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 2onm_1_D DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT KVKTVTVKVP 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 0.000 177.565 177.584 -0.031 0.000 1.274 7 A CA 0.000 52.044 52.037 0.012 0.000 0.836 7 A CB 0.000 19.023 19.000 0.039 0.000 0.831 8 V N 1.339 121.203 119.914 -0.084 0.000 2.448 8 V HA 0.502 4.661 4.120 0.065 0.000 0.295 8 V C -2.118 173.870 176.094 -0.176 0.000 1.025 8 V CA -1.515 60.630 62.300 -0.260 0.000 0.859 8 V CB 1.324 33.047 31.823 -0.167 0.000 0.988 8 V HN 0.535 nan 8.190 nan 0.000 0.431 9 P HA 0.315 nan 4.420 nan 0.000 0.269 9 P C -0.265 177.030 177.300 -0.008 0.000 1.215 9 P CA -0.164 62.886 63.100 -0.083 0.000 0.780 9 P CB 0.492 32.161 31.700 -0.051 0.000 0.898 10 A N 3.767 126.571 122.820 -0.026 0.000 2.491 10 A HA 0.340 4.699 4.320 0.065 0.000 0.261 10 A C -1.691 175.808 177.584 -0.142 0.000 1.101 10 A CA -0.743 51.249 52.037 -0.075 0.000 0.772 10 A CB -0.998 17.965 19.000 -0.061 0.000 1.043 10 A HN 0.427 nan 8.150 nan 0.000 0.501 11 P HA 0.161 nan 4.420 nan 0.000 0.279 11 P C -0.846 176.258 177.300 -0.327 0.000 1.252 11 P CA -0.681 62.129 63.100 -0.483 0.000 0.811 11 P CB 0.798 31.824 31.700 -1.124 0.000 1.035 12 N N 1.487 120.042 118.700 -0.242 0.000 2.469 12 N HA 0.028 4.807 4.740 0.065 0.000 0.239 12 N C 0.856 176.092 175.510 -0.455 0.000 1.053 12 N CA 0.049 52.959 53.050 -0.233 0.000 0.937 12 N CB 0.238 38.680 38.487 -0.074 0.000 1.163 12 N HN 0.231 nan 8.380 nan 0.000 0.509 13 Q N 1.668 121.051 119.800 -0.695 0.000 2.515 13 Q HA -0.094 4.284 4.340 0.065 0.000 0.215 13 Q C -0.216 175.346 176.000 -0.731 0.000 0.983 13 Q CA 0.974 56.017 55.803 -1.266 0.000 0.905 13 Q CB 0.151 28.317 28.738 -0.954 0.000 0.961 13 Q HN 0.655 nan 8.270 nan 0.000 0.503 14 Q N 0.139 119.712 119.800 -0.380 0.000 3.394 14 Q HA 0.235 4.613 4.340 0.065 0.000 0.285 14 Q C -2.538 173.384 176.000 -0.130 0.000 0.866 14 Q CA -1.630 54.052 55.803 -0.202 0.000 0.844 14 Q CB 1.539 30.181 28.738 -0.161 0.000 1.472 14 Q HN 0.050 nan 8.270 nan 0.000 0.401 15 P HA -0.089 nan 4.420 nan 0.000 0.266 15 P C -0.423 176.850 177.300 -0.045 0.000 1.195 15 P CA 0.065 63.153 63.100 -0.020 0.000 0.768 15 P CB 0.695 32.327 31.700 -0.113 0.000 0.838 16 E N 1.613 121.792 120.200 -0.036 0.000 2.343 16 E HA 0.244 4.633 4.350 0.065 0.000 0.269 16 E C -0.963 175.354 176.600 -0.472 0.000 1.047 16 E CA -0.647 55.561 56.400 -0.321 0.000 0.874 16 E CB 0.654 30.053 29.700 -0.502 0.000 1.033 16 E HN 0.095 nan 8.360 nan 0.000 0.409 17 V N 5.545 125.160 119.914 -0.499 0.000 2.370 17 V HA 0.146 4.305 4.120 0.065 0.000 0.283 17 V C -0.110 175.685 176.094 -0.497 0.000 1.023 17 V CA -0.148 61.941 62.300 -0.351 0.000 0.857 17 V CB 0.913 32.624 31.823 -0.186 0.000 0.985 17 V HN 0.694 nan 8.190 nan 0.000 0.443 18 F N 1.813 121.746 119.950 -0.028 0.000 2.622 18 F HA 0.249 4.814 4.527 0.065 0.000 0.288 18 F C 0.981 176.655 175.800 -0.210 0.000 1.120 18 F CA -0.124 57.828 58.000 -0.079 0.000 1.423 18 F CB 0.251 39.241 39.000 -0.016 0.000 1.127 18 F HN 0.359 nan 8.300 nan 0.000 0.588 19 C N 2.109 121.382 119.300 -0.045 0.000 2.340 19 C HA 0.465 4.963 4.460 0.065 0.000 0.323 19 C C 0.413 175.225 174.990 -0.297 0.000 1.260 19 C CA -0.804 57.947 59.018 -0.446 0.000 1.464 19 C CB 0.425 27.878 27.740 -0.479 0.000 2.156 19 C HN 0.548 nan 8.230 nan 0.000 0.476 20 N N 1.056 119.555 118.700 -0.334 0.000 2.261 20 N HA 0.054 4.832 4.740 0.065 0.000 0.241 20 N C -0.419 175.041 175.510 -0.084 0.000 1.374 20 N CA -0.271 52.678 53.050 -0.168 0.000 0.802 20 N CB 0.001 38.389 38.487 -0.166 0.000 1.339 20 N HN 0.787 nan 8.380 nan 0.000 0.498 21 Q N -0.074 119.724 119.800 -0.003 0.000 2.852 21 Q HA 0.570 4.949 4.340 0.065 0.000 0.262 21 Q C -0.470 175.809 176.000 0.465 0.000 1.051 21 Q CA -1.008 54.928 55.803 0.222 0.000 0.894 21 Q CB 1.832 30.732 28.738 0.268 0.000 1.381 21 Q HN 0.111 nan 8.270 nan 0.000 0.501 22 I N 1.240 122.067 120.570 0.428 0.000 2.395 22 I HA 0.151 4.360 4.170 0.065 0.000 0.289 22 I C -0.801 175.536 176.117 0.366 0.000 1.023 22 I CA -0.153 61.371 61.300 0.373 0.000 1.350 22 I CB 0.467 38.622 38.000 0.259 0.000 1.409 22 I HN 0.369 nan 8.210 nan 0.000 0.507 23 F N 8.319 128.282 119.950 0.022 0.000 2.334 23 F HA 0.588 5.154 4.527 0.064 0.000 0.367 23 F C -0.469 175.214 175.800 -0.195 0.000 1.115 23 F CA -0.382 57.396 58.000 -0.369 0.000 1.116 23 F CB 0.341 38.986 39.000 -0.592 0.000 1.230 23 F HN 0.174 nan 8.300 nan 0.000 0.484 24 I N 5.498 125.769 120.570 -0.497 0.000 2.569 24 I HA 0.202 4.410 4.170 0.065 0.000 0.290 24 I C -0.361 175.490 176.117 -0.443 0.000 1.088 24 I CA -1.052 60.060 61.300 -0.314 0.000 1.047 24 I CB 1.830 39.808 38.000 -0.035 0.000 1.237 24 I HN 0.467 nan 8.210 nan 0.000 0.421 25 N N 4.746 123.205 118.700 -0.401 0.000 2.727 25 N HA -0.246 4.532 4.740 0.065 0.000 0.249 25 N C 0.100 175.323 175.510 -0.478 