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 2jcm_1_A DATA FIRST_RESID 3 DATA SEQUENCE TSWSDRLQNA ADMPANMDKH ALKKYRREAY HRVFVNRSLA MEKIKCFGFX DATA SEQUENCE MDYTLAVYKS PEYESLGFEL TVERLVSIGY PQELLSFAYD STFPTRGLVF DATA SEQUENCE DTLYGNLLKV DAYGNLLVCA HGFNFIRGPE TREQYPNKFI QRDDTERFYI DATA SEQUENCE LNTLFNLPET YLLACLVDFF TNCPRYTSCE TGFKDGDLFM SYRSMFQDVR DATA SEQUENCE DAVDWVHYKG SLKEKTVENL EKYVVKDGKL PLLLSRMKEV GKVFLATNSD DATA SEQUENCE YKYTDKIMTY LFDFPHGPKP GSSHRPWQSY FDLILVDARK PLFFGEGTVL DATA SEQUENCE RQVDTKTGKL KIGTYTGPLQ HGIVYSGGSS DTICDLLGAK GKDILYIGDH DATA SEQUENCE IFGDILKSKK RQGWRTFLVI PELAQELHVW TDKSSLFEEL QSLDIFLAXX DATA SEQUENCE XXXXXXXXXX XXXXXXXQRR IKKVTHDMDM CYGMMGSLFR SGSRQTLFAS DATA SEQUENCE QVMRYADLYA ASFINLLYYP FSYLFRAAHV LMPHES 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.655 174.700 -0.075 0.000 1.109 3 T CA 0.000 62.050 62.100 -0.083 0.000 1.349 3 T CB 0.000 68.811 68.868 -0.096 0.000 0.612 4 S N 0.415 116.052 115.700 -0.105 0.000 2.718 4 S HA 0.535 5.006 4.470 0.001 0.000 0.300 4 S C 1.468 176.025 174.600 -0.072 0.000 1.117 4 S CA -0.510 57.595 58.200 -0.158 0.000 1.002 4 S CB 0.795 63.785 63.200 -0.349 0.000 1.092 4 S HN 1.170 nan 8.310 nan 0.000 0.542 5 W N 0.941 122.279 121.300 0.064 0.000 2.374 5 W HA -0.071 4.590 4.660 0.001 0.000 0.288 5 W C 1.661 178.237 176.519 0.094 0.000 1.218 5 W CA 1.241 58.639 57.345 0.089 0.000 1.245 5 W CB -1.763 27.761 29.460 0.107 0.000 1.126 5 W HN 0.800 nan 8.180 nan 0.000 0.545 6 S N 0.308 115.924 115.700 -0.139 0.000 2.453 6 S HA -0.165 4.306 4.470 0.001 0.000 0.231 6 S C 1.280 175.881 174.600 0.001 0.000 1.005 6 S CA 1.334 59.520 58.200 -0.024 0.000 0.949 6 S CB -0.550 62.454 63.200 -0.326 0.000 0.774 6 S HN -0.003 nan 8.310 nan 0.000 0.510 7 D N 1.987 122.353 120.400 -0.058 0.000 2.084 7 D HA -0.022 4.619 4.640 0.001 0.000 0.196 7 D C 2.339 178.649 176.300 0.017 0.000 0.985 7 D CA 0.948 54.928 54.000 -0.033 0.000 0.826 7 D CB -0.209 40.551 40.800 -0.067 0.000 0.978 7 D HN 0.267 nan 8.370 nan 0.000 0.456 8 R N 0.584 121.111 120.500 0.045 0.000 2.082 8 R HA -0.093 4.248 4.340 0.001 0.000 0.234 8 R C 2.693 179.071 176.300 0.131 0.000 1.136 8 R CA 0.518 56.661 56.100 0.070 0.000 0.935 8 R CB -1.295 29.071 30.300 0.111 0.000 0.842 8 R HN 0.288 nan 8.270 nan 0.000 0.430 9 L N 0.848 122.183 121.223 0.187 0.000 1.978 9 L HA -0.288 4.052 4.340 0.001 0.000 0.218 9 L C 2.801 179.751 176.870 0.133 0.000 1.075 9 L CA 1.888 56.842 54.840 0.190 0.000 0.767 9 L CB -0.575 41.631 42.059 0.246 0.000 0.890 9 L HN 0.185 nan 8.230 nan 0.000 0.434 10 Q N 0.043 119.905 119.800 0.104 0.000 2.170 10 Q HA -0.191 4.149 4.340 0.001 0.000 0.203 10 Q C 1.867 177.908 176.000 0.068 0.000 0.976 10 Q CA 1.618 57.467 55.803 0.076 0.000 0.858 10 Q CB -0.125 28.645 28.738 0.054 0.000 0.907 10 Q HN 0.382 nan 8.270 nan 0.000 0.433 11 N N -0.112 118.628 118.700 0.066 0.000 2.069 11 N HA -0.132 4.609 4.740 0.001 0.000 0.191 11 N C 1.404 176.967 175.510 0.089 0.000 1.031 11 N CA 1.685 54.772 53.050 0.062 0.000 0.852 11 N CB -0.636 37.879 38.487 0.046 0.000 1.018 11 N HN 0.411 nan 8.380 nan 0.000 0.423 12 A N 0.625 123.523 122.820 0.129 0.000 1.930 12 A HA 0.106 4.427 4.320 0.001 0.000 0.217 12 A C 2.290 179.938 177.584 0.106 0.000 1.175 12 A CA 1.728 53.865 52.037 0.167 0.000 0.627 12 A CB -0.859 18.298 19.000 0.262 0.000 0.815 12 A HN 0.301 nan 8.150 nan 0.000 0.443 13 A N -0.088 122.781 122.820 0.082 0.000 1.978 13 A HA -0.186 4.135 4.320 0.001 0.000 0.220 13 A C 1.606 179.209 177.584 0.032 0.000 1.170 13 A CA 1.895 53.957 52.037 0.043 0.000 0.636 13 A CB -0.498 18.531 19.000 0.048 0.000 0.810 13 A HN 0.424 nan 8.150 nan 0.000 0.448 14 D N -0.826 119.602 120.400 0.046 0.000 2.347 14 D HA 0.071 4.712 4.640 0.001 0.000 0.215 14 D C 0.524 176.835 176.300 0.018 0.000 0.976 14 D CA 0.458 54.483 54.000 0.042 0.000 0.884 14 D CB -0.114 40.712 40.800 0.044 0.000 0.915 14 D HN 0.456 nan 8.370 nan 0.000 0.526 15 M N 1.934 121.540 119.600 0.009 0.000 2.180 15 M HA 0.216 4.697 4.480 0.001 0.000 0.358 15 M C -2.130 174.132 176.300 -0.063 0.000 1.233 15 M CA -1.651 53.636 55.300 -0.021 0.000 1.114 15 M CB 1.399 33.992 32.600 -0.012 0.000 1.594 15 M HN -0.251 nan 8.290 nan 0.000 0.467 16 P HA 0.116 nan 4.420 nan 0.000 0.270 16 P C -1.163 176.052 177.300 -0.141 0.000 1.223 16 P CA -0.327 62.704 63.100 -0.114 0.000 0.785 16 P CB 0.407 32.044 31.700 -0.106 0.000 0.923 17 A N 2.201 124.940 122.820 -0.134 0.000 2.320 17 A HA 0.214 4.535 4.320 0.001 0.000 0.287 17 A C 0.421 177.920 177.584 -0.142 0.000 1.181 17 A CA -0.322 51.639 52.037 -0.127 0.000 0.831 17 A CB -0.586 18.370 19.000 -0.072 0.000 1.102 17 A HN 0.517 nan 8.150 nan 0.000 0.513 18 N N 3.273 121.857 118.700 -0.194 0.000 2.558 18 N HA 0.188 4.929 4.740 0.001 0.000 0.233 18 N C 0.334 175.763 175.510 -0.135 0.000 1.038 18 N CA -0.459 52.491 53.050 -0.166 0.000 0.934 18 N CB 0.516 38.880 38.487 -0.206 0.000 1.175 18 N HN 0.505 nan 8.380 nan 0.000 0.512 19 M N 0.195 119.744 119.600 -0.085 0.000 2.628 19 M HA 0.054 4.535 4.480 0.001 0.000 0.232 19 M C 0.329 176.604 176.300 -0.043 0.000 1.128 19 M CA 0.067 55.334 55.300 -0.056 0.000 1.040 19 M CB -1.059 31.516 32.600 -0.041 0.000 1.608 19 M HN 0.454 nan 8.290 nan 0.000 0.507 20 D N 1.716 122.090 120.400 -0.043 0.000 2.487 20 D HA -0.074 4.567 4.640 0.001 0.000 0.243 20 D C 0.692 176.990 176.300 -0.003 0.000 1.154 20 D CA 0.510 54.505 54.000 -0.008 0.000 0.876 20 D CB 1.100 41.895 40.800 -0.007 0.000 1.161 20 D HN 0.236 nan 8.370 nan 0.000 0.478 21 K N 2.557 122.966 120.400 0.016 0.000 2.209 21 K HA -0.176 4.145 4.320 0.001 0.000 0.204 21 K C 1.573 178.093 176.600 -0.132 0.000 1.048 21 K CA 1.016 57.263 56.287 -0.066 0.000 0.940 21 K CB 0.009 32.449 32.500 -0.100 0.000 0.729 21 K HN 0.550 nan 8.250 nan 0.000 0.451 22 H N -0.044 118.996 119.070 -0.050 0.000 2.403 22 H HA 0.038 4.595 4.556 0.001 0.000 0.298 22 H C 1.985 177.277 175.328 -0.060 0.000 1.059 22 H CA 1.226 57.246 56.048 -0.048 0.000 1.363 22 H CB -0.066 29.674 29.762 -0.037 0.000 1.410 22 H HN 0.214 nan 8.280 nan 0.000 0.528 23 A N 0.923 123.767 122.820 0.041 0.000 1.902 23 A HA -0.133 4.187 4.320 0.001 0.000 0.217 23 A C 2.274 179.802 177.584 -0.093 0.000 1.181 23 A CA 1.310 53.322 52.037 -0.043 0.000 0.623 23 A CB -0.840 18.103 19.000 -0.095 0.000 0.818 23 A HN 0.316 nan 8.150 nan 0.000 0.443 24 L N -0.731 120.427 121.223 -0.107 0.000 1.989 24 L HA -0.242 4.099 4.340 0.001 0.000 0.211 24 L C 2.680 179.461 176.870 -0.147 0.000 1.071 24 L CA 2.115 56.877 54.840 -0.130 0.000 0.749 24 L CB -0.522 41.476 42.059 -0.102 0.000 0.890 24 L HN 0.423 nan 8.230 nan 0.000 0.431 25 K N 0.446 120.759 120.400 -0.145 0.000 2.063 25 K HA -0.269 4.051 4.320 0.001 0.000 0.208 25 K C 2.250 178.787 176.600 -0.105 0.000 1.048 25 K CA 1.749 57.944 56.287 -0.152 0.000 0.928 25 K CB -0.013 32.406 32.500 -0.134 0.000 0.713 25 K HN 0.131 nan 8.250 nan 0.000 0.442 26 K N -0.546 119.824 120.400 -0.050 0.000 2.025 26 K HA -0.202 4.119 4.320 0.001 0.000 0.207 26 K C 2.138 178.735 176.600 -0.004 0.000 1.049 26 K CA 1.396 57.676 56.287 -0.013 0.000 0.933 26 K CB -0.270 32.243 32.500 0.021 0.000 0.714 26 K HN 0.120 nan 8.250 nan 0.000 0.438 27 Y N 2.079 122.270 120.300 -0.182 0.000 2.181 27 Y HA -0.178 4.373 4.550 0.002 0.000 0.288 27 Y C 2.165 177.975 175.900 -0.150 0.000 1.146 27 Y CA 2.067 60.036 58.100 -0.218 0.000 1.164 27 Y CB -0.026 38.137 38.460 -0.496 0.000 0.982 27 Y HN 0.120 nan 8.280 nan 0.000 0.515 28 R N -0.210 120.204 120.500 -0.144 0.000 2.299 28 R HA 0.047 4.388 4.340 0.001 0.000 0.197 28 R C 1.436 177.634 176.300 -0.171 0.000 0.971 28 R CA 0.321 56.316 56.100 -0.176 0.000 1.030 28 R CB -0.178 29.883 30.300 -0.398 0.000 0.932 28 R HN 0.178 nan 8.270 nan 0.000 0.477 29 R N 1.365 121.779 120.500 -0.144 0.000 2.193 29 R HA 0.081 4.422 4.340 0.001 0.000 0.213 29 R C 0.025 176.239 176.300 -0.143 0.000 1.055 29 R CA 0.437 56.469 56.100 -0.114 0.000 0.995 29 R CB -0.111 30.146 30.300 -0.071 0.000 0.893 29 R HN 0.430 nan 8.270 nan 0.000 0.459 30 E N 0.756 120.848 120.200 -0.181 0.000 2.376 30 E HA 0.131 4.482 4.350 0.001 0.000 0.266 30 E C 0.805 177.156 176.600 -0.415 0.000 1.009 30 E CA -0.043 56.196 56.400 -0.270 0.000 0.902 30 E CB 1.081 30.627 29.700 -0.257 0.000 0.972 30 E HN 0.107 nan 8.360 nan 0.000 0.439 31 A N 3.936 126.404 122.820 -0.588 0.000 1.917 31 A HA -0.238 4.083 4.320 0.001 0.000 0.219 31 A C 1.487 178.760 177.584 -0.518 0.000 1.182 31 A CA 1.519 53.248 52.037 -0.513 0.000 0.633 31 A CB -0.641 17.970 19.000 -0.648 0.000 0.819 31 A HN 0.700 nan 8.150 nan 0.000 0.448 32 Y N -0.667 119.437 120.300 -0.326 0.000 2.403 32 Y HA -0.120 4.432 4.550 0.002 0.000 0.291 32 Y C 1.847 177.551 175.900 -0.327 0.000 1.143 32 Y CA 1.452 59.313 58.100 -0.398 0.000 1.257 32 Y CB -0.731 37.388 38.460 -0.568 0.000 0.984 32 Y HN 0.624 nan 8.280 nan 0.000 0.550 33 H N -1.558 117.473 119.070 -0.065 0.000 2.784 33 H HA 0.286 4.843 4.556 0.001 0.000 0.273 33 H C 0.567 175.903 175.328 0.012 0.000 1.112 33 H CA -0.483 55.545 56.048 -0.033 0.000 1.162 33 H CB 0.600 30.125 29.762 -0.394 0.000 1.586 33 H HN -0.029 nan 8.280 nan 0.000 0.548 34 R N 1.534 121.975 120.500 -0.098 0.000 2.459 34 R HA 0.350 4.691 4.340 0.001 0.000 0.281 34 R C -0.850 175.208 176.300 -0.404 0.000 1.050 34 R CA -0.508 55.417 56.100 -0.291 0.000 1.055 34 R CB 0.892 30.751 30.300 -0.736 0.000 1.045 34 R HN -0.028 nan 8.270 nan 0.000 0.495 35 V N 5.343 125.088 119.914 -0.281 0.000 2.407 35 V HA 0.317 4.438 4.120 0.001 0.000 0.278 35 V C -0.478 175.165 176.094 -0.752 0.000 1.037 35 V CA -0.280 61.716 62.300 -0.506 0.000 0.900 35 V CB 0.930 32.422 31.823 -0.552 0.000 0.983 35 V HN 0.555 nan 8.190 nan 0.000 0.459 36 F N 3.468 123.047 119.950 -0.619 0.000 2.397 36 F HA 0.657 5.183 4.527 -0.001 0.000 0.331 36 F C 0.187 175.656 175.800 -0.550 0.000 1.090 36 F CA -0.672 56.924 58.000 -0.674 0.000 1.065 36 F CB 1.775 40.046 39.000 -1.215 0.000 1.184 36 F HN 0.146 nan 8.300 nan 0.000 0.499 37 V N 3.079 122.937 119.914 -0.093 0.000 2.531 37 V HA 0.305 4.425 4.120 0.001 0.000 0.301 37 V C 0.018 176.137 176.094 0.041 0.000 1.034 37 V CA -0.780 61.496 62.300 -0.040 0.000 0.865 37 V CB 1.567 33.423 31.823 0.055 0.000 0.995 37 V HN 0.757 nan 8.190 nan 0.000 0.424 38 N N 2.894 121.623 118.700 0.049 0.000 2.439 38 N HA 0.200 4.941 4.740 0.001 0.000 0.176 38 N C 0.530 176.060 175.510 0.032 0.000 1.029 38 N CA 0.418 53.496 53.050 0.047 0.000 0.886 38 N CB 0.661 39.167 38.487 0.031 0.000 1.057 38 N HN 0.546 nan 8.380 nan 0.000 0.437 39 R N 0.070 120.592 120.500 0.037 0.000 2.686 39 R HA 0.390 4.731 4.340 0.001 0.000 0.283 39 R C -0.707 175.639 176.300 0.076 0.000 0.978 39 R CA -0.464 55.667 56.100 0.052 0.000 0.897 39 R CB 2.140 32.465 30.300 0.041 0.000 1.192 39 R HN -0.105 nan 8.270 nan 0.000 0.457 40 S N 1.994 117.750 115.700 0.093 0.000 2.549 40 S HA 0.173 4.644 4.470 0.001 0.000 0.286 40 S C -0.507 174.170 174.600 0.129 0.000 1.314 40 S CA -0.100 58.170 58.200 0.116 0.000 1.062 40 S CB 0.309 63.571 63.200 0.102 0.000 0.865 40 S HN 0.374 nan 8.310 nan 0.000 0.498 41 L N 2.663 123.999 121.223 0.189 0.000 2.482 41 L HA 0.613 4.954 4.340 0.001 0.000 0.269 41 L C -0.540 176.485 176.870 0.258 0.000 0.967 41 L CA -0.519 54.447 54.840 0.209 0.000 0.851 41 L CB 1.171 43.355 42.059 0.209 0.000 1.242 41 L HN 0.693 nan 8.230 nan 0.000 0.404 42 A N 5.687 128.608 122.820 0.168 0.000 2.343 42 A HA 0.310 4.631 4.320 0.001 0.000 0.305 42 A C 1.112 178.809 177.584 0.189 0.000 1.308 42 A CA -0.458 51.662 52.037 0.137 0.000 0.949 42 A CB 0.405 19.453 19.000 0.080 0.000 1.148 42 A HN 0.879 nan 8.150 nan 0.000 0.545 43 M N 0.923 120.682 119.600 0.265 0.000 2.267 43 M HA -0.148 4.333 4.480 0.001 0.000 0.263 43 M C 1.690 178.157 176.300 0.277 0.000 1.063 43 M CA 1.444 56.952 55.300 0.347 0.000 1.090 43 M CB -0.701 32.176 32.600 0.462 0.000 1.392 43 M HN 0.921 nan 8.290 nan 0.000 0.422 44 E N 0.318 120.637 120.200 0.198 0.000 2.204 44 E HA -0.173 4.178 4.350 0.001 0.000 0.195 44 E C 1.723 178.380 176.600 0.095 0.000 0.990 44 E CA 0.848 57.339 56.400 0.151 0.000 0.821 44 E CB 0.164 29.929 29.700 0.109 0.000 0.750 44 E HN 0.498 nan 8.360 nan 0.000 0.477 45 K N 0.168 120.616 120.400 0.080 0.000 2.288 45 K HA -0.041 4.280 4.320 0.001 0.000 0.201 45 K C 0.514 177.108 176.600 -0.010 0.000 1.048 45 K CA 0.300 56.609 56.287 0.038 0.000 0.956 45 K CB 0.271 32.796 32.500 0.042 0.000 0.746 45 K HN 0.083 nan 8.250 nan 0.000 0.461 46 I N 2.404 122.963 120.570 -0.018 0.000 2.452 46 I HA -0.029 4.142 4.170 0.001 0.000 0.287 46 I C 1.127 177.068 176.117 -0.293 0.000 1.079 46 I CA 0.449 61.628 61.300 -0.201 0.000 1.387 46 I CB 1.002 38.827 38.000 -0.292 0.000 1.404 46 I HN -0.032 nan 8.210 nan 0.000 0.522 47 K N 4.209 124.437 120.400 -0.286 0.000 2.335 47 K HA 0.195 4.516 4.320 0.001 0.000 0.195 47 K C -0.003 176.449 176.600 -0.248 0.000 1.058 47 K CA 0.591 56.754 56.287 -0.207 0.000 0.988 47 K CB 0.259 32.697 32.500 -0.103 0.000 0.880 47 K HN 0.554 nan 8.250 nan 0.000 0.513 48 C N 1.453 120.551 119.300 -0.337 0.000 2.441 48 C HA 0.579 5.040 4.460 0.001 0.000 0.318 48 C C -0.592 174.168 174.990 -0.384 0.000 1.222 48 C CA -1.079 57.836 59.018 -0.172 0.000 1.474 48 C CB -0.219 27.579 27.740 0.096 0.000 2.125 48 C HN 0.117 nan 8.230 nan 0.000 0.479 49 F N 1.789 121.768 119.950 0.047 0.000 2.411 49 F HA 0.612 5.139 4.527 0.001 0.000 0.352 49 F C 0.886 176.463 175.800 -0.372 0.000 1.123 49 F CA -0.005 57.921 58.000 -0.123 0.000 1.044 49 F CB 1.326 40.319 39.000 -0.011 0.000 1.135 49 F HN 0.770 nan 8.300 nan 0.000 0.461 50 G N 2.932 111.373 108.800 -0.598 0.000 2.452 50 G HA2 0.682 4.643 3.960 0.001 0.000 0.324 50 G HA3 0.682 4.643 3.960 0.001 0.000 0.324 50 G C -1.482 172.982 174.900 -0.726 0.000 1.214 50 G CA -0.390 43.947 45.100 -1.271 0.000 0.947 50 G HN 0.428 nan 8.290 nan 0.000 0.478 54 D N 1.316 121.859 120.400 0.238 0.000 2.383 54 D HA 0.275 4.916 4.640 0.001 0.000 0.252 54 D C -0.716 175.766 176.300 0.304 0.000 1.166 54 D CA 0.634 54.828 54.000 0.323 0.000 0.879 54 D CB 0.239 41.454 40.800 0.692 0.000 1.164 54 D HN 0.376 nan 8.370 nan 0.000 0.462 55 Y N 0.328 120.675 120.300 0.078 0.000 4.604 55 Y HA -0.335 4.216 4.550 0.001 0.000 0.230 55 Y C 1.264 177.229 175.900 0.108 0.000 1.066 55 Y CA 1.136 59.267 58.100 0.052 0.000 1.990 55 Y CB -2.098 36.372 38.460 0.017 0.000 1.619 55 Y HN 0.501 nan 8.280 nan 0.000 0.649 56 T N -1.865 112.822 114.554 0.221 0.000 3.393 56 T HA 0.235 4.586 4.350 0.001 0.000 0.231 56 T C 1.642 176.497 174.700 0.257 0.000 0.983 56 T CA 0.473 62.723 62.100 0.250 0.000 1.272 56 T CB -0.121 68.855 68.868 0.179 0.000 1.214 56 T HN 0.123 nan 8.240 nan 0.000 0.368 57 L N 0.952 122.215 121.223 0.066 0.000 2.162 57 L HA 0.354 4.694 4.340 0.001 0.000 0.205 57 L C 1.199 178.090 176.870 0.034 0.000 1.086 57 L CA 0.410 55.247 54.840 -0.005 0.000 0.778 57 L CB -0.130 41.827 42.059 -0.171 0.000 0.928 57 L HN 0.200 nan 8.230 nan 0.000 0.446 58 A N 0.442 123.199 122.820 -0.105 0.000 2.540 58 A HA 0.515 4.836 4.320 0.001 0.000 0.340 58 A C -0.591 176.671 177.584 -0.537 0.000 1.424 58 A CA -0.275 51.567 52.037 -0.325 0.000 0.940 58 A CB 0.243 18.978 19.000 -0.442 0.000 1.149 58 A HN -0.047 nan 8.150 nan 0.000 0.505 59 V N 3.686 123.425 119.914 -0.291 0.000 2.383 59 V HA 0.200 4.321 4.120 0.001 0.000 0.275 59 V C -0.690 175.248 176.094 -0.261 0.000 1.036 59 V CA -0.254 61.952 62.300 -0.156 0.000 0.889 59 V CB 0.371 32.308 31.823 0.189 0.000 0.985 59 V HN 0.704 nan 8.190 nan 0.000 0.459 60 Y N 3.815 123.983 120.300 -0.220 0.000 2.336 60 Y HA 0.294 4.844 4.550 0.001 0.000 0.335 60 Y C 1.023 176.969 175.900 0.077 0.000 1.046 60 Y CA -0.589 57.349 58.100 -0.270 0.000 1.198 60 Y CB 0.502 38.380 38.460 -0.971 0.000 1.182 60 Y HN 0.483 nan 8.280 nan 0.000 0.502 61 K N 2.002 122.516 120.400 0.190 0.000 2.511 61 K HA 0.065 4.386 4.320 0.001 0.000 0.280 61 K C 0.197 176.828 176.600 0.053 0.000 1.008 61 K CA 0.188 56.521 56.287 0.077 0.000 1.050 61 K CB 0.438 32.966 32.500 0.047 0.000 0.889 61 K HN 0.570 nan 8.250 nan 0.000 0.484 62 S N 2.742 118.291 115.700 -0.252 0.000 2.549 62 S HA 0.376 4.847 4.470 0.001 0.000 