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 2ono_1_H DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGQE LGEYGLQAYT EVKTVTVKVP QKNS 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.583 177.584 -0.001 0.000 1.274 7 A CA 0.000 52.055 52.037 0.030 0.000 0.836 7 A CB 0.000 19.015 19.000 0.025 0.000 0.831 8 V N 2.833 122.732 119.914 -0.025 0.000 2.584 8 V HA 0.153 4.272 4.120 -0.001 0.000 0.303 8 V C -1.603 174.401 176.094 -0.150 0.000 1.035 8 V CA -0.203 61.992 62.300 -0.175 0.000 1.172 8 V CB -0.315 31.447 31.823 -0.102 0.000 0.896 8 V HN 0.764 nan 8.190 nan 0.000 0.486 9 P HA 0.292 nan 4.420 nan 0.000 0.271 9 P C -0.166 177.131 177.300 -0.004 0.000 1.218 9 P CA -0.234 62.793 63.100 -0.122 0.000 0.780 9 P CB 0.460 32.074 31.700 -0.143 0.000 0.901 10 A N 4.379 127.192 122.820 -0.012 0.000 2.566 10 A HA 0.242 4.561 4.320 -0.001 0.000 0.245 10 A C -1.768 175.744 177.584 -0.120 0.000 1.056 10 A CA -0.460 51.548 52.037 -0.048 0.000 0.757 10 A CB -1.253 17.717 19.000 -0.050 0.000 0.979 10 A HN 0.414 nan 8.150 nan 0.000 0.508 11 P HA 0.189 nan 4.420 nan 0.000 0.284 11 P C -0.808 176.260 177.300 -0.386 0.000 1.258 11 P CA -0.784 61.944 63.100 -0.619 0.000 0.824 11 P CB 0.815 31.694 31.700 -1.368 0.000 1.038 12 N N 1.569 120.102 118.700 -0.278 0.000 2.469 12 N HA 0.045 4.784 4.740 -0.001 0.000 0.239 12 N C 0.966 176.185 175.510 -0.485 0.000 1.053 12 N CA 0.084 52.983 53.050 -0.253 0.000 0.937 12 N CB 0.215 38.661 38.487 -0.067 0.000 1.163 12 N HN 0.246 nan 8.380 nan 0.000 0.509 13 Q N 1.188 120.548 119.800 -0.733 0.000 2.439 13 Q HA -0.043 4.297 4.340 -0.001 0.000 0.211 13 Q C -0.237 175.383 176.000 -0.633 0.000 0.978 13 Q CA 0.978 56.034 55.803 -1.245 0.000 0.897 13 Q CB 0.338 28.536 28.738 -0.900 0.000 0.956 13 Q HN 0.607 nan 8.270 nan 0.000 0.483 14 Q N 0.744 120.342 119.800 -0.337 0.000 3.075 14 Q HA 0.263 4.602 4.340 -0.001 0.000 0.318 14 Q C -2.447 173.493 176.000 -0.100 0.000 0.907 14 Q CA -1.329 54.369 55.803 -0.175 0.000 0.882 14 Q CB 1.490 30.143 28.738 -0.140 0.000 1.386 14 Q HN 0.195 nan 8.270 nan 0.000 0.408 15 P HA 0.046 nan 4.420 nan 0.000 0.271 15 P C -0.151 177.151 177.300 0.002 0.000 1.216 15 P CA -0.040 63.088 63.100 0.047 0.000 0.776 15 P CB 1.236 32.974 31.700 0.063 0.000 0.881 16 E N 1.735 121.920 120.200 -0.025 0.000 2.354 16 E HA 0.212 4.561 4.350 -0.001 0.000 0.269 16 E C -0.800 175.516 176.600 -0.473 0.000 1.036 16 E CA -0.671 55.531 56.400 -0.330 0.000 0.876 16 E CB 0.760 30.126 29.700 -0.556 0.000 1.009 16 E HN 0.143 nan 8.360 nan 0.000 0.416 17 V N 5.961 125.609 119.914 -0.444 0.000 2.432 17 V HA 0.103 4.222 4.120 -0.001 0.000 0.275 17 V C 0.138 175.950 176.094 -0.470 0.000 1.043 17 V CA -0.048 62.075 62.300 -0.296 0.000 0.925 17 V CB 0.721 32.454 31.823 -0.150 0.000 0.985 17 V HN 0.703 nan 8.190 nan 0.000 0.466 18 F N 1.558 121.535 119.950 0.045 0.000 2.694 18 F HA 0.272 4.798 4.527 -0.001 0.000 0.292 18 F C 0.970 176.676 175.800 -0.157 0.000 1.121 18 F CA -0.096 57.898 58.000 -0.011 0.000 1.352 18 F CB 0.297 39.352 39.000 0.091 0.000 1.107 18 F HN 0.382 nan 8.300 nan 0.000 0.597 19 C N 1.711 120.999 119.300 -0.020 0.000 2.498 19 C HA 0.491 4.950 4.460 -0.001 0.000 0.316 19 C C 0.283 175.136 174.990 -0.228 0.000 1.209 19 C CA -0.816 57.964 59.018 -0.396 0.000 1.518 19 C CB 1.010 28.378 27.740 -0.619 0.000 2.147 19 C HN 0.552 nan 8.230 nan 0.000 0.483 20 N N 0.734 119.288 118.700 -0.242 0.000 2.330 20 N HA 0.043 4.782 4.740 -0.001 0.000 0.249 20 N C -0.596 174.891 175.510 -0.038 0.000 1.413 20 N CA -0.266 52.717 53.050 -0.112 0.000 0.817 20 N CB -0.089 38.319 38.487 -0.131 0.000 1.362 20 N HN 0.813 nan 8.380 nan 0.000 0.499 21 Q N 0.026 119.870 119.800 0.074 0.000 2.852 21 Q HA 0.593 4.932 4.340 -0.001 0.000 0.262 21 Q C -0.447 175.845 176.000 0.487 0.000 1.051 21 Q CA -0.942 55.019 55.803 0.264 0.000 0.894 21 Q CB 1.928 30.861 28.738 0.327 0.000 1.381 21 Q HN 0.140 nan 8.270 nan 0.000 0.501 22 I N 1.187 122.008 120.570 0.418 0.000 2.395 22 I HA 0.160 4.330 4.170 -0.001 0.000 0.289 22 I C -0.816 175.490 176.117 0.315 0.000 1.023 22 I CA -0.195 61.303 61.300 0.329 0.000 1.350 22 I CB 0.518 38.629 38.000 0.185 0.000 1.409 22 I HN 0.378 nan 8.210 nan 0.000 0.507 23 F N 8.180 128.108 119.950 -0.037 0.000 2.350 23 F HA 0.553 5.079 4.527 -0.001 0.000 0.365 23 F C -0.363 175.250 175.800 -0.312 0.000 1.122 23 F CA -0.322 57.444 58.000 -0.390 0.000 1.139 23 F CB 0.297 38.916 39.000 -0.635 0.000 1.220 23 F HN 0.174 nan 8.300 nan 0.000 0.499 24 I N 5.601 125.785 120.570 -0.644 0.000 2.569 24 I HA 0.194 4.363 4.170 -0.001 0.000 0.290 24 I C -0.361 175.443 176.117 -0.522 0.000 1.088 24 I CA -1.027 59.906 61.300 -0.612 0.000 1.047 24 I CB 1.792 39.264 38.000 -0.881 0.000 1.237 24 I HN 0.489 nan 8.210 nan 0.000 0.421 25 N N 5.051 123.513 118.700 -0.397 0.000 2.740 25 N HA -0.234 4.505 4.740 -0.001 0.000 0.248 25 N C 0.084 175.372 175.510 -0.371 0.000 1.062 25 N CA 1.115 54.003 53.050 -0.269 0.000 0.704 25 N CB -1.009 37.399 38.487 -0.132 0.000 0.968 25 N HN 0.923 nan 8.380 nan 0.000 0.547 26 N N -1.251 117.049 118.700 -0.667 0.000 2.714 26 N HA -0.238 4.501 4.740 -0.001 0.000 0.250 26 N C -0.837 174.208 175.510 -0.775 0.000 1.117 26 N CA 1.200 53.832 53.050 -0.698 0.000 0.719 26 N CB -0.325 38.075 38.487 -0.144 0.000 1.081 26 N HN 0.608 nan 8.380 nan 0.000 0.557 27 E N -0.911 118.712 120.200 -0.962 0.000 2.340 27 E HA 0.308 4.658 4.350 -0.001 0.000 0.273 27 E C -1.140 175.170 176.600 -0.484 0.000 0.891 27 E CA -0.656 55.428 56.400 -0.526 0.000 0.757 27 E CB 1.201 30.771 29.700 -0.216 0.000 1.231 27 E HN 0.130 nan 8.360 nan 0.000 0.439 28 W N 2.573 123.842 121.300 -0.052 0.000 2.331 28 W HA 0.266 4.925 4.660 -0.001 0.000 0.306 28 W C 0.350 176.875 176.519 0.011 0.000 1.162 28 W CA -0.283 57.114 57.345 0.087 0.000 1.232 28 W CB 0.660 30.191 29.460 0.119 0.000 1.235 28 W HN 0.281 nan 8.180 nan 0.000 0.479 29 H N 2.068 121.254 119.070 0.193 0.000 2.529 29 H HA 0.221 4.777 4.556 -0.001 0.000 0.348 29 H C -0.666 174.741 175.328 0.132 0.000 1.152 29 H CA -0.989 55.124 56.048 0.110 0.000 1.202 29 H CB 1.971 31.752 29.762 0.032 0.000 1.562 29 H HN 0.201 nan 8.280 nan 0.000 0.515 30 D N 0.812 121.326 120.400 0.190 0.000 2.225 30 D HA 0.268 4.908 4.640 -0.001 0.000 0.249 30 D C 0.126 176.506 176.300 0.133 0.000 1.052 30 D CA -0.427 53.655 54.000 0.136 0.000 0.909 30 D CB 1.590 42.441 40.800 0.084 0.000 1.186 30 D HN 0.615 nan 8.370 nan 0.000 0.431 31 A N 1.550 124.436 122.820 0.110 0.000 2.507 31 A HA 0.033 4.352 4.320 -0.001 0.000 0.235 31 A C 1.572 179.206 177.584 0.084 0.000 1.070 31 A CA -0.285 51.810 52.037 0.097 0.000 0.768 31 A CB 0.313 19.369 19.000 0.093 0.000 1.011 31 A HN 0.457 nan 8.150 nan 0.000 0.502 32 V N 2.182 122.141 119.914 0.074 0.000 2.490 32 V HA -0.228 3.891 4.120 -0.001 0.000 0.250 32 V C 2.716 178.845 176.094 0.058 0.000 1.061 32 V CA 2.629 64.968 62.300 0.064 0.000 1.064 32 V CB -0.899 30.958 31.823 0.055 0.000 0.670 32 V HN 1.137 nan 8.190 nan 0.000 0.461 33 S N -0.983 114.755 115.700 0.063 0.000 2.481 33 S HA -0.151 4.319 4.470 -0.001 0.000 0.231 33 S C 1.401 176.037 174.600 0.061 0.000 0.996 33 S CA 0.431 58.668 58.200 0.062 0.000 0.942 33 S CB -0.139 63.105 63.200 0.072 0.000 0.768 33 S HN 0.485 nan 8.310 nan 0.000 0.520 34 R N -0.256 120.282 120.500 0.062 0.000 3.922 34 R HA -0.093 4.247 4.340 -0.001 0.000 0.447 34 R C -0.619 175.718 176.300 0.061 0.000 1.035 34 R CA 1.262 57.396 56.100 0.056 0.000 1.289 34 R CB -2.225 28.103 30.300 0.045 0.000 1.906 34 R HN 0.586 nan 8.270 nan 0.000 0.540 35 K N 1.011 121.458 120.400 0.078 0.000 2.154 35 K HA 0.316 4.635 4.320 -0.001 0.000 0.264 35 K C 0.857 177.520 176.600 0.106 0.000 1.008 35 K CA 0.476 56.823 56.287 0.099 0.000 0.937 35 K CB 0.903 33.479 32.500 0.127 0.000 1.002 35 K HN 0.257 nan 8.250 nan 0.000 0.469 36 T N -1.294 113.327 114.554 0.112 0.000 2.907 36 T HA 0.723 5.072 4.350 -0.001 0.000 0.290 36 T C -0.806 174.018 174.700 0.206 0.000 1.066 36 T CA -0.998 61.147 62.100 0.075 0.000 1.012 36 T CB 0.729 69.581 68.868 -0.025 0.000 1.184 36 T HN 0.461 nan 8.240 nan 0.000 0.522 37 F N -1.277 118.702 119.950 0.049 0.000 2.599 37 F HA 0.852 5.378 4.527 -0.001 0.000 0.311 37 F C -3.108 172.737 175.800 0.075 0.000 1.076 37 F CA -2.918 55.149 58.000 0.112 0.000 0.937 37 F CB 1.361 40.483 39.000 0.203 0.000 1.282 37 F HN 0.404 nan 8.300 nan 0.000 0.460 38 P HA 0.186 nan 4.420 nan 0.000 0.284 38 P C -0.854 176.538 177.300 0.153 0.000 1.253 38 P CA -0.138 63.010 63.100 0.080 0.000 0.800 38 P CB 1.914 33.671 31.700 0.096 0.000 0.961 39 T N 1.766 116.350 114.554 0.050 0.000 2.794 39 T HA 0.419 4.768 4.350 -0.001 0.000 0.280 39 T C -0.588 174.138 174.700 0.044 0.000 0.987 39 T CA -0.517 61.635 62.100 0.087 0.000 0.993 39 T CB 0.363 69.262 68.868 0.052 0.000 0.939 39 T HN 0.069 nan 8.240 nan 0.000 0.449 40 V N 5.379 125.321 119.914 0.047 0.000 2.630 40 V HA 0.415 4.534 4.120 -0.001 0.000 0.305 40 V C 0.501 176.584 176.094 -0.017 0.000 1.046 40 V CA -1.114 61.194 62.300 0.013 0.000 0.934 40 V CB 1.736 33.578 31.823 0.032 0.000 1.003 40 V HN 0.958 nan 8.190 nan 0.000 0.451 41 N N 5.113 123.786 118.700 -0.045 0.000 2.405 41 N HA 0.176 4.915 4.740 -0.001 0.000 0.260 41 N C -1.621 173.801 175.510 -0.147 0.000 1.152 41 N CA -1.193 51.817 53.050 -0.066 0.000 0.948 41 N CB 1.167 39.628 38.487 -0.044 0.000 1.111 41 N HN 0.416 nan 8.380 nan 0.000 0.485 42 P HA -0.012 nan 4.420 nan 0.000 0.233 42 P C 0.359 177.381 177.300 -0.464 0.000 1.167 42 P CA 0.726 63.658 63.100 -0.281 0.000 0.770 42 P CB 0.447 32.045 31.700 -0.170 0.000 0.837 43 S N -0.710 114.835 115.700 -0.259 0.000 2.458 43 S HA -0.015 4.454 4.470 -0.001 0.000 0.223 43 S C 1.765 176.369 174.600 0.006 0.000 1.019 43 S CA 1.607 59.758 58.200 -0.083 0.000 0.937 43 S CB -0.395 62.887 63.200 0.136 0.000 0.788 43 S HN 0.407 nan 8.310 nan 0.000 0.511 44 T N -3.112 111.375 114.554 -0.112 0.000 2.964 44 T HA 0.465 4.815 4.350 -0.001 0.000 0.249 44 T C 1.542 176.121 174.700 -0.201 0.000 1.000 44 T CA 0.879 62.919 62.100 -0.100 0.000 0.992 44 T CB 0.429 69.266 68.868 -0.051 0.000 1.087 44 T HN 0.471 nan 8.240 nan 0.000 0.489 45 G N 1.415 110.036 108.800 -0.297 0.000 2.195 45 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.246 45 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.246 45 G C -0.073 174.746 174.900 -0.135 0.000 0.984 45 G CA 0.038 44.951 45.100 -0.311 0.000 0.633 45 G HN 0.586 nan 8.290 nan 0.000 0.525 46 E N 0.092 120.233 120.200 -0.099 0.000 2.374 46 E HA 0.441 4.791 4.350 -0.001 0.000 0.260 46 E C 0.602 177.180 176.600 -0.037 0.000 1.101 46 E CA -0.481 55.887 56.400 -0.055 0.000 0.907 46 E CB 1.500 31.173 29.700 -0.046 0.000 1.014 46 E HN 0.175 nan 8.360 nan 0.000 0.427 47 V N 3.806 123.707 119.914 -0.021 0.000 2.427 47 V HA 0.013 4.132 4.120 -0.001 0.000 0.268 47 V C 1.698 177.778 176.094 -0.023 0.000 1.046 47 V CA 0.164 62.458 62.300 -0.010 0.000 0.970 47 V CB 0.140 31.963 31.823 -0.001 0.000 1.001 47 V HN 0.581 nan 8.190 nan 0.000 0.476 48 I N 4.198 124.754 120.570 -0.023 0.000 2.163 48 I HA -0.069 4.100 4.170 -0.001 0.000 0.240 48 I C 1.116 177.203 176.117 -0.050 0.000 1.081 48 I CA 1.551 62.831 61.300 -0.035 0.000 1.353 48 I CB -0.013 37.969 38.000 -0.030 0.000 1.054 48 I HN 0.865 nan 8.210 nan 0.000 0.407 49 C N -2.358 116.908 119.300 -0.056 0.000 3.253 49 C HA 0.553 5.012 4.460 -0.001 0.000 0.362 49 C C -0.823 174.109 174.990 -0.097 0.000 1.487 49 C CA -1.141 57.831 59.018 -0.076 0.000 1.179 49 C CB 1.091 28.775 27.740 -0.093 0.000 1.660 49 C HN 0.191 nan 8.230 nan 0.000 0.438 50 Q N 0.279 120.011 119.800 -0.113 0.000 2.230 50 Q HA 0.796 5.135 4.340 -0.001 0.000 0.248 50 Q C -0.724 175.121 176.000 -0.259 0.000 0.915 50 Q CA -0.224 55.486 55.803 -0.156 0.000 0.900 50 Q CB 1.580 30.258 28.738 -0.101 0.000 1.229 50 Q HN 0.748 nan 8.270 nan 0.000 0.439 51 V N 1.677 121.305 119.914 -0.477 0.000 2.709 51 V HA 0.700 4.819 4.120 -0.001 0.000 0.308 51 V C -0.699 175.075 176.094 -0.533 0.000 1.062 51 V CA -1.260 60.675 62.300 -0.609 0.000 0.901 51 V CB 1.853 33.070 31.823 -1.010 0.000 1.003 51 V HN 0.921 nan 8.190 nan 0.000 0.425 52 A N 2.906 125.601 122.820 -0.208 0.000 2.520 52 A HA 0.258 4.577 4.320 -0.001 0.000 0.245 52 A C 0.360 177.997 177.584 0.089 0.000 1.072 52 A CA 0.226 52.246 52.037 -0.028 0.000 0.761 52 A CB 0.003 19.040 19.000 0.063 0.000 1.004 52 A HN 0.871 nan 8.150 nan 0.000 0.499 53 E N 3.217 123.532 120.200 0.192 0.000 2.028 53 E HA 0.362 4.711 4.350 -0.001 0.000 0.266 53 E C 0.487 177.150 176.600 0.105 0.000 0.962 53 E CA -0.341 56.219 56.400 0.266 0.000 0.784 53 E CB 0.439 30.293 29.700 0.257 0.000 1.114 53 E HN 0.790 nan 8.360 nan 0.000 0.414 54 G N 3.692 112.542 108.800 0.085 0.000 2.442 54 G HA2 0.031 3.991 3.960 -0.001 0.000 0.249 54 G HA3 0.031 3.991 3.960 -0.001 0.000 0.249 54 G C -0.237 174.678 174.900 0.026 0.000 1.263 54 G CA -0.236 44.898 45.100 0.056 0.000 0.846 54 G HN 0.606 nan 8.290 nan 0.000 0.555 55 D N 0.141 120.567 120.400 0.043 0.000 2.784 55 D HA 0.212 4.851 4.640 -0.001 0.000 0.256 55 D C 1.397 177.725 176.300 0.046 0.000 1.129 55 D CA -0.799 53.229 54.000 0.047 0.000 1.102 55 D CB 1.694 42.530 40.800 0.059 0.000 1.330 55 D HN 0.256 nan 8.370 nan 0.000 0.626 56 K N 0.342 120.771 120.400 0.048 0.000 2.044 56 K HA -0.191 4.128 4.320 -0.001 0.000 0.210 56 K C 1.756 178.389 176.600 0.055 0.000 1.049 56 K CA 1.752 58.069 56.287 0.050 0.000 0.927 56 K CB 0.046 32.568 32.500 0.037 0.000 0.713 56 K HN 0.295 nan 8.250 nan 0.000 0.443 57 E N 0.103 120.331 120.200 0.046 0.000 2.077 57 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 57 E C 1.662 178.286 176.600 0.039 0.000 0.989 57 E CA 1.437 57.863 56.400 0.045 0.000 0.800 57 E CB -0.009 29.716 29.700 0.041 0.000 0.746 57 E HN 0.415 nan 8.360 nan 0.000 0.452 58 D N 0.162 120.583 120.400 0.035 0.000 2.178 58 D HA -0.122 4.518 4.640 -0.001 0.000 0.201 58 D C 2.036 178.333 176.300 -0.005 0.000 0.980 58 D CA 0.761 54.770 54.000 0.016 0.000 0.842 58 D CB 0.085 40.903 40.800 0.030 0.000 0.948 58 D HN 0.085 nan 8.370 nan 0.000 0.472 59 V N 1.702 121.628 119.914 0.020 0.000 2.323 59 V HA -0.189 3.930 4.120 -0.001 0.000 0.244 59 V C 1.963 178.059 176.094 0.004 0.000 1.041 59 V CA 1.532 63.840 62.300 0.013 0.000 1.025 59 V CB -0.381 31.474 31.823 0.053 0.000 0.656 59 V HN -0.013 nan 8.190 nan 0.000 0.451 60 D N 0.206 120.651 120.400 0.075 0.000 2.133 60 D HA -0.196 4.443 4.640 -0.001 0.000 0.195 60 D C 2.213 178.518 176.300 0.008 0.000 0.997 60 D CA 1.369 55.439 54.000 0.116 0.000 0.840 60 D CB -0.207 40.687 40.800 0.156 0.000 0.947 60 D HN 0.382 nan 8.370 nan 0.000 0.452 61 K N 0.304 120.694 120.400 -0.016 0.000 2.032 61 K HA -0.121 4.198 4.320 -0.001 0.000 0.209 61 K C 2.107 178.639 176.600 -0.113 0.000 1.048 61 K CA 1.440 57.690 56.287 -0.062 0.000 0.927 61 K CB -0.167 32.282 32.500 -0.084 0.000 0.712 61 K HN 0.062 nan 8.250 nan 0.000 0.441 62 A N 0.488 123.233 122.820 -0.125 0.000 1.902 62 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 62 A C 2.297 179.796 177.584 -0.142 0.000 1.181 62 A CA 1.550 53.502 52.037 -0.142 0.000 0.623 62 A CB -0.562 18.370 19.000 -0.112 0.000 0.818 62 A HN 0.114 nan 8.150 nan 0.000 0.443 63 V N 0.161 119.970 119.914 -0.175 0.000 2.453 63 V HA -0.204 3.915 4.120 -0.001 0.000 0.247 63 V C 2.400 178.404 176.094 -0.151 0.000 1.048 63 V CA 2.051 64.208 62.300 -0.238 0.000 1.049 63 V CB -0.552 30.949 31.823 -0.537 0.000 0.672 63 V HN 0.508 nan 8.190 nan 0.000 0.457 64 K N 0.438 120.777 120.400 -0.102 0.000 2.057 64 K HA -0.100 4.220 4.320 -0.001 0.000 0.206 64 K C 2.312 178.891 176.600 -0.035 0.000 1.050 64 K CA 1.440 57.702 56.287 -0.042 0.000 0.935 64 K CB -0.392 32.099 32.500 -0.014 0.000 0.715 64 K HN 0.461 nan 8.250 nan 0.000 0.439 65 A N 1.726 124.508 122.820 -0.063 0.000 1.933 65 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 65 A C 2.399 179.957 177.584 -0.043 0.000 1.175 65 A CA 1.858 53.858 52.037 -0.062 0.000 0.628 65 A CB -0.559 18.374 19.000 -0.112 0.000 0.814 65 A HN 0.332 nan 8.150 nan 0.000 0.444 66 A N -0.206 122.578 122.820 -0.059 0.000 1.873 66 A HA -0.130 4.190 4.320 -0.001 0.000 0.215 66 A C 2.184 179.792 177.584 0.041 0.000 1.186 66 A CA 2.070 54.084 52.037 -0.039 0.000 0.616 66 A CB -0.444 18.504 19.000 -0.086 0.000 0.823 66 A HN 0.446 nan 8.150 nan 0.000 0.442 67 R N 0.268 120.785 120.500 0.028 0.000 2.096 67 R HA -0.024 4.315 4.340 -0.001 0.000 0.235 67 R C 2.042 178.439 176.300 0.162 0.000 1.127 67 R CA 1.972 58.135 56.100 0.105 0.000 0.968 67 R CB -0.849 29.485 30.300 0.057 0.000 0.861 67 R HN 0.396 nan 8.270 nan 0.000 0.440 68 A N -0.177 122.700 122.820 0.094 0.000 1.968 68 A HA 0.134 4.453 4.320 -0.001 0.000 0.217 68 A C 2.214 179.859 177.584 0.103 0.000 1.169 68 A CA 1.269 53.357 52.037 0.085 0.000 0.638 68 A CB -0.688 18.339 19.000 0.046 0.000 0.812 68 A HN 0.434 nan 8.150 nan 0.000 0.446 69 A N -2.014 120.872 122.820 0.111 0.000 2.119 69 A HA 0.127 4.446 4.320 -0.001 0.000 0.217 69 A C 1.605 179.337 177.584 0.246 0.000 1.153 69 A CA 1.011 53.129 52.037 0.134 0.000 0.692 69 A CB -0.529 18.509 19.000 0.063 0.000 0.799 69 A HN 0.583 nan 8.150 nan 0.000 0.458 70 F N 0.164 120.177 119.950 0.104 0.000 2.727 70 F HA 0.231 4.757 4.527 -0.001 0.000 0.302 70 F C 0.593 176.459 175.800 0.109 0.000 1.097 70 F CA -0.256 57.830 58.000 0.143 0.000 1.330 70 F CB 0.214 39.282 39.000 0.112 0.000 1.084 70 F HN 0.067 nan 8.300 nan 0.000 0.578 71 Q N 1.781 121.618 119.800 0.062 0.000 2.311 71 Q HA 0.068 4.408 4.340 -0.001 0.000 0.272 71 Q C -0.280 175.661 176.000 -0.098 0.000 1.012 71 Q CA -0.251 55.546 55.803 -0.009 0.000 0.891 71 Q CB 1.030 29.790 28.738 0.037 0.000 1.201 71 Q HN 0.260 nan 8.270 nan 0.000 0.391 72 L N 2.096 123.243 121.223 -0.127 0.000 2.628 72 L HA 0.075 4.414 4.340 -0.001 0.000 0.274 72 L C 1.204 178.039 176.870 -0.059 0.000 1.209 72 L CA 2.170 56.938 54.840 -0.118 0.000 0.930 72 L CB -0.088 41.921 42.059 -0.082 0.000 1.183 72 L HN 0.930 nan 8.230 nan 0.000 0.492 73 G N 1.925 110.693 108.800 -0.054 0.000 2.176 73 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.232 73 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.232 73 G C 0.313 175.211 174.900 -0.003 0.000 0.986 73 G CA 0.246 45.332 45.100 -0.023 0.000 0.643 73 G HN 1.105 nan 8.290 nan 0.000 0.522 74 S N 0.540 116.241 115.700 0.002 0.000 2.593 74 S HA 0.587 5.056 4.470 -0.001 0.000 0.269 74 S C -0.472 174.175 174.600 0.078 0.000 1.334 74 S CA -0.234 57.997 58.200 0.052 0.000 1.015 74 S CB 2.010 65.262 63.200 0.086 0.000 0.912 74 S HN -0.022 nan 8.310 nan 0.000 0.541 75 P HA -0.153 nan 4.420 nan 0.000 0.216 75 P C 1.234 178.660 177.300 0.210 0.000 1.157 75 P CA 1.482 64.664 63.100 0.136 0.000 0.880 75 P CB -0.142 31.653 31.700 0.158 0.000 0.791 76 W N -0.185 121.143 121.300 0.047 0.000 2.402 76 W HA -0.126 4.534 4.660 -0.001 0.000 0.286 76 W C 1.702 178.247 176.519 0.043 0.000 1.221 76 W CA 0.637 58.026 57.345 0.074 0.000 1.257 76 W CB -0.031 29.499 29.460 0.118 0.000 1.120 76 W HN -0.130 nan 8.180 nan 0.000 0.551 77 R N 0.163 120.679 120.500 0.027 0.000 2.127 77 R HA -0.004 4.335 4.340 -0.001 0.000 0.217 77 R C 2.066 178.295 176.300 -0.119 0.000 1.074 77 R CA 0.811 56.837 56.100 -0.124 0.000 0.991 77 R CB -0.623 29.586 30.300 -0.151 0.000 0.895 77 R HN 0.284 nan 8.270 nan 0.000 0.450 78 R N 0.212 120.673 120.500 -0.066 0.000 2.161 78 R HA 0.128 4.467 4.340 -0.001 0.000 0.213 78 R C 1.081 177.337 176.300 -0.073 0.000 1.055 78 R CA -0.122 55.943 56.100 -0.058 0.000 0.996 78 R CB -0.165 30.117 30.300 -0.030 0.000 0.901 78 R HN 0.092 nan 8.270 nan 0.000 0.456 79 M N 2.553 122.103 119.600 -0.084 0.000 2.255 79 M HA -0.080 4.399 4.480 -0.001 0.000 0.356 79 M C -0.884 175.351 176.300 -0.108 0.000 1.338 79 M CA 0.580 55.827 55.300 -0.089 0.000 0.962 79 M CB 0.504 33.042 32.600 -0.104 0.000 1.877 79 M HN -0.096 nan 8.290 nan 0.000 0.463 80 D N 4.616 124.984 120.400 -0.053 0.000 2.443 80 D HA 0.111 4.750 4.640 -0.001 0.000 0.239 80 D C 1.014 177.293 176.300 -0.036 0.000 1.136 80 D CA 0.752 54.732 54.000 -0.032 0.000 0.879 80 D CB 0.964 41.761 40.800 -0.005 0.000 1.195 80 D HN 0.821 nan 8.370 nan 0.000 0.443 81 A N 2.392 125.191 122.820 -0.035 0.000 1.948 81 A HA -0.249 4.070 4.320 -0.001 0.000 0.220 81 A C 2.103 179.690 177.584 0.005 0.000 1.177 81 A CA 2.370 54.392 52.037 -0.025 0.000 0.636 81 A CB -0.626 18.387 19.000 0.022 0.000 0.815 81 A HN 0.598 nan 8.150 nan 0.000 0.449 82 S N -1.542 114.175 115.700 0.028 0.000 2.423 82 S HA -0.202 4.267 4.470 -0.001 0.000 0.231 82 S C 1.818 176.452 174.600 0.056 0.000 1.014 82 S CA 1.479 59.704 58.200 0.041 0.000 0.965 82 S CB -0.618 62.608 63.200 0.044 0.000 0.785 82 S HN 0.733 nan 8.310 nan 0.000 0.495 83 H N 1.662 120.702 119.070 -0.050 0.000 2.436 83 H HA 0.275 4.830 4.556 -0.001 0.000 0.294 83 H C 2.268 177.555 175.328 -0.069 0.000 1.048 83 H CA 1.190 57.203 56.048 -0.058 0.000 1.353 83 H CB -0.082 29.640 29.762 -0.067 0.000 1.414 83 H HN 0.303 nan 8.280 nan 0.000 0.536 84 R N -0.644 119.807 120.500 -0.082 0.000 2.127 84 R HA -0.093 4.246 4.340 -0.001 0.000 0.238 84 R C 2.345 178.653 176.300 0.013 0.000 1.134 84 R CA 1.112 57.165 56.100 -0.078 0.000 0.975 84 R CB -0.417 29.797 30.300 -0.143 0.000 0.865 84 R HN 0.423 nan 8.270 nan 0.000 0.447 85 G N 0.895 109.695 108.800 -0.001 0.000 2.408 85 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.215 85 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.215 85 G C 1.417 176.308 174.900 -0.016 0.000 1.156 85 G CA -0.015 45.103 45.100 0.030 0.000 0.793 85 G HN 0.121 nan 8.290 nan 0.000 0.535 86 R N 0.338 120.774 120.500 -0.105 0.000 2.081 86 R HA 0.106 4.445 4.340 -0.001 0.000 0.235 86 R C 2.556 178.749 176.300 -0.180 0.000 1.131 86 R CA 0.411 56.427 56.100 -0.140 0.000 0.960 86 R CB -1.212 28.974 30.300 -0.189 0.000 0.856 86 R HN 0.372 nan 8.270 nan 0.000 0.436 87 L N 0.522 121.550 121.223 -0.324 0.000 2.042 87 L HA -0.163 4.177 4.340 -0.001 0.000 0.210 87 L C 2.456 179.354 176.870 0.046 0.000 1.076 87 L CA 1.184 55.787 54.840 -0.395 0.000 0.749 87 L CB -0.403 41.055 42.059 -1.002 0.000 0.893 87 L HN 0.109 nan 8.230 nan 0.000 0.432 88 L N -0.683 120.664 121.223 0.207 0.000 2.141 88 L HA -0.185 4.154 4.340 -0.001 0.000 0.209 88 L C 2.337 179.316 176.870 0.181 0.000 1.094 88 L CA 0.843 55.867 54.840 0.307 0.000 0.763 88 L CB -0.492 41.739 42.059 0.287 0.000 0.908 88 L HN 0.335 nan 8.230 nan 0.000 0.437 89 N N -0.005 118.758 118.700 0.105 0.000 2.216 89 N HA -0.182 4.558 4.740 -0.001 0.000 0.183 89 N C 1.965 177.519 175.510 0.072 0.000 1.017 89 N CA 0.896 53.993 53.050 0.077 0.000 0.861 89 N CB -0.016 38.496 38.487 0.042 0.000 0.986 89 N HN 0.191 nan 8.380 nan 0.000 0.428 90 R N 1.398 121.932 120.500 0.057 0.000 2.073 90 R HA -0.045 4.294 4.340 -0.001 0.000 0.234 90 R C 2.148 178.505 176.300 0.094 0.000 1.134 90 R CA 0.970 57.103 56.100 0.056 0.000 0.952 90 R CB -1.032 29.279 30.300 0.019 0.000 0.850 90 R HN 0.138 nan 8.270 nan 0.000 0.433 91 L N 0.488 121.801 121.223 0.150 0.000 2.013 91 L HA -0.072 4.267 4.340 -0.001 0.000 0.212 91 L C 2.196 179.133 176.870 0.112 0.000 1.073 91 L CA 2.431 57.363 54.840 0.153 0.000 0.753 91 L CB -1.107 41.081 42.059 0.216 0.000 0.890 91 L HN 0.325 nan 8.230 nan 0.000 0.432 92 A N -0.991 121.897 122.820 0.115 0.000 1.902 92 A HA -0.228 4.091 4.320 -0.001 0.000 0.217 92 A C 1.994 179.629 177.584 0.085 0.000 1.181 92 A CA 1.855 53.952 52.037 0.100 0.000 0.623 92 A CB -0.917 18.146 19.000 0.105 0.000 0.818 92 A HN 0.539 nan 8.150 nan 0.000 0.443 93 D N -0.037 120.410 120.400 0.079 0.000 2.149 93 D HA -0.115 4.524 4.640 -0.001 0.000 0.198 93 D C 1.873 178.217 176.300 0.074 0.000 0.990 93 D CA 0.918 54.959 54.000 0.069 0.000 0.839 93 D CB -0.265 40.570 40.800 0.059 0.000 0.948 93 D HN 0.461 nan 8.370 nan 0.000 0.460 94 L N 0.045 121.315 121.223 0.078 0.000 2.056 94 L HA -0.086 4.253 4.340 -0.001 0.000 0.207 94 L C 2.383 179.317 176.870 0.107 0.000 1.078 94 L CA 0.655 55.543 54.840 0.080 0.000 0.749 94 L CB -0.219 41.879 42.059 0.065 0.000 0.901 94 L HN 0.038 nan 8.230 nan 0.000 0.433 95 I N -0.262 120.373 120.570 0.110 0.000 2.315 95 I HA -0.282 3.888 4.170 -0.001 0.000 0.248 95 I C 2.574 178.766 176.117 0.125 0.000 1.117 95 I CA 1.155 62.537 61.300 0.137 0.000 1.404 95 I CB -0.170 37.899 38.000 0.115 0.000 1.071 95 I HN 0.321 nan 8.210 nan 0.000 0.419 96 E N 1.303 121.559 120.200 0.093 0.000 2.077 96 E HA -0.286 4.063 4.350 -0.001 0.000 0.193 96 E C 2.407 179.069 176.600 0.104 0.000 0.989 96 E CA 1.118 57.563 56.400 0.075 0.000 0.800 96 E CB -0.053 29.683 29.700 0.061 0.000 0.746 96 E HN 0.292 nan 8.360 nan 0.000 0.452 97 R N 0.315 120.881 120.500 0.110 0.000 2.115 97 R HA -0.117 4.222 4.340 -0.001 0.000 0.230 97 R C 0.189 176.579 176.300 0.150 0.000 1.111 97 R CA 1.643 57.812 56.100 0.115 0.000 0.976 97 R CB 0.055 30.410 30.300 0.091 0.000 0.870 97 R HN 0.089 nan 8.270 nan 0.000 0.445 98 D N 0.105 120.619 120.400 0.189 0.000 2.587 98 D HA 0.063 4.703 4.640 -0.001 0.000 0.233 98 D C 0.999 177.472 176.300 0.289 0.000 1.213 98 D CA -0.021 54.140 54.000 0.268 0.000 0.827 98 D CB 0.373 41.411 40.800 0.397 0.000 1.006 98 D HN 0.217 nan 8.370 nan 0.000 0.490 99 R N -0.112 120.529 120.500 0.236 0.000 2.062 99 R HA -0.067 4.272 4.340 -0.001 0.000 0.229 99 R C 1.519 178.029 176.300 0.350 0.000 1.128 99 R CA 1.235 57.456 56.100 0.202 0.000 0.960 99 R CB 0.054 30.404 30.300 0.083 0.000 0.855 99 R HN -0.031 nan 8.270 nan 0.000 0.432 100 T N 0.295 115.130 114.554 0.469 0.000 2.746 100 T HA -0.203 4.146 4.350 -0.001 0.000 0.267 100 T C 1.333 176.293 174.700 0.433 0.000 1.039 100 T CA 1.596 64.009 62.100 0.523 0.000 1.142 100 T CB -0.445 68.642 68.868 0.364 0.000 0.866 100 T HN 0.369 nan 8.240 nan 0.000 0.444 101 Y N 1.732 122.157 120.300 0.208 0.000 2.114 101 Y HA -0.056 4.494 4.550 -0.001 0.000 0.284 101 Y C 1.999 177.970 175.900 0.117 0.000 1.143 101 Y CA 1.137 59.308 58.100 0.118 0.000 1.135 101 Y CB -0.670 37.800 38.460 0.017 0.000 0.980 101 Y HN 0.105 nan 8.280 nan 0.000 0.499 102 L N -0.027 121.160 121.223 -0.060 0.000 2.131 102 L HA -0.204 4.136 4.340 -0.001 0.000 0.210 102 L C 2.716 179.573 176.870 -0.022 0.000 1.092 102 L CA 1.135 55.889 54.840 -0.144 0.000 0.759 102 L CB -0.815 41.298 42.059 0.090 0.000 0.903 102 L HN 0.407 nan 8.230 nan 0.000 0.435 103 A N -0.386 122.521 122.820 0.145 0.000 1.968 103 A HA -0.045 4.274 4.320 -0.001 0.000 0.217 103 A C 2.468 180.260 177.584 0.346 0.000 1.169 103 A CA 1.436 53.601 52.037 0.214 0.000 0.638 103 A CB -0.459 18.698 19.000 0.260 0.000 0.812 103 A HN 0.384 nan 8.150 nan 0.000 0.446 104 A N -0.720 122.339 122.820 0.397 0.000 1.898 104 A HA 0.122 4.442 4.320 -0.001 0.000 0.214 104 A C 2.022 179.725 177.584 0.198 0.000 1.183 104 A CA 1.402 53.684 52.037 0.407 0.000 0.622 104 A CB -0.506 18.652 19.000 0.263 0.000 0.824 104 A HN 0.512 nan 8.150 nan 0.000 0.444 105 L N 0.019 121.197 121.223 -0.075 0.000 2.141 105 L HA -0.101 4.239 4.340 -0.001 0.000 0.209 105 L C 2.184 179.020 176.870 -0.055 0.000 1.094 105 L CA 2.455 57.210 54.840 -0.142 0.000 0.763 105 L CB -0.505 41.310 42.059 -0.408 0.000 0.908 105 L HN 0.522 nan 8.230 nan 0.000 0.437 106 E N -1.278 118.901 120.200 -0.035 0.000 2.072 106 E HA -0.180 4.170 4.350 -0.001 0.000 0.191 106 E C 2.032 178.604 176.600 -0.047 0.000 0.985 106 E CA 1.865 58.252 56.400 -0.022 0.000 0.801 106 E CB -0.232 29.466 29.700 -0.002 0.000 0.750 106 E HN 0.429 nan 8.360 nan 0.000 0.452 107 T N 0.500 115.015 114.554 -0.066 0.000 2.777 107 T HA -0.119 4.230 4.350 -0.001 0.000 0.266 107 T C 1.692 176.267 174.700 -0.209 0.000 1.040 107 T CA 1.134 63.103 62.100 -0.218 0.000 1.141 107 T CB -0.315 68.264 68.868 -0.481 0.000 0.868 107 T HN 0.099 nan 8.240 nan 0.000 0.444 108 L N 0.916 122.101 121.223 -0.063 0.000 2.083 108 L HA -0.073 4.266 4.340 -0.001 0.000 0.209 108 L C 2.061 178.927 176.870 -0.006 0.000 1.083 108 L CA 1.704 56.577 54.840 0.055 0.000 0.752 108 L CB -0.226 41.927 42.059 0.155 0.000 0.899 108 L HN 0.105 nan 8.230 nan 0.000 0.433 109 D N -1.817 118.570 120.400 -0.022 0.000 2.262 109 D HA -0.111 4.528 4.640 -0.001 0.000 0.212 109 D C 1.822 178.099 176.300 -0.037 0.000 0.964 109 D CA 0.614 54.603 54.000 -0.019 0.000 0.875 109 D CB 0.152 40.952 40.800 0.000 0.000 0.996 109 D HN 0.356 nan 8.370 nan 0.000 0.497 110 N N -0.625 118.041 118.700 -0.057 0.000 2.439 110 N HA -0.028 4.711 4.740 -0.001 0.000 0.176 110 N C 1.298 176.739 175.510 -0.116 0.000 1.029 110 N CA 1.526 54.534 53.050 -0.070 0.000 0.886 110 N CB 1.013 39.460 38.487 -0.067 0.000 1.057 110 N HN 0.237 nan 8.380 nan 0.000 0.437 111 G N 1.504 110.221 108.800 -0.138 0.000 2.218 111 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.216 111 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.216 111 G C -0.082 174.729 174.900 -0.148 0.000 0.994 111 G CA 0.328 45.333 45.100 -0.160 0.000 0.637 111 G HN 0.653 nan 8.290 nan 0.000 0.505 112 K N 1.032 121.339 120.400 -0.154 0.000 2.355 112 K HA 0.493 4.812 4.320 -0.001 0.000 0.270 112 K C -2.691 173.840 176.600 -0.114 0.000 1.003 112 K CA -1.329 54.875 56.287 -0.139 0.000 0.957 112 K CB 0.775 33.171 32.500 -0.173 0.000 0.939 112 K HN 0.061 nan 8.250 nan 0.000 0.482 113 P HA -0.093 nan 4.420 nan 0.000 0.265 113 P C -0.296 177.007 177.300 0.005 0.000 1.193 113 P CA -0.110 62.980 63.100 -0.017 0.000 0.765 113 P CB 0.163 31.890 31.700 0.046 0.000 0.823 114 Y N 4.514 124.739 120.300 -0.126 0.000 2.165 114 Y HA -0.253 4.296 4.550 -0.001 0.000 0.286 114 Y C 1.820 177.767 175.900 0.078 0.000 1.155 114 Y CA 1.765 59.834 58.100 -0.052 0.000 1.164 114 Y CB -0.883 37.583 38.460 0.010 0.000 0.978 114 Y HN 0.072 nan 8.280 nan 0.000 0.513 115 V N 0.270 120.179 119.914 -0.008 0.000 2.469 115 V HA -0.317 3.802 4.120 -0.001 0.000 0.251 115 V C 2.302 178.393 176.094 -0.006 0.000 1.064 115 V CA 1.594 63.867 62.300 -0.045 0.000 1.066 115 V CB -0.663 31.204 31.823 0.073 0.000 0.667 115 V HN 0.427 nan 8.190 nan 0.000 0.461 116 I N -0.315 120.278 120.570 0.039 0.000 2.233 116 I HA -0.119 4.050 4.170 -0.001 0.000 0.243 116 I C 2.594 178.751 176.117 0.067 0.000 1.093 116 I CA 1.342 62.707 61.300 0.108 0.000 1.380 116 I CB -1.389 36.703 38.000 0.153 0.000 1.067 116 I HN 0.244 nan 8.210 nan 0.000 0.413 117 S N 0.041 115.735 115.700 -0.010 0.000 2.374 117 S HA -0.250 4.219 4.470 -0.001 0.000 0.227 117 S C 2.056 176.637 174.600 -0.032 0.000 1.037 117 S CA 1.563 59.752 58.200 -0.018 0.000 1.024 117 S CB -0.459 62.725 63.200 -0.026 0.000 0.861 117 S HN 0.446 nan 8.310 nan 0.000 0.456 118 Y N 1.362 121.502 120.300 -0.268 0.000 2.176 118 Y HA 0.089 4.639 4.550 -0.001 0.000 0.291 118 Y C 1.930 177.780 175.900 -0.083 0.000 1.122 118 Y CA 1.280 59.243 58.100 -0.229 0.000 1.128 118 Y CB -0.173 38.024 38.460 -0.438 0.000 1.005 118 Y HN 0.124 nan 8.280 nan 0.000 0.509 119 L N -1.578 119.699 121.223 0.090 0.000 2.209 119 L HA -0.082 4.257 4.340 -0.001 0.000 0.207 119 L C 1.779 178.676 176.870 0.046 0.000 1.094 119 L CA 0.453 55.338 54.840 0.075 0.000 0.790 119 L CB -0.250 41.879 42.059 0.117 0.000 0.932 119 L HN 0.121 nan 8.230 nan 0.000 0.447 120 V N -0.822 119.141 119.914 0.082 0.000 2.635 120 V HA -0.072 4.047 4.120 -0.001 0.000 0.233 120 V C 1.682 177.843 176.094 0.111 0.000 1.097 120 V CA 1.131 63.511 62.300 0.133 0.000 1.134 120 V CB -0.284 31.697 31.823 0.263 0.000 0.841 120 V HN 0.201 nan 8.190 nan 0.000 0.496 121 D N 0.577 121.050 120.400 0.122 0.000 2.087 121 D HA -0.170 4.469 4.640 -0.001 0.000 0.192 121 D C 1.969 178.293 176.300 0.040 0.000 0.993 121 D CA 1.471 55.533 54.000 0.102 0.000 0.828 121 D CB -0.209 40.655 40.800 0.107 0.000 0.968 121 D HN 0.196 nan 8.370 nan 0.000 0.448 122 L N 0.145 121.362 121.223 -0.010 0.000 2.217 122 L HA -0.078 4.262 4.340 -0.001 0.000 0.211 122 L C 1.704 178.546 176.870 -0.048 0.000 1.107 122 L CA 0.838 55.655 54.840 -0.037 0.000 0.783 122 L CB -0.085 41.915 42.059 -0.098 0.000 0.919 122 L HN -0.012 nan 8.230 nan 0.000 0.442 123 D N -0.165 120.198 120.400 -0.061 0.000 2.097 123 D HA -0.238 4.401 4.640 -0.001 0.000 0.195 123 D C 2.229 178.549 176.300 0.032 0.000 0.989 123 D CA 1.670 55.650 54.000 -0.033 0.000 0.827 123 D CB 0.055 40.842 40.800 -0.021 0.000 0.966 123 D HN 0.200 nan 8.370 nan 0.000 0.456 124 M N -0.646 118.991 119.600 0.062 0.000 2.229 124 M HA -0.103 4.376 4.480 -0.001 0.000 0.264 124 M C 2.223 178.608 176.300 0.141 0.000 1.063 124 M CA 0.528 55.896 55.300 0.112 0.000 1.114 124 M CB 0.073 32.747 32.600 0.124 0.000 1.387 124 M HN -0.036 nan 8.290 nan 0.000 0.420 125 V N 0.938 120.913 119.914 0.101 0.000 2.295 125 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 125 V C 2.267 178.438 176.094 0.129 0.000 1.049 125 V CA 1.728 64.099 62.300 0.118 0.000 1.024 125 V CB -0.573 31.296 31.823 0.077 0.000 0.648 125 V HN 0.457 nan 8.190 nan 0.000 0.447 126 L N -0.644 120.633 121.223 0.090 0.000 2.046 126 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 126 L C 2.556 179.493 176.870 0.112 0.000 1.077 126 L CA 1.756 56.649 54.840 0.088 0.000 0.747 126 L CB -0.666 41.423 42.059 0.050 0.000 0.896 126 L HN 0.266 nan 8.230 nan 0.000 0.432 127 K N -0.730 119.735 120.400 0.108 0.000 2.097 127 K HA -0.190 4.129 4.320 -0.001 0.000 0.206 127 K C 2.304 179.005 176.600 0.168 0.000 1.049 127 K CA 1.529 57.885 56.287 0.116 0.000 0.933 127 K CB -0.441 32.112 32.500 0.088 0.000 0.717 127 K HN 0.386 nan 8.250 nan 0.000 0.442 128 C N 1.021 120.445 119.300 0.208 0.000 2.446 128 C HA -0.015 4.444 4.460 -0.001 0.000 0.277 128 C C 2.349 177.572 174.990 0.387 0.000 1.275 128 C CA 0.471 59.669 59.018 0.299 0.000 1.727 128 C CB -0.856 27.110 27.740 0.378 0.000 2.010 128 C HN 0.402 nan 8.230 nan 0.000 0.486 129 L N 0.151 121.548 121.223 0.289 0.000 2.093 129 L HA -0.059 4.280 4.340 -0.001 0.000 0.208 129 L C 3.015 180.037 176.870 0.252 0.000 1.085 129 L CA 1.521 56.523 54.840 0.271 0.000 0.755 129 L CB -0.626 41.545 42.059 0.187 0.000 0.904 129 L HN 0.328 nan 8.230 nan 0.000 0.435 130 R N -1.335 119.285 120.500 0.199 0.000 2.090 130 R HA -0.188 4.151 4.340 -0.001 0.000 0.228 130 R C 2.234 178.609 176.300 0.125 0.000 1.110 130 R CA 1.309 57.493 56.100 0.141 0.000 0.973 130 R CB -0.412 29.952 30.300 0.106 0.000 0.869 130 R HN 0.241 nan 8.270 nan 0.000 0.440 131 Y N 0.035 120.351 120.300 0.026 0.000 2.145 131 Y HA -0.280 4.270 4.550 -0.001 0.000 0.286 131 Y C 1.560 177.410 175.900 -0.084 0.000 1.145 131 Y CA 1.591 59.638 58.100 -0.089 0.000 1.148 131 Y CB -0.286 38.083 38.460 -0.152 0.000 0.981 131 Y HN 0.030 nan 8.280 nan 0.000 0.507 132 Y N -0.640 119.785 120.300 0.208 0.000 2.457 132 Y HA -0.034 4.515 4.550 -0.001 0.000 0.292 132 Y C 2.501 