 116.282 115.700 0.155 0.000 2.562 430 S HA 0.186 4.656 4.470 -0.001 0.000 0.281 430 S C 1.022 175.734 174.600 0.187 0.000 1.333 430 S CA -0.265 58.115 58.200 0.299 0.000 1.052 430 S CB 0.825 64.268 63.200 0.405 0.000 0.884 430 S HN 0.312 nan 8.310 nan 0.000 0.506 431 M N 0.716 120.470 119.600 0.256 0.000 2.108 431 M HA -0.081 4.398 4.480 -0.001 0.000 0.257 431 M C 0.614 177.067 176.300 0.256 0.000 1.071 431 M CA 1.605 57.014 55.300 0.181 0.000 1.093 431 M CB -0.432 32.243 32.600 0.125 0.000 1.345 431 M HN 0.726 nan 8.290 nan 0.000 0.403 432 F N 3.103 123.201 119.950 0.246 0.000 2.375 432 F HA 0.324 4.851 4.527 -0.001 0.000 0.362 432 F C -0.088 175.637 175.800 -0.124 0.000 1.129 432 F CA -1.199 56.882 58.000 0.135 0.000 1.154 432 F CB -0.078 39.031 39.000 0.182 0.000 1.205 432 F HN 0.161 nan 8.300 nan 0.000 0.513 433 N N 4.612 122.773 118.700 -0.899 0.000 2.732 433 N HA 0.529 5.269 4.740 -0.001 0.000 0.259 433 N C -2.854 171.921 175.510 -1.225 0.000 1.402 433 N CA -2.043 50.149 53.050 -1.429 0.000 0.829 433 N CB 1.379 39.247 38.487 -1.032 0.000 1.495 433 N HN 0.036 nan 8.380 nan 0.000 0.511 434 P HA -0.105 nan 4.420 nan 0.000 0.223 434 P C 0.066 177.065 177.300 -0.501 0.000 1.144 434 P CA 1.246 63.812 63.100 -0.889 0.000 0.783 434 P CB 0.120 31.247 31.700 -0.955 0.000 0.771 435 Q N -0.718 118.810 119.800 -0.455 0.000 2.253 435 Q HA 0.192 4.532 4.340 -0.001 0.000 0.210 435 Q C 1.299 177.140 176.000 -0.266 0.000 0.907 435 Q CA -0.326 55.286 55.803 -0.319 0.000 0.948 435 Q CB -0.065 28.491 28.738 -0.303 0.000 1.033 435 Q HN 0.210 nan 8.270 nan 0.000 0.471 436 G N 1.321 109.950 108.800 -0.285 0.000 2.679 436 G HA2 0.036 3.996 3.960 -0.001 0.000 0.202 436 G HA3 0.036 3.996 3.960 -0.001 0.000 0.202 436 G C 0.097 174.925 174.900 -0.120 0.000 1.566 436 G CA -0.475 44.511 45.100 -0.190 0.000 1.074 436 G HN 0.413 nan 8.290 nan 0.000 0.564 437 N N -1.188 117.469 118.700 -0.071 0.000 2.741 437 N HA 0.186 4.925 4.740 -0.001 0.000 0.310 437 N C 0.483 175.992 175.510 -0.001 0.000 1.295 437 N CA -0.104 52.931 53.050 -0.026 0.000 0.893 437 N CB 1.608 40.095 38.487 0.001 0.000 1.247 437 N HN 0.354 nan 8.380 nan 0.000 0.596 438 D N 0.300 120.732 120.400 0.052 0.000 2.160 438 D HA -0.279 4.360 4.640 -0.001 0.000 0.189 438 D C 1.910 178.276 176.300 0.111 0.000 1.003 438 D CA 2.070 56.146 54.000 0.126 0.000 0.846 438 D CB 0.016 40.944 40.800 0.212 0.000 0.949 438 D HN 0.550 nan 8.370 nan 0.000 0.446 439 M N -0.558 119.039 119.600 -0.004 0.000 2.067 439 M HA -0.177 4.303 4.480 -0.001 0.000 0.260 439 M C 2.095 178.270 176.300 -0.208 0.000 1.069 439 M CA 1.764 56.824 55.300 -0.401 0.000 1.117 439 M CB -0.327 31.963 32.600 -0.516 0.000 1.334 439 M HN 0.074 nan 8.290 nan 0.000 0.407 440 T N 1.202 115.715 114.554 -0.067 0.000 2.607 440 T HA -0.191 4.159 4.350 -0.001 0.000 0.267 440 T C 1.661 176.331 174.700 -0.049 0.000 1.049 440 T CA 1.875 63.987 62.100 0.020 0.000 1.162 440 T CB -0.237 68.617 68.868 -0.023 0.000 0.863 440 T HN 0.429 nan 8.240 nan 0.000 0.424 441 K N 0.443 120.793 120.400 -0.082 0.000 2.063 441 K HA -0.070 4.249 4.320 -0.001 0.000 0.208 441 K C 2.598 179.222 176.600 0.040 0.000 1.048 441 K CA 1.344 57.588 56.287 -0.072 0.000 0.928 441 K CB -0.647 31.831 32.500 -0.037 0.000 0.713 441 K HN 0.412 nan 8.250 nan 0.000 0.442 442 G N 1.652 110.511 108.800 0.100 0.000 2.450 442 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.220 442 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.220 442 G C 1.440 176.440 174.900 0.167 0.000 1.130 442 G CA 0.600 45.818 45.100 0.196 0.000 0.760 442 G HN 0.132 nan 8.290 nan 0.000 0.557 443 L N -0.336 120.948 121.223 0.101 0.000 2.478 443 L HA 0.294 4.633 4.340 -0.001 0.000 0.223 443 L C 0.644 177.627 176.870 0.189 0.000 1.140 443 L CA -0.058 54.867 54.840 0.141 0.000 0.842 443 L CB -0.027 42.111 42.059 0.132 0.000 0.953 443 L HN 0.082 nan 8.230 nan 0.000 0.452 444 L N -1.209 120.097 121.223 0.139 0.000 2.325 444 L HA 0.522 4.862 4.340 -0.001 0.000 0.278 444 L C -0.068 176.951 176.870 0.249 0.000 1.023 444 L CA -0.115 54.801 54.840 0.127 0.000 0.811 444 L CB 1.924 43.855 42.059 -0.214 0.000 1.249 444 L HN -0.220 nan 8.230 nan 0.000 0.431 445 T N 2.200 117.004 114.554 0.417 0.000 2.853 445 T HA 0.509 4.858 4.350 -0.001 0.000 0.311 445 T C -0.801 174.156 174.700 0.429 0.000 1.307 445 T CA -0.595 61.761 62.100 0.426 0.000 1.019 445 T CB 1.084 70.080 68.868 0.214 0.000 1.264 445 T HN 0.308 nan 8.240 nan 0.000 0.497 446 L N 2.943 124.226 121.223 0.101 0.000 2.456 446 L HA 0.386 4.726 4.340 -0.001 0.000 0.272 446 L C 1.749 178.548 176.870 -0.118 0.000 1.189 446 L CA -0.322 54.379 54.840 -0.232 0.000 0.846 446 L CB 0.539 42.399 42.059 -0.331 0.000 1.111 446 L HN 0.908 nan 8.230 nan 0.000 0.475 447 A N 3.638 126.357 122.820 -0.169 0.000 1.930 447 A HA -0.022 4.297 4.320 -0.001 0.000 0.215 447 A C 0.779 178.306 177.584 -0.095 0.000 1.176 447 A CA 0.737 52.707 52.037 -0.112 0.000 0.632 447 A CB -0.091 18.820 19.000 -0.149 0.000 0.819 447 A HN 0.750 nan 8.150 nan 0.000 0.445 448 K N 0.611 120.946 120.400 -0.109 0.000 2.347 448 K HA 0.537 4.857 4.320 -0.001 0.000 0.262 448 K C 0.115 176.657 176.600 -0.098 0.000 1.052 448 K CA -0.120 56.119 56.287 -0.079 0.000 0.946 448 K CB 1.212 33.685 32.500 -0.045 0.000 1.220 448 K HN 0.158 nan 8.250 nan 0.000 0.450 449 G N 2.539 111.279 108.800 -0.100 0.000 2.557 449 G HA2 0.511 4.471 3.960 -0.001 0.000 0.302 449 G HA3 0.511 4.471 3.960 -0.001 0.000 0.302 449 G C -0.862 173.979 174.900 -0.099 0.000 1.311 449 G CA -0.712 44.320 45.100 -0.113 0.000 1.030 449 G HN 0.471 nan 8.290 nan 0.000 0.509 450 K N -0.571 119.769 120.400 -0.100 0.000 2.495 450 K HA 0.387 4.706 4.320 -0.001 0.000 0.268 450 K C -2.893 173.657 176.600 -0.084 0.000 1.008 450 K CA -1.667 54.575 56.287 -0.075 0.000 0.882 450 K CB 2.558 35.033 32.500 -0.042 0.000 1.443 450 K HN 0.132 nan 8.250 nan 0.000 0.447 451 P HA 0.038 nan 4.420 nan 0.000 0.263 451 P C 0.319 177.614 177.300 -0.008 0.000 1.195 451 P CA 0.232 63.306 63.100 -0.044 0.000 0.762 451 P CB 0.376 32.067 31.700 -0.016 0.000 0.799 452 I N 3.537 124.112 120.570 0.007 0.000 2.163 452 I HA -0.128 4.041 4.170 -0.001 0.000 0.243 452 I C 1.018 177.192 176.117 0.096 0.000 1.085 452 I CA 1.943 63.288 61.300 0.075 0.000 1.347 452 I CB -0.746 37.345 38.000 0.151 0.000 1.044 452 I HN 0.654 nan 8.210 nan 0.000 0.408 453 G N 0.268 109.111 108.800 0.072 0.000 2.846 453 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.660 453 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.660 453 G C 0.481 175.445 174.900 0.106 0.000 1.464 453 G CA 0.173 45.313 45.100 0.068 0.000 0.891 453 G HN 0.694 nan 8.290 nan 0.000 0.552 454 K N -0.026 120.426 120.400 0.088 0.000 2.026 454 K HA -0.105 4.214 4.320 -0.001 0.000 0.208 454 K C 2.047 178.741 176.600 0.156 0.000 1.048 454 K CA 2.190 58.554 56.287 0.128 0.000 0.929 454 K CB -0.202 32.342 32.500 0.073 0.000 0.713 454 K HN 0.512 nan 8.250 nan 0.000 0.439 455 E N 1.031 121.287 120.200 0.092 0.000 2.038 455 E HA -0.124 4.225 4.350 -0.001 0.000 0.195 455 E C 2.160 178.863 176.600 0.172 0.000 1.000 455 E CA 2.100 58.534 56.400 0.057 0.000 0.803 455 E CB -0.854 28.888 29.700 0.070 0.000 0.750 455 E HN 0.464 nan 8.360 nan 0.000 0.448 456 G N -0.629 108.312 108.800 0.236 0.000 2.440 456 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.218 456 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.218 456 G C 1.552 176.641 174.900 0.316 0.000 1.154 456 G CA 1.060 46.340 45.100 0.300 0.000 0.767 456 G HN 0.408 nan 8.290 nan 0.000 0.552 457 Y N 0.431 120.810 120.300 0.131 0.000 2.128 457 Y HA -0.227 4.323 4.550 -0.001 0.000 0.284 457 Y C 2.438 178.397 175.900 0.098 0.000 1.154 457 Y CA 1.402 59.557 58.100 0.091 0.000 1.149 457 Y CB -0.825 37.656 38.460 0.036 0.000 0.976 457 Y HN 0.308 nan 8.280 nan 0.000 0.505 458 Y N -1.035 119.205 120.300 -0.100 0.000 2.114 458 Y HA -0.335 4.215 4.550 -0.001 0.000 0.282 458 Y C 2.095 177.864 175.900 -0.217 0.000 1.165 458 Y CA 2.224 60.153 58.100 -0.286 0.000 1.148 458 Y CB -0.931 37.283 38.460 -0.409 0.000 0.972 458 Y HN 0.218 nan 8.280 nan 0.000 0.504 459 W N -0.675 120.722 121.300 0.161 0.000 2.388 459 W HA -0.170 4.490 4.660 -0.001 0.000 0.294 459 W C 2.251 178.735 176.519 -0.059 0.000 1.212 459 W CA 0.471 57.855 57.345 0.065 0.000 1.271 459 W CB -0.432 29.124 29.460 0.159 0.000 1.126 459 W HN 0.171 nan 8.180 nan 0.000 0.535 460 L N 1.534 122.877 121.223 0.199 0.000 2.013 460 L HA -0.239 4.101 4.340 -0.001 0.000 0.212 460 L C 2.126 179.027 176.870 0.052 0.000 1.073 460 L CA 2.008 56.932 54.840 0.140 0.000 0.753 460 L CB -0.800 41.390 42.059 0.219 0.000 0.890 460 L HN -0.104 nan 8.230 nan 0.000 0.432 461 K N -0.731 119.622 120.400 -0.079 0.000 2.026 461 K HA -0.144 4.176 4.320 -0.001 0.000 0.208 461 K C 2.071 178.524 176.600 -0.245 0.000 1.048 461 K CA 1.475 57.676 56.287 -0.143 0.000 0.929 461 K CB -0.304 32.018 32.500 -0.296 0.000 0.713 461 K HN 0.275 nan 8.250 nan 0.000 0.439 462 I N 1.421 121.847 120.570 -0.240 0.000 2.151 462 I HA -0.321 3.848 4.170 -0.001 0.000 0.243 462 I C 2.617 178.615 176.117 -0.199 0.000 1.080 462 I CA 1.656 62.838 61.300 -0.198 0.000 1.339 462 I CB -1.398 36.601 38.000 -0.001 0.000 1.039 462 I HN 0.380 nan 8.210 nan 0.000 0.409 463 H N 1.307 120.223 119.070 -0.257 0.000 2.353 463 H HA -0.167 4.389 4.556 -0.001 0.000 0.298 463 H C 2.143 177.212 175.328 -0.432 0.000 1.103 463 H CA 2.110 57.978 56.048 -0.300 0.000 1.293 463 H CB -0.281 29.338 29.762 -0.238 0.000 1.372 463 H HN 0.316 nan 8.280 nan 0.000 0.501 464 G N 0.206 108.618 108.800 -0.647 0.000 2.446 464 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.217 464 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.217 464 G C 2.048 176.700 174.900 -0.413 0.000 1.168 464 G CA 1.592 45.944 45.100 -1.247 0.000 0.771 464 G HN 0.609 nan 8.290 nan 0.000 0.551 465 A N 1.311 123.966 122.820 -0.275 0.000 1.917 465 A HA -0.158 4.162 4.320 -0.001 0.000 0.219 465 A C 2.297 179.732 177.584 -0.248 0.000 1.182 465 A CA 1.961 53.899 52.037 -0.166 0.000 0.633 465 A CB -0.521 18.390 19.000 -0.150 0.000 0.819 465 A HN 0.396 nan 8.150 nan 0.000 0.448 466 N N -0.233 118.307 118.700 -0.267 0.000 2.084 466 N HA -0.151 4.588 4.740 -0.001 0.000 0.190 466 N C 1.761 177.135 175.510 -0.227 0.000 1.030 466 N CA 1.684 54.591 53.050 -0.239 0.000 0.849 466 N CB -0.687 37.659 38.487 -0.235 0.000 1.012 466 N HN 0.508 nan 8.380 nan 0.000 0.423 467 C N 0.975 120.123 119.300 -0.254 0.000 2.410 467 C HA 0.011 4.470 4.460 -0.001 0.000 0.281 467 C C 2.571 177.536 174.990 -0.041 0.000 1.318 467 C CA 0.543 59.504 59.018 -0.095 0.000 1.776 467 C CB -1.189 26.582 27.740 0.052 0.000 1.942 467 C HN 0.456 nan 8.230 nan 0.000 0.508 468 A N -1.013 121.754 122.820 -0.089 0.000 2.251 468 A HA 0.439 4.759 4.320 -0.001 0.000 0.209 468 A C 1.787 179.187 177.584 -0.308 0.000 1.187 468 A CA 1.256 53.126 52.037 -0.277 0.000 0.823 468 A CB -0.491 18.362 19.000 -0.245 0.000 0.846 468 A HN 1.133 nan 8.150 nan 0.000 0.486 469 G N -1.808 106.842 108.800 -0.249 0.000 2.175 469 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.244 469 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.244 469 G C 0.253 174.996 174.900 -0.263 0.000 0.982 469 G CA 0.107 45.073 45.100 -0.223 0.000 0.641 469 G HN 0.819 nan 8.290 nan 0.000 0.527 470 V N 2.011 121.707 119.914 -0.362 0.000 2.056 470 V HA 0.397 4.516 4.120 -0.001 0.000 0.267 470 V C 0.792 176.734 176.094 -0.253 0.000 1.535 470 V CA 0.760 62.834 62.300 -0.376 0.000 1.475 470 V CB 0.188 31.631 31.823 -0.633 0.000 1.441 470 V HN 0.555 nan 8.190 nan 0.000 0.500 471 D N -0.358 119.928 120.400 -0.190 0.000 2.469 471 D HA 0.132 4.772 4.640 -0.001 0.000 0.215 471 D C 0.905 177.116 176.300 -0.148 0.000 1.154 471 D CA -0.316 53.603 54.000 -0.135 0.000 0.832 471 D CB 0.410 41.156 40.800 -0.091 0.000 1.008 471 D HN 0.133 nan 8.370 nan 0.000 0.506 472 K N 0.601 120.902 120.400 -0.166 0.000 2.699 472 K HA 0.423 4.743 4.320 -0.001 0.000 0.210 472 K C -1.268 175.213 176.600 -0.199 0.000 1.076 472 K CA -0.558 55.618 56.287 -0.185 0.000 1.109 472 K CB 0.834 33.250 32.500 -0.140 0.000 0.862 472 K HN 0.151 nan 8.250 nan 0.000 0.470 473 V N 0.286 120.081 119.914 -0.198 0.000 3.087 473 V HA 0.578 4.697 4.120 -0.001 0.000 0.306 473 V C -2.695 173.357 176.094 -0.071 0.000 1.187 473 V CA -2.674 59.543 62.300 -0.138 0.000 0.999 473 V CB 2.281 34.063 31.823 -0.068 0.000 1.049 473 V HN 0.039 nan 8.190 nan 0.000 0.431 474 P HA 0.081 nan 4.420 nan 0.000 0.267 474 P C 0.466 178.057 177.300 0.486 0.000 1.201 474 P CA 0.304 63.690 63.100 0.478 0.000 0.775 474 P CB 0.326 32.297 31.700 0.453 0.000 0.854 475 F N 2.799 122.959 119.950 0.349 0.000 2.120 475 F HA -0.143 4.383 4.527 -0.001 0.000 0.300 475 F C -0.106 175.778 175.800 0.139 0.000 1.095 475 F CA 1.957 60.092 58.000 0.226 0.000 1.249 475 F CB -3.023 36.136 39.000 0.265 0.000 0.995 475 F HN 0.393 nan 8.300 nan 0.000 0.480 476 P HA -0.200 nan 4.420 nan 0.000 0.216 476 P C 1.077 178.476 177.300 0.165 0.000 1.150 476 P CA 1.803 65.037 63.100 0.223 0.000 0.837 476 P CB -0.124 31.690 31.700 0.189 0.000 0.786 477 E N -0.252 120.046 120.200 0.163 0.000 2.274 477 E HA -0.097 4.252 4.350 -0.001 0.000 0.194 477 E C 2.253 178.929 176.600 0.127 0.000 0.996 477 E CA 0.527 57.006 56.400 0.131 0.000 0.840 477 E CB -0.182 29.581 29.700 0.105 0.000 0.772 477 E HN 0.379 nan 8.360 nan 0.000 0.491 478 R N 0.361 120.913 120.500 0.087 0.000 2.093 478 R HA -0.020 4.319 4.340 -0.001 0.000 0.224 478 R C 2.208 178.554 176.300 0.077 0.000 1.101 478 R CA 0.669 56.790 56.100 0.034 0.000 0.979 478 R CB -0.095 30.153 30.300 -0.087 0.000 0.877 478 R HN 0.115 nan 8.270 nan 0.000 0.441 479 I N 1.573 122.160 120.570 0.029 0.000 2.252 479 I HA -0.187 3.983 4.170 -0.001 0.000 0.245 479 I C 2.287 178.458 176.117 0.091 0.000 1.102 479 I CA 1.304 62.599 61.300 -0.010 0.000 1.385 479 I CB -0.819 37.150 38.000 -0.053 0.000 1.064 479 I HN 0.018 nan 8.210 nan 0.000 0.414 480 K N 1.319 121.793 120.400 0.123 0.000 2.009 480 K HA -0.240 4.079 4.320 -0.001 0.000 0.210 480 K C 2.214 178.910 176.600 0.159 0.000 1.049 480 K CA 1.605 57.971 56.287 0.132 0.000 0.929 480 K CB -0.844 31.735 32.500 0.132 0.000 0.714 480 K HN 0.136 nan 8.250 nan 0.000 0.440 481 F N 0.628 120.618 119.950 0.067 0.000 2.091 481 F HA -0.221 4.305 4.527 -0.001 0.000 0.299 481 F C 1.661 177.543 175.800 0.137 0.000 1.103 481 F CA 1.455 59.510 58.000 0.093 0.000 1.228 481 F CB -0.117 38.926 39.000 0.071 0.000 0.984 481 F HN 0.010 nan 8.300 nan 0.000 0.477 482 I N 0.793 121.498 120.570 0.225 0.000 2.252 482 I HA -0.224 3.946 4.170 -0.001 0.000 0.245 482 I C 2.262 178.435 176.117 0.092 0.000 1.102 482 I CA 1.411 62.813 61.300 0.170 0.000 1.385 482 I CB -1.464 36.696 38.000 0.267 0.000 1.064 482 I HN 0.329 nan 8.210 nan 0.000 0.414 483 E N 0.768 121.040 120.200 0.120 0.000 2.077 483 E HA -0.223 4.126 4.350 -0.001 0.000 0.193 483 E C 1.927 178.582 176.600 0.093 0.000 0.989 483 E CA 1.103 57.593 56.400 0.149 0.000 0.800 483 E CB -0.192 29.590 29.700 0.136 0.000 0.746 483 E HN 0.578 nan 8.360 nan 0.000 0.452 484 E N 0.740 120.942 120.200 0.004 0.000 2.204 484 E HA -0.147 4.203 4.350 -0.001 0.000 0.195 484 E C 0.944 177.474 176.600 -0.117 0.000 0.990 484 E CA 0.916 57.284 56.400 -0.053 0.000 0.821 484 E CB -0.125 29.528 29.700 -0.078 0.000 0.750 484 E HN 0.211 nan 8.360 nan 0.000 0.477 485 N N -0.251 118.351 118.700 -0.163 0.000 2.251 485 N HA -0.038 4.701 4.740 -0.001 0.000 0.217 485 N C 1.033 176.510 175.510 -0.055 0.000 1.124 485 N CA -0.078 52.858 53.050 -0.191 0.000 0.843 485 N CB 0.261 38.661 38.487 -0.145 0.000 1.024 485 N HN 0.123 