0.000 1.048 25 N CA 1.284 54.141 53.050 -0.323 0.000 0.714 25 N CB -1.056 37.338 38.487 -0.154 0.000 0.959 25 N HN 0.935 nan 8.380 nan 0.000 0.544 26 N N -1.653 116.508 118.700 -0.898 0.000 2.741 26 N HA -0.243 4.536 4.740 0.065 0.000 0.251 26 N C -0.983 174.023 175.510 -0.840 0.000 1.112 26 N CA 1.231 53.739 53.050 -0.903 0.000 0.750 26 N CB -0.388 37.944 38.487 -0.260 0.000 1.119 26 N HN 0.610 nan 8.380 nan 0.000 0.561 27 E N -0.732 118.862 120.200 -1.010 0.000 2.288 27 E HA 0.336 4.724 4.350 0.065 0.000 0.268 27 E C -0.989 175.043 176.600 -0.947 0.000 0.885 27 E CA -0.681 55.263 56.400 -0.760 0.000 0.767 27 E CB 1.101 30.490 29.700 -0.518 0.000 1.220 27 E HN 0.131 nan 8.360 nan 0.000 0.427 28 W N 2.353 123.414 121.300 -0.399 0.000 2.338 28 W HA 0.270 4.969 4.660 0.065 0.000 0.307 28 W C 0.318 176.596 176.519 -0.402 0.000 1.167 28 W CA -0.309 56.892 57.345 -0.240 0.000 1.208 28 W CB 0.761 30.205 29.460 -0.027 0.000 1.228 28 W HN 0.333 nan 8.180 nan 0.000 0.499 29 H N 1.439 120.671 119.070 0.269 0.000 2.865 29 H HA 0.284 4.879 4.556 0.064 0.000 0.372 29 H C -0.623 174.801 175.328 0.162 0.000 1.173 29 H CA -0.855 55.288 56.048 0.158 0.000 1.147 29 H CB 1.753 31.560 29.762 0.075 0.000 1.805 29 H HN 0.287 nan 8.280 nan 0.000 0.553 30 D N 0.324 120.873 120.400 0.249 0.000 2.348 30 D HA 0.348 5.027 4.640 0.065 0.000 0.249 30 D C 0.294 176.683 176.300 0.148 0.000 1.110 30 D CA -0.487 53.611 54.000 0.164 0.000 0.967 30 D CB 1.809 42.678 40.800 0.115 0.000 1.139 30 D HN 0.594 nan 8.370 nan 0.000 0.466 31 A N 0.860 123.755 122.820 0.124 0.000 2.483 31 A HA 0.063 4.422 4.320 0.065 0.000 0.238 31 A C 1.533 179.168 177.584 0.084 0.000 1.070 31 A CA -0.360 51.743 52.037 0.111 0.000 0.770 31 A CB 0.340 19.411 19.000 0.118 0.000 1.008 31 A HN 0.431 nan 8.150 nan 0.000 0.497 32 V N 2.193 122.146 119.914 0.066 0.000 2.392 32 V HA -0.245 3.914 4.120 0.065 0.000 0.249 32 V C 2.664 178.789 176.094 0.052 0.000 1.059 32 V CA 2.739 65.067 62.300 0.046 0.000 1.051 32 V CB -0.839 31.004 31.823 0.033 0.000 0.658 32 V HN 1.120 nan 8.190 nan 0.000 0.455 33 S N -1.117 114.621 115.700 0.064 0.000 2.561 33 S HA -0.084 4.425 4.470 0.065 0.000 0.225 33 S C 1.310 175.950 174.600 0.066 0.000 0.977 33 S CA 0.279 58.517 58.200 0.064 0.000 0.926 33 S CB -0.066 63.178 63.200 0.075 0.000 0.769 33 S HN 0.529 nan 8.310 nan 0.000 0.533 34 R N -0.239 120.303 120.500 0.071 0.000 3.922 34 R HA -0.111 4.268 4.340 0.065 0.000 0.447 34 R C -0.419 175.925 176.300 0.073 0.000 1.035 34 R CA 1.295 57.435 56.100 0.067 0.000 1.289 34 R CB -2.209 28.123 30.300 0.054 0.000 1.906 34 R HN 0.565 nan 8.270 nan 0.000 0.540 35 K N 1.419 121.873 120.400 0.091 0.000 2.276 35 K HA 0.237 4.596 4.320 0.065 0.000 0.259 35 K C 0.736 177.406 176.600 0.118 0.000 1.001 35 K CA 0.996 57.350 56.287 0.112 0.000 0.927 35 K CB 0.531 33.117 32.500 0.145 0.000 0.969 35 K HN 0.299 nan 8.250 nan 0.000 0.490 36 T N -1.024 113.604 114.554 0.123 0.000 2.923 36 T HA 0.591 4.979 4.350 0.065 0.000 0.311 36 T C -0.892 173.898 174.700 0.149 0.000 1.183 36 T CA -1.071 61.069 62.100 0.066 0.000 1.020 36 T CB 0.650 69.504 68.868 -0.023 0.000 1.165 36 T HN 0.465 nan 8.240 nan 0.000 0.482 37 F N -0.049 119.923 119.950 0.037 0.000 2.546 37 F HA 0.905 5.471 4.527 0.064 0.000 0.320 37 F C -3.033 172.785 175.800 0.030 0.000 1.076 37 F CA -3.014 55.026 58.000 0.067 0.000 0.928 37 F CB 1.499 40.524 39.000 0.042 0.000 1.189 37 F HN 0.410 nan 8.300 nan 0.000 0.465 38 P HA 0.194 nan 4.420 nan 0.000 0.282 38 P C -0.993 176.398 177.300 0.150 0.000 1.249 38 P CA -0.203 62.936 63.100 0.066 0.000 0.806 38 P CB 1.964 33.720 31.700 0.093 0.000 0.984 39 T N 1.387 115.964 114.554 0.038 0.000 2.792 39 T HA 0.401 4.790 4.350 0.065 0.000 0.280 39 T C -0.610 174.118 174.700 0.048 0.000 0.990 39 T CA -0.529 61.619 62.100 0.080 0.000 0.960 39 T CB 0.363 69.251 68.868 0.035 0.000 0.939 39 T HN 0.074 nan 8.240 nan 0.000 0.439 40 V N 5.635 125.586 119.914 0.061 0.000 2.617 40 V HA 0.421 4.580 4.120 0.065 0.000 0.298 40 V C 0.592 176.707 176.094 0.035 0.000 1.048 40 V CA -1.022 61.309 62.300 0.052 0.000 0.964 40 V CB 1.587 33.464 31.823 0.090 0.000 1.004 40 V HN 0.955 nan 8.190 nan 0.000 0.466 41 N N 5.541 124.254 118.700 0.021 0.000 2.437 41 N HA 0.230 5.009 4.740 0.065 0.000 0.243 41 N C -1.411 174.094 175.510 -0.009 0.000 1.041 41 N CA -1.498 51.556 53.050 0.006 0.000 0.940 41 N CB 1.317 39.810 38.487 0.011 0.000 1.133 41 N HN 0.416 nan 8.380 nan 0.000 0.506 42 P HA -0.128 nan 4.420 nan 0.000 0.223 42 P C 0.524 177.696 177.300 -0.214 0.000 1.144 42 P CA 1.065 64.169 63.100 0.007 0.000 0.783 42 P CB 0.350 32.042 31.700 -0.012 0.000 0.771 43 S N -0.703 114.914 115.700 -0.138 0.000 2.446 43 S HA -0.031 4.478 4.470 0.065 0.000 0.225 43 S C 1.830 176.456 174.600 0.043 0.000 1.016 43 S CA 1.714 59.892 58.200 -0.037 0.000 0.943 43 S CB -0.536 62.716 63.200 0.087 0.000 