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 1o01_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 GYKMSGSGRE 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 0.000 177.574 177.584 -0.016 0.000 1.274 7 A CA 0.000 52.051 52.037 0.023 0.000 0.836 7 A CB 0.000 19.020 19.000 0.033 0.000 0.831 8 V N 3.370 123.239 119.914 -0.076 0.000 2.394 8 V HA 0.484 4.604 4.120 -0.001 0.000 0.282 8 V C -1.902 174.080 176.094 -0.188 0.000 1.031 8 V CA -1.377 60.761 62.300 -0.270 0.000 0.881 8 V CB 1.226 32.911 31.823 -0.230 0.000 0.982 8 V HN 0.800 nan 8.190 nan 0.000 0.451 9 P HA 0.266 nan 4.420 nan 0.000 0.268 9 P C -0.207 177.098 177.300 0.009 0.000 1.205 9 P CA -0.095 62.955 63.100 -0.083 0.000 0.771 9 P CB 0.482 32.149 31.700 -0.055 0.000 0.858 10 A N 4.934 127.750 122.820 -0.008 0.000 2.548 10 A HA 0.279 4.599 4.320 -0.001 0.000 0.247 10 A C -1.671 175.836 177.584 -0.129 0.000 1.067 10 A CA -0.615 51.393 52.037 -0.048 0.000 0.757 10 A CB -1.011 17.957 19.000 -0.053 0.000 0.996 10 A HN 0.428 nan 8.150 nan 0.000 0.504 11 P HA 0.170 nan 4.420 nan 0.000 0.281 11 P C -0.877 176.173 177.300 -0.417 0.000 1.249 11 P CA -0.735 62.014 63.100 -0.586 0.000 0.810 11 P CB 0.873 31.762 31.700 -1.350 0.000 1.008 12 N N 1.635 120.135 118.700 -0.333 0.000 2.420 12 N HA 0.035 4.775 4.740 -0.001 0.000 0.249 12 N C 0.750 175.926 175.510 -0.558 0.000 1.033 12 N CA 0.064 52.932 53.050 -0.303 0.000 0.944 12 N CB 0.500 38.907 38.487 -0.134 0.000 1.113 12 N HN 0.249 nan 8.380 nan 0.000 0.502 13 Q N 1.443 120.795 119.800 -0.746 0.000 2.488 13 Q HA 0.024 4.363 4.340 -0.001 0.000 0.211 13 Q C -0.287 175.289 176.000 -0.707 0.000 0.967 13 Q CA 0.790 55.823 55.803 -1.284 0.000 0.926 13 Q CB 0.360 28.508 28.738 -0.983 0.000 0.992 13 Q HN 0.545 nan 8.270 nan 0.000 0.506 14 Q N 0.680 120.249 119.800 -0.385 0.000 3.394 14 Q HA 0.243 4.582 4.340 -0.001 0.000 0.285 14 Q C -2.534 173.379 176.000 -0.144 0.000 0.866 14 Q CA -1.385 54.294 55.803 -0.206 0.000 0.844 14 Q CB 1.320 29.961 28.738 -0.162 0.000 1.472 14 Q HN 0.186 nan 8.270 nan 0.000 0.401 15 P HA 0.063 nan 4.420 nan 0.000 0.271 15 P C 0.113 177.366 177.300 -0.078 0.000 1.216 15 P CA -0.120 62.960 63.100 -0.034 0.000 0.771 15 P CB 1.169 32.836 31.700 -0.055 0.000 0.864 16 E N 2.156 122.279 120.200 -0.127 0.000 2.383 16 E HA 0.176 4.525 4.350 -0.001 0.000 0.264 16 E C -0.873 175.381 176.600 -0.577 0.000 1.050 16 E CA -0.248 55.920 56.400 -0.386 0.000 0.896 16 E CB 0.432 29.810 29.700 -0.536 0.000 0.982 16 E HN 0.131 nan 8.360 nan 0.000 0.424 17 V N 6.373 125.974 119.914 -0.521 0.000 2.370 17 V HA 0.203 4.323 4.120 -0.001 0.000 0.279 17 V C 0.163 175.969 176.094 -0.480 0.000 1.029 17 V CA -0.126 61.940 62.300 -0.391 0.000 0.870 17 V CB 0.746 32.445 31.823 -0.207 0.000 0.984 17 V HN 0.745 nan 8.190 nan 0.000 0.451 18 F N 1.622 121.580 119.950 0.013 0.000 2.678 18 F HA 0.238 4.765 4.527 -0.001 0.000 0.291 18 F C 0.943 176.622 175.800 -0.202 0.000 1.123 18 F CA -0.059 57.911 58.000 -0.050 0.000 1.395 18 F CB 0.453 39.474 39.000 0.034 0.000 1.121 18 F HN 0.385 nan 8.300 nan 0.000 0.592 19 C N 1.894 121.153 119.300 -0.069 0.000 2.396 19 C HA 0.434 4.894 4.460 -0.001 0.000 0.321 19 C C 0.245 175.043 174.990 -0.319 0.000 1.233 19 C CA -0.850 57.890 59.018 -0.464 0.000 1.440 19 C CB 0.625 28.060 27.740 -0.508 0.000 2.110 19 C HN 0.537 nan 8.230 nan 0.000 0.473 20 N N 1.091 119.576 118.700 -0.357 0.000 2.361 20 N HA 0.065 4.804 4.740 -0.001 0.000 0.253 20 N C -0.494 174.973 175.510 -0.073 0.000 1.413 20 N CA -0.263 52.683 53.050 -0.174 0.000 0.821 20 N CB 0.004 38.390 38.487 -0.168 0.000 1.380 20 N HN 0.800 nan 8.380 nan 0.000 0.493 21 Q N -0.094 119.719 119.800 0.021 0.000 2.962 21 Q HA 0.582 4.922 4.340 -0.001 0.000 0.282 21 Q C -0.547 175.778 176.000 0.543 0.000 1.058 21 Q CA -0.986 54.986 55.803 0.282 0.000 0.854 21 Q CB 1.872 30.815 28.738 0.341 0.000 1.441 21 Q HN 0.124 nan 8.270 nan 0.000 0.497 22 I N 1.293 122.155 120.570 0.485 0.000 2.342 22 I HA 0.175 4.344 4.170 -0.001 0.000 0.291 22 I C -0.837 175.518 176.117 0.397 0.000 1.010 22 I CA -0.190 61.348 61.300 0.396 0.000 1.308 22 I CB 0.496 38.645 38.000 0.249 0.000 1.400 22 I HN 0.366 nan 8.210 nan 0.000 0.488 23 F N 8.410 128.368 119.950 0.013 0.000 2.371 23 F HA 0.604 5.131 4.527 -0.001 0.000 0.363 23 F C -0.463 175.230 175.800 -0.179 0.000 1.122 23 F CA -0.337 57.444 58.000 -0.365 0.000 1.129 23 F CB 0.341 38.973 39.000 -0.614 0.000 1.173 23 F HN 0.190 nan 8.300 nan 0.000 0.489 24 I N 5.483 125.793 120.570 -0.434 0.000 2.607 24 I HA 0.200 4.370 4.170 -0.001 0.000 0.290 24 I C -0.406 175.471 176.117 -0.399 0.000 1.129 24 I CA -1.079 60.019 61.300 -0.338 0.000 1.042 24 I CB 1.879 39.716 38.000 -0.272 0.000 1.242 24 I HN 0.473 nan 8.210 nan 0.000 0.421 25 N N 4.617 123.095 118.700 -0.370 0.000 2.727 25 N HA -0.217 4.523 4.740 -0.001 0.000 0.249 25 N C -0.025 175.229 175.510 -0.426 0.000 1.048 25 N CA 0.883 53.758 53.050 -0.292 0.000 0.714 25 N CB -0.913 37.485 38.487 -0.148 0.000 0.959 25 N HN 0.782 nan 8.380 nan 0.000 0.544 26 N N -1.504 116.712 118.700 -0.807 0.000 2.708 26 N HA -0.201 4.538 4.740 -0.001 0.000 0.251 26 N C -0.810 174.226 175.510 -0.790 0.000 1.123 26 N CA 1.488 54.023 53.050 -0.859 0.000 0.739 26 N CB -0.366 37.972 38.487 -0.248 0.000 1.113 26 N HN 0.591 nan 8.380 nan 0.000 0.561 27 E N -1.217 118.431 120.200 -0.921 0.000 2.369 27 E HA 0.380 4.730 4.350 -0.001 0.000 0.270 27 E C -0.315 175.823 176.600 -0.770 0.000 0.909 27 E CA -0.522 55.491 56.400 -0.646 0.000 0.775 27 E CB 0.684 30.132 29.700 -0.421 0.000 1.270 27 E HN 0.120 nan 8.360 nan 0.000 0.445 28 W N 0.864 121.998 121.300 -0.277 0.000 2.351 28 W HA 0.333 4.993 4.660 -0.001 0.000 0.311 28 W C 0.161 176.479 176.519 -0.335 0.000 1.168 28 W CA -0.164 57.103 57.345 -0.129 0.000 1.200 28 W CB 0.716 30.181 29.460 0.008 0.000 1.221 28 W HN 0.389 nan 8.180 nan 0.000 0.519 29 H N 0.704 119.933 119.070 0.265 0.000 2.768 29 H HA 0.285 4.840 4.556 -0.001 0.000 0.371 29 H C -0.369 175.060 175.328 0.168 0.000 1.151 29 H CA -0.953 55.189 56.048 0.157 0.000 1.165 29 H CB 1.473 31.279 29.762 0.072 0.000 1.722 29 H HN 0.241 nan 8.280 nan 0.000 0.543 30 D N 0.513 121.060 120.400 0.245 0.000 2.383 30 D HA 0.379 5.018 4.640 -0.001 0.000 0.248 30 D C 0.339 176.737 176.300 0.163 0.000 1.170 30 D CA -0.451 53.653 54.000 0.174 0.000 0.977 30 D CB 1.047 41.920 40.800 0.122 0.000 1.120 30 D HN 0.648 nan 8.370 nan 0.000 0.481 31 A N 0.410 123.313 122.820 0.137 0.000 2.445 31 A HA 0.126 4.446 4.320 -0.001 0.000 0.242 31 A C 1.506 179.148 177.584 0.096 0.000 1.075 31 A CA -0.464 51.645 52.037 0.120 0.000 0.777 31 A CB 0.358 19.434 19.000 0.128 0.000 1.013 31 A HN 0.398 nan 8.150 nan 0.000 0.493 32 V N 2.219 122.179 119.914 0.076 0.000 2.469 32 V HA -0.246 3.874 4.120 -0.001 0.000 0.251 32 V C 2.657 178.789 176.094 0.062 0.000 1.064 32 V CA 2.761 65.097 62.300 0.061 0.000 1.066 32 V CB -0.795 31.055 31.823 0.044 0.000 0.667 32 V HN 1.114 nan 8.190 nan 0.000 0.461 33 S N -1.104 114.638 115.700 0.070 0.000 2.527 33 S HA -0.061 4.409 4.470 -0.001 0.000 0.222 33 S C 1.233 175.876 174.600 0.072 0.000 0.985 33 S CA 0.195 58.436 58.200 0.068 0.000 0.921 33 S CB -0.084 63.161 63.200 0.075 0.000 0.772 33 S HN 0.555 nan 8.310 nan 0.000 0.529 34 R N -0.224 120.324 120.500 0.080 0.000 3.954 34 R HA -0.106 4.233 4.340 -0.001 0.000 0.422 34 R C -0.730 175.620 176.300 0.084 0.000 1.091 34 R CA 1.068 57.214 56.100 0.078 0.000 1.168 34 R CB -2.285 28.053 30.300 0.062 0.000 1.752 34 R HN 0.549 nan 8.270 nan 0.000 0.547 35 K N 1.419 121.880 120.400 0.103 0.000 2.237 35 K HA 0.268 4.587 4.320 -0.001 0.000 0.270 35 K C 0.788 177.479 176.600 0.152 0.000 1.015 35 K CA 0.544 56.906 56.287 0.125 0.000 0.949 35 K CB 0.846 33.433 32.500 0.145 0.000 0.976 35 K HN 0.238 nan 8.250 nan 0.000 0.472 36 T N -0.909 113.735 114.554 0.151 0.000 2.906 36 T HA 0.688 5.037 4.350 -0.001 0.000 0.295 36 T C -0.793 174.037 174.700 0.217 0.000 1.075 36 T CA -1.037 61.138 62.100 0.126 0.000 1.005 36 T CB 0.714 69.585 68.868 0.005 0.000 1.136 36 T HN 0.463 nan 8.240 nan 0.000 0.498 37 F N -0.575 119.407 119.950 0.052 0.000 2.576 37 F HA 0.872 5.399 4.527 -0.001 0.000 0.313 37 F C -3.058 172.765 175.800 0.038 0.000 1.078 37 F CA -2.933 55.118 58.000 0.085 0.000 0.921 37 F CB 1.558 40.625 39.000 0.112 0.000 1.232 37 F HN 0.406 nan 8.300 nan 0.000 0.459 38 P HA 0.187 nan 4.420 nan 0.000 0.282 38 P C -0.983 176.343 177.300 0.044 0.000 1.249 38 P CA -0.179 62.919 63.100 -0.004 0.000 0.806 38 P CB 1.980 33.715 31.700 0.057 0.000 0.984 39 T N 1.614 116.138 114.554 -0.051 0.000 2.792 39 T HA 0.399 4.748 4.350 -0.001 0.000 0.280 39 T C -0.556 174.140 174.700 -0.007 0.000 0.990 39 T CA -0.514 61.587 62.100 0.001 0.000 0.960 39 T CB 0.381 69.221 68.868 -0.046 0.000 0.939 39 T HN 0.067 nan 8.240 nan 0.000 0.439 40 V N 5.452 125.374 119.914 0.014 0.000 2.716 40 V HA 0.471 4.591 4.120 -0.001 0.000 0.304 40 V C 0.488 176.575 176.094 -0.011 0.000 1.053 40 V CA -1.101 61.204 62.300 0.008 0.000 0.984 40 V CB 1.722 33.572 31.823 0.044 0.000 1.021 40 V HN 0.865 nan 8.190 nan 0.000 0.467 41 N N 5.483 124.170 118.700 -0.021 0.000 2.437 41 N HA 0.244 4.983 4.740 -0.001 0.000 0.243 41 N C -1.388 174.089 175.510 -0.056 0.000 1.041 41 N CA -2.104 50.924 53.050 -0.036 0.000 0.940 41 N CB 1.696 40.168 38.487 -0.025 0.000 1.133 41 N HN 0.318 nan 8.380 nan 0.000 0.506 42 P HA -0.066 nan 4.420 nan 0.000 0.225 42 P C 0.694 177.817 177.300 -0.295 0.000 1.148 42 P CA 0.839 63.897 63.100 -0.071 0.000 0.779 42 P CB 0.454 32.114 31.700 -0.066 0.000 0.780 43 S N -0.479 115.092 115.700 -0.215 0.000 2.414 43 S HA -0.047 4.423 4.470 -0.001 0.000 0.227 43 S C 1.865 176.435 174.600 -0.050 0.000 1.022 43 S CA 1.847 59.965 58.200 -0.136 0.000 0.958 43 S CB -0.676 62.547 63.200 0.038 0.000 0.797 43 S HN 0.456 nan 8.310 nan 0.000 0.493 44 T N -3.123 111.366 114.554 -0.107 0.000 2.959 44 T HA 0.459 4.809 4.350 -0.001 0.000 0.254 44 T C 1.495 176.089 174.700 -0.177 0.000 1.003 44 T CA 0.792 62.831 62.100 -0.101 0.000 0.950 44 T CB 0.383 69.222 68.868 -0.049 0.000 1.090 44 T HN 0.488 nan 8.240 nan 0.000 0.503 45 G N 1.505 110.171 108.800 -0.225 0.000 2.159 45 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.256 45 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.256 45 G C -0.190 174.665 174.900 -0.074 0.000 0.977 45 G CA 0.128 45.106 45.100 -0.204 0.000 0.652 45 G HN 0.597 nan 8.290 nan 0.000 0.531 46 E N -0.068 120.095 120.200 -0.062 0.000 2.283 46 E HA 0.518 4.868 4.350 -0.001 0.000 0.271 46 E C 0.650 177.236 176.600 -0.025 0.000 1.031 46 E CA -0.732 55.646 56.400 -0.037 0.000 0.868 46 E CB 1.873 31.550 29.700 -0.039 0.000 1.094 46 E HN 0.137 nan 8.360 nan 0.000 0.401 47 V N 3.834 123.736 119.914 -0.019 0.000 2.572 47 V HA 0.002 4.122 4.120 -0.001 0.000 0.291 47 V C 1.701 177.772 176.094 -0.037 0.000 1.039 47 V CA 0.344 62.632 62.300 -0.021 0.000 1.055 47 V CB 0.281 32.094 31.823 -0.017 0.000 0.969 47 V HN 0.617 nan 8.190 nan 0.000 0.482 48 I N 3.691 124.234 120.570 -0.046 0.000 2.339 48 I HA 0.052 4.221 4.170 -0.001 0.000 0.245 48 I C 0.960 177.031 176.117 -0.077 0.000 1.096 48 I CA 1.272 62.536 61.300 -0.060 0.000 1.408 48 I CB 0.221 38.183 38.000 -0.062 0.000 1.092 48 I HN 0.888 nan 8.210 nan 0.000 0.423 49 C N -2.238 117.007 119.300 -0.091 0.000 3.211 49 C HA 0.404 4.864 4.460 -0.001 0.000 0.350 49 C C -1.318 173.586 174.990 -0.143 0.000 1.413 49 C CA -1.206 57.748 59.018 -0.108 0.000 1.203 49 C CB 1.202 28.868 27.740 -0.122 0.000 1.506 49 C HN 0.136 nan 8.230 nan 0.000 0.448 50 Q N 0.529 120.239 119.800 -0.150 0.000 2.227 50 Q HA 0.768 5.107 4.340 -0.001 0.000 0.245 50 Q C -0.668 175.157 176.000 -0.292 0.000 0.926 50 Q CA -0.240 55.443 55.803 -0.200 0.000 0.895 50 Q CB 1.924 30.592 28.738 -0.117 0.000 1.230 50 Q HN 0.756 nan 8.270 nan 0.000 0.450 51 V N 0.589 120.197 119.914 -0.510 0.000 2.709 51 V HA 0.487 4.606 4.120 -0.001 0.000 0.308 51 V C -0.433 175.421 176.094 -0.400 0.000 1.062 51 V CA -1.289 60.682 62.300 -0.548 0.000 0.901 51 V CB 1.885 33.182 31.823 -0.877 0.000 1.003 51 V HN 0.896 nan 8.190 nan 0.000 0.425 52 A N 2.659 125.425 122.820 -0.090 0.000 2.566 52 A HA 0.153 4.472 4.320 -0.001 0.000 0.245 52 A C 0.423 178.160 177.584 0.255 0.000 1.056 52 A CA 0.337 52.426 52.037 0.088 0.000 0.757 52 A CB -0.152 18.933 19.000 0.142 0.000 0.979 52 A HN 0.910 nan 8.150 nan 0.000 0.508 53 E N 3.047 123.435 120.200 0.314 0.000 1.936 53 E HA 0.347 4.697 4.350 -0.001 0.000 0.267 53 E C 0.698 177.417 176.600 0.199 0.000 1.076 53 E CA -0.246 56.374 56.400 0.366 0.000 0.870 53 E CB 0.129 30.061 29.700 0.387 0.000 1.093 53 E HN 0.801 nan 8.360 nan 0.000 0.411 54 G N 3.432 112.328 108.800 0.160 0.000 2.441 54 G HA2 0.054 4.014 3.960 -0.001 0.000 0.243 54 G HA3 0.054 4.014 3.960 -0.001 0.000 0.243 54 G C -0.327 174.628 174.900 0.091 0.000 1.281 54 G CA -0.225 44.944 45.100 0.115 0.000 0.854 54 G HN 0.568 nan 8.290 nan 0.000 0.560 55 D N -0.255 120.197 120.400 0.087 0.000 2.837 55 D HA 0.194 4.833 4.640 -0.001 0.000 0.294 55 D C 1.312 177.654 176.300 0.070 0.000 1.158 55 D CA -0.806 53.243 54.000 0.082 0.000 1.073 55 D CB 1.551 42.402 40.800 0.085 0.000 1.419 55 D HN 0.278 nan 8.370 nan 0.000 0.584 56 K N 0.335 120.774 120.400 0.066 0.000 2.059 56 K HA -0.203 4.117 4.320 -0.001 0.000 0.212 56 K C 1.507 178.147 176.600 0.067 0.000 1.050 56 K CA 1.769 58.096 56.287 0.067 0.000 0.927 56 K CB 0.019 32.550 32.500 0.053 0.000 0.714 56 K HN 0.338 nan 8.250 nan 0.000 0.447 57 E N 0.123 120.356 120.200 0.053 0.000 2.153 57 E HA -0.183 4.167 4.350 -0.001 0.000 0.194 57 E C 1.661 178.281 176.600 0.033 0.000 0.988 57 E CA 1.296 57.722 56.400 0.044 0.000 0.811 57 E CB -0.005 29.717 29.700 0.037 0.000 0.746 57 E HN 0.453 nan 8.360 nan 0.000 0.466 58 D N 0.225 120.647 120.400 0.037 0.000 2.149 58 D HA -0.088 4.552 4.640 -0.001 0.000 0.201 58 D C 2.102 178.406 176.300 0.008 0.000 0.972 58 D CA 0.617 54.628 54.000 0.018 0.000 0.835 58 D CB 0.081 40.908 40.800 0.045 0.000 0.966 58 D HN 0.045 nan 8.370 nan 0.000 0.476 59 V N 1.865 121.799 119.914 0.032 0.000 2.358 59 V HA -0.201 3.918 4.120 -0.001 0.000 0.246 59 V C 1.955 178.045 176.094 -0.005 0.000 1.047 59 V CA 1.597 63.909 62.300 0.020 0.000 1.035 59 V CB -0.353 31.506 31.823 0.061 0.000 0.658 59 V HN 0.012 nan 8.190 nan 0.000 0.452 60 D N 0.190 120.627 120.400 0.061 0.000 2.104 60 D HA -0.174 4.465 4.640 -0.001 0.000 0.194 60 D C 2.264 178.568 176.300 0.008 0.000 0.994 60 D CA 1.348 55.410 54.000 0.102 0.000 0.830 60 D CB -0.201 40.677 40.800 0.129 0.000 0.959 60 D HN 0.415 nan 8.370 nan 0.000 0.452 61 K N 0.462 120.848 120.400 -0.023 0.000 2.057 61 K HA -0.050 4.270 4.320 -0.001 0.000 0.207 61 K C 2.123 178.666 176.600 -0.096 0.000 1.049 61 K CA 1.161 57.407 56.287 -0.069 0.000 0.931 61 K CB -0.079 32.354 32.500 -0.113 0.000 0.714 61 K HN 0.034 nan 8.250 nan 0.000 0.440 62 A N 0.917 123.680 122.820 -0.095 0.000 1.877 62 A HA -0.120 4.200 4.320 -0.001 0.000 0.216 62 A C 2.364 179.880 177.584 -0.113 0.000 1.186 62 A CA 1.417 53.393 52.037 -0.100 0.000 0.620 62 A CB -0.646 18.312 19.000 -0.071 0.000 0.822 62 A HN 0.070 nan 8.150 nan 0.000 0.443 63 V N 0.144 119.962 119.914 -0.160 0.000 2.343 63 V HA -0.265 3.854 4.120 -0.001 0.000 0.247 63 V C 2.424 178.446 176.094 -0.119 0.000 1.051 63 V CA 2.333 64.501 62.300 -0.220 0.000 1.036 63 V CB -0.691 30.807 31.823 -0.542 0.000 0.654 63 V HN 0.538 nan 8.190 nan 0.000 0.451 64 K N 0.286 120.641 120.400 -0.075 0.000 2.097 64 K HA -0.103 4.217 4.320 -0.001 0.000 0.206 64 K C 2.310 178.896 176.600 -0.023 0.000 1.049 64 K CA 1.429 57.702 56.287 -0.024 0.000 0.933 64 K CB -0.396 32.100 32.500 -0.008 0.000 0.717 64 K HN 0.477 nan 8.250 nan 0.000 0.442 65 A N 1.457 124.247 122.820 -0.050 0.000 1.898 65 A HA -0.095 4.225 4.320 -0.001 0.000 0.216 65 A C 2.360 179.927 177.584 -0.029 0.000 1.181 65 A CA 1.781 53.787 52.037 -0.051 0.000 0.620 65 A CB -0.643 18.302 19.000 -0.093 0.000 0.819 65 A HN 0.325 nan 8.150 nan 0.000 0.442 66 A N -0.221 122.576 122.820 -0.038 0.000 1.898 66 A HA -0.121 4.198 4.320 -0.001 0.000 0.216 66 A C 2.177 179.798 177.584 0.061 0.000 1.181 66 A CA 2.062 54.091 52.037 -0.013 0.000 0.620 66 A CB -0.439 18.529 19.000 -0.052 0.000 0.819 66 A HN 0.444 nan 8.150 nan 0.000 0.442 67 R N 0.389 120.917 120.500 0.047 0.000 2.091 67 R HA -0.054 4.286 4.340 -0.001 0.000 0.238 67 R C 2.120 178.512 176.300 0.154 0.000 1.136 67 R CA 2.059 58.226 56.100 0.111 0.000 0.959 67 R CB -0.994 29.348 30.300 0.068 0.000 0.856 67 R HN 0.389 nan 8.270 nan 0.000 0.437 68 A N 0.188 123.064 122.820 0.093 0.000 1.902 68 A HA -0.030 4.289 4.320 -0.001 0.000 0.217 68 A C 2.350 180.000 177.584 0.111 0.000 1.181 68 A CA 1.820 53.907 52.037 0.083 0.000 0.623 68 A CB -1.067 17.958 19.000 0.043 0.000 0.818 68 A HN 0.484 nan 8.150 nan 0.000 0.443 69 A N -2.161 120.732 122.820 0.121 0.000 2.067 69 A HA 0.046 4.365 4.320 -0.001 0.000 0.219 69 A C 1.789 179.548 177.584 0.292 0.000 1.158 69 A CA 1.329 53.459 52.037 0.156 0.000 0.661 69 A CB -0.538 18.510 19.000 0.080 0.000 0.801 69 A HN 0.609 nan 8.150 nan 0.000 0.452 70 F N 0.220 120.255 119.950 0.141 0.000 2.765 70 F HA 0.216 4.742 4.527 -0.001 0.000 0.302 70 F C 1.029 176.904 175.800 0.124 0.000 1.111 70 F CA -0.132 57.975 58.000 0.179 0.000 1.359 70 F CB -0.080 39.009 39.000 0.148 0.000 1.097 70 F HN 0.295 nan 8.300 nan 0.000 0.577 71 Q N 1.809 121.660 119.800 0.086 0.000 2.349 71 Q HA 0.051 4.391 4.340 -0.001 0.000 0.287 71 Q C -0.368 175.579 176.000 -0.088 0.000 1.044 71 Q CA -0.436 55.370 55.803 0.006 0.000 0.918 71 Q CB 0.675 29.440 28.738 0.045 0.000 1.242 71 Q HN 0.250 nan 8.270 nan 0.000 0.405 72 L N 4.013 125.173 121.223 -0.105 0.000 2.525 72 L HA 0.085 4.424 4.340 -0.001 0.000 0.278 72 L C 1.230 178.066 176.870 -0.057 0.000 1.218 72 L CA 2.404 57.178 54.840 -0.109 0.000 0.878 72 L CB 0.315 42.330 42.059 -0.073 0.000 1.127 72 L HN 0.963 nan 8.230 nan 0.000 0.492 73 G N 1.840 110.606 108.800 -0.057 0.000 2.199 73 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.254 73 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.254 73 G C 0.374 175.269 174.900 -0.007 0.000 0.982 73 G CA 0.431 45.515 45.100 -0.028 0.000 0.632 73 G HN 1.085 nan 8.290 nan 0.000 0.529 74 S N 0.398 116.099 115.700 0.002 0.000 2.608 74 S HA 0.583 5.053 4.470 -0.001 0.000 0.261 74 S C -0.618 174.024 174.600 0.070 0.000 1.314 74 S CA -0.313 57.915 58.200 0.046 0.000 0.992 74 S CB 1.870 65.119 63.200 0.081 0.000 0.935 74 S HN -0.001 nan 8.310 nan 0.000 0.564 75 P HA -0.105 nan 4.420 nan 0.000 0.216 75 P C 1.255 178.678 177.300 0.206 0.000 1.153 75 P CA 1.209 64.383 63.100 0.123 0.000 0.858 75 P CB -0.104 31.673 31.700 0.130 0.000 0.789 76 W N 0.104 121.427 121.300 0.039 0.000 2.388 76 W HA -0.134 4.526 4.660 -0.001 0.000 0.294 76 W C 1.686 178.229 176.519 0.040 0.000 1.212 76 W CA 0.639 58.025 57.345 0.070 0.000 1.271 76 W CB -0.068 29.462 29.460 0.117 0.000 1.126 76 W HN -0.154 nan 8.180 nan 0.000 0.535 77 R N 0.369 120.867 120.500 -0.003 0.000 2.093 77 R HA -0.038 4.302 4.340 -0.001 0.000 0.224 77 R C 2.103 178.310 176.300 -0.156 0.000 1.101 77 R CA 1.003 56.994 56.100 -0.181 0.000 0.979 77 R CB -0.704 29.479 30.300 -0.195 0.000 0.877 77 R HN 0.307 nan 8.270 nan 0.000 0.441 78 R N -0.103 120.348 120.500 -0.083 0.000 2.153 78 R HA 0.135 4.474 4.340 -0.001 0.000 0.218 78 R C 1.189 177.443 176.300 -0.077 0.000 1.072 78 R CA -0.112 55.947 56.100 -0.068 0.000 0.990 78 R CB -0.101 30.177 30.300 -0.037 0.000 0.889 78 R HN 0.116 nan 8.270 nan 0.000 0.452 79 M N 2.465 122.016 119.600 -0.081 0.000 2.261 79 M HA -0.083 4.397 4.480 -0.001 0.000 0.350 79 M C -0.785 175.460 176.300 -0.092 0.000 1.343 79 M CA 0.499 55.755 55.300 -0.073 0.000 1.003 79 M CB 0.458 33.038 32.600 -0.032 0.000 1.848 79 M HN -0.035 nan 8.290 nan 0.000 0.456 80 D N 4.274 124.649 120.400 -0.041 0.000 2.443 80 D HA 0.083 4.723 4.640 -0.001 0.000 0.239 80 D C 0.865 177.157 176.300 -0.013 0.000 1.136 80 D CA 0.545 54.534 54.000 -0.019 0.000 0.879 80 D CB 1.059 41.866 40.800 0.012 0.000 1.195 80 D HN 0.765 nan 8.370 nan 0.000 0.443 81 A N 2.406 125.210 122.820 -0.027 0.000 1.940 81 A HA -0.224 4.096 4.320 -0.001 0.000 0.219 81 A C 2.126 179.717 177.584 0.013 0.000 1.176 81 A CA 2.183 54.206 52.037 -0.024 0.000 0.631 81 A CB -0.578 18.424 19.000 0.003 0.000 0.814 81 A HN 0.598 nan 8.150 nan 0.000 0.446 82 S N -1.179 114.539 115.700 0.031 0.000 2.399 82 S HA -0.248 4.222 4.470 -0.001 0.000 0.231 82 S C 1.840 176.464 174.600 0.040 0.000 1.022 82 S CA 1.596 59.817 58.200 0.036 0.000 0.983 82 S CB -0.713 62.510 63.200 0.038 0.000 0.803 82 S HN 0.735 nan 8.310 nan 0.000 0.480 83 H N 1.583 120.639 119.070 -0.024 0.000 2.428 83 H HA 0.223 4.778 4.556 -0.001 0.000 0.296 83 H C 2.293 177.608 175.328 -0.022 0.000 1.062 83 H CA 1.355 57.388 56.048 -0.026 0.000 1.350 83 H CB -0.033 29.710 29.762 -0.032 0.000 1.403 83 H HN 0.361 nan 8.280 nan 0.000 0.533 84 R N -0.790 119.705 120.500 -0.008 0.000 2.115 84 R HA -0.052 4.288 4.340 -0.001 0.000 0.230 84 R C 2.487 178.811 176.300 0.039 0.000 1.111 84 R CA 0.969 57.087 56.100 0.030 0.000 0.976 84 R CB -0.362 29.937 30.300 -0.002 0.000 0.870 84 R HN 0.394 nan 8.270 nan 0.000 0.445 85 G N 1.280 110.087 108.800 0.012 0.000 2.402 85 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.216 85 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.216 85 G C 1.445 176.327 174.900 -0.031 0.000 1.162 85 G CA 0.176 45.291 45.100 0.025 0.000 0.777 85 G HN 0.124 nan 8.290 nan 0.000 0.539 86 R N 0.205 120.622 120.500 -0.139 0.000 2.081 86 R HA 0.066 4.406 4.340 -0.001 0.000 0.235 86 R C 2.621 178.787 176.300 -0.223 0.000 1.131 86 R CA 0.610 56.586 56.100 -0.207 0.000 0.960 86 R CB -1.039 29.035 30.300 -0.377 0.000 0.856 86 R HN 0.396 nan 8.270 nan 0.000 0.436 87 L N 0.474 121.499 121.223 -0.330 0.000 2.056 87 L HA -0.129 4.211 4.340 -0.001 0.000 0.207 87 L C 2.527 179.384 176.870 -0.023 0.000 1.078 87 L CA 0.983 55.588 54.840 -0.392 0.000 0.749 87 L CB -0.465 41.030 42.059 -0.941 0.000 0.901 87 L HN 0.110 nan 8.230 nan 0.000 0.433 88 L N -0.358 120.967 121.223 0.170 0.000 2.083 88 L HA -0.209 4.131 4.340 -0.001 0.000 0.209 88 L C 2.381 179.359 176.870 0.181 0.000 1.083 88 L CA 0.972 55.996 54.840 0.306 0.000 0.752 88 L CB -0.524 41.703 42.059 0.279 0.000 0.899 88 L HN 0.356 nan 8.230 nan 0.000 0.433 89 N N -0.058 118.700 118.700 0.096 0.000 2.188 89 N HA -0.190 4.549 4.740 -0.001 0.000 0.184 89 N C 1.943 177.494 175.510 0.067 0.000 1.018 89 N CA 0.945 54.036 53.050 0.069 0.000 0.858 89 N CB -0.176 38.329 38.487 0.029 0.000 0.989 89 N HN 0.140 nan 8.380 nan 0.000 0.426 90 R N 1.229 121.757 120.500 0.048 0.000 2.081 90 R HA -0.021 4.319 4.340 -0.001 0.000 0.235 90 R C 2.012 178.372 176.300 0.100 0.000 1.131 90 R CA 0.845 56.975 56.100 0.049 0.000 0.960 90 R CB -0.975 29.327 30.300 0.003 0.000 0.856 90 R HN 0.199 nan 8.270 nan 0.000 0.436 91 L N 0.212 121.535 121.223 0.167 0.000 2.083 91 L HA 0.068 4.407 4.340 -0.001 0.000 0.209 91 L C 2.044 178.993 176.870 0.131 0.000 1.083 91 L CA 2.172 57.124 54.840 0.186 0.000 0.752 91 L CB -0.984 41.238 42.059 0.272 0.000 0.899 91 L HN 0.253 nan 8.230 nan 0.000 0.433 92 A N -0.765 122.130 122.820 0.125 0.000 1.902 92 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 92 A C 1.983 179.621 177.584 0.089 0.000 1.181 92 A CA 1.789 53.889 52.037 0.105 0.000 0.623 92 A CB -0.806 18.256 19.000 0.103 0.000 0.818 92 A HN 0.516 nan 8.150 nan 0.000 0.443 93 D N 0.124 120.573 120.400 0.082 0.000 2.144 93 D HA -0.103 4.536 4.640 -0.001 0.000 0.199 93 D C 1.923 178.272 176.300 0.082 0.000 0.984 93 D CA 0.946 54.990 54.000 0.072 0.000 0.834 93 D CB -0.316 40.521 40.800 0.060 0.000 0.955 93 D HN 0.460 nan 8.370 nan 0.000 0.465 94 L N 0.251 121.529 121.223 0.090 0.000 2.093 94 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 94 L C 2.448 179.396 176.870 0.131 0.000 1.085 94 L CA 0.602 55.502 54.840 0.100 0.000 0.755 94 L CB -0.214 41.899 42.059 0.089 0.000 0.904 94 L HN 0.011 nan 8.230 nan 0.000 0.435 95 I N -0.200 120.445 120.570 0.125 0.000 2.394 95 I HA -0.257 3.912 4.170 -0.001 0.000 0.251 95 I C 2.569 178.758 176.117 0.122 0.000 1.136 95 I CA 1.111 62.497 61.300 0.143 0.000 1.425 95 I CB -0.095 37.975 38.000 0.116 0.000 1.079 95 I HN 0.320 nan 8.210 nan 0.000 0.425 96 E N 1.256 121.511 120.200 0.093 0.000 2.107 96 E HA -0.250 4.100 4.350 -0.001 0.000 0.191 96 E C 2.390 179.049 176.600 0.098 0.000 0.982 96 E CA 0.770 57.213 56.400 0.071 0.000 0.809 96 E CB 0.011 29.744 29.700 0.056 0.000 0.756 96 E HN 0.256 nan 8.360 nan 0.000 0.459 97 R N 0.366 120.932 120.500 0.110 0.000 2.091 97 R HA -0.136 4.204 4.340 -0.001 0.000 0.238 97 R C 0.316 176.707 176.300 0.153 0.000 1.136 97 R CA 1.820 57.990 56.100 0.118 0.000 0.959 97 R CB 0.013 30.376 30.300 0.105 0.000 0.856 97 R HN 0.127 nan 8.270 nan 0.000 0.437 98 D N -0.172 120.343 120.400 0.192 0.000 2.491 98 D HA 0.032 4.671 4.640 -0.001 0.000 0.228 98 D C 1.022 177.476 176.300 0.257 0.000 1.183 98 D CA -0.049 54.103 54.000 0.255 0.000 0.827 98 D CB 0.260 41.281 40.800 0.368 0.000 0.989 98 D HN 0.245 nan 8.370 nan 0.000 0.494 99 R N 0.383 121.000 120.500 0.196 0.000 2.080 99 R HA -0.134 4.205 4.340 -0.001 0.000 0.236 99 R C 1.435 177.891 176.300 0.260 0.000 1.137 99 R CA 1.634 57.819 56.100 0.142 0.000 0.943 99 R CB -0.088 30.225 30.300 0.022 0.000 0.846 99 R HN -0.008 nan 8.270 nan 0.000 0.431 100 T N 0.172 114.961 114.554 0.392 0.000 2.684 100 T HA -0.223 4.126 4.350 -0.001 0.000 0.267 100 T C 1.404 176.329 174.700 0.376 0.000 1.036 100 T CA 1.687 64.075 62.100 0.480 0.000 1.148 100 T CB -0.544 68.546 68.868 0.369 0.000 0.863 100 T HN 0.412 nan 8.240 nan 0.000 0.436 101 Y N 1.732 122.136 120.300 0.173 0.000 2.114 101 Y HA -0.051 4.498 4.550 -0.001 0.000 0.284 101 Y C 2.044 177.982 175.900 0.063 0.000 1.143 101 Y CA 1.057 59.204 58.100 0.077 0.000 1.135 101 Y CB -0.652 37.802 38.460 -0.010 0.000 0.980 101 Y HN 0.103 nan 8.280 nan 0.000 0.499 102 L N -0.113 121.051 121.223 -0.098 0.000 2.083 102 L HA -0.231 4.109 4.340 -0.001 0.000 0.209 102 L C 2.767 179.596 176.870 -0.067 0.000 1.083 102 L CA 1.204 55.948 54.840 -0.159 0.000 0.752 102 L CB -0.891 41.201 42.059 0.055 0.000 0.899 102 L HN 0.395 nan 8.230 nan 0.000 0.433 103 A N -0.209 122.663 122.820 0.087 0.000 1.898 103 A HA -0.150 4.170 4.320 -0.001 0.000 0.216 103 A C 2.513 180.256 177.584 0.266 0.000 1.181 103 A CA 1.649 53.780 52.037 0.157 0.000 0.620 103 A CB -0.670 18.466 19.000 0.228 0.000 0.819 103 A HN 0.399 nan 8.150 nan 0.000 0.442 104 A N -0.630 122.395 122.820 0.342 0.000 1.898 104 A HA -0.006 4.314 4.320 -0.001 0.000 0.216 104 A C 2.117 179.783 177.584 0.137 0.000 1.181 104 A CA 1.682 53.928 52.037 0.347 0.000 0.620 104 A CB -0.587 18.509 19.000 0.160 0.000 0.819 104 A HN 0.623 nan 8.150 nan 0.000 0.442 105 L N -0.157 120.978 121.223 -0.147 0.000 2.093 105 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 105 L C 2.219 179.026 176.870 -0.104 0.000 1.085 105 L CA 2.583 57.295 54.840 -0.214 0.000 0.755 105 L CB -0.565 41.200 42.059 -0.491 0.000 0.904 105 L HN 0.510 nan 8.230 nan 0.000 0.435 106 E N -1.082 119.069 120.200 -0.081 0.000 2.051 106 E HA -0.193 4.157 4.350 -0.001 0.000 0.192 106 E C 2.029 178.578 176.600 -0.084 0.000 0.991 106 E CA 2.028 58.390 56.400 -0.064 0.000 0.799 106 E CB -0.318 29.354 29.700 -0.047 0.000 0.748 106 E HN 0.466 nan 8.360 nan 0.000 0.449 107 T N 0.706 115.206 114.554 -0.091 0.000 2.746 107 T HA -0.137 4.213 4.350 -0.001 0.000 0.267 107 T C 1.706 176.278 174.700 -0.213 0.000 1.039 107 T CA 1.153 63.120 62.100 -0.222 0.000 1.142 107 T CB -0.370 68.241 68.868 -0.430 0.000 0.866 107 T HN 0.106 nan 8.240 nan 0.000 0.444 108 L N 1.324 122.506 121.223 -0.069 0.000 2.012 108 L HA -0.116 4.223 4.340 -0.001 0.000 0.210 108 L C 2.079 178.928 176.870 -0.035 0.000 1.073 108 L CA 1.920 56.778 54.840 0.029 0.000 0.748 108 L CB -0.467 41.654 42.059 0.103 0.000 0.891 108 L HN 0.107 nan 8.230 nan 0.000 0.431 109 D N -1.674 118.694 120.400 -0.052 0.000 2.213 109 D HA -0.147 4.493 4.640 -0.001 0.000 0.205 109 D C 1.928 178.188 176.300 -0.067 0.000 0.961 109 D CA 0.790 54.759 54.000 -0.052 0.000 0.853 109 D CB 0.007 40.783 40.800 -0.040 0.000 0.967 109 D HN 0.415 nan 8.370 nan 0.000 0.496 110 N N -0.739 117.909 118.700 -0.088 0.000 2.368 110 N HA -0.025 4.714 4.740 -0.001 0.000 0.178 110 N C 1.355 176.775 175.510 -0.150 0.000 1.021 110 N CA 1.697 54.686 53.050 -0.103 0.000 0.875 110 N CB 0.793 39.218 38.487 -0.102 0.000 1.020 110 N HN 0.263 nan 8.380 nan 0.000 0.433 111 G N 1.274 109.967 108.800 -0.177 0.000 2.231 111 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.206 111 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.206 111 G C -0.103 174.669 174.900 -0.213 0.000 0.996 111 G CA 0.299 45.274 45.100 -0.209 0.000 0.645 111 G HN 0.667 nan 8.290 nan 0.000 0.498 112 K N 1.041 121.312 120.400 -0.215 0.000 2.319 112 K HA 0.508 4.827 4.320 -0.001 0.000 0.265 112 K C -2.687 173.805 176.600 -0.180 0.000 1.000 112 K CA -1.387 54.775 56.287 -0.209 0.000 0.943 112 K CB 0.629 32.976 32.500 -0.255 0.000 0.950 112 K HN 0.045 nan 8.250 nan 0.000 0.485 113 P HA -0.130 nan 4.420 nan 0.000 0.264 113 P C -0.350 176.919 177.300 -0.051 0.000 1.183 113 P CA 0.051 63.110 63.100 -0.069 0.000 0.763 113 P CB 0.125 31.822 31.700 -0.005 0.000 0.807 114 Y N 4.617 124.819 120.300 -0.163 0.000 2.165 114 Y HA -0.238 4.312 4.550 -0.001 0.000 0.286 114 Y C 1.810 177.744 175.900 0.057 0.000 1.155 114 Y CA 1.713 59.769 58.100 -0.073 0.000 1.164 114 Y CB -0.874 37.593 38.460 0.012 0.000 0.978 114 Y HN 0.075 nan 8.280 nan 0.000 0.513 115 V N 0.481 120.356 119.914 -0.065 0.000 2.392 115 V HA -0.335 3.785 4.120 -0.001 0.000 0.249 115 V C 2.348 178.418 176.094 -0.040 0.000 1.059 115 V CA 1.809 64.054 62.300 -0.092 0.000 1.051 115 V CB -0.663 31.184 31.823 0.041 0.000 0.658 115 V HN 0.440 nan 8.190 nan 0.000 0.455 116 I N -0.221 120.350 120.570 0.002 0.000 2.286 116 I HA -0.113 4.057 4.170 -0.001 0.000 0.245 116 I C 2.573 178.706 176.117 0.027 0.000 1.104 116 I CA 1.349 62.687 61.300 0.064 0.000 1.397 116 I CB -1.407 36.647 38.000 0.089 0.000 1.072 116 I HN 0.266 nan 8.210 nan 0.000 0.417 117 S N 0.212 115.885 115.700 -0.045 0.000 2.370 117 S HA -0.235 4.235 4.470 -0.001 0.000 0.226 117 S C 2.023 176.590 174.600 -0.055 0.000 1.033 117 S CA 1.416 59.587 58.200 -0.049 0.000 1.011 117 S CB -0.478 62.690 63.200 -0.053 0.000 0.852 117 S HN 0.464 nan 8.310 nan 0.000 0.457 118 Y N 1.530 121.669 120.300 -0.269 0.000 2.176 118 Y HA 0.076 4.626 4.550 -0.001 0.000 0.291 118 Y C 1.907 177.745 175.900 -0.103 0.000 1.122 118 Y CA 1.293 59.247 58.100 -0.243 0.000 1.128 118 Y CB -0.199 37.968 38.460 -0.489 0.000 1.005 118 Y HN 0.104 nan 8.280 nan 0.000 0.509 119 L N -1.285 119.999 121.223 0.102 0.000 2.240 119 L HA -0.087 4.252 4.340 -0.001 0.000 0.211 119 L C 1.666 178.562 176.870 0.044 0.000 1.106 119 L CA 0.413 55.304 54.840 0.085 0.000 0.793 119 L CB -0.179 41.965 42.059 0.141 0.000 0.927 119 L HN 0.173 nan 8.230 nan 0.000 0.446 120 V N -1.032 118.922 119.914 0.067 0.000 2.868 120 V HA -0.052 4.067 4.120 -0.001 0.000 0.227 120 V C 1.645 177.786 176.094 0.077 0.000 1.136 120 V CA 0.892 63.257 62.300 0.109 0.000 1.206 120 V CB -0.262 31.703 31.823 0.236 0.000 0.997 120 V HN 0.180 nan 8.190 nan 0.000 0.505 121 D N 0.894 121.345 120.400 0.085 0.000 2.103 121 D HA -0.188 4.451 4.640 -0.001 0.000 0.190 121 D C 2.074 178.376 176.300 0.004 0.000 0.997 121 D CA 1.358 55.392 54.000 0.057 0.000 0.833 121 D CB -0.239 40.595 40.800 0.057 0.000 0.961 121 D HN 0.095 nan 8.370 nan 0.000 0.447 122 L N 0.592 121.790 121.223 -0.041 0.000 2.083 122 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 122 L C 1.964 178.797 176.870 -0.062 0.000 1.083 122 L CA 1.614 56.412 54.840 -0.071 0.000 0.752 122 L CB -1.041 40.920 42.059 -0.162 0.000 0.899 122 L HN 0.103 nan 8.230 nan 0.000 0.433 123 D N -0.473 119.885 120.400 -0.069 0.000 2.117 123 D HA -0.203 4.437 4.640 -0.001 0.000 0.198 123 D C 2.341 178.655 176.300 0.024 0.000 0.982 123 D CA 1.173 55.154 54.000 -0.033 0.000 0.828 123 D CB 0.115 40.900 40.800 -0.024 0.000 0.967 123 D HN 0.171 nan 8.370 nan 0.000 0.464 124 M N -0.502 119.123 119.600 0.041 0.000 2.229 124 M HA -0.093 4.386 4.480 -0.001 0.000 0.264 124 M C 2.096 178.467 176.300 0.118 0.000 1.063 124 M CA 0.540 55.891 55.300 0.085 0.000 1.114 124 M CB 0.108 32.752 32.600 0.074 0.000 1.387 124 M HN 0.007 nan 8.290 nan 0.000 0.420 125 V N 0.860 120.821 119.914 0.078 0.000 2.307 125 V HA -0.241 3.878 4.120 -0.001 0.000 0.245 125 V C 2.280 178.444 176.094 0.116 0.000 1.045 125 V CA 1.557 63.916 62.300 0.097 0.000 1.024 125 V CB -0.518 31.338 31.823 0.055 0.000 0.651 125 V HN 0.442 nan 8.190 nan 0.000 0.449 126 L N -0.489 120.782 121.223 0.081 0.000 2.017 126 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 126 L C 2.570 179.504 176.870 0.106 0.000 1.073 126 L CA 1.806 56.696 54.840 0.083 0.000 0.745 126 L CB -0.641 41.446 42.059 0.047 0.000 0.894 126 L HN 0.279 nan 8.230 nan 0.000 0.432 127 K N -0.905 119.556 120.400 0.102 0.000 2.148 127 K HA -0.182 4.138 4.320 -0.001 0.000 0.204 127 K C 2.289 178.981 176.600 0.154 0.000 1.050 127 K CA 1.429 57.781 56.287 0.108 0.000 0.942 127 K CB -0.394 32.154 32.500 0.079 0.000 0.724 127 K HN 0.400 nan 8.250 nan 0.000 0.446 128 C N 1.116 120.531 119.300 0.192 0.000 2.453 128 C HA -0.028 4.431 4.460 -0.001 0.000 0.277 128 C C 2.398 177.597 174.990 0.348 0.000 1.262 128 C CA 0.520 59.702 59.018 0.273 0.000 1.718 128 C CB -0.874 27.091 27.740 0.374 0.000 2.031 128 C HN 0.385 nan 8.230 nan 0.000 0.480 129 L N 0.398 121.787 121.223 0.277 0.000 2.056 129 L HA -0.088 4.252 4.340 -0.001 0.000 0.207 129 L C 3.013 180.022 176.870 0.231 0.000 1.078 129 L CA 1.662 56.658 54.840 0.261 0.000 0.749 129 L CB -0.706 41.467 42.059 0.190 0.000 0.901 129 L HN 0.329 nan 8.230 nan 0.000 0.433 130 R N -1.284 119.325 120.500 0.180 0.000 2.115 130 R HA -0.178 4.161 4.340 -0.001 0.000 0.230 130 R C 2.242 178.611 176.300 0.115 0.000 1.111 130 R CA 1.298 57.475 56.100 0.129 0.000 0.976 130 R CB -0.382 29.976 30.300 0.098 0.000 0.870 130 R HN 0.297 nan 8.270 nan 0.000 0.445 131 Y N 0.146 120.454 120.300 0.013 0.000 2.133 131 Y HA -0.237 4.313 4.550 -0.001 0.000 0.287 131 Y C 1.667 177.524 175.900 -0.072 0.000 1.134 131 Y CA 1.413 59.459 58.100 -0.091 0.000 1.133 131 Y CB -0.436 37.924 38.460 -0.167 0.000 0.987 131 Y HN -0.031 nan 8.280 nan 0.000 0.502 132 Y N -0.090 120.318 120.300 0.181 