0.297 62 S C -1.881 172.577 174.600 -0.236 0.000 1.115 62 S CA -1.871 56.145 58.200 -0.308 0.000 1.059 62 S CB 1.070 63.697 63.200 -0.954 0.000 1.046 62 S HN 0.417 nan 8.310 nan 0.000 0.506 63 P HA 0.150 nan 4.420 nan 0.000 0.249 63 P C 0.516 177.860 177.300 0.073 0.000 1.229 63 P CA 0.232 63.355 63.100 0.038 0.000 0.788 63 P CB 0.193 31.978 31.700 0.141 0.000 1.072 64 E N -0.136 120.114 120.200 0.083 0.000 2.068 64 E HA -0.245 4.106 4.350 0.001 0.000 0.207 64 E C 1.874 178.684 176.600 0.349 0.000 1.032 64 E CA 1.633 58.137 56.400 0.173 0.000 0.839 64 E CB -1.200 28.537 29.700 0.063 0.000 0.758 64 E HN 0.262 nan 8.360 nan 0.000 0.457 65 Y N 1.240 121.701 120.300 0.269 0.000 2.145 65 Y HA -0.212 4.339 4.550 0.001 0.000 0.286 65 Y C 2.007 177.926 175.900 0.031 0.000 1.145 65 Y CA 1.961 60.180 58.100 0.198 0.000 1.148 65 Y CB -0.154 38.438 38.460 0.220 0.000 0.981 65 Y HN 0.009 nan 8.280 nan 0.000 0.507 66 E N -0.700 119.510 120.200 0.018 0.000 2.085 66 E HA -0.225 4.126 4.350 0.001 0.000 0.194 66 E C 2.499 178.789 176.600 -0.517 0.000 0.994 66 E CA 1.625 57.834 56.400 -0.318 0.000 0.801 66 E CB -0.550 28.811 29.700 -0.566 0.000 0.743 66 E HN 0.272 nan 8.360 nan 0.000 0.453 67 S N -0.212 115.264 115.700 -0.374 0.000 2.368 67 S HA -0.122 4.349 4.470 0.001 0.000 0.225 67 S C 1.781 176.386 174.600 0.008 0.000 1.030 67 S CA 0.845 58.968 58.200 -0.127 0.000 0.999 67 S CB -0.239 62.995 63.200 0.057 0.000 0.844 67 S HN 0.210 nan 8.310 nan 0.000 0.459 68 L N 1.750 122.946 121.223 -0.045 0.000 1.970 68 L HA 0.035 4.376 4.340 0.001 0.000 0.212 68 L C 2.351 179.112 176.870 -0.181 0.000 1.071 68 L CA 2.449 57.220 54.840 -0.115 0.000 0.751 68 L CB -1.456 40.440 42.059 -0.272 0.000 0.889 68 L HN 0.334 nan 8.230 nan 0.000 0.432 69 G N -1.163 107.450 108.800 -0.311 0.000 2.476 69 G HA2 -0.397 3.563 3.960 0.001 0.000 0.218 69 G HA3 -0.397 3.563 3.960 0.001 0.000 0.218 69 G C 1.611 176.488 174.900 -0.039 0.000 1.164 69 G CA 1.112 46.072 45.100 -0.233 0.000 0.768 69 G HN 0.494 nan 8.290 nan 0.000 0.560 70 F N 1.338 121.224 119.950 -0.106 0.000 2.069 70 F HA -0.082 4.446 4.527 0.001 0.000 0.298 70 F C 2.605 178.425 175.800 0.033 0.000 1.113 70 F CA 2.286 60.301 58.000 0.024 0.000 1.214 70 F CB -0.241 38.834 39.000 0.124 0.000 0.978 70 F HN 0.288 nan 8.300 nan 0.000 0.474 71 E N 0.420 120.764 120.200 0.241 0.000 2.070 71 E HA -0.251 4.099 4.350 0.001 0.000 0.197 71 E C 2.210 178.788 176.600 -0.036 0.000 1.004 71 E CA 2.061 58.529 56.400 0.114 0.000 0.805 71 E CB -0.359 29.419 29.700 0.130 0.000 0.744 71 E HN 0.550 nan 8.360 nan 0.000 0.451 72 L N 0.139 121.330 121.223 -0.054 0.000 2.156 72 L HA -0.101 4.240 4.340 0.001 0.000 0.208 72 L C 2.654 179.476 176.870 -0.080 0.000 1.095 72 L CA 1.236 56.038 54.840 -0.063 0.000 0.770 72 L CB -0.518 41.500 42.059 -0.068 0.000 0.914 72 L HN 0.112 nan 8.230 nan 0.000 0.439 73 T N -0.239 114.245 114.554 -0.116 0.000 2.684 73 T HA -0.165 4.186 4.350 0.001 0.000 0.267 73 T C 2.060 176.605 174.700 -0.259 0.000 1.036 73 T CA 1.421 63.425 62.100 -0.160 0.000 1.148 73 T CB -0.261 68.514 68.868 -0.155 0.000 0.863 73 T HN 0.054 nan 8.240 nan 0.000 0.436 74 V N 1.501 121.214 119.914 -0.334 0.000 2.343 74 V HA -0.171 3.950 4.120 0.001 0.000 0.247 74 V C 2.506 178.437 176.094 -0.272 0.000 1.051 74 V CA 1.694 63.772 62.300 -0.369 0.000 1.036 74 V CB -0.555 31.006 31.823 -0.437 0.000 0.654 74 V HN 0.564 nan 8.190 nan 0.000 0.451 75 E N -0.283 119.798 120.200 -0.198 0.000 2.077 75 E HA -0.263 4.088 4.350 0.001 0.000 0.193 75 E C 2.378 178.864 176.600 -0.189 0.000 0.989 75 E CA 1.146 57.451 56.400 -0.158 0.000 0.800 75 E CB -0.206 29.436 29.700 -0.097 0.000 0.746 75 E HN 0.302 nan 8.360 nan 0.000 0.452 76 R N 1.548 121.917 120.500 -0.218 0.000 2.094 76 R HA -0.150 4.191 4.340 0.001 0.000 0.239 76 R C 2.128 178.232 176.300 -0.328 0.000 1.137 76 R CA 1.481 57.368 56.100 -0.355 0.000 0.943 76 R CB -0.842 29.238 30.300 -0.366 0.000 0.850 76 R HN 0.170 nan 8.270 nan 0.000 0.433 77 L N -0.542 120.498 121.223 -0.305 0.000 2.012 77 L HA -0.182 4.159 4.340 0.001 0.000 0.210 77 L C 2.427 179.230 176.870 -0.111 0.000 1.073 77 L CA 1.396 56.057 54.840 -0.298 0.000 0.748 77 L CB -0.601 41.141 42.059 -0.528 0.000 0.891 77 L HN 0.057 nan 8.230 nan 0.000 0.431 78 V N -0.816 119.012 119.914 -0.144 0.000 2.332 78 V HA -0.326 3.794 4.120 0.001 0.000 0.248 78 V C 2.746 178.794 176.094 -0.077 0.000 1.055 78 V CA 2.032 64.281 62.300 -0.085 0.000 1.038 78 V CB -0.348 31.393 31.823 -0.137 0.000 0.651 78 V HN 0.509 nan 8.190 nan 0.000 0.450 79 S N 0.347 115.969 115.700 -0.130 0.000 2.387 79 S HA -0.197 4.274 4.470 0.001 0.000 0.230 79 S C 1.764 176.290 174.600 -0.124 0.000 1.035 79 S CA 2.069 60.184 58.200 -0.141 0.000 1.014 79 S CB -0.494 62.580 63.200 -0.209 0.000 0.836 79 S HN 0.739 nan 8.310 nan 0.000 0.466 80 I N -2.983 117.520 120.570 -0.112 0.000 3.793 80 I HA 0.476 4.647 4.170 0.001 0.000 0.315 80 I C 1.196 177.308 176.117 -0.009 0.000 1.275 80 I CA 0.515 61.771 61.300 -0.073 0.000 1.214 80 I CB -0.115 37.829 38.000 -0.094 0.000 1.018 80 I HN 0.391 nan 8.210 nan 0.000 0.439 81 G N 0.148 108.955 108.800 0.011 0.000 2.205 81 G HA2 -0.232 3.729 3.960 0.001 0.000 0.180 81 G HA3 -0.232 3.729 3.960 0.001 0.000 0.180 81 G C -0.137 174.749 174.900 -0.024 0.000 1.004 81 G CA -0.512 44.580 45.100 -0.014 0.000 0.670 81 G HN 0.348 nan 8.290 nan 0.000 0.496 82 Y N 2.092 122.363 120.300 -0.049 0.000 2.457 82 Y HA 0.390 4.941 4.550 0.001 0.000 0.341 82 Y C -1.180 174.690 175.900 -0.049 0.000 1.240 82 Y CA -0.958 57.135 58.100 -0.011 0.000 1.437 82 Y CB 0.405 38.835 38.460 -0.050 0.000 1.328 82 Y HN 0.045 nan 8.280 nan 0.000 0.588 83 P HA -0.013 nan 4.420 nan 0.000 0.271 83 P C -0.283 176.921 177.300 -0.159 0.000 1.218 83 P CA -0.262 62.845 63.100 0.012 0.000 0.780 83 P CB 0.929 32.721 31.700 0.153 0.000 0.901 84 Q N 1.639 121.361 119.800 -0.130 0.000 2.248 84 Q HA -0.206 4.135 4.340 0.001 0.000 0.208 84 Q C 1.509 177.328 176.000 -0.302 0.000 0.984 84 Q CA 1.744 57.439 55.803 -0.179 0.000 0.875 84 Q CB -0.567 28.110 28.738 -0.102 0.000 0.910 84 Q HN 0.573 nan 8.270 nan 0.000 0.433 85 E N 0.548 120.512 120.200 -0.394 0.000 2.171 85 E HA -0.163 4.188 4.350 0.001 0.000 0.197 85 E C 1.875 177.925 176.600 -0.916 0.000 0.997 85 E CA 0.523 56.581 56.400 -0.571 0.000 0.810 85 E CB -0.290 28.958 29.700 -0.753 0.000 0.738 85 E HN 0.149 nan 8.360 nan 0.000 0.467 86 L N 0.107 120.642 121.223 -1.148 0.000 2.051 86 L HA -0.244 4.096 4.340 0.001 0.000 0.214 86 L C 2.035 178.289 176.870 -1.028 0.000 1.076 86 L CA 1.554 55.458 54.840 -1.559 0.000 0.758 86 L CB -0.604 40.909 42.059 -0.910 0.000 0.890 86 L HN 0.226 nan 8.230 nan 0.000 0.433 87 L N -1.025 119.872 121.223 -0.543 0.000 2.261 87 L HA -0.189 4.152 4.340 0.001 0.000 0.216 87 L C 2.367 179.142 176.870 -0.159 0.000 1.114 87 L CA 1.310 55.985 54.840 -0.275 0.000 0.777 87 L CB -0.721 41.230 42.059 -0.180 0.000 0.910 87 L HN 0.465 nan 8.230 nan 0.000 0.440 88 S N -1.163 114.423 115.700 -0.189 0.000 2.603 88 S HA 0.058 4.529 4.470 0.001 0.000 0.220 88 S C 0.653 175.379 174.600 0.211 0.000 0.967 88 S CA -0.435 57.767 58.200 0.004 0.000 0.920 88 S CB -0.265 62.940 63.200 0.009 0.000 0.773 88 S HN 0.033 nan 8.310 nan 0.000 0.529 89 F N 2.770 122.759 119.950 0.064 0.000 2.506 89 F HA 0.644 5.172 4.527 0.002 0.000 0.351 89 F C 0.817 176.810 175.800 0.322 0.000 1.136 89 F CA -1.619 56.507 58.000 0.211 0.000 1.298 89 F CB 0.274 39.467 39.000 0.323 0.000 1.145 89 F HN 0.263 nan 8.300 nan 0.000 0.593 90 A N 2.744 125.836 122.820 0.452 0.000 2.486 90 A HA 0.471 4.792 4.320 0.001 0.000 0.300 90 A C -1.649 175.909 177.584 -0.044 0.000 1.048 90 A CA -0.728 51.456 52.037 0.244 0.000 0.696 90 A CB 0.643 19.724 19.000 0.134 0.000 1.278 90 A HN 0.594 nan 8.150 nan 0.000 0.405 91 Y N 1.774 121.804 120.300 -0.449 0.000 2.620 91 Y HA 0.313 4.864 4.550 0.001 0.000 0.330 91 Y C -0.129 175.428 175.900 -0.572 0.000 1.186 91 Y CA 0.923 58.554 58.100 -0.782 0.000 1.467 91 Y CB 0.523 38.630 38.460 -0.587 0.000 1.262 91 Y HN 0.661 nan 8.280 nan 0.000 0.550 92 D N 3.555 122.884 120.400 -1.786 0.000 2.471 92 D HA 0.148 4.788 4.640 0.001 0.000 0.245 92 D C 0.412 175.897 176.300 -1.359 0.000 1.116 92 D CA -0.118 53.111 54.000 -1.284 0.000 0.853 92 D CB 1.246 41.423 40.800 -1.039 0.000 1.123 92 D HN 0.542 nan 8.370 nan 0.000 0.540 93 S N 1.458 116.689 115.700 -0.782 0.000 2.522 93 S HA -0.136 4.335 4.470 0.001 0.000 0.227 93 S C 1.670 176.156 174.600 -0.189 0.000 0.986 93 S CA 1.158 59.133 58.200 -0.376 0.000 0.929 93 S CB -0.470 62.719 63.200 -0.019 0.000 0.769 93 S HN 0.524 nan 8.310 nan 0.000 0.529 94 T N -1.907 112.523 114.554 -0.207 0.000 3.067 94 T HA 0.136 4.487 4.350 0.001 0.000 0.261 94 T C 1.239 175.909 174.700 -0.051 0.000 1.110 94 T CA 0.149 62.192 62.100 -0.095 0.000 1.113 94 T CB -0.617 68.200 68.868 -0.085 0.000 0.917 94 T HN 0.353 nan 8.240 nan 0.000 0.499 95 F N 4.204 124.043 119.950 -0.184 0.000 2.053 95 F HA 0.258 4.786 4.527 0.002 0.000 0.292 95 F C -1.669 174.198 175.800 0.111 0.000 1.125 95 F CA -0.393 57.615 58.000 0.013 0.000 1.193 95 F CB -0.612 38.479 39.000 0.152 0.000 0.996 95 F HN 0.076 nan 8.300 nan 0.000 0.470 96 P HA 0.184 nan 4.420 nan 0.000 0.285 96 P C -1.188 176.089 177.300 -0.037 0.000 1.259 96 P CA 0.106 63.220 63.100 0.022 0.000 0.794 96 P CB 1.684 33.594 31.700 0.349 0.000 0.940 97 T N 2.672 117.165 114.554 -0.103 0.000 2.888 97 T HA 0.365 4.715 4.350 0.001 0.000 0.284 97 T C 0.260 174.882 174.700 -0.130 0.000 1.017 97 T CA -0.597 61.429 62.100 -0.123 0.000 1.022 97 T CB 1.251 70.016 68.868 -0.170 0.000 1.013 97 T HN 0.339 nan 8.240 nan 0.000 0.465 98 R N 0.742 121.105 120.500 -0.228 0.000 2.594 98 R HA 0.429 4.770 4.340 0.001 0.000 0.272 98 R C 1.190 177.291 176.300 -0.332 0.000 1.074 98 R CA 1.332 57.265 56.100 -0.278 0.000 1.105 98 R CB -0.086 29.954 30.300 -0.433 0.000 1.008 98 R HN 0.981 nan 8.270 nan 0.000 0.472 99 G N 2.695 111.372 108.800 -0.205 0.000 2.141 99 G HA2 -0.233 3.728 3.960 0.001 0.000 0.231 99 G HA3 -0.233 3.728 3.960 0.001 0.000 0.231 99 G C 0.015 174.881 174.900 -0.057 0.000 0.984 99 G CA -0.067 44.957 45.100 -0.126 0.000 0.660 99 G HN 0.443 nan 8.290 nan 0.000 0.525 100 L N 0.203 121.410 121.223 -0.027 0.000 2.473 100 L HA 0.477 4.818 4.340 0.001 0.000 0.268 100 L C 0.796 177.701 176.870 0.059 0.000 1.215 100 L CA -0.534 54.319 54.840 0.021 0.000 0.823 100 L CB 1.032 43.133 42.059 0.070 0.000 1.099 100 L HN -0.044 nan 8.230 nan 0.000 0.483 101 V N 2.210 122.156 119.914 0.052 0.000 2.357 101 V HA 0.208 4.328 4.120 0.001 0.000 0.284 101 V C -0.328 175.860 176.094 0.157 0.000 1.018 101 V CA -0.442 61.903 62.300 0.076 0.000 0.841 101 V CB 1.236 33.041 31.823 -0.029 0.000 0.991 101 V HN 0.357 nan 8.190 nan 0.000 0.437 102 F N 4.395 124.390 119.950 0.074 0.000 2.444 102 F HA 0.361 4.889 4.527 0.001 0.000 0.360 102 F C 0.508 176.303 175.800 -0.008 0.000 1.106 102 F CA -0.569 57.435 58.000 0.007 0.000 1.170 102 F CB 0.716 39.665 39.000 -0.085 0.000 1.113 102 F HN 0.554 nan 8.300 nan 0.000 0.521 103 D N 4.137 124.257 120.400 -0.466 0.000 2.339 103 D HA 0.048 4.689 4.640 0.001 0.000 0.241 103 D C 1.187 177.107 176.300 -0.633 0.000 1.183 103 D CA 0.068 53.883 54.000 -0.308 0.000 0.859 103 D CB 1.172 41.982 40.800 0.016 0.000 1.067 103 D HN 0.678 nan 8.370 nan 0.000 0.484 104 T N 1.521 115.844 114.554 -0.384 0.000 3.055 104 T HA -0.121 4.230 4.350 0.001 0.000 0.265 104 T C 1.751 176.393 174.700 -0.098 0.000 1.111 104 T CA 0.063 62.090 62.100 -0.121 0.000 1.118 104 T CB -0.029 68.806 68.868 -0.054 0.000 0.909 104 T HN 0.275 nan 8.240 nan 0.000 0.501 105 L N 0.366 121.396 121.223 -0.321 0.000 1.988 105 L HA 0.161 4.502 4.340 0.001 0.000 0.207 105 L C 1.750 178.461 176.870 -0.264 0.000 1.071 105 L CA 1.693 56.277 54.840 -0.427 0.000 0.744 105 L CB -0.985 40.554 42.059 -0.867 0.000 0.893 105 L HN 0.262 nan 8.230 nan 0.000 0.433 106 Y N -0.181 120.065 120.300 -0.089 0.000 2.449 106 Y HA 0.448 4.998 4.550 0.001 0.000 0.254 106 Y C 1.672 177.275 175.900 -0.494 0.000 1.140 106 Y CA -0.225 57.813 58.100 -0.103 0.000 1.272 106 Y CB -0.449 37.926 38.460 -0.142 0.000 1.114 106 Y HN 0.297 nan 8.280 nan 0.000 0.525 107 G N 1.306 109.694 108.800 -0.686 0.000 2.246 107 G HA2 -0.273 3.687 3.960 0.001 0.000 0.273 107 G HA3 -0.273 3.687 3.960 0.001 0.000 0.273 107 G C -0.326 174.126 174.900 -0.747 0.000 1.055 107 G CA -0.023 44.372 45.100 -1.175 0.000 0.851 107 G HN 0.274 nan 8.290 nan 0.000 0.500 108 N N -0.523 117.811 118.700 -0.612 0.000 2.417 108 N HA 0.607 5.348 4.740 0.001 0.000 0.300 108 N C 0.158 175.474 175.510 -0.323 0.000 1.102 108 N CA -0.520 52.365 53.050 -0.274 0.000 0.886 108 N CB 1.577 40.066 38.487 0.003 0.000 1.203 108 N HN 0.201 nan 8.380 nan 0.000 0.496 109 L N 2.076 123.262 121.223 -0.062 0.000 2.276 109 L HA 0.458 4.798 4.340 0.001 0.000 0.286 109 L C -0.326 176.532 176.870 -0.019 0.000 1.061 109 L CA -0.508 54.365 54.840 0.055 0.000 0.807 109 L CB 0.616 42.788 42.059 0.189 0.000 1.177 109 L HN 0.223 nan 8.230 nan 0.000 0.429 110 L N 4.041 125.247 121.223 -0.029 0.000 2.341 110 L HA 0.517 4.858 4.340 0.001 0.000 0.278 110 L C -0.208 176.625 176.870 -0.062 0.000 1.005 110 L CA -0.656 54.132 54.840 -0.086 0.000 0.818 110 L CB 1.842 43.800 42.059 -0.168 0.000 1.259 110 L HN 0.481 nan 8.230 nan 0.000 0.418 111 K N 3.114 123.480 120.400 -0.057 0.000 2.253 111 K HA 0.561 4.882 4.320 0.001 0.000 0.277 111 K C -0.696 175.863 176.600 -0.068 0.000 1.053 111 K CA -0.499 55.758 56.287 -0.051 0.000 0.892 111 K CB 1.324 33.809 32.500 -0.026 0.000 1.102 111 K HN 0.518 nan 8.250 nan 0.000 0.469 112 V N 0.358 120.225 119.914 -0.077 0.000 3.019 112 V HA 0.524 4.644 4.120 0.001 0.000 0.317 112 V C -0.360 175.710 176.094 -0.039 0.000 1.094 112 V CA -0.948 61.304 62.300 -0.080 0.000 1.000 112 V CB 1.650 33.387 31.823 -0.143 0.000 1.060 112 V HN 0.850 nan 8.190 nan 0.000 0.443 113 D N 1.450 121.845 120.400 -0.008 0.000 2.506 113 D HA 0.534 5.175 4.640 0.001 0.000 0.272 113 D C 1.201 177.467 176.300 -0.056 0.000 1.214 113 D CA -0.076 53.930 54.000 0.009 0.000 1.067 113 D CB 1.167 42.021 40.800 0.090 0.000 1.117 113 D HN 0.812 nan 8.370 nan 0.000 0.578 114 A N -0.960 121.768 122.820 -0.154 0.000 2.032 114 A HA -0.196 4.124 4.320 0.001 0.000 0.221 114 A C 1.447 178.733 177.584 -0.496 0.000 1.165 114 A CA 1.235 53.040 52.037 -0.387 0.000 0.645 114 A CB -1.087 17.551 19.000 -0.604 0.000 0.807 114 A HN 0.586 nan 8.150 nan 0.000 0.453 115 Y N -1.279 119.046 120.300 0.041 0.000 2.468 115 Y HA 0.390 4.941 4.550 0.001 0.000 0.268 115 Y C 1.796 177.791 175.900 0.157 0.000 1.177 115 Y CA -0.004 58.151 58.100 0.092 0.000 1.265 115 Y CB -0.073 38.438 38.460 0.084 0.000 1.103 115 Y HN 0.408 nan 8.280 nan 0.000 0.522 116 G N -0.015 108.849 108.800 0.106 0.000 2.179 116 G HA2 -0.294 3.667 3.960 0.001 0.000 0.260 116 G HA3 -0.294 3.667 3.960 0.001 0.000 0.260 116 G C 0.023 174.940 174.900 0.030 0.000 0.977 116 G CA -0.134 44.939 45.100 -0.044 0.000 0.641 116 G HN 0.304 nan 8.290 nan 0.000 0.533 117 N N 0.152 118.948 118.700 0.160 0.000 2.492 117 N HA 0.357 5.098 4.740 0.001 0.000 0.260 117 N C 0.068 175.588 175.510 0.016 0.000 1.215 117 N CA -0.059 53.071 53.050 0.132 0.000 0.923 117 N CB 1.020 39.596 38.487 0.147 0.000 1.092 117 N HN 0.114 nan 8.380 nan 0.000 0.448 118 L N 2.531 123.743 121.223 -0.018 0.000 2.281 118 L HA 0.196 4.537 4.340 0.001 0.000 0.285 118 L C 1.338 178.191 176.870 -0.028 0.000 1.074 118 L CA 0.278 55.065 54.840 -0.089 0.000 0.817 118 L CB 0.574 42.532 42.059 -0.169 0.000 1.168 118 L HN 0.510 nan 8.230 nan 0.000 0.434 119 L N 3.480 124.689 121.223 -0.023 0.000 2.286 119 L HA 0.292 4.633 4.340 0.001 0.000 0.203 119 L C -0.040 176.852 176.870 0.036 0.000 1.068 119 L CA 0.291 55.141 54.840 0.017 0.000 0.811 119 L CB 0.169 42.241 42.059 0.021 0.000 0.989 119 L HN 0.289 nan 8.230 nan 0.000 0.467 120 V N -0.982 118.944 119.914 0.020 0.000 2.971 120 V HA 0.333 4.454 4.120 0.001 0.000 0.309 120 V C -1.359 174.737 176.094 0.005 0.000 1.130 120 V CA -0.991 61.356 62.300 0.078 0.000 0.964 120 V CB 2.679 34.590 31.823 0.148 0.000 1.029 120 V HN 0.186 nan 8.190 nan 0.000 