nan 8.380 nan 0.000 0.501 486 H N 1.862 120.872 119.070 -0.099 0.000 2.325 486 H HA -0.177 4.379 4.556 -0.001 0.000 0.293 486 H C 1.317 176.597 175.328 -0.080 0.000 1.106 486 H CA 1.766 57.779 56.048 -0.058 0.000 1.247 486 H CB 0.376 30.176 29.762 0.064 0.000 1.359 486 H HN 0.248 nan 8.280 nan 0.000 0.488 487 E N 0.339 120.605 120.200 0.110 0.000 2.072 487 E HA -0.110 4.239 4.350 -0.001 0.000 0.191 487 E C 2.156 178.731 176.600 -0.041 0.000 0.985 487 E CA 0.886 57.293 56.400 0.012 0.000 0.801 487 E CB -0.325 29.318 29.700 -0.096 0.000 0.750 487 E HN 0.582 nan 8.360 nan 0.000 0.452 488 N N 0.818 119.407 118.700 -0.186 0.000 2.104 488 N HA -0.134 4.606 4.740 -0.001 0.000 0.190 488 N C 1.995 177.562 175.510 0.095 0.000 1.024 488 N CA 1.128 54.002 53.050 -0.294 0.000 0.853 488 N CB -0.254 37.519 38.487 -1.189 0.000 1.008 488 N HN 0.164 nan 8.380 nan 0.000 0.424 489 I N 0.183 120.835 120.570 0.136 0.000 2.142 489 I HA -0.241 3.929 4.170 -0.001 0.000 0.240 489 I C 1.930 178.025 176.117 -0.037 0.000 1.078 489 I CA 0.907 62.241 61.300 0.057 0.000 1.343 489 I CB -0.291 37.477 38.000 -0.386 0.000 1.046 489 I HN 0.127 nan 8.210 nan 0.000 0.405 490 M N 0.753 120.351 119.600 -0.004 0.000 2.144 490 M HA -0.208 4.272 4.480 -0.001 0.000 0.260 490 M C 2.577 178.925 176.300 0.078 0.000 1.067 490 M CA 2.015 57.355 55.300 0.065 0.000 1.095 490 M CB -1.631 31.075 32.600 0.177 0.000 1.365 490 M HN 0.355 nan 8.290 nan 0.000 0.406 491 A N 0.109 122.976 122.820 0.079 0.000 1.851 491 A HA -0.185 4.134 4.320 -0.001 0.000 0.216 491 A C 2.531 180.189 177.584 0.124 0.000 1.195 491 A CA 2.026 54.117 52.037 0.090 0.000 0.622 491 A CB -1.359 17.680 19.000 0.065 0.000 0.831 491 A HN 0.599 nan 8.150 nan 0.000 0.444 492 C N -0.869 118.534 119.300 0.172 0.000 2.419 492 C HA 0.106 4.565 4.460 -0.001 0.000 0.281 492 C C 3.238 178.213 174.990 -0.025 0.000 1.336 492 C CA 0.611 59.748 59.018 0.199 0.000 1.770 492 C CB -1.500 26.456 27.740 0.361 0.000 1.929 492 C HN 0.684 nan 8.230 nan 0.000 0.509 493 A N 0.552 123.337 122.820 -0.057 0.000 1.872 493 A HA -0.165 4.155 4.320 -0.001 0.000 0.214 493 A C 2.207 179.876 177.584 0.142 0.000 1.187 493 A CA 1.780 53.786 52.037 -0.052 0.000 0.614 493 A CB -0.497 18.486 19.000 -0.028 0.000 0.826 493 A HN 0.624 nan 8.150 nan 0.000 0.442 494 K N -0.843 119.636 120.400 0.132 0.000 2.026 494 K HA -0.002 4.318 4.320 -0.001 0.000 0.208 494 K C 0.059 176.742 176.600 0.139 0.000 1.048 494 K CA 1.534 57.907 56.287 0.143 0.000 0.929 494 K CB -0.077 32.493 32.500 0.117 0.000 0.713 494 K HN 0.302 nan 8.250 nan 0.000 0.439 495 S N 0.521 116.302 115.700 0.135 0.000 2.216 495 S HA 0.246 4.715 4.470 -0.001 0.000 0.156 495 S C -2.308 172.405 174.600 0.189 0.000 1.665 495 S CA -1.233 57.054 58.200 0.144 0.000 1.262 495 S CB 1.507 64.775 63.200 0.113 0.000 1.207 495 S HN 0.166 nan 8.310 nan 0.000 0.427 496 P HA -0.103 nan 4.420 nan 0.000 0.216 496 P C 1.113 178.698 177.300 0.476 0.000 1.150 496 P CA 0.974 64.273 63.100 0.333 0.000 0.837 496 P CB 0.076 31.834 31.700 0.097 0.000 0.786 497 L N -0.489 120.914 121.223 0.300 0.000 2.465 497 L HA -0.019 4.321 4.340 -0.001 0.000 0.224 497 L C 2.215 179.172 176.870 0.145 0.000 1.145 497 L CA 1.250 56.228 54.840 0.229 0.000 0.834 497 L CB -0.883 41.281 42.059 0.174 0.000 0.944 497 L HN -0.042 nan 8.230 nan 0.000 0.451 498 E N -0.784 119.504 120.200 0.146 0.000 2.460 498 E HA 0.142 4.491 4.350 -0.001 0.000 0.200 498 E C -0.135 176.519 176.600 0.090 0.000 1.011 498 E CA -0.027 56.426 56.400 0.089 0.000 0.912 498 E CB 0.391 30.136 29.700 0.075 0.000 0.953 498 E HN 0.405 nan 8.360 nan 0.000 0.494 499 N N 1.156 119.948 118.700 0.155 0.000 2.448 499 N HA 0.057 4.796 4.740 -0.001 0.000 0.279 499 N C 0.213 175.784 175.510 0.103 0.000 1.025 499 N CA 0.037 53.178 53.050 0.151 0.000 0.898 499 N CB 1.888 40.505 38.487 0.216 0.000 1.303 499 N HN -0.014 nan 8.380 nan 0.000 0.495 500 T N -2.354 112.172 114.554 -0.046 0.000 3.129 500 T HA -0.027 4.323 4.350 -0.001 0.000 0.251 500 T C 1.497 176.035 174.700 -0.270 0.000 1.117 500 T CA -0.239 61.667 62.100 -0.323 0.000 1.034 500 T CB -0.093 68.620 68.868 -0.258 0.000 0.968 500 T HN 0.524 nan 8.240 nan 0.000 0.526 501 W N 2.906 124.099 121.300 -0.179 0.000 2.304 501 W HA -0.181 4.478 4.660 -0.001 0.000 0.315 501 W C 2.078 178.532 176.519 -0.109 0.000 1.233 501 W CA 1.631 58.913 57.345 -0.105 0.000 1.261 501 W CB -0.644 28.820 29.460 0.008 0.000 1.150 501 W HN 0.581 nan 8.180 nan 0.000 0.494 502 W N -0.401 120.867 121.300 -0.054 0.000 2.363 502 W HA -0.062 4.597 4.660 -0.001 0.000 0.296 502 W C 1.827 178.180 176.519 -0.277 0.000 1.212 502 W CA 1.498 58.716 57.345 -0.212 0.000 1.260 502 W CB -1.723 27.813 29.460 0.126 0.000 1.131 502 W HN 0.058 nan 8.180 nan 0.000 0.530 503 A N 1.440 123.763 122.820 -0.828 0.000 2.172 503 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 503 A C 1.737 179.077 177.584 -0.408 0.000 1.154 503 A CA 1.417 52.981 52.037 -0.788 0.000 0.701 503 A CB -0.706 17.598 19.000 -1.161 0.000 0.789 503 A HN 0.513 nan 8.150 nan 0.000 0.465 504 E N -0.062 119.904 120.200 -0.389 0.000 2.479 504 E HA 0.019 4.369 4.350 -0.001 0.000 0.193 504 E C -0.084 176.322 176.600 -0.324 0.000 1.049 504 E CA -0.177 56.048 56.400 -0.292 0.000 0.870 504 E CB 0.185 29.752 29.700 -0.221 0.000 0.944 504 E HN 0.552 nan 8.360 nan 0.000 0.492 505 Q N 0.589 120.142 119.800 -0.412 0.000 2.260 505 Q HA 0.053 4.392 4.340 -0.001 0.000 0.238 505 Q C 0.390 176.257 176.000 -0.221 0.000 0.948 505 Q CA -0.109 55.435 55.803 -0.432 0.000 0.895 505 Q CB 0.794 29.088 28.738 -0.741 0.000 1.218 505 Q HN -0.023 nan 8.270 nan 0.000 0.470 506 D N 0.345 120.631 120.400 -0.189 0.000 2.172 506 D HA -0.112 4.527 4.640 -0.001 0.000 0.196 506 D C -0.039 176.235 176.300 -0.043 0.000 0.999 506 D CA 1.458 55.395 54.000 -0.105 0.000 0.856 506 D CB 0.175 40.910 40.800 -0.109 0.000 0.934 506 D HN 0.202 nan 8.370 nan 0.000 0.453 507 S N 0.495 116.184 115.700 -0.018 0.000 2.060 507 S HA 0.161 4.631 4.470 -0.001 0.000 0.156 507 S C -1.771 172.929 174.600 0.168 0.000 1.690 507 S CA -1.171 57.075 58.200 0.076 0.000 1.238 507 S CB 1.628 64.867 63.200 0.066 0.000 1.150 507 S HN 0.038 nan 8.310 nan 0.000 0.437 508 P HA -0.239 nan 4.420 nan 0.000 0.212 508 P C 1.052 178.549 177.300 0.328 0.000 1.128 508 P CA 1.746 64.980 63.100 0.225 0.000 0.961 508 P CB -0.088 31.685 31.700 0.122 0.000 0.782 509 F N -0.228 119.909 119.950 0.312 0.000 2.134 509 F HA -0.166 4.361 4.527 -0.001 0.000 0.299 509 F C 2.905 178.804 175.800 0.165 0.000 1.097 509 F CA 1.324 59.452 58.000 0.214 0.000 1.264 509 F CB -1.492 37.621 39.000 0.189 0.000 1.001 509 F HN 0.026 nan 8.300 nan 0.000 0.479 510 C N -0.722 118.802 119.300 0.372 0.000 2.422 510 C HA -0.189 4.270 4.460 -0.001 0.000 0.279 510 C C 2.655 177.835 174.990 0.317 0.000 1.305 510 C CA 0.404 59.607 59.018 0.308 0.000 1.757 510 C CB -1.502 26.392 27.740 0.256 0.000 1.962 510 C HN 0.519 nan 8.230 nan 0.000 0.499 511 F N 1.400 121.449 119.950 0.165 0.000 2.146 511 F HA -0.090 4.437 4.527 -0.001 0.000 0.298 511 F C 2.069 177.934 175.800 0.107 0.000 1.096 511 F CA 1.454 59.558 58.000 0.174 0.000 1.275 511 F CB -0.486 38.563 39.000 0.081 0.000 1.008 511 F HN 0.132 nan 8.300 nan 0.000 0.480 512 L N 1.051 122.288 121.223 0.023 0.000 2.042 512 L HA -0.066 4.273 4.340 -0.001 0.000 0.210 512 L C 2.440 178.993 176.870 -0.529 0.000 1.076 512 L CA 2.086 56.613 54.840 -0.521 0.000 0.749 512 L CB -1.551 39.927 42.059 -0.968 0.000 0.893 512 L HN 0.171 nan 8.230 nan 0.000 0.432 513 A N -0.456 122.318 122.820 -0.078 0.000 1.892 513 A HA -0.324 3.995 4.320 -0.001 0.000 0.218 513 A C 2.360 180.004 177.584 0.100 0.000 1.188 513 A CA 2.196 54.328 52.037 0.158 0.000 0.631 513 A CB -1.395 17.742 19.000 0.228 0.000 0.822 513 A HN 0.663 nan 8.150 nan 0.000 0.447 514 F N 0.394 120.275 119.950 -0.115 0.000 2.095 514 F HA -0.272 4.255 4.527 -0.001 0.000 0.298 514 F C 2.445 178.119 175.800 -0.210 0.000 1.104 514 F CA 1.854 59.766 58.000 -0.147 0.000 1.232 514 F CB -0.659 38.226 39.000 -0.191 0.000 0.987 514 F HN 0.294 nan 8.300 nan 0.000 0.475 515 C N 1.041 119.767 119.300 -0.955 0.000 2.376 515 C HA -0.242 4.218 4.460 -0.001 0.000 0.275 515 C C 2.562 177.221 174.990 -0.552 0.000 1.200 515 C CA 1.276 59.684 59.018 -1.017 0.000 1.756 515 C CB -1.720 25.530 27.740 -0.817 0.000 2.050 515 C HN 0.596 nan 8.230 nan 0.000 0.460 516 F N 1.351 121.129 119.950 -0.287 0.000 2.043 516 F HA -0.154 4.373 4.527 -0.001 0.000 0.297 516 F C 2.482 178.194 175.800 -0.147 0.000 1.121 516 F CA 1.717 59.620 58.000 -0.161 0.000 1.199 516 F CB -1.231 37.719 39.000 -0.082 0.000 0.968 516 F HN 0.245 nan 8.300 nan 0.000 0.478 517 E N -0.663 119.614 120.200 0.129 0.000 2.085 517 E HA -0.272 4.078 4.350 -0.001 0.000 0.194 517 E C 2.141 178.709 176.600 -0.054 0.000 0.994 517 E CA 1.456 57.934 56.400 0.131 0.000 0.801 517 E CB -1.224 28.614 29.700 0.230 0.000 0.743 517 E HN 0.532 nan 8.360 nan 0.000 0.453 518 Y N 1.474 121.584 120.300 -0.317 0.000 2.128 518 Y HA -0.241 4.308 4.550 -0.001 0.000 0.284 518 Y C 2.376 178.053 175.900 -0.371 0.000 1.154 518 Y CA 1.796 59.687 58.100 -0.347 0.000 1.149 518 Y CB -0.525 37.483 38.460 -0.753 0.000 0.976 518 Y HN 0.031 nan 8.280 nan 0.000 0.505 519 A N -0.030 122.711 122.820 -0.132 0.000 1.940 519 A HA -0.129 4.191 4.320 -0.001 0.000 0.219 519 A C 2.506 179.691 177.584 -0.665 0.000 1.176 519 A CA 1.748 53.588 52.037 -0.329 0.000 0.631 519 A CB -1.717 17.182 19.000 -0.168 0.000 0.814 519 A HN 0.604 nan 8.150 nan 0.000 0.446 520 G N -0.556 107.910 108.800 -0.558 0.000 2.440 520 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.218 520 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.218 520 G C 1.520 175.836 174.900 -0.973 0.000 1.154 520 G CA 1.247 45.840 45.100 -0.847 0.000 0.767 520 G HN 0.323 nan 8.290 nan 0.000 0.552 521 V N 0.540 119.896 119.914 -0.931 0.000 2.343 521 V HA -0.198 3.921 4.120 -0.001 0.000 0.247 521 V C 3.047 178.895 176.094 -0.409 0.000 1.051 521 V CA 1.938 63.900 62.300 -0.562 0.000 1.036 521 V CB -0.365 31.176 31.823 -0.469 0.000 0.654 521 V HN 0.317 nan 8.190 nan 0.000 0.451 522 Q N -0.393 119.145 119.800 -0.436 0.000 2.096 522 Q HA -0.220 4.119 4.340 -0.001 0.000 0.204 522 Q C 2.075 178.015 176.000 -0.099 0.000 0.982 522 Q CA 2.163 57.806 55.803 -0.266 0.000 0.850 522 Q CB -0.536 28.069 28.738 -0.223 0.000 0.901 522 Q HN 0.821 nan 8.270 nan 0.000 0.422 523 H N -1.746 117.281 119.070 -0.073 0.000 2.372 523 H HA -0.012 4.544 4.556 -0.001 0.000 0.301 523 H C 1.427 176.684 175.328 -0.120 0.000 1.065 523 H CA 0.965 56.974 56.048 -0.064 0.000 1.364 523 H CB 0.123 29.878 29.762 -0.011 0.000 1.406 523 H HN 0.354 nan 8.280 nan 0.000 0.521 524 H N -0.778 118.281 119.070 -0.018 0.000 2.654 524 H HA 0.263 4.819 4.556 -0.001 0.000 0.264 524 H C 0.994 176.313 175.328 -0.015 0.000 0.954 524 H CA 0.528 56.584 56.048 0.014 0.000 1.199 524 H CB 0.941 30.759 29.762 0.094 0.000 1.446 524 H HN 0.534 nan 8.280 nan 0.000 0.516 525 G N 0.122 108.931 108.800 0.016 0.000 2.710 525 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.668 525 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.668 525 G C 0.405 175.275 174.900 -0.050 0.000 1.320 525 G CA -0.265 44.803 45.100 -0.053 0.000 0.860 525 G HN 0.235 nan 8.290 nan 0.000 0.538 526 L N 0.711 121.878 121.223 -0.094 0.000 2.642 526 L HA 0.019 4.358 4.340 -0.001 0.000 0.236 526 L C 2.595 179.477 176.870 0.020 0.000 1.169 526 L CA 1.505 56.304 54.840 -0.068 0.000 0.851 526 L CB -0.603 41.411 42.059 -0.075 0.000 0.968 526 L HN 0.667 nan 8.230 nan 0.000 0.453 527 S N -2.086 113.646 115.700 0.053 0.000 2.524 527 S HA -0.079 4.390 4.470 -0.001 0.000 0.216 527 S C 0.705 175.350 174.600 0.075 0.000 0.987 527 S CA -0.449 57.786 58.200 0.057 0.000 0.909 527 S CB -0.414 62.820 63.200 0.057 0.000 0.781 527 S HN 0.365 nan 8.310 nan 0.000 0.521 528 Y N 4.413 124.700 120.300 -0.021 0.000 2.916 528 Y HA 0.062 4.611 4.550 -0.001 0.000 0.344 528 Y C 0.194 176.056 175.900 -0.063 0.000 1.282 528 Y CA -0.656 57.405 58.100 -0.065 0.000 1.604 528 Y CB -0.360 38.050 38.460 -0.083 0.000 1.207 528 Y HN 0.175 nan 8.280 nan 0.000 0.561 529 N N 5.949 124.310 118.700 -0.565 0.000 2.399 529 N HA 0.162 4.901 4.740 -0.001 0.000 0.259 529 N C -1.430 173.598 175.510 -0.804 0.000 1.160 529 N CA -0.136 52.611 53.050 -0.505 0.000 0.946 529 N CB 0.066 38.370 38.487 -0.303 0.000 1.156 529 N HN 0.669 nan 8.380 nan 0.000 0.489 530 C N 2.581 121.558 119.300 -0.539 0.000 2.435 530 C HA 0.665 5.125 4.460 -0.001 0.000 0.333 530 C C 0.936 175.821 174.990 -0.175 0.000 1.202 530 C CA -0.401 58.390 59.018 -0.379 0.000 1.830 530 C CB 0.589 28.249 27.740 -0.134 0.000 2.326 530 C HN 0.889 nan 8.230 nan 0.000 0.507 531 S N 3.179 118.809 115.700 -0.116 0.000 3.009 531 S HA 0.212 4.681 4.470 -0.001 0.000 0.254 531 S C -0.415 174.159 174.600 -0.044 0.000 1.004 531 S CA -0.275 57.872 58.200 -0.088 0.000 1.119 531 S CB -0.222 62.918 63.200 -0.100 0.000 1.075 531 S HN 0.616 nan 8.310 nan 0.000 0.618 532 L N 4.261 125.476 121.223 -0.012 0.000 2.455 532 L HA 0.394 4.733 4.340 -0.001 0.000 0.272 532 L C -2.430 174.421 176.870 -0.032 0.000 1.174 532 L CA -1.456 53.388 54.840 0.007 0.000 0.869 532 L CB 0.216 42.276 42.059 0.002 0.000 1.130 532 L HN 0.063 nan 8.230 nan 0.000 0.474 533 P HA 0.101 nan 4.420 nan 0.000 0.279 533 P C -1.009 176.279 177.300 -0.021 0.000 1.318 533 P CA -0.091 63.029 63.100 0.033 0.000 0.819 533 P CB 0.160 31.971 31.700 0.185 0.000 0.927 534 L N 3.139 124.313 121.223 -0.082 0.000 2.313 534 L HA 0.486 4.826 4.340 -0.001 0.000 0.282 534 L C 0.932 177.735 176.870 -0.111 0.000 1.092 534 L CA -0.567 54.211 54.840 -0.104 0.000 0.831 534 L CB 0.789 42.736 42.059 -0.187 0.000 1.159 534 L HN 0.305 nan 8.230 nan 0.000 0.442 535 A N 4.170 126.983 122.820 -0.012 0.000 2.305 535 A HA 0.746 5.065 4.320 -0.001 0.000 0.322 535 A C -0.934 176.509 177.584 -0.234 0.000 1.187 535 A CA -0.339 51.667 52.037 -0.052 0.000 0.825 535 A CB 0.419 19.457 19.000 0.063 0.000 1.164 535 A HN 0.528 nan 8.150 nan 0.000 0.498 536 F N 2.007 122.103 119.950 0.242 0.000 2.347 536 F HA 0.299 4.826 4.527 -0.001 0.000 0.366 536 F C -0.277 175.830 175.800 0.511 0.000 1.107 536 F CA -0.549 57.702 58.000 0.419 0.000 1.058 536 F CB 1.666 40.862 39.000 0.326 0.000 1.236 536 F HN 0.468 nan 8.300 nan 0.000 0.456 537 D N 2.024 122.851 120.400 0.712 0.000 2.175 537 D HA 0.329 4.968 4.640 -0.001 0.000 0.248 537 D C 0.384 176.689 176.300 0.009 0.000 1.047 537 D CA -0.280 53.832 54.000 0.186 0.000 0.883 537 D CB 2.129 42.933 40.800 0.006 0.000 1.180 537 D HN 0.651 nan 8.370 nan 0.000 0.438 538 G N 0.840 109.636 108.800 -0.007 0.000 2.390 538 G HA2 0.228 4.188 3.960 -0.001 0.000 0.270 538 G HA3 0.228 4.188 3.960 -0.001 0.000 0.270 538 G C 1.046 175.842 174.900 -0.173 0.000 1.211 538 G CA -0.310 44.751 45.100 -0.065 0.000 0.842 538 G HN 0.314 nan 8.290 nan 0.000 0.519 539 S N 0.286 115.856 115.700 -0.218 0.000 2.563 539 S HA -0.189 4.280 4.470 -0.001 0.000 0.225 539 S C 1.137 175.632 174.600 -0.175 0.000 1.146 539 S CA 0.886 58.952 58.200 -0.224 0.000 1.500 539 S CB -0.279 62.799 63.200 -0.203 0.000 1.099 539 S HN 0.617 nan 8.310 nan 0.000 0.393 540 C N 2.068 121.271 119.300 -0.162 0.000 2.503 540 C HA 0.438 4.898 4.460 -0.001 0.000 0.356 540 C C 1.984 176.894 174.990 -0.133 0.000 1.168 540 C CA -0.598 58.342 59.018 -0.129 0.000 1.655 540 C CB -1.291 26.382 27.740 -0.112 0.000 1.660 540 C HN 0.863 nan 8.230 nan 0.000 0.484 541 S N 2.067 117.687 115.700 -0.133 0.000 2.406 541 S HA -0.221 4.248 4.470 -0.001 0.000 0.242 541 S C 1.993 176.533 174.600 -0.100 0.000 1.079 541 S CA 2.375 60.500 58.200 -0.124 