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 1nzw_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 NQGQCSCAGS 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 0.000 177.611 177.584 0.045 0.000 1.274 7 A CA 0.000 52.069 52.037 0.054 0.000 0.836 7 A CB 0.000 19.027 19.000 0.045 0.000 0.831 8 V N 2.970 122.873 119.914 -0.020 0.000 2.378 8 V HA 0.489 4.609 4.120 -0.000 0.000 0.288 8 V C -2.203 173.794 176.094 -0.161 0.000 1.016 8 V CA -1.322 60.867 62.300 -0.184 0.000 0.840 8 V CB 1.268 33.015 31.823 -0.127 0.000 0.994 8 V HN 0.823 nan 8.190 nan 0.000 0.431 9 P HA 0.260 nan 4.420 nan 0.000 0.268 9 P C -0.017 177.281 177.300 -0.003 0.000 1.204 9 P CA 0.063 63.100 63.100 -0.104 0.000 0.768 9 P CB 0.549 32.186 31.700 -0.105 0.000 0.842 10 A N 5.629 128.448 122.820 -0.002 0.000 2.567 10 A HA 0.265 4.584 4.320 -0.000 0.000 0.240 10 A C -1.481 176.032 177.584 -0.118 0.000 1.053 10 A CA -0.503 51.514 52.037 -0.035 0.000 0.755 10 A CB -0.958 18.015 19.000 -0.046 0.000 0.978 10 A HN 0.447 nan 8.150 nan 0.000 0.507 11 P HA 0.255 nan 4.420 nan 0.000 0.297 11 P C -0.997 176.084 177.300 -0.365 0.000 1.307 11 P CA -0.726 62.047 63.100 -0.545 0.000 0.773 11 P CB 0.802 31.720 31.700 -1.303 0.000 1.265 12 N N -0.016 118.476 118.700 -0.346 0.000 2.479 12 N HA 0.085 4.824 4.740 -0.000 0.000 0.261 12 N C 0.522 175.681 175.510 -0.584 0.000 0.979 12 N CA -0.231 52.627 53.050 -0.320 0.000 0.930 12 N CB 0.981 39.382 38.487 -0.143 0.000 1.172 12 N HN 0.201 nan 8.380 nan 0.000 0.499 13 Q N 1.145 120.447 119.800 -0.830 0.000 2.541 13 Q HA 0.021 4.361 4.340 -0.000 0.000 0.215 13 Q C -0.269 175.313 176.000 -0.695 0.000 0.977 13 Q CA 0.865 55.830 55.803 -1.397 0.000 0.934 13 Q CB 0.325 28.441 28.738 -1.036 0.000 0.988 13 Q HN 0.530 nan 8.270 nan 0.000 0.521 14 Q N 0.511 120.083 119.800 -0.380 0.000 2.903 14 Q HA 0.226 4.565 4.340 -0.000 0.000 0.342 14 Q C -2.513 173.409 176.000 -0.130 0.000 0.808 14 Q CA -1.244 54.443 55.803 -0.193 0.000 1.004 14 Q CB 1.178 29.825 28.738 -0.152 0.000 1.470 14 Q HN 0.213 nan 8.270 nan 0.000 0.387 15 P HA -0.002 nan 4.420 nan 0.000 0.266 15 P C 0.028 177.281 177.300 -0.078 0.000 1.195 15 P CA 0.147 63.233 63.100 -0.023 0.000 0.768 15 P CB 1.336 33.025 31.700 -0.019 0.000 0.838 16 E N 1.385 121.502 120.200 -0.139 0.000 2.366 16 E HA 0.196 4.546 4.350 -0.000 0.000 0.266 16 E C -0.656 175.554 176.600 -0.649 0.000 1.051 16 E CA -0.632 55.551 56.400 -0.361 0.000 0.884 16 E CB 0.803 30.281 29.700 -0.371 0.000 1.006 16 E HN 0.176 nan 8.360 nan 0.000 0.417 17 V N 5.870 125.489 119.914 -0.492 0.000 2.383 17 V HA 0.116 4.236 4.120 -0.000 0.000 0.275 17 V C 0.151 176.000 176.094 -0.409 0.000 1.036 17 V CA -0.014 62.049 62.300 -0.395 0.000 0.889 17 V CB 0.728 32.438 31.823 -0.189 0.000 0.985 17 V HN 0.688 nan 8.190 nan 0.000 0.459 18 F N 1.625 121.607 119.950 0.052 0.000 2.678 18 F HA 0.235 4.762 4.527 -0.001 0.000 0.291 18 F C 0.971 176.670 175.800 -0.169 0.000 1.123 18 F CA -0.112 57.878 58.000 -0.015 0.000 1.395 18 F CB 0.373 39.417 39.000 0.074 0.000 1.121 18 F HN 0.387 nan 8.300 nan 0.000 0.592 19 C N 1.789 121.063 119.300 -0.042 0.000 2.396 19 C HA 0.445 4.905 4.460 -0.000 0.000 0.321 19 C C 0.172 174.958 174.990 -0.339 0.000 1.233 19 C CA -0.831 57.906 59.018 -0.469 0.000 1.440 19 C CB 0.610 28.027 27.740 -0.538 0.000 2.110 19 C HN 0.541 nan 8.230 nan 0.000 0.473 20 N N 0.850 119.313 118.700 -0.395 0.000 2.361 20 N HA 0.097 4.837 4.740 -0.000 0.000 0.253 20 N C -0.567 174.869 175.510 -0.124 0.000 1.413 20 N CA -0.311 52.616 53.050 -0.205 0.000 0.821 20 N CB -0.084 38.294 38.487 -0.182 0.000 1.380 20 N HN 0.804 nan 8.380 nan 0.000 0.493 21 Q N -0.214 119.555 119.800 -0.051 0.000 2.873 21 Q HA 0.578 4.917 4.340 -0.000 0.000 0.297 21 Q C -0.597 175.709 176.000 0.509 0.000 1.064 21 Q CA -1.053 54.878 55.803 0.212 0.000 0.816 21 Q CB 1.862 30.756 28.738 0.260 0.000 1.481 21 Q HN 0.117 nan 8.270 nan 0.000 0.488 22 I N 1.246 122.091 120.570 0.458 0.000 2.441 22 I HA 0.147 4.316 4.170 -0.000 0.000 0.287 22 I C -0.722 175.659 176.117 0.439 0.000 1.049 22 I CA -0.100 61.439 61.300 0.398 0.000 1.381 22 I CB 0.371 38.510 38.000 0.230 0.000 1.409 22 I HN 0.367 nan 8.210 nan 0.000 0.523 23 F N 8.242 128.234 119.950 0.070 0.000 2.334 23 F HA 0.597 5.124 4.527 -0.001 0.000 0.367 23 F C -0.411 175.283 175.800 -0.176 0.000 1.115 23 F CA -0.376 57.449 58.000 -0.291 0.000 1.116 23 F CB 0.293 38.994 39.000 -0.499 0.000 1.230 23 F HN 0.177 nan 8.300 nan 0.000 0.484 24 I N 5.330 125.625 120.570 -0.458 0.000 2.619 24 I HA 0.196 4.366 4.170 -0.000 0.000 0.292 24 I C -0.115 175.737 176.117 -0.442 0.000 1.100 24 I CA -1.097 59.963 61.300 -0.401 0.000 1.043 24 I CB 1.875 39.644 38.000 -0.386 0.000 1.239 24 I HN 0.472 nan 8.210 nan 0.000 0.420 25 N N 4.379 122.844 118.700 -0.391 0.000 2.721 25 N HA -0.216 4.524 4.740 -0.000 0.000 0.249 25 N C -0.001 175.258 175.510 -0.418 0.000 1.072 25 N CA 0.931 53.803 53.050 -0.297 0.000 0.710 25 N CB -0.695 37.703 38.487 -0.148 0.000 0.993 25 N HN 0.829 nan 8.380 nan 0.000 0.547 26 N N -1.218 116.997 118.700 -0.808 0.000 2.741 26 N HA -0.210 4.529 4.740 -0.000 0.000 0.251 26 N C -0.730 174.343 175.510 -0.729 0.000 1.112 26 N CA 1.710 54.258 53.050 -0.838 0.000 0.750 26 N CB -0.883 37.445 38.487 -0.266 0.000 1.119 26 N HN 0.719 nan 8.380 nan 0.000 0.561 27 E N -1.477 118.246 120.200 -0.796 0.000 2.343 27 E HA 0.437 4.787 4.350 -0.000 0.000 0.270 27 E C -0.676 175.611 176.600 -0.523 0.000 0.895 27 E CA -0.736 55.360 56.400 -0.507 0.000 0.767 27 E CB 1.112 30.625 29.700 -0.312 0.000 1.248 27 E HN 0.128 nan 8.360 nan 0.000 0.440 28 W N 2.004 123.222 121.300 -0.135 0.000 2.338 28 W HA 0.291 4.950 4.660 -0.000 0.000 0.307 28 W C 0.312 176.720 176.519 -0.185 0.000 1.167 28 W CA -0.263 57.075 57.345 -0.011 0.000 1.208 28 W CB 0.773 30.264 29.460 0.053 0.000 1.228 28 W HN 0.285 nan 8.180 nan 0.000 0.499 29 H N 1.864 121.087 119.070 0.256 0.000 2.747 29 H HA 0.244 4.800 4.556 -0.000 0.000 0.371 29 H C -0.553 174.864 175.328 0.148 0.000 1.161 29 H CA -0.952 55.183 56.048 0.144 0.000 1.167 29 H CB 1.984 31.786 29.762 0.066 0.000 1.732 29 H HN 0.286 nan 8.280 nan 0.000 0.544 30 D N 0.597 121.126 120.400 0.214 0.000 2.348 30 D HA 0.299 4.938 4.640 -0.000 0.000 0.249 30 D C 0.314 176.691 176.300 0.129 0.000 1.110 30 D CA -0.494 53.590 54.000 0.139 0.000 0.967 30 D CB 1.508 42.361 40.800 0.088 0.000 1.139 30 D HN 0.571 nan 8.370 nan 0.000 0.466 31 A N 0.663 123.539 122.820 0.093 0.000 2.483 31 A HA 0.092 4.411 4.320 -0.000 0.000 0.238 31 A C 1.496 179.117 177.584 0.063 0.000 1.070 31 A CA -0.419 51.663 52.037 0.075 0.000 0.770 31 A CB 0.365 19.401 19.000 0.060 0.000 1.008 31 A HN 0.419 nan 8.150 nan 0.000 0.497 32 V N 2.288 122.232 119.914 0.050 0.000 2.469 32 V HA -0.237 3.882 4.120 -0.000 0.000 0.251 32 V C 2.631 178.748 176.094 0.039 0.000 1.064 32 V CA 2.724 65.049 62.300 0.042 0.000 1.066 32 V CB -0.752 31.089 31.823 0.030 0.000 0.667 32 V HN 1.115 nan 8.190 nan 0.000 0.461 33 S N -1.013 114.710 115.700 0.037 0.000 2.561 33 S HA -0.074 4.396 4.470 -0.000 0.000 0.225 33 S C 1.260 175.883 174.600 0.037 0.000 0.977 33 S CA 0.135 58.356 58.200 0.035 0.000 0.926 33 S CB -0.070 63.151 63.200 0.035 0.000 0.769 33 S HN 0.527 nan 8.310 nan 0.000 0.533 34 R N -0.125 120.399 120.500 0.041 0.000 3.977 34 R HA -0.125 4.215 4.340 -0.000 0.000 0.428 34 R C -0.537 175.784 176.300 0.035 0.000 1.079 34 R CA 1.330 57.453 56.100 0.038 0.000 1.269 34 R CB -2.398 27.921 30.300 0.032 0.000 1.856 34 R HN 0.602 nan 8.270 nan 0.000 0.551 35 K N 1.427 121.851 120.400 0.041 0.000 2.219 35 K HA 0.281 4.601 4.320 -0.000 0.000 0.258 35 K C 0.839 177.466 176.600 0.045 0.000 1.008 35 K CA 0.767 57.083 56.287 0.048 0.000 0.928 35 K CB 0.594 33.130 32.500 0.060 0.000 0.983 35 K HN 0.286 nan 8.250 nan 0.000 0.484 36 T N -1.176 113.407 114.554 0.048 0.000 2.883 36 T HA 0.652 5.001 4.350 -0.000 0.000 0.301 36 T C -0.855 173.899 174.700 0.090 0.000 1.158 36 T CA -1.071 61.028 62.100 -0.002 0.000 1.007 36 T CB 0.722 69.545 68.868 -0.076 0.000 1.186 36 T HN 0.476 nan 8.240 nan 0.000 0.499 37 F N -0.563 119.389 119.950 0.003 0.000 2.563 37 F HA 0.871 5.397 4.527 -0.000 0.000 0.316 37 F C -3.074 172.767 175.800 0.069 0.000 1.076 37 F CA -3.046 54.998 58.000 0.074 0.000 0.921 37 F CB 1.512 40.574 39.000 0.102 0.000 1.209 37 F HN 0.389 nan 8.300 nan 0.000 0.462 38 P HA 0.179 nan 4.420 nan 0.000 0.284 38 P C -0.930 176.492 177.300 0.204 0.000 1.253 38 P CA -0.162 63.005 63.100 0.112 0.000 0.800 38 P CB 1.936 33.697 31.700 0.102 0.000 0.961 39 T N 2.012 116.621 114.554 0.092 0.000 2.779 39 T HA 0.398 4.748 4.350 -0.000 0.000 0.280 39 T C -0.471 174.261 174.700 0.055 0.000 0.987 39 T CA -0.497 61.674 62.100 0.119 0.000 0.966 39 T CB 0.327 69.252 68.868 0.095 0.000 0.933 39 T HN 0.068 nan 8.240 nan 0.000 0.442 40 V N 5.400 125.345 119.914 0.051 0.000 2.716 40 V HA 0.468 4.588 4.120 -0.000 0.000 0.304 40 V C 0.472 176.572 176.094 0.008 0.000 1.053 40 V CA -1.120 61.196 62.300 0.027 0.000 0.984 40 V CB 1.694 33.544 31.823 0.045 0.000 1.021 40 V HN 0.862 nan 8.190 nan 0.000 0.467 41 N N 5.300 123.997 118.700 -0.005 0.000 2.437 41 N HA 0.266 5.006 4.740 -0.000 0.000 0.243 41 N C -1.323 174.160 175.510 -0.045 0.000 1.041 41 N CA -2.199 50.840 53.050 -0.018 0.000 0.940 41 N CB 1.601 40.084 38.487 -0.008 0.000 1.133 41 N HN 0.321 nan 8.380 nan 0.000 0.506 42 P HA -0.076 nan 4.420 nan 0.000 0.225 42 P C 0.596 177.736 177.300 -0.266 0.000 1.148 42 P CA 0.870 63.934 63.100 -0.060 0.000 0.779 42 P CB 0.436 32.102 31.700 -0.057 0.000 0.780 43 S N -0.515 115.071 115.700 -0.191 0.000 2.436 43 S HA -0.047 4.423 4.470 -0.000 0.000 0.228 43 S C 1.895 176.465 174.600 -0.050 0.000 1.014 43 S CA 1.813 59.936 58.200 -0.127 0.000 0.950 43 S CB -0.682 62.550 63.200 0.052 0.000 0.784 43 S HN 0.464 nan 8.310 nan 0.000 0.504 44 T N -3.190 111.304 114.554 -0.101 0.000 2.955 44 T HA 0.462 4.812 4.350 -0.000 0.000 0.251 44 T C 1.512 176.103 174.700 -0.182 0.000 1.002 44 T CA 0.866 62.908 62.100 -0.097 0.000 0.970 44 T CB 0.333 69.175 68.868 -0.043 0.000 1.091 44 T HN 0.510 nan 8.240 nan 0.000 0.495 45 G N 1.457 110.123 108.800 -0.223 0.000 2.179 45 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.260 45 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.260 45 G C -0.180 174.669 174.900 -0.086 0.000 0.977 45 G CA 0.153 45.120 45.100 -0.222 0.000 0.641 45 G HN 0.614 nan 8.290 nan 0.000 0.533 46 E N -0.055 120.106 120.200 -0.065 0.000 2.283 46 E HA 0.521 4.871 4.350 -0.000 0.000 0.271 46 E C 0.607 177.196 176.600 -0.019 0.000 1.031 46 E CA -0.735 55.643 56.400 -0.036 0.000 0.868 46 E CB 1.877 31.555 29.700 -0.036 0.000 1.094 46 E HN 0.128 nan 8.360 nan 0.000 0.401 47 V N 3.720 123.627 119.914 -0.012 0.000 2.572 47 V HA 0.000 4.120 4.120 -0.000 0.000 0.291 47 V C 1.712 177.795 176.094 -0.018 0.000 1.039 47 V CA 0.353 62.650 62.300 -0.006 0.000 1.055 47 V CB 0.313 32.135 31.823 -0.002 0.000 0.969 47 V HN 0.620 nan 8.190 nan 0.000 0.482 48 I N 3.848 124.407 120.570 -0.019 0.000 2.296 48 I HA 0.035 4.205 4.170 -0.000 0.000 0.242 48 I C 0.961 177.048 176.117 -0.050 0.000 1.087 48 I CA 1.341 62.621 61.300 -0.033 0.000 1.393 48 I CB 0.236 38.218 38.000 -0.029 0.000 1.093 48 I HN 0.888 nan 8.210 nan 0.000 0.421 49 C N -2.276 116.990 119.300 -0.056 0.000 3.167 49 C HA 0.385 4.845 4.460 -0.000 0.000 0.348 49 C C -1.320 173.604 174.990 -0.109 0.000 1.394 49 C CA -1.201 57.769 59.018 -0.079 0.000 1.204 49 C CB 1.215 28.897 27.740 -0.096 0.000 1.467 49 C HN 0.155 nan 8.230 nan 0.000 0.446 50 Q N 0.529 120.248 119.800 -0.135 0.000 2.214 50 Q HA 0.775 5.114 4.340 -0.000 0.000 0.251 50 Q C -0.698 175.111 176.000 -0.317 0.000 0.936 50 Q CA -0.264 55.417 55.803 -0.202 0.000 0.894 50 Q CB 2.002 30.659 28.738 -0.134 0.000 1.252 50 Q HN 0.750 nan 8.270 nan 0.000 0.448 51 V N 0.453 120.009 119.914 -0.597 0.000 2.841 51 V HA 0.486 4.605 4.120 -0.000 0.000 0.310 51 V C -0.473 175.230 176.094 -0.651 0.000 1.090 51 V CA -1.271 60.618 62.300 -0.684 0.000 0.930 51 V CB 1.911 33.163 31.823 -0.952 0.000 1.014 51 V HN 0.898 nan 8.190 nan 0.000 0.425 52 A N 2.407 125.083 122.820 -0.240 0.000 2.548 52 A HA 0.185 4.504 4.320 -0.000 0.000 0.247 52 A C 0.410 178.070 177.584 0.126 0.000 1.067 52 A CA 0.309 52.325 52.037 -0.036 0.000 0.757 52 A CB -0.152 18.887 19.000 0.065 0.000 0.996 52 A HN 0.906 nan 8.150 nan 0.000 0.504 53 E N 3.243 123.544 120.200 0.168 0.000 1.936 53 E HA 0.356 4.706 4.350 -0.000 0.000 0.267 53 E C 0.656 177.275 176.600 0.031 0.000 1.076 53 E CA -0.265 56.244 56.400 0.182 0.000 0.870 53 E CB 0.163 29.898 29.700 0.059 0.000 1.093 53 E HN 0.786 nan 8.360 nan 0.000 0.411 54 G N 3.423 112.250 108.800 0.045 0.000 2.483 54 G HA2 0.074 4.034 3.960 -0.000 0.000 0.248 54 G HA3 0.074 4.034 3.960 -0.000 0.000 0.248 54 G C -0.347 174.543 174.900 -0.018 0.000 1.248 54 G CA -0.245 44.871 45.100 0.027 0.000 0.838 54 G HN 0.590 nan 8.290 nan 0.000 0.566 55 D N -0.338 120.066 120.400 0.007 0.000 2.837 55 D HA 0.198 4.838 4.640 -0.000 0.000 0.294 55 D C 1.391 177.705 176.300 0.024 0.000 1.158 55 D CA -0.774 53.232 54.000 0.010 0.000 1.073 55 D CB 1.635 42.443 40.800 0.013 0.000 1.419 55 D HN 0.257 nan 8.370 nan 0.000 0.584 56 K N 0.579 120.994 120.400 0.024 0.000 2.034 56 K HA -0.203 4.116 4.320 -0.000 0.000 0.214 56 K C 1.613 178.231 176.600 0.029 0.000 1.051 56 K CA 2.078 58.381 56.287 0.027 0.000 0.931 56 K CB -0.044 32.462 32.500 0.010 0.000 0.715 56 K HN 0.320 nan 8.250 nan 0.000 0.446 57 E N -0.036 120.176 120.200 0.020 0.000 2.118 57 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 57 E C 1.699 178.309 176.600 0.016 0.000 0.992 57 E CA 1.422 57.833 56.400 0.018 0.000 0.804 57 E CB -0.064 29.645 29.700 0.014 0.000 0.741 57 E HN 0.464 nan 8.360 nan 0.000 0.458 58 D N 0.061 120.471 120.400 0.017 0.000 2.149 58 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 58 D C 2.081 178.386 176.300 0.007 0.000 0.972 58 D CA 0.625 54.629 54.000 0.006 0.000 0.835 58 D CB 0.115 40.928 40.800 0.022 0.000 0.966 58 D HN 0.041 nan 8.370 nan 0.000 0.476 59 V N 1.891 121.825 119.914 0.034 0.000 2.343 59 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 59 V C 1.956 178.093 176.094 0.071 0.000 1.051 59 V CA 1.606 63.938 62.300 0.053 0.000 1.036 59 V CB -0.317 31.558 31.823 0.087 0.000 0.654 59 V HN 0.055 nan 8.190 nan 0.000 0.451 60 D N -0.063 120.400 120.400 0.106 0.000 2.144 60 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 60 D C 2.247 178.582 176.300 0.059 0.000 0.984 60 D CA 1.188 55.281 54.000 0.155 0.000 0.834 60 D CB -0.130 40.736 40.800 0.108 0.000 0.955 60 D HN 0.443 nan 8.370 nan 0.000 0.465 61 K N 0.622 121.022 120.400 0.000 0.000 2.057 61 K HA -0.043 4.277 4.320 -0.000 0.000 0.207 61 K C 2.156 178.707 176.600 -0.082 0.000 1.049 61 K CA 1.096 57.349 56.287 -0.056 0.000 0.931 61 K CB -0.032 32.403 32.500 -0.109 0.000 0.714 61 K HN 0.006 nan 8.250 nan 0.000 0.440 62 A N 0.987 123.761 122.820 -0.076 0.000 1.873 62 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 62 A C 2.381 179.912 177.584 -0.088 0.000 1.186 62 A CA 1.356 53.341 52.037 -0.087 0.000 0.616 62 A CB -0.711 18.255 19.000 -0.057 0.000 0.823 62 A HN 0.063 nan 8.150 nan 0.000 0.442 63 V N 0.207 120.059 119.914 -0.103 0.000 2.287 63 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 63 V C 2.484 178.517 176.094 -0.101 0.000 1.053 63 V CA 2.460 64.653 62.300 -0.178 0.000 1.027 63 V CB -0.679 30.881 31.823 -0.439 0.000 0.646 63 V HN 0.555 nan 8.190 nan 0.000 0.447 64 K N -0.047 120.325 120.400 -0.047 0.000 2.097 64 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 64 K C 2.271 178.860 176.600 -0.018 0.000 1.049 64 K CA 1.450 57.730 56.287 -0.012 0.000 0.933 64 K CB -0.389 32.114 32.500 0.005 0.000 0.717 64 K HN 0.497 nan 8.250 nan 0.000 0.442 65 A N 1.385 124.177 122.820 -0.046 0.000 1.898 65 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 65 A C 2.360 179.924 177.584 -0.033 0.000 1.181 65 A CA 1.756 53.761 52.037 -0.052 0.000 0.620 65 A CB -0.674 18.267 19.000 -0.099 0.000 0.819 65 A HN 0.324 nan 8.150 nan 0.000 0.442 66 A N -0.063 122.732 122.820 -0.043 0.000 1.877 66 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 66 A C 2.181 179.796 177.584 0.052 0.000 1.186 66 A CA 2.175 54.198 52.037 -0.023 0.000 0.620 66 A CB -0.468 18.495 19.000 -0.061 0.000 0.822 66 A HN 0.471 nan 8.150 nan 0.000 0.443 67 R N 0.390 120.914 120.500 0.040 0.000 2.091 67 R HA -0.068 4.272 4.340 -0.000 0.000 0.238 67 R C 2.101 178.494 176.300 0.155 0.000 1.136 67 R CA 2.127 58.293 56.100 0.111 0.000 0.959 67 R CB -0.995 29.343 30.300 0.063 0.000 0.856 67 R HN 0.386 nan 8.270 nan 0.000 0.437 68 A N 0.260 123.134 122.820 0.090 0.000 1.902 68 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 68 A C 2.362 180.010 177.584 0.106 0.000 1.181 68 A CA 1.845 53.929 52.037 0.079 0.000 0.623 68 A CB -1.089 17.934 19.000 0.039 0.000 0.818 68 A HN 0.507 nan 8.150 nan 0.000 0.443 69 A N -2.228 120.662 122.820 0.116 0.000 2.121 69 A HA 0.078 4.398 4.320 -0.000 0.000 0.218 69 A C 1.766 179.528 177.584 0.298 0.000 1.154 69 A CA 1.289 53.416 52.037 0.150 0.000 0.679 69 A CB -0.532 18.507 19.000 0.064 0.000 0.795 69 A HN 0.617 nan 8.150 nan 0.000 0.458 70 F N 0.243 120.275 119.950 0.136 0.000 2.776 70 F HA 0.200 4.726 4.527 -0.001 0.000 0.300 70 F C 0.720 176.592 175.800 0.121 0.000 1.116 