0.427 121 C N 3.940 123.249 119.300 0.014 0.000 2.432 121 C HA 0.892 5.353 4.460 0.001 0.000 0.334 121 C C 0.033 174.954 174.990 -0.114 0.000 1.155 121 C CA -0.030 58.951 59.018 -0.061 0.000 1.335 121 C CB -0.031 27.668 27.740 -0.070 0.000 1.964 121 C HN 1.238 nan 8.230 nan 0.000 0.444 122 A N 4.279 126.969 122.820 -0.217 0.000 2.331 122 A HA 0.695 5.015 4.320 0.001 0.000 0.320 122 A C -1.152 176.356 177.584 -0.126 0.000 1.138 122 A CA -0.293 51.507 52.037 -0.395 0.000 0.790 122 A CB 0.543 19.102 19.000 -0.734 0.000 1.206 122 A HN 1.063 nan 8.150 nan 0.000 0.470 123 H N 1.726 120.699 119.070 -0.161 0.000 2.638 123 H HA 0.507 5.063 4.556 0.001 0.000 0.303 123 H C 1.107 176.361 175.328 -0.123 0.000 1.034 123 H CA 1.095 57.074 56.048 -0.115 0.000 1.225 123 H CB 0.587 30.310 29.762 -0.066 0.000 1.394 123 H HN 1.436 nan 8.280 nan 0.000 0.477 124 G N 3.582 112.098 108.800 -0.473 0.000 2.629 124 G HA2 -0.391 3.569 3.960 0.001 0.000 0.313 124 G HA3 -0.391 3.569 3.960 0.001 0.000 0.313 124 G C 0.339 174.870 174.900 -0.614 0.000 1.217 124 G CA 0.825 45.549 45.100 -0.627 0.000 0.994 124 G HN 0.534 nan 8.290 nan 0.000 0.549 125 F N 2.126 122.036 119.950 -0.067 0.000 2.647 125 F HA 0.426 4.953 4.527 0.001 0.000 0.300 125 F C 0.834 176.763 175.800 0.215 0.000 1.106 125 F CA -0.458 57.589 58.000 0.078 0.000 1.313 125 F CB -0.014 39.036 39.000 0.083 0.000 1.007 125 F HN 0.293 nan 8.300 nan 0.000 0.536 126 N N 0.701 119.535 118.700 0.223 0.000 2.426 126 N HA 0.202 4.943 4.740 0.001 0.000 0.257 126 N C -1.118 174.495 175.510 0.172 0.000 1.002 126 N CA -0.303 52.906 53.050 0.264 0.000 0.942 126 N CB 0.251 38.861 38.487 0.207 0.000 1.112 126 N HN -0.123 nan 8.380 nan 0.000 0.499 127 F N 4.412 124.473 119.950 0.185 0.000 2.438 127 F HA 0.304 4.832 4.527 0.001 0.000 0.360 127 F C 0.419 176.283 175.800 0.107 0.000 1.118 127 F CA -0.635 57.457 58.000 0.154 0.000 1.164 127 F CB 0.302 39.395 39.000 0.155 0.000 1.131 127 F HN 0.258 nan 8.300 nan 0.000 0.527 128 I N 4.651 125.327 120.570 0.176 0.000 2.395 128 I HA 0.252 4.423 4.170 0.001 0.000 0.289 128 I C 0.537 176.726 176.117 0.121 0.000 1.023 128 I CA -0.575 60.798 61.300 0.121 0.000 1.350 128 I CB 0.659 38.704 38.000 0.074 0.000 1.409 128 I HN 0.545 nan 8.210 nan 0.000 0.507 129 R N 3.448 124.006 120.500 0.096 0.000 2.543 129 R HA 0.413 4.754 4.340 0.001 0.000 0.268 129 R C 1.401 177.738 176.300 0.061 0.000 1.067 129 R CA -0.217 55.930 56.100 0.077 0.000 1.142 129 R CB 0.268 30.602 30.300 0.056 0.000 1.110 129 R HN 0.775 nan 8.270 nan 0.000 0.549 130 G N 2.414 111.246 108.800 0.054 0.000 2.859 130 G HA2 -0.308 3.652 3.960 0.001 0.000 0.236 130 G HA3 -0.308 3.652 3.960 0.001 0.000 0.236 130 G C -0.992 173.936 174.900 0.047 0.000 1.207 130 G CA 1.109 46.238 45.100 0.047 0.000 0.769 130 G HN 0.509 nan 8.290 nan 0.000 0.674 131 P HA -0.061 nan 4.420 nan 0.000 0.216 131 P C 1.627 178.946 177.300 0.032 0.000 1.150 131 P CA 1.683 64.803 63.100 0.032 0.000 0.843 131 P CB -0.077 31.638 31.700 0.024 0.000 0.787 132 E N -0.749 119.471 120.200 0.033 0.000 2.208 132 E HA -0.127 4.224 4.350 0.001 0.000 0.193 132 E C 1.624 178.245 176.600 0.035 0.000 0.988 132 E CA 1.530 57.944 56.400 0.024 0.000 0.828 132 E CB -0.230 29.484 29.700 0.022 0.000 0.763 132 E HN 0.289 nan 8.360 nan 0.000 0.478 133 T N -1.856 112.741 114.554 0.072 0.000 3.035 133 T HA -0.029 4.322 4.350 0.001 0.000 0.268 133 T C 1.724 176.530 174.700 0.177 0.000 1.109 133 T CA 0.374 62.564 62.100 0.151 0.000 1.119 133 T CB -0.145 68.803 68.868 0.133 0.000 0.900 133 T HN 0.078 nan 8.240 nan 0.000 0.503 134 R N 0.788 121.344 120.500 0.093 0.000 2.189 134 R HA 0.059 4.400 4.340 0.001 0.000 0.218 134 R C 2.495 178.806 176.300 0.018 0.000 1.074 134 R CA 1.052 57.200 56.100 0.079 0.000 0.991 134 R CB -0.115 30.219 30.300 0.056 0.000 0.883 134 R HN 0.631 nan 8.270 nan 0.000 0.457 135 E N 0.766 120.951 120.200 -0.025 0.000 2.065 135 E HA -0.271 4.080 4.350 0.001 0.000 0.201 135 E C 1.878 178.364 176.600 -0.190 0.000 1.016 135 E CA 1.553 57.896 56.400 -0.094 0.000 0.818 135 E CB -0.000 29.632 29.700 -0.114 0.000 0.749 135 E HN 0.424 nan 8.360 nan 0.000 0.453 136 Q N -1.008 118.602 119.800 -0.316 0.000 2.391 136 Q HA 0.023 4.364 4.340 0.001 0.000 0.211 136 Q C -0.126 175.460 176.000 -0.691 0.000 0.908 136 Q CA 0.355 55.737 55.803 -0.701 0.000 0.920 136 Q CB 0.577 28.590 28.738 -1.208 0.000 1.056 136 Q HN 0.306 nan 8.270 nan 0.000 0.523 137 Y N -0.487 119.814 120.300 0.003 0.000 2.837 137 Y HA 0.289 4.840 4.550 0.002 0.000 0.356 137 Y C -2.002 173.942 175.900 0.073 0.000 1.035 137 Y CA -2.484 55.661 58.100 0.076 0.000 1.165 137 Y CB 1.019 39.519 38.460 0.068 0.000 1.147 137 Y HN 0.031 nan 8.280 nan 0.000 0.628 138 P HA -0.168 nan 4.420 nan 0.000 0.218 138 P C 1.028 178.406 177.300 0.129 0.000 1.146 138 P CA 1.577 64.742 63.100 0.107 0.000 0.813 138 P CB 0.399 32.147 31.700 0.081 0.000 0.778 139 N N -1.396 117.417 118.700 0.189 0.000 2.234 139 N HA 0.077 4.818 4.740 0.001 0.000 0.227 139 N C -0.377 175.259 175.510 0.210 0.000 1.151 139 N CA -0.194 52.953 53.050 0.160 0.000 0.865 139 N CB -0.511 38.051 38.487 0.125 0.000 1.066 139 N HN -0.260 nan 8.380 nan 0.000 0.515 140 K N -0.014 120.523 120.400 0.228 0.000 3.156 140 K HA -0.233 4.088 4.320 0.001 0.000 0.266 140 K C -1.159 175.563 176.600 0.205 0.000 0.966 140 K CA 0.781 57.176 56.287 0.179 0.000 0.719 140 K CB -1.574 30.991 32.500 0.108 0.000 1.333 140 K HN 0.429 nan 8.250 nan 0.000 0.468 141 F N 0.224 120.210 119.950 0.060 0.000 2.650 141 F HA 0.553 5.080 4.527 0.001 0.000 0.310 141 F C -1.157 174.673 175.800 0.049 0.000 1.112 141 F CA -1.221 56.793 58.000 0.023 0.000 0.986 141 F CB 1.248 40.275 39.000 0.045 0.000 1.285 141 F HN -0.002 nan 8.300 nan 0.000 0.440 142 I N 1.789 121.834 120.570 -0.875 0.000 2.740 142 I HA 0.542 4.713 4.170 0.001 0.000 0.303 142 I C -1.253 174.078 176.117 -1.311 0.000 1.044 142 I CA -1.025 59.678 61.300 -0.996 0.000 1.064 142 I CB 2.320 39.625 38.000 -1.159 0.000 1.249 142 I HN 0.682 nan 8.210 nan 0.000 0.433 143 Q N 4.372 123.717 119.800 -0.757 0.000 2.490 143 Q HA 0.261 4.601 4.340 0.001 0.000 0.226 143 Q C 0.620 176.477 176.000 -0.238 0.000 1.132 143 Q CA -0.395 55.200 55.803 -0.347 0.000 0.928 143 Q CB 0.905 29.648 28.738 0.008 0.000 1.299 143 Q HN 0.678 nan 8.270 nan 0.000 0.528 144 R N 0.409 120.727 120.500 -0.302 0.000 2.280 144 R HA -0.059 4.282 4.340 0.001 0.000 0.207 144 R C -0.294 175.984 176.300 -0.037 0.000 1.043 144 R CA 0.939 56.888 56.100 -0.252 0.000 1.006 144 R CB 0.204 30.351 30.300 -0.256 0.000 0.885 144 R HN 0.313 nan 8.270 nan 0.000 0.467 145 D N 1.222 121.626 120.400 0.007 0.000 2.538 145 D HA 0.006 4.647 4.640 0.001 0.000 0.234 145 D C -0.886 175.467 176.300 0.088 0.000 1.191 145 D CA 0.221 54.249 54.000 0.047 0.000 0.828 145 D CB 0.240 41.069 40.800 0.048 0.000 0.981 145 D HN 0.180 nan 8.370 nan 0.000 0.490 146 D N -0.057 120.436 120.400 0.155 0.000 2.505 146 D HA 0.013 4.654 4.640 0.001 0.000 0.242 146 D C 1.259 177.663 176.300 0.172 0.000 1.136 146 D CA -0.229 53.874 54.000 0.172 0.000 0.954 146 D CB 0.364 41.298 40.800 0.224 0.000 1.002 146 D HN 0.052 nan 8.370 nan 0.000 0.512 147 T N -0.452 114.167 114.554 0.107 0.000 3.023 147 T HA -0.069 4.282 4.350 0.001 0.000 0.266 147 T C 1.306 176.062 174.700 0.094 0.000 1.093 147 T CA 0.468 62.629 62.100 0.102 0.000 1.129 147 T CB 0.100 69.010 68.868 0.070 0.000 0.899 147 T HN 0.148 nan 8.240 nan 0.000 0.491 148 E N 1.509 121.741 120.200 0.053 0.000 2.150 148 E HA -0.078 4.272 4.350 0.001 0.000 0.193 148 E C 2.214 178.789 176.600 -0.041 0.000 0.985 148 E CA 0.916 57.332 56.400 0.026 0.000 0.814 148 E CB -0.156 29.547 29.700 0.006 0.000 0.752 148 E HN 0.643 nan 8.360 nan 0.000 0.466 149 R N -0.777 119.632 120.500 -0.151 0.000 2.175 149 R HA 0.068 4.409 4.340 0.001 0.000 0.202 149 R C -0.127 175.881 176.300 -0.486 0.000 1.018 149 R CA 0.161 56.007 56.100 -0.423 0.000 1.029 149 R CB 0.458 30.314 30.300 -0.739 0.000 0.959 149 R HN -0.104 nan 8.270 nan 0.000 0.480 150 F N 0.351 120.280 119.950 -0.036 0.000 2.449 150 F HA 0.312 4.840 4.527 0.002 0.000 0.342 150 F C -0.930 174.877 175.800 0.011 0.000 1.127 150 F CA -1.104 56.867 58.000 -0.047 0.000 0.975 150 F CB 1.470 40.431 39.000 -0.066 0.000 1.146 150 F HN -0.104 nan 8.300 nan 0.000 0.444 151 Y N 4.595 124.920 120.300 0.042 0.000 2.328 151 Y HA 0.647 5.197 4.550 0.002 0.000 0.337 151 Y C -0.606 175.349 175.900 0.092 0.000 0.966 151 Y CA -1.076 57.052 58.100 0.047 0.000 1.136 151 Y CB 0.873 39.330 38.460 -0.006 0.000 1.170 151 Y HN 0.465 nan 8.280 nan 0.000 0.470 152 I N 7.649 127.973 120.570 -0.410 0.000 2.352 152 I HA 0.143 4.314 4.170 0.001 0.000 0.290 152 I C -0.486 175.445 176.117 -0.309 0.000 1.036 152 I CA -0.257 60.888 61.300 -0.258 0.000 1.336 152 I CB 0.894 38.768 38.000 -0.210 0.000 1.407 152 I HN 0.550 nan 8.210 nan 0.000 0.497 153 L N 7.143 128.358 121.223 -0.014 0.000 2.512 153 L HA 0.238 4.579 4.340 0.001 0.000 0.247 153 L C 1.234 178.120 176.870 0.026 0.000 1.204 153 L CA -0.093 54.822 54.840 0.125 0.000 1.153 153 L CB -0.554 41.650 42.059 0.241 0.000 1.415 153 L HN 0.567 nan 8.230 nan 0.000 0.406 154 N N 0.264 118.947 118.700 -0.028 0.000 2.409 154 N HA -0.042 4.699 4.740 0.001 0.000 0.179 154 N C 0.849 176.290 175.510 -0.114 0.000 1.032 154 N CA 0.585 53.609 53.050 -0.044 0.000 0.898 154 N CB 0.342 38.812 38.487 -0.028 0.000 0.971 154 N HN 0.572 nan 8.380 nan 0.000 0.441 155 T N -2.956 111.537 114.554 -0.102 0.000 2.950 155 T HA 0.396 4.747 4.350 0.001 0.000 0.288 155 T C 1.515 176.132 174.700 -0.139 0.000 1.035 155 T CA -0.701 61.317 62.100 -0.137 0.000 1.028 155 T CB 1.271 70.121 68.868 -0.029 0.000 1.109 155 T HN -0.099 nan 8.240 nan 0.000 0.514 156 L N 0.151 121.155 121.223 -0.366 0.000 2.191 156 L HA 0.051 4.392 4.340 0.001 0.000 0.212 156 L C 2.124 178.896 176.870 -0.164 0.000 1.103 156 L CA 1.042 55.583 54.840 -0.499 0.000 0.769 156 L CB -0.611 40.678 42.059 -1.283 0.000 0.908 156 L HN 0.625 nan 8.230 nan 0.000 0.438 157 F N 0.415 120.420 119.950 0.092 0.000 2.202 157 F HA -0.203 4.325 4.527 0.002 0.000 0.301 157 F C 1.983 177.880 175.800 0.162 0.000 1.082 157 F CA 1.420 59.557 58.000 0.229 0.000 1.313 157 F CB -0.816 38.273 39.000 0.148 0.000 1.024 157 F HN 0.206 nan 8.300 nan 0.000 0.495 158 N N -0.235 118.638 118.700 0.288 0.000 2.461 158 N HA 0.031 4.772 4.740 0.001 0.000 0.188 158 N C 1.725 177.382 175.510 0.245 0.000 1.134 158 N CA -0.071 53.132 53.050 0.254 0.000 0.878 158 N CB -0.017 38.614 38.487 0.241 0.000 0.972 158 N HN 0.230 nan 8.380 nan 0.000 0.456 159 L N 1.263 122.618 121.223 0.221 0.000 1.989 159 L HA -0.121 4.219 4.340 0.001 0.000 0.211 159 L C -0.523 176.594 176.870 0.412 0.000 1.071 159 L CA 1.592 56.602 54.840 0.283 0.000 0.749 159 L CB -1.461 40.757 42.059 0.266 0.000 0.890 159 L HN 0.176 nan 8.230 nan 0.000 0.431 160 P HA -0.215 nan 4.420 nan 0.000 0.215 160 P C 1.277 178.908 177.300 0.553 0.000 1.153 160 P CA 1.627 64.997 63.100 0.450 0.000 0.853 160 P CB -0.142 31.703 31.700 0.242 0.000 0.788 161 E N -0.464 119.945 120.200 0.348 0.000 2.106 161 E HA -0.129 4.222 4.350 0.001 0.000 0.192 161 E C 1.570 178.333 176.600 0.272 0.000 0.984 161 E CA 1.489 58.034 56.400 0.241 0.000 0.806 161 E CB -1.467 28.308 29.700 0.126 0.000 0.750 161 E HN 0.062 nan 8.360 nan 0.000 0.458 162 T N 0.502 115.259 114.554 0.337 0.000 2.653 162 T HA -0.257 4.094 4.350 0.001 0.000 0.268 162 T C 1.465 176.446 174.700 0.468 0.000 1.035 162 T CA 1.861 64.187 62.100 0.377 0.000 1.154 162 T CB -0.605 68.493 68.868 0.385 0.000 0.862 162 T HN 0.373 nan 8.240 nan 0.000 0.441 163 Y N 1.170 121.726 120.300 0.427 0.000 2.314 163 Y HA 0.067 4.617 4.550 0.001 0.000 0.293 163 Y C 2.024 178.069 175.900 0.241 0.000 1.129 163 Y CA 0.429 58.743 58.100 0.357 0.000 1.201 163 Y CB -0.424 38.232 38.460 0.326 0.000 0.999 163 Y HN 0.113 nan 8.280 nan 0.000 0.541 164 L N -0.128 121.269 121.223 0.290 0.000 2.072 164 L HA -0.107 4.234 4.340 0.001 0.000 0.205 164 L C 2.089 178.898 176.870 -0.103 0.000 1.079 164 L CA 1.528 56.433 54.840 0.108 0.000 0.752 164 L CB -0.940 41.172 42.059 0.088 0.000 0.906 164 L HN 0.293 nan 8.230 nan 0.000 0.436 165 L N -0.245 120.937 121.223 -0.068 0.000 1.997 165 L HA -0.296 4.045 4.340 0.001 0.000 0.216 165 L C 2.678 179.452 176.870 -0.160 0.000 1.074 165 L CA 1.665 56.419 54.840 -0.143 0.000 0.763 165 L CB -1.058 40.828 42.059 -0.288 0.000 0.890 165 L HN 0.414 nan 8.230 nan 0.000 0.434 166 A N -1.171 121.492 122.820 -0.262 0.000 1.898 166 A HA -0.215 4.106 4.320 0.001 0.000 0.216 166 A C 2.419 179.401 177.584 -1.004 0.000 1.181 166 A CA 1.708 53.381 52.037 -0.605 0.000 0.620 166 A CB -1.180 17.343 19.000 -0.794 0.000 0.819 166 A HN 0.558 nan 8.150 nan 0.000 0.442 167 C N -0.746 117.999 119.300 -0.924 0.000 2.398 167 C HA -0.145 4.316 4.460 0.001 0.000 0.276 167 C C 2.670 177.264 174.990 -0.659 0.000 1.222 167 C CA 1.265 59.701 59.018 -0.971 0.000 1.746 167 C CB -1.563 25.379 27.740 -1.330 0.000 2.039 167 C HN 0.633 nan 8.230 nan 0.000 0.470 168 L N -0.026 121.001 121.223 -0.328 0.000 2.027 168 L HA -0.108 4.232 4.340 0.001 0.000 0.206 168 L C 2.612 179.492 176.870 0.017 0.000 1.074 168 L CA 1.134 55.948 54.840 -0.042 0.000 0.745 168 L CB -0.794 41.364 42.059 0.165 0.000 0.898 168 L HN 0.185 nan 8.230 nan 0.000 0.433 169 V N 0.447 120.388 119.914 0.046 0.000 2.252 169 V HA -0.397 3.724 4.120 0.001 0.000 0.249 169 V C 2.239 178.306 176.094 -0.044 0.000 1.056 169 V CA 2.379 64.763 62.300 0.139 0.000 1.022 169 V CB -0.621 31.145 31.823 -0.096 0.000 0.641 169 V HN 0.563 nan 8.190 nan 0.000 0.445 170 D N -0.628 119.583 120.400 -0.314 0.000 2.106 170 D HA -0.275 4.366 4.640 0.001 0.000 0.191 170 D C 1.971 178.185 176.300 -0.143 0.000 0.997 170 D CA 1.867 55.699 54.000 -0.280 0.000 0.834 170 D CB -0.260 40.189 40.800 -0.585 0.000 0.956 170 D HN 0.380 nan 8.370 nan 0.000 0.448 171 F N -0.096 119.664 119.950 -0.316 0.000 2.069 171 F HA -0.142 4.386 4.527 0.001 0.000 0.298 171 F C 1.785 177.315 175.800 -0.450 0.000 1.113 171 F CA 1.468 59.276 58.000 -0.320 0.000 1.214 171 F CB -0.623 38.194 39.000 -0.306 0.000 0.978 171 F HN -0.029 nan 8.300 nan 0.000 0.474 172 F N 0.591 120.100 119.950 -0.734 0.000 2.186 172 F HA -0.128 4.400 4.527 0.001 0.000 0.299 172 F C 2.587 177.897 175.800 -0.817 0.000 1.090 172 F CA 1.665 58.889 58.000 -1.294 0.000 1.307 172 F CB -1.653 36.027 39.000 -2.199 0.000 1.019 172 F HN -0.100 nan 8.300 nan 0.000 0.489 173 T N -0.103 114.326 114.554 -0.210 0.000 2.684 173 T HA -0.237 4.114 4.350 0.001 0.000 0.267 173 T C 1.351 176.075 174.700 0.039 0.000 1.036 173 T CA 1.999 64.199 62.100 0.167 0.000 1.148 173 T CB -0.534 68.496 68.868 0.269 0.000 0.863 173 T HN 0.275 nan 8.240 nan 0.000 0.436 174 N N -0.525 118.127 118.700 -0.080 0.000 2.230 174 N HA 0.179 4.920 4.740 0.001 0.000 0.202 174 N C -0.191 175.255 175.510 -0.107 0.000 1.119 174 N CA -0.175 52.849 53.050 -0.044 0.000 0.851 174 N CB 0.329 38.821 38.487 0.008 0.000 0.990 174 N HN 0.289 nan 8.380 nan 0.000 0.497 175 C N 2.764 121.910 119.300 -0.257 0.000 2.303 175 C HA 0.342 4.802 4.460 0.001 0.000 0.341 175 C C -0.917 174.061 174.990 -0.020 0.000 1.244 175 C CA -2.079 56.799 59.018 -0.235 0.000 1.765 175 C CB 0.355 27.712 27.740 -0.639 0.000 2.379 175 C HN 0.341 nan 8.230 nan 0.000 0.530 176 P HA -0.140 nan 4.420 nan 0.000 0.223 176 P C 1.112 178.409 177.300 -0.006 0.000 1.144 176 P CA 1.259 64.369 63.100 0.016 0.000 0.783 176 P CB -0.052 31.655 31.700 0.012 0.000 0.771 177 R N -1.490 118.984 120.500 -0.044 0.000 2.237 177 R HA -0.031 4.310 4.340 0.001 0.000 0.219 177 R C 0.354 176.427 176.300 -0.378 0.000 1.080 177 R CA 0.807 56.771 56.100 -0.226 0.000 0.995 177 R CB -0.381 29.714 30.300 -0.342 0.000 0.875 177 R HN 0.334 nan 8.270 nan 0.000 0.462 178 Y N -0.515 119.777 120.300 -0.013 0.000 2.429 178 Y HA 0.259 4.810 4.550 0.001 0.000 0.342 178 Y C 0.119 176.068 175.900 0.083 0.000 1.004 178 Y CA -0.814 57.301 58.100 0.025 0.000 1.075 178 Y CB 2.137 40.585 38.460 -0.020 0.000 1.214 178 Y HN -0.282 nan 8.280 nan 0.000 0.455 179 T N 2.241 116.954 114.554 0.265 0.000 2.749 179 T HA 0.307 4.658 4.350 0.001 0.000 0.287 