0.786 43 S HN 0.458 nan 8.310 nan 0.000 0.508 44 T N -3.294 111.222 114.554 -0.063 0.000 2.958 44 T HA 0.462 4.851 4.350 0.065 0.000 0.256 44 T C 1.462 176.060 174.700 -0.169 0.000 0.983 44 T CA 0.793 62.846 62.100 -0.078 0.000 0.924 44 T CB 0.434 69.283 68.868 -0.031 0.000 1.136 44 T HN 0.473 nan 8.240 nan 0.000 0.506 45 G N 1.611 110.275 108.800 -0.227 0.000 2.179 45 G HA2 -0.207 3.792 3.960 0.065 0.000 0.260 45 G HA3 -0.207 3.792 3.960 0.065 0.000 0.260 45 G C -0.170 174.696 174.900 -0.057 0.000 0.977 45 G CA 0.142 45.115 45.100 -0.212 0.000 0.641 45 G HN 0.615 nan 8.290 nan 0.000 0.533 46 E N 0.015 120.188 120.200 -0.045 0.000 2.319 46 E HA 0.462 4.851 4.350 0.065 0.000 0.268 46 E C 0.593 177.192 176.600 -0.002 0.000 1.050 46 E CA -0.660 55.728 56.400 -0.020 0.000 0.878 46 E CB 1.939 31.623 29.700 -0.025 0.000 1.066 46 E HN 0.121 nan 8.360 nan 0.000 0.406 47 V N 4.088 124.002 119.914 0.001 0.000 2.521 47 V HA -0.012 4.147 4.120 0.065 0.000 0.286 47 V C 1.709 177.794 176.094 -0.016 0.000 1.034 47 V CA 0.319 62.620 62.300 0.002 0.000 1.045 47 V CB 0.180 32.005 31.823 0.003 0.000 0.974 47 V HN 0.616 nan 8.190 nan 0.000 0.480 48 I N 3.971 124.530 120.570 -0.019 0.000 2.277 48 I HA 0.025 4.234 4.170 0.065 0.000 0.243 48 I C 0.974 177.056 176.117 -0.058 0.000 1.094 48 I CA 1.245 62.523 61.300 -0.036 0.000 1.393 48 I CB 0.121 38.102 38.000 -0.032 0.000 1.078 48 I HN 0.877 nan 8.210 nan 0.000 0.417 49 C N -2.202 117.058 119.300 -0.067 0.000 3.165 49 C HA 0.395 4.894 4.460 0.065 0.000 0.345 49 C C -1.219 173.699 174.990 -0.120 0.000 1.367 49 C CA -1.236 57.728 59.018 -0.091 0.000 1.205 49 C CB 1.281 28.954 27.740 -0.110 0.000 1.447 49 C HN 0.134 nan 8.230 nan 0.000 0.451 50 Q N 0.527 120.246 119.800 -0.134 0.000 2.230 50 Q HA 0.765 5.144 4.340 0.065 0.000 0.248 50 Q C -0.590 175.242 176.000 -0.280 0.000 0.915 50 Q CA -0.203 55.490 55.803 -0.184 0.000 0.900 50 Q CB 1.816 30.485 28.738 -0.116 0.000 1.229 50 Q HN 0.762 nan 8.270 nan 0.000 0.439 51 V N 0.708 120.323 119.914 -0.499 0.000 2.760 51 V HA 0.520 4.678 4.120 0.065 0.000 0.309 51 V C -0.410 175.374 176.094 -0.517 0.000 1.077 51 V CA -1.321 60.632 62.300 -0.578 0.000 0.910 51 V CB 1.891 33.181 31.823 -0.889 0.000 1.008 51 V HN 0.891 nan 8.190 nan 0.000 0.424 52 A N 2.726 125.435 122.820 -0.185 0.000 2.567 52 A HA 0.190 4.549 4.320 0.065 0.000 0.240 52 A C 0.388 178.047 177.584 0.125 0.000 1.053 52 A CA 0.322 52.358 52.037 -0.001 0.000 0.755 52 A CB -0.077 18.976 19.000 0.089 0.000 0.978 52 A HN 0.909 nan 8.150 nan 0.000 0.507 53 E N 2.944 123.278 120.200 0.223 0.000 1.986 53 E HA 0.372 4.761 4.350 0.065 0.000 0.264 53 E C 0.645 177.371 176.600 0.210 0.000 1.023 53 E CA -0.296 56.313 56.400 0.348 0.000 0.834 53 E CB 0.230 30.167 29.700 0.395 0.000 1.111 53 E HN 0.815 nan 8.360 nan 0.000 0.417 54 G N 3.357 112.266 108.800 0.183 0.000 2.491 54 G HA2 0.066 4.064 3.960 0.065 0.000 0.242 54 G HA3 0.066 4.064 3.960 0.065 0.000 0.242 54 G C -0.310 174.663 174.900 0.121 0.000 1.266 54 G CA -0.192 44.991 45.100 0.139 0.000 0.844 54 G HN 0.576 nan 8.290 nan 0.000 0.571 55 D N -0.594 119.871 120.400 0.107 0.000 2.798 55 D HA 0.195 4.873 4.640 0.065 0.000 0.308 55 D C 1.254 177.604 176.300 0.083 0.000 1.187 55 D CA -0.807 53.252 54.000 0.098 0.000 1.033 55 D CB 1.618 42.475 40.800 0.096 0.000 1.445 55 D HN 0.280 nan 8.370 nan 0.000 0.550 56 K N 0.262 120.705 120.400 0.071 0.000 2.089 56 K HA -0.201 4.158 4.320 0.065 0.000 0.210 56 K C 1.426 178.065 176.600 0.065 0.000 1.048 56 K CA 1.770 58.096 56.287 0.065 0.000 0.926 56 K CB 0.066 32.591 32.500 0.042 0.000 0.714 56 K HN 0.333 nan 8.250 nan 0.000 0.448 57 E N 0.029 120.261 120.200 0.054 0.000 2.204 57 E HA -0.154 4.235 4.350 0.065 0.000 0.194 57 E C 1.557 178.185 176.600 0.046 0.000 0.989 57 E CA 1.015 57.442 56.400 0.045 0.000 0.824 57 E CB 0.054 29.775 29.700 0.034 0.000 0.756 57 E HN 0.429 nan 8.360 nan 0.000 0.477 58 D N 0.428 120.862 120.400 0.056 0.000 2.137 58 D HA -0.079 4.600 4.640 0.065 0.000 0.202 58 D C 2.122 178.455 176.300 0.056 0.000 0.970 58 D CA 0.673 54.705 54.000 0.053 0.000 0.837 58 D CB 0.093 40.939 40.800 0.077 0.000 0.981 58 D HN 0.026 nan 8.370 nan 0.000 0.475 59 V N 1.874 121.832 119.914 0.074 0.000 2.407 59 V HA -0.193 3.966 4.120 0.065 0.000 0.248 59 V C 2.003 178.147 176.094 0.083 0.000 1.055 59 V CA 1.534 63.880 62.300 0.077 0.000 1.049 59 V CB -0.324 31.563 31.823 0.106 0.000 0.662 59 V HN 0.046 nan 8.190 nan 0.000 0.455 60 D N 0.016 120.489 120.400 0.122 0.000 2.117 60 D HA -0.146 4.532 4.640 0.065 0.000 0.197 60 D C 2.290 178.634 176.300 0.073 0.000 0.987 60 D CA 1.213 55.312 54.000 0.166 0.000 0.829 60 D CB -0.059 40.819 40.800 0.129 0.000 0.961 60 D HN 0.416 nan 8.370 nan 0.000 0.460 61 K N 0.437 120.854 120.400 0.028 0.000 2.057 61 K HA -0.018 4.341 4.320 0.065 0.000 0.206 61 K C 2.110 178.691 176.600 -0.030 0.000 1.050 61 K CA 