70 F CA -0.241 57.865 58.000 0.177 0.000 1.375 70 F CB 0.107 39.192 39.000 0.142 0.000 1.109 70 F HN 0.088 nan 8.300 nan 0.000 0.585 71 Q N 1.681 121.514 119.800 0.055 0.000 2.349 71 Q HA 0.004 4.344 4.340 -0.000 0.000 0.287 71 Q C -0.221 175.709 176.000 -0.118 0.000 1.044 71 Q CA -0.023 55.758 55.803 -0.036 0.000 0.918 71 Q CB 0.611 29.363 28.738 0.025 0.000 1.242 71 Q HN 0.221 nan 8.270 nan 0.000 0.405 72 L N 1.631 122.768 121.223 -0.143 0.000 2.540 72 L HA 0.118 4.458 4.340 -0.000 0.000 0.276 72 L C 1.292 178.122 176.870 -0.067 0.000 1.212 72 L CA 2.194 56.955 54.840 -0.131 0.000 0.893 72 L CB 0.076 42.075 42.059 -0.099 0.000 1.138 72 L HN 0.931 nan 8.230 nan 0.000 0.491 73 G N 1.805 110.570 108.800 -0.059 0.000 2.175 73 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 73 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 73 G C 0.325 175.223 174.900 -0.003 0.000 0.982 73 G CA 0.290 45.374 45.100 -0.026 0.000 0.641 73 G HN 1.051 nan 8.290 nan 0.000 0.527 74 S N 0.342 116.046 115.700 0.007 0.000 2.614 74 S HA 0.596 5.066 4.470 -0.000 0.000 0.265 74 S C -0.715 173.935 174.600 0.084 0.000 1.303 74 S CA -0.366 57.867 58.200 0.055 0.000 1.000 74 S CB 1.953 65.208 63.200 0.091 0.000 0.935 74 S HN -0.008 nan 8.310 nan 0.000 0.551 75 P HA -0.096 nan 4.420 nan 0.000 0.216 75 P C 1.207 178.645 177.300 0.229 0.000 1.150 75 P CA 1.138 64.323 63.100 0.141 0.000 0.837 75 P CB -0.076 31.710 31.700 0.143 0.000 0.786 76 W N 0.064 121.393 121.300 0.049 0.000 2.402 76 W HA -0.125 4.535 4.660 -0.000 0.000 0.286 76 W C 1.675 178.229 176.519 0.059 0.000 1.221 76 W CA 0.563 57.953 57.345 0.076 0.000 1.257 76 W CB -0.019 29.511 29.460 0.117 0.000 1.120 76 W HN -0.152 nan 8.180 nan 0.000 0.551 77 R N 0.310 120.830 120.500 0.033 0.000 2.093 77 R HA -0.015 4.325 4.340 -0.000 0.000 0.224 77 R C 2.094 178.323 176.300 -0.118 0.000 1.101 77 R CA 0.931 56.951 56.100 -0.134 0.000 0.979 77 R CB -0.693 29.518 30.300 -0.148 0.000 0.877 77 R HN 0.292 nan 8.270 nan 0.000 0.441 78 R N -0.059 120.410 120.500 -0.051 0.000 2.193 78 R HA 0.135 4.475 4.340 -0.000 0.000 0.213 78 R C 1.185 177.457 176.300 -0.045 0.000 1.055 78 R CA -0.090 55.984 56.100 -0.042 0.000 0.995 78 R CB -0.086 30.204 30.300 -0.017 0.000 0.893 78 R HN 0.114 nan 8.270 nan 0.000 0.459 79 M N 2.297 121.874 119.600 -0.039 0.000 2.248 79 M HA -0.068 4.412 4.480 -0.000 0.000 0.343 79 M C -0.735 175.533 176.300 -0.054 0.000 1.243 79 M CA 0.428 55.715 55.300 -0.021 0.000 1.025 79 M CB 0.498 33.122 32.600 0.040 0.000 1.759 79 M HN -0.060 nan 8.290 nan 0.000 0.452 80 D N 3.909 124.299 120.400 -0.016 0.000 2.443 80 D HA 0.104 4.744 4.640 -0.000 0.000 0.239 80 D C 0.847 177.148 176.300 0.002 0.000 1.136 80 D CA 0.498 54.494 54.000 -0.007 0.000 0.879 80 D CB 1.105 41.908 40.800 0.007 0.000 1.195 80 D HN 0.752 nan 8.370 nan 0.000 0.443 81 A N 2.327 125.139 122.820 -0.014 0.000 1.917 81 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 81 A C 2.129 179.726 177.584 0.022 0.000 1.182 81 A CA 2.304 54.333 52.037 -0.014 0.000 0.633 81 A CB -0.672 18.336 19.000 0.013 0.000 0.819 81 A HN 0.598 nan 8.150 nan 0.000 0.448 82 S N -1.204 114.522 115.700 0.044 0.000 2.399 82 S HA -0.260 4.210 4.470 -0.000 0.000 0.231 82 S C 1.885 176.533 174.600 0.079 0.000 1.022 82 S CA 1.689 59.922 58.200 0.056 0.000 0.983 82 S CB -0.680 62.553 63.200 0.054 0.000 0.803 82 S HN 0.721 nan 8.310 nan 0.000 0.480 83 H N 1.652 120.711 119.070 -0.018 0.000 2.395 83 H HA 0.232 4.787 4.556 -0.001 0.000 0.299 83 H C 2.300 177.617 175.328 -0.020 0.000 1.070 83 H CA 1.515 57.551 56.048 -0.021 0.000 1.356 83 H CB -0.125 29.621 29.762 -0.027 0.000 1.401 83 H HN 0.377 nan 8.280 nan 0.000 0.524 84 R N -0.745 119.737 120.500 -0.029 0.000 2.096 84 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 84 R C 2.479 178.787 176.300 0.014 0.000 1.127 84 R CA 1.043 57.130 56.100 -0.022 0.000 0.968 84 R CB -0.447 29.824 30.300 -0.047 0.000 0.861 84 R HN 0.412 nan 8.270 nan 0.000 0.440 85 G N 1.107 109.917 108.800 0.017 0.000 2.402 85 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.216 85 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.216 85 G C 1.429 176.329 174.900 0.000 0.000 1.162 85 G CA 0.137 45.263 45.100 0.042 0.000 0.777 85 G HN 0.117 nan 8.290 nan 0.000 0.539 86 R N 0.233 120.690 120.500 -0.073 0.000 2.105 86 R HA 0.062 4.402 4.340 -0.000 0.000 0.239 86 R C 2.601 178.810 176.300 -0.152 0.000 1.135 86 R CA 0.574 56.610 56.100 -0.108 0.000 0.967 86 R CB -1.028 29.183 30.300 -0.148 0.000 0.861 86 R HN 0.401 nan 8.270 nan 0.000 0.442 87 L N 0.326 121.382 121.223 -0.277 0.000 2.056 87 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 87 L C 2.466 179.361 176.870 0.042 0.000 1.078 87 L CA 0.981 55.613 54.840 -0.348 0.000 0.749 87 L CB -0.448 41.093 42.059 -0.863 0.000 0.901 87 L HN 0.110 nan 8.230 nan 0.000 0.433 88 L N -0.411 120.922 121.223 0.183 0.000 2.083 88 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 88 L C 2.407 179.395 176.870 0.197 0.000 1.083 88 L CA 0.970 55.993 54.840 0.305 0.000 0.752 88 L CB -0.546 41.672 42.059 0.264 0.000 0.899 88 L HN 0.358 nan 8.230 nan 0.000 0.433 89 N N -0.033 118.739 118.700 0.119 0.000 2.142 89 N HA -0.197 4.543 4.740 -0.000 0.000 0.186 89 N C 1.976 177.542 175.510 0.093 0.000 1.023 89 N CA 1.020 54.125 53.050 0.092 0.000 0.852 89 N CB -0.124 38.396 38.487 0.054 0.000 0.998 89 N HN 0.164 nan 8.380 nan 0.000 0.424 90 R N 1.427 121.976 120.500 0.083 0.000 2.073 90 R HA -0.043 4.296 4.340 -0.000 0.000 0.234 90 R C 2.127 178.506 176.300 0.131 0.000 1.134 90 R CA 0.859 57.010 56.100 0.085 0.000 0.952 90 R CB -0.969 29.360 30.300 0.049 0.000 0.850 90 R HN 0.179 nan 8.270 nan 0.000 0.433 91 L N 0.308 121.651 121.223 0.200 0.000 2.042 91 L HA -0.012 4.327 4.340 -0.000 0.000 0.210 91 L C 2.080 179.032 176.870 0.137 0.000 1.076 91 L CA 2.296 57.253 54.840 0.195 0.000 0.749 91 L CB -1.074 41.125 42.059 0.234 0.000 0.893 91 L HN 0.262 nan 8.230 nan 0.000 0.432 92 A N -0.720 122.180 122.820 0.134 0.000 1.883 92 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 92 A C 2.011 179.656 177.584 0.101 0.000 1.186 92 A CA 1.937 54.042 52.037 0.114 0.000 0.624 92 A CB -0.913 18.155 19.000 0.113 0.000 0.822 92 A HN 0.544 nan 8.150 nan 0.000 0.444 93 D N -0.035 120.423 120.400 0.097 0.000 2.178 93 D HA -0.090 4.549 4.640 -0.000 0.000 0.201 93 D C 1.917 178.276 176.300 0.098 0.000 0.980 93 D CA 0.896 54.949 54.000 0.087 0.000 0.842 93 D CB -0.273 40.573 40.800 0.077 0.000 0.948 93 D HN 0.472 nan 8.370 nan 0.000 0.472 94 L N 0.182 121.470 121.223 0.108 0.000 2.109 94 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 94 L C 2.441 179.400 176.870 0.149 0.000 1.086 94 L CA 0.576 55.488 54.840 0.120 0.000 0.760 94 L CB -0.192 41.935 42.059 0.113 0.000 0.910 94 L HN 0.010 nan 8.230 nan 0.000 0.437 95 I N -0.019 120.636 120.570 0.142 0.000 2.315 95 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 95 I C 2.576 178.777 176.117 0.141 0.000 1.117 95 I CA 1.190 62.586 61.300 0.159 0.000 1.404 95 I CB -0.100 37.977 38.000 0.128 0.000 1.071 95 I HN 0.318 nan 8.210 nan 0.000 0.419 96 E N 1.344 121.610 120.200 0.110 0.000 2.106 96 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 96 E C 2.387 179.057 176.600 0.117 0.000 0.984 96 E CA 0.910 57.364 56.400 0.090 0.000 0.806 96 E CB -0.044 29.699 29.700 0.071 0.000 0.750 96 E HN 0.241 nan 8.360 nan 0.000 0.458 97 R N 0.264 120.840 120.500 0.126 0.000 2.081 97 R HA -0.120 4.219 4.340 -0.000 0.000 0.235 97 R C 0.293 176.691 176.300 0.163 0.000 1.131 97 R CA 1.738 57.916 56.100 0.131 0.000 0.960 97 R CB -0.000 30.370 30.300 0.117 0.000 0.856 97 R HN 0.147 nan 8.270 nan 0.000 0.436 98 D N -0.076 120.445 120.400 0.202 0.000 2.491 98 D HA 0.041 4.680 4.640 -0.000 0.000 0.228 98 D C 1.048 177.506 176.300 0.263 0.000 1.183 98 D CA -0.035 54.118 54.000 0.255 0.000 0.827 98 D CB 0.279 41.290 40.800 0.351 0.000 0.989 98 D HN 0.226 nan 8.370 nan 0.000 0.494 99 R N 0.608 121.241 120.500 0.221 0.000 2.073 99 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 99 R C 1.918 178.408 176.300 0.316 0.000 1.134 99 R CA 2.101 58.321 56.100 0.202 0.000 0.952 99 R CB -0.195 30.177 30.300 0.120 0.000 0.850 99 R HN 0.229 nan 8.270 nan 0.000 0.433 100 T N -1.496 113.297 114.554 0.398 0.000 2.720 100 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 100 T C 1.840 176.757 174.700 0.362 0.000 1.037 100 T CA 1.463 63.821 62.100 0.430 0.000 1.144 100 T CB -0.785 68.267 68.868 0.307 0.000 0.864 100 T HN 0.452 nan 8.240 nan 0.000 0.444 101 Y N 2.237 122.638 120.300 0.167 0.000 2.114 101 Y HA 0.080 4.630 4.550 -0.000 0.000 0.284 101 Y C 2.147 178.087 175.900 0.067 0.000 1.143 101 Y CA 0.934 59.082 58.100 0.080 0.000 1.135 101 Y CB -0.623 37.837 38.460 -0.001 0.000 0.980 101 Y HN 0.160 nan 8.280 nan 0.000 0.499 102 L N -0.044 121.130 121.223 -0.081 0.000 2.083 102 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 102 L C 2.795 179.633 176.870 -0.053 0.000 1.083 102 L CA 1.232 55.978 54.840 -0.156 0.000 0.752 102 L CB -0.969 41.121 42.059 0.052 0.000 0.899 102 L HN 0.365 nan 8.230 nan 0.000 0.433 103 A N -0.109 122.775 122.820 0.107 0.000 1.902 103 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 103 A C 2.519 180.261 177.584 0.264 0.000 1.181 103 A CA 1.771 53.911 52.037 0.171 0.000 0.623 103 A CB -0.697 18.456 19.000 0.255 0.000 0.818 103 A HN 0.401 nan 8.150 nan 0.000 0.443 104 A N -0.605 122.423 122.820 0.346 0.000 1.873 104 A HA 0.013 4.333 4.320 -0.000 0.000 0.215 104 A C 2.112 179.784 177.584 0.146 0.000 1.186 104 A CA 1.638 53.893 52.037 0.364 0.000 0.616 104 A CB -0.655 18.476 19.000 0.218 0.000 0.823 104 A HN 0.664 nan 8.150 nan 0.000 0.442 105 L N -0.085 121.055 121.223 -0.137 0.000 2.131 105 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 105 L C 2.206 179.018 176.870 -0.097 0.000 1.092 105 L CA 2.651 57.360 54.840 -0.219 0.000 0.759 105 L CB -0.566 41.164 42.059 -0.549 0.000 0.903 105 L HN 0.501 nan 8.230 nan 0.000 0.435 106 E N -0.931 119.228 120.200 -0.069 0.000 2.031 106 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 106 E C 2.076 178.643 176.600 -0.055 0.000 0.994 106 E CA 2.072 58.447 56.400 -0.042 0.000 0.800 106 E CB -0.475 29.212 29.700 -0.022 0.000 0.752 106 E HN 0.471 nan 8.360 nan 0.000 0.447 107 T N 0.806 115.318 114.554 -0.070 0.000 2.720 107 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 107 T C 1.762 176.355 174.700 -0.178 0.000 1.037 107 T CA 1.254 63.238 62.100 -0.195 0.000 1.144 107 T CB -0.391 68.222 68.868 -0.426 0.000 0.864 107 T HN 0.118 nan 8.240 nan 0.000 0.444 108 L N 1.052 122.249 121.223 -0.042 0.000 2.046 108 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 108 L C 2.104 178.973 176.870 -0.002 0.000 1.077 108 L CA 1.819 56.696 54.840 0.060 0.000 0.747 108 L CB -0.304 41.834 42.059 0.132 0.000 0.896 108 L HN 0.104 nan 8.230 nan 0.000 0.432 109 D N -1.680 118.707 120.400 -0.021 0.000 2.216 109 D HA -0.140 4.500 4.640 -0.000 0.000 0.208 109 D C 1.857 178.138 176.300 -0.031 0.000 0.960 109 D CA 0.734 54.724 54.000 -0.016 0.000 0.861 109 D CB 0.050 40.848 40.800 -0.002 0.000 0.985 109 D HN 0.409 nan 8.370 nan 0.000 0.493 110 N N -0.663 118.008 118.700 -0.049 0.000 2.278 110 N HA -0.041 4.699 4.740 -0.000 0.000 0.181 110 N C 1.327 176.775 175.510 -0.103 0.000 1.023 110 N CA 1.707 54.720 53.050 -0.062 0.000 0.862 110 N CB 0.710 39.157 38.487 -0.067 0.000 1.003 110 N HN 0.276 nan 8.380 nan 0.000 0.431 111 G N 1.317 110.043 108.800 -0.124 0.000 2.253 111 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.209 111 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.209 111 G C -0.104 174.710 174.900 -0.143 0.000 0.997 111 G CA 0.280 45.292 45.100 -0.147 0.000 0.640 111 G HN 0.648 nan 8.290 nan 0.000 0.496 112 K N 1.069 121.383 120.400 -0.144 0.000 2.319 112 K HA 0.469 4.788 4.320 -0.000 0.000 0.265 112 K C -2.669 173.866 176.600 -0.109 0.000 1.000 112 K CA -1.230 54.981 56.287 -0.125 0.000 0.943 112 K CB 0.457 32.866 32.500 -0.151 0.000 0.950 112 K HN 0.060 nan 8.250 nan 0.000 0.485 113 P HA -0.123 nan 4.420 nan 0.000 0.264 113 P C -0.314 176.973 177.300 -0.021 0.000 1.183 113 P CA 0.018 63.106 63.100 -0.020 0.000 0.763 113 P CB 0.130 31.858 31.700 0.046 0.000 0.807 114 Y N 4.779 124.984 120.300 -0.159 0.000 2.165 114 Y HA -0.258 4.292 4.550 -0.000 0.000 0.286 114 Y C 1.768 177.701 175.900 0.055 0.000 1.155 114 Y CA 1.778 59.824 58.100 -0.090 0.000 1.164 114 Y CB -0.927 37.508 38.460 -0.041 0.000 0.978 114 Y HN 0.084 nan 8.280 nan 0.000 0.513 115 V N 0.432 120.300 119.914 -0.078 0.000 2.332 115 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 115 V C 2.378 178.447 176.094 -0.041 0.000 1.055 115 V CA 1.870 64.111 62.300 -0.098 0.000 1.038 115 V CB -0.749 31.101 31.823 0.044 0.000 0.651 115 V HN 0.418 nan 8.190 nan 0.000 0.450 116 I N 0.137 120.718 120.570 0.019 0.000 2.252 116 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 116 I C 2.574 178.721 176.117 0.051 0.000 1.102 116 I CA 1.461 62.814 61.300 0.088 0.000 1.385 116 I CB -1.522 36.567 38.000 0.148 0.000 1.064 116 I HN 0.268 nan 8.210 nan 0.000 0.414 117 S N -0.015 115.674 115.700 -0.018 0.000 2.382 117 S HA -0.207 4.263 4.470 -0.000 0.000 0.228 117 S C 1.984 176.564 174.600 -0.034 0.000 1.027 117 S CA 1.174 59.361 58.200 -0.021 0.000 0.991 117 S CB -0.406 62.777 63.200 -0.028 0.000 0.823 117 S HN 0.461 nan 8.310 nan 0.000 0.469 118 Y N 1.832 121.980 120.300 -0.254 0.000 2.153 118 Y HA 0.085 4.634 4.550 -0.000 0.000 0.289 118 Y C 1.879 177.723 175.900 -0.092 0.000 1.119 118 Y CA 1.286 59.251 58.100 -0.224 0.000 1.116 118 Y CB -0.329 37.868 38.460 -0.437 0.000 1.004 118 Y HN 0.091 nan 8.280 nan 0.000 0.501 119 L N -1.157 120.093 121.223 0.046 0.000 2.291 119 L HA -0.108 4.232 4.340 -0.000 0.000 0.214 119 L C 1.661 178.535 176.870 0.006 0.000 1.120 119 L CA 0.537 55.389 54.840 0.021 0.000 0.799 119 L CB -0.319 41.803 42.059 0.105 0.000 0.925 119 L HN 0.194 nan 8.230 nan 0.000 0.446 120 V N -1.137 118.802 119.914 0.043 0.000 3.050 120 V HA -0.041 4.079 4.120 -0.000 0.000 0.223 120 V C 1.636 177.770 176.094 0.067 0.000 1.162 120 V CA 0.786 63.141 62.300 0.092 0.000 1.247 120 V CB -0.161 31.790 31.823 0.212 0.000 1.125 120 V HN 0.149 nan 8.190 nan 0.000 0.508 121 D N 0.777 121.223 120.400 0.078 0.000 2.103 121 D HA -0.186 4.453 4.640 -0.000 0.000 0.190 121 D C 2.108 178.407 176.300 -0.002 0.000 0.997 121 D CA 1.472 55.499 54.000 0.045 0.000 0.833 121 D CB -0.193 40.642 40.800 0.058 0.000 0.961 121 D HN 0.113 nan 8.370 nan 0.000 0.447 122 L N 0.449 121.652 121.223 -0.034 0.000 2.093 122 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 122 L C 2.040 178.875 176.870 -0.059 0.000 1.085 122 L CA 1.541 56.348 54.840 -0.056 0.000 0.755 122 L CB -0.901 41.090 42.059 -0.115 0.000 0.904 122 L HN 0.119 nan 8.230 nan 0.000 0.435 123 D N -0.071 120.280 120.400 -0.083 0.000 2.097 123 D HA -0.227 4.413 4.640 -0.000 0.000 0.195 123 D C 2.333 178.642 176.300 0.015 0.000 0.989 123 D CA 1.401 55.371 54.000 -0.050 0.000 0.827 123 D CB 0.062 40.832 40.800 -0.050 0.000 0.966 123 D HN 0.151 nan 8.370 nan 0.000 0.456 124 M N -0.550 119.071 119.600 0.034 0.000 2.229 124 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 124 M C 2.150 178.513 176.300 0.105 0.000 1.063 124 M CA 0.575 55.923 55.300 0.079 0.000 1.114 124 M CB 0.088 32.732 32.600 0.074 0.000 1.387 124 M HN 0.001 nan 8.290 nan 0.000 0.420 125 V N 0.764 120.716 119.914 0.063 0.000 2.307 125 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 125 V C 2.242 178.403 176.094 0.111 0.000 1.045 125 V CA 1.595 63.944 62.300 0.082 0.000 1.024 125 V CB -0.531 31.318 31.823 0.043 0.000 0.651 125 V HN 0.458 nan 8.190 nan 0.000 0.449 126 L N -0.584 120.687 121.223 0.081 0.000 2.046 126 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 126 L C 2.562 179.500 176.870 0.113 0.000 1.077 126 L CA 1.710 56.602 54.840 0.087 0.000 0.747 126 L CB -0.639 41.452 42.059 0.052 0.000 0.896 126 L HN 0.272 nan 8.230 nan 0.000 0.432 127 K N -0.844 119.621 120.400 0.109 0.000 2.148 127 K HA -0.187 4.133 4.320 -0.000 0.000 0.204 127 K C 2.287 178.994 176.600 0.178 0.000 1.050 127 K CA 1.443 57.803 56.287 0.122 0.000 0.942 127 K CB -0.359 32.197 32.500 0.092 0.000 0.724 127 K HN 0.395 nan 8.250 nan 0.000 0.446 128 C N 1.042 120.473 119.300 0.218 0.000 2.476 128 C HA -0.006 4.453 4.460 -0.000 0.000 0.278 128 C C 2.399 177.622 174.990 0.388 0.000 1.274 128 C CA 0.423 59.631 59.018 0.317 0.000 1.713 128 C CB -0.863 27.117 27.740 0.400 0.000 2.039 128 C HN 0.394 nan 8.230 nan 0.000 0.484 129 L N 0.326 121.724 121.223 0.291 0.000 2.083 129 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 129 L C 2.975 179.994 176.870 0.249 0.000 1.083 129 L CA 1.619 56.620 54.840 0.267 0.000 0.752 129 L CB -0.674 41.498 42.059 0.189 0.000 0.899 129 L HN 0.354 nan 8.230 nan 0.000 0.433 130 R N -1.462 119.160 120.500 0.202 0.000 2.148 130 R HA -0.163 4.177 4.340 -0.000 0.000 0.223 130 R C 2.207 178.590 176.300 0.137 0.000 1.088 130 R CA 1.090 57.279 56.100 0.149 0.000 0.985 130 R CB -0.309 30.059 30.300 0.113 0.000 0.880 130 R HN 0.273 nan 8.270 nan 0.000 0.451 131 Y N 0.179 120.508 120.300 0.047 0.000 2.109 131 Y HA -0.262 4.287 4.550 -0.001 0.000 0.285 131 Y C 1.646 177.516 175.900 -0.050 0.000 1.131 131 Y CA 1.479 59.543 58.100 -0.061 0.000 1.121 131 Y CB -0.531 37.856 38.460 -0.122 0.000 0.987 131 Y HN -0.030 nan 8.280 nan 0.000 0.495 132 Y N 0.028 120.440 120.300 0.187 0.000 2.333 132 Y HA -0.176 4.374 4.550 -0.001 0.000 0.290 132 Y C 2.611 178.568 175.900 0.094 0.000 1.144 132 Y CA 0.876 59.073 58.100 0.162 0.000 1.228 132 Y CB -0.610 37.992 38.460 0.237 0.000 0.985 132 Y HN 0.312 nan 8.280 nan 0.000 0.542 133 A N 0.162 123.100 122.820 0.196 0.000 1.908 133 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 133 A C 2.532 180.141 177.584 0.041 0.000 1.181 133 A CA 1.877 53.992 52.037 0.130 0.000 0.627 133 A CB -1.454 17.608 19.000 0.103 0.000 0.818 133 A HN 0.472 nan 8.150 nan 0.000 0.445 134 G N -2.478 106.270 108.800 -0.087 0.000 2.471 134 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 134 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 134 G C 1.354 176.123 174.900 -0.218 0.000 1.125 134 G CA 0.677 45.654 45.100 -0.206 0.000 0.775 134 G HN 0.691 nan 8.290 nan 0.000 0.548 135 W N 0.623 121.820 121.300 -0.172 0.000 2.584 135 W HA 0.247 4.906 4.660 -0.001 0.000 0.264 135 W C 2.787 179.289 176.519 -0.029 0.000 1.264 135 W CA 0.226 57.495 57.345 -0.126 0.000 1.306 135 W CB 0.270 29.659 29.460 -0.119 0.000 1.110 135 W HN 0.254 nan 8.180 nan 0.000 0.606 136 A N 1.187 124.154 122.820 0.244 0.000 1.954 136 A HA -0.304 4.016 4.320 -0.000 0.000 0.222 136 A C 1.226 178.887 177.584 0.129 0.000 1.199 136 A CA 2.484 54.619 52.037 0.162 0.000 0.657 136 A CB -0.878 18.188 19.000 0.109 0.000 0.823 136 A HN 0.380 nan 8.150 nan 0.000 0.463 137 D N -2.606 117.858 120.400 0.108 0.000 2.788 137 D HA 0.277 4.916 4.640 -0.000 0.000 0.289 137 D C 0.374 176.710 176.300 0.061 0.000 1.340 137 D CA -0.124 53.924 54.000 0.080 0.000 0.831 137 D CB 0.076 40.911 40.800 0.057 0.000 1.103 137 D HN 0.484 nan 8.370 nan 0.000 0.476 138 K N -0.732 119.724 120.400 0.092 0.000 2.554 138 K HA 0.044 4.364 4.320 -0.000 0.000 0.211 138 K C -0.428 176.080 176.600 -0.153 0.000 1.226 138 K CA -0.449 55.798 56.287 -0.067 0.000 1.025 138 K CB 0.856 33.391 32.500 0.058 0.000 1.021 138 K HN -0.037 nan 8.250 nan 0.000 0.600 139 Y N 3.245 123.502 120.300 -0.073 0.000 2.667 139 Y HA 0.138 4.688 4.550 -0.000 0.000 0.340 139 Y C -0.392 175.485 175.900 -0.039 0.000 1.303 139 Y CA -1.263 56.793 58.100 -0.073 0.000 1.769 139 Y CB -1.153 37.275 38.460 -0.052 0.000 1.804 139 Y HN 0.079 nan 8.280 nan 0.000 0.451 140 H N 0.496 119.585 119.070 0.032 0.000 2.929 140 H HA 0.319 4.875 4.556 -0.000 0.000 0.358 140 H C 0.998 176.019 175.328 -0.511 0.000 1.111 140 H CA 0.564 56.528 56.048 -0.140 0.000 1.409 140 H CB 0.677 30.398 29.762 -0.068 0.000 1.373 140 H HN 0.678 nan 8.280 nan 0.000 0.610 141 G N 0.526 109.073 108.800 -0.422 0.000 2.543 141 G HA2 0.486 4.446 3.960 -0.000 0.000 0.267 141 G HA3 0.486 4.446 3.960 -0.000 0.000 0.267 141 G C -0.773 173.949 174.900 -0.297 0.000 1.406 141 G CA -0.905 43.733 45.100 -0.769 0.000 1.048 141 G HN 0.539 nan 8.290 nan 0.000 0.548 142 K N -0.624 119.676 120.400 -0.167 0.000 2.435 142 K HA 0.521 4.841 4.320 -0.000 0.000 0.251 142 K C -1.044 175.587 176.600 0.052 0.000 0.954 142 K CA -0.691 55.570 56.287 -0.044 0.000 0.820 142 K CB 2.182 34.662 32.500 -0.033 0.000 1.292 142 K HN 0.596 nan 8.250 nan 0.000 0.436 143 T N -0.579 114.024 114.554 0.082 0.000 2.756 143 T HA 0.540 4.889 4.350 -0.000 0.000 0.290 143 T C 0.014 174.794 174.700 0.133 0.000 0.985 143 T CA -0.732 61.476 62.100 0.180 0.000 0.955 143 T CB -0.192 68.809 68.868 0.220 0.000 0.930 143 T HN 0.374 nan 8.240 nan 0.000 0.451 144 I N 5.441 126.088 120.570 0.129 0.000 2.359 144 I HA 0.349 4.519 4.170 -0.000 0.000 0.294 144 I C -1.728 174.458 176.117 0.116 0.000 0.987 144 I CA -2.783 58.570 61.300 0.088 0.000 1.225 144 I CB 2.012 40.036 38.000 0.039 0.000 1.366 144 I HN 0.462 nan 8.210 nan 0.000 0.466 145 P HA 0.183 nan 4.420 nan 0.000 0.218 145 P C 0.032 177.383 177.300 0.085 0.000 1.793 145 P CA 0.032 63.187 63.100 0.091 0.000 0.941 145 P CB 0.128 31.865 31.700 0.062 0.000 1.919 146 I N 0.917 121.547 120.570 0.100 0.000 2.892 146 I HA 0.015 4.185 4.170 -0.000 0.000 0.287 146 I C 0.349 176.541 176.117 0.125 0.000 1.205 146 I CA 0.007 61.360 61.300 0.088 0.000 1.409 146 I CB 0.612 38.652 38.000 0.065 0.000 1.367 146 I HN 0.021 nan 8.210 nan 0.000 0.597 147 D N 4.450 124.917 120.400 0.111 0.000 2.368 147 D HA 0.411 5.051 4.640 -0.000 0.000 0.240 147 D C 0.365 176.805 176.300 0.233 0.000 1.169 147 D CA 1.158 55.235 54.000 0.129 0.000 0.906 147 D CB 0.625 41.481 40.800 0.094 0.000 1.187 147 D HN 0.938 nan 8.370 nan 0.000 0.435 148 G N 1.025 109.925 108.800 0.167 0.000 2.828 148 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.463 148 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.463 148 G C -0.654 174.242 174.900 -0.006 0.000 1.394 148 G CA -0.658 44.520 45.100 0.130 0.000 0.862 148 G HN 0.554 nan 8.290 nan 0.000 0.540 149 D N 0.913 121.115 120.400 -0.331 0.000 2.600 149 D HA 0.429 5.069 4.640 -0.000 0.000 0.226 149 D C -0.009 175.884 176.300 -0.680 0.000 1.119 149 D CA 1.101 54.861 54.000 -0.400 0.000 1.051 149 D CB -0.436 40.149 40.800 -0.359 0.000 1.106 149 D HN 0.259 nan 8.370 nan 0.000 0.491 150 F N 0.375 120.370 119.950 0.075 0.000 2.626 150 F HA 0.386 4.913 4.527 -0.001 0.000 0.311 150 F C -0.429 175.489 175.800 0.196 0.000 1.088 150 F CA -1.450 56.613 58.000 0.106 0.000 0.949 150 F CB 1.760 40.797 39.000 0.062 0.000 1.322 150 F HN -0.122 nan 8.300 nan 0.000 0.461 151 F N 2.054 122.164 119.950 0.266 0.000 2.434 151 F HA 0.642 5.169 4.527 -0.001 0.000 0.355 151 F C -0.751 175.177 175.800 0.214 0.000 1.115 151 F CA -1.156 56.959 58.000 0.191 0.000 1.010 151 F CB 1.027 40.121 39.000 0.158 0.000 1.234 151 F HN 0.231 nan 8.300 nan 0.000 0.439 152 S N 6.722 122.458 115.700 0.060 0.000 2.482 152 S HA 0.798 5.268 4.470 -0.000 0.000 0.303 152 S C -1.373 173.138 174.600 -0.149 0.000 1.091 152 S CA -0.288 57.810 58.200 -0.170 0.000 1.057 152 S CB 0.663 63.818 63.200 -0.076 0.000 1.031 152 S HN 0.681 nan 8.310 nan 0.000 0.485 153 Y N 0.192 120.255 120.300 -0.395 0.000 2.625 153 Y HA 0.764 5.314 4.550 -0.001 0.000 0.338 153 Y C -0.590 175.199 175.900 -0.184 0.000 1.123 153 Y CA -1.116 56.827 58.100 -0.262 0.000 1.046 153 Y CB 0.812 39.078 38.460 -0.324 0.000 1.299 153 Y HN 0.512 nan 8.280 nan 0.000 0.464 154 T N -0.007 114.541 114.554 -0.011 0.000 2.856 154 T HA 0.658 5.008 4.350 -0.000 0.000 0.283 154 T C -0.784 173.934 174.700 0.029 0.000 1.008 154 T CA -1.025 61.035 62.100 -0.068 0.000 0.997 154 T CB 1.764 70.615 68.868 -0.029 0.000 0.992 154 T HN 0.798 nan 8.240 nan 0.000 0.454 155 R N 1.119 121.639 120.500 0.033 0.000 2.338 155 R HA 0.295 4.634 4.340 -0.000 0.000 0.317 155 R C -0.393 176.012 176.300 0.176 0.000 0.968 155 R CA -0.637 55.521 56.100 0.096 0.000 0.849 155 R CB 0.894 31.249 30.300 0.092 0.000 1.128 155 R HN 0.748 nan 8.270 nan 0.000 0.448 156 H N 2.438 121.523 119.070 0.024 0.000 2.908 156 H HA 0.105 4.661 4.556 -0.001 0.000 0.269 156 H C -0.332 175.038 175.328 0.070 0.000 1.303 156 H CA -0.311 55.752 56.048 0.024 0.000 1.341 156 H CB 0.751 30.495 29.762 -0.030 0.000 1.519 156 H HN 0.394 nan 8.280 nan 0.000 0.505 157 E N 3.644 123.948 120.200 0.174 0.000 2.280 157 E HA 0.220 4.570 4.350 -0.000 0.000 0.264 157 E C -2.387 174.313 176.600 0.166 0.000 1.064 157 E CA -2.187 54.303 56.400 0.150 0.000 0.900 157 E CB 1.021 30.798 29.700 0.128 0.000 1.123 157 E HN 0.375 nan 8.360 nan 0.000 0.418 158 P HA -0.069 nan 4.420 nan 0.000 0.271 158 P C 0.434 177.851 177.300 0.195 0.000 1.218 158 P CA -0.023 63.217 63.100 0.235 0.000 0.780 158 P CB 0.774 32.701 31.700 0.379 0.000 0.901 159 V N 2.094 122.068 119.914 0.100 0.000 2.626 159 V HA 0.083 4.203 4.120 -0.000 0.000 0.252 159 V C 0.997 177.035 176.094 -0.092 0.000 1.067 159 V CA 2.644 64.960 62.300 0.027 0.000 1.081 159 V CB -1.114 30.710 31.823 0.002 0.000 0.686 159 V HN 0.941 nan 8.190 nan 0.000 0.468 160 G N -0.969 107.643 108.800 -0.314 0.000 2.250 160 G HA2 -0.111 3.848 3.960 -0.000 0.000 0.189 160 G HA3 -0.111 3.848 3.960 -0.000 0.000 0.189 160 G C -0.543 173.967 174.900 -0.649 0.000 1.298 160 G CA -0.241 44.302 45.100 -0.929 0.000 1.246 160 G HN 0.558 nan 8.290 nan 0.000 0.513 161 V N 1.155 120.794 119.914 -0.458 0.000 2.415 161 V HA 0.384 4.504 4.120 -0.000 0.000 0.267 161 V C 0.468 176.483 176.094 -0.131 0.000 1.042 161 V CA -0.118 62.036 62.300 -0.245 0.000 1.000 161 V CB 0.160 31.871 31.823 -0.187 0.000 1.015 161 V HN 0.820 nan 8.190 nan 0.000 0.478 162 C N 4.861 124.123 119.300 -0.064 0.000 2.273 162 C HA 0.674 5.134 4.460 -0.000 0.000 0.328 162 C C 1.067 176.072 174.990 0.026 0.000 1.275 162 C CA -0.966 58.067 59.018 0.025 0.000 1.704 162 C CB 0.226 28.054 27.740 0.147 0.000 2.326 162 C HN 0.989 nan 8.230 nan 0.000 0.517 163 G N 3.067 111.885 108.800 0.030 0.000 2.320 163 G HA2 0.505 4.465 3.960 -0.000 0.000 0.300 163 G HA3 0.505 4.465 3.960 -0.000 0.000 0.300 163 G C -0.703 174.249 174.900 0.086 0.000 1.126 163 G CA -0.151 44.972 45.100 0.038 0.000 0.896 163 G HN 0.820 nan 8.290 nan 0.000 0.436 164 Q N 2.012 121.865 119.800 0.088 0.000 2.339 164 Q HA 0.383 4.723 4.340 -0.000 0.000 0.268 164 Q C -0.630 175.440 176.000 0.118 0.000 1.027 164 Q CA -0.386 55.486 55.803 0.115 0.000 0.759 164 Q CB 2.518 31.314 28.738 0.097 0.000 1.244 164 Q HN 0.533 nan 8.270 nan 0.000 0.464 165 I N 5.130 125.803 120.570 0.171 0.000 2.328 165 I HA 0.397 4.567 4.170 -0.000 0.000 0.287 165 I C 0.054 176.232 176.117 0.102 0.000 1.012 165 I CA -0.705 60.716 61.300 0.202 0.000 1.195 165 I CB 0.544 38.770 38.000 0.377 0.000 1.350 165 I HN 0.518 nan 8.210 nan 0.000 0.464 166 I N 5.538 126.133 120.570 0.042 0.000 2.750 166 I HA 0.721 4.891 4.170 -0.000 0.000 0.308 166 I C -2.519 173.556 176.117 -0.070 0.000 1.016 166 I CA -2.212 59.057 61.300 -0.052 0.000 1.098 166 I CB 1.901 39.889 38.000 -0.020 0.000 1.279 166 I HN 0.227 nan 8.210 nan 0.000 0.454 167 P HA 0.159 nan 4.420 nan 0.000 0.323 167 P C -0.223 176.982 177.300 -0.159 0.000 1.309 167 P CA 0.004 62.931 63.100 -0.288 0.000 0.739 167 P CB 0.632 32.017 31.700 -0.526 0.000 1.454 168 W N -0.479 120.813 121.300 -0.014 0.000 2.975 168 W HA 0.083 4.743 4.660 -0.001 0.000 0.316 168 W C 1.094 177.542 176.519 -0.117 0.000 1.131 168 W CA 0.161 57.482 57.345 -0.039 0.000 1.624 168 W CB -1.579 27.867 29.460 -0.024 0.000 1.038 168 W HN 0.185 nan 8.180 nan 0.000 0.571 169 N N 2.442 120.966 118.700 -0.295 0.000 2.149 169 N HA -0.210 4.530 4.740 -0.000 0.000 0.188 169 N C -0.093 174.928 175.510 -0.816 0.000 1.019 169 N CA 1.086 53.859 53.050 -0.462 0.000 0.857 169 N CB -1.149 36.935 38.487 -0.672 0.000 0.997 169 N HN 0.130 nan 8.380 nan 0.000 0.426 170 F N -0.535 119.291 119.950 -0.206 0.000 2.872 170 F HA 0.419 4.946 4.527 -0.001 0.000 0.365 170 F C -1.853 173.828 175.800 -0.197 0.000 1.296 170 F CA -2.034 55.820 58.000 -0.243 0.000 1.199 170 F CB 2.188 40.949 39.000 -0.398 0.000 1.687 170 F HN -0.191 nan 8.300 nan 0.000 0.604 171 P HA -0.209 nan 4.420 nan 0.000 0.214 171 P C 1.889 179.189 177.300 0.000 0.000 1.169 171 P CA 1.685 64.795 63.100 0.018 0.000 0.908 171 P CB 0.424 32.146 31.700 0.036 0.000 0.791 172 L N -2.050 119.173 121.223 -0.001 0.000 2.056 172 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 172 L C 2.448 179.284 176.870 -0.056 0.000 1.078 172 L CA 0.892 55.728 54.840 -0.006 0.000 0.749 172 L CB -0.918 41.148 42.059 0.012 0.000 0.901 172 L HN -0.029 nan 8.230 nan 0.000 0.433 173 L N -0.728 120.421 121.223 -0.125 0.000 2.017 173 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 173 L C 2.530 179.128 176.870 -0.454 0.000 1.073 173 L CA 1.800 56.442 54.840 -0.330 0.000 0.745 173 L CB -0.395 41.340 42.059 -0.541 0.000 0.894 173 L HN 0.178 nan 8.230 nan 0.000 0.432 174 M N -1.028 118.364 119.600 -0.346 0.000 2.149 174 M HA -0.269 4.210 4.480 -0.000 0.000 0.261 174 M C 2.287 178.554 176.300 -0.055 0.000 1.064 174 M CA 1.746 56.908 55.300 -0.229 0.000 1.102 174 M CB -1.060 31.460 32.600 -0.134 0.000 1.369 174 M HN 0.518 nan 8.290 nan 0.000 0.408 175 Q N -0.225 119.550 119.800 -0.041 0.000 2.084 175 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 175 Q C 1.985 177.998 176.000 0.021 0.000 0.978 175 Q CA 1.826 57.627 55.803 -0.004 0.000 0.844 175 Q CB 0.026 28.760 28.738 -0.006 0.000 0.898 175 Q HN 0.489 nan 8.270 nan 0.000 0.426 176 A N 0.046 122.890 122.820 0.039 0.000 1.873 176 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 176 A C 1.518 179.249 177.584 0.245 0.000 1.186 176 A CA 1.143 53.252 52.037 0.120 0.000 0.616 176 A CB -1.123 17.962 19.000 0.141 0.000 0.823 176 A HN 0.613 nan 8.150 nan 0.000 0.442 177 W N 0.404 121.705 121.300 0.002 0.000 2.421 177 W HA -0.033 4.627 4.660 -0.000 0.000 0.270 177 W C 1.996 178.492 176.519 -0.039 0.000 1.233 177 W CA 1.228 58.581 57.345 0.013 0.000 1.226 177 W CB -0.142 29.325 29.460 0.012 0.000 1.121 177 W HN 0.241 nan 8.180 nan 0.000 0.579 178 K N -0.522 119.975 120.400 0.162 0.000 2.141 178 K HA 0.128 4.448 4.320 -0.000 0.000 0.202 178 K C 2.061 178.572 176.600 -0.148 0.000 1.045 178 K CA 0.624 56.929 56.287 0.029 0.000 0.971 178 K CB -0.908 31.627 32.500 0.059 0.000 0.795 178 K HN 0.184 nan 8.250 nan 0.000 0.459 179 L N 0.373 121.537 121.223 -0.097 0.000 2.056 179 L HA -0.057 4.282 4.340 -0.000 0.000 0.207 179 L C 2.468 179.241 176.870 -0.162 0.000 1.078 179 L CA 1.358 56.112 54.840 -0.143 0.000 0.749 179 L CB -1.123 40.869 42.059 -0.113 0.000 0.901 179 L HN 0.252 nan 8.230 nan 0.000 0.433 180 G N 1.462 110.199 108.800 -0.105 0.000 2.631 180 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 180 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 180 G C -0.446 174.217 174.900 -0.396 0.000 1.214 180 G CA 1.249 46.294 45.100 -0.092 0.000 0.785 180 G HN 0.323 nan 8.290 nan 0.000 0.596 181 P HA -0.007 nan 4.420 nan 0.000 0.216 181 P C 2.108 179.058 177.300 -0.584 0.000 1.153 181 P CA 2.039 64.586 63.100 -0.922 0.000 0.844 181 P CB -0.203 30.974 31.700 -0.871 0.000 0.787 182 A N 0.683 123.014 122.820 -0.816 0.000 1.865 182 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 182 A C 2.486 179.988 177.584 -0.136 0.000 1.191 182 A CA 1.681 53.309 52.037 -0.680 0.000 0.623 182 A CB -1.651 16.942 19.000 -0.679 0.000 0.826 182 A HN 0.127 nan 8.150 nan 0.000 0.444 183 L N -1.045 120.168 121.223 -0.017 0.000 2.156 183 L HA -0.105 4.234 4.340 -0.000 0.000 0.208 183 L C 3.032 180.079 176.870 0.295 0.000 1.095 183 L CA 0.810 55.833 54.840 0.304 0.000 0.770 183 L CB -0.597 41.657 42.059 0.325 0.000 0.914 183 L HN 0.445 nan 8.230 nan 0.000 0.439 184 A N 0.368 123.272 122.820 0.141 0.000 1.972 184 A HA -0.187 4.132 4.320 -0.000 0.000 0.219 184 A C 2.258 179.903 177.584 0.101 0.000 1.169 184 A CA 2.133 54.260 52.037 0.150 0.000 0.635 184 A CB -0.794 18.321 19.000 0.192 0.000 0.810 184 A HN 0.505 nan 8.150 nan 0.000 0.446 185 T N -4.372 110.223 114.554 0.068 0.000 3.107 185 T HA 0.412 4.762 4.350 -0.000 0.000 0.249 185 T C 1.228 175.976 174.700 0.079 0.000 1.096 185 T CA 0.969 63.116 62.100 0.079 0.000 1.012 185 T CB -0.001 68.917 68.868 0.082 0.000 0.977 185 T HN 1.695 nan 8.240 nan 0.000 0.527 186 G N 1.448 110.283 108.800 0.060 0.000 2.137 186 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.237 186 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.237 186 G C -0.066 175.030 174.900 0.328 0.000 1.002 186 G CA -0.187 44.867 45.100 -0.077 0.000 0.702 186 G HN 0.614 nan 8.290 nan 0.000 0.515 187 N N -0.831 118.127 118.700 0.430 0.000 2.405 187 N HA 0.607 5.347 4.740 -0.000 0.000 0.269 187 N C 0.354 176.151 175.510 0.478 0.000 1.249 187 N CA 0.353 53.622 53.050 0.365 0.000 0.974 187 N CB 1.744 40.322 38.487 0.152 0.000 1.204 187 N HN 0.569 nan 8.380 nan 0.000 0.565 188 V N -1.665 118.346 119.914 0.161 0.000 2.715 188 V HA 0.690 4.809 4.120 -0.000 0.000 0.310 188 V C -0.172 175.900 176.094 -0.037 0.000 1.054 188 V CA -0.755 61.569 62.300 0.039 0.000 0.928 188 V CB 1.571 33.415 31.823 0.035 0.000 1.007 188 V HN 0.237 nan 8.190 nan 0.000 0.437 189 V N 3.195 123.069 119.914 -0.067 0.000 2.680 189 V HA 0.623 4.743 4.120 -0.000 0.000 0.309 189 V C -0.473 175.592 176.094 -0.048 0.000 1.052 189 V CA -0.563 61.704 62.300 -0.054 0.000 0.908 189 V CB 2.201 33.985 31.823 -0.065 0.000 1.001 189 V HN 0.777 nan 8.190 nan 0.000 0.431 190 V N 5.085 124.981 119.914 -0.030 0.000 2.340 190 V HA 0.408 4.528 4.120 -0.000 0.000 0.277 190 V C -0.212 175.890 176.094 0.013 0.000 1.017 190 V CA -0.176 62.114 62.300 -0.018 0.000 0.820 190 V CB 1.292 33.089 31.823 -0.043 0.000 1.028 190 V HN 0.890 nan 8.190 nan 0.000 0.436 191 M N 4.682 124.297 119.600 0.025 0.000 2.209 191 M HA 0.547 5.027 4.480 -0.000 0.000 0.355 191 M C -0.452 175.887 176.300 0.066 0.000 1.171 191 M CA -0.490 54.836 55.300 0.043 0.000 1.069 191 M CB 1.115 33.731 32.600 0.026 0.000 1.622 191 M HN 0.340 nan 8.290 nan 0.000 0.459 192 K N 5.940 126.388 120.400 0.080 0.000 2.414 192 K HA 0.312 4.632 4.320 -0.000 0.000 0.251 192 K C -1.103 175.559 176.600 0.103 0.000 1.037 192 K CA -0.358 55.985 56.287 0.094 0.000 0.980 192 K CB 0.389 32.947 32.500 0.096 0.000 1.280 192 K HN 0.692 nan 8.250 nan 0.000 0.451 193 V N 1.028 121.007 119.914 0.109 0.000 3.003 193 V HA 0.536 4.655 4.120 -0.000 0.000 0.305 193 V C 0.604 176.781 176.094 0.137 0.000 1.078 193 V CA -0.969 61.400 62.300 0.115 0.000 1.083 193 V CB 0.763 32.658 31.823 0.121 0.000 1.039 193 V HN 0.670 nan 8.190 nan 0.000 0.481 194 