178.469 175.900 0.114 0.000 1.125 132 Y CA 0.508 58.722 58.100 0.190 0.000 1.254 132 Y CB -0.385 38.209 38.460 0.223 0.000 1.012 132 Y HN 0.257 nan 8.280 nan 0.000 0.555 133 A N 0.033 122.976 122.820 0.205 0.000 1.902 133 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 133 A C 2.479 180.092 177.584 0.048 0.000 1.181 133 A CA 1.738 53.855 52.037 0.134 0.000 0.623 133 A CB -1.354 17.709 19.000 0.105 0.000 0.818 133 A HN 0.452 nan 8.150 nan 0.000 0.443 134 G N -2.586 106.171 108.800 -0.072 0.000 2.509 134 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.218 134 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.218 134 G C 1.306 176.075 174.900 -0.219 0.000 1.124 134 G CA 0.576 45.559 45.100 -0.195 0.000 0.776 134 G HN 0.685 nan 8.290 nan 0.000 0.547 135 W N 0.397 121.593 121.300 -0.173 0.000 2.658 135 W HA 0.296 4.955 4.660 -0.001 0.000 0.263 135 W C 2.715 179.218 176.519 -0.027 0.000 1.274 135 W CA 0.165 57.431 57.345 -0.132 0.000 1.343 135 W CB 0.373 29.754 29.460 -0.131 0.000 1.106 135 W HN 0.239 nan 8.180 nan 0.000 0.615 136 A N 1.123 124.090 122.820 0.244 0.000 1.927 136 A HA -0.289 4.030 4.320 -0.001 0.000 0.220 136 A C 1.202 178.870 177.584 0.141 0.000 1.185 136 A CA 2.414 54.552 52.037 0.168 0.000 0.639 136 A CB -0.864 18.203 19.000 0.111 0.000 0.820 136 A HN 0.361 nan 8.150 nan 0.000 0.451 137 D N -2.442 118.030 120.400 0.119 0.000 2.643 137 D HA 0.272 4.911 4.640 -0.001 0.000 0.244 137 D C 0.425 176.790 176.300 0.108 0.000 1.257 137 D CA -0.072 53.991 54.000 0.105 0.000 0.831 137 D CB 0.165 41.009 40.800 0.073 0.000 1.043 137 D HN 0.444 nan 8.370 nan 0.000 0.488 138 K N -0.811 119.664 120.400 0.126 0.000 2.517 138 K HA 0.070 4.389 4.320 -0.001 0.000 0.210 138 K C -0.579 175.898 176.600 -0.205 0.000 1.166 138 K CA -0.517 55.747 56.287 -0.039 0.000 1.030 138 K CB 0.786 33.330 32.500 0.073 0.000 0.974 138 K HN 0.016 nan 8.250 nan 0.000 0.585 139 Y N 2.781 123.022 120.300 -0.098 0.000 2.613 139 Y HA 0.126 4.675 4.550 -0.001 0.000 0.354 139 Y C -0.430 175.439 175.900 -0.052 0.000 1.063 139 Y CA -0.560 57.472 58.100 -0.115 0.000 1.384 139 Y CB -0.403 38.021 38.460 -0.060 0.000 1.199 139 Y HN 0.064 nan 8.280 nan 0.000 0.517 140 H N 2.362 121.338 119.070 -0.157 0.000 2.482 140 H HA 0.513 5.068 4.556 -0.001 0.000 0.344 140 H C 0.708 175.762 175.328 -0.457 0.000 1.151 140 H CA -0.380 55.553 56.048 -0.191 0.000 1.300 140 H CB 1.173 30.876 29.762 -0.100 0.000 1.494 140 H HN 0.792 nan 8.280 nan 0.000 0.542 141 G N 0.828 109.401 108.800 -0.378 0.000 2.525 141 G HA2 0.428 4.387 3.960 -0.001 0.000 0.287 141 G HA3 0.428 4.387 3.960 -0.001 0.000 0.287 141 G C -0.776 173.972 174.900 -0.254 0.000 1.350 141 G CA -0.789 43.907 45.100 -0.673 0.000 1.039 141 G HN 0.546 nan 8.290 nan 0.000 0.513 142 K N -0.847 119.455 120.400 -0.164 0.000 2.395 142 K HA 0.548 4.867 4.320 -0.001 0.000 0.247 142 K C -0.815 175.794 176.600 0.014 0.000 0.973 142 K CA -0.719 55.537 56.287 -0.053 0.000 0.828 142 K CB 2.087 34.567 32.500 -0.033 0.000 1.272 142 K HN 0.601 nan 8.250 nan 0.000 0.439 143 T N -0.956 113.626 114.554 0.047 0.000 2.771 143 T HA 0.613 4.962 4.350 -0.001 0.000 0.281 143 T C -0.064 174.682 174.700 0.078 0.000 0.982 143 T CA -0.751 61.414 62.100 0.108 0.000 0.978 143 T CB 0.015 69.013 68.868 0.216 0.000 0.930 143 T HN 0.392 nan 8.240 nan 0.000 0.447 144 I N 4.717 125.322 120.570 0.059 0.000 2.406 144 I HA 0.349 4.518 4.170 -0.001 0.000 0.290 144 I C -2.028 174.133 176.117 0.073 0.000 0.999 144 I CA -2.858 58.468 61.300 0.043 0.000 1.124 144 I CB 2.366 40.368 38.000 0.003 0.000 1.289 144 I HN 0.451 nan 8.210 nan 0.000 0.441 145 P HA 0.114 nan 4.420 nan 0.000 0.231 145 P C 0.095 177.440 177.300 0.075 0.000 1.756 145 P CA 0.195 63.343 63.100 0.081 0.000 0.990 145 P CB 0.042 31.777 31.700 0.059 0.000 1.973 146 I N 1.145 121.768 120.570 0.088 0.000 2.836 146 I HA 0.017 4.186 4.170 -0.001 0.000 0.285 146 I C 0.371 176.565 176.117 0.128 0.000 1.174 146 I CA -0.014 61.338 61.300 0.086 0.000 1.405 146 I CB 0.653 38.695 38.000 0.071 0.000 1.385 146 I HN 0.024 nan 8.210 nan 0.000 0.594 147 D N 4.486 124.956 120.400 0.115 0.000 2.400 147 D HA 0.428 5.067 4.640 -0.001 0.000 0.238 147 D C 0.339 176.785 176.300 0.243 0.000 1.157 147 D CA 1.275 55.354 54.000 0.132 0.000 0.889 147 D CB 0.711 41.568 40.800 0.096 0.000 1.199 147 D HN 0.910 nan 8.370 nan 0.000 0.436 148 G N 1.559 110.455 108.800 0.160 0.000 2.795 148 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.664 148 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.664 148 G C -0.681 174.144 174.900 -0.127 0.000 1.381 148 G CA -0.754 44.399 45.100 0.087 0.000 0.853 148 G HN 0.514 nan 8.290 nan 0.000 0.545 149 D N 0.920 121.007 120.400 -0.522 0.000 2.671 149 D HA 0.412 5.051 4.640 -0.001 0.000 0.228 149 D C 0.002 175.852 176.300 -0.750 0.000 1.102 149 D CA 1.066 54.765 54.000 -0.502 0.000 1.044 149 D CB -0.585 39.972 40.800 -0.406 0.000 1.113 149 D HN 0.283 nan 8.370 nan 0.000 0.480 150 F N 0.306 120.299 119.950 0.072 0.000 2.588 150 F HA 0.343 4.869 4.527 -0.001 0.000 0.310 150 F C -0.199 175.708 175.800 0.178 0.000 1.082 150 F CA -1.510 56.550 58.000 0.099 0.000 0.929 150 F CB 1.558 40.589 39.000 0.052 0.000 1.254 150 F HN -0.142 nan 8.300 nan 0.000 0.455 151 F N 2.341 122.430 119.950 0.232 0.000 2.385 151 F HA 0.629 5.155 4.527 -0.001 0.000 0.360 151 F C -0.338 175.579 175.800 0.196 0.000 1.122 151 F CA -0.745 57.364 58.000 0.181 0.000 1.090 151 F CB 0.928 40.020 39.000 0.154 0.000 1.150 151 F HN 0.279 nan 8.300 nan 0.000 0.472 152 S N 6.728 122.334 115.700 -0.157 0.000 2.502 152 S HA 0.741 5.210 4.470 -0.001 0.000 0.304 152 S C -1.394 172.999 174.600 -0.345 0.000 1.097 152 S CA -0.348 57.665 58.200 -0.313 0.000 1.045 152 S CB 0.541 63.660 63.200 -0.136 0.000 1.019 152 S HN 0.673 nan 8.310 nan 0.000 0.481 153 Y N 0.314 120.308 120.300 -0.509 0.000 2.625 153 Y HA 0.798 5.347 4.550 -0.001 0.000 0.338 153 Y C -0.438 175.329 175.900 -0.222 0.000 1.123 153 Y CA -1.084 56.808 58.100 -0.347 0.000 1.046 153 Y CB 0.824 39.045 38.460 -0.399 0.000 1.299 153 Y HN 0.518 nan 8.280 nan 0.000 0.464 154 T N -0.308 114.212 114.554 -0.057 0.000 2.912 154 T HA 0.710 5.059 4.350 -0.001 0.000 0.288 154 T C -0.836 173.847 174.700 -0.029 0.000 1.030 154 T CA -1.133 60.899 62.100 -0.113 0.000 1.020 154 T CB 1.877 70.693 68.868 -0.087 0.000 1.056 154 T HN 0.803 nan 8.240 nan 0.000 0.480 155 R N 0.617 121.111 120.500 -0.011 0.000 2.387 155 R HA 0.320 4.659 4.340 -0.001 0.000 0.314 155 R C -0.480 175.911 176.300 0.152 0.000 0.958 155 R CA -0.652 55.480 56.100 0.055 0.000 0.846 155 R CB 1.068 31.418 30.300 0.084 0.000 1.147 155 R HN 0.765 nan 8.270 nan 0.000 0.447 156 H N 2.145 121.270 119.070 0.091 0.000 2.726 156 H HA 0.094 4.650 4.556 -0.001 0.000 0.244 156 H C -0.302 175.118 175.328 0.153 0.000 1.669 156 H CA -0.390 55.740 56.048 0.136 0.000 1.293 156 H CB 0.495 30.373 29.762 0.193 0.000 1.640 156 H HN 0.395 nan 8.280 nan 0.000 0.553 157 E N 2.516 122.857 120.200 0.235 0.000 2.371 157 E HA 0.115 4.464 4.350 -0.001 0.000 0.257 157 E C -2.309 174.412 176.600 0.202 0.000 1.134 157 E CA -2.105 54.410 56.400 0.191 0.000 0.919 157 E CB 0.421 30.218 29.700 0.162 0.000 1.025 157 E HN 0.339 nan 8.360 nan 0.000 0.438 158 P HA -0.100 nan 4.420 nan 0.000 0.269 158 P C 0.521 177.953 177.300 0.219 0.000 1.209 158 P CA 0.089 63.351 63.100 0.270 0.000 0.776 158 P CB 0.690 32.662 31.700 0.454 0.000 0.876 159 V N 2.171 122.153 119.914 0.114 0.000 2.548 159 V HA 0.077 4.197 4.120 -0.001 0.000 0.249 159 V C 1.075 177.106 176.094 -0.105 0.000 1.055 159 V CA 2.686 64.999 62.300 0.023 0.000 1.065 159 V CB -1.102 30.709 31.823 -0.021 0.000 0.681 159 V HN 0.922 nan 8.190 nan 0.000 0.462 160 G N -0.656 107.975 108.800 -0.281 0.000 2.460 160 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.208 160 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.208 160 G C -0.399 174.125 174.900 -0.627 0.000 1.185 160 G CA -0.180 44.354 45.100 -0.942 0.000 1.262 160 G HN 0.737 nan 8.290 nan 0.000 0.522 161 V N 1.378 121.034 119.914 -0.430 0.000 2.389 161 V HA 0.440 4.559 4.120 -0.001 0.000 0.264 161 V C 0.252 176.270 176.094 -0.127 0.000 1.049 161 V CA -0.295 61.861 62.300 -0.241 0.000 0.932 161 V CB 0.504 32.208 31.823 -0.198 0.000 1.011 161 V HN 0.783 nan 8.190 nan 0.000 0.475 162 C N 5.030 124.292 119.300 -0.064 0.000 2.239 162 C HA 0.633 5.092 4.460 -0.001 0.000 0.325 162 C C 1.158 176.159 174.990 0.019 0.000 1.231 162 C CA -0.927 58.105 59.018 0.023 0.000 1.652 162 C CB 0.017 27.852 27.740 0.159 0.000 2.284 162 C HN 0.994 nan 8.230 nan 0.000 0.499 163 G N 3.318 112.128 108.800 0.016 0.000 2.349 163 G HA2 0.474 4.433 3.960 -0.001 0.000 0.281 163 G HA3 0.474 4.433 3.960 -0.001 0.000 0.281 163 G C -0.660 174.277 174.900 0.061 0.000 1.182 163 G CA -0.073 45.041 45.100 0.023 0.000 0.899 163 G HN 0.811 nan 8.290 nan 0.000 0.455 164 Q N 1.677 121.511 119.800 0.057 0.000 2.320 164 Q HA 0.378 4.717 4.340 -0.001 0.000 0.268 164 Q C -0.612 175.429 176.000 0.068 0.000 1.023 164 Q CA -0.399 55.448 55.803 0.073 0.000 0.744 164 Q CB 2.472 31.246 28.738 0.059 0.000 1.246 164 Q HN 0.570 nan 8.270 nan 0.000 0.462 165 I N 4.932 125.558 120.570 0.093 0.000 2.312 165 I HA 0.410 4.579 4.170 -0.001 0.000 0.290 165 I C -0.014 176.091 176.117 -0.020 0.000 1.008 165 I CA -0.638 60.722 61.300 0.099 0.000 1.226 165 I CB 0.471 38.639 38.000 0.280 0.000 1.371 165 I HN 0.511 nan 8.210 nan 0.000 0.468 166 I N 5.372 125.929 120.570 -0.023 0.000 2.693 166 I HA 0.765 4.935 4.170 -0.001 0.000 0.303 166 I C -2.635 173.423 176.117 -0.098 0.000 1.025 166 I CA -2.261 58.991 61.300 -0.080 0.000 1.086 166 I CB 2.123 40.107 38.000 -0.028 0.000 1.268 166 I HN 0.222 nan 8.210 nan 0.000 0.440 167 P HA 0.191 nan 4.420 nan 0.000 0.297 167 P C -0.174 177.038 177.300 -0.147 0.000 1.307 167 P CA -0.222 62.705 63.100 -0.288 0.000 0.773 167 P CB 0.557 31.982 31.700 -0.459 0.000 1.265 168 W N 0.075 121.375 121.300 -0.000 0.000 3.107 168 W HA 0.063 4.723 4.660 -0.001 0.000 0.293 168 W C 0.801 177.280 176.519 -0.066 0.000 1.239 168 W CA 0.223 57.560 57.345 -0.014 0.000 1.653 168 W CB -1.506 27.953 29.460 -0.003 0.000 1.068 168 W HN 0.214 nan 8.180 nan 0.000 0.615 169 N N 1.973 120.602 118.700 -0.118 0.000 2.309 169 N HA -0.166 4.574 4.740 -0.001 0.000 0.182 169 N C -0.091 175.056 175.510 -0.606 0.000 1.018 169 N CA 0.880 53.817 53.050 -0.187 0.000 0.876 169 N CB -1.105 37.210 38.487 -0.286 0.000 0.972 169 N HN 0.093 nan 8.380 nan 0.000 0.434 170 F N -0.864 119.014 119.950 -0.120 0.000 2.708 170 F HA 0.422 4.948 4.527 -0.001 0.000 0.344 170 F C -1.867 173.847 175.800 -0.143 0.000 1.447 170 F CA -2.015 55.884 58.000 -0.169 0.000 1.140 170 F CB 2.059 40.871 39.000 -0.312 0.000 1.657 170 F HN -0.197 nan 8.300 nan 0.000 0.598 171 P HA -0.216 nan 4.420 nan 0.000 0.214 171 P C 1.938 179.255 177.300 0.028 0.000 1.169 171 P CA 1.734 64.862 63.100 0.046 0.000 0.908 171 P CB 0.447 32.182 31.700 0.058 0.000 0.791 172 L N -2.017 119.224 121.223 0.030 0.000 2.044 172 L HA -0.126 4.213 4.340 -0.001 0.000 0.205 172 L C 2.417 179.280 176.870 -0.010 0.000 1.075 172 L CA 0.916 55.772 54.840 0.026 0.000 0.747 172 L CB -0.886 41.198 42.059 0.041 0.000 0.903 172 L HN -0.030 nan 8.230 nan 0.000 0.435 173 L N -0.979 120.203 121.223 -0.067 0.000 2.217 173 L HA -0.146 4.194 4.340 -0.001 0.000 0.211 173 L C 2.374 179.014 176.870 -0.384 0.000 1.107 173 L CA 1.570 56.277 54.840 -0.222 0.000 0.783 173 L CB -0.341 41.484 42.059 -0.390 0.000 0.919 173 L HN 0.167 nan 8.230 nan 0.000 0.442 174 M N -0.843 118.580 119.600 -0.294 0.000 2.132 174 M HA -0.210 4.269 4.480 -0.001 0.000 0.263 174 M C 2.231 178.538 176.300 0.011 0.000 1.065 174 M CA 1.729 56.921 55.300 -0.179 0.000 1.122 174 M CB -1.093 31.434 32.600 -0.121 0.000 1.365 174 M HN 0.522 nan 8.290 nan 0.000 0.411 175 Q N 0.154 119.953 119.800 -0.001 0.000 2.061 175 Q HA -0.160 4.179 4.340 -0.001 0.000 0.204 175 Q C 1.984 178.005 176.000 0.036 0.000 0.984 175 Q CA 2.203 58.014 55.803 0.013 0.000 0.846 175 Q CB -0.113 28.626 28.738 0.003 0.000 0.902 175 Q HN 0.446 nan 8.270 nan 0.000 0.421 176 A N 0.174 123.037 122.820 0.072 0.000 1.908 176 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 176 A C 1.604 179.327 177.584 0.233 0.000 1.181 176 A CA 1.379 53.497 52.037 0.135 0.000 0.627 176 A CB -1.252 17.854 19.000 0.177 0.000 0.818 176 A HN 0.681 nan 8.150 nan 0.000 0.445 177 W N 0.280 121.568 121.300 -0.021 0.000 2.350 177 W HA -0.074 4.585 4.660 -0.001 0.000 0.289 177 W C 2.087 178.543 176.519 -0.106 0.000 1.215 177 W CA 1.527 58.858 57.345 -0.023 0.000 1.236 177 W CB -0.087 29.368 29.460 -0.009 0.000 1.130 177 W HN 0.242 nan 8.180 nan 0.000 0.541 178 K N -0.691 119.768 120.400 0.099 0.000 2.214 178 K HA 0.147 4.466 4.320 -0.001 0.000 0.201 178 K C 2.027 178.491 176.600 -0.228 0.000 1.049 178 K CA 0.620 56.877 56.287 -0.050 0.000 0.978 178 K CB -0.888 31.619 32.500 0.013 0.000 0.842 178 K HN 0.197 nan 8.250 nan 0.000 0.474 179 L N 0.459 121.586 121.223 -0.159 0.000 2.109 179 L HA -0.037 4.302 4.340 -0.001 0.000 0.207 179 L C 2.431 179.159 176.870 -0.236 0.000 1.086 179 L CA 1.239 55.957 54.840 -0.203 0.000 0.760 179 L CB -1.126 40.837 42.059 -0.159 0.000 0.910 179 L HN 0.226 nan 8.230 nan 0.000 0.437 180 G N 1.722 110.386 108.800 -0.226 0.000 2.628 180 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.217 180 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.217 180 G C -0.502 174.082 174.900 -0.527 0.000 1.240 180 G CA 1.204 46.143 45.100 -0.267 0.000 0.792 180 G HN 0.311 nan 8.290 nan 0.000 0.593 181 P HA 0.040 nan 4.420 nan 0.000 0.218 181 P C 2.053 179.046 177.300 -0.513 0.000 1.152 181 P CA 1.892 64.496 63.100 -0.827 0.000 0.826 181 P CB -0.157 31.029 31.700 -0.856 0.000 0.790 182 A N 0.668 123.052 122.820 -0.728 0.000 1.883 182 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 182 A C 2.429 179.925 177.584 -0.146 0.000 1.186 182 A CA 1.582 53.229 52.037 -0.649 0.000 0.624 182 A CB -1.628 16.934 19.000 -0.730 0.000 0.822 182 A HN 0.132 nan 8.150 nan 0.000 0.444 183 L N -1.206 119.986 121.223 -0.051 0.000 2.179 183 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 183 L C 2.946 180.009 176.870 0.321 0.000 1.096 183 L CA 0.782 55.779 54.840 0.262 0.000 0.779 183 L CB -0.456 41.730 42.059 0.212 0.000 0.922 183 L HN 0.448 nan 8.230 nan 0.000 0.443 184 A N -0.061 122.849 122.820 0.151 0.000 2.067 184 A HA -0.129 4.190 4.320 -0.001 0.000 0.219 184 A C 2.054 179.696 177.584 0.096 0.000 1.158 184 A CA 1.788 53.918 52.037 0.155 0.000 0.661 184 A CB -0.623 18.498 19.000 0.201 0.000 0.801 184 A HN 0.485 nan 8.150 nan 0.000 0.452 185 T N -4.632 109.959 114.554 0.063 0.000 3.105 185 T HA 0.436 4.786 4.350 -0.001 0.000 0.253 185 T C 1.233 175.998 174.700 0.110 0.000 1.047 185 T CA 0.865 63.000 62.100 0.057 0.000 0.944 185 T CB 0.263 69.133 68.868 0.005 0.000 1.016 185 T HN 1.530 nan 8.240 nan 0.000 0.544 186 G N 1.710 110.597 108.800 0.144 0.000 2.141 186 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.242 186 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.242 186 G C 0.000 175.214 174.900 0.523 0.000 0.982 186 G CA -0.325 44.848 45.100 0.121 0.000 0.662 186 G HN 0.567 nan 8.290 nan 0.000 0.527 187 N N -0.309 118.675 118.700 0.473 0.000 2.381 187 N HA 0.534 5.273 4.740 -0.001 0.000 0.254 187 N C 0.663 176.424 175.510 0.419 0.000 1.264 187 N CA 0.586 53.878 53.050 0.402 0.000 0.942 187 N CB 1.721 40.330 38.487 0.204 0.000 1.190 187 N HN 0.732 nan 8.380 nan 0.000 0.495 188 V N -2.196 117.819 119.914 0.167 0.000 2.994 188 V HA 0.758 4.877 4.120 -0.001 0.000 0.318 188 V C -0.073 175.981 176.094 -0.067 0.000 1.085 188 V CA -0.698 61.596 62.300 -0.010 0.000 0.998 188 V CB 1.738 33.562 31.823 0.002 0.000 1.063 188 V HN 0.259 nan 8.190 nan 0.000 0.447 189 V N 1.705 121.550 119.914 -0.115 0.000 2.789 189 V HA 0.571 4.690 4.120 -0.001 0.000 0.311 189 V C -0.692 175.349 176.094 -0.088 0.000 1.073 189 V CA -0.478 61.765 62.300 -0.094 0.000 0.921 189 V CB 2.285 34.038 31.823 -0.117 0.000 1.009 189 V HN 0.802 nan 8.190 nan 0.000 0.426 190 V N 5.305 125.180 119.914 -0.065 0.000 2.305 190 V HA 0.449 4.569 4.120 -0.001 0.000 0.275 190 V C -0.192 175.888 176.094 -0.023 0.000 1.020 190 V CA -0.214 62.053 62.300 -0.055 0.000 0.811 190 V CB 1.309 33.088 31.823 -0.074 0.000 1.031 190 V HN 0.881 nan 8.190 nan 0.000 0.439 191 M N 4.899 124.490 119.600 -0.015 0.000 2.238 191 M HA 0.547 5.026 4.480 -0.001 0.000 0.350 191 M C -0.429 175.889 176.300 0.031 0.000 1.138 191 M CA -0.530 54.774 55.300 0.007 0.000 1.040 191 M CB 1.105 33.699 32.600 -0.009 0.000 1.639 191 M HN 0.317 nan 8.290 nan 0.000 0.451 192 K N 5.419 125.848 120.400 0.047 0.000 2.264 192 K HA 0.361 4.680 4.320 -0.001 0.000 0.277 192 K C -1.047 175.596 176.600 0.072 0.000 1.067 192 K CA -0.276 56.049 56.287 0.064 0.000 0.900 192 K CB 0.527 33.074 32.500 0.079 0.000 1.124 192 K HN 0.676 nan 8.250 nan 0.000 0.469 193 V N 0.808 120.771 119.914 0.083 0.000 2.997 193 V HA 0.659 4.778 4.120 -0.001 0.000 0.311 193 V C 0.407 176.572 176.094 0.119 0.000 1.066 193 V CA -1.189 61.169 62.300 0.097 0.000 1.039 193 V CB 1.139 33.032 31.823 0.116 0.000 1.081 193 V HN 0.691 nan 8.190 nan 0.000 0.467 194 A N 2.004 124.911 122.820 0.145 0.000 2.477 194 A HA 0.296 4.615 4.320 -0.001 0.000 