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 2onp_1_B 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 0.000 177.586 177.584 0.003 0.000 1.274 7 A CA 0.000 52.058 52.037 0.034 0.000 0.836 7 A CB 0.000 19.024 19.000 0.039 0.000 0.831 8 V N 3.700 123.580 119.914 -0.056 0.000 2.417 8 V HA 0.520 4.640 4.120 -0.001 0.000 0.291 8 V C -1.995 173.993 176.094 -0.177 0.000 1.024 8 V CA -1.397 60.760 62.300 -0.238 0.000 0.861 8 V CB 1.406 33.124 31.823 -0.175 0.000 0.985 8 V HN 0.831 nan 8.190 nan 0.000 0.436 9 P HA 0.300 nan 4.420 nan 0.000 0.268 9 P C -0.220 177.081 177.300 0.001 0.000 1.205 9 P CA -0.106 62.937 63.100 -0.095 0.000 0.771 9 P CB 0.524 32.175 31.700 -0.081 0.000 0.858 10 A N 4.902 127.716 122.820 -0.011 0.000 2.546 10 A HA 0.273 4.593 4.320 -0.001 0.000 0.243 10 A C -1.699 175.807 177.584 -0.129 0.000 1.063 10 A CA -0.576 51.432 52.037 -0.049 0.000 0.757 10 A CB -1.020 17.948 19.000 -0.052 0.000 0.991 10 A HN 0.425 nan 8.150 nan 0.000 0.503 11 P HA 0.173 nan 4.420 nan 0.000 0.284 11 P C -0.883 176.174 177.300 -0.405 0.000 1.258 11 P CA -0.765 61.985 63.100 -0.583 0.000 0.824 11 P CB 0.865 31.762 31.700 -1.338 0.000 1.038 12 N N 1.666 120.171 118.700 -0.325 0.000 2.437 12 N HA 0.032 4.771 4.740 -0.001 0.000 0.243 12 N C 0.826 175.999 175.510 -0.561 0.000 1.041 12 N CA 0.089 52.961 53.050 -0.296 0.000 0.940 12 N CB 0.428 38.842 38.487 -0.122 0.000 1.133 12 N HN 0.250 nan 8.380 nan 0.000 0.506 13 Q N 1.372 120.721 119.800 -0.752 0.000 2.500 13 Q HA -0.014 4.326 4.340 -0.001 0.000 0.213 13 Q C -0.258 175.303 176.000 -0.731 0.000 0.974 13 Q CA 0.843 55.880 55.803 -1.277 0.000 0.918 13 Q CB 0.353 28.545 28.738 -0.909 0.000 0.980 13 Q HN 0.552 nan 8.270 nan 0.000 0.505 14 Q N 0.606 120.165 119.800 -0.401 0.000 3.230 14 Q HA 0.239 4.579 4.340 -0.001 0.000 0.303 14 Q C -2.510 173.402 176.000 -0.148 0.000 0.884 14 Q CA -1.413 54.259 55.803 -0.219 0.000 0.859 14 Q CB 1.451 30.087 28.738 -0.169 0.000 1.432 14 Q HN 0.193 nan 8.270 nan 0.000 0.403 15 P HA 0.053 nan 4.420 nan 0.000 0.271 15 P C 0.067 177.344 177.300 -0.038 0.000 1.216 15 P CA -0.094 63.000 63.100 -0.009 0.000 0.771 15 P CB 1.150 32.825 31.700 -0.042 0.000 0.864 16 E N 2.140 122.299 120.200 -0.069 0.000 2.383 16 E HA 0.194 4.544 4.350 -0.001 0.000 0.264 16 E C -0.852 175.467 176.600 -0.469 0.000 1.050 16 E CA -0.341 55.852 56.400 -0.344 0.000 0.896 16 E CB 0.484 29.843 29.700 -0.568 0.000 0.982 16 E HN 0.129 nan 8.360 nan 0.000 0.424 17 V N 6.496 126.137 119.914 -0.455 0.000 2.370 17 V HA 0.183 4.303 4.120 -0.001 0.000 0.279 17 V C 0.190 176.019 176.094 -0.441 0.000 1.029 17 V CA -0.082 62.029 62.300 -0.316 0.000 0.870 17 V CB 0.668 32.385 31.823 -0.176 0.000 0.984 17 V HN 0.742 nan 8.190 nan 0.000 0.451 18 F N 1.763 121.729 119.950 0.027 0.000 2.622 18 F HA 0.224 4.750 4.527 -0.001 0.000 0.288 18 F C 1.008 176.705 175.800 -0.171 0.000 1.120 18 F CA 0.034 58.017 58.000 -0.029 0.000 1.423 18 F CB 0.382 39.420 39.000 0.064 0.000 1.127 18 F HN 0.384 nan 8.300 nan 0.000 0.588 19 C N 1.673 120.955 119.300 -0.030 0.000 2.396 19 C HA 0.455 4.915 4.460 -0.001 0.000 0.321 19 C C 0.214 175.014 174.990 -0.316 0.000 1.233 19 C CA -0.817 57.934 59.018 -0.444 0.000 1.440 19 C CB 0.695 28.101 27.740 -0.557 0.000 2.110 19 C HN 0.546 nan 8.230 nan 0.000 0.473 20 N N 0.823 119.303 118.700 -0.367 0.000 2.261 20 N HA 0.069 4.809 4.740 -0.001 0.000 0.241 20 N C -0.548 174.908 175.510 -0.090 0.000 1.374 20 N CA -0.273 52.667 53.050 -0.184 0.000 0.802 20 N CB -0.080 38.304 38.487 -0.171 0.000 1.339 20 N HN 0.796 nan 8.380 nan 0.000 0.498 21 Q N -0.094 119.696 119.800 -0.017 0.000 2.962 21 Q HA 0.585 4.924 4.340 -0.001 0.000 0.282 21 Q C -0.574 175.750 176.000 0.539 0.000 1.058 21 Q CA -1.025 54.932 55.803 0.257 0.000 0.854 21 Q CB 1.949 30.880 28.738 0.321 0.000 1.441 21 Q HN 0.146 nan 8.270 nan 0.000 0.497 22 I N 1.222 122.088 120.570 0.493 0.000 2.395 22 I HA 0.163 4.332 4.170 -0.001 0.000 0.289 22 I C -0.773 175.598 176.117 0.423 0.000 1.023 22 I CA -0.145 61.395 61.300 0.400 0.000 1.350 22 I CB 0.485 38.622 38.000 0.228 0.000 1.409 22 I HN 0.369 nan 8.210 nan 0.000 0.507 23 F N 8.288 128.250 119.950 0.022 0.000 2.361 23 F HA 0.608 5.134 4.527 -0.001 0.000 0.364 23 F C -0.492 175.170 175.800 -0.231 0.000 1.120 23 F CA -0.373 57.407 58.000 -0.367 0.000 1.102 23 F CB 0.332 38.964 39.000 -0.614 0.000 1.183 23 F HN 0.183 nan 8.300 nan 0.000 0.476 24 I N 5.456 125.716 120.570 -0.517 0.000 2.619 24 I HA 0.206 4.375 4.170 -0.001 0.000 0.292 24 I C -0.297 175.531 176.117 -0.481 0.000 1.100 24 I CA -1.083 59.941 61.300 -0.459 0.000 1.043 24 I CB 1.865 39.584 38.000 -0.467 0.000 1.239 24 I HN 0.471 nan 8.210 nan 0.000 0.420 25 N N 4.671 123.118 118.700 -0.422 0.000 2.727 25 N HA -0.248 4.491 4.740 -0.001 0.000 0.249 25 N C 0.025 175.269 175.510 -0.443 0.000 1.048 25 N CA 1.308 54.166 53.050 -0.320 0.000 0.714 25 N CB -0.997 37.393 38.487 -0.163 0.000 0.959 25 N HN 0.934 nan 8.380 nan 0.000 0.544 26 N N -1.715 116.470 118.700 -0.858 0.000 2.708 26 N HA -0.224 4.516 4.740 -0.001 0.000 0.251 26 N C -1.038 174.036 175.510 -0.727 0.000 1.123 26 N CA 1.102 53.623 53.050 -0.882 0.000 0.739 26 N CB -0.213 38.120 38.487 -0.257 0.000 1.113 26 N HN 0.482 nan 8.380 nan 0.000 0.561 27 E N -0.508 119.219 120.200 -0.788 0.000 2.312 27 E HA 0.310 4.660 4.350 -0.001 0.000 0.267 27 E C -0.707 175.620 176.600 -0.455 0.000 0.894 27 E CA -0.485 55.641 56.400 -0.456 0.000 0.773 27 E CB 0.901 30.441 29.700 -0.267 0.000 1.241 27 E HN 0.134 nan 8.360 nan 0.000 0.432 28 W N 0.788 122.052 121.300 -0.060 0.000 2.351 28 W HA 0.307 4.967 4.660 -0.001 0.000 0.311 28 W C 0.111 176.570 176.519 -0.099 0.000 1.168 28 W CA -0.175 57.211 57.345 0.069 0.000 1.200 28 W CB 0.780 30.297 29.460 0.096 0.000 1.221 28 W HN 0.414 nan 8.180 nan 0.000 0.519 29 H N 0.821 120.061 119.070 0.284 0.000 2.768 29 H HA 0.282 4.837 4.556 -0.001 0.000 0.371 29 H C -0.383 175.049 175.328 0.172 0.000 1.151 29 H CA -0.900 55.248 56.048 0.167 0.000 1.165 29 H CB 1.319 31.133 29.762 0.086 0.000 1.722 29 H HN 0.231 nan 8.280 nan 0.000 0.543 30 D N 0.524 121.069 120.400 0.242 0.000 2.383 30 D HA 0.388 5.028 4.640 -0.001 0.000 0.248 30 D C 0.367 176.770 176.300 0.172 0.000 1.170 30 D CA -0.403 53.702 54.000 0.173 0.000 0.977 30 D CB 0.985 41.856 40.800 0.119 0.000 1.120 30 D HN 0.662 nan 8.370 nan 0.000 0.481 31 A N 0.467 123.374 122.820 0.144 0.000 2.425 31 A HA 0.130 4.449 4.320 -0.001 0.000 0.242 31 A C 1.513 179.162 177.584 0.108 0.000 1.077 31 A CA -0.470 51.645 52.037 0.130 0.000 0.781 31 A CB 0.347 19.429 19.000 0.136 0.000 1.020 31 A HN 0.399 nan 8.150 nan 0.000 0.494 32 V N 2.106 122.075 119.914 0.092 0.000 2.469 32 V HA -0.237 3.883 4.120 -0.001 0.000 0.251 32 V C 2.623 178.761 176.094 0.072 0.000 1.064 32 V CA 2.722 65.068 62.300 0.077 0.000 1.066 32 V CB -0.795 31.064 31.823 0.061 0.000 0.667 32 V HN 1.105 nan 8.190 nan 0.000 0.461 33 S N -1.437 114.310 115.700 0.078 0.000 2.527 33 S HA -0.046 4.424 4.470 -0.001 0.000 0.222 33 S C 1.329 175.973 174.600 0.075 0.000 0.985 33 S CA 0.136 58.379 58.200 0.072 0.000 0.921 33 S CB 0.020 63.267 63.200 0.078 0.000 0.772 33 S HN 0.475 nan 8.310 nan 0.000 0.529 34 R N -0.107 120.443 120.500 0.083 0.000 3.840 34 R HA -0.098 4.242 4.340 -0.001 0.000 0.464 34 R C -0.669 175.682 176.300 0.085 0.000 0.986 34 R CA 1.230 57.377 56.100 0.078 0.000 1.305 34 R CB -2.236 28.101 30.300 0.062 0.000 1.950 34 R HN 0.588 nan 8.270 nan 0.000 0.526 35 K N 1.452 121.914 120.400 0.104 0.000 2.295 35 K HA 0.236 4.555 4.320 -0.001 0.000 0.270 35 K C 0.833 177.525 176.600 0.153 0.000 1.011 35 K CA 0.834 57.197 56.287 0.126 0.000 0.953 35 K CB 0.625 33.214 32.500 0.147 0.000 0.956 35 K HN 0.285 nan 8.250 nan 0.000 0.477 36 T N -0.932 113.713 114.554 0.152 0.000 2.906 36 T HA 0.694 5.044 4.350 -0.001 0.000 0.295 36 T C -0.792 174.043 174.700 0.226 0.000 1.075 36 T CA -1.052 61.124 62.100 0.127 0.000 1.005 36 T CB 0.762 69.634 68.868 0.008 0.000 1.136 36 T HN 0.477 nan 8.240 nan 0.000 0.498 37 F N -0.727 119.267 119.950 0.072 0.000 2.576 37 F HA 0.861 5.388 4.527 -0.000 0.000 0.313 37 F C -3.112 172.717 175.800 0.048 0.000 1.078 37 F CA -2.930 55.133 58.000 0.106 0.000 0.921 37 F CB 1.563 40.657 39.000 0.157 0.000 1.232 37 F HN 0.410 nan 8.300 nan 0.000 0.459 38 P HA 0.188 nan 4.420 nan 0.000 0.284 38 P C -0.955 176.390 177.300 0.075 0.000 1.253 38 P CA -0.155 62.957 63.100 0.020 0.000 0.800 38 P CB 1.973 33.715 31.700 0.069 0.000 0.961 39 T N 1.800 116.336 114.554 -0.031 0.000 2.807 39 T HA 0.393 4.742 4.350 -0.001 0.000 0.279 39 T C -0.514 174.190 174.700 0.006 0.000 0.993 39 T CA -0.517 61.595 62.100 0.020 0.000 0.970 39 T CB 0.370 69.224 68.868 -0.023 0.000 0.950 39 T HN 0.068 nan 8.240 nan 0.000 0.441 40 V N 5.630 125.559 119.914 0.025 0.000 2.617 40 V HA 0.408 4.528 4.120 -0.001 0.000 0.298 40 V C 0.615 176.711 176.094 0.004 0.000 1.048 40 V CA -1.007 61.305 62.300 0.020 0.000 0.964 40 V CB 1.559 33.416 31.823 0.056 0.000 1.004 40 V HN 0.940 nan 8.190 nan 0.000 0.466 41 N N 5.320 124.015 118.700 -0.008 0.000 2.415 41 N HA 0.232 4.971 4.740 -0.001 0.000 0.246 41 N C -1.483 174.003 175.510 -0.040 0.000 1.078 41 N CA -1.499 51.539 53.050 -0.020 0.000 0.942 41 N CB 1.370 39.849 38.487 -0.013 0.000 1.140 41 N HN 0.416 nan 8.380 nan 0.000 0.501 42 P HA -0.089 nan 4.420 nan 0.000 0.225 42 P C 0.533 177.673 177.300 -0.267 0.000 1.148 42 P CA 0.958 64.039 63.100 -0.031 0.000 0.779 42 P CB 0.354 32.047 31.700 -0.013 0.000 0.780 43 S N -0.587 114.996 115.700 -0.195 0.000 2.436 43 S HA -0.036 4.434 4.470 -0.001 0.000 0.228 43 S C 1.811 176.385 174.600 -0.043 0.000 1.014 43 S CA 1.754 59.876 58.200 -0.129 0.000 0.950 43 S CB -0.604 62.623 63.200 0.046 0.000 0.784 43 S HN 0.456 nan 8.310 nan 0.000 0.504 44 T N -3.255 111.235 114.554 -0.107 0.000 2.959 44 T HA 0.462 4.812 4.350 -0.001 0.000 0.254 44 T C 1.471 176.058 174.700 -0.189 0.000 1.003 44 T CA 0.756 62.794 62.100 -0.103 0.000 0.950 44 T CB 0.395 69.234 68.868 -0.048 0.000 1.090 44 T HN 0.474 nan 8.240 nan 0.000 0.503 45 G N 1.642 110.296 108.800 -0.244 0.000 2.159 45 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.256 45 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.256 45 G C -0.227 174.622 174.900 -0.084 0.000 0.977 45 G CA 0.107 45.067 45.100 -0.233 0.000 0.652 45 G HN 0.612 nan 8.290 nan 0.000 0.531 46 E N -0.019 120.142 120.200 -0.064 0.000 2.242 46 E HA 0.510 4.859 4.350 -0.001 0.000 0.275 46 E C 0.554 177.141 176.600 -0.021 0.000 1.002 46 E CA -0.781 55.597 56.400 -0.037 0.000 0.841 46 E CB 2.073 31.749 29.700 -0.039 0.000 1.109 46 E HN 0.118 nan 8.360 nan 0.000 0.394 47 V N 3.779 123.684 119.914 -0.016 0.000 2.572 47 V HA -0.012 4.108 4.120 -0.001 0.000 0.291 47 V C 1.694 177.769 176.094 -0.032 0.000 1.039 47 V CA 0.392 62.683 62.300 -0.016 0.000 1.055 47 V CB 0.217 32.034 31.823 -0.011 0.000 0.969 47 V HN 0.631 nan 8.190 nan 0.000 0.482 48 I N 3.868 124.415 120.570 -0.038 0.000 2.339 48 I HA 0.040 4.209 4.170 -0.001 0.000 0.245 48 I C 0.975 177.049 176.117 -0.071 0.000 1.096 48 I CA 1.302 62.571 61.300 -0.052 0.000 1.408 48 I CB 0.225 38.194 38.000 -0.051 0.000 1.092 48 I HN 0.890 nan 8.210 nan 0.000 0.423 49 C N -2.255 116.994 119.300 -0.084 0.000 3.211 49 C HA 0.399 4.859 4.460 -0.001 0.000 0.350 49 C C -1.362 173.545 174.990 -0.138 0.000 1.413 49 C CA -1.182 57.773 59.018 -0.104 0.000 1.203 49 C CB 1.235 28.904 27.740 -0.119 0.000 1.506 49 C HN 0.138 nan 8.230 nan 0.000 0.448 50 Q N 0.519 120.229 119.800 -0.149 0.000 2.214 50 Q HA 0.783 5.122 4.340 -0.001 0.000 0.251 50 Q C -0.742 175.081 176.000 -0.295 0.000 0.936 50 Q CA -0.284 55.399 55.803 -0.200 0.000 0.894 50 Q CB 2.014 30.683 28.738 -0.115 0.000 1.252 50 Q HN 0.755 nan 8.270 nan 0.000 0.448 51 V N 0.556 120.160 119.914 -0.516 0.000 2.841 51 V HA 0.484 4.604 4.120 -0.001 0.000 0.310 51 V C -0.458 175.398 176.094 -0.398 0.000 1.090 51 V CA -1.264 60.708 62.300 -0.546 0.000 0.930 51 V CB 1.907 33.213 31.823 -0.863 0.000 1.014 51 V HN 0.902 nan 8.190 nan 0.000 0.425 52 A N 2.577 125.341 122.820 -0.093 0.000 2.566 52 A HA 0.150 4.469 4.320 -0.001 0.000 0.245 52 A C 0.435 178.171 177.584 0.253 0.000 1.056 52 A CA 0.349 52.438 52.037 0.087 0.000 0.757 52 A CB -0.139 18.945 19.000 0.141 0.000 0.979 52 A HN 0.901 nan 8.150 nan 0.000 0.508 53 E N 3.140 123.536 120.200 0.327 0.000 1.924 53 E HA 0.340 4.690 4.350 -0.001 0.000 0.261 53 E C 0.721 177.461 176.600 0.232 0.000 1.088 53 E CA -0.248 56.396 56.400 0.406 0.000 0.909 53 E CB 0.102 30.066 29.700 0.441 0.000 1.112 53 E HN 0.809 nan 8.360 nan 0.000 0.425 54 G N 3.318 112.233 108.800 0.191 0.000 2.491 54 G HA2 0.033 3.992 3.960 -0.001 0.000 0.242 54 G HA3 0.033 3.992 3.960 -0.001 0.000 0.242 54 G C -0.269 174.698 174.900 0.113 0.000 1.266 54 G CA -0.193 44.988 45.100 0.134 0.000 0.844 54 G HN 0.584 nan 8.290 nan 0.000 0.571 55 D N -0.439 120.020 120.400 0.099 0.000 2.867 55 D HA 0.183 4.823 4.640 -0.001 0.000 0.308 55 D C 1.302 177.647 176.300 0.075 0.000 1.202 55 D CA -0.792 53.263 54.000 0.090 0.000 1.035 55 D CB 1.484 42.339 40.800 0.091 0.000 1.427 55 D HN 0.275 nan 8.370 nan 0.000 0.570 56 K N 0.368 120.810 120.400 0.069 0.000 2.034 56 K HA -0.203 4.117 4.320 -0.001 0.000 0.214 56 K C 1.572 178.214 176.600 0.070 0.000 1.051 56 K CA 1.884 58.212 56.287 0.069 0.000 0.931 56 K CB 0.009 32.541 32.500 0.053 0.000 0.715 56 K HN 0.326 nan 8.250 nan 0.000 0.446 57 E N 0.148 120.382 120.200 0.058 0.000 2.160 57 E HA -0.194 4.156 4.350 -0.001 0.000 0.195 57 E C 1.672 178.297 176.600 0.041 0.000 0.991 57 E CA 1.355 57.785 56.400 0.050 0.000 0.810 57 E CB -0.040 29.686 29.700 0.045 0.000 0.742 57 E HN 0.466 nan 8.360 nan 0.000 0.466 58 D N 0.320 120.747 120.400 0.044 0.000 2.149 58 D HA -0.089 4.550 4.640 -0.001 0.000 0.201 58 D C 2.133 178.438 176.300 0.007 0.000 0.972 58 D CA 0.656 54.669 54.000 0.022 0.000 0.835 58 D CB 0.035 40.864 40.800 0.047 0.000 0.966 58 D HN 0.044 nan 8.370 nan 0.000 0.476 59 V N 1.987 121.921 119.914 0.034 0.000 2.343 59 V HA -0.208 3.912 4.120 -0.001 0.000 0.247 59 V C 1.965 178.063 176.094 0.007 0.000 1.051 59 V CA 1.650 63.964 62.300 0.023 0.000 1.036 59 V CB -0.372 31.490 31.823 0.064 0.000 0.654 59 V HN 0.023 nan 8.190 nan 0.000 0.451 60 D N 0.155 120.601 120.400 0.076 0.000 2.104 60 D HA -0.175 4.465 4.640 -0.001 0.000 0.194 60 D C 2.249 178.564 176.300 0.026 0.000 0.994 60 D CA 1.349 55.422 54.000 0.122 0.000 0.830 60 D CB -0.215 40.666 40.800 0.136 0.000 0.959 60 D HN 0.433 nan 8.370 nan 0.000 0.452 61 K N 0.598 120.992 120.400 -0.011 0.000 2.057 61 K HA -0.064 4.256 4.320 -0.001 0.000 0.207 61 K C 2.164 178.707 176.600 -0.095 0.000 1.049 61 K CA 1.232 57.484 56.287 -0.058 0.000 0.931 61 K CB -0.114 32.326 32.500 -0.101 0.000 0.714 61 K HN 0.035 nan 8.250 nan 0.000 0.440 62 A N 1.030 123.788 122.820 -0.103 0.000 1.902 62 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 62 A C 2.398 179.913 177.584 -0.115 0.000 1.181 62 A CA 1.474 53.442 52.037 -0.115 0.000 0.623 62 A CB -0.708 18.238 19.000 -0.089 0.000 0.818 62 A HN 0.072 nan 8.150 nan 0.000 0.443 63 V N 0.257 120.082 119.914 -0.148 0.000 2.295 63 V HA -0.299 3.821 4.120 -0.001 0.000 0.246 63 V C 2.441 178.472 176.094 -0.105 0.000 1.049 63 V CA 2.415 64.591 62.300 -0.206 0.000 1.024 63 V CB -0.751 30.771 31.823 -0.501 0.000 0.648 63 V HN 0.553 nan 8.190 nan 0.000 0.447 64 K N 0.355 120.720 120.400 -0.058 0.000 2.057 64 K HA -0.132 4.187 4.320 -0.001 0.000 0.207 64 K C 2.308 178.898 176.600 -0.017 0.000 1.049 64 K CA 1.507 57.786 56.287 -0.012 0.000 0.931 64 K CB -0.438 32.065 32.500 0.005 0.000 0.714 64 K HN 0.481 nan 8.250 nan 0.000 0.440 65 A N 1.491 124.283 122.820 -0.047 0.000 1.930 65 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 65 A C 2.367 179.933 177.584 -0.030 0.000 1.175 65 A CA 1.745 53.751 52.037 -0.051 0.000 0.627 65 A CB -0.620 18.320 19.000 -0.100 0.000 0.815 65 A HN 0.329 nan 8.150 nan 0.000 0.443 66 A N -0.149 122.647 122.820 -0.040 0.000 1.873 66 A HA -0.131 4.189 4.320 -0.001 0.000 0.215 66 A C 2.180 179.804 177.584 0.067 0.000 1.186 66 A CA 2.066 54.094 52.037 -0.014 0.000 0.616 66 A CB -0.445 18.523 19.000 -0.054 0.000 0.823 66 A HN 0.440 nan 8.150 nan 0.000 0.442 67 R N 0.323 120.856 120.500 0.055 0.000 2.091 67 R HA -0.049 4.291 4.340 -0.001 0.000 0.238 67 R C 2.108 178.503 176.300 0.158 0.000 1.136 67 R CA 2.004 58.178 56.100 0.124 0.000 0.959 67 R CB -0.939 29.408 30.300 0.080 0.000 0.856 67 R HN 0.399 nan 8.270 nan 0.000 0.437 68 A N 0.133 123.010 122.820 0.095 0.000 1.902 68 A HA -0.005 4.314 4.320 -0.001 0.000 0.217 68 A C 2.333 179.980 177.584 0.106 0.000 1.181 68 A CA 1.718 53.804 52.037 0.082 0.000 0.623 68 A CB -1.038 17.988 19.000 0.043 0.000 0.818 68 A HN 0.467 nan 8.150 nan 0.000 0.443 69 A N -2.143 120.745 122.820 0.114 0.000 2.067 69 A HA 0.047 4.366 4.320 -0.001 0.000 0.219 69 A C 1.753 179.501 177.584 0.274 0.000 1.158 69 A CA 1.298 53.422 52.037 0.145 0.000 0.661 69 A CB -0.545 18.497 19.000 0.070 0.000 0.801 69 A HN 0.609 nan 8.150 nan 0.000 0.452 70 F N 0.238 120.270 119.950 0.136 0.000 2.765 70 F HA 0.201 4.727 4.527 -0.001 0.000 0.302 70 F C 0.715 176.590 175.800 0.126 0.000 1.111 70 F CA -0.246 57.861 58.000 0.178 0.000 1.359 70 F CB 0.143 39.233 39.000 0.150 