A N 3.014 125.927 122.820 0.155 0.000 2.511 194 A HA 0.229 4.549 4.320 -0.000 0.000 0.242 194 A C 1.349 179.047 177.584 0.190 0.000 1.069 194 A CA 0.376 52.537 52.037 0.207 0.000 0.763 194 A CB -0.003 19.191 19.000 0.323 0.000 1.001 194 A HN 1.162 nan 8.150 nan 0.000 0.498 195 E N 2.000 122.284 120.200 0.141 0.000 2.265 195 E HA -0.265 4.085 4.350 -0.000 0.000 0.196 195 E C 1.072 177.783 176.600 0.185 0.000 0.996 195 E CA 1.685 58.127 56.400 0.071 0.000 0.832 195 E CB -0.224 29.467 29.700 -0.015 0.000 0.756 195 E HN 0.829 nan 8.360 nan 0.000 0.491 196 Q N 0.828 120.702 119.800 0.123 0.000 2.172 196 Q HA -0.008 4.332 4.340 -0.000 0.000 0.200 196 Q C 0.715 176.770 176.000 0.092 0.000 0.964 196 Q CA 1.752 57.579 55.803 0.039 0.000 0.855 196 Q CB 0.343 28.968 28.738 -0.190 0.000 0.918 196 Q HN 0.449 nan 8.270 nan 0.000 0.444 197 T N -3.195 111.454 114.554 0.158 0.000 3.418 197 T HA 0.311 4.661 4.350 -0.000 0.000 0.315 197 T C -2.472 172.318 174.700 0.150 0.000 1.447 197 T CA -1.370 60.811 62.100 0.136 0.000 1.641 197 T CB 1.284 70.233 68.868 0.135 0.000 0.904 197 T HN -0.033 nan 8.240 nan 0.000 0.640 198 P HA 0.232 nan 4.420 nan 0.000 0.238 198 P C 1.661 179.040 177.300 0.131 0.000 1.183 198 P CA -0.170 63.039 63.100 0.181 0.000 0.813 198 P CB 0.422 32.291 31.700 0.282 0.000 0.944 199 L N 0.678 121.956 121.223 0.091 0.000 1.971 199 L HA -0.188 4.151 4.340 -0.000 0.000 0.215 199 L C 2.819 179.747 176.870 0.097 0.000 1.072 199 L CA 2.966 57.844 54.840 0.063 0.000 0.758 199 L CB -2.178 39.888 42.059 0.012 0.000 0.889 199 L HN 0.116 nan 8.230 nan 0.000 0.433 200 T N -1.918 112.680 114.554 0.073 0.000 2.684 200 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 200 T C 1.971 176.759 174.700 0.147 0.000 1.036 200 T CA 1.134 63.290 62.100 0.094 0.000 1.148 200 T CB -0.606 68.286 68.868 0.040 0.000 0.863 200 T HN 0.357 nan 8.240 nan 0.000 0.436 201 A N 1.940 124.827 122.820 0.111 0.000 1.908 201 A HA 0.064 4.384 4.320 -0.000 0.000 0.218 201 A C 2.498 180.144 177.584 0.104 0.000 1.181 201 A CA 1.653 53.745 52.037 0.090 0.000 0.627 201 A CB -1.021 18.028 19.000 0.081 0.000 0.818 201 A HN 0.563 nan 8.150 nan 0.000 0.445 202 L N -2.398 118.927 121.223 0.168 0.000 2.083 202 L HA -0.192 4.147 4.340 -0.000 0.000 0.209 202 L C 2.589 179.637 176.870 0.296 0.000 1.083 202 L CA 1.728 56.729 54.840 0.269 0.000 0.752 202 L CB -0.643 41.564 42.059 0.247 0.000 0.899 202 L HN 0.581 nan 8.230 nan 0.000 0.433 203 Y N 0.233 120.631 120.300 0.164 0.000 2.242 203 Y HA -0.204 4.346 4.550 -0.001 0.000 0.291 203 Y C 2.396 178.387 175.900 0.151 0.000 1.137 203 Y CA 1.375 59.602 58.100 0.210 0.000 1.181 203 Y CB -0.154 38.475 38.460 0.280 0.000 0.989 203 Y HN -0.166 nan 8.280 nan 0.000 0.527 204 V N 0.351 120.338 119.914 0.121 0.000 2.490 204 V HA -0.341 3.779 4.120 -0.000 0.000 0.250 204 V C 2.626 178.590 176.094 -0.216 0.000 1.061 204 V CA 1.657 63.951 62.300 -0.011 0.000 1.064 204 V CB -1.501 30.335 31.823 0.023 0.000 0.670 204 V HN 0.574 nan 8.190 nan 0.000 0.461 205 A N 0.189 122.806 122.820 -0.338 0.000 1.978 205 A HA -0.276 4.043 4.320 -0.000 0.000 0.220 205 A C 2.059 179.178 177.584 -0.775 0.000 1.170 205 A CA 2.261 53.776 52.037 -0.871 0.000 0.636 205 A CB -0.750 17.365 19.000 -1.475 0.000 0.810 205 A HN 0.580 nan 8.150 nan 0.000 0.448 206 N N -0.152 118.352 118.700 -0.327 0.000 2.188 206 N HA -0.029 4.711 4.740 -0.000 0.000 0.184 206 N C 1.496 176.917 175.510 -0.149 0.000 1.018 206 N CA 1.143 54.136 53.050 -0.095 0.000 0.858 206 N CB -0.299 38.144 38.487 -0.074 0.000 0.989 206 N HN 0.498 nan 8.380 nan 0.000 0.426 207 L N -0.156 120.932 121.223 -0.225 0.000 2.217 207 L HA -0.001 4.338 4.340 -0.000 0.000 0.211 207 L C 1.863 178.715 176.870 -0.030 0.000 1.107 207 L CA 0.532 55.313 54.840 -0.097 0.000 0.783 207 L CB -0.263 41.769 42.059 -0.046 0.000 0.919 207 L HN 0.211 nan 8.230 nan 0.000 0.442 208 I N 0.158 120.654 120.570 -0.123 0.000 2.252 208 I HA -0.296 3.873 4.170 -0.000 0.000 0.245 208 I C 2.713 178.898 176.117 0.114 0.000 1.102 208 I CA 1.282 62.503 61.300 -0.132 0.000 1.385 208 I CB -0.263 37.508 38.000 -0.382 0.000 1.064 208 I HN 0.261 nan 8.210 nan 0.000 0.414 209 K N 1.334 121.798 120.400 0.107 0.000 2.026 209 K HA -0.255 4.064 4.320 -0.000 0.000 0.208 209 K C 2.097 178.779 176.600 0.137 0.000 1.048 209 K CA 1.734 58.125 56.287 0.174 0.000 0.929 209 K CB -0.110 32.510 32.500 0.199 0.000 0.713 209 K HN 0.247 nan 8.250 nan 0.000 0.439 210 E N -0.080 120.179 120.200 0.099 0.000 2.110 210 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 210 E C 1.697 178.361 176.600 0.108 0.000 0.988 210 E CA 1.013 57.462 56.400 0.082 0.000 0.804 210 E CB -0.124 29.606 29.700 0.050 0.000 0.745 210 E HN 0.462 nan 8.360 nan 0.000 0.458 211 A N 0.021 122.941 122.820 0.167 0.000 2.019 211 A HA 0.009 4.328 4.320 -0.000 0.000 0.219 211 A C 1.861 179.508 177.584 0.106 0.000 1.164 211 A CA 1.527 53.678 52.037 0.191 0.000 0.644 211 A CB -0.484 18.750 19.000 0.390 0.000 0.805 211 A HN 0.536 nan 8.150 nan 0.000 0.449 212 G N -3.019 105.864 108.800 0.139 0.000 2.154 212 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.186 212 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.186 212 G C -0.088 174.821 174.900 0.014 0.000 1.000 212 G CA -0.230 44.902 45.100 0.052 0.000 0.664 212 G HN 0.260 nan 8.290 nan 0.000 0.513 213 F N 1.552 121.508 119.950 0.010 0.000 2.538 213 F HA 0.428 4.954 4.527 -0.001 0.000 0.371 213 F C -1.214 174.550 175.800 -0.060 0.000 1.087 213 F CA -1.633 56.339 58.000 -0.046 0.000 1.250 213 F CB 0.544 39.467 39.000 -0.128 0.000 1.110 213 F HN -0.106 nan 8.300 nan 0.000 0.570 214 P HA 0.020 nan 4.420 nan 0.000 0.267 214 P C -2.430 174.854 177.300 -0.026 0.000 1.200 214 P CA -0.829 62.295 63.100 0.040 0.000 0.772 214 P CB -0.091 31.664 31.700 0.091 0.000 0.855 215 P HA -0.025 nan 4.420 nan 0.000 0.264 215 P C 0.824 178.060 177.300 -0.105 0.000 1.193 215 P CA 0.954 63.998 63.100 -0.093 0.000 0.763 215 P CB 0.319 31.968 31.700 -0.085 0.000 0.810 216 G N 1.817 110.527 108.800 -0.149 0.000 2.234 216 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.235 216 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.235 216 G C 0.886 175.696 174.900 -0.151 0.000 0.997 216 G CA 0.159 45.182 45.100 -0.129 0.000 0.623 216 G HN 0.372 nan 8.290 nan 0.000 0.514 217 V N 0.070 119.839 119.914 -0.241 0.000 2.343 217 V HA 0.059 4.178 4.120 -0.000 0.000 0.247 217 V C 1.435 177.358 176.094 -0.285 0.000 1.051 217 V CA 2.056 64.092 62.300 -0.439 0.000 1.036 217 V CB -0.018 31.318 31.823 -0.812 0.000 0.654 217 V HN 0.459 nan 8.190 nan 0.000 0.451 218 V N 1.527 121.331 119.914 -0.184 0.000 2.483 218 V HA 0.487 4.607 4.120 -0.000 0.000 0.297 218 V C -0.862 175.263 176.094 0.051 0.000 1.027 218 V CA -0.772 61.465 62.300 -0.106 0.000 0.855 218 V CB 1.713 33.424 31.823 -0.187 0.000 0.995 218 V HN 0.428 nan 8.190 nan 0.000 0.424 219 N N 5.312 124.034 118.700 0.036 0.000 2.352 219 N HA 0.620 5.360 4.740 -0.000 0.000 0.291 219 N C -1.222 174.348 175.510 0.100 0.000 1.040 219 N CA -0.388 52.718 53.050 0.092 0.000 0.864 219 N CB 3.020 41.492 38.487 -0.025 0.000 1.440 219 N HN 0.513 nan 8.380 nan 0.000 0.483 220 I N 1.490 122.168 120.570 0.180 0.000 2.378 220 I HA 0.351 4.521 4.170 -0.000 0.000 0.291 220 I C -0.281 175.933 176.117 0.162 0.000 0.992 220 I CA -0.994 60.386 61.300 0.134 0.000 1.154 220 I CB 1.933 39.997 38.000 0.106 0.000 1.315 220 I HN 0.055 nan 8.210 nan 0.000 0.448 221 V N 7.862 127.852 119.914 0.126 0.000 2.305 221 V HA 0.295 4.415 4.120 -0.000 0.000 0.275 221 V C -2.159 174.018 176.094 0.137 0.000 1.020 221 V CA -1.566 60.810 62.300 0.126 0.000 0.811 221 V CB 1.132 33.002 31.823 0.079 0.000 1.031 221 V HN 0.580 nan 8.190 nan 0.000 0.439 222 P HA 0.559 nan 4.420 nan 0.000 0.275 222 P C 0.164 177.568 177.300 0.173 0.000 1.227 222 P CA 0.532 63.774 63.100 0.238 0.000 0.781 222 P CB 2.110 34.018 31.700 0.347 0.000 0.906 223 G N 1.340 110.114 108.800 -0.043 0.000 2.327 223 G HA2 0.310 4.270 3.960 -0.000 0.000 0.291 223 G HA3 0.310 4.270 3.960 -0.000 0.000 0.291 223 G C -1.455 173.204 174.900 -0.402 0.000 1.290 223 G CA -0.880 43.969 45.100 -0.418 0.000 0.857 223 G HN 0.297 nan 8.290 nan 0.000 0.520 224 F N 0.351 120.165 119.950 -0.226 0.000 2.368 224 F HA 0.497 5.024 4.527 -0.001 0.000 0.315 224 F C 1.910 177.674 175.800 -0.059 0.000 1.145 224 F CA -0.169 57.733 58.000 -0.164 0.000 1.095 224 F CB 1.302 40.215 39.000 -0.144 0.000 1.286 224 F HN 0.645 nan 8.300 nan 0.000 0.530 225 G N 0.460 109.378 108.800 0.196 0.000 2.464 225 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.214 225 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.214 225 G C -1.053 173.898 174.900 0.084 0.000 1.218 225 G CA 0.509 45.682 45.100 0.122 0.000 0.794 225 G HN 0.429 nan 8.290 nan 0.000 0.542 226 P HA -0.053 nan 4.420 nan 0.000 0.221 226 P C 1.906 179.239 177.300 0.054 0.000 1.145 226 P CA 2.028 65.155 63.100 0.044 0.000 0.795 226 P CB -0.066 31.654 31.700 0.033 0.000 0.775 227 T N -3.196 111.410 114.554 0.087 0.000 3.356 227 T HA 0.203 4.552 4.350 -0.000 0.000 0.220 227 T C 1.960 176.687 174.700 0.046 0.000 0.963 227 T CA 0.682 62.823 62.100 0.068 0.000 1.540 227 T CB -1.213 67.704 68.868 0.082 0.000 1.320 227 T HN -0.088 nan 8.240 nan 0.000 0.448 228 A N 1.675 124.517 122.820 0.038 0.000 1.898 228 A HA 0.270 4.590 4.320 -0.000 0.000 0.216 228 A C 2.650 180.265 177.584 0.052 0.000 1.181 228 A CA 1.841 53.900 52.037 0.037 0.000 0.620 228 A CB -1.738 17.274 19.000 0.021 0.000 0.819 228 A HN 0.697 nan 8.150 nan 0.000 0.442 229 G N -0.360 108.476 108.800 0.061 0.000 2.459 229 G HA2 -0.029 3.930 3.960 -0.000 0.000 0.217 229 G HA3 -0.029 3.930 3.960 -0.000 0.000 0.217 229 G C 1.762 176.682 174.900 0.034 0.000 1.183 229 G CA 1.554 46.693 45.100 0.064 0.000 0.776 229 G HN 0.843 nan 8.290 nan 0.000 0.552 230 A N 0.958 123.790 122.820 0.020 0.000 2.019 230 A HA 0.303 4.622 4.320 -0.000 0.000 0.219 230 A C 2.764 180.356 177.584 0.014 0.000 1.164 230 A CA 2.092 54.128 52.037 -0.001 0.000 0.644 230 A CB -0.614 18.383 19.000 -0.005 0.000 0.805 230 A HN 0.787 nan 8.150 nan 0.000 0.449 231 A N 0.152 122.992 122.820 0.032 0.000 1.902 231 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 231 A C 2.097 179.737 177.584 0.092 0.000 1.181 231 A CA 1.510 53.576 52.037 0.048 0.000 0.623 231 A CB -0.533 18.501 19.000 0.057 0.000 0.818 231 A HN 0.508 nan 8.150 nan 0.000 0.443 232 I N -0.396 120.223 120.570 0.083 0.000 2.202 232 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 232 I C 2.947 179.107 176.117 0.073 0.000 1.091 232 I CA 1.031 62.383 61.300 0.087 0.000 1.368 232 I CB -0.455 37.580 38.000 0.058 0.000 1.058 232 I HN 0.349 nan 8.210 nan 0.000 0.410 233 A N -0.025 122.816 122.820 0.035 0.000 1.972 233 A HA -0.148 4.171 4.320 -0.000 0.000 0.219 233 A C 2.318 179.910 177.584 0.013 0.000 1.169 233 A CA 2.003 54.042 52.037 0.004 0.000 0.635 233 A CB -0.418 18.555 19.000 -0.045 0.000 0.810 233 A HN 0.404 nan 8.150 nan 0.000 0.446 234 S N -1.224 114.490 115.700 0.024 0.000 2.540 234 S HA 0.096 4.566 4.470 -0.000 0.000 0.218 234 S C 0.558 175.177 174.600 0.032 0.000 0.977 234 S CA -0.570 57.638 58.200 0.012 0.000 0.918 234 S CB -0.206 62.986 63.200 -0.014 0.000 0.806 234 S HN 0.676 nan 8.310 nan 0.000 0.496 235 H N 2.864 121.926 119.070 -0.012 0.000 2.928 235 H HA 0.067 4.622 4.556 -0.000 0.000 0.338 235 H C 0.892 176.215 175.328 -0.009 0.000 1.047 235 H CA 0.629 56.672 56.048 -0.009 0.000 1.435 235 H CB 0.637 30.395 29.762 -0.006 0.000 1.428 235 H HN 0.120 nan 8.280 nan 0.000 0.590 236 E N 2.995 123.266 120.200 0.119 0.000 2.427 236 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 236 E C 0.713 177.437 176.600 0.206 0.000 1.028 236 E CA 0.731 57.204 56.400 0.122 0.000 0.864 236 E CB 0.241 29.953 29.700 0.019 0.000 0.813 236 E HN 0.606 nan 8.360 nan 0.000 0.514 237 D N -0.533 120.122 120.400 0.426 0.000 2.431 237 D HA 0.040 4.680 4.640 -0.000 0.000 0.213 237 D C -0.636 175.645 176.300 -0.033 0.000 1.130 237 D CA -0.003 54.082 54.000 0.143 0.000 0.834 237 D CB 0.707 41.587 40.800 0.133 0.000 0.985 237 D HN -0.219 nan 8.370 nan 0.000 0.504 238 V N 1.769 121.666 119.914 -0.028 0.000 2.406 238 V HA 0.140 4.260 4.120 -0.000 0.000 0.272 238 V C 0.846 176.919 176.094 -0.034 0.000 1.043 238 V CA -0.382 61.869 62.300 -0.081 0.000 0.915 238 V CB 1.638 33.421 31.823 -0.066 0.000 0.988 238 V HN 0.095 nan 8.190 nan 0.000 0.466 239 D N 2.869 123.233 120.400 -0.059 0.000 2.162 239 D HA 0.010 4.650 4.640 -0.000 0.000 0.203 239 D C 0.854 177.130 176.300 -0.041 0.000 0.967 239 D CA 1.087 55.058 54.000 -0.047 0.000 0.840 239 D CB 0.584 41.338 40.800 -0.076 0.000 0.972 239 D HN 0.368 nan 8.370 nan 0.000 0.482 240 K N 0.646 121.022 120.400 -0.040 0.000 2.469 240 K HA 0.407 4.727 4.320 -0.000 0.000 0.254 240 K C -1.845 174.751 176.600 -0.007 0.000 0.939 240 K CA -0.639 55.626 56.287 -0.037 0.000 0.812 240 K CB 3.151 35.617 32.500 -0.055 0.000 1.301 240 K HN -0.154 nan 8.250 nan 0.000 0.433 241 V N 2.236 122.146 119.914 -0.007 0.000 2.577 241 V HA 0.757 4.877 4.120 -0.000 0.000 0.303 241 V C -1.356 174.770 176.094 0.054 0.000 1.042 241 V CA -0.430 61.891 62.300 0.035 0.000 0.872 241 V CB 1.484 33.324 31.823 0.029 0.000 0.998 241 V HN 0.876 nan 8.190 nan 0.000 0.423 242 A N 6.606 129.494 122.820 0.114 0.000 2.318 242 A HA 0.902 5.222 4.320 -0.000 0.000 0.324 242 A C -1.323 176.397 177.584 0.227 0.000 1.170 242 A CA -0.466 51.656 52.037 0.142 0.000 0.810 242 A CB 1.093 20.207 19.000 0.190 0.000 1.198 242 A HN 1.191 nan 8.150 nan 0.000 0.484 243 F N 1.483 121.457 119.950 0.041 0.000 2.578 243 F HA 0.730 5.256 4.527 -0.000 0.000 0.311 243 F C -0.560 175.267 175.800 0.044 0.000 1.094 243 F CA -0.112 57.911 58.000 0.038 0.000 0.923 243 F CB 2.480 41.492 39.000 0.020 0.000 1.230 243 F HN 0.443 nan 8.300 nan 0.000 0.450 244 T N 3.959 117.896 114.554 -1.027 0.000 3.031 244 T HA 0.743 5.092 4.350 -0.000 0.000 0.305 244 T C -0.281 173.771 174.700 -1.080 0.000 0.985 244 T CA -0.263 61.389 62.100 -0.748 0.000 1.008 244 T CB 1.101 69.803 68.868 -0.277 0.000 1.005 244 T HN 1.138 nan 8.240 nan 0.000 0.444 245 G N 2.031 110.335 108.800 -0.826 0.000 2.498 245 G HA2 0.485 4.445 3.960 -0.000 0.000 0.181 245 G HA3 0.485 4.445 3.960 -0.000 0.000 0.181 245 G C -0.591 174.233 174.900 -0.127 0.000 1.169 245 G CA -0.186 44.625 45.100 -0.482 0.000 0.992 245 G HN 0.959 nan 8.290 nan 0.000 0.490 246 S N -0.209 115.529 115.700 0.064 0.000 2.585 246 S HA 0.437 4.907 4.470 -0.000 0.000 0.273 246 S C 1.270 175.983 174.600 0.187 0.000 1.339 246 S CA 0.987 59.239 58.200 0.087 0.000 1.028 246 S CB 1.354 64.604 63.200 0.083 0.000 0.906 246 S HN 0.750 nan 8.310 nan 0.000 0.528 247 T N 1.084 115.720 114.554 0.137 0.000 2.821 247 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 247 T C 1.620 176.363 174.700 0.071 0.000 1.046 247 T CA 1.550 63.721 62.100 0.119 0.000 1.139 247 T CB -0.465 68.453 68.868 0.085 0.000 0.871 247 T HN 0.835 nan 8.240 nan 0.000 0.454 248 E N 0.528 120.762 120.200 0.057 0.000 2.038 248 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 248 E C 1.930 178.526 176.600 -0.007 0.000 1.000 248 E CA 1.122 57.534 56.400 0.020 0.000 0.803 248 E CB -0.048 29.666 29.700 0.024 0.000 0.750 248 E HN 0.271 nan 8.360 nan 0.000 0.448 249 I N 0.783 121.358 120.570 0.008 0.000 2.676 249 I HA -0.092 4.078 4.170 -0.000 0.000 0.259 249 I C 2.411 178.351 176.117 -0.295 0.000 1.194 249 I CA 1.136 62.366 61.300 -0.117 0.000 1.473 249 I CB -1.606 36.358 38.000 -0.061 0.000 1.096 249 I HN 0.217 nan 8.210 nan 0.000 0.443 250 G N 1.016 109.758 108.800 -0.097 0.000 2.418 250 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.217 250 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.217 250 G C 1.909 176.740 174.900 -0.115 0.000 1.158 250 G CA 0.324 45.376 45.100 -0.081 0.000 0.771 250 G HN 0.301 nan 8.290 nan 0.000 0.545 251 R N -0.299 120.157 120.500 -0.073 0.000 2.081 251 R HA -0.027 4.312 4.340 -0.000 0.000 0.235 251 R C 2.694 178.938 176.300 -0.094 0.000 1.131 251 R CA 1.177 57.236 56.100 -0.068 0.000 0.960 251 R CB -0.626 29.645 30.300 -0.048 0.000 0.856 251 R HN 0.292 nan 8.270 nan 0.000 0.436 252 V N 1.611 121.453 119.914 -0.119 0.000 2.332 252 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 252 V C 2.338 178.342 176.094 -0.150 0.000 1.055 252 V CA 1.566 63.792 62.300 -0.123 0.000 1.038 252 V CB -0.413 31.334 31.823 -0.128 0.000 0.651 252 V HN 0.270 nan 8.190 nan 0.000 0.450 253 I N -0.160 120.268 120.570 -0.237 0.000 2.179 253 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 253 I C 2.528 178.567 176.117 -0.130 0.000 1.088 253 I CA 1.986 63.147 61.300 -0.233 0.000 1.357 253 I CB -1.183 36.581 38.000 -0.395 0.000 1.051 253 I HN 0.454 nan 8.210 nan 0.000 0.409 254 Q N 0.726 120.461 119.800 -0.109 0.000 2.079 254 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 254 Q C 2.330 178.295 176.000 -0.058 0.000 0.974 254 Q CA 1.625 57.388 55.803 -0.067 0.000 0.840 254 Q CB 0.118 28.824 28.738 -0.053 0.000 0.898 254 Q HN 0.294 nan 8.270 nan 0.000 0.430 255 V N 0.775 120.652 119.914 -0.062 0.000 2.427 255 V HA -0.237 3.882 4.120 -0.000 0.000 0.248 255 V C 2.283 178.349 176.094 -0.047 0.000 1.051 255 V CA 1.652 63.923 62.300 -0.050 0.000 1.048 255 V CB -0.915 30.878 31.823 -0.049 0.000 0.666 255 V HN 0.535 nan 8.190 nan 0.000 0.456 256 A N -0.083 