0.246 194 A C 1.243 178.950 177.584 0.207 0.000 1.078 194 A CA 0.301 52.461 52.037 0.205 0.000 0.770 194 A CB -0.073 19.109 19.000 0.303 0.000 1.011 194 A HN 1.151 nan 8.150 nan 0.000 0.494 195 E N 1.642 121.947 120.200 0.175 0.000 2.204 195 E HA -0.279 4.070 4.350 -0.001 0.000 0.195 195 E C 0.959 177.720 176.600 0.268 0.000 0.990 195 E CA 1.684 58.172 56.400 0.147 0.000 0.821 195 E CB -0.174 29.562 29.700 0.059 0.000 0.750 195 E HN 0.812 nan 8.360 nan 0.000 0.477 196 Q N 0.648 120.560 119.800 0.188 0.000 2.269 196 Q HA 0.023 4.362 4.340 -0.001 0.000 0.201 196 Q C 0.564 176.634 176.000 0.116 0.000 0.946 196 Q CA 1.563 57.424 55.803 0.096 0.000 0.877 196 Q CB 0.746 29.420 28.738 -0.106 0.000 0.963 196 Q HN 0.426 nan 8.270 nan 0.000 0.472 197 T N -3.260 111.396 114.554 0.170 0.000 3.583 197 T HA 0.302 4.652 4.350 -0.001 0.000 0.266 197 T C -2.545 172.243 174.700 0.145 0.000 1.296 197 T CA -1.283 60.901 62.100 0.139 0.000 1.668 197 T CB 1.158 70.112 68.868 0.143 0.000 0.832 197 T HN -0.063 nan 8.240 nan 0.000 0.649 198 P HA 0.267 nan 4.420 nan 0.000 0.245 198 P C 1.625 179.000 177.300 0.124 0.000 1.199 198 P CA -0.189 63.004 63.100 0.155 0.000 0.807 198 P CB 0.399 32.222 31.700 0.205 0.000 1.002 199 L N 0.517 121.795 121.223 0.092 0.000 1.976 199 L HA -0.145 4.194 4.340 -0.001 0.000 0.209 199 L C 2.700 179.640 176.870 0.116 0.000 1.071 199 L CA 2.766 57.653 54.840 0.079 0.000 0.746 199 L CB -2.096 39.983 42.059 0.033 0.000 0.890 199 L HN 0.104 nan 8.230 nan 0.000 0.432 200 T N -1.837 112.770 114.554 0.088 0.000 2.737 200 T HA -0.199 4.151 4.350 -0.001 0.000 0.269 200 T C 1.893 176.689 174.700 0.161 0.000 1.040 200 T CA 1.178 63.343 62.100 0.108 0.000 1.142 200 T CB -0.473 68.432 68.868 0.062 0.000 0.861 200 T HN 0.359 nan 8.240 nan 0.000 0.456 201 A N 1.350 124.247 122.820 0.129 0.000 1.968 201 A HA 0.277 4.596 4.320 -0.001 0.000 0.217 201 A C 2.431 180.093 177.584 0.130 0.000 1.169 201 A CA 0.901 53.002 52.037 0.106 0.000 0.638 201 A CB -0.710 18.343 19.000 0.088 0.000 0.812 201 A HN 0.541 nan 8.150 nan 0.000 0.446 202 L N -2.261 119.085 121.223 0.205 0.000 2.156 202 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 202 L C 2.531 179.622 176.870 0.367 0.000 1.095 202 L CA 1.339 56.383 54.840 0.340 0.000 0.770 202 L CB -0.539 41.699 42.059 0.299 0.000 0.914 202 L HN 0.569 nan 8.230 nan 0.000 0.439 203 Y N 0.319 120.723 120.300 0.172 0.000 2.220 203 Y HA -0.173 4.377 4.550 -0.001 0.000 0.291 203 Y C 2.407 178.390 175.900 0.139 0.000 1.129 203 Y CA 1.274 59.489 58.100 0.191 0.000 1.161 203 Y CB -0.160 38.454 38.460 0.258 0.000 0.997 203 Y HN -0.193 nan 8.280 nan 0.000 0.522 204 V N 0.432 120.422 119.914 0.127 0.000 2.407 204 V HA -0.341 3.778 4.120 -0.001 0.000 0.248 204 V C 2.637 178.627 176.094 -0.174 0.000 1.055 204 V CA 1.654 63.943 62.300 -0.019 0.000 1.049 204 V CB -1.532 30.306 31.823 0.025 0.000 0.662 204 V HN 0.564 nan 8.190 nan 0.000 0.455 205 A N 0.229 122.910 122.820 -0.232 0.000 1.948 205 A HA -0.318 4.002 4.320 -0.001 0.000 0.220 205 A C 2.056 179.223 177.584 -0.695 0.000 1.177 205 A CA 2.441 54.077 52.037 -0.668 0.000 0.636 205 A CB -0.804 17.627 19.000 -0.948 0.000 0.815 205 A HN 0.597 nan 8.150 nan 0.000 0.449 206 N N -0.174 118.409 118.700 -0.195 0.000 2.120 206 N HA -0.062 4.678 4.740 -0.001 0.000 0.188 206 N C 1.538 176.976 175.510 -0.121 0.000 1.024 206 N CA 1.433 54.480 53.050 -0.004 0.000 0.852 206 N CB -0.353 38.106 38.487 -0.047 0.000 1.003 206 N HN 0.496 nan 8.380 nan 0.000 0.424 207 L N -0.039 121.052 121.223 -0.221 0.000 2.141 207 L HA -0.072 4.267 4.340 -0.001 0.000 0.209 207 L C 1.984 178.834 176.870 -0.033 0.000 1.094 207 L CA 0.663 55.427 54.840 -0.127 0.000 0.763 207 L CB -0.319 41.674 42.059 -0.110 0.000 0.908 207 L HN 0.219 nan 8.230 nan 0.000 0.437 208 I N 0.067 120.578 120.570 -0.097 0.000 2.286 208 I HA -0.309 3.861 4.170 -0.001 0.000 0.248 208 I C 2.735 178.928 176.117 0.127 0.000 1.115 208 I CA 1.328 62.602 61.300 -0.044 0.000 1.392 208 I CB -0.303 37.520 38.000 -0.294 0.000 1.065 208 I HN 0.280 nan 8.210 nan 0.000 0.418 209 K N 1.434 121.884 120.400 0.082 0.000 2.026 209 K HA -0.265 4.054 4.320 -0.001 0.000 0.208 209 K C 2.073 178.753 176.600 0.132 0.000 1.048 209 K CA 1.883 58.271 56.287 0.167 0.000 0.929 209 K CB -0.188 32.457 32.500 0.242 0.000 0.713 209 K HN 0.276 nan 8.250 nan 0.000 0.439 210 E N -0.054 120.200 120.200 0.090 0.000 2.153 210 E HA -0.176 4.173 4.350 -0.001 0.000 0.194 210 E C 1.725 178.374 176.600 0.081 0.000 0.988 210 E CA 0.923 57.364 56.400 0.068 0.000 0.811 210 E CB -0.107 29.610 29.700 0.028 0.000 0.746 210 E HN 0.480 nan 8.360 nan 0.000 0.466 211 A N 0.204 123.097 122.820 0.121 0.000 1.933 211 A HA 0.020 4.340 4.320 -0.001 0.000 0.218 211 A C 1.916 179.540 177.584 0.066 0.000 1.175 211 A CA 1.605 53.718 52.037 0.128 0.000 0.628 211 A CB -0.470 18.690 19.000 0.265 0.000 0.814 211 A HN 0.535 nan 8.150 nan 0.000 0.444 212 G N -3.127 105.736 108.800 0.105 0.000 2.151 212 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.140 212 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.140 212 G C -0.097 174.822 174.900 0.031 0.000 1.020 212 G CA -0.301 44.831 45.100 0.053 0.000 0.688 212 G HN 0.238 nan 8.290 nan 0.000 0.500 213 F N 1.536 121.511 119.950 0.040 0.000 2.529 213 F HA 0.424 4.950 4.527 -0.001 0.000 0.365 213 F C -1.172 174.622 175.800 -0.011 0.000 1.102 213 F CA -1.507 56.492 58.000 -0.000 0.000 1.271 213 F CB 0.604 39.535 39.000 -0.116 0.000 1.120 213 F HN -0.092 nan 8.300 nan 0.000 0.579 214 P HA 0.036 nan 4.420 nan 0.000 0.267 214 P C -2.530 174.786 177.300 0.026 0.000 1.200 214 P CA -0.815 62.345 63.100 0.101 0.000 0.772 214 P CB -0.065 31.729 31.700 0.155 0.000 0.855 215 P HA 0.032 nan 4.420 nan 0.000 0.266 215 P C 1.039 178.298 177.300 -0.068 0.000 1.195 215 P CA 1.217 64.293 63.100 -0.040 0.000 0.768 215 P CB 0.105 31.779 31.700 -0.042 0.000 0.838 216 G N 1.170 109.906 108.800 -0.108 0.000 2.205 216 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.261 216 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.261 216 G C 0.994 175.809 174.900 -0.142 0.000 0.980 216 G CA 0.289 45.321 45.100 -0.114 0.000 0.632 216 G HN 0.412 nan 8.290 nan 0.000 0.533 217 V N -0.439 119.345 119.914 -0.216 0.000 2.427 217 V HA 0.096 4.215 4.120 -0.001 0.000 0.248 217 V C 1.390 177.281 176.094 -0.338 0.000 1.051 217 V CA 1.961 64.010 62.300 -0.418 0.000 1.048 217 V CB 0.233 31.590 31.823 -0.776 0.000 0.666 217 V HN 0.379 nan 8.190 nan 0.000 0.456 218 V N 1.716 121.480 119.914 -0.251 0.000 2.482 218 V HA 0.443 4.562 4.120 -0.001 0.000 0.295 218 V C -0.880 175.186 176.094 -0.046 0.000 1.026 218 V CA -0.813 61.370 62.300 -0.195 0.000 0.856 218 V CB 1.794 33.438 31.823 -0.298 0.000 1.001 218 V HN 0.444 nan 8.190 nan 0.000 0.424 219 N N 5.900 124.574 118.700 -0.043 0.000 2.342 219 N HA 0.620 5.359 4.740 -0.001 0.000 0.293 219 N C -1.219 174.302 175.510 0.018 0.000 1.026 219 N CA -0.499 52.559 53.050 0.013 0.000 0.857 219 N CB 2.980 41.421 38.487 -0.076 0.000 1.256 219 N HN 0.463 nan 8.380 nan 0.000 0.484 220 I N 1.728 122.348 120.570 0.085 0.000 2.382 220 I HA 0.312 4.481 4.170 -0.001 0.000 0.286 220 I C -0.468 175.711 176.117 0.103 0.000 1.002 220 I CA -0.937 60.405 61.300 0.070 0.000 1.135 220 I CB 1.919 39.953 38.000 0.056 0.000 1.288 220 I HN 0.063 nan 8.210 nan 0.000 0.448 221 V N 8.189 128.149 119.914 0.076 0.000 2.304 221 V HA 0.300 4.419 4.120 -0.001 0.000 0.278 221 V C -2.099 174.056 176.094 0.101 0.000 1.018 221 V CA -1.574 60.776 62.300 0.083 0.000 0.814 221 V CB 1.503 33.350 31.823 0.040 0.000 1.021 221 V HN 0.574 nan 8.190 nan 0.000 0.440 222 P HA 0.578 nan 4.420 nan 0.000 0.275 222 P C 0.209 177.586 177.300 0.128 0.000 1.228 222 P CA 0.496 63.717 63.100 0.201 0.000 0.786 222 P CB 2.012 33.889 31.700 0.295 0.000 0.927 223 G N 0.930 109.665 108.800 -0.108 0.000 2.367 223 G HA2 0.322 4.281 3.960 -0.001 0.000 0.272 223 G HA3 0.322 4.281 3.960 -0.001 0.000 0.272 223 G C -1.735 172.733 174.900 -0.721 0.000 1.271 223 G CA -0.791 43.917 45.100 -0.653 0.000 0.893 223 G HN 0.316 nan 8.290 nan 0.000 0.485 224 F N 0.416 120.240 119.950 -0.209 0.000 2.497 224 F HA 0.584 5.110 4.527 -0.001 0.000 0.331 224 F C 1.688 177.459 175.800 -0.049 0.000 1.060 224 F CA -0.176 57.735 58.000 -0.149 0.000 0.989 224 F CB 1.878 40.783 39.000 -0.159 0.000 1.245 224 F HN 0.694 nan 8.300 nan 0.000 0.486 225 G N 0.631 109.544 108.800 0.187 0.000 2.453 225 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.215 225 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.215 225 G C -0.985 173.957 174.900 0.071 0.000 1.201 225 G CA 0.711 45.880 45.100 0.114 0.000 0.784 225 G HN 0.465 nan 8.290 nan 0.000 0.545 226 P HA -0.048 nan 4.420 nan 0.000 0.221 226 P C 1.864 179.192 177.300 0.046 0.000 1.145 226 P CA 2.112 65.230 63.100 0.029 0.000 0.795 226 P CB -0.061 31.647 31.700 0.013 0.000 0.775 227 T N -3.836 110.769 114.554 0.085 0.000 3.252 227 T HA 0.301 4.650 4.350 -0.001 0.000 0.233 227 T C 1.945 176.680 174.700 0.058 0.000 0.975 227 T CA 0.622 62.770 62.100 0.080 0.000 1.318 227 T CB -1.113 67.831 68.868 0.126 0.000 1.014 227 T HN -0.083 nan 8.240 nan 0.000 0.418 228 A N 1.896 124.747 122.820 0.052 0.000 1.855 228 A HA 0.293 4.613 4.320 -0.001 0.000 0.215 228 A C 2.667 180.280 177.584 0.048 0.000 1.191 228 A CA 1.915 53.975 52.037 0.038 0.000 0.613 228 A CB -1.772 17.236 19.000 0.014 0.000 0.829 228 A HN 0.675 nan 8.150 nan 0.000 0.442 229 G N -0.311 108.523 108.800 0.057 0.000 2.514 229 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.217 229 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.217 229 G C 1.806 176.723 174.900 0.030 0.000 1.198 229 G CA 1.976 47.112 45.100 0.060 0.000 0.780 229 G HN 0.921 nan 8.290 nan 0.000 0.565 230 A N 1.028 123.856 122.820 0.013 0.000 1.940 230 A HA 0.192 4.511 4.320 -0.001 0.000 0.219 230 A C 2.824 180.418 177.584 0.016 0.000 1.176 230 A CA 2.456 54.491 52.037 -0.004 0.000 0.631 230 A CB -0.786 18.209 19.000 -0.008 0.000 0.814 230 A HN 0.925 nan 8.150 nan 0.000 0.446 231 A N -0.114 122.727 122.820 0.036 0.000 1.877 231 A HA -0.094 4.225 4.320 -0.001 0.000 0.216 231 A C 2.148 179.788 177.584 0.094 0.000 1.186 231 A CA 1.577 53.650 52.037 0.059 0.000 0.620 231 A CB -0.565 18.475 19.000 0.067 0.000 0.822 231 A HN 0.500 nan 8.150 nan 0.000 0.443 232 I N -0.426 120.188 120.570 0.073 0.000 2.202 232 I HA -0.243 3.926 4.170 -0.001 0.000 0.242 232 I C 2.915 179.073 176.117 0.069 0.000 1.091 232 I CA 1.075 62.417 61.300 0.069 0.000 1.368 232 I CB -0.273 37.754 38.000 0.045 0.000 1.058 232 I HN 0.352 nan 8.210 nan 0.000 0.410 233 A N -0.472 122.374 122.820 0.043 0.000 2.015 233 A HA -0.123 4.196 4.320 -0.001 0.000 0.219 233 A C 2.308 179.904 177.584 0.020 0.000 1.163 233 A CA 1.792 53.841 52.037 0.021 0.000 0.646 233 A CB -0.370 18.621 19.000 -0.015 0.000 0.806 233 A HN 0.392 nan 8.150 nan 0.000 0.448 234 S N -1.128 114.589 115.700 0.028 0.000 2.535 234 S HA 0.080 4.549 4.470 -0.001 0.000 0.214 234 S C 0.621 175.230 174.600 0.015 0.000 0.980 234 S CA -0.559 57.645 58.200 0.007 0.000 0.907 234 S CB -0.226 62.965 63.200 -0.015 0.000 0.790 234 S HN 0.678 nan 8.310 nan 0.000 0.510 235 H N 2.912 121.973 119.070 -0.015 0.000 3.034 235 H HA 0.032 4.588 4.556 -0.001 0.000 0.324 235 H C 0.744 176.063 175.328 -0.015 0.000 1.015 235 H CA 0.658 56.698 56.048 -0.013 0.000 1.429 235 H CB 0.610 30.364 29.762 -0.014 0.000 1.429 235 H HN 0.174 nan 8.280 nan 0.000 0.585 236 E N 3.150 123.312 120.200 -0.064 0.000 2.478 236 E HA -0.109 4.241 4.350 -0.001 0.000 0.198 236 E C 0.555 177.244 176.600 0.148 0.000 1.046 236 E CA 0.630 57.044 56.400 0.023 0.000 0.870 236 E CB 0.237 29.906 29.700 -0.051 0.000 0.818 236 E HN 0.565 nan 8.360 nan 0.000 0.527 237 D N -0.296 120.362 120.400 0.431 0.000 2.501 237 D HA 0.062 4.702 4.640 -0.001 0.000 0.224 237 D C -0.765 175.570 176.300 0.059 0.000 1.202 237 D CA -0.059 54.074 54.000 0.222 0.000 0.829 237 D CB 0.653 41.579 40.800 0.211 0.000 1.023 237 D HN -0.218 nan 8.370 nan 0.000 0.499 238 V N 1.531 121.491 119.914 0.078 0.000 2.407 238 V HA 0.172 4.291 4.120 -0.001 0.000 0.278 238 V C 0.875 176.959 176.094 -0.018 0.000 1.037 238 V CA -0.375 61.912 62.300 -0.021 0.000 0.900 238 V CB 1.788 33.606 31.823 -0.007 0.000 0.983 238 V HN 0.080 nan 8.190 nan 0.000 0.459 239 D N 3.304 123.669 120.400 -0.058 0.000 2.271 239 D HA 0.048 4.688 4.640 -0.001 0.000 0.206 239 D C 0.707 176.972 176.300 -0.057 0.000 0.967 239 D CA 0.768 54.733 54.000 -0.058 0.000 0.867 239 D CB 0.786 41.529 40.800 -0.094 0.000 0.960 239 D HN 0.541 nan 8.370 nan 0.000 0.509 240 K N 0.341 120.706 120.400 -0.057 0.000 2.543 240 K HA 0.388 4.707 4.320 -0.001 0.000 0.255 240 K C -2.054 174.527 176.600 -0.031 0.000 0.934 240 K CA -0.675 55.574 56.287 -0.064 0.000 0.810 240 K CB 2.905 35.335 32.500 -0.118 0.000 1.315 240 K HN -0.215 nan 8.250 nan 0.000 0.433 241 V N 3.178 123.080 119.914 -0.020 0.000 2.483 241 V HA 0.810 4.929 4.120 -0.001 0.000 0.297 241 V C -1.214 174.904 176.094 0.040 0.000 1.027 241 V CA -0.308 62.006 62.300 0.023 0.000 0.855 241 V CB 1.335 33.179 31.823 0.034 0.000 0.995 241 V HN 0.931 nan 8.190 nan 0.000 0.424 242 A N 7.008 129.873 122.820 0.074 0.000 2.253 242 A HA 0.723 5.042 4.320 -0.001 0.000 0.316 242 A C -0.992 176.682 177.584 0.149 0.000 1.327 242 A CA -0.370 51.721 52.037 0.090 0.000 0.917 242 A CB 0.285 19.350 19.000 0.108 0.000 1.162 242 A HN 0.983 nan 8.150 nan 0.000 0.535 243 F N 2.885 122.840 119.950 0.008 0.000 2.436 243 F HA 0.637 5.163 4.527 -0.001 0.000 0.340 243 F C -0.098 175.707 175.800 0.009 0.000 1.113 243 F CA -0.000 58.005 58.000 0.009 0.000 1.022 243 F CB 1.856 40.856 39.000 -0.000 0.000 1.128 243 F HN 0.391 nan 8.300 nan 0.000 0.466 244 T N 4.849 118.876 114.554 -0.878 0.000 2.812 244 T HA 0.789 5.138 4.350 -0.001 0.000 0.282 244 T C -0.062 174.055 174.700 -0.971 0.000 0.990 244 T CA -0.163 61.537 62.100 -0.668 0.000 0.960 244 T CB 1.113 69.807 68.868 -0.290 0.000 0.948 244 T HN 1.151 nan 8.240 nan 0.000 0.438 245 G N 1.893 110.313 108.800 -0.632 0.000 2.291 245 G HA2 0.275 4.235 3.960 -0.001 0.000 0.249 245 G HA3 0.275 4.235 3.960 -0.001 0.000 0.249 245 G C -0.280 174.531 174.900 -0.149 0.000 1.340 245 G CA -0.328 44.509 45.100 -0.438 0.000 1.017 245 G HN 1.116 nan 8.290 nan 0.000 0.470 246 S N -0.196 115.469 115.700 -0.058 0.000 2.573 246 S HA 0.296 4.765 4.470 -0.001 0.000 0.297 246 S C 1.620 176.333 174.600 0.189 0.000 1.280 246 S CA 1.457 59.681 58.200 0.040 0.000 1.061 246 S CB 0.658 63.882 63.200 0.040 0.000 0.812 246 S HN 1.318 nan 8.310 nan 0.000 0.500 247 T N 3.328 117.980 114.554 0.162 0.000 2.929 247 T HA -0.095 4.255 4.350 -0.001 0.000 0.271 247 T C 1.519 176.290 174.700 0.119 0.000 1.085 247 T CA 1.486 63.690 62.100 0.174 0.000 1.125 247 T CB -0.341 68.646 68.868 0.199 0.000 0.874 247 T HN 0.857 nan 8.240 nan 0.000 0.494 248 E N 0.555 120.815 120.200 0.101 0.000 2.031 248 E HA -0.130 4.219 4.350 -0.001 0.000 0.193 248 E C 1.831 178.435 176.600 0.007 0.000 0.994 248 E CA 0.979 57.409 56.400 0.050 0.000 0.800 248 E CB 0.000 29.730 29.700 0.050 0.000 0.752 248 E HN 0.259 nan 8.360 nan 0.000 0.447 249 I N 0.927 121.509 120.570 0.020 0.000 2.315 249 I HA -0.096 4.074 4.170 -0.001 0.000 0.248 249 I C 2.481 178.358 176.117 -0.400 0.000 1.117 249 I CA 1.285 62.492 61.300 -0.155 0.000 1.404 249 I CB -1.772 36.169 38.000 -0.099 0.000 1.071 249 I HN 0.206 nan 8.210 nan 0.000 0.419 250 G N 1.232 109.904 108.800 -0.214 0.000 2.505 250 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.220 250 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.220 250 G C 1.845 176.654 174.900 -0.151 0.000 1.145 250 G CA 0.588 45.585 45.100 -0.170 0.000 0.761 250 G HN 0.332 nan 8.290 nan 0.000 0.571 251 R N -0.118 120.328 120.500 -0.091 0.000 2.105 251 R HA -0.084 4.255 4.340 -0.001 0.000 0.239 251 R C 2.610 178.847 176.300 -0.106 0.000 1.135 251 R CA 1.421 57.476 56.100 -0.074 0.000 0.967 251 R CB -0.688 29.584 30.300 -0.047 0.000 0.861 251 R HN 0.393 nan 8.270 nan 0.000 0.442 252 V N 1.250 121.072 119.914 -0.154 0.000 2.427 252 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 252 V C 2.322 178.310 176.094 -0.177 0.000 1.051 252 V CA 1.262 63.469 62.300 -0.155 0.000 1.048 252 V CB -0.438 31.282 31.823 -0.171 0.000 0.666 252 V HN 0.158 nan 8.190 nan 0.000 0.456 253 I N 0.188 120.599 120.570 -0.265 0.000 2.163 253 I HA -0.249 3.920 4.170 -0.001 0.000 0.240 253 I C 2.577 178.626 176.117 -0.115 0.000 1.081 253 I CA 1.682 62.845 61.300 -0.230 0.000 1.353 253 I CB -1.370 36.429 38.000 -0.334 0.000 1.054 253 I HN 0.375 nan 8.210 nan 0.000 0.407 254 Q N 0.321 120.066 119.800 -0.092 0.000 2.152 254 Q HA -0.169 4.171 4.340 -0.001 0.000 0.206 254 Q C 2.238 178.209 176.000 -0.049 0.000 0.985 254 Q CA 1.978 57.749 55.803 -0.053 0.000 0.863 254 Q CB 0.094 28.807 28.738 -0.042 0.000 0.904 254 Q HN 0.346 nan 8.270 nan 0.000 0.422 255 V N -0.275 119.606 119.914 -0.056 0.000 2.500 255 V HA -0.058 4.061 4.120 -0.001 0.000 0.243 255 V C 2.140 178.208 176.094 -0.044 0.000 1.039 255 V CA 1.191 63.463 62.300 -0.046 0.000 1.053 255 V CB -0.681 31.115 31.823 -0.045 0.000 0.695 255 V HN 0.490 nan 8.190 nan 0.000 0.463 256 A N 0.317 123.106 122.820 -0.052 0.000 1.958 256 A HA -0.238 4.081 4.320 -0.001 0.000 0.221 256 A C 2.330 