0.000 2.352 132 Y HA -0.158 4.392 4.550 -0.001 0.000 0.292 132 Y C 2.599 178.549 175.900 0.083 0.000 1.136 132 Y CA 0.700 58.888 58.100 0.145 0.000 1.227 132 Y CB -0.484 38.102 38.460 0.210 0.000 0.991 132 Y HN 0.305 nan 8.280 nan 0.000 0.545 133 A N 0.154 123.086 122.820 0.185 0.000 1.908 133 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 133 A C 2.504 180.110 177.584 0.037 0.000 1.181 133 A CA 1.886 53.996 52.037 0.122 0.000 0.627 133 A CB -1.438 17.617 19.000 0.091 0.000 0.818 133 A HN 0.471 nan 8.150 nan 0.000 0.445 134 G N -2.611 106.139 108.800 -0.084 0.000 2.484 134 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.218 134 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.218 134 G C 1.334 176.104 174.900 -0.217 0.000 1.130 134 G CA 0.632 45.613 45.100 -0.198 0.000 0.784 134 G HN 0.682 nan 8.290 nan 0.000 0.543 135 W N 0.627 121.826 121.300 -0.167 0.000 2.584 135 W HA 0.256 4.916 4.660 -0.001 0.000 0.264 135 W C 2.763 179.265 176.519 -0.029 0.000 1.264 135 W CA 0.243 57.518 57.345 -0.117 0.000 1.306 135 W CB 0.288 29.692 29.460 -0.093 0.000 1.110 135 W HN 0.251 nan 8.180 nan 0.000 0.606 136 A N 1.202 124.163 122.820 0.234 0.000 1.954 136 A HA -0.313 4.007 4.320 -0.001 0.000 0.222 136 A C 1.289 178.946 177.584 0.121 0.000 1.199 136 A CA 2.522 54.653 52.037 0.157 0.000 0.657 136 A CB -0.899 18.165 19.000 0.107 0.000 0.823 136 A HN 0.385 nan 8.150 nan 0.000 0.463 137 D N -2.518 117.939 120.400 0.094 0.000 2.670 137 D HA 0.247 4.887 4.640 -0.001 0.000 0.255 137 D C 0.451 176.774 176.300 0.039 0.000 1.286 137 D CA -0.079 53.960 54.000 0.064 0.000 0.830 137 D CB 0.055 40.880 40.800 0.042 0.000 1.065 137 D HN 0.492 nan 8.370 nan 0.000 0.486 138 K N -0.724 119.717 120.400 0.068 0.000 2.517 138 K HA 0.051 4.370 4.320 -0.001 0.000 0.210 138 K C -0.406 176.088 176.600 -0.177 0.000 1.166 138 K CA -0.457 55.770 56.287 -0.100 0.000 1.030 138 K CB 0.806 33.316 32.500 0.017 0.000 0.974 138 K HN -0.035 nan 8.250 nan 0.000 0.585 139 Y N 3.202 123.452 120.300 -0.084 0.000 2.667 139 Y HA 0.128 4.677 4.550 -0.001 0.000 0.340 139 Y C -0.409 175.434 175.900 -0.096 0.000 1.303 139 Y CA -1.236 56.821 58.100 -0.071 0.000 1.769 139 Y CB -1.133 37.318 38.460 -0.016 0.000 1.804 139 Y HN 0.084 nan 8.280 nan 0.000 0.451 140 H N 0.350 119.383 119.070 -0.060 0.000 2.852 140 H HA 0.319 4.875 4.556 -0.001 0.000 0.362 140 H C 1.023 175.969 175.328 -0.637 0.000 1.122 140 H CA 0.477 56.389 56.048 -0.226 0.000 1.419 140 H CB 0.670 30.360 29.762 -0.121 0.000 1.401 140 H HN 0.661 nan 8.280 nan 0.000 0.609 141 G N 0.602 109.115 108.800 -0.478 0.000 2.574 141 G HA2 0.482 4.442 3.960 -0.001 0.000 0.248 141 G HA3 0.482 4.442 3.960 -0.001 0.000 0.248 141 G C -0.727 174.005 174.900 -0.279 0.000 1.422 141 G CA -0.860 43.800 45.100 -0.732 0.000 1.051 141 G HN 0.552 nan 8.290 nan 0.000 0.560 142 K N -0.889 119.438 120.400 -0.121 0.000 2.482 142 K HA 0.534 4.854 4.320 -0.001 0.000 0.257 142 K C -1.146 175.490 176.600 0.060 0.000 0.969 142 K CA -0.715 55.556 56.287 -0.027 0.000 0.842 142 K CB 2.244 34.736 32.500 -0.013 0.000 1.359 142 K HN 0.606 nan 8.250 nan 0.000 0.441 143 T N -0.804 113.800 114.554 0.082 0.000 2.770 143 T HA 0.602 4.951 4.350 -0.001 0.000 0.283 143 T C -0.071 174.707 174.700 0.130 0.000 0.988 143 T CA -0.731 61.475 62.100 0.176 0.000 0.957 143 T CB 0.042 69.052 68.868 0.237 0.000 0.930 143 T HN 0.379 nan 8.240 nan 0.000 0.443 144 I N 5.033 125.679 120.570 0.127 0.000 2.378 144 I HA 0.351 4.520 4.170 -0.001 0.000 0.291 144 I C -1.869 174.316 176.117 0.112 0.000 0.992 144 I CA -2.831 58.522 61.300 0.088 0.000 1.154 144 I CB 2.377 40.402 38.000 0.041 0.000 1.315 144 I HN 0.470 nan 8.210 nan 0.000 0.448 145 P HA 0.155 nan 4.420 nan 0.000 0.226 145 P C 0.022 177.373 177.300 0.084 0.000 1.783 145 P CA 0.113 63.268 63.100 0.091 0.000 0.980 145 P CB 0.138 31.876 31.700 0.064 0.000 1.967 146 I N 1.028 121.658 120.570 0.101 0.000 2.938 146 I HA 0.038 4.208 4.170 -0.001 0.000 0.285 146 I C 0.334 176.528 176.117 0.129 0.000 1.182 146 I CA -0.096 61.258 61.300 0.091 0.000 1.388 146 I CB 0.645 38.689 38.000 0.073 0.000 1.390 146 I HN 0.022 nan 8.210 nan 0.000 0.600 147 D N 4.411 124.880 120.400 0.115 0.000 2.382 147 D HA 0.429 5.069 4.640 -0.001 0.000 0.240 147 D C 0.352 176.802 176.300 0.250 0.000 1.146 147 D CA 1.136 55.216 54.000 0.133 0.000 0.897 147 D CB 0.803 41.661 40.800 0.097 0.000 1.197 147 D HN 0.932 nan 8.370 nan 0.000 0.432 148 G N 1.479 110.388 108.800 0.182 0.000 2.796 148 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.571 148 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.571 148 G C -0.673 174.202 174.900 -0.040 0.000 1.370 148 G CA -0.712 44.475 45.100 0.146 0.000 0.856 148 G HN 0.526 nan 8.290 nan 0.000 0.538 149 D N 0.963 121.106 120.400 -0.428 0.000 2.671 149 D HA 0.435 5.074 4.640 -0.001 0.000 0.228 149 D C -0.019 175.792 176.300 -0.815 0.000 1.102 149 D CA 1.046 54.747 54.000 -0.498 0.000 1.044 149 D CB -0.539 40.016 40.800 -0.408 0.000 1.113 149 D HN 0.271 nan 8.370 nan 0.000 0.480 150 F N 0.326 120.320 119.950 0.073 0.000 2.599 150 F HA 0.391 4.917 4.527 -0.001 0.000 0.311 150 F C -0.355 175.560 175.800 0.191 0.000 1.076 150 F CA -1.476 56.585 58.000 0.101 0.000 0.937 150 F CB 1.693 40.725 39.000 0.053 0.000 1.282 150 F HN -0.150 nan 8.300 nan 0.000 0.460 151 F N 2.216 122.309 119.950 0.238 0.000 2.403 151 F HA 0.644 5.171 4.527 -0.001 0.000 0.355 151 F C -0.645 175.270 175.800 0.192 0.000 1.119 151 F CA -1.162 56.947 58.000 0.183 0.000 1.007 151 F CB 1.028 40.126 39.000 0.163 0.000 1.194 151 F HN 0.267 nan 8.300 nan 0.000 0.443 152 S N 6.852 122.559 115.700 0.011 0.000 2.482 152 S HA 0.812 5.282 4.470 -0.001 0.000 0.303 152 S C -1.368 173.113 174.600 -0.198 0.000 1.091 152 S CA -0.259 57.812 58.200 -0.216 0.000 1.057 152 S CB 0.664 63.813 63.200 -0.085 0.000 1.031 152 S HN 0.689 nan 8.310 nan 0.000 0.485 153 Y N 0.119 120.191 120.300 -0.379 0.000 2.670 153 Y HA 0.776 5.325 4.550 -0.001 0.000 0.334 153 Y C -0.582 175.219 175.900 -0.164 0.000 1.185 153 Y CA -1.066 56.882 58.100 -0.253 0.000 1.053 153 Y CB 0.819 39.086 38.460 -0.322 0.000 1.298 153 Y HN 0.545 nan 8.280 nan 0.000 0.459 154 T N -0.373 114.242 114.554 0.101 0.000 2.887 154 T HA 0.708 5.057 4.350 -0.001 0.000 0.288 154 T C -0.881 173.913 174.700 0.156 0.000 1.021 154 T CA -1.063 61.069 62.100 0.054 0.000 1.000 154 T CB 1.864 70.775 68.868 0.072 0.000 1.034 154 T HN 0.813 nan 8.240 nan 0.000 0.467 155 R N 0.975 121.564 120.500 0.149 0.000 2.393 155 R HA 0.332 4.671 4.340 -0.001 0.000 0.310 155 R C -0.395 176.053 176.300 0.247 0.000 0.968 155 R CA -0.712 55.490 56.100 0.169 0.000 0.867 155 R CB 1.086 31.476 30.300 0.149 0.000 1.124 155 R HN 0.745 nan 8.270 nan 0.000 0.450 156 H N 2.442 121.540 119.070 0.047 0.000 2.741 156 H HA 0.123 4.679 4.556 -0.001 0.000 0.261 156 H C -0.338 175.049 175.328 0.097 0.000 1.365 156 H CA -0.368 55.712 56.048 0.054 0.000 1.266 156 H CB 0.767 30.536 29.762 0.011 0.000 1.485 156 H HN 0.406 nan 8.280 nan 0.000 0.529 157 E N 3.183 123.495 120.200 0.188 0.000 2.314 157 E HA 0.187 4.536 4.350 -0.001 0.000 0.262 157 E C -2.417 174.298 176.600 0.192 0.000 1.093 157 E CA -2.127 54.374 56.400 0.168 0.000 0.908 157 E CB 0.698 30.485 29.700 0.145 0.000 1.091 157 E HN 0.355 nan 8.360 nan 0.000 0.425 158 P HA -0.058 nan 4.420 nan 0.000 0.275 158 P C 0.549 177.985 177.300 0.226 0.000 1.227 158 P CA -0.007 63.262 63.100 0.281 0.000 0.781 158 P CB 0.812 32.789 31.700 0.461 0.000 0.906 159 V N 2.590 122.574 119.914 0.117 0.000 2.594 159 V HA 0.009 4.129 4.120 -0.001 0.000 0.253 159 V C 1.031 177.069 176.094 -0.093 0.000 1.069 159 V CA 2.751 65.068 62.300 0.028 0.000 1.082 159 V CB -1.208 30.610 31.823 -0.009 0.000 0.680 159 V HN 0.965 nan 8.190 nan 0.000 0.469 160 G N -1.208 107.418 108.800 -0.291 0.000 2.301 160 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.194 160 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.194 160 G C -0.498 174.041 174.900 -0.603 0.000 1.266 160 G CA -0.300 44.269 45.100 -0.885 0.000 1.210 160 G HN 0.578 nan 8.290 nan 0.000 0.524 161 V N 1.053 120.697 119.914 -0.451 0.000 2.421 161 V HA 0.333 4.452 4.120 -0.001 0.000 0.271 161 V C 0.602 176.627 176.094 -0.114 0.000 1.031 161 V CA 0.070 62.234 62.300 -0.227 0.000 1.032 161 V CB -0.064 31.662 31.823 -0.161 0.000 1.009 161 V HN 0.820 nan 8.190 nan 0.000 0.477 162 C N 5.077 124.347 119.300 -0.049 0.000 2.255 162 C HA 0.653 5.112 4.460 -0.001 0.000 0.326 162 C C 1.097 176.107 174.990 0.032 0.000 1.258 162 C CA -0.977 58.061 59.018 0.033 0.000 1.676 162 C CB 0.147 27.983 27.740 0.160 0.000 2.314 162 C HN 0.989 nan 8.230 nan 0.000 0.509 163 G N 3.096 111.918 108.800 0.035 0.000 2.339 163 G HA2 0.493 4.453 3.960 -0.001 0.000 0.287 163 G HA3 0.493 4.453 3.960 -0.001 0.000 0.287 163 G C -0.686 174.265 174.900 0.084 0.000 1.163 163 G CA -0.143 44.983 45.100 0.042 0.000 0.872 163 G HN 0.821 nan 8.290 nan 0.000 0.464 164 Q N 1.951 121.800 119.800 0.081 0.000 2.339 164 Q HA 0.389 4.728 4.340 -0.001 0.000 0.268 164 Q C -0.694 175.362 176.000 0.092 0.000 1.027 164 Q CA -0.366 55.497 55.803 0.099 0.000 0.759 164 Q CB 2.447 31.233 28.738 0.081 0.000 1.244 164 Q HN 0.533 nan 8.270 nan 0.000 0.464 165 I N 4.962 125.609 120.570 0.128 0.000 2.330 165 I HA 0.447 4.616 4.170 -0.001 0.000 0.289 165 I C -0.028 176.080 176.117 -0.014 0.000 1.001 165 I CA -0.743 60.636 61.300 0.132 0.000 1.193 165 I CB 0.753 38.947 38.000 0.324 0.000 1.345 165 I HN 0.519 nan 8.210 nan 0.000 0.461 166 I N 5.358 125.905 120.570 -0.038 0.000 2.846 166 I HA 0.759 4.929 4.170 -0.001 0.000 0.307 166 I C -2.673 173.367 176.117 -0.127 0.000 1.053 166 I CA -2.261 58.965 61.300 -0.123 0.000 1.050 166 I CB 2.195 40.153 38.000 -0.069 0.000 1.239 166 I HN 0.228 nan 8.210 nan 0.000 0.439 167 P HA 0.170 nan 4.420 nan 0.000 0.297 167 P C -0.180 177.020 177.300 -0.167 0.000 1.307 167 P CA -0.210 62.724 63.100 -0.277 0.000 0.773 167 P CB 0.728 32.140 31.700 -0.480 0.000 1.265 168 W N 0.291 121.580 121.300 -0.019 0.000 3.177 168 W HA 0.050 4.710 4.660 -0.001 0.000 0.309 168 W C 0.968 177.424 176.519 -0.105 0.000 1.224 168 W CA 0.187 57.506 57.345 -0.044 0.000 1.718 168 W CB -1.510 27.933 29.460 -0.029 0.000 1.078 168 W HN 0.213 nan 8.180 nan 0.000 0.618 169 N N 2.262 120.760 118.700 -0.338 0.000 2.188 169 N HA -0.192 4.547 4.740 -0.001 0.000 0.184 169 N C -0.121 174.971 175.510 -0.696 0.000 1.018 169 N CA 0.987 53.800 53.050 -0.395 0.000 0.858 169 N CB -1.162 36.991 38.487 -0.556 0.000 0.989 169 N HN 0.097 nan 8.380 nan 0.000 0.426 170 F N -0.341 119.474 119.950 -0.224 0.000 2.710 170 F HA 0.440 4.966 4.527 -0.001 0.000 0.345 170 F C -1.820 173.849 175.800 -0.219 0.000 1.362 170 F CA -2.139 55.708 58.000 -0.254 0.000 1.175 170 F CB 2.132 40.891 39.000 -0.402 0.000 1.561 170 F HN -0.167 nan 8.300 nan 0.000 0.593 171 P HA -0.214 nan 4.420 nan 0.000 0.213 171 P C 1.904 179.189 177.300 -0.025 0.000 1.176 171 P CA 1.738 64.829 63.100 -0.014 0.000 0.919 171 P CB 0.387 32.090 31.700 0.005 0.000 0.791 172 L N -2.026 119.186 121.223 -0.019 0.000 2.056 172 L HA -0.146 4.194 4.340 -0.001 0.000 0.207 172 L C 2.429 179.267 176.870 -0.054 0.000 1.078 172 L CA 0.882 55.713 54.840 -0.014 0.000 0.749 172 L CB -0.938 41.125 42.059 0.006 0.000 0.901 172 L HN -0.012 nan 8.230 nan 0.000 0.433 173 L N -0.757 120.400 121.223 -0.110 0.000 2.093 173 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 173 L C 2.454 179.039 176.870 -0.474 0.000 1.085 173 L CA 1.770 56.438 54.840 -0.286 0.000 0.755 173 L CB -0.405 41.401 42.059 -0.421 0.000 0.904 173 L HN 0.174 nan 8.230 nan 0.000 0.435 174 M N -1.031 118.347 119.600 -0.371 0.000 2.175 174 M HA -0.213 4.266 4.480 -0.001 0.000 0.264 174 M C 2.242 178.492 176.300 -0.084 0.000 1.063 174 M CA 1.579 56.704 55.300 -0.292 0.000 1.119 174 M CB -1.149 31.333 32.600 -0.196 0.000 1.377 174 M HN 0.502 nan 8.290 nan 0.000 0.415 175 Q N -0.028 119.738 119.800 -0.057 0.000 2.124 175 Q HA -0.122 4.217 4.340 -0.001 0.000 0.202 175 Q C 1.952 177.967 176.000 0.025 0.000 0.977 175 Q CA 1.841 57.637 55.803 -0.011 0.000 0.850 175 Q CB 0.020 28.750 28.738 -0.013 0.000 0.901 175 Q HN 0.463 nan 8.270 nan 0.000 0.429 176 A N 0.039 122.889 122.820 0.049 0.000 1.898 176 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 176 A C 1.508 179.261 177.584 0.282 0.000 1.181 176 A CA 1.089 53.213 52.037 0.144 0.000 0.620 176 A CB -1.075 18.027 19.000 0.169 0.000 0.819 176 A HN 0.622 nan 8.150 nan 0.000 0.442 177 W N 0.520 121.837 121.300 0.027 0.000 2.392 177 W HA -0.044 4.616 4.660 -0.001 0.000 0.279 177 W C 2.046 178.557 176.519 -0.013 0.000 1.225 177 W CA 1.237 58.611 57.345 0.048 0.000 1.233 177 W CB -0.197 29.285 29.460 0.038 0.000 1.122 177 W HN 0.246 nan 8.180 nan 0.000 0.561 178 K N -0.392 120.117 120.400 0.181 0.000 2.099 178 K HA 0.096 4.416 4.320 -0.001 0.000 0.203 178 K C 2.073 178.596 176.600 -0.128 0.000 1.047 178 K CA 0.631 56.944 56.287 0.043 0.000 0.963 178 K CB -0.962 31.575 32.500 0.063 0.000 0.759 178 K HN 0.191 nan 8.250 nan 0.000 0.451 179 L N 0.496 121.669 121.223 -0.082 0.000 2.056 179 L HA -0.101 4.239 4.340 -0.001 0.000 0.207 179 L C 2.484 179.260 176.870 -0.156 0.000 1.078 179 L CA 1.441 56.200 54.840 -0.136 0.000 0.749 179 L CB -1.070 40.922 42.059 -0.111 0.000 0.901 179 L HN 0.278 nan 8.230 nan 0.000 0.433 180 G N 1.198 109.943 108.800 -0.091 0.000 2.545 180 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.217 180 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.217 180 G C -0.482 174.169 174.900 -0.416 0.000 1.218 180 G CA 1.070 46.132 45.100 -0.064 0.000 0.787 180 G HN 0.320 nan 8.290 nan 0.000 0.571 181 P HA -0.013 nan 4.420 nan 0.000 0.217 181 P C 2.059 178.945 177.300 -0.691 0.000 1.151 181 P CA 1.991 64.460 63.100 -1.051 0.000 0.828 181 P CB -0.145 30.940 31.700 -1.024 0.000 0.788 182 A N 0.628 122.918 122.820 -0.884 0.000 1.858 182 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 182 A C 2.477 179.973 177.584 -0.147 0.000 1.190 182 A CA 1.594 53.206 52.037 -0.708 0.000 0.617 182 A CB -1.624 16.992 19.000 -0.640 0.000 0.827 182 A HN 0.124 nan 8.150 nan 0.000 0.443 183 L N -0.920 120.282 121.223 -0.036 0.000 2.156 183 L HA -0.113 4.227 4.340 -0.001 0.000 0.208 183 L C 3.048 180.102 176.870 0.307 0.000 1.095 183 L CA 0.817 55.830 54.840 0.288 0.000 0.770 183 L CB -0.601 41.614 42.059 0.261 0.000 0.914 183 L HN 0.436 nan 8.230 nan 0.000 0.439 184 A N 0.338 123.241 122.820 0.139 0.000 1.940 184 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 184 A C 2.189 179.836 177.584 0.104 0.000 1.176 184 A CA 2.204 54.330 52.037 0.149 0.000 0.631 184 A CB -0.858 18.243 19.000 0.169 0.000 0.814 184 A HN 0.504 nan 8.150 nan 0.000 0.446 185 T N -4.182 110.411 114.554 0.064 0.000 3.188 185 T HA 0.431 4.780 4.350 -0.001 0.000 0.250 185 T C 1.159 175.925 174.700 0.109 0.000 1.077 185 T CA 0.879 63.029 62.100 0.084 0.000 0.967 185 T CB -0.092 68.822 68.868 0.076 0.000 1.006 185 T HN 1.694 nan 8.240 nan 0.000 0.552 186 G N 1.583 110.444 108.800 0.101 0.000 2.147 186 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.244 186 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.244 186 G C -0.028 175.129 174.900 0.430 0.000 1.005 186 G CA -0.256 44.856 45.100 0.019 0.000 0.713 186 G HN 0.591 nan 8.290 nan 0.000 0.515 187 N N -0.684 118.301 118.700 0.476 0.000 2.413 187 N HA 0.610 5.349 4.740 -0.001 0.000 0.266 187 N C 0.479 176.280 175.510 0.484 0.000 1.238 187 N CA 0.455 53.751 53.050 0.410 0.000 0.972 187 N CB 1.843 40.448 38.487 0.196 0.000 1.210 187 N HN 0.672 nan 8.380 nan 0.000 0.547 188 V N -1.884 118.150 119.914 0.201 0.000 2.715 188 V HA 0.715 4.834 4.120 -0.001 0.000 0.310 188 V C -0.111 175.970 176.094 -0.023 0.000 1.054 188 V CA -0.760 61.578 62.300 0.063 0.000 0.928 188 V CB 1.618 33.486 31.823 0.076 0.000 1.007 188 V HN 0.236 nan 8.190 nan 0.000 0.437 189 V N 3.047 122.923 119.914 -0.063 0.000 2.769 189 V HA 0.625 4.745 4.120 -0.001 0.000 0.312 189 V C -0.483 175.582 176.094 -0.049 0.000 1.061 189 V CA -0.563 61.705 62.300 -0.053 0.000 0.931 189 V CB 2.194 33.975 31.823 -0.070 0.000 1.010 189 V HN 0.785 nan 8.190 nan 0.000 0.433 190 V N 5.044 124.940 119.914 -0.031 0.000 2.340 190 V HA 0.420 4.539 4.120 -0.001 0.000 0.277 190 V C -0.234 175.863 176.094 0.005 0.000 1.017 190 V CA -0.194 62.092 62.300 -0.024 0.000 0.820 190 V CB 1.313 33.106 31.823 -0.049 0.000 1.028 190 V HN 0.895 nan 8.190 nan 0.000 0.436 191 M N 4.894 124.503 119.600 0.014 0.000 2.238 191 M HA 0.553 5.033 4.480 -0.001 0.000 0.350 191 M C -0.464 175.864 176.300 0.047 0.000 1.138 191 M CA -0.434 54.883 55.300 0.029 0.000 1.040 191 M CB 1.080 33.687 32.600 0.011 0.000 1.639 191 M HN 0.335 nan 8.290 nan 0.000 0.451 192 K N 5.856 126.291 120.400 0.058 0.000 2.404 192 K HA 0.330 4.650 4.320 -0.001 0.000 0.257 192 K C -1.092 175.546 176.600 0.063 0.000 1.026 192 K CA -0.358 55.969 56.287 0.066 0.000 0.951 192 K CB 0.547 33.093 32.500 0.077 0.000 1.203 192 K HN 0.700 nan 8.250 nan 0.000 0.446 193 V N 0.941 120.894 119.914 0.066 0.000 3.083 193 V HA 0.587 4.707 4.120 -0.001 0.000 0.306 193 V C 0.515 176.653 176.094 0.073 0.000 1.077 193 V CA -0.972 61.367 62.300 0.066 0.000 1.073 193 V CB 0.895 32.764 31.823 0.077 0.000 1.081 193 V HN 