0.999 57.277 56.287 -0.014 0.000 0.935 61 K CB -0.004 32.466 32.500 -0.049 0.000 0.715 61 K HN -0.008 nan 8.250 nan 0.000 0.439 62 A N 0.900 123.706 122.820 -0.023 0.000 1.877 62 A HA -0.127 4.232 4.320 0.065 0.000 0.216 62 A C 2.340 179.883 177.584 -0.068 0.000 1.186 62 A CA 1.421 53.434 52.037 -0.039 0.000 0.620 62 A CB -0.712 18.279 19.000 -0.015 0.000 0.822 62 A HN 0.069 nan 8.150 nan 0.000 0.443 63 V N -0.112 119.740 119.914 -0.104 0.000 2.407 63 V HA -0.262 3.896 4.120 0.065 0.000 0.248 63 V C 2.541 178.569 176.094 -0.111 0.000 1.055 63 V CA 2.479 64.665 62.300 -0.190 0.000 1.049 63 V CB -0.633 30.892 31.823 -0.498 0.000 0.662 63 V HN 0.546 nan 8.190 nan 0.000 0.455 64 K N 0.251 120.619 120.400 -0.054 0.000 2.026 64 K HA -0.116 4.243 4.320 0.065 0.000 0.208 64 K C 2.206 178.797 176.600 -0.016 0.000 1.048 64 K CA 1.584 57.863 56.287 -0.014 0.000 0.929 64 K CB -0.635 31.866 32.500 0.002 0.000 0.713 64 K HN 0.459 nan 8.250 nan 0.000 0.439 65 A N 0.576 123.376 122.820 -0.034 0.000 1.877 65 A HA -0.126 4.233 4.320 0.065 0.000 0.216 65 A C 2.334 179.903 177.584 -0.026 0.000 1.186 65 A CA 2.054 54.068 52.037 -0.038 0.000 0.620 65 A CB -1.080 17.880 19.000 -0.067 0.000 0.822 65 A HN 0.369 nan 8.150 nan 0.000 0.443 66 A N -0.080 122.716 122.820 -0.040 0.000 1.883 66 A HA -0.204 4.155 4.320 0.065 0.000 0.217 66 A C 2.204 179.811 177.584 0.039 0.000 1.186 66 A CA 2.259 54.279 52.037 -0.028 0.000 0.624 66 A CB -0.504 18.455 19.000 -0.068 0.000 0.822 66 A HN 0.535 nan 8.150 nan 0.000 0.444 67 R N -0.034 120.481 120.500 0.024 0.000 2.105 67 R HA -0.056 4.323 4.340 0.065 0.000 0.239 67 R C 2.086 178.471 176.300 0.142 0.000 1.135 67 R CA 1.863 58.014 56.100 0.086 0.000 0.967 67 R CB -0.599 29.729 30.300 0.047 0.000 0.861 67 R HN 0.405 nan 8.270 nan 0.000 0.442 68 A N 0.189 123.061 122.820 0.087 0.000 1.930 68 A HA 0.043 4.402 4.320 0.065 0.000 0.217 68 A C 2.314 179.962 177.584 0.107 0.000 1.175 68 A CA 1.398 53.484 52.037 0.082 0.000 0.627 68 A CB -0.848 18.178 19.000 0.043 0.000 0.815 68 A HN 0.491 nan 8.150 nan 0.000 0.443 69 A N -2.164 120.723 122.820 0.113 0.000 2.121 69 A HA 0.093 4.452 4.320 0.065 0.000 0.218 69 A C 1.687 179.429 177.584 0.264 0.000 1.154 69 A CA 1.170 53.289 52.037 0.137 0.000 0.679 69 A CB -0.526 18.509 19.000 0.058 0.000 0.795 69 A HN 0.592 nan 8.150 nan 0.000 0.458 70 F N 0.101 120.122 119.950 0.117 0.000 2.727 70 F HA 0.215 4.779 4.527 0.062 0.000 0.302 70 F C 0.646 176.518 175.800 0.121 0.000 1.097 70 F CA -0.265 57.834 58.000 0.165 0.000 1.330 70 F CB 0.228 39.310 39.000 0.136 0.000 1.084 70 F HN 0.077 nan 8.300 nan 0.000 0.578 71 Q N 1.720 121.590 119.800 0.117 0.000 2.330 71 Q HA 0.036 4.414 4.340 0.065 0.000 0.279 71 Q C -0.199 175.770 176.000 -0.053 0.000 1.024 71 Q CA -0.130 55.697 55.803 0.040 0.000 0.900 71 Q CB 0.871 29.645 28.738 0.061 0.000 1.221 71 Q HN 0.264 nan 8.270 nan 0.000 0.396 72 L N 1.674 122.857 121.223 -0.067 0.000 2.601 72 L HA 0.087 4.466 4.340 0.065 0.000 0.277 72 L C 1.251 178.096 176.870 -0.041 0.000 1.219 72 L CA 2.195 56.987 54.840 -0.080 0.000 0.915 72 L CB 0.004 42.035 42.059 -0.046 0.000 1.160 72 L HN 0.933 nan 8.230 nan 0.000 0.494 73 G N 1.873 110.645 108.800 -0.046 0.000 2.195 73 G HA2 -0.282 3.717 3.960 0.065 0.000 0.246 73 G HA3 -0.282 3.717 3.960 0.065 0.000 0.246 73 G C 0.355 175.254 174.900 -0.003 0.000 0.984 73 G CA 0.326 45.414 45.100 -0.021 0.000 0.633 73 G HN 1.102 nan 8.290 nan 0.000 0.525 74 S N 0.599 116.303 115.700 0.006 0.000 2.608 74 S HA 0.554 5.062 4.470 0.065 0.000 0.261 74 S C -0.657 173.985 174.600 0.070 0.000 1.314 74 S CA -0.200 58.029 58.200 0.049 0.000 0.992 74 S CB 1.756 65.005 63.200 0.081 0.000 0.935 74 S HN 0.014 nan 8.310 nan 0.000 0.564 75 P HA -0.092 nan 4.420 nan 0.000 0.215 75 P C 1.275 178.702 177.300 0.211 0.000 1.153 75 P CA 1.161 64.340 63.100 0.132 0.000 0.853 75 P CB -0.102 31.685 31.700 0.145 0.000 0.788 76 W N 0.157 121.481 121.300 0.041 0.000 2.388 76 W HA -0.126 4.574 4.660 0.067 0.000 0.294 76 W C 1.548 178.080 176.519 0.022 0.000 1.212 76 W CA 0.704 58.089 57.345 0.066 0.000 1.271 76 W CB -0.057 29.469 29.460 0.109 0.000 1.126 76 W HN -0.151 nan 8.180 nan 0.000 0.535 77 R N 0.279 120.784 120.500 0.009 0.000 2.153 77 R HA -0.011 4.368 4.340 0.065 0.000 0.218 77 R C 2.068 178.277 176.300 -0.151 0.000 1.072 77 R CA 0.808 56.801 56.100 -0.178 0.000 0.990 77 R CB -0.588 29.590 30.300 -0.203 0.000 0.889 77 R HN 0.310 nan 8.270 nan 0.000 0.452 78 R N -0.272 120.179 120.500 -0.080 0.000 2.173 78 R HA 0.181 4.560 4.340 0.065 0.000 0.208 78 R C 1.153 177.406 176.300 -0.078 0.000 1.035 78 R CA -0.182 55.877 56.100 -0.068 0.000 1.004 78 R CB 0.016 30.295 30.300 -0.034 0.000 0.917 78 R HN 0.105 nan 8.270 nan 0.000 0.462 79 M N 2.398 121.951 119.600 -0.078 0.000 2.248 79 M HA -0.076 4.443 4.480 0.065 0.000 0.343 79 M C -0.756 175.486 176.300 -0.097 0.000 1.243 79 