122.704 122.820 -0.056 0.000 1.933 256 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 256 A C 2.398 179.961 177.584 -0.034 0.000 1.175 256 A CA 1.970 53.979 52.037 -0.046 0.000 0.628 256 A CB -0.618 18.348 19.000 -0.055 0.000 0.814 256 A HN 0.554 nan 8.150 nan 0.000 0.444 257 A N -0.562 122.236 122.820 -0.037 0.000 1.898 257 A HA 0.188 4.507 4.320 -0.000 0.000 0.216 257 A C 2.372 179.942 177.584 -0.024 0.000 1.181 257 A CA 1.728 53.749 52.037 -0.027 0.000 0.620 257 A CB -1.254 17.727 19.000 -0.031 0.000 0.819 257 A HN 0.703 nan 8.150 nan 0.000 0.442 258 G N -1.138 107.645 108.800 -0.029 0.000 2.448 258 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.218 258 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.218 258 G C 1.630 176.517 174.900 -0.023 0.000 1.135 258 G CA 1.191 46.276 45.100 -0.026 0.000 0.784 258 G HN 0.478 nan 8.290 nan 0.000 0.543 259 S N 0.086 115.771 115.700 -0.024 0.000 2.470 259 S HA 0.034 4.504 4.470 -0.000 0.000 0.225 259 S C 2.341 176.929 174.600 -0.019 0.000 1.006 259 S CA 0.885 59.071 58.200 -0.022 0.000 0.934 259 S CB 0.068 63.253 63.200 -0.025 0.000 0.778 259 S HN 0.625 nan 8.310 nan 0.000 0.517 260 S N 3.390 119.080 115.700 -0.016 0.000 2.970 260 S HA 0.085 4.555 4.470 -0.000 0.000 0.165 260 S C 1.010 175.607 174.600 -0.005 0.000 0.813 260 S CA 0.259 58.453 58.200 -0.011 0.000 1.195 260 S CB -0.628 62.569 63.200 -0.005 0.000 0.633 260 S HN 0.457 nan 8.310 nan 0.000 0.543 261 N N 1.262 119.964 118.700 0.004 0.000 2.235 261 N HA 0.241 4.981 4.740 -0.000 0.000 0.209 261 N C 0.123 175.633 175.510 0.000 0.000 1.122 261 N CA -0.082 52.972 53.050 0.007 0.000 0.845 261 N CB -0.706 37.794 38.487 0.023 0.000 1.004 261 N HN 0.637 nan 8.380 nan 0.000 0.499 262 L N -0.401 120.818 121.223 -0.007 0.000 3.634 262 L HA -0.291 4.049 4.340 -0.000 0.000 0.423 262 L C -0.046 176.815 176.870 -0.015 0.000 1.253 262 L CA 0.551 55.383 54.840 -0.013 0.000 0.885 262 L CB -1.629 40.422 42.059 -0.014 0.000 1.789 262 L HN 0.460 nan 8.230 nan 0.000 0.904 263 K N -0.392 120.000 120.400 -0.012 0.000 2.319 263 K HA 0.486 4.806 4.320 -0.000 0.000 0.265 263 K C 0.339 176.922 176.600 -0.029 0.000 1.000 263 K CA -0.796 55.481 56.287 -0.017 0.000 0.943 263 K CB 0.530 33.024 32.500 -0.010 0.000 0.950 263 K HN -0.004 nan 8.250 nan 0.000 0.485 264 R N 0.819 121.296 120.500 -0.039 0.000 2.590 264 R HA 0.176 4.515 4.340 -0.000 0.000 0.274 264 R C -0.583 175.683 176.300 -0.056 0.000 1.061 264 R CA -0.187 55.879 56.100 -0.055 0.000 1.081 264 R CB 0.693 30.947 30.300 -0.077 0.000 0.984 264 R HN 0.467 nan 8.270 nan 0.000 0.448 265 V N 1.149 121.030 119.914 -0.055 0.000 2.789 265 V HA 0.668 4.788 4.120 -0.000 0.000 0.311 265 V C -0.509 175.558 176.094 -0.044 0.000 1.073 265 V CA -0.946 61.331 62.300 -0.039 0.000 0.921 265 V CB 2.291 34.099 31.823 -0.025 0.000 1.009 265 V HN 0.959 nan 8.190 nan 0.000 0.426 266 T N 2.012 116.553 114.554 -0.021 0.000 2.971 266 T HA 0.831 5.181 4.350 -0.000 0.000 0.304 266 T C -1.040 173.693 174.700 0.056 0.000 1.038 266 T CA -0.600 61.490 62.100 -0.016 0.000 1.007 266 T CB 1.423 70.249 68.868 -0.071 0.000 1.055 266 T HN 0.444 nan 8.240 nan 0.000 0.451 267 L N 1.457 122.717 121.223 0.063 0.000 2.333 267 L HA 0.803 5.143 4.340 -0.000 0.000 0.263 267 L C -0.313 176.599 176.870 0.070 0.000 1.014 267 L CA -0.948 53.966 54.840 0.123 0.000 0.820 267 L CB 2.273 44.427 42.059 0.158 0.000 1.352 267 L HN 0.631 nan 8.230 nan 0.000 0.421 268 E N 2.930 123.169 120.200 0.064 0.000 2.409 268 E HA 0.335 4.684 4.350 -0.000 0.000 0.259 268 E C -1.653 174.958 176.600 0.019 0.000 0.932 268 E CA -0.273 56.142 56.400 0.025 0.000 0.809 268 E CB 1.511 31.233 29.700 0.035 0.000 1.341 268 E HN 0.534 nan 8.360 nan 0.000 0.405 269 L N 3.523 124.792 121.223 0.076 0.000 2.709 269 L HA 0.472 4.812 4.340 -0.000 0.000 0.236 269 L C 0.892 177.848 176.870 0.143 0.000 1.266 269 L CA -0.431 54.475 54.840 0.110 0.000 0.987 269 L CB 0.645 42.809 42.059 0.174 0.000 1.306 269 L HN 0.704 nan 8.230 nan 0.000 0.467 270 G N 0.729 109.552 108.800 0.039 0.000 2.682 270 G HA2 0.087 4.047 3.960 -0.000 0.000 0.256 270 G HA3 0.087 4.047 3.960 -0.000 0.000 0.256 270 G C -0.016 174.764 174.900 -0.199 0.000 1.333 270 G CA -0.258 44.815 45.100 -0.045 0.000 0.904 270 G HN 0.955 nan 8.290 nan 0.000 0.569 271 G N -2.277 106.141 108.800 -0.637 0.000 2.441 271 G HA2 0.670 4.629 3.960 -0.000 0.000 0.294 271 G HA3 0.670 4.629 3.960 -0.000 0.000 0.294 271 G C -0.956 173.477 174.900 -0.779 0.000 1.393 271 G CA 0.446 44.979 45.100 -0.945 0.000 0.796 271 G HN 1.229 nan 8.290 nan 0.000 0.494 272 K N 0.595 120.769 120.400 -0.377 0.000 3.309 272 K HA 0.461 4.781 4.320 -0.000 0.000 0.187 272 K C 0.117 176.743 176.600 0.044 0.000 1.085 272 K CA -0.314 55.912 56.287 -0.102 0.000 0.867 272 K CB 0.129 32.663 32.500 0.058 0.000 0.846 272 K HN 0.472 nan 8.250 nan 0.000 0.522 273 S N 3.792 119.537 115.700 0.075 0.000 2.596 273 S HA 0.054 4.524 4.470 -0.000 0.000 0.298 273 S C -2.248 172.479 174.600 0.211 0.000 1.255 273 S CA -0.476 57.827 58.200 0.171 0.000 1.083 273 S CB 0.006 63.376 63.200 0.283 0.000 0.837 273 S HN 0.367 nan 8.310 nan 0.000 0.499 274 P HA 0.158 nan 4.420 nan 0.000 0.280 274 P C -0.940 176.556 177.300 0.327 0.000 1.244 274 P CA -0.584 62.697 63.100 0.302 0.000 0.784 274 P CB 0.542 32.432 31.700 0.317 0.000 0.913 275 N N 3.560 122.447 118.700 0.312 0.000 2.696 275 N HA 0.271 5.011 4.740 -0.000 0.000 0.246 275 N C -0.549 175.125 175.510 0.273 0.000 1.057 275 N CA -0.572 52.664 53.050 0.310 0.000 0.867 275 N CB 0.305 38.870 38.487 0.130 0.000 1.141 275 N HN 0.306 nan 8.380 nan 0.000 0.517 276 I N 3.922 124.663 120.570 0.285 0.000 2.452 276 I HA 0.179 4.349 4.170 -0.000 0.000 0.287 276 I C 0.047 176.338 176.117 0.290 0.000 1.079 276 I CA -0.287 61.148 61.300 0.226 0.000 1.387 276 I CB 0.746 38.768 38.000 0.036 0.000 1.404 276 I HN 0.344 nan 8.210 nan 0.000 0.522 277 I N 7.297 128.026 120.570 0.265 0.000 2.371 277 I HA 0.297 4.466 4.170 -0.000 0.000 0.282 277 I C 0.155 176.437 176.117 0.276 0.000 1.031 277 I CA -0.567 60.850 61.300 0.195 0.000 1.180 277 I CB 0.888 38.777 38.000 -0.184 0.000 1.336 277 I HN 0.490 nan 8.210 nan 0.000 0.467 278 M N 3.357 123.143 119.600 0.310 0.000 2.226 278 M HA 0.096 4.576 4.480 -0.000 0.000 0.324 278 M C 1.790 178.186 176.300 0.159 0.000 1.112 278 M CA 0.140 55.603 55.300 0.273 0.000 1.176 278 M CB 0.563 33.310 32.600 0.245 0.000 1.430 278 M HN 0.688 nan 8.290 nan 0.000 0.462 279 S N 0.696 116.451 115.700 0.091 0.000 2.399 279 S HA -0.167 4.303 4.470 -0.000 0.000 0.231 279 S C 0.980 175.634 174.600 0.091 0.000 1.022 279 S CA 1.574 59.809 58.200 0.057 0.000 0.983 279 S CB -0.418 62.792 63.200 0.016 0.000 0.803 279 S HN 0.749 nan 8.310 nan 0.000 0.480 280 D N 1.829 122.294 120.400 0.107 0.000 2.349 280 D HA 0.275 4.915 4.640 -0.000 0.000 0.224 280 D C 0.703 177.088 176.300 0.143 0.000 1.029 280 D CA 0.432 54.496 54.000 0.107 0.000 0.879 280 D CB -0.482 40.372 40.800 0.090 0.000 0.906 280 D HN 0.569 nan 8.370 nan 0.000 0.528 281 A N 0.641 123.574 122.820 0.189 0.000 2.466 281 A HA 0.145 4.465 4.320 -0.000 0.000 0.238 281 A C -0.007 177.729 177.584 0.253 0.000 1.074 281 A CA -0.231 51.964 52.037 0.263 0.000 0.774 281 A CB 0.066 19.277 19.000 0.353 0.000 1.015 281 A HN 0.148 nan 8.150 nan 0.000 0.498 282 D N 1.735 122.315 120.400 0.299 0.000 2.342 282 D HA 0.179 4.818 4.640 -0.000 0.000 0.260 282 D C 1.051 177.529 176.300 0.297 0.000 1.278 282 D CA -0.149 54.009 54.000 0.264 0.000 0.910 282 D CB 0.315 41.279 40.800 0.272 0.000 1.079 282 D HN 0.427 nan 8.370 nan 0.000 0.496 283 M N 3.600 123.330 119.600 0.216 0.000 2.163 283 M HA -0.220 4.260 4.480 -0.000 0.000 0.258 283 M C 1.209 177.591 176.300 0.136 0.000 1.071 283 M CA 1.879 57.292 55.300 0.187 0.000 1.093 283 M CB -0.461 32.215 32.600 0.126 0.000 1.285 283 M HN 0.449 nan 8.290 nan 0.000 0.420 284 D N -0.872 119.600 120.400 0.121 0.000 2.126 284 D HA -0.275 4.365 4.640 -0.000 0.000 0.190 284 D C 1.849 178.250 176.300 0.167 0.000 1.001 284 D CA 1.742 55.800 54.000 0.097 0.000 0.841 284 D CB -0.765 40.101 40.800 0.110 0.000 0.949 284 D HN 0.685 nan 8.370 nan 0.000 0.446 285 W N 1.576 122.915 121.300 0.065 0.000 2.354 285 W HA -0.213 4.447 4.660 -0.001 0.000 0.315 285 W C 2.264 178.872 176.519 0.149 0.000 1.206 285 W CA 1.648 59.063 57.345 0.118 0.000 1.290 285 W CB -0.168 29.396 29.460 0.174 0.000 1.152 285 W HN -0.018 nan 8.180 nan 0.000 0.489 286 A N 0.509 123.462 122.820 0.222 0.000 1.892 286 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 286 A C 2.041 179.503 177.584 -0.203 0.000 1.188 286 A CA 2.572 54.564 52.037 -0.075 0.000 0.631 286 A CB -1.255 17.891 19.000 0.245 0.000 0.822 286 A HN 0.179 nan 8.150 nan 0.000 0.447 287 V N -0.141 119.644 119.914 -0.216 0.000 2.295 287 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 287 V C 2.635 178.554 176.094 -0.291 0.000 1.049 287 V CA 2.493 64.498 62.300 -0.491 0.000 1.024 287 V CB -0.755 30.750 31.823 -0.529 0.000 0.648 287 V HN 0.694 nan 8.190 nan 0.000 0.447 288 E N -0.177 119.882 120.200 -0.235 0.000 2.077 288 E HA -0.198 4.151 4.350 -0.000 0.000 0.193 288 E C 2.291 178.770 176.600 -0.202 0.000 0.989 288 E CA 1.297 57.578 56.400 -0.199 0.000 0.800 288 E CB -0.231 29.360 29.700 -0.182 0.000 0.746 288 E HN 0.501 nan 8.360 nan 0.000 0.452 289 Q N -0.329 119.231 119.800 -0.400 0.000 2.079 289 Q HA -0.015 4.325 4.340 -0.000 0.000 0.200 289 Q C 2.169 178.040 176.000 -0.214 0.000 0.974 289 Q CA 1.401 56.993 55.803 -0.351 0.000 0.840 289 Q CB -0.523 27.941 28.738 -0.456 0.000 0.898 289 Q HN 0.374 nan 8.270 nan 0.000 0.430 290 A N 0.203 122.855 122.820 -0.281 0.000 1.933 290 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 290 A C 1.929 179.472 177.584 -0.067 0.000 1.175 290 A CA 1.979 53.899 52.037 -0.195 0.000 0.628 290 A CB -0.772 18.241 19.000 0.021 0.000 0.814 290 A HN 0.481 nan 8.150 nan 0.000 0.444 291 H N -1.766 117.274 119.070 -0.050 0.000 2.293 291 H HA -0.127 4.429 4.556 -0.001 0.000 0.300 291 H C 1.732 177.188 175.328 0.214 0.000 1.082 291 H CA 2.176 58.309 56.048 0.142 0.000 1.308 291 H CB -0.399 29.392 29.762 0.048 0.000 1.375 291 H HN 0.469 nan 8.280 nan 0.000 0.495 292 F N 0.677 120.660 119.950 0.054 0.000 2.171 292 F HA -0.170 4.357 4.527 -0.001 0.000 0.300 292 F C 2.487 178.238 175.800 -0.082 0.000 1.090 292 F CA 1.282 59.278 58.000 -0.006 0.000 1.293 292 F CB -0.503 38.436 39.000 -0.103 0.000 1.013 292 F HN 0.305 nan 8.300 nan 0.000 0.486 293 A N 0.407 123.076 122.820 -0.251 0.000 1.940 293 A HA -0.182 4.137 4.320 -0.000 0.000 0.219 293 A C 2.182 179.492 177.584 -0.457 0.000 1.176 293 A CA 1.852 53.522 52.037 -0.611 0.000 0.631 293 A CB -0.852 17.465 19.000 -1.138 0.000 0.814 293 A HN 0.522 nan 8.150 nan 0.000 0.446 294 L N -2.218 118.768 121.223 -0.396 0.000 2.262 294 L HA 0.213 4.553 4.340 -0.000 0.000 0.197 294 L C 1.989 178.558 176.870 -0.503 0.000 1.073 294 L CA 1.406 55.961 54.840 -0.474 0.000 0.800 294 L CB -0.893 40.775 42.059 -0.651 0.000 0.987 294 L HN 0.422 nan 8.230 nan 0.000 0.470 295 F N -0.446 119.330 119.950 -0.290 0.000 2.604 295 F HA -0.075 4.451 4.527 -0.000 0.000 0.298 295 F C 1.213 176.929 175.800 -0.139 0.000 1.131 295 F CA -0.076 57.776 58.000 -0.248 0.000 1.457 295 F CB -0.562 38.203 39.000 -0.391 0.000 1.095 295 F HN -0.080 nan 8.300 nan 0.000 0.574 296 F N 2.165 121.963 119.950 -0.253 0.000 2.623 296 F HA -0.078 4.448 4.527 -0.001 0.000 0.383 296 F C 1.197 176.891 175.800 -0.177 0.000 1.077 296 F CA -0.183 57.634 58.000 -0.305 0.000 1.268 296 F CB 0.100 38.695 39.000 -0.674 0.000 1.053 296 F HN 0.127 nan 8.300 nan 0.000 0.571 297 N N 3.892 122.244 118.700 -0.579 0.000 2.714 297 N HA -0.302 4.438 4.740 -0.000 0.000 0.253 297 N C -0.130 175.142 175.510 -0.396 0.000 1.024 297 N CA 1.284 53.939 53.050 -0.657 0.000 0.726 297 N CB -0.790 37.033 38.487 -1.107 0.000 0.908 297 N HN 0.785 nan 8.380 nan 0.000 0.542 298 Q N -1.681 118.009 119.800 -0.184 0.000 2.480 298 Q HA -0.184 4.155 4.340 -0.000 0.000 0.265 298 Q C 1.224 177.130 176.000 -0.157 0.000 1.072 298 Q CA 2.217 57.959 55.803 -0.101 0.000 1.018 298 Q CB -1.844 26.833 28.738 -0.102 0.000 1.433 298 Q HN 1.221 nan 8.270 nan 0.000 0.513 299 G N -0.952 107.715 108.800 -0.221 0.000 2.168 299 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.263 299 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.263 299 G C 0.141 174.737 174.900 -0.507 0.000 0.977 299 G CA 0.493 45.413 45.100 -0.301 0.000 0.659 299 G HN 0.470 nan 8.290 nan 0.000 0.533 300 Q N -0.210 119.195 119.800 -0.658 0.000 3.122 300 Q HA 0.473 4.813 4.340 -0.000 0.000 0.360 300 Q C 0.058 175.356 176.000 -1.169 0.000 1.300 300 Q CA -0.099 54.942 55.803 -1.270 0.000 0.982 300 Q CB 0.571 28.903 28.738 -0.677 0.000 1.534 300 Q HN 0.378 nan 8.270 nan 0.000 0.474 301 C N 0.326 119.157 119.300 -0.783 0.000 2.431 301 C HA 0.285 4.745 4.460 -0.000 0.000 0.321 301 C C 1.820 176.907 174.990 0.161 0.000 1.202 301 C CA -0.295 58.662 59.018 -0.100 0.000 1.398 301 C CB 1.130 28.946 27.740 0.128 0.000 2.047 301 C HN 0.816 nan 8.230 nan 0.000 0.465 302 S N 2.139 118.083 115.700 0.406 0.000 2.400 302 S HA -0.184 4.286 4.470 -0.000 0.000 0.232 302 S C 1.289 176.089 174.600 0.332 0.000 1.025 302 S CA 1.735 60.179 58.200 0.405 0.000 0.993 302 S CB -0.785 62.614 63.200 0.332 0.000 0.808 302 S HN 1.204 nan 8.310 nan 0.000 0.478 303 C N 1.454 121.031 119.300 0.462 0.000 2.614 303 C HA 0.817 5.276 4.460 -0.000 0.000 0.299 303 C C 1.154 176.452 174.990 0.513 0.000 1.293 303 C CA -1.374 57.962 59.018 0.529 0.000 1.713 303 C CB -2.092 26.147 27.740 0.833 0.000 1.890 303 C HN 0.609 nan 8.230 nan 0.000 0.602 304 A N 1.039 124.051 122.820 0.321 0.000 2.520 304 A HA 0.468 4.787 4.320 -0.000 0.000 0.235 304 A C 1.137 178.818 177.584 0.162 0.000 1.065 304 A CA 0.716 52.867 52.037 0.190 0.000 0.764 304 A CB -0.092 18.901 19.000 -0.012 0.000 1.002 304 A HN 1.121 nan 8.150 nan 0.000 0.502 305 G N 1.184 109.961 108.800 -0.040 0.000 3.213 305 G HA2 0.322 4.282 3.960 -0.000 0.000 0.263 305 G HA3 0.322 4.282 3.960 -0.000 0.000 0.263 305 G C 0.938 175.764 174.900 -0.122 0.000 0.829 305 G CA 0.409 45.451 45.100 -0.097 0.000 1.983 305 G HN 1.171 nan 8.290 nan 0.000 0.616 306 S N 0.529 116.189 115.700 -0.066 0.000 2.603 306 S HA 0.096 4.566 4.470 -0.000 0.000 0.229 306 S C 1.040 175.574 174.600 -0.110 0.000 0.972 306 S CA -0.006 58.127 58.200 -0.112 0.000 0.935 306 S CB 0.287 63.425 63.200 -0.102 0.000 0.769 306 S HN 0.419 nan 8.310 nan 0.000 0.536 307 R N 1.510 121.958 120.500 -0.087 0.000 2.607 307 R HA 0.249 4.589 4.340 -0.000 0.000 0.278 307 R C -1.256 174.934 176.300 -0.183 0.000 1.637 307 R CA -0.093 55.898 56.100 -0.182 0.000 1.325 307 R CB 1.243 31.458 30.300 -0.141 0.000 1.211 307 R HN 0.132 nan 8.270 nan 0.000 0.565 308 T N 3.772 118.220 114.554 -0.178 0.000 2.855 308 T HA 0.223 4.573 4.350 -0.000 0.000 0.290 308 T C -0.057 174.584 174.700 -0.099 0.000 0.941 308 T CA 0.119 62.169 62.100 -0.084 0.000 1.030 308 T CB -0.250 68.602 68.868 -0.026 0.000 0.935 308 T HN 0.159 nan 8.240 nan 0.000 0.564 309 F N 2.572 122.554 119.950 0.054 0.000 2.438 309 F HA 0.437 4.963 4.527 -0.000 0.000 0.356 309 F C 0.400 176.352 175.800 0.253 0.000 1.099 309 F CA -0.570 57.527 58.000 0.162 0.000 1.185 309 F CB 0.900 39.903 39.000 0.005 0.000 1.115 309 F HN 0.167 nan 8.300 nan 0.000 0.526 310 V N 3.219 123.426 119.914 0.489 0.000 2.577 310 V HA 0.241 4.361 4.120 -0.000 0.000 0.303 310 V C -0.415 175.612 176.094 -0.113 0.000 1.042 310 V CA -1.121 61.264 62.300 0.141 0.000 0.872 310 V CB 1.619 33.333 31.823 -0.182 0.000 0.998 310 V HN 0.641 nan 8.190 nan 0.000 0.423 311 Q N 3.434 122.906 119.800 -0.547 0.000 2.315 311 Q HA 0.010 4.350 4.340 -0.000 0.000 0.289 311 Q C 1.377 177.166 176.000 -0.353 0.000 1.044 311 Q CA 0.913 56.151 55.803 -0.942 0.000 0.920 311 Q CB 0.710 29.078 28.738 -0.616 0.000 1.214 311 Q HN 0.876 nan 8.270 nan 0.000 0.392 312 E N 2.414 122.419 120.200 -0.325 0.000 2.114 312 E HA -0.331 4.019 4.350 -0.000 0.000 0.199 312 E C 0.382 176.965 176.600 -0.029 0.000 1.008 312 E CA 1.761 58.084 56.400 -0.129 0.000 0.810 312 E CB -0.224 29.392 29.700 -0.139 0.000 0.739 312 E HN 0.753 nan 8.360 nan 0.000 0.456 313 D N 0.945 121.311 120.400 -0.056 0.000 2.309 313 D HA -0.098 4.541 4.640 -0.000 0.000 0.212 313 D C 1.905 178.225 176.300 0.033 0.000 0.968 313 D CA 1.391 55.386 54.000 -0.007 0.000 0.882 313 D CB -0.028 40.762 40.800 -0.017 0.000 0.918 313 D HN 0.650 nan 8.370 nan 0.000 0.503 314 I N -4.189 116.407 120.570 0.043 0.000 4.240 314 I HA 0.189 4.359 4.170 -0.000 0.000 0.331 314 I C 1.675 177.873 176.117 0.135 0.000 1.381 314 I CA -0.571 60.781 61.300 0.087 0.000 1.136 314 I CB -0.068 37.985 38.000 0.088 0.000 1.137 314 I HN -0.235 nan 8.210 nan 0.000 0.411 315 Y N 3.021 123.321 120.300 -0.000 0.000 2.053 315 Y HA -0.322 4.228 4.550 -0.000 0.000 0.277 315 Y C 2.042 178.002 175.900 0.101 0.000 1.159 315 Y CA 2.500 60.617 58.100 0.028 0.000 1.125 315 Y CB -0.114 38.338 38.460 -0.013 0.000 0.969 315 Y HN 0.209 nan 8.280 nan 0.000 0.492 316 D N 0.117 120.639 120.400 0.203 0.000 2.106 316 D HA -0.252 4.388 4.640 -0.000 0.000 0.191 316 D C 2.093 178.406 176.300 0.022 0.000 0.997 316 D CA 1.925 55.987 54.000 0.104 0.000 0.834 316 D CB -0.602 40.275 40.800 0.129 0.000 0.956 316 D HN 0.613 nan 8.370 nan 0.000 0.448 317 E N -0.696 119.536 120.200 