0.000 1.097 70 F HN 0.091 nan 8.300 nan 0.000 0.577 71 Q N 1.626 121.452 119.800 0.044 0.000 2.361 71 Q HA 0.032 4.372 4.340 -0.001 0.000 0.276 71 Q C -0.167 175.765 176.000 -0.113 0.000 1.022 71 Q CA -0.146 55.641 55.803 -0.025 0.000 0.898 71 Q CB 0.779 29.534 28.738 0.029 0.000 1.246 71 Q HN 0.217 nan 8.270 nan 0.000 0.410 72 L N 1.479 122.628 121.223 -0.123 0.000 2.559 72 L HA 0.083 4.423 4.340 -0.001 0.000 0.282 72 L C 1.356 178.188 176.870 -0.064 0.000 1.232 72 L CA 2.296 57.065 54.840 -0.118 0.000 0.885 72 L CB 0.072 42.085 42.059 -0.076 0.000 1.131 72 L HN 0.937 nan 8.230 nan 0.000 0.498 73 G N 1.878 110.642 108.800 -0.061 0.000 2.199 73 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.254 73 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.254 73 G C 0.422 175.315 174.900 -0.010 0.000 0.982 73 G CA 0.507 45.590 45.100 -0.030 0.000 0.632 73 G HN 1.121 nan 8.290 nan 0.000 0.529 74 S N 0.661 116.358 115.700 -0.004 0.000 2.596 74 S HA 0.542 5.012 4.470 -0.001 0.000 0.260 74 S C -0.528 174.113 174.600 0.067 0.000 1.336 74 S CA -0.142 58.084 58.200 0.042 0.000 0.993 74 S CB 1.749 64.993 63.200 0.073 0.000 0.923 74 S HN 0.018 nan 8.310 nan 0.000 0.567 75 P HA -0.088 nan 4.420 nan 0.000 0.215 75 P C 1.317 178.743 177.300 0.210 0.000 1.153 75 P CA 1.184 64.360 63.100 0.127 0.000 0.853 75 P CB -0.133 31.649 31.700 0.136 0.000 0.788 76 W N 0.295 121.621 121.300 0.043 0.000 2.358 76 W HA -0.163 4.497 4.660 -0.001 0.000 0.303 76 W C 1.799 178.345 176.519 0.046 0.000 1.208 76 W CA 0.758 58.148 57.345 0.076 0.000 1.274 76 W CB -0.126 29.407 29.460 0.121 0.000 1.138 76 W HN -0.159 nan 8.180 nan 0.000 0.515 77 R N 0.361 120.867 120.500 0.010 0.000 2.092 77 R HA -0.073 4.266 4.340 -0.001 0.000 0.231 77 R C 2.077 178.294 176.300 -0.139 0.000 1.119 77 R CA 1.119 57.121 56.100 -0.164 0.000 0.970 77 R CB -0.768 29.416 30.300 -0.193 0.000 0.864 77 R HN 0.328 nan 8.270 nan 0.000 0.440 78 R N -0.151 120.306 120.500 -0.071 0.000 2.200 78 R HA 0.138 4.477 4.340 -0.001 0.000 0.208 78 R C 1.143 177.404 176.300 -0.065 0.000 1.033 78 R CA -0.147 55.917 56.100 -0.059 0.000 1.000 78 R CB -0.088 30.194 30.300 -0.030 0.000 0.906 78 R HN 0.123 nan 8.270 nan 0.000 0.462 79 M N 2.383 121.941 119.600 -0.069 0.000 2.261 79 M HA -0.069 4.410 4.480 -0.001 0.000 0.350 79 M C -0.732 175.523 176.300 -0.076 0.000 1.343 79 M CA 0.448 55.713 55.300 -0.058 0.000 1.003 79 M CB 0.477 33.061 32.600 -0.026 0.000 1.848 79 M HN -0.054 nan 8.290 nan 0.000 0.456 80 D N 4.057 124.440 120.400 -0.028 0.000 2.443 80 D HA 0.083 4.722 4.640 -0.001 0.000 0.239 80 D C 0.836 177.133 176.300 -0.005 0.000 1.136 80 D CA 0.499 54.493 54.000 -0.010 0.000 0.879 80 D CB 1.056 41.866 40.800 0.017 0.000 1.195 80 D HN 0.766 nan 8.370 nan 0.000 0.443 81 A N 2.248 125.058 122.820 -0.018 0.000 1.940 81 A HA -0.219 4.101 4.320 -0.001 0.000 0.219 81 A C 2.120 179.714 177.584 0.017 0.000 1.176 81 A CA 2.178 54.205 52.037 -0.016 0.000 0.631 81 A CB -0.627 18.381 19.000 0.013 0.000 0.814 81 A HN 0.598 nan 8.150 nan 0.000 0.446 82 S N -1.110 114.611 115.700 0.036 0.000 2.399 82 S HA -0.263 4.206 4.470 -0.001 0.000 0.231 82 S C 1.840 176.467 174.600 0.045 0.000 1.022 82 S CA 1.676 59.900 58.200 0.040 0.000 0.983 82 S CB -0.702 62.524 63.200 0.042 0.000 0.803 82 S HN 0.738 nan 8.310 nan 0.000 0.480 83 H N 1.544 120.601 119.070 -0.022 0.000 2.428 83 H HA 0.240 4.796 4.556 -0.001 0.000 0.296 83 H C 2.287 177.604 175.328 -0.019 0.000 1.062 83 H CA 1.301 57.335 56.048 -0.024 0.000 1.350 83 H CB -0.044 29.700 29.762 -0.030 0.000 1.403 83 H HN 0.363 nan 8.280 nan 0.000 0.533 84 R N -0.754 119.728 120.500 -0.030 0.000 2.120 84 R HA -0.059 4.281 4.340 -0.001 0.000 0.234 84 R C 2.460 178.777 176.300 0.028 0.000 1.123 84 R CA 1.005 57.109 56.100 0.007 0.000 0.975 84 R CB -0.365 29.921 30.300 -0.023 0.000 0.866 84 R HN 0.395 nan 8.270 nan 0.000 0.446 85 G N 1.166 109.969 108.800 0.005 0.000 2.402 85 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.216 85 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.216 85 G C 1.433 176.313 174.900 -0.032 0.000 1.162 85 G CA 0.123 45.237 45.100 0.024 0.000 0.777 85 G HN 0.110 nan 8.290 nan 0.000 0.539 86 R N 0.274 120.692 120.500 -0.137 0.000 2.091 86 R HA 0.048 4.388 4.340 -0.001 0.000 0.238 86 R C 2.615 178.789 176.300 -0.210 0.000 1.136 86 R CA 0.633 56.618 56.100 -0.191 0.000 0.959 86 R CB -1.088 29.012 30.300 -0.333 0.000 0.856 86 R HN 0.401 nan 8.270 nan 0.000 0.437 87 L N 0.396 121.425 121.223 -0.324 0.000 2.017 87 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 87 L C 2.536 179.403 176.870 -0.004 0.000 1.073 87 L CA 1.083 55.696 54.840 -0.379 0.000 0.745 87 L CB -0.538 40.965 42.059 -0.926 0.000 0.894 87 L HN 0.113 nan 8.230 nan 0.000 0.432 88 L N -0.262 121.073 121.223 0.187 0.000 2.083 88 L HA -0.226 4.114 4.340 -0.001 0.000 0.209 88 L C 2.405 179.385 176.870 0.183 0.000 1.083 88 L CA 1.034 56.059 54.840 0.310 0.000 0.752 88 L CB -0.579 41.647 42.059 0.278 0.000 0.899 88 L HN 0.367 nan 8.230 nan 0.000 0.433 89 N N -0.104 118.655 118.700 0.099 0.000 2.188 89 N HA -0.189 4.551 4.740 -0.001 0.000 0.184 89 N C 1.945 177.497 175.510 0.069 0.000 1.018 89 N CA 0.944 54.037 53.050 0.071 0.000 0.858 89 N CB -0.184 38.323 38.487 0.033 0.000 0.989 89 N HN 0.159 nan 8.380 nan 0.000 0.426 90 R N 1.338 121.868 120.500 0.050 0.000 2.073 90 R HA -0.029 4.311 4.340 -0.001 0.000 0.234 90 R C 2.062 178.423 176.300 0.101 0.000 1.134 90 R CA 0.859 56.990 56.100 0.051 0.000 0.952 90 R CB -1.059 29.245 30.300 0.006 0.000 0.850 90 R HN 0.195 nan 8.270 nan 0.000 0.433 91 L N 0.397 121.722 121.223 0.169 0.000 2.012 91 L HA -0.035 4.305 4.340 -0.001 0.000 0.210 91 L C 2.105 179.053 176.870 0.130 0.000 1.073 91 L CA 2.385 57.338 54.840 0.188 0.000 0.748 91 L CB -1.178 41.045 42.059 0.273 0.000 0.891 91 L HN 0.268 nan 8.230 nan 0.000 0.431 92 A N -0.765 122.130 122.820 0.125 0.000 1.883 92 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 92 A C 2.018 179.655 177.584 0.088 0.000 1.186 92 A CA 1.916 54.015 52.037 0.103 0.000 0.624 92 A CB -0.957 18.105 19.000 0.102 0.000 0.822 92 A HN 0.555 nan 8.150 nan 0.000 0.444 93 D N -0.003 120.446 120.400 0.081 0.000 2.149 93 D HA -0.119 4.521 4.640 -0.001 0.000 0.198 93 D C 1.914 178.262 176.300 0.080 0.000 0.990 93 D CA 0.995 55.038 54.000 0.071 0.000 0.839 93 D CB -0.282 40.553 40.800 0.059 0.000 0.948 93 D HN 0.479 nan 8.370 nan 0.000 0.460 94 L N 0.132 121.407 121.223 0.088 0.000 2.072 94 L HA -0.056 4.284 4.340 -0.001 0.000 0.205 94 L C 2.478 179.423 176.870 0.124 0.000 1.079 94 L CA 0.556 55.453 54.840 0.096 0.000 0.752 94 L CB -0.217 41.894 42.059 0.086 0.000 0.906 94 L HN 0.000 nan 8.230 nan 0.000 0.436 95 I N -0.044 120.599 120.570 0.121 0.000 2.286 95 I HA -0.287 3.883 4.170 -0.001 0.000 0.248 95 I C 2.592 178.781 176.117 0.121 0.000 1.115 95 I CA 1.251 62.635 61.300 0.139 0.000 1.392 95 I CB -0.127 37.941 38.000 0.113 0.000 1.065 95 I HN 0.326 nan 8.210 nan 0.000 0.418 96 E N 1.198 121.453 120.200 0.092 0.000 2.106 96 E HA -0.265 4.085 4.350 -0.001 0.000 0.192 96 E C 2.395 179.056 176.600 0.101 0.000 0.984 96 E CA 0.895 57.338 56.400 0.073 0.000 0.806 96 E CB -0.028 29.706 29.700 0.057 0.000 0.750 96 E HN 0.263 nan 8.360 nan 0.000 0.458 97 R N 0.358 120.924 120.500 0.109 0.000 2.091 97 R HA -0.145 4.195 4.340 -0.001 0.000 0.238 97 R C 0.357 176.745 176.300 0.148 0.000 1.136 97 R CA 1.861 58.029 56.100 0.114 0.000 0.959 97 R CB -0.030 30.330 30.300 0.100 0.000 0.856 97 R HN 0.135 nan 8.270 nan 0.000 0.437 98 D N -0.197 120.314 120.400 0.186 0.000 2.460 98 D HA 0.029 4.668 4.640 -0.001 0.000 0.229 98 D C 1.070 177.523 176.300 0.255 0.000 1.170 98 D CA -0.019 54.129 54.000 0.247 0.000 0.827 98 D CB 0.216 41.229 40.800 0.354 0.000 0.973 98 D HN 0.248 nan 8.370 nan 0.000 0.496 99 R N 0.292 120.912 120.500 0.201 0.000 2.073 99 R HA -0.119 4.221 4.340 -0.001 0.000 0.234 99 R C 1.413 177.889 176.300 0.294 0.000 1.134 99 R CA 1.459 57.654 56.100 0.158 0.000 0.952 99 R CB -0.035 30.284 30.300 0.031 0.000 0.850 99 R HN -0.009 nan 8.270 nan 0.000 0.433 100 T N 0.162 114.966 114.554 0.416 0.000 2.720 100 T HA -0.212 4.137 4.350 -0.001 0.000 0.268 100 T C 1.364 176.299 174.700 0.392 0.000 1.037 100 T CA 1.644 64.033 62.100 0.483 0.000 1.144 100 T CB -0.491 68.587 68.868 0.349 0.000 0.864 100 T HN 0.394 nan 8.240 nan 0.000 0.444 101 Y N 1.671 122.082 120.300 0.184 0.000 2.133 101 Y HA -0.019 4.531 4.550 -0.001 0.000 0.287 101 Y C 2.040 177.991 175.900 0.085 0.000 1.134 101 Y CA 1.022 59.178 58.100 0.093 0.000 1.133 101 Y CB -0.653 37.803 38.460 -0.006 0.000 0.987 101 Y HN 0.095 nan 8.280 nan 0.000 0.502 102 L N -0.095 121.084 121.223 -0.074 0.000 2.079 102 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 102 L C 2.758 179.593 176.870 -0.059 0.000 1.081 102 L CA 1.224 55.973 54.840 -0.152 0.000 0.752 102 L CB -0.903 41.192 42.059 0.060 0.000 0.896 102 L HN 0.391 nan 8.230 nan 0.000 0.433 103 A N -0.209 122.668 122.820 0.095 0.000 1.902 103 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 103 A C 2.509 180.262 177.584 0.282 0.000 1.181 103 A CA 1.685 53.816 52.037 0.158 0.000 0.623 103 A CB -0.655 18.465 19.000 0.199 0.000 0.818 103 A HN 0.407 nan 8.150 nan 0.000 0.443 104 A N -0.609 122.432 122.820 0.368 0.000 1.898 104 A HA 0.008 4.328 4.320 -0.001 0.000 0.216 104 A C 2.104 179.787 177.584 0.165 0.000 1.181 104 A CA 1.657 53.924 52.037 0.384 0.000 0.620 104 A CB -0.593 18.513 19.000 0.178 0.000 0.819 104 A HN 0.636 nan 8.150 nan 0.000 0.442 105 L N -0.022 121.121 121.223 -0.133 0.000 2.083 105 L HA -0.121 4.219 4.340 -0.001 0.000 0.209 105 L C 2.199 179.025 176.870 -0.073 0.000 1.083 105 L CA 2.658 57.383 54.840 -0.191 0.000 0.752 105 L CB -0.664 41.118 42.059 -0.462 0.000 0.899 105 L HN 0.519 nan 8.230 nan 0.000 0.433 106 E N -1.049 119.118 120.200 -0.055 0.000 2.051 106 E HA -0.194 4.156 4.350 -0.001 0.000 0.192 106 E C 2.029 178.593 176.600 -0.059 0.000 0.991 106 E CA 2.064 58.439 56.400 -0.041 0.000 0.799 106 E CB -0.342 29.340 29.700 -0.029 0.000 0.748 106 E HN 0.487 nan 8.360 nan 0.000 0.449 107 T N 0.775 115.290 114.554 -0.064 0.000 2.746 107 T HA -0.155 4.195 4.350 -0.001 0.000 0.267 107 T C 1.744 176.334 174.700 -0.184 0.000 1.039 107 T CA 1.227 63.205 62.100 -0.204 0.000 1.142 107 T CB -0.379 68.233 68.868 -0.426 0.000 0.866 107 T HN 0.120 nan 8.240 nan 0.000 0.444 108 L N 1.184 122.400 121.223 -0.012 0.000 2.012 108 L HA -0.097 4.243 4.340 -0.001 0.000 0.210 108 L C 2.085 178.953 176.870 -0.003 0.000 1.073 108 L CA 1.880 56.769 54.840 0.082 0.000 0.748 108 L CB -0.396 41.756 42.059 0.155 0.000 0.891 108 L HN 0.090 nan 8.230 nan 0.000 0.431 109 D N -1.594 118.791 120.400 -0.025 0.000 2.213 109 D HA -0.145 4.495 4.640 -0.001 0.000 0.205 109 D C 1.894 178.164 176.300 -0.048 0.000 0.961 109 D CA 0.771 54.753 54.000 -0.030 0.000 0.853 109 D CB 0.026 40.813 40.800 -0.021 0.000 0.967 109 D HN 0.420 nan 8.370 nan 0.000 0.496 110 N N -0.718 117.941 118.700 -0.069 0.000 2.436 110 N HA -0.019 4.721 4.740 -0.001 0.000 0.178 110 N C 1.382 176.813 175.510 -0.133 0.000 1.026 110 N CA 1.668 54.667 53.050 -0.086 0.000 0.880 110 N CB 0.875 39.311 38.487 -0.084 0.000 1.061 110 N HN 0.258 nan 8.380 nan 0.000 0.434 111 G N 1.356 110.061 108.800 -0.158 0.000 2.238 111 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.217 111 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.217 111 G C -0.088 174.692 174.900 -0.201 0.000 0.996 111 G CA 0.331 45.317 45.100 -0.190 0.000 0.632 111 G HN 0.669 nan 8.290 nan 0.000 0.503 112 K N 1.157 121.435 120.400 -0.204 0.000 2.355 112 K HA 0.465 4.785 4.320 -0.001 0.000 0.270 112 K C -2.688 173.804 176.600 -0.180 0.000 1.003 112 K CA -1.258 54.905 56.287 -0.206 0.000 0.957 112 K CB 0.496 32.849 32.500 -0.245 0.000 0.939 112 K HN 0.070 nan 8.250 nan 0.000 0.482 113 P HA -0.124 nan 4.420 nan 0.000 0.262 113 P C -0.324 176.945 177.300 -0.052 0.000 1.182 113 P CA 0.044 63.098 63.100 -0.077 0.000 0.761 113 P CB 0.125 31.816 31.700 -0.015 0.000 0.795 114 Y N 4.722 124.915 120.300 -0.179 0.000 2.207 114 Y HA -0.245 4.305 4.550 -0.001 0.000 0.287 114 Y C 1.796 177.729 175.900 0.056 0.000 1.156 114 Y CA 1.720 59.771 58.100 -0.082 0.000 1.182 114 Y CB -0.803 37.650 38.460 -0.012 0.000 0.979 114 Y HN 0.081 nan 8.280 nan 0.000 0.521 115 V N 0.379 120.280 119.914 -0.022 0.000 2.332 115 V HA -0.330 3.789 4.120 -0.001 0.000 0.248 115 V C 2.333 178.413 176.094 -0.023 0.000 1.055 115 V CA 1.788 64.054 62.300 -0.055 0.000 1.038 115 V CB -0.646 31.213 31.823 0.060 0.000 0.651 115 V HN 0.432 nan 8.190 nan 0.000 0.450 116 I N -0.258 120.320 120.570 0.014 0.000 2.286 116 I HA -0.124 4.045 4.170 -0.001 0.000 0.245 116 I C 2.588 178.726 176.117 0.036 0.000 1.104 116 I CA 1.372 62.717 61.300 0.074 0.000 1.397 116 I CB -1.466 36.589 38.000 0.092 0.000 1.072 116 I HN 0.256 nan 8.210 nan 0.000 0.417 117 S N 0.132 115.808 115.700 -0.039 0.000 2.370 117 S HA -0.233 4.237 4.470 -0.001 0.000 0.226 117 S C 2.028 176.592 174.600 -0.061 0.000 1.033 117 S CA 1.421 59.594 58.200 -0.044 0.000 1.011 117 S CB -0.446 62.724 63.200 -0.050 0.000 0.852 117 S HN 0.459 nan 8.310 nan 0.000 0.457 118 Y N 1.569 121.701 120.300 -0.280 0.000 2.130 118 Y HA 0.068 4.618 4.550 -0.001 0.000 0.287 118 Y C 1.901 177.737 175.900 -0.106 0.000 1.124 118 Y CA 1.337 59.285 58.100 -0.255 0.000 1.118 118 Y CB -0.223 37.938 38.460 -0.498 0.000 0.994 118 Y HN 0.109 nan 8.280 nan 0.000 0.497 119 L N -1.261 120.012 121.223 0.083 0.000 2.313 119 L HA -0.087 4.252 4.340 -0.001 0.000 0.214 119 L C 1.630 178.519 176.870 0.031 0.000 1.119 119 L CA 0.397 55.278 54.840 0.067 0.000 0.809 119 L CB -0.211 41.929 42.059 0.134 0.000 0.933 119 L HN 0.175 nan 8.230 nan 0.000 0.449 120 V N -1.093 118.855 119.914 0.057 0.000 2.868 120 V HA -0.041 4.078 4.120 -0.001 0.000 0.227 120 V C 1.650 177.783 176.094 0.065 0.000 1.136 120 V CA 0.834 63.192 62.300 0.098 0.000 1.206 120 V CB -0.276 31.683 31.823 0.227 0.000 0.997 120 V HN 0.165 nan 8.190 nan 0.000 0.505 121 D N 0.872 121.320 120.400 0.080 0.000 2.103 121 D HA -0.213 4.427 4.640 -0.001 0.000 0.190 121 D C 1.975 178.272 176.300 -0.005 0.000 0.997 121 D CA 1.620 55.650 54.000 0.050 0.000 0.833 121 D CB -0.328 40.507 40.800 0.058 0.000 0.961 121 D HN 0.205 nan 8.370 nan 0.000 0.447 122 L N 0.174 121.366 121.223 -0.051 0.000 2.083 122 L HA -0.151 4.188 4.340 -0.001 0.000 0.209 122 L C 1.900 178.723 176.870 -0.079 0.000 1.083 122 L CA 1.381 56.171 54.840 -0.084 0.000 0.752 122 L CB -0.302 41.655 42.059 -0.170 0.000 0.899 122 L HN 0.009 nan 8.230 nan 0.000 0.433 123 D N -0.686 119.661 120.400 -0.089 0.000 2.117 123 D HA -0.225 4.414 4.640 -0.001 0.000 0.197 123 D C 2.255 178.561 176.300 0.010 0.000 0.987 123 D CA 1.443 55.413 54.000 -0.050 0.000 0.829 123 D CB 0.042 40.819 40.800 -0.039 0.000 0.961 123 D HN 0.201 nan 8.370 nan 0.000 0.460 124 M N -0.603 119.013 119.600 0.027 0.000 2.229 124 M HA -0.103 4.376 4.480 -0.001 0.000 0.264 124 M C 2.153 178.513 176.300 0.100 0.000 1.063 124 M CA 0.573 55.914 55.300 0.069 0.000 1.114 124 M CB 0.079 32.715 32.600 0.061 0.000 1.387 124 M HN -0.008 nan 8.290 nan 0.000 0.420 125 V N 0.833 120.785 119.914 0.063 0.000 2.295 125 V HA -0.265 3.855 4.120 -0.001 0.000 0.246 125 V C 2.261 178.418 176.094 0.106 0.000 1.049 125 V CA 1.701 64.051 62.300 0.083 0.000 1.024 125 V CB -0.564 31.286 31.823 0.044 0.000 0.648 125 V HN 0.452 nan 8.190 nan 0.000 0.447 126 L N -0.626 120.640 121.223 0.072 0.000 2.017 126 L HA -0.218 4.122 4.340 -0.001 0.000 0.208 126 L C 2.576 179.507 176.870 0.101 0.000 1.073 126 L CA 1.804 56.690 54.840 0.077 0.000 0.745 126 L CB -0.634 41.450 42.059 0.041 0.000 0.894 126 L HN 0.264 nan 8.230 nan 0.000 0.432 127 K N -0.824 119.632 120.400 0.094 0.000 2.097 127 K HA -0.203 4.116 4.320 -0.001 0.000 0.206 127 K C 2.309 178.999 176.600 0.150 0.000 1.049 127 K CA 1.581 57.929 56.287 0.101 0.000 0.933 127 K CB -0.409 32.132 32.500 0.069 0.000 0.717 127 K HN 0.417 nan 8.250 nan 0.000 0.442 128 C N 0.957 120.372 119.300 0.191 0.000 2.453 128 C HA -0.011 4.449 4.460 -0.001 0.000 0.277 128 C C 2.366 177.581 174.990 0.375 0.000 1.262 128 C CA 0.458 59.648 59.018 0.287 0.000 1.718 128 C CB -0.869 27.099 27.740 0.379 0.000 2.031 128 C HN 0.386 nan 8.230 nan 0.000 0.480 129 L N 0.397 121.791 121.223 0.285 0.000 2.056 129 L HA -0.066 4.273 4.340 -0.001 0.000 0.207 129 L C 3.023 180.037 176.870 0.240 0.000 1.078 129 L CA 1.595 56.596 54.840 0.268 0.000 0.749 129 L CB -0.674 41.498 42.059 0.189 0.000 0.901 129 L HN 0.319 nan 8.230 nan 0.000 0.433 130 R N -1.343 119.269 120.500 0.186 0.000 2.148 130 R HA -0.179 4.161 4.340 -0.001 0.000 0.227 130 R C 2.218 178.591 176.300 0.122 0.000 1.103 130 R CA 1.227 57.407 56.100 0.133 0.000 0.983 130 R CB -0.364 29.995 30.300 0.099 0.000 0.874 130 R HN 0.279 nan 8.270 nan 0.000 0.451 131 Y N 0.195 120.504 120.300 0.015 0.000 2.133 131 Y HA -0.251 4.298 4.550 -0.001 0.000 0.287 131 Y C 1.661 177.508 175.900 -0.088 0.000 1.134 131 Y CA 1.434 59.474 58.100 -0.100 0.000 1.133 131 Y CB -0.479 37.872 38.460 -0.183 0.000 0.987 131 Y HN -0.029 nan 8.280 nan 0.000 0.502 132 Y N -0.147 120.263 120.300 0.185 0.000 2.333 132 Y HA -0.169 4.381 4.550 -0.001 0.000 0.290 132 Y C 2.618 178.564 175.900 0.078 0.000 