0.000 1.133 541 S CB -0.862 62.291 63.200 -0.077 0.000 1.005 541 S HN 0.797 nan 8.310 nan 0.000 0.443 542 G N 1.922 110.649 108.800 -0.122 0.000 2.587 542 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.217 542 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.217 542 G C 1.491 176.271 174.900 -0.201 0.000 1.240 542 G CA 1.157 46.143 45.100 -0.191 0.000 0.794 542 G HN 0.605 nan 8.290 nan 0.000 0.580 543 I N 0.613 121.143 120.570 -0.068 0.000 2.423 543 I HA -0.221 3.949 4.170 -0.001 0.000 0.254 543 I C 3.018 179.102 176.117 -0.055 0.000 1.151 543 I CA 1.008 62.318 61.300 0.017 0.000 1.421 543 I CB -0.234 37.773 38.000 0.012 0.000 1.079 543 I HN 0.321 nan 8.210 nan 0.000 0.431 544 Q N -0.214 119.492 119.800 -0.156 0.000 2.016 544 Q HA -0.201 4.139 4.340 -0.001 0.000 0.200 544 Q C 2.301 178.106 176.000 -0.325 0.000 0.978 544 Q CA 1.300 56.954 55.803 -0.249 0.000 0.833 544 Q CB -0.151 28.387 28.738 -0.334 0.000 0.895 544 Q HN 0.598 nan 8.270 nan 0.000 0.427 545 H N -0.536 118.360 119.070 -0.290 0.000 2.321 545 H HA -0.123 4.433 4.556 -0.001 0.000 0.300 545 H C 2.042 177.230 175.328 -0.234 0.000 1.087 545 H CA 1.246 57.076 56.048 -0.364 0.000 1.319 545 H CB -0.195 29.362 29.762 -0.342 0.000 1.379 545 H HN 0.213 nan 8.280 nan 0.000 0.501 546 F N 0.982 120.940 119.950 0.013 0.000 2.161 546 F HA -0.144 4.382 4.527 -0.001 0.000 0.300 546 F C 2.828 178.591 175.800 -0.062 0.000 1.089 546 F CA 0.835 58.842 58.000 0.012 0.000 1.282 546 F CB -0.799 38.232 39.000 0.052 0.000 1.010 546 F HN -0.005 nan 8.300 nan 0.000 0.485 547 S N -0.598 115.148 115.700 0.076 0.000 2.453 547 S HA -0.005 4.465 4.470 -0.001 0.000 0.231 547 S C 2.256 176.791 174.600 -0.109 0.000 1.005 547 S CA 0.737 58.926 58.200 -0.019 0.000 0.949 547 S CB -0.332 62.840 63.200 -0.048 0.000 0.774 547 S HN 0.327 nan 8.310 nan 0.000 0.510 548 A N 2.239 124.913 122.820 -0.244 0.000 1.874 548 A HA 0.013 4.333 4.320 -0.001 0.000 0.214 548 A C 2.092 179.488 177.584 -0.312 0.000 1.189 548 A CA 1.261 53.065 52.037 -0.389 0.000 0.615 548 A CB -0.636 17.896 19.000 -0.779 0.000 0.830 548 A HN 0.648 nan 8.150 nan 0.000 0.443 549 M N -1.658 117.777 119.600 -0.274 0.000 2.632 549 M HA 0.207 4.686 4.480 -0.001 0.000 0.256 549 M C 0.583 176.927 176.300 0.074 0.000 1.080 549 M CA 1.449 56.795 55.300 0.076 0.000 1.084 549 M CB -0.267 32.519 32.600 0.310 0.000 1.439 549 M HN 0.172 nan 8.290 nan 0.000 0.509 550 L N 0.692 121.923 121.223 0.014 0.000 3.267 550 L HA 0.357 4.697 4.340 -0.001 0.000 0.289 550 L C -0.018 176.838 176.870 -0.023 0.000 1.260 550 L CA -0.598 54.239 54.840 -0.005 0.000 1.034 550 L CB 0.336 42.387 42.059 -0.013 0.000 1.413 550 L HN 0.276 nan 8.230 nan 0.000 0.594 551 R N 0.436 120.919 120.500 -0.030 0.000 3.387 551 R HA -0.222 4.117 4.340 -0.001 0.000 0.254 551 R C -0.029 176.248 176.300 -0.039 0.000 1.006 551 R CA 0.591 56.670 56.100 -0.036 0.000 0.677 551 R CB -2.335 27.951 30.300 -0.022 0.000 1.063 551 R HN 0.430 nan 8.270 nan 0.000 0.453 552 D N 1.703 122.078 120.400 -0.042 0.000 2.343 552 D HA 0.001 4.641 4.640 -0.001 0.000 0.255 552 D C 1.448 177.723 176.300 -0.042 0.000 1.187 552 D CA 0.028 54.005 54.000 -0.038 0.000 0.875 552 D CB 0.851 41.632 40.800 -0.032 0.000 1.136 552 D HN 0.318 nan 8.370 nan 0.000 0.469 553 E N 3.668 123.846 120.200 -0.038 0.000 2.060 553 E HA -0.110 4.239 4.350 -0.001 0.000 0.189 553 E C 1.828 178.407 176.600 -0.035 0.000 0.974 553 E CA 0.725 57.104 56.400 -0.036 0.000 0.808 553 E CB -0.794 28.889 29.700 -0.030 0.000 0.768 553 E HN 0.341 nan 8.360 nan 0.000 0.453 554 V N 2.074 121.967 119.914 -0.035 0.000 2.220 554 V HA -0.200 3.919 4.120 -0.001 0.000 0.246 554 V C 2.755 178.825 176.094 -0.041 0.000 1.049 554 V CA 2.405 64.683 62.300 -0.037 0.000 1.003 554 V CB -1.538 30.261 31.823 -0.041 0.000 0.634 554 V HN 0.469 nan 8.190 nan 0.000 0.444 555 G N -0.064 108.711 108.800 -0.041 0.000 2.418 555 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.217 555 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.217 555 G C 1.623 176.494 174.900 -0.048 0.000 1.158 555 G CA 0.954 46.029 45.100 -0.041 0.000 0.771 555 G HN 0.639 nan 8.290 nan 0.000 0.545 556 G N 0.237 109.007 108.800 -0.051 0.000 2.440 556 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.218 556 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.218 556 G C 1.811 176.678 174.900 -0.055 0.000 1.154 556 G CA 0.985 46.046 45.100 -0.065 0.000 0.767 556 G HN 0.450 nan 8.290 nan 0.000 0.552 557 R N 0.396 120.872 120.500 -0.040 0.000 2.092 557 R HA 0.051 4.390 4.340 -0.001 0.000 0.231 557 R C 2.884 179.167 176.300 -0.028 0.000 1.119 557 R CA 1.175 57.260 56.100 -0.024 0.000 0.970 557 R CB -0.300 29.989 30.300 -0.017 0.000 0.864 557 R HN 0.310 nan 8.270 nan 0.000 0.440 558 A N 0.364 123.156 122.820 -0.046 0.000 2.019 558 A HA -0.100 4.219 4.320 -0.001 0.000 0.219 558 A C 1.732 179.262 177.584 -0.090 0.000 1.164 558 A CA 1.569 53.567 52.037 -0.065 0.000 0.644 558 A CB -0.134 18.825 19.000 -0.069 0.000 0.805 558 A HN 0.292 nan 8.150 nan 0.000 0.449 559 V N -4.314 115.550 119.914 -0.084 0.000 3.177 559 V HA 0.248 4.368 4.120 -0.001 0.000 0.342 559 V C 0.038 176.087 176.094 -0.075 0.000 1.379 559 V CA -0.100 62.136 62.300 -0.107 0.000 1.191 559 V CB -1.218 30.535 31.823 -0.115 0.000 1.167 559 V HN 0.500 nan 8.190 nan 0.000 0.471 560 N N 0.121 118.808 118.700 -0.022 0.000 2.735 560 N HA -0.196 4.543 4.740 -0.001 0.000 0.248 560 N C 0.519 176.041 175.510 0.020 0.000 1.083 560 N CA 1.001 54.085 53.050 0.056 0.000 0.703 560 N CB -1.086 37.483 38.487 0.135 0.000 1.005 560 N HN 0.457 nan 8.380 nan 0.000 0.550 561 L N -0.086 121.118 121.223 -0.031 0.000 2.131 561 L HA 0.177 4.517 4.340 -0.001 0.000 0.206 561 L C 1.157 178.000 176.870 -0.045 0.000 1.087 561 L CA 1.439 56.241 54.840 -0.063 0.000 0.767 561 L CB -0.041 41.963 42.059 -0.092 0.000 0.917 561 L HN 0.275 nan 8.230 nan 0.000 0.441 562 L N 1.198 122.406 121.223 -0.025 0.000 2.343 562 L HA 0.335 4.674 4.340 -0.001 0.000 0.275 562 L C -2.045 174.820 176.870 -0.009 0.000 1.056 562 L CA -1.975 52.852 54.840 -0.021 0.000 0.804 562 L CB 0.896 42.945 42.059 -0.016 0.000 1.203 562 L HN -0.030 nan 8.230 nan 0.000 0.440 563 P HA 0.037 nan 4.420 nan 0.000 0.267 563 P C -0.757 176.538 177.300 -0.009 0.000 1.209 563 P CA 0.146 63.216 63.100 -0.050 0.000 0.763 563 P CB 1.583 33.246 31.700 -0.062 0.000 0.816 564 S N 1.320 117.029 115.700 0.015 0.000 2.651 564 S HA 0.208 4.677 4.470 -0.001 0.000 0.279 564 S C 0.872 175.566 174.600 0.158 0.000 1.148 564 S CA -0.595 57.668 58.200 0.104 0.000 0.837 564 S CB 1.761 65.067 63.200 0.177 0.000 1.138 564 S HN 0.537 nan 8.310 nan 0.000 0.478 565 E N 0.410 120.724 120.200 0.190 0.000 2.170 565 E HA 0.048 4.398 4.350 -0.001 0.000 0.191 565 E C 0.478 177.341 176.600 0.438 0.000 0.981 565 E CA 0.897 57.437 56.400 0.234 0.000 0.830 565 E CB 0.073 29.860 29.700 0.144 0.000 0.775 565 E HN 0.697 nan 8.360 nan 0.000 0.470 566 T N -1.420 113.355 114.554 0.369 0.000 2.925 566 T HA 0.449 4.799 4.350 -0.001 0.000 0.285 566 T C -0.018 174.744 174.700 0.103 0.000 1.021 566 T CA -0.970 61.259 62.100 0.215 0.000 1.042 566 T CB 1.853 70.768 68.868 0.078 0.000 1.037 566 T HN -0.125 nan 8.240 nan 0.000 0.481 567 V N 3.736 123.353 119.914 -0.494 0.000 2.585 567 V HA 0.165 4.285 4.120 -0.001 0.000 0.296 567 V C 0.532 176.511 176.094 -0.192 0.000 1.035 567 V CA -0.279 61.636 62.300 -0.641 0.000 1.084 567 V CB 0.673 32.040 31.823 -0.760 0.000 0.953 567 V HN 0.831 nan 8.190 nan 0.000 0.483 568 Q N 2.971 122.729 119.800 -0.069 0.000 2.261 568 Q HA 0.328 4.667 4.340 -0.001 0.000 0.252 568 Q C -0.475 175.440 176.000 -0.142 0.000 0.915 568 Q CA -0.192 55.570 55.803 -0.067 0.000 0.915 568 Q CB 1.509 30.235 28.738 -0.020 0.000 1.204 568 Q HN 0.638 nan 8.270 nan 0.000 0.421 569 D N 3.080 123.394 120.400 -0.143 0.000 2.462 569 D HA 0.174 4.813 4.640 -0.001 0.000 0.249 569 D C 0.935 177.111 176.300 -0.207 0.000 1.117 569 D CA -0.234 53.642 54.000 -0.207 0.000 0.900 569 D CB 0.788 41.505 40.800 -0.137 0.000 1.039 569 D HN 0.563 nan 8.370 nan 0.000 0.516 570 I N 3.333 123.721 120.570 -0.302 0.000 2.248 570 I HA -0.354 3.815 4.170 -0.001 0.000 0.248 570 I C 1.361 177.413 176.117 -0.108 0.000 1.107 570 I CA 1.492 62.660 61.300 -0.220 0.000 1.373 570 I CB 0.125 37.970 38.000 -0.258 0.000 1.055 570 I HN 0.404 nan 8.210 nan 0.000 0.418 571 Y N 0.431 120.686 120.300 -0.076 0.000 2.181 571 Y HA -0.130 4.420 4.550 -0.001 0.000 0.288 571 Y C 2.576 178.429 175.900 -0.077 0.000 1.146 571 Y CA 0.968 59.019 58.100 -0.082 0.000 1.164 571 Y CB -1.746 36.668 38.460 -0.076 0.000 0.982 571 Y HN 0.168 nan 8.280 nan 0.000 0.515 572 G N 0.130 108.974 108.800 0.074 0.000 2.394 572 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.215 572 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.215 572 G C 1.699 176.593 174.900 -0.011 0.000 1.165 572 G CA 1.034 46.147 45.100 0.021 0.000 0.784 572 G HN 0.469 nan 8.290 nan 0.000 0.535 573 I N 0.605 121.157 120.570 -0.030 0.000 2.315 573 I HA -0.069 4.101 4.170 -0.001 0.000 0.248 573 I C 2.411 178.501 176.117 -0.044 0.000 1.117 573 I CA 1.107 62.384 61.300 -0.038 0.000 1.404 573 I CB -0.387 37.584 38.000 -0.048 0.000 1.071 573 I HN 0.006 nan 8.210 nan 0.000 0.419 574 V N 1.788 121.676 119.914 -0.043 0.000 2.427 574 V HA -0.199 3.920 4.120 -0.001 0.000 0.248 574 V C 2.975 179.023 176.094 -0.075 0.000 1.051 574 V CA 1.703 63.964 62.300 -0.064 0.000 1.048 574 V CB -1.793 29.993 31.823 -0.062 0.000 0.666 574 V HN 0.621 nan 8.190 nan 0.000 0.456 575 A N 0.484 123.272 122.820 -0.053 0.000 1.908 575 A HA -0.261 4.058 4.320 -0.001 0.000 0.218 575 A C 2.272 179.826 177.584 -0.050 0.000 1.181 575 A CA 2.163 54.165 52.037 -0.058 0.000 0.627 575 A CB -0.440 18.544 19.000 -0.025 0.000 0.818 575 A HN 0.594 nan 8.150 nan 0.000 0.445 576 K N 0.085 120.463 120.400 -0.036 0.000 1.991 576 K HA -0.165 4.155 4.320 -0.001 0.000 0.212 576 K C 2.055 178.631 176.600 -0.040 0.000 1.049 576 K CA 1.625 57.895 56.287 -0.029 0.000 0.932 576 K CB -0.254 32.231 32.500 -0.025 0.000 0.717 576 K HN 0.315 nan 8.250 nan 0.000 0.441 577 K N 0.841 121.209 120.400 -0.053 0.000 2.074 577 K HA -0.166 4.153 4.320 -0.001 0.000 0.209 577 K C 2.229 178.783 176.600 -0.076 0.000 1.048 577 K CA 1.596 57.844 56.287 -0.063 0.000 0.926 577 K CB -0.479 31.974 32.500 -0.079 0.000 0.713 577 K HN 0.021 nan 8.250 nan 0.000 0.444 578 V N 2.526 122.381 119.914 -0.098 0.000 2.295 578 V HA -0.251 3.869 4.120 -0.001 0.000 0.246 578 V C 1.939 177.982 176.094 -0.085 0.000 1.049 578 V CA 1.744 63.966 62.300 -0.130 0.000 1.024 578 V CB -0.594 31.115 31.823 -0.190 0.000 0.648 578 V HN 0.333 nan 8.190 nan 0.000 0.447 579 N N 0.272 118.944 118.700 -0.047 0.000 2.272 579 N HA -0.188 4.552 4.740 -0.001 0.000 0.185 579 N C 1.773 177.288 175.510 0.008 0.000 1.014 579 N CA 1.458 54.508 53.050 -0.001 0.000 0.870 579 N CB -0.221 38.275 38.487 0.014 0.000 0.975 579 N HN 0.655 nan 8.380 nan 0.000 0.433 580 E N 0.674 120.868 120.200 -0.010 0.000 2.110 580 E HA -0.070 4.279 4.350 -0.001 0.000 0.193 580 E C 1.955 178.558 176.600 0.004 0.000 0.988 580 E CA 0.680 57.078 56.400 -0.003 0.000 0.804 580 E CB -0.041 29.649 29.700 -0.016 0.000 0.745 580 E HN 0.390 nan 8.360 nan 0.000 0.458 581 I N 0.933 121.495 120.570 -0.013 0.000 2.353 581 I HA -0.223 3.947 4.170 -0.001 0.000 0.248 581 I C 2.309 178.456 176.117 0.050 0.000 1.119 581 I CA 0.738 62.037 61.300 -0.002 0.000 1.417 581 I CB -0.207 37.759 38.000 -0.057 0.000 1.078 581 I HN 0.103 nan 8.210 nan 0.000 0.421 582 L N 0.283 121.539 121.223 0.055 0.000 2.012 582 L HA -0.273 4.066 4.340 -0.001 0.000 0.210 582 L C 2.721 179.670 176.870 0.132 0.000 1.073 582 L CA 1.631 56.554 54.840 0.138 0.000 0.748 582 L CB -0.614 41.529 42.059 0.140 0.000 0.891 582 L HN 0.367 nan 8.230 nan 0.000 0.431 583 Q N -0.200 119.652 119.800 0.087 0.000 2.083 583 Q HA -0.182 4.158 4.340 -0.001 0.000 0.198 583 Q C 2.305 178.346 176.000 0.068 0.000 0.969 583 Q CA 1.441 57.289 55.803 0.074 0.000 0.838 583 Q CB -0.033 28.737 28.738 0.053 0.000 0.900 583 Q HN 0.515 nan 8.270 nan 0.000 0.436 584 A N 0.639 123.494 122.820 0.059 0.000 1.978 584 A HA -0.223 4.097 4.320 -0.001 0.000 0.220 584 A C 1.388 179.014 177.584 0.071 0.000 1.170 584 A CA 2.024 54.093 52.037 0.053 0.000 0.636 584 A CB -0.449 18.576 19.000 0.041 0.000 0.810 584 A HN 0.464 nan 8.150 nan 0.000 0.448 585 D N -0.879 119.583 120.400 0.103 0.000 2.249 585 D HA 0.218 4.858 4.640 -0.001 0.000 0.205 585 D C 2.162 178.522 176.300 0.100 0.000 0.962 585 D CA 0.910 54.985 54.000 0.126 0.000 0.860 585 D CB -0.070 40.864 40.800 0.224 0.000 0.955 585 D HN 0.407 nan 8.370 nan 0.000 0.505 586 A N 0.716 123.596 122.820 0.099 0.000 1.933 586 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 586 A C 1.867 179.483 177.584 0.054 0.000 1.175 586 A CA 0.955 53.038 52.037 0.077 0.000 0.628 586 A CB -0.400 18.648 19.000 0.080 0.000 0.814 586 A HN 0.118 nan 8.150 nan 0.000 0.444 587 I N 0.060 120.661 120.570 0.051 0.000 2.130 587 I HA -0.105 4.064 4.170 -0.001 0.000 0.234 587 I C 1.569 177.707 176.117 0.036 0.000 1.067 587 I CA 1.012 62.336 61.300 0.039 0.000 1.339 587 I CB -2.035 35.987 38.000 0.035 0.000 1.073 587 I HN 0.400 nan 8.210 nan 0.000 0.405 588 N N -0.157 118.567 118.700 0.041 0.000 2.607 588 N HA 0.409 5.149 4.740 -0.001 0.000 0.284 588 N C 0.300 175.837 175.510 0.045 0.000 1.365 588 N CA 0.310 53.383 53.050 0.038 0.000 0.862 588 N CB 0.136 38.645 38.487 0.037 0.000 1.107 588 N HN 0.402 nan 8.380 nan 0.000 0.463 589 G N 0.173 109.002 108.800 0.049 0.000 2.758 589 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.686 589 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.686 589 G C -0.175 174.748 174.900 0.037 0.000 1.389 589 G CA -0.302 44.832 45.100 0.057 0.000 0.845 589 G HN 0.655 nan 8.290 nan 0.000 0.572 590 T N -0.540 114.035 114.554 0.035 0.000 2.868 590 T HA 0.549 4.898 4.350 -0.001 0.000 0.292 590 T C 0.121 174.823 174.700 0.003 0.000 1.028 590 T CA 0.153 62.265 62.100 0.020 0.000 1.059 590 T CB 1.382 70.263 68.868 0.023 0.000 0.991 590 T HN 0.590 nan 8.240 nan 0.000 0.531 591 D N 1.582 121.983 120.400 0.002 0.000 2.340 591 D HA 0.234 4.874 4.640 -0.001 0.000 0.251 591 D C 0.518 176.811 176.300 -0.011 0.000 1.080 591 D CA -0.551 53.446 54.000 -0.005 0.000 0.971 591 D CB 0.786 41.586 40.800 -0.000 0.000 1.137 591 D HN 0.568 nan 8.370 nan 0.000 0.475 592 N N 0.808 119.499 118.700 -0.016 0.000 2.260 592 N HA 0.124 4.863 4.740 -0.001 0.000 0.230 592 N C -0.086 175.417 175.510 -0.011 0.000 1.323 592 N CA 0.501 53.540 53.050 -0.019 0.000 0.897 592 N CB 0.700 39.175 38.487 -0.021 0.000 1.146 592 N HN 0.501 nan 8.380 nan 0.000 0.460 593 E N -0.789 119.405 120.200 -0.011 0.000 2.537 593 E HA 0.172 4.522 4.350 -0.001 0.000 0.301 593 E C -2.100 174.497 176.600 -0.006 0.000 0.990 593 E CA -0.382 56.014 56.400 -0.006 0.000 0.828 593 E CB 1.020 30.718 29.700 -0.002 0.000 1.243 593 E HN 0.159 nan 8.360 nan 0.000 0.414 594 V N 4.685 124.596 119.914 -0.005 0.000 2.288 594 V HA 0.332 4.451 4.120 -0.001 0.000 0.266 594 V C 0.077 176.170 176.094 -0.002 0.000 1.048 594 V CA -0.591 61.706 62.300 -0.004 0.000 0.842 594 V CB 0.803 32.624 31.823 -0.005 0.000 1.064 594 V HN 0.535 nan 8.190 nan 0.000 0.472 595 V N 3.652 123.565 119.914 -0.001 0.000 3.036 595 V HA 0.362 4.482 4.120 -0.001 0.000 0.308 595 V C 0.750 176.844 176.094 0.001 0.000 1.070 595 V CA -0.324 61.977 62.300 0.001 0.000 1.056 595 V CB 1.756 33.580 31.823 0.003 0.000 1.084 595 V HN 0.794 nan 8.190 nan 0.000 0.471 596 T N 2.356 116.911 114.554 0.002 0.000 2.837 596 T HA 0.589 4.938 4.350 -0.001 0.000 0.285 596 T C -0.517 