0.673 nan 8.190 nan 0.000 0.474 194 A N 2.572 125.447 122.820 0.091 0.000 2.477 194 A HA 0.304 4.624 4.320 -0.001 0.000 0.246 194 A C 1.319 178.970 177.584 0.112 0.000 1.078 194 A CA 0.249 52.364 52.037 0.131 0.000 0.770 194 A CB 0.073 19.215 19.000 0.237 0.000 1.011 194 A HN 1.133 nan 8.150 nan 0.000 0.494 195 E N 2.179 122.397 120.200 0.029 0.000 2.265 195 E HA -0.267 4.082 4.350 -0.001 0.000 0.196 195 E C 1.006 177.694 176.600 0.146 0.000 0.996 195 E CA 1.703 58.065 56.400 -0.063 0.000 0.832 195 E CB -0.255 29.156 29.700 -0.482 0.000 0.756 195 E HN 0.820 nan 8.360 nan 0.000 0.491 196 Q N 0.718 120.584 119.800 0.109 0.000 2.245 196 Q HA 0.009 4.348 4.340 -0.001 0.000 0.201 196 Q C 0.585 176.623 176.000 0.063 0.000 0.955 196 Q CA 1.646 57.473 55.803 0.040 0.000 0.870 196 Q CB 0.437 29.087 28.738 -0.146 0.000 0.945 196 Q HN 0.458 nan 8.270 nan 0.000 0.461 197 T N -3.495 111.130 114.554 0.119 0.000 3.428 197 T HA 0.298 4.647 4.350 -0.001 0.000 0.301 197 T C -2.539 172.216 174.700 0.092 0.000 1.323 197 T CA -1.306 60.847 62.100 0.090 0.000 1.647 197 T CB 1.296 70.226 68.868 0.103 0.000 0.871 197 T HN -0.061 nan 8.240 nan 0.000 0.627 198 P HA 0.257 nan 4.420 nan 0.000 0.252 198 P C 1.610 178.953 177.300 0.072 0.000 1.211 198 P CA -0.205 62.955 63.100 0.101 0.000 0.824 198 P CB 0.438 32.228 31.700 0.149 0.000 1.077 199 L N 0.714 121.959 121.223 0.036 0.000 1.970 199 L HA -0.173 4.166 4.340 -0.001 0.000 0.212 199 L C 2.815 179.729 176.870 0.074 0.000 1.071 199 L CA 2.879 57.736 54.840 0.028 0.000 0.751 199 L CB -2.235 39.812 42.059 -0.020 0.000 0.889 199 L HN 0.098 nan 8.230 nan 0.000 0.432 200 T N -1.992 112.592 114.554 0.050 0.000 2.759 200 T HA -0.182 4.168 4.350 -0.001 0.000 0.269 200 T C 1.914 176.693 174.700 0.131 0.000 1.042 200 T CA 1.125 63.273 62.100 0.080 0.000 1.140 200 T CB -0.494 68.389 68.868 0.025 0.000 0.864 200 T HN 0.355 nan 8.240 nan 0.000 0.455 201 A N 1.457 124.333 122.820 0.092 0.000 1.930 201 A HA 0.225 4.544 4.320 -0.001 0.000 0.217 201 A C 2.447 180.085 177.584 0.090 0.000 1.175 201 A CA 1.118 53.198 52.037 0.072 0.000 0.627 201 A CB -0.801 18.231 19.000 0.053 0.000 0.815 201 A HN 0.550 nan 8.150 nan 0.000 0.443 202 L N -2.277 119.038 121.223 0.152 0.000 2.093 202 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 202 L C 2.558 179.596 176.870 0.280 0.000 1.085 202 L CA 1.560 56.553 54.840 0.255 0.000 0.755 202 L CB -0.586 41.616 42.059 0.239 0.000 0.904 202 L HN 0.577 nan 8.230 nan 0.000 0.435 203 Y N 0.206 120.591 120.300 0.141 0.000 2.242 203 Y HA -0.197 4.353 4.550 -0.001 0.000 0.291 203 Y C 2.367 178.344 175.900 0.129 0.000 1.137 203 Y CA 1.306 59.514 58.100 0.180 0.000 1.181 203 Y CB -0.162 38.456 38.460 0.263 0.000 0.989 203 Y HN -0.167 nan 8.280 nan 0.000 0.527 204 V N 0.396 120.369 119.914 0.098 0.000 2.490 204 V HA -0.336 3.783 4.120 -0.001 0.000 0.250 204 V C 2.638 178.607 176.094 -0.208 0.000 1.061 204 V CA 1.616 63.897 62.300 -0.031 0.000 1.064 204 V CB -1.504 30.329 31.823 0.015 0.000 0.670 204 V HN 0.576 nan 8.190 nan 0.000 0.461 205 A N 0.223 122.859 122.820 -0.307 0.000 1.940 205 A HA -0.275 4.045 4.320 -0.001 0.000 0.219 205 A C 2.073 179.236 177.584 -0.701 0.000 1.176 205 A CA 2.248 53.798 52.037 -0.812 0.000 0.631 205 A CB -0.718 17.476 19.000 -1.343 0.000 0.814 205 A HN 0.564 nan 8.150 nan 0.000 0.446 206 N N -0.046 118.488 118.700 -0.277 0.000 2.166 206 N HA -0.059 4.681 4.740 -0.001 0.000 0.186 206 N C 1.535 176.955 175.510 -0.150 0.000 1.019 206 N CA 1.235 54.235 53.050 -0.083 0.000 0.856 206 N CB -0.378 38.028 38.487 -0.134 0.000 0.993 206 N HN 0.531 nan 8.380 nan 0.000 0.426 207 L N -0.134 120.946 121.223 -0.237 0.000 2.217 207 L HA -0.004 4.336 4.340 -0.001 0.000 0.211 207 L C 1.933 178.794 176.870 -0.014 0.000 1.107 207 L CA 0.548 55.319 54.840 -0.116 0.000 0.783 207 L CB -0.254 41.753 42.059 -0.086 0.000 0.919 207 L HN 0.155 nan 8.230 nan 0.000 0.442 208 I N 0.155 120.681 120.570 -0.073 0.000 2.252 208 I HA -0.291 3.879 4.170 -0.001 0.000 0.245 208 I C 2.732 178.951 176.117 0.171 0.000 1.102 208 I CA 1.299 62.595 61.300 -0.006 0.000 1.385 208 I CB -0.242 37.610 38.000 -0.245 0.000 1.064 208 I HN 0.260 nan 8.210 nan 0.000 0.414 209 K N 1.269 121.746 120.400 0.128 0.000 2.025 209 K HA -0.250 4.069 4.320 -0.001 0.000 0.207 209 K C 2.098 178.775 176.600 0.128 0.000 1.049 209 K CA 1.688 58.083 56.287 0.180 0.000 0.933 209 K CB -0.101 32.529 32.500 0.217 0.000 0.714 209 K HN 0.242 nan 8.250 nan 0.000 0.438 210 E N -0.114 120.139 120.200 0.088 0.000 2.153 210 E HA -0.174 4.176 4.350 -0.001 0.000 0.194 210 E C 1.642 178.290 176.600 0.080 0.000 0.988 210 E CA 0.948 57.386 56.400 0.064 0.000 0.811 210 E CB -0.091 29.627 29.700 0.028 0.000 0.746 210 E HN 0.457 nan 8.360 nan 0.000 0.466 211 A N -0.007 122.889 122.820 0.127 0.000 2.067 211 A HA 0.055 4.374 4.320 -0.001 0.000 0.219 211 A C 1.859 179.471 177.584 0.047 0.000 1.158 211 A CA 1.417 53.529 52.037 0.126 0.000 0.661 211 A CB -0.391 18.767 19.000 0.264 0.000 0.801 211 A HN 0.518 nan 8.150 nan 0.000 0.452 212 G N -2.919 105.932 108.800 0.086 0.000 2.154 212 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.186 212 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.186 212 G C -0.055 174.850 174.900 0.008 0.000 1.000 212 G CA -0.235 44.883 45.100 0.030 0.000 0.664 212 G HN 0.263 nan 8.290 nan 0.000 0.513 213 F N 1.765 121.732 119.950 0.028 0.000 2.538 213 F HA 0.424 4.950 4.527 -0.001 0.000 0.371 213 F C -1.182 174.585 175.800 -0.054 0.000 1.087 213 F CA -1.517 56.460 58.000 -0.038 0.000 1.250 213 F CB 0.568 39.484 39.000 -0.140 0.000 1.110 213 F HN -0.103 nan 8.300 nan 0.000 0.570 214 P HA 0.040 nan 4.420 nan 0.000 0.268 214 P C -2.527 174.765 177.300 -0.014 0.000 1.208 214 P CA -0.808 62.326 63.100 0.056 0.000 0.777 214 P CB 0.045 31.811 31.700 0.111 0.000 0.875 215 P HA 0.034 nan 4.420 nan 0.000 0.265 215 P C 0.997 178.242 177.300 -0.092 0.000 1.193 215 P CA 1.349 64.401 63.100 -0.080 0.000 0.765 215 P CB 0.098 31.756 31.700 -0.070 0.000 0.823 216 G N 1.284 110.002 108.800 -0.135 0.000 2.225 216 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.254 216 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.254 216 G C 1.037 175.857 174.900 -0.135 0.000 0.988 216 G CA 0.279 45.309 45.100 -0.116 0.000 0.625 216 G HN 0.399 nan 8.290 nan 0.000 0.527 217 V N -0.121 119.662 119.914 -0.218 0.000 2.343 217 V HA 0.064 4.183 4.120 -0.001 0.000 0.247 217 V C 1.464 177.387 176.094 -0.286 0.000 1.051 217 V CA 2.013 64.068 62.300 -0.408 0.000 1.036 217 V CB 0.019 31.372 31.823 -0.785 0.000 0.654 217 V HN 0.409 nan 8.190 nan 0.000 0.451 218 V N 1.623 121.420 119.914 -0.194 0.000 2.483 218 V HA 0.482 4.601 4.120 -0.001 0.000 0.297 218 V C -0.830 175.290 176.094 0.043 0.000 1.027 218 V CA -0.762 61.466 62.300 -0.119 0.000 0.855 218 V CB 1.738 33.439 31.823 -0.204 0.000 0.995 218 V HN 0.432 nan 8.190 nan 0.000 0.424 219 N N 5.309 124.025 118.700 0.027 0.000 2.296 219 N HA 0.654 5.393 4.740 -0.001 0.000 0.294 219 N C -1.220 174.344 175.510 0.090 0.000 1.033 219 N CA -0.401 52.697 53.050 0.080 0.000 0.839 219 N CB 3.070 41.542 38.487 -0.025 0.000 1.395 219 N HN 0.494 nan 8.380 nan 0.000 0.479 220 I N 1.453 122.120 120.570 0.163 0.000 2.436 220 I HA 0.323 4.492 4.170 -0.001 0.000 0.289 220 I C -0.485 175.720 176.117 0.145 0.000 1.010 220 I CA -0.968 60.404 61.300 0.119 0.000 1.098 220 I CB 2.165 40.220 38.000 0.091 0.000 1.266 220 I HN 0.044 nan 8.210 nan 0.000 0.434 221 V N 8.037 128.017 119.914 0.110 0.000 2.284 221 V HA 0.307 4.427 4.120 -0.001 0.000 0.274 221 V C -2.090 174.076 176.094 0.120 0.000 1.023 221 V CA -1.554 60.816 62.300 0.116 0.000 0.808 221 V CB 1.160 33.028 31.823 0.076 0.000 1.035 221 V HN 0.560 nan 8.190 nan 0.000 0.445 222 P HA 0.578 nan 4.420 nan 0.000 0.274 222 P C 0.162 177.538 177.300 0.127 0.000 1.231 222 P CA 0.441 63.651 63.100 0.183 0.000 0.790 222 P CB 2.046 33.907 31.700 0.267 0.000 0.951 223 G N 0.582 109.325 108.800 -0.094 0.000 2.343 223 G HA2 0.280 4.240 3.960 -0.001 0.000 0.289 223 G HA3 0.280 4.240 3.960 -0.001 0.000 0.289 223 G C -1.463 173.055 174.900 -0.636 0.000 1.295 223 G CA -0.893 43.936 45.100 -0.452 0.000 0.869 223 G HN 0.258 nan 8.290 nan 0.000 0.522 224 F N 0.324 120.118 119.950 -0.260 0.000 2.368 224 F HA 0.521 5.047 4.527 -0.001 0.000 0.308 224 F C 1.930 177.694 175.800 -0.060 0.000 1.198 224 F CA 0.716 58.607 58.000 -0.182 0.000 1.130 224 F CB 1.033 39.927 39.000 -0.178 0.000 1.300 224 F HN 0.644 nan 8.300 nan 0.000 0.537 225 G N 0.136 109.056 108.800 0.201 0.000 2.424 225 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.214 225 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.214 225 G C -1.039 173.920 174.900 0.098 0.000 1.202 225 G CA 0.452 45.634 45.100 0.137 0.000 0.793 225 G HN 0.458 nan 8.290 nan 0.000 0.534 226 P HA -0.019 nan 4.420 nan 0.000 0.225 226 P C 1.824 179.152 177.300 0.047 0.000 1.148 226 P CA 1.932 65.056 63.100 0.040 0.000 0.779 226 P CB 0.036 31.743 31.700 0.012 0.000 0.780 227 T N -3.392 111.210 114.554 0.079 0.000 3.401 227 T HA 0.229 4.579 4.350 -0.001 0.000 0.225 227 T C 1.961 176.707 174.700 0.076 0.000 0.961 227 T CA 0.634 62.782 62.100 0.080 0.000 1.429 227 T CB -1.185 67.754 68.868 0.118 0.000 1.213 227 T HN -0.103 nan 8.240 nan 0.000 0.440 228 A N 1.710 124.579 122.820 0.081 0.000 1.877 228 A HA 0.258 4.578 4.320 -0.001 0.000 0.216 228 A C 2.644 180.270 177.584 0.070 0.000 1.186 228 A CA 1.887 53.965 52.037 0.068 0.000 0.620 228 A CB -1.729 17.302 19.000 0.052 0.000 0.822 228 A HN 0.689 nan 8.150 nan 0.000 0.443 229 G N -0.502 108.344 108.800 0.077 0.000 2.421 229 G HA2 0.005 3.964 3.960 -0.001 0.000 0.216 229 G HA3 0.005 3.964 3.960 -0.001 0.000 0.216 229 G C 1.741 176.679 174.900 0.063 0.000 1.171 229 G CA 1.446 46.598 45.100 0.086 0.000 0.775 229 G HN 0.822 nan 8.290 nan 0.000 0.543 230 A N 0.972 123.820 122.820 0.047 0.000 1.969 230 A HA 0.335 4.655 4.320 -0.001 0.000 0.218 230 A C 2.744 180.351 177.584 0.038 0.000 1.169 230 A CA 2.021 54.073 52.037 0.025 0.000 0.635 230 A CB -0.576 18.433 19.000 0.014 0.000 0.810 230 A HN 0.748 nan 8.150 nan 0.000 0.445 231 A N -0.118 122.737 122.820 0.057 0.000 1.969 231 A HA -0.015 4.305 4.320 -0.001 0.000 0.218 231 A C 2.071 179.727 177.584 0.120 0.000 1.169 231 A CA 1.393 53.478 52.037 0.080 0.000 0.635 231 A CB -0.477 18.577 19.000 0.090 0.000 0.810 231 A HN 0.502 nan 8.150 nan 0.000 0.445 232 I N -0.522 120.104 120.570 0.093 0.000 2.233 232 I HA -0.190 3.980 4.170 -0.001 0.000 0.243 232 I C 2.926 179.094 176.117 0.085 0.000 1.093 232 I CA 0.942 62.294 61.300 0.087 0.000 1.380 232 I CB -0.336 37.700 38.000 0.061 0.000 1.067 232 I HN 0.330 nan 8.210 nan 0.000 0.413 233 A N -0.123 122.731 122.820 0.056 0.000 1.972 233 A HA -0.147 4.172 4.320 -0.001 0.000 0.219 233 A C 2.303 179.903 177.584 0.027 0.000 1.169 233 A CA 1.982 54.036 52.037 0.028 0.000 0.635 233 A CB -0.420 18.573 19.000 -0.012 0.000 0.810 233 A HN 0.398 nan 8.150 nan 0.000 0.446 234 S N -1.218 114.504 115.700 0.037 0.000 2.540 234 S HA 0.094 4.564 4.470 -0.001 0.000 0.218 234 S C 0.570 175.183 174.600 0.021 0.000 0.977 234 S CA -0.578 57.631 58.200 0.015 0.000 0.918 234 S CB -0.215 62.982 63.200 -0.006 0.000 0.806 234 S HN 0.677 nan 8.310 nan 0.000 0.496 235 H N 2.760 121.827 119.070 -0.005 0.000 3.001 235 H HA 0.049 4.605 4.556 -0.001 0.000 0.334 235 H C 0.825 176.150 175.328 -0.006 0.000 1.034 235 H CA 0.671 56.717 56.048 -0.003 0.000 1.420 235 H CB 0.632 30.394 29.762 -0.001 0.000 1.405 235 H HN 0.139 nan 8.280 nan 0.000 0.593 236 E N 3.001 123.117 120.200 -0.140 0.000 2.418 236 E HA -0.114 4.235 4.350 -0.001 0.000 0.197 236 E C 0.642 177.318 176.600 0.127 0.000 1.026 236 E CA 0.727 57.119 56.400 -0.013 0.000 0.862 236 E CB 0.221 29.869 29.700 -0.087 0.000 0.799 236 E HN 0.592 nan 8.360 nan 0.000 0.518 237 D N -0.484 120.154 120.400 0.396 0.000 2.479 237 D HA 0.053 4.692 4.640 -0.001 0.000 0.218 237 D C -0.706 175.656 176.300 0.103 0.000 1.177 237 D CA -0.030 54.112 54.000 0.236 0.000 0.830 237 D CB 0.674 41.611 40.800 0.229 0.000 1.014 237 D HN -0.221 nan 8.370 nan 0.000 0.503 238 V N 1.574 121.555 119.914 0.111 0.000 2.407 238 V HA 0.174 4.293 4.120 -0.001 0.000 0.278 238 V C 0.812 176.908 176.094 0.004 0.000 1.037 238 V CA -0.407 61.897 62.300 0.006 0.000 0.900 238 V CB 1.777 33.610 31.823 0.016 0.000 0.983 238 V HN 0.070 nan 8.190 nan 0.000 0.459 239 D N 2.708 123.086 120.400 -0.037 0.000 2.271 239 D HA 0.055 4.695 4.640 -0.001 0.000 0.206 239 D C 0.767 177.043 176.300 -0.039 0.000 0.967 239 D CA 0.846 54.821 54.000 -0.041 0.000 0.867 239 D CB 0.634 41.388 40.800 -0.078 0.000 0.960 239 D HN 0.365 nan 8.370 nan 0.000 0.509 240 K N 0.766 121.143 120.400 -0.038 0.000 2.542 240 K HA 0.349 4.669 4.320 -0.001 0.000 0.259 240 K C -1.996 174.598 176.600 -0.011 0.000 0.932 240 K CA -0.612 55.649 56.287 -0.043 0.000 0.820 240 K CB 2.998 35.449 32.500 -0.082 0.000 1.345 240 K HN -0.147 nan 8.250 nan 0.000 0.432 241 V N 2.286 122.196 119.914 -0.007 0.000 2.540 241 V HA 0.816 4.936 4.120 -0.001 0.000 0.302 241 V C -1.282 174.845 176.094 0.055 0.000 1.035 241 V CA -0.420 61.904 62.300 0.040 0.000 0.873 241 V CB 1.536 33.387 31.823 0.046 0.000 0.992 241 V HN 0.866 nan 8.190 nan 0.000 0.428 242 A N 6.645 129.532 122.820 0.112 0.000 2.304 242 A HA 0.843 5.163 4.320 -0.001 0.000 0.314 242 A C -1.286 176.426 177.584 0.212 0.000 1.187 242 A CA -0.444 51.677 52.037 0.140 0.000 0.810 242 A CB 0.913 20.023 19.000 0.183 0.000 1.183 242 A HN 1.136 nan 8.150 nan 0.000 0.487 243 F N 1.992 121.976 119.950 0.055 0.000 2.551 243 F HA 0.738 5.265 4.527 -0.001 0.000 0.316 243 F C -0.390 175.449 175.800 0.066 0.000 1.089 243 F CA -0.055 57.977 58.000 0.053 0.000 0.915 243 F CB 2.375 41.395 39.000 0.034 0.000 1.186 243 F HN 0.413 nan 8.300 nan 0.000 0.456 244 T N 4.270 118.248 114.554 -0.959 0.000 2.881 244 T HA 0.774 5.123 4.350 -0.001 0.000 0.291 244 T C -0.224 173.796 174.700 -1.133 0.000 0.990 244 T CA -0.233 61.447 62.100 -0.701 0.000 0.976 244 T CB 1.192 69.900 68.868 -0.266 0.000 0.970 244 T HN 1.140 nan 8.240 nan 0.000 0.438 245 G N 1.966 110.340 108.800 -0.711 0.000 2.452 245 G HA2 0.438 4.398 3.960 -0.001 0.000 0.224 245 G HA3 0.438 4.398 3.960 -0.001 0.000 0.224 245 G C -0.619 174.275 174.900 -0.011 0.000 1.208 245 G CA -0.220 44.651 45.100 -0.382 0.000 0.946 245 G HN 0.960 nan 8.290 nan 0.000 0.481 246 S N -0.350 115.432 115.700 0.137 0.000 2.592 246 S HA 0.456 4.926 4.470 -0.001 0.000 0.271 246 S C 1.272 175.998 174.600 0.209 0.000 1.326 246 S CA 0.995 59.259 58.200 0.108 0.000 1.024 246 S CB 1.389 64.636 63.200 0.079 0.000 0.921 246 S HN 0.775 nan 8.310 nan 0.000 0.527 247 T N 1.176 115.830 114.554 0.166 0.000 2.788 247 T HA -0.131 4.218 4.350 -0.001 0.000 0.268 247 T C 1.634 176.391 174.700 0.096 0.000 1.044 247 T CA 1.704 63.905 62.100 0.169 0.000 1.139 247 T CB -0.480 68.522 68.868 0.224 0.000 0.867 247 T HN 0.861 nan 8.240 nan 0.000 0.454 248 E N 0.547 120.796 120.200 0.081 0.000 2.038 248 E HA -0.151 4.198 4.350 -0.001 0.000 0.195 248 E C 1.941 178.532 176.600 -0.015 0.000 1.000 248 E CA 1.126 57.546 56.400 0.034 0.000 0.803 248 E CB -0.053 29.672 29.700 0.041 0.000 0.750 248 E HN 0.293 nan 8.360 nan 0.000 0.448 249 I N 0.998 121.561 120.570 -0.012 0.000 2.546 249 I HA -0.085 4.085 4.170 -0.001 0.000 0.255 249 I C 2.481 178.349 176.117 -0.415 0.000 1.163 249 I CA 1.179 62.383 61.300 -0.159 0.000 1.457 249 I CB -1.625 36.340 38.000 -0.057 0.000 1.092 249 I HN 0.236 nan 8.210 nan 0.000 0.434 250 G N 1.090 109.747 108.800 -0.239 0.000 2.418 250 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.217 250 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.217 250 G C 1.904 176.700 174.900 -0.174 0.000 1.158 250 G CA 0.337 45.301 45.100 -0.226 0.000 0.771 250 G HN 0.317 nan 8.290 nan 0.000 0.545 251 R N -0.261 120.177 120.500 -0.103 0.000 2.075 251 R HA 0.007 4.346 4.340 -0.001 0.000 0.232 251 R C 2.649 178.887 176.300 -0.105 0.000 1.126 251 R CA 1.052 57.106 56.100 -0.078 0.000 0.963 251 R CB -0.534 29.738 30.300 -0.046 0.000 0.858 251 R HN 0.287 nan 8.270 nan 0.000 0.435 252 V N 1.507 121.340 119.914 -0.135 0.000 2.343 252 V HA -0.247 3.873 4.120 -0.001 0.000 0.247 252 V C 2.288 178.289 176.094 -0.155 0.000 1.051 252 V CA 1.467 63.689 62.300 -0.130 0.000 1.036 252 V CB -0.425 31.320 31.823 -0.131 0.000 0.654 252 V HN 0.252 nan 8.190 nan 0.000 0.451 253 I N -0.023 120.399 120.570 -0.246 0.000 2.142 253 I HA -0.274 3.896 4.170 -0.001 0.000 0.240 253 I C 2.561 178.604 176.117 -0.124 0.000 1.078 253 I CA 1.964 63.130 61.300 -0.224 0.000 1.343 253 I CB -1.238 36.546 38.000 -0.361 0.000 1.046 253 I HN 0.429 nan 8.210 nan 0.000 0.405 254 Q N 0.812 120.546 119.800 -0.110 0.000 2.096 254 Q HA -0.155 4.185 4.340 -0.001 0.000 0.204 254 Q C 2.291 178.257 176.000 -0.057 0.000 0.982 254 Q CA 1.851 57.614 55.803 -0.067 0.000 0.850 254 Q CB 0.055 28.760 28.738 -0.053 0.000 0.901 254 Q HN 0.307 nan 8.270 nan 0.000 0.422 255 V N 0.717 120.594 119.914 -0.062 0.000 2.358 255 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 255 V C 2.316 178.383 176.094 -0.045 0.000 1.047 255 V CA 1.691 63.961 62.300 -0.049 0.000 1.035 255 V CB -1.058 30.736 31.823 -0.049 0.000 0.658 255 V HN 0.555 nan 