1.144 132 Y CA 0.846 59.028 58.100 0.138 0.000 1.228 132 Y CB -0.603 37.977 38.460 0.201 0.000 0.985 132 Y HN 0.287 nan 8.280 nan 0.000 0.542 133 A N 0.238 123.170 122.820 0.187 0.000 1.908 133 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 133 A C 2.532 180.132 177.584 0.027 0.000 1.181 133 A CA 1.891 53.999 52.037 0.118 0.000 0.627 133 A CB -1.483 17.571 19.000 0.089 0.000 0.818 133 A HN 0.477 nan 8.150 nan 0.000 0.445 134 G N -2.407 106.336 108.800 -0.095 0.000 2.443 134 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.219 134 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.219 134 G C 1.365 176.114 174.900 -0.252 0.000 1.131 134 G CA 0.738 45.704 45.100 -0.223 0.000 0.775 134 G HN 0.689 nan 8.290 nan 0.000 0.547 135 W N 0.648 121.832 121.300 -0.194 0.000 2.584 135 W HA 0.261 4.920 4.660 -0.001 0.000 0.264 135 W C 2.802 179.296 176.519 -0.042 0.000 1.264 135 W CA 0.249 57.508 57.345 -0.144 0.000 1.306 135 W CB 0.262 29.639 29.460 -0.139 0.000 1.110 135 W HN 0.256 nan 8.180 nan 0.000 0.606 136 A N 1.160 124.114 122.820 0.224 0.000 1.940 136 A HA -0.306 4.014 4.320 -0.001 0.000 0.221 136 A C 1.353 179.012 177.584 0.126 0.000 1.190 136 A CA 2.472 54.603 52.037 0.157 0.000 0.647 136 A CB -0.890 18.173 19.000 0.106 0.000 0.821 136 A HN 0.383 nan 8.150 nan 0.000 0.457 137 D N -2.355 118.103 120.400 0.096 0.000 2.559 137 D HA 0.217 4.857 4.640 -0.001 0.000 0.234 137 D C 0.558 176.893 176.300 0.058 0.000 1.226 137 D CA -0.021 54.023 54.000 0.074 0.000 0.830 137 D CB 0.081 40.911 40.800 0.049 0.000 1.028 137 D HN 0.487 nan 8.370 nan 0.000 0.492 138 K N -0.746 119.704 120.400 0.083 0.000 2.477 138 K HA 0.049 4.369 4.320 -0.001 0.000 0.208 138 K C -0.407 176.126 176.600 -0.111 0.000 1.117 138 K CA -0.447 55.804 56.287 -0.060 0.000 1.039 138 K CB 0.824 33.317 32.500 -0.012 0.000 0.937 138 K HN -0.033 nan 8.250 nan 0.000 0.570 139 Y N 3.116 123.387 120.300 -0.048 0.000 2.636 139 Y HA 0.133 4.682 4.550 -0.001 0.000 0.334 139 Y C -0.429 175.411 175.900 -0.100 0.000 1.286 139 Y CA -1.181 56.876 58.100 -0.071 0.000 1.688 139 Y CB -1.043 37.404 38.460 -0.021 0.000 1.662 139 Y HN 0.077 nan 8.280 nan 0.000 0.465 140 H N 0.952 119.980 119.070 -0.071 0.000 2.852 140 H HA 0.327 4.883 4.556 -0.001 0.000 0.362 140 H C 0.968 175.907 175.328 -0.648 0.000 1.122 140 H CA 0.377 56.282 56.048 -0.240 0.000 1.419 140 H CB 0.755 30.444 29.762 -0.122 0.000 1.401 140 H HN 0.717 nan 8.280 nan 0.000 0.609 141 G N 0.738 109.256 108.800 -0.471 0.000 2.531 141 G HA2 0.469 4.428 3.960 -0.001 0.000 0.281 141 G HA3 0.469 4.428 3.960 -0.001 0.000 0.281 141 G C -0.749 173.995 174.900 -0.261 0.000 1.382 141 G CA -0.861 43.811 45.100 -0.712 0.000 1.045 141 G HN 0.543 nan 8.290 nan 0.000 0.533 142 K N -0.809 119.522 120.400 -0.116 0.000 2.443 142 K HA 0.546 4.865 4.320 -0.001 0.000 0.251 142 K C -1.015 175.622 176.600 0.061 0.000 0.972 142 K CA -0.701 55.574 56.287 -0.021 0.000 0.833 142 K CB 2.195 34.692 32.500 -0.004 0.000 1.317 142 K HN 0.596 nan 8.250 nan 0.000 0.441 143 T N -0.786 113.820 114.554 0.086 0.000 2.770 143 T HA 0.570 4.919 4.350 -0.001 0.000 0.283 143 T C -0.029 174.750 174.700 0.131 0.000 0.988 143 T CA -0.743 61.464 62.100 0.178 0.000 0.957 143 T CB -0.042 68.979 68.868 0.255 0.000 0.930 143 T HN 0.371 nan 8.240 nan 0.000 0.443 144 I N 5.195 125.837 120.570 0.121 0.000 2.377 144 I HA 0.356 4.525 4.170 -0.001 0.000 0.293 144 I C -1.864 174.320 176.117 0.110 0.000 0.987 144 I CA -2.775 58.575 61.300 0.084 0.000 1.185 144 I CB 2.176 40.199 38.000 0.037 0.000 1.341 144 I HN 0.467 nan 8.210 nan 0.000 0.455 145 P HA 0.175 nan 4.420 nan 0.000 0.225 145 P C -0.082 177.269 177.300 0.085 0.000 1.813 145 P CA -0.148 63.008 63.100 0.095 0.000 1.013 145 P CB -0.389 31.352 31.700 0.068 0.000 1.961 146 I N -1.800 118.829 120.570 0.099 0.000 3.004 146 I HA 0.300 4.470 4.170 -0.001 0.000 0.287 146 I C -0.080 176.113 176.117 0.127 0.000 1.144 146 I CA -0.331 61.021 61.300 0.087 0.000 1.353 146 I CB 0.447 38.480 38.000 0.055 0.000 1.417 146 I HN -0.145 nan 8.210 nan 0.000 0.602 147 D N 2.857 123.325 120.400 0.114 0.000 2.400 147 D HA 0.445 5.084 4.640 -0.001 0.000 0.238 147 D C 0.557 176.999 176.300 0.238 0.000 1.157 147 D CA 1.401 55.479 54.000 0.131 0.000 0.889 147 D CB 0.810 41.667 40.800 0.096 0.000 1.199 147 D HN 1.122 nan 8.370 nan 0.000 0.436 148 G N 1.325 110.224 108.800 0.164 0.000 2.796 148 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.571 148 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.571 148 G C -0.760 174.097 174.900 -0.071 0.000 1.370 148 G CA -0.739 44.430 45.100 0.115 0.000 0.856 148 G HN 0.509 nan 8.290 nan 0.000 0.538 149 D N 0.967 121.092 120.400 -0.458 0.000 2.608 149 D HA 0.482 5.121 4.640 -0.001 0.000 0.224 149 D C 0.000 175.791 176.300 -0.848 0.000 1.123 149 D CA 1.035 54.730 54.000 -0.508 0.000 1.030 149 D CB -0.519 40.039 40.800 -0.403 0.000 1.093 149 D HN 0.293 nan 8.370 nan 0.000 0.497 150 F N 0.407 120.403 119.950 0.075 0.000 2.626 150 F HA 0.406 4.933 4.527 -0.001 0.000 0.311 150 F C -0.483 175.433 175.800 0.194 0.000 1.088 150 F CA -1.473 56.589 58.000 0.104 0.000 0.949 150 F CB 1.665 40.699 39.000 0.056 0.000 1.322 150 F HN -0.139 nan 8.300 nan 0.000 0.461 151 F N 1.919 122.019 119.950 0.250 0.000 2.427 151 F HA 0.701 5.227 4.527 -0.001 0.000 0.348 151 F C -0.741 175.177 175.800 0.196 0.000 1.125 151 F CA -1.196 56.916 58.000 0.187 0.000 0.989 151 F CB 1.294 40.393 39.000 0.165 0.000 1.165 151 F HN 0.269 nan 8.300 nan 0.000 0.442 152 S N 6.664 122.343 115.700 -0.035 0.000 2.521 152 S HA 0.823 5.293 4.470 -0.001 0.000 0.295 152 S C -1.520 172.931 174.600 -0.249 0.000 1.098 152 S CA -0.292 57.753 58.200 -0.259 0.000 0.999 152 S CB 0.769 63.910 63.200 -0.098 0.000 1.034 152 S HN 0.718 nan 8.310 nan 0.000 0.483 153 Y N 0.019 120.068 120.300 -0.418 0.000 2.638 153 Y HA 0.781 5.331 4.550 -0.001 0.000 0.335 153 Y C -0.577 175.220 175.900 -0.172 0.000 1.155 153 Y CA -1.038 56.898 58.100 -0.273 0.000 1.046 153 Y CB 0.839 39.096 38.460 -0.338 0.000 1.303 153 Y HN 0.552 nan 8.280 nan 0.000 0.460 154 T N -0.350 114.251 114.554 0.078 0.000 2.887 154 T HA 0.732 5.082 4.350 -0.001 0.000 0.288 154 T C -0.897 173.890 174.700 0.145 0.000 1.021 154 T CA -1.081 61.042 62.100 0.038 0.000 1.000 154 T CB 1.916 70.823 68.868 0.065 0.000 1.034 154 T HN 0.819 nan 8.240 nan 0.000 0.467 155 R N 0.890 121.476 120.500 0.143 0.000 2.445 155 R HA 0.348 4.688 4.340 -0.001 0.000 0.308 155 R C -0.486 175.964 176.300 0.249 0.000 0.961 155 R CA -0.723 55.477 56.100 0.165 0.000 0.862 155 R CB 1.214 31.605 30.300 0.151 0.000 1.144 155 R HN 0.738 nan 8.270 nan 0.000 0.447 156 H N 2.431 121.530 119.070 0.048 0.000 2.787 156 H HA 0.134 4.690 4.556 -0.001 0.000 0.275 156 H C -0.365 175.024 175.328 0.101 0.000 1.183 156 H CA -0.378 55.704 56.048 0.058 0.000 1.290 156 H CB 0.934 30.706 29.762 0.017 0.000 1.438 156 H HN 0.396 nan 8.280 nan 0.000 0.487 157 E N 3.958 124.273 120.200 0.192 0.000 2.250 157 E HA 0.236 4.585 4.350 -0.001 0.000 0.265 157 E C -2.440 174.274 176.600 0.190 0.000 1.033 157 E CA -2.254 54.250 56.400 0.172 0.000 0.888 157 E CB 1.021 30.809 29.700 0.147 0.000 1.151 157 E HN 0.373 nan 8.360 nan 0.000 0.412 158 P HA -0.077 nan 4.420 nan 0.000 0.272 158 P C 0.523 177.946 177.300 0.205 0.000 1.223 158 P CA -0.048 63.211 63.100 0.266 0.000 0.784 158 P CB 0.707 32.677 31.700 0.449 0.000 0.923 159 V N 1.638 121.608 119.914 0.095 0.000 2.548 159 V HA 0.130 4.249 4.120 -0.001 0.000 0.249 159 V C 0.976 176.985 176.094 -0.141 0.000 1.055 159 V CA 2.569 64.871 62.300 0.005 0.000 1.065 159 V CB -1.100 30.709 31.823 -0.024 0.000 0.681 159 V HN 0.930 nan 8.190 nan 0.000 0.462 160 G N -0.749 107.818 108.800 -0.388 0.000 2.348 160 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.199 160 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.199 160 G C -0.465 174.048 174.900 -0.645 0.000 1.235 160 G CA -0.242 44.234 45.100 -1.039 0.000 1.264 160 G HN 0.653 nan 8.290 nan 0.000 0.543 161 V N 1.295 120.947 119.914 -0.436 0.000 2.397 161 V HA 0.358 4.478 4.120 -0.001 0.000 0.262 161 V C 0.494 176.517 176.094 -0.118 0.000 1.047 161 V CA -0.035 62.135 62.300 -0.217 0.000 1.003 161 V CB -0.029 31.703 31.823 -0.152 0.000 1.037 161 V HN 0.793 nan 8.190 nan 0.000 0.480 162 C N 5.026 124.293 119.300 -0.054 0.000 2.255 162 C HA 0.659 5.118 4.460 -0.001 0.000 0.326 162 C C 1.124 176.131 174.990 0.029 0.000 1.258 162 C CA -0.962 58.072 59.018 0.026 0.000 1.676 162 C CB 0.135 27.976 27.740 0.168 0.000 2.314 162 C HN 0.970 nan 8.230 nan 0.000 0.509 163 G N 3.108 111.923 108.800 0.025 0.000 2.353 163 G HA2 0.509 4.469 3.960 -0.001 0.000 0.284 163 G HA3 0.509 4.469 3.960 -0.001 0.000 0.284 163 G C -0.767 174.178 174.900 0.075 0.000 1.172 163 G CA -0.144 44.976 45.100 0.033 0.000 0.854 163 G HN 0.815 nan 8.290 nan 0.000 0.485 164 Q N 1.645 121.491 119.800 0.076 0.000 2.309 164 Q HA 0.398 4.737 4.340 -0.001 0.000 0.270 164 Q C -0.764 175.289 176.000 0.088 0.000 1.023 164 Q CA -0.409 55.452 55.803 0.096 0.000 0.758 164 Q CB 2.628 31.416 28.738 0.084 0.000 1.247 164 Q HN 0.522 nan 8.270 nan 0.000 0.455 165 I N 4.944 125.585 120.570 0.119 0.000 2.355 165 I HA 0.452 4.621 4.170 -0.001 0.000 0.288 165 I C -0.049 176.070 176.117 0.004 0.000 0.999 165 I CA -0.770 60.603 61.300 0.122 0.000 1.163 165 I CB 0.797 38.970 38.000 0.289 0.000 1.316 165 I HN 0.522 nan 8.210 nan 0.000 0.454 166 I N 5.422 125.982 120.570 -0.017 0.000 2.797 166 I HA 0.750 4.920 4.170 -0.001 0.000 0.307 166 I C -2.655 173.403 176.117 -0.099 0.000 1.033 166 I CA -2.217 59.029 61.300 -0.089 0.000 1.071 166 I CB 2.132 40.103 38.000 -0.048 0.000 1.255 166 I HN 0.234 nan 8.210 nan 0.000 0.445 167 P HA 0.184 nan 4.420 nan 0.000 0.306 167 P C -0.195 177.020 177.300 -0.142 0.000 1.309 167 P CA -0.201 62.750 63.100 -0.249 0.000 0.759 167 P CB 0.743 32.162 31.700 -0.469 0.000 1.314 168 W N 0.130 121.417 121.300 -0.021 0.000 3.177 168 W HA 0.067 4.726 4.660 -0.001 0.000 0.309 168 W C 0.943 177.395 176.519 -0.112 0.000 1.224 168 W CA 0.154 57.470 57.345 -0.047 0.000 1.718 168 W CB -1.488 27.951 29.460 -0.034 0.000 1.078 168 W HN 0.207 nan 8.180 nan 0.000 0.618 169 N N 2.103 120.615 118.700 -0.312 0.000 2.244 169 N HA -0.178 4.561 4.740 -0.001 0.000 0.183 169 N C -0.114 174.944 175.510 -0.754 0.000 1.016 169 N CA 0.875 53.666 53.050 -0.431 0.000 0.866 169 N CB -1.117 37.000 38.487 -0.617 0.000 0.980 169 N HN 0.104 nan 8.380 nan 0.000 0.430 170 F N -0.280 119.550 119.950 -0.200 0.000 2.710 170 F HA 0.427 4.953 4.527 -0.001 0.000 0.345 170 F C -1.824 173.851 175.800 -0.208 0.000 1.362 170 F CA -2.070 55.789 58.000 -0.235 0.000 1.175 170 F CB 2.081 40.850 39.000 -0.384 0.000 1.561 170 F HN -0.166 nan 8.300 nan 0.000 0.593 171 P HA -0.222 nan 4.420 nan 0.000 0.214 171 P C 1.899 179.186 177.300 -0.021 0.000 1.169 171 P CA 1.712 64.807 63.100 -0.009 0.000 0.908 171 P CB 0.412 32.119 31.700 0.013 0.000 0.791 172 L N -2.036 119.178 121.223 -0.016 0.000 2.056 172 L HA -0.149 4.190 4.340 -0.001 0.000 0.207 172 L C 2.451 179.284 176.870 -0.062 0.000 1.078 172 L CA 0.917 55.748 54.840 -0.015 0.000 0.749 172 L CB -0.945 41.117 42.059 0.005 0.000 0.901 172 L HN -0.015 nan 8.230 nan 0.000 0.433 173 L N -0.620 120.528 121.223 -0.125 0.000 2.046 173 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 173 L C 2.501 179.073 176.870 -0.497 0.000 1.077 173 L CA 1.801 56.446 54.840 -0.325 0.000 0.747 173 L CB -0.425 41.343 42.059 -0.484 0.000 0.896 173 L HN 0.170 nan 8.230 nan 0.000 0.432 174 M N -1.119 118.253 119.600 -0.381 0.000 2.117 174 M HA -0.245 4.234 4.480 -0.001 0.000 0.262 174 M C 2.268 178.526 176.300 -0.071 0.000 1.065 174 M CA 1.795 56.934 55.300 -0.269 0.000 1.114 174 M CB -1.087 31.415 32.600 -0.164 0.000 1.361 174 M HN 0.497 nan 8.290 nan 0.000 0.408 175 Q N 0.250 120.017 119.800 -0.055 0.000 2.084 175 Q HA -0.147 4.193 4.340 -0.001 0.000 0.202 175 Q C 1.993 178.001 176.000 0.013 0.000 0.978 175 Q CA 2.007 57.801 55.803 -0.015 0.000 0.844 175 Q CB -0.033 28.695 28.738 -0.017 0.000 0.898 175 Q HN 0.481 nan 8.270 nan 0.000 0.426 176 A N -0.066 122.773 122.820 0.032 0.000 1.898 176 A HA -0.157 4.163 4.320 -0.001 0.000 0.216 176 A C 1.532 179.256 177.584 0.234 0.000 1.181 176 A CA 1.065 53.168 52.037 0.110 0.000 0.620 176 A CB -1.048 18.032 19.000 0.133 0.000 0.819 176 A HN 0.630 nan 8.150 nan 0.000 0.442 177 W N 0.575 121.876 121.300 0.001 0.000 2.392 177 W HA -0.051 4.608 4.660 -0.001 0.000 0.279 177 W C 2.075 178.557 176.519 -0.061 0.000 1.225 177 W CA 1.281 58.631 57.345 0.008 0.000 1.233 177 W CB -0.190 29.277 29.460 0.012 0.000 1.122 177 W HN 0.252 nan 8.180 nan 0.000 0.561 178 K N -0.397 120.093 120.400 0.149 0.000 2.099 178 K HA 0.082 4.402 4.320 -0.001 0.000 0.203 178 K C 2.067 178.577 176.600 -0.151 0.000 1.047 178 K CA 0.636 56.933 56.287 0.017 0.000 0.963 178 K CB -0.929 31.604 32.500 0.055 0.000 0.759 178 K HN 0.197 nan 8.250 nan 0.000 0.451 179 L N 0.516 121.679 121.223 -0.101 0.000 2.046 179 L HA -0.113 4.227 4.340 -0.001 0.000 0.208 179 L C 2.508 179.269 176.870 -0.181 0.000 1.077 179 L CA 1.448 56.197 54.840 -0.151 0.000 0.747 179 L CB -1.114 40.870 42.059 -0.126 0.000 0.896 179 L HN 0.278 nan 8.230 nan 0.000 0.432 180 G N 1.188 109.903 108.800 -0.141 0.000 2.545 180 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.217 180 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.217 180 G C -0.494 174.102 174.900 -0.507 0.000 1.218 180 G CA 1.132 46.135 45.100 -0.162 0.000 0.787 180 G HN 0.325 nan 8.290 nan 0.000 0.571 181 P HA 0.016 nan 4.420 nan 0.000 0.217 181 P C 2.049 178.957 177.300 -0.653 0.000 1.151 181 P CA 1.912 64.460 63.100 -0.920 0.000 0.828 181 P CB -0.129 31.050 31.700 -0.869 0.000 0.788 182 A N 0.548 122.836 122.820 -0.886 0.000 1.877 182 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 182 A C 2.455 179.952 177.584 -0.145 0.000 1.186 182 A CA 1.504 53.104 52.037 -0.729 0.000 0.620 182 A CB -1.591 17.001 19.000 -0.680 0.000 0.822 182 A HN 0.122 nan 8.150 nan 0.000 0.443 183 L N -1.021 120.180 121.223 -0.037 0.000 2.109 183 L HA -0.090 4.249 4.340 -0.001 0.000 0.207 183 L C 3.053 180.100 176.870 0.296 0.000 1.086 183 L CA 0.816 55.830 54.840 0.290 0.000 0.760 183 L CB -0.588 41.635 42.059 0.274 0.000 0.910 183 L HN 0.425 nan 8.230 nan 0.000 0.437 184 A N 0.303 123.207 122.820 0.139 0.000 1.978 184 A HA -0.197 4.123 4.320 -0.001 0.000 0.220 184 A C 2.164 179.810 177.584 0.103 0.000 1.170 184 A CA 2.195 54.321 52.037 0.149 0.000 0.636 184 A CB -0.849 18.261 19.000 0.183 0.000 0.810 184 A HN 0.510 nan 8.150 nan 0.000 0.448 185 T N -4.246 110.349 114.554 0.069 0.000 3.163 185 T HA 0.431 4.781 4.350 -0.001 0.000 0.252 185 T C 1.165 175.931 174.700 0.111 0.000 1.056 185 T CA 0.871 63.023 62.100 0.088 0.000 0.947 185 T CB -0.070 68.846 68.868 0.081 0.000 1.016 185 T HN 1.681 nan 8.240 nan 0.000 0.554 186 G N 1.615 110.473 108.800 0.097 0.000 2.147 186 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.244 186 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.244 186 G C -0.013 175.141 174.900 0.424 0.000 1.005 186 G CA -0.227 44.885 45.100 0.021 0.000 0.713 186 G HN 0.590 nan 8.290 nan 0.000 0.515 187 N N -0.764 118.219 118.700 0.471 0.000 2.413 187 N HA 0.621 5.361 4.740 -0.001 0.000 0.266 187 N C 0.460 176.262 175.510 0.487 0.000 1.238 187 N CA 0.467 53.751 53.050 0.389 0.000 0.972 187 N CB 1.811 40.414 38.487 0.194 0.000 1.210 187 N HN 0.696 nan 8.380 nan 0.000 0.547 188 V N -2.002 118.023 119.914 0.186 0.000 2.769 188 V HA 0.721 4.841 4.120 -0.001 0.000 0.312 188 V C -0.190 175.891 176.094 -0.022 0.000 1.061 188 V CA -0.755 61.579 62.300 0.058 0.000 0.931 188 V CB 1.621 33.487 31.823 0.073 0.000 1.010 188 V HN 0.236 nan 8.190 nan 0.000 0.433 189 V N 3.058 122.935 119.914 -0.061 0.000 2.769 189 V HA 0.628 4.748 4.120 -0.001 0.000 0.312 189 V C -0.489 175.574 176.094 -0.051 0.000 1.061 189 V CA -0.573 61.697 62.300 -0.049 0.000 0.931 189 V CB 2.192 33.976 31.823 -0.064 0.000 1.010 189 V HN 0.793 nan 8.190 nan 0.000 0.433 190 V N 5.069 124.963 119.914 -0.034 0.000 2.357 190 V HA 0.429 4.549 4.120 -0.001 0.000 0.281 190 V C -0.222 175.873 176.094 0.000 0.000 1.015 190 V CA -0.202 62.080 62.300 -0.029 0.000 0.827 190 V CB 1.327 33.116 31.823 -0.057 0.000 1.018 190 V HN 0.891 nan 8.190 nan 0.000 0.432 191 M N 4.969 124.575 119.600 0.010 0.000 2.238 191 M HA 0.553 5.032 4.480 -0.001 0.000 0.350 191 M C -0.493 175.833 176.300 0.044 0.000 1.138 191 M CA -0.490 54.826 55.300 0.026 0.000 1.040 191 M CB 1.121 33.727 32.600 0.010 0.000 1.639 191 M HN 0.337 nan 8.290 nan 0.000 0.451 192 K N 5.897 126.329 120.400 0.054 0.000 2.414 192 K HA 0.312 4.632 4.320 -0.001 0.000 0.251 192 K C -1.006 175.630 176.600 0.060 0.000 1.037 192 K CA -0.332 55.992 56.287 0.062 0.000 0.980 192 K CB 0.444 32.987 32.500 0.071 0.000 1.280 192 K HN 0.711 nan 8.250 nan 0.000 0.451 193 V N 0.872 120.824 119.914 0.063 0.000 3.133 193 V HA 0.524 4.644 4.120 -0.001 0.000 0.305 193 V C 0.570 176.704 176.094 0.067 0.000 1.084 193 V CA -0.959 61.380 62.300 0.064 0.000 1.089 193 V CB 0.763 32.632 31.823 0.077 0.000 1.073 193 V HN 0.656 nan 8.190 nan 0.000 0.477 194 A N 2.604 125.475 122.820 0.086 0.000 2.477 194 A HA 0.307 4.627 4.320 -0.001 0.000 0.246 194 A C 1.332 