174.186 174.700 0.004 0.000 0.984 596 T CA -0.243 61.859 62.100 0.003 0.000 1.049 596 T CB 1.257 70.127 68.868 0.003 0.000 0.947 596 T HN 0.443 nan 8.240 nan 0.000 0.472 597 V N 3.125 123.041 119.914 0.004 0.000 2.525 597 V HA 0.443 4.563 4.120 -0.001 0.000 0.299 597 V C -0.062 176.037 176.094 0.008 0.000 1.034 597 V CA -0.878 61.426 62.300 0.006 0.000 0.863 597 V CB 2.079 33.905 31.823 0.005 0.000 0.999 597 V HN 0.921 nan 8.190 nan 0.000 0.423 598 T N 3.134 117.694 114.554 0.010 0.000 2.772 598 T HA 0.279 4.628 4.350 -0.001 0.000 0.288 598 T C -0.277 174.433 174.700 0.017 0.000 0.994 598 T CA -0.185 61.921 62.100 0.011 0.000 0.951 598 T CB 0.969 69.842 68.868 0.009 0.000 0.933 598 T HN 0.874 nan 8.240 nan 0.000 0.447 599 D N 2.285 122.698 120.400 0.020 0.000 2.506 599 D HA -0.023 4.617 4.640 -0.001 0.000 0.234 599 D C 1.306 177.627 176.300 0.035 0.000 1.143 599 D CA 0.257 54.276 54.000 0.031 0.000 0.871 599 D CB 0.820 41.642 40.800 0.035 0.000 1.190 599 D HN 0.376 nan 8.370 nan 0.000 0.459 600 E N 2.428 122.658 120.200 0.050 0.000 2.107 600 E HA -0.127 4.223 4.350 -0.001 0.000 0.191 600 E C 1.392 178.024 176.600 0.053 0.000 0.982 600 E CA 0.787 57.218 56.400 0.053 0.000 0.809 600 E CB -0.106 29.637 29.700 0.071 0.000 0.756 600 E HN 0.556 nan 8.360 nan 0.000 0.459 601 N N 0.222 118.970 118.700 0.080 0.000 2.148 601 N HA -0.062 4.678 4.740 -0.001 0.000 0.186 601 N C 1.784 177.295 175.510 0.001 0.000 1.031 601 N CA 1.281 54.358 53.050 0.045 0.000 0.848 601 N CB -0.625 37.950 38.487 0.146 0.000 1.005 601 N HN 0.040 nan 8.380 nan 0.000 0.427 602 T N -0.721 113.846 114.554 0.023 0.000 3.051 602 T HA 0.211 4.561 4.350 -0.001 0.000 0.255 602 T C 1.207 175.911 174.700 0.006 0.000 1.085 602 T CA 0.745 62.850 62.100 0.009 0.000 1.109 602 T CB -0.036 68.844 68.868 0.019 0.000 0.921 602 T HN 0.519 nan 8.240 nan 0.000 0.488 603 G N 2.432 111.239 108.800 0.011 0.000 2.153 603 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.252 603 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.252 603 G C -0.059 174.846 174.900 0.008 0.000 0.994 603 G CA 0.351 45.456 45.100 0.008 0.000 0.698 603 G HN 0.616 nan 8.290 nan 0.000 0.521 604 E N 0.533 120.740 120.200 0.011 0.000 2.366 604 E HA 0.284 4.634 4.350 -0.001 0.000 0.266 604 E C 0.670 177.275 176.600 0.009 0.000 1.015 604 E CA -0.754 55.652 56.400 0.010 0.000 0.906 604 E CB 0.164 29.872 29.700 0.013 0.000 0.979 604 E HN 0.183 nan 8.360 nan 0.000 0.443 605 I N 3.841 124.414 120.570 0.006 0.000 2.471 605 I HA 0.073 4.243 4.170 -0.001 0.000 0.286 605 I C 0.036 176.156 176.117 0.005 0.000 1.079 605 I CA 0.225 61.529 61.300 0.005 0.000 1.398 605 I CB 0.602 38.604 38.000 0.004 0.000 1.403 605 I HN 0.375 nan 8.210 nan 0.000 0.530 606 S N 5.482 121.185 115.700 0.005 0.000 2.549 606 S HA 0.450 4.919 4.470 -0.001 0.000 0.280 606 S C -0.586 174.015 174.600 0.002 0.000 1.109 606 S CA -0.932 57.270 58.200 0.003 0.000 0.905 606 S CB 2.375 65.578 63.200 0.004 0.000 1.081 606 S HN 0.465 nan 8.310 nan 0.000 0.477 607 E N 1.609 121.809 120.200 -0.000 0.000 2.134 607 E HA 0.392 4.741 4.350 -0.001 0.000 0.278 607 E C -0.950 175.647 176.600 -0.004 0.000 0.959 607 E CA -0.467 55.932 56.400 -0.002 0.000 0.783 607 E CB 1.095 30.793 29.700 -0.003 0.000 1.095 607 E HN 0.278 nan 8.360 nan 0.000 0.399 608 K N 1.971 122.369 120.400 -0.004 0.000 2.507 608 K HA 0.328 4.648 4.320 -0.001 0.000 0.251 608 K C -1.246 175.349 176.600 -0.008 0.000 0.943 608 K CA -0.764 55.519 56.287 -0.007 0.000 0.794 608 K CB 2.821 35.318 32.500 -0.006 0.000 1.188 608 K HN 0.215 nan 8.250 nan 0.000 0.428 609 V N 3.531 123.438 119.914 -0.011 0.000 2.432 609 V HA 0.143 4.263 4.120 -0.001 0.000 0.275 609 V C -0.058 176.026 176.094 -0.016 0.000 1.043 609 V CA -0.348 61.944 62.300 -0.013 0.000 0.925 609 V CB 0.931 32.745 31.823 -0.016 0.000 0.985 609 V HN 0.641 nan 8.190 nan 0.000 0.466 610 K N 7.660 128.052 120.400 -0.013 0.000 2.111 610 K HA 0.282 4.601 4.320 -0.001 0.000 0.249 610 K C -0.255 176.329 176.600 -0.026 0.000 1.157 610 K CA -0.409 55.869 56.287 -0.014 0.000 1.048 610 K CB -0.227 32.270 32.500 -0.005 0.000 1.498 610 K HN 0.717 nan 8.250 nan 0.000 0.344 611 L N 3.143 124.343 121.223 -0.038 0.000 2.640 611 L HA -0.052 4.288 4.340 -0.001 0.000 0.280 611 L C 1.240 178.063 176.870 -0.077 0.000 1.229 611 L CA 0.051 54.856 54.840 -0.059 0.000 0.919 611 L CB -0.021 41.992 42.059 -0.077 0.000 1.168 611 L HN 0.672 nan 8.230 nan 0.000 0.496 612 G N 1.237 109.994 108.800 -0.071 0.000 2.621 612 G HA2 0.244 4.203 3.960 -0.001 0.000 0.271 612 G HA3 0.244 4.203 3.960 -0.001 0.000 0.271 612 G C 1.125 175.936 174.900 -0.148 0.000 1.236 612 G CA 0.178 45.236 45.100 -0.071 0.000 0.958 612 G HN 0.776 nan 8.290 nan 0.000 0.512 613 T N -1.761 112.722 114.554 -0.118 0.000 2.788 613 T HA -0.168 4.181 4.350 -0.001 0.000 0.268 613 T C 2.048 176.672 174.700 -0.128 0.000 1.044 613 T CA 1.740 63.726 62.100 -0.190 0.000 1.139 613 T CB -0.260 68.656 68.868 0.079 0.000 0.867 613 T HN 0.503 nan 8.240 nan 0.000 0.454 614 K N 1.390 121.766 120.400 -0.040 0.000 2.020 614 K HA -0.076 4.244 4.320 -0.001 0.000 0.212 614 K C 2.662 179.247 176.600 -0.024 0.000 1.050 614 K CA 1.482 57.766 56.287 -0.005 0.000 0.929 614 K CB -0.666 31.835 32.500 0.002 0.000 0.714 614 K HN 0.453 nan 8.250 nan 0.000 0.443 615 A N 1.084 123.868 122.820 -0.059 0.000 1.873 615 A HA -0.110 4.210 4.320 -0.001 0.000 0.215 615 A C 2.141 179.678 177.584 -0.079 0.000 1.186 615 A CA 1.289 53.291 52.037 -0.058 0.000 0.616 615 A CB -0.626 18.336 19.000 -0.063 0.000 0.823 615 A HN 0.304 nan 8.150 nan 0.000 0.442 616 L N -0.650 120.461 121.223 -0.186 0.000 2.042 616 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 616 L C 3.114 180.002 176.870 0.029 0.000 1.076 616 L CA 1.156 55.858 54.840 -0.229 0.000 0.749 616 L CB -0.719 40.909 42.059 -0.718 0.000 0.893 616 L HN 0.437 nan 8.230 nan 0.000 0.432 617 A N 0.606 123.462 122.820 0.061 0.000 1.908 617 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 617 A C 2.437 180.174 177.584 0.254 0.000 1.181 617 A CA 1.901 54.136 52.037 0.329 0.000 0.627 617 A CB -1.395 17.758 19.000 0.254 0.000 0.818 617 A HN 0.458 nan 8.150 nan 0.000 0.445 618 G N -0.880 107.995 108.800 0.125 0.000 2.469 618 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.219 618 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.219 618 G C 1.608 176.564 174.900 0.093 0.000 1.150 618 G CA 1.099 46.254 45.100 0.091 0.000 0.763 618 G HN 0.676 nan 8.290 nan 0.000 0.561 619 Q N -0.730 119.107 119.800 0.061 0.000 2.020 619 Q HA -0.141 4.198 4.340 -0.001 0.000 0.202 619 Q C 2.411 178.483 176.000 0.120 0.000 0.982 619 Q CA 1.428 57.233 55.803 0.004 0.000 0.838 619 Q CB -0.265 28.438 28.738 -0.057 0.000 0.899 619 Q HN 0.727 nan 8.270 nan 0.000 0.423 620 W N 1.165 122.654 121.300 0.315 0.000 2.333 620 W HA -0.189 4.470 4.660 -0.001 0.000 0.316 620 W C 2.082 178.769 176.519 0.279 0.000 1.215 620 W CA 0.644 58.195 57.345 0.343 0.000 1.278 620 W CB -0.312 29.303 29.460 0.259 0.000 1.154 620 W HN 0.101 nan 8.180 nan 0.000 0.486 621 L N -0.022 121.454 121.223 0.422 0.000 2.042 621 L HA -0.255 4.084 4.340 -0.001 0.000 0.210 621 L C 2.645 179.631 176.870 0.195 0.000 1.076 621 L CA 1.372 56.370 54.840 0.264 0.000 0.749 621 L CB -1.542 40.628 42.059 0.184 0.000 0.893 621 L HN 0.024 nan 8.230 nan 0.000 0.432 622 A N -0.736 122.174 122.820 0.151 0.000 1.940 622 A HA -0.284 4.036 4.320 -0.001 0.000 0.219 622 A C 2.205 179.823 177.584 0.057 0.000 1.176 622 A CA 1.834 53.907 52.037 0.059 0.000 0.631 622 A CB -0.802 18.194 19.000 -0.008 0.000 0.814 622 A HN 0.531 nan 8.150 nan 0.000 0.446 623 Y N -0.236 120.074 120.300 0.017 0.000 2.269 623 Y HA 0.314 4.864 4.550 -0.001 0.000 0.294 623 Y C 1.078 177.059 175.900 0.136 0.000 1.120 623 Y CA 1.159 59.281 58.100 0.037 0.000 1.159 623 Y CB -0.081 38.497 38.460 0.198 0.000 1.024 623 Y HN 0.642 nan 8.280 nan 0.000 0.532 624 G N 1.151 110.134 108.800 0.305 0.000 3.055 624 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.654 624 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.654 624 G C -1.353 173.744 174.900 0.330 0.000 1.134 624 G CA -0.285 44.921 45.100 0.177 0.000 1.049 624 G HN 0.316 nan 8.290 nan 0.000 0.458 625 V N 3.007 123.112 119.914 0.318 0.000 2.461 625 V HA 0.855 4.975 4.120 -0.001 0.000 0.275 625 V C 1.046 177.210 176.094 0.116 0.000 1.047 625 V CA 0.693 63.139 62.300 0.243 0.000 0.955 625 V CB 1.098 32.986 31.823 0.108 0.000 0.988 625 V HN 1.498 nan 8.190 nan 0.000 0.471 626 T N 1.942 116.553 114.554 0.095 0.000 2.696 626 T HA 0.390 4.739 4.350 -0.001 0.000 0.291 626 T C 1.091 175.802 174.700 0.018 0.000 1.095 626 T CA -0.389 61.739 62.100 0.047 0.000 1.026 626 T CB 1.509 70.406 68.868 0.049 0.000 1.390 626 T HN 0.632 nan 8.240 nan 0.000 0.513 627 R N 0.801 121.311 120.500 0.018 0.000 2.139 627 R HA -0.096 4.244 4.340 -0.001 0.000 0.243 627 R C 1.779 178.057 176.300 -0.037 0.000 1.145 627 R CA 2.211 58.322 56.100 0.019 0.000 0.976 627 R CB -1.271 29.073 30.300 0.073 0.000 0.866 627 R HN 0.482 nan 8.270 nan 0.000 0.449 628 S N 0.852 116.541 115.700 -0.018 0.000 2.399 628 S HA -0.058 4.412 4.470 -0.001 0.000 0.231 628 S C 1.927 176.501 174.600 -0.042 0.000 1.022 628 S CA 1.290 59.470 58.200 -0.033 0.000 0.983 628 S CB -0.039 63.175 63.200 0.023 0.000 0.803 628 S HN 0.191 nan 8.310 nan 0.000 0.480 629 V N 1.966 121.868 119.914 -0.019 0.000 2.871 629 V HA -0.056 4.064 4.120 -0.001 0.000 0.256 629 V C 2.471 178.474 176.094 -0.152 0.000 1.082 629 V CA 1.781 64.047 62.300 -0.056 0.000 1.105 629 V CB -0.737 31.057 31.823 -0.048 0.000 0.713 629 V HN 0.785 nan 8.190 nan 0.000 0.473 630 T N -4.010 110.446 114.554 -0.162 0.000 2.971 630 T HA 0.087 4.437 4.350 -0.001 0.000 0.252 630 T C 1.666 176.219 174.700 -0.245 0.000 1.022 630 T CA 0.259 62.232 62.100 -0.212 0.000 0.980 630 T CB 0.243 69.011 68.868 -0.166 0.000 1.044 630 T HN 0.283 nan 8.240 nan 0.000 0.501 631 K N 1.513 121.713 120.400 -0.333 0.000 1.990 631 K HA -0.228 4.091 4.320 -0.001 0.000 0.225 631 K C 2.498 178.820 176.600 -0.462 0.000 1.053 631 K CA 1.839 57.706 56.287 -0.700 0.000 0.982 631 K CB -0.188 31.863 32.500 -0.748 0.000 0.734 631 K HN 0.208 nan 8.250 nan 0.000 0.448 632 R N 0.213 120.541 120.500 -0.286 0.000 2.113 632 R HA -0.149 4.191 4.340 -0.001 0.000 0.244 632 R C 2.589 178.845 176.300 -0.073 0.000 1.142 632 R CA 2.113 58.127 56.100 -0.144 0.000 0.953 632 R CB -0.459 29.798 30.300 -0.071 0.000 0.860 632 R HN 0.229 nan 8.270 nan 0.000 0.438 633 S N -0.162 115.468 115.700 -0.117 0.000 2.359 633 S HA -0.176 4.294 4.470 -0.001 0.000 0.223 633 S C 1.949 176.521 174.600 -0.046 0.000 1.039 633 S CA 1.557 59.674 58.200 -0.138 0.000 1.042 633 S CB -0.402 62.368 63.200 -0.716 0.000 0.915 633 S HN 0.316 nan 8.310 nan 0.000 0.439 634 V N 3.040 122.892 119.914 -0.105 0.000 2.548 634 V HA -0.071 4.049 4.120 -0.001 0.000 0.249 634 V C 1.923 178.068 176.094 0.086 0.000 1.055 634 V CA 1.951 64.271 62.300 0.034 0.000 1.065 634 V CB -0.561 31.316 31.823 0.089 0.000 0.681 634 V HN 0.716 nan 8.190 nan 0.000 0.462 635 M N 0.201 119.827 119.600 0.044 0.000 2.595 635 M HA 0.066 4.546 4.480 -0.001 0.000 0.248 635 M C 1.448 177.679 176.300 -0.115 0.000 1.119 635 M CA 1.670 56.974 55.300 0.007 0.000 1.079 635 M CB -0.632 31.972 32.600 0.007 0.000 1.472 635 M HN 0.444 nan 8.290 nan 0.000 0.501 636 T N -2.210 112.335 114.554 -0.016 0.000 3.092 636 T HA 0.195 4.545 4.350 -0.001 0.000 0.258 636 T C 1.331 176.080 174.700 0.083 0.000 1.031 636 T CA -0.325 61.767 62.100 -0.013 0.000 0.925 636 T CB -0.029 68.931 68.868 0.154 0.000 1.036 636 T HN 0.329 nan 8.240 nan 0.000 0.544 637 L N 1.945 123.249 121.223 0.134 0.000 2.046 637 L HA 0.283 4.623 4.340 -0.001 0.000 0.208 637 L C 2.557 179.542 176.870 0.192 0.000 1.077 637 L CA 1.841 56.823 54.840 0.238 0.000 0.747 637 L CB -0.822 41.403 42.059 0.277 0.000 0.896 637 L HN 0.369 nan 8.230 nan 0.000 0.432 638 A N -2.210 120.665 122.820 0.091 0.000 2.239 638 A HA -0.090 4.230 4.320 -0.001 0.000 0.209 638 A C 1.086 178.856 177.584 0.310 0.000 1.171 638 A CA 0.605 52.746 52.037 0.173 0.000 0.768 638 A CB -0.715 18.313 19.000 0.046 0.000 0.790 638 A HN 0.561 nan 8.150 nan 0.000 0.478 639 Y N -1.380 119.018 120.300 0.164 0.000 2.507 639 Y HA 0.379 4.929 4.550 -0.001 0.000 0.254 639 Y C 1.770 177.717 175.900 0.078 0.000 1.171 639 Y CA -0.408 57.760 58.100 0.113 0.000 1.238 639 Y CB -0.105 38.410 38.460 0.091 0.000 1.148 639 Y HN 0.401 nan 8.280 nan 0.000 0.525 640 G N -0.229 108.707 108.800 0.227 0.000 2.195 640 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.224 640 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.224 640 G C 0.315 175.217 174.900 0.004 0.000 0.990 640 G CA 0.135 45.298 45.100 0.105 0.000 0.639 640 G HN 0.367 nan 8.290 nan 0.000 0.514 641 S N 0.094 115.810 115.700 0.027 0.000 2.564 641 S HA 0.752 5.222 4.470 -0.001 0.000 0.278 641 S C 0.175 174.533 174.600 -0.404 0.000 1.333 641 S CA 0.430 58.546 58.200 -0.140 0.000 1.048 641 S CB 2.381 65.571 63.200 -0.017 0.000 0.900 641 S HN 0.627 nan 8.310 nan 0.000 0.505 642 K N 0.516 120.427 120.400 -0.815 0.000 2.054 642 K HA 0.367 4.686 4.320 -0.001 0.000 0.248 642 K C 1.138 176.729 176.600 -1.681 0.000 1.019 642 K CA -0.976 54.530 56.287 -1.302 0.000 0.855 642 K CB 0.484 32.346 32.500 -1.063 0.000 1.473 642 K HN 0.671 nan 8.250 nan 0.000 0.483 643 E N 0.787 120.235 120.200 -1.253 0.000 2.045 643 E HA -0.287 4.063 4.350 -0.001 0.000 0.212 643 E C 1.730 178.131 176.600 -0.332 0.000 1.039 643 E CA 2.127 58.204 56.400 -0.539 0.000 0.860 643 E CB -0.192 29.278 29.700 -0.384 0.000 0.776 643 E HN 0.448 nan 8.360 nan 0.000 0.467 644 F N 0.556 120.255 119.950 -0.418 0.000 2.045 644 F HA -0.284 4.243 4.527 -0.000 0.000 0.297 644 F C 2.141 177.796 175.800 -0.241 0.000 1.114 644 F CA 2.195 60.038 58.000 -0.262 0.000 1.207 644 F CB -0.668 38.184 39.000 -0.246 0.000 0.964 644 F HN 0.124 nan 8.300 nan 0.000 0.486 645 G N -0.822 108.030 108.800 0.086 0.000 2.462 645 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.220 645 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.220 645 G C 1.348 176.259 174.900 0.018 0.000 1.121 645 G CA 0.816 45.936 45.100 0.033 0.000 0.758 645 G HN 0.395 nan 8.290 nan 0.000 0.559 646 F N 0.862 120.812 119.950 0.001 0.000 2.325 646 F HA 0.168 4.695 4.527 -0.001 0.000 0.299 646 F C 2.674 178.440 175.800 -0.057 0.000 1.090 646 F CA 0.135 58.120 58.000 -0.024 0.000 1.392 646 F CB -0.541 38.447 39.000 -0.020 0.000 1.053 646 F HN 0.044 nan 8.300 nan 0.000 0.521 647 R N 0.130 120.666 120.500 0.060 0.000 2.094 647 R HA -0.257 4.083 4.340 -0.001 0.000 0.239 647 R C 2.189 178.472 176.300 -0.028 0.000 1.137 647 R CA 1.959 58.041 56.100 -0.030 0.000 0.943 647 R CB -0.733 29.464 30.300 -0.171 0.000 0.850 647 R HN 0.241 nan 8.270 nan 0.000 0.433 648 Q N 1.013 120.788 119.800 -0.042 0.000 2.061 648 Q HA -0.215 4.124 4.340 -0.001 0.000 0.204 648 Q C 2.034 178.041 176.000 0.012 0.000 0.984 648 Q CA 1.907 57.698 55.803 -0.020 0.000 0.846 648 Q CB -0.026 28.712 28.738 -0.001 0.000 0.902 648 Q HN 0.372 nan 8.270 nan 0.000 0.421 649 Q N -0.906 118.923 119.800 0.050 0.000 2.030 649 Q HA -0.168 4.172 4.340 -0.001 0.000 0.204 649 Q C 2.214 178.224 176.000 0.018 0.000 0.986 649 Q CA 1.867 57.700 55.803 0.050 0.000 0.843 649 Q CB -0.316 28.480 28.738 0.097 0.000 0.904 649 Q HN 0.277 nan 8.270 nan 0.000 0.420 650 V N 1.485 121.408 119.914 0.015 0.000 2.295 650 V HA -0.240 3.879 4.120 -0.001 0.000 0.246 650 V C 2.209 178.296 176.094 -0.011 0.000 1.049 650 V CA 1.360 63.656 62.300 -0.007 0.000 1.024 650 V CB -0.568 31.247 31.823 -0.015 0.000 0.648 650 V HN 0.446 