8.190 nan 0.000 0.452 256 A N 0.033 122.821 122.820 -0.053 0.000 1.902 256 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 256 A C 2.425 179.990 177.584 -0.031 0.000 1.181 256 A CA 2.120 54.132 52.037 -0.042 0.000 0.623 256 A CB -0.758 18.214 19.000 -0.046 0.000 0.818 256 A HN 0.567 nan 8.150 nan 0.000 0.443 257 A N -0.588 122.212 122.820 -0.034 0.000 1.902 257 A HA 0.135 4.455 4.320 -0.001 0.000 0.217 257 A C 2.389 179.959 177.584 -0.024 0.000 1.181 257 A CA 1.894 53.916 52.037 -0.024 0.000 0.623 257 A CB -1.297 17.687 19.000 -0.027 0.000 0.818 257 A HN 0.728 nan 8.150 nan 0.000 0.443 258 G N -1.174 107.609 108.800 -0.028 0.000 2.421 258 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.217 258 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.217 258 G C 1.618 176.503 174.900 -0.024 0.000 1.143 258 G CA 1.145 46.229 45.100 -0.026 0.000 0.784 258 G HN 0.486 nan 8.290 nan 0.000 0.541 259 S N 0.169 115.853 115.700 -0.026 0.000 2.527 259 S HA 0.053 4.523 4.470 -0.001 0.000 0.222 259 S C 2.189 176.775 174.600 -0.024 0.000 0.985 259 S CA 0.871 59.056 58.200 -0.025 0.000 0.921 259 S CB 0.066 63.249 63.200 -0.027 0.000 0.772 259 S HN 0.627 nan 8.310 nan 0.000 0.529 260 S N 3.051 118.738 115.700 -0.022 0.000 3.325 260 S HA 0.125 4.595 4.470 -0.001 0.000 0.174 260 S C 0.867 175.457 174.600 -0.017 0.000 0.791 260 S CA 0.012 58.199 58.200 -0.021 0.000 1.138 260 S CB -0.491 62.699 63.200 -0.018 0.000 0.696 260 S HN 0.441 nan 8.310 nan 0.000 0.698 261 N N 1.402 120.097 118.700 -0.009 0.000 2.238 261 N HA 0.267 5.006 4.740 -0.001 0.000 0.222 261 N C 0.195 175.701 175.510 -0.006 0.000 1.133 261 N CA -0.130 52.918 53.050 -0.004 0.000 0.854 261 N CB -0.466 38.026 38.487 0.008 0.000 1.041 261 N HN 0.656 nan 8.380 nan 0.000 0.510 262 L N -0.422 120.794 121.223 -0.012 0.000 3.843 262 L HA -0.294 4.046 4.340 -0.001 0.000 0.411 262 L C -0.043 176.817 176.870 -0.017 0.000 1.205 262 L CA 0.617 55.448 54.840 -0.016 0.000 0.945 262 L CB -1.637 40.413 42.059 -0.016 0.000 1.929 262 L HN 0.465 nan 8.230 nan 0.000 0.934 263 K N 0.046 120.439 120.400 -0.013 0.000 2.469 263 K HA 0.360 4.679 4.320 -0.001 0.000 0.274 263 K C 0.350 176.933 176.600 -0.028 0.000 0.983 263 K CA -0.525 55.752 56.287 -0.016 0.000 0.974 263 K CB 0.432 32.929 32.500 -0.006 0.000 0.913 263 K HN 0.010 nan 8.250 nan 0.000 0.493 264 R N 1.129 121.604 120.500 -0.041 0.000 2.543 264 R HA 0.216 4.555 4.340 -0.001 0.000 0.277 264 R C -0.568 175.697 176.300 -0.059 0.000 1.074 264 R CA -0.325 55.741 56.100 -0.057 0.000 1.076 264 R CB 0.868 31.121 30.300 -0.079 0.000 0.993 264 R HN 0.459 nan 8.270 nan 0.000 0.459 265 V N 1.527 121.409 119.914 -0.054 0.000 2.735 265 V HA 0.646 4.765 4.120 -0.001 0.000 0.310 265 V C -0.423 175.649 176.094 -0.038 0.000 1.061 265 V CA -0.827 61.451 62.300 -0.037 0.000 0.913 265 V CB 2.238 34.048 31.823 -0.022 0.000 1.005 265 V HN 0.988 nan 8.190 nan 0.000 0.428 266 T N 2.195 116.741 114.554 -0.013 0.000 2.916 266 T HA 0.846 5.195 4.350 -0.001 0.000 0.298 266 T C -1.117 173.631 174.700 0.080 0.000 1.031 266 T CA -0.679 61.422 62.100 0.003 0.000 0.993 266 T CB 1.586 70.431 68.868 -0.039 0.000 1.045 266 T HN 0.413 nan 8.240 nan 0.000 0.454 267 L N 1.693 122.974 121.223 0.096 0.000 2.401 267 L HA 0.657 4.997 4.340 -0.001 0.000 0.266 267 L C -0.488 176.469 176.870 0.145 0.000 0.991 267 L CA -0.966 53.980 54.840 0.176 0.000 0.818 267 L CB 2.351 44.521 42.059 0.185 0.000 1.321 267 L HN 0.626 nan 8.230 nan 0.000 0.413 268 E N 4.383 124.678 120.200 0.158 0.000 2.331 268 E HA 0.497 4.846 4.350 -0.001 0.000 0.243 268 E C -0.853 175.816 176.600 0.116 0.000 0.925 268 E CA -0.200 56.286 56.400 0.142 0.000 0.760 268 E CB 2.112 31.925 29.700 0.190 0.000 1.254 268 E HN 0.467 nan 8.360 nan 0.000 0.419 269 L N 0.033 121.337 121.223 0.135 0.000 2.693 269 L HA 0.662 5.001 4.340 -0.001 0.000 0.253 269 L C 1.319 178.238 176.870 0.082 0.000 1.155 269 L CA -1.014 53.901 54.840 0.125 0.000 1.026 269 L CB 0.220 42.387 42.059 0.180 0.000 1.817 269 L HN 0.392 nan 8.230 nan 0.000 0.556 270 G N -1.733 107.078 108.800 0.019 0.000 2.509 270 G HA2 0.610 4.569 3.960 -0.001 0.000 0.269 270 G HA3 0.610 4.569 3.960 -0.001 0.000 0.269 270 G C -0.528 174.214 174.900 -0.263 0.000 1.416 270 G CA 0.104 45.140 45.100 -0.105 0.000 1.052 270 G HN 0.858 nan 8.290 nan 0.000 0.542 271 G N -2.076 106.399 108.800 -0.541 0.000 2.489 271 G HA2 0.477 4.437 3.960 -0.001 0.000 0.305 271 G HA3 0.477 4.437 3.960 -0.001 0.000 0.305 271 G C -1.469 173.101 174.900 -0.550 0.000 1.311 271 G CA -0.402 44.309 45.100 -0.649 0.000 0.813 271 G HN 0.625 nan 8.290 nan 0.000 0.480 272 K N 0.538 120.849 120.400 -0.149 0.000 3.350 272 K HA 0.442 4.762 4.320 -0.001 0.000 0.167 272 K C -0.132 176.541 176.600 0.121 0.000 1.058 272 K CA -0.302 56.002 56.287 0.029 0.000 0.783 272 K CB 0.195 32.802 32.500 0.179 0.000 0.872 272 K HN 0.464 nan 8.250 nan 0.000 0.561 273 S N 3.646 119.428 115.700 0.137 0.000 2.544 273 S HA 0.115 4.585 4.470 -0.001 0.000 0.290 273 S C -2.303 172.441 174.600 0.240 0.000 1.276 273 S CA -0.451 57.875 58.200 0.210 0.000 1.075 273 S CB 0.230 63.620 63.200 0.316 0.000 0.849 273 S HN 0.370 nan 8.310 nan 0.000 0.494 274 P HA 0.256 nan 4.420 nan 0.000 0.292 274 P C -0.985 176.524 177.300 0.349 0.000 1.287 274 P CA -0.706 62.593 63.100 0.331 0.000 0.800 274 P CB 0.679 32.588 31.700 0.349 0.000 0.945 275 N N 3.972 122.872 118.700 0.333 0.000 2.564 275 N HA 0.280 5.020 4.740 -0.001 0.000 0.248 275 N C -0.827 174.862 175.510 0.298 0.000 0.986 275 N CA -0.662 52.596 53.050 0.347 0.000 0.921 275 N CB -0.096 38.503 38.487 0.187 0.000 1.136 275 N HN 0.268 nan 8.380 nan 0.000 0.509 276 I N 3.974 124.726 120.570 0.303 0.000 2.325 276 I HA 0.279 4.449 4.170 -0.001 0.000 0.291 276 I C -0.028 176.267 176.117 0.297 0.000 1.019 276 I CA -0.577 60.858 61.300 0.225 0.000 1.302 276 I CB 0.823 38.843 38.000 0.034 0.000 1.401 276 I HN 0.289 nan 8.210 nan 0.000 0.485 277 I N 7.137 127.867 120.570 0.267 0.000 2.330 277 I HA 0.310 4.480 4.170 -0.001 0.000 0.286 277 I C 0.161 176.462 176.117 0.306 0.000 1.025 277 I CA -0.581 60.850 61.300 0.217 0.000 1.197 277 I CB 0.794 38.716 38.000 -0.131 0.000 1.358 277 I HN 0.477 nan 8.210 nan 0.000 0.467 278 M N 3.709 123.498 119.600 0.314 0.000 2.228 278 M HA 0.133 4.613 4.480 -0.001 0.000 0.326 278 M C 1.683 178.078 176.300 0.158 0.000 1.122 278 M CA -0.012 55.449 55.300 0.269 0.000 1.161 278 M CB 0.676 33.411 32.600 0.226 0.000 1.437 278 M HN 0.666 nan 8.290 nan 0.000 0.465 279 S N 0.324 116.073 115.700 0.081 0.000 2.469 279 S HA -0.151 4.319 4.470 -0.001 0.000 0.238 279 S C 0.792 175.443 174.600 0.085 0.000 0.998 279 S CA 1.321 59.554 58.200 0.055 0.000 0.957 279 S CB -0.526 62.677 63.200 0.006 0.000 0.764 279 S HN 0.746 nan 8.310 nan 0.000 0.514 280 D N 1.461 121.921 120.400 0.101 0.000 2.340 280 D HA 0.370 5.010 4.640 -0.001 0.000 0.217 280 D C 0.588 176.971 176.300 0.139 0.000 1.081 280 D CA 0.103 54.164 54.000 0.101 0.000 0.842 280 D CB -0.273 40.575 40.800 0.080 0.000 0.934 280 D HN 0.502 nan 8.370 nan 0.000 0.511 281 A N 0.520 123.452 122.820 0.186 0.000 2.366 281 A HA 0.232 4.552 4.320 -0.001 0.000 0.249 281 A C 0.073 177.805 177.584 0.248 0.000 1.084 281 A CA -0.376 51.818 52.037 0.261 0.000 0.794 281 A CB 0.251 19.460 19.000 0.348 0.000 1.034 281 A HN 0.118 nan 8.150 nan 0.000 0.491 282 D N 1.457 122.039 120.400 0.302 0.000 2.338 282 D HA 0.165 4.804 4.640 -0.001 0.000 0.255 282 D C 0.977 177.452 176.300 0.292 0.000 1.237 282 D CA -0.245 53.916 54.000 0.268 0.000 0.883 282 D CB 0.515 41.489 40.800 0.290 0.000 1.087 282 D HN 0.407 nan 8.370 nan 0.000 0.485 283 M N 3.809 123.534 119.600 0.210 0.000 2.082 283 M HA -0.193 4.287 4.480 -0.001 0.000 0.258 283 M C 1.039 177.420 176.300 0.134 0.000 1.071 283 M CA 1.859 57.266 55.300 0.179 0.000 1.103 283 M CB -0.463 32.210 32.600 0.122 0.000 1.307 283 M HN 0.382 nan 8.290 nan 0.000 0.409 284 D N -0.830 119.648 120.400 0.130 0.000 2.116 284 D HA -0.247 4.392 4.640 -0.001 0.000 0.193 284 D C 1.797 178.198 176.300 0.169 0.000 0.998 284 D CA 1.643 55.708 54.000 0.107 0.000 0.836 284 D CB -0.706 40.165 40.800 0.119 0.000 0.951 284 D HN 0.658 nan 8.370 nan 0.000 0.449 285 W N 1.487 122.827 121.300 0.066 0.000 2.355 285 W HA -0.180 4.479 4.660 -0.001 0.000 0.309 285 W C 2.143 178.728 176.519 0.109 0.000 1.206 285 W CA 1.539 58.951 57.345 0.112 0.000 1.284 285 W CB -0.110 29.454 29.460 0.175 0.000 1.145 285 W HN -0.004 nan 8.180 nan 0.000 0.502 286 A N 0.357 123.252 122.820 0.125 0.000 1.902 286 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 286 A C 2.043 179.507 177.584 -0.201 0.000 1.181 286 A CA 2.223 54.145 52.037 -0.193 0.000 0.623 286 A CB -1.178 17.897 19.000 0.124 0.000 0.818 286 A HN 0.150 nan 8.150 nan 0.000 0.443 287 V N -0.062 119.755 119.914 -0.162 0.000 2.295 287 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 287 V C 2.636 178.579 176.094 -0.252 0.000 1.049 287 V CA 2.464 64.522 62.300 -0.404 0.000 1.024 287 V CB -0.694 30.855 31.823 -0.458 0.000 0.648 287 V HN 0.707 nan 8.190 nan 0.000 0.447 288 E N -0.136 119.939 120.200 -0.209 0.000 2.077 288 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 288 E C 2.279 178.775 176.600 -0.173 0.000 0.989 288 E CA 1.322 57.623 56.400 -0.165 0.000 0.800 288 E CB -0.246 29.362 29.700 -0.154 0.000 0.746 288 E HN 0.493 nan 8.360 nan 0.000 0.452 289 Q N -0.351 119.210 119.800 -0.398 0.000 2.119 289 Q HA -0.037 4.303 4.340 -0.001 0.000 0.201 289 Q C 2.128 178.021 176.000 -0.177 0.000 0.972 289 Q CA 1.432 57.020 55.803 -0.358 0.000 0.847 289 Q CB -0.414 28.006 28.738 -0.530 0.000 0.903 289 Q HN 0.391 nan 8.270 nan 0.000 0.433 290 A N -0.018 122.669 122.820 -0.223 0.000 1.969 290 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 290 A C 1.887 179.457 177.584 -0.022 0.000 1.169 290 A CA 1.783 53.745 52.037 -0.125 0.000 0.635 290 A CB -0.673 18.383 19.000 0.095 0.000 0.810 290 A HN 0.458 nan 8.150 nan 0.000 0.445 291 H N -1.599 117.465 119.070 -0.010 0.000 2.326 291 H HA -0.123 4.433 4.556 -0.001 0.000 0.301 291 H C 1.694 177.160 175.328 0.229 0.000 1.081 291 H CA 2.149 58.296 56.048 0.165 0.000 1.334 291 H CB -0.396 29.411 29.762 0.076 0.000 1.385 291 H HN 0.453 nan 8.280 nan 0.000 0.504 292 F N 0.803 120.776 119.950 0.039 0.000 2.102 292 F HA -0.143 4.384 4.527 -0.001 0.000 0.298 292 F C 2.539 178.298 175.800 -0.068 0.000 1.105 292 F CA 1.500 59.503 58.000 0.005 0.000 1.239 292 F CB -0.720 38.248 39.000 -0.053 0.000 0.991 292 F HN 0.288 nan 8.300 nan 0.000 0.474 293 A N 0.483 123.205 122.820 -0.163 0.000 1.986 293 A HA -0.195 4.125 4.320 -0.001 0.000 0.220 293 A C 2.196 179.512 177.584 -0.447 0.000 1.171 293 A CA 1.946 53.653 52.037 -0.550 0.000 0.640 293 A CB -0.917 17.407 19.000 -1.127 0.000 0.811 293 A HN 0.551 nan 8.150 nan 0.000 0.451 294 L N -2.330 118.661 121.223 -0.387 0.000 2.262 294 L HA 0.225 4.565 4.340 -0.001 0.000 0.197 294 L C 1.949 178.521 176.870 -0.496 0.000 1.073 294 L CA 1.410 55.974 54.840 -0.460 0.000 0.800 294 L CB -0.846 40.839 42.059 -0.624 0.000 0.987 294 L HN 0.404 nan 8.230 nan 0.000 0.470 295 F N -0.315 119.441 119.950 -0.325 0.000 2.748 295 F HA -0.055 4.471 4.527 -0.001 0.000 0.299 295 F C 1.146 176.807 175.800 -0.232 0.000 1.154 295 F CA -0.123 57.695 58.000 -0.304 0.000 1.446 295 F CB -0.469 38.253 39.000 -0.462 0.000 1.112 295 F HN -0.063 nan 8.300 nan 0.000 0.584 296 F N 2.186 121.940 119.950 -0.325 0.000 2.623 296 F HA -0.049 4.478 4.527 -0.001 0.000 0.383 296 F C 1.193 176.859 175.800 -0.224 0.000 1.077 296 F CA -0.123 57.645 58.000 -0.388 0.000 1.268 296 F CB 0.112 38.644 39.000 -0.780 0.000 1.053 296 F HN 0.117 nan 8.300 nan 0.000 0.571 297 N N 3.655 121.801 118.700 -0.923 0.000 2.738 297 N HA -0.296 4.444 4.740 -0.001 0.000 0.249 297 N C -0.066 175.169 175.510 -0.458 0.000 1.047 297 N CA 1.323 53.873 53.050 -0.834 0.000 0.707 297 N CB -0.986 36.819 38.487 -1.137 0.000 0.937 297 N HN 0.782 nan 8.380 nan 0.000 0.545 298 Q N -2.028 117.615 119.800 -0.260 0.000 2.480 298 Q HA -0.170 4.169 4.340 -0.001 0.000 0.265 298 Q C 1.207 177.115 176.000 -0.153 0.000 1.072 298 Q CA 2.288 58.011 55.803 -0.134 0.000 1.018 298 Q CB -1.893 26.769 28.738 -0.127 0.000 1.433 298 Q HN 1.284 nan 8.270 nan 0.000 0.513 299 G N -0.974 107.693 108.800 -0.222 0.000 2.168 299 G HA2 -0.390 3.570 3.960 -0.001 0.000 0.263 299 G HA3 -0.390 3.570 3.960 -0.001 0.000 0.263 299 G C 0.114 174.726 174.900 -0.479 0.000 0.977 299 G CA 0.455 45.385 45.100 -0.283 0.000 0.659 299 G HN 0.464 nan 8.290 nan 0.000 0.533 300 Q N -0.147 119.299 119.800 -0.590 0.000 3.207 300 Q HA 0.471 4.810 4.340 -0.001 0.000 0.335 300 Q C 0.062 175.443 176.000 -1.031 0.000 1.374 300 Q CA -0.068 55.065 55.803 -1.116 0.000 1.023 300 Q CB 0.662 29.130 28.738 -0.450 0.000 1.576 300 Q HN 0.405 nan 8.270 nan 0.000 0.515 301 C N 0.036 118.859 119.300 -0.795 0.000 2.396 301 C HA 0.307 4.767 4.460 -0.001 0.000 0.321 301 C C 2.089 177.151 174.990 0.120 0.000 1.233 301 C CA -0.770 58.188 59.018 -0.100 0.000 1.440 301 C CB -0.001 27.824 27.740 0.142 0.000 2.110 301 C HN 0.976 nan 8.230 nan 0.000 0.473 302 C N 2.180 121.703 119.300 0.373 0.000 2.401 302 C HA -0.117 4.342 4.460 -0.001 0.000 0.276 302 C C 2.125 177.342 174.990 0.378 0.000 1.233 302 C CA 1.721 61.004 59.018 0.443 0.000 1.753 302 C CB -2.427 25.539 27.740 0.377 0.000 2.029 302 C HN 1.012 nan 8.230 nan 0.000 0.478 303 C N 1.448 121.032 119.300 0.472 0.000 2.525 303 C HA 0.723 5.183 4.460 -0.001 0.000 0.313 303 C C 1.377 176.687 174.990 0.533 0.000 1.311 303 C CA -0.916 58.428 59.018 0.543 0.000 1.725 303 C CB -2.586 25.654 27.740 0.834 0.000 1.926 303 C HN 0.780 nan 8.230 nan 0.000 0.595 304 A N 1.147 124.167 122.820 0.333 0.000 2.565 304 A HA 0.442 4.761 4.320 -0.001 0.000 0.237 304 A C 1.143 178.826 177.584 0.165 0.000 1.053 304 A CA 0.820 52.971 52.037 0.190 0.000 0.755 304 A CB -0.112 18.886 19.000 -0.003 0.000 0.980 304 A HN 1.120 nan 8.150 nan 0.000 0.506 305 G N 1.739 110.516 108.800 -0.039 0.000 2.916 305 G HA2 0.330 4.289 3.960 -0.001 0.000 0.280 305 G HA3 0.330 4.289 3.960 -0.001 0.000 0.280 305 G C 0.886 175.720 174.900 -0.109 0.000 0.758 305 G CA 0.375 45.413 45.100 -0.104 0.000 1.993 305 G HN 1.190 nan 8.290 nan 0.000 0.564 306 S N 0.882 116.561 115.700 -0.035 0.000 2.631 306 S HA 0.194 4.664 4.470 -0.001 0.000 0.217 306 S C 0.930 175.484 174.600 -0.076 0.000 0.958 306 S CA -0.304 57.849 58.200 -0.078 0.000 0.920 306 S CB 0.402 63.565 63.200 -0.062 0.000 0.776 306 S HN 0.427 nan 8.310 nan 0.000 0.517 307 R N 1.577 122.042 120.500 -0.058 0.000 2.576 307 R HA 0.258 4.597 4.340 -0.001 0.000 0.283 307 R C -1.309 174.887 176.300 -0.174 0.000 1.493 307 R CA -0.088 55.912 56.100 -0.167 0.000 1.170 307 R CB 1.347 31.586 30.300 -0.101 0.000 1.189 307 R HN 0.144 nan 8.270 nan 0.000 0.542 308 T N 3.738 118.181 114.554 -0.184 0.000 2.782 308 T HA 0.266 4.616 4.350 -0.001 0.000 0.298 308 T C -0.120 174.501 174.700 -0.131 0.000 0.944 308 T CA -0.010 62.036 62.100 -0.090 0.000 1.001 308 T CB -0.147 68.710 68.868 -0.018 0.000 0.932 308 T HN 0.171 nan 8.240 nan 0.000 0.524 309 F N 2.648 122.619 119.950 0.035 0.000 2.424 309 F HA 0.423 4.950 4.527 -0.001 0.000 0.356 309 F C 0.341 176.286 175.800 0.242 0.000 1.110 309 F CA -0.701 57.376 58.000 0.128 0.000 1.161 309 F CB 0.856 39.815 39.000 -0.068 0.000 1.115 309 F HN 0.187 nan 8.300 nan 0.000 0.507 310 V N 4.037 124.226 119.914 0.459 0.000 2.487 310 V HA 0.228 4.348 4.120 -0.001 0.000 0.298 310 V C -0.075 176.030 176.094 0.018 0.000 1.028 310 V CA -1.112 61.297 62.300 0.181 0.000 0.860 310 V CB 1.446 33.182 31.823 -0.146 0.000 0.991 310 V HN 0.562 nan 8.190 nan 0.000 0.427 311 Q N 3.292 122.869 119.800 -0.372 0.000 2.315 311 Q HA -0.026 4.314 4.340 -0.001 0.000 0.289 311 Q C 1.494 177.297 176.000 -0.328 0.000 1.044 311 Q CA 0.505 55.774 55.803 -0.891 0.000 0.920 311 Q CB 0.994 29.375 28.738 -0.596 0.000 1.214 311 Q HN 1.028 nan 8.270 nan 0.000 0.392 312 E N 2.849 122.855 120.200 -0.324 0.000 2.147 312 E HA -0.277 4.073 4.350 -0.001 0.000 0.199 312 E C 0.289 176.879 176.600 -0.017 0.000 1.005 312 E CA 1.815 58.142 56.400 -0.122 0.000 0.810 312 E CB 0.034 29.646 29.700 -0.146 0.000 0.736 312 E HN 0.547 nan 8.360 nan 0.000 0.460 313 D N 1.002 121.372 120.400 -0.050 0.000 2.218 313 D HA -0.091 4.548 4.640 -0.001 0.000 0.204 313 D C 1.930 178.255 176.300 0.042 0.000 0.976 313 D CA 1.418 55.417 54.000 -0.002 0.000 0.853 313 D CB -0.041 40.749 40.800 -0.017 0.000 0.939 313 D HN 0.648 nan 8.370 nan 0.000 0.481 314 I N -3.651 116.952 120.570 0.056 0.000 4.081 314 I HA 0.202 4.372 4.170 -0.001 0.000 0.333 314 I C 1.668 177.872 176.117 0.144 0.000 1.413 314 I CA -0.577 60.781 61.300 0.096 0.000 1.110 314 I CB -0.101 37.960 38.000 0.101 0.000 1.082 314 I HN -0.221 nan 8.210 nan 0.000 0.402 315 Y N 2.854 123.168 120.300 0.024 0.000 2.053 315 Y HA -0.312 4.237 4.550 -0.001 0.000 0.277 315 Y C 2.130 178.099 175.900 0.115 0.000 1.159 315 Y CA 2.383 60.515 58.100 0.054 0.000 1.125 315 Y CB -0.064 38.401 38.460 0.009 0.000 0.969 315 Y HN 0.206 nan 8.280 nan 0.000 0.492 316 D N 0.080 120.552 120.400 0.119 0.000 2.116 316 D HA -0.237 4.402 4.640 -0.001 0.000 0.193 316 D C 2.064 178.350 176.300 -0.023 0.000 0.998 316 D CA 1.836 55.852 54.000 0.028 0.000 0.836 