M CA 0.550 55.807 55.300 -0.071 0.000 1.025 79 M CB 0.465 33.053 32.600 -0.019 0.000 1.759 79 M HN -0.042 nan 8.290 nan 0.000 0.452 80 D N 3.927 124.293 120.400 -0.056 0.000 2.443 80 D HA 0.096 4.775 4.640 0.065 0.000 0.239 80 D C 0.827 177.106 176.300 -0.035 0.000 1.136 80 D CA 0.530 54.506 54.000 -0.040 0.000 0.879 80 D CB 1.049 41.838 40.800 -0.019 0.000 1.195 80 D HN 0.752 nan 8.370 nan 0.000 0.443 81 A N 2.174 124.965 122.820 -0.049 0.000 1.908 81 A HA -0.215 4.144 4.320 0.065 0.000 0.218 81 A C 2.102 179.679 177.584 -0.012 0.000 1.181 81 A CA 2.166 54.174 52.037 -0.050 0.000 0.627 81 A CB -0.638 18.347 19.000 -0.025 0.000 0.818 81 A HN 0.596 nan 8.150 nan 0.000 0.445 82 S N -1.158 114.548 115.700 0.010 0.000 2.419 82 S HA -0.250 4.259 4.470 0.065 0.000 0.233 82 S C 1.810 176.437 174.600 0.044 0.000 1.016 82 S CA 1.628 59.841 58.200 0.022 0.000 0.974 82 S CB -0.675 62.539 63.200 0.022 0.000 0.786 82 S HN 0.735 nan 8.310 nan 0.000 0.492 83 H N 1.650 120.692 119.070 -0.048 0.000 2.428 83 H HA 0.241 4.835 4.556 0.064 0.000 0.296 83 H C 2.295 177.596 175.328 -0.045 0.000 1.062 83 H CA 1.327 57.346 56.048 -0.048 0.000 1.350 83 H CB -0.063 29.668 29.762 -0.052 0.000 1.403 83 H HN 0.342 nan 8.280 nan 0.000 0.533 84 R N -0.702 119.766 120.500 -0.054 0.000 2.081 84 R HA -0.078 4.301 4.340 0.065 0.000 0.235 84 R C 2.505 178.806 176.300 0.002 0.000 1.131 84 R CA 1.082 57.160 56.100 -0.037 0.000 0.960 84 R CB -0.556 29.691 30.300 -0.088 0.000 0.856 84 R HN 0.418 nan 8.270 nan 0.000 0.436 85 G N 1.291 110.088 108.800 -0.005 0.000 2.418 85 G HA2 -0.249 3.750 3.960 0.065 0.000 0.217 85 G HA3 -0.249 3.750 3.960 0.065 0.000 0.217 85 G C 1.448 176.325 174.900 -0.039 0.000 1.158 85 G CA 0.267 45.374 45.100 0.012 0.000 0.771 85 G HN 0.130 nan 8.290 nan 0.000 0.545 86 R N 0.242 120.668 120.500 -0.122 0.000 2.083 86 R HA 0.043 4.422 4.340 0.065 0.000 0.237 86 R C 2.667 178.837 176.300 -0.216 0.000 1.137 86 R CA 0.703 56.700 56.100 -0.171 0.000 0.951 86 R CB -1.165 28.978 30.300 -0.261 0.000 0.851 86 R HN 0.410 nan 8.270 nan 0.000 0.434 87 L N 0.444 121.455 121.223 -0.354 0.000 2.046 87 L HA -0.160 4.219 4.340 0.065 0.000 0.208 87 L C 2.527 179.306 176.870 -0.152 0.000 1.077 87 L CA 1.061 55.619 54.840 -0.471 0.000 0.747 87 L CB -0.482 41.012 42.059 -0.941 0.000 0.896 87 L HN 0.123 nan 8.230 nan 0.000 0.432 88 L N -0.408 120.862 121.223 0.079 0.000 2.056 88 L HA -0.201 4.178 4.340 0.065 0.000 0.207 88 L C 2.395 179.352 176.870 0.145 0.000 1.078 88 L CA 0.986 55.978 54.840 0.253 0.000 0.749 88 L CB -0.506 41.703 42.059 0.250 0.000 0.901 88 L HN 0.333 nan 8.230 nan 0.000 0.433 89 N N -0.423 118.316 118.700 0.065 0.000 2.188 89 N HA -0.161 4.618 4.740 0.065 0.000 0.184 89 N C 1.961 177.494 175.510 0.038 0.000 1.018 89 N CA 0.841 53.919 53.050 0.046 0.000 0.858 89 N CB -0.177 38.318 38.487 0.013 0.000 0.989 89 N HN 0.158 nan 8.380 nan 0.000 0.426 90 R N 0.888 121.393 120.500 0.009 0.000 2.075 90 R HA -0.049 4.329 4.340 0.065 0.000 0.232 90 R C 2.014 178.346 176.300 0.054 0.000 1.126 90 R CA 0.573 56.676 56.100 0.006 0.000 0.963 90 R CB -0.820 29.449 30.300 -0.051 0.000 0.858 90 R HN 0.209 nan 8.270 nan 0.000 0.435 91 L N 0.839 122.130 121.223 0.112 0.000 2.083 91 L HA -0.085 4.294 4.340 0.065 0.000 0.209 91 L C 2.186 179.119 176.870 0.104 0.000 1.083 91 L CA 2.141 57.074 54.840 0.155 0.000 0.752 91 L CB -0.709 41.515 42.059 0.275 0.000 0.899 91 L HN 0.150 nan 8.230 nan 0.000 0.433 92 A N -0.895 121.985 122.820 0.100 0.000 1.898 92 A HA -0.192 4.167 4.320 0.065 0.000 0.216 92 A C 1.985 179.608 177.584 0.065 0.000 1.181 92 A CA 1.751 53.838 52.037 0.083 0.000 0.620 92 A CB -0.760 18.291 19.000 0.085 0.000 0.819 92 A HN 0.512 nan 8.150 nan 0.000 0.442 93 D N 0.176 120.610 120.400 0.057 0.000 2.097 93 D HA -0.112 4.567 4.640 0.065 0.000 0.195 93 D C 1.962 178.294 176.300 0.052 0.000 0.989 93 D CA 1.036 55.065 54.000 0.048 0.000 0.827 93 D CB -0.379 40.443 40.800 0.037 0.000 0.966 93 D HN 0.443 nan 8.370 nan 0.000 0.456 94 L N 0.426 121.680 121.223 0.053 0.000 2.046 94 L HA -0.127 4.251 4.340 0.065 0.000 0.208 94 L C 2.518 179.434 176.870 0.076 0.000 1.077 94 L CA 0.733 55.605 54.840 0.054 0.000 0.747 94 L CB -0.292 41.789 42.059 0.037 0.000 0.896 94 L HN 0.027 nan 8.230 nan 0.000 0.432 95 I N -0.341 120.276 120.570 0.077 0.000 2.394 95 I HA -0.276 3.933 4.170 0.065 0.000 0.251 95 I C 2.550 178.720 176.117 0.088 0.000 1.136 95 I CA 1.229 62.586 61.300 0.096 0.000 1.425 95 I CB -0.164 37.882 38.000 0.077 0.000 1.079 95 I HN 0.336 nan 8.210 nan 0.000 0.425 96 E N 1.079 121.317 120.200 0.064 0.000 2.152 96 E HA -0.229 4.159 4.350 0.065 0.000 0.192 96 E C 2.357 179.002 176.600 0.076 0.000 0.983 96 E CA 0.561 56.991 56.400 0.049 0.000 0.818 96 E CB 0.077 29.800 29.700 0.039 0.000 0.758 96 E HN 0.275 nan 8.360 nan 0.000 0.467 97 R N 0.505 121.056 120.500 0.084 0.000 2.073 97 R HA -0.129 4.250 4.340 0.065 0.000 0.234 97 R C 0.426 176.801 176.300 0.125 0.000 1.134 97 R CA 1.855 58.010 56.100 0.091 0.000 0.952 97 R CB 0.025 30.369 30.300 0.073 0.000 0.850 97 R HN 0.106 nan 8.270 nan 0.000 0.433 98 D N -0.054 120.443 120.400 0.161 0.000 2.460 98 D HA 0.014 4.693 4.640 0.065 0.000 0.229 98 D C 1.111 177.571 176.300 0.267 0.000 1.170 98 D CA -0.022 54.117 54.000 0.232 0.000 0.827 98 D CB 0.168 41.166 40.800 0.330 0.000 0.973 98 D HN 0.261 nan 8.370 nan 0.000 0.496 99 R N 0.539 121.152 120.500 0.188 0.000 2.094 99 R HA -0.152 4.227 4.340 0.065 0.000 0.239 99 R C 1.449 177.896 176.300 0.244 0.000 1.137 99 R CA 1.739 57.913 56.100 0.124 0.000 0.943 99 R CB -0.141 30.146 30.300 -0.022 0.000 0.850 99 R HN 0.001 nan 8.270 nan 0.000 0.433 100 T N 0.093 114.885 114.554 0.396 0.000 2.720 100 T HA -0.216 4.173 4.350 0.065 0.000 0.268 100 T C 1.375 176.332 174.700 0.427 0.000 1.037 100 T CA 1.650 64.062 62.100 0.521 0.000 1.144 100 T CB -0.523 68.594 68.868 0.415 0.000 0.864 100 T HN 0.424 nan 8.240 nan 0.000 0.444 101 Y N 1.813 122.236 120.300 0.205 0.000 2.089 101 Y HA -0.069 4.520 4.550 0.064 0.000 0.282 101 Y C 2.078 178.059 175.900 0.136 0.000 1.139 101 Y CA 1.113 59.290 58.100 0.129 0.000 1.123 101 Y CB -0.684 37.797 38.460 0.035 0.000 0.980 101 Y HN 0.079 nan 8.280 nan 0.000 0.493 102 L N 0.097 121.382 121.223 0.104 0.000 2.081 102 L HA -0.289 4.090 4.340 0.065 0.000 0.212 102 L C 2.781 179.655 176.870 0.007 0.000 1.080 102 L CA 1.340 56.180 54.840 0.001 0.000 0.754 102 L CB -0.961 41.208 42.059 0.183 0.000 0.893 102 L HN 0.436 nan 8.230 nan 0.000 0.433 103 A N -0.314 122.580 122.820 0.125 0.000 1.902 103 A HA -0.158 4.201 4.320 0.065 0.000 0.217 103 A C 2.504 180.249 177.584 0.269 0.000 1.181 103 A CA 1.710 53.840 52.037 0.155 0.000 0.623 103 A CB -0.652 18.457 19.000 0.182 0.000 0.818 103 A HN 0.419 nan 8.150 nan 0.000 0.443 104 A N -0.591 122.449 122.820 0.366 0.000 1.873 104 A HA 0.016 4.375 4.320 0.065 0.000 0.215 104 A C 2.101 179.784 177.584 0.165 0.000 1.186 104 A CA 1.626 53.901 52.037 0.397 0.000 0.616 104 A CB -0.617 18.530 19.000 0.246 0.000 0.823 104 A HN 0.650 nan 8.150 nan 0.000 0.442 105 L N -0.040 121.116 121.223 -0.110 0.000 2.083 105 L HA -0.136 4.243 4.340 0.065 0.000 0.209 105 L C 2.202 179.036 176.870 -0.060 0.000 1.083 105 L CA 2.658 57.391 54.840 -0.178 0.000 0.752 105 L CB -0.587 41.207 42.059 -0.441 0.000 0.899 105 L HN 0.506 nan 8.230 nan 0.000 0.433 106 E N -1.007 119.172 120.200 -0.035 0.000 2.051 106 E HA -0.182 4.206 4.350 0.065 0.000 0.192 106 E C 2.046 178.617 176.600 -0.049 0.000 0.991 106 E CA 2.041 58.427 56.400 -0.024 0.000 0.799 106 E CB -0.398 29.295 29.700 -0.012 0.000 0.748 106 E HN 0.477 nan 8.360 nan 0.000 0.449 107 T N 0.851 115.368 114.554 -0.063 0.000 2.746 107 T HA -0.134 4.255 4.350 0.065 0.000 0.267 107 T C 1.727 176.315 174.700 -0.187 0.000 1.039 107 T CA 1.163 63.141 62.100 -0.203 0.000 1.142 107 T CB -0.379 68.236 68.868 -0.422 0.000 0.866 107 T HN 0.127 nan 8.240 nan 0.000 0.444 108 L N 1.350 122.560 121.223 -0.022 0.000 2.012 108 L HA -0.107 4.272 4.340 0.065 0.000 0.210 108 L C 2.038 178.913 176.870 0.008 0.000 1.073 108 L CA 1.945 56.835 54.840 0.085 0.000 0.748 108 L CB -0.443 41.705 42.059 0.148 0.000 0.891 108 L HN 0.088 nan 8.230 nan 0.000 0.431 109 D N -1.697 118.696 120.400 -0.012 0.000 2.240 109 D HA -0.135 4.543 4.640 0.065 0.000 0.206 109 D C 1.885 178.168 176.300 -0.029 0.000 0.963 109 D CA 0.701 54.694 54.000 -0.012 0.000 0.863 109 D CB 0.016 40.818 40.800 0.003 0.000 0.973 109 D HN 0.448 nan 8.370 nan 0.000 0.501 110 N N -0.598 118.071 118.700 -0.051 0.000 2.368 110 N HA -0.030 4.749 4.740 0.065 0.000 0.178 110 N C 1.368 176.805 175.510 -0.122 0.000 1.021 110 N CA 1.670 54.678 53.050 -0.070 0.000 0.875 110 N CB 0.786 39.231 38.487 -0.070 0.000 1.020 110 N HN 0.252 nan 8.380 nan 0.000 0.433 111 G N 1.416 110.128 108.800 -0.148 0.000 2.218 111 G HA2 -0.246 3.753 3.960 0.065 0.000 0.216 111 G HA3 -0.246 3.753 3.960 0.065 0.000 0.216 111 G C -0.053 174.727 174.900 -0.200 0.000 0.994 111 G CA 0.359 45.347 45.100 -0.186 0.000 0.637 111 G HN 0.682 nan 8.290 nan 0.000 0.505 112 K N 1.096 121.378 120.400 -0.196 0.000 2.319 112 K HA 0.465 4.824 4.320 0.065 0.000 0.265 112 K C -2.646 173.859 176.600 -0.158 0.000 1.000 112 K CA -1.225 54.950 56.287 -0.188 0.000 0.943 112 K CB 0.511 32.877 32.500 -0.224 0.000 0.950 112 K HN 0.064 nan 8.250 nan 0.000 0.485 113 P HA -0.124 nan 4.420 nan 0.000 0.262 113 P C -0.294 176.989 177.300 -0.029 0.000 1.182 113 P CA 0.038 63.109 63.100 -0.048 0.000 0.761 113 P CB 0.114 31.826 31.700 0.020 0.000 0.795 114 Y N 4.867 125.074 120.300 -0.156 0.000 2.151 114 Y HA -0.273 4.316 4.550 0.065 0.000 0.284 114 Y C 1.803 177.743 175.900 0.066 0.000 1.166 114 Y CA 1.794 59.856 58.100 -0.064 0.000 1.163 114 Y CB -0.859 37.601 38.460 0.000 0.000 0.974 114 Y HN 