179 T C -0.309 174.573 174.700 0.304 0.000 0.970 179 T CA -0.792 61.444 62.100 0.226 0.000 0.980 179 T CB 0.563 69.516 68.868 0.143 0.000 0.924 179 T HN 0.534 nan 8.240 nan 0.000 0.456 180 S N 2.572 118.450 115.700 0.297 0.000 2.499 180 S HA 0.374 4.845 4.470 0.001 0.000 0.275 180 S C 0.273 174.929 174.600 0.093 0.000 1.257 180 S CA -0.792 57.557 58.200 0.248 0.000 1.050 180 S CB -0.093 63.289 63.200 0.302 0.000 0.937 180 S HN 0.791 nan 8.310 nan 0.000 0.490 181 C N 1.775 121.066 119.300 -0.015 0.000 2.710 181 C HA 0.433 4.894 4.460 0.001 0.000 0.367 181 C C 2.159 177.146 174.990 -0.004 0.000 1.315 181 C CA -0.881 58.149 59.018 0.021 0.000 1.764 181 C CB 0.927 28.726 27.740 0.098 0.000 2.182 181 C HN 1.033 nan 8.230 nan 0.000 0.491 182 E N 0.469 120.698 120.200 0.048 0.000 2.070 182 E HA -0.249 4.102 4.350 0.001 0.000 0.197 182 E C 1.473 178.220 176.600 0.245 0.000 1.004 182 E CA 2.228 58.694 56.400 0.110 0.000 0.805 182 E CB 0.029 29.790 29.700 0.102 0.000 0.744 182 E HN 0.897 nan 8.360 nan 0.000 0.451 183 T N -3.144 111.496 114.554 0.144 0.000 3.085 183 T HA 0.529 4.880 4.350 0.001 0.000 0.264 183 T C 0.305 174.829 174.700 -0.293 0.000 1.019 183 T CA 0.108 62.286 62.100 0.129 0.000 0.910 183 T CB 1.138 70.070 68.868 0.107 0.000 1.059 183 T HN 0.315 nan 8.240 nan 0.000 0.542 184 G N 0.701 109.063 108.800 -0.730 0.000 2.367 184 G HA2 0.428 4.389 3.960 0.001 0.000 0.272 184 G HA3 0.428 4.389 3.960 0.001 0.000 0.272 184 G C -2.138 172.032 174.900 -1.218 0.000 1.271 184 G CA -1.012 43.198 45.100 -1.483 0.000 0.893 184 G HN 0.163 nan 8.290 nan 0.000 0.485 185 F N 0.978 120.510 119.950 -0.696 0.000 2.507 185 F HA 0.682 5.210 4.527 0.001 0.000 0.325 185 F C 0.411 176.072 175.800 -0.233 0.000 1.116 185 F CA -0.748 57.056 58.000 -0.325 0.000 0.930 185 F CB 2.563 41.358 39.000 -0.341 0.000 1.146 185 F HN 0.392 nan 8.300 nan 0.000 0.447 186 K N 1.820 122.371 120.400 0.250 0.000 2.183 186 K HA 0.299 4.620 4.320 0.001 0.000 0.274 186 K C -1.394 175.300 176.600 0.157 0.000 1.009 186 K CA -0.429 56.008 56.287 0.250 0.000 0.888 186 K CB 1.007 33.657 32.500 0.249 0.000 1.078 186 K HN 0.640 nan 8.250 nan 0.000 0.459 187 D N 3.793 124.230 120.400 0.062 0.000 2.412 187 D HA 0.286 4.927 4.640 0.001 0.000 0.276 187 D C 0.581 176.845 176.300 -0.059 0.000 1.196 187 D CA 0.558 54.497 54.000 -0.102 0.000 0.905 187 D CB 0.485 41.118 40.800 -0.279 0.000 1.081 187 D HN 0.844 nan 8.370 nan 0.000 0.502 188 G N 3.908 112.688 108.800 -0.032 0.000 2.620 188 G HA2 -0.342 3.619 3.960 0.001 0.000 0.315 188 G HA3 -0.342 3.619 3.960 0.001 0.000 0.315 188 G C 0.656 175.558 174.900 0.004 0.000 1.179 188 G CA 0.435 45.522 45.100 -0.021 0.000 0.971 188 G HN 0.501 nan 8.290 nan 0.000 0.544 189 D N 1.355 121.752 120.400 -0.004 0.000 2.342 189 D HA 0.350 4.990 4.640 0.001 0.000 0.221 189 D C 0.556 176.870 176.300 0.023 0.000 1.101 189 D CA 0.301 54.306 54.000 0.008 0.000 0.837 189 D CB 0.126 40.923 40.800 -0.005 0.000 0.938 189 D HN 0.309 nan 8.370 nan 0.000 0.508 190 L N 0.642 121.883 121.223 0.030 0.000 2.333 190 L HA 0.387 4.727 4.340 0.001 0.000 0.280 190 L C -0.745 176.189 176.870 0.106 0.000 1.004 190 L CA -0.990 53.875 54.840 0.040 0.000 0.820 190 L CB 1.874 43.927 42.059 -0.009 0.000 1.247 190 L HN -0.204 nan 8.230 nan 0.000 0.416 191 F N 5.032 124.960 119.950 -0.036 0.000 2.402 191 F HA 0.500 5.028 4.527 0.001 0.000 0.355 191 F C -0.151 175.615 175.800 -0.057 0.000 1.123 191 F CA -0.760 57.215 58.000 -0.041 0.000 1.021 191 F CB 1.515 40.484 39.000 -0.051 0.000 1.160 191 F HN 0.392 nan 8.300 nan 0.000 0.451 192 M N 7.282 126.418 119.600 -0.773 0.000 2.055 192 M HA 0.321 4.801 4.480 0.001 0.000 0.347 192 M C -0.477 175.239 176.300 -0.974 0.000 1.123 192 M CA -0.429 54.478 55.300 -0.655 0.000 1.035 192 M CB 0.460 32.792 32.600 -0.446 0.000 1.484 192 M HN 0.714 nan 8.290 nan 0.000 0.428 193 S N 3.892 119.180 115.700 -0.686 0.000 2.593 193 S HA 0.146 4.617 4.470 0.001 0.000 0.269 193 S C 0.563 175.026 174.600 -0.228 0.000 1.334 193 S CA -0.350 57.588 58.200 -0.436 0.000 1.015 193 S CB 0.491 63.684 63.200 -0.012 0.000 0.912 193 S HN 0.705 nan 8.310 nan 0.000 0.541 194 Y N 0.886 121.171 120.300 -0.025 0.000 2.224 194 Y HA -0.051 4.500 4.550 0.002 0.000 0.289 194 Y C 2.800 178.840 175.900 0.233 0.000 1.146 194 Y CA 1.469 59.657 58.100 0.147 0.000 1.182 194 Y CB -0.554 38.013 38.460 0.179 0.000 0.983 194 Y HN 0.672 nan 8.280 nan 0.000 0.524 195 R N 0.294 120.972 120.500 0.297 0.000 2.083 195 R HA -0.201 4.140 4.340 0.001 0.000 0.237 195 R C 2.535 178.979 176.300 0.238 0.000 1.137 195 R CA 1.978 58.239 56.100 0.269 0.000 0.951 195 R CB -0.436 29.953 30.300 0.148 0.000 0.851 195 R HN 0.489 nan 8.270 nan 0.000 0.434 196 S N 0.063 115.841 115.700 0.130 0.000 2.402 196 S HA -0.184 4.287 4.470 0.001 0.000 0.229 196 S C 2.076 176.735 174.600 0.098 0.000 1.021 196 S CA 1.155 59.404 58.200 0.083 0.000 0.974 196 S CB -0.291 62.925 63.200 0.027 0.000 0.800 196 S HN 0.360 nan 8.310 nan 0.000 0.484 197 M N 0.306 119.991 119.600 0.142 0.000 2.067 197 M HA -0.030 4.451 4.480 0.001 0.000 0.260 197 M C 2.030 178.392 176.300 0.104 0.000 1.069 197 M CA 2.006 57.416 55.300 0.184 0.000 1.117 197 M CB -0.401 32.356 32.600 0.263 0.000 1.334 197 M HN 0.445 nan 8.290 nan 0.000 0.407 198 F N 1.259 121.217 119.950 0.013 0.000 2.091 198 F HA -0.329 4.199 4.527 0.001 0.000 0.299 198 F C 2.330 178.053 175.800 -0.128 0.000 1.103 198 F CA 2.400 60.322 58.000 -0.131 0.000 1.228 198 F CB -0.773 38.187 39.000 -0.067 0.000 0.984 198 F HN 0.247 nan 8.300 nan 0.000 0.477 199 Q N 0.820 120.451 119.800 -0.282 0.000 2.096 199 Q HA -0.216 4.125 4.340 0.001 0.000 0.204 199 Q C 1.838 177.649 176.000 -0.314 0.000 0.982 199 Q CA 2.298 57.884 55.803 -0.362 0.000 0.850 199 Q CB -0.693 27.985 28.738 -0.100 0.000 0.901 199 Q HN 0.464 nan 8.270 nan 0.000 0.422 200 D N -1.122 119.165 120.400 -0.188 0.000 2.123 200 D HA -0.139 4.501 4.640 0.001 0.000 0.196 200 D C 1.818 177.952 176.300 -0.277 0.000 0.992 200 D CA 1.331 55.230 54.000 -0.168 0.000 0.833 200 D CB -0.166 40.600 40.800 -0.058 0.000 0.954 200 D HN 0.161 nan 8.370 nan 0.000 0.455 201 V N 0.416 120.122 119.914 -0.347 0.000 2.307 201 V HA -0.198 3.923 4.120 0.001 0.000 0.245 201 V C 2.492 178.383 176.094 -0.339 0.000 1.045 201 V CA 1.362 63.456 62.300 -0.344 0.000 1.024 201 V CB -0.308 31.319 31.823 -0.327 0.000 0.651 201 V HN 0.027 nan 8.190 nan 0.000 0.449 202 R N 0.688 120.878 120.500 -0.518 0.000 2.091 202 R HA -0.164 4.177 4.340 0.001 0.000 0.238 202 R C 1.905 178.047 176.300 -0.262 0.000 1.136 202 R CA 1.968 57.770 56.100 -0.496 0.000 0.959 202 R CB -0.659 29.106 30.300 -0.892 0.000 0.856 202 R HN 0.499 nan 8.270 nan 0.000 0.437 203 D N -0.487 119.776 120.400 -0.228 0.000 2.183 203 D HA -0.041 4.600 4.640 0.001 0.000 0.203 203 D C 1.554 177.844 176.300 -0.017 0.000 0.969 203 D CA 1.417 55.359 54.000 -0.097 0.000 0.842 203 D CB -0.149 40.597 40.800 -0.090 0.000 0.957 203 D HN 0.382 nan 8.370 nan 0.000 0.484 204 A N 0.435 123.204 122.820 -0.084 0.000 1.929 204 A HA -0.059 4.262 4.320 0.001 0.000 0.216 204 A C 2.462 180.083 177.584 0.062 0.000 1.176 204 A CA 0.719 52.726 52.037 -0.050 0.000 0.628 204 A CB -0.537 18.349 19.000 -0.190 0.000 0.816 204 A HN 0.106 nan 8.150 nan 0.000 0.444 205 V N 0.801 120.720 119.914 0.009 0.000 2.233 205 V HA -0.281 3.839 4.120 0.001 0.000 0.247 205 V C 2.256 178.445 176.094 0.158 0.000 1.050 205 V CA 2.378 64.730 62.300 0.085 0.000 1.010 205 V CB -0.917 30.931 31.823 0.041 0.000 0.637 205 V HN 0.480 nan 8.190 nan 0.000 0.444 206 D N -1.175 119.274 120.400 0.081 0.000 2.126 206 D HA -0.270 4.371 4.640 0.001 0.000 0.190 206 D C 1.706 178.116 176.300 0.183 0.000 1.001 206 D CA 1.919 55.973 54.000 0.090 0.000 0.841 206 D CB -0.422 40.407 40.800 0.049 0.000 0.949 206 D HN 0.657 nan 8.370 nan 0.000 0.446 207 W N 1.156 122.469 121.300 0.022 0.000 2.338 207 W HA -0.218 4.443 4.660 0.001 0.000 0.304 207 W C 2.230 178.727 176.519 -0.037 0.000 1.212 207 W CA 1.246 58.597 57.345 0.010 0.000 1.264 207 W CB -0.268 29.173 29.460 -0.033 0.000 1.142 207 W HN -0.211 nan 8.180 nan 0.000 0.512 208 V N 0.102 120.177 119.914 0.268 0.000 2.343 208 V HA -0.342 3.779 4.120 0.001 0.000 0.247 208 V C 2.030 177.986 176.094 -0.230 0.000 1.051 208 V CA 2.472 64.787 62.300 0.024 0.000 1.036 208 V CB -0.995 30.854 31.823 0.044 0.000 0.654 208 V HN 0.192 nan 8.190 nan 0.000 0.451 209 H N -2.388 116.599 119.070 -0.139 0.000 2.395 209 H HA -0.107 4.450 4.556 0.001 0.000 0.299 209 H C 1.875 177.089 175.328 -0.190 0.000 1.070 209 H CA 2.195 58.125 56.048 -0.196 0.000 1.356 209 H CB -0.006 29.623 29.762 -0.222 0.000 1.401 209 H HN 0.573 nan 8.280 nan 0.000 0.524 210 Y N 0.605 120.789 120.300 -0.193 0.000 2.353 210 Y HA 0.161 4.712 4.550 0.001 0.000 0.294 210 Y C 1.287 176.964 175.900 -0.372 0.000 1.135 210 Y CA 0.909 58.867 58.100 -0.237 0.000 1.176 210 Y CB 0.513 38.877 38.460 -0.160 0.000 1.124 210 Y HN -0.130 nan 8.280 nan 0.000 0.537 211 K N -0.141 119.718 120.400 -0.902 0.000 2.360 211 K HA 0.283 4.604 4.320 0.001 0.000 0.196 211 K C 0.984 176.810 176.600 -1.290 0.000 1.049 211 K CA 0.357 55.918 56.287 -1.210 0.000 1.049 211 K CB 0.883 32.677 32.500 -1.177 0.000 0.881 211 K HN 0.321 nan 8.250 nan 0.000 0.542 212 G N 0.760 108.787 108.800 -1.288 0.000 2.695 212 G HA2 0.045 4.006 3.960 0.001 0.000 0.213 212 G HA3 0.045 4.006 3.960 0.001 0.000 0.213 212 G C 0.411 175.027 174.900 -0.473 0.000 1.406 212 G CA -0.245 44.254 45.100 -1.002 0.000 1.049 212 G HN 0.118 nan 8.290 nan 0.000 0.573 213 S N -0.915 114.617 115.700 -0.280 0.000 2.593 213 S HA 0.126 4.597 4.470 0.001 0.000 0.236 213 S C 1.747 176.224 174.600 -0.205 0.000 0.991 213 S CA -0.119 57.963 58.200 -0.197 0.000 0.963 213 S CB 0.360 63.493 63.200 -0.112 0.000 0.865 213 S HN 0.317 nan 8.310 nan 0.000 0.488 214 L N 2.392 123.447 121.223 -0.281 0.000 1.994 214 L HA 0.143 4.484 4.340 0.001 0.000 0.208 214 L C 2.219 178.932 176.870 -0.261 0.000 1.071 214 L CA 1.871 56.504 54.840 -0.344 0.000 0.745 214 L CB -0.828 40.898 42.059 -0.555 0.000 0.892 214 L HN 0.213 nan 8.230 nan 0.000 0.431 215 K N -0.633 119.629 120.400 -0.230 0.000 2.063 215 K HA -0.234 4.086 4.320 0.001 0.000 0.208 215 K C 2.102 178.715 176.600 0.022 0.000 1.048 215 K CA 1.727 57.962 56.287 -0.086 0.000 0.928 215 K CB -0.203 32.187 32.500 -0.184 0.000 0.713 215 K HN 0.482 nan 8.250 nan 0.000 0.442 216 E N 1.324 121.494 120.200 -0.049 0.000 2.051 216 E HA -0.204 4.147 4.350 0.001 0.000 0.192 216 E C 1.665 178.254 176.600 -0.018 0.000 0.991 216 E CA 1.342 57.727 56.400 -0.025 0.000 0.799 216 E CB 0.189 29.854 29.700 -0.057 0.000 0.748 216 E HN 0.193 nan 8.360 nan 0.000 0.449 217 K N -0.301 120.063 120.400 -0.059 0.000 2.148 217 K HA -0.062 4.259 4.320 0.001 0.000 0.204 217 K C 2.194 178.773 176.600 -0.033 0.000 1.050 217 K CA 1.545 57.803 56.287 -0.047 0.000 0.942 217 K CB -0.044 32.397 32.500 -0.097 0.000 0.724 217 K HN 0.108 nan 8.250 nan 0.000 0.446 218 T N 0.945 115.443 114.554 -0.094 0.000 2.674 218 T HA -0.119 4.232 4.350 0.001 0.000 0.265 218 T C 1.967 176.737 174.700 0.117 0.000 1.039 218 T CA 1.273 63.373 62.100 -0.000 0.000 1.150 218 T CB -0.188 68.762 68.868 0.136 0.000 0.864 218 T HN -0.049 nan 8.240 nan 0.000 0.427 219 V N 2.290 122.249 119.914 0.076 0.000 2.871 219 V HA -0.081 4.040 4.120 0.001 0.000 0.256 219 V C 2.429 178.523 176.094 0.001 0.000 1.082 219 V CA 1.612 63.922 62.300 0.017 0.000 1.105 219 V CB -0.670 31.175 31.823 0.037 0.000 0.713 219 V HN 0.723 nan 8.190 nan 0.000 0.473 220 E N 0.199 120.418 120.200 0.032 0.000 2.502 220 E HA -0.081 4.269 4.350 0.001 0.000 0.194 220 E C 0.927 177.549 176.600 0.038 0.000 1.062 220 E CA 0.602 57.019 56.400 0.027 0.000 0.867 220 E CB -0.128 29.589 29.700 0.029 0.000 0.888 220 E HN 0.678 nan 8.360 nan 0.000 0.510 221 N N 0.378 119.121 118.700 0.072 0.000 2.666 221 N HA 0.154 4.895 4.740 0.001 0.000 0.253 221 N C 0.199 175.707 175.510 -0.004 0.000 1.621 221 N CA -0.086 52.991 53.050 0.045 0.000 0.785 221 N CB 0.468 39.003 38.487 0.080 0.000 1.332 221 N HN 0.011 nan 8.380 nan 0.000 0.514 222 L N 0.460 121.572 121.223 -0.185 0.000 2.141 222 L HA -0.086 4.255 4.340 0.001 0.000 0.209 222 L C 1.840 178.431 176.870 -0.465 0.000 1.094 222 L CA 1.225 55.761 54.840 -0.507 0.000 0.763 222 L CB -0.052 41.300 42.059 -1.177 0.000 0.908 222 L HN 0.382 nan 8.230 nan 0.000 0.437 223 E N 0.104 120.170 120.200 -0.225 0.000 2.085 223 E HA -0.262 4.089 4.350 0.001 0.000 0.194 223 E C 2.099 178.648 176.600 -0.085 0.000 0.994 223 E CA 1.202 57.585 56.400 -0.029 0.000 0.801 223 E CB -0.130 29.575 29.700 0.009 0.000 0.743 223 E HN 0.306 nan 8.360 nan 0.000 0.453 224 K N -0.630 119.652 120.400 -0.196 0.000 2.097 224 K HA -0.133 4.188 4.320 0.001 0.000 0.205 224 K C 1.075 177.431 176.600 -0.408 0.000 1.050 224 K CA 1.207 57.266 56.287 -0.379 0.000 0.938 224 K CB 0.003 32.122 32.500 -0.635 0.000 0.718 224 K HN 0.169 nan 8.250 nan 0.000 0.442 225 Y N -0.666 119.651 120.300 0.028 0.000 2.458 225 Y HA 0.232 4.782 4.550 0.001 0.000 0.254 225 Y C -0.226 175.725 175.900 0.084 0.000 1.120 225 Y CA -0.373 57.794 58.100 0.112 0.000 1.282 225 Y CB 1.216 39.794 38.460 0.197 0.000 1.109 225 Y HN -0.261 nan 8.280 nan 0.000 0.526 226 V N 0.655 120.631 119.914 0.103 0.000 2.569 226 V HA 0.280 4.400 4.120 0.001 0.000 0.301 226 V C -0.307 175.870 176.094 0.138 0.000 1.044 226 V CA -1.502 60.815 62.300 0.029 0.000 0.874 226 V CB 1.914 33.699 31.823 -0.063 0.000 1.002 226 V HN -0.262 nan 8.190 nan 0.000 0.424 227 V N 4.441 124.402 119.914 0.078 0.000 2.673 227 V HA 0.207 4.328 4.120 0.001 0.000 0.303 227 V C 0.269 176.429 176.094 0.110 0.000 1.046 227 V CA 0.276 62.637 62.300 0.100 0.000 1.126 227 V CB 1.037 32.913 31.823 0.088 0.000 0.934 227 V HN 0.878 nan 8.190 nan 0.000 0.487 228 K N 2.883 123.332 120.400 0.081 0.000 2.422 228 K HA 0.566 4.887 4.320 0.001 0.000 0.251 228 K C -1.665 174.995 176.600 0.100 0.000 0.933 228 K CA -0.680 55.604 56.287 -0.006 0.000 0.798 228 K CB 1.806 34.178 32.500 -0.212 0.000 1.238 228 K HN 0.759 nan 8.250 nan 0.000 0.428 229 D N 2.169 122.649 120.400 0.133 0.000 2.763 229 D HA 0.248 4.888 4.640 0.001 0.000 0.235 229 D C 0.583 176.758 176.300 -0.209 0.000 1.334 229 D CA -0.432 53.582 54.000 0.023 0.000 0.950 229 D CB 1.660 42.433 40.800 -0.044 0.000 1.433 229 D HN 0.657 nan 8.370 nan 0.000 0.580 230 G N 2.800 111.264 108.800 -0.560 0.000 2.535 230 G HA2 -0.220 3.741 3.960 0.001 0.000 0.218 230 G HA3 -0.220 3.741 3.960 0.001 0.000 0.218 230 G C 1.071 175.683 174.900 -0.480 0.000 1.122 230 G CA 0.562 45.028 45.100 -1.057 0.000 0.769 230 G HN 0.486 nan 8.290 nan 0.000 0.549 231 K N -0.576 119.643 120.400 -0.300 0.000 2.365 231 K HA 0.174 4.494 4.320 0.001 0.000 0.197 231 K C 2.130 178.612 176.600 -0.196 0.000 1.042 231 K CA -0.088 56.072 56.287 -0.212 0.000 0.987 231 K CB -0.054 32.348 32.500 -0.163 0.000 0.779 231 K HN 0.231 nan 8.250 nan 0.000 0.484 232 L N 2.793 123.882 121.223 -0.223 0.000 1.978 232 L HA -0.181 4.160 4.340 0.001 0.000 0.218 232 L C -1.180 175.493 176.870 -0.329 0.000 1.075 232 L CA 2.175 56.876 54.840 -0.232 0.000 0.767 232 L CB -1.060 40.779 42.059 -0.367 0.000 0.890 232 L HN 0.061 nan 8.230 nan 0.000 0.434 233 P HA -0.168 nan 4.420 nan 0.000 0.217 233 P C 2.053 179.358 177.300 0.008 0.000 1.150 233 P CA 1.232 64.172 63.100 -0.266 0.000 0.832 233 P CB -0.216 31.422 31.700 -0.104 0.000 0.787 234 L N -0.268 120.933 121.223 -0.037 0.000 1.970 234 L HA -0.150 4.191 4.340 0.001 0.000 0.212 234 L C 2.365 179.239 176.870 0.006 0.000 1.071 234 L CA 1.757 56.594 54.840 -0.005 0.000 0.751 234 L CB -1.740 40.282 42.059 -0.062 0.000 0.889 234 L HN -0.155 nan 8.230 nan 0.000 0.432 235 L N -0.795 120.405 121.223 -0.038 0.000 2.013 235 L HA -0.240 4.100 4.340 0.001 0.000 0.212 235 L C 2.351 179.233 176.870 0.021 0.000 1.073 235 L CA 1.970 56.803 54.840 -0.011 0.000 0.753 235 L CB -0.630 41.424 42.059 -0.009 0.000 0.890 235 L HN 0.341 nan 8.230 nan 0.000 0.432 236 L N -0.928 120.279 121.223 -0.027 0.000 2.056 236 L HA -0.177 4.164 4.340 0.001 0.000 0.207 236 L C 2.685 179.602 176.870 0.079 0.000 1.078 236 L CA 1.449 56.269 54.840 -0.032 