178.966 177.584 0.083 0.000 1.078 194 A CA 0.243 52.350 52.037 0.117 0.000 0.770 194 A CB 0.081 19.220 19.000 0.231 0.000 1.011 194 A HN 1.125 nan 8.150 nan 0.000 0.494 195 E N 2.191 122.379 120.200 -0.020 0.000 2.153 195 E HA -0.274 4.075 4.350 -0.001 0.000 0.194 195 E C 1.095 177.747 176.600 0.087 0.000 0.988 195 E CA 1.749 58.061 56.400 -0.146 0.000 0.811 195 E CB -0.314 29.030 29.700 -0.594 0.000 0.746 195 E HN 0.822 nan 8.360 nan 0.000 0.466 196 Q N 0.786 120.621 119.800 0.060 0.000 2.230 196 Q HA -0.008 4.332 4.340 -0.001 0.000 0.202 196 Q C 0.730 176.760 176.000 0.050 0.000 0.963 196 Q CA 1.731 57.539 55.803 0.010 0.000 0.866 196 Q CB 0.277 28.908 28.738 -0.178 0.000 0.931 196 Q HN 0.476 nan 8.270 nan 0.000 0.452 197 T N -3.472 111.145 114.554 0.106 0.000 3.542 197 T HA 0.302 4.652 4.350 -0.001 0.000 0.276 197 T C -2.459 172.296 174.700 0.093 0.000 1.412 197 T CA -1.342 60.811 62.100 0.088 0.000 1.664 197 T CB 1.195 70.127 68.868 0.106 0.000 0.863 197 T HN -0.041 nan 8.240 nan 0.000 0.661 198 P HA 0.223 nan 4.420 nan 0.000 0.238 198 P C 1.602 178.950 177.300 0.079 0.000 1.183 198 P CA -0.132 63.032 63.100 0.106 0.000 0.813 198 P CB 0.374 32.169 31.700 0.159 0.000 0.944 199 L N 0.612 121.863 121.223 0.047 0.000 1.989 199 L HA -0.158 4.182 4.340 -0.001 0.000 0.211 199 L C 2.785 179.710 176.870 0.091 0.000 1.071 199 L CA 2.722 57.589 54.840 0.046 0.000 0.749 199 L CB -2.212 39.849 42.059 0.003 0.000 0.890 199 L HN 0.090 nan 8.230 nan 0.000 0.431 200 T N -1.886 112.708 114.554 0.067 0.000 2.759 200 T HA -0.161 4.188 4.350 -0.001 0.000 0.269 200 T C 1.971 176.755 174.700 0.140 0.000 1.042 200 T CA 1.050 63.207 62.100 0.095 0.000 1.140 200 T CB -0.510 68.382 68.868 0.040 0.000 0.864 200 T HN 0.347 nan 8.240 nan 0.000 0.455 201 A N 1.690 124.569 122.820 0.098 0.000 1.933 201 A HA 0.154 4.474 4.320 -0.001 0.000 0.218 201 A C 2.464 180.104 177.584 0.092 0.000 1.175 201 A CA 1.265 53.346 52.037 0.074 0.000 0.628 201 A CB -0.877 18.157 19.000 0.057 0.000 0.814 201 A HN 0.544 nan 8.150 nan 0.000 0.444 202 L N -2.317 119.001 121.223 0.158 0.000 2.093 202 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 202 L C 2.588 179.626 176.870 0.279 0.000 1.085 202 L CA 1.682 56.680 54.840 0.264 0.000 0.755 202 L CB -0.639 41.554 42.059 0.224 0.000 0.904 202 L HN 0.578 nan 8.230 nan 0.000 0.435 203 Y N 0.282 120.668 120.300 0.143 0.000 2.224 203 Y HA -0.205 4.345 4.550 -0.001 0.000 0.289 203 Y C 2.385 178.361 175.900 0.125 0.000 1.146 203 Y CA 1.318 59.525 58.100 0.178 0.000 1.182 203 Y CB -0.156 38.461 38.460 0.260 0.000 0.983 203 Y HN -0.170 nan 8.280 nan 0.000 0.524 204 V N 0.259 120.227 119.914 0.090 0.000 2.407 204 V HA -0.333 3.786 4.120 -0.001 0.000 0.248 204 V C 2.638 178.603 176.094 -0.215 0.000 1.055 204 V CA 1.639 63.916 62.300 -0.038 0.000 1.049 204 V CB -1.476 30.352 31.823 0.008 0.000 0.662 204 V HN 0.569 nan 8.190 nan 0.000 0.455 205 A N 0.199 122.827 122.820 -0.320 0.000 1.940 205 A HA -0.293 4.027 4.320 -0.001 0.000 0.219 205 A C 2.057 179.226 177.584 -0.692 0.000 1.176 205 A CA 2.332 53.870 52.037 -0.831 0.000 0.631 205 A CB -0.762 17.417 19.000 -1.369 0.000 0.814 205 A HN 0.575 nan 8.150 nan 0.000 0.446 206 N N -0.124 118.415 118.700 -0.269 0.000 2.166 206 N HA -0.053 4.687 4.740 -0.001 0.000 0.186 206 N C 1.526 176.946 175.510 -0.151 0.000 1.019 206 N CA 1.258 54.260 53.050 -0.081 0.000 0.856 206 N CB -0.354 38.052 38.487 -0.135 0.000 0.993 206 N HN 0.527 nan 8.380 nan 0.000 0.426 207 L N -0.253 120.829 121.223 -0.235 0.000 2.156 207 L HA -0.015 4.324 4.340 -0.001 0.000 0.208 207 L C 1.970 178.833 176.870 -0.011 0.000 1.095 207 L CA 0.558 55.331 54.840 -0.112 0.000 0.770 207 L CB -0.274 41.737 42.059 -0.081 0.000 0.914 207 L HN 0.163 nan 8.230 nan 0.000 0.439 208 I N 0.239 120.766 120.570 -0.072 0.000 2.226 208 I HA -0.314 3.855 4.170 -0.001 0.000 0.245 208 I C 2.753 178.984 176.117 0.189 0.000 1.100 208 I CA 1.399 62.699 61.300 -0.000 0.000 1.374 208 I CB -0.227 37.623 38.000 -0.251 0.000 1.057 208 I HN 0.256 nan 8.210 nan 0.000 0.413 209 K N 1.163 121.648 120.400 0.142 0.000 2.026 209 K HA -0.262 4.058 4.320 -0.001 0.000 0.208 209 K C 2.101 178.783 176.600 0.135 0.000 1.048 209 K CA 1.778 58.180 56.287 0.192 0.000 0.929 209 K CB -0.134 32.502 32.500 0.228 0.000 0.713 209 K HN 0.254 nan 8.250 nan 0.000 0.439 210 E N -0.130 120.126 120.200 0.093 0.000 2.153 210 E HA -0.181 4.169 4.350 -0.001 0.000 0.194 210 E C 1.641 178.290 176.600 0.082 0.000 0.988 210 E CA 0.985 57.425 56.400 0.068 0.000 0.811 210 E CB -0.109 29.610 29.700 0.031 0.000 0.746 210 E HN 0.467 nan 8.360 nan 0.000 0.466 211 A N -0.014 122.883 122.820 0.128 0.000 2.067 211 A HA 0.061 4.381 4.320 -0.001 0.000 0.219 211 A C 1.834 179.440 177.584 0.036 0.000 1.158 211 A CA 1.363 53.471 52.037 0.118 0.000 0.661 211 A CB -0.417 18.735 19.000 0.253 0.000 0.801 211 A HN 0.519 nan 8.150 nan 0.000 0.452 212 G N -2.786 106.063 108.800 0.081 0.000 2.154 212 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.186 212 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.186 212 G C -0.056 174.846 174.900 0.003 0.000 1.000 212 G CA -0.216 44.901 45.100 0.029 0.000 0.664 212 G HN 0.267 nan 8.290 nan 0.000 0.513 213 F N 1.535 121.503 119.950 0.030 0.000 2.529 213 F HA 0.414 4.941 4.527 -0.001 0.000 0.365 213 F C -1.146 174.624 175.800 -0.050 0.000 1.102 213 F CA -1.470 56.512 58.000 -0.030 0.000 1.271 213 F CB 0.496 39.416 39.000 -0.133 0.000 1.120 213 F HN -0.100 nan 8.300 nan 0.000 0.579 214 P HA 0.027 nan 4.420 nan 0.000 0.267 214 P C -2.514 174.776 177.300 -0.017 0.000 1.200 214 P CA -0.724 62.411 63.100 0.058 0.000 0.772 214 P CB 0.050 31.820 31.700 0.117 0.000 0.855 215 P HA 0.050 nan 4.420 nan 0.000 0.266 215 P C 1.015 178.253 177.300 -0.103 0.000 1.195 215 P CA 1.216 64.262 63.100 -0.089 0.000 0.768 215 P CB 0.186 31.840 31.700 -0.077 0.000 0.838 216 G N 1.088 109.796 108.800 -0.152 0.000 2.253 216 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.251 216 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.251 216 G C 1.056 175.868 174.900 -0.147 0.000 0.998 216 G CA 0.288 45.311 45.100 -0.129 0.000 0.621 216 G HN 0.394 nan 8.290 nan 0.000 0.524 217 V N 0.016 119.790 119.914 -0.233 0.000 2.343 217 V HA 0.052 4.171 4.120 -0.001 0.000 0.247 217 V C 1.476 177.391 176.094 -0.298 0.000 1.051 217 V CA 2.040 64.081 62.300 -0.432 0.000 1.036 217 V CB -0.068 31.261 31.823 -0.824 0.000 0.654 217 V HN 0.435 nan 8.190 nan 0.000 0.451 218 V N 1.617 121.412 119.914 -0.200 0.000 2.483 218 V HA 0.470 4.589 4.120 -0.001 0.000 0.297 218 V C -0.796 175.326 176.094 0.048 0.000 1.027 218 V CA -0.767 61.463 62.300 -0.117 0.000 0.855 218 V CB 1.715 33.419 31.823 -0.197 0.000 0.995 218 V HN 0.436 nan 8.190 nan 0.000 0.424 219 N N 5.358 124.073 118.700 0.024 0.000 2.284 219 N HA 0.665 5.405 4.740 -0.001 0.000 0.300 219 N C -1.219 174.343 175.510 0.087 0.000 1.047 219 N CA -0.429 52.664 53.050 0.072 0.000 0.821 219 N CB 3.094 41.553 38.487 -0.046 0.000 1.337 219 N HN 0.489 nan 8.380 nan 0.000 0.482 220 I N 1.405 122.071 120.570 0.160 0.000 2.418 220 I HA 0.304 4.474 4.170 -0.001 0.000 0.287 220 I C -0.492 175.709 176.117 0.140 0.000 1.008 220 I CA -0.981 60.388 61.300 0.115 0.000 1.104 220 I CB 2.166 40.220 38.000 0.090 0.000 1.264 220 I HN 0.053 nan 8.210 nan 0.000 0.438 221 V N 7.847 127.824 119.914 0.104 0.000 2.284 221 V HA 0.297 4.417 4.120 -0.001 0.000 0.274 221 V C -2.100 174.066 176.094 0.121 0.000 1.023 221 V CA -1.573 60.793 62.300 0.111 0.000 0.808 221 V CB 0.953 32.819 31.823 0.071 0.000 1.035 221 V HN 0.558 nan 8.190 nan 0.000 0.445 222 P HA 0.582 nan 4.420 nan 0.000 0.275 222 P C 0.186 177.577 177.300 0.152 0.000 1.228 222 P CA 0.469 63.684 63.100 0.191 0.000 0.786 222 P CB 2.067 33.929 31.700 0.271 0.000 0.927 223 G N 0.722 109.475 108.800 -0.078 0.000 2.343 223 G HA2 0.295 4.254 3.960 -0.001 0.000 0.289 223 G HA3 0.295 4.254 3.960 -0.001 0.000 0.289 223 G C -1.500 173.024 174.900 -0.627 0.000 1.295 223 G CA -0.866 43.994 45.100 -0.401 0.000 0.869 223 G HN 0.253 nan 8.290 nan 0.000 0.522 224 F N 0.285 120.087 119.950 -0.247 0.000 2.362 224 F HA 0.537 5.064 4.527 -0.001 0.000 0.311 224 F C 1.911 177.676 175.800 -0.059 0.000 1.161 224 F CA 0.776 58.669 58.000 -0.178 0.000 1.085 224 F CB 1.038 39.934 39.000 -0.173 0.000 1.311 224 F HN 0.644 nan 8.300 nan 0.000 0.524 225 G N 0.095 109.012 108.800 0.196 0.000 2.454 225 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.214 225 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.214 225 G C -1.045 173.915 174.900 0.100 0.000 1.217 225 G CA 0.436 45.617 45.100 0.135 0.000 0.799 225 G HN 0.461 nan 8.290 nan 0.000 0.538 226 P HA -0.026 nan 4.420 nan 0.000 0.223 226 P C 1.740 179.068 177.300 0.047 0.000 1.144 226 P CA 1.949 65.074 63.100 0.042 0.000 0.783 226 P CB 0.031 31.740 31.700 0.015 0.000 0.771 227 T N -3.715 110.887 114.554 0.080 0.000 3.523 227 T HA 0.275 4.624 4.350 -0.001 0.000 0.216 227 T C 1.940 176.686 174.700 0.077 0.000 0.922 227 T CA 0.565 62.713 62.100 0.079 0.000 1.558 227 T CB -1.141 67.795 68.868 0.113 0.000 1.424 227 T HN -0.109 nan 8.240 nan 0.000 0.452 228 A N 1.769 124.640 122.820 0.086 0.000 1.877 228 A HA 0.220 4.540 4.320 -0.001 0.000 0.216 228 A C 2.648 180.274 177.584 0.071 0.000 1.186 228 A CA 2.062 54.143 52.037 0.073 0.000 0.620 228 A CB -1.796 17.240 19.000 0.060 0.000 0.822 228 A HN 0.717 nan 8.150 nan 0.000 0.443 229 G N -0.514 108.332 108.800 0.077 0.000 2.459 229 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.217 229 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.217 229 G C 1.760 176.698 174.900 0.062 0.000 1.183 229 G CA 1.613 46.763 45.100 0.084 0.000 0.776 229 G HN 0.873 nan 8.290 nan 0.000 0.552 230 A N 0.973 123.821 122.820 0.047 0.000 1.972 230 A HA 0.315 4.634 4.320 -0.001 0.000 0.219 230 A C 2.768 180.376 177.584 0.039 0.000 1.169 230 A CA 2.064 54.116 52.037 0.025 0.000 0.635 230 A CB -0.620 18.388 19.000 0.014 0.000 0.810 230 A HN 0.796 nan 8.150 nan 0.000 0.446 231 A N -0.024 122.831 122.820 0.058 0.000 1.933 231 A HA -0.067 4.253 4.320 -0.001 0.000 0.218 231 A C 2.093 179.750 177.584 0.121 0.000 1.175 231 A CA 1.497 53.583 52.037 0.083 0.000 0.628 231 A CB -0.506 18.549 19.000 0.091 0.000 0.814 231 A HN 0.510 nan 8.150 nan 0.000 0.444 232 I N -0.533 120.092 120.570 0.091 0.000 2.233 232 I HA -0.212 3.958 4.170 -0.001 0.000 0.243 232 I C 2.991 179.157 176.117 0.081 0.000 1.093 232 I CA 0.949 62.297 61.300 0.080 0.000 1.380 232 I CB -0.395 37.638 38.000 0.055 0.000 1.067 232 I HN 0.340 nan 8.210 nan 0.000 0.413 233 A N -0.015 122.837 122.820 0.054 0.000 1.940 233 A HA -0.185 4.135 4.320 -0.001 0.000 0.219 233 A C 2.306 179.907 177.584 0.029 0.000 1.176 233 A CA 2.220 54.272 52.037 0.026 0.000 0.631 233 A CB -0.568 18.424 19.000 -0.013 0.000 0.814 233 A HN 0.410 nan 8.150 nan 0.000 0.446 234 S N -1.074 114.648 115.700 0.036 0.000 2.556 234 S HA 0.080 4.550 4.470 -0.001 0.000 0.216 234 S C 0.567 175.185 174.600 0.030 0.000 0.970 234 S CA -0.533 57.678 58.200 0.019 0.000 0.912 234 S CB -0.261 62.937 63.200 -0.004 0.000 0.790 234 S HN 0.661 nan 8.310 nan 0.000 0.504 235 H N 2.617 121.684 119.070 -0.005 0.000 2.928 235 H HA 0.074 4.629 4.556 -0.001 0.000 0.338 235 H C 0.817 176.142 175.328 -0.005 0.000 1.047 235 H CA 0.565 56.611 56.048 -0.003 0.000 1.435 235 H CB 0.668 30.430 29.762 -0.000 0.000 1.428 235 H HN 0.114 nan 8.280 nan 0.000 0.590 236 E N 2.969 123.096 120.200 -0.122 0.000 2.418 236 E HA -0.114 4.236 4.350 -0.001 0.000 0.197 236 E C 0.612 177.294 176.600 0.137 0.000 1.026 236 E CA 0.754 57.153 56.400 -0.002 0.000 0.862 236 E CB 0.201 29.852 29.700 -0.082 0.000 0.799 236 E HN 0.600 nan 8.360 nan 0.000 0.518 237 D N -0.474 120.170 120.400 0.406 0.000 2.501 237 D HA 0.058 4.698 4.640 -0.001 0.000 0.224 237 D C -0.850 175.512 176.300 0.103 0.000 1.202 237 D CA -0.041 54.097 54.000 0.231 0.000 0.829 237 D CB 0.636 41.571 40.800 0.224 0.000 1.023 237 D HN -0.232 nan 8.370 nan 0.000 0.499 238 V N 1.601 121.582 119.914 0.111 0.000 2.383 238 V HA 0.164 4.283 4.120 -0.001 0.000 0.275 238 V C 0.762 176.857 176.094 0.002 0.000 1.036 238 V CA -0.454 61.846 62.300 0.000 0.000 0.889 238 V CB 1.708 33.533 31.823 0.003 0.000 0.985 238 V HN 0.099 nan 8.190 nan 0.000 0.459 239 D N 2.972 123.349 120.400 -0.037 0.000 2.234 239 D HA 0.029 4.668 4.640 -0.001 0.000 0.205 239 D C 0.802 177.076 176.300 -0.043 0.000 0.962 239 D CA 0.983 54.958 54.000 -0.041 0.000 0.855 239 D CB 0.592 41.347 40.800 -0.076 0.000 0.951 239 D HN 0.400 nan 8.370 nan 0.000 0.500 240 K N 0.451 120.824 120.400 -0.045 0.000 2.546 240 K HA 0.345 4.664 4.320 -0.001 0.000 0.264 240 K C -2.098 174.487 176.600 -0.025 0.000 0.937 240 K CA -0.598 55.657 56.287 -0.053 0.000 0.833 240 K CB 2.938 35.377 32.500 -0.102 0.000 1.378 240 K HN -0.156 nan 8.250 nan 0.000 0.432 241 V N 2.313 122.216 119.914 -0.017 0.000 2.531 241 V HA 0.764 4.884 4.120 -0.001 0.000 0.301 241 V C -1.232 174.890 176.094 0.046 0.000 1.034 241 V CA -0.397 61.920 62.300 0.028 0.000 0.865 241 V CB 1.441 33.288 31.823 0.039 0.000 0.995 241 V HN 0.865 nan 8.190 nan 0.000 0.424 242 A N 6.761 129.635 122.820 0.090 0.000 2.288 242 A HA 0.838 5.158 4.320 -0.001 0.000 0.320 242 A C -1.188 176.515 177.584 0.197 0.000 1.217 242 A CA -0.432 51.676 52.037 0.118 0.000 0.840 242 A CB 0.775 19.858 19.000 0.139 0.000 1.179 242 A HN 1.131 nan 8.150 nan 0.000 0.504 243 F N 2.099 122.072 119.950 0.039 0.000 2.520 243 F HA 0.705 5.232 4.527 -0.001 0.000 0.322 243 F C -0.350 175.480 175.800 0.051 0.000 1.103 243 F CA -0.048 57.976 58.000 0.040 0.000 0.926 243 F CB 2.336 41.351 39.000 0.025 0.000 1.154 243 F HN 0.420 nan 8.300 nan 0.000 0.453 244 T N 4.449 118.455 114.554 -0.913 0.000 2.881 244 T HA 0.783 5.133 4.350 -0.001 0.000 0.291 244 T C -0.207 173.826 174.700 -1.111 0.000 0.990 244 T CA -0.265 61.424 62.100 -0.685 0.000 0.976 244 T CB 1.188 69.901 68.868 -0.258 0.000 0.970 244 T HN 1.138 nan 8.240 nan 0.000 0.438 245 G N 1.918 110.254 108.800 -0.773 0.000 2.452 245 G HA2 0.429 4.389 3.960 -0.001 0.000 0.224 245 G HA3 0.429 4.389 3.960 -0.001 0.000 0.224 245 G C -0.582 174.283 174.900 -0.058 0.000 1.208 245 G CA -0.244 44.585 45.100 -0.451 0.000 0.946 245 G HN 0.978 nan 8.290 nan 0.000 0.481 246 S N -0.321 115.447 115.700 0.112 0.000 2.572 246 S HA 0.421 4.890 4.470 -0.001 0.000 0.279 246 S C 1.330 176.066 174.600 0.226 0.000 1.341 246 S CA 1.072 59.342 58.200 0.117 0.000 1.043 246 S CB 1.307 64.568 63.200 0.103 0.000 0.887 246 S HN 0.846 nan 8.310 nan 0.000 0.516 247 T N 1.297 115.954 114.554 0.172 0.000 2.788 247 T HA -0.124 4.225 4.350 -0.001 0.000 0.268 247 T C 1.616 176.373 174.700 0.095 0.000 1.044 247 T CA 1.639 63.838 62.100 0.165 0.000 1.139 247 T CB -0.465 68.512 68.868 0.182 0.000 0.867 247 T HN 0.853 nan 8.240 nan 0.000 0.454 248 E N 0.474 120.721 120.200 0.079 0.000 2.058 248 E HA -0.145 4.205 4.350 -0.001 0.000 0.194 248 E C 1.948 178.541 176.600 -0.012 0.000 0.997 248 E CA 1.051 57.471 56.400 0.033 0.000 0.801 248 E CB -0.029 29.696 29.700 0.042 0.000 0.746 248 E HN 0.293 nan 8.360 nan 0.000 0.450 249 I N 0.779 121.347 120.570 -0.003 0.000 2.546 249 I HA -0.086 4.083 4.170 -0.001 0.000 0.255 249 I C 2.493 178.347 176.117 -0.438 0.000 1.163 249 I CA 1.176 62.383 61.300 -0.156 0.000 1.457 249 I CB -1.623 36.356 38.000 -0.035 0.000 1.092 249 I HN 0.217 nan 8.210 nan 0.000 0.434 250 G N 1.286 109.922 108.800 -0.274 0.000 2.442 250 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.219 250 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.219 250 G C 1.877 176.662 174.900 -0.191 0.000 1.141 250 G CA 0.409 45.351 45.100 -0.264 0.000 0.763 250 G HN 0.340 nan 8.290 nan 0.000 0.554 251 R N -0.204 120.229 120.500 -0.113 0.000 2.075 251 R HA 0.009 4.349 4.340 -0.001 0.000 0.232 251 R C 2.625 178.858 176.300 -0.111 0.000 1.126 251 R CA 1.078 57.127 56.100 -0.085 0.000 0.963 251 R CB -0.637 29.632 30.300 -0.052 0.000 0.858 251 R HN 0.286 nan 8.270 nan 0.000 0.435 252 V N 1.688 121.518 119.914 -0.140 0.000 2.332 252 V HA -0.246 3.874 4.120 -0.001 0.000 0.248 252 V C 2.338 178.337 176.094 -0.158 0.000 1.055 252 V CA 1.499 63.719 62.300 -0.133 0.000 1.038 252 V CB -0.438 31.306 31.823 -0.132 0.000 0.651 252 V HN 0.255 nan 8.190 nan 0.000 0.450 253 I N -0.087 120.331 120.570 -0.254 0.000 2.179 253 I HA -0.279 3.890 4.170 -0.001 0.000 0.242 253 I C 2.542 178.580 176.117 -0.132 0.000 1.088 253 I CA 1.902 63.060 61.300 -0.236 0.000 1.357 253 I CB -1.183 36.580 38.000 -0.395 0.000 1.051 253 I HN 0.446 nan 8.210 nan 0.000 0.409 254 Q N 0.620 120.349 119.800 -0.117 0.000 2.124 254 Q HA -0.138 4.202 4.340 -0.001 0.000 0.202 254 Q C 2.309 178.273 176.000 -0.059 0.000 0.977 254 Q CA 1.429 57.190 55.803 -0.071 0.000 0.850 254 Q CB 0.203 28.907 28.738 -0.057 0.000 0.901 254 Q HN 0.315 nan 8.270 nan 0.000 0.429 255 V N 0.588 120.463 119.914 -0.065 0.000 2.379 255 V HA -0.208 3.911 4.120 -0.001 0.000 0.245 255 V C 2.277 178.343 176.094 -0.046 0.000 1.044 255 V CA 1.605 63.874 62.300 -0.051 0.000 1.036 255 V CB -0.848 30.945 31.823 -0.050 0.000 0.664 255 V HN 0.507 nan 8.190 nan 0.000 0.453 256 A N 0.044 122.832 122.820 -0.054 0.000 1.933 256 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 256 A C 2.403 179.968 