nan 8.190 nan 0.000 0.447 651 L N 1.115 122.326 121.223 -0.021 0.000 2.079 651 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 651 L C 2.336 179.182 176.870 -0.040 0.000 1.081 651 L CA 2.794 57.604 54.840 -0.050 0.000 0.752 651 L CB -0.768 41.261 42.059 -0.050 0.000 0.896 651 L HN 0.723 nan 8.230 nan 0.000 0.433 652 E N -2.928 117.261 120.200 -0.018 0.000 2.498 652 E HA -0.010 4.340 4.350 -0.001 0.000 0.203 652 E C 0.777 177.380 176.600 0.004 0.000 1.013 652 E CA -0.008 56.387 56.400 -0.008 0.000 0.927 652 E CB 0.157 29.855 29.700 -0.003 0.000 1.012 652 E HN 0.331 nan 8.360 nan 0.000 0.482 653 D N 0.938 121.341 120.400 0.005 0.000 2.388 653 D HA -0.009 4.631 4.640 -0.001 0.000 0.208 653 D C 1.563 177.884 176.300 0.035 0.000 1.035 653 D CA 1.622 55.630 54.000 0.014 0.000 0.875 653 D CB 1.107 41.908 40.800 0.000 0.000 0.984 653 D HN 0.383 nan 8.370 nan 0.000 0.508 654 T N -2.563 112.009 114.554 0.030 0.000 3.449 654 T HA 0.153 4.502 4.350 -0.001 0.000 0.268 654 T C 2.126 176.833 174.700 0.011 0.000 0.996 654 T CA -0.184 61.956 62.100 0.068 0.000 1.125 654 T CB -0.312 68.607 68.868 0.084 0.000 1.172 654 T HN -0.081 nan 8.240 nan 0.000 0.430 655 I N 1.949 122.445 120.570 -0.122 0.000 2.151 655 I HA -0.216 3.953 4.170 -0.001 0.000 0.243 655 I C 2.917 179.020 176.117 -0.023 0.000 1.080 655 I CA 2.076 63.230 61.300 -0.242 0.000 1.339 655 I CB -0.428 37.337 38.000 -0.393 0.000 1.039 655 I HN 0.335 nan 8.210 nan 0.000 0.409 656 Q N 1.421 121.209 119.800 -0.020 0.000 1.942 656 Q HA -0.152 4.187 4.340 -0.001 0.000 0.203 656 Q C -0.582 175.440 176.000 0.036 0.000 0.987 656 Q CA 2.405 58.209 55.803 0.002 0.000 0.844 656 Q CB -1.227 27.506 28.738 -0.007 0.000 0.911 656 Q HN 0.270 nan 8.270 nan 0.000 0.423 657 P HA -0.256 nan 4.420 nan 0.000 0.217 657 P C 0.717 178.077 177.300 0.100 0.000 1.151 657 P CA 2.150 65.290 63.100 0.067 0.000 0.849 657 P CB -0.217 31.528 31.700 0.075 0.000 0.787 658 A N 0.654 123.573 122.820 0.165 0.000 1.849 658 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 658 A C 2.475 180.139 177.584 0.134 0.000 1.202 658 A CA 2.219 54.401 52.037 0.242 0.000 0.629 658 A CB -1.631 17.633 19.000 0.441 0.000 0.834 658 A HN 0.158 nan 8.150 nan 0.000 0.447 659 I N 0.006 120.641 120.570 0.109 0.000 2.179 659 I HA -0.243 3.927 4.170 -0.001 0.000 0.242 659 I C 1.615 177.726 176.117 -0.009 0.000 1.088 659 I CA 1.640 62.961 61.300 0.035 0.000 1.357 659 I CB -0.734 37.281 38.000 0.025 0.000 1.051 659 I HN 0.287 nan 8.210 nan 0.000 0.409 660 D N 0.407 120.800 120.400 -0.012 0.000 2.309 660 D HA -0.107 4.532 4.640 -0.001 0.000 0.212 660 D C 1.932 178.231 176.300 -0.002 0.000 0.968 660 D CA 0.978 54.954 54.000 -0.041 0.000 0.882 660 D CB -0.122 40.659 40.800 -0.031 0.000 0.918 660 D HN 0.191 nan 8.370 nan 0.000 0.503 661 S N -1.297 114.418 115.700 0.026 0.000 2.577 661 S HA 0.373 4.842 4.470 -0.001 0.000 0.219 661 S C 1.562 176.177 174.600 0.026 0.000 0.962 661 S CA 0.354 58.575 58.200 0.036 0.000 0.921 661 S CB 1.057 64.286 63.200 0.049 0.000 0.789 661 S HN 0.476 nan 8.310 nan 0.000 0.497 662 G N 1.808 110.615 108.800 0.012 0.000 2.493 662 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.206 662 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.206 662 G C 0.462 175.353 174.900 -0.014 0.000 1.109 662 G CA 0.134 45.234 45.100 0.001 0.000 0.689 662 G HN 0.426 nan 8.290 nan 0.000 0.516 663 K N 0.614 121.012 120.400 -0.004 0.000 2.943 663 K HA 0.387 4.706 4.320 -0.001 0.000 0.332 663 K C 1.812 178.384 176.600 -0.046 0.000 1.060 663 K CA 1.202 57.473 56.287 -0.026 0.000 1.052 663 K CB -0.712 31.793 32.500 0.009 0.000 1.033 663 K HN 1.616 nan 8.250 nan 0.000 0.440 664 G N -0.071 108.667 108.800 -0.102 0.000 2.196 664 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.268 664 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.268 664 G C 0.833 175.541 174.900 -0.320 0.000 0.975 664 G CA 0.985 45.941 45.100 -0.239 0.000 0.648 664 G HN 0.446 nan 8.290 nan 0.000 0.538 665 L N 0.302 121.377 121.223 -0.247 0.000 2.127 665 L HA -0.163 4.176 4.340 -0.001 0.000 0.211 665 L C 3.274 179.999 176.870 -0.242 0.000 1.089 665 L CA 2.038 56.767 54.840 -0.186 0.000 0.757 665 L CB -0.723 41.254 42.059 -0.136 0.000 0.899 665 L HN 0.546 nan 8.230 nan 0.000 0.434 666 M N -0.963 118.385 119.600 -0.420 0.000 2.374 666 M HA -0.070 4.409 4.480 -0.001 0.000 0.264 666 M C 0.613 176.739 176.300 -0.289 0.000 1.067 666 M CA 1.411 56.479 55.300 -0.386 0.000 1.103 666 M CB -1.360 30.960 32.600 -0.467 0.000 1.402 666 M HN -0.022 nan 8.290 nan 0.000 0.444 667 F N 2.993 122.831 119.950 -0.188 0.000 2.661 667 F HA 0.317 4.844 4.527 -0.001 0.000 0.356 667 F C 1.614 177.320 175.800 -0.157 0.000 1.244 667 F CA -0.476 57.383 58.000 -0.235 0.000 1.290 667 F CB -1.400 37.429 39.000 -0.286 0.000 1.677 667 F HN 0.129 nan 8.300 nan 0.000 0.649 668 T N -0.380 114.189 114.554 0.025 0.000 2.674 668 T HA -0.210 4.140 4.350 -0.001 0.000 0.265 668 T C 1.063 175.758 174.700 -0.009 0.000 1.039 668 T CA 1.461 63.556 62.100 -0.009 0.000 1.150 668 T CB -0.113 68.739 68.868 -0.026 0.000 0.864 668 T HN 0.186 nan 8.240 nan 0.000 0.427 669 Q N 0.540 120.330 119.800 -0.016 0.000 2.626 669 Q HA 0.311 4.651 4.340 -0.001 0.000 0.239 669 Q C -1.999 173.972 176.000 -0.048 0.000 1.101 669 Q CA -2.336 53.450 55.803 -0.029 0.000 0.918 669 Q CB 1.506 30.226 28.738 -0.030 0.000 1.151 669 Q HN 0.127 nan 8.270 nan 0.000 0.531 670 P HA -0.293 nan 4.420 nan 0.000 0.221 670 P C 0.512 177.752 177.300 -0.100 0.000 1.160 670 P CA 1.481 64.518 63.100 -0.104 0.000 0.933 670 P CB 0.404 32.060 31.700 -0.072 0.000 0.793 671 N N -1.326 117.337 118.700 -0.063 0.000 2.104 671 N HA -0.168 4.571 4.740 -0.001 0.000 0.190 671 N C 1.796 177.293 175.510 -0.023 0.000 1.024 671 N CA 1.228 54.248 53.050 -0.049 0.000 0.853 671 N CB -0.650 37.810 38.487 -0.046 0.000 1.008 671 N HN 0.321 nan 8.380 nan 0.000 0.424 672 Q N -0.449 119.340 119.800 -0.019 0.000 2.124 672 Q HA -0.005 4.335 4.340 -0.001 0.000 0.202 672 Q C 1.967 178.005 176.000 0.062 0.000 0.977 672 Q CA 1.427 57.236 55.803 0.010 0.000 0.850 672 Q CB -0.103 28.626 28.738 -0.014 0.000 0.901 672 Q HN 0.438 nan 8.270 nan 0.000 0.429 673 A N 0.759 123.584 122.820 0.009 0.000 1.929 673 A HA -0.003 4.317 4.320 -0.001 0.000 0.216 673 A C 2.229 179.978 177.584 0.276 0.000 1.176 673 A CA 1.320 53.390 52.037 0.056 0.000 0.628 673 A CB -0.546 18.238 19.000 -0.360 0.000 0.816 673 A HN 0.374 nan 8.150 nan 0.000 0.444 674 A N -0.382 122.499 122.820 0.101 0.000 1.897 674 A HA 0.194 4.513 4.320 -0.001 0.000 0.215 674 A C 2.377 180.029 177.584 0.114 0.000 1.181 674 A CA 1.719 53.828 52.037 0.119 0.000 0.620 674 A CB -1.307 17.695 19.000 0.002 0.000 0.821 674 A HN 0.670 nan 8.150 nan 0.000 0.443 675 G N -1.591 107.264 108.800 0.091 0.000 2.418 675 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.217 675 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.217 675 G C 1.541 176.531 174.900 0.151 0.000 1.158 675 G CA 1.309 46.455 45.100 0.076 0.000 0.771 675 G HN 0.535 nan 8.290 nan 0.000 0.545 676 Y N 0.581 120.935 120.300 0.090 0.000 2.114 676 Y HA -0.108 4.441 4.550 -0.001 0.000 0.284 676 Y C 2.734 178.662 175.900 0.047 0.000 1.143 676 Y CA 2.092 60.257 58.100 0.110 0.000 1.135 676 Y CB -0.332 38.249 38.460 0.203 0.000 0.980 676 Y HN 0.211 nan 8.280 nan 0.000 0.499 677 M N 0.634 120.236 119.600 0.003 0.000 2.108 677 M HA -0.123 4.356 4.480 -0.001 0.000 0.261 677 M C 2.228 178.385 176.300 -0.237 0.000 1.066 677 M CA 2.053 57.122 55.300 -0.384 0.000 1.107 677 M CB -1.165 31.107 32.600 -0.547 0.000 1.356 677 M HN 0.317 nan 8.290 nan 0.000 0.406 678 A N -0.436 122.357 122.820 -0.046 0.000 1.883 678 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 678 A C 2.217 179.894 177.584 0.155 0.000 1.186 678 A CA 2.307 54.411 52.037 0.112 0.000 0.624 678 A CB -0.831 18.260 19.000 0.152 0.000 0.822 678 A HN 0.521 nan 8.150 nan 0.000 0.444 679 K N -0.769 119.666 120.400 0.059 0.000 2.074 679 K HA -0.134 4.185 4.320 -0.001 0.000 0.209 679 K C 1.603 178.211 176.600 0.013 0.000 1.048 679 K CA 1.530 57.863 56.287 0.077 0.000 0.926 679 K CB -0.405 32.099 32.500 0.006 0.000 0.713 679 K HN 0.324 nan 8.250 nan 0.000 0.444 680 L N 0.377 121.485 121.223 -0.191 0.000 2.072 680 L HA 0.017 4.357 4.340 -0.001 0.000 0.205 680 L C 2.044 178.821 176.870 -0.155 0.000 1.079 680 L CA 1.377 56.075 54.840 -0.236 0.000 0.752 680 L CB -0.447 41.358 42.059 -0.423 0.000 0.906 680 L HN 0.190 nan 8.230 nan 0.000 0.436 681 I N -2.055 118.422 120.570 -0.155 0.000 2.394 681 I HA -0.336 3.834 4.170 -0.001 0.000 0.251 681 I C 2.409 178.529 176.117 0.005 0.000 1.136 681 I CA 1.255 62.442 61.300 -0.187 0.000 1.425 681 I CB -0.478 37.283 38.000 -0.398 0.000 1.079 681 I HN 0.471 nan 8.210 nan 0.000 0.425 682 W N 2.612 123.929 121.300 0.028 0.000 2.379 682 W HA -0.187 4.472 4.660 -0.001 0.000 0.307 682 W C 2.115 178.671 176.519 0.062 0.000 1.200 682 W CA 1.343 58.805 57.345 0.195 0.000 1.297 682 W CB 0.020 29.623 29.460 0.238 0.000 1.140 682 W HN 0.135 nan 8.180 nan 0.000 0.507 683 E N 0.146 120.268 120.200 -0.129 0.000 2.153 683 E HA -0.171 4.179 4.350 -0.001 0.000 0.194 683 E C 2.232 178.673 176.600 -0.264 0.000 0.988 683 E CA 1.559 57.792 56.400 -0.278 0.000 0.811 683 E CB -0.272 29.352 29.700 -0.127 0.000 0.746 683 E HN 0.097 nan 8.360 nan 0.000 0.466 684 S N 0.359 115.943 115.700 -0.193 0.000 2.395 684 S HA -0.100 4.369 4.470 -0.001 0.000 0.225 684 S C 2.301 176.795 174.600 -0.177 0.000 1.027 684 S CA 1.095 59.195 58.200 -0.167 0.000 0.965 684 S CB 0.062 63.175 63.200 -0.144 0.000 0.812 684 S HN 0.242 nan 8.310 nan 0.000 0.482 685 V N 1.257 121.055 119.914 -0.194 0.000 2.488 685 V HA -0.019 4.101 4.120 -0.001 0.000 0.246 685 V C 2.295 178.239 176.094 -0.250 0.000 1.046 685 V CA 1.476 63.681 62.300 -0.158 0.000 1.053 685 V CB -1.457 30.344 31.823 -0.036 0.000 0.679 685 V HN 0.567 nan 8.190 nan 0.000 0.458 686 S N 1.852 117.252 115.700 -0.500 0.000 2.500 686 S HA -0.095 4.375 4.470 -0.001 0.000 0.239 686 S C 1.635 176.054 174.600 -0.300 0.000 0.989 686 S CA 1.395 59.261 58.200 -0.556 0.000 0.951 686 S CB -0.493 62.146 63.200 -0.934 0.000 0.759 686 S HN 1.146 nan 8.310 nan 0.000 0.523 687 V N -2.797 116.976 119.914 -0.236 0.000 3.528 687 V HA 0.366 4.486 4.120 -0.001 0.000 0.294 687 V C 1.358 177.384 176.094 -0.114 0.000 1.404 687 V CA 0.517 62.724 62.300 -0.155 0.000 1.065 687 V CB -0.285 31.454 31.823 -0.140 0.000 0.904 687 V HN 0.396 nan 8.190 nan 0.000 0.435 688 T N 1.319 115.805 114.554 -0.113 0.000 3.042 688 T HA 0.203 4.552 4.350 -0.001 0.000 0.245 688 T C 0.982 175.644 174.700 -0.064 0.000 1.029 688 T CA 1.327 63.378 62.100 -0.081 0.000 1.120 688 T CB 0.589 69.411 68.868 -0.077 0.000 0.917 688 T HN 0.596 nan 8.240 nan 0.000 0.467 689 V N 1.025 120.902 119.914 -0.063 0.000 2.727 689 V HA 0.382 4.502 4.120 -0.001 0.000 0.336 689 V C 1.567 177.640 176.094 -0.036 0.000 1.228 689 V CA -0.754 61.528 62.300 -0.030 0.000 1.270 689 V CB -0.557 31.270 31.823 0.007 0.000 1.486 689 V HN 0.143 nan 8.190 nan 0.000 0.638 690 V N 1.149 121.026 119.914 -0.062 0.000 2.277 690 V HA -0.369 3.750 4.120 -0.001 0.000 0.255 690 V C 2.969 179.034 176.094 -0.048 0.000 1.074 690 V CA 2.937 65.195 62.300 -0.069 0.000 1.058 690 V CB -1.377 30.407 31.823 -0.065 0.000 0.656 690 V HN 0.762 nan 8.190 nan 0.000 0.449 691 A N 0.384 123.185 122.820 -0.033 0.000 1.859 691 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 691 A C 2.501 180.058 177.584 -0.045 0.000 1.198 691 A CA 2.943 54.963 52.037 -0.028 0.000 0.629 691 A CB -1.186 17.815 19.000 0.002 0.000 0.830 691 A HN 0.755 nan 8.150 nan 0.000 0.446 692 A N -0.830 122.005 122.820 0.024 0.000 1.917 692 A HA -0.074 4.246 4.320 -0.001 0.000 0.219 692 A C 2.255 179.798 177.584 -0.069 0.000 1.182 692 A CA 2.110 54.175 52.037 0.046 0.000 0.633 692 A CB -1.012 18.117 19.000 0.215 0.000 0.819 692 A HN 0.485 nan 8.150 nan 0.000 0.448 693 V N -0.103 119.810 119.914 -0.001 0.000 2.358 693 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 693 V C 2.423 178.522 176.094 0.009 0.000 1.047 693 V CA 2.119 64.451 62.300 0.053 0.000 1.035 693 V CB -0.767 31.076 31.823 0.032 0.000 0.658 693 V HN 0.617 nan 8.190 nan 0.000 0.452 694 E N 0.461 120.639 120.200 -0.037 0.000 2.028 694 E HA -0.170 4.179 4.350 -0.001 0.000 0.191 694 E C 2.399 178.973 176.600 -0.045 0.000 0.988 694 E CA 1.279 57.665 56.400 -0.023 0.000 0.799 694 E CB -0.354 29.322 29.700 -0.040 0.000 0.755 694 E HN 0.558 nan 8.360 nan 0.000 0.447 695 A N 1.698 124.413 122.820 -0.175 0.000 1.892 695 A HA -0.238 4.082 4.320 -0.001 0.000 0.218 695 A C 2.246 179.702 177.584 -0.213 0.000 1.188 695 A CA 1.843 53.741 52.037 -0.231 0.000 0.631 695 A CB -0.620 18.059 19.000 -0.536 0.000 0.822 695 A HN 0.155 nan 8.150 nan 0.000 0.447 696 M N -0.575 118.803 119.600 -0.371 0.000 2.159 696 M HA -0.158 4.322 4.480 -0.001 0.000 0.263 696 M C 1.914 178.199 176.300 -0.025 0.000 1.063 696 M CA 1.361 56.558 55.300 -0.171 0.000 1.110 696 M CB -0.734 31.821 32.600 -0.076 0.000 1.374 696 M HN 0.462 nan 8.290 nan 0.000 0.411 697 N N -0.296 118.417 118.700 0.022 0.000 2.120 697 N HA -0.191 4.549 4.740 -0.001 0.000 0.188 697 N C 1.429 176.992 175.510 0.089 0.000 1.024 697 N CA 1.465 54.552 53.050 0.063 0.000 0.852 697 N CB -0.229 38.315 38.487 0.094 0.000 1.003 697 N HN 0.446 nan 8.380 nan 0.000 0.424 698 W N 2.338 123.600 121.300 -0.064 0.000 2.352 698 W HA -0.069 4.591 4.660 -0.001 0.000 0.322 698 W C 2.176 178.654 176.519 -0.069 0.000 1.208 698 W CA 1.100 58.422 57.345 -0.038 0.000 1.286 698 W CB -0.809 28.636 29.460 -0.025 0.000 1.167 698 W HN -0.059 nan 8.180 nan 0.000 0.469 699 L N 0.941 122.112 121.223 -0.086 0.000 2.137 699 L HA -0.301 4.039 4.340 -0.001 0.000 0.213 699 L C 2.595 179.279 176.870 -0.311 0.000 1.085 699 L CA 2.151 56.769 54.840 -0.371 0.000 0.760 699 L CB -1.028 40.847 42.059 -0.306 0.000 0.893 699 L HN 0.089 nan 8.230 nan 0.000 0.434 700 K N 0.117 120.415 120.400 -0.170 0.000 2.103 700 K HA -0.136 4.184 4.320 -0.001 0.000 0.204 700 K C 2.229 178.724 176.600 -0.174 0.000 1.052 700 K CA 1.495 57.704 56.287 -0.131 0.000 0.945 700 K CB 0.048 32.511 32.500 -0.063 0.000 0.722 700 K HN 0.348 nan 8.250 nan 0.000 0.443 701 S N 0.846 116.430 115.700 -0.194 0.000 2.383 701 S HA -0.070 4.399 4.470 -0.001 0.000 0.227 701 S C 2.239 176.661 174.600 -0.297 0.000 1.026 701 S CA 0.797 58.885 58.200 -0.187 0.000 0.981 701 S CB -0.368 62.765 63.200 -0.112 0.000 0.818 701 S HN 0.429 nan 8.310 nan 0.000 0.472 702 A N 2.531 125.041 122.820 -0.518 0.000 1.858 702 A HA 0.203 4.522 4.320 -0.001 0.000 0.216 702 A C 2.539 179.775 177.584 -0.579 0.000 1.190 702 A CA 1.852 53.425 52.037 -0.773 0.000 0.617 702 A CB -1.545 16.682 19.000 -1.289 0.000 0.827 702 A HN 0.721 nan 8.150 nan 0.000 0.443 703 A N -0.396 122.179 122.820 -0.407 0.000 1.978 703 A HA -0.201 4.119 4.320 -0.001 0.000 0.220 703 A C 2.128 179.607 177.584 -0.174 0.000 1.170 703 A CA 2.093 53.992 52.037 -0.229 0.000 0.636 703 A CB -0.479 18.450 19.000 -0.117 0.000 0.810 703 A HN 0.592 nan 8.150 nan 0.000 0.448 704 K N -0.117 120.175 120.400 -0.180 0.000 1.985 704 K HA -0.123 4.196 4.320 -0.001 0.000 0.210 704 K C 1.933 178.457 176.600 -0.126 0.000 1.047 704 K CA 1.593 57.795 56.287 -0.140 0.000 0.932 704 K CB -0.395 32.029 32.500 -0.127 0.000 0.716 704 K HN 0.488 nan 8.250 nan 0.000 0.439 705 L N 1.154 122.296 121.223 -0.135 0.000 1.955 705 L HA -0.246 4.093 4.340 -0.001 0.000 0.213 705 L C 2.638 179.461 176.870 -0.079 0.000 1.072 705 L CA 1.357 56.144 54.840 -0.088 0.000 0.755 705 L CB -0.722 41.294 42.059 -0.072 0.000 0.888 705 L HN 0.236 nan 8.230 nan 0.000 