0.000 0.749 236 L CB -0.924 41.064 42.059 -0.118 0.000 0.901 236 L HN 0.519 nan 8.230 nan 0.000 0.433 237 S N 0.015 115.819 115.700 0.173 0.000 2.383 237 S HA -0.217 4.253 4.470 0.001 0.000 0.229 237 S C 2.027 176.660 174.600 0.056 0.000 1.030 237 S CA 0.935 59.206 58.200 0.117 0.000 1.002 237 S CB -0.415 62.868 63.200 0.139 0.000 0.829 237 S HN 0.382 nan 8.310 nan 0.000 0.467 238 R N 0.665 121.218 120.500 0.089 0.000 2.075 238 R HA 0.148 4.489 4.340 0.001 0.000 0.232 238 R C 2.591 178.872 176.300 -0.032 0.000 1.126 238 R CA 1.654 57.837 56.100 0.138 0.000 0.963 238 R CB -0.498 29.977 30.300 0.292 0.000 0.858 238 R HN 0.433 nan 8.270 nan 0.000 0.435 239 M N 0.370 119.936 119.600 -0.056 0.000 2.108 239 M HA -0.194 4.286 4.480 0.001 0.000 0.261 239 M C 2.194 178.400 176.300 -0.157 0.000 1.066 239 M CA 1.548 56.631 55.300 -0.362 0.000 1.107 239 M CB -0.128 32.276 32.600 -0.326 0.000 1.356 239 M HN -0.118 nan 8.290 nan 0.000 0.406 240 K N 0.614 120.984 120.400 -0.050 0.000 2.362 240 K HA -0.116 4.205 4.320 0.001 0.000 0.200 240 K C 1.436 178.014 176.600 -0.037 0.000 1.046 240 K CA 1.146 57.429 56.287 -0.007 0.000 0.952 240 K CB 0.045 32.536 32.500 -0.015 0.000 0.753 240 K HN 0.370 nan 8.250 nan 0.000 0.466 241 E N -0.686 119.464 120.200 -0.083 0.000 2.208 241 E HA -0.092 4.258 4.350 0.001 0.000 0.193 241 E C 1.269 177.811 176.600 -0.096 0.000 0.988 241 E CA 1.288 57.643 56.400 -0.075 0.000 0.828 241 E CB 0.336 30.003 29.700 -0.055 0.000 0.763 241 E HN 0.318 nan 8.360 nan 0.000 0.478 242 V N -4.145 115.664 119.914 -0.175 0.000 3.477 242 V HA 0.493 4.614 4.120 0.001 0.000 0.297 242 V C 0.557 176.635 176.094 -0.028 0.000 1.433 242 V CA 0.206 62.423 62.300 -0.139 0.000 1.052 242 V CB 0.775 32.416 31.823 -0.304 0.000 0.895 242 V HN 0.121 nan 8.190 nan 0.000 0.438 243 G N -0.154 108.662 108.800 0.027 0.000 2.490 243 G HA2 0.460 4.420 3.960 0.001 0.000 0.308 243 G HA3 0.460 4.420 3.960 0.001 0.000 0.308 243 G C -1.793 173.185 174.900 0.130 0.000 1.286 243 G CA -0.998 44.155 45.100 0.088 0.000 0.825 243 G HN 0.132 nan 8.290 nan 0.000 0.479 244 K N -0.426 120.065 120.400 0.152 0.000 2.138 244 K HA 0.683 5.004 4.320 0.001 0.000 0.263 244 K C -0.885 175.910 176.600 0.325 0.000 0.965 244 K CA -0.635 55.773 56.287 0.203 0.000 0.868 244 K CB 2.476 35.078 32.500 0.171 0.000 1.083 244 K HN 0.230 nan 8.250 nan 0.000 0.443 245 V N 4.022 124.138 119.914 0.336 0.000 2.555 245 V HA 0.546 4.666 4.120 0.001 0.000 0.302 245 V C -0.776 175.681 176.094 0.605 0.000 1.038 245 V CA -0.797 61.748 62.300 0.409 0.000 0.887 245 V CB 0.800 32.743 31.823 0.198 0.000 0.991 245 V HN 0.712 nan 8.190 nan 0.000 0.434 246 F N 3.926 124.246 119.950 0.616 0.000 2.599 246 F HA 0.886 5.414 4.527 0.001 0.000 0.311 246 F C -1.487 174.703 175.800 0.649 0.000 1.076 246 F CA -1.464 56.900 58.000 0.607 0.000 0.937 246 F CB 1.683 40.915 39.000 0.386 0.000 1.282 246 F HN 0.384 nan 8.300 nan 0.000 0.460 247 L N 3.192 124.729 121.223 0.524 0.000 2.322 247 L HA 0.898 5.239 4.340 0.001 0.000 0.281 247 L C -0.954 176.160 176.870 0.407 0.000 1.014 247 L CA -0.729 54.243 54.840 0.221 0.000 0.815 247 L CB 1.402 43.264 42.059 -0.328 0.000 1.247 247 L HN 1.017 nan 8.230 nan 0.000 0.421 248 A N 3.262 126.334 122.820 0.420 0.000 2.457 248 A HA 0.648 4.969 4.320 0.001 0.000 0.283 248 A C -0.583 177.106 177.584 0.175 0.000 1.166 248 A CA -0.378 51.815 52.037 0.260 0.000 0.740 248 A CB 1.088 20.204 19.000 0.193 0.000 1.181 248 A HN 0.637 nan 8.150 nan 0.000 0.446 249 T N 0.683 115.292 114.554 0.091 0.000 2.887 249 T HA 0.354 4.705 4.350 0.001 0.000 0.288 249 T C 0.619 175.358 174.700 0.065 0.000 1.021 249 T CA -0.499 61.666 62.100 0.109 0.000 1.000 249 T CB 0.926 69.863 68.868 0.114 0.000 1.034 249 T HN 0.429 nan 8.240 nan 0.000 0.467 250 N N 1.666 120.423 118.700 0.095 0.000 2.457 250 N HA 0.110 4.851 4.740 0.001 0.000 0.180 250 N C 0.701 176.254 175.510 0.073 0.000 1.050 250 N CA 0.325 53.413 53.050 0.062 0.000 0.906 250 N CB -0.019 38.517 38.487 0.081 0.000 0.968 250 N HN 0.439 nan 8.380 nan 0.000 0.445 251 S N 0.536 116.309 115.700 0.121 0.000 2.606 251 S HA 0.073 4.543 4.470 0.001 0.000 0.257 251 S C 0.118 174.801 174.600 0.138 0.000 1.327 251 S CA -0.480 57.804 58.200 0.141 0.000 0.984 251 S CB 0.450 63.815 63.200 0.275 0.000 0.941 251 S HN 0.407 nan 8.310 nan 0.000 0.576 252 D N -1.066 119.427 120.400 0.156 0.000 2.437 252 D HA 0.165 4.806 4.640 0.001 0.000 0.259 252 D C 0.725 177.144 176.300 0.199 0.000 1.118 252 D CA -0.641 53.462 54.000 0.172 0.000 1.017 252 D CB 0.025 40.919 40.800 0.156 0.000 1.120 252 D HN 0.427 nan 8.370 nan 0.000 0.541 253 Y N 0.415 120.784 120.300 0.116 0.000 2.097 253 Y HA -0.180 4.371 4.550 0.001 0.000 0.282 253 Y C 2.028 178.007 175.900 0.132 0.000 1.152 253 Y CA 2.018 60.191 58.100 0.121 0.000 1.136 253 Y CB -0.051 38.468 38.460 0.098 0.000 0.975 253 Y HN 0.326 nan 8.280 nan 0.000 0.498 254 K N -1.306 119.149 120.400 0.090 0.000 2.063 254 K HA -0.273 4.047 4.320 0.001 0.000 0.208 254 K C 2.059 178.648 176.600 -0.018 0.000 1.048 254 K CA 1.981 58.284 56.287 0.027 0.000 0.928 254 K CB -0.671 31.899 32.500 0.115 0.000 0.713 254 K HN 0.413 nan 8.250 nan 0.000 0.442 255 Y N 1.921 122.179 120.300 -0.070 0.000 2.163 255 Y HA -0.206 4.345 4.550 0.001 0.000 0.288 255 Y C 2.359 178.179 175.900 -0.133 0.000 1.136 255 Y CA 1.718 59.780 58.100 -0.064 0.000 1.147 255 Y CB -0.537 37.921 38.460 -0.005 0.000 0.987 255 Y HN -0.017 nan 8.280 nan 0.000 0.509 256 T N 0.071 114.531 114.554 -0.156 0.000 2.699 256 T HA -0.251 4.100 4.350 0.001 0.000 0.268 256 T C 1.458 175.802 174.700 -0.594 0.000 1.036 256 T CA 1.855 63.742 62.100 -0.355 0.000 1.147 256 T CB -0.484 68.241 68.868 -0.238 0.000 0.862 256 T HN 0.426 nan 8.240 nan 0.000 0.446 257 D N 0.672 120.764 120.400 -0.512 0.000 2.117 257 D HA -0.037 4.603 4.640 0.001 0.000 0.198 257 D C 2.175 178.333 176.300 -0.236 0.000 0.982 257 D CA 1.096 54.914 54.000 -0.304 0.000 0.828 257 D CB -0.061 40.558 40.800 -0.301 0.000 0.967 257 D HN 0.290 nan 8.370 nan 0.000 0.464 258 K N -0.053 120.203 120.400 -0.240 0.000 2.057 258 K HA -0.098 4.222 4.320 0.001 0.000 0.207 258 K C 2.109 178.564 176.600 -0.241 0.000 1.049 258 K CA 0.757 56.934 56.287 -0.183 0.000 0.931 258 K CB 0.041 32.446 32.500 -0.159 0.000 0.714 258 K HN 0.214 nan 8.250 nan 0.000 0.440 259 I N 1.145 121.459 120.570 -0.427 0.000 2.163 259 I HA -0.235 3.935 4.170 0.001 0.000 0.240 259 I C 2.362 178.312 176.117 -0.277 0.000 1.081 259 I CA 1.437 62.515 61.300 -0.371 0.000 1.353 259 I CB -0.915 36.778 38.000 -0.513 0.000 1.054 259 I HN 0.215 nan 8.210 nan 0.000 0.407 260 M N 0.121 119.395 119.600 -0.544 0.000 2.159 260 M HA -0.154 4.326 4.480 0.001 0.000 0.263 260 M C 2.300 178.431 176.300 -0.283 0.000 1.063 260 M CA 1.581 56.479 55.300 -0.671 0.000 1.110 260 M CB -1.731 29.758 32.600 -1.852 0.000 1.374 260 M HN 0.239 nan 8.290 nan 0.000 0.411 261 T N -0.171 114.263 114.554 -0.201 0.000 2.708 261 T HA -0.188 4.163 4.350 0.001 0.000 0.266 261 T C 1.676 176.476 174.700 0.167 0.000 1.037 261 T CA 1.394 63.604 62.100 0.184 0.000 1.146 261 T CB -0.547 68.439 68.868 0.197 0.000 0.865 261 T HN 0.336 nan 8.240 nan 0.000 0.435 262 Y N 1.968 122.240 120.300 -0.047 0.000 2.081 262 Y HA -0.149 4.401 4.550 0.001 0.000 0.280 262 Y C 2.018 177.863 175.900 -0.091 0.000 1.163 262 Y CA 1.180 59.227 58.100 -0.089 0.000 1.135 262 Y CB -0.687 37.700 38.460 -0.121 0.000 0.970 262 Y HN 0.131 nan 8.280 nan 0.000 0.498 263 L N -1.393 119.785 121.223 -0.076 0.000 2.261 263 L HA -0.229 4.111 4.340 0.001 0.000 0.216 263 L C 1.289 178.018 176.870 -0.235 0.000 1.114 263 L CA 1.239 55.960 54.840 -0.198 0.000 0.777 263 L CB -0.458 41.529 42.059 -0.121 0.000 0.910 263 L HN 0.222 nan 8.230 nan 0.000 0.440 264 F N -1.620 118.304 119.950 -0.043 0.000 2.654 264 F HA 0.106 4.634 4.527 0.001 0.000 0.303 264 F C 0.717 176.618 175.800 0.169 0.000 1.099 264 F CA -0.634 57.442 58.000 0.127 0.000 1.270 264 F CB 0.258 39.349 39.000 0.151 0.000 1.024 264 F HN -0.109 nan 8.300 nan 0.000 0.548 265 D N 1.129 121.453 120.400 -0.127 0.000 2.508 265 D HA 0.154 4.795 4.640 0.001 0.000 0.224 265 D C -0.799 175.083 176.300 -0.698 0.000 1.171 265 D CA 0.462 54.292 54.000 -0.282 0.000 1.006 265 D CB -0.424 40.186 40.800 -0.317 0.000 1.073 265 D HN -0.047 nan 8.370 nan 0.000 0.513 266 F N 1.672 121.563 119.950 -0.100 0.000 2.603 266 F HA 0.376 4.904 4.527 0.002 0.000 0.317 266 F C -1.266 174.415 175.800 -0.198 0.000 1.066 266 F CA -2.139 55.707 58.000 -0.256 0.000 0.941 266 F CB 1.753 40.386 39.000 -0.612 0.000 1.291 266 F HN -0.002 nan 8.300 nan 0.000 0.472 267 P HA -0.049 nan 4.420 nan 0.000 0.244 267 P C -0.831 176.579 177.300 0.183 0.000 1.211 267 P CA 1.190 64.340 63.100 0.082 0.000 0.760 267 P CB -0.633 31.141 31.700 0.122 0.000 0.961 268 H N -4.424 114.816 119.070 0.284 0.000 2.960 268 H HA 0.702 5.259 4.556 0.001 0.000 0.338 268 H C 0.541 176.021 175.328 0.253 0.000 1.261 268 H CA -0.893 55.285 56.048 0.217 0.000 1.136 268 H CB 0.338 30.171 29.762 0.119 0.000 1.875 268 H HN -0.144 nan 8.280 nan 0.000 0.550 269 G N -0.706 108.337 108.800 0.404 0.000 3.329 269 G HA2 0.247 4.208 3.960 0.001 0.000 0.180 269 G HA3 0.247 4.208 3.960 0.001 0.000 0.180 269 G C -1.380 173.751 174.900 0.385 0.000 1.640 269 G CA -0.974 44.322 45.100 0.327 0.000 1.018 269 G HN 0.534 nan 8.290 nan 0.000 0.581 270 P HA -0.005 nan 4.420 nan 0.000 0.216 270 P C 0.174 177.517 177.300 0.071 0.000 1.153 270 P CA 1.456 64.676 63.100 0.199 0.000 0.858 270 P CB 0.122 31.913 31.700 0.151 0.000 0.789 271 K N -2.231 118.169 120.400 -0.001 0.000 2.443 271 K HA 0.455 4.776 4.320 0.001 0.000 0.251 271 K C -2.857 173.501 176.600 -0.403 0.000 0.972 271 K CA -2.802 53.364 56.287 -0.201 0.000 0.833 271 K CB 1.051 33.482 32.500 -0.115 0.000 1.317 271 K HN -0.306 nan 8.250 nan 0.000 0.441 272 P HA -0.057 nan 4.420 nan 0.000 0.264 272 P C 0.580 177.795 177.300 -0.142 0.000 1.183 272 P CA 1.103 63.930 63.100 -0.455 0.000 0.763 272 P CB 0.413 31.927 31.700 -0.310 0.000 0.807 273 G N 1.699 110.489 108.800 -0.017 0.000 2.234 273 G HA2 -0.223 3.738 3.960 0.001 0.000 0.235 273 G HA3 -0.223 3.738 3.960 0.001 0.000 0.235 273 G C 0.292 175.226 174.900 0.056 0.000 0.997 273 G CA 0.238 45.353 45.100 0.025 0.000 0.623 273 G HN 0.812 nan 8.290 nan 0.000 0.514 274 S N 0.389 116.134 115.700 0.074 0.000 2.616 274 S HA 0.722 5.193 4.470 0.001 0.000 0.277 274 S C 0.456 175.141 174.600 0.142 0.000 1.234 274 S CA 0.494 58.747 58.200 0.088 0.000 1.028 274 S CB 1.842 65.087 63.200 0.075 0.000 0.988 274 S HN 0.922 nan 8.310 nan 0.000 0.522 275 S N 2.695 118.462 115.700 0.111 0.000 2.552 275 S HA 0.008 4.478 4.470 0.001 0.000 0.289 275 S C 0.412 175.120 174.600 0.179 0.000 1.304 275 S CA -0.254 58.025 58.200 0.133 0.000 1.063 275 S CB -0.279 62.973 63.200 0.086 0.000 0.848 275 S HN 0.799 nan 8.310 nan 0.000 0.499 276 H N 3.641 122.788 119.070 0.128 0.000 2.897 276 H HA 0.169 4.726 4.556 0.001 0.000 0.347 276 H C 0.236 175.648 175.328 0.140 0.000 1.068 276 H CA 0.227 56.368 56.048 0.155 0.000 1.426 276 H CB 0.364 30.200 29.762 0.124 0.000 1.410 276 H HN 0.620 nan 8.280 nan 0.000 0.597 277 R N 3.757 124.035 120.500 -0.370 0.000 2.795 277 R HA 0.480 4.820 4.340 0.001 0.000 0.275 277 R C -3.017 173.134 176.300 -0.247 0.000 0.981 277 R CA -2.202 53.775 56.100 -0.205 0.000 0.917 277 R CB 0.831 31.048 30.300 -0.139 0.000 1.202 277 R HN 0.377 nan 8.270 nan 0.000 0.469 278 P HA -0.064 nan 4.420 nan 0.000 0.269 278 P C 0.579 177.802 177.300 -0.129 0.000 1.209 278 P CA -0.510 62.563 63.100 -0.044 0.000 0.776 278 P CB 0.275 31.906 31.700 -0.114 0.000 0.876 279 W N 2.745 123.887 121.300 -0.263 0.000 2.331 279 W HA -0.233 4.427 4.660 0.001 0.000 0.291 279 W C 0.525 176.958 176.519 -0.143 0.000 1.214 279 W CA 1.051 57.969 57.345 -0.712 0.000 1.228 279 W CB -1.545 27.496 29.460 -0.699 0.000 1.135 279 W HN 0.325 nan 8.180 nan 0.000 0.537 280 Q N 1.690 121.038 119.800 -0.753 0.000 2.291 280 Q HA -0.147 4.194 4.340 0.001 0.000 0.205 280 Q C 2.591 178.529 176.000 -0.102 0.000 0.970 280 Q CA 2.671 58.101 55.803 -0.621 0.000 0.876 280 Q CB -0.663 27.561 28.738 -0.857 0.000 0.935 280 Q HN 0.441 nan 8.270 nan 0.000 0.455 281 S N -0.996 114.626 115.700 -0.130 0.000 2.447 281 S HA -0.153 4.318 4.470 0.001 0.000 0.233 281 S C 1.383 175.861 174.600 -0.202 0.000 1.006 281 S CA 0.673 58.777 58.200 -0.161 0.000 0.957 281 S CB -0.440 62.597 63.200 -0.272 0.000 0.773 281 S HN 0.441 nan 8.310 nan 0.000 0.507 282 Y N 0.723 120.927 120.300 -0.160 0.000 2.578 282 Y HA 0.379 4.930 4.550 0.001 0.000 0.297 282 Y C 0.058 175.661 175.900 -0.494 0.000 1.176 282 Y CA -0.272 57.633 58.100 -0.326 0.000 1.315 282 Y CB -0.132 38.062 38.460 -0.444 0.000 1.031 282 Y HN 0.205 nan 8.280 nan 0.000 0.524 283 F N -0.395 119.644 119.950 0.148 0.000 2.507 283 F HA 0.273 4.800 4.527 0.001 0.000 0.325 283 F C 0.746 176.635 175.800 0.147 0.000 1.116 283 F CA -1.301 56.811 58.000 0.186 0.000 0.930 283 F CB 1.255 40.394 39.000 0.232 0.000 1.146 283 F HN -0.114 nan 8.300 nan 0.000 0.447 284 D N 2.126 122.742 120.400 0.359 0.000 2.323 284 D HA 0.074 4.714 4.640 0.001 0.000 0.209 284 D C -0.079 176.392 176.300 0.285 0.000 0.973 284 D CA 1.077 55.233 54.000 0.260 0.000 0.874 284 D CB 0.958 41.898 40.800 0.234 0.000 0.930 284 D HN 0.281 nan 8.370 nan 0.000 0.521 285 L N 0.764 122.223 121.223 0.394 0.000 2.588 285 L HA 0.369 4.710 4.340 0.001 0.000 0.263 285 L C -1.849 175.265 176.870 0.407 0.000 0.935 285 L CA -0.439 54.629 54.840 0.379 0.000 0.891 285 L CB 2.304 44.572 42.059 0.348 0.000 1.318 285 L HN -0.284 nan 8.230 nan 0.000 0.409 286 I N 5.703 126.454 120.570 0.302 0.000 2.418 286 I HA 0.488 4.659 4.170 0.001 0.000 0.287 286 I C -1.104 175.182 176.117 0.283 0.000 1.008 286 I CA -0.542 60.898 61.300 0.232 0.000 1.104 286 I CB 2.056 40.141 38.000 0.142 0.000 1.264 286 I HN 0.462 nan 8.210 nan 0.000 0.438 287 L N 8.421 129.810 121.223 0.276 0.000 2.409 287 L HA 0.740 5.081 4.340 0.001 0.000 0.272 287 L C -0.785 176.189 176.870 0.173 0.000 0.980 287 L CA -0.518 54.477 54.840 0.259 0.000 0.826 287 L CB 1.741 43.961 42.059 0.268 0.000 1.268 287 L HN 0.477 nan 8.230 nan 0.000 0.407 288 V N 0.223 120.242 119.914 0.175 0.000 3.234 288 V HA 0.615 4.736 4.120 0.001 0.000 0.317 288 V C -0.269 175.889 176.094 0.106 0.000 1.147 288 V CA -0.558 61.831 62.300 0.147 0.000 1.037 288 V CB 1.509 33.463 31.823 0.219 0.000 1.148 288 V HN 0.883 nan 8.190 nan 0.000 0.455 289 D N -0.202 120.252 120.400 0.090 0.000 2.692 289 D HA -0.246 4.394 4.640 0.001 0.000 0.233 289 D C 1.319 177.640 176.300 0.035 0.000 1.172 289 D CA 1.088 55.124 54.000 0.060 0.000 0.636 289 D CB -0.990 39.853 40.800 0.071 0.000 1.028 289 D HN 1.139 nan 8.370 nan 0.000 0.419 290 A N 0.495 123.299 122.820 -0.027 0.000 1.972 290 A HA -0.139 4.181 4.320 0.001 0.000 0.219 290 A C 1.352 178.917 177.584 -0.031 0.000 1.169 290 A CA 1.577 53.528 52.037 -0.144 0.000 0.635 290 A CB -0.133 18.562 19.000 -0.509 0.000 0.810 290 A HN 0.484 nan 8.150 nan 0.000 0.446 291 R N -0.860 119.631 120.500 -0.015 0.000 3.264 291 R HA -0.148 4.193 4.340 0.001 0.000 0.251 291 R C -0.856 175.463 176.300 0.032 0.000 0.971 291 R CA 0.879 56.990 56.100 0.018 0.000 0.658 291 R CB -1.726 28.593 30.300 0.032 0.000 1.095 291 R HN 0.599 nan 8.270 nan 0.000 0.443 292 K N 1.134 121.528 120.400 -0.010 0.000 2.326 292 K HA 0.078 4.398 4.320 0.001 0.000 0.275 292 K C -0.911 175.733 176.600 0.074 0.000 1.018 292 K CA -1.240 55.067 56.287 0.034 0.000 0.962 292 K CB 0.638 33.168 32.500 0.051 0.000 0.953 292 K HN 0.013 nan 8.250 nan 0.000 0.475 293 P HA -0.099 nan 4.420 nan 0.000 0.231 293 P C 1.117 178.497 177.300 0.133 0.000 1.168 293 P CA 0.491 63.689 63.100 0.164 0.000 0.779 293 P CB 0.207 31.946 31.700 0.066 0.000 0.844 294 L N -0.375 120.896 121.223 0.080 0.000 2.129 294 L HA -0.157 4.184 4.340 0.001 0.000 0.212 294 L C 2.287 179.145 176.870 -0.020 0.000 1.087 294 L CA 1.600 56.460 54.840 0.033 0.000 0.757 294 L CB -1.562 40.515 42.059 0.031 0.000 0.896 294 L HN -0.188 nan 8.230 nan 0.000 0.434 295 F N -0.084 119.728 119.950 -0.230 0.000 2.154 295 F HA -0.279 4.248 4.527 0.001 0.000 0.301 295 