316 D CB -0.477 40.385 40.800 0.102 0.000 0.951 316 D HN 0.619 nan 8.370 nan 0.000 0.449 317 E N -0.565 119.651 120.200 0.027 0.000 2.072 317 E HA -0.163 4.187 4.350 -0.001 0.000 0.191 317 E C 2.091 178.691 176.600 -0.000 0.000 0.985 317 E CA 0.398 56.807 56.400 0.017 0.000 0.801 317 E CB -0.196 29.530 29.700 0.044 0.000 0.750 317 E HN 0.213 nan 8.360 nan 0.000 0.452 318 F N 0.742 120.630 119.950 -0.104 0.000 2.095 318 F HA -0.231 4.295 4.527 -0.001 0.000 0.298 318 F C 2.086 177.789 175.800 -0.162 0.000 1.104 318 F CA 1.369 59.300 58.000 -0.114 0.000 1.232 318 F CB -0.203 38.736 39.000 -0.102 0.000 0.987 318 F HN -0.115 nan 8.300 nan 0.000 0.475 319 V N 0.433 120.320 119.914 -0.045 0.000 2.295 319 V HA -0.329 3.791 4.120 -0.001 0.000 0.246 319 V C 2.366 178.381 176.094 -0.132 0.000 1.049 319 V CA 2.327 64.545 62.300 -0.136 0.000 1.024 319 V CB -0.780 30.849 31.823 -0.323 0.000 0.648 319 V HN 0.431 nan 8.190 nan 0.000 0.447 320 E N 0.094 120.225 120.200 -0.115 0.000 2.070 320 E HA -0.279 4.070 4.350 -0.001 0.000 0.197 320 E C 2.434 178.961 176.600 -0.123 0.000 1.004 320 E CA 1.662 58.007 56.400 -0.091 0.000 0.805 320 E CB -0.049 29.613 29.700 -0.063 0.000 0.744 320 E HN 0.534 nan 8.360 nan 0.000 0.451 321 R N -0.205 120.191 120.500 -0.173 0.000 2.090 321 R HA -0.011 4.329 4.340 -0.001 0.000 0.228 321 R C 2.621 178.769 176.300 -0.255 0.000 1.110 321 R CA 1.259 57.231 56.100 -0.212 0.000 0.973 321 R CB -0.068 30.081 30.300 -0.252 0.000 0.869 321 R HN 0.038 nan 8.270 nan 0.000 0.440 322 S N 0.250 115.764 115.700 -0.309 0.000 2.368 322 S HA -0.085 4.385 4.470 -0.001 0.000 0.224 322 S C 2.053 176.595 174.600 -0.097 0.000 1.029 322 S CA 1.078 59.140 58.200 -0.231 0.000 0.988 322 S CB -0.048 63.029 63.200 -0.206 0.000 0.838 322 S HN 0.063 nan 8.310 nan 0.000 0.462 323 V N 1.968 121.829 119.914 -0.089 0.000 2.358 323 V HA -0.161 3.958 4.120 -0.001 0.000 0.246 323 V C 2.626 178.667 176.094 -0.089 0.000 1.047 323 V CA 1.601 63.865 62.300 -0.060 0.000 1.035 323 V CB -1.169 30.623 31.823 -0.051 0.000 0.658 323 V HN 0.525 nan 8.190 nan 0.000 0.452 324 A N 0.424 123.178 122.820 -0.111 0.000 1.908 324 A HA -0.273 4.047 4.320 -0.001 0.000 0.218 324 A C 2.308 179.796 177.584 -0.159 0.000 1.181 324 A CA 2.259 54.224 52.037 -0.119 0.000 0.627 324 A CB -0.535 18.396 19.000 -0.114 0.000 0.818 324 A HN 0.455 nan 8.150 nan 0.000 0.445 325 R N 0.170 120.543 120.500 -0.212 0.000 2.081 325 R HA 0.009 4.349 4.340 -0.001 0.000 0.235 325 R C 2.109 178.179 176.300 -0.383 0.000 1.131 325 R CA 1.904 57.797 56.100 -0.345 0.000 0.960 325 R CB -0.911 29.112 30.300 -0.461 0.000 0.856 325 R HN 0.390 nan 8.270 nan 0.000 0.436 326 A N 0.530 123.216 122.820 -0.223 0.000 1.930 326 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 326 A C 1.946 179.420 177.584 -0.183 0.000 1.175 326 A CA 1.531 53.450 52.037 -0.198 0.000 0.627 326 A CB -0.354 18.594 19.000 -0.087 0.000 0.815 326 A HN 0.366 nan 8.150 nan 0.000 0.443 327 K N 0.288 120.605 120.400 -0.138 0.000 2.217 327 K HA -0.082 4.238 4.320 -0.001 0.000 0.202 327 K C 2.123 178.657 176.600 -0.111 0.000 1.051 327 K CA 1.413 57.636 56.287 -0.108 0.000 0.952 327 K CB -0.099 32.349 32.500 -0.086 0.000 0.736 327 K HN 0.655 nan 8.250 nan 0.000 0.453 328 S N 0.555 116.173 115.700 -0.136 0.000 2.528 328 S HA -0.017 4.453 4.470 -0.001 0.000 0.219 328 S C 0.881 175.410 174.600 -0.119 0.000 0.985 328 S CA -0.259 57.868 58.200 -0.121 0.000 0.914 328 S CB -0.064 63.057 63.200 -0.132 0.000 0.776 328 S HN 0.134 nan 8.310 nan 0.000 0.526 329 R N 1.892 122.306 120.500 -0.144 0.000 2.458 329 R HA 0.194 4.533 4.340 -0.001 0.000 0.303 329 R C -1.019 175.240 176.300 -0.070 0.000 1.013 329 R CA -0.081 55.955 56.100 -0.108 0.000 1.026 329 R CB 0.231 30.448 30.300 -0.139 0.000 0.948 329 R HN 0.173 nan 8.270 nan 0.000 0.417 330 V N 6.489 126.379 119.914 -0.040 0.000 2.405 330 V HA 0.106 4.226 4.120 -0.001 0.000 0.264 330 V C 0.162 176.250 176.094 -0.010 0.000 1.048 330 V CA -0.351 61.931 62.300 -0.029 0.000 0.966 330 V CB 1.099 32.910 31.823 -0.020 0.000 1.015 330 V HN 0.466 nan 8.190 nan 0.000 0.477 331 V N 5.019 124.922 119.914 -0.019 0.000 2.439 331 V HA 0.981 5.101 4.120 -0.001 0.000 0.282 331 V C 0.733 176.780 176.094 -0.078 0.000 1.039 331 V CA 0.596 62.903 62.300 0.011 0.000 0.913 331 V CB 0.961 32.802 31.823 0.031 0.000 0.983 331 V HN 1.127 nan 8.190 nan 0.000 0.460 332 G N 3.389 112.160 108.800 -0.048 0.000 2.336 332 G HA2 0.109 4.069 3.960 -0.001 0.000 0.286 332 G HA3 0.109 4.069 3.960 -0.001 0.000 0.286 332 G C -0.966 173.944 174.900 0.017 0.000 1.269 332 G CA -0.860 44.122 45.100 -0.197 0.000 0.873 332 G HN 0.589 nan 8.290 nan 0.000 0.494 333 N N 2.057 120.750 118.700 -0.013 0.000 2.374 333 N HA 0.116 4.855 4.740 -0.001 0.000 0.269 333 N C -0.566 175.002 175.510 0.097 0.000 1.310 333 N CA -0.972 52.139 53.050 0.101 0.000 0.877 333 N CB 1.364 39.897 38.487 0.075 0.000 1.096 333 N HN 0.166 nan 8.380 nan 0.000 0.484 334 P HA -0.150 nan 4.420 nan 0.000 0.221 334 P C 0.923 178.159 177.300 -0.107 0.000 1.145 334 P CA 1.251 64.308 63.100 -0.072 0.000 0.795 334 P CB -0.055 31.517 31.700 -0.213 0.000 0.775 335 F N -0.247 119.736 119.950 0.056 0.000 2.780 335 F HA 0.067 4.593 4.527 -0.000 0.000 0.299 335 F C 1.334 177.147 175.800 0.021 0.000 1.146 335 F CA 0.012 58.025 58.000 0.021 0.000 1.428 335 F CB -0.067 38.899 39.000 -0.057 0.000 1.115 335 F HN -0.114 nan 8.300 nan 0.000 0.583 336 D N 0.135 120.638 120.400 0.172 0.000 2.277 336 D HA 0.009 4.648 4.640 -0.001 0.000 0.249 336 D C 1.216 177.577 176.300 0.101 0.000 1.134 336 D CA 0.228 54.293 54.000 0.108 0.000 0.863 336 D CB 1.560 42.397 40.800 0.062 0.000 1.143 336 D HN 0.134 nan 8.370 nan 0.000 0.458 337 S N 3.738 119.494 115.700 0.095 0.000 2.420 337 S HA -0.203 4.267 4.470 -0.001 0.000 0.237 337 S C 1.366 176.003 174.600 0.062 0.000 1.023 337 S CA 0.953 59.207 58.200 0.089 0.000 0.991 337 S CB -0.069 63.175 63.200 0.072 0.000 0.792 337 S HN 0.531 nan 8.310 nan 0.000 0.488 338 K N 0.897 121.324 120.400 0.045 0.000 2.418 338 K HA 0.109 4.428 4.320 -0.001 0.000 0.195 338 K C 0.093 176.711 176.600 0.029 0.000 1.035 338 K CA 0.412 56.717 56.287 0.029 0.000 1.003 338 K CB -0.145 32.362 32.500 0.012 0.000 0.793 338 K HN 0.265 nan 8.250 nan 0.000 0.494 339 T N 2.084 116.661 114.554 0.039 0.000 2.817 339 T HA 0.033 4.383 4.350 -0.001 0.000 0.295 339 T C 0.777 175.506 174.700 0.048 0.000 0.958 339 T CA 0.284 62.407 62.100 0.038 0.000 1.157 339 T CB 0.918 69.815 68.868 0.047 0.000 0.898 339 T HN 0.190 nan 8.240 nan 0.000 0.536 340 E N 2.070 122.298 120.200 0.046 0.000 2.251 340 E HA 0.042 4.391 4.350 -0.001 0.000 0.194 340 E C 0.839 177.474 176.600 0.058 0.000 0.964 340 E CA 0.236 56.674 56.400 0.063 0.000 0.868 340 E CB 0.539 30.277 29.700 0.064 0.000 0.828 340 E HN 0.550 nan 8.360 nan 0.000 0.481 341 Q N 0.368 120.200 119.800 0.054 0.000 2.292 341 Q HA 0.417 4.756 4.340 -0.001 0.000 0.270 341 Q C -0.578 175.492 176.000 0.116 0.000 1.024 341 Q CA -0.620 55.219 55.803 0.060 0.000 0.768 341 Q CB 1.713 30.490 28.738 0.065 0.000 1.250 341 Q HN 0.130 nan 8.270 nan 0.000 0.447 342 G N 3.229 112.066 108.800 0.061 0.000 2.543 342 G HA2 0.580 4.540 3.960 -0.001 0.000 0.267 342 G HA3 0.580 4.540 3.960 -0.001 0.000 0.267 342 G C -2.515 172.343 174.900 -0.069 0.000 1.406 342 G CA -1.007 44.147 45.100 0.089 0.000 1.048 342 G HN 0.561 nan 8.290 nan 0.000 0.548 343 P HA 0.202 nan 4.420 nan 0.000 0.277 343 P C -0.801 176.309 177.300 -0.317 0.000 1.271 343 P CA -0.401 62.222 63.100 -0.795 0.000 0.795 343 P CB 0.961 31.880 31.700 -1.302 0.000 1.101 344 Q N -0.134 119.563 119.800 -0.172 0.000 2.382 344 Q HA 0.071 4.410 4.340 -0.001 0.000 0.229 344 Q C 1.362 177.244 176.000 -0.196 0.000 1.006 344 Q CA -0.425 55.319 55.803 -0.099 0.000 0.916 344 Q CB 0.256 29.015 28.738 0.037 0.000 1.235 344 Q HN 0.193 nan 8.270 nan 0.000 0.512 345 V N 0.559 120.279 119.914 -0.324 0.000 2.332 345 V HA -0.230 3.890 4.120 -0.001 0.000 0.248 345 V C 0.335 176.161 176.094 -0.445 0.000 1.055 345 V CA 2.735 64.753 62.300 -0.471 0.000 1.038 345 V CB -0.099 31.144 31.823 -0.966 0.000 0.651 345 V HN 0.984 nan 8.190 nan 0.000 0.450 346 D N -3.559 116.507 120.400 -0.556 0.000 2.768 346 D HA 0.111 4.751 4.640 -0.001 0.000 0.327 346 D C 0.685 176.326 176.300 -1.099 0.000 1.302 346 D CA -0.044 53.520 54.000 -0.728 0.000 0.897 346 D CB 0.588 41.091 40.800 -0.494 0.000 1.420 346 D HN -0.016 nan 8.370 nan 0.000 0.494 347 E N -0.685 118.806 120.200 -1.183 0.000 2.072 347 E HA -0.143 4.207 4.350 -0.001 0.000 0.191 347 E C 1.196 177.649 176.600 -0.244 0.000 0.985 347 E CA 1.709 57.641 56.400 -0.779 0.000 0.801 347 E CB -0.072 29.410 29.700 -0.364 0.000 0.750 347 E HN 0.511 nan 8.360 nan 0.000 0.452 348 T N 0.670 115.091 114.554 -0.222 0.000 2.684 348 T HA -0.215 4.135 4.350 -0.001 0.000 0.267 348 T C 1.819 176.478 174.700 -0.068 0.000 1.036 348 T CA 1.593 63.628 62.100 -0.108 0.000 1.148 348 T CB -0.271 68.539 68.868 -0.096 0.000 0.863 348 T HN 0.116 nan 8.240 nan 0.000 0.436 349 Q N 0.178 119.911 119.800 -0.113 0.000 2.079 349 Q HA -0.003 4.337 4.340 -0.001 0.000 0.200 349 Q C 1.857 177.887 176.000 0.050 0.000 0.974 349 Q CA 1.248 57.041 55.803 -0.016 0.000 0.840 349 Q CB -0.704 27.975 28.738 -0.097 0.000 0.898 349 Q HN 0.531 nan 8.270 nan 0.000 0.430 350 F N 1.009 120.859 119.950 -0.167 0.000 2.065 350 F HA -0.234 4.292 4.527 -0.001 0.000 0.298 350 F C 1.694 177.484 175.800 -0.017 0.000 1.112 350 F CA 1.916 59.869 58.000 -0.079 0.000 1.212 350 F CB -0.150 38.777 39.000 -0.122 0.000 0.975 350 F HN 0.025 nan 8.300 nan 0.000 0.476 351 K N 0.007 120.391 120.400 -0.027 0.000 2.097 351 K HA -0.200 4.120 4.320 -0.001 0.000 0.205 351 K C 2.221 178.753 176.600 -0.112 0.000 1.050 351 K CA 1.467 57.685 56.287 -0.116 0.000 0.938 351 K CB -0.289 32.199 32.500 -0.020 0.000 0.718 351 K HN 0.251 nan 8.250 nan 0.000 0.442 352 K N 1.310 121.677 120.400 -0.056 0.000 2.057 352 K HA -0.107 4.212 4.320 -0.001 0.000 0.207 352 K C 2.017 178.616 176.600 -0.001 0.000 1.049 352 K CA 1.086 57.336 56.287 -0.061 0.000 0.931 352 K CB -0.014 32.501 32.500 0.025 0.000 0.714 352 K HN 0.053 nan 8.250 nan 0.000 0.440 353 I N 1.039 121.655 120.570 0.076 0.000 2.202 353 I HA -0.295 3.874 4.170 -0.001 0.000 0.242 353 I C 2.114 178.270 176.117 0.066 0.000 1.091 353 I CA 1.074 62.465 61.300 0.151 0.000 1.368 353 I CB -0.222 37.840 38.000 0.103 0.000 1.058 353 I HN 0.157 nan 8.210 nan 0.000 0.410 354 L N 0.493 121.660 121.223 -0.093 0.000 2.131 354 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 354 L C 2.655 179.497 176.870 -0.047 0.000 1.092 354 L CA 1.443 56.216 54.840 -0.112 0.000 0.759 354 L CB -1.130 40.772 42.059 -0.261 0.000 0.903 354 L HN 0.337 nan 8.230 nan 0.000 0.435 355 G N -1.073 107.675 108.800 -0.086 0.000 2.402 355 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.216 355 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.216 355 G C 1.402 176.253 174.900 -0.082 0.000 1.162 355 G CA 0.474 45.500 45.100 -0.123 0.000 0.777 355 G HN 0.304 nan 8.290 nan 0.000 0.539 356 Y N 0.428 120.737 120.300 0.016 0.000 2.242 356 Y HA -0.005 4.544 4.550 -0.001 0.000 0.291 356 Y C 2.769 178.702 175.900 0.056 0.000 1.137 356 Y CA 0.503 58.620 58.100 0.027 0.000 1.181 356 Y CB -0.029 38.457 38.460 0.043 0.000 0.989 356 Y HN 0.115 nan 8.280 nan 0.000 0.527 357 I N -0.022 120.709 120.570 0.267 0.000 2.226 357 I HA -0.340 3.830 4.170 -0.001 0.000 0.245 357 I C 2.189 178.462 176.117 0.260 0.000 1.100 357 I CA 1.652 63.153 61.300 0.335 0.000 1.374 357 I CB -0.400 37.738 38.000 0.229 0.000 1.057 357 I HN 0.283 nan 8.210 nan 0.000 0.413 358 N N 0.545 119.324 118.700 0.132 0.000 2.084 358 N HA -0.179 4.560 4.740 -0.001 0.000 0.190 358 N C 1.702 177.247 175.510 0.058 0.000 1.030 358 N CA 2.146 55.246 53.050 0.082 0.000 0.849 358 N CB -0.092 38.411 38.487 0.027 0.000 1.012 358 N HN 0.163 nan 8.380 nan 0.000 0.423 359 T N -1.206 113.372 114.554 0.041 0.000 2.788 359 T HA -0.055 4.295 4.350 -0.001 0.000 0.268 359 T C 1.779 176.443 174.700 -0.059 0.000 1.044 359 T CA 1.293 63.398 62.100 0.009 0.000 1.139 359 T CB -0.972 67.924 68.868 0.047 0.000 0.867 359 T HN 0.477 nan 8.240 nan 0.000 0.454 360 G N 1.847 110.561 108.800 -0.143 0.000 2.418 360 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.217 360 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.217 360 G C 1.615 176.332 174.900 -0.305 0.000 1.158 360 G CA 0.611 45.381 45.100 -0.550 0.000 0.771 360 G HN 0.437 nan 8.290 nan 0.000 0.545 361 K N -0.188 120.229 120.400 0.029 0.000 2.025 361 K HA -0.038 4.282 4.320 -0.001 0.000 0.207 361 K C 2.648 179.277 176.600 0.047 0.000 1.049 361 K CA 0.934 57.301 56.287 0.134 0.000 0.933 361 K CB -0.218 32.385 32.500 0.172 0.000 0.714 361 K HN 0.148 nan 8.250 nan 0.000 0.438 362 Q N 1.161 120.974 119.800 0.022 0.000 2.135 362 Q HA -0.171 4.169 4.340 -0.001 0.000 0.204 362 Q C 1.471 177.467 176.000 -0.006 0.000 0.981 362 Q CA 1.534 57.343 55.803 0.009 0.000 0.856 362 Q CB -0.063 28.678 28.738 0.004 0.000 0.902 362 Q HN 0.461 nan 8.270 nan 0.000 0.425 363 E N -1.097 119.083 120.200 -0.033 0.000 2.502 363 E HA 0.112 4.462 4.350 -0.001 0.000 0.194 363 E C 0.683 177.263 176.600 -0.034 0.000 1.062 363 E CA 0.337 56.714 56.400 -0.039 0.000 0.867 363 E CB 0.270 29.934 29.700 -0.059 0.000 0.888 363 E HN 0.499 nan 8.360 nan 0.000 0.510 364 G N 1.123 109.912 108.800 -0.018 0.000 2.157 364 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.239 364 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.239 364 G C 0.339 175.248 174.900 0.015 0.000 0.982 364 G CA -0.047 45.057 45.100 0.008 0.000 0.650 364 G HN 0.443 nan 8.290 nan 0.000 0.527 365 A N 0.093 122.893 122.820 -0.034 0.000 2.425 365 A HA 0.597 4.916 4.320 -0.001 0.000 0.249 365 A C 0.692 178.407 177.584 0.219 0.000 1.084 365 A CA 0.486 52.523 52.037 0.000 0.000 0.781 365 A CB 0.401 19.214 19.000 -0.311 0.000 1.019 365 A HN 0.494 nan 8.150 nan 0.000 0.490 366 K N 2.403 122.956 120.400 0.256 0.000 2.315 366 K HA 0.218 4.538 4.320 -0.001 0.000 0.291 366 K C -0.686 176.093 176.600 0.297 0.000 1.074 366 K CA -0.399 56.034 56.287 0.245 0.000 0.936 366 K CB -0.011 32.592 32.500 0.171 0.000 1.049 366 K HN 0.585 nan 8.250 nan 0.000 0.471 367 L N 6.198 127.562 121.223 0.235 0.000 2.433 367 L HA 0.057 4.397 4.340 -0.001 0.000 0.275 367 L C 0.275 177.115 176.870 -0.049 0.000 1.128 367 L CA 0.632 55.441 54.840 -0.052 0.000 0.875 367 L CB 0.432 42.457 42.059 -0.056 0.000 1.171 367 L HN 0.771 nan 8.230 nan 0.000 0.463 368 L N 4.835 126.001 121.223 -0.094 0.000 2.515 368 L HA 0.231 4.571 4.340 -0.001 0.000 0.223 368 L C 0.322 177.154 176.870 -0.064 0.000 1.079 368 L CA 0.183 54.996 54.840 -0.045 0.000 0.857 368 L CB 0.115 42.167 42.059 -0.012 0.000 1.050 368 L HN 0.841 nan 8.230 nan 0.000 0.476 369 C N -3.226 116.011 119.300 -0.106 0.000 3.292 369 C HA 0.730 5.189 4.460 -0.001 0.000 0.338 369 C C 0.674 175.601 174.990 -0.106 0.000 1.323 369 C CA -0.604 58.364 59.018 -0.083 0.000 1.232 369 C CB 0.802 28.507 27.740 -0.058 0.000 1.517 369 C HN 0.611 nan 8.230 nan 0.000 0.470 370 G N 0.867 109.625 108.800 -0.069 0.000 2.564 370 G HA2 0.363 4.323 3.960 -0.001 0.000 0.273 370 G HA3 0.363 4.323 3.960 -0.001 0.000 0.273 370 G C 1.246 176.102 174.900 -0.074 0.000 1.242 370 G CA 2.281 47.349 45.100 -0.053 0.000 0.951 370 G HN 3.325 nan 8.290 nan 0.000 0.564 371 G N -2.612 106.149 108.800 -0.065 0.000 2.231 371 G HA2 0.473 4.433 3.960 -0.001 0.000 0.206 371 G HA3 0.473 4.433 3.960 -0.001 0.000 0.206 371 G C 1.381 176.278 174.900 -0.005 0.000 0.996 371 G CA 0.954 46.019 45.100 -0.058 0.000 0.645 371 G HN 2.586 nan 8.290 nan 0.000 0.498 372 G N -0.514 108.290 108.800 0.008 0.000 2.975 372 G HA2 0.746 4.706 3.960 -0.001 0.000 0.291 372 G HA3 0.746 4.706 3.960 -0.001 0.000 0.291 372 G C 0.042 174.975 174.900 0.054 0.000 1.334 372 G CA -0.297 44.815 45.100 0.019 0.000 0.843 372 G HN 1.210 nan 8.290 nan 0.000 0.548 373 I N -1.300 119.322 120.570 0.086 0.000 2.692 373 I HA 0.534 4.703 4.170 -0.001 0.000 0.284 373 I C 1.031 177.245 176.117 0.161 0.000 1.159 373 I CA -0.110 61.309 61.300 0.199 0.000 1.423 373 I CB 1.611 39.786 38.000 0.291 0.000 1.380 373 I HN 0.449 nan 8.210 nan 0.000 0.580 374 A N 4.452 127.396 122.820 0.206 0.000 2.220 374 A HA 0.730 5.050 4.320 -0.001 0.000 0.211 374 A C 0.930 178.533 177.584 0.032 0.000 1.176 374 A CA 0.609 52.712 52.037 0.111 0.000 0.834 374 A CB -0.163 18.915 19.000 0.130 0.000 0.868 374 A HN 1.086 nan 8.150 nan 0.000 0.488 375 A N -1.048 121.823 122.820 0.084 0.000 2.609 375 A HA 0.560 4.879 4.320 -0.001 0.000 0.291 375 A C -0.861 176.753 177.584 0.049 0.000 1.096 375 A CA -0.304 51.724 52.037 -0.014 0.000 0.684 375 A CB 0.431 19.309 19.000 -0.202 0.000 1.282 375 A HN -0.051 nan 8.150 nan 0.000 0.412 376 D N -0.098 120.302 120.400 -0.001 0.000 2.349 376 D HA 0.108 4.747 4.640 -0.001 0.000 0.215 376 D C 0.520 176.809 176.300 -0.019 0.000 1.016 376 D CA 0.889 54.893 54.000 0.008 0.000 0.870 376 D CB 0.341 41.137 40.800 -0.006 0.000 0.917 376 D HN 0.461 nan 8.370 nan 0.000 0.524 377 R N -0.224 120.259 120.500 -0.029 0.000 2.621 377 R HA 0.497 4.837 4.340 -0.001 0.000 0.284 377 R C -0.269 176.016 176.300 -0.026 0.000 0.998 377 R CA -0.184 55.874 56.100 -0.070 0.000 