177.584 -0.032 0.000 1.175 256 A CA 2.015 54.026 52.037 -0.042 0.000 0.628 256 A CB -0.669 18.303 19.000 -0.047 0.000 0.814 256 A HN 0.551 nan 8.150 nan 0.000 0.444 257 A N -0.532 122.267 122.820 -0.035 0.000 1.898 257 A HA 0.169 4.488 4.320 -0.001 0.000 0.216 257 A C 2.390 179.960 177.584 -0.024 0.000 1.181 257 A CA 1.791 53.813 52.037 -0.025 0.000 0.620 257 A CB -1.297 17.686 19.000 -0.028 0.000 0.819 257 A HN 0.704 nan 8.150 nan 0.000 0.442 258 G N -0.943 107.839 108.800 -0.029 0.000 2.422 258 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.218 258 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.218 258 G C 1.640 176.525 174.900 -0.024 0.000 1.140 258 G CA 1.235 46.319 45.100 -0.027 0.000 0.775 258 G HN 0.495 nan 8.290 nan 0.000 0.545 259 S N 0.198 115.883 115.700 -0.026 0.000 2.527 259 S HA 0.040 4.510 4.470 -0.001 0.000 0.222 259 S C 2.341 176.927 174.600 -0.023 0.000 0.985 259 S CA 0.910 59.096 58.200 -0.024 0.000 0.921 259 S CB 0.101 63.285 63.200 -0.026 0.000 0.772 259 S HN 0.628 nan 8.310 nan 0.000 0.529 260 S N 3.261 118.949 115.700 -0.021 0.000 2.755 260 S HA 0.092 4.561 4.470 -0.001 0.000 0.165 260 S C 0.985 175.576 174.600 -0.015 0.000 0.723 260 S CA 0.286 58.474 58.200 -0.019 0.000 0.867 260 S CB -0.506 62.686 63.200 -0.014 0.000 0.740 260 S HN 0.483 nan 8.310 nan 0.000 0.568 261 N N 1.131 119.826 118.700 -0.007 0.000 2.238 261 N HA 0.284 5.024 4.740 -0.001 0.000 0.235 261 N C 0.092 175.598 175.510 -0.006 0.000 1.209 261 N CA -0.154 52.894 53.050 -0.003 0.000 0.879 261 N CB -0.392 38.101 38.487 0.009 0.000 1.136 261 N HN 0.596 nan 8.380 nan 0.000 0.517 262 L N -0.140 121.076 121.223 -0.011 0.000 3.717 262 L HA -0.294 4.046 4.340 -0.001 0.000 0.414 262 L C -0.038 176.822 176.870 -0.017 0.000 1.228 262 L CA 0.630 55.461 54.840 -0.016 0.000 0.918 262 L CB -1.628 40.421 42.059 -0.016 0.000 1.865 262 L HN 0.463 nan 8.230 nan 0.000 0.922 263 K N 0.364 120.756 120.400 -0.013 0.000 2.336 263 K HA 0.401 4.721 4.320 -0.001 0.000 0.262 263 K C 0.341 176.923 176.600 -0.029 0.000 0.992 263 K CA -0.573 55.704 56.287 -0.017 0.000 0.927 263 K CB 0.545 33.040 32.500 -0.008 0.000 0.956 263 K HN 0.143 nan 8.250 nan 0.000 0.495 264 R N 0.832 121.307 120.500 -0.042 0.000 2.543 264 R HA 0.195 4.534 4.340 -0.001 0.000 0.277 264 R C -0.621 175.645 176.300 -0.057 0.000 1.074 264 R CA -0.462 55.604 56.100 -0.057 0.000 1.076 264 R CB 0.831 31.082 30.300 -0.081 0.000 0.993 264 R HN 0.383 nan 8.270 nan 0.000 0.459 265 V N 1.710 121.593 119.914 -0.051 0.000 2.709 265 V HA 0.406 4.525 4.120 -0.001 0.000 0.308 265 V C -0.214 175.861 176.094 -0.031 0.000 1.062 265 V CA -0.830 61.450 62.300 -0.033 0.000 0.901 265 V CB 2.101 33.911 31.823 -0.022 0.000 1.003 265 V HN 0.988 nan 8.190 nan 0.000 0.425 266 T N 2.743 117.291 114.554 -0.010 0.000 2.876 266 T HA 0.870 5.219 4.350 -0.001 0.000 0.289 266 T C -1.043 173.705 174.700 0.080 0.000 1.014 266 T CA -0.695 61.407 62.100 0.004 0.000 0.986 266 T CB 1.648 70.493 68.868 -0.037 0.000 1.021 266 T HN 0.402 nan 8.240 nan 0.000 0.458 267 L N 1.448 122.726 121.223 0.092 0.000 2.408 267 L HA 0.686 5.025 4.340 -0.001 0.000 0.268 267 L C -0.690 176.252 176.870 0.121 0.000 0.986 267 L CA -0.971 53.970 54.840 0.169 0.000 0.820 267 L CB 2.403 44.570 42.059 0.181 0.000 1.303 267 L HN 0.656 nan 8.230 nan 0.000 0.411 268 E N 3.054 123.324 120.200 0.116 0.000 2.267 268 E HA 0.566 4.916 4.350 -0.001 0.000 0.248 268 E C -0.900 175.740 176.600 0.068 0.000 0.899 268 E CA -0.145 56.303 56.400 0.081 0.000 0.764 268 E CB 1.571 31.335 29.700 0.106 0.000 1.227 268 E HN 0.377 nan 8.360 nan 0.000 0.421 269 L N 0.491 121.773 121.223 0.099 0.000 2.805 269 L HA 0.710 5.049 4.340 -0.001 0.000 0.242 269 L C 1.278 178.183 176.870 0.058 0.000 1.180 269 L CA -1.142 53.764 54.840 0.109 0.000 1.001 269 L CB 0.251 42.422 42.059 0.186 0.000 1.864 269 L HN 0.516 nan 8.230 nan 0.000 0.551 270 G N -1.628 107.184 108.800 0.020 0.000 2.494 270 G HA2 0.572 4.531 3.960 -0.001 0.000 0.270 270 G HA3 0.572 4.531 3.960 -0.001 0.000 0.270 270 G C -0.530 174.129 174.900 -0.402 0.000 1.423 270 G CA 0.143 45.143 45.100 -0.166 0.000 1.055 270 G HN 0.841 nan 8.290 nan 0.000 0.536 271 G N -2.186 106.189 108.800 -0.709 0.000 2.550 271 G HA2 0.482 4.442 3.960 -0.001 0.000 0.293 271 G HA3 0.482 4.442 3.960 -0.001 0.000 0.293 271 G C -1.415 173.132 174.900 -0.587 0.000 1.402 271 G CA -0.507 44.141 45.100 -0.752 0.000 0.784 271 G HN 0.583 nan 8.290 nan 0.000 0.482 272 K N 0.521 120.805 120.400 -0.193 0.000 3.350 272 K HA 0.427 4.747 4.320 -0.001 0.000 0.167 272 K C -0.040 176.624 176.600 0.108 0.000 1.058 272 K CA -0.346 55.948 56.287 0.011 0.000 0.783 272 K CB 0.166 32.766 32.500 0.167 0.000 0.872 272 K HN 0.428 nan 8.250 nan 0.000 0.561 273 S N 3.737 119.513 115.700 0.127 0.000 2.546 273 S HA 0.108 4.578 4.470 -0.001 0.000 0.290 273 S C -2.297 172.449 174.600 0.243 0.000 1.262 273 S CA -0.507 57.818 58.200 0.208 0.000 1.083 273 S CB 0.180 63.566 63.200 0.312 0.000 0.859 273 S HN 0.367 nan 8.310 nan 0.000 0.495 274 P HA 0.172 nan 4.420 nan 0.000 0.286 274 P C -1.001 176.520 177.300 0.367 0.000 1.269 274 P CA -0.581 62.725 63.100 0.343 0.000 0.787 274 P CB 0.504 32.442 31.700 0.396 0.000 0.920 275 N N 3.821 122.730 118.700 0.349 0.000 2.518 275 N HA 0.321 5.061 4.740 -0.001 0.000 0.254 275 N C -0.813 174.892 175.510 0.325 0.000 0.979 275 N CA -0.642 52.631 53.050 0.371 0.000 0.930 275 N CB 0.553 39.163 38.487 0.204 0.000 1.152 275 N HN 0.296 nan 8.380 nan 0.000 0.505 276 I N 4.599 125.373 120.570 0.340 0.000 2.304 276 I HA 0.285 4.454 4.170 -0.001 0.000 0.291 276 I C -0.136 176.178 176.117 0.330 0.000 1.018 276 I CA -0.704 60.761 61.300 0.274 0.000 1.260 276 I CB 1.150 39.201 38.000 0.085 0.000 1.390 276 I HN 0.384 nan 8.210 nan 0.000 0.475 277 I N 7.066 127.807 120.570 0.284 0.000 2.330 277 I HA 0.310 4.480 4.170 -0.001 0.000 0.286 277 I C 0.197 176.490 176.117 0.293 0.000 1.025 277 I CA -0.505 60.923 61.300 0.214 0.000 1.197 277 I CB 0.799 38.706 38.000 -0.156 0.000 1.358 277 I HN 0.477 nan 8.210 nan 0.000 0.467 278 M N 3.721 123.507 119.600 0.310 0.000 2.228 278 M HA 0.138 4.618 4.480 -0.001 0.000 0.326 278 M C 1.709 178.100 176.300 0.151 0.000 1.122 278 M CA -0.009 55.452 55.300 0.268 0.000 1.161 278 M CB 0.716 33.456 32.600 0.232 0.000 1.437 278 M HN 0.668 nan 8.290 nan 0.000 0.465 279 S N 0.431 116.178 115.700 0.079 0.000 2.440 279 S HA -0.161 4.309 4.470 -0.001 0.000 0.238 279 S C 0.841 175.490 174.600 0.082 0.000 1.010 279 S CA 1.423 59.653 58.200 0.050 0.000 0.972 279 S CB -0.521 62.682 63.200 0.005 0.000 0.774 279 S HN 0.752 nan 8.310 nan 0.000 0.501 280 D N 1.753 122.212 120.400 0.098 0.000 2.328 280 D HA 0.360 4.999 4.640 -0.001 0.000 0.221 280 D C 0.606 176.988 176.300 0.136 0.000 1.072 280 D CA 0.192 54.251 54.000 0.099 0.000 0.850 280 D CB -0.363 40.485 40.800 0.080 0.000 0.922 280 D HN 0.530 nan 8.370 nan 0.000 0.516 281 A N 0.518 123.446 122.820 0.181 0.000 2.406 281 A HA 0.171 4.490 4.320 -0.001 0.000 0.243 281 A C 0.279 178.006 177.584 0.238 0.000 1.082 281 A CA -0.340 51.849 52.037 0.252 0.000 0.786 281 A CB 0.220 19.422 19.000 0.336 0.000 1.029 281 A HN 0.154 nan 8.150 nan 0.000 0.495 282 D N 1.592 122.166 120.400 0.289 0.000 2.346 282 D HA 0.120 4.760 4.640 -0.001 0.000 0.260 282 D C 0.989 177.461 176.300 0.286 0.000 1.252 282 D CA -0.228 53.927 54.000 0.257 0.000 0.895 282 D CB 0.588 41.556 40.800 0.281 0.000 1.097 282 D HN 0.439 nan 8.370 nan 0.000 0.489 283 M N 4.124 123.848 119.600 0.206 0.000 2.065 283 M HA -0.192 4.288 4.480 -0.001 0.000 0.259 283 M C 1.004 177.384 176.300 0.133 0.000 1.069 283 M CA 1.808 57.215 55.300 0.178 0.000 1.110 283 M CB -0.349 32.326 32.600 0.125 0.000 1.328 283 M HN 0.312 nan 8.290 nan 0.000 0.405 284 D N -0.783 119.695 120.400 0.129 0.000 2.104 284 D HA -0.242 4.398 4.640 -0.001 0.000 0.194 284 D C 1.759 178.157 176.300 0.164 0.000 0.994 284 D CA 1.664 55.726 54.000 0.104 0.000 0.830 284 D CB -0.694 40.176 40.800 0.116 0.000 0.959 284 D HN 0.642 nan 8.370 nan 0.000 0.452 285 W N 1.528 122.864 121.300 0.060 0.000 2.358 285 W HA -0.198 4.462 4.660 -0.001 0.000 0.303 285 W C 2.115 178.691 176.519 0.096 0.000 1.208 285 W CA 1.577 58.982 57.345 0.101 0.000 1.274 285 W CB -0.114 29.443 29.460 0.162 0.000 1.138 285 W HN 0.005 nan 8.180 nan 0.000 0.515 286 A N 0.227 123.120 122.820 0.120 0.000 1.902 286 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 286 A C 2.047 179.511 177.584 -0.200 0.000 1.181 286 A CA 2.055 53.987 52.037 -0.175 0.000 0.623 286 A CB -1.127 17.953 19.000 0.133 0.000 0.818 286 A HN 0.146 nan 8.150 nan 0.000 0.443 287 V N -0.051 119.756 119.914 -0.178 0.000 2.295 287 V HA -0.233 3.887 4.120 -0.001 0.000 0.246 287 V C 2.635 178.572 176.094 -0.261 0.000 1.049 287 V CA 2.452 64.506 62.300 -0.411 0.000 1.024 287 V CB -0.649 30.900 31.823 -0.457 0.000 0.648 287 V HN 0.716 nan 8.190 nan 0.000 0.447 288 E N -0.098 119.967 120.200 -0.225 0.000 2.077 288 E HA -0.213 4.137 4.350 -0.001 0.000 0.193 288 E C 2.265 178.749 176.600 -0.193 0.000 0.989 288 E CA 1.348 57.637 56.400 -0.184 0.000 0.800 288 E CB -0.244 29.346 29.700 -0.183 0.000 0.746 288 E HN 0.495 nan 8.360 nan 0.000 0.452 289 Q N -0.312 119.234 119.800 -0.422 0.000 2.119 289 Q HA -0.028 4.312 4.340 -0.001 0.000 0.201 289 Q C 2.120 177.997 176.000 -0.205 0.000 0.972 289 Q CA 1.437 57.016 55.803 -0.374 0.000 0.847 289 Q CB -0.434 27.994 28.738 -0.516 0.000 0.903 289 Q HN 0.398 nan 8.270 nan 0.000 0.433 290 A N -0.065 122.607 122.820 -0.246 0.000 1.968 290 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 290 A C 1.892 179.455 177.584 -0.035 0.000 1.169 290 A CA 1.690 53.638 52.037 -0.148 0.000 0.638 290 A CB -0.640 18.401 19.000 0.068 0.000 0.812 290 A HN 0.446 nan 8.150 nan 0.000 0.446 291 H N -1.535 117.522 119.070 -0.021 0.000 2.299 291 H HA -0.129 4.426 4.556 -0.001 0.000 0.302 291 H C 1.694 177.154 175.328 0.220 0.000 1.078 291 H CA 2.183 58.328 56.048 0.161 0.000 1.323 291 H CB -0.408 29.392 29.762 0.063 0.000 1.381 291 H HN 0.444 nan 8.280 nan 0.000 0.498 292 F N 0.809 120.787 119.950 0.047 0.000 2.126 292 F HA -0.188 4.338 4.527 -0.001 0.000 0.299 292 F C 2.534 178.292 175.800 -0.070 0.000 1.096 292 F CA 1.571 59.580 58.000 0.015 0.000 1.255 292 F CB -0.727 38.243 39.000 -0.050 0.000 0.997 292 F HN 0.300 nan 8.300 nan 0.000 0.479 293 A N 0.145 122.870 122.820 -0.159 0.000 1.917 293 A HA -0.213 4.106 4.320 -0.001 0.000 0.219 293 A C 2.142 179.458 177.584 -0.447 0.000 1.182 293 A CA 2.145 53.844 52.037 -0.563 0.000 0.633 293 A CB -1.085 17.226 19.000 -1.148 0.000 0.819 293 A HN 0.577 nan 8.150 nan 0.000 0.448 294 L N -2.723 118.261 121.223 -0.398 0.000 2.200 294 L HA 0.232 4.571 4.340 -0.001 0.000 0.200 294 L C 1.996 178.553 176.870 -0.521 0.000 1.072 294 L CA 1.031 55.583 54.840 -0.478 0.000 0.787 294 L CB -0.100 41.577 42.059 -0.637 0.000 0.957 294 L HN 0.307 nan 8.230 nan 0.000 0.459 295 F N -0.947 118.795 119.950 -0.347 0.000 2.661 295 F HA 0.009 4.536 4.527 -0.001 0.000 0.298 295 F C 0.985 176.627 175.800 -0.263 0.000 1.137 295 F CA -0.096 57.708 58.000 -0.327 0.000 1.454 295 F CB -0.522 38.191 39.000 -0.478 0.000 1.103 295 F HN -0.069 nan 8.300 nan 0.000 0.577 296 F N 2.149 121.891 119.950 -0.346 0.000 2.629 296 F HA -0.053 4.474 4.527 -0.001 0.000 0.377 296 F C 1.239 176.899 175.800 -0.232 0.000 1.101 296 F CA -0.075 57.680 58.000 -0.409 0.000 1.301 296 F CB 0.131 38.647 39.000 -0.807 0.000 1.062 296 F HN 0.105 nan 8.300 nan 0.000 0.583 297 N N 3.474 121.520 118.700 -1.091 0.000 2.738 297 N HA -0.300 4.440 4.740 -0.001 0.000 0.249 297 N C -0.051 175.175 175.510 -0.473 0.000 1.047 297 N CA 1.363 53.885 53.050 -0.881 0.000 0.707 297 N CB -1.027 36.852 38.487 -1.014 0.000 0.937 297 N HN 0.768 nan 8.380 nan 0.000 0.545 298 Q N -2.107 117.518 119.800 -0.292 0.000 2.480 298 Q HA -0.172 4.168 4.340 -0.001 0.000 0.265 298 Q C 1.183 177.081 176.000 -0.170 0.000 1.072 298 Q CA 2.217 57.928 55.803 -0.153 0.000 1.018 298 Q CB -1.843 26.814 28.738 -0.135 0.000 1.433 298 Q HN 1.218 nan 8.270 nan 0.000 0.513 299 G N -1.028 107.632 108.800 -0.234 0.000 2.168 299 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.263 299 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.263 299 G C 0.095 174.709 174.900 -0.476 0.000 0.977 299 G CA 0.442 45.369 45.100 -0.289 0.000 0.659 299 G HN 0.462 nan 8.290 nan 0.000 0.533 300 Q N -0.060 119.389 119.800 -0.585 0.000 3.207 300 Q HA 0.483 4.823 4.340 -0.001 0.000 0.335 300 Q C -0.194 175.208 176.000 -0.996 0.000 1.374 300 Q CA -0.167 54.962 55.803 -1.123 0.000 1.023 300 Q CB 0.418 28.850 28.738 -0.511 0.000 1.576 300 Q HN 0.392 nan 8.270 nan 0.000 0.515 301 C N -0.196 118.663 119.300 -0.735 0.000 2.441 301 C HA 0.201 4.661 4.460 -0.001 0.000 0.318 301 C C 1.975 177.067 174.990 0.170 0.000 1.222 301 C CA -1.134 57.861 59.018 -0.039 0.000 1.474 301 C CB 0.440 28.287 27.740 0.178 0.000 2.125 301 C HN 0.929 nan 8.230 nan 0.000 0.479 302 C N 0.221 119.769 119.300 0.412 0.000 2.413 302 C HA -0.104 4.355 4.460 -0.001 0.000 0.277 302 C C 2.083 177.289 174.990 0.359 0.000 1.265 302 C CA 1.524 60.807 59.018 0.441 0.000 1.752 302 C CB -2.136 25.827 27.740 0.371 0.000 1.998 302 C HN 0.940 nan 8.230 nan 0.000 0.489 303 C N 1.549 121.124 119.300 0.457 0.000 2.525 303 C HA 0.711 5.171 4.460 -0.001 0.000 0.313 303 C C 1.380 176.673 174.990 0.505 0.000 1.311 303 C CA -0.901 58.429 59.018 0.521 0.000 1.725 303 C CB -2.606 25.607 27.740 0.789 0.000 1.926 303 C HN 0.757 nan 8.230 nan 0.000 0.595 304 A N 1.148 124.159 122.820 0.317 0.000 2.565 304 A HA 0.446 4.766 4.320 -0.001 0.000 0.237 304 A C 1.128 178.810 177.584 0.162 0.000 1.053 304 A CA 0.812 52.956 52.037 0.178 0.000 0.755 304 A CB -0.115 18.883 19.000 -0.003 0.000 0.980 304 A HN 1.107 nan 8.150 nan 0.000 0.506 305 G N 1.806 110.594 108.800 -0.020 0.000 2.916 305 G HA2 0.335 4.294 3.960 -0.001 0.000 0.280 305 G HA3 0.335 4.294 3.960 -0.001 0.000 0.280 305 G C 0.891 175.729 174.900 -0.104 0.000 0.758 305 G CA 0.366 45.423 45.100 -0.070 0.000 1.993 305 G HN 1.161 nan 8.290 nan 0.000 0.564 306 S N 1.012 116.692 115.700 -0.034 0.000 2.593 306 S HA 0.181 4.651 4.470 -0.001 0.000 0.217 306 S C 0.941 175.488 174.600 -0.089 0.000 0.966 306 S CA -0.254 57.895 58.200 -0.085 0.000 0.914 306 S CB 0.429 63.588 63.200 -0.068 0.000 0.776 306 S HN 0.432 nan 8.310 nan 0.000 0.523 307 R N 1.532 121.988 120.500 -0.073 0.000 2.545 307 R HA 0.302 4.642 4.340 -0.001 0.000 0.289 307 R C -1.312 174.869 176.300 -0.199 0.000 1.327 307 R CA -0.103 55.877 56.100 -0.199 0.000 1.040 307 R CB 1.471 31.661 30.300 -0.184 0.000 1.176 307 R HN 0.109 nan 8.270 nan 0.000 0.518 308 T N 4.107 118.544 114.554 -0.196 0.000 2.794 308 T HA 0.278 4.628 4.350 -0.001 0.000 0.304 308 T C -0.185 174.450 174.700 -0.109 0.000 0.973 308 T CA -0.089 61.958 62.100 -0.087 0.000 0.972 308 T CB -0.124 68.735 68.868 -0.015 0.000 0.952 308 T HN 0.193 nan 8.240 nan 0.000 0.509 309 F N 2.587 122.577 119.950 0.067 0.000 2.424 309 F HA 0.436 4.963 4.527 -0.001 0.000 0.356 309 F C 0.365 176.329 175.800 0.273 0.000 1.110 309 F CA -0.685 57.421 58.000 0.177 0.000 1.161 309 F CB 0.871 39.889 39.000 0.030 0.000 1.115 309 F HN 0.175 nan 8.300 nan 0.000 0.507 310 V N 4.020 124.209 119.914 0.458 0.000 2.487 310 V HA 0.227 4.347 4.120 -0.001 0.000 0.298 310 V C -0.105 175.920 176.094 -0.115 0.000 1.028 310 V CA -1.093 61.277 62.300 0.117 0.000 0.860 310 V CB 1.508 33.217 31.823 -0.189 0.000 0.991 310 V HN 0.571 nan 8.190 nan 0.000 0.427 311 Q N 3.115 122.600 119.800 -0.526 0.000 2.315 311 Q HA -0.004 4.336 4.340 -0.001 0.000 0.289 311 Q C 1.460 177.242 176.000 -0.363 0.000 1.044 311 Q CA 0.433 55.651 55.803 -0.975 0.000 0.920 311 Q CB 1.071 29.424 28.738 -0.643 0.000 1.214 311 Q HN 1.022 nan 8.270 nan 0.000 0.392 312 E N 2.782 122.779 120.200 -0.338 0.000 2.147 312 E HA -0.272 4.078 4.350 -0.001 0.000 0.199 312 E C 0.317 176.903 176.600 -0.024 0.000 1.005 312 E CA 1.772 58.095 56.400 -0.127 0.000 0.810 312 E CB 0.030 29.644 29.700 -0.142 0.000 0.736 312 E HN 0.544 nan 8.360 nan 0.000 0.460 313 D N 0.991 121.359 120.400 -0.053 0.000 2.264 313 D HA -0.088 4.552 4.640 -0.001 0.000 0.208 313 D C 1.974 178.296 176.300 0.036 0.000 0.966 313 D CA 1.361 55.358 54.000 -0.004 0.000 0.864 313 D CB -0.029 40.761 40.800 -0.016 0.000 0.933 313 D HN 0.638 nan 8.370 nan 0.000 0.499 314 I N -3.708 116.888 120.570 0.044 0.000 4.154 314 I HA 0.179 4.348 4.170 -0.001 0.000 0.334 314 I C 1.809 178.005 176.117 0.131 0.000 1.371 314 I CA -0.546 60.805 61.300 0.085 0.000 1.110 314 I CB -0.117 37.936 38.000 0.088 0.000 1.085 314 I HN -0.237 nan 8.210 nan 0.000 0.398 315 Y N 2.973 123.279 120.300 0.011 0.000 2.053 315 Y HA -0.331 4.218 4.550 -0.001 0.000 0.277 315 Y C 2.103 178.069 175.900 0.110 0.000 1.159 315 Y CA 2.421 60.547 58.100 0.042 0.000 1.125 315 Y CB -0.114 38.344 38.460 -0.003 0.000 0.969 315 Y HN 0.204 nan 8.280 nan 0.000 0.492 316 D N -0.001 120.490 120.400 0.151 0.000 2.104 316 D HA -0.222 4.417 4.640 -0.001 0.000 0.194 316 D C 2.092 178.392 176.300 0.000 0.000 0.994 316 D CA 1.802 55.841 54.000 0.065 0.000 0.830 316 D CB -0.452 40.419 40.800 0.120 0.000 0.959 316 D HN 0.622 nan 8.370 nan 0.000 0.452 317 E N -0.606 119.617 120.200 0.039 0.000 2.072 317 E HA -0.157 4.193 4.350 -0.001 0.000 0.191 317 E C 2.079 178.681 176.600 0.004 0.000 0.985 317 E CA 0.349 56.762 56.400 0.022 0.000 0.801 317 E CB -0.198 29.528 29.700 0.044 0.000 0.750 317 E HN 0.205 nan 8.360 nan 0.000 0.452 318 F N 0.808 120.697 119.950 -0.102 0.000 2.095 318 F HA -0.246 4.281 4.527 -0.001 0.000 0.298 318 F C 2.089 177.790 175.800 -0.164 0.000 1.104 318 F CA 1.430 59.359 58.000 -0.118 0.000 1.232 318 F CB -0.215 38.717 39.000 -0.113 0.000 0.987 318 F HN -0.111 nan 8.300 nan 0.000 0.475 319 V N 0.385 120.273 119.914 -0.044 0.000 2.295 319 V HA -0.323 3.796 4.120 -0.001 0.000 0.246 319 V C 2.368 178.386 176.094 -0.128 0.000 1.049 319 V CA 2.317 64.536 62.300 -0.135 0.000 1.024 319 V CB -0.755 30.884 31.823 -0.307 0.000 0.648 319 V HN 0.431 nan 8.190 nan 0.000 0.447 320 E N 0.100 120.236 120.200 -0.107 0.000 2.058 320 E HA -0.275 4.075 4.350 -0.001 0.000 0.194 320 E C 2.435 178.963 176.600 -0.121 0.000 0.997 320 E CA 1.621 57.969 56.400 -0.086 0.000 0.801 320 E CB -0.039 29.627 29.700 -0.056 0.000 0.746 320 E HN 0.536 nan 8.360 nan 0.000 0.450 321 R N -0.187 120.211 120.500 -0.170 0.000 2.090 321 R HA -0.006 4.333 4.340 -0.001 0.000 0.228 321 R C 2.633 178.780 176.300 -0.254 0.000 1.110 321 R CA 1.218 57.193 56.100 -0.210 0.000 0.973 321 R CB -0.082 30.070 30.300 -0.246 0.000 0.869 321 R HN 0.030 nan 8.270 nan 0.000 0.440 322 S N 0.283 115.796 115.700 -0.312 0.000 2.368 322 S HA -0.096 4.374 4.470 -0.001 0.000 0.225 322 S C 2.061 176.597 174.600 -0.106 0.000 1.030 322 S CA 1.156 59.215 58.200 -0.235 0.000 0.999 322 S CB -0.081 62.997 63.200 -0.204 0.000 0.844 322 S HN 0.065 nan 8.310 nan 0.000 0.459 323 V N 1.970 121.827 119.914 -0.094 0.000 2.343 323 V HA -0.187 3.933 4.120 -0.001 0.000 0.247 323 V C 2.623 178.661 176.094 -0.095 0.000 1.051 323 V CA 1.671 63.931 62.300 -0.066 0.000 1.036 323 V CB -1.174 30.616 31.823 -0.056 0.000 0.654 323 V HN 0.534 nan 8.190 nan 0.000 0.451 324 A N 0.268 123.019 122.820 -0.115 0.000 1.933 324 A HA -0.259 4.061 4.320 -0.001 0.000 0.218 324 A C 2.304 179.791 177.584 -0.162 0.000 1.175 324 A CA 2.178 54.142 52.037 -0.122 0.000 0.628 324 A CB -0.502 18.429 19.000 -0.115 0.000 0.814 324 A HN 0.457 nan 8.150 nan 0.000 0.444 325 R N 0.097 120.469 120.500 -0.214 0.000 2.090 325 R HA 0.073 4.413 4.340 -0.001 0.000 0.228 325 R C 2.109 178.183 176.300 -0.377 0.000 1.110 325 R CA 1.785 57.679 56.100 -0.344 0.000 0.973 325 R CB -0.864 29.160 30.300 -0.460 0.000 0.869 325 R HN 0.372 nan 8.270 nan 0.000 0.440 326 A N 0.658 123.341 122.820 -0.228 0.000 1.930 326 A HA -0.107 4.212 4.320 -0.001 0.000 0.217 326 A C 1.946 179.419 177.584 -0.185 0.000 1.175 326 A CA 1.504 53.414 52.037 -0.210 0.000 0.627 326 A CB -0.364 18.572 19.000 -0.107 0.000 0.815 326 A HN 0.352 nan 8.150 nan 0.000 0.443 327 K N 0.336 120.653 120.400 -0.139 0.000 2.211 327 K HA -0.099 4.220 4.320 -0.001 0.000 0.203 327 K C 2.133 178.664 176.600 -0.114 0.000 1.050 327 K CA 1.474 57.695 56.287 -0.110 0.000 0.945 327 K CB -0.128 32.320 32.500 -0.087 0.000 0.732 327 K HN 0.656 nan 8.250 nan 0.000 0.451 328 S N 0.549 116.164 115.700 -0.141 0.000 2.528 328 S HA -0.025 4.445 4.470 -0.001 0.000 0.219 328 S C 0.860 175.384 174.600 -0.127 0.000 0.985 328 S CA -0.271 57.852 58.200 -0.127 0.000 0.914 328 S CB -0.040 63.078 63.200 -0.136 0.000 0.776 328 S HN 0.136 nan 8.310 nan 0.000 0.526 329 R N 1.908 122.315 120.500 -0.154 0.000 2.446 329 R HA 0.216 4.556 4.340 -0.001 0.000 0.314 329 R C -1.018 175.236 176.300 -0.076 0.000 1.003 329 R CA -0.122 55.907 56.100 -0.119 0.000 1.018 329 R CB 0.228 30.438 30.300 -0.150 0.000 0.945 329 R HN 0.180 nan 8.270 nan 0.000 0.419 330 V N 6.462 126.348 119.914 -0.047 0.000 2.427 330 V HA 0.096 4.216 4.120 -0.001 0.000 0.268 330 V C 0.153 176.239 176.094 -0.013 0.000 1.046 330 V CA -0.308 61.972 62.300 -0.034 0.000 0.970 330 V CB 1.152 32.960 31.823 -0.026 0.000 1.001 330 V HN 0.468 nan 8.190 nan 0.000 0.476 331 V N 5.068 124.969 119.914 -0.022 0.000 2.427 331 V HA 0.984 5.104 4.120 -0.001 0.000 0.286 331 V C 0.702 176.743 176.094 -0.089 0.000 1.034 331 V CA 0.574 62.879 62.300 0.009 0.000 0.893 331 V CB 0.905 32.748 31.823 0.034 0.000 0.982 331 V HN 1.138 nan 8.190 nan 0.000 0.452 332 G N 3.435 112.201 108.800 -0.057 0.000 2.336 332 G HA2 0.101 4.061 3.960 -0.001 0.000 0.286 332 G HA3 0.101 4.061 3.960 -0.001 0.000 0.286 332 G C -0.942 173.973 174.900 0.026 0.000 1.269 332 G CA -0.861 44.108 45.100 -0.218 0.000 0.873 332 G HN 0.576 nan 8.290 nan 0.000 0.494 333 N N 2.094 120.792 118.700 -0.003 0.000 2.386 333 N HA 0.104 4.843 4.740 -0.001 0.000 0.273 333 N C -0.668 174.899 175.510 0.095 0.000 1.331 333 N CA -0.895 52.220 53.050 0.108 0.000 0.891 333 N CB 1.359 39.895 38.487 0.081 0.000 1.139 333 N HN 0.158 nan 8.380 nan 0.000 0.487 334 P HA -0.134 nan 4.420 nan 0.000 0.221 334 P C 0.894 178.110 177.300 -0.139 0.000 1.145 334 P CA 1.189 64.237 63.100 -0.088 0.000 0.795 334 P CB -0.048 31.520 31.700 -0.220 0.000 0.775 335 F N -0.214 119.769 119.950 0.056 0.000 2.780 335 F HA 0.068 4.594 4.527 -0.000 0.000 0.299 335 F C 1.329 177.140 175.800 0.018 0.000 1.146 335 F CA 0.031 58.041 58.000 0.017 0.000 1.428 335 F CB -0.125 38.838 39.000 -0.063 0.000 1.115 335 F HN -0.119 nan 8.300 nan 0.000 0.583 336 D N 0.283 120.779 120.400 0.160 0.000 2.312 336 D HA -0.011 4.629 4.640 -0.001 0.000 0.252 336 D C 1.271 177.628 176.300 0.095 0.000 1.150 336 D CA 0.258 54.319 54.000 0.101 0.000 0.870 336 D CB 1.482 42.317 40.800 0.058 0.000 1.153 336 D HN 0.146 nan 8.370 nan 0.000 0.457 337 S N 3.619 119.373 115.700 0.090 0.000 2.440 337 S HA -0.177 4.293 4.470 -0.001 0.000 0.238 337 S C 1.340 175.977 174.600 0.062 0.000 1.010 337 S CA 0.906 59.158 58.200 0.087 0.000 0.972 337 S CB -0.016 63.229 63.200 0.074 0.000 0.774 337 S HN 0.513 nan 8.310 nan 0.000 0.501 338 K N 0.795 121.221 120.400 0.044 0.000 2.361 338 K HA 0.122 4.442 4.320 -0.001 0.000 0.196 338 K C 0.046 176.662 176.600 0.026 0.000 1.039 338 K CA 0.327 56.631 56.287 0.028 0.000 1.001 338 K CB -0.022 32.484 32.500 0.011 0.000 0.795 338 K HN 0.276 nan 8.250 nan 0.000 0.495 339 T N 2.020 116.594 114.554 0.035 0.000 2.817 339 T HA 0.027 4.377 4.350 -0.001 0.000 0.295 339 T C 0.780 175.506 174.700 0.042 0.000 0.958 339 T CA 0.332 62.453 62.100 0.034 0.000 1.157 339 T CB 0.975 69.868 68.868 0.043 0.000 0.898 339 T HN 0.189 nan 8.240 nan 0.000 0.536 340 E N 1.836 122.059 120.200 0.039 0.000 2.251 340 E HA 0.050 4.399 4.350 -0.001 0.000 0.194 340 E C 0.800 177.426 176.600 0.044 0.000 0.964 340 E CA 0.199 56.631 56.400 0.053 0.000 0.868 340 E CB 0.567 30.299 29.700 0.053 0.000 0.828 340 E HN 0.556 nan 8.360 nan 0.000 0.481 341 Q N 0.290 120.117 119.800 0.044 0.000 2.304 341 Q HA 0.434 4.774 4.340 -0.001 0.000 0.270 341 Q C -0.617 175.449 176.000 0.111 0.000 1.035 341 Q CA -0.620 55.212 55.803 0.049 0.000 0.781 341 Q CB 1.794 30.568 28.738 0.060 0.000 1.261 341 Q HN 0.129 nan 8.270 nan 0.000 0.444 342 G N 3.047 111.879 108.800 0.054 0.000 2.606 342 G HA2 0.611 4.571 3.960 -0.001 0.000 0.262 342 G HA3 0.611 4.571 3.960 -0.001 0.000 0.262 342 G C -2.546 172.315 174.900 -0.065 0.000 1.394 342 G CA -1.042 44.107 45.100 0.082 0.000 1.044 342 G HN 0.558 nan 8.290 nan 0.000 0.553 343 P HA 0.220 nan 4.420 nan 0.000 0.279 343 P C -0.832 176.296 177.300 -0.285 0.000 1.276 343 P CA -0.436 62.215 63.100 -0.748 0.000 0.801 343 P CB 1.000 31.971 31.700 -1.215 0.000 1.127 344 Q N -0.118 119.601 119.800 -0.135 0.000 2.382 344 Q HA 0.066 4.405 4.340 -0.001 0.000 0.229 344 Q C 1.352 177.249 176.000 -0.171 0.000 1.006 344 Q CA -0.376 55.383 55.803 -0.073 0.000 0.916 344 Q CB 0.230 29.002 28.738 0.057 0.000 1.235 344 Q HN 0.191 nan 8.270 nan 0.000 0.512 345 V N 0.613 120.349 119.914 -0.296 0.000 2.392 345 V HA -0.224 3.895 4.120 -0.001 0.000 0.249 345 V C 0.348 176.173 176.094 -0.448 0.000 1.059 345 V CA 2.714 64.751 62.300 -0.439 0.000 1.051 345 V CB -0.090 31.211 31.823 -0.871 0.000 0.658 345 V HN 0.985 nan 8.190 nan 0.000 0.455 346 D N -3.498 116.552 120.400 -0.582 0.000 2.768 346 D HA 0.114 4.754 4.640 -0.001 0.000 0.327 346 D C 0.677 176.294 176.300 -1.138 0.000 1.302 346 D CA -0.045 53.489 54.000 -0.776 0.000 0.897 346 D CB 0.613 41.097 40.800 -0.528 0.000 1.420 346 D HN -0.016 nan 8.370 nan 0.000 0.494 347 E N -0.737 118.732 120.200 -1.219 0.000 2.106 347 E HA -0.134 4.216 4.350 -0.001 0.000 0.192 347 E C 1.153 177.600 176.600 -0.254 0.000 0.984 347 E CA 1.610 57.528 56.400 -0.803 0.000 0.806 347 E CB -0.051 29.427 29.700 -0.371 0.000 0.750 347 E HN 0.515 nan 8.360 nan 0.000 0.458 348 T N 0.663 115.081 114.554 -0.227 0.000 2.708 348 T HA -0.202 4.148 4.350 -0.001 0.000 0.266 348 T C 1.813 176.475 174.700 -0.064 0.000 1.037 348 T CA 1.512 63.549 62.100 -0.105 0.000 1.146 348 T CB -0.263 68.548 68.868 -0.095 0.000 0.865 348 T HN 0.102 nan 8.240 nan 0.000 0.435 349 Q N 0.234 119.966 119.800 -0.113 0.000 2.084 349 Q HA -0.005 4.335 4.340 -0.001 0.000 0.202 349 Q C 1.860 177.891 176.000 0.051 0.000 0.978 349 Q CA 1.308 57.102 55.803 -0.016 0.000 0.844 349 Q CB -0.737 27.942 28.738 -0.097 0.000 0.898 349 Q HN 0.552 nan 8.270 nan 0.000 0.426 350 F N 0.939 120.794 119.950 -0.159 0.000 2.091 350 F HA -0.252 4.275 4.527 -0.001 0.000 0.299 350 F C 1.713 177.506 175.800 -0.011 0.000 1.103 350 F CA 1.860 59.818 58.000 -0.070 0.000 1.228 350 F CB -0.059 38.883 39.000 -0.097 0.000 0.984 350 F HN 0.018 nan 8.300 nan 0.000 0.477 351 K N -0.004 120.431 120.400 0.058 0.000 2.097 351 K HA -0.187 4.133 4.320 -0.001 0.000 0.205 351 K C 2.199 178.752 176.600 -0.078 0.000 1.050 351 K CA 1.335 57.597 56.287 -0.041 0.000 0.938 351 K CB -0.260 32.262 32.500 0.036 0.000 0.718 351 K HN 0.252 nan 8.250 nan 0.000 0.442 352 K N 1.383 121.760 120.400 -0.037 0.000 2.057 352 K HA -0.122 4.198 4.320 -0.001 0.000 0.207 352 K C 2.018 178.617 176.600 -0.003 0.000 1.049 352 K CA 1.163 57.419 56.287 -0.051 0.000 0.931 352 K CB -0.043 32.475 32.500 0.031 0.000 0.714 352 K HN 0.038 nan 8.250 nan 0.000 0.440 353 I N 1.104 121.717 120.570 0.071 0.000 2.179 353 I HA -0.306 3.864 4.170 -0.001 0.000 0.242 353 I C 2.172 178.318 176.117 0.049 0.000 1.088 353 I CA 1.109 62.489 61.300 0.134 0.000 1.357 353 I CB -0.261 37.784 38.000 0.075 0.000 1.051 353 I HN 0.159 nan 8.210 nan 0.000 0.409 354 L N 0.541 121.699 121.223 -0.108 0.000 2.079 354 L HA -0.172 4.168 4.340 -0.001 0.000 0.210 354 L C 2.660 179.505 176.870 -0.043 0.000 1.081 354 L CA 1.577 56.346 54.840 -0.119 0.000 0.752 354 L CB -1.156 40.756 42.059 -0.244 0.000 0.896 354 L HN 0.356 nan 8.230 nan 0.000 0.433 355 G N -1.253 107.502 108.800 -0.076 0.000 2.402 355 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.216 355 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.216 355 G C 1.396 176.254 174.900 -0.070 0.000 1.162 355 G CA 0.457 45.493 45.100 -0.107 0.000 0.777 355 G HN 0.310 nan 8.290 nan 0.000 0.539 356 Y N 0.419 120.725 120.300 0.011 0.000 2.242 356 Y HA -0.002 4.547 4.550 -0.001 0.000 0.291 356 Y C 2.761 178.687 175.900 0.042 0.000 1.137 356 Y CA 0.488 58.599 58.100 0.018 0.000 1.181 356 Y CB -0.028 38.450 38.460 0.031 0.000 0.989 356 Y HN 0.114 nan 8.280 nan 0.000 0.527 357 I N -0.017 120.701 120.570 0.248 0.000 2.226 357 I HA -0.343 3.827 4.170 -0.001 0.000 0.245 357 I C 2.161 178.426 176.117 0.246 0.000 1.100 357 I CA 1.674 63.159 61.300 0.307 0.000 1.374 357 I CB -0.390 37.739 38.000 0.215 0.000 1.057 357 I HN 0.274 nan 8.210 nan 0.000 0.413 358 N N 0.395 119.172 118.700 0.128 0.000 2.120 358 N HA -0.167 4.573 4.740 -0.001 0.000 0.188 358 N C 1.689 177.237 175.510 0.064 0.000 1.024 358 N CA 1.936 55.038 53.050 0.086 0.000 0.852 358 N CB -0.028 38.479 38.487 0.034 0.000 1.003 358 N HN 0.175 nan 8.380 nan 0.000 0.424 359 T N -1.272 113.310 114.554 0.047 0.000 2.746 359 T HA -0.041 4.308 4.350 -0.001 0.000 0.267 359 T C 1.790 176.461 174.700 -0.048 0.000 1.039 359 T CA 1.265 63.374 62.100 0.016 0.000 1.142 359 T CB -0.932 67.966 68.868 0.051 0.000 0.866 359 T HN 0.453 nan 8.240 nan 0.000 0.444 360 G N 1.776 110.496 108.800 -0.133 0.000 2.440 360 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.218 360 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.218 360 G C 1.618 176.369 174.900 -0.248 0.000 1.154 360 G CA 0.657 45.446 45.100 -0.518 0.000 0.767 360 G HN 0.428 nan 8.290 nan 0.000 0.552 361 K N -0.192 120.253 120.400 0.075 0.000 2.026 361 K HA -0.061 4.258 4.320 -0.001 0.000 0.208 361 K C 2.726 179.366 176.600 0.068 0.000 1.048 361 K CA 1.081 57.469 56.287 0.167 0.000 0.929 361 K CB -0.170 32.441 32.500 0.186 0.000 0.713 361 K HN 0.187 nan 8.250 nan 0.000 0.439 362 Q N 0.971 120.792 119.800 0.035 0.000 2.096 362 Q HA -0.174 4.166 4.340 -0.001 0.000 0.204 362 Q C 1.548 177.551 176.000 0.005 0.000 0.982 362 Q CA 1.490 57.305 55.803 0.020 0.000 0.850 362 Q CB -0.061 28.684 28.738 0.012 0.000 0.901 362 Q HN 0.449 nan 8.270 nan 0.000 0.422 363 E N -0.897 119.290 120.200 -0.021 0.000 2.511 363 E HA 0.064 4.413 4.350 -0.001 0.000 0.196 363 E C 0.653 177.240 176.600 -0.021 0.000 1.066 363 E CA 0.343 56.726 56.400 -0.028 0.000 0.871 363 E CB 0.182 29.851 29.700 -0.050 0.000 0.863 363 E HN 0.521 nan 8.360 nan 0.000 0.520 364 G N 0.903 109.701 108.800 -0.003 0.000 2.141 364 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.231 364 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.231 364 G C 0.273 175.193 174.900 0.032 0.000 0.984 364 G CA -0.058 45.055 45.100 0.021 0.000 0.660 364 G HN 0.433 nan 8.290 nan 0.000 0.525 365 A N -0.037 122.781 122.820 -0.003 0.000 2.371 365 A HA 0.644 4.963 4.320 -0.001 0.000 0.257 365 A C 0.628 178.365 177.584 0.255 0.000 1.089 365 A CA 0.443 52.504 52.037 0.041 0.000 0.794 365 A CB 0.475 19.334 19.000 -0.235 0.000 1.029 365 A HN 0.564 nan 8.150 nan 0.000 0.488 366 K N 2.205 122.773 120.400 0.280 0.000 2.310 366 K HA 0.286 4.605 4.320 -0.001 0.000 0.290 366 K C -0.739 176.023 176.600 0.270 0.000 1.077 366 K CA -0.468 55.966 56.287 0.245 0.000 0.922 366 K CB 0.145 32.745 32.500 0.167 0.000 1.057 366 K HN 0.572 nan 8.250 nan 0.000 0.479 367 L N 6.387 127.715 121.223 0.174 0.000 2.433 367 L HA 0.080 4.419 4.340 -0.001 0.000 0.275 367 L C 0.194 177.011 176.870 -0.088 0.000 1.128 367 L CA 0.598 55.356 54.840 -0.136 0.000 0.875 367 L CB 0.433 42.413 42.059 -0.131 0.000 1.171 367 L HN 0.809 nan 8.230 nan 0.000 0.463 368 L N 4.791 125.940 121.223 -0.124 0.000 2.515 368 L HA 0.226 4.565 4.340 -0.001 0.000 0.223 368 L C 0.379 177.203 176.870 -0.076 0.000 1.079 368 L CA 0.204 55.008 54.840 -0.060 0.000 0.857 368 L CB 0.045 42.091 42.059 -0.022 0.000 1.050 368 L HN 0.833 nan 8.230 nan 0.000 0.476 369 C N -3.172 116.056 119.300 -0.120 0.000 3.292 369 C HA 0.735 5.195 4.460 -0.001 0.000 0.338 369 C C 0.710 175.633 174.990 -0.112 0.000 1.323 369 C CA -0.606 58.357 59.018 -0.092 0.000 1.232 369 C CB 0.826 28.528 27.740 -0.063 0.000 1.517 369 C HN 0.617 nan 8.230 nan 0.000 0.470 370 G N 0.936 109.692 108.800 -0.075 0.000 2.566 370 G HA2 0.344 4.304 3.960 -0.001 0.000 0.280 370 G HA3 0.344 4.304 3.960 -0.001 0.000 0.280 370 G C 1.318 176.171 174.900 -0.080 0.000 1.225 370 G CA 2.377 47.442 45.100 -0.058 0.000 0.966 370 G HN 3.332 nan 8.290 nan 0.000 0.560 371 G N -2.251 106.506 108.800 -0.072 0.000 2.184 371 G HA2 0.444 4.404 3.960 -0.001 0.000 0.206 371 G HA3 0.444 4.404 3.960 -0.001 0.000 0.206 371 G C 1.412 176.303 174.900 -0.014 0.000 0.995 371 G CA 0.957 46.018 45.100 -0.065 0.000 0.651 371 G HN 2.573 nan 8.290 nan 0.000 0.511 372 G N -0.985 107.813 108.800 -0.004 0.000 2.975 372 G HA2 0.671 4.631 3.960 -0.001 0.000 0.291 372 G HA3 0.671 4.631 3.960 -0.001 0.000 0.291 372 G C -0.354 174.566 174.900 0.033 0.000 1.334 372 G CA -0.740 44.364 45.100 0.007 0.000 0.843 372 G HN 0.584 nan 8.290 nan 0.000 0.548 373 I N 1.171 121.781 120.570 0.065 0.000 2.634 373 I HA 0.269 4.439 4.170 -0.001 0.000 0.284 373 I C 1.433 177.638 176.117 0.146 0.000 1.124 373 I CA -0.042 61.357 61.300 0.165 0.000 1.417 373 I CB 1.744 39.890 38.000 0.243 0.000 1.396 373 I HN 0.553 nan 8.210 nan 0.000 0.571 374 A N 4.874 127.812 122.820 0.197 0.000 2.267 374 A HA 0.657 4.976 4.320 -0.001 0.000 0.213 374 A C 0.696 178.299 177.584 0.030 0.000 1.192 374 A CA 0.594 52.696 52.037 0.108 0.000 0.851 374 A CB 0.092 19.170 19.000 0.130 0.000 0.881 374 A HN 0.817 nan 8.150 nan 0.000 0.494 375 A N -1.188 121.683 122.820 0.086 0.000 2.601 375 A HA 0.542 4.862 4.320 -0.001 0.000 0.291 375 A C -0.711 176.905 177.584 0.054 0.000 1.075 375 A CA -0.211 51.821 52.037 -0.009 0.000 0.671 375 A CB 0.188 19.076 19.000 -0.187 0.000 1.277 375 A HN -0.070 nan 8.150 nan 0.000 0.417 376 D N -0.146 120.256 120.400 0.003 0.000 2.289 376 D HA 0.086 4.725 4.640 -0.001 0.000 0.207 376 D C 0.645 176.935 176.300 -0.018 0.000 0.966 376 D CA 1.095 55.099 54.000 0.007 0.000 0.868 376 D CB 0.280 41.072 40.800 -0.012 0.000 0.943 376 D HN 0.441 nan 8.370 nan 0.000 0.514 377 R N -0.641 119.846 120.500 -0.022 0.000 2.740 377 R HA 0.515 4.855 4.340 -0.001 0.000 0.282 377 R C 0.268 176.559 176.300 -0.015 0.000 0.969 377 R CA -0.023 56.040 56.100 -0.061 0.000 0.918 377 R CB 1.896 32.167 30.300 -0.049 0.000 1.175 377 R HN 0.092 nan 8.270 nan 0.000 0.464 378 G N 1.157 109.787 108.800 -0.283 0.000 2.725 378 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.220 378 