F C 1.645 177.096 175.800 -0.582 0.000 1.087 295 F CA 1.646 59.386 58.000 -0.432 0.000 1.274 295 F CB -0.404 38.219 39.000 -0.628 0.000 1.009 295 F HN 0.134 nan 8.300 nan 0.000 0.485 296 F N -0.017 119.838 119.950 -0.159 0.000 2.802 296 F HA 0.218 4.746 4.527 0.002 0.000 0.300 296 F C 1.658 177.287 175.800 -0.286 0.000 1.168 296 F CA 0.443 58.240 58.000 -0.339 0.000 1.433 296 F CB -0.862 37.928 39.000 -0.350 0.000 1.115 296 F HN 0.032 nan 8.300 nan 0.000 0.582 297 G N -0.507 108.221 108.800 -0.120 0.000 3.387 297 G HA2 0.108 4.069 3.960 0.001 0.000 0.194 297 G HA3 0.108 4.069 3.960 0.001 0.000 0.194 297 G C 0.591 175.404 174.900 -0.145 0.000 1.417 297 G CA -0.142 44.895 45.100 -0.105 0.000 0.777 297 G HN 0.054 nan 8.290 nan 0.000 0.721 298 E N -0.234 119.906 120.200 -0.101 0.000 2.209 298 E HA 0.180 4.530 4.350 0.001 0.000 0.196 298 E C 1.505 178.029 176.600 -0.126 0.000 0.993 298 E CA 1.550 57.892 56.400 -0.098 0.000 0.819 298 E CB -0.579 29.086 29.700 -0.059 0.000 0.745 298 E HN 1.109 nan 8.360 nan 0.000 0.477 299 G N -0.910 107.807 108.800 -0.138 0.000 2.601 299 G HA2 -0.304 3.657 3.960 0.001 0.000 0.252 299 G HA3 -0.304 3.657 3.960 0.001 0.000 0.252 299 G C 0.204 175.067 174.900 -0.061 0.000 1.294 299 G CA 0.451 45.469 45.100 -0.137 0.000 0.912 299 G HN 0.708 nan 8.290 nan 0.000 0.574 300 T N -3.944 110.590 114.554 -0.034 0.000 2.773 300 T HA 0.691 5.042 4.350 0.001 0.000 0.278 300 T C 0.194 174.888 174.700 -0.010 0.000 1.011 300 T CA -0.055 62.039 62.100 -0.010 0.000 1.014 300 T CB 1.582 70.460 68.868 0.016 0.000 1.293 300 T HN 1.464 nan 8.240 nan 0.000 0.554 301 V N 1.548 121.466 119.914 0.006 0.000 2.599 301 V HA 0.178 4.299 4.120 0.001 0.000 0.300 301 V C 0.361 176.480 176.094 0.041 0.000 1.034 301 V CA -0.367 61.942 62.300 0.015 0.000 1.115 301 V CB 0.510 32.344 31.823 0.020 0.000 0.934 301 V HN 0.760 nan 8.190 nan 0.000 0.485 302 L N 8.549 129.800 121.223 0.047 0.000 2.433 302 L HA 0.314 4.655 4.340 0.001 0.000 0.275 302 L C 0.356 177.324 176.870 0.163 0.000 1.128 302 L CA 0.711 55.608 54.840 0.095 0.000 0.875 302 L CB -0.064 42.038 42.059 0.072 0.000 1.171 302 L HN 0.553 nan 8.230 nan 0.000 0.463 303 R N 4.056 124.656 120.500 0.167 0.000 2.832 303 R HA 0.431 4.772 4.340 0.001 0.000 0.271 303 R C -0.956 175.425 176.300 0.136 0.000 0.996 303 R CA -0.761 55.429 56.100 0.150 0.000 0.977 303 R CB 1.483 31.838 30.300 0.092 0.000 1.168 303 R HN 0.677 nan 8.270 nan 0.000 0.482 304 Q N 1.207 121.031 119.800 0.039 0.000 2.316 304 Q HA 0.343 4.684 4.340 0.001 0.000 0.264 304 Q C -1.064 174.852 176.000 -0.140 0.000 0.987 304 Q CA -0.683 55.027 55.803 -0.155 0.000 0.852 304 Q CB 1.955 30.496 28.738 -0.328 0.000 1.287 304 Q HN 0.335 nan 8.270 nan 0.000 0.448 305 V N 3.842 123.628 119.914 -0.213 0.000 2.530 305 V HA 0.030 4.150 4.120 0.001 0.000 0.282 305 V C 0.151 176.088 176.094 -0.262 0.000 1.048 305 V CA -0.209 61.954 62.300 -0.227 0.000 0.997 305 V CB 1.286 32.901 31.823 -0.346 0.000 0.987 305 V HN 0.788 nan 8.190 nan 0.000 0.477 306 D N 3.921 124.216 120.400 -0.176 0.000 2.383 306 D HA 0.032 4.673 4.640 0.001 0.000 0.245 306 D C 1.487 177.668 176.300 -0.198 0.000 1.263 306 D CA 0.255 54.162 54.000 -0.154 0.000 0.936 306 D CB 1.371 42.126 40.800 -0.076 0.000 1.053 306 D HN 0.786 nan 8.370 nan 0.000 0.507 307 T N 1.129 115.513 114.554 -0.284 0.000 2.962 307 T HA -0.130 4.221 4.350 0.001 0.000 0.270 307 T C 1.598 176.266 174.700 -0.053 0.000 1.088 307 T CA 0.846 62.759 62.100 -0.312 0.000 1.127 307 T CB 0.138 68.791 68.868 -0.358 0.000 0.883 307 T HN 0.292 nan 8.240 nan 0.000 0.493 308 K N 1.175 121.547 120.400 -0.046 0.000 2.001 308 K HA -0.052 4.268 4.320 0.001 0.000 0.208 308 K C 2.786 179.406 176.600 0.032 0.000 1.048 308 K CA 1.868 58.158 56.287 0.005 0.000 0.932 308 K CB -0.402 32.093 32.500 -0.009 0.000 0.715 308 K HN 0.625 nan 8.250 nan 0.000 0.437 309 T N -3.151 111.413 114.554 0.017 0.000 3.057 309 T HA 0.159 4.509 4.350 0.001 0.000 0.254 309 T C 1.487 176.228 174.700 0.068 0.000 1.094 309 T CA 0.585 62.707 62.100 0.037 0.000 1.088 309 T CB 0.403 69.283 68.868 0.021 0.000 0.934 309 T HN 0.381 nan 8.240 nan 0.000 0.497 310 G N 1.575 110.424 108.800 0.082 0.000 2.179 310 G HA2 -0.253 3.708 3.960 0.001 0.000 0.260 310 G HA3 -0.253 3.708 3.960 0.001 0.000 0.260 310 G C -0.016 174.943 174.900 0.097 0.000 0.977 310 G CA 0.361 45.555 45.100 0.156 0.000 0.641 310 G HN 0.691 nan 8.290 nan 0.000 0.533 311 K N -0.210 120.215 120.400 0.043 0.000 2.106 311 K HA 0.709 5.030 4.320 0.001 0.000 0.246 311 K C 0.669 177.273 176.600 0.006 0.000 0.987 311 K CA -0.884 55.424 56.287 0.034 0.000 0.904 311 K CB 1.252 33.769 32.500 0.028 0.000 1.071 311 K HN 0.150 nan 8.250 nan 0.000 0.453 312 L N 2.143 123.377 121.223 0.018 0.000 2.397 312 L HA 0.207 4.548 4.340 0.001 0.000 0.271 312 L C 0.433 177.306 176.870 0.006 0.000 1.148 312 L CA -0.401 54.443 54.840 0.007 0.000 0.825 312 L CB 0.333 42.409 42.059 0.029 0.000 1.117 312 L HN 0.427 nan 8.230 nan 0.000 0.456 313 K N 2.245 122.643 120.400 -0.004 0.000 2.276 313 K HA 0.240 4.561 4.320 0.001 0.000 0.259 313 K C -0.324 176.293 176.600 0.029 0.000 1.001 313 K CA -0.540 55.753 56.287 0.010 0.000 0.927 313 K CB 0.678 33.186 32.500 0.012 0.000 0.969 313 K HN 0.321 nan 8.250 nan 0.000 0.490 314 I N 2.067 122.655 120.570 0.030 0.000 2.416 314 I HA 0.209 4.379 4.170 0.001 0.000 0.288 314 I C 0.934 177.077 176.117 0.043 0.000 1.051 314 I CA 0.797 62.117 61.300 0.033 0.000 1.375 314 I CB -0.236 37.779 38.000 0.026 0.000 1.407 314 I HN 0.871 nan 8.210 nan 0.000 0.516 315 G N 4.771 113.599 108.800 0.046 0.000 2.570 315 G HA2 -0.106 3.855 3.960 0.001 0.000 0.686 315 G HA3 -0.106 3.855 3.960 0.001 0.000 0.686 315 G C -0.495 174.448 174.900 0.072 0.000 1.257 315 G CA -1.063 44.068 45.100 0.050 0.000 0.846 315 G HN 0.567 nan 8.290 nan 0.000 0.627 316 T N 1.009 115.602 114.554 0.064 0.000 2.884 316 T HA 0.415 4.766 4.350 0.001 0.000 0.298 316 T C -0.043 174.725 174.700 0.115 0.000 0.998 316 T CA 0.290 62.439 62.100 0.082 0.000 1.124 316 T CB 0.985 69.876 68.868 0.039 0.000 0.931 316 T HN 0.714 nan 8.240 nan 0.000 0.531 317 Y N 3.348 123.676 120.300 0.046 0.000 2.393 317 Y HA 0.303 4.853 4.550 0.001 0.000 0.338 317 Y C 1.421 177.353 175.900 0.052 0.000 1.029 317 Y CA -0.463 57.675 58.100 0.064 0.000 1.239 317 Y CB 0.605 39.138 38.460 0.121 0.000 1.170 317 Y HN 0.735 nan 8.280 nan 0.000 0.515 318 T N 1.471 115.663 114.554 -0.602 0.000 3.085 318 T HA 0.406 4.756 4.350 0.001 0.000 0.264 318 T C 0.717 175.080 174.700 -0.561 0.000 1.019 318 T CA 0.066 61.906 62.100 -0.433 0.000 0.910 318 T CB -0.243 68.490 68.868 -0.225 0.000 1.059 318 T HN 0.719 nan 8.240 nan 0.000 0.542 319 G N 2.498 110.583 108.800 -1.191 0.000 2.543 319 G HA2 0.659 4.620 3.960 0.001 0.000 0.290 319 G HA3 0.659 4.620 3.960 0.001 0.000 0.290 319 G C -2.520 172.293 174.900 -0.144 0.000 1.310 319 G CA -1.450 43.277 45.100 -0.622 0.000 1.025 319 G HN 0.268 nan 8.290 nan 0.000 0.502 320 P HA 0.330 nan 4.420 nan 0.000 0.287 320 P C -0.705 176.791 177.300 0.327 0.000 1.296 320 P CA -0.910 62.298 63.100 0.179 0.000 0.811 320 P CB 1.205 32.967 31.700 0.103 0.000 1.211 321 L N 0.964 122.346 121.223 0.266 0.000 2.615 321 L HA 0.031 4.372 4.340 0.001 0.000 0.271 321 L C 0.390 177.360 176.870 0.166 0.000 1.183 321 L CA 1.089 56.085 54.840 0.259 0.000 0.933 321 L CB -1.107 41.072 42.059 0.201 0.000 1.199 321 L HN 0.285 nan 8.230 nan 0.000 0.487 322 Q N 2.463 122.332 119.800 0.116 0.000 2.301 322 Q HA 0.255 4.596 4.340 0.001 0.000 0.267 322 Q C -0.849 175.170 176.000 0.031 0.000 1.035 322 Q CA -1.047 54.798 55.803 0.071 0.000 0.856 322 Q CB 1.651 30.414 28.738 0.043 0.000 1.337 322 Q HN 0.661 nan 8.270 nan 0.000 0.450 323 H N -0.167 118.895 119.070 -0.013 0.000 3.001 323 H HA 0.140 4.697 4.556 0.001 0.000 0.334 323 H C 1.060 176.341 175.328 -0.078 0.000 1.034 323 H CA 1.938 57.964 56.048 -0.036 0.000 1.420 323 H CB 0.274 30.015 29.762 -0.035 0.000 1.405 323 H HN 0.807 nan 8.280 nan 0.000 0.593 324 G N 3.684 111.973 108.800 -0.852 0.000 2.184 324 G HA2 -0.303 3.658 3.960 0.001 0.000 0.264 324 G HA3 -0.303 3.658 3.960 0.001 0.000 0.264 324 G C 0.459 175.086 174.900 -0.455 0.000 0.975 324 G CA 0.247 44.885 45.100 -0.770 0.000 0.642 324 G HN 0.852 nan 8.290 nan 0.000 0.536 325 I N 0.768 121.089 120.570 -0.416 0.000 2.581 325 I HA 0.578 4.748 4.170 0.001 0.000 0.288 325 I C -0.014 175.745 176.117 -0.596 0.000 1.047 325 I CA -0.783 60.202 61.300 -0.524 0.000 1.374 325 I CB 1.214 38.841 38.000 -0.621 0.000 1.423 325 I HN -0.071 nan 8.210 nan 0.000 0.549 326 V N 7.556 127.103 119.914 -0.611 0.000 2.531 326 V HA 0.366 4.487 4.120 0.001 0.000 0.301 326 V C -0.850 174.970 176.094 -0.457 0.000 1.034 326 V CA -0.473 61.560 62.300 -0.444 0.000 0.865 326 V CB 1.384 33.007 31.823 -0.333 0.000 0.995 326 V HN 0.561 nan 8.190 nan 0.000 0.424 327 Y N 1.790 122.048 120.300 -0.069 0.000 2.374 327 Y HA 0.660 5.211 4.550 0.001 0.000 0.322 327 Y C 0.763 176.671 175.900 0.014 0.000 1.275 327 Y CA -0.513 57.559 58.100 -0.046 0.000 1.307 327 Y CB 1.714 40.181 38.460 0.011 0.000 1.282 327 Y HN 0.573 nan 8.280 nan 0.000 0.509 328 S N 0.541 116.372 115.700 0.219 0.000 2.614 328 S HA 0.674 5.145 4.470 0.001 0.000 0.288 328 S C -0.054 174.634 174.600 0.147 0.000 1.137 328 S CA 0.227 58.520 58.200 0.154 0.000 0.992 328 S CB 0.526 63.788 63.200 0.104 0.000 1.026 328 S HN 1.398 nan 8.310 nan 0.000 0.486 329 G N 3.747 112.630 108.800 0.139 0.000 2.545 329 G HA2 0.315 4.276 3.960 0.001 0.000 0.240 329 G HA3 0.315 4.276 3.960 0.001 0.000 0.240 329 G C 1.058 176.056 174.900 0.164 0.000 1.172 329 G CA 0.401 45.578 45.100 0.128 0.000 0.949 329 G HN 2.478 nan 8.290 nan 0.000 0.574 330 G N -1.279 107.568 108.800 0.078 0.000 2.569 330 G HA2 0.353 4.314 3.960 0.001 0.000 0.259 330 G HA3 0.353 4.314 3.960 0.001 0.000 0.259 330 G C 0.634 175.454 174.900 -0.133 0.000 1.263 330 G CA 1.991 47.084 45.100 -0.012 0.000 0.928 330 G HN 2.997 nan 8.290 nan 0.000 0.572 331 S N -2.468 112.981 115.700 -0.419 0.000 2.671 331 S HA 0.746 5.216 4.470 0.001 0.000 0.277 331 S C 1.355 175.089 174.600 -1.443 0.000 1.165 331 S CA 0.743 58.330 58.200 -1.022 0.000 0.822 331 S CB 1.209 64.068 63.200 -0.568 0.000 1.150 331 S HN 2.472 nan 8.310 nan 0.000 0.479 332 S N 0.410 115.057 115.700 -1.754 0.000 2.400 332 S HA -0.180 4.291 4.470 0.001 0.000 0.232 332 S C 0.999 175.465 174.600 -0.225 0.000 1.025 332 S CA 1.760 59.458 58.200 -0.838 0.000 0.993 332 S CB -1.015 61.805 63.200 -0.633 0.000 0.808 332 S HN 0.716 nan 8.310 nan 0.000 0.478 333 D N 1.655 121.895 120.400 -0.267 0.000 2.178 333 D HA -0.046 4.595 4.640 0.001 0.000 0.201 333 D C 2.039 178.257 176.300 -0.138 0.000 0.980 333 D CA 1.613 55.535 54.000 -0.130 0.000 0.842 333 D CB -1.006 39.715 40.800 -0.132 0.000 0.948 333 D HN 0.500 nan 8.370 nan 0.000 0.472 334 T N 1.173 115.605 114.554 -0.204 0.000 2.665 334 T HA -0.183 4.168 4.350 0.001 0.000 0.268 334 T C 2.128 176.726 174.700 -0.169 0.000 1.035 334 T CA 0.853 62.837 62.100 -0.195 0.000 1.151 334 T CB -0.277 68.452 68.868 -0.231 0.000 0.862 334 T HN 0.083 nan 8.240 nan 0.000 0.438 335 I N 0.676 121.162 120.570 -0.141 0.000 2.142 335 I HA -0.166 4.005 4.170 0.001 0.000 0.240 335 I C 2.803 178.817 176.117 -0.172 0.000 1.078 335 I CA 1.087 62.258 61.300 -0.214 0.000 1.343 335 I CB -0.534 37.273 38.000 -0.322 0.000 1.046 335 I HN 0.328 nan 8.210 nan 0.000 0.405 336 C N 0.315 119.570 119.300 -0.075 0.000 2.413 336 C HA -0.198 4.263 4.460 0.001 0.000 0.277 336 C C 2.525 177.482 174.990 -0.055 0.000 1.228 336 C CA 1.062 60.048 59.018 -0.053 0.000 1.731 336 C CB -1.109 26.648 27.740 0.029 0.000 2.042 336 C HN 0.528 nan 8.230 nan 0.000 0.468 337 D N 0.719 121.087 120.400 -0.054 0.000 2.097 337 D HA -0.085 4.556 4.640 0.001 0.000 0.195 337 D C 2.034 178.310 176.300 -0.040 0.000 0.989 337 D CA 1.141 55.114 54.000 -0.046 0.000 0.827 337 D CB -0.532 40.236 40.800 -0.054 0.000 0.966 337 D HN 0.435 nan 8.370 nan 0.000 0.456 338 L N -0.055 121.135 121.223 -0.054 0.000 2.291 338 L HA -0.017 4.324 4.340 0.001 0.000 0.214 338 L C 1.872 178.745 176.870 0.005 0.000 1.120 338 L CA 0.497 55.326 54.840 -0.018 0.000 0.799 338 L CB -0.066 41.979 42.059 -0.023 0.000 0.925 338 L HN 0.016 nan 8.230 nan 0.000 0.446 339 L N -0.599 120.610 121.223 -0.024 0.000 2.640 339 L HA 0.280 4.620 4.340 0.001 0.000 0.230 339 L C 1.043 177.905 176.870 -0.013 0.000 1.123 339 L CA -0.032 54.806 54.840 -0.003 0.000 0.900 339 L CB -0.164 41.886 42.059 -0.014 0.000 1.146 339 L HN 0.309 nan 8.230 nan 0.000 0.484 340 G N 1.585 110.373 108.800 -0.021 0.000 2.372 340 G HA2 -0.120 3.841 3.960 0.001 0.000 0.297 340 G HA3 -0.120 3.841 3.960 0.001 0.000 0.297 340 G C 0.044 174.927 174.900 -0.029 0.000 1.005 340 G CA 0.396 45.485 45.100 -0.018 0.000 1.173 340 G HN 0.536 nan 8.290 nan 0.000 0.511 341 A N 0.258 123.050 122.820 -0.046 0.000 2.469 341 A HA 0.935 5.256 4.320 0.001 0.000 0.299 341 A C -0.147 177.404 177.584 -0.054 0.000 1.098 341 A CA -0.844 51.154 52.037 -0.065 0.000 0.737 341 A CB 1.681 20.617 19.000 -0.108 0.000 1.312 341 A HN 0.230 nan 8.150 nan 0.000 0.414 342 K N 0.047 120.416 120.400 -0.052 0.000 2.166 342 K HA 0.498 4.819 4.320 0.001 0.000 0.245 342 K C 1.424 177.995 176.600 -0.048 0.000 0.967 342 K CA -0.129 56.149 56.287 -0.016 0.000 0.863 342 K CB 1.331 33.831 32.500 -0.000 0.000 1.107 342 K HN 0.816 nan 8.250 nan 0.000 0.436 343 G N 1.293 110.121 108.800 0.046 0.000 2.469 343 G HA2 -0.277 3.683 3.960 0.001 0.000 0.220 343 G HA3 -0.277 3.683 3.960 0.001 0.000 0.220 343 G C 1.095 175.984 174.900 -0.018 0.000 1.136 343 G CA 0.891 46.033 45.100 0.070 0.000 0.759 343 G HN 0.527 nan 8.290 nan 0.000 0.562 344 K N 0.216 120.631 120.400 0.024 0.000 2.439 344 K HA 0.000 4.321 4.320 0.001 0.000 0.197 344 K C 1.261 177.838 176.600 -0.038 0.000 1.041 344 K CA 0.700 56.997 56.287 0.016 0.000 0.970 344 K CB 0.165 32.687 32.500 0.037 0.000 0.773 344 K HN 0.186 nan 8.250 nan 0.000 0.479 345 D N 0.464 120.812 120.400 -0.087 0.000 2.355 345 D HA 0.039 4.680 4.640 0.001 0.000 0.218 345 D C 0.336 176.511 176.300 -0.209 0.000 1.004 345 D CA 0.582 54.507 54.000 -0.125 0.000 0.880 345 D CB 0.330 41.059 40.800 -0.118 0.000 0.911 345 D HN 0.178 nan 8.370 nan 0.000 0.528 346 I N 1.504 121.916 120.570 -0.263 0.000 2.336 346 I HA 0.159 4.330 4.170 0.001 0.000 0.292 346 I C -0.448 175.559 176.117 -0.182 0.000 0.991 346 I CA -0.967 60.134 61.300 -0.332 0.000 1.227 346 I CB 1.847 39.396 38.000 -0.751 0.000 1.366 346 I HN -0.248 nan 8.210 nan 0.000 0.466 347 L N 8.349 129.477 121.223 -0.158 0.000 2.262 347 L HA 0.361 4.702 4.340 0.001 0.000 0.288 347 L C -1.026 175.879 176.870 0.058 0.000 1.035 347 L CA -0.244 54.597 54.840 0.001 0.000 0.820 347 L CB 0.432 42.511 42.059 0.032 0.000 1.204 347 L HN 0.358 nan 8.230 nan 0.000 0.424 348 Y N 5.594 125.955 120.300 0.101 0.000 2.320 348 Y HA 0.607 5.158 4.550 0.001 0.000 0.334 348 Y C -0.433 175.529 175.900 0.102 0.000 1.055 348 Y CA -0.742 57.450 58.100 0.153 0.000 1.143 348 Y CB 0.964 39.779 38.460 0.591 0.000 1.193 348 Y HN 0.519 nan 8.280 nan 0.000 0.477 349 I N 5.735 125.911 120.570 -0.656 0.000 2.389 349 I HA 0.708 4.878 4.170 0.001 0.000 0.288 349 I C 0.217 176.055 176.117 -0.464 0.000 0.999 349 I CA -0.393 60.638 61.300 -0.449 0.000 1.129 349 I CB 1.527 39.087 38.000 -0.733 0.000 1.288 349 I HN 0.762 nan 8.210 nan 0.000 0.444 350 G N 3.900 112.656 108.800 -0.073 0.000 2.576 350 G HA2 0.247 4.208 3.960 0.001 0.000 0.290 350 G HA3 0.247 4.208 3.960 0.001 0.000 0.290 350 G C -0.624 174.399 174.900 0.205 0.000 1.442 350 G CA -0.437 44.692 45.100 0.048 0.000 0.792 350 G HN 0.608 nan 8.290 nan 0.000 0.491 351 D N -1.668 118.880 120.400 0.245 0.000 2.407 351 D HA 0.015 4.656 4.640 0.001 0.000 0.208 351 D C 0.244 176.688 176.300 0.241 0.000 1.083 351 D CA -0.003 54.135 54.000 0.229 0.000 0.844 351 D CB 0.318 41.237 40.800 0.198 0.000 0.967 351 D HN 0.444 nan 8.370 nan 0.000 0.506 352 H N 0.688 119.893 119.070 0.224 0.000 2.846 352 H HA 0.179 4.736 4.556 0.001 0.000 0.278 352 H C 1.255 176.699 175.328 0.193 0.000 1.117 352 H CA -0.607 55.581 56.048 0.233 0.000 1.406 352 H CB 0.890 30.814 