0.895 377 R CB 1.659 31.924 30.300 -0.059 0.000 1.195 377 R HN 0.067 nan 8.270 nan 0.000 0.450 378 G N 1.978 110.604 108.800 -0.290 0.000 2.746 378 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.685 378 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.685 378 G C -1.011 173.422 174.900 -0.779 0.000 1.350 378 G CA -0.506 44.292 45.100 -0.502 0.000 0.837 378 G HN 0.622 nan 8.290 nan 0.000 0.564 379 Y N -0.038 119.872 120.300 -0.650 0.000 2.928 379 Y HA 0.492 5.042 4.550 -0.001 0.000 0.390 379 Y C 0.802 176.444 175.900 -0.431 0.000 1.101 379 Y CA -0.624 56.958 58.100 -0.863 0.000 1.777 379 Y CB -0.138 37.917 38.460 -0.675 0.000 1.720 379 Y HN 0.337 nan 8.280 nan 0.000 0.484 380 F N 1.384 121.337 119.950 0.004 0.000 2.410 380 F HA 0.472 4.998 4.527 -0.001 0.000 0.348 380 F C 0.182 176.164 175.800 0.303 0.000 1.106 380 F CA -0.722 57.358 58.000 0.134 0.000 1.163 380 F CB 0.694 39.715 39.000 0.035 0.000 1.129 380 F HN 0.005 nan 8.300 nan 0.000 0.516 381 I N 2.491 123.301 120.570 0.399 0.000 2.545 381 I HA 0.232 4.402 4.170 -0.001 0.000 0.292 381 I C -0.558 175.675 176.117 0.193 0.000 1.040 381 I CA -0.970 60.496 61.300 0.278 0.000 1.068 381 I CB 2.025 40.149 38.000 0.206 0.000 1.251 381 I HN 0.528 nan 8.210 nan 0.000 0.424 382 Q N 5.859 125.738 119.800 0.133 0.000 2.364 382 Q HA 0.173 4.512 4.340 -0.001 0.000 0.267 382 Q C -2.309 173.745 176.000 0.090 0.000 0.999 382 Q CA -1.504 54.349 55.803 0.082 0.000 0.886 382 Q CB 0.143 28.905 28.738 0.041 0.000 1.243 382 Q HN 0.243 nan 8.270 nan 0.000 0.415 383 P HA -0.026 nan 4.420 nan 0.000 0.265 383 P C -1.140 176.240 177.300 0.132 0.000 1.222 383 P CA 0.504 63.664 63.100 0.101 0.000 0.767 383 P CB 0.597 32.155 31.700 -0.236 0.000 0.801 384 T N 2.948 117.644 114.554 0.236 0.000 2.823 384 T HA 0.493 4.842 4.350 -0.001 0.000 0.279 384 T C -0.346 174.387 174.700 0.055 0.000 0.998 384 T CA -0.454 61.670 62.100 0.041 0.000 0.994 384 T CB 1.073 69.905 68.868 -0.060 0.000 0.960 384 T HN -0.058 nan 8.240 nan 0.000 0.448 385 V N 3.483 123.343 119.914 -0.090 0.000 2.483 385 V HA 0.505 4.625 4.120 -0.001 0.000 0.297 385 V C -1.074 174.920 176.094 -0.166 0.000 1.027 385 V CA -0.902 61.380 62.300 -0.031 0.000 0.855 385 V CB 1.301 33.160 31.823 0.059 0.000 0.995 385 V HN 0.847 nan 8.190 nan 0.000 0.424 386 F N 2.449 122.430 119.950 0.051 0.000 2.427 386 F HA 0.761 5.287 4.527 -0.001 0.000 0.346 386 F C 0.944 176.779 175.800 0.059 0.000 1.120 386 F CA -0.284 57.743 58.000 0.047 0.000 1.033 386 F CB 2.058 41.075 39.000 0.029 0.000 1.126 386 F HN 0.606 nan 8.300 nan 0.000 0.462 387 G N 0.860 109.828 108.800 0.280 0.000 2.509 387 G HA2 0.352 4.311 3.960 -0.001 0.000 0.328 387 G HA3 0.352 4.311 3.960 -0.001 0.000 0.328 387 G C -0.590 174.456 174.900 0.243 0.000 1.194 387 G CA -0.646 44.602 45.100 0.247 0.000 0.967 387 G HN 0.705 nan 8.290 nan 0.000 0.488 388 D N -1.146 119.422 120.400 0.280 0.000 2.708 388 D HA -0.164 4.476 4.640 -0.001 0.000 0.236 388 D C 0.575 176.921 176.300 0.077 0.000 1.146 388 D CA 0.643 54.729 54.000 0.144 0.000 0.662 388 D CB -1.257 39.612 40.800 0.115 0.000 1.059 388 D HN 0.199 nan 8.370 nan 0.000 0.428 389 V N 0.840 120.795 119.914 0.069 0.000 2.614 389 V HA 0.036 4.155 4.120 -0.001 0.000 0.291 389 V C 0.881 176.965 176.094 -0.017 0.000 1.049 389 V CA 0.119 62.421 62.300 0.002 0.000 1.038 389 V CB 1.660 33.468 31.823 -0.025 0.000 0.980 389 V HN 0.052 nan 8.190 nan 0.000 0.481 390 Q N 2.124 121.912 119.800 -0.020 0.000 2.257 390 Q HA 0.321 4.661 4.340 -0.001 0.000 0.262 390 Q C 0.493 176.495 176.000 0.002 0.000 0.997 390 Q CA -0.738 55.065 55.803 -0.000 0.000 0.873 390 Q CB 1.496 30.235 28.738 0.003 0.000 1.312 390 Q HN 0.655 nan 8.270 nan 0.000 0.450 391 D N 1.331 121.753 120.400 0.038 0.000 2.190 391 D HA -0.131 4.509 4.640 -0.001 0.000 0.200 391 D C 1.452 177.772 176.300 0.032 0.000 0.992 391 D CA 1.668 55.702 54.000 0.056 0.000 0.854 391 D CB -0.039 40.818 40.800 0.094 0.000 0.936 391 D HN 0.823 nan 8.370 nan 0.000 0.462 392 G N -0.394 108.418 108.800 0.020 0.000 2.744 392 G HA2 -0.003 3.957 3.960 -0.001 0.000 0.211 392 G HA3 -0.003 3.957 3.960 -0.001 0.000 0.211 392 G C 0.712 175.612 174.900 0.000 0.000 1.143 392 G CA -0.189 44.918 45.100 0.012 0.000 0.788 392 G HN 0.166 nan 8.290 nan 0.000 0.534 393 M N 0.619 120.211 119.600 -0.015 0.000 2.243 393 M HA 0.154 4.633 4.480 -0.001 0.000 0.341 393 M C 1.811 178.095 176.300 -0.027 0.000 1.130 393 M CA -0.148 55.130 55.300 -0.036 0.000 1.162 393 M CB 1.062 33.617 32.600 -0.075 0.000 1.497 393 M HN -0.065 nan 8.290 nan 0.000 0.456 394 T N 2.454 116.999 114.554 -0.015 0.000 2.684 394 T HA -0.142 4.208 4.350 -0.001 0.000 0.267 394 T C 1.540 176.234 174.700 -0.009 0.000 1.036 394 T CA 1.806 63.922 62.100 0.027 0.000 1.148 394 T CB -0.476 68.443 68.868 0.085 0.000 0.863 394 T HN 0.783 nan 8.240 nan 0.000 0.436 395 I N -0.338 120.190 120.570 -0.070 0.000 2.916 395 I HA 0.168 4.338 4.170 -0.001 0.000 0.267 395 I C 2.224 178.271 176.117 -0.116 0.000 1.263 395 I CA 0.901 62.119 61.300 -0.136 0.000 1.471 395 I CB -0.391 37.488 38.000 -0.200 0.000 1.089 395 I HN 0.098 nan 8.210 nan 0.000 0.468 396 A N 1.002 123.775 122.820 -0.078 0.000 2.220 396 A HA 0.188 4.508 4.320 -0.001 0.000 0.211 396 A C 2.153 179.736 177.584 -0.001 0.000 1.176 396 A CA 0.181 52.187 52.037 -0.053 0.000 0.834 396 A CB -0.035 18.936 19.000 -0.050 0.000 0.868 396 A HN 0.440 nan 8.150 nan 0.000 0.488 397 K N -0.319 120.088 120.400 0.012 0.000 2.367 397 K HA 0.162 4.481 4.320 -0.001 0.000 0.198 397 K C -0.123 176.547 176.600 0.118 0.000 1.132 397 K CA 0.220 56.547 56.287 0.066 0.000 0.941 397 K CB 0.537 33.068 32.500 0.051 0.000 1.052 397 K HN 0.403 nan 8.250 nan 0.000 0.507 398 E N 1.954 122.182 120.200 0.047 0.000 2.231 398 E HA 0.081 4.431 4.350 -0.001 0.000 0.277 398 E C -0.941 175.587 176.600 -0.121 0.000 0.999 398 E CA -0.331 56.098 56.400 0.049 0.000 0.827 398 E CB 1.621 31.369 29.700 0.081 0.000 1.101 398 E HN 0.074 nan 8.360 nan 0.000 0.393 399 E N 3.066 123.236 120.200 -0.050 0.000 2.328 399 E HA -0.022 4.328 4.350 -0.001 0.000 0.265 399 E C 0.287 176.778 176.600 -0.181 0.000 1.057 399 E CA 0.016 56.349 56.400 -0.112 0.000 0.916 399 E CB 0.375 29.999 29.700 -0.126 0.000 0.993 399 E HN 0.527 nan 8.360 nan 0.000 0.446 400 I N 4.388 124.826 120.570 -0.219 0.000 2.400 400 I HA -0.071 4.098 4.170 -0.001 0.000 0.248 400 I C 0.493 176.726 176.117 0.195 0.000 1.109 400 I CA 0.067 61.233 61.300 -0.223 0.000 1.425 400 I CB 0.066 37.929 38.000 -0.229 0.000 1.094 400 I HN 0.680 nan 8.210 nan 0.000 0.425 401 F N 1.550 121.478 119.950 -0.038 0.000 3.080 401 F HA -0.172 4.354 4.527 -0.001 0.000 0.292 401 F C 0.439 176.275 175.800 0.060 0.000 0.891 401 F CA 0.630 58.650 58.000 0.032 0.000 1.086 401 F CB -1.404 37.660 39.000 0.108 0.000 1.095 401 F HN 0.158 nan 8.300 nan 0.000 0.633 402 G N -0.633 108.193 108.800 0.044 0.000 2.727 402 G HA2 0.656 4.615 3.960 -0.001 0.000 0.289 402 G HA3 0.656 4.615 3.960 -0.001 0.000 0.289 402 G C -2.951 171.917 174.900 -0.053 0.000 1.418 402 G CA -0.761 44.354 45.100 0.026 0.000 0.818 402 G HN -0.141 nan 8.290 nan 0.000 0.486 403 P HA 0.255 nan 4.420 nan 0.000 0.225 403 P C -0.613 176.704 177.300 0.030 0.000 1.768 403 P CA -0.053 63.082 63.100 0.058 0.000 0.943 403 P CB 0.165 32.051 31.700 0.310 0.000 1.936 404 V N 2.923 122.755 119.914 -0.136 0.000 2.409 404 V HA 0.361 4.481 4.120 -0.001 0.000 0.290 404 V C 0.274 176.272 176.094 -0.159 0.000 1.017 404 V CA -0.667 61.606 62.300 -0.045 0.000 0.841 404 V CB 1.951 33.829 31.823 0.092 0.000 1.003 404 V HN 0.296 nan 8.190 nan 0.000 0.426 405 M N 4.086 123.591 119.600 -0.157 0.000 2.264 405 M HA 0.613 5.093 4.480 -0.001 0.000 0.352 405 M C -0.881 175.443 176.300 0.040 0.000 1.173 405 M CA -0.327 54.880 55.300 -0.154 0.000 1.075 405 M CB 1.559 34.058 32.600 -0.168 0.000 1.621 405 M HN 0.631 nan 8.290 nan 0.000 0.457 406 Q N 5.016 124.818 119.800 0.003 0.000 2.333 406 Q HA 0.593 4.932 4.340 -0.001 0.000 0.265 406 Q C -1.293 174.709 176.000 0.003 0.000 0.989 406 Q CA -0.012 55.813 55.803 0.037 0.000 0.842 406 Q CB 1.934 30.649 28.738 -0.038 0.000 1.262 406 Q HN 0.700 nan 8.270 nan 0.000 0.451 407 I N 4.095 124.708 120.570 0.072 0.000 2.382 407 I HA 0.385 4.555 4.170 -0.001 0.000 0.286 407 I C -0.963 175.236 176.117 0.137 0.000 1.002 407 I CA -0.901 60.458 61.300 0.097 0.000 1.135 407 I CB 0.866 38.964 38.000 0.163 0.000 1.288 407 I HN 0.328 nan 8.210 nan 0.000 0.448 408 L N 6.382 127.613 121.223 0.013 0.000 2.330 408 L HA 0.535 4.875 4.340 -0.001 0.000 0.271 408 L C -0.056 176.920 176.870 0.177 0.000 1.013 408 L CA -0.475 54.363 54.840 -0.004 0.000 0.816 408 L CB 1.356 43.213 42.059 -0.337 0.000 1.287 408 L HN 0.461 nan 8.230 nan 0.000 0.435 409 K N 1.903 122.338 120.400 0.057 0.000 2.164 409 K HA 0.698 5.018 4.320 -0.001 0.000 0.258 409 K C -1.439 175.286 176.600 0.207 0.000 0.951 409 K CA -0.482 55.788 56.287 -0.030 0.000 0.844 409 K CB 1.274 33.443 32.500 -0.552 0.000 1.099 409 K HN 0.539 nan 8.250 nan 0.000 0.435 410 F N 1.066 121.056 119.950 0.066 0.000 2.643 410 F HA 0.456 4.983 4.527 -0.001 0.000 0.314 410 F C 0.158 175.975 175.800 0.028 0.000 1.096 410 F CA -0.923 57.119 58.000 0.070 0.000 0.953 410 F CB 1.623 40.691 39.000 0.112 0.000 1.345 410 F HN 0.518 nan 8.300 nan 0.000 0.468 411 K N 0.040 120.459 120.400 0.031 0.000 2.266 411 K HA 0.212 4.531 4.320 -0.001 0.000 0.209 411 K C 0.272 176.880 176.600 0.013 0.000 1.065 411 K CA 0.994 57.225 56.287 -0.094 0.000 0.946 411 K CB 0.254 32.742 32.500 -0.020 0.000 1.069 411 K HN 0.899 nan 8.250 nan 0.000 0.472 412 T N -1.884 112.786 114.554 0.193 0.000 2.945 412 T HA 0.256 4.606 4.350 -0.001 0.000 0.286 412 T C 1.170 176.030 174.700 0.266 0.000 1.025 412 T CA -0.825 61.380 62.100 0.175 0.000 1.039 412 T CB 1.462 70.378 68.868 0.080 0.000 1.068 412 T HN 0.208 nan 8.240 nan 0.000 0.497 413 I N 0.388 121.041 120.570 0.137 0.000 2.394 413 I HA -0.081 4.088 4.170 -0.001 0.000 0.251 413 I C 2.087 178.227 176.117 0.039 0.000 1.136 413 I CA 1.422 62.754 61.300 0.054 0.000 1.425 413 I CB -0.024 37.910 38.000 -0.110 0.000 1.079 413 I HN 0.759 nan 8.210 nan 0.000 0.425 414 E N 0.652 120.881 120.200 0.048 0.000 2.072 414 E HA -0.273 4.077 4.350 -0.001 0.000 0.191 414 E C 1.959 178.579 176.600 0.033 0.000 0.985 414 E CA 1.367 57.820 56.400 0.088 0.000 0.801 414 E CB -0.240 29.504 29.700 0.072 0.000 0.750 414 E HN 0.528 nan 8.360 nan 0.000 0.452 415 E N 0.554 120.773 120.200 0.032 0.000 2.031 415 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 415 E C 2.113 178.648 176.600 -0.108 0.000 0.994 415 E CA 1.251 57.656 56.400 0.009 0.000 0.800 415 E CB -0.091 29.660 29.700 0.085 0.000 0.752 415 E HN 0.161 nan 8.360 nan 0.000 0.447 416 V N 0.488 120.265 119.914 -0.228 0.000 2.490 416 V HA -0.199 3.921 4.120 -0.001 0.000 0.250 416 V C 2.320 178.105 176.094 -0.515 0.000 1.061 416 V CA 1.428 63.347 62.300 -0.636 0.000 1.064 416 V CB 0.007 31.068 31.823 -1.270 0.000 0.670 416 V HN 0.234 nan 8.190 nan 0.000 0.461 417 V N 0.572 120.330 119.914 -0.260 0.000 2.295 417 V HA -0.157 3.962 4.120 -0.001 0.000 0.246 417 V C 2.668 178.663 176.094 -0.165 0.000 1.049 417 V CA 2.217 64.413 62.300 -0.174 0.000 1.024 417 V CB -1.384 30.412 31.823 -0.044 0.000 0.648 417 V HN 0.627 nan 8.190 nan 0.000 0.447 418 G N -0.407 108.320 108.800 -0.122 0.000 2.418 418 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.217 418 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.217 418 G C 1.754 176.596 174.900 -0.097 0.000 1.158 418 G CA 0.664 45.713 45.100 -0.085 0.000 0.771 418 G HN 0.443 nan 8.290 nan 0.000 0.545 419 R N 0.428 120.836 120.500 -0.154 0.000 2.075 419 R HA 0.119 4.459 4.340 -0.001 0.000 0.232 419 R C 3.028 179.252 176.300 -0.127 0.000 1.126 419 R CA 1.016 57.046 56.100 -0.115 0.000 0.963 419 R CB -0.344 29.878 30.300 -0.131 0.000 0.858 419 R HN 0.335 nan 8.270 nan 0.000 0.435 420 A N 1.646 124.259 122.820 -0.345 0.000 1.902 420 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 420 A C 1.665 179.215 177.584 -0.057 0.000 1.181 420 A CA 1.488 53.397 52.037 -0.214 0.000 0.623 420 A CB -0.350 18.456 19.000 -0.323 0.000 0.818 420 A HN 0.226 nan 8.150 nan 0.000 0.443 421 N N 0.222 118.871 118.700 -0.084 0.000 2.457 421 N HA -0.064 4.676 4.740 -0.001 0.000 0.180 421 N C 0.372 175.874 175.510 -0.013 0.000 1.050 421 N CA 0.368 53.390 53.050 -0.047 0.000 0.906 421 N CB -0.498 37.951 38.487 -0.064 0.000 0.968 421 N HN 0.401 nan 8.380 nan 0.000 0.445 422 N N 1.155 119.852 118.700 -0.005 0.000 2.744 422 N HA 0.014 4.753 4.740 -0.001 0.000 0.290 422 N C -1.249 174.279 175.510 0.031 0.000 1.206 422 N CA 0.175 53.231 53.050 0.010 0.000 1.119 422 N CB -0.313 38.184 38.487 0.016 0.000 1.449 422 N HN -0.066 nan 8.380 nan 0.000 0.514 423 S N 0.081 115.793 115.700 0.020 0.000 2.552 423 S HA 0.270 4.740 4.470 -0.001 0.000 0.272 423 S C 0.583 175.165 174.600 -0.030 0.000 1.150 423 S CA -0.604 57.608 58.200 0.020 0.000 0.849 423 S CB 0.621 63.880 63.200 0.098 0.000 1.113 423 S HN 0.256 nan 8.310 nan 0.000 0.458 424 T N 2.487 116.956 114.554 -0.141 0.000 3.113 424 T HA 0.208 4.557 4.350 -0.001 0.000 0.256 424 T C -0.206 174.362 174.700 -0.219 0.000 1.131 424 T CA 0.962 62.930 62.100 -0.221 0.000 1.074 424 T CB -0.354 68.312 68.868 -0.336 0.000 0.944 424 T HN 0.522 nan 8.240 nan 0.000 0.516 425 Y N -0.324 119.997 120.300 0.034 0.000 2.488 425 Y HA 0.584 5.134 4.550 -0.001 0.000 0.325 425 Y C 1.124 177.043 175.900 0.030 0.000 1.204 425 Y CA -1.091 57.033 58.100 0.040 0.000 1.229 425 Y CB 1.778 40.267 38.460 0.049 0.000 1.274 425 Y HN -0.042 nan 8.280 nan 0.000 0.493 426 G N 1.201 110.131 108.800 0.216 0.000 5.312 426 G HA2 0.094 4.053 3.960 -0.001 0.000 0.204 426 G HA3 0.094 4.053 3.960 -0.001 0.000 0.204 426 G C -0.248 174.649 174.900 -0.004 0.000 1.097 426 G CA -0.269 44.873 45.100 0.070 0.000 0.621 426 G HN 0.552 nan 8.290 nan 0.000 0.290 427 L N 0.577 121.804 121.223 0.007 0.000 2.049 427 L HA 0.741 5.081 4.340 -0.001 0.000 0.203 427 L C 1.166 177.914 176.870 -0.203 0.000 1.074 427 L CA 2.349 57.136 54.840 -0.089 0.000 0.749 427 L CB -0.031 42.035 42.059 0.011 0.000 0.907 427 L HN 0.506 nan 8.230 nan 0.000 0.439 428 A N -2.171 120.590 122.820 -0.098 0.000 2.568 428 A HA 0.903 5.223 4.320 -0.001 0.000 0.291 428 A C -1.470 176.074 177.584 -0.067 0.000 1.159 428 A CA -0.116 51.804 52.037 -0.195 0.000 0.679 428 A CB 0.822 19.745 19.000 -0.128 0.000 1.285 428 A HN 0.556 nan 8.150 nan 0.000 0.428 429 A N -1.424 121.334 122.820 -0.104 0.000 2.586 429 A HA 0.956 5.276 4.320 -0.001 0.000 0.291 429 A C -0.717 176.957 177.584 0.150 0.000 1.062 429 A CA 0.154 52.240 52.037 0.081 0.000 0.666 429 A CB 0.439 19.424 19.000 -0.025 0.000 1.281 429 A HN 2.661 nan 8.150 nan 0.000 0.421 430 A N -0.198 122.829 122.820 0.345 0.000 2.556 430 A HA 0.833 5.153 4.320 -0.001 0.000 0.294 430 A C -1.431 176.367 177.584 0.356 0.000 1.091 430 A CA -0.527 51.766 52.037 0.427 0.000 0.704 430 A CB 1.659 21.160 19.000 0.835 0.000 1.300 430 A HN 1.803 nan 8.150 nan 0.000 0.406 431 V N 0.960 121.030 119.914 0.259 0.000 2.577 431 V HA 0.543 4.662 4.120 -0.001 0.000 0.303 431 V C -1.591 174.577 176.094 0.123 0.000 1.042 431 V CA -0.239 62.191 62.300 0.218 0.000 0.872 431 V CB 1.411 33.296 31.823 0.102 0.000 0.998 431 V HN 0.707 nan 8.190 nan 0.000 0.423 432 F N 2.829 122.892 119.950 0.189 0.000 2.403 432 F HA 0.775 5.302 4.527 -0.001 0.000 0.355 432 F C 0.332 176.239 175.800 0.179 0.000 1.119 432 F CA -0.184 57.941 58.000 0.209 0.000 1.007 432 F CB 2.034 41.169 39.000 0.225 0.000 1.194 432 F HN 0.534 nan 8.300 nan 0.000 0.443 433 T N 2.022 116.705 114.554 0.215 0.000 2.827 433 T HA 0.278 4.627 4.350 -0.001 0.000 0.328 433 T C 0.033 174.802 174.700 0.115 0.000 1.598 433 T CA -0.686 61.515 62.100 0.169 0.000 1.043 433 T CB 1.433 70.381 68.868 0.133 0.000 1.447 433 T HN 0.632 nan 8.240 nan 0.000 0.491 434 K N 0.679 121.139 120.400 0.100 0.000 2.354 434 K HA 0.191 4.510 4.320 -0.001 0.000 0.194 434 K C -0.163 176.465 176.600 0.048 0.000 1.038 434 K CA -0.087 56.241 56.287 0.067 0.000 1.052 434 K CB 0.262 32.801 32.500 0.065 0.000 0.861 434 K HN 0.508 nan 8.250 nan 0.000 0.535 435 D N 0.973 121.404 120.400 0.052 0.000 2.312 435 D HA 0.013 4.653 4.640 -0.001 0.000 0.252 435 D C 0.862 177.183 176.300 0.036 0.000 1.150 435 D CA -0.275 53.748 54.000 0.038 0.000 0.870 435 D CB 1.057 41.878 40.800 0.035 0.000 1.153 435 D HN -0.161 nan 8.370 nan 0.000 0.457 436 L N 4.172 125.412 121.223 0.029 0.000 1.989 436 L HA -0.134 4.205 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 1.948 56.804 54.840 0.028 0.000 0.749 436 L CB -0.499 41.573 42.059 0.022 0.000 0.890 436 L HN 0.512 nan 8.230 nan 0.000 0.431 437 D N -0.220 120.202 120.400 0.036 0.000 2.104 437 D HA -0.191 4.448 4.640 -0.001 0.000 0.194 437 D C 2.190 178.532 176.300 0.070 0.000 0.994 437 D CA 1.484 55.514 54.000 0.050 0.000 0.830 437 D CB -0.113 40.706 40.800 0.031 0.000 0.959 437 D HN 0.408 nan 8.370 nan 0.000 0.452 438 K N 0.596 121.020 120.400 0.040 0.000 2.057 438 K HA -0.062 4.257 4.320 -0.001 0.000 0.207 438 K C 2.144 178.804 176.600 0.099 0.000 1.049 438 K CA 1.170 57.482 56.287 0.042 0.000 0.931 438 K CB -0.094 32.422 32.500 0.028 0.000 0.714 438 K HN 0.036 nan 8.250 nan 0.000 0.440 439 