179.895 177.584 -0.033 0.000 1.178 256 A CA 2.529 54.539 52.037 -0.045 0.000 0.642 256 A CB -0.641 18.327 19.000 -0.054 0.000 0.816 256 A HN 0.587 nan 8.150 nan 0.000 0.453 257 A N -0.973 121.828 122.820 -0.032 0.000 1.903 257 A HA 0.288 4.608 4.320 -0.001 0.000 0.213 257 A C 2.410 179.980 177.584 -0.024 0.000 1.185 257 A CA 1.490 53.513 52.037 -0.023 0.000 0.628 257 A CB -1.276 17.711 19.000 -0.021 0.000 0.830 257 A HN 0.769 nan 8.150 nan 0.000 0.446 258 G N -0.620 108.163 108.800 -0.028 0.000 2.448 258 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.219 258 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.219 258 G C 1.520 176.405 174.900 -0.025 0.000 1.127 258 G CA 1.382 46.466 45.100 -0.027 0.000 0.766 258 G HN 0.498 nan 8.290 nan 0.000 0.552 259 S N 0.025 115.710 115.700 -0.026 0.000 2.517 259 S HA 0.068 4.537 4.470 -0.001 0.000 0.214 259 S C 2.415 177.000 174.600 -0.025 0.000 0.991 259 S CA 0.667 58.852 58.200 -0.026 0.000 0.906 259 S CB 0.310 63.493 63.200 -0.028 0.000 0.789 259 S HN 0.604 nan 8.310 nan 0.000 0.513 260 S N 3.620 119.306 115.700 -0.023 0.000 2.289 260 S HA 0.038 4.507 4.470 -0.001 0.000 0.193 260 S C 1.110 175.699 174.600 -0.017 0.000 1.002 260 S CA 0.778 58.965 58.200 -0.022 0.000 0.951 260 S CB -0.423 62.768 63.200 -0.015 0.000 0.920 260 S HN 0.537 nan 8.310 nan 0.000 0.502 261 N N 0.591 119.284 118.700 -0.010 0.000 2.232 261 N HA 0.251 4.990 4.740 -0.001 0.000 0.240 261 N C 0.025 175.529 175.510 -0.009 0.000 1.307 261 N CA -0.012 53.034 53.050 -0.006 0.000 0.859 261 N CB -0.371 38.119 38.487 0.006 0.000 1.260 261 N HN 0.511 nan 8.380 nan 0.000 0.501 262 L N 0.084 121.299 121.223 -0.014 0.000 3.865 262 L HA -0.284 4.055 4.340 -0.001 0.000 0.408 262 L C -0.152 176.706 176.870 -0.021 0.000 1.209 262 L CA 0.699 55.528 54.840 -0.018 0.000 0.940 262 L CB -1.670 40.379 42.059 -0.017 0.000 1.971 262 L HN 0.430 nan 8.230 nan 0.000 0.899 263 K N 0.135 120.524 120.400 -0.019 0.000 2.276 263 K HA 0.414 4.733 4.320 -0.001 0.000 0.259 263 K C 0.502 177.080 176.600 -0.037 0.000 1.001 263 K CA -0.742 55.529 56.287 -0.026 0.000 0.927 263 K CB 0.641 33.129 32.500 -0.019 0.000 0.969 263 K HN 0.095 nan 8.250 nan 0.000 0.490 264 R N 1.097 121.565 120.500 -0.053 0.000 2.484 264 R HA 0.066 4.405 4.340 -0.001 0.000 0.293 264 R C -0.974 175.286 176.300 -0.066 0.000 1.023 264 R CA -0.125 55.932 56.100 -0.070 0.000 1.037 264 R CB 0.405 30.642 30.300 -0.105 0.000 0.951 264 R HN 0.450 nan 8.270 nan 0.000 0.418 265 V N 3.982 123.863 119.914 -0.055 0.000 2.407 265 V HA 0.252 4.371 4.120 -0.001 0.000 0.291 265 V C 0.068 176.142 176.094 -0.035 0.000 1.018 265 V CA -0.787 61.492 62.300 -0.035 0.000 0.842 265 V CB 1.616 33.425 31.823 -0.023 0.000 0.996 265 V HN 0.915 nan 8.190 nan 0.000 0.426 266 T N 3.866 118.405 114.554 -0.026 0.000 2.855 266 T HA 0.864 5.213 4.350 -0.001 0.000 0.281 266 T C -0.819 173.908 174.700 0.045 0.000 1.007 266 T CA -0.667 61.422 62.100 -0.019 0.000 1.009 266 T CB 1.554 70.385 68.868 -0.061 0.000 0.983 266 T HN 0.364 nan 8.240 nan 0.000 0.455 267 L N 2.188 123.439 121.223 0.047 0.000 2.401 267 L HA 0.605 4.944 4.340 -0.001 0.000 0.266 267 L C -0.542 176.355 176.870 0.045 0.000 0.991 267 L CA -1.041 53.861 54.840 0.104 0.000 0.818 267 L CB 2.303 44.440 42.059 0.129 0.000 1.321 267 L HN 0.700 nan 8.230 nan 0.000 0.413 268 E N 4.889 125.102 120.200 0.022 0.000 2.267 268 E HA 0.516 4.865 4.350 -0.001 0.000 0.248 268 E C -1.037 175.543 176.600 -0.033 0.000 0.899 268 E CA -0.347 56.029 56.400 -0.040 0.000 0.764 268 E CB 2.174 31.830 29.700 -0.073 0.000 1.227 268 E HN 0.433 nan 8.360 nan 0.000 0.421 269 L N 0.225 121.466 121.223 0.030 0.000 2.421 269 L HA 0.691 5.030 4.340 -0.001 0.000 0.267 269 L C 1.239 178.143 176.870 0.056 0.000 1.036 269 L CA -1.176 53.712 54.840 0.080 0.000 0.829 269 L CB 0.527 42.686 42.059 0.167 0.000 1.437 269 L HN 0.465 nan 8.230 nan 0.000 0.488 270 G N -1.506 107.335 108.800 0.069 0.000 2.486 270 G HA2 0.556 4.515 3.960 -0.001 0.000 0.272 270 G HA3 0.556 4.515 3.960 -0.001 0.000 0.272 270 G C -0.318 174.306 174.900 -0.460 0.000 1.426 270 G CA 0.222 45.272 45.100 -0.083 0.000 1.058 270 G HN 0.898 nan 8.290 nan 0.000 0.531 271 G N -2.223 106.061 108.800 -0.861 0.000 2.619 271 G HA2 0.506 4.465 3.960 -0.001 0.000 0.305 271 G HA3 0.506 4.465 3.960 -0.001 0.000 0.305 271 G C -1.221 173.180 174.900 -0.831 0.000 1.330 271 G CA -0.381 44.028 45.100 -1.151 0.000 0.789 271 G HN 0.646 nan 8.290 nan 0.000 0.487 272 K N 0.376 120.610 120.400 -0.277 0.000 3.481 272 K HA 0.356 4.675 4.320 -0.001 0.000 0.166 272 K C -0.260 176.405 176.600 0.108 0.000 1.032 272 K CA -0.241 56.049 56.287 0.005 0.000 0.776 272 K CB 0.097 32.691 32.500 0.158 0.000 0.797 272 K HN 0.486 nan 8.250 nan 0.000 0.516 273 S N 3.369 119.135 115.700 0.111 0.000 2.546 273 S HA 0.120 4.590 4.470 -0.001 0.000 0.290 273 S C -2.280 172.467 174.600 0.245 0.000 1.262 273 S CA -0.551 57.765 58.200 0.193 0.000 1.083 273 S CB 0.140 63.508 63.200 0.280 0.000 0.859 273 S HN 0.326 nan 8.310 nan 0.000 0.495 274 P HA 0.212 nan 4.420 nan 0.000 0.292 274 P C -1.016 176.501 177.300 0.362 0.000 1.287 274 P CA -0.643 62.674 63.100 0.360 0.000 0.800 274 P CB 0.489 32.391 31.700 0.336 0.000 0.945 275 N N 3.708 122.643 118.700 0.391 0.000 2.485 275 N HA 0.326 5.065 4.740 -0.001 0.000 0.243 275 N C -0.691 175.037 175.510 0.364 0.000 0.987 275 N CA -0.635 52.662 53.050 0.412 0.000 0.940 275 N CB 0.233 38.909 38.487 0.314 0.000 1.122 275 N HN 0.322 nan 8.380 nan 0.000 0.509 276 I N 5.150 125.924 120.570 0.339 0.000 2.307 276 I HA 0.275 4.444 4.170 -0.001 0.000 0.289 276 I C -0.298 176.024 176.117 0.342 0.000 1.021 276 I CA -0.657 60.798 61.300 0.258 0.000 1.224 276 I CB 1.024 39.047 38.000 0.040 0.000 1.376 276 I HN 0.380 nan 8.210 nan 0.000 0.470 277 I N 6.953 127.716 120.570 0.322 0.000 2.328 277 I HA 0.339 4.509 4.170 -0.001 0.000 0.287 277 I C 0.154 176.433 176.117 0.269 0.000 1.012 277 I CA -0.492 60.938 61.300 0.218 0.000 1.195 277 I CB 0.886 38.777 38.000 -0.182 0.000 1.350 277 I HN 0.470 nan 8.210 nan 0.000 0.464 278 M N 3.850 123.617 119.600 0.278 0.000 2.247 278 M HA 0.207 4.686 4.480 -0.001 0.000 0.326 278 M C 1.637 178.003 176.300 0.110 0.000 1.134 278 M CA -0.172 55.262 55.300 0.223 0.000 1.136 278 M CB 0.793 33.521 32.600 0.213 0.000 1.454 278 M HN 0.651 nan 8.290 nan 0.000 0.467 279 S N 0.556 116.285 115.700 0.048 0.000 2.399 279 S HA -0.167 4.302 4.470 -0.001 0.000 0.231 279 S C 0.845 175.484 174.600 0.064 0.000 1.022 279 S CA 1.443 59.661 58.200 0.029 0.000 0.983 279 S CB -0.587 62.611 63.200 -0.003 0.000 0.803 279 S HN 0.767 nan 8.310 nan 0.000 0.480 280 D N 2.051 122.498 120.400 0.078 0.000 2.319 280 D HA 0.392 5.031 4.640 -0.001 0.000 0.230 280 D C 0.639 177.008 176.300 0.116 0.000 1.094 280 D CA 0.254 54.304 54.000 0.083 0.000 0.856 280 D CB -0.410 40.432 40.800 0.069 0.000 0.915 280 D HN 0.552 nan 8.370 nan 0.000 0.517 281 A N 0.335 123.244 122.820 0.149 0.000 2.280 281 A HA 0.279 4.598 4.320 -0.001 0.000 0.268 281 A C -0.027 177.681 177.584 0.207 0.000 1.111 281 A CA -0.456 51.710 52.037 0.214 0.000 0.814 281 A CB 0.205 19.368 19.000 0.272 0.000 1.093 281 A HN 0.121 nan 8.150 nan 0.000 0.498 282 D N 0.392 120.956 120.400 0.273 0.000 2.336 282 D HA 0.233 4.873 4.640 -0.001 0.000 0.249 282 D C 0.969 177.429 176.300 0.267 0.000 1.213 282 D CA -0.335 53.817 54.000 0.254 0.000 0.870 282 D CB 0.533 41.504 40.800 0.286 0.000 1.076 282 D HN 0.378 nan 8.370 nan 0.000 0.483 283 M N 3.617 123.336 119.600 0.198 0.000 2.082 283 M HA -0.200 4.279 4.480 -0.001 0.000 0.258 283 M C 0.972 177.370 176.300 0.163 0.000 1.071 283 M CA 1.873 57.286 55.300 0.188 0.000 1.103 283 M CB -0.417 32.263 32.600 0.132 0.000 1.307 283 M HN 0.417 nan 8.290 nan 0.000 0.409 284 D N -0.999 119.488 120.400 0.145 0.000 2.092 284 D HA -0.256 4.383 4.640 -0.001 0.000 0.193 284 D C 1.924 178.328 176.300 0.174 0.000 0.994 284 D CA 1.626 55.697 54.000 0.119 0.000 0.828 284 D CB -0.891 39.983 40.800 0.122 0.000 0.963 284 D HN 0.682 nan 8.370 nan 0.000 0.450 285 W N 1.754 123.093 121.300 0.064 0.000 2.355 285 W HA -0.158 4.501 4.660 -0.001 0.000 0.309 285 W C 2.191 178.754 176.519 0.074 0.000 1.206 285 W CA 1.609 59.009 57.345 0.092 0.000 1.284 285 W CB -0.060 29.492 29.460 0.154 0.000 1.145 285 W HN -0.027 nan 8.180 nan 0.000 0.502 286 A N 0.253 123.111 122.820 0.064 0.000 1.933 286 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 286 A C 2.018 179.538 177.584 -0.107 0.000 1.175 286 A CA 1.962 53.851 52.037 -0.247 0.000 0.628 286 A CB -1.068 17.944 19.000 0.021 0.000 0.814 286 A HN 0.163 nan 8.150 nan 0.000 0.444 287 V N -0.243 119.659 119.914 -0.020 0.000 2.358 287 V HA -0.177 3.942 4.120 -0.001 0.000 0.246 287 V C 2.563 178.511 176.094 -0.243 0.000 1.047 287 V CA 2.298 64.422 62.300 -0.294 0.000 1.035 287 V CB -0.494 31.091 31.823 -0.398 0.000 0.658 287 V HN 0.651 nan 8.190 nan 0.000 0.452 288 E N -0.445 119.621 120.200 -0.224 0.000 2.216 288 E HA -0.134 4.215 4.350 -0.001 0.000 0.192 288 E C 2.237 178.707 176.600 -0.217 0.000 0.988 288 E CA 0.823 57.102 56.400 -0.203 0.000 0.834 288 E CB -0.086 29.493 29.700 -0.202 0.000 0.772 288 E HN 0.431 nan 8.360 nan 0.000 0.479 289 Q N -0.622 118.926 119.800 -0.419 0.000 2.212 289 Q HA 0.134 4.473 4.340 -0.001 0.000 0.199 289 Q C 1.977 177.865 176.000 -0.187 0.000 0.950 289 Q CA 1.147 56.736 55.803 -0.357 0.000 0.863 289 Q CB -0.145 28.267 28.738 -0.543 0.000 0.944 289 Q HN 0.339 nan 8.270 nan 0.000 0.465 290 A N -0.158 122.533 122.820 -0.215 0.000 1.930 290 A HA -0.214 4.105 4.320 -0.001 0.000 0.217 290 A C 1.902 179.473 177.584 -0.020 0.000 1.175 290 A CA 1.817 53.797 52.037 -0.095 0.000 0.627 290 A CB -0.654 18.461 19.000 0.193 0.000 0.815 290 A HN 0.447 nan 8.150 nan 0.000 0.443 291 H N -1.568 117.486 119.070 -0.028 0.000 2.299 291 H HA -0.120 4.435 4.556 -0.001 0.000 0.302 291 H C 1.724 177.173 175.328 0.202 0.000 1.078 291 H CA 2.135 58.266 56.048 0.138 0.000 1.323 291 H CB -0.411 29.365 29.762 0.023 0.000 1.381 291 H HN 0.464 nan 8.280 nan 0.000 0.498 292 F N 0.825 120.782 119.950 0.012 0.000 2.095 292 F HA -0.224 4.302 4.527 -0.001 0.000 0.298 292 F C 2.551 178.267 175.800 -0.140 0.000 1.104 292 F CA 1.613 59.585 58.000 -0.047 0.000 1.232 292 F CB -0.671 38.256 39.000 -0.122 0.000 0.987 292 F HN 0.301 nan 8.300 nan 0.000 0.475 293 A N 0.232 122.801 122.820 -0.419 0.000 1.958 293 A HA -0.236 4.084 4.320 -0.001 0.000 0.221 293 A C 2.132 179.308 177.584 -0.679 0.000 1.178 293 A CA 2.223 53.700 52.037 -0.933 0.000 0.642 293 A CB -1.055 17.105 19.000 -1.400 0.000 0.816 293 A HN 0.620 nan 8.150 nan 0.000 0.453 294 L N -3.335 117.589 121.223 -0.498 0.000 2.286 294 L HA 0.308 4.648 4.340 -0.001 0.000 0.203 294 L C 1.836 178.378 176.870 -0.546 0.000 1.068 294 L CA 0.769 55.289 54.840 -0.532 0.000 0.811 294 L CB 0.083 41.741 42.059 -0.667 0.000 0.989 294 L HN 0.282 nan 8.230 nan 0.000 0.467 295 F N -0.957 118.795 119.950 -0.330 0.000 2.789 295 F HA 0.082 4.608 4.527 -0.001 0.000 0.300 295 F C 0.894 176.592 175.800 -0.169 0.000 1.132 295 F CA -0.202 57.629 58.000 -0.282 0.000 1.404 295 F CB -0.138 38.583 39.000 -0.465 0.000 1.114 295 F HN -0.071 nan 8.300 nan 0.000 0.584 296 F N 1.753 121.555 119.950 -0.246 0.000 2.572 296 F HA 0.015 4.541 4.527 -0.001 0.000 0.370 296 F C 1.270 176.984 175.800 -0.144 0.000 1.103 296 F CA -0.156 57.700 58.000 -0.239 0.000 1.286 296 F CB 0.228 38.848 39.000 -0.634 0.000 1.105 296 F HN 0.089 nan 8.300 nan 0.000 0.583 297 N N 3.306 121.477 118.700 -0.883 0.000 2.735 297 N HA -0.301 4.438 4.740 -0.001 0.000 0.248 297 N C -0.108 175.169 175.510 -0.390 0.000 1.083 297 N CA 1.407 53.988 53.050 -0.782 0.000 0.703 297 N CB -1.142 36.775 38.487 -0.950 0.000 1.005 297 N HN 0.779 nan 8.380 nan 0.000 0.550 298 Q N -2.301 117.373 119.800 -0.210 0.000 2.475 298 Q HA -0.170 4.169 4.340 -0.001 0.000 0.280 298 Q C 1.196 177.128 176.000 -0.113 0.000 1.234 298 Q CA 2.089 57.841 55.803 -0.086 0.000 0.873 298 Q CB -1.771 26.926 28.738 -0.068 0.000 1.256 298 Q HN 1.097 nan 8.270 nan 0.000 0.475 299 G N -1.098 107.583 108.800 -0.198 0.000 2.189 299 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.267 299 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.267 299 G C 0.180 174.782 174.900 -0.496 0.000 0.975 299 G CA 0.488 45.413 45.100 -0.291 0.000 0.644 299 G HN 0.490 nan 8.290 nan 0.000 0.537 300 Q N 0.102 119.599 119.800 -0.506 0.000 3.247 300 Q HA 0.457 4.796 4.340 -0.001 0.000 0.326 300 Q C -0.125 175.389 176.000 -0.809 0.000 1.402 300 Q CA -0.060 55.217 55.803 -0.876 0.000 0.994 300 Q CB 0.193 28.889 28.738 -0.069 0.000 1.647 300 Q HN 0.426 nan 8.270 nan 0.000 0.523 301 C N -0.331 118.504 119.300 -0.775 0.000 2.441 301 C HA 0.221 4.681 4.460 -0.001 0.000 0.318 301 C C 1.886 176.790 174.990 -0.143 0.000 1.222 301 C CA -1.060 57.839 59.018 -0.199 0.000 1.474 301 C CB 0.675 28.439 27.740 0.040 0.000 2.125 301 C HN 0.846 nan 8.230 nan 0.000 0.479 302 C N 0.027 119.414 119.300 0.145 0.000 2.422 302 C HA -0.091 4.369 4.460 -0.001 0.000 0.279 302 C C 1.956 177.080 174.990 0.223 0.000 1.305 302 C CA 1.037 60.197 59.018 0.236 0.000 1.757 302 C CB -2.172 25.718 27.740 0.250 0.000 1.962 302 C HN 0.958 nan 8.230 nan 0.000 0.499 303 C N 0.898 120.407 119.300 0.348 0.000 2.778 303 C HA 0.717 5.176 4.460 -0.001 0.000 0.294 303 C C 1.331 176.585 174.990 0.440 0.000 1.331 303 C CA -0.895 58.397 59.018 0.457 0.000 1.741 303 C CB -2.279 25.929 27.740 0.780 0.000 2.106 303 C HN 0.629 nan 8.230 nan 0.000 0.603 304 A N 1.276 124.220 122.820 0.206 0.000 2.565 304 A HA 0.429 4.748 4.320 -0.001 0.000 0.237 304 A C 1.175 178.798 177.584 0.065 0.000 1.053 304 A CA 0.880 52.948 52.037 0.051 0.000 0.755 304 A CB -0.127 18.788 19.000 -0.142 0.000 0.980 304 A HN 1.106 nan 8.150 nan 0.000 0.506 305 G N 1.775 110.505 108.800 -0.116 0.000 3.102 305 G HA2 0.315 4.275 3.960 -0.001 0.000 0.264 305 G HA3 0.315 4.275 3.960 -0.001 0.000 0.264 305 G C 0.912 175.745 174.900 -0.111 0.000 0.788 305 G CA 0.363 45.416 45.100 -0.080 0.000 2.029 305 G HN 1.085 nan 8.290 nan 0.000 0.608 306 S N 0.320 115.980 115.700 -0.067 0.000 2.607 306 S HA 0.126 4.595 4.470 -0.001 0.000 0.224 306 S C 1.055 175.618 174.600 -0.061 0.000 0.969 306 S CA -0.039 58.099 58.200 -0.102 0.000 0.927 306 S CB 0.459 63.602 63.200 -0.096 0.000 0.772 306 S HN 0.406 nan 8.310 nan 0.000 0.533 307 R N 2.010 122.509 120.500 -0.001 0.000 2.352 307 R HA 0.304 4.643 4.340 -0.001 0.000 0.304 307 R C -1.152 175.145 176.300 -0.005 0.000 1.104 307 R CA -0.075 56.000 56.100 -0.042 0.000 0.991 307 R CB 1.196 31.537 30.300 0.068 0.000 1.140 307 R HN 0.130 nan 8.270 nan 0.000 0.540 308 T N 4.305 118.813 114.554 -0.077 0.000 2.794 308 T HA 0.276 4.626 4.350 -0.001 0.000 0.304 308 T C -0.251 174.438 174.700 -0.018 0.000 0.973 308 T CA -0.127 61.985 62.100 0.019 0.000 0.972 308 T CB -0.094 68.811 68.868 0.062 0.000 0.952 308 T HN 0.175 nan 8.240 nan 0.000 0.509 309 F N 2.642 122.664 119.950 0.121 0.000 2.424 309 F HA 0.478 5.004 4.527 -0.001 0.000 0.356 309 F C 0.341 176.345 175.800 0.339 0.000 1.110 309 F CA -0.764 57.380 58.000 0.240 0.000 1.161 309 F CB 0.899 39.946 39.000 0.077 0.000 1.115 309 F HN 0.186 nan 8.300 nan 0.000 0.507 310 V N 3.481 123.679 119.914 0.474 0.000 2.604 310 V HA 0.289 4.409 4.120 -0.001 0.000 0.305 310 V C -0.163 175.844 176.094 -0.144 0.000 1.043 310 V CA -1.152 61.233 62.300 0.142 0.000 0.888 310 V CB 1.677 33.403 31.823 -0.161 0.000 0.995 310 V HN 0.567 nan 8.190 nan 0.000 0.429 311 Q N 2.836 122.309 119.800 -0.545 0.000 2.337 311 Q HA 0.048 4.387 4.340 -0.001 0.000 0.270 311 Q C 1.465 177.285 176.000 -0.300 0.000 1.002 311 Q CA 0.248 55.533 55.803 -0.864 0.000 0.888 311 Q CB 1.144 29.515 28.738 -0.612 0.000 1.222 311 Q HN 1.019 nan 8.270 nan 0.000 0.400 312 E N 2.801 122.835 120.200 -0.275 0.000 2.136 312 E HA -0.308 4.041 4.350 -0.001 0.000 0.202 312 E C 0.339 176.927 176.600 -0.019 0.000 1.019 312 E CA 1.908 58.245 56.400 -0.105 0.000 0.819 312 E CB -0.040 29.588 29.700 -0.119 0.000 0.739 312 E HN 0.563 nan 8.360 nan 0.000 0.458 313 D N 0.878 121.247 120.400 -0.053 0.000 2.263 313 D HA -0.099 4.540 4.640 -0.001 0.000 0.208 313 D C 1.968 178.284 176.300 0.027 0.000 0.971 313 D CA 1.556 55.550 54.000 -0.010 0.000 0.867 313 D CB -0.021 40.766 40.800 -0.021 0.000 0.929 313 D HN 0.651 nan 8.370 nan 0.000 0.492 314 I N -4.140 116.451 120.570 0.035 0.000 4.240 314 I HA 0.177 4.347 4.170 -0.001 0.000 0.331 314 I C 1.760 177.948 176.117 0.119 0.000 1.381 314 I CA -0.579 60.763 61.300 0.070 0.000 1.136 314 I CB -0.140 37.894 38.000 0.058 0.000 1.137 314 I HN -0.245 nan 8.210 nan 0.000 0.411 315 Y N 2.801 123.103 120.300 0.003 0.000 2.069 315 Y HA -0.358 4.191 4.550 -0.001 0.000 0.278 315 Y C 2.060 178.019 175.900 0.099 0.000 1.175 315 Y CA 2.465 60.591 58.100 0.042 0.000 1.134 315 Y CB -0.090 38.373 38.460 0.005 0.000 0.965 315 Y HN 0.214 nan 8.280 nan 0.000 0.498 316 D N -0.055 120.454 120.400 0.182 0.000 2.106 316 D HA -0.235 4.404 4.640 -0.001 0.000 0.191 316 D C 2.125 178.432 176.300 0.012 0.000 0.997 316 D CA 1.870 55.925 54.000 0.091 0.000 0.834 316 D CB -0.513 40.355 40.800 0.113 0.000 0.956 316 D HN 0.617 nan 8.370 nan 0.000 0.448 317 E N -0.757 119.468 120.200 0.042 0.000 2.072 317 E HA -0.178 4.171 4.350 -0.001 0.000 0.191 