0.087 nan 8.280 nan 0.000 0.511 115 V N 0.519 120.429 119.914 -0.007 0.000 2.332 115 V HA -0.344 3.815 4.120 0.065 0.000 0.248 115 V C 2.374 178.450 176.094 -0.030 0.000 1.055 115 V CA 1.928 64.197 62.300 -0.052 0.000 1.038 115 V CB -0.674 31.192 31.823 0.071 0.000 0.651 115 V HN 0.454 nan 8.190 nan 0.000 0.450 116 I N -0.292 120.292 120.570 0.023 0.000 2.353 116 I HA -0.142 4.066 4.170 0.065 0.000 0.248 116 I C 2.656 178.800 176.117 0.044 0.000 1.119 116 I CA 1.566 62.920 61.300 0.089 0.000 1.417 116 I CB -1.354 36.737 38.000 0.151 0.000 1.078 116 I HN 0.328 nan 8.210 nan 0.000 0.421 117 S N 0.021 115.697 115.700 -0.040 0.000 2.370 117 S HA -0.244 4.265 4.470 0.065 0.000 0.226 117 S C 2.151 176.703 174.600 -0.080 0.000 1.033 117 S CA 1.447 59.613 58.200 -0.058 0.000 1.011 117 S CB -0.295 62.858 63.200 -0.078 0.000 0.852 117 S HN 0.475 nan 8.310 nan 0.000 0.457 118 Y N 1.159 121.272 120.300 -0.311 0.000 2.176 118 Y HA 0.185 4.774 4.550 0.066 0.000 0.291 118 Y C 1.931 177.763 175.900 -0.113 0.000 1.122 118 Y CA 1.436 59.374 58.100 -0.270 0.000 1.128 118 Y CB -0.150 38.005 38.460 -0.508 0.000 1.005 118 Y HN 0.175 nan 8.280 nan 0.000 0.509 119 L N -1.182 120.117 121.223 0.126 0.000 2.313 119 L HA -0.078 4.301 4.340 0.065 0.000 0.214 119 L C 1.575 178.475 176.870 0.050 0.000 1.119 119 L CA 0.343 55.245 54.840 0.105 0.000 0.809 119 L CB -0.150 41.991 42.059 0.136 0.000 0.933 119 L HN 0.186 nan 8.230 nan 0.000 0.449 120 V N -1.096 118.858 119.914 0.066 0.000 2.784 120 V HA -0.048 4.111 4.120 0.065 0.000 0.231 120 V C 1.620 177.755 176.094 0.068 0.000 1.128 120 V CA 0.801 63.163 62.300 0.103 0.000 1.178 120 V CB -0.174 31.785 31.823 0.227 0.000 0.943 120 V HN 0.161 nan 8.190 nan 0.000 0.500 121 D N 0.776 121.222 120.400 0.078 0.000 2.137 121 D HA -0.222 4.457 4.640 0.065 0.000 0.189 121 D C 1.922 178.205 176.300 -0.028 0.000 0.998 121 D CA 1.734 55.754 54.000 0.034 0.000 0.839 121 D CB -0.317 40.514 40.800 0.051 0.000 0.962 121 D HN 0.179 nan 8.370 nan 0.000 0.446 122 L N 0.212 121.396 121.223 -0.065 0.000 2.131 122 L HA -0.121 4.258 4.340 0.065 0.000 0.210 122 L C 1.823 178.643 176.870 -0.084 0.000 1.092 122 L CA 1.369 56.154 54.840 -0.093 0.000 0.759 122 L CB -0.420 41.539 42.059 -0.168 0.000 0.903 122 L HN 0.031 nan 8.230 nan 0.000 0.435 123 D N -0.807 119.541 120.400 -0.087 0.000 2.117 123 D HA -0.213 4.466 4.640 0.065 0.000 0.197 123 D C 2.225 178.528 176.300 0.005 0.000 0.987 123 D CA 1.363 55.335 54.000 -0.046 0.000 0.829 123 D CB 0.080 40.864 40.800 -0.026 0.000 0.961 123 D HN 0.184 nan 8.370 nan 0.000 0.460 124 M N -0.330 119.279 119.600 0.015 0.000 2.254 124 M HA -0.081 4.438 4.480 0.065 0.000 0.265 124 M C 2.172 178.511 176.300 0.064 0.000 1.066 124 M CA 0.537 55.867 55.300 0.051 0.000 1.123 124 M CB -0.071 32.550 32.600 0.034 0.000 1.388 124 M HN 0.022 nan 8.290 nan 0.000 0.425 125 V N 1.157 121.080 119.914 0.014 0.000 2.295 125 V HA -0.257 3.902 4.120 0.065 0.000 0.246 125 V C 2.389 178.532 176.094 0.082 0.000 1.049 125 V CA 1.601 63.920 62.300 0.032 0.000 1.024 125 V CB -0.638 31.185 31.823 -0.000 0.000 0.648 125 V HN 0.431 nan 8.190 nan 0.000 0.447 126 L N -0.563 120.694 121.223 0.056 0.000 2.017 126 L HA -0.194 4.185 4.340 0.065 0.000 0.208 126 L C 2.600 179.529 176.870 0.099 0.000 1.073 126 L CA 1.738 56.619 54.840 0.067 0.000 0.745 126 L CB -0.662 41.417 42.059 0.033 0.000 0.894 126 L HN 0.263 nan 8.230 nan 0.000 0.432 127 K N -0.802 119.656 120.400 0.096 0.000 2.147 127 K HA -0.197 4.162 4.320 0.065 0.000 0.205 127 K C 2.281 178.985 176.600 0.174 0.000 1.049 127 K CA 1.499 57.853 56.287 0.113 0.000 0.936 127 K CB -0.388 32.163 32.500 0.086 0.000 0.722 127 K HN 0.426 nan 8.250 nan 0.000 0.446 128 C N 1.091 120.524 119.300 0.221 0.000 2.489 128 C HA -0.010 4.489 4.460 0.065 0.000 0.279 128 C C 2.456 177.690 174.990 0.405 0.000 1.266 128 C CA 0.385 59.609 59.018 0.344 0.000 1.707 128 C CB -0.891 27.122 27.740 0.456 0.000 2.059 128 C HN 0.383 nan 8.230 nan 0.000 0.481 129 L N 0.507 121.910 121.223 0.301 0.000 2.046 129 L HA -0.123 4.256 4.340 0.065 0.000 0.208 129 L C 3.002 180.016 176.870 0.240 0.000 1.077 129 L CA 1.757 56.763 54.840 0.276 0.000 0.747 129 L CB -0.689 41.483 42.059 0.188 0.000 0.896 129 L HN 0.353 nan 8.230 nan 0.000 0.432 130 R N -1.462 119.148 120.500 0.184 0.000 2.148 130 R HA -0.172 4.207 4.340 0.065 0.000 0.223 130 R C 2.208 178.574 176.300 0.109 0.000 1.088 130 R CA 1.137 57.313 56.100 0.126 0.000 0.985 130 R CB -0.310 30.046 30.300 0.094 0.000 0.880 130 R HN 0.301 nan 8.270 nan 0.000 0.451 131 Y N 0.034 120.339 120.300 0.009 0.000 2.184 131 Y HA -0.205 4.381 4.550 0.060 0.000 0.290 131 Y C 1.588 177.414 175.900 -0.125 0.000 1.129 131 Y CA 1.313 59.346 58.100 -0.113 0.000 1.144 131 Y CB -0.360 37.988 38.460 -0.186 0.000 0.995 131 Y HN -0.039 nan 8.280 nan 0.000 0.513 132 Y N -0.216 120.181 120.300 0.161 0.000 2.352 