29.762 0.269 0.000 1.445 352 H HN -0.139 nan 8.280 nan 0.000 0.469 353 I N 4.920 125.702 120.570 0.355 0.000 2.264 353 I HA -0.240 3.930 4.170 0.001 0.000 0.248 353 I C 1.360 177.622 176.117 0.242 0.000 1.111 353 I CA 1.483 62.907 61.300 0.207 0.000 1.382 353 I CB -0.406 37.602 38.000 0.014 0.000 1.060 353 I HN 0.638 nan 8.210 nan 0.000 0.418 354 F N 0.443 120.592 119.950 0.331 0.000 2.123 354 F HA 0.161 4.689 4.527 0.001 0.000 0.289 354 F C 2.331 178.077 175.800 -0.090 0.000 1.099 354 F CA 1.650 59.696 58.000 0.077 0.000 1.234 354 F CB -0.932 38.134 39.000 0.110 0.000 1.034 354 F HN 0.023 nan 8.300 nan 0.000 0.479 355 G N -0.947 107.725 108.800 -0.213 0.000 2.494 355 G HA2 -0.104 3.857 3.960 0.001 0.000 0.216 355 G HA3 -0.104 3.857 3.960 0.001 0.000 0.216 355 G C 1.041 175.943 174.900 0.003 0.000 1.140 355 G CA 0.811 45.750 45.100 -0.268 0.000 0.801 355 G HN 0.323 nan 8.290 nan 0.000 0.536 356 D N 0.192 120.673 120.400 0.135 0.000 2.259 356 D HA 0.071 4.711 4.640 0.001 0.000 0.216 356 D C 2.262 178.602 176.300 0.067 0.000 0.961 356 D CA 0.258 54.434 54.000 0.293 0.000 0.878 356 D CB 0.365 41.442 40.800 0.461 0.000 1.009 356 D HN 0.213 nan 8.370 nan 0.000 0.490 357 I N 0.378 120.948 120.570 0.001 0.000 2.900 357 I HA 0.047 4.218 4.170 0.001 0.000 0.251 357 I C 2.453 178.445 176.117 -0.209 0.000 1.102 357 I CA 0.171 61.457 61.300 -0.023 0.000 1.457 357 I CB -1.048 36.989 38.000 0.062 0.000 1.285 357 I HN -0.055 nan 8.210 nan 0.000 0.459 358 L N 1.228 122.255 121.223 -0.327 0.000 1.971 358 L HA -0.236 4.105 4.340 0.001 0.000 0.215 358 L C 2.702 179.167 176.870 -0.675 0.000 1.072 358 L CA 1.851 56.277 54.840 -0.690 0.000 0.758 358 L CB -0.263 41.313 42.059 -0.805 0.000 0.889 358 L HN 0.106 nan 8.230 nan 0.000 0.433 359 K N 0.083 120.061 120.400 -0.703 0.000 2.057 359 K HA -0.131 4.189 4.320 0.001 0.000 0.207 359 K C 2.373 178.482 176.600 -0.818 0.000 1.049 359 K CA 1.635 57.508 56.287 -0.691 0.000 0.931 359 K CB -0.604 31.545 32.500 -0.585 0.000 0.714 359 K HN 0.640 nan 8.250 nan 0.000 0.440 360 S N 1.200 116.192 115.700 -1.180 0.000 2.368 360 S HA -0.175 4.295 4.470 0.001 0.000 0.225 360 S C 2.105 176.371 174.600 -0.556 0.000 1.030 360 S CA 1.450 58.838 58.200 -1.353 0.000 0.999 360 S CB -0.161 62.239 63.200 -1.333 0.000 0.844 360 S HN 0.156 nan 8.310 nan 0.000 0.459 361 K N 1.705 121.922 120.400 -0.305 0.000 2.002 361 K HA 0.002 4.322 4.320 0.001 0.000 0.209 361 K C 2.113 178.650 176.600 -0.105 0.000 1.048 361 K CA 1.675 57.907 56.287 -0.092 0.000 0.930 361 K CB -0.347 32.170 32.500 0.029 0.000 0.714 361 K HN 0.471 nan 8.250 nan 0.000 0.438 362 K N -0.489 119.791 120.400 -0.199 0.000 2.103 362 K HA 0.024 4.344 4.320 0.001 0.000 0.204 362 K C 2.176 178.695 176.600 -0.135 0.000 1.052 362 K CA 0.810 57.014 56.287 -0.139 0.000 0.945 362 K CB 0.044 32.429 32.500 -0.192 0.000 0.722 362 K HN 0.007 nan 8.250 nan 0.000 0.443 363 R N 0.241 120.617 120.500 -0.207 0.000 2.140 363 R HA 0.068 4.409 4.340 0.001 0.000 0.213 363 R C 1.490 177.713 176.300 -0.129 0.000 1.059 363 R CA 0.989 56.994 56.100 -0.157 0.000 1.000 363 R CB 0.277 30.478 30.300 -0.165 0.000 0.910 363 R HN 0.224 nan 8.270 nan 0.000 0.455 364 Q N -1.584 118.113 119.800 -0.171 0.000 2.143 364 Q HA 0.196 4.537 4.340 0.001 0.000 0.242 364 Q C 0.538 176.593 176.000 0.091 0.000 0.790 364 Q CA 0.617 56.365 55.803 -0.091 0.000 0.954 364 Q CB 1.219 29.759 28.738 -0.329 0.000 1.155 364 Q HN 0.412 nan 8.270 nan 0.000 0.474 365 G N 1.314 110.153 108.800 0.065 0.000 2.221 365 G HA2 -0.228 3.733 3.960 0.001 0.000 0.265 365 G HA3 -0.228 3.733 3.960 0.001 0.000 0.265 365 G C -0.396 174.688 174.900 0.307 0.000 1.041 365 G CA 0.186 45.375 45.100 0.148 0.000 0.807 365 G HN 0.086 nan 8.290 nan 0.000 0.502 366 W N 0.094 121.396 121.300 0.003 0.000 2.112 366 W HA 0.601 5.262 4.660 0.001 0.000 0.349 366 W C 1.018 177.569 176.519 0.054 0.000 1.289 366 W CA -0.913 56.462 57.345 0.049 0.000 1.256 366 W CB 0.365 29.869 29.460 0.074 0.000 1.148 366 W HN 0.082 nan 8.180 nan 0.000 0.590 367 R N 1.110 121.762 120.500 0.252 0.000 2.459 367 R HA 0.422 4.763 4.340 0.001 0.000 0.281 367 R C 0.054 176.500 176.300 0.243 0.000 1.050 367 R CA -0.436 55.777 56.100 0.187 0.000 1.055 367 R CB 0.006 30.376 30.300 0.116 0.000 1.045 367 R HN 0.477 nan 8.270 nan 0.000 0.495 368 T N -1.458 113.220 114.554 0.206 0.000 2.876 368 T HA 0.625 4.976 4.350 0.001 0.000 0.289 368 T C -0.673 174.155 174.700 0.214 0.000 1.014 368 T CA -0.735 61.502 62.100 0.227 0.000 0.986 368 T CB 1.300 70.275 68.868 0.178 0.000 1.021 368 T HN 0.467 nan 8.240 nan 0.000 0.458 369 F N 3.192 123.171 119.950 0.047 0.000 2.507 369 F HA 0.661 5.189 4.527 0.002 0.000 0.328 369 F C -1.434 174.396 175.800 0.050 0.000 1.136 369 F CA -1.388 56.623 58.000 0.017 0.000 0.930 369 F CB 1.385 40.363 39.000 -0.037 0.000 1.166 369 F HN 0.676 nan 8.300 nan 0.000 0.436 370 L N 7.484 128.775 121.223 0.113 0.000 2.295 370 L HA 0.612 4.953 4.340 0.001 0.000 0.285 370 L C -1.228 175.791 176.870 0.248 0.000 1.035 370 L CA -0.503 54.452 54.840 0.191 0.000 0.806 370 L CB 1.508 43.619 42.059 0.087 0.000 1.214 370 L HN 0.425 nan 8.230 nan 0.000 0.426 371 V N 6.890 127.020 119.914 0.360 0.000 2.498 371 V HA 0.324 4.445 4.120 0.001 0.000 0.279 371 V C 0.288 176.528 176.094 0.243 0.000 1.048 371 V CA -0.125 62.395 62.300 0.366 0.000 0.967 371 V CB 1.145 33.204 31.823 0.392 0.000 0.988 371 V HN 0.585 nan 8.190 nan 0.000 0.473 372 I N 6.947 127.651 120.570 0.224 0.000 2.555 372 I HA 0.263 4.433 4.170 0.001 0.000 0.275 372 I C -1.828 174.304 176.117 0.025 0.000 1.082 372 I CA -1.650 59.734 61.300 0.139 0.000 1.167 372 I CB 1.580 39.732 38.000 0.254 0.000 1.312 372 I HN 0.437 nan 8.210 nan 0.000 0.493 373 P HA -0.174 nan 4.420 nan 0.000 0.216 373 P C 1.052 178.139 177.300 -0.356 0.000 1.150 373 P CA 1.402 64.389 63.100 -0.189 0.000 0.843 373 P CB 0.283 31.773 31.700 -0.349 0.000 0.787 374 E N -0.994 118.784 120.200 -0.703 0.000 2.331 374 E HA -0.158 4.193 4.350 0.001 0.000 0.199 374 E C 1.728 178.311 176.600 -0.029 0.000 1.008 374 E CA 0.442 56.506 56.400 -0.560 0.000 0.843 374 E CB -0.910 28.445 29.700 -0.574 0.000 0.761 374 E HN 0.120 nan 8.360 nan 0.000 0.507 375 L N 0.725 122.003 121.223 0.090 0.000 2.079 375 L HA -0.122 4.218 4.340 0.001 0.000 0.210 375 L C 2.075 179.114 176.870 0.281 0.000 1.081 375 L CA 1.873 56.862 54.840 0.249 0.000 0.752 375 L CB -0.869 41.359 42.059 0.282 0.000 0.896 375 L HN 0.139 nan 8.230 nan 0.000 0.433 376 A N -1.361 121.633 122.820 0.290 0.000 2.084 376 A HA -0.273 4.048 4.320 0.001 0.000 0.221 376 A C 2.218 180.045 177.584 0.406 0.000 1.161 376 A CA 2.047 54.297 52.037 0.354 0.000 0.653 376 A CB -0.413 18.788 19.000 0.336 0.000 0.802 376 A HN 0.616 nan 8.150 nan 0.000 0.457 377 Q N -1.253 118.777 119.800 0.385 0.000 2.422 377 Q HA 0.096 4.436 4.340 0.001 0.000 0.255 377 Q C 1.652 177.866 176.000 0.356 0.000 0.864 377 Q CA 0.706 56.731 55.803 0.370 0.000 0.968 377 Q CB 0.013 28.961 28.738 0.350 0.000 1.130 377 Q HN 0.564 nan 8.270 nan 0.000 0.556 378 E N 0.427 120.839 120.200 0.353 0.000 2.160 378 E HA -0.155 4.195 4.350 0.001 0.000 0.195 378 E C 1.747 178.591 176.600 0.406 0.000 0.991 378 E CA 0.997 57.654 56.400 0.427 0.000 0.810 378 E CB 0.043 30.005 29.700 0.436 0.000 0.742 378 E HN 0.396 nan 8.360 nan 0.000 0.466 379 L N 0.316 121.739 121.223 0.334 0.000 2.056 379 L HA -0.163 4.178 4.340 0.001 0.000 0.207 379 L C 2.536 179.604 176.870 0.330 0.000 1.078 379 L CA 0.949 55.954 54.840 0.275 0.000 0.749 379 L CB -0.330 41.852 42.059 0.205 0.000 0.901 379 L HN 0.200 nan 8.230 nan 0.000 0.433 380 H N -1.127 118.161 119.070 0.364 0.000 2.353 380 H HA -0.138 4.419 4.556 0.002 0.000 0.300 380 H C 2.327 177.737 175.328 0.137 0.000 1.090 380 H CA 1.822 58.009 56.048 0.232 0.000 1.327 380 H CB -0.007 29.794 29.762 0.066 0.000 1.383 380 H HN 0.183 nan 8.280 nan 0.000 0.508 381 V N 0.667 120.706 119.914 0.208 0.000 2.343 381 V HA -0.251 3.870 4.120 0.001 0.000 0.247 381 V C 2.368 178.502 176.094 0.066 0.000 1.051 381 V CA 1.570 63.866 62.300 -0.007 0.000 1.036 381 V CB -0.600 30.996 31.823 -0.379 0.000 0.654 381 V HN 0.587 nan 8.190 nan 0.000 0.451 382 W N 0.658 121.991 121.300 0.055 0.000 2.363 382 W HA -0.225 4.435 4.660 -0.001 0.000 0.296 382 W C 2.415 178.952 176.519 0.031 0.000 1.212 382 W CA 2.240 59.624 57.345 0.065 0.000 1.260 382 W CB -0.329 29.155 29.460 0.040 0.000 1.131 382 W HN 0.277 nan 8.180 nan 0.000 0.530 383 T N 0.237 114.875 114.554 0.141 0.000 2.698 383 T HA -0.215 4.135 4.350 0.001 0.000 0.260 383 T C 1.637 176.331 174.700 -0.010 0.000 1.044 383 T CA 1.869 63.996 62.100 0.045 0.000 1.149 383 T CB -0.754 68.183 68.868 0.114 0.000 0.864 383 T HN 0.149 nan 8.240 nan 0.000 0.419 384 D N 0.249 120.668 120.400 0.032 0.000 2.104 384 D HA -0.100 4.541 4.640 0.001 0.000 0.194 384 D C 0.915 177.188 176.300 -0.046 0.000 0.994 384 D CA 0.937 54.941 54.000 0.006 0.000 0.830 384 D CB 0.103 40.918 40.800 0.025 0.000 0.959 384 D HN 0.228 nan 8.370 nan 0.000 0.452 385 K N 0.907 121.260 120.400 -0.079 0.000 2.811 385 K HA 0.075 4.396 4.320 0.001 0.000 0.217 385 K C 1.411 177.920 176.600 -0.152 0.000 1.115 385 K CA -0.043 56.185 56.287 -0.098 0.000 1.179 385 K CB 0.620 33.060 32.500 -0.101 0.000 0.994 385 K HN 0.113 nan 8.250 nan 0.000 0.464 386 S N -0.294 115.290 115.700 -0.192 0.000 2.447 386 S HA -0.174 4.297 4.470 0.001 0.000 0.233 386 S C 2.092 176.608 174.600 -0.140 0.000 1.006 386 S CA 1.407 59.443 58.200 -0.274 0.000 0.957 386 S CB -0.139 62.908 63.200 -0.255 0.000 0.773 386 S HN 0.379 nan 8.310 nan 0.000 0.507 387 S N 2.879 118.522 115.700 -0.095 0.000 2.365 387 S HA -0.136 4.334 4.470 0.001 0.000 0.221 387 S C 1.868 176.435 174.600 -0.056 0.000 1.037 387 S CA 1.398 59.558 58.200 -0.067 0.000 1.060 387 S CB -1.226 61.943 63.200 -0.051 0.000 0.974 387 S HN 0.506 nan 8.310 nan 0.000 0.427 388 L N -0.167 121.035 121.223 -0.035 0.000 2.013 388 L HA -0.076 4.265 4.340 0.001 0.000 0.212 388 L C 2.601 179.481 176.870 0.017 0.000 1.073 388 L CA 2.102 56.940 54.840 -0.003 0.000 0.753 388 L CB -0.578 41.495 42.059 0.023 0.000 0.890 388 L HN 0.379 nan 8.230 nan 0.000 0.432 389 F N 0.699 120.564 119.950 -0.143 0.000 2.134 389 F HA -0.200 4.327 4.527 0.000 0.000 0.299 389 F C 2.372 178.104 175.800 -0.113 0.000 1.097 389 F CA 1.616 59.525 58.000 -0.151 0.000 1.264 389 F CB -0.206 38.568 39.000 -0.377 0.000 1.001 389 F HN 0.093 nan 8.300 nan 0.000 0.479 390 E N -0.018 120.046 120.200 -0.227 0.000 2.051 390 E HA -0.290 4.061 4.350 0.001 0.000 0.192 390 E C 2.142 178.614 176.600 -0.213 0.000 0.991 390 E CA 1.463 57.712 56.400 -0.251 0.000 0.799 390 E CB -0.398 29.225 29.700 -0.129 0.000 0.748 390 E HN 0.609 nan 8.360 nan 0.000 0.449 391 E N 0.903 121.020 120.200 -0.138 0.000 2.058 391 E HA -0.240 4.110 4.350 0.001 0.000 0.194 391 E C 2.180 178.717 176.600 -0.106 0.000 0.997 391 E CA 0.989 57.330 56.400 -0.098 0.000 0.801 391 E CB -0.046 29.622 29.700 -0.055 0.000 0.746 391 E HN 0.126 nan 8.360 nan 0.000 0.450 392 L N 1.190 122.336 121.223 -0.128 0.000 1.994 392 L HA -0.212 4.129 4.340 0.001 0.000 0.208 392 L C 2.393 179.151 176.870 -0.187 0.000 1.071 392 L CA 1.971 56.743 54.840 -0.113 0.000 0.745 392 L CB -0.780 41.248 42.059 -0.053 0.000 0.892 392 L HN 0.222 nan 8.230 nan 0.000 0.431 393 Q N -0.762 118.799 119.800 -0.399 0.000 2.082 393 Q HA -0.278 4.063 4.340 0.001 0.000 0.211 393 Q C 2.261 178.157 176.000 -0.173 0.000 1.002 393 Q CA 2.597 58.176 55.803 -0.373 0.000 0.868 393 Q CB -0.265 28.155 28.738 -0.529 0.000 0.931 393 Q HN 0.601 nan 8.270 nan 0.000 0.414 394 S N 0.048 115.660 115.700 -0.147 0.000 2.428 394 S HA -0.002 4.469 4.470 0.001 0.000 0.230 394 S C 1.686 176.277 174.600 -0.015 0.000 1.014 394 S CA 0.509 58.662 58.200 -0.078 0.000 0.957 394 S CB 0.045 63.189 63.200 -0.093 0.000 0.784 394 S HN 0.282 nan 8.310 nan 0.000 0.499 395 L N 0.922 122.138 121.223 -0.011 0.000 2.478 395 L HA 0.021 4.361 4.340 0.001 0.000 0.223 395 L C 1.440 178.350 176.870 0.067 0.000 1.140 395 L CA 0.633 55.508 54.840 0.058 0.000 0.842 395 L CB -0.177 41.907 42.059 0.041 0.000 0.953 395 L HN 0.179 nan 8.230 nan 0.000 0.452 396 D N -0.075 120.340 120.400 0.026 0.000 2.305 396 D HA 0.035 4.676 4.640 0.001 0.000 0.206 396 D C 2.113 178.436 176.300 0.038 0.000 0.974 396 D CA 0.930 54.944 54.000 0.024 0.000 0.871 396 D CB 0.505 41.307 40.800 0.003 0.000 0.947 396 D HN 0.383 nan 8.370 nan 0.000 0.516 397 I N -0.221 120.382 120.570 0.055 0.000 2.703 397 I HA -0.086 4.085 4.170 0.001 0.000 0.259 397 I C 2.022 178.224 176.117 0.142 0.000 1.151 397 I CA 0.195 61.537 61.300 0.070 0.000 1.470 397 I CB -0.064 37.964 38.000 0.046 0.000 1.112 397 I HN -0.183 nan 8.210 nan 0.000 0.437 398 F N 1.921 121.858 119.950 -0.022 0.000 2.234 398 F HA -0.022 4.506 4.527 0.002 0.000 0.299 398 F C 1.671 177.464 175.800 -0.012 0.000 1.087 398 F CA 1.214 59.203 58.000 -0.017 0.000 1.340 398 F CB -0.135 38.854 39.000 -0.019 0.000 1.031 398 F HN -0.052 nan 8.300 nan 0.000 0.500 399 L N -0.001 121.206 121.223 -0.026 0.000 2.672 399 L HA 0.321 4.662 4.340 0.001 0.000 0.236 399 L C 0.565 177.400 176.870 -0.058 0.000 1.186 399 L CA 0.351 55.124 54.840 -0.112 0.000 0.977 399 L CB -1.086 40.934 42.059 -0.065 0.000 1.203 399 L HN 0.139 nan 8.230 nan 0.000 0.448 421 R N 0.629 121.139 120.500 0.018 0.000 2.193 421 R HA 0.044 4.385 4.340 0.001 0.000 0.213 421 R C 1.936 178.253 176.300 0.028 0.000 1.055 421 R CA 1.191 57.303 56.100 0.020 0.000 0.995 421 R CB 0.216 30.526 30.300 0.015 0.000 0.893 421 R HN -0.021 nan 8.270 nan 0.000 0.459 422 R N 0.658 121.177 120.500 0.032 0.000 2.093 422 R HA 0.089 4.429 4.340 0.001 0.000 0.224 422 R C 2.006 178.332 176.300 0.043 0.000 1.101 422 R CA 0.987 57.110 56.100 0.039 0.000 0.979 422 R CB -0.373 29.954 30.300 0.045 0.000 0.877 422 R HN 0.196 nan 8.270 nan 0.000 0.441 423 I N 0.584 121.179 120.570 0.042 0.000 2.163 423 I HA -0.350 3.821 4.170 0.001 0.000 0.243 423 I C 2.031 178.182 176.117 0.058 0.000 1.085 423 I CA 1.634 62.962 61.300 0.046 0.000 1.347 423 I CB -0.176 37.849 38.000 0.041 0.000 1.044 423 I HN 0.201 nan 8.210 nan 0.000 0.408 424 K N 0.316 120.747 120.400 0.053 0.000 2.057 424 K HA -0.203 4.118 4.320 0.001 0.000 0.206 424 K C 2.250 178.894 176.600 0.073 0.000 1.050 424 K CA 0.991 57.313 56.287 0.059 0.000 0.935 424 K CB -0.125 32.399 32.500 0.040 0.000 0.715 424 K HN 0.109 nan 8.250 nan 0.000 0.439 425 K N 1.283 121.720 120.400 0.062 0.000 2.097 425 K HA -0.084 4.236 4.320 0.001 0.000 0.205 425 K C 1.882 178.544 176.600 0.105 0.000 1.050 425 K CA 1.077 57.409 56.287 0.075 0.000 0.938 425 K CB -0.072 32.458 32.500 0.050 0.000 0.718 425 K HN -0.034 nan 8.250 nan 0.000 0.442 426 V N 1.028 120.992 119.914 0.083 0.000 2.407 426 V HA -0.165 3.955 4.120 0.001 0.000 0.245 426 V C 2.192 178.346 176.094 0.100 0.000 1.041 426 V CA 1.894 64.241 62.300 0.077 0.000 1.040 426 V CB -0.354 31.500 31.823 0.051 0.000 0.671 426 V HN 0.412 nan 8.190 nan 0.000 0.455 427 T N -0.886 113.737 114.554 0.114 0.000 2.592 427 T HA -0.340 4.010 4.350 0.001 0.000 0.267 427 T C 1.844 176.632 174.700 0.145 0.000 1.060 427 T CA 2.290 64.472 62.100 0.136 0.000 1.167 427 T CB -0.535 68.410 68.868 0.127 0.000 0.863 427 T HN 0.627 nan 8.240 nan 0.000 0.431 428 H N 0.876 119.978 119.070 0.054 0.000 2.352 428 H HA -0.118 4.439 4.556 0.001 0.000 0.299 428 H C 1.900 177.249 175.328 0.035 0.000 1.097 428 H CA 1.761 57.828 56.048 0.033 0.000 1.311 428 H CB -0.140 29.630 29.762 0.012 0.000 1.377 428 H HN 0.335 nan 8.280 nan 0.000 0.504 429 D N 0.412 120.827 120.400 0.025 0.000 2.144 429 D HA -0.157 4.484 4.640 0.001 0.000 0.200 429 D C 2.396 178.689 176.300 -0.011 0.000 0.978 429 D CA 0.759 54.742 54.000 -0.029 0.000 0.833 429 D CB -0.180 40.638 40.800 0.031 0.000 0.961 429 D HN 0.456 nan 8.370 nan 0.000 0.470 430 M N 0.858 120.494 119.600 0.059 0.000 2.067 430 M HA -0.180 4.301 4.480 0.001 0.000 0.260 430 M C 1.241 177.662 176.300 0.202 0.000 1.069 430 M CA 1.627 57.006 55.300 0.132 0.000 1.117 430 M CB 0.063 32.783 32.600 0.200 0.000 1.334 430 M HN -0.231 nan 8.290 nan 0.000 0.407 431 D N 0.350 120.840 120.400 0.150 0.000 2.149 431 D HA -0.170 