317 E C 2.095 178.701 176.600 0.010 0.000 0.985 317 E CA 0.504 56.919 56.400 0.025 0.000 0.801 317 E CB -0.241 29.487 29.700 0.047 0.000 0.750 317 E HN 0.228 nan 8.360 nan 0.000 0.452 318 F N 0.944 120.830 119.950 -0.106 0.000 2.095 318 F HA -0.236 4.290 4.527 -0.001 0.000 0.298 318 F C 2.131 177.827 175.800 -0.173 0.000 1.104 318 F CA 1.444 59.368 58.000 -0.127 0.000 1.232 318 F CB -0.347 38.579 39.000 -0.123 0.000 0.987 318 F HN -0.114 nan 8.300 nan 0.000 0.475 319 V N 0.442 120.291 119.914 -0.108 0.000 2.252 319 V HA -0.374 3.746 4.120 -0.001 0.000 0.249 319 V C 2.402 178.395 176.094 -0.169 0.000 1.056 319 V CA 2.444 64.624 62.300 -0.199 0.000 1.022 319 V CB -0.792 30.848 31.823 -0.304 0.000 0.641 319 V HN 0.384 nan 8.190 nan 0.000 0.445 320 E N -0.266 119.856 120.200 -0.129 0.000 2.038 320 E HA -0.263 4.086 4.350 -0.001 0.000 0.195 320 E C 2.480 178.994 176.600 -0.144 0.000 1.000 320 E CA 1.679 58.016 56.400 -0.105 0.000 0.803 320 E CB -0.103 29.557 29.700 -0.067 0.000 0.750 320 E HN 0.561 nan 8.360 nan 0.000 0.448 321 R N -0.048 120.339 120.500 -0.189 0.000 2.096 321 R HA -0.051 4.288 4.340 -0.001 0.000 0.235 321 R C 2.541 178.667 176.300 -0.290 0.000 1.127 321 R CA 1.323 57.286 56.100 -0.227 0.000 0.968 321 R CB -0.145 30.007 30.300 -0.247 0.000 0.861 321 R HN -0.006 nan 8.270 nan 0.000 0.440 322 S N 0.350 115.828 115.700 -0.370 0.000 2.368 322 S HA -0.073 4.396 4.470 -0.001 0.000 0.224 322 S C 2.119 176.617 174.600 -0.170 0.000 1.029 322 S CA 1.031 59.039 58.200 -0.319 0.000 0.988 322 S CB -0.088 62.893 63.200 -0.366 0.000 0.838 322 S HN 0.053 nan 8.310 nan 0.000 0.462 323 V N 2.156 121.984 119.914 -0.144 0.000 2.343 323 V HA -0.227 3.892 4.120 -0.001 0.000 0.247 323 V C 2.658 178.677 176.094 -0.125 0.000 1.051 323 V CA 1.774 64.011 62.300 -0.103 0.000 1.036 323 V CB -1.217 30.555 31.823 -0.084 0.000 0.654 323 V HN 0.537 nan 8.190 nan 0.000 0.451 324 A N 0.306 123.041 122.820 -0.142 0.000 1.858 324 A HA -0.266 4.054 4.320 -0.001 0.000 0.216 324 A C 2.311 179.783 177.584 -0.187 0.000 1.190 324 A CA 2.211 54.162 52.037 -0.143 0.000 0.617 324 A CB -0.597 18.323 19.000 -0.132 0.000 0.827 324 A HN 0.435 nan 8.150 nan 0.000 0.443 325 R N 0.353 120.703 120.500 -0.251 0.000 2.091 325 R HA -0.074 4.265 4.340 -0.001 0.000 0.238 325 R C 2.143 178.187 176.300 -0.426 0.000 1.136 325 R CA 2.084 57.954 56.100 -0.383 0.000 0.959 325 R CB -1.203 28.789 30.300 -0.513 0.000 0.856 325 R HN 0.419 nan 8.270 nan 0.000 0.437 326 A N 0.391 123.036 122.820 -0.291 0.000 1.908 326 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 326 A C 2.073 179.538 177.584 -0.197 0.000 1.181 326 A CA 1.922 53.825 52.037 -0.223 0.000 0.627 326 A CB -0.414 18.494 19.000 -0.153 0.000 0.818 326 A HN 0.401 nan 8.150 nan 0.000 0.445 327 K N 0.142 120.448 120.400 -0.157 0.000 2.288 327 K HA -0.057 4.262 4.320 -0.001 0.000 0.201 327 K C 2.144 178.675 176.600 -0.115 0.000 1.048 327 K CA 1.211 57.428 56.287 -0.118 0.000 0.956 327 K CB -0.041 32.402 32.500 -0.096 0.000 0.746 327 K HN 0.655 nan 8.250 nan 0.000 0.461 328 S N 0.400 116.014 115.700 -0.143 0.000 2.527 328 S HA -0.022 4.448 4.470 -0.001 0.000 0.222 328 S C 0.886 175.417 174.600 -0.116 0.000 0.985 328 S CA -0.238 57.887 58.200 -0.125 0.000 0.921 328 S CB -0.075 63.040 63.200 -0.142 0.000 0.772 328 S HN 0.133 nan 8.310 nan 0.000 0.529 329 R N 1.758 122.178 120.500 -0.134 0.000 2.484 329 R HA 0.207 4.546 4.340 -0.001 0.000 0.293 329 R C -1.035 175.237 176.300 -0.048 0.000 1.023 329 R CA -0.073 55.978 56.100 -0.081 0.000 1.037 329 R CB 0.267 30.520 30.300 -0.077 0.000 0.951 329 R HN 0.178 nan 8.270 nan 0.000 0.418 330 V N 6.181 126.083 119.914 -0.020 0.000 2.432 330 V HA 0.135 4.254 4.120 -0.001 0.000 0.271 330 V C 0.121 176.220 176.094 0.008 0.000 1.046 330 V CA -0.403 61.889 62.300 -0.014 0.000 0.945 330 V CB 1.376 33.193 31.823 -0.010 0.000 0.992 330 V HN 0.475 nan 8.190 nan 0.000 0.471 331 V N 5.014 124.927 119.914 -0.002 0.000 2.427 331 V HA 0.978 5.097 4.120 -0.001 0.000 0.286 331 V C 0.684 176.732 176.094 -0.077 0.000 1.034 331 V CA 0.692 63.007 62.300 0.025 0.000 0.893 331 V CB 0.893 32.748 31.823 0.055 0.000 0.982 331 V HN 1.173 nan 8.190 nan 0.000 0.452 332 G N 3.847 112.596 108.800 -0.084 0.000 2.360 332 G HA2 0.097 4.056 3.960 -0.001 0.000 0.276 332 G HA3 0.097 4.056 3.960 -0.001 0.000 0.276 332 G C -0.819 174.001 174.900 -0.132 0.000 1.256 332 G CA -0.845 44.068 45.100 -0.312 0.000 0.890 332 G HN 0.633 nan 8.290 nan 0.000 0.486 333 N N 2.089 120.717 118.700 -0.120 0.000 2.332 333 N HA 0.136 4.875 4.740 -0.001 0.000 0.274 333 N C -0.648 174.914 175.510 0.086 0.000 1.351 333 N CA -0.810 52.262 53.050 0.037 0.000 0.875 333 N CB 1.213 39.725 38.487 0.041 0.000 1.140 333 N HN 0.124 nan 8.380 nan 0.000 0.489 334 P HA -0.136 nan 4.420 nan 0.000 0.221 334 P C 0.700 177.935 177.300 -0.109 0.000 1.145 334 P CA 1.268 64.345 63.100 -0.039 0.000 0.795 334 P CB -0.056 31.548 31.700 -0.160 0.000 0.775 335 F N -0.454 119.537 119.950 0.068 0.000 2.797 335 F HA 0.080 4.606 4.527 -0.001 0.000 0.302 335 F C 1.244 177.060 175.800 0.026 0.000 1.130 335 F CA -0.057 57.962 58.000 0.032 0.000 1.387 335 F CB 0.032 39.009 39.000 -0.039 0.000 1.107 335 F HN -0.133 nan 8.300 nan 0.000 0.577 336 D N 0.251 120.751 120.400 0.167 0.000 2.295 336 D HA 0.013 4.652 4.640 -0.001 0.000 0.248 336 D C 1.210 177.570 176.300 0.100 0.000 1.154 336 D CA 0.219 54.282 54.000 0.105 0.000 0.857 336 D CB 1.460 42.292 40.800 0.054 0.000 1.117 336 D HN 0.162 nan 8.370 nan 0.000 0.468 337 S N 4.212 119.971 115.700 0.100 0.000 2.392 337 S HA -0.219 4.250 4.470 -0.001 0.000 0.232 337 S C 1.437 176.080 174.600 0.073 0.000 1.041 337 S CA 0.927 59.187 58.200 0.100 0.000 1.026 337 S CB -0.072 63.176 63.200 0.081 0.000 0.845 337 S HN 0.532 nan 8.310 nan 0.000 0.465 338 K N 1.251 121.682 120.400 0.051 0.000 2.486 338 K HA 0.101 4.421 4.320 -0.001 0.000 0.194 338 K C -0.008 176.613 176.600 0.036 0.000 1.033 338 K CA 0.292 56.600 56.287 0.035 0.000 1.004 338 K CB -0.239 32.271 32.500 0.016 0.000 0.798 338 K HN 0.357 nan 8.250 nan 0.000 0.495 339 T N 1.847 116.429 114.554 0.048 0.000 2.853 339 T HA 0.034 4.384 4.350 -0.001 0.000 0.298 339 T C 0.996 175.735 174.700 0.065 0.000 0.978 339 T CA 0.271 62.401 62.100 0.049 0.000 1.152 339 T CB 1.078 69.980 68.868 0.057 0.000 0.914 339 T HN 0.178 nan 8.240 nan 0.000 0.539 340 E N 1.841 122.080 120.200 0.064 0.000 2.201 340 E HA 0.034 4.383 4.350 -0.001 0.000 0.193 340 E C 0.815 177.474 176.600 0.099 0.000 0.957 340 E CA 0.279 56.731 56.400 0.086 0.000 0.858 340 E CB 0.536 30.279 29.700 0.072 0.000 0.816 340 E HN 0.590 nan 8.360 nan 0.000 0.475 341 Q N 0.292 120.147 119.800 0.092 0.000 2.263 341 Q HA 0.390 4.729 4.340 -0.001 0.000 0.266 341 Q C -0.488 175.604 176.000 0.153 0.000 1.002 341 Q CA -0.537 55.327 55.803 0.100 0.000 0.790 341 Q CB 1.812 30.612 28.738 0.102 0.000 1.272 341 Q HN 0.112 nan 8.270 nan 0.000 0.435 342 G N 3.300 112.170 108.800 0.117 0.000 2.504 342 G HA2 0.500 4.459 3.960 -0.001 0.000 0.257 342 G HA3 0.500 4.459 3.960 -0.001 0.000 0.257 342 G C -2.455 172.464 174.900 0.031 0.000 1.451 342 G CA -0.777 44.431 45.100 0.180 0.000 1.059 342 G HN 0.584 nan 8.290 nan 0.000 0.550 343 P HA 0.229 nan 4.420 nan 0.000 0.278 343 P C -0.727 176.396 177.300 -0.296 0.000 1.258 343 P CA -0.566 62.050 63.100 -0.806 0.000 0.811 343 P CB 1.062 32.021 31.700 -1.236 0.000 1.063 344 Q N 0.243 119.954 119.800 -0.148 0.000 2.524 344 Q HA 0.007 4.347 4.340 -0.001 0.000 0.246 344 Q C 1.389 177.328 176.000 -0.102 0.000 1.063 344 Q CA -0.065 55.711 55.803 -0.045 0.000 0.945 344 Q CB 0.038 28.821 28.738 0.075 0.000 1.292 344 Q HN 0.239 nan 8.270 nan 0.000 0.518 345 V N 0.651 120.427 119.914 -0.230 0.000 2.407 345 V HA -0.195 3.924 4.120 -0.001 0.000 0.248 345 V C 0.297 176.206 176.094 -0.308 0.000 1.055 345 V CA 2.664 64.728 62.300 -0.393 0.000 1.049 345 V CB -0.054 31.157 31.823 -1.021 0.000 0.662 345 V HN 0.991 nan 8.190 nan 0.000 0.455 346 D N -3.375 116.798 120.400 -0.379 0.000 2.692 346 D HA 0.129 4.768 4.640 -0.001 0.000 0.303 346 D C 0.607 176.274 176.300 -1.056 0.000 1.278 346 D CA -0.174 53.541 54.000 -0.474 0.000 0.852 346 D CB 0.690 41.266 40.800 -0.373 0.000 1.375 346 D HN -0.031 nan 8.370 nan 0.000 0.453 347 E N -0.676 118.799 120.200 -1.209 0.000 2.077 347 E HA -0.137 4.213 4.350 -0.001 0.000 0.193 347 E C 1.285 177.681 176.600 -0.340 0.000 0.989 347 E CA 1.893 57.730 56.400 -0.940 0.000 0.800 347 E CB -0.047 29.393 29.700 -0.432 0.000 0.746 347 E HN 0.541 nan 8.360 nan 0.000 0.452 348 T N 1.069 115.461 114.554 -0.269 0.000 2.635 348 T HA -0.197 4.152 4.350 -0.001 0.000 0.267 348 T C 1.790 176.419 174.700 -0.119 0.000 1.040 348 T CA 1.248 63.255 62.100 -0.155 0.000 1.156 348 T CB -0.199 68.588 68.868 -0.136 0.000 0.863 348 T HN 0.117 nan 8.240 nan 0.000 0.430 349 Q N -0.083 119.628 119.800 -0.148 0.000 2.119 349 Q HA 0.050 4.389 4.340 -0.001 0.000 0.201 349 Q C 2.034 178.030 176.000 -0.006 0.000 0.972 349 Q CA 0.906 56.677 55.803 -0.054 0.000 0.847 349 Q CB -0.687 28.001 28.738 -0.082 0.000 0.903 349 Q HN 0.560 nan 8.270 nan 0.000 0.433 350 F N 2.196 122.006 119.950 -0.234 0.000 2.065 350 F HA -0.246 4.281 4.527 -0.001 0.000 0.298 350 F C 1.859 177.599 175.800 -0.101 0.000 1.112 350 F CA 1.725 59.616 58.000 -0.182 0.000 1.212 350 F CB 0.021 38.810 39.000 -0.351 0.000 0.975 350 F HN 0.002 nan 8.300 nan 0.000 0.476 351 K N -0.169 120.150 120.400 -0.135 0.000 2.167 351 K HA -0.134 4.185 4.320 -0.001 0.000 0.203 351 K C 2.107 178.597 176.600 -0.183 0.000 1.052 351 K CA 1.092 57.258 56.287 -0.201 0.000 0.956 351 K CB -0.243 32.205 32.500 -0.087 0.000 0.735 351 K HN 0.236 nan 8.250 nan 0.000 0.451 352 K N 1.403 121.725 120.400 -0.131 0.000 2.097 352 K HA -0.062 4.257 4.320 -0.001 0.000 0.206 352 K C 1.978 178.528 176.600 -0.084 0.000 1.049 352 K CA 1.016 57.219 56.287 -0.140 0.000 0.933 352 K CB 0.009 32.482 32.500 -0.046 0.000 0.717 352 K HN 0.041 nan 8.250 nan 0.000 0.442 353 I N 0.585 121.156 120.570 0.001 0.000 2.353 353 I HA -0.243 3.926 4.170 -0.001 0.000 0.248 353 I C 1.953 178.077 176.117 0.010 0.000 1.119 353 I CA 0.826 62.183 61.300 0.095 0.000 1.417 353 I CB -0.085 37.958 38.000 0.072 0.000 1.078 353 I HN 0.124 nan 8.210 nan 0.000 0.421 354 L N 0.384 121.512 121.223 -0.159 0.000 2.046 354 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 354 L C 2.637 179.456 176.870 -0.085 0.000 1.077 354 L CA 1.575 56.312 54.840 -0.172 0.000 0.747 354 L CB -1.053 40.802 42.059 -0.340 0.000 0.896 354 L HN 0.326 nan 8.230 nan 0.000 0.432 355 G N -1.429 107.294 108.800 -0.129 0.000 2.422 355 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.218 355 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.218 355 G C 1.404 176.253 174.900 -0.085 0.000 1.140 355 G CA 0.401 45.418 45.100 -0.138 0.000 0.775 355 G HN 0.319 nan 8.290 nan 0.000 0.545 356 Y N 0.395 120.694 120.300 -0.002 0.000 2.220 356 Y HA 0.016 4.566 4.550 -0.001 0.000 0.291 356 Y C 2.778 178.708 175.900 0.050 0.000 1.129 356 Y CA 0.386 58.497 58.100 0.018 0.000 1.161 356 Y CB 0.011 38.490 38.460 0.031 0.000 0.997 356 Y HN 0.106 nan 8.280 nan 0.000 0.522 357 I N 0.182 120.899 120.570 0.245 0.000 2.208 357 I HA -0.382 3.787 4.170 -0.001 0.000 0.245 357 I C 2.436 178.694 176.117 0.236 0.000 1.097 357 I CA 1.535 63.005 61.300 0.284 0.000 1.363 357 I CB -0.561 37.551 38.000 0.187 0.000 1.051 357 I HN 0.395 nan 8.210 nan 0.000 0.413 358 N N 0.619 119.393 118.700 0.123 0.000 2.061 358 N HA -0.197 4.542 4.740 -0.001 0.000 0.193 358 N C 1.751 177.302 175.510 0.070 0.000 1.030 358 N CA 2.219 55.318 53.050 0.081 0.000 0.856 358 N CB 0.029 38.530 38.487 0.024 0.000 1.023 358 N HN 0.293 nan 8.380 nan 0.000 0.424 359 T N -0.189 114.404 114.554 0.065 0.000 2.708 359 T HA -0.078 4.271 4.350 -0.001 0.000 0.266 359 T C 1.788 176.470 174.700 -0.031 0.000 1.037 359 T CA 1.398 63.521 62.100 0.039 0.000 1.146 359 T CB -0.828 68.101 68.868 0.102 0.000 0.865 359 T HN 0.481 nan 8.240 nan 0.000 0.435 360 G N 1.400 110.140 108.800 -0.099 0.000 2.446 360 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.217 360 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.217 360 G C 1.643 176.325 174.900 -0.363 0.000 1.168 360 G CA 1.094 45.906 45.100 -0.479 0.000 0.771 360 G HN 0.411 nan 8.290 nan 0.000 0.551 361 K N -0.159 120.240 120.400 -0.001 0.000 2.032 361 K HA -0.096 4.223 4.320 -0.001 0.000 0.209 361 K C 2.854 179.482 176.600 0.046 0.000 1.048 361 K CA 1.477 57.850 56.287 0.143 0.000 0.927 361 K CB -0.105 32.519 32.500 0.206 0.000 0.712 361 K HN 0.169 nan 8.250 nan 0.000 0.441 362 Q N 0.669 120.482 119.800 0.021 0.000 2.135 362 Q HA -0.200 4.139 4.340 -0.001 0.000 0.204 362 Q C 1.695 177.688 176.000 -0.011 0.000 0.981 362 Q CA 1.507 57.315 55.803 0.009 0.000 0.856 362 Q CB -0.135 28.607 28.738 0.006 0.000 0.902 362 Q HN 0.496 nan 8.270 nan 0.000 0.425 363 E N -0.610 119.564 120.200 -0.044 0.000 2.418 363 E HA 0.019 4.368 4.350 -0.001 0.000 0.197 363 E C 0.715 177.285 176.600 -0.049 0.000 1.026 363 E CA 0.430 56.796 56.400 -0.056 0.000 0.862 363 E CB 0.078 29.720 29.700 -0.097 0.000 0.799 363 E HN 0.538 nan 8.360 nan 0.000 0.518 364 G N 0.937 109.716 108.800 -0.036 0.000 2.131 364 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.223 364 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.223 364 G C 0.178 175.074 174.900 -0.007 0.000 0.990 364 G CA -0.034 45.063 45.100 -0.005 0.000 0.671 364 G HN 0.431 nan 8.290 nan 0.000 0.521 365 A N -0.008 122.765 122.820 -0.080 0.000 2.363 365 A HA 0.673 4.992 4.320 -0.001 0.000 0.270 365 A C 0.621 178.348 177.584 0.239 0.000 1.121 365 A CA 0.291 52.282 52.037 -0.076 0.000 0.800 365 A CB 0.475 19.165 19.000 -0.518 0.000 1.052 365 A HN 0.575 nan 8.150 nan 0.000 0.493 366 K N 2.749 123.334 120.400 0.308 0.000 2.228 366 K HA 0.219 4.538 4.320 -0.001 0.000 0.284 366 K C -0.442 176.368 176.600 0.349 0.000 1.088 366 K CA -0.317 56.145 56.287 0.291 0.000 0.941 366 K CB -0.212 32.400 32.500 0.186 0.000 1.158 366 K HN 0.608 nan 8.250 nan 0.000 0.438 367 L N 5.590 126.966 121.223 0.255 0.000 2.534 367 L HA 0.020 4.359 4.340 -0.001 0.000 0.271 367 L C 0.187 176.986 176.870 -0.118 0.000 1.178 367 L CA 0.740 55.458 54.840 -0.203 0.000 0.907 367 L CB 0.447 42.385 42.059 -0.202 0.000 1.164 367 L HN 0.793 nan 8.230 nan 0.000 0.482 368 L N 4.817 125.938 121.223 -0.170 0.000 2.537 368 L HA 0.237 4.576 4.340 -0.001 0.000 0.224 368 L C 0.279 177.093 176.870 -0.095 0.000 1.065 368 L CA 0.256 55.048 54.840 -0.081 0.000 0.860 368 L CB 0.277 42.311 42.059 -0.042 0.000 1.086 368 L HN 0.863 nan 8.230 nan 0.000 0.482 369 C N -3.356 115.860 119.300 -0.139 0.000 3.253 369 C HA 0.711 5.170 4.460 -0.001 0.000 0.342 369 C C 0.752 175.673 174.990 -0.114 0.000 1.306 369 C CA -0.609 58.347 59.018 -0.103 0.000 1.207 369 C CB 0.778 28.471 27.740 -0.078 0.000 1.479 369 C HN 0.621 nan 8.230 nan 0.000 0.469 370 G N 0.888 109.644 108.800 -0.073 0.000 2.566 370 G HA2 0.337 4.296 3.960 -0.001 0.000 0.280 370 G HA3 0.337 4.296 3.960 -0.001 0.000 0.280 370 G C 1.367 176.227 174.900 -0.066 0.000 1.225 370 G CA 2.520 47.591 45.100 -0.048 0.000 0.966 370 G HN 3.343 nan 8.290 nan 0.000 0.560 371 G N -2.533 106.236 108.800 -0.051 0.000 2.218 371 G HA2 0.433 4.393 3.960 -0.001 0.000 0.216 371 G HA3 0.433 4.393 3.960 -0.001 0.000 0.216 371 G C 1.395 176.292 174.900 -0.006 0.000 0.994 371 G CA 0.988 46.057 45.100 -0.052 0.000 0.637 371 G HN 2.545 nan 8.290 nan 0.000 0.505 372 G N -0.818 107.988 108.800 0.009 0.000 3.086 372 G HA2 0.680 4.639 3.960 -0.001 0.000 0.282 372 G HA3 0.680 4.639 3.960 -0.001 0.000 0.282 372 G C -0.298 174.640 174.900 0.062 0.000 1.343 372 G CA -0.734 44.380 45.100 0.022 0.000 0.895 372 G HN 0.629 nan 8.290 nan 0.000 0.557 373 I N 1.062 121.691 120.570 0.099 0.000 2.692 373 I HA 0.281 4.450 4.170 -0.001 0.000 0.284 373 I C 1.322 177.543 176.117 0.174 0.000 1.159 373 I CA 0.016 61.440 61.300 0.207 0.000 1.423 373 I CB 1.647 39.812 38.000 0.276 0.000 1.380 373 I HN 0.521 nan 8.210 nan 0.000 0.580 374 A N 4.931 127.885 122.820 0.223 0.000 2.348 374 A HA 0.706 5.026 4.320 -0.001 0.000 0.224 374 A C 0.623 178.268 177.584 0.102 0.000 1.227 374 A CA 0.363 52.488 52.037 0.147 0.000 0.885 374 A CB 0.131 19.229 19.000 0.163 0.000 0.933 374 A HN 0.805 nan 8.150 nan 0.000 0.506 375 A N -0.184 122.732 122.820 0.160 0.000 2.589 375 A HA 0.529 4.848 4.320 -0.001 0.000 0.296 375 A C -0.231 177.417 177.584 0.107 0.000 1.062 375 A CA 0.056 52.141 52.037 0.081 0.000 0.686 375 A CB 0.622 19.639 19.000 0.028 0.000 1.282 375 A HN 0.112 nan 8.150 nan 0.000 0.404 376 D N 0.288 120.717 120.400 0.047 0.000 2.323 376 D HA 0.018 4.657 4.640 -0.001 0.000 0.209 376 D C 0.640 176.953 176.300 0.022 0.000 0.973 376 D CA 0.533 54.559 54.000 0.044 0.000 0.874 376 D CB 0.377 41.190 40.800 0.022 0.000 0.930 376 D HN 0.435 nan 8.370 nan 0.000 0.521 377 R N 0.095 120.608 120.500 0.021 0.000 2.494 377 R HA 0.492 4.831 4.340 -0.001 0.000 0.305 377 R C 0.011 176.358 176.300 0.078 0.000 0.959 377 R CA 0.203 56.302 56.100 -0.002 0.000 0.864 377 R CB 1.655 31.946 30.300 -0.016 0.000 1.159 377 R HN 0.144 nan 8.270 nan 0.000 0.446 378 G N 1.995 110.712 108.800 -0.139 0.000 2.781 378 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.683 378 