0.054 0.000 2.077 317 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 317 E C 2.086 178.698 176.600 0.020 0.000 0.989 317 E CA 0.472 56.892 56.400 0.034 0.000 0.800 317 E CB -0.240 29.491 29.700 0.053 0.000 0.746 317 E HN 0.240 nan 8.360 nan 0.000 0.452 318 F N 0.698 120.589 119.950 -0.098 0.000 2.095 318 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 318 F C 2.093 177.790 175.800 -0.172 0.000 1.104 318 F CA 1.383 59.311 58.000 -0.121 0.000 1.232 318 F CB -0.141 38.787 39.000 -0.121 0.000 0.987 318 F HN -0.103 nan 8.300 nan 0.000 0.475 319 V N 0.246 120.134 119.914 -0.042 0.000 2.295 319 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 319 V C 2.341 178.365 176.094 -0.118 0.000 1.049 319 V CA 2.263 64.480 62.300 -0.140 0.000 1.024 319 V CB -0.763 30.873 31.823 -0.312 0.000 0.648 319 V HN 0.411 nan 8.190 nan 0.000 0.447 320 E N 0.225 120.367 120.200 -0.096 0.000 2.058 320 E HA -0.267 4.082 4.350 -0.000 0.000 0.194 320 E C 2.478 179.011 176.600 -0.112 0.000 0.997 320 E CA 1.601 57.953 56.400 -0.079 0.000 0.801 320 E CB -0.048 29.621 29.700 -0.051 0.000 0.746 320 E HN 0.533 nan 8.360 nan 0.000 0.450 321 R N -0.100 120.306 120.500 -0.157 0.000 2.075 321 R HA -0.043 4.296 4.340 -0.000 0.000 0.232 321 R C 2.676 178.834 176.300 -0.237 0.000 1.126 321 R CA 1.335 57.315 56.100 -0.200 0.000 0.963 321 R CB -0.194 29.959 30.300 -0.245 0.000 0.858 321 R HN 0.052 nan 8.270 nan 0.000 0.435 322 S N 0.392 115.924 115.700 -0.280 0.000 2.368 322 S HA -0.100 4.370 4.470 -0.000 0.000 0.225 322 S C 2.091 176.635 174.600 -0.093 0.000 1.030 322 S CA 1.194 59.272 58.200 -0.204 0.000 0.999 322 S CB -0.106 62.995 63.200 -0.166 0.000 0.844 322 S HN 0.073 nan 8.310 nan 0.000 0.459 323 V N 1.918 121.780 119.914 -0.086 0.000 2.407 323 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 323 V C 2.590 178.630 176.094 -0.090 0.000 1.055 323 V CA 1.659 63.921 62.300 -0.064 0.000 1.049 323 V CB -1.162 30.627 31.823 -0.057 0.000 0.662 323 V HN 0.534 nan 8.190 nan 0.000 0.455 324 A N 0.309 123.062 122.820 -0.112 0.000 1.902 324 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 324 A C 2.309 179.796 177.584 -0.161 0.000 1.181 324 A CA 2.091 54.056 52.037 -0.120 0.000 0.623 324 A CB -0.512 18.418 19.000 -0.117 0.000 0.818 324 A HN 0.444 nan 8.150 nan 0.000 0.443 325 R N 0.192 120.561 120.500 -0.217 0.000 2.092 325 R HA 0.039 4.378 4.340 -0.000 0.000 0.231 325 R C 2.068 178.145 176.300 -0.371 0.000 1.119 325 R CA 1.784 57.667 56.100 -0.361 0.000 0.970 325 R CB -0.867 29.126 30.300 -0.512 0.000 0.864 325 R HN 0.394 nan 8.270 nan 0.000 0.440 326 A N 0.663 123.369 122.820 -0.190 0.000 1.898 326 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 326 A C 1.927 179.412 177.584 -0.164 0.000 1.181 326 A CA 1.440 53.383 52.037 -0.156 0.000 0.620 326 A CB -0.347 18.588 19.000 -0.108 0.000 0.819 326 A HN 0.331 nan 8.150 nan 0.000 0.442 327 K N 0.458 120.782 120.400 -0.127 0.000 2.147 327 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 327 K C 2.120 178.658 176.600 -0.103 0.000 1.049 327 K CA 1.542 57.768 56.287 -0.102 0.000 0.936 327 K CB -0.176 32.274 32.500 -0.084 0.000 0.722 327 K HN 0.655 nan 8.250 nan 0.000 0.446 328 S N 0.662 116.286 115.700 -0.126 0.000 2.562 328 S HA -0.033 4.436 4.470 -0.000 0.000 0.221 328 S C 0.911 175.446 174.600 -0.109 0.000 0.975 328 S CA -0.205 57.926 58.200 -0.115 0.000 0.918 328 S CB -0.082 63.041 63.200 -0.128 0.000 0.772 328 S HN 0.141 nan 8.310 nan 0.000 0.531 329 R N 2.189 122.615 120.500 -0.124 0.000 2.402 329 R HA 0.229 4.569 4.340 -0.000 0.000 0.331 329 R C -0.936 175.331 176.300 -0.056 0.000 1.040 329 R CA -0.187 55.861 56.100 -0.086 0.000 0.980 329 R CB 0.059 30.296 30.300 -0.105 0.000 0.967 329 R HN 0.175 nan 8.270 nan 0.000 0.440 330 V N 6.213 126.107 119.914 -0.033 0.000 2.485 330 V HA 0.054 4.173 4.120 -0.000 0.000 0.287 330 V C 0.222 176.312 176.094 -0.007 0.000 1.022 330 V CA -0.091 62.194 62.300 -0.026 0.000 1.067 330 V CB 1.024 32.836 31.823 -0.019 0.000 0.967 330 V HN 0.441 nan 8.190 nan 0.000 0.479 331 V N 4.809 124.707 119.914 -0.026 0.000 2.459 331 V HA 1.008 5.128 4.120 -0.000 0.000 0.295 331 V C 0.610 176.624 176.094 -0.134 0.000 1.029 331 V CA 0.485 62.779 62.300 -0.010 0.000 0.874 331 V CB 1.035 32.869 31.823 0.018 0.000 0.985 331 V HN 1.160 nan 8.190 nan 0.000 0.438 332 G N 3.231 111.947 108.800 -0.139 0.000 2.356 332 G HA2 0.138 4.097 3.960 -0.000 0.000 0.281 332 G HA3 0.138 4.097 3.960 -0.000 0.000 0.281 332 G C -0.990 173.872 174.900 -0.064 0.000 1.246 332 G CA -0.837 44.074 45.100 -0.315 0.000 0.889 332 G HN 0.607 nan 8.290 nan 0.000 0.486 333 N N 2.137 120.817 118.700 -0.034 0.000 2.374 333 N HA 0.108 4.848 4.740 -0.000 0.000 0.269 333 N C -0.570 175.015 175.510 0.124 0.000 1.310 333 N CA -0.940 52.180 53.050 0.117 0.000 0.877 333 N CB 1.324 39.867 38.487 0.094 0.000 1.096 333 N HN 0.160 nan 8.380 nan 0.000 0.484 334 P HA -0.149 nan 4.420 nan 0.000 0.221 334 P C 0.943 178.206 177.300 -0.063 0.000 1.145 334 P CA 1.239 64.328 63.100 -0.018 0.000 0.795 334 P CB -0.045 31.571 31.700 -0.140 0.000 0.775 335 F N -0.030 119.968 119.950 0.081 0.000 2.710 335 F HA 0.040 4.567 4.527 -0.000 0.000 0.298 335 F C 0.726 176.550 175.800 0.039 0.000 1.137 335 F CA 0.041 58.066 58.000 0.041 0.000 1.444 335 F CB -0.294 38.680 39.000 -0.044 0.000 1.111 335 F HN -0.186 nan 8.300 nan 0.000 0.580 336 D N -0.328 120.187 120.400 0.191 0.000 2.317 336 D HA 0.037 4.677 4.640 -0.000 0.000 0.252 336 D C 1.317 177.684 176.300 0.112 0.000 1.174 336 D CA 0.104 54.175 54.000 0.119 0.000 0.866 336 D CB 1.329 42.172 40.800 0.071 0.000 1.127 336 D HN 0.003 nan 8.370 nan 0.000 0.467 337 S N 2.592 118.356 115.700 0.108 0.000 2.440 337 S HA -0.247 4.223 4.470 -0.000 0.000 0.240 337 S C 1.324 175.966 174.600 0.071 0.000 1.014 337 S CA 0.997 59.258 58.200 0.101 0.000 0.980 337 S CB -0.085 63.166 63.200 0.085 0.000 0.775 337 S HN 0.399 nan 8.310 nan 0.000 0.499 338 K N 0.923 121.354 120.400 0.052 0.000 2.400 338 K HA 0.114 4.434 4.320 -0.000 0.000 0.194 338 K C 0.002 176.622 176.600 0.034 0.000 1.033 338 K CA 0.346 56.653 56.287 0.033 0.000 1.021 338 K CB -0.016 32.493 32.500 0.016 0.000 0.808 338 K HN 0.312 nan 8.250 nan 0.000 0.505 339 T N 1.770 116.352 114.554 0.047 0.000 2.834 339 T HA 0.050 4.399 4.350 -0.000 0.000 0.298 339 T C 0.791 175.530 174.700 0.066 0.000 0.966 339 T CA 0.174 62.304 62.100 0.049 0.000 1.141 339 T CB 1.169 70.074 68.868 0.062 0.000 0.905 339 T HN 0.177 nan 8.240 nan 0.000 0.535 340 E N 1.705 121.944 120.200 0.064 0.000 2.251 340 E HA 0.046 4.396 4.350 -0.000 0.000 0.194 340 E C 0.773 177.436 176.600 0.105 0.000 0.964 340 E CA 0.191 56.645 56.400 0.089 0.000 0.868 340 E CB 0.580 30.326 29.700 0.077 0.000 0.828 340 E HN 0.566 nan 8.360 nan 0.000 0.481 341 Q N 0.328 120.187 119.800 0.098 0.000 2.304 341 Q HA 0.431 4.770 4.340 -0.000 0.000 0.270 341 Q C -0.609 175.497 176.000 0.176 0.000 1.035 341 Q CA -0.610 55.263 55.803 0.117 0.000 0.781 341 Q CB 1.814 30.621 28.738 0.115 0.000 1.261 341 Q HN 0.121 nan 8.270 nan 0.000 0.444 342 G N 3.054 111.940 108.800 0.143 0.000 2.543 342 G HA2 0.606 4.566 3.960 -0.000 0.000 0.267 342 G HA3 0.606 4.566 3.960 -0.000 0.000 0.267 342 G C -2.527 172.414 174.900 0.069 0.000 1.406 342 G CA -1.012 44.208 45.100 0.200 0.000 1.048 342 G HN 0.573 nan 8.290 nan 0.000 0.548 343 P HA 0.231 nan 4.420 nan 0.000 0.279 343 P C -0.904 176.258 177.300 -0.230 0.000 1.276 343 P CA -0.442 62.271 63.100 -0.645 0.000 0.801 343 P CB 1.024 32.032 31.700 -1.153 0.000 1.127 344 Q N -0.126 119.614 119.800 -0.100 0.000 2.368 344 Q HA 0.073 4.413 4.340 -0.000 0.000 0.237 344 Q C 1.371 177.285 176.000 -0.144 0.000 0.987 344 Q CA -0.416 55.355 55.803 -0.053 0.000 0.896 344 Q CB 0.338 29.110 28.738 0.056 0.000 1.241 344 Q HN 0.196 nan 8.270 nan 0.000 0.485 345 V N 0.813 120.580 119.914 -0.245 0.000 2.324 345 V HA -0.249 3.871 4.120 -0.000 0.000 0.250 345 V C 0.358 176.225 176.094 -0.379 0.000 1.060 345 V CA 2.805 64.886 62.300 -0.365 0.000 1.042 345 V CB -0.112 31.287 31.823 -0.706 0.000 0.650 345 V HN 1.000 nan 8.190 nan 0.000 0.450 346 D N -3.672 116.435 120.400 -0.488 0.000 2.759 346 D HA 0.131 4.771 4.640 -0.000 0.000 0.321 346 D C 0.658 176.352 176.300 -1.010 0.000 1.267 346 D CA -0.087 53.543 54.000 -0.617 0.000 0.933 346 D CB 0.618 41.125 40.800 -0.488 0.000 1.431 346 D HN -0.017 nan 8.370 nan 0.000 0.504 347 E N -0.708 118.773 120.200 -1.199 0.000 2.077 347 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 347 E C 1.196 177.578 176.600 -0.364 0.000 0.989 347 E CA 1.779 57.573 56.400 -1.010 0.000 0.800 347 E CB -0.076 29.307 29.700 -0.528 0.000 0.746 347 E HN 0.539 nan 8.360 nan 0.000 0.452 348 T N 1.269 115.643 114.554 -0.300 0.000 2.652 348 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 348 T C 1.822 176.452 174.700 -0.115 0.000 1.039 348 T CA 1.253 63.251 62.100 -0.170 0.000 1.153 348 T CB -0.205 68.561 68.868 -0.170 0.000 0.863 348 T HN 0.152 nan 8.240 nan 0.000 0.428 349 Q N 0.037 119.746 119.800 -0.152 0.000 2.084 349 Q HA -0.007 4.333 4.340 -0.000 0.000 0.202 349 Q C 2.089 178.100 176.000 0.018 0.000 0.978 349 Q CA 1.103 56.878 55.803 -0.047 0.000 0.844 349 Q CB -0.733 27.943 28.738 -0.103 0.000 0.898 349 Q HN 0.553 nan 8.270 nan 0.000 0.426 350 F N 1.882 121.715 119.950 -0.195 0.000 2.065 350 F HA -0.283 4.243 4.527 -0.000 0.000 0.298 350 F C 2.136 177.910 175.800 -0.043 0.000 1.112 350 F CA 1.885 59.819 58.000 -0.109 0.000 1.212 350 F CB -0.028 38.865 39.000 -0.177 0.000 0.975 350 F HN -0.021 nan 8.300 nan 0.000 0.476 351 K N 0.046 120.466 120.400 0.034 0.000 2.057 351 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 351 K C 2.203 178.744 176.600 -0.097 0.000 1.050 351 K CA 1.544 57.800 56.287 -0.052 0.000 0.935 351 K CB -0.269 32.236 32.500 0.008 0.000 0.715 351 K HN 0.203 nan 8.250 nan 0.000 0.439 352 K N 1.032 121.391 120.400 -0.070 0.000 2.057 352 K HA -0.137 4.182 4.320 -0.000 0.000 0.207 352 K C 1.940 178.508 176.600 -0.054 0.000 1.049 352 K CA 1.374 57.605 56.287 -0.094 0.000 0.931 352 K CB -0.046 32.441 32.500 -0.022 0.000 0.714 352 K HN 0.061 nan 8.250 nan 0.000 0.440 353 I N 1.044 121.638 120.570 0.040 0.000 2.202 353 I HA -0.289 3.880 4.170 -0.000 0.000 0.242 353 I C 2.175 178.319 176.117 0.044 0.000 1.091 353 I CA 1.007 62.382 61.300 0.124 0.000 1.368 353 I CB -0.214 37.830 38.000 0.073 0.000 1.058 353 I HN 0.162 nan 8.210 nan 0.000 0.410 354 L N 0.527 121.686 121.223 -0.107 0.000 2.079 354 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 354 L C 2.651 179.494 176.870 -0.044 0.000 1.081 354 L CA 1.562 56.332 54.840 -0.116 0.000 0.752 354 L CB -1.137 40.776 42.059 -0.243 0.000 0.896 354 L HN 0.354 nan 8.230 nan 0.000 0.433 355 G N -1.240 107.511 108.800 -0.081 0.000 2.402 355 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 355 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 355 G C 1.407 176.270 174.900 -0.062 0.000 1.162 355 G CA 0.482 45.517 45.100 -0.108 0.000 0.777 355 G HN 0.305 nan 8.290 nan 0.000 0.539 356 Y N 0.434 120.729 120.300 -0.009 0.000 2.181 356 Y HA -0.049 4.500 4.550 -0.001 0.000 0.288 356 Y C 2.807 178.708 175.900 0.001 0.000 1.146 356 Y CA 0.575 58.669 58.100 -0.010 0.000 1.164 356 Y CB -0.052 38.409 38.460 0.003 0.000 0.982 356 Y HN 0.108 nan 8.280 nan 0.000 0.515 357 I N 0.136 120.843 120.570 0.230 0.000 2.208 357 I HA -0.373 3.797 4.170 -0.000 0.000 0.245 357 I C 2.222 178.472 176.117 0.223 0.000 1.097 357 I CA 1.860 63.331 61.300 0.285 0.000 1.363 357 I CB -0.438 37.696 38.000 0.222 0.000 1.051 357 I HN 0.310 nan 8.210 nan 0.000 0.413 358 N N 0.420 119.191 118.700 0.118 0.000 2.104 358 N HA -0.183 4.557 4.740 -0.000 0.000 0.190 358 N C 1.668 177.209 175.510 0.051 0.000 1.024 358 N CA 2.149 55.244 53.050 0.076 0.000 0.853 358 N CB -0.075 38.428 38.487 0.028 0.000 1.008 358 N HN 0.162 nan 8.380 nan 0.000 0.424 359 T N -1.281 113.293 114.554 0.034 0.000 2.821 359 T HA -0.010 4.340 4.350 -0.000 0.000 0.267 359 T C 1.745 176.405 174.700 -0.066 0.000 1.046 359 T CA 1.193 63.296 62.100 0.005 0.000 1.139 359 T CB -0.857 68.038 68.868 0.045 0.000 0.871 359 T HN 0.485 nan 8.240 nan 0.000 0.454 360 G N 1.811 110.511 108.800 -0.166 0.000 2.418 360 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.217 360 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.217 360 G C 1.605 176.341 174.900 -0.273 0.000 1.158 360 G CA 0.604 45.378 45.100 -0.544 0.000 0.771 360 G HN 0.431 nan 8.290 nan 0.000 0.545 361 K N -0.144 120.279 120.400 0.039 0.000 2.025 361 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 361 K C 2.711 179.348 176.600 0.061 0.000 1.049 361 K CA 1.094 57.475 56.287 0.157 0.000 0.933 361 K CB -0.173 32.439 32.500 0.187 0.000 0.714 361 K HN 0.135 nan 8.250 nan 0.000 0.438 362 Q N 1.110 120.927 119.800 0.029 0.000 2.096 362 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 362 Q C 1.480 177.481 176.000 0.001 0.000 0.982 362 Q CA 1.543 57.355 55.803 0.015 0.000 0.850 362 Q CB -0.118 28.624 28.738 0.007 0.000 0.901 362 Q HN 0.474 nan 8.270 nan 0.000 0.422 363 E N -0.944 119.241 120.200 -0.025 0.000 2.502 363 E HA 0.114 4.464 4.350 -0.000 0.000 0.194 363 E C 0.720 177.306 176.600 -0.022 0.000 1.062 363 E CA 0.356 56.738 56.400 -0.031 0.000 0.867 363 E CB 0.214 29.881 29.700 -0.054 0.000 0.888 363 E HN 0.513 nan 8.360 nan 0.000 0.510 364 G N 1.050 109.849 108.800 -0.002 0.000 2.176 364 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.232 364 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.232 364 G C 0.390 175.314 174.900 0.041 0.000 0.986 364 G CA -0.098 45.015 45.100 0.022 0.000 0.643 364 G HN 0.454 nan 8.290 nan 0.000 0.522 365 A N 0.216 123.046 122.820 0.016 0.000 2.425 365 A HA 0.593 4.913 4.320 -0.000 0.000 0.249 365 A C 0.631 178.389 177.584 0.289 0.000 1.084 365 A CA 0.669 52.756 52.037 0.084 0.000 0.781 365 A CB 0.404 19.305 19.000 -0.164 0.000 1.019 365 A HN 0.584 nan 8.150 nan 0.000 0.490 366 K N 2.470 123.048 120.400 0.296 0.000 2.310 366 K HA 0.292 4.612 4.320 -0.000 0.000 0.290 366 K C -0.789 175.938 176.600 0.212 0.000 1.077 366 K CA -0.430 55.997 56.287 0.233 0.000 0.922 366 K CB 0.161 32.754 32.500 0.155 0.000 1.057 366 K HN 0.586 nan 8.250 nan 0.000 0.479 367 L N 6.402 127.684 121.223 0.098 0.000 2.369 367 L HA 0.090 4.430 4.340 -0.000 0.000 0.279 367 L C 0.308 177.097 176.870 -0.135 0.000 1.108 367 L CA 0.473 55.180 54.840 -0.222 0.000 0.852 367 L CB 0.473 42.432 42.059 -0.166 0.000 1.169 367 L HN 0.819 nan 8.230 nan 0.000 0.452 368 L N 4.657 125.778 121.223 -0.170 0.000 2.408 368 L HA 0.208 4.548 4.340 -0.000 0.000 0.215 368 L C 0.343 177.158 176.870 -0.091 0.000 1.081 368 L CA 0.189 54.978 54.840 -0.086 0.000 0.840 368 L CB 0.106 42.136 42.059 -0.048 0.000 1.002 368 L HN 0.815 nan 8.230 nan 0.000 0.468 369 C N -2.934 116.287 119.300 -0.131 0.000 3.307 369 C HA 0.752 5.211 4.460 -0.000 0.000 0.333 369 C C 0.696 175.620 174.990 -0.110 0.000 1.291 369 C CA -0.573 58.387 59.018 -0.097 0.000 1.273 369 C CB 0.852 28.550 27.740 -0.069 0.000 1.580 369 C HN 0.632 nan 8.230 nan 0.000 0.481 370 G N 1.102 109.859 108.800 -0.072 0.000 2.574 370 G HA2 0.340 4.300 3.960 -0.000 0.000 0.286 370 G HA3 0.340 4.300 3.960 -0.000 0.000 0.286 370 G C 1.260 176.120 174.900 -0.066 0.000 1.212 370 G CA 2.256 47.325 45.100 -0.052 0.000 0.979 370 G HN 3.306 nan 8.290 nan 0.000 0.557 371 G N -1.997 106.772 108.800 -0.051 0.000 2.179 371 G HA2 0.461 4.421 3.960 -0.000 0.000 0.220 371 G HA3 0.461 4.421 3.960 -0.000 0.000 0.220 371 G C 1.379 176.278 174.900 -0.001 0.000 0.990 371 G CA 0.923 45.999 45.100 -0.040 0.000 0.646 371 G HN 2.595 nan 8.290 nan 0.000 0.517 372 G N -0.722 108.081 108.800 0.004 0.000 2.827 372 G HA2 0.770 4.730 3.960 -0.000 0.000 0.296 372 G HA3 0.770 4.730 3.960 -0.000 0.000 0.296 372 G C 0.009 174.929 174.900 0.033 0.000 1.362 372 G CA -0.339 44.767 45.100 0.010 0.000 0.809 372 G HN 1.296 nan 8.290 nan 0.000 0.522 373 I N -1.463 119.144 120.570 0.061 0.000 2.692 373 I HA 0.554 4.724 4.170 -0.000 0.000 0.284 373 I C 0.957 177.162 176.117 0.148 0.000 1.159 373 I CA -0.175 61.221 61.300 0.160 0.000 1.423 373 I CB 1.672 39.840 38.000 0.281 0.000 1.380 373 I HN 0.445 nan 8.210 nan 0.000 0.580 374 A N 4.600 127.538 122.820 0.198 0.000 2.348 374 A HA 0.779 5.099 4.320 -0.000 0.000 0.224 374 A C 0.771 178.390 177.584 0.057 0.000 1.227 374 A CA 0.456 52.562 52.037 0.115 0.000 0.885 374 A CB -0.332 18.738 19.000 0.117 0.000 0.933 374 A HN 1.161 nan 8.150 nan 0.000 0.506 375 A N -1.157 121.738 122.820 0.125 0.000 2.608 375 A HA 0.537 4.857 4.320 -0.000 0.000 0.292 375 A C -0.572 177.067 177.584 0.091 0.000 1.066 375 A CA -0.253 51.813 52.037 0.049 0.000 0.676 375 A CB 0.248 19.219 19.000 -0.049 0.000 1.277 375 A HN -0.056 nan 8.150 nan 0.000 0.413 376 D N -0.014 120.406 120.400 0.033 0.000 2.213 376 D HA 0.044 4.684 4.640 -0.000 0.000 0.205 376 D C 0.780 177.076 176.300 -0.008 0.000 0.961 376 D CA 1.112 55.126 54.000 0.023 0.000 0.853 376 D CB 0.263 41.065 40.800 0.003 0.000 0.967 376 D HN 0.501 nan 8.370 nan 0.000 0.496 377 R N -0.217 120.276 120.500 -0.011 0.000 2.664 377 R HA 0.483 4.823 4.340 -0.000 0.000 0.286 377 R C 0.155 176.424 176.300 -0.051 0.000 0.967 377 R CA 0.066 56.124 56.100 -0.069 0.000 0.933 377 R CB 1.512 31.782 30.300 -0.051 0.000 1.146 377 R HN 0.126 nan 8.270 nan 0.000 0.468 378 G N 1.640 110.240 