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.220 378 G C -1.031 173.343 174.900 -0.876 0.000 1.357 378 G CA -0.319 44.461 45.100 -0.534 0.000 0.866 378 G HN 0.623 nan 8.290 nan 0.000 0.548 379 Y N -0.136 119.802 120.300 -0.604 0.000 2.635 379 Y HA 0.554 5.103 4.550 -0.001 0.000 0.373 379 Y C 0.445 176.161 175.900 -0.308 0.000 1.000 379 Y CA -0.700 56.932 58.100 -0.779 0.000 1.219 379 Y CB 0.235 38.326 38.460 -0.614 0.000 1.294 379 Y HN 0.354 nan 8.280 nan 0.000 0.612 380 F N 1.654 121.679 119.950 0.125 0.000 2.404 380 F HA 0.540 5.067 4.527 -0.001 0.000 0.345 380 F C 0.144 176.154 175.800 0.350 0.000 1.110 380 F CA -0.742 57.380 58.000 0.204 0.000 1.130 380 F CB 0.854 39.898 39.000 0.074 0.000 1.129 380 F HN 0.027 nan 8.300 nan 0.000 0.500 381 I N 2.362 123.175 120.570 0.405 0.000 2.608 381 I HA 0.242 4.412 4.170 -0.001 0.000 0.295 381 I C -0.636 175.586 176.117 0.176 0.000 1.049 381 I CA -0.995 60.450 61.300 0.242 0.000 1.063 381 I CB 2.103 40.183 38.000 0.134 0.000 1.248 381 I HN 0.522 nan 8.210 nan 0.000 0.424 382 Q N 5.561 125.430 119.800 0.115 0.000 2.364 382 Q HA 0.195 4.535 4.340 -0.001 0.000 0.267 382 Q C -2.331 173.719 176.000 0.084 0.000 0.999 382 Q CA -1.542 54.305 55.803 0.073 0.000 0.886 382 Q CB 0.117 28.874 28.738 0.032 0.000 1.243 382 Q HN 0.242 nan 8.270 nan 0.000 0.415 383 P HA -0.025 nan 4.420 nan 0.000 0.266 383 P C -1.131 176.249 177.300 0.133 0.000 1.215 383 P CA 0.512 63.679 63.100 0.112 0.000 0.763 383 P CB 0.605 32.184 31.700 -0.201 0.000 0.806 384 T N 3.057 117.753 114.554 0.237 0.000 2.829 384 T HA 0.478 4.827 4.350 -0.001 0.000 0.280 384 T C -0.399 174.342 174.700 0.069 0.000 0.999 384 T CA -0.436 61.695 62.100 0.052 0.000 0.983 384 T CB 1.039 69.889 68.868 -0.030 0.000 0.968 384 T HN -0.065 nan 8.240 nan 0.000 0.446 385 V N 3.703 123.576 119.914 -0.068 0.000 2.531 385 V HA 0.532 4.652 4.120 -0.001 0.000 0.301 385 V C -1.035 174.970 176.094 -0.148 0.000 1.034 385 V CA -0.901 61.391 62.300 -0.013 0.000 0.865 385 V CB 1.298 33.160 31.823 0.064 0.000 0.995 385 V HN 0.834 nan 8.190 nan 0.000 0.424 386 F N 2.320 122.298 119.950 0.047 0.000 2.436 386 F HA 0.774 5.301 4.527 -0.001 0.000 0.340 386 F C 0.920 176.756 175.800 0.059 0.000 1.113 386 F CA -0.246 57.781 58.000 0.045 0.000 1.022 386 F CB 2.107 41.123 39.000 0.027 0.000 1.128 386 F HN 0.610 nan 8.300 nan 0.000 0.466 387 G N 0.669 109.639 108.800 0.282 0.000 2.509 387 G HA2 0.341 4.301 3.960 -0.001 0.000 0.328 387 G HA3 0.341 4.301 3.960 -0.001 0.000 0.328 387 G C -0.585 174.464 174.900 0.249 0.000 1.194 387 G CA -0.676 44.576 45.100 0.253 0.000 0.967 387 G HN 0.716 nan 8.290 nan 0.000 0.488 388 D N -1.128 119.443 120.400 0.284 0.000 2.708 388 D HA -0.163 4.476 4.640 -0.001 0.000 0.236 388 D C 0.560 176.911 176.300 0.085 0.000 1.146 388 D CA 0.633 54.720 54.000 0.145 0.000 0.662 388 D CB -1.159 39.706 40.800 0.108 0.000 1.059 388 D HN 0.178 nan 8.370 nan 0.000 0.428 389 V N 0.849 120.811 119.914 0.080 0.000 2.637 389 V HA 0.028 4.147 4.120 -0.001 0.000 0.296 389 V C 0.871 176.964 176.094 -0.002 0.000 1.046 389 V CA 0.162 62.469 62.300 0.012 0.000 1.066 389 V CB 1.682 33.494 31.823 -0.018 0.000 0.968 389 V HN 0.064 nan 8.190 nan 0.000 0.483 390 Q N 2.086 121.881 119.800 -0.010 0.000 2.257 390 Q HA 0.329 4.669 4.340 -0.001 0.000 0.262 390 Q C 0.487 176.494 176.000 0.011 0.000 0.997 390 Q CA -0.744 55.066 55.803 0.011 0.000 0.873 390 Q CB 1.529 30.274 28.738 0.012 0.000 1.312 390 Q HN 0.662 nan 8.270 nan 0.000 0.450 391 D N 1.215 121.644 120.400 0.048 0.000 2.149 391 D HA -0.126 4.514 4.640 -0.001 0.000 0.198 391 D C 1.451 177.773 176.300 0.036 0.000 0.990 391 D CA 1.636 55.673 54.000 0.063 0.000 0.839 391 D CB -0.045 40.816 40.800 0.103 0.000 0.948 391 D HN 0.823 nan 8.370 nan 0.000 0.460 392 G N -0.212 108.603 108.800 0.025 0.000 2.744 392 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.211 392 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.211 392 G C 0.745 175.647 174.900 0.003 0.000 1.143 392 G CA -0.170 44.940 45.100 0.016 0.000 0.788 392 G HN 0.167 nan 8.290 nan 0.000 0.534 393 M N 0.603 120.195 119.600 -0.012 0.000 2.243 393 M HA 0.150 4.629 4.480 -0.001 0.000 0.341 393 M C 1.807 178.091 176.300 -0.028 0.000 1.130 393 M CA -0.131 55.148 55.300 -0.034 0.000 1.162 393 M CB 0.984 33.540 32.600 -0.073 0.000 1.497 393 M HN -0.079 nan 8.290 nan 0.000 0.456 394 T N 2.401 116.946 114.554 -0.015 0.000 2.720 394 T HA -0.142 4.208 4.350 -0.001 0.000 0.268 394 T C 1.546 176.235 174.700 -0.018 0.000 1.037 394 T CA 1.808 63.923 62.100 0.024 0.000 1.144 394 T CB -0.481 68.435 68.868 0.081 0.000 0.864 394 T HN 0.775 nan 8.240 nan 0.000 0.444 395 I N -0.357 120.163 120.570 -0.084 0.000 3.001 395 I HA 0.174 4.343 4.170 -0.001 0.000 0.268 395 I C 2.291 178.327 176.117 -0.135 0.000 1.267 395 I CA 0.922 62.127 61.300 -0.159 0.000 1.472 395 I CB -0.400 37.457 38.000 -0.239 0.000 1.089 395 I HN 0.091 nan 8.210 nan 0.000 0.468 396 A N 1.097 123.863 122.820 -0.091 0.000 2.238 396 A HA 0.167 4.487 4.320 -0.001 0.000 0.210 396 A C 2.144 179.722 177.584 -0.010 0.000 1.179 396 A CA 0.275 52.274 52.037 -0.064 0.000 0.827 396 A CB -0.090 18.878 19.000 -0.054 0.000 0.856 396 A HN 0.463 nan 8.150 nan 0.000 0.488 397 K N -0.391 120.010 120.400 0.001 0.000 2.403 397 K HA 0.162 4.482 4.320 -0.001 0.000 0.199 397 K C -0.171 176.485 176.600 0.094 0.000 1.199 397 K CA 0.207 56.526 56.287 0.054 0.000 0.924 397 K CB 0.615 33.142 32.500 0.045 0.000 1.137 397 K HN 0.406 nan 8.250 nan 0.000 0.510 398 E N 1.987 122.202 120.200 0.025 0.000 2.204 398 E HA 0.091 4.440 4.350 -0.001 0.000 0.276 398 E C -0.979 175.550 176.600 -0.118 0.000 0.974 398 E CA -0.375 56.044 56.400 0.033 0.000 0.815 398 E CB 1.738 31.485 29.700 0.079 0.000 1.119 398 E HN 0.072 nan 8.360 nan 0.000 0.393 399 E N 3.319 123.510 120.200 -0.016 0.000 2.328 399 E HA -0.021 4.328 4.350 -0.001 0.000 0.265 399 E C 0.296 176.810 176.600 -0.144 0.000 1.057 399 E CA 0.018 56.372 56.400 -0.076 0.000 0.916 399 E CB 0.391 30.041 29.700 -0.083 0.000 0.993 399 E HN 0.543 nan 8.360 nan 0.000 0.446 400 I N 4.407 124.860 120.570 -0.195 0.000 2.585 400 I HA -0.070 4.099 4.170 -0.001 0.000 0.254 400 I C 0.454 176.690 176.117 0.198 0.000 1.129 400 I CA 0.009 61.188 61.300 -0.202 0.000 1.455 400 I CB 0.062 37.912 38.000 -0.250 0.000 1.111 400 I HN 0.673 nan 8.210 nan 0.000 0.433 401 F N 1.783 121.711 119.950 -0.037 0.000 3.091 401 F HA -0.182 4.344 4.527 -0.001 0.000 0.288 401 F C 0.485 176.316 175.800 0.052 0.000 0.907 401 F CA 0.655 58.672 58.000 0.028 0.000 1.028 401 F CB -1.384 37.679 39.000 0.105 0.000 1.022 401 F HN 0.168 nan 8.300 nan 0.000 0.665 402 G N -0.632 108.182 108.800 0.024 0.000 2.788 402 G HA2 0.650 4.610 3.960 -0.001 0.000 0.293 402 G HA3 0.650 4.610 3.960 -0.001 0.000 0.293 402 G C -2.978 171.879 174.900 -0.071 0.000 1.392 402 G CA -0.690 44.413 45.100 0.005 0.000 0.810 402 G HN -0.137 nan 8.290 nan 0.000 0.508 403 P HA 0.281 nan 4.420 nan 0.000 0.220 403 P C -0.664 176.636 177.300 -0.000 0.000 1.806 403 P CA -0.066 63.050 63.100 0.027 0.000 0.976 403 P CB 0.208 32.067 31.700 0.265 0.000 1.952 404 V N 2.973 122.796 119.914 -0.151 0.000 2.409 404 V HA 0.369 4.488 4.120 -0.001 0.000 0.290 404 V C 0.231 176.226 176.094 -0.165 0.000 1.017 404 V CA -0.674 61.596 62.300 -0.050 0.000 0.841 404 V CB 2.022 33.896 31.823 0.085 0.000 1.003 404 V HN 0.297 nan 8.190 nan 0.000 0.426 405 M N 4.082 123.590 119.600 -0.153 0.000 2.264 405 M HA 0.625 5.104 4.480 -0.001 0.000 0.352 405 M C -0.904 175.419 176.300 0.039 0.000 1.173 405 M CA -0.327 54.879 55.300 -0.157 0.000 1.075 405 M CB 1.565 34.067 32.600 -0.164 0.000 1.621 405 M HN 0.629 nan 8.290 nan 0.000 0.457 406 Q N 5.050 124.847 119.800 -0.005 0.000 2.333 406 Q HA 0.587 4.927 4.340 -0.001 0.000 0.265 406 Q C -1.301 174.698 176.000 -0.001 0.000 0.989 406 Q CA 0.004 55.823 55.803 0.026 0.000 0.842 406 Q CB 1.871 30.575 28.738 -0.057 0.000 1.262 406 Q HN 0.711 nan 8.270 nan 0.000 0.451 407 I N 4.177 124.791 120.570 0.073 0.000 2.355 407 I HA 0.396 4.565 4.170 -0.001 0.000 0.288 407 I C -1.004 175.204 176.117 0.151 0.000 0.999 407 I CA -0.931 60.429 61.300 0.100 0.000 1.163 407 I CB 0.853 38.943 38.000 0.150 0.000 1.316 407 I HN 0.328 nan 8.210 nan 0.000 0.454 408 L N 6.495 127.751 121.223 0.055 0.000 2.342 408 L HA 0.533 4.872 4.340 -0.001 0.000 0.271 408 L C -0.106 176.915 176.870 0.252 0.000 1.008 408 L CA -0.506 54.370 54.840 0.061 0.000 0.818 408 L CB 1.431 43.350 42.059 -0.233 0.000 1.296 408 L HN 0.457 nan 8.230 nan 0.000 0.427 409 K N 2.238 122.715 120.400 0.128 0.000 2.138 409 K HA 0.703 5.023 4.320 -0.001 0.000 0.263 409 K C -1.342 175.392 176.600 0.223 0.000 0.965 409 K CA -0.444 55.858 56.287 0.025 0.000 0.868 409 K CB 1.143 33.339 32.500 -0.508 0.000 1.083 409 K HN 0.553 nan 8.250 nan 0.000 0.443 410 F N 1.059 121.059 119.950 0.084 0.000 2.664 410 F HA 0.467 4.994 4.527 -0.001 0.000 0.317 410 F C 0.208 176.027 175.800 0.031 0.000 1.108 410 F CA -0.932 57.111 58.000 0.072 0.000 0.957 410 F CB 1.551 40.607 39.000 0.094 0.000 1.365 410 F HN 0.525 nan 8.300 nan 0.000 0.475 411 K N -0.191 120.293 120.400 0.141 0.000 2.312 411 K HA 0.220 4.540 4.320 -0.001 0.000 0.206 411 K C 0.187 176.858 176.600 0.117 0.000 1.121 411 K CA 0.968 57.250 56.287 -0.009 0.000 0.923 411 K CB 0.376 32.886 32.500 0.017 0.000 1.162 411 K HN 0.908 nan 8.250 nan 0.000 0.478 412 T N -2.091 112.622 114.554 0.266 0.000 2.950 412 T HA 0.283 4.633 4.350 -0.001 0.000 0.288 412 T C 1.119 175.965 174.700 0.244 0.000 1.035 412 T CA -0.867 61.356 62.100 0.205 0.000 1.028 412 T CB 1.470 70.392 68.868 0.089 0.000 1.109 412 T HN 0.174 nan 8.240 nan 0.000 0.514 413 I N 0.373 121.015 120.570 0.120 0.000 2.394 413 I HA -0.068 4.102 4.170 -0.001 0.000 0.251 413 I C 2.052 178.182 176.117 0.021 0.000 1.136 413 I CA 1.383 62.700 61.300 0.029 0.000 1.425 413 I CB -0.009 37.932 38.000 -0.098 0.000 1.079 413 I HN 0.755 nan 8.210 nan 0.000 0.425 414 E N 0.579 120.799 120.200 0.034 0.000 2.106 414 E HA -0.258 4.092 4.350 -0.001 0.000 0.192 414 E C 1.940 178.553 176.600 0.022 0.000 0.984 414 E CA 1.158 57.605 56.400 0.078 0.000 0.806 414 E CB -0.213 29.527 29.700 0.066 0.000 0.750 414 E HN 0.509 nan 8.360 nan 0.000 0.458 415 E N 0.514 120.722 120.200 0.012 0.000 2.031 415 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 415 E C 2.074 178.590 176.600 -0.141 0.000 0.994 415 E CA 1.158 57.550 56.400 -0.014 0.000 0.800 415 E CB -0.044 29.694 29.700 0.063 0.000 0.752 415 E HN 0.160 nan 8.360 nan 0.000 0.447 416 V N 0.481 120.221 119.914 -0.291 0.000 2.490 416 V HA -0.185 3.935 4.120 -0.001 0.000 0.250 416 V C 2.319 178.105 176.094 -0.514 0.000 1.061 416 V CA 1.253 63.148 62.300 -0.675 0.000 1.064 416 V CB 0.051 31.064 31.823 -1.350 0.000 0.670 416 V HN 0.213 nan 8.190 nan 0.000 0.461 417 V N 0.614 120.372 119.914 -0.260 0.000 2.295 417 V HA -0.181 3.939 4.120 -0.001 0.000 0.246 417 V C 2.658 178.660 176.094 -0.153 0.000 1.049 417 V CA 2.280 64.484 62.300 -0.160 0.000 1.024 417 V CB -1.390 30.414 31.823 -0.033 0.000 0.648 417 V HN 0.626 nan 8.190 nan 0.000 0.447 418 G N -0.431 108.298 108.800 -0.119 0.000 2.418 418 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.217 418 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.217 418 G C 1.744 176.590 174.900 -0.091 0.000 1.158 418 G CA 0.681 45.732 45.100 -0.081 0.000 0.771 418 G HN 0.449 nan 8.290 nan 0.000 0.545 419 R N 0.470 120.878 120.500 -0.153 0.000 2.075 419 R HA 0.106 4.446 4.340 -0.001 0.000 0.232 419 R C 3.015 179.253 176.300 -0.103 0.000 1.126 419 R CA 1.041 57.074 56.100 -0.111 0.000 0.963 419 R CB -0.361 29.849 30.300 -0.149 0.000 0.858 419 R HN 0.334 nan 8.270 nan 0.000 0.435 420 A N 1.581 124.213 122.820 -0.313 0.000 1.933 420 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 420 A C 1.630 179.208 177.584 -0.011 0.000 1.175 420 A CA 1.454 53.402 52.037 -0.149 0.000 0.628 420 A CB -0.318 18.527 19.000 -0.259 0.000 0.814 420 A HN 0.222 nan 8.150 nan 0.000 0.444 421 N N 0.137 118.809 118.700 -0.046 0.000 2.463 421 N HA -0.052 4.688 4.740 -0.001 0.000 0.181 421 N C 0.327 175.846 175.510 0.015 0.000 1.078 421 N CA 0.339 53.383 53.050 -0.010 0.000 0.902 421 N CB -0.424 38.045 38.487 -0.030 0.000 0.970 421 N HN 0.402 nan 8.380 nan 0.000 0.451 422 N N 0.989 119.701 118.700 0.020 0.000 2.895 422 N HA 0.041 4.781 4.740 -0.001 0.000 0.277 422 N C -1.324 174.218 175.510 0.053 0.000 1.185 422 N CA 0.115 53.182 53.050 0.029 0.000 1.106 422 N CB -0.245 38.259 38.487 0.029 0.000 1.422 422 N HN -0.096 nan 8.380 nan 0.000 0.521 423 S N 0.112 115.840 115.700 0.048 0.000 2.537 423 S HA 0.290 4.760 4.470 -0.001 0.000 0.271 423 S C 0.634 175.241 174.600 0.013 0.000 1.148 423 S CA -0.590 57.645 58.200 0.057 0.000 0.868 423 S CB 0.710 63.989 63.200 0.132 0.000 1.115 423 S HN 0.271 nan 8.310 nan 0.000 0.461 424 T N 2.571 117.079 114.554 -0.077 0.000 3.085 424 T HA 0.183 4.533 4.350 -0.001 0.000 0.263 424 T C -0.083 174.520 174.700 -0.162 0.000 1.127 424 T CA 1.021 63.020 62.100 -0.168 0.000 1.103 424 T CB -0.337 68.358 68.868 -0.287 0.000 0.921 424 T HN 0.540 nan 8.240 nan 0.000 0.510 425 Y N -0.230 120.094 120.300 0.040 0.000 2.432 425 Y HA 0.571 5.121 4.550 -0.001 0.000 0.322 425 Y C 1.201 177.128 175.900 0.045 0.000 1.246 425 Y CA -1.008 57.119 58.100 0.045 0.000 1.268 425 Y CB 1.567 40.059 38.460 0.053 0.000 1.276 425 Y HN -0.030 nan 8.280 nan 0.000 0.499 426 G N 1.061 109.998 108.800 0.228 0.000 5.374 426 G HA2 0.107 4.066 3.960 -0.001 0.000 0.198 426 G HA3 0.107 4.066 3.960 -0.001 0.000 0.198 426 G C -0.222 174.667 174.900 -0.018 0.000 0.812 426 G CA -0.242 44.916 45.100 0.097 0.000 0.614 426 G HN 0.539 nan 8.290 nan 0.000 0.357 427 L N 0.617 121.837 121.223 -0.006 0.000 2.049 427 L HA 0.749 5.089 4.340 -0.001 0.000 0.203 427 L C 1.177 177.936 176.870 -0.185 0.000 1.074 427 L CA 2.292 57.073 54.840 -0.099 0.000 0.749 427 L CB -0.046 42.012 42.059 -0.002 0.000 0.907 427 L HN 0.454 nan 8.230 nan 0.000 0.439 428 A N -2.154 120.620 122.820 -0.077 0.000 2.583 428 A HA 0.904 5.223 4.320 -0.001 0.000 0.289 428 A C -1.472 176.086 177.584 -0.043 0.000 1.151 428 A CA -0.097 51.842 52.037 -0.163 0.000 0.695 428 A CB 0.938 19.903 19.000 -0.058 0.000 1.290 428 A HN 0.545 nan 8.150 nan 0.000 0.419 429 A N -1.324 121.447 122.820 -0.082 0.000 2.597 429 A HA 0.957 5.276 4.320 -0.001 0.000 0.292 429 A C -0.718 176.965 177.584 0.165 0.000 1.057 429 A CA 0.144 52.243 52.037 0.104 0.000 0.674 429 A CB 0.511 19.520 19.000 0.015 0.000 1.278 429 A HN 2.660 nan 8.150 nan 0.000 0.416 430 A N -0.143 122.891 122.820 0.356 0.000 2.539 430 A HA 0.831 5.150 4.320 -0.001 0.000 0.296 430 A C -1.400 176.403 177.584 0.366 0.000 1.073 430 A CA -0.514 51.777 52.037 0.423 0.000 0.700 430 A CB 1.634 21.113 19.000 0.797 0.000 1.296 430 A HN 1.817 nan 8.150 nan 0.000 0.405 431 V N 0.865 120.933 119.914 0.256 0.000 2.577 431 V HA 0.564 4.684 4.120 -0.001 0.000 0.303 431 V C -1.553 174.617 176.094 0.127 0.000 1.042 431 V CA -0.282 62.156 62.300 0.230 0.000 0.872 431 V CB 1.434 33.327 31.823 0.117 0.000 0.998 431 V HN 0.706 nan 8.190 nan 0.000 0.423 432 F N 2.628 122.696 119.950 0.196 0.000 2.427 432 F HA 0.786 5.312 4.527 -0.001 0.000 0.348 432 F C 0.339 176.248 175.800 0.182 0.000 1.125 432 F CA -0.190 57.938 58.000 0.213 0.000 0.989 432 F CB 2.057 41.195 39.000 0.231 0.000 1.165 432 F HN 0.554 nan 8.300 nan 0.000 0.442 433 T N 2.037 116.723 114.554 0.221 0.000 2.827 433 T HA 0.270 4.620 4.350 -0.001 0.000 0.328 433 T C 0.030 174.801 174.700 0.118 0.000 1.598 433 T CA -0.684 61.520 62.100 0.173 0.000 1.043 433 T CB 1.436 70.387 68.868 0.138 0.000 1.447 433 T HN 0.642 nan 8.240 nan 0.000 0.491 434 K N 0.649 121.109 120.400 0.101 0.000 2.354 434 K HA 0.186 4.506 4.320 -0.001 0.000 0.194 434 K C -0.173 176.456 176.600 0.048 0.000 1.038 434 K CA -0.064 56.264 56.287 0.068 0.000 1.052 434 K CB 0.263 32.802 32.500 0.065 0.000 0.861 434 K HN 0.508 nan 8.250 nan 0.000 0.535 435 D N 0.976 121.408 120.400 0.053 0.000 2.312 435 D HA 0.013 4.653 4.640 -0.001 0.000 0.252 435 D C 0.884 177.206 176.300 0.037 0.000 1.150 435 D CA -0.272 53.752 54.000 0.040 0.000 0.870 435 D CB 1.039 41.861 40.800 0.037 0.000 1.153 435 D HN -0.162 nan 8.370 nan 0.000 0.457 436 L N 4.189 125.429 121.223 0.029 0.000 1.989 436 L HA -0.149 4.191 4.340 -0.001 0.000 0.211 436 L C 1.289 178.181 176.870 0.037 0.000 1.071 436 L CA 1.969 56.826 54.840 0.028 0.000 0.749 436 L CB -0.473 41.599 42.059 0.021 0.000 0.890 436 L HN 0.517 nan 8.230 nan 0.000 0.431 437 D N -0.387 120.034 120.400 0.036 0.000 2.144 437 D HA -0.175 4.464 4.640 -0.001 0.000 0.199 437 D C 2.198 178.539 176.300 0.067 0.000 0.984 437 D CA 1.314 55.342 54.000 0.047 0.000 0.834 437 D CB -0.060 40.757 40.800 0.028 0.000 0.955 437 D HN 0.417 nan 8.370 nan 0.000 0.465 438 K N 0.569 120.995 120.400 0.044 0.000 2.057 438 K HA -0.024 4.295 4.320 -0.001 0.000 0.206 438 K C 2.155 178.820 176.600 0.108 0.000 1.050 438 K CA 1.111 57.429 56.287 0.052 0.000 0.935 438 K CB -0.085 32.438 32.500 0.039 0.000 0.715 438 K HN 0.018 nan 8.250 nan 0.000 0.439 439 A N 2.060 124.927 122.820 0.079 0.000 1.883 439 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 439 A C 1.831 179.455 177.584 0.066 0.000 1.186 439 A CA 1.772 53.848 52.037 0.065 0.000 