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.683 378 G C -0.823 173.749 174.900 -0.547 0.000 1.390 378 G CA -0.598 44.276 45.100 -0.377 0.000 0.850 378 G HN 0.694 nan 8.290 nan 0.000 0.557 379 Y N -0.142 119.777 120.300 -0.636 0.000 2.903 379 Y HA 0.478 5.027 4.550 -0.001 0.000 0.387 379 Y C 0.829 176.486 175.900 -0.406 0.000 1.189 379 Y CA -0.759 56.871 58.100 -0.783 0.000 1.856 379 Y CB -0.177 37.886 38.460 -0.661 0.000 1.917 379 Y HN 0.321 nan 8.280 nan 0.000 0.448 380 F N 1.580 121.566 119.950 0.061 0.000 2.410 380 F HA 0.454 4.980 4.527 -0.001 0.000 0.348 380 F C 0.178 176.133 175.800 0.259 0.000 1.106 380 F CA -0.612 57.468 58.000 0.133 0.000 1.163 380 F CB 0.646 39.673 39.000 0.046 0.000 1.129 380 F HN 0.053 nan 8.300 nan 0.000 0.516 381 I N 2.510 123.297 120.570 0.362 0.000 2.545 381 I HA 0.213 4.382 4.170 -0.001 0.000 0.292 381 I C -0.572 175.659 176.117 0.189 0.000 1.040 381 I CA -0.969 60.492 61.300 0.268 0.000 1.068 381 I CB 2.021 40.148 38.000 0.211 0.000 1.251 381 I HN 0.514 nan 8.210 nan 0.000 0.424 382 Q N 6.018 125.899 119.800 0.134 0.000 2.330 382 Q HA 0.123 4.462 4.340 -0.001 0.000 0.279 382 Q C -2.254 173.801 176.000 0.093 0.000 1.024 382 Q CA -1.493 54.361 55.803 0.085 0.000 0.900 382 Q CB -0.020 28.744 28.738 0.044 0.000 1.221 382 Q HN 0.222 nan 8.270 nan 0.000 0.396 383 P HA -0.037 nan 4.420 nan 0.000 0.260 383 P C -1.016 176.350 177.300 0.110 0.000 1.207 383 P CA 0.470 63.621 63.100 0.085 0.000 0.780 383 P CB 0.419 31.971 31.700 -0.248 0.000 0.789 384 T N 3.010 117.700 114.554 0.226 0.000 2.867 384 T HA 0.485 4.834 4.350 -0.001 0.000 0.282 384 T C -0.185 174.579 174.700 0.107 0.000 1.000 384 T CA -0.403 61.737 62.100 0.067 0.000 1.042 384 T CB 0.966 69.831 68.868 -0.004 0.000 0.973 384 T HN -0.033 nan 8.240 nan 0.000 0.465 385 V N 3.584 123.464 119.914 -0.055 0.000 2.569 385 V HA 0.472 4.592 4.120 -0.001 0.000 0.301 385 V C -1.004 174.993 176.094 -0.161 0.000 1.044 385 V CA -0.943 61.354 62.300 -0.004 0.000 0.874 385 V CB 1.265 33.126 31.823 0.064 0.000 1.002 385 V HN 0.826 nan 8.190 nan 0.000 0.424 386 F N 2.204 122.187 119.950 0.055 0.000 2.422 386 F HA 0.802 5.328 4.527 -0.001 0.000 0.333 386 F C 1.001 176.837 175.800 0.061 0.000 1.095 386 F CA -0.094 57.935 58.000 0.048 0.000 1.038 386 F CB 2.061 41.081 39.000 0.033 0.000 1.156 386 F HN 0.603 nan 8.300 nan 0.000 0.483 387 G N 0.249 109.227 108.800 0.296 0.000 2.644 387 G HA2 0.355 4.315 3.960 -0.001 0.000 0.307 387 G HA3 0.355 4.315 3.960 -0.001 0.000 0.307 387 G C -0.642 174.418 174.900 0.266 0.000 1.250 387 G CA -0.683 44.575 45.100 0.264 0.000 0.996 387 G HN 0.689 nan 8.290 nan 0.000 0.489 388 D N -1.295 119.297 120.400 0.320 0.000 2.882 388 D HA -0.167 4.472 4.640 -0.001 0.000 0.229 388 D C 0.871 177.217 176.300 0.077 0.000 1.167 388 D CA 0.738 54.826 54.000 0.146 0.000 0.759 388 D CB -1.199 39.666 40.800 0.107 0.000 1.088 388 D HN 0.217 nan 8.370 nan 0.000 0.425 389 V N 0.682 120.644 119.914 0.080 0.000 2.872 389 V HA -0.070 4.049 4.120 -0.001 0.000 0.307 389 V C 0.985 177.065 176.094 -0.023 0.000 1.072 389 V CA 0.526 62.827 62.300 0.001 0.000 1.148 389 V CB 1.375 33.185 31.823 -0.022 0.000 0.954 389 V HN 0.061 nan 8.190 nan 0.000 0.490 390 Q N 2.026 121.806 119.800 -0.034 0.000 2.257 390 Q HA 0.313 4.652 4.340 -0.001 0.000 0.262 390 Q C 0.460 176.454 176.000 -0.009 0.000 0.997 390 Q CA -0.749 55.045 55.803 -0.015 0.000 0.873 390 Q CB 1.553 30.284 28.738 -0.012 0.000 1.312 390 Q HN 0.659 nan 8.270 nan 0.000 0.450 391 D N 1.337 121.751 120.400 0.024 0.000 2.117 391 D HA -0.112 4.527 4.640 -0.001 0.000 0.197 391 D C 1.542 177.858 176.300 0.027 0.000 0.987 391 D CA 1.653 55.681 54.000 0.047 0.000 0.829 391 D CB -0.077 40.772 40.800 0.082 0.000 0.961 391 D HN 0.837 nan 8.370 nan 0.000 0.460 392 G N -0.114 108.695 108.800 0.016 0.000 2.598 392 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.215 392 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.215 392 G C 0.784 175.681 174.900 -0.005 0.000 1.131 392 G CA -0.089 45.016 45.100 0.009 0.000 0.785 392 G HN 0.177 nan 8.290 nan 0.000 0.539 393 M N 0.700 120.287 119.600 -0.020 0.000 2.245 393 M HA 0.105 4.585 4.480 -0.001 0.000 0.344 393 M C 1.817 178.096 176.300 -0.036 0.000 1.170 393 M CA -0.073 55.201 55.300 -0.043 0.000 1.135 393 M CB 1.020 33.569 32.600 -0.084 0.000 1.574 393 M HN -0.055 nan 8.290 nan 0.000 0.452 394 T N 2.948 117.485 114.554 -0.028 0.000 2.759 394 T HA -0.128 4.221 4.350 -0.001 0.000 0.269 394 T C 1.533 176.201 174.700 -0.053 0.000 1.042 394 T CA 1.700 63.798 62.100 -0.003 0.000 1.140 394 T CB -0.453 68.446 68.868 0.053 0.000 0.864 394 T HN 0.757 nan 8.240 nan 0.000 0.455 395 I N -0.231 120.281 120.570 -0.096 0.000 2.756 395 I HA 0.125 4.294 4.170 -0.001 0.000 0.262 395 I C 2.258 178.304 176.117 -0.118 0.000 1.225 395 I CA 1.032 62.242 61.300 -0.150 0.000 1.472 395 I CB -0.392 37.496 38.000 -0.187 0.000 1.094 395 I HN 0.076 nan 8.210 nan 0.000 0.454 396 A N 0.873 123.645 122.820 -0.080 0.000 2.308 396 A HA 0.206 4.526 4.320 -0.001 0.000 0.217 396 A C 2.071 179.658 177.584 0.006 0.000 1.216 396 A CA 0.077 52.088 52.037 -0.044 0.000 0.864 396 A CB -0.089 18.886 19.000 -0.042 0.000 0.902 396 A HN 0.456 nan 8.150 nan 0.000 0.499 397 K N -0.257 120.144 120.400 0.001 0.000 2.424 397 K HA 0.159 4.479 4.320 -0.001 0.000 0.200 397 K C -0.239 176.403 176.600 0.070 0.000 1.279 397 K CA 0.162 56.476 56.287 0.046 0.000 0.918 397 K CB 0.588 33.107 32.500 0.032 0.000 1.287 397 K HN 0.407 nan 8.250 nan 0.000 0.502 398 E N 2.206 122.401 120.200 -0.008 0.000 2.231 398 E HA 0.114 4.463 4.350 -0.001 0.000 0.277 398 E C -0.923 175.578 176.600 -0.165 0.000 0.999 398 E CA -0.366 56.016 56.400 -0.031 0.000 0.827 398 E CB 1.730 31.403 29.700 -0.045 0.000 1.101 398 E HN 0.037 nan 8.360 nan 0.000 0.393 399 E N 2.892 123.066 120.200 -0.044 0.000 2.194 399 E HA 0.088 4.437 4.350 -0.001 0.000 0.284 399 E C 0.049 176.578 176.600 -0.117 0.000 1.035 399 E CA -0.002 56.355 56.400 -0.072 0.000 0.836 399 E CB 0.576 30.277 29.700 0.002 0.000 1.070 399 E HN 0.528 nan 8.360 nan 0.000 0.401 400 I N 4.054 124.511 120.570 -0.187 0.000 2.584 400 I HA 0.026 4.195 4.170 -0.001 0.000 0.255 400 I C 0.343 176.619 176.117 0.265 0.000 1.145 400 I CA 0.150 61.408 61.300 -0.070 0.000 1.462 400 I CB -0.006 37.931 38.000 -0.104 0.000 1.102 400 I HN 0.713 nan 8.210 nan 0.000 0.433 401 F N 1.184 121.127 119.950 -0.011 0.000 2.999 401 F HA -0.173 4.354 4.527 -0.001 0.000 0.291 401 F C 0.422 176.248 175.800 0.044 0.000 0.824 401 F CA 0.543 58.565 58.000 0.036 0.000 1.255 401 F CB -1.348 37.724 39.000 0.121 0.000 1.333 401 F HN 0.130 nan 8.300 nan 0.000 0.502 402 G N -0.672 108.147 108.800 0.033 0.000 2.866 402 G HA2 0.666 4.625 3.960 -0.001 0.000 0.289 402 G HA3 0.666 4.625 3.960 -0.001 0.000 0.289 402 G C -2.943 171.912 174.900 -0.076 0.000 1.396 402 G CA -0.759 44.352 45.100 0.018 0.000 0.848 402 G HN -0.165 nan 8.290 nan 0.000 0.515 403 P HA 0.258 nan 4.420 nan 0.000 0.225 403 P C -0.553 176.796 177.300 0.083 0.000 1.768 403 P CA -0.081 63.067 63.100 0.080 0.000 0.943 403 P CB 0.138 32.044 31.700 0.344 0.000 1.936 404 V N 2.479 122.307 119.914 -0.142 0.000 2.407 404 V HA 0.386 4.506 4.120 -0.001 0.000 0.291 404 V C 0.267 176.255 176.094 -0.177 0.000 1.018 404 V CA -0.679 61.595 62.300 -0.043 0.000 0.842 404 V CB 2.012 33.874 31.823 0.065 0.000 0.996 404 V HN 0.264 nan 8.190 nan 0.000 0.426 405 M N 4.152 123.695 119.600 -0.095 0.000 2.238 405 M HA 0.579 5.058 4.480 -0.001 0.000 0.350 405 M C -0.836 175.498 176.300 0.058 0.000 1.138 405 M CA -0.393 54.840 55.300 -0.110 0.000 1.040 405 M CB 1.498 34.101 32.600 0.005 0.000 1.639 405 M HN 0.653 nan 8.290 nan 0.000 0.451 406 Q N 5.030 124.838 119.800 0.013 0.000 2.333 406 Q HA 0.591 4.930 4.340 -0.001 0.000 0.265 406 Q C -1.371 174.643 176.000 0.023 0.000 0.989 406 Q CA 0.040 55.870 55.803 0.045 0.000 0.842 406 Q CB 1.820 30.543 28.738 -0.025 0.000 1.262 406 Q HN 0.698 nan 8.270 nan 0.000 0.451 407 I N 4.018 124.640 120.570 0.087 0.000 2.382 407 I HA 0.384 4.553 4.170 -0.001 0.000 0.286 407 I C -1.027 175.199 176.117 0.182 0.000 1.002 407 I CA -0.852 60.520 61.300 0.119 0.000 1.135 407 I CB 0.842 38.929 38.000 0.145 0.000 1.288 407 I HN 0.312 nan 8.210 nan 0.000 0.448 408 L N 6.128 127.390 121.223 0.064 0.000 2.330 408 L HA 0.522 4.862 4.340 -0.001 0.000 0.271 408 L C -0.034 176.957 176.870 0.203 0.000 1.013 408 L CA -0.627 54.220 54.840 0.013 0.000 0.816 408 L CB 1.327 43.157 42.059 -0.381 0.000 1.287 408 L HN 0.523 nan 8.230 nan 0.000 0.435 409 K N 1.486 121.917 120.400 0.052 0.000 2.183 409 K HA 0.730 5.049 4.320 -0.001 0.000 0.274 409 K C -1.034 175.703 176.600 0.229 0.000 1.009 409 K CA -0.359 55.892 56.287 -0.059 0.000 0.888 409 K CB 1.078 33.324 32.500 -0.423 0.000 1.078 409 K HN 0.514 nan 8.250 nan 0.000 0.459 410 F N 0.254 120.264 119.950 0.100 0.000 2.664 410 F HA 0.508 5.034 4.527 -0.001 0.000 0.317 410 F C 0.055 175.892 175.800 0.060 0.000 1.108 410 F CA -1.050 57.014 58.000 0.108 0.000 0.957 410 F CB 1.929 41.036 39.000 0.178 0.000 1.365 410 F HN 0.610 nan 8.300 nan 0.000 0.475 411 K N -0.180 120.312 120.400 0.153 0.000 2.353 411 K HA 0.217 4.536 4.320 -0.001 0.000 0.206 411 K C 0.056 176.731 176.600 0.125 0.000 1.191 411 K CA 0.929 57.226 56.287 0.017 0.000 0.897 411 K CB 0.481 33.002 32.500 0.036 0.000 1.283 411 K HN 0.904 nan 8.250 nan 0.000 0.477 412 T N -1.797 112.905 114.554 0.247 0.000 2.918 412 T HA 0.286 4.635 4.350 -0.001 0.000 0.286 412 T C 1.126 175.978 174.700 0.254 0.000 1.026 412 T CA -0.859 61.357 62.100 0.192 0.000 1.031 412 T CB 1.556 70.484 68.868 0.101 0.000 1.046 412 T HN 0.192 nan 8.240 nan 0.000 0.479 413 I N 0.602 121.264 120.570 0.152 0.000 2.394 413 I HA -0.105 4.064 4.170 -0.001 0.000 0.251 413 I C 1.958 178.141 176.117 0.109 0.000 1.136 413 I CA 1.471 62.836 61.300 0.108 0.000 1.425 413 I CB 0.020 37.993 38.000 -0.045 0.000 1.079 413 I HN 0.783 nan 8.210 nan 0.000 0.425 414 E N 0.453 120.712 120.200 0.098 0.000 2.152 414 E HA -0.237 4.112 4.350 -0.001 0.000 0.192 414 E C 1.940 178.569 176.600 0.048 0.000 0.983 414 E CA 0.988 57.462 56.400 0.124 0.000 0.818 414 E CB -0.236 29.526 29.700 0.103 0.000 0.758 414 E HN 0.522 nan 8.360 nan 0.000 0.467 415 E N 0.823 121.051 120.200 0.047 0.000 2.047 415 E HA -0.158 4.191 4.350 -0.001 0.000 0.191 415 E C 2.067 178.624 176.600 -0.072 0.000 0.987 415 E CA 1.063 57.481 56.400 0.029 0.000 0.799 415 E CB 0.023 29.783 29.700 0.101 0.000 0.752 415 E HN 0.194 nan 8.360 nan 0.000 0.449 416 V N 0.533 120.323 119.914 -0.206 0.000 2.515 416 V HA -0.170 3.949 4.120 -0.001 0.000 0.250 416 V C 2.305 178.098 176.094 -0.502 0.000 1.058 416 V CA 1.246 63.193 62.300 -0.588 0.000 1.064 416 V CB 0.063 31.127 31.823 -1.265 0.000 0.675 416 V HN 0.207 nan 8.190 nan 0.000 0.461 417 V N 0.820 120.572 119.914 -0.270 0.000 2.295 417 V HA -0.171 3.948 4.120 -0.001 0.000 0.246 417 V C 2.677 178.668 176.094 -0.171 0.000 1.049 417 V CA 2.243 64.424 62.300 -0.200 0.000 1.024 417 V CB -1.435 30.331 31.823 -0.095 0.000 0.648 417 V HN 0.632 nan 8.190 nan 0.000 0.447 418 G N -0.352 108.377 108.800 -0.118 0.000 2.421 418 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.216 418 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.216 418 G C 1.749 176.601 174.900 -0.079 0.000 1.171 418 G CA 0.649 45.704 45.100 -0.075 0.000 0.775 418 G HN 0.442 nan 8.290 nan 0.000 0.543 419 R N 0.447 120.879 120.500 -0.113 0.000 2.115 419 R HA 0.130 4.469 4.340 -0.001 0.000 0.230 419 R C 2.972 179.217 176.300 -0.093 0.000 1.111 419 R CA 0.960 57.031 56.100 -0.049 0.000 0.976 419 R CB -0.272 30.049 30.300 0.035 0.000 0.870 419 R HN 0.350 nan 8.270 nan 0.000 0.445 420 A N 1.493 124.097 122.820 -0.359 0.000 1.898 420 A HA -0.126 4.193 4.320 -0.001 0.000 0.216 420 A C 1.669 179.206 177.584 -0.078 0.000 1.181 420 A CA 1.290 53.148 52.037 -0.299 0.000 0.620 420 A CB -0.283 18.436 19.000 -0.467 0.000 0.819 420 A HN 0.205 nan 8.150 nan 0.000 0.442 421 N N 0.354 119.002 118.700 -0.087 0.000 2.494 421 N HA -0.062 4.677 4.740 -0.001 0.000 0.182 421 N C 0.226 175.738 175.510 0.002 0.000 1.076 421 N CA 0.277 53.308 53.050 -0.033 0.000 0.908 421 N CB -0.423 38.036 38.487 -0.048 0.000 0.967 421 N HN 0.355 nan 8.380 nan 0.000 0.449 422 N N 1.184 119.889 118.700 0.008 0.000 2.819 422 N HA 0.017 4.756 4.740 -0.001 0.000 0.284 422 N C -1.263 174.279 175.510 0.053 0.000 1.196 422 N CA 0.227 53.293 53.050 0.027 0.000 1.114 422 N CB -0.263 38.244 38.487 0.032 0.000 1.437 422 N HN -0.077 nan 8.380 nan 0.000 0.518 423 S N -0.100 115.627 115.700 0.044 0.000 2.565 423 S HA 0.182 4.651 4.470 -0.001 0.000 0.274 423 S C 0.931 175.526 174.600 -0.009 0.000 1.144 423 S CA -0.334 57.896 58.200 0.050 0.000 0.849 423 S CB 0.189 63.477 63.200 0.146 0.000 1.103 423 S HN 0.439 nan 8.310 nan 0.000 0.455 424 T N 0.789 115.262 114.554 -0.135 0.000 3.072 424 T HA 0.173 4.523 4.350 -0.001 0.000 0.266 424 T C 0.741 175.298 174.700 -0.239 0.000 1.127 424 T CA 0.773 62.728 62.100 -0.241 0.000 1.107 424 T CB -0.551 68.081 68.868 -0.394 0.000 0.910 424 T HN 0.536 nan 8.240 nan 0.000 0.513 425 Y N 0.372 120.698 120.300 0.044 0.000 2.436 425 Y HA 0.587 5.137 4.550 -0.001 0.000 0.336 425 Y C 1.586 177.520 175.900 0.056 0.000 1.318 425 Y CA -0.667 57.463 58.100 0.050 0.000 1.493 425 Y CB 1.192 39.686 38.460 0.056 0.000 1.547 425 Y HN 0.082 nan 8.280 nan 0.000 0.549 426 G N -0.296 108.654 108.800 0.250 0.000 4.820 426 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.223 426 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.223 426 G C -0.089 174.808 174.900 -0.005 0.000 1.029 426 G CA -0.306 44.868 45.100 0.123 0.000 1.144 426 G HN 0.451 nan 8.290 nan 0.000 0.618 427 L N 0.798 122.032 121.223 0.019 0.000 2.023 427 L HA 0.754 5.094 4.340 -0.001 0.000 0.205 427 L C 1.199 178.006 176.870 -0.105 0.000 1.073 427 L CA 2.469 57.279 54.840 -0.049 0.000 0.745 427 L CB -0.179 41.880 42.059 0.001 0.000 0.900 427 L HN 0.545 nan 8.230 nan 0.000 0.435 428 A N -2.172 120.620 122.820 -0.047 0.000 2.583 428 A HA 0.909 5.228 4.320 -0.001 0.000 0.289 428 A C -1.406 176.146 177.584 -0.052 0.000 1.151 428 A CA -0.081 51.885 52.037 -0.119 0.000 0.695 428 A CB 1.050 20.065 19.000 0.024 0.000 1.290 428 A HN 0.557 nan 8.150 nan 0.000 0.419 429 A N -1.306 121.459 122.820 -0.091 0.000 2.586 429 A HA 0.958 5.278 4.320 -0.001 0.000 0.291 429 A C -0.761 176.891 177.584 0.113 0.000 1.062 429 A CA 0.128 52.195 52.037 0.049 0.000 0.666 429 A CB 0.525 19.500 19.000 -0.043 0.000 1.281 429 A HN 2.673 nan 8.150 nan 0.000 0.421 430 A N -0.111 122.869 122.820 0.267 0.000 2.549 430 A HA 0.797 5.116 4.320 -0.001 0.000 0.297 430 A C -1.446 176.317 177.584 0.298 0.000 1.061 430 A CA -0.458 51.781 52.037 0.336 0.000 0.690 430 A CB 1.532 20.928 19.000 0.660 0.000 1.287 430 A HN 1.824 nan 8.150 nan 0.000 0.402 431 V N 0.937 120.960 119.914 0.181 0.000 2.709 431 V HA 0.630 4.749 4.120 -0.001 0.000 0.308 431 V C -1.512 174.622 176.094 0.066 0.000 1.062 431 V CA -0.331 62.075 62.300 0.176 0.000 0.901 431 V CB 1.637 33.511 31.823 0.084 0.000 1.003 431 V HN 0.726 nan 8.190 nan 0.000 0.425 432 F N 2.389 122.445 119.950 0.176 0.000 2.445 432 F HA 0.764 5.290 4.527 -0.001 0.000 0.348 432 F C 0.256 176.154 175.800 0.164 0.000 1.125 432 F CA -0.199 57.916 58.000 0.192 0.000 0.983 432 F CB 2.113 41.234 39.000 0.201 0.000 1.198 432 F HN 0.539 nan 8.300 nan 0.000 0.436 433 T N 1.867 116.558 114.554 0.228 0.000 2.775 433 T HA 0.291 4.641 4.350 -0.001 0.000 0.320 433 T C 0.016 174.788 174.700 0.120 0.000 1.597 433 T CA -0.673 61.531 62.100 0.173 0.000 1.022 433 T CB 1.539 70.490 68.868 0.139 0.000 1.485 433 T HN 0.635 nan 8.240 nan 0.000 0.494 434 K N 0.613 121.073 120.400 0.101 0.000 2.353 434 K HA 0.201 4.520 4.320 -0.001 0.000 0.195 434 K C -0.214 176.415 176.600 0.048 0.000 1.031 434 K CA -0.098 56.229 56.287 0.068 0.000 1.079 434 K CB 0.314 32.852 32.500 0.065 0.000 0.857 434 K HN 0.498 nan 8.250 nan 0.000 0.535 435 D N 0.546 120.978 120.400 0.054 0.000 2.256 435 D HA 0.050 4.689 4.640 -0.001 0.000 0.250 435 D C 0.693 177.017 176.300 0.040 0.000 1.093 435 D CA -0.313 53.711 54.000 0.041 0.000 0.882 435 D CB 1.205 42.029 40.800 0.039 0.000 1.185 435 D HN -0.178 nan 8.370 nan 0.000 0.437 436 L N 3.428 124.670 121.223 0.031 0.000 2.049 436 L HA 0.011 4.350 4.340 -0.001 0.000 0.203 436 L C 1.293 178.188 176.870 0.041 0.000 1.074 436 L CA 1.691 56.549 54.840 0.029 0.000 0.749 436 L CB -0.366 41.706 42.059 0.022 0.000 0.907 436 L HN 0.499 nan 8.230 nan 0.000 0.439 437 D N -0.289 120.135 120.400 0.040 0.000 2.144 437 D HA -0.157 4.482 4.640 -0.001 0.000 0.200 437 D C 2.135 178.489 176.300 0.090 0.000 0.978 437 D CA 1.118 55.151 54.000 0.056 0.000 0.833 437 D CB -0.001 40.817 40.800 0.030 0.000 0.961 437 D HN 0.371 nan 8.370 nan 0.000 0.470 438 K N 0.686 121.123 120.400 0.061 0.000 2.026 438 K HA -0.051 4.269 4.320 -0.001 0.000 0.208 438 K C 2.153 178.836 176.600 0.139 0.000 1.048 438 K CA 1.144 57.481 56.287 0.082 0.000 0.929 438 K CB -0.072 32.460 32.500 0.055 0.000 0.713 438 K HN 0.013 nan 8.250 nan 0.000 0.439 439 A N 2.029 124.903 122.820 0.092 0.000 1.877 439 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 439 A C 1.890 179.512 177.584 0.062 0.000 1.186 439 A CA 1.614 53.692 52.037 0.067 0.000 0.620 439 A CB -0.490 18.532 