108.800 -0.334 0.000 2.728 378 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.294 378 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.294 378 G C -1.131 173.243 174.900 -0.876 0.000 1.342 378 G CA -0.401 44.360 45.100 -0.565 0.000 0.866 378 G HN 0.630 nan 8.290 nan 0.000 0.534 379 Y N -0.065 119.874 120.300 -0.601 0.000 2.723 379 Y HA 0.549 5.098 4.550 -0.000 0.000 0.374 379 Y C 0.511 176.268 175.900 -0.238 0.000 1.062 379 Y CA -0.688 56.986 58.100 -0.710 0.000 1.321 379 Y CB 0.198 38.301 38.460 -0.595 0.000 1.405 379 Y HN 0.357 nan 8.280 nan 0.000 0.583 380 F N 1.638 121.717 119.950 0.215 0.000 2.394 380 F HA 0.539 5.065 4.527 -0.001 0.000 0.340 380 F C 0.139 176.145 175.800 0.343 0.000 1.105 380 F CA -0.793 57.350 58.000 0.238 0.000 1.124 380 F CB 0.923 39.984 39.000 0.102 0.000 1.145 380 F HN 0.028 nan 8.300 nan 0.000 0.505 381 I N 2.501 123.306 120.570 0.392 0.000 2.545 381 I HA 0.232 4.402 4.170 -0.000 0.000 0.292 381 I C -0.597 175.623 176.117 0.173 0.000 1.040 381 I CA -0.975 60.459 61.300 0.223 0.000 1.068 381 I CB 2.016 40.082 38.000 0.111 0.000 1.251 381 I HN 0.526 nan 8.210 nan 0.000 0.424 382 Q N 5.940 125.809 119.800 0.115 0.000 2.364 382 Q HA 0.160 4.500 4.340 -0.000 0.000 0.267 382 Q C -2.294 173.756 176.000 0.083 0.000 0.999 382 Q CA -1.527 54.321 55.803 0.075 0.000 0.886 382 Q CB 0.084 28.843 28.738 0.036 0.000 1.243 382 Q HN 0.245 nan 8.270 nan 0.000 0.415 383 P HA -0.032 nan 4.420 nan 0.000 0.260 383 P C -1.128 176.243 177.300 0.118 0.000 1.207 383 P CA 0.528 63.687 63.100 0.097 0.000 0.780 383 P CB 0.470 32.047 31.700 -0.204 0.000 0.789 384 T N 3.013 117.694 114.554 0.211 0.000 2.824 384 T HA 0.478 4.828 4.350 -0.000 0.000 0.280 384 T C -0.207 174.532 174.700 0.066 0.000 0.995 384 T CA -0.452 61.676 62.100 0.046 0.000 1.009 384 T CB 1.038 69.889 68.868 -0.027 0.000 0.955 384 T HN -0.064 nan 8.240 nan 0.000 0.452 385 V N 3.521 123.382 119.914 -0.089 0.000 2.531 385 V HA 0.508 4.628 4.120 -0.000 0.000 0.301 385 V C -1.026 174.944 176.094 -0.207 0.000 1.034 385 V CA -0.925 61.353 62.300 -0.037 0.000 0.865 385 V CB 1.289 33.140 31.823 0.048 0.000 0.995 385 V HN 0.826 nan 8.190 nan 0.000 0.424 386 F N 2.337 122.310 119.950 0.038 0.000 2.436 386 F HA 0.772 5.298 4.527 -0.000 0.000 0.340 386 F C 0.935 176.766 175.800 0.051 0.000 1.113 386 F CA -0.191 57.830 58.000 0.035 0.000 1.022 386 F CB 2.059 41.069 39.000 0.016 0.000 1.128 386 F HN 0.605 nan 8.300 nan 0.000 0.466 387 G N 0.780 109.737 108.800 0.262 0.000 2.471 387 G HA2 0.358 4.317 3.960 -0.000 0.000 0.332 387 G HA3 0.358 4.317 3.960 -0.000 0.000 0.332 387 G C -0.682 174.365 174.900 0.245 0.000 1.176 387 G CA -0.692 44.555 45.100 0.245 0.000 0.949 387 G HN 0.706 nan 8.290 nan 0.000 0.488 388 D N -0.934 119.632 120.400 0.278 0.000 2.686 388 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 388 D C 0.532 176.880 176.300 0.080 0.000 1.160 388 D CA 0.656 54.735 54.000 0.131 0.000 0.645 388 D CB -1.175 39.682 40.800 0.096 0.000 1.039 388 D HN 0.194 nan 8.370 nan 0.000 0.423 389 V N 0.887 120.847 119.914 0.076 0.000 2.614 389 V HA 0.067 4.187 4.120 -0.000 0.000 0.291 389 V C 0.844 176.931 176.094 -0.012 0.000 1.049 389 V CA -0.054 62.253 62.300 0.012 0.000 1.038 389 V CB 1.725 33.537 31.823 -0.020 0.000 0.980 389 V HN 0.059 nan 8.190 nan 0.000 0.481 390 Q N 2.078 121.868 119.800 -0.017 0.000 2.266 390 Q HA 0.325 4.665 4.340 -0.000 0.000 0.261 390 Q C 0.491 176.489 176.000 -0.002 0.000 0.985 390 Q CA -0.744 55.059 55.803 0.000 0.000 0.873 390 Q CB 1.468 30.209 28.738 0.006 0.000 1.306 390 Q HN 0.660 nan 8.270 nan 0.000 0.447 391 D N 1.543 121.963 120.400 0.033 0.000 2.133 391 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 391 D C 1.538 177.853 176.300 0.025 0.000 0.997 391 D CA 1.848 55.877 54.000 0.048 0.000 0.840 391 D CB -0.134 40.721 40.800 0.090 0.000 0.947 391 D HN 0.842 nan 8.370 nan 0.000 0.452 392 G N -0.198 108.613 108.800 0.018 0.000 2.598 392 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.215 392 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.215 392 G C 0.764 175.662 174.900 -0.003 0.000 1.131 392 G CA -0.069 45.038 45.100 0.010 0.000 0.785 392 G HN 0.187 nan 8.290 nan 0.000 0.539 393 M N 0.636 120.224 119.600 -0.019 0.000 2.248 393 M HA 0.126 4.606 4.480 -0.000 0.000 0.337 393 M C 1.873 178.149 176.300 -0.040 0.000 1.121 393 M CA -0.105 55.170 55.300 -0.041 0.000 1.155 393 M CB 0.954 33.508 32.600 -0.077 0.000 1.514 393 M HN -0.053 nan 8.290 nan 0.000 0.452 394 T N 2.657 117.192 114.554 -0.031 0.000 2.684 394 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 394 T C 1.541 176.209 174.700 -0.054 0.000 1.036 394 T CA 1.859 63.959 62.100 0.001 0.000 1.148 394 T CB -0.470 68.434 68.868 0.059 0.000 0.863 394 T HN 0.771 nan 8.240 nan 0.000 0.436 395 I N -0.108 120.389 120.570 -0.122 0.000 2.850 395 I HA 0.099 4.269 4.170 -0.000 0.000 0.266 395 I C 2.243 178.257 176.117 -0.172 0.000 1.257 395 I CA 1.006 62.179 61.300 -0.210 0.000 1.465 395 I CB -0.441 37.382 38.000 -0.295 0.000 1.091 395 I HN 0.100 nan 8.210 nan 0.000 0.467 396 A N 0.907 123.658 122.820 -0.116 0.000 2.220 396 A HA 0.189 4.509 4.320 -0.000 0.000 0.211 396 A C 2.167 179.732 177.584 -0.031 0.000 1.176 396 A CA 0.159 52.145 52.037 -0.085 0.000 0.834 396 A CB -0.014 18.942 19.000 -0.073 0.000 0.868 396 A HN 0.420 nan 8.150 nan 0.000 0.488 397 K N -0.267 120.123 120.400 -0.016 0.000 2.344 397 K HA 0.163 4.482 4.320 -0.000 0.000 0.200 397 K C -0.089 176.562 176.600 0.084 0.000 1.132 397 K CA 0.246 56.560 56.287 0.044 0.000 0.935 397 K CB 0.481 33.006 32.500 0.041 0.000 1.089 397 K HN 0.402 nan 8.250 nan 0.000 0.496 398 E N 1.889 122.098 120.200 0.015 0.000 2.242 398 E HA 0.068 4.418 4.350 -0.000 0.000 0.275 398 E C -0.923 175.595 176.600 -0.136 0.000 1.002 398 E CA -0.318 56.098 56.400 0.027 0.000 0.841 398 E CB 1.549 31.294 29.700 0.075 0.000 1.109 398 E HN 0.075 nan 8.360 nan 0.000 0.394 399 E N 2.854 123.030 120.200 -0.040 0.000 2.159 399 E HA -0.022 4.328 4.350 -0.000 0.000 0.272 399 E C 0.219 176.729 176.600 -0.150 0.000 1.138 399 E CA -0.110 56.224 56.400 -0.109 0.000 0.915 399 E CB 0.319 29.956 29.700 -0.106 0.000 1.028 399 E HN 0.472 nan 8.360 nan 0.000 0.423 400 I N 4.804 125.223 120.570 -0.251 0.000 2.233 400 I HA -0.111 4.059 4.170 -0.000 0.000 0.243 400 I C 0.814 177.044 176.117 0.187 0.000 1.093 400 I CA 0.608 61.767 61.300 -0.235 0.000 1.380 400 I CB -0.115 37.736 38.000 -0.250 0.000 1.067 400 I HN 0.735 nan 8.210 nan 0.000 0.413 401 F N 0.650 120.567 119.950 -0.055 0.000 3.058 401 F HA -0.154 4.373 4.527 -0.000 0.000 0.295 401 F C 0.478 176.297 175.800 0.031 0.000 0.875 401 F CA 0.576 58.580 58.000 0.006 0.000 1.150 401 F CB -1.418 37.632 39.000 0.083 0.000 1.175 401 F HN 0.147 nan 8.300 nan 0.000 0.599 402 G N -0.687 108.123 108.800 0.017 0.000 2.727 402 G HA2 0.633 4.592 3.960 -0.000 0.000 0.289 402 G HA3 0.633 4.592 3.960 -0.000 0.000 0.289 402 G C -2.892 171.966 174.900 -0.069 0.000 1.418 402 G CA -0.644 44.455 45.100 -0.001 0.000 0.818 402 G HN -0.150 nan 8.290 nan 0.000 0.486 403 P HA 0.215 nan 4.420 nan 0.000 0.238 403 P C -0.522 176.796 177.300 0.030 0.000 1.714 403 P CA 0.034 63.168 63.100 0.057 0.000 0.908 403 P CB 0.042 31.896 31.700 0.257 0.000 1.893 404 V N 2.369 122.210 119.914 -0.123 0.000 2.376 404 V HA 0.355 4.475 4.120 -0.000 0.000 0.287 404 V C 0.305 176.300 176.094 -0.165 0.000 1.015 404 V CA -0.675 61.606 62.300 -0.032 0.000 0.834 404 V CB 1.934 33.808 31.823 0.086 0.000 1.001 404 V HN 0.253 nan 8.190 nan 0.000 0.428 405 M N 4.272 123.787 119.600 -0.140 0.000 2.209 405 M HA 0.566 5.046 4.480 -0.000 0.000 0.355 405 M C -0.802 175.518 176.300 0.033 0.000 1.171 405 M CA -0.337 54.867 55.300 -0.160 0.000 1.069 405 M CB 1.370 33.883 32.600 -0.145 0.000 1.622 405 M HN 0.639 nan 8.290 nan 0.000 0.459 406 Q N 5.161 124.951 119.800 -0.017 0.000 2.333 406 Q HA 0.587 4.927 4.340 -0.000 0.000 0.265 406 Q C -1.291 174.702 176.000 -0.013 0.000 0.989 406 Q CA 0.029 55.843 55.803 0.019 0.000 0.842 406 Q CB 1.883 30.584 28.738 -0.061 0.000 1.262 406 Q HN 0.703 nan 8.270 nan 0.000 0.451 407 I N 4.170 124.775 120.570 0.058 0.000 2.382 407 I HA 0.376 4.546 4.170 -0.000 0.000 0.286 407 I C -1.010 175.190 176.117 0.138 0.000 1.002 407 I CA -0.863 60.485 61.300 0.081 0.000 1.135 407 I CB 0.866 38.937 38.000 0.119 0.000 1.288 407 I HN 0.338 nan 8.210 nan 0.000 0.448 408 L N 6.460 127.702 121.223 0.031 0.000 2.330 408 L HA 0.557 4.897 4.340 -0.000 0.000 0.271 408 L C -0.096 176.905 176.870 0.218 0.000 1.013 408 L CA -0.503 54.352 54.840 0.024 0.000 0.816 408 L CB 1.328 43.206 42.059 -0.302 0.000 1.287 408 L HN 0.452 nan 8.230 nan 0.000 0.435 409 K N 1.543 122.000 120.400 0.094 0.000 2.156 409 K HA 0.738 5.057 4.320 -0.000 0.000 0.254 409 K C -1.501 175.234 176.600 0.224 0.000 0.950 409 K CA -0.518 55.772 56.287 0.006 0.000 0.849 409 K CB 1.508 33.685 32.500 -0.538 0.000 1.100 409 K HN 0.540 nan 8.250 nan 0.000 0.434 410 F N 0.743 120.740 119.950 0.078 0.000 2.662 410 F HA 0.442 4.969 4.527 -0.001 0.000 0.312 410 F C 0.089 175.911 175.800 0.037 0.000 1.113 410 F CA -0.925 57.121 58.000 0.078 0.000 0.951 410 F CB 1.528 40.599 39.000 0.119 0.000 1.344 410 F HN 0.513 nan 8.300 nan 0.000 0.462 411 K N 0.150 120.625 120.400 0.126 0.000 2.274 411 K HA 0.200 4.519 4.320 -0.000 0.000 0.219 411 K C 0.279 176.953 176.600 0.123 0.000 1.058 411 K CA 1.043 57.330 56.287 0.001 0.000 0.920 411 K CB 0.152 32.669 32.500 0.029 0.000 1.124 411 K HN 0.904 nan 8.250 nan 0.000 0.464 412 T N -1.468 113.227 114.554 0.236 0.000 2.934 412 T HA 0.229 4.578 4.350 -0.000 0.000 0.283 412 T C 1.273 176.143 174.700 0.283 0.000 1.005 412 T CA -0.746 61.481 62.100 0.212 0.000 1.041 412 T CB 1.437 70.371 68.868 0.111 0.000 1.042 412 T HN 0.259 nan 8.240 nan 0.000 0.505 413 I N 0.350 121.042 120.570 0.203 0.000 2.394 413 I HA -0.082 4.087 4.170 -0.000 0.000 0.251 413 I C 2.087 178.273 176.117 0.115 0.000 1.136 413 I CA 1.403 62.798 61.300 0.158 0.000 1.425 413 I CB -0.050 38.037 38.000 0.146 0.000 1.079 413 I HN 0.753 nan 8.210 nan 0.000 0.425 414 E N 0.692 120.962 120.200 0.117 0.000 2.106 414 E HA -0.270 4.080 4.350 -0.000 0.000 0.192 414 E C 1.950 178.566 176.600 0.027 0.000 0.984 414 E CA 1.300 57.766 56.400 0.110 0.000 0.806 414 E CB -0.221 29.532 29.700 0.087 0.000 0.750 414 E HN 0.554 nan 8.360 nan 0.000 0.458 415 E N 0.556 120.770 120.200 0.024 0.000 2.031 415 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 415 E C 2.105 178.617 176.600 -0.146 0.000 0.994 415 E CA 1.198 57.592 56.400 -0.010 0.000 0.800 415 E CB -0.087 29.657 29.700 0.073 0.000 0.752 415 E HN 0.171 nan 8.360 nan 0.000 0.447 416 V N 0.612 120.348 119.914 -0.296 0.000 2.594 416 V HA -0.195 3.924 4.120 -0.000 0.000 0.253 416 V C 2.298 178.056 176.094 -0.559 0.000 1.069 416 V CA 1.383 63.257 62.300 -0.710 0.000 1.082 416 V CB 0.000 31.030 31.823 -1.323 0.000 0.680 416 V HN 0.227 nan 8.190 nan 0.000 0.469 417 V N 0.605 120.333 119.914 -0.310 0.000 2.261 417 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 417 V C 2.686 178.659 176.094 -0.202 0.000 1.047 417 V CA 2.235 64.394 62.300 -0.235 0.000 1.015 417 V CB -1.492 30.239 31.823 -0.154 0.000 0.642 417 V HN 0.613 nan 8.190 nan 0.000 0.446 418 G N -0.320 108.391 108.800 -0.149 0.000 2.421 418 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 418 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 418 G C 1.750 176.588 174.900 -0.104 0.000 1.171 418 G CA 0.721 45.762 45.100 -0.099 0.000 0.775 418 G HN 0.439 nan 8.290 nan 0.000 0.543 419 R N 0.452 120.858 120.500 -0.157 0.000 2.092 419 R HA 0.069 4.409 4.340 -0.000 0.000 0.231 419 R C 2.989 179.232 176.300 -0.095 0.000 1.119 419 R CA 1.080 57.119 56.100 -0.103 0.000 0.970 419 R CB -0.320 29.907 30.300 -0.121 0.000 0.864 419 R HN 0.355 nan 8.270 nan 0.000 0.440 420 A N 1.390 124.022 122.820 -0.314 0.000 1.930 420 A HA -0.116 4.203 4.320 -0.000 0.000 0.217 420 A C 1.612 179.173 177.584 -0.039 0.000 1.175 420 A CA 1.264 53.199 52.037 -0.171 0.000 0.627 420 A CB -0.236 18.577 19.000 -0.311 0.000 0.815 420 A HN 0.210 nan 8.150 nan 0.000 0.443 421 N N 0.158 118.812 118.700 -0.076 0.000 2.463 421 N HA -0.050 4.689 4.740 -0.000 0.000 0.181 421 N C 0.366 175.875 175.510 -0.003 0.000 1.078 421 N CA 0.187 53.214 53.050 -0.038 0.000 0.902 421 N CB -0.500 37.950 38.487 -0.062 0.000 0.970 421 N HN 0.574 nan 8.380 nan 0.000 0.451 422 N N 1.089 119.793 118.700 0.007 0.000 2.895 422 N HA 0.031 4.771 4.740 -0.000 0.000 0.277 422 N C -1.084 174.456 175.510 0.050 0.000 1.185 422 N CA 0.160 53.225 53.050 0.024 0.000 1.106 422 N CB 0.105 38.608 38.487 0.026 0.000 1.422 422 N HN -0.066 nan 8.380 nan 0.000 0.521 423 S N 0.060 115.788 115.700 0.047 0.000 2.552 423 S HA 0.116 4.585 4.470 -0.000 0.000 0.272 423 S C 0.842 175.460 174.600 0.031 0.000 1.150 423 S CA -0.593 57.646 58.200 0.065 0.000 0.849 423 S CB 1.026 64.304 63.200 0.130 0.000 1.113 423 S HN 0.437 nan 8.310 nan 0.000 0.458 424 T N 0.691 115.225 114.554 -0.033 0.000 3.088 424 T HA 0.234 4.584 4.350 -0.000 0.000 0.259 424 T C 0.632 175.261 174.700 -0.118 0.000 1.122 424 T CA 0.597 62.628 62.100 -0.115 0.000 1.095 424 T CB -0.475 68.261 68.868 -0.220 0.000 0.930 424 T HN 0.537 nan 8.240 nan 0.000 0.508 425 Y N 0.627 120.942 120.300 0.025 0.000 2.392 425 Y HA 0.561 5.111 4.550 -0.000 0.000 0.323 425 Y C 1.371 177.285 175.900 0.024 0.000 1.291 425 Y CA -0.552 57.564 58.100 0.028 0.000 1.345 425 Y CB 1.502 39.983 38.460 0.035 0.000 1.320 425 Y HN 0.139 nan 8.280 nan 0.000 0.518 426 G N 0.854 109.784 108.800 0.217 0.000 4.890 426 G HA2 0.022 3.982 3.960 -0.000 0.000 0.225 426 G HA3 0.022 3.982 3.960 -0.000 0.000 0.225 426 G C -0.186 174.701 174.900 -0.021 0.000 2.100 426 G CA -0.335 44.805 45.100 0.067 0.000 0.773 426 G HN 0.530 nan 8.290 nan 0.000 0.279 427 L N 0.584 121.806 121.223 -0.001 0.000 2.068 427 L HA 0.747 5.087 4.340 -0.000 0.000 0.204 427 L C 1.150 177.924 176.870 -0.161 0.000 1.076 427 L CA 2.420 57.205 54.840 -0.091 0.000 0.753 427 L CB -0.045 42.004 42.059 -0.016 0.000 0.910 427 L HN 0.572 nan 8.230 nan 0.000 0.439 428 A N -2.155 120.621 122.820 -0.073 0.000 2.568 428 A HA 0.907 5.226 4.320 -0.000 0.000 0.291 428 A C -1.419 176.133 177.584 -0.053 0.000 1.159 428 A CA -0.126 51.820 52.037 -0.151 0.000 0.679 428 A CB 0.801 19.744 19.000 -0.094 0.000 1.285 428 A HN 0.562 nan 8.150 nan 0.000 0.428 429 A N -1.463 121.309 122.820 -0.080 0.000 2.586 429 A HA 0.976 5.296 4.320 -0.000 0.000 0.291 429 A C -0.712 176.977 177.584 0.175 0.000 1.062 429 A CA 0.137 52.229 52.037 0.092 0.000 0.666 429 A CB 0.401 19.394 19.000 -0.010 0.000 1.281 429 A HN 2.676 nan 8.150 nan 0.000 0.421 430 A N -0.404 122.622 122.820 0.344 0.000 2.556 430 A HA 0.829 5.149 4.320 -0.000 0.000 0.294 430 A C -1.510 176.297 177.584 0.372 0.000 1.091 430 A CA -0.500 51.804 52.037 0.445 0.000 0.704 430 A CB 1.644 21.153 19.000 0.849 0.000 1.300 430 A HN 1.834 nan 8.150 nan 0.000 0.406 431 V N 0.903 121.011 119.914 0.323 0.000 2.569 431 V HA 0.499 4.619 4.120 -0.000 0.000 0.301 431 V C -1.663 174.570 176.094 0.232 0.000 1.044 431 V CA -0.204 62.260 62.300 0.273 0.000 0.874 431 V CB 1.386 33.289 31.823 0.134 0.000 1.002 431 V HN 0.703 nan 8.190 nan 0.000 0.424 432 F N 2.966 123.031 119.950 0.191 0.000 2.347 432 F HA 0.755 5.281 4.527 -0.001 0.000 0.366 432 F C 0.393 176.304 175.800 0.184 0.000 1.107 432 F CA -0.190 57.936 58.000 0.209 0.000 1.058 432 F CB 1.894 41.028 39.000 0.224 0.000 1.236 432 F HN 0.514 nan 8.300 nan 0.000 0.456 433 T N 1.974 116.656 114.554 0.214 0.000 2.840 433 T HA 0.307 4.656 4.350 -0.000 0.000 0.317 433 T C 0.277 175.048 174.700 0.118 0.000 1.401 433 T CA -0.641 61.565 62.100 0.176 0.000 1.028 433 T CB 1.521 70.480 68.868 0.152 0.000 1.317 433 T HN 0.608 nan 8.240 nan 0.000 0.495 434 K N 0.736 121.199 120.400 0.105 0.000 2.361 434 K HA 0.172 4.492 4.320 -0.000 0.000 0.194 434 K C -0.142 176.491 176.600 0.054 0.000 1.032 434 K CA -0.064 56.266 56.287 0.071 0.000 1.048 434 K CB 0.227 32.768 32.500 0.068 0.000 0.842 434 K HN 0.506 nan 8.250 nan 0.000 0.526 435 D N 0.980 121.417 120.400 0.062 0.000 2.348 435 D HA 0.001 4.640 4.640 -0.000 0.000 0.253 435 D C 0.832 177.159 176.300 0.046 0.000 1.161 435 D CA -0.222 53.808 54.000 0.049 0.000 0.876 435 D CB 1.030 41.861 40.800 0.052 0.000 1.160 435 D HN -0.167 nan 8.370 nan 0.000 0.459 436 L N 4.132 125.376 121.223 0.035 0.000 1.994 436 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 436 L C 1.321 178.217 176.870 0.042 0.000 1.071 436 L CA 1.887 56.747 54.840 0.033 0.000 0.745 436 L CB -0.501 41.573 42.059 0.024 0.000 0.892 436 L HN 0.507 nan 8.230 nan 0.000 0.431 437 D N -0.202 120.220 120.400 0.037 0.000 2.123 437 D HA -0.205 4.435 4.640 -0.000 0.000 0.196 437 D C 2.163 178.507 176.300 0.074 0.000 0.992 437 D CA 1.473 55.498 54.000 0.042 0.000 0.833 437 D CB -0.107 40.699 40.800 0.011 0.000 0.954 437 D HN 0.422 nan 8.370 nan 0.000 0.455 438 K N 0.630 121.071 120.400 0.068 0.000 2.057 438 K HA -0.038 4.282 4.320 -0.000 0.000 0.207 438 K C 2.192 178.876 176.600 0.140 0.000 1.049 438 K CA 1.123 57.477 56.287 0.111 0.000 0.931 438 K CB -0.102 32.456 32.500 0.098 0.000 0.714 438 K HN 0.030 nan 8.250 nan 0.000 0.440 439 A N 2.096 124.973 122.820 0.096 0.000 1.883 439 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 439 A C 1.836 179.459 