0.624 439 A CB -0.502 18.521 19.000 0.038 0.000 0.822 439 A HN 0.231 nan 8.150 nan 0.000 0.444 440 N N -1.695 117.048 118.700 0.072 0.000 2.216 440 N HA -0.131 4.609 4.740 -0.001 0.000 0.183 440 N C 1.572 177.133 175.510 0.086 0.000 1.017 440 N CA 1.539 54.624 53.050 0.059 0.000 0.861 440 N CB -0.569 37.948 38.487 0.051 0.000 0.986 440 N HN 0.708 nan 8.380 nan 0.000 0.428 441 Y N 1.453 121.749 120.300 -0.008 0.000 2.145 441 Y HA -0.071 4.479 4.550 -0.001 0.000 0.286 441 Y C 2.154 178.041 175.900 -0.022 0.000 1.145 441 Y CA 1.370 59.463 58.100 -0.011 0.000 1.148 441 Y CB -0.265 38.192 38.460 -0.004 0.000 0.981 441 Y HN -0.055 nan 8.280 nan 0.000 0.507 442 L N -0.304 121.049 121.223 0.217 0.000 2.072 442 L HA -0.178 4.162 4.340 -0.001 0.000 0.205 442 L C 2.746 179.601 176.870 -0.026 0.000 1.079 442 L CA 1.393 56.288 54.840 0.091 0.000 0.752 442 L CB -0.737 41.395 42.059 0.123 0.000 0.906 442 L HN 0.349 nan 8.230 nan 0.000 0.436 443 S N -0.865 114.823 115.700 -0.020 0.000 2.399 443 S HA -0.290 4.179 4.470 -0.001 0.000 0.231 443 S C 1.884 176.429 174.600 -0.092 0.000 1.022 443 S CA 1.376 59.537 58.200 -0.064 0.000 0.983 443 S CB -0.354 62.814 63.200 -0.054 0.000 0.803 443 S HN 0.517 nan 8.310 nan 0.000 0.480 444 Q N 1.221 120.964 119.800 -0.094 0.000 2.096 444 Q HA 0.137 4.476 4.340 -0.001 0.000 0.197 444 Q C 2.232 178.147 176.000 -0.142 0.000 0.964 444 Q CA 1.038 56.774 55.803 -0.110 0.000 0.838 444 Q CB -0.490 28.180 28.738 -0.114 0.000 0.906 444 Q HN 0.675 nan 8.270 nan 0.000 0.444 445 A N 0.634 123.327 122.820 -0.211 0.000 2.014 445 A HA 0.086 4.405 4.320 -0.001 0.000 0.218 445 A C 0.884 178.385 177.584 -0.139 0.000 1.163 445 A CA 0.192 52.093 52.037 -0.225 0.000 0.652 445 A CB -0.304 18.464 19.000 -0.387 0.000 0.808 445 A HN 0.368 nan 8.150 nan 0.000 0.449 446 L N 0.906 122.056 121.223 -0.122 0.000 2.410 446 L HA 0.094 4.434 4.340 -0.001 0.000 0.273 446 L C 0.032 176.837 176.870 -0.108 0.000 1.144 446 L CA -0.193 54.584 54.840 -0.106 0.000 0.863 446 L CB 0.697 42.693 42.059 -0.104 0.000 1.140 446 L HN 0.367 nan 8.230 nan 0.000 0.463 447 Q N 3.829 123.592 119.800 -0.063 0.000 2.678 447 Q HA 0.515 4.855 4.340 -0.001 0.000 0.222 447 Q C -0.389 175.514 176.000 -0.160 0.000 1.281 447 Q CA -0.238 55.570 55.803 0.009 0.000 0.994 447 Q CB 0.708 29.508 28.738 0.102 0.000 1.452 447 Q HN 0.683 nan 8.270 nan 0.000 0.570 448 A N -0.040 122.436 122.820 -0.574 0.000 2.572 448 A HA 0.663 4.983 4.320 -0.001 0.000 0.295 448 A C 0.811 177.661 177.584 -1.223 0.000 1.072 448 A CA -0.425 51.173 52.037 -0.732 0.000 0.691 448 A CB 1.123 19.899 19.000 -0.373 0.000 1.291 448 A HN 0.543 nan 8.150 nan 0.000 0.404 449 G N -0.078 108.132 108.800 -0.984 0.000 2.443 449 G HA2 0.300 4.260 3.960 -0.001 0.000 0.219 449 G HA3 0.300 4.260 3.960 -0.001 0.000 0.219 449 G C 0.494 175.056 174.900 -0.564 0.000 1.131 449 G CA 1.674 46.337 45.100 -0.728 0.000 0.775 449 G HN 0.855 nan 8.290 nan 0.000 0.547 450 T N -0.361 113.840 114.554 -0.589 0.000 2.921 450 T HA 0.514 4.863 4.350 -0.001 0.000 0.297 450 T C -1.187 173.055 174.700 -0.764 0.000 1.013 450 T CA -0.390 61.300 62.100 -0.684 0.000 0.990 450 T CB 2.749 71.115 68.868 -0.838 0.000 1.023 450 T HN -0.109 nan 8.240 nan 0.000 0.447 451 V N 3.757 123.268 119.914 -0.671 0.000 2.407 451 V HA 0.453 4.573 4.120 -0.001 0.000 0.291 451 V C -0.753 175.068 176.094 -0.456 0.000 1.018 451 V CA -1.005 61.011 62.300 -0.475 0.000 0.842 451 V CB 1.396 33.061 31.823 -0.264 0.000 0.996 451 V HN 0.768 nan 8.190 nan 0.000 0.426 452 W N 3.518 124.713 121.300 -0.174 0.000 2.438 452 W HA 0.648 5.308 4.660 -0.001 0.000 0.324 452 W C -0.570 175.860 176.519 -0.149 0.000 1.119 452 W CA -0.683 56.555 57.345 -0.179 0.000 1.221 452 W CB 1.909 31.226 29.460 -0.239 0.000 1.253 452 W HN 0.262 nan 8.180 nan 0.000 0.555 453 V N 4.556 124.505 119.914 0.058 0.000 2.376 453 V HA 0.126 4.246 4.120 -0.001 0.000 0.287 453 V C 0.146 176.122 176.094 -0.196 0.000 1.015 453 V CA -0.911 61.342 62.300 -0.079 0.000 0.834 453 V CB 1.037 32.837 31.823 -0.038 0.000 1.001 453 V HN 0.681 nan 8.190 nan 0.000 0.428 454 N N 2.043 120.391 118.700 -0.587 0.000 2.741 454 N HA -0.173 4.567 4.740 -0.001 0.000 0.250 454 N C -0.267 175.115 175.510 -0.213 0.000 1.115 454 N CA 1.289 53.936 53.050 -0.672 0.000 0.724 454 N CB -1.124 37.297 38.487 -0.110 0.000 1.090 454 N HN 1.061 nan 8.380 nan 0.000 0.558 455 C N -4.044 115.073 119.300 -0.304 0.000 3.284 455 C HA 0.819 5.279 4.460 -0.001 0.000 0.348 455 C C -1.133 173.932 174.990 0.125 0.000 1.448 455 C CA -1.304 57.787 59.018 0.121 0.000 1.223 455 C CB 1.855 29.650 27.740 0.092 0.000 1.588 455 C HN 0.280 nan 8.230 nan 0.000 0.451 456 Y N -0.042 120.081 120.300 -0.295 0.000 2.565 456 Y HA 0.459 5.009 4.550 -0.001 0.000 0.330 456 Y C -0.486 174.817 175.900 -0.994 0.000 1.150 456 Y CA 0.416 58.104 58.100 -0.687 0.000 1.055 456 Y CB 1.310 39.699 38.460 -0.119 0.000 1.337 456 Y HN 1.035 nan 8.280 nan 0.000 0.457 457 D N 2.110 121.342 120.400 -1.946 0.000 2.800 457 D HA -0.132 4.508 4.640 -0.001 0.000 0.232 457 D C -1.058 174.835 176.300 -0.679 0.000 1.137 457 D CA 0.956 54.372 54.000 -0.974 0.000 0.718 457 D CB -1.011 39.819 40.800 0.050 0.000 1.084 457 D HN 0.166 nan 8.370 nan 0.000 0.432 458 V N 1.405 120.719 119.914 -1.000 0.000 2.320 458 V HA 0.372 4.492 4.120 -0.001 0.000 0.265 458 V C 0.433 176.428 176.094 -0.164 0.000 1.048 458 V CA -0.250 61.856 62.300 -0.323 0.000 0.865 458 V CB 0.118 31.833 31.823 -0.179 0.000 1.043 458 V HN -0.001 nan 8.190 nan 0.000 0.474 459 F N 2.390 122.367 119.950 0.045 0.000 2.492 459 F HA 0.856 5.382 4.527 -0.001 0.000 0.327 459 F C 0.749 176.546 175.800 -0.005 0.000 1.079 459 F CA -0.564 57.459 58.000 0.038 0.000 0.967 459 F CB 2.286 41.282 39.000 -0.007 0.000 1.169 459 F HN 0.510 nan 8.300 nan 0.000 0.472 460 G N -0.074 108.812 108.800 0.144 0.000 2.667 460 G HA2 0.518 4.478 3.960 -0.001 0.000 0.298 460 G HA3 0.518 4.478 3.960 -0.001 0.000 0.298 460 G C 0.002 174.825 174.900 -0.128 0.000 1.377 460 G CA -0.370 44.734 45.100 0.006 0.000 0.964 460 G HN 0.864 nan 8.290 nan 0.000 0.493 461 A N 0.690 123.357 122.820 -0.255 0.000 2.070 461 A HA -0.049 4.270 4.320 -0.001 0.000 0.220 461 A C 2.129 179.108 177.584 -1.008 0.000 1.159 461 A CA 1.921 53.629 52.037 -0.548 0.000 0.656 461 A CB -0.165 18.504 19.000 -0.552 0.000 0.800 461 A HN 0.581 nan 8.150 nan 0.000 0.453 462 Q N 0.062 119.420 119.800 -0.736 0.000 2.187 462 Q HA 0.113 4.453 4.340 -0.001 0.000 0.199 462 Q C 0.553 176.489 176.000 -0.107 0.000 0.957 462 Q CA 0.866 56.389 55.803 -0.465 0.000 0.857 462 Q CB -0.029 28.623 28.738 -0.144 0.000 0.929 462 Q HN 0.469 nan 8.270 nan 0.000 0.453 463 S N 2.320 117.972 115.700 -0.080 0.000 2.480 463 S HA 0.359 4.828 4.470 -0.001 0.000 0.286 463 S C -2.417 172.200 174.600 0.028 0.000 1.180 463 S CA -1.357 56.854 58.200 0.018 0.000 1.075 463 S CB 1.057 64.263 63.200 0.009 0.000 0.996 463 S HN 0.078 nan 8.310 nan 0.000 0.487 464 P HA 0.240 nan 4.420 nan 0.000 0.272 464 P C -1.027 176.305 177.300 0.054 0.000 1.223 464 P CA -0.263 62.861 63.100 0.040 0.000 0.784 464 P CB 0.374 32.027 31.700 -0.079 0.000 0.923 465 F N 1.563 121.441 119.950 -0.120 0.000 2.612 465 F HA 0.639 5.166 4.527 -0.001 0.000 0.332 465 F C -0.651 175.119 175.800 -0.049 0.000 1.167 465 F CA -0.035 57.919 58.000 -0.076 0.000 0.970 465 F CB 1.499 40.501 39.000 0.003 0.000 1.234 465 F HN 0.514 nan 8.300 nan 0.000 0.453 466 G N 2.567 111.041 108.800 -0.544 0.000 2.720 466 G HA2 0.545 4.505 3.960 -0.001 0.000 0.295 466 G HA3 0.545 4.505 3.960 -0.001 0.000 0.295 466 G C -1.257 173.411 174.900 -0.387 0.000 1.437 466 G CA -0.405 44.459 45.100 -0.392 0.000 0.886 466 G HN 0.950 nan 8.290 nan 0.000 0.509 467 G N -1.027 107.636 108.800 -0.228 0.000 2.491 467 G HA2 0.594 4.554 3.960 -0.001 0.000 0.327 467 G HA3 0.594 4.554 3.960 -0.001 0.000 0.327 467 G C -1.198 173.796 174.900 0.158 0.000 1.189 467 G CA -0.515 44.523 45.100 -0.104 0.000 0.956 467 G HN 0.376 nan 8.290 nan 0.000 0.491 468 Y N -0.033 120.209 120.300 -0.097 0.000 2.545 468 Y HA 0.440 4.989 4.550 -0.001 0.000 0.324 468 Y C 1.445 177.332 175.900 -0.023 0.000 1.220 468 Y CA -1.273 56.787 58.100 -0.067 0.000 1.290 468 Y CB 1.203 39.622 38.460 -0.068 0.000 1.355 468 Y HN 0.819 nan 8.280 nan 0.000 0.516 469 K N -0.533 119.928 120.400 0.101 0.000 1.824 469 K HA -0.321 3.999 4.320 -0.001 0.000 0.120 469 K C 0.820 177.448 176.600 0.046 0.000 1.268 469 K CA 2.016 58.332 56.287 0.047 0.000 0.420 469 K CB -1.069 31.470 32.500 0.065 0.000 0.586 469 K HN 0.623 nan 8.250 nan 0.000 0.907 470 M N 1.077 120.703 119.600 0.044 0.000 2.633 470 M HA 0.016 4.496 4.480 -0.001 0.000 0.226 470 M C 0.846 177.252 176.300 0.177 0.000 1.137 470 M CA 0.599 55.929 55.300 0.050 0.000 1.020 470 M CB 0.142 32.703 32.600 -0.065 0.000 1.675 470 M HN 0.294 nan 8.290 nan 0.000 0.500 471 S N 0.462 116.288 115.700 0.209 0.000 2.593 471 S HA 0.326 4.796 4.470 -0.001 0.000 0.217 471 S C 0.886 175.553 174.600 0.111 0.000 0.966 471 S CA 0.406 58.732 58.200 0.209 0.000 0.914 471 S CB 0.123 63.416 63.200 0.155 0.000 0.776 471 S HN 0.768 nan 8.310 nan 0.000 0.523 472 G N 0.967 109.823 108.800 0.093 0.000 2.343 472 G HA2 0.172 4.132 3.960 -0.001 0.000 0.562 472 G HA3 0.172 4.132 3.960 -0.001 0.000 0.562 472 G C -0.956 173.962 174.900 0.030 0.000 1.269 472 G CA -0.507 44.633 45.100 0.066 0.000 1.011 472 G HN 0.743 nan 8.290 nan 0.000 0.498 473 S N -1.066 114.644 115.700 0.018 0.000 2.564 473 S HA 1.018 5.488 4.470 -0.001 0.000 0.274 473 S C 0.507 175.099 174.600 -0.014 0.000 1.124 473 S CA 0.513 58.708 58.200 -0.009 0.000 0.869 473 S CB 1.582 64.773 63.200 -0.015 0.000 1.105 473 S HN 3.034 nan 8.310 nan 0.000 0.472 474 G N 1.302 110.084 108.800 -0.030 0.000 2.828 474 G HA2 0.128 4.088 3.960 -0.001 0.000 0.463 474 G HA3 0.128 4.088 3.960 -0.001 0.000 0.463 474 G C -1.319 173.564 174.900 -0.028 0.000 1.394 474 G CA -0.321 44.763 45.100 -0.026 0.000 0.862 474 G HN 1.025 nan 8.290 nan 0.000 0.540 475 Q N -0.375 119.421 119.800 -0.007 0.000 2.484 475 Q HA 0.751 5.091 4.340 -0.001 0.000 0.285 475 Q C -0.330 175.699 176.000 0.050 0.000 1.097 475 Q CA -0.794 55.004 55.803 -0.007 0.000 0.802 475 Q CB 2.301 31.014 28.738 -0.041 0.000 1.444 475 Q HN 0.699 nan 8.270 nan 0.000 0.429 476 E N 0.684 120.910 120.200 0.044 0.000 2.336 476 E HA 0.692 5.041 4.350 -0.001 0.000 0.267 476 E C -0.936 175.646 176.600 -0.030 0.000 0.906 476 E CA -0.852 55.562 56.400 0.024 0.000 0.781 476 E CB 1.769 31.465 29.700 -0.007 0.000 1.261 476 E HN 0.467 nan 8.360 nan 0.000 0.436 477 L N 0.039 121.265 121.223 0.005 0.000 0.585 477 L HA -0.269 4.071 4.340 -0.001 0.000 0.356 477 L C 0.601 177.578 176.870 0.177 0.000 0.973 477 L CA 0.861 55.723 54.840 0.036 0.000 1.223 477 L CB -1.190 40.711 42.059 -0.264 0.000 0.012 477 L HN 1.018 nan 8.230 nan 0.000 0.091 478 G N 0.281 109.150 108.800 0.115 0.000 2.752 478 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.234 478 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.234 478 G C 0.375 175.472 174.900 0.328 0.000 1.367 478 G CA 0.821 46.094 45.100 0.287 0.000 0.879 478 G HN 1.133 nan 8.290 nan 0.000 0.563 479 E N -1.011 119.300 120.200 0.185 0.000 2.150 479 E HA -0.087 4.263 4.350 -0.001 0.000 0.193 479 E C 2.163 178.562 176.600 -0.334 0.000 0.985 479 E CA 1.558 57.754 56.400 -0.340 0.000 0.814 479 E CB -0.123 29.413 29.700 -0.272 0.000 0.752 479 E HN 0.633 nan 8.360 nan 0.000 0.466 480 Y N -0.006 120.267 120.300 -0.046 0.000 2.207 480 Y HA -0.134 4.416 4.550 -0.001 0.000 0.287 480 Y C 2.462 178.333 175.900 -0.049 0.000 1.156 480 Y CA 1.132 59.212 58.100 -0.032 0.000 1.182 480 Y CB -0.658 37.806 38.460 0.007 0.000 0.979 480 Y HN 0.172 nan 8.280 nan 0.000 0.521 481 G N -0.160 108.732 108.800 0.154 0.000 2.498 481 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.219 481 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.219 481 G C 1.486 176.408 174.900 0.037 0.000 1.119 481 G CA 0.801 45.977 45.100 0.126 0.000 0.766 481 G HN 0.396 nan 8.290 nan 0.000 0.552 482 L N -0.599 120.516 121.223 -0.180 0.000 2.240 482 L HA 0.005 4.344 4.340 -0.001 0.000 0.211 482 L C 2.976 179.698 176.870 -0.246 0.000 1.106 482 L CA 0.473 55.082 54.840 -0.385 0.000 0.793 482 L CB -0.351 41.042 42.059 -1.110 0.000 0.927 482 L HN 0.244 nan 8.230 nan 0.000 0.446 483 Q N 0.416 120.135 119.800 -0.135 0.000 2.061 483 Q HA -0.216 4.124 4.340 -0.001 0.000 0.204 483 Q C 2.426 178.396 176.000 -0.050 0.000 0.984 483 Q CA 1.843 57.637 55.803 -0.015 0.000 0.846 483 Q CB -0.313 28.445 28.738 0.034 0.000 0.902 483 Q HN 0.565 nan 8.270 nan 0.000 0.421 484 A N -0.313 122.447 122.820 -0.100 0.000 2.121 484 A HA -0.132 4.188 4.320 -0.001 0.000 0.218 484 A C 0.972 178.295 177.584 -0.435 0.000 1.154 484 A CA 0.935 52.812 52.037 -0.267 0.000 0.679 484 A CB -0.335 18.448 19.000 -0.362 0.000 0.795 484 A HN 0.429 nan 8.150 nan 0.000 0.458 485 Y N -0.424 119.838 120.300 -0.063 0.000 2.524 485 Y HA 0.222 4.772 4.550 -0.001 0.000 0.266 485 Y C 0.362 176.250 175.900 -0.020 0.000 1.180 485 Y CA 0.072 58.142 58.100 -0.051 0.000 1.244 485 Y CB 0.504 38.919 38.460 -0.075 0.000 1.125 485 Y HN 0.064 nan 8.280 nan 0.000 0.524 486 T N -0.009 114.581 114.554 0.060 0.000 2.876 486 T HA 0.396 4.746 4.350 -0.001 0.000 0.289 486 T C -1.050 173.651 174.700 0.001 0.000 1.014 486 T CA -0.679 61.462 62.100 0.069 0.000 0.986 486 T CB 2.177 71.114 68.868 0.115 0.000 1.021 486 T HN -0.116 nan 8.240 nan 0.000 0.458 487 E N 1.330 121.543 120.200 0.022 0.000 2.183 487 E HA 0.589 4.939 4.350 -0.001 0.000 0.271 487 E C -1.265 175.329 176.600 -0.009 0.000 0.919 487 E CA -0.609 55.793 56.400 0.004 0.000 0.781 487 E CB 1.404 31.130 29.700 0.043 0.000 1.140 487 E HN 0.306 nan 8.360 nan 0.000 0.402 488 V N 4.712 124.607 119.914 -0.033 0.000 2.370 488 V HA 0.363 4.483 4.120 -0.001 0.000 0.279 488 V C -0.099 176.002 176.094 0.012 0.000 1.029 488 V CA -0.677 61.619 62.300 -0.007 0.000 0.870 488 V CB 1.227 33.026 31.823 -0.041 0.000 0.984 488 V HN 0.519 nan 8.190 nan 0.000 0.451 489 K N 3.349 123.768 120.400 0.033 0.000 2.274 489 K HA 0.523 4.843 4.320 -0.001 0.000 0.262 489 K C -0.544 176.012 176.600 -0.073 0.000 0.961 489 K CA -0.348 55.929 56.287 -0.016 0.000 0.833 489 K CB 1.458 33.956 32.500 -0.004 0.000 1.102 489 K HN 0.667 nan 8.250 nan 0.000 0.436 490 T N 3.025 117.505 114.554 -0.123 0.000 2.799 490 T HA 0.279 4.629 4.350 -0.001 0.000 0.286 490 T C -0.659 173.845 174.700 -0.327 0.000 0.973 490 T CA -0.519 61.453 62.100 -0.213 0.000 1.035 490 T CB 1.182 69.950 68.868 -0.166 0.000 0.932 490 T HN 0.296 nan 8.240 nan 0.000 0.469 491 V N 4.055 123.610 119.914 -0.598 0.000 2.409 491 V HA 0.465 4.585 4.120 -0.001 0.000 0.291 491 V C 0.087 175.792 176.094 -0.649 0.000 1.020 491 V CA -0.699 61.195 62.300 -0.676 0.000 0.848 491 V CB 1.820 33.012 31.823 -1.052 0.000 0.990 491 V HN 0.960 nan 8.190 nan 0.000 0.430 492 T N 4.627 118.964 114.554 -0.362 0.000 2.815 492 T HA 0.552 4.902 4.350 -0.001 0.000 0.289 492 T C -0.412 174.237 174.700 -0.085 0.000 1.000 492 T CA -0.354 61.597 62.100 -0.248 0.000 0.958 492 T CB 1.444 70.151 68.868 -0.268 0.000 0.944 492 T HN 0.329 nan 8.240 nan 0.000 0.442 493 V N 3.895 123.840 119.914 0.051 0.000 2.459 493 V HA 0.445 4.565 4.120 -0.001 0.000 0.295 493 V C 0.430 176.741 176.094 0.361 0.000 1.029 493 V CA -1.160 61.257 62.300 0.195 0.000 0.874 493 V CB 1.702 33.669 31.823 0.239 0.000 0.985 493 V HN 0.748 nan 8.190 nan 0.000 0.438 494 K N 3.915 124.516 120.400 0.334 0.000 2.412 494 K HA 0.442 4.762 4.320 -0.001 0.000 0.281 494 K C -0.497 176.161 176.600 0.097 0.000 1.027 494 K CA -0.211 56.220 56.287 0.240 0.000 0.989 494 K CB 0.969 33.572 32.500 0.172 0.000 0.935 494 K HN 0.679 nan 8.250 nan 0.000 0.475 495 V N 1.933 121.833 119.914 -0.024 0.000 2.864 495 V HA 0.406 4.526 4.120 -0.001 0.000 0.314 495 V C -2.171 173.879 176.094 -0.073 0.000 1.073 495 V CA -2.011 60.283 62.300 -0.009 0.000 0.956 495 V CB 1.410 33.250 31.823 0.028 0.000 1.023 495 V HN 0.689 nan 8.190 nan 0.000 0.435 496 P HA -0.107 nan 4.420 nan 0.000 0.215 496 P C 0.102 177.360 177.300 -0.070 0.000 1.157 496 P CA 1.430 64.499 63.100 -0.052 0.000 0.874 496 P CB 0.132 31.812 31.700 -0.033 0.000 0.790 497 Q N -1.253 118.508 119.800 -0.066 0.000 2.487 497 Q HA 0.126 4.466 4.340 -0.001 0.000 0.234 497 Q C -1.106 174.860 176.000 -0.055 0.000 0.828 497 Q CA -0.718 55.044 55.803 -0.067 0.000 0.907 497 Q CB 0.926 29.634 28.738 -0.050 0.000 1.462 497 Q HN -0.217 nan 8.270 nan 0.000 0.442 498 K N 3.799 124.163 120.400 -0.060 0.000 2.368 498 K HA 0.264 4.584 4.320 -0.001 0.000 0.282 498 K C -1.167 175.421 176.600 -0.020 0.000 1.035 498 K CA 0.344 56.614 56.287 -0.029 0.000 0.973 498 K CB 0.562 33.054 32.500 -0.012 0.000 0.957 498 K HN 0.713 nan 8.250 nan 0.000 0.474 499 N N 1.270 119.960 118.700 -0.016 0.000 2.262 499 N HA 0.135 4.875 4.740 -0.001 0.000 0.295 499 N C -0.628 174.877 175.510 -0.008 0.000 1.161 499 N CA -0.485 52.557 53.050 -0.014 0.000 0.767 499 N CB 1.834 40.308 38.487 -0.023 0.000 1.499 499 N HN 0.703 nan 8.380 nan 0.000 0.476 500 S N 0.000 115.698 115.700 -0.004 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 500 S CA 0.000 58.200 58.200 0.001 0.000 1.107 500 S CB 0.000 63.202 63.200 0.003 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517