A N 2.024 124.888 122.820 0.074 0.000 1.877 439 A HA -0.194 4.125 4.320 -0.001 0.000 0.216 439 A C 1.863 179.484 177.584 0.062 0.000 1.186 439 A CA 1.676 53.750 52.037 0.061 0.000 0.620 439 A CB -0.478 18.544 19.000 0.037 0.000 0.822 439 A HN 0.224 nan 8.150 nan 0.000 0.443 440 N N -1.649 117.092 118.700 0.067 0.000 2.188 440 N HA -0.139 4.601 4.740 -0.001 0.000 0.184 440 N C 1.584 177.142 175.510 0.079 0.000 1.018 440 N CA 1.546 54.629 53.050 0.055 0.000 0.858 440 N CB -0.544 37.971 38.487 0.047 0.000 0.989 440 N HN 0.705 nan 8.380 nan 0.000 0.426 441 Y N 1.530 121.822 120.300 -0.013 0.000 2.145 441 Y HA -0.098 4.451 4.550 -0.001 0.000 0.286 441 Y C 2.191 178.071 175.900 -0.032 0.000 1.145 441 Y CA 1.391 59.480 58.100 -0.018 0.000 1.148 441 Y CB -0.261 38.194 38.460 -0.009 0.000 0.981 441 Y HN -0.053 nan 8.280 nan 0.000 0.507 442 L N -0.313 121.047 121.223 0.228 0.000 2.044 442 L HA -0.193 4.146 4.340 -0.001 0.000 0.205 442 L C 2.800 179.652 176.870 -0.030 0.000 1.075 442 L CA 1.448 56.346 54.840 0.097 0.000 0.747 442 L CB -0.862 41.264 42.059 0.111 0.000 0.903 442 L HN 0.350 nan 8.230 nan 0.000 0.435 443 S N -0.716 114.968 115.700 -0.027 0.000 2.400 443 S HA -0.318 4.152 4.470 -0.001 0.000 0.232 443 S C 1.909 176.444 174.600 -0.109 0.000 1.025 443 S CA 1.599 59.753 58.200 -0.076 0.000 0.993 443 S CB -0.432 62.732 63.200 -0.061 0.000 0.808 443 S HN 0.525 nan 8.310 nan 0.000 0.478 444 Q N 1.148 120.886 119.800 -0.105 0.000 2.096 444 Q HA 0.119 4.458 4.340 -0.001 0.000 0.197 444 Q C 2.256 178.159 176.000 -0.161 0.000 0.964 444 Q CA 1.060 56.789 55.803 -0.124 0.000 0.838 444 Q CB -0.497 28.168 28.738 -0.122 0.000 0.906 444 Q HN 0.692 nan 8.270 nan 0.000 0.444 445 A N 0.708 123.398 122.820 -0.216 0.000 2.014 445 A HA 0.078 4.397 4.320 -0.001 0.000 0.218 445 A C 0.912 178.392 177.584 -0.174 0.000 1.163 445 A CA 0.193 52.093 52.037 -0.229 0.000 0.652 445 A CB -0.339 18.456 19.000 -0.342 0.000 0.808 445 A HN 0.371 nan 8.150 nan 0.000 0.449 446 L N 1.034 122.154 121.223 -0.172 0.000 2.418 446 L HA 0.068 4.408 4.340 -0.001 0.000 0.274 446 L C 0.047 176.755 176.870 -0.270 0.000 1.135 446 L CA -0.169 54.558 54.840 -0.189 0.000 0.870 446 L CB 0.537 42.491 42.059 -0.174 0.000 1.154 446 L HN 0.387 nan 8.230 nan 0.000 0.462 447 Q N 3.907 123.556 119.800 -0.253 0.000 2.844 447 Q HA 0.479 4.818 4.340 -0.001 0.000 0.235 447 Q C -0.315 175.300 176.000 -0.642 0.000 1.336 447 Q CA -0.260 55.328 55.803 -0.358 0.000 1.026 447 Q CB 0.589 29.282 28.738 -0.075 0.000 1.513 447 Q HN 0.687 nan 8.270 nan 0.000 0.577 448 A N -0.109 122.104 122.820 -1.013 0.000 2.515 448 A HA 0.661 4.981 4.320 -0.001 0.000 0.298 448 A C 0.890 177.909 177.584 -0.941 0.000 1.059 448 A CA -0.416 51.126 52.037 -0.825 0.000 0.698 448 A CB 1.247 19.992 19.000 -0.424 0.000 1.289 448 A HN 0.538 nan 8.150 nan 0.000 0.404 449 G N 0.271 108.762 108.800 -0.516 0.000 2.440 449 G HA2 0.219 4.179 3.960 -0.001 0.000 0.218 449 G HA3 0.219 4.179 3.960 -0.001 0.000 0.218 449 G C 0.551 175.211 174.900 -0.400 0.000 1.154 449 G CA 1.771 46.710 45.100 -0.268 0.000 0.767 449 G HN 0.860 nan 8.290 nan 0.000 0.552 450 T N -0.333 113.896 114.554 -0.541 0.000 2.879 450 T HA 0.514 4.863 4.350 -0.001 0.000 0.290 450 T C -1.089 173.136 174.700 -0.792 0.000 0.993 450 T CA -0.428 61.258 62.100 -0.689 0.000 0.975 450 T CB 2.689 71.025 68.868 -0.888 0.000 0.981 450 T HN -0.067 nan 8.240 nan 0.000 0.439 451 V N 3.892 123.411 119.914 -0.659 0.000 2.409 451 V HA 0.469 4.589 4.120 -0.001 0.000 0.291 451 V C -0.729 175.089 176.094 -0.460 0.000 1.020 451 V CA -0.968 61.047 62.300 -0.475 0.000 0.848 451 V CB 1.388 33.048 31.823 -0.272 0.000 0.990 451 V HN 0.761 nan 8.190 nan 0.000 0.430 452 W N 3.596 124.805 121.300 -0.153 0.000 2.469 452 W HA 0.647 5.307 4.660 -0.001 0.000 0.320 452 W C -0.643 175.801 176.519 -0.125 0.000 1.086 452 W CA -0.720 56.534 57.345 -0.152 0.000 1.211 452 W CB 1.940 31.279 29.460 -0.203 0.000 1.298 452 W HN 0.259 nan 8.180 nan 0.000 0.525 453 V N 4.806 124.766 119.914 0.078 0.000 2.378 453 V HA 0.146 4.266 4.120 -0.001 0.000 0.288 453 V C 0.191 176.175 176.094 -0.185 0.000 1.016 453 V CA -0.880 61.380 62.300 -0.066 0.000 0.840 453 V CB 1.082 32.887 31.823 -0.031 0.000 0.994 453 V HN 0.681 nan 8.190 nan 0.000 0.431 454 N N 1.972 120.317 118.700 -0.591 0.000 2.741 454 N HA -0.172 4.568 4.740 -0.001 0.000 0.250 454 N C -0.277 175.118 175.510 -0.191 0.000 1.115 454 N CA 1.286 53.933 53.050 -0.672 0.000 0.724 454 N CB -1.127 37.294 38.487 -0.109 0.000 1.090 454 N HN 1.067 nan 8.380 nan 0.000 0.558 455 C N -4.063 115.083 119.300 -0.257 0.000 3.284 455 C HA 0.814 5.274 4.460 -0.001 0.000 0.348 455 C C -1.122 173.968 174.990 0.168 0.000 1.448 455 C CA -1.289 57.819 59.018 0.150 0.000 1.223 455 C CB 1.823 29.630 27.740 0.113 0.000 1.588 455 C HN 0.263 nan 8.230 nan 0.000 0.451 456 Y N -0.153 120.000 120.300 -0.245 0.000 2.592 456 Y HA 0.461 5.010 4.550 -0.001 0.000 0.334 456 Y C -0.346 174.993 175.900 -0.934 0.000 1.136 456 Y CA 0.413 58.146 58.100 -0.611 0.000 1.042 456 Y CB 1.353 39.773 38.460 -0.067 0.000 1.325 456 Y HN 1.029 nan 8.280 nan 0.000 0.457 457 D N 1.867 121.194 120.400 -1.788 0.000 2.751 457 D HA -0.137 4.503 4.640 -0.001 0.000 0.233 457 D C -0.990 174.997 176.300 -0.523 0.000 1.149 457 D CA 0.943 54.457 54.000 -0.810 0.000 0.682 457 D CB -0.971 39.896 40.800 0.111 0.000 1.068 457 D HN 0.156 nan 8.370 nan 0.000 0.429 458 V N 1.559 120.905 119.914 -0.946 0.000 2.304 458 V HA 0.285 4.405 4.120 -0.001 0.000 0.262 458 V C 0.434 176.470 176.094 -0.096 0.000 1.061 458 V CA -0.313 61.824 62.300 -0.271 0.000 0.872 458 V CB -0.069 31.656 31.823 -0.163 0.000 1.077 458 V HN -0.020 nan 8.190 nan 0.000 0.480 459 F N 2.416 122.408 119.950 0.069 0.000 2.450 459 F HA 0.807 5.333 4.527 -0.001 0.000 0.332 459 F C 0.828 176.641 175.800 0.022 0.000 1.093 459 F CA -0.628 57.419 58.000 0.077 0.000 1.003 459 F CB 2.021 41.047 39.000 0.043 0.000 1.151 459 F HN 0.468 nan 8.300 nan 0.000 0.474 460 G N 0.271 109.149 108.800 0.130 0.000 2.662 460 G HA2 0.516 4.475 3.960 -0.001 0.000 0.302 460 G HA3 0.516 4.475 3.960 -0.001 0.000 0.302 460 G C 0.150 174.968 174.900 -0.136 0.000 1.389 460 G CA -0.386 44.716 45.100 0.002 0.000 0.998 460 G HN 0.876 nan 8.290 nan 0.000 0.502 461 A N 1.334 124.002 122.820 -0.253 0.000 2.076 461 A HA -0.085 4.235 4.320 -0.001 0.000 0.220 461 A C 2.103 179.106 177.584 -0.969 0.000 1.160 461 A CA 1.889 53.601 52.037 -0.541 0.000 0.653 461 A CB -0.112 18.561 19.000 -0.546 0.000 0.801 461 A HN 0.589 nan 8.150 nan 0.000 0.455 462 Q N -0.077 119.289 119.800 -0.722 0.000 2.331 462 Q HA 0.142 4.481 4.340 -0.001 0.000 0.203 462 Q C 0.353 176.292 176.000 -0.102 0.000 0.944 462 Q CA 0.744 56.271 55.803 -0.460 0.000 0.892 462 Q CB 0.110 28.753 28.738 -0.158 0.000 0.983 462 Q HN 0.464 nan 8.270 nan 0.000 0.482 463 S N 2.360 118.006 115.700 -0.091 0.000 2.442 463 S HA 0.382 4.852 4.470 -0.001 0.000 0.297 463 S C -2.470 172.127 174.600 -0.005 0.000 1.131 463 S CA -1.407 56.791 58.200 -0.003 0.000 1.092 463 S CB 1.162 64.356 63.200 -0.011 0.000 0.998 463 S HN 0.061 nan 8.310 nan 0.000 0.478 464 P HA 0.209 nan 4.420 nan 0.000 0.269 464 P C -0.983 176.316 177.300 -0.002 0.000 1.209 464 P CA -0.165 62.920 63.100 -0.024 0.000 0.776 464 P CB 0.346 31.907 31.700 -0.231 0.000 0.876 465 F N 1.372 121.237 119.950 -0.141 0.000 2.561 465 F HA 0.682 5.208 4.527 -0.001 0.000 0.313 465 F C -0.272 175.508 175.800 -0.033 0.000 1.126 465 F CA 0.211 58.158 58.000 -0.090 0.000 0.918 465 F CB 2.163 41.149 39.000 -0.024 0.000 1.199 465 F HN 0.650 nan 8.300 nan 0.000 0.444 466 G N 2.121 110.516 108.800 -0.676 0.000 2.356 466 G HA2 0.490 4.449 3.960 -0.001 0.000 0.294 466 G HA3 0.490 4.449 3.960 -0.001 0.000 0.294 466 G C -1.671 173.005 174.900 -0.375 0.000 1.423 466 G CA -0.214 44.655 45.100 -0.385 0.000 0.806 466 G HN 1.013 nan 8.290 nan 0.000 0.527 467 G N -1.472 107.236 108.800 -0.154 0.000 2.454 467 G HA2 0.619 4.579 3.960 -0.001 0.000 0.329 467 G HA3 0.619 4.579 3.960 -0.001 0.000 0.329 467 G C -1.363 173.597 174.900 0.100 0.000 1.177 467 G CA -0.553 44.525 45.100 -0.037 0.000 0.951 467 G HN 0.432 nan 8.290 nan 0.000 0.485 468 Y N 0.487 120.729 120.300 -0.098 0.000 2.392 468 Y HA 0.410 4.959 4.550 -0.001 0.000 0.323 468 Y C 1.534 177.417 175.900 -0.028 0.000 1.291 468 Y CA -0.542 57.516 58.100 -0.071 0.000 1.345 468 Y CB 1.219 39.633 38.460 -0.076 0.000 1.320 468 Y HN 0.852 nan 8.280 nan 0.000 0.518 469 K N -0.432 120.028 120.400 0.100 0.000 1.824 469 K HA -0.341 3.979 4.320 -0.001 0.000 0.120 469 K C 0.753 177.381 176.600 0.046 0.000 1.268 469 K CA 2.111 58.430 56.287 0.053 0.000 0.420 469 K CB -1.061 31.479 32.500 0.067 0.000 0.586 469 K HN 0.676 nan 8.250 nan 0.000 0.907 470 M N 0.927 120.557 119.600 0.049 0.000 2.568 470 M HA 0.036 4.516 4.480 -0.001 0.000 0.226 470 M C 0.935 177.342 176.300 0.178 0.000 1.148 470 M CA 0.425 55.763 55.300 0.063 0.000 1.007 470 M CB 0.327 32.913 32.600 -0.023 0.000 1.651 470 M HN 0.288 nan 8.290 nan 0.000 0.488 471 S N 0.563 116.386 115.700 0.205 0.000 2.603 471 S HA 0.322 4.792 4.470 -0.001 0.000 0.220 471 S C 0.824 175.498 174.600 0.124 0.000 0.967 471 S CA 0.439 58.766 58.200 0.212 0.000 0.920 471 S CB 0.084 63.386 63.200 0.170 0.000 0.773 471 S HN 0.755 nan 8.310 nan 0.000 0.529 472 G N 0.656 109.515 108.800 0.098 0.000 2.346 472 G HA2 0.275 4.235 3.960 -0.001 0.000 0.294 472 G HA3 0.275 4.235 3.960 -0.001 0.000 0.294 472 G C -1.217 173.698 174.900 0.025 0.000 1.294 472 G CA -0.412 44.732 45.100 0.073 0.000 0.962 472 G HN 0.704 nan 8.290 nan 0.000 0.508 473 S N -1.154 114.555 115.700 0.015 0.000 2.536 473 S HA 0.985 5.455 4.470 -0.001 0.000 0.271 473 S C 0.342 174.929 174.600 -0.022 0.000 1.134 473 S CA 0.549 58.735 58.200 -0.023 0.000 0.897 473 S CB 1.528 64.714 63.200 -0.024 0.000 1.094 473 S HN 3.045 nan 8.310 nan 0.000 0.473 474 G N 1.887 110.659 108.800 -0.047 0.000 2.756 474 G HA2 0.132 4.092 3.960 -0.001 0.000 0.678 474 G HA3 0.132 4.092 3.960 -0.001 0.000 0.678 474 G C -1.413 173.470 174.900 -0.029 0.000 1.349 474 G CA -1.003 44.075 45.100 -0.036 0.000 0.847 474 G HN 0.846 nan 8.290 nan 0.000 0.548 475 R N 0.199 120.696 120.500 -0.005 0.000 2.725 475 R HA 0.619 4.958 4.340 -0.001 0.000 0.277 475 R C -0.244 176.095 176.300 0.065 0.000 0.987 475 R CA -0.736 55.364 56.100 0.001 0.000 0.901 475 R CB 1.890 32.156 30.300 -0.056 0.000 1.207 475 R HN 0.767 nan 8.270 nan 0.000 0.463 476 E N 1.545 121.792 120.200 0.079 0.000 2.281 476 E HA 0.626 4.975 4.350 -0.001 0.000 0.262 476 E C -0.335 176.275 176.600 0.017 0.000 0.933 476 E CA -0.917 55.530 56.400 0.079 0.000 0.809 476 E CB 1.757 31.514 29.700 0.094 0.000 1.242 476 E HN 0.323 nan 8.360 nan 0.000 0.418 477 L N -0.142 121.110 121.223 0.048 0.000 0.585 477 L HA -0.258 4.082 4.340 -0.001 0.000 0.356 477 L C 0.610 177.585 176.870 0.175 0.000 0.963 477 L CA 0.720 55.581 54.840 0.036 0.000 1.223 477 L CB -1.323 40.579 42.059 -0.262 0.000 0.011 477 L HN 1.004 nan 8.230 nan 0.000 0.091 478 G N 0.297 109.155 108.800 0.096 0.000 2.697 478 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.240 478 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.240 478 G C 0.406 175.522 174.900 0.360 0.000 1.346 478 G CA 0.897 46.164 45.100 0.278 0.000 0.887 478 G HN 1.142 nan 8.290 nan 0.000 0.569 479 E N -1.022 119.321 120.200 0.240 0.000 2.150 479 E HA -0.079 4.270 4.350 -0.001 0.000 0.193 479 E C 2.175 178.596 176.600 -0.298 0.000 0.985 479 E CA 1.528 57.756 56.400 -0.286 0.000 0.814 479 E CB -0.135 29.427 29.700 -0.230 0.000 0.752 479 E HN 0.626 nan 8.360 nan 0.000 0.466 480 Y N -0.080 120.204 120.300 -0.026 0.000 2.256 480 Y HA -0.108 4.441 4.550 -0.001 0.000 0.288 480 Y C 2.414 178.292 175.900 -0.037 0.000 1.155 480 Y CA 1.111 59.198 58.100 -0.022 0.000 1.203 480 Y CB -0.610 37.855 38.460 0.008 0.000 0.980 480 Y HN 0.160 nan 8.280 nan 0.000 0.530 481 G N -0.331 108.571 108.800 0.169 0.000 2.559 481 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.216 481 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.216 481 G C 1.394 176.315 174.900 0.036 0.000 1.126 481 G CA 0.654 45.841 45.100 0.146 0.000 0.778 481 G HN 0.409 nan 8.290 nan 0.000 0.543 482 L N -0.683 120.426 121.223 -0.189 0.000 2.375 482 L HA 0.084 4.424 4.340 -0.001 0.000 0.215 482 L C 2.868 179.580 176.870 -0.264 0.000 1.108 482 L CA 0.190 54.789 54.840 -0.401 0.000 0.830 482 L CB -0.280 41.081 42.059 -1.164 0.000 0.959 482 L HN 0.199 nan 8.230 nan 0.000 0.457 483 Q N 0.788 120.501 119.800 -0.145 0.000 2.077 483 Q HA -0.221 4.118 4.340 -0.001 0.000 0.206 483 Q C 2.376 178.327 176.000 -0.081 0.000 0.989 483 Q CA 1.913 57.698 55.803 -0.030 0.000 0.853 483 Q CB -0.334 28.413 28.738 0.015 0.000 0.907 483 Q HN 0.566 nan 8.270 nan 0.000 0.418 484 A N -0.298 122.425 122.820 -0.163 0.000 2.168 484 A HA -0.102 4.217 4.320 -0.001 0.000 0.215 484 A C 0.857 178.139 177.584 -0.504 0.000 1.152 484 A CA 0.737 52.574 52.037 -0.333 0.000 0.716 484 A CB -0.298 18.443 19.000 -0.432 0.000 0.794 484 A HN 0.415 nan 8.150 nan 0.000 0.465 485 Y N -0.290 119.969 120.300 -0.069 0.000 2.571 485 Y HA 0.216 4.766 4.550 -0.001 0.000 0.275 485 Y C 0.258 176.145 175.900 -0.020 0.000 1.179 485 Y CA 0.008 58.075 58.100 -0.055 0.000 1.242 485 Y CB 0.481 38.890 38.460 -0.084 0.000 1.126 485 Y HN 0.062 nan 8.280 nan 0.000 0.524 486 T N 0.173 114.754 114.554 0.045 0.000 2.861 486 T HA 0.351 4.701 4.350 -0.001 0.000 0.287 486 T C -1.046 173.650 174.700 -0.007 0.000 1.003 486 T CA -0.700 61.433 62.100 0.055 0.000 0.977 486 T CB 2.037 70.946 68.868 0.069 0.000 0.996 486 T HN -0.064 nan 8.240 nan 0.000 0.448 487 E N 2.193 122.406 120.200 0.022 0.000 2.165 487 E HA 0.507 4.856 4.350 -0.001 0.000 0.266 487 E C -1.033 175.569 176.600 0.004 0.000 0.889 487 E CA -0.600 55.804 56.400 0.007 0.000 0.756 487 E CB 0.964 30.689 29.700 0.042 0.000 1.131 487 E HN 0.340 nan 8.360 nan 0.000 0.411 488 V N 5.308 125.203 119.914 -0.031 0.000 2.461 488 V HA 0.302 4.422 4.120 -0.001 0.000 0.275 488 V C 0.182 176.283 176.094 0.010 0.000 1.047 488 V CA -0.390 61.905 62.300 -0.008 0.000 0.955 488 V CB 0.994 32.791 31.823 -0.043 0.000 0.988 488 V HN 0.569 nan 8.190 nan 0.000 0.471 489 K N 3.192 123.611 120.400 0.031 0.000 2.323 489 K HA 0.528 4.848 4.320 -0.001 0.000 0.259 489 K C -0.676 175.884 176.600 -0.067 0.000 0.947 489 K CA -0.390 55.888 56.287 -0.015 0.000 0.819 489 K CB 1.653 34.151 32.500 -0.003 0.000 1.109 489 K HN 0.692 nan 8.250 nan 0.000 0.429 490 T N 2.960 117.442 114.554 -0.119 0.000 2.767 490 T HA 0.309 4.659 4.350 -0.001 0.000 0.288 490 T C -0.767 173.744 174.700 -0.316 0.000 0.963 490 T CA -0.535 61.442 62.100 -0.205 0.000 1.019 490 T CB 1.196 69.968 68.868 -0.160 0.000 0.923 490 T HN 0.299 nan 8.240 nan 0.000 0.468 491 V N 4.069 123.634 119.914 -0.581 0.000 2.409 491 V HA 0.466 4.585 4.120 -0.001 0.000 0.291 491 V C 0.070 175.769 176.094 -0.657 0.000 1.020 491 V CA -0.716 61.179 62.300 -0.674 0.000 0.848 491 V CB 1.772 32.969 31.823 -1.043 0.000 0.990 491 V HN 0.960 nan 8.190 nan 0.000 0.430 492 T N 4.631 118.969 114.554 -0.360 0.000 2.833 492 T HA 0.546 4.895 4.350 -0.001 0.000 0.297 492 T C -0.372 174.287 174.700 -0.070 0.000 1.015 492 T CA -0.361 61.599 62.100 -0.234 0.000 0.963 492 T CB 1.401 70.122 68.868 -0.245 0.000 0.955 492 T HN 0.334 nan 8.240 nan 0.000 0.449 493 V N 3.849 123.795 119.914 0.055 0.000 2.435 493 V HA 0.451 4.570 4.120 -0.001 0.000 0.290 493 V C 0.427 176.722 176.094 0.335 0.000 1.030 493 V CA -1.167 61.247 62.300 0.190 0.000 0.881 493 V CB 1.672 33.636 31.823 0.235 0.000 0.983 493 V HN 0.750 nan 8.190 nan 0.000 0.445 494 K N 4.049 124.628 120.400 0.299 0.000 2.368 494 K HA 0.479 4.799 4.320 -0.001 0.000 0.282 494 K C -0.529 176.115 176.600 0.073 0.000 1.035 494 K CA -0.256 56.142 56.287 0.186 0.000 0.973 494 K CB 1.059 33.645 32.500 0.143 0.000 0.957 494 K HN 0.680 nan 8.250 nan 0.000 0.474 495 V N 1.910 121.806 119.914 -0.030 0.000 2.864 495 V HA 0.404 4.524 4.120 -0.001 0.000 0.314 495 V C -2.148 173.902 176.094 -0.073 0.000 1.073 495 V CA -2.034 60.259 62.300 -0.012 0.000 0.956 495 V CB 1.359 33.195 31.823 0.022 0.000 1.023 495 V HN 0.685 nan 8.190 nan 0.000 0.435 496 P HA -0.109 nan 4.420 nan 0.000 0.215 496 P C 0.111 177.368 177.300 -0.072 0.000 1.157 496 P CA 1.428 64.496 63.100 -0.054 0.000 0.874 496 P CB 0.141 31.819 31.700 -0.036 0.000 0.790 497 Q N -1.187 118.573 119.800 -0.066 0.000 2.371 497 Q HA 0.135 4.474 4.340 -0.001 0.000 0.244 497 Q C -1.083 174.884 176.000 -0.056 0.000 0.882 497 Q CA -0.739 55.024 55.803 -0.067 0.000 0.866 497 Q CB 0.975 29.683 28.738 -0.050 0.000 1.399 497 Q HN -0.226 nan 8.270 nan 0.000 0.432 498 K N 3.718 124.082 120.400 -0.060 0.000 2.368 498 K HA 0.242 4.562 4.320 -0.001 0.000 0.282 498 K C -1.148 175.440 176.600 -0.020 0.000 1.035 498 K CA 0.400 56.670 56.287 -0.029 0.000 0.973 498 K CB 0.497 32.990 32.500 -0.012 0.000 0.957 498 K HN 0.703 nan 8.250 nan 0.000 0.474 499 N N 1.325 120.015 118.700 -0.016 0.000 2.262 499 N HA 0.130 4.870 4.740 -0.001 0.000 0.295 499 N C -0.618 174.887 175.510 -0.008 0.000 1.161 499 N CA -0.467 52.574 53.050 -0.015 0.000 0.767 499 N CB 1.838 40.310 38.487 -0.024 0.000 1.499 499 N HN 0.691 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