19.000 0.037 0.000 0.822 439 A HN 0.222 nan 8.150 nan 0.000 0.443 440 N N -1.420 117.322 118.700 0.069 0.000 2.142 440 N HA -0.167 4.572 4.740 -0.001 0.000 0.186 440 N C 1.624 177.177 175.510 0.073 0.000 1.023 440 N CA 1.695 54.778 53.050 0.055 0.000 0.852 440 N CB -0.641 37.878 38.487 0.054 0.000 0.998 440 N HN 0.661 nan 8.380 nan 0.000 0.424 441 Y N 1.535 121.830 120.300 -0.008 0.000 2.081 441 Y HA -0.163 4.386 4.550 -0.001 0.000 0.280 441 Y C 2.261 178.148 175.900 -0.023 0.000 1.163 441 Y CA 1.612 59.705 58.100 -0.011 0.000 1.135 441 Y CB -0.490 37.968 38.460 -0.004 0.000 0.970 441 Y HN -0.018 nan 8.280 nan 0.000 0.498 442 L N -0.296 120.991 121.223 0.106 0.000 2.072 442 L HA -0.174 4.165 4.340 -0.001 0.000 0.205 442 L C 2.804 179.624 176.870 -0.083 0.000 1.079 442 L CA 1.365 56.197 54.840 -0.012 0.000 0.752 442 L CB -0.746 41.368 42.059 0.092 0.000 0.906 442 L HN 0.404 nan 8.230 nan 0.000 0.436 443 S N -0.869 114.801 115.700 -0.050 0.000 2.419 443 S HA -0.315 4.154 4.470 -0.001 0.000 0.235 443 S C 1.873 176.410 174.600 -0.105 0.000 1.019 443 S CA 1.649 59.801 58.200 -0.080 0.000 0.982 443 S CB -0.350 62.814 63.200 -0.059 0.000 0.789 443 S HN 0.556 nan 8.310 nan 0.000 0.490 444 Q N 0.769 120.500 119.800 -0.115 0.000 2.165 444 Q HA 0.214 4.553 4.340 -0.001 0.000 0.197 444 Q C 2.273 178.178 176.000 -0.159 0.000 0.952 444 Q CA 0.805 56.536 55.803 -0.120 0.000 0.848 444 Q CB -0.417 28.256 28.738 -0.108 0.000 0.931 444 Q HN 0.669 nan 8.270 nan 0.000 0.470 445 A N 0.938 123.605 122.820 -0.256 0.000 2.015 445 A HA 0.056 4.376 4.320 -0.001 0.000 0.219 445 A C 1.052 178.526 177.584 -0.184 0.000 1.163 445 A CA 0.297 52.165 52.037 -0.282 0.000 0.646 445 A CB -0.352 18.342 19.000 -0.510 0.000 0.806 445 A HN 0.371 nan 8.150 nan 0.000 0.448 446 L N 0.932 122.056 121.223 -0.165 0.000 2.410 446 L HA 0.073 4.412 4.340 -0.001 0.000 0.273 446 L C 0.057 176.855 176.870 -0.119 0.000 1.144 446 L CA -0.209 54.548 54.840 -0.137 0.000 0.863 446 L CB 0.783 42.760 42.059 -0.137 0.000 1.140 446 L HN 0.414 nan 8.230 nan 0.000 0.463 447 Q N 3.769 123.525 119.800 -0.073 0.000 3.026 447 Q HA 0.399 4.739 4.340 -0.001 0.000 0.258 447 Q C -0.304 175.594 176.000 -0.169 0.000 1.388 447 Q CA -0.265 55.545 55.803 0.012 0.000 1.000 447 Q CB 0.468 29.266 28.738 0.101 0.000 1.634 447 Q HN 0.645 nan 8.270 nan 0.000 0.571 448 A N -0.348 122.152 122.820 -0.533 0.000 2.414 448 A HA 0.660 4.979 4.320 -0.001 0.000 0.306 448 A C 1.000 177.811 177.584 -1.289 0.000 1.054 448 A CA -0.506 51.087 52.037 -0.740 0.000 0.724 448 A CB 1.301 20.075 19.000 -0.376 0.000 1.267 448 A HN 0.534 nan 8.150 nan 0.000 0.418 449 G N 0.276 108.391 108.800 -1.141 0.000 2.448 449 G HA2 0.257 4.217 3.960 -0.001 0.000 0.219 449 G HA3 0.257 4.217 3.960 -0.001 0.000 0.219 449 G C 0.471 175.112 174.900 -0.432 0.000 1.127 449 G CA 1.647 46.318 45.100 -0.716 0.000 0.766 449 G HN 0.863 nan 8.290 nan 0.000 0.552 450 T N -0.462 113.809 114.554 -0.471 0.000 3.109 450 T HA 0.447 4.796 4.350 -0.001 0.000 0.311 450 T C -1.096 173.182 174.700 -0.703 0.000 1.011 450 T CA -0.487 61.277 62.100 -0.560 0.000 1.026 450 T CB 2.589 71.075 68.868 -0.636 0.000 1.047 450 T HN -0.072 nan 8.240 nan 0.000 0.448 451 V N 3.704 123.260 119.914 -0.596 0.000 2.384 451 V HA 0.498 4.617 4.120 -0.001 0.000 0.287 451 V C -0.592 175.235 176.094 -0.445 0.000 1.020 451 V CA -0.943 61.090 62.300 -0.445 0.000 0.850 451 V CB 1.300 32.970 31.823 -0.255 0.000 0.987 451 V HN 0.747 nan 8.190 nan 0.000 0.436 452 W N 3.375 124.545 121.300 -0.217 0.000 2.438 452 W HA 0.653 5.312 4.660 -0.001 0.000 0.324 452 W C -0.655 175.737 176.519 -0.212 0.000 1.119 452 W CA -0.699 56.504 57.345 -0.236 0.000 1.221 452 W CB 1.961 31.221 29.460 -0.332 0.000 1.253 452 W HN 0.273 nan 8.180 nan 0.000 0.555 453 V N 4.586 124.511 119.914 0.018 0.000 2.407 453 V HA 0.137 4.256 4.120 -0.001 0.000 0.291 453 V C 0.266 176.221 176.094 -0.231 0.000 1.018 453 V CA -0.916 61.306 62.300 -0.130 0.000 0.842 453 V CB 1.120 32.904 31.823 -0.065 0.000 0.996 453 V HN 0.681 nan 8.190 nan 0.000 0.426 454 N N 1.807 120.113 118.700 -0.657 0.000 2.741 454 N HA -0.179 4.560 4.740 -0.001 0.000 0.251 454 N C -0.230 175.350 175.510 0.116 0.000 1.112 454 N CA 1.371 54.132 53.050 -0.482 0.000 0.750 454 N CB -1.011 37.464 38.487 -0.021 0.000 1.119 454 N HN 1.055 nan 8.380 nan 0.000 0.561 455 C N -3.856 115.385 119.300 -0.098 0.000 3.314 455 C HA 0.828 5.287 4.460 -0.001 0.000 0.344 455 C C -0.889 174.155 174.990 0.090 0.000 1.461 455 C CA -1.295 57.842 59.018 0.199 0.000 1.249 455 C CB 1.958 29.780 27.740 0.138 0.000 1.632 455 C HN 0.254 nan 8.230 nan 0.000 0.452 456 Y N -0.109 120.026 120.300 -0.275 0.000 2.552 456 Y HA 0.462 5.011 4.550 -0.001 0.000 0.337 456 Y C -0.224 175.017 175.900 -1.100 0.000 1.094 456 Y CA 0.311 57.952 58.100 -0.765 0.000 1.028 456 Y CB 1.406 39.726 38.460 -0.233 0.000 1.321 456 Y HN 1.012 nan 8.280 nan 0.000 0.456 457 D N 1.767 120.821 120.400 -2.243 0.000 2.811 457 D HA -0.147 4.492 4.640 -0.001 0.000 0.231 457 D C -0.868 174.916 176.300 -0.859 0.000 1.157 457 D CA 0.949 54.173 54.000 -1.293 0.000 0.716 457 D CB -1.078 39.551 40.800 -0.285 0.000 1.077 457 D HN 0.160 nan 8.370 nan 0.000 0.428 458 V N 1.304 120.659 119.914 -0.933 0.000 2.356 458 V HA 0.237 4.356 4.120 -0.001 0.000 0.258 458 V C 0.507 176.488 176.094 -0.189 0.000 1.065 458 V CA -0.052 62.071 62.300 -0.295 0.000 0.935 458 V CB -0.222 31.530 31.823 -0.117 0.000 1.061 458 V HN -0.000 nan 8.190 nan 0.000 0.484 459 F N 2.656 122.657 119.950 0.084 0.000 2.436 459 F HA 0.735 5.261 4.527 -0.001 0.000 0.340 459 F C 0.863 176.672 175.800 0.016 0.000 1.113 459 F CA -0.504 57.526 58.000 0.049 0.000 1.022 459 F CB 1.880 40.903 39.000 0.038 0.000 1.128 459 F HN 0.486 nan 8.300 nan 0.000 0.466 460 G N 0.634 109.516 108.800 0.136 0.000 2.416 460 G HA2 0.507 4.466 3.960 -0.001 0.000 0.329 460 G HA3 0.507 4.466 3.960 -0.001 0.000 0.329 460 G C 0.432 175.269 174.900 -0.105 0.000 1.173 460 G CA -0.421 44.686 45.100 0.012 0.000 0.929 460 G HN 0.889 nan 8.290 nan 0.000 0.475 461 A N 1.579 124.285 122.820 -0.189 0.000 1.986 461 A HA -0.136 4.183 4.320 -0.001 0.000 0.220 461 A C 2.230 179.320 177.584 -0.823 0.000 1.171 461 A CA 2.007 53.814 52.037 -0.382 0.000 0.640 461 A CB -0.220 18.593 19.000 -0.312 0.000 0.811 461 A HN 0.676 nan 8.150 nan 0.000 0.451 462 Q N -0.378 118.883 119.800 -0.898 0.000 2.435 462 Q HA 0.105 4.444 4.340 -0.001 0.000 0.207 462 Q C 0.219 176.104 176.000 -0.191 0.000 0.956 462 Q CA 0.731 56.081 55.803 -0.755 0.000 0.917 462 Q CB -0.466 28.065 28.738 -0.346 0.000 0.997 462 Q HN 0.373 nan 8.270 nan 0.000 0.497 463 S N 3.667 119.277 115.700 -0.150 0.000 2.438 463 S HA 0.390 4.859 4.470 -0.001 0.000 0.293 463 S C -2.361 172.242 174.600 0.004 0.000 1.141 463 S CA -1.420 56.768 58.200 -0.020 0.000 1.080 463 S CB 1.223 64.422 63.200 -0.002 0.000 0.978 463 S HN 0.158 nan 8.310 nan 0.000 0.479 464 P HA 0.213 nan 4.420 nan 0.000 0.269 464 P C -0.898 176.470 177.300 0.113 0.000 1.215 464 P CA -0.261 62.872 63.100 0.054 0.000 0.780 464 P CB 0.316 31.969 31.700 -0.079 0.000 0.898 465 F N 1.366 121.247 119.950 -0.114 0.000 3.090 465 F HA 0.548 5.074 4.527 -0.001 0.000 0.381 465 F C -0.319 175.459 175.800 -0.037 0.000 1.231 465 F CA -0.392 57.571 58.000 -0.063 0.000 1.177 465 F CB 0.870 39.821 39.000 -0.082 0.000 1.598 465 F HN 0.409 nan 8.300 nan 0.000 0.589 466 G N 1.223 109.884 108.800 -0.232 0.000 2.788 466 G HA2 0.661 4.620 3.960 -0.001 0.000 0.293 466 G HA3 0.661 4.620 3.960 -0.001 0.000 0.293 466 G C -0.952 173.793 174.900 -0.259 0.000 1.305 466 G CA -0.758 44.200 45.100 -0.237 0.000 1.005 466 G HN 0.834 nan 8.290 nan 0.000 0.496 467 G N -1.442 107.287 108.800 -0.119 0.000 2.482 467 G HA2 0.551 4.510 3.960 -0.001 0.000 0.317 467 G HA3 0.551 4.510 3.960 -0.001 0.000 0.317 467 G C -1.452 173.554 174.900 0.176 0.000 1.241 467 G CA -0.395 44.693 45.100 -0.019 0.000 0.967 467 G HN 0.312 nan 8.290 nan 0.000 0.482 468 Y N 0.905 121.166 120.300 -0.066 0.000 2.392 468 Y HA 0.403 4.953 4.550 -0.001 0.000 0.323 468 Y C 1.668 177.562 175.900 -0.009 0.000 1.291 468 Y CA -0.975 57.100 58.100 -0.042 0.000 1.345 468 Y CB 1.030 39.465 38.460 -0.041 0.000 1.320 468 Y HN 0.805 nan 8.280 nan 0.000 0.518 469 K N -0.414 120.046 120.400 0.099 0.000 1.888 469 K HA -0.321 3.998 4.320 -0.001 0.000 0.114 469 K C 0.628 177.249 176.600 0.034 0.000 1.252 469 K CA 2.020 58.334 56.287 0.044 0.000 0.446 469 K CB -1.013 31.528 32.500 0.068 0.000 0.566 469 K HN 0.595 nan 8.250 nan 0.000 0.937 470 M N 1.256 120.873 119.600 0.027 0.000 2.652 470 M HA 0.035 4.514 4.480 -0.001 0.000 0.226 470 M C 0.547 176.922 176.300 0.125 0.000 1.244 470 M CA 0.563 55.875 55.300 0.020 0.000 0.986 470 M CB 0.097 32.649 32.600 -0.079 0.000 1.666 470 M HN 0.270 nan 8.290 nan 0.000 0.460 471 S N 0.380 116.175 115.700 0.159 0.000 2.597 471 S HA 0.391 4.860 4.470 -0.001 0.000 0.224 471 S C 0.912 175.562 174.600 0.082 0.000 0.955 471 S CA 0.380 58.686 58.200 0.177 0.000 0.933 471 S CB 0.237 63.533 63.200 0.161 0.000 0.788 471 S HN 0.841 nan 8.310 nan 0.000 0.488 472 G N 1.165 110.004 108.800 0.066 0.000 2.428 472 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.202 472 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.202 472 G C -0.729 174.175 174.900 0.006 0.000 1.247 472 G CA -0.471 44.651 45.100 0.038 0.000 1.020 472 G HN 0.701 nan 8.290 nan 0.000 0.529 473 S N -0.904 114.790 115.700 -0.010 0.000 2.651 473 S HA 0.997 5.466 4.470 -0.001 0.000 0.279 473 S C 0.588 175.163 174.600 -0.042 0.000 1.148 473 S CA 0.534 58.715 58.200 -0.033 0.000 0.837 473 S CB 1.280 64.458 63.200 -0.037 0.000 1.138 473 S HN 2.943 nan 8.310 nan 0.000 0.478 474 G N 0.703 109.472 108.800 -0.051 0.000 2.855 474 G HA2 0.069 4.028 3.960 -0.001 0.000 0.352 474 G HA3 0.069 4.028 3.960 -0.001 0.000 0.352 474 G C -1.400 173.471 174.900 -0.049 0.000 1.415 474 G CA -0.278 44.792 45.100 -0.049 0.000 0.871 474 G HN 0.911 nan 8.290 nan 0.000 0.543 475 Q N -0.440 119.342 119.800 -0.030 0.000 2.495 475 Q HA 0.786 5.125 4.340 -0.001 0.000 0.287 475 Q C -0.482 175.529 176.000 0.018 0.000 1.078 475 Q CA -0.853 54.931 55.803 -0.032 0.000 0.793 475 Q CB 2.408 31.113 28.738 -0.054 0.000 1.459 475 Q HN 0.658 nan 8.270 nan 0.000 0.422 476 E N 0.745 120.954 120.200 0.014 0.000 2.367 476 E HA 0.656 5.005 4.350 -0.001 0.000 0.273 476 E C -0.925 175.647 176.600 -0.047 0.000 0.903 476 E CA -0.801 55.609 56.400 0.015 0.000 0.764 476 E CB 2.242 31.952 29.700 0.017 0.000 1.252 476 E HN 0.546 nan 8.360 nan 0.000 0.446 477 L N -0.130 121.079 121.223 -0.024 0.000 0.584 477 L HA -0.255 4.085 4.340 -0.001 0.000 0.356 477 L C 0.634 177.619 176.870 0.191 0.000 0.953 477 L CA 0.901 55.758 54.840 0.029 0.000 1.223 477 L CB -0.850 41.034 42.059 -0.291 0.000 0.011 477 L HN 1.004 nan 8.230 nan 0.000 0.091 478 G N 0.412 109.307 108.800 0.159 0.000 2.645 478 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.246 478 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.246 478 G C 0.375 175.450 174.900 0.292 0.000 1.322 478 G CA 0.886 46.165 45.100 0.298 0.000 0.898 478 G HN 1.133 nan 8.290 nan 0.000 0.573 479 E N -0.957 119.339 120.200 0.160 0.000 2.285 479 E HA 0.013 4.362 4.350 -0.001 0.000 0.194 479 E C 2.108 178.541 176.600 -0.278 0.000 0.997 479 E CA 1.097 57.303 56.400 -0.323 0.000 0.845 479 E CB -0.077 29.451 29.700 -0.285 0.000 0.782 479 E HN 0.623 nan 8.360 nan 0.000 0.491 480 Y N -0.267 120.019 120.300 -0.023 0.000 2.403 480 Y HA -0.026 4.523 4.550 -0.001 0.000 0.291 480 Y C 2.380 178.258 175.900 -0.036 0.000 1.143 480 Y CA 1.017 59.105 58.100 -0.019 0.000 1.257 480 Y CB -0.463 38.004 38.460 0.012 0.000 0.984 480 Y HN 0.150 nan 8.280 nan 0.000 0.550 481 G N -0.046 108.840 108.800 0.143 0.000 2.408 481 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.217 481 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.217 481 G C 1.536 176.458 174.900 0.036 0.000 1.150 481 G CA 0.661 45.834 45.100 0.123 0.000 0.776 481 G HN 0.378 nan 8.290 nan 0.000 0.542 482 L N -0.075 121.047 121.223 -0.168 0.000 2.362 482 L HA -0.031 4.308 4.340 -0.001 0.000 0.219 482 L C 2.979 179.579 176.870 -0.450 0.000 1.134 482 L CA 0.546 55.128 54.840 -0.431 0.000 0.807 482 L CB -0.262 41.218 42.059 -0.965 0.000 0.927 482 L HN 0.273 nan 8.230 nan 0.000 0.447 483 Q N -0.056 119.585 119.800 -0.264 0.000 2.079 483 Q HA -0.159 4.180 4.340 -0.001 0.000 0.200 483 Q C 2.430 178.361 176.000 -0.115 0.000 0.974 483 Q CA 1.576 57.297 55.803 -0.137 0.000 0.840 483 Q CB -0.163 28.555 28.738 -0.034 0.000 0.898 483 Q HN 0.573 nan 8.270 nan 0.000 0.430 484 A N -0.440 122.313 122.820 -0.112 0.000 2.121 484 A HA -0.121 4.198 4.320 -0.001 0.000 0.218 484 A C 0.763 178.119 177.584 -0.380 0.000 1.154 484 A CA 0.892 52.789 52.037 -0.234 0.000 0.679 484 A CB -0.234 18.596 19.000 -0.282 0.000 0.795 484 A HN 0.398 nan 8.150 nan 0.000 0.458 485 Y N -0.483 119.745 120.300 -0.121 0.000 2.708 485 Y HA 0.281 4.830 4.550 -0.001 0.000 0.287 485 Y C 0.404 176.254 175.900 -0.083 0.000 1.145 485 Y CA -0.031 58.010 58.100 -0.098 0.000 1.249 485 Y CB 0.538 38.931 38.460 -0.112 0.000 1.152 485 Y HN 0.046 nan 8.280 nan 0.000 0.532 486 T N 0.238 114.789 114.554 -0.006 0.000 2.876 486 T HA 0.347 4.696 4.350 -0.001 0.000 0.289 486 T C -1.070 173.637 174.700 0.012 0.000 1.014 486 T CA -0.628 61.481 62.100 0.015 0.000 0.986 486 T CB 1.740 70.591 68.868 -0.030 0.000 1.021 486 T HN -0.072 nan 8.240 nan 0.000 0.458 487 E N 1.899 122.140 120.200 0.068 0.000 2.151 487 E HA 0.505 4.854 4.350 -0.001 0.000 0.275 487 E C -1.076 175.584 176.600 0.100 0.000 0.936 487 E CA -0.493 55.947 56.400 0.066 0.000 0.777 487 E CB 1.082 30.834 29.700 0.086 0.000 1.108 487 E HN 0.295 nan 8.360 nan 0.000 0.401 488 V N 5.531 125.490 119.914 0.075 0.000 2.364 488 V HA 0.276 4.395 4.120 -0.001 0.000 0.272 488 V C 0.110 176.244 176.094 0.067 0.000 1.036 488 V CA -0.542 61.835 62.300 0.128 0.000 0.880 488 V CB 0.995 32.881 31.823 0.105 0.000 0.991 488 V HN 0.514 nan 8.190 nan 0.000 0.460 489 K N 3.692 124.128 120.400 0.059 0.000 2.265 489 K HA 0.478 4.797 4.320 -0.001 0.000 0.267 489 K C -0.471 176.076 176.600 -0.088 0.000 0.994 489 K CA -0.341 55.938 56.287 -0.014 0.000 0.860 489 K CB 1.281 33.776 32.500 -0.009 0.000 1.099 489 K HN 0.644 nan 8.250 nan 0.000 0.448 490 T N 3.164 117.642 114.554 -0.126 0.000 2.806 490 T HA 0.246 4.596 4.350 -0.001 0.000 0.290 490 T C -0.590 173.916 174.700 -0.322 0.000 0.966 490 T CA -0.526 61.443 62.100 -0.218 0.000 1.060 490 T CB 1.170 69.936 68.868 -0.169 0.000 0.927 490 T HN 0.315 nan 8.240 nan 0.000 0.485 491 V N 4.347 123.913 119.914 -0.580 0.000 2.357 491 V HA 0.434 4.553 4.120 -0.001 0.000 0.284 491 V C 0.168 175.897 176.094 -0.608 0.000 1.018 491 V CA -0.655 61.242 62.300 -0.671 0.000 0.841 491 V CB 1.526 32.702 31.823 -1.078 0.000 0.991 491 V HN 0.963 nan 8.190 nan 0.000 0.437 492 T N 4.720 119.078 114.554 -0.327 0.000 2.815 492 T HA 0.534 4.884 4.350 -0.001 0.000 0.289 492 T C -0.340 174.328 174.700 -0.054 0.000 1.000 492 T CA -0.365 61.609 62.100 -0.211 0.000 0.958 492 T CB 1.435 70.165 68.868 -0.230 0.000 0.944 492 T HN 0.329 nan 8.240 nan 0.000 0.442 493 V N 3.672 123.637 119.914 0.086 0.000 2.483 493 V HA 0.455 4.574 4.120 -0.001 0.000 0.295 493 V C 0.511 176.810 176.094 0.340 0.000 1.035 493 V CA -1.148 61.279 62.300 0.212 0.000 0.896 493 V CB 1.666 33.668 31.823 0.297 0.000 0.986 493 V HN 0.715 nan 8.190 nan 0.000 0.447 494 K N 3.611 124.198 120.400 0.312 0.000 2.379 494 K HA 0.429 4.748 4.320 -0.001 0.000 0.284 494 K C -0.514 176.164 176.600 0.130 0.000 1.044 494 K CA -0.140 56.310 56.287 0.271 0.000 0.974 494 K CB 1.038 33.666 32.500 0.214 0.000 0.962 494 K HN 0.703 nan 8.250 nan 0.000 0.474 495 V N 2.164 122.100 119.914 0.035 0.000 2.960 495 V HA 0.397 4.516 4.120 -0.001 0.000 0.315 495 V C -2.023 174.042 176.094 -0.047 0.000 1.087 495 V CA -1.893 60.416 62.300 0.013 0.000 0.982 495 V CB 1.195 33.036 31.823 0.030 0.000 1.039 495 V HN 0.645 nan 8.190 nan 0.000 0.437 496 P HA -0.113 nan 4.420 nan 0.000 0.213 496 P C 0.061 177.323 177.300 -0.064 0.000 1.170 496 P CA 1.414 64.488 63.100 -0.044 0.000 0.902 496 P CB 0.119 31.800 31.700 -0.032 0.000 0.789 497 Q N -1.218 118.546 119.800 -0.061 0.000 2.331 497 Q HA 0.177 4.516 4.340 -0.001 0.000 0.249 497 Q C -1.084 174.882 176.000 -0.057 0.000 0.913 497 Q CA -0.708 55.055 55.803 -0.067 0.000 0.874 497 Q CB 1.335 30.042 28.738 -0.051 0.000 1.384 497 Q HN -0.139 nan 8.270 nan 0.000 0.427 498 K N 3.446 123.807 120.400 -0.063 0.000 2.270 498 K HA 0.304 4.623 4.320 -0.001 0.000 0.276 498 K C -0.934 175.651 176.600 -0.024 0.000 1.023 498 K CA 0.063 56.330 56.287 -0.034 0.000 0.955 498 K CB 0.660 33.147 32.500 -0.022 0.000 0.975 498 K HN 0.654 nan 8.250 nan 0.000 0.471 499 N N 0.997 119.688 118.700 -0.015 0.000 2.277 499 N HA 0.095 4.834 4.740 -0.001 0.000 0.286 499 N C -0.894 174.613 175.510 -0.004 0.000 1.140 499 N CA -0.497 52.546 53.050 -0.013 0.000 0.799 499 N CB 2.018 40.493 38.487 -0.021 0.000 1.596 499 N HN 0.727 nan 8.380 nan 0.000 0.473 500 S N 0.000 115.700 115.700 -0.000 0.000 2.498 500 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 500 S CA 0.000 58.203 58.200 0.004 0.000 1.107 500 S CB 0.000 63.203 63.200 0.005 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517