0.432 706 L N -0.136 121.014 121.223 -0.122 0.000 2.137 706 L HA -0.265 4.074 4.340 -0.001 0.000 0.213 706 L C 2.442 179.279 176.870 -0.055 0.000 1.085 706 L CA 1.333 56.121 54.840 -0.088 0.000 0.760 706 L CB -0.609 41.355 42.059 -0.159 0.000 0.893 706 L HN 0.348 nan 8.230 nan 0.000 0.434 707 A N -0.868 121.911 122.820 -0.068 0.000 2.275 707 A HA 0.461 4.780 4.320 -0.001 0.000 0.212 707 A C 1.122 178.671 177.584 -0.059 0.000 1.201 707 A CA 0.375 52.382 52.037 -0.051 0.000 0.843 707 A CB -0.271 18.699 19.000 -0.050 0.000 0.873 707 A HN 0.261 nan 8.150 nan 0.000 0.492 708 A N 0.110 122.894 122.820 -0.060 0.000 2.332 708 A HA 0.492 4.811 4.320 -0.001 0.000 0.258 708 A C 0.231 177.787 177.584 -0.047 0.000 1.087 708 A CA -0.165 51.837 52.037 -0.058 0.000 0.802 708 A CB 0.172 19.141 19.000 -0.051 0.000 1.042 708 A HN 0.386 nan 8.150 nan 0.000 0.489 709 E N 1.508 121.678 120.200 -0.049 0.000 2.731 709 E HA 0.345 4.695 4.350 -0.001 0.000 0.220 709 E C -0.560 176.001 176.600 -0.065 0.000 1.087 709 E CA -0.480 55.889 56.400 -0.052 0.000 1.020 709 E CB 0.610 30.284 29.700 -0.044 0.000 1.339 709 E HN 0.619 nan 8.360 nan 0.000 0.444 710 V N 3.396 123.261 119.914 -0.081 0.000 2.540 710 V HA 0.158 4.278 4.120 -0.001 0.000 0.297 710 V C -0.760 175.236 176.094 -0.162 0.000 1.024 710 V CA 0.594 62.825 62.300 -0.115 0.000 1.105 710 V CB 0.425 32.167 31.823 -0.136 0.000 0.938 710 V HN 0.515 nan 8.190 nan 0.000 0.482 711 K N 3.862 124.190 120.400 -0.120 0.000 2.466 711 K HA 0.435 4.754 4.320 -0.001 0.000 0.260 711 K C -1.444 175.111 176.600 -0.075 0.000 1.011 711 K CA -0.803 55.422 56.287 -0.104 0.000 0.871 711 K CB 1.843 34.304 32.500 -0.065 0.000 1.404 711 K HN 0.776 nan 8.250 nan 0.000 0.450 712 D N 1.213 121.579 120.400 -0.057 0.000 2.396 712 D HA 0.077 4.716 4.640 -0.001 0.000 0.225 712 D C -0.545 175.745 176.300 -0.018 0.000 1.121 712 D CA -0.396 53.588 54.000 -0.026 0.000 0.853 712 D CB 0.804 41.593 40.800 -0.017 0.000 1.043 712 D HN 0.121 nan 8.370 nan 0.000 0.500 713 K N 3.414 123.807 120.400 -0.011 0.000 3.000 713 K HA 0.144 4.464 4.320 -0.001 0.000 0.265 713 K C -0.083 176.515 176.600 -0.003 0.000 1.260 713 K CA 0.185 56.467 56.287 -0.008 0.000 1.209 713 K CB -0.129 32.368 32.500 -0.005 0.000 1.484 713 K HN 0.342 nan 8.250 nan 0.000 0.283 714 K N -1.017 119.380 120.400 -0.004 0.000 2.603 714 K HA 0.128 4.448 4.320 -0.001 0.000 0.216 714 K C 0.095 176.694 176.600 -0.003 0.000 1.562 714 K CA 0.273 56.559 56.287 -0.001 0.000 1.012 714 K CB 1.411 33.912 32.500 0.002 0.000 1.280 714 K HN 0.139 nan 8.250 nan 0.000 0.620 715 T N -1.155 113.395 114.554 -0.007 0.000 3.073 715 T HA 0.111 4.461 4.350 -0.001 0.000 0.264 715 T C 0.920 175.613 174.700 -0.012 0.000 0.893 715 T CA 0.500 62.596 62.100 -0.008 0.000 0.863 715 T CB 1.270 70.133 68.868 -0.009 0.000 1.247 715 T HN 0.267 nan 8.240 nan 0.000 0.546 716 G N 2.709 111.500 108.800 -0.015 0.000 2.187 716 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.261 716 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.261 716 G C -0.090 174.795 174.900 -0.024 0.000 1.000 716 G CA 0.702 45.791 45.100 -0.018 0.000 0.718 716 G HN 0.670 nan 8.290 nan 0.000 0.519 717 E N -0.026 120.158 120.200 -0.027 0.000 2.313 717 E HA 0.447 4.797 4.350 -0.001 0.000 0.276 717 E C 0.731 177.301 176.600 -0.051 0.000 1.031 717 E CA -0.919 55.462 56.400 -0.033 0.000 0.857 717 E CB 0.292 29.975 29.700 -0.027 0.000 1.040 717 E HN 0.330 nan 8.360 nan 0.000 0.408 718 I N 6.275 126.815 120.570 -0.052 0.000 2.347 718 I HA -0.041 4.128 4.170 -0.001 0.000 0.294 718 I C 0.520 176.584 176.117 -0.089 0.000 1.090 718 I CA -0.393 60.865 61.300 -0.070 0.000 1.314 718 I CB 0.503 38.471 38.000 -0.053 0.000 1.423 718 I HN 0.640 nan 8.210 nan 0.000 0.503 719 L N 5.692 126.824 121.223 -0.152 0.000 2.162 719 L HA 0.139 4.479 4.340 -0.001 0.000 0.205 719 L C 1.113 177.884 176.870 -0.166 0.000 1.086 719 L CA 1.176 55.898 54.840 -0.197 0.000 0.778 719 L CB -0.640 41.169 42.059 -0.416 0.000 0.928 719 L HN 0.543 nan 8.230 nan 0.000 0.446 720 R N 0.203 120.600 120.500 -0.172 0.000 2.510 720 R HA 0.251 4.591 4.340 -0.001 0.000 0.294 720 R C -0.375 175.888 176.300 -0.061 0.000 1.056 720 R CA -0.495 55.555 56.100 -0.082 0.000 0.918 720 R CB 1.212 31.483 30.300 -0.047 0.000 1.187 720 R HN -0.086 nan 8.270 nan 0.000 0.437 721 K N 2.774 123.151 120.400 -0.038 0.000 2.180 721 K HA 0.176 4.496 4.320 -0.001 0.000 0.251 721 K C -0.427 176.158 176.600 -0.026 0.000 1.014 721 K CA -0.334 55.933 56.287 -0.033 0.000 0.913 721 K CB 0.631 33.115 32.500 -0.027 0.000 1.008 721 K HN 0.568 nan 8.250 nan 0.000 0.490 722 R N 1.635 122.119 120.500 -0.027 0.000 2.446 722 R HA 0.075 4.415 4.340 -0.001 0.000 0.314 722 R C -0.387 175.905 176.300 -0.014 0.000 1.003 722 R CA -0.399 55.687 56.100 -0.024 0.000 1.018 722 R CB -0.364 29.921 30.300 -0.025 0.000 0.945 722 R HN 0.388 nan 8.270 nan 0.000 0.419 723 C N 2.642 121.938 119.300 -0.007 0.000 2.405 723 C HA 0.547 5.006 4.460 -0.001 0.000 0.365 723 C C 1.263 176.264 174.990 0.018 0.000 1.233 723 C CA -0.462 58.561 59.018 0.009 0.000 2.230 723 C CB 1.010 28.763 27.740 0.023 0.000 2.443 723 C HN 0.906 nan 8.230 nan 0.000 0.556 724 A N 2.335 125.177 122.820 0.037 0.000 2.280 724 A HA 0.644 4.964 4.320 -0.001 0.000 0.268 724 A C -0.484 177.174 177.584 0.124 0.000 1.111 724 A CA -0.188 51.887 52.037 0.063 0.000 0.814 724 A CB 0.181 19.214 19.000 0.054 0.000 1.093 724 A HN 0.728 nan 8.150 nan 0.000 0.498 725 V N 1.056 121.084 119.914 0.190 0.000 2.448 725 V HA 0.388 4.507 4.120 -0.001 0.000 0.295 725 V C -0.162 176.221 176.094 0.481 0.000 1.025 725 V CA -0.334 62.142 62.300 0.294 0.000 0.859 725 V CB 1.134 33.141 31.823 0.306 0.000 0.988 725 V HN 0.972 nan 8.190 nan 0.000 0.431 726 H N 4.397 123.664 119.070 0.328 0.000 2.690 726 H HA 0.716 5.271 4.556 -0.001 0.000 0.368 726 H C -1.322 174.240 175.328 0.389 0.000 1.150 726 H CA -0.794 55.343 56.048 0.149 0.000 1.174 726 H CB 2.217 31.991 29.762 0.019 0.000 1.684 726 H HN 0.802 nan 8.280 nan 0.000 0.538 727 W N 2.980 124.290 121.300 0.017 0.000 2.923 727 W HA 0.566 5.225 4.660 -0.001 0.000 0.373 727 W C -2.492 173.963 176.519 -0.107 0.000 1.205 727 W CA -0.859 56.470 57.345 -0.026 0.000 1.180 727 W CB 0.561 30.341 29.460 0.534 0.000 1.477 727 W HN 0.326 nan 8.180 nan 0.000 0.581 728 V N 2.245 122.291 119.914 0.219 0.000 2.623 728 V HA 0.439 4.559 4.120 -0.001 0.000 0.304 728 V C 0.368 176.624 176.094 0.271 0.000 1.054 728 V CA -0.381 61.962 62.300 0.072 0.000 0.882 728 V CB 1.286 33.108 31.823 -0.003 0.000 1.002 728 V HN 0.766 nan 8.190 nan 0.000 0.424 729 T N 2.665 117.359 114.554 0.233 0.000 2.903 729 T HA 0.171 4.521 4.350 -0.001 0.000 0.314 729 T C -1.493 173.283 174.700 0.127 0.000 1.078 729 T CA -0.787 61.443 62.100 0.217 0.000 1.114 729 T CB 1.097 70.079 68.868 0.189 0.000 0.987 729 T HN 0.442 nan 8.240 nan 0.000 0.548 730 P HA -0.116 nan 4.420 nan 0.000 0.218 730 P C 0.994 178.301 177.300 0.011 0.000 1.146 730 P CA 1.313 64.416 63.100 0.005 0.000 0.820 730 P CB -0.007 31.638 31.700 -0.092 0.000 0.778 731 D N -2.508 117.907 120.400 0.024 0.000 2.358 731 D HA 0.106 4.745 4.640 -0.001 0.000 0.224 731 D C 1.198 177.536 176.300 0.064 0.000 1.123 731 D CA 0.368 54.383 54.000 0.025 0.000 0.833 731 D CB -0.392 40.408 40.800 -0.000 0.000 0.946 731 D HN 0.216 nan 8.370 nan 0.000 0.505 732 G N 0.513 109.365 108.800 0.086 0.000 2.195 732 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.224 732 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.224 732 G C -0.118 174.853 174.900 0.118 0.000 0.990 732 G CA -0.144 45.011 45.100 0.092 0.000 0.639 732 G HN 0.381 nan 8.290 nan 0.000 0.514 733 F N 4.760 124.708 119.950 -0.003 0.000 2.472 733 F HA 0.556 5.083 4.527 0.000 0.000 0.364 733 F C -1.657 174.107 175.800 -0.061 0.000 1.090 733 F CA -1.975 56.023 58.000 -0.004 0.000 1.188 733 F CB 1.219 40.201 39.000 -0.030 0.000 1.105 733 F HN 0.009 nan 8.300 nan 0.000 0.536 734 P HA 0.283 nan 4.420 nan 0.000 0.292 734 P C -1.445 175.196 177.300 -1.098 0.000 1.283 734 P CA -0.334 62.285 63.100 -0.803 0.000 0.835 734 P CB 2.241 33.452 31.700 -0.815 0.000 1.017 735 V N 4.148 123.424 119.914 -1.063 0.000 2.789 735 V HA 0.645 4.765 4.120 -0.001 0.000 0.311 735 V C -1.855 173.695 176.094 -0.906 0.000 1.073 735 V CA -0.772 61.065 62.300 -0.772 0.000 0.921 735 V CB 1.968 33.376 31.823 -0.691 0.000 1.009 735 V HN 0.506 nan 8.190 nan 0.000 0.426 736 W N 5.022 126.151 121.300 -0.286 0.000 2.499 736 W HA 0.443 5.102 4.660 -0.002 0.000 0.320 736 W C -0.317 176.026 176.519 -0.293 0.000 1.010 736 W CA -0.509 56.675 57.345 -0.268 0.000 1.267 736 W CB 1.919 31.171 29.460 -0.347 0.000 1.316 736 W HN 0.660 nan 8.180 nan 0.000 0.431 737 Q N 2.701 122.533 119.800 0.052 0.000 2.349 737 Q HA 0.126 4.465 4.340 -0.001 0.000 0.254 737 Q C -0.369 175.519 176.000 -0.187 0.000 0.980 737 Q CA 0.484 56.219 55.803 -0.113 0.000 0.924 737 Q CB 0.984 29.872 28.738 0.250 0.000 1.209 737 Q HN 0.557 nan 8.270 nan 0.000 0.445 738 E N 4.740 124.680 120.200 -0.434 0.000 3.626 738 E HA 0.129 4.479 4.350 -0.001 0.000 0.245 738 E C -1.466 174.956 176.600 -0.296 0.000 1.236 738 E CA -0.399 55.840 56.400 -0.268 0.000 1.072 738 E CB 0.441 30.025 29.700 -0.193 0.000 1.309 738 E HN 0.569 nan 8.360 nan 0.000 0.400 739 Y N 1.557 121.782 120.300 -0.126 0.000 2.605 739 Y HA 0.108 4.658 4.550 -0.000 0.000 0.336 739 Y C 0.646 176.491 175.900 -0.093 0.000 1.111 739 Y CA 0.277 58.306 58.100 -0.119 0.000 1.422 739 Y CB 0.402 38.835 38.460 -0.045 0.000 1.193 739 Y HN 0.035 nan 8.280 nan 0.000 0.526 740 K N 3.665 124.084 120.400 0.031 0.000 2.156 740 K HA 0.367 4.687 4.320 -0.001 0.000 0.254 740 K C -0.379 176.221 176.600 0.001 0.000 0.950 740 K CA -1.156 55.130 56.287 -0.002 0.000 0.849 740 K CB 1.843 34.317 32.500 -0.042 0.000 1.100 740 K HN 0.430 nan 8.250 nan 0.000 0.434 741 K N 3.684 124.084 120.400 0.001 0.000 2.244 741 K HA 0.390 4.710 4.320 -0.001 0.000 0.260 741 K C -2.749 173.846 176.600 -0.009 0.000 0.951 741 K CA -1.954 54.332 56.287 -0.002 0.000 0.826 741 K CB 1.541 34.047 32.500 0.008 0.000 1.108 741 K HN 0.193 nan 8.250 nan 0.000 0.433 742 P HA 0.170 nan 4.420 nan 0.000 0.274 742 P C 0.056 177.350 177.300 -0.009 0.000 1.231 742 P CA -0.205 62.889 63.100 -0.009 0.000 0.790 742 P CB 0.579 32.275 31.700 -0.006 0.000 0.951 743 I N -0.374 120.191 120.570 -0.008 0.000 3.875 743 I HA 0.065 4.234 4.170 -0.001 0.000 0.329 743 I C 1.074 177.184 176.117 -0.011 0.000 1.295 743 I CA 0.156 61.450 61.300 -0.009 0.000 1.129 743 I CB -0.547 37.447 38.000 -0.009 0.000 1.008 743 I HN 0.312 nan 8.210 nan 0.000 0.413 744 Q N 1.303 121.097 119.800 -0.011 0.000 2.397 744 Q HA 0.469 4.809 4.340 -0.001 0.000 0.193 744 Q C -0.359 175.626 176.000 -0.024 0.000 1.083 744 Q CA 0.173 55.966 55.803 -0.016 0.000 1.108 744 Q CB 0.971 29.703 28.738 -0.009 0.000 1.172 744 Q HN 0.109 nan 8.270 nan 0.000 0.617 745 T N 0.833 115.365 114.554 -0.037 0.000 4.242 745 T HA 0.249 4.599 4.350 -0.001 0.000 0.422 745 T C -1.240 173.419 174.700 -0.068 0.000 1.136 745 T CA -0.648 61.425 62.100 -0.044 0.000 1.071 745 T CB 0.494 69.342 68.868 -0.033 0.000 1.260 745 T HN 0.476 nan 8.240 nan 0.000 0.453 746 R N 2.517 122.967 120.500 -0.083 0.000 3.124 746 R HA 0.168 4.507 4.340 -0.001 0.000 0.212 746 R C -1.453 174.787 176.300 -0.099 0.000 1.677 746 R CA -0.677 55.355 56.100 -0.115 0.000 1.186 746 R CB 0.698 30.874 30.300 -0.206 0.000 1.571 746 R HN 0.417 nan 8.270 nan 0.000 0.583 747 L N 2.160 123.349 121.223 -0.057 0.000 2.283 747 L HA 0.379 4.718 4.340 -0.001 0.000 0.287 747 L C -0.385 176.477 176.870 -0.014 0.000 1.073 747 L CA 0.027 54.846 54.840 -0.035 0.000 0.822 747 L CB 0.715 42.759 42.059 -0.026 0.000 1.186 747 L HN 0.235 nan 8.230 nan 0.000 0.436 748 N N 3.137 121.839 118.700 0.003 0.000 2.495 748 N HA 0.360 5.099 4.740 -0.001 0.000 0.280 748 N C 0.493 176.017 175.510 0.023 0.000 1.168 748 N CA -0.654 52.419 53.050 0.039 0.000 0.978 748 N CB 0.975 39.525 38.487 0.105 0.000 1.191 748 N HN 0.504 nan 8.380 nan 0.000 0.497 749 L N 1.081 122.320 121.223 0.026 0.000 2.042 749 L HA 0.102 4.442 4.340 -0.001 0.000 0.204 749 L C 1.672 178.502 176.870 -0.066 0.000 1.130 749 L CA 1.525 56.360 54.840 -0.008 0.000 0.779 749 L CB -1.072 40.998 42.059 0.018 0.000 0.918 749 L HN 0.743 nan 8.230 nan 0.000 0.450 750 M N -3.594 115.942 119.600 -0.107 0.000 2.371 750 M HA 0.129 4.609 4.480 -0.001 0.000 0.246 750 M C 1.392 177.475 176.300 -0.362 0.000 1.103 750 M CA 0.673 55.790 55.300 -0.306 0.000 1.010 750 M CB 0.169 32.465 32.600 -0.508 0.000 1.457 750 M HN -0.026 nan 8.290 nan 0.000 0.486 751 F N 1.429 121.240 119.950 -0.232 0.000 2.394 751 F HA 0.331 4.858 4.527 -0.001 0.000 0.269 751 F C 1.137 176.915 175.800 -0.037 0.000 1.012 751 F CA 0.942 58.876 58.000 -0.109 0.000 1.138 751 F CB 0.298 39.278 39.000 -0.034 0.000 1.140 751 F HN -0.006 nan 8.300 nan 0.000 0.623 752 L N -2.181 119.192 121.223 0.250 0.000 3.232 752 L HA 0.659 4.999 4.340 -0.001 0.000 0.222 752 L C -0.139 176.817 176.870 0.143 0.000 1.515 752 L CA -0.048 54.910 54.840 0.198 0.000 2.255 752 L CB -0.164 42.102 42.059 0.345 0.000 2.182 752 L HN 0.067 nan 8.230 nan 0.000 0.747 753 G N 0.719 109.613 108.800 0.157 0.000 2.768 753 G HA2 0.223 4.183 3.960 -0.001 0.000 0.666 753 G HA3 0.223 4.183 3.960 -0.001 0.000 0.666 753 G C -0.943 173.913 174.900 -0.073 0.000 1.162 753 G CA -0.487 44.615 45.100 0.004 0.000 1.226 753 G HN 0.266 nan 8.290 nan 0.000 0.535 754 Q N -0.236 119.403 119.800 -0.268 0.000 2.922 754 Q HA 0.601 4.940 4.340 -0.001 0.000 0.392 754 Q C 1.081 176.852 176.000 -0.381 0.000 0.689 754 Q CA -0.562 55.117 55.803 -0.206 0.000 0.905 754 Q CB 0.102 28.874 28.738 0.057 0.000 1.222 754 Q HN 1.048 nan 8.270 nan 0.000 0.432 755 F N 1.444 121.319 119.950 -0.124 0.000 2.514 755 F HA -0.033 4.494 4.527 -0.001 0.000 0.307 755 F C 0.570 176.283 175.800 -0.146 0.000 0.990 755 F CA 0.291 58.222 58.000 -0.113 0.000 1.229 755 F CB 0.036 38.981 39.000 -0.091 0.000 0.932 755 F HN 0.414 nan 8.300 nan 0.000 0.639 767 S N -0.767 114.921 115.700 -0.019 0.000 2.579 767 S HA 0.806 5.276 4.470 -0.001 0.000 0.272 767 S C -1.024 173.563 174.600 -0.022 0.000 1.141 767 S CA -0.981 57.208 58.200 -0.019 0.000 0.843 767 S CB 2.850 66.037 63.200 -0.023 0.000 1.122 767 S HN 0.522 nan 8.310 nan 0.000 0.468 768 E N 0.619 120.809 120.200 -0.017 0.000 2.336 768 E HA 0.665 5.014 4.350 -0.001 0.000 0.267 768 E C -1.140 175.454 176.600 -0.009 0.000 0.906 768 E CA -1.182 55.208 56.400 -0.017 0.000 0.781 768 E CB 0.763 30.454 29.700 -0.015 0.000 1.261 768 E HN 0.403 nan 8.360 nan 0.000 0.436 769 I N 2.055 122.620 120.570 -0.010 0.000 2.919 769 I HA -0.118 4.051 4.170 -0.001 0.000 0.303 769 I C 0.437 176.567 176.117 0.021 0.000 1.221 769 I CA 0.709 62.013 61.300 0.006 0.000 1.444 769 I CB -0.005 37.996 38.000 0.003 0.000 1.331 769 I HN 0.538 nan 8.210 nan 0.000 0.572 770 D N 6.550 126.983 120.400 0.055 0.000 2.453 770 D HA 0.253 4.892 4.640 -0.001 0.000 0.223 770 D C 0.985 177.314 176.300 0.049 0.000 1.183 770 D CA 0.079 54.113 54.000 0.057 0.000 0.933 770 D CB 1.027 41.865 40.800 0.063 0.000 1.038 770 D HN 0.670 nan 8.370 nan 0.000 0.513 771 A N 4.132 126.943 122.820 -0.014 0.000 1.903 771 A HA -0.276 4.044 4.320 -0.001 0.000 0.219 771 A C 1.632 179.130 177.584 -0.143 0.000 1.191 771 A CA 1.700 53.674 52.037 -0.106 0.000 0.638 771 A CB -0.689 18.183 19.000 -0.215 0.000 0.823 771 A HN 0.732 nan 8.150 nan 0.000 0.451 772 H N -0.693 118.355 119.070 -0.037 0.000 2.299 772 H HA -0.022 4.534 4.556 -0.000 0.000 0.302 772 H C 2.124 177.404 175.328 -0.081 0.000 1.078 772 H CA 1.861 57.871 56.048 -0.063 0.000 1.323 772 H CB -0.067 29.646 29.762 -0.082 0.000 1.381 772 H HN 0.443 nan 8.280 nan 0.000 0.498 773 K N 0.182 120.580 120.400 -0.002 0.000 2.209 773 K HA -0.184 4.136 4.320 -0.001 0.000 0.204 773 K C 2.160 178.749 176.600 -0.017 0.000 1.048 773 K CA 1.009 57.157 56.287 -0.231 0.000 0.940 773 K CB 0.050 32.214 32.500 -0.561 0.000 0.729 773 K HN 0.134 nan 8.250 nan 0.000 0.451 774 Q N 1.052 120.967 119.800 0.192 0.000 2.124 774 Q HA -0.170 4.170 4.340 -0.001 0.000 0.202 774 Q C 1.718 177.819 176.000 0.168 0.000 0.977 774 Q CA 1.552 57.535 55.803 0.301 0.000 0.850 774 Q CB 0.063 28.889 28.738 0.146 0.000 0.901 774 Q HN 0.324 nan 8.270 nan 0.000 0.429 775 E N -1.159 119.073 120.200 0.054 0.000 2.230 775 E HA -0.084 4.265 4.350 -0.001 0.000 0.192 775 E C 1.500 178.113 176.600 0.022 0.000 0.987 775 E CA 0.987 57.387 56.400 0.001 0.000 0.841 775 E CB 0.108 29.773 29.700 -0.059 0.000 0.783 775 E HN 0.396 nan 8.360 nan 0.000 0.481 776 S N -1.175 114.542 115.700 0.030 0.000 2.478 776 S HA 0.090 4.560 4.470 -0.001 0.000 0.222 776 S C 1.803 176.447 174.600 0.074 0.000 1.008 776 S CA 0.468 58.678 58.200 0.016 0.000 0.928 776 S CB 0.598 63.775 63.200 -0.038 0.000 0.781 776 S HN 0.231 nan 8.310 nan 0.000 0.518 777 G N 0.587 109.493 108.800 0.176 0.000 3.126 777 G HA2 0.243 4.203 3.960 -0.001 0.000 0.224 777 G HA3 0.243 4.203 3.960 -0.001 0.000 0.224 777 G C 0.983 176.080 174.900 0.329 0.000 1.142 777 G CA 0.156 45.443 45.100 0.311 0.000 0.759 777 G HN 0.418 nan 8.290 nan 0.000 0.550 778 I N 2.015 122.724 120.570 0.231 0.000 2.142 778 I HA -0.025 4.145 4.170 -0.001 0.000 0.240 778 I C 2.831 179.013 176.117 0.107 0.000 1.078 778 I CA 1.761 63.145 61.300 0.139 0.000 1.343 778 I CB -0.322 37.672 38.000 -0.010 0.000 1.046 778 I HN 0.139 nan 8.210 nan 0.000 0.405 779 A N 1.747 124.643 122.820 0.127 0.000 1.835 779 A HA -0.097 4.223 4.320 -0.001 0.000 0.215 779 A C 0.194 177.989 177.584 0.352 0.000 1.199 779 A CA 2.261 54.449 52.037 0.251 0.000 0.615 779 A CB -2.416 16.721 19.000 0.229 0.000 0.838 779 A HN 0.465 nan 8.150 nan 0.000 0.444 780 P HA -0.200 nan 4.420 nan 0.000 0.216 780 P C 0.869 178.280 177.300 0.185 0.000 1.153 780 P CA 1.771 65.030 63.100 0.265 0.000 0.858 780 P CB -0.445 31.362 31.700 0.179 0.000 0.789 781 N N -1.478 117.333 118.700 0.185 0.000 2.166 781 N HA -0.157 4.582 4.740 -0.001 0.000 0.186 781 N C 1.727 177.468 175.510 0.385 0.000 1.019 781 N CA 0.446 53.642 53.050 0.242 0.000 0.856 781 N CB -0.472 38.295 38.487 0.467 0.000 0.993 781 N HN 0.004 nan 8.380 nan 0.000 0.426 782 F N 2.164 122.158 119.950 0.074 0.000 2.051 782 F HA -0.191 4.336 4.527 -0.001 0.000 0.296 782 F C 2.205 178.017 175.800 0.019 0.000 1.122 782 F CA 1.140 59.047 58.000 -0.155 0.000 1.201 782 F CB -0.768 37.968 39.000 -0.441 0.000 0.978 782 F HN -0.193 nan 8.300 nan 0.000 0.472 783 V N -0.678 119.192 119.914 -0.074 0.000 2.332 783 V HA -0.338 3.782 4.120 -0.001 0.000 0.248 783 V C 2.484 178.436 176.094 -0.238 0.000 1.055 783 V CA 2.361 64.447 62.300 -0.357 0.000 1.038 783 V CB -1.513 30.033 31.823 -0.462 0.000 0.651 783 V HN 0.455 nan 8.190 nan 0.000 0.450 784 H N 1.412 120.395 119.070 -0.146 0.000 2.352 784 H HA -0.150 4.406 4.556 -0.001 0.000 0.299 784 H C 2.756 177.996 175.328 -0.147 0.000 1.097 784 H CA 2.218 58.188 56.048 -0.129 0.000 1.311 784 H CB -0.068 29.640 29.762 -0.089 0.000 1.377 784 H HN 0.685 nan 8.280 nan 0.000 0.504 785 S N 0.574 116.325 115.700 0.083 0.000 2.382 785 S HA -0.202 4.268 4.470 -0.001 0.000 0.228 785 S C 2.145 176.698 174.600 -0.077 0.000 1.027 785 S CA 1.359 59.613 58.200 0.090 0.000 0.991 785 S CB -0.098 63.384 63.200 0.470 0.000 0.823 785 S HN 0.225 nan 8.310 nan 0.000 0.469 786 Q N 2.414 122.045 119.800 -0.282 0.000 2.016 786 Q HA -0.093 4.247 4.340 -0.001 0.000 0.200 786 Q C 1.666 177.384 176.000 -0.470 0.000 0.978 786 Q CA 2.243 57.789 55.803 -0.429 0.000 0.833 786 Q CB -0.743 27.597 28.738 -0.664 0.000 0.895 786 Q HN 0.904 nan 8.270 nan 0.000 0.427 787 D N -1.888 118.171 120.400 -0.569 0.000 2.264 787 D HA -0.050 4.590 4.640 -0.001 0.000 0.208 787 D C 1.673 177.935 176.300 -0.063 0.000 0.966 787 D CA 1.223 55.045 54.000 -0.296 0.000 0.864 787 D CB -0.667 40.043 40.800 -0.151 0.000 0.933 787 D HN 0.305 nan 8.370 nan 0.000 0.499 788 G N 0.130 108.845 108.800 -0.141 0.000 2.402 788 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.216 788 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.216 788 G C 1.673 176.517 174.900 -0.094 0.000 1.162 788 G CA 0.888 45.907 45.100 -0.135 0.000 0.777 788 G HN 0.401 nan 8.290 nan 0.000 0.539 789 S N -0.316 115.336 115.700 -0.079 0.000 2.356 789 S HA -0.219 4.251 4.470 -0.001 0.000 0.223 789 S C 2.160 176.756 174.600 -0.007 0.000 1.032 789 S CA 1.638 59.809 58.200 -0.049 0.000 1.005 789 S CB -0.676 62.502 63.200 -0.037 0.000 0.867 789 S HN 0.564 nan 8.310 nan 0.000 0.449 790 H N 1.046 120.101 119.070 -0.026 0.000 2.352 790 H HA -0.083 4.473 4.556 -0.001 0.000 0.299 790 H C 2.307 177.651 175.328 0.026 0.000 1.097 790 H CA 1.851 57.922 56.048 0.039 0.000 1.311 790 H CB -0.554 29.338 29.762 0.216 0.000 1.377 790 H HN 0.513 nan 8.280 nan 0.000 0.504 791 L N 0.559 121.907 121.223 0.209 0.000 2.017 791 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 791 L C 2.948 179.806 176.870 -0.020 0.000 1.073 791 L CA 1.377 56.367 54.840 0.250 0.000 0.745 791 L CB -0.279 41.965 42.059 0.308 0.000 0.894 791 L HN 0.144 nan 8.230 nan 0.000 0.432 792 R N -0.167 120.290 120.500 -0.071 0.000 2.073 792 R HA -0.186 4.153 4.340 -0.001 0.000 0.234 792 R C 2.377 178.600 176.300 -0.128 0.000 1.134 792 R CA 1.979 58.005 56.100 -0.124 0.000 0.952 792 R CB -0.235 29.991 30.300 -0.122 0.000 0.850 792 R HN 0.369 nan 8.270 nan 0.000 0.433 793 K N -0.475 119.848 120.400 -0.128 0.000 2.074 793 K HA -0.147 4.173 4.320 -0.001 0.000 0.209 793 K C 2.076 178.609 176.600 -0.113 0.000 1.048 793 K CA 2.120 58.335 56.287 -0.120 0.000 0.926 793 K CB -0.183 32.210 32.500 -0.179 0.000 0.713 793 K HN 0.239 nan 8.250 nan 0.000 0.444 794 T N 0.911 115.312 114.554 -0.255 0.000 2.746 794 T HA -0.107 4.243 4.350 -0.001 0.000 0.267 794 T C 2.068 176.697 174.700 -0.118 0.000 1.039 794 T CA 1.245 63.212 62.100 -0.222 0.000 1.142 794 T CB -0.317 68.232 68.868 -0.531 0.000 0.866 794 T HN -0.057 nan 8.240 nan 0.000 0.444 795 V N 1.337 121.088 119.914 -0.272 0.000 2.282 795 V HA -0.179 3.940 4.120 -0.001 0.000 0.249 795 V C 2.698 178.656 176.094 -0.228 0.000 1.057 795 V CA 1.451 63.413 62.300 -0.564 0.000 1.032 795 V CB -0.839 30.604 31.823 -0.634 0.000 0.645 795 V HN 0.312 nan 8.190 nan 0.000 0.447 796 V N -0.824 119.052 119.914 -0.063 0.000 2.261 796 V HA -0.289 3.830 4.120 -0.001 0.000 0.246 796 V C 2.111 178.319 176.094 0.190 0.000 1.047 796 V CA 2.459 64.808 62.300 0.082 0.000 1.015 796 V CB -0.721 31.151 31.823 0.080 0.000 0.642 796 V HN 0.795 nan 8.190 nan 0.000 0.446 797 W N 0.933 122.236 121.300 0.005 0.000 2.335 797 W HA -0.262 4.398 4.660 -0.001 0.000 0.311 797 W C 2.321 178.934 176.519 0.156 0.000 1.213 797 W CA 2.059 59.429 57.345 0.042 0.000 1.274 797 W CB -0.177 29.280 29.460 -0.006 0.000 1.148 797 W HN 0.302 nan 8.180 nan 0.000 0.498 798 A N -0.927 122.037 122.820 0.240 0.000 2.066 798 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 798 A C 1.593 179.371 177.584 0.323 0.000 1.157 798 A CA 1.890 54.103 52.037 0.294 0.000 0.670 798 A CB -1.086 18.167 19.000 0.423 0.000 0.804 798 A HN 0.561 nan 8.150 nan 0.000 0.453 799 H N -0.376 118.813 119.070 0.198 0.000 2.465 799 H HA 0.139 4.695 4.556 -0.001 0.000 0.289 799 H C 1.766 177.107 175.328 0.023 0.000 1.022 799 H CA 1.754 57.906 56.048 0.174 0.000 1.340 799 H CB 0.157 30.032 29.762 0.188 0.000 1.437 799 H HN 0.581 nan 8.280 nan 0.000 0.539 800 E N -0.295 119.824 120.200 -0.136 0.000 2.099 800 E HA -0.045 4.305 4.350 -0.001 0.000 0.191 800 E C 1.862 178.233 176.600 -0.381 0.000 0.962 800 E CA 0.093 56.328 56.400 -0.274 0.000 0.826 800 E CB 0.263 29.862 29.700 -0.168 0.000 0.788 800 E HN 0.059 nan 8.360 nan 0.000 0.461 801 K N 0.812 120.844 120.400 -0.613 0.000 1.984 801 K HA -0.045 4.275 4.320 -0.001 0.000 0.209 801 K C 0.283 176.434 176.600 -0.749 0.000 1.046 801 K CA 1.295 57.035 56.287 -0.911 0.000 0.934 801 K CB -0.202 31.254 32.500 -1.740 0.000 0.717 801 K HN 0.005 nan 8.250 nan 0.000 0.438 802 Y N -1.010 119.086 120.300 -0.339 0.000 2.432 802 Y HA 0.335 4.885 4.550 -0.001 0.000 0.322 802 Y C 1.640 177.460 175.900 -0.133 0.000 1.246 802 Y CA -0.204 57.788 58.100 -0.181 0.000 1.268 802 Y CB 1.023 39.408 38.460 -0.125 0.000 1.276 802 Y HN 0.099 nan 8.280 nan 0.000 0.499 803 G N 1.105 109.940 108.800 0.059 0.000 2.848 803 G HA2 0.038 3.997 3.960 -0.001 0.000 0.208 803 G HA3 0.038 3.997 3.960 -0.001 0.000 0.208 803 G C 0.400 175.327 174.900 0.045 0.000 1.152 803 G CA -0.208 44.894 45.100 0.003 0.000 0.789 803 G HN 0.522 nan 8.290 nan 0.000 0.531 804 I N 1.171 121.783 120.570 0.070 0.000 2.989 804 I HA -0.073 4.097 4.170 -0.001 0.000 0.311 804 I C 1.277 177.453 176.117 0.098 0.000 1.221 804 I CA 0.929 62.219 61.300 -0.016 0.000 1.449 804 I CB 0.524 38.481 38.000 -0.072 0.000 1.325 804 I HN 0.513 nan 8.210 nan 0.000 0.557 805 E N 2.353 122.515 120.200 -0.063 0.000 2.753 805 E HA 0.208 4.558 4.350 -0.001 0.000 0.218 805 E C -0.483 176.062 176.600 -0.092 0.000 0.956 805 E CA -0.385 56.062 56.400 0.079 0.000 1.244 805 E CB 0.595 30.404 29.700 0.181 0.000 1.114 805 E HN 0.443 nan 8.360 nan 0.000 0.530 806 S N 0.798 116.275 115.700 -0.373 0.000 2.596 806 S HA 0.590 5.059 4.470 -0.001 0.000 0.318 806 S C -1.256 173.032 174.600 -0.520 0.000 1.097 806 S CA -0.542 57.452 58.200 -0.344 0.000 1.080 806 S CB 0.466 63.465 63.200 -0.335 0.000 0.991 806 S HN 0.204 nan 8.310 nan 0.000 0.471 807 F N 1.447 121.334 119.950 -0.104 0.000 2.551 807 F HA 0.696 5.222 4.527 -0.000 0.000 0.316 807 F C 0.215 176.074 175.800 0.099 0.000 1.089 807 F CA -0.870 57.133 58.000 0.005 0.000 0.915 807 F CB 1.676 40.696 39.000 0.034 0.000 1.186 807 F HN 0.576 nan 8.300 nan 0.000 0.456 808 A N 4.694 127.742 122.820 0.381 0.000 2.277 808 A HA 0.797 5.116 4.320 -0.001 0.000 0.318 808 A C -1.239 176.537 177.584 0.320 0.000 1.339 808 A CA -0.423 51.881 52.037 0.445 0.000 0.875 808 A CB 0.119 19.360 19.000 0.403 0.000 1.158 808 A HN 0.761 nan 8.150 nan 0.000 0.514 809 L N 3.088 124.463 121.223 0.253 0.000 2.341 809 L HA 0.593 4.933 4.340 -0.001 0.000 0.278 809 L C -0.425 176.430 176.870 -0.024 0.000 1.005 809 L CA -0.229 54.675 54.840 0.106 0.000 0.818 809 L CB 1.958 44.072 42.059 0.091 0.000 1.259 809 L HN 0.651 nan 8.230 nan 0.000 0.418 810 I N 2.513 122.986 120.570 -0.161 0.000 2.948 810 I HA 0.230 4.400 4.170 -0.001 0.000 0.308 810 I C 0.432 176.357 176.117 -0.319 0.000 1.478 810 I CA -0.215 60.890 61.300 -0.325 0.000 0.843 810 I CB -0.157 37.672 38.000 -0.286 0.000 2.100 810 I HN 0.840 nan 8.210 nan 0.000 0.625 811 H N 1.678 120.581 119.070 -0.279 0.000 5.009 811 H HA -0.294 4.262 4.556 -0.001 0.000 0.059 811 H C 0.488 175.635 175.328 -0.302 0.000 0.567 811 H CA 1.907 57.795 56.048 -0.267 0.000 0.993 811 H CB -0.706 28.905 29.762 -0.252 0.000 0.557 811 H HN 0.716 nan 8.280 nan 0.000 0.791 812 D N 0.927 121.186 120.400 -0.234 0.000 2.720 812 D HA 0.337 4.976 4.640 -0.001 0.000 0.285 812 D C -0.560 175.399 176.300 -0.569 0.000 1.359 812 D CA 0.329 54.116 54.000 -0.356 0.000 0.818 812 D CB 0.966 41.679 40.800 -0.145 0.000 1.108 812 D HN 0.253 nan 8.370 nan 0.000 0.474 813 S N 0.174 115.430 115.700 -0.739 0.000 2.647 813 S HA 0.662 5.132 4.470 -0.001 0.000 0.300 813 S C -1.610 172.637 174.600 -0.588 0.000 1.129 813 S CA -0.720 57.178 58.200 -0.504 0.000 1.029 813 S CB 0.210 63.281 63.200 -0.215 0.000 1.007 813 S HN 0.127 nan 8.310 nan 0.000 0.484 814 F N 2.609 122.699 119.950 0.233 0.000 2.507 814 F HA 0.781 5.307 4.527 -0.001 0.000 0.325 814 F C 0.846 176.834 175.800 0.313 0.000 1.116 814 F CA -0.652 57.512 58.000 0.273 0.000 0.930 814 F CB 2.343 41.512 39.000 0.282 0.000 1.146 814 F HN 0.721 nan 8.300 nan 0.000 0.447 815 G N 0.769 109.824 108.800 0.425 0.000 2.660 815 G HA2 0.762 4.721 3.960 -0.001 0.000 0.294 815 G HA3 0.762 4.721 3.960 -0.001 0.000 0.294 815 G C -1.419 173.580 174.900 0.165 0.000 1.369 815 G CA -0.770 44.495 45.100 0.276 0.000 0.912 815 G HN 0.642 nan 8.290 nan 0.000 0.479 816 T N -0.805 113.780 114.554 0.053 0.000 2.731 816 T HA 0.543 4.893 4.350 -0.001 0.000 0.300 816 T C 0.259 174.917 174.700 -0.071 0.000 1.283 816 T CA -0.692 61.350 62.100 -0.098 0.000 1.005 816 T CB 0.839 69.597 68.868 -0.183 0.000 1.420 816 T HN 1.108 nan 8.240 nan 0.000 0.503 817 I N -0.468 120.037 120.570 -0.108 0.000 2.836 817 I HA 0.289 4.459 4.170 -0.001 0.000 0.285 817 I C -1.966 174.146 176.117 -0.007 0.000 1.174 817 I CA -1.779 59.481 61.300 -0.067 0.000 1.405 817 I CB 0.282 38.229 38.000 -0.088 0.000 1.385 817 I HN 0.286 nan 8.210 nan 0.000 0.594 818 P HA -0.255 nan 4.420 nan 0.000 0.216 818 P C 1.523 178.911 177.300 0.147 0.000 1.157 818 P CA 2.516 65.689 63.100 0.121 0.000 0.880 818 P CB 0.030 31.816 31.700 0.142 0.000 0.791 819 A N -0.880 121.992 122.820 0.087 0.000 2.076 819 A HA -0.217 4.103 4.320 -0.001 0.000 0.220 819 A C 1.843 179.470 177.584 0.073 0.000 1.160 819 A CA 2.028 54.114 52.037 0.083 0.000 0.653 819 A CB -1.093 17.927 19.000 0.034 0.000 0.801 819 A HN 0.129 nan 8.150 nan 0.000 0.455 820 D N -1.400 119.022 120.400 0.037 0.000 2.379 820 D HA 0.327 4.966 4.640 -0.001 0.000 0.208 820 D C 2.023 178.324 176.300 0.002 0.000 1.065 820 D CA 0.774 54.772 54.000 -0.003 0.000 0.848 820 D CB 0.161 40.917 40.800 -0.073 0.000 0.949 820 D HN 0.354 nan 8.370 nan 0.000 0.509 821 A N 1.440 124.299 122.820 0.064 0.000 1.873 821 A HA -0.186 4.134 4.320 -0.001 0.000 0.218 821 A C 2.338 179.840 177.584 -0.136 0.000 1.193 821 A CA 2.313 54.378 52.037 0.047 0.000 0.629 821 A CB -0.746 18.286 19.000 0.052 0.000 0.826 821 A HN 0.226 nan 8.150 nan 0.000 0.447 822 A N -0.115 122.747 122.820 0.070 0.000 1.948 822 A HA -0.280 4.040 4.320 -0.001 0.000 0.220 822 A C 1.932 179.506 177.584 -0.016 0.000 1.177 822 A CA 2.000 54.169 52.037 0.220 0.000 0.636 822 A CB -0.949 18.283 19.000 0.387 0.000 0.815 822 A HN 0.763 nan 8.150 nan 0.000 0.449 823 N N -0.846 117.772 118.700 -0.137 0.000 2.171 823 N HA -0.081 4.659 4.740 -0.001 0.000 0.184 823 N C 1.592 176.789 175.510 -0.521 0.000 1.021 823 N CA 0.928 53.696 53.050 -0.470 0.000 0.854 823 N CB -0.126 38.071 38.487 -0.484 0.000 0.994 823 N HN 0.346 nan 8.380 nan 0.000 0.426 824 L N 0.600 121.654 121.223 -0.281 0.000 2.141 824 L HA 0.002 4.341 4.340 -0.001 0.000 0.209 824 L C 1.645 178.340 176.870 -0.291 0.000 1.094 824 L CA 1.277 56.005 54.840 -0.185 0.000 0.763 824 L CB -1.113 40.946 42.059 -0.000 0.000 0.908 824 L HN 0.125 nan 8.230 nan 0.000 0.437 825 F N 0.311 119.861 119.950 -0.666 0.000 2.161 825 F HA -0.263 4.263 4.527 -0.001 0.000 0.300 825 F C 2.539 178.095 175.800 -0.406 0.000 1.089 825 F CA 1.948 59.436 58.000 -0.853 0.000 1.282 825 F CB 0.060 38.453 39.000 -1.012 0.000 1.010 825 F HN 0.071 nan 8.300 nan 0.000 0.485 826 K N -0.127 120.166 120.400 -0.177 0.000 2.044 826 K HA -0.036 4.284 4.320 -0.001 0.000 0.204 826 K C 2.313 178.875 176.600 -0.064 0.000 1.049 826 K CA 0.849 57.073 56.287 -0.105 0.000 0.945 826 K CB -0.360 32.115 32.500 -0.042 0.000 0.724 826 K HN 0.256 nan 8.250 nan 0.000 0.440 827 A N 1.199 123.975 122.820 -0.074 0.000 1.873 827 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 827 A C 2.242 179.828 177.584 0.003 0.000 1.193 827 A CA 2.318 54.477 52.037 0.205 0.000 0.629 827 A CB -1.206 17.907 19.000 0.189 0.000 0.826 827 A HN 0.308 nan 8.150 nan 0.000 0.447 828 V N -1.918 117.887 119.914 -0.182 0.000 2.392 828 V