177.584 0.066 0.000 1.186 439 A CA 1.772 53.852 52.037 0.073 0.000 0.624 439 A CB -0.501 18.528 19.000 0.048 0.000 0.822 439 A HN 0.234 nan 8.150 nan 0.000 0.444 440 N N -1.660 117.085 118.700 0.074 0.000 2.188 440 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 440 N C 1.586 177.151 175.510 0.093 0.000 1.018 440 N CA 1.555 54.644 53.050 0.065 0.000 0.858 440 N CB -0.578 37.947 38.487 0.062 0.000 0.989 440 N HN 0.661 nan 8.380 nan 0.000 0.426 441 Y N 1.647 121.944 120.300 -0.003 0.000 2.114 441 Y HA -0.066 4.483 4.550 -0.001 0.000 0.284 441 Y C 2.172 178.060 175.900 -0.020 0.000 1.143 441 Y CA 1.391 59.485 58.100 -0.008 0.000 1.135 441 Y CB -0.456 38.002 38.460 -0.003 0.000 0.980 441 Y HN -0.059 nan 8.280 nan 0.000 0.499 442 L N -0.334 120.907 121.223 0.029 0.000 2.072 442 L HA -0.188 4.152 4.340 -0.000 0.000 0.205 442 L C 2.720 179.521 176.870 -0.115 0.000 1.079 442 L CA 1.489 56.275 54.840 -0.090 0.000 0.752 442 L CB -0.833 41.236 42.059 0.016 0.000 0.906 442 L HN 0.339 nan 8.230 nan 0.000 0.436 443 S N -0.938 114.725 115.700 -0.062 0.000 2.419 443 S HA -0.290 4.180 4.470 -0.000 0.000 0.233 443 S C 1.892 176.426 174.600 -0.109 0.000 1.016 443 S CA 1.392 59.543 58.200 -0.082 0.000 0.974 443 S CB -0.344 62.825 63.200 -0.052 0.000 0.786 443 S HN 0.526 nan 8.310 nan 0.000 0.492 444 Q N 0.887 120.620 119.800 -0.112 0.000 2.123 444 Q HA 0.188 4.528 4.340 -0.000 0.000 0.196 444 Q C 2.248 178.155 176.000 -0.156 0.000 0.958 444 Q CA 0.867 56.603 55.803 -0.112 0.000 0.841 444 Q CB -0.389 28.297 28.738 -0.087 0.000 0.915 444 Q HN 0.681 nan 8.270 nan 0.000 0.455 445 A N 0.785 123.455 122.820 -0.249 0.000 1.968 445 A HA 0.067 4.387 4.320 -0.000 0.000 0.217 445 A C 0.955 178.418 177.584 -0.201 0.000 1.169 445 A CA 0.200 52.071 52.037 -0.276 0.000 0.638 445 A CB -0.381 18.332 19.000 -0.478 0.000 0.812 445 A HN 0.360 nan 8.150 nan 0.000 0.446 446 L N 1.017 122.123 121.223 -0.194 0.000 2.462 446 L HA 0.044 4.384 4.340 -0.000 0.000 0.272 446 L C 0.031 176.774 176.870 -0.211 0.000 1.166 446 L CA -0.120 54.610 54.840 -0.182 0.000 0.880 446 L CB 0.391 42.348 42.059 -0.170 0.000 1.142 446 L HN 0.395 nan 8.230 nan 0.000 0.473 447 Q N 3.780 123.472 119.800 -0.180 0.000 2.844 447 Q HA 0.513 4.853 4.340 -0.000 0.000 0.235 447 Q C -0.331 175.397 176.000 -0.455 0.000 1.336 447 Q CA -0.232 55.451 55.803 -0.201 0.000 1.026 447 Q CB 0.722 29.464 28.738 0.006 0.000 1.513 447 Q HN 0.700 nan 8.270 nan 0.000 0.577 448 A N -0.084 122.213 122.820 -0.871 0.000 2.572 448 A HA 0.679 4.999 4.320 -0.000 0.000 0.295 448 A C 0.845 177.790 177.584 -1.066 0.000 1.072 448 A CA -0.385 51.162 52.037 -0.816 0.000 0.691 448 A CB 1.079 19.836 19.000 -0.404 0.000 1.291 448 A HN 0.537 nan 8.150 nan 0.000 0.404 449 G N -0.086 108.323 108.800 -0.652 0.000 2.422 449 G HA2 0.270 4.229 3.960 -0.000 0.000 0.218 449 G HA3 0.270 4.229 3.960 -0.000 0.000 0.218 449 G C 0.530 175.204 174.900 -0.376 0.000 1.146 449 G CA 1.760 46.636 45.100 -0.374 0.000 0.769 449 G HN 0.871 nan 8.290 nan 0.000 0.547 450 T N -0.424 113.858 114.554 -0.453 0.000 2.881 450 T HA 0.514 4.864 4.350 -0.000 0.000 0.290 450 T C -1.167 173.114 174.700 -0.698 0.000 1.000 450 T CA -0.397 61.352 62.100 -0.584 0.000 0.978 450 T CB 2.742 71.177 68.868 -0.722 0.000 0.997 450 T HN -0.095 nan 8.240 nan 0.000 0.443 451 V N 3.830 123.384 119.914 -0.601 0.000 2.376 451 V HA 0.402 4.522 4.120 -0.000 0.000 0.287 451 V C -0.718 175.162 176.094 -0.356 0.000 1.015 451 V CA -1.026 61.026 62.300 -0.412 0.000 0.834 451 V CB 1.114 32.792 31.823 -0.241 0.000 1.001 451 V HN 0.770 nan 8.190 nan 0.000 0.428 452 W N 3.714 124.928 121.300 -0.144 0.000 2.365 452 W HA 0.616 5.275 4.660 -0.000 0.000 0.316 452 W C -0.473 175.991 176.519 -0.091 0.000 1.164 452 W CA -0.649 56.612 57.345 -0.139 0.000 1.204 452 W CB 1.816 31.152 29.460 -0.207 0.000 1.213 452 W HN 0.259 nan 8.180 nan 0.000 0.539 453 V N 4.754 124.733 119.914 0.109 0.000 2.409 453 V HA 0.136 4.256 4.120 -0.000 0.000 0.291 453 V C 0.196 176.190 176.094 -0.166 0.000 1.020 453 V CA -0.974 61.307 62.300 -0.032 0.000 0.848 453 V CB 1.190 33.006 31.823 -0.011 0.000 0.990 453 V HN 0.656 nan 8.190 nan 0.000 0.430 454 N N 2.118 120.490 118.700 -0.548 0.000 2.725 454 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 454 N C -0.316 175.005 175.510 -0.315 0.000 1.103 454 N CA 1.270 53.882 53.050 -0.730 0.000 0.707 454 N CB -1.035 37.358 38.487 -0.156 0.000 1.043 454 N HN 1.124 nan 8.380 nan 0.000 0.553 455 C N -4.411 114.664 119.300 -0.375 0.000 3.211 455 C HA 0.781 5.241 4.460 -0.000 0.000 0.350 455 C C -1.274 173.819 174.990 0.171 0.000 1.413 455 C CA -1.341 57.742 59.018 0.108 0.000 1.203 455 C CB 1.574 29.380 27.740 0.110 0.000 1.506 455 C HN 0.283 nan 8.230 nan 0.000 0.448 456 Y N -0.186 119.951 120.300 -0.271 0.000 2.641 456 Y HA 0.461 5.011 4.550 -0.001 0.000 0.333 456 Y C -0.483 174.774 175.900 -1.072 0.000 1.174 456 Y CA 0.460 58.132 58.100 -0.714 0.000 1.057 456 Y CB 1.313 39.660 38.460 -0.188 0.000 1.322 456 Y HN 1.042 nan 8.280 nan 0.000 0.457 457 D N 1.789 121.004 120.400 -1.975 0.000 2.708 457 D HA -0.131 4.508 4.640 -0.000 0.000 0.236 457 D C -0.997 174.818 176.300 -0.809 0.000 1.146 457 D CA 0.955 54.249 54.000 -1.178 0.000 0.662 457 D CB -0.970 39.681 40.800 -0.248 0.000 1.059 457 D HN 0.162 nan 8.370 nan 0.000 0.428 458 V N 1.507 120.794 119.914 -1.044 0.000 2.284 458 V HA 0.280 4.400 4.120 -0.000 0.000 0.260 458 V C 0.496 176.502 176.094 -0.147 0.000 1.084 458 V CA -0.381 61.722 62.300 -0.327 0.000 0.894 458 V CB -0.173 31.558 31.823 -0.153 0.000 1.119 458 V HN 0.007 nan 8.190 nan 0.000 0.484 459 F N 2.309 122.299 119.950 0.068 0.000 2.404 459 F HA 0.763 5.290 4.527 -0.000 0.000 0.339 459 F C 0.902 176.713 175.800 0.018 0.000 1.105 459 F CA -0.372 57.657 58.000 0.049 0.000 1.087 459 F CB 1.948 40.976 39.000 0.048 0.000 1.143 459 F HN 0.470 nan 8.300 nan 0.000 0.491 460 G N 0.684 109.570 108.800 0.143 0.000 2.687 460 G HA2 0.498 4.457 3.960 -0.000 0.000 0.301 460 G HA3 0.498 4.457 3.960 -0.000 0.000 0.301 460 G C 0.166 174.994 174.900 -0.121 0.000 1.416 460 G CA -0.431 44.679 45.100 0.016 0.000 1.005 460 G HN 0.881 nan 8.290 nan 0.000 0.509 461 A N 1.520 124.205 122.820 -0.225 0.000 2.131 461 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 461 A C 2.061 179.045 177.584 -1.001 0.000 1.158 461 A CA 1.821 53.551 52.037 -0.512 0.000 0.665 461 A CB -0.064 18.654 19.000 -0.470 0.000 0.795 461 A HN 0.599 nan 8.150 nan 0.000 0.460 462 Q N -0.275 119.113 119.800 -0.688 0.000 2.354 462 Q HA 0.159 4.498 4.340 -0.000 0.000 0.203 462 Q C 0.343 176.282 176.000 -0.102 0.000 0.933 462 Q CA 0.688 56.219 55.803 -0.453 0.000 0.901 462 Q CB 0.200 28.854 28.738 -0.141 0.000 1.007 462 Q HN 0.454 nan 8.270 nan 0.000 0.495 463 S N 2.414 118.062 115.700 -0.087 0.000 2.462 463 S HA 0.385 4.855 4.470 -0.000 0.000 0.294 463 S C -2.474 172.125 174.600 -0.002 0.000 1.144 463 S CA -1.395 56.805 58.200 -0.000 0.000 1.088 463 S CB 1.148 64.345 63.200 -0.005 0.000 1.009 463 S HN 0.061 nan 8.310 nan 0.000 0.484 464 P HA 0.216 nan 4.420 nan 0.000 0.269 464 P C -1.015 176.305 177.300 0.033 0.000 1.209 464 P CA -0.188 62.900 63.100 -0.020 0.000 0.776 464 P CB 0.349 31.904 31.700 -0.240 0.000 0.876 465 F N 1.563 121.428 119.950 -0.142 0.000 2.561 465 F HA 0.689 5.216 4.527 -0.000 0.000 0.313 465 F C -0.262 175.508 175.800 -0.051 0.000 1.126 465 F CA 0.041 57.988 58.000 -0.088 0.000 0.918 465 F CB 2.084 41.067 39.000 -0.029 0.000 1.199 465 F HN 0.634 nan 8.300 nan 0.000 0.444 466 G N 2.084 110.502 108.800 -0.636 0.000 2.451 466 G HA2 0.509 4.469 3.960 -0.000 0.000 0.292 466 G HA3 0.509 4.469 3.960 -0.000 0.000 0.292 466 G C -1.607 173.063 174.900 -0.384 0.000 1.427 466 G CA -0.203 44.635 45.100 -0.438 0.000 0.792 466 G HN 0.997 nan 8.290 nan 0.000 0.498 467 G N -1.478 107.210 108.800 -0.187 0.000 2.489 467 G HA2 0.623 4.583 3.960 -0.000 0.000 0.327 467 G HA3 0.623 4.583 3.960 -0.000 0.000 0.327 467 G C -1.421 173.563 174.900 0.140 0.000 1.189 467 G CA -0.554 44.516 45.100 -0.049 0.000 0.962 467 G HN 0.412 nan 8.290 nan 0.000 0.486 468 Y N 0.274 120.519 120.300 -0.091 0.000 2.519 468 Y HA 0.443 4.993 4.550 -0.001 0.000 0.324 468 Y C 1.447 177.325 175.900 -0.036 0.000 1.214 468 Y CA -0.921 57.139 58.100 -0.068 0.000 1.260 468 Y CB 1.418 39.837 38.460 -0.067 0.000 1.311 468 Y HN 0.851 nan 8.280 nan 0.000 0.505 469 K N -0.423 120.033 120.400 0.094 0.000 1.824 469 K HA -0.325 3.995 4.320 -0.000 0.000 0.120 469 K C 0.781 177.390 176.600 0.015 0.000 1.268 469 K CA 2.088 58.396 56.287 0.036 0.000 0.420 469 K CB -1.075 31.457 32.500 0.052 0.000 0.586 469 K HN 0.663 nan 8.250 nan 0.000 0.907 470 M N 0.906 120.502 119.600 -0.006 0.000 2.563 470 M HA 0.033 4.513 4.480 -0.000 0.000 0.231 470 M C 1.044 177.376 176.300 0.054 0.000 1.136 470 M CA 0.553 55.834 55.300 -0.032 0.000 1.026 470 M CB 0.259 32.772 32.600 -0.145 0.000 1.597 470 M HN 0.289 nan 8.290 nan 0.000 0.495 471 S N 0.560 116.341 115.700 0.135 0.000 2.603 471 S HA 0.314 4.784 4.470 -0.000 0.000 0.220 471 S C 0.893 175.552 174.600 0.098 0.000 0.967 471 S CA 0.508 58.830 58.200 0.203 0.000 0.920 471 S CB 0.133 63.446 63.200 0.187 0.000 0.773 471 S HN 0.775 nan 8.310 nan 0.000 0.529 472 G N 0.655 109.493 108.800 0.063 0.000 2.334 472 G HA2 0.227 4.187 3.960 -0.000 0.000 0.315 472 G HA3 0.227 4.187 3.960 -0.000 0.000 0.315 472 G C -1.085 173.816 174.900 0.002 0.000 1.284 472 G CA -0.425 44.697 45.100 0.037 0.000 0.985 472 G HN 0.744 nan 8.290 nan 0.000 0.504 473 S N -1.213 114.481 115.700 -0.010 0.000 2.541 473 S HA 1.007 5.476 4.470 -0.000 0.000 0.271 473 S C 0.360 174.934 174.600 -0.042 0.000 1.133 473 S CA 0.517 58.694 58.200 -0.038 0.000 0.876 473 S CB 1.567 64.744 63.200 -0.039 0.000 1.105 473 S HN 3.051 nan 8.310 nan 0.000 0.470 474 G N 1.557 110.322 108.800 -0.058 0.000 2.781 474 G HA2 0.106 4.065 3.960 -0.000 0.000 0.683 474 G HA3 0.106 4.065 3.960 -0.000 0.000 0.683 474 G C -1.374 173.494 174.900 -0.052 0.000 1.390 474 G CA -1.009 44.059 45.100 -0.053 0.000 0.850 474 G HN 0.815 nan 8.290 nan 0.000 0.557 475 R N 0.365 120.847 120.500 -0.031 0.000 2.750 475 R HA 0.585 4.925 4.340 -0.000 0.000 0.281 475 R C -0.161 176.153 176.300 0.024 0.000 0.972 475 R CA -0.728 55.354 56.100 -0.031 0.000 0.912 475 R CB 1.911 32.172 30.300 -0.065 0.000 1.187 475 R HN 0.769 nan 8.270 nan 0.000 0.464 476 E N 1.973 122.186 120.200 0.022 0.000 2.235 476 E HA 0.576 4.926 4.350 -0.000 0.000 0.265 476 E C -0.241 176.346 176.600 -0.020 0.000 0.940 476 E CA -0.945 55.469 56.400 0.025 0.000 0.819 476 E CB 1.817 31.523 29.700 0.011 0.000 1.206 476 E HN 0.313 nan 8.360 nan 0.000 0.409 477 L N -0.047 121.191 121.223 0.025 0.000 0.584 477 L HA -0.278 4.062 4.340 -0.000 0.000 0.356 477 L C 0.610 177.584 176.870 0.173 0.000 0.992 477 L CA 0.821 55.692 54.840 0.051 0.000 1.223 477 L CB -1.259 40.640 42.059 -0.266 0.000 0.009 477 L HN 1.040 nan 8.230 nan 0.000 0.091 478 G N 0.406 109.260 108.800 0.091 0.000 2.698 478 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.233 478 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.233 478 G C 0.387 175.495 174.900 0.348 0.000 1.352 478 G CA 0.822 46.080 45.100 0.264 0.000 0.879 478 G HN 1.108 nan 8.290 nan 0.000 0.567 479 E N -1.006 119.348 120.200 0.256 0.000 2.106 479 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 479 E C 2.211 178.626 176.600 -0.309 0.000 0.984 479 E CA 1.614 57.851 56.400 -0.271 0.000 0.806 479 E CB -0.130 29.448 29.700 -0.205 0.000 0.750 479 E HN 0.613 nan 8.360 nan 0.000 0.458 480 Y N -0.040 120.231 120.300 -0.048 0.000 2.256 480 Y HA -0.103 4.447 4.550 -0.001 0.000 0.288 480 Y C 2.439 178.305 175.900 -0.057 0.000 1.155 480 Y CA 1.129 59.204 58.100 -0.041 0.000 1.203 480 Y CB -0.769 37.691 38.460 -0.000 0.000 0.980 480 Y HN 0.149 nan 8.280 nan 0.000 0.530 481 G N -0.211 108.692 108.800 0.172 0.000 2.527 481 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 481 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 481 G C 1.420 176.355 174.900 0.058 0.000 1.117 481 G CA 0.786 45.980 45.100 0.156 0.000 0.759 481 G HN 0.420 nan 8.290 nan 0.000 0.556 482 L N -0.738 120.391 121.223 -0.156 0.000 2.416 482 L HA 0.086 4.426 4.340 -0.000 0.000 0.216 482 L C 2.885 179.611 176.870 -0.240 0.000 1.098 482 L CA 0.150 54.786 54.840 -0.340 0.000 0.840 482 L CB -0.247 41.203 42.059 -1.015 0.000 0.981 482 L HN 0.212 nan 8.230 nan 0.000 0.462 483 Q N 0.697 120.403 119.800 -0.157 0.000 2.045 483 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 483 Q C 2.440 178.386 176.000 -0.091 0.000 0.991 483 Q CA 1.930 57.703 55.803 -0.051 0.000 0.851 483 Q CB -0.339 28.396 28.738 -0.005 0.000 0.911 483 Q HN 0.561 nan 8.270 nan 0.000 0.418 484 A N 0.002 122.719 122.820 -0.172 0.000 2.070 484 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 484 A C 0.962 178.272 177.584 -0.457 0.000 1.159 484 A CA 1.016 52.851 52.037 -0.338 0.000 0.656 484 A CB -0.437 18.276 19.000 -0.478 0.000 0.800 484 A HN 0.440 nan 8.150 nan 0.000 0.453 485 Y N -0.263 119.997 120.300 -0.067 0.000 2.625 485 Y HA 0.253 4.803 4.550 -0.000 0.000 0.285 485 Y C 0.202 176.085 175.900 -0.030 0.000 1.168 485 Y CA -0.037 58.031 58.100 -0.055 0.000 1.250 485 Y CB 0.384 38.800 38.460 -0.074 0.000 1.130 485 Y HN 0.041 nan 8.280 nan 0.000 0.526 486 T N 0.215 114.795 114.554 0.043 0.000 2.881 486 T HA 0.318 4.668 4.350 -0.000 0.000 0.290 486 T C -1.097 173.597 174.700 -0.010 0.000 1.000 486 T CA -0.699 61.426 62.100 0.041 0.000 0.978 486 T CB 1.953 70.849 68.868 0.047 0.000 0.997 486 T HN -0.051 nan 8.240 nan 0.000 0.443 487 E N 2.306 122.518 120.200 0.021 0.000 2.145 487 E HA 0.515 4.864 4.350 -0.000 0.000 0.270 487 E C -0.948 175.663 176.600 0.018 0.000 0.906 487 E CA -0.591 55.817 56.400 0.013 0.000 0.761 487 E CB 0.952 30.679 29.700 0.045 0.000 1.116 487 E HN 0.348 nan 8.360 nan 0.000 0.408 488 V N 5.296 125.208 119.914 -0.004 0.000 2.461 488 V HA 0.316 4.436 4.120 -0.000 0.000 0.275 488 V C 0.189 176.292 176.094 0.016 0.000 1.047 488 V CA -0.454 61.864 62.300 0.030 0.000 0.955 488 V CB 0.999 32.830 31.823 0.013 0.000 0.988 488 V HN 0.549 nan 8.190 nan 0.000 0.471 489 K N 3.135 123.546 120.400 0.019 0.000 2.413 489 K HA 0.493 4.812 4.320 -0.000 0.000 0.257 489 K C -0.612 175.919 176.600 -0.114 0.000 0.946 489 K CA -0.384 55.878 56.287 -0.042 0.000 0.823 489 K CB 1.571 34.050 32.500 -0.035 0.000 1.109 489 K HN 0.720 nan 8.250 nan 0.000 0.427 490 T N 2.820 117.283 114.554 -0.152 0.000 2.806 490 T HA 0.285 4.635 4.350 -0.000 0.000 0.290 490 T C -0.652 173.838 174.700 -0.349 0.000 0.966 490 T CA -0.477 61.479 62.100 -0.240 0.000 1.060 490 T CB 1.178 69.939 68.868 -0.178 0.000 0.927 490 T HN 0.270 nan 8.240 nan 0.000 0.485 491 V N 4.120 123.669 119.914 -0.610 0.000 2.407 491 V HA 0.402 4.522 4.120 -0.000 0.000 0.291 491 V C 0.068 175.804 176.094 -0.597 0.000 1.018 491 V CA -0.742 61.157 62.300 -0.669 0.000 0.842 491 V CB 1.772 32.973 31.823 -1.037 0.000 0.996 491 V HN 0.965 nan 8.190 nan 0.000 0.426 492 T N 4.813 119.165 114.554 -0.337 0.000 2.788 492 T HA 0.531 4.881 4.350 -0.000 0.000 0.296 492 T C -0.267 174.387 174.700 -0.078 0.000 1.009 492 T CA -0.324 61.636 62.100 -0.233 0.000 0.949 492 T CB 1.272 69.971 68.868 -0.282 0.000 0.946 492 T HN 0.324 nan 8.240 nan 0.000 0.453 493 V N 3.919 123.865 119.914 0.054 0.000 2.483 493 V HA 0.443 4.563 4.120 -0.000 0.000 0.295 493 V C 0.434 176.750 176.094 0.371 0.000 1.035 493 V CA -1.142 61.276 62.300 0.196 0.000 0.896 493 V CB 1.710 33.675 31.823 0.236 0.000 0.986 493 V HN 0.728 nan 8.190 nan 0.000 0.447 494 K N 4.030 124.638 120.400 0.346 0.000 2.322 494 K HA 0.515 4.835 4.320 -0.000 0.000 0.283 494 K C -0.534 176.131 176.600 0.108 0.000 1.042 494 K CA -0.288 56.155 56.287 0.260 0.000 0.958 494 K CB 1.158 33.776 32.500 0.196 0.000 0.984 494 K HN 0.672 nan 8.250 nan 0.000 0.473 495 V N 1.889 121.807 119.914 0.007 0.000 2.919 495 V HA 0.431 4.550 4.120 -0.000 0.000 0.316 495 V C -2.132 173.926 176.094 -0.061 0.000 1.077 495 V CA -1.990 60.314 62.300 0.007 0.000 0.977 495 V CB 1.309 33.155 31.823 0.039 0.000 1.039 495 V HN 0.680 nan 8.190 nan 0.000 0.441 496 P HA -0.087 nan 4.420 nan 0.000 0.214 496 P C 0.049 177.308 177.300 -0.068 0.000 1.163 496 P CA 1.386 64.456 63.100 -0.049 0.000 0.889 496 P CB 0.126 31.807 31.700 -0.032 0.000 0.790 497 Q N -1.172 118.591 119.800 -0.061 0.000 2.331 497 Q HA 0.160 4.500 4.340 -0.000 0.000 0.249 497 Q C -1.088 174.882 176.000 -0.050 0.000 0.913 497 Q CA -0.715 55.051 55.803 -0.062 0.000 0.874 497 Q CB 1.147 29.857 28.738 -0.047 0.000 1.384 497 Q HN -0.158 nan 8.270 nan 0.000 0.427 498 K N 3.866 124.235 120.400 -0.052 0.000 2.298 498 K HA 0.294 4.614 4.320 -0.000 0.000 0.280 498 K C -1.026 175.563 176.600 -0.017 0.000 1.032 498 K CA 0.147 56.421 56.287 -0.022 0.000 0.958 498 K CB 0.650 33.150 32.500 0.001 0.000 0.978 498 K HN 0.673 nan 8.250 nan 0.000 0.472 499 N N 1.452 120.143 118.700 -0.015 0.000 2.242 499 N HA 0.106 4.846 4.740 -0.000 0.000 0.292 499 N C -0.849 174.655 175.510 -0.010 0.000 1.125 499 N CA -0.605 52.436 53.050 -0.015 0.000 0.783 499 N CB 1.992 40.465 38.487 -0.024 0.000 1.558 499 N HN 0.718 nan 8.380 nan 0.000 0.472 500 S N 0.000 115.697 115.700 -0.005 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 500 S CB 0.000 63.201 63.200 0.001 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517