4.471 4.640 0.001 0.000 0.198 431 D C 1.932 178.293 176.300 0.101 0.000 0.990 431 D CA 1.290 55.382 54.000 0.153 0.000 0.839 431 D CB -0.252 40.572 40.800 0.041 0.000 0.948 431 D HN 0.350 nan 8.370 nan 0.000 0.460 432 M N 0.136 119.679 119.600 -0.096 0.000 2.279 432 M HA -0.103 4.378 4.480 0.001 0.000 0.264 432 M C 2.160 178.422 176.300 -0.063 0.000 1.062 432 M CA 0.517 55.723 55.300 -0.156 0.000 1.099 432 M CB -1.165 31.245 32.600 -0.317 0.000 1.394 432 M HN 0.145 nan 8.290 nan 0.000 0.426 433 C N -0.784 118.490 119.300 -0.044 0.000 2.419 433 C HA -0.164 4.297 4.460 0.001 0.000 0.281 433 C C 2.508 177.405 174.990 -0.156 0.000 1.336 433 C CA 0.435 59.371 59.018 -0.137 0.000 1.770 433 C CB -1.500 26.091 27.740 -0.249 0.000 1.929 433 C HN 0.462 nan 8.230 nan 0.000 0.509 434 Y N 0.918 121.210 120.300 -0.014 0.000 2.448 434 Y HA 0.358 4.908 4.550 0.000 0.000 0.289 434 Y C 1.610 177.496 175.900 -0.023 0.000 1.114 434 Y CA 1.082 59.184 58.100 0.004 0.000 1.235 434 Y CB -0.145 38.323 38.460 0.012 0.000 1.045 434 Y HN 0.417 nan 8.280 nan 0.000 0.554 435 G N -1.851 107.006 108.800 0.096 0.000 2.368 435 G HA2 -0.034 3.927 3.960 0.001 0.000 0.302 435 G HA3 -0.034 3.927 3.960 0.001 0.000 0.302 435 G C -0.013 174.860 174.900 -0.046 0.000 1.329 435 G CA -0.556 44.549 45.100 0.008 0.000 0.935 435 G HN -0.201 nan 8.290 nan 0.000 0.590 436 M N 0.083 119.635 119.600 -0.081 0.000 2.296 436 M HA 0.113 4.593 4.480 0.001 0.000 0.265 436 M C 2.092 178.342 176.300 -0.084 0.000 1.064 436 M CA 1.309 56.541 55.300 -0.115 0.000 1.109 436 M CB -0.582 32.035 32.600 0.028 0.000 1.396 436 M HN 0.475 nan 8.290 nan 0.000 0.430 437 M N -0.423 119.111 119.600 -0.110 0.000 2.383 437 M HA 0.269 4.750 4.480 0.001 0.000 0.247 437 M C 0.805 177.068 176.300 -0.061 0.000 1.117 437 M CA 0.200 55.461 55.300 -0.066 0.000 0.995 437 M CB -0.407 32.065 32.600 -0.215 0.000 1.480 437 M HN 0.354 nan 8.290 nan 0.000 0.485 438 G N 1.033 109.807 108.800 -0.042 0.000 2.741 438 G HA2 -0.205 3.756 3.960 0.001 0.000 0.222 438 G HA3 -0.205 3.756 3.960 0.001 0.000 0.222 438 G C -0.246 174.549 174.900 -0.174 0.000 1.364 438 G CA -0.145 44.928 45.100 -0.045 0.000 0.866 438 G HN 0.402 nan 8.290 nan 0.000 0.555 439 S N -1.099 114.300 115.700 -0.502 0.000 2.563 439 S HA 0.214 4.685 4.470 0.001 0.000 0.284 439 S C 1.811 176.133 174.600 -0.464 0.000 1.331 439 S CA 0.497 58.248 58.200 -0.749 0.000 1.047 439 S CB 0.776 63.363 63.200 -1.021 0.000 0.859 439 S HN 1.889 nan 8.310 nan 0.000 0.514 440 L N 4.749 125.627 121.223 -0.575 0.000 2.189 440 L HA 0.024 4.365 4.340 0.001 0.000 0.214 440 L C 1.107 177.542 176.870 -0.727 0.000 1.097 440 L CA 2.025 56.381 54.840 -0.807 0.000 0.764 440 L CB -0.547 40.769 42.059 -1.239 0.000 0.900 440 L HN 0.792 nan 8.230 nan 0.000 0.436 441 F N 0.001 119.808 119.950 -0.239 0.000 2.731 441 F HA 0.286 4.815 4.527 0.003 0.000 0.298 441 F C 1.031 176.729 175.800 -0.169 0.000 1.106 441 F CA -0.171 57.718 58.000 -0.184 0.000 1.329 441 F CB 0.003 38.843 39.000 -0.266 0.000 1.100 441 F HN 0.089 nan 8.300 nan 0.000 0.592 442 R N -1.740 118.738 120.500 -0.037 0.000 2.765 442 R HA 0.477 4.818 4.340 0.001 0.000 0.277 442 R C -1.361 174.916 176.300 -0.038 0.000 1.028 442 R CA -0.856 55.235 56.100 -0.015 0.000 0.860 442 R CB 1.086 31.395 30.300 0.015 0.000 1.270 442 R HN -0.188 nan 8.270 nan 0.000 0.484 443 S N 0.618 116.332 115.700 0.023 0.000 2.733 443 S HA 0.574 5.044 4.470 0.001 0.000 0.307 443 S C 0.690 175.352 174.600 0.104 0.000 1.127 443 S CA 0.627 58.855 58.200 0.047 0.000 1.097 443 S CB 0.649 63.874 63.200 0.042 0.000 1.003 443 S HN 1.316 nan 8.310 nan 0.000 0.477 444 G N 4.339 113.225 108.800 0.144 0.000 2.629 444 G HA2 -0.366 3.595 3.960 0.001 0.000 0.313 444 G HA3 -0.366 3.595 3.960 0.001 0.000 0.313 444 G C 1.120 176.184 174.900 0.274 0.000 1.217 444 G CA 0.959 46.186 45.100 0.212 0.000 0.994 444 G HN 1.873 nan 8.290 nan 0.000 0.549 445 S N 0.794 116.641 115.700 0.244 0.000 2.593 445 S HA 0.286 4.756 4.470 0.001 0.000 0.217 445 S C 0.933 175.640 174.600 0.177 0.000 0.966 445 S CA 0.714 59.073 58.200 0.264 0.000 0.914 445 S CB 0.069 63.385 63.200 0.192 0.000 0.776 445 S HN 0.730 nan 8.310 nan 0.000 0.523 446 R N 1.811 122.393 120.500 0.136 0.000 2.229 446 R HA 0.367 4.708 4.340 0.001 0.000 0.328 446 R C -0.464 175.885 176.300 0.082 0.000 1.009 446 R CA -0.289 55.872 56.100 0.103 0.000 0.864 446 R CB 0.832 31.185 30.300 0.088 0.000 1.085 446 R HN 0.440 nan 8.270 nan 0.000 0.453 447 Q N 1.592 121.435 119.800 0.072 0.000 2.293 447 Q HA 0.111 4.452 4.340 0.001 0.000 0.251 447 Q C 0.400 176.421 176.000 0.035 0.000 0.930 447 Q CA -0.061 55.769 55.803 0.045 0.000 0.893 447 Q CB 1.371 30.126 28.738 0.028 0.000 1.215 447 Q HN 0.591 nan 8.270 nan 0.000 0.425 448 T N -1.197 113.375 114.554 0.030 0.000 2.816 448 T HA 0.114 4.465 4.350 0.001 0.000 0.282 448 T C 1.036 175.741 174.700 0.009 0.000 0.993 448 T CA -0.781 61.329 62.100 0.017 0.000 0.994 448 T CB 0.586 69.461 68.868 0.011 0.000 1.025 448 T HN 0.539 nan 8.240 nan 0.000 0.529 449 L N 0.343 121.562 121.223 -0.006 0.000 2.042 449 L HA 0.051 4.392 4.340 0.001 0.000 0.210 449 L C 2.168 179.037 176.870 -0.001 0.000 1.076 449 L CA 1.696 56.517 54.840 -0.032 0.000 0.749 449 L CB -1.257 40.778 42.059 -0.039 0.000 0.893 449 L HN 0.784 nan 8.230 nan 0.000 0.432 450 F N 0.390 120.285 119.950 -0.092 0.000 2.043 450 F HA -0.287 4.240 4.527 0.001 0.000 0.297 450 F C 2.388 178.149 175.800 -0.064 0.000 1.121 450 F CA 2.182 60.125 58.000 -0.094 0.000 1.199 450 F CB -0.767 38.132 39.000 -0.169 0.000 0.968 450 F HN 0.194 nan 8.300 nan 0.000 0.478 451 A N -0.053 122.845 122.820 0.130 0.000 1.873 451 A HA -0.312 4.009 4.320 0.001 0.000 0.218 451 A C 2.363 179.874 177.584 -0.122 0.000 1.193 451 A CA 2.875 54.958 52.037 0.078 0.000 0.629 451 A CB -1.642 17.439 19.000 0.134 0.000 0.826 451 A HN 0.583 nan 8.150 nan 0.000 0.447 452 S N -0.670 114.966 115.700 -0.107 0.000 2.399 452 S HA -0.241 4.230 4.470 0.001 0.000 0.231 452 S C 1.898 176.384 174.600 -0.189 0.000 1.022 452 S CA 1.548 59.661 58.200 -0.145 0.000 0.983 452 S CB -0.501 62.616 63.200 -0.138 0.000 0.803 452 S HN 0.698 nan 8.310 nan 0.000 0.480 453 Q N 0.451 120.138 119.800 -0.188 0.000 2.187 453 Q HA 0.072 4.413 4.340 0.001 0.000 0.199 453 Q C 2.332 178.213 176.000 -0.198 0.000 0.957 453 Q CA 1.129 56.857 55.803 -0.124 0.000 0.857 453 Q CB -0.340 28.373 28.738 -0.041 0.000 0.929 453 Q HN 0.495 nan 8.270 nan 0.000 0.453 454 V N 1.165 120.844 119.914 -0.392 0.000 2.233 454 V HA -0.338 3.782 4.120 0.001 0.000 0.247 454 V C 2.224 178.137 176.094 -0.301 0.000 1.050 454 V CA 2.019 64.070 62.300 -0.416 0.000 1.010 454 V CB -0.576 30.899 31.823 -0.579 0.000 0.637 454 V HN 0.423 nan 8.190 nan 0.000 0.444 455 M N -0.738 118.691 119.600 -0.284 0.000 2.106 455 M HA -0.251 4.230 4.480 0.001 0.000 0.259 455 M C 2.458 178.630 176.300 -0.213 0.000 1.068 455 M CA 2.077 57.253 55.300 -0.207 0.000 1.100 455 M CB -0.533 31.962 32.600 -0.177 0.000 1.351 455 M HN 0.181 nan 8.290 nan 0.000 0.404 456 R N -0.731 119.578 120.500 -0.318 0.000 2.090 456 R HA -0.127 4.214 4.340 0.001 0.000 0.228 456 R C 1.197 177.157 176.300 -0.566 0.000 1.110 456 R CA 1.514 57.293 56.100 -0.536 0.000 0.973 456 R CB 0.188 29.962 30.300 -0.877 0.000 0.869 456 R HN 0.373 nan 8.270 nan 0.000 0.440 457 Y N -1.813 118.428 120.300 -0.099 0.000 2.430 457 Y HA 0.428 4.980 4.550 0.002 0.000 0.254 457 Y C 0.212 176.074 175.900 -0.063 0.000 1.088 457 Y CA -0.288 57.763 58.100 -0.081 0.000 1.267 457 Y CB 0.574 38.973 38.460 -0.102 0.000 1.204 457 Y HN -0.033 nan 8.280 nan 0.000 0.515 458 A N 0.910 123.753 122.820 0.038 0.000 2.310 458 A HA 0.244 4.565 4.320 0.001 0.000 0.300 458 A C 0.447 178.044 177.584 0.021 0.000 1.269 458 A CA -0.365 51.687 52.037 0.024 0.000 0.909 458 A CB 0.033 19.017 19.000 -0.027 0.000 1.144 458 A HN 0.225 nan 8.150 nan 0.000 0.540 459 D N 1.761 122.183 120.400 0.037 0.000 2.097 459 D HA -0.024 4.616 4.640 0.001 0.000 0.195 459 D C 0.525 176.806 176.300 -0.031 0.000 0.989 459 D CA 1.559 55.573 54.000 0.022 0.000 0.827 459 D CB 0.026 40.855 40.800 0.049 0.000 0.966 459 D HN 0.562 nan 8.370 nan 0.000 0.456 460 L N -0.828 120.334 121.223 -0.102 0.000 2.333 460 L HA 0.476 4.816 4.340 0.001 0.000 0.263 460 L C -1.014 175.604 176.870 -0.420 0.000 1.014 460 L CA -1.295 53.347 54.840 -0.329 0.000 0.820 460 L CB 2.181 43.938 42.059 -0.503 0.000 1.352 460 L HN 0.014 nan 8.230 nan 0.000 0.421 461 Y N 0.231 120.129 120.300 -0.669 0.000 2.581 461 Y HA 0.908 5.458 4.550 0.001 0.000 0.337 461 Y C -1.196 174.443 175.900 -0.436 0.000 1.108 461 Y CA -0.930 56.790 58.100 -0.633 0.000 1.033 461 Y CB 1.594 39.899 38.460 -0.260 0.000 1.318 461 Y HN 0.731 nan 8.280 nan 0.000 0.459 462 A N 1.112 123.839 122.820 -0.154 0.000 2.599 462 A HA 0.777 5.098 4.320 0.001 0.000 0.290 462 A C 0.105 177.843 177.584 0.257 0.000 1.101 462 A CA -0.607 51.468 52.037 0.063 0.000 0.674 462 A CB 0.797 19.876 19.000 0.133 0.000 1.277 462 A HN 1.691 nan 8.150 nan 0.000 0.419 463 A N -0.211 122.767 122.820 0.264 0.000 2.014 463 A HA 0.457 4.777 4.320 0.001 0.000 0.218 463 A C 1.159 178.887 177.584 0.241 0.000 1.163 463 A CA 1.926 54.116 52.037 0.256 0.000 0.652 463 A CB -0.300 18.858 19.000 0.264 0.000 0.808 463 A HN 1.968 nan 8.150 nan 0.000 0.449 464 S N -2.329 113.516 115.700 0.241 0.000 2.541 464 S HA 0.456 4.927 4.470 0.001 0.000 0.271 464 S C 0.474 175.174 174.600 0.167 0.000 1.133 464 S CA -0.189 58.099 58.200 0.146 0.000 0.876 464 S CB 0.612 63.798 63.200 -0.023 0.000 1.105 464 S HN 0.780 nan 8.310 nan 0.000 0.470 465 F N 2.943 123.001 119.950 0.180 0.000 2.333 465 F HA 0.139 4.667 4.527 0.001 0.000 0.300 465 F C 1.368 177.113 175.800 -0.091 0.000 1.083 465 F CA 0.800 58.742 58.000 -0.097 0.000 1.395 465 F CB -0.491 38.464 39.000 -0.074 0.000 1.056 465 F HN 0.496 nan 8.300 nan 0.000 0.529 466 I N 1.706 121.793 120.570 -0.805 0.000 2.830 466 I HA -0.164 4.007 4.170 0.001 0.000 0.263 466 I C 1.440 177.334 176.117 -0.371 0.000 1.230 466 I CA 0.908 61.842 61.300 -0.611 0.000 1.480 466 I CB -0.919 36.697 38.000 -0.641 0.000 1.095 466 I HN 0.104 nan 8.210 nan 0.000 0.455 467 N N 0.065 118.701 118.700 -0.107 0.000 2.453 467 N HA -0.080 4.661 4.740 0.001 0.000 0.183 467 N C 1.782 177.351 175.510 0.098 0.000 1.041 467 N CA 0.913 54.020 53.050 0.094 0.000 0.900 467 N CB -0.324 38.330 38.487 0.278 0.000 0.961 467 N HN 0.369 nan 8.380 nan 0.000 0.443 468 L N -0.005 121.218 121.223 0.001 0.000 2.191 468 L HA -0.116 4.225 4.340 0.001 0.000 0.212 468 L C 2.031 178.821 176.870 -0.134 0.000 1.103 468 L CA 0.350 55.191 54.840 0.000 0.000 0.769 468 L CB -0.345 41.657 42.059 -0.095 0.000 0.908 468 L HN 0.135 nan 8.230 nan 0.000 0.438 469 L N -0.767 120.231 121.223 -0.375 0.000 2.129 469 L HA -0.244 4.097 4.340 0.001 0.000 0.212 469 L C 1.688 178.334 176.870 -0.373 0.000 1.087 469 L CA 1.863 56.409 54.840 -0.489 0.000 0.757 469 L CB -0.513 41.105 42.059 -0.735 0.000 0.896 469 L HN 0.209 nan 8.230 nan 0.000 0.434 470 Y N -2.123 118.157 120.300 -0.034 0.000 2.470 470 Y HA 0.258 4.809 4.550 0.001 0.000 0.284 470 Y C -0.413 175.236 175.900 -0.419 0.000 1.188 470 Y CA -0.949 57.037 58.100 -0.190 0.000 1.269 470 Y CB -0.826 37.542 38.460 -0.153 0.000 1.094 470 Y HN 0.044 nan 8.280 nan 0.000 0.518 471 Y N 0.960 121.145 120.300 -0.192 0.000 2.425 471 Y HA 0.477 5.027 4.550 0.000 0.000 0.344 471 Y C -2.214 173.486 175.900 -0.332 0.000 0.969 471 Y CA -3.136 54.763 58.100 -0.335 0.000 1.052 471 Y CB 1.603 39.811 38.460 -0.421 0.000 1.215 471 Y HN -0.147 nan 8.280 nan 0.000 0.451 472 P HA 0.085 nan 4.420 nan 0.000 0.272 472 P C 0.138 177.414 177.300 -0.040 0.000 1.230 472 P CA -0.114 62.943 63.100 -0.072 0.000 0.788 472 P CB 0.863 32.590 31.700 0.044 0.000 0.949 473 F N -0.345 119.681 119.950 0.127 0.000 2.604 473 F HA -0.051 4.477 4.527 0.002 0.000 0.298 473 F C 2.433 178.334 175.800 0.168 0.000 1.131 473 F CA 1.154 59.255 58.000 0.169 0.000 1.457 473 F CB -0.574 38.522 39.000 0.161 0.000 1.095 473 F HN 0.215 nan 8.300 nan 0.000 0.574 474 S N -1.579 114.280 115.700 0.265 0.000 2.562 474 S HA -0.055 4.416 4.470 0.001 0.000 0.221 474 S C 0.368 175.035 174.600 0.112 0.000 0.975 474 S CA -0.276 58.026 58.200 0.170 0.000 0.918 474 S CB -0.545 62.724 63.200 0.115 0.000 0.772 474 S HN 0.279 nan 8.310 nan 0.000 0.531 475 Y N 1.895 122.174 120.300 -0.035 0.000 2.712 475 Y HA 0.182 4.732 4.550 0.000 0.000 0.333 475 Y C -0.210 175.550 175.900 -0.234 0.000 1.225 475 Y CA -0.252 57.733 58.100 -0.192 0.000 1.499 475 Y CB 0.338 38.583 38.460 -0.358 0.000 1.288 475 Y HN 0.066 nan 8.280 nan 0.000 0.575 476 L N 7.916 128.675 121.223 -0.773 0.000 2.277 476 L HA 0.408 4.749 4.340 0.001 0.000 0.284 476 L C -1.572 174.963 176.870 -0.557 0.000 1.028 476 L CA -0.476 54.093 54.840 -0.451 0.000 0.835 476 L CB -0.555 41.348 42.059 -0.259 0.000 1.215 476 L HN 0.414 nan 8.230 nan 0.000 0.425 477 F N 4.679 124.628 119.950 -0.001 0.000 2.506 477 F HA 0.370 4.897 4.527 0.000 0.000 0.371 477 F C 0.849 176.654 175.800 0.007 0.000 1.078 477 F CA 0.192 58.248 58.000 0.093 0.000 1.195 477 F CB 0.296 39.358 39.000 0.104 0.000 1.099 477 F HN 0.378 nan 8.300 nan 0.000 0.548 478 R N 2.194 122.786 120.500 0.153 0.000 2.494 478 R HA 0.803 5.144 4.340 0.001 0.000 0.305 478 R C -0.853 175.492 176.300 0.076 0.000 0.959 478 R CA -0.840 55.300 56.100 0.066 0.000 0.864 478 R CB 1.784 32.077 30.300 -0.013 0.000 1.159 478 R HN 0.704 nan 8.270 nan 0.000 0.446 479 A N 1.803 124.656 122.820 0.056 0.000 2.374 479 A HA 0.773 5.093 4.320 0.001 0.000 0.317 479 A C -0.534 177.050 177.584 0.000 0.000 1.094 479 A CA -0.733 51.328 52.037 0.041 0.000 0.765 479 A CB 1.516 20.550 19.000 0.057 0.000 1.268 479 A HN 0.785 nan 8.150 nan 0.000 0.438 480 A N 1.540 124.350 122.820 -0.016 0.000 2.483 480 A HA 0.477 4.798 4.320 0.001 0.000 0.238 480 A C 0.167 177.762 177.584 0.019 0.000 1.070 480 A CA -0.180 51.820 52.037 -0.061 0.000 0.770 480 A CB -0.291 18.689 19.000 -0.033 0.000 1.008 480 A HN 0.841 nan 8.150 nan 0.000 0.497 481 H N 0.316 119.388 119.070 0.004 0.000 2.790 481 H HA 0.230 4.787 4.556 0.002 0.000 0.358 481 H C 0.132 175.456 175.328 -0.006 0.000 1.103 481 H CA -0.147 55.900 56.048 -0.001 0.000 1.426 481 H CB 0.479 30.239 29.762 -0.004 0.000 1.424 481 H HN 0.298 nan 8.280 nan 0.000 0.599 482 V N 4.742 124.730 119.914 0.123 0.000 2.509 482 V HA 0.196 4.317 4.120 0.001 0.000 0.284 482 V C 0.453 176.561 176.094 0.023 0.000 1.047 482 V CA -0.430 61.900 62.300 0.050 0.000 0.952 482 V CB 0.949 32.786 31.823 0.024 0.000 0.988 482 V HN 0.408 nan 8.190 nan 0.000 0.469 483 L N 5.112 126.336 121.223 0.002 0.000 2.365 483 L HA 0.565 4.906 4.340 0.001 0.000 0.273 483 L C 0.019 176.853 176.870 -0.059 0.000 1.000 483 L CA -0.498 54.318 54.840 -0.039 0.000 0.819 483 L CB 1.960 43.996 42.059 -0.039 0.000 1.284 483 L HN 0.518 nan 8.230 nan 0.000 0.418 484 M N 2.532 122.066 119.600 -0.110 0.000 2.232 484 M HA 0.128 4.608 4.480 0.001 0.000 0.321 484 M C -1.390 174.843 176.300 -0.111 0.000 1.101 484 M CA -1.220 54.021 55.300 -0.099 0.000 1.181 484 M CB 0.550 33.079 32.600 -0.118 0.000 1.432 484 M HN 0.326 nan 8.290 nan 0.000 0.457 485 P HA -0.228 nan 4.420 nan 0.000 0.216 485 P C 1.182 178.481 177.300 -0.001 0.000 1.153 485 P CA 1.499 64.598 63.100 -0.001 0.000 0.858 485 P CB -0.356 31.369 31.700 0.040 0.000 0.789 486 H N -0.640 118.434 119.070 0.007 0.000 2.521 486 H HA 0.052 4.609 4.556 0.002 0.000 0.286 486 H C 1.248 176.580 175.328 0.008 0.000 1.034 486 H CA 1.047 57.098 56.048 0.006 0.000 1.278 486 H CB -0.338 29.427 29.762 0.004 0.000 1.386 486 H HN 0.230 nan 8.280 nan 0.000 0.567 487 E N 1.214 121.112 120.200 -0.502 0.000 2.190 487 E HA 0.032 4.383 4.350 0.001 0.000 0.191 487 E C 0.707 177.231 176.600 -0.126 0.000 0.978 487 E CA 0.363 56.558 56.400 -0.342 0.000 0.839 487 E CB 0.461 29.930 29.700 -0.384 0.000 0.787 487 E HN 0.415 nan 8.360 nan 0.000 0.473 488 S N 0.000 115.645 115.700 -0.092 0.000 2.498 488 S HA 0.000 4.471 4.470 0.001 0.000 0.327 488 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 488 S CB 0.000 63.185 63.200 -0.024 0.000 0.593 488 S HN 0.000 nan 8.310 nan 0.000 0.517