HA -0.265 3.855 4.120 -0.001 0.000 0.249 828 V C 2.229 178.242 176.094 -0.136 0.000 1.059 828 V CA 2.200 64.333 62.300 -0.278 0.000 1.051 828 V CB -0.966 30.659 31.823 -0.330 0.000 0.658 828 V HN 0.539 nan 8.190 nan 0.000 0.455 829 R N 0.497 120.896 120.500 -0.168 0.000 2.073 829 R HA -0.050 4.289 4.340 -0.001 0.000 0.229 829 R C 2.382 178.625 176.300 -0.096 0.000 1.120 829 R CA 1.707 57.731 56.100 -0.127 0.000 0.967 829 R CB -0.431 29.759 30.300 -0.184 0.000 0.862 829 R HN 0.698 nan 8.270 nan 0.000 0.436 830 E N 0.119 120.251 120.200 -0.114 0.000 2.058 830 E HA -0.166 4.183 4.350 -0.001 0.000 0.194 830 E C 1.956 178.353 176.600 -0.339 0.000 0.997 830 E CA 1.550 57.837 56.400 -0.188 0.000 0.801 830 E CB -0.262 29.358 29.700 -0.132 0.000 0.746 830 E HN 0.149 nan 8.360 nan 0.000 0.450 831 T N 0.536 114.848 114.554 -0.404 0.000 2.833 831 T HA -0.180 4.170 4.350 -0.001 0.000 0.269 831 T C 1.755 176.330 174.700 -0.208 0.000 1.054 831 T CA 1.518 63.345 62.100 -0.455 0.000 1.135 831 T CB -0.097 68.461 68.868 -0.517 0.000 0.869 831 T HN 0.082 nan 8.240 nan 0.000 0.466 832 M N 0.367 119.989 119.600 0.037 0.000 2.160 832 M HA 0.050 4.530 4.480 -0.001 0.000 0.264 832 M C 2.015 178.428 176.300 0.189 0.000 1.073 832 M CA 1.477 56.960 55.300 0.306 0.000 1.142 832 M CB -0.284 32.476 32.600 0.267 0.000 1.358 832 M HN 0.076 nan 8.290 nan 0.000 0.422 833 V N 0.869 120.808 119.914 0.042 0.000 2.307 833 V HA -0.246 3.874 4.120 -0.001 0.000 0.245 833 V C 2.140 178.234 176.094 0.001 0.000 1.045 833 V CA 2.186 64.501 62.300 0.024 0.000 1.024 833 V CB -1.538 30.266 31.823 -0.032 0.000 0.651 833 V HN 0.610 nan 8.190 nan 0.000 0.449 834 D N 0.831 121.173 120.400 -0.096 0.000 2.108 834 D HA -0.228 4.412 4.640 -0.001 0.000 0.190 834 D C 2.092 178.327 176.300 -0.109 0.000 0.995 834 D CA 2.529 56.443 54.000 -0.142 0.000 0.834 834 D CB -0.479 40.150 40.800 -0.284 0.000 0.967 834 D HN 0.356 nan 8.370 nan 0.000 0.446 835 T N -1.150 113.321 114.554 -0.137 0.000 2.685 835 T HA -0.220 4.129 4.350 -0.001 0.000 0.268 835 T C 1.495 176.003 174.700 -0.319 0.000 1.034 835 T CA 1.643 63.597 62.100 -0.244 0.000 1.149 835 T CB -0.587 68.081 68.868 -0.332 0.000 0.860 835 T HN 0.294 nan 8.240 nan 0.000 0.449 836 Y N 0.928 121.235 120.300 0.012 0.000 2.511 836 Y HA 0.194 4.743 4.550 -0.001 0.000 0.279 836 Y C 2.297 178.200 175.900 0.005 0.000 1.157 836 Y CA 0.011 58.125 58.100 0.023 0.000 1.300 836 Y CB -0.036 38.440 38.460 0.028 0.000 1.052 836 Y HN 0.328 nan 8.280 nan 0.000 0.529 837 E N -0.919 119.324 120.200 0.073 0.000 2.250 837 E HA -0.057 4.293 4.350 -0.001 0.000 0.192 837 E C 1.729 178.334 176.600 0.008 0.000 0.986 837 E CA 0.973 57.395 56.400 0.035 0.000 0.849 837 E CB 0.139 29.843 29.700 0.006 0.000 0.797 837 E HN 0.268 nan 8.360 nan 0.000 0.482 838 S N -0.390 115.298 115.700 -0.020 0.000 2.486 838 S HA 0.088 4.557 4.470 -0.001 0.000 0.220 838 S C 0.438 175.027 174.600 -0.018 0.000 1.011 838 S CA -0.057 58.127 58.200 -0.027 0.000 0.921 838 S CB 0.513 63.684 63.200 -0.049 0.000 0.785 838 S HN 0.142 nan 8.310 nan 0.000 0.517 839 C N 1.620 120.904 119.300 -0.028 0.000 2.698 839 C HA 0.465 4.924 4.460 -0.001 0.000 0.309 839 C C -0.430 174.590 174.990 0.050 0.000 1.186 839 C CA -1.268 57.748 59.018 -0.003 0.000 1.474 839 C CB 1.696 29.412 27.740 -0.040 0.000 2.020 839 C HN 0.336 nan 8.230 nan 0.000 0.474 840 D N 1.776 122.226 120.400 0.084 0.000 2.970 840 D HA 0.129 4.769 4.640 -0.001 0.000 0.282 840 D C 1.495 177.905 176.300 0.183 0.000 1.291 840 D CA 0.027 54.100 54.000 0.122 0.000 0.967 840 D CB 0.840 41.683 40.800 0.072 0.000 1.017 840 D HN 0.546 nan 8.370 nan 0.000 0.512 841 V N 0.103 120.153 119.914 0.227 0.000 2.353 841 V HA -0.327 3.792 4.120 -0.001 0.000 0.260 841 V C 2.090 178.462 176.094 0.465 0.000 1.091 841 V CA 1.251 63.760 62.300 0.348 0.000 1.088 841 V CB -0.863 31.186 31.823 0.376 0.000 0.672 841 V HN 0.308 nan 8.190 nan 0.000 0.455 842 L N 0.798 122.242 121.223 0.369 0.000 2.044 842 L HA 0.143 4.483 4.340 -0.001 0.000 0.205 842 L C 2.820 179.912 176.870 0.370 0.000 1.075 842 L CA 2.311 57.344 54.840 0.321 0.000 0.747 842 L CB -1.249 40.800 42.059 -0.017 0.000 0.903 842 L HN 0.378 nan 8.230 nan 0.000 0.435 843 A N -0.681 122.253 122.820 0.190 0.000 1.877 843 A HA -0.220 4.099 4.320 -0.001 0.000 0.216 843 A C 1.958 179.708 177.584 0.278 0.000 1.186 843 A CA 1.843 53.985 52.037 0.175 0.000 0.620 843 A CB -0.792 18.228 19.000 0.033 0.000 0.822 843 A HN 0.506 nan 8.150 nan 0.000 0.443 844 D N -0.948 119.605 120.400 0.256 0.000 2.158 844 D HA -0.191 4.449 4.640 -0.001 0.000 0.197 844 D C 1.600 178.101 176.300 0.334 0.000 0.995 844 D CA 1.464 55.612 54.000 0.246 0.000 0.846 844 D CB -0.403 40.535 40.800 0.232 0.000 0.941 844 D HN 0.494 nan 8.370 nan 0.000 0.456 845 F N 0.886 121.017 119.950 0.301 0.000 2.186 845 F HA -0.211 4.316 4.527 0.000 0.000 0.299 845 F C 2.243 178.288 175.800 0.408 0.000 1.090 845 F CA 0.750 58.935 58.000 0.308 0.000 1.307 845 F CB -0.491 38.617 39.000 0.179 0.000 1.019 845 F HN -0.121 nan 8.300 nan 0.000 0.489 846 Y N 1.459 121.943 120.300 0.308 0.000 2.145 846 Y HA -0.230 4.319 4.550 -0.001 0.000 0.286 846 Y C 2.294 177.998 175.900 -0.328 0.000 1.145 846 Y CA 2.139 60.234 58.100 -0.009 0.000 1.148 846 Y CB -0.904 37.681 38.460 0.208 0.000 0.981 846 Y HN 0.063 nan 8.280 nan 0.000 0.507 847 D N -0.118 120.413 120.400 0.218 0.000 2.133 847 D HA -0.221 4.419 4.640 -0.001 0.000 0.195 847 D C 2.103 178.364 176.300 -0.064 0.000 0.997 847 D CA 1.438 55.490 54.000 0.087 0.000 0.840 847 D CB -0.293 40.556 40.800 0.082 0.000 0.947 847 D HN 0.472 nan 8.370 nan 0.000 0.452 848 Q N -0.235 119.526 119.800 -0.066 0.000 2.077 848 Q HA -0.164 4.175 4.340 -0.001 0.000 0.206 848 Q C 2.348 178.282 176.000 -0.110 0.000 0.989 848 Q CA 1.234 56.981 55.803 -0.093 0.000 0.853 848 Q CB -0.334 28.341 28.738 -0.105 0.000 0.907 848 Q HN 0.550 nan 8.270 nan 0.000 0.418 849 F N -1.690 118.041 119.950 -0.366 0.000 2.656 849 F HA 0.443 4.969 4.527 -0.001 0.000 0.291 849 F C 2.000 177.622 175.800 -0.296 0.000 1.122 849 F CA 0.307 58.104 58.000 -0.338 0.000 1.427 849 F CB -0.739 37.972 39.000 -0.481 0.000 1.125 849 F HN -0.062 nan 8.300 nan 0.000 0.583 850 A N 2.093 124.276 122.820 -1.061 0.000 1.893 850 A HA -0.361 3.958 4.320 -0.001 0.000 0.222 850 A C 1.622 179.001 177.584 -0.341 0.000 1.309 850 A CA 2.404 53.920 52.037 -0.869 0.000 0.681 850 A CB -1.645 17.058 19.000 -0.496 0.000 0.842 850 A HN 0.647 nan 8.150 nan 0.000 0.468 851 D N -0.871 119.417 120.400 -0.186 0.000 2.644 851 D HA 0.017 4.656 4.640 -0.001 0.000 0.252 851 D C 0.759 177.031 176.300 -0.047 0.000 1.254 851 D CA 0.726 54.676 54.000 -0.085 0.000 0.884 851 D CB -0.031 40.741 40.800 -0.045 0.000 1.034 851 D HN 0.727 nan 8.370 nan 0.000 0.473 852 Q N -0.461 119.313 119.800 -0.045 0.000 2.040 852 Q HA 0.240 4.579 4.340 -0.001 0.000 0.212 852 Q C -0.094 175.929 176.000 0.039 0.000 0.766 852 Q CA -0.216 55.597 55.803 0.016 0.000 0.967 852 Q CB 0.812 29.577 28.738 0.044 0.000 1.202 852 Q HN 0.239 nan 8.270 nan 0.000 0.446 853 L N 2.726 123.956 121.223 0.012 0.000 2.283 853 L HA 0.231 4.571 4.340 -0.001 0.000 0.287 853 L C 0.172 177.061 176.870 0.032 0.000 1.073 853 L CA -0.471 54.389 54.840 0.033 0.000 0.822 853 L CB 0.242 42.296 42.059 -0.008 0.000 1.186 853 L HN 0.310 nan 8.230 nan 0.000 0.436 854 H N 2.784 121.850 119.070 -0.007 0.000 3.058 854 H HA -0.155 4.400 4.556 -0.001 0.000 0.347 854 H C 1.242 176.567 175.328 -0.006 0.000 1.087 854 H CA 1.137 57.180 56.048 -0.007 0.000 1.375 854 H CB 0.680 30.438 29.762 -0.007 0.000 1.312 854 H HN 0.688 nan 8.280 nan 0.000 0.607 855 E N 1.909 121.447 120.200 -1.103 0.000 2.108 855 E HA -0.329 4.021 4.350 -0.001 0.000 0.203 855 E C 1.759 178.076 176.600 -0.471 0.000 1.022 855 E CA 2.222 58.186 56.400 -0.728 0.000 0.823 855 E CB -0.249 29.049 29.700 -0.670 0.000 0.744 855 E HN 0.693 nan 8.360 nan 0.000 0.456 856 S N -0.168 115.243 115.700 -0.482 0.000 2.522 856 S HA -0.116 4.354 4.470 -0.001 0.000 0.227 856 S C 1.582 176.197 174.600 0.025 0.000 0.986 856 S CA 0.761 58.942 58.200 -0.031 0.000 0.929 856 S CB -0.113 63.199 63.200 0.185 0.000 0.769 856 S HN 0.499 nan 8.310 nan 0.000 0.529 857 Q N 0.312 120.129 119.800 0.027 0.000 2.201 857 Q HA 0.404 4.744 4.340 -0.001 0.000 0.236 857 Q C 0.771 176.779 176.000 0.014 0.000 0.857 857 Q CA -0.252 55.572 55.803 0.036 0.000 1.025 857 Q CB -0.294 28.478 28.738 0.058 0.000 1.124 857 Q HN 0.440 nan 8.270 nan 0.000 0.473 858 L N 1.542 122.758 121.223 -0.012 0.000 2.693 858 L HA -0.015 4.325 4.340 -0.001 0.000 0.242 858 L C 0.455 177.340 176.870 0.026 0.000 1.157 858 L CA 0.650 55.487 54.840 -0.004 0.000 0.929 858 L CB 0.052 42.094 42.059 -0.028 0.000 1.103 858 L HN 0.433 nan 8.230 nan 0.000 0.430 859 D N -2.647 117.771 120.400 0.032 0.000 2.348 859 D HA -0.107 4.533 4.640 -0.001 0.000 0.283 859 D C 1.661 177.994 176.300 0.054 0.000 1.096 859 D CA -0.107 53.919 54.000 0.044 0.000 0.863 859 D CB -0.177 40.641 40.800 0.031 0.000 1.465 859 D HN -0.229 nan 8.370 nan 0.000 0.515 860 K N -0.036 120.392 120.400 0.045 0.000 2.589 860 K HA 0.114 4.434 4.320 -0.001 0.000 0.192 860 K C 0.055 176.691 176.600 0.060 0.000 1.029 860 K CA -0.117 56.197 56.287 0.044 0.000 1.031 860 K CB -0.252 32.265 32.500 0.027 0.000 0.821 860 K HN 0.168 nan 8.250 nan 0.000 0.502 861 M N 3.279 122.930 119.600 0.085 0.000 2.261 861 M HA 0.192 4.672 4.480 -0.001 0.000 0.349 861 M C -2.203 174.224 176.300 0.212 0.000 1.305 861 M CA -2.884 52.495 55.300 0.131 0.000 1.240 861 M CB 0.786 33.471 32.600 0.143 0.000 1.394 861 M HN -0.159 nan 8.290 nan 0.000 0.438 862 P HA 0.106 nan 4.420 nan 0.000 0.267 862 P C -0.765 176.755 177.300 0.368 0.000 1.201 862 P CA -0.098 63.161 63.100 0.265 0.000 0.775 862 P CB 0.307 32.173 31.700 0.276 0.000 0.854 863 A N 2.770 125.722 122.820 0.220 0.000 2.366 863 A HA 0.254 4.574 4.320 -0.001 0.000 0.249 863 A C 0.232 177.831 177.584 0.025 0.000 1.084 863 A CA -0.495 51.635 52.037 0.155 0.000 0.794 863 A CB -0.346 18.688 19.000 0.055 0.000 1.034 863 A HN 0.529 nan 8.150 nan 0.000 0.491 864 L N 3.057 124.196 121.223 -0.140 0.000 2.534 864 L HA 0.194 4.534 4.340 -0.001 0.000 0.271 864 L C -1.370 175.302 176.870 -0.329 0.000 1.178 864 L CA -0.433 54.100 54.840 -0.511 0.000 0.907 864 L CB -0.222 41.538 42.059 -0.498 0.000 1.164 864 L HN 0.550 nan 8.230 nan 0.000 0.482 865 P HA 0.028 nan 4.420 nan 0.000 0.266 865 P C -0.622 176.586 177.300 -0.153 0.000 1.186 865 P CA -0.366 62.626 63.100 -0.181 0.000 0.767 865 P CB 0.537 32.143 31.700 -0.158 0.000 0.820 866 A N 2.897 125.658 122.820 -0.098 0.000 2.386 866 A HA 0.231 4.551 4.320 -0.001 0.000 0.248 866 A C 0.605 178.147 177.584 -0.070 0.000 1.082 866 A CA -0.065 51.925 52.037 -0.079 0.000 0.789 866 A CB -0.077 18.889 19.000 -0.056 0.000 1.025 866 A HN 0.452 nan 8.150 nan 0.000 0.490 867 K N -0.164 120.201 120.400 -0.058 0.000 2.140 867 K HA 0.561 4.880 4.320 -0.001 0.000 0.237 867 K C 0.848 177.426 176.600 -0.038 0.000 1.045 867 K CA 0.810 57.071 56.287 -0.044 0.000 0.896 867 K CB 0.469 32.949 32.500 -0.033 0.000 1.122 867 K HN 0.870 nan 8.250 nan 0.000 0.503 868 G N -0.831 107.950 108.800 -0.032 0.000 3.119 868 G HA2 0.213 4.172 3.960 -0.001 0.000 0.206 868 G HA3 0.213 4.172 3.960 -0.001 0.000 0.206 868 G C -0.484 174.400 174.900 -0.027 0.000 1.313 868 G CA -0.700 44.382 45.100 -0.031 0.000 1.010 868 G HN 0.654 nan 8.290 nan 0.000 0.578 869 N N -0.875 117.810 118.700 -0.026 0.000 2.214 869 N HA 0.178 4.918 4.740 -0.001 0.000 0.214 869 N C 0.215 175.711 175.510 -0.023 0.000 1.132 869 N CA -0.351 52.686 53.050 -0.023 0.000 0.856 869 N CB 0.845 39.319 38.487 -0.021 0.000 1.020 869 N HN 0.161 nan 8.380 nan 0.000 0.509 870 L N 1.453 122.660 121.223 -0.028 0.000 2.426 870 L HA 0.117 4.457 4.340 -0.001 0.000 0.271 870 L C 0.042 176.896 176.870 -0.026 0.000 1.169 870 L CA -0.022 54.799 54.840 -0.031 0.000 0.836 870 L CB 0.528 42.561 42.059 -0.042 0.000 1.112 870 L HN 0.052 nan 8.230 nan 0.000 0.465 871 N N 3.642 122.327 118.700 -0.025 0.000 2.707 871 N HA 0.208 4.947 4.740 -0.001 0.000 0.235 871 N C 0.786 176.282 175.510 -0.023 0.000 1.028 871 N CA -0.315 52.723 53.050 -0.020 0.000 0.906 871 N CB 0.393 38.870 38.487 -0.018 0.000 1.131 871 N HN 0.727 nan 8.380 nan 0.000 0.509 872 L N 1.245 122.456 121.223 -0.020 0.000 2.171 872 L HA -0.297 4.042 4.340 -0.001 0.000 0.216 872 L C 2.193 179.049 176.870 -0.024 0.000 1.084 872 L CA 1.065 55.892 54.840 -0.021 0.000 0.771 872 L CB -0.289 41.776 42.059 0.009 0.000 0.890 872 L HN 0.559 nan 8.230 nan 0.000 0.437 873 R N 0.068 120.557 120.500 -0.019 0.000 2.159 873 R HA -0.158 4.181 4.340 -0.001 0.000 0.237 873 R C 1.693 177.976 176.300 -0.028 0.000 1.131 873 R CA 1.212 57.299 56.100 -0.021 0.000 0.982 873 R CB -0.708 29.583 30.300 -0.015 0.000 0.868 873 R HN 0.513 nan 8.270 nan 0.000 0.453 874 D N 0.608 120.990 120.400 -0.030 0.000 2.178 874 D HA -0.131 4.509 4.640 -0.001 0.000 0.201 874 D C 1.950 178.222 176.300 -0.047 0.000 0.980 874 D CA 0.783 54.762 54.000 -0.035 0.000 0.842 874 D CB -0.103 40.677 40.800 -0.033 0.000 0.948 874 D HN 0.249 nan 8.370 nan 0.000 0.472 875 I N 1.038 121.575 120.570 -0.054 0.000 2.248 875 I HA -0.282 3.888 4.170 -0.001 0.000 0.248 875 I C 2.278 178.346 176.117 -0.082 0.000 1.107 875 I CA 0.747 62.004 61.300 -0.072 0.000 1.373 875 I CB -0.187 37.766 38.000 -0.079 0.000 1.055 875 I HN 0.012 nan 8.210 nan 0.000 0.418 876 L N 0.068 121.253 121.223 -0.064 0.000 2.349 876 L HA -0.197 4.142 4.340 -0.001 0.000 0.220 876 L C 1.315 178.155 176.870 -0.051 0.000 1.130 876 L CA 1.265 56.070 54.840 -0.058 0.000 0.791 876 L CB -0.440 41.602 42.059 -0.029 0.000 0.918 876 L HN 0.335 nan 8.230 nan 0.000 0.444 877 E N -1.715 118.453 120.200 -0.053 0.000 2.660 877 E HA 0.112 4.461 4.350 -0.001 0.000 0.216 877 E C 0.140 176.695 176.600 -0.075 0.000 0.986 877 E CA -0.192 56.179 56.400 -0.049 0.000 1.037 877 E CB 0.941 30.617 29.700 -0.040 0.000 1.041 877 E HN 0.009 nan 8.360 nan 0.000 0.480 878 S N 1.161 116.810 115.700 -0.085 0.000 2.430 878 S HA 0.063 4.533 4.470 -0.001 0.000 0.289 878 S C 0.527 175.073 174.600 -0.091 0.000 1.143 878 S CA -0.500 57.642 58.200 -0.097 0.000 1.067 878 S CB 0.636 63.801 63.200 -0.058 0.000 0.964 878 S HN 0.116 nan 8.310 nan 0.000 0.485 879 D N 3.491 123.762 120.400 -0.215 0.000 2.103 879 D HA -0.038 4.601 4.640 -0.001 0.000 0.199 879 D C 0.775 177.316 176.300 0.403 0.000 0.978 879 D CA 1.303 55.239 54.000 -0.106 0.000 0.829 879 D CB -0.006 40.347 40.800 -0.745 0.000 0.981 879 D HN 0.639 nan 8.370 nan 0.000 0.464 880 F N 0.455 120.726 119.950 0.534 0.000 2.695 880 F HA 0.274 4.800 4.527 -0.001 0.000 0.301 880 F C 1.227 177.210 175.800 0.305 0.000 1.182 880 F CA -0.455 57.902 58.000 0.594 0.000 1.412 880 F CB -0.679 38.531 39.000 0.350 0.000 1.056 880 F HN -0.166 nan 8.300 nan 0.000 0.522 881 A N -0.099 122.958 122.820 0.395 0.000 2.911 881 A HA 0.357 4.676 4.320 -0.001 0.000 0.304 881 A C -0.088 177.618 177.584 0.203 0.000 1.144 881 A CA -0.539 51.588 52.037 0.151 0.000 0.988 881 A CB -1.135 17.876 19.000 0.017 0.000 1.141 881 A HN 0.065 nan 8.150 nan 0.000 0.552 882 F N 0.632 120.662 119.950 0.133 0.000 2.224 882 F HA 0.221 4.747 4.527 -0.001 0.000 0.374 882 F C 1.145 177.004 175.800 0.098 0.000 1.019 882 F CA 0.794 58.866 58.000 0.120 0.000 0.917 882 F CB -2.250 37.023 39.000 0.454 0.000 0.799 882 F HN 1.001 nan 8.300 nan 0.000 0.506 883 A N 0.000 122.888 122.820 0.113 0.000 2.254 883 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 883 A CA 0.000 52.121 52.037 0.141 0.000 0.836 883 A CB 0.000 19.356 19.000 0.593 0.000 0.831 883 A HN 0.000 nan 8.150 nan 0.000 0.486