132 Y HA -0.139 4.449 4.550 0.062 0.000 0.292 132 Y C 2.617 178.559 175.900 0.069 0.000 1.136 132 Y CA 0.869 59.049 58.100 0.133 0.000 1.227 132 Y CB -0.539 38.045 38.460 0.206 0.000 0.991 132 Y HN 0.269 nan 8.280 nan 0.000 0.545 133 A N 0.122 123.043 122.820 0.168 0.000 1.908 133 A HA -0.181 4.178 4.320 0.065 0.000 0.218 133 A C 2.497 180.085 177.584 0.006 0.000 1.181 133 A CA 1.843 53.941 52.037 0.101 0.000 0.627 133 A CB -1.429 17.615 19.000 0.073 0.000 0.818 133 A HN 0.470 nan 8.150 nan 0.000 0.445 134 G N -2.626 106.102 108.800 -0.120 0.000 2.484 134 G HA2 -0.175 3.824 3.960 0.065 0.000 0.218 134 G HA3 -0.175 3.824 3.960 0.065 0.000 0.218 134 G C 1.318 176.046 174.900 -0.286 0.000 1.130 134 G CA 0.619 45.573 45.100 -0.243 0.000 0.784 134 G HN 0.679 nan 8.290 nan 0.000 0.543 135 W N 0.544 121.728 121.300 -0.193 0.000 2.658 135 W HA 0.279 4.954 4.660 0.026 0.000 0.263 135 W C 2.754 179.242 176.519 -0.053 0.000 1.274 135 W CA 0.250 57.507 57.345 -0.148 0.000 1.343 135 W CB 0.289 29.662 29.460 -0.144 0.000 1.106 135 W HN 0.239 nan 8.180 nan 0.000 0.615 136 A N 1.202 124.147 122.820 0.208 0.000 1.954 136 A HA -0.313 4.046 4.320 0.065 0.000 0.222 136 A C 1.274 178.917 177.584 0.099 0.000 1.199 136 A CA 2.553 54.674 52.037 0.140 0.000 0.657 136 A CB -0.872 18.180 19.000 0.086 0.000 0.823 136 A HN 0.394 nan 8.150 nan 0.000 0.463 137 D N -2.653 117.786 120.400 0.064 0.000 2.623 137 D HA 0.228 4.907 4.640 0.065 0.000 0.252 137 D C 0.443 176.726 176.300 -0.027 0.000 1.294 137 D CA -0.081 53.931 54.000 0.020 0.000 0.824 137 D CB -0.039 40.763 40.800 0.003 0.000 1.070 137 D HN 0.461 nan 8.370 nan 0.000 0.487 138 K N -0.509 119.910 120.400 0.032 0.000 2.483 138 K HA 0.069 4.428 4.320 0.065 0.000 0.206 138 K C -0.547 176.008 176.600 -0.075 0.000 1.086 138 K CA -0.517 55.711 56.287 -0.098 0.000 1.052 138 K CB 0.829 33.317 32.500 -0.019 0.000 0.904 138 K HN -0.025 nan 8.250 nan 0.000 0.557 139 Y N 2.768 123.012 120.300 -0.093 0.000 2.691 139 Y HA 0.164 4.746 4.550 0.055 0.000 0.338 139 Y C -0.432 175.348 175.900 -0.199 0.000 1.148 139 Y CA -1.446 56.611 58.100 -0.072 0.000 1.430 139 Y CB -0.814 37.646 38.460 -0.001 0.000 1.303 139 Y HN 0.091 nan 8.280 nan 0.000 0.499 140 H N 1.237 120.214 119.070 -0.155 0.000 2.690 140 H HA 0.465 5.052 4.556 0.052 0.000 0.365 140 H C 0.866 175.750 175.328 -0.740 0.000 1.142 140 H CA 0.359 56.218 56.048 -0.314 0.000 1.417 140 H CB 0.801 30.479 29.762 -0.141 0.000 1.446 140 H HN 0.716 nan 8.280 nan 0.000 0.599 141 G N 0.352 108.882 108.800 -0.449 0.000 2.583 141 G HA2 0.495 4.494 3.960 0.065 0.000 0.280 141 G HA3 0.495 4.494 3.960 0.065 0.000 0.280 141 G C -0.787 174.003 174.900 -0.182 0.000 1.376 141 G CA -0.890 43.890 45.100 -0.534 0.000 1.043 141 G HN 0.527 nan 8.290 nan 0.000 0.538 142 K N -0.780 119.584 120.400 -0.060 0.000 2.395 142 K HA 0.549 4.908 4.320 0.065 0.000 0.247 142 K C -0.974 175.664 176.600 0.064 0.000 0.973 142 K CA -0.702 55.586 56.287 0.001 0.000 0.828 142 K CB 2.169 34.676 32.500 0.012 0.000 1.272 142 K HN 0.602 nan 8.250 nan 0.000 0.439 143 T N -0.858 113.746 114.554 0.084 0.000 2.770 143 T HA 0.565 4.954 4.350 0.065 0.000 0.283 143 T C -0.057 174.714 174.700 0.118 0.000 0.988 143 T CA -0.731 61.464 62.100 0.157 0.000 0.957 143 T CB -0.025 68.993 68.868 0.250 0.000 0.930 143 T HN 0.367 nan 8.240 nan 0.000 0.443 144 I N 5.389 126.016 120.570 0.095 0.000 2.354 144 I HA 0.334 4.543 4.170 0.065 0.000 0.292 144 I C -1.760 174.416 176.117 0.099 0.000 0.989 144 I CA -2.778 58.565 61.300 0.071 0.000 1.188 144 I CB 2.127 40.142 38.000 0.025 0.000 1.342 144 I HN 0.478 nan 8.210 nan 0.000 0.457 145 P HA 0.119 nan 4.420 nan 0.000 0.231 145 P C 0.066 177.416 177.300 0.083 0.000 1.756 145 P CA 0.117 63.273 63.100 0.093 0.000 0.990 145 P CB 0.030 31.772 31.700 0.069 0.000 1.973 146 I N 0.886 121.513 120.570 0.094 0.000 2.836 146 I HA 0.029 4.238 4.170 0.065 0.000 0.285 146 I C 0.292 176.480 176.117 0.118 0.000 1.174 146 I CA -0.027 61.321 61.300 0.078 0.000 1.405 146 I CB 0.628 38.661 38.000 0.054 0.000 1.385 146 I HN 0.013 nan 8.210 nan 0.000 0.594 147 D N 4.607 125.064 120.400 0.096 0.000 2.382 147 D HA 0.438 5.117 4.640 0.065 0.000 0.240 147 D C 0.343 176.792 176.300 0.247 0.000 1.146 147 D CA 1.152 55.225 54.000 0.122 0.000 0.897 147 D CB 0.882 41.729 40.800 0.079 0.000 1.197 147 D HN 0.951 nan 8.370 nan 0.000 0.432 148 G N 1.350 110.288 108.800 0.230 0.000 2.796 148 G HA2 -0.186 3.813 3.960 0.065 0.000 0.571 148 G HA3 -0.186 3.813 3.960 0.065 0.000 0.571 148 G C -0.808 174.173 174.900 0.135 0.000 1.370 148 G CA -0.746 44.534 45.100 0.300 0.000 0.856 148 G HN 0.506 nan 8.290 nan 0.000 0.538 149 D N 0.930 121.156 120.400 -0.289 0.000 2.608 149 D HA 0.487 5.165 4.640 0.065 0.000 0.224 149 D C -0.095 175.680 176.300 -0.874 0.000 1.123 149 D CA 0.943 54.677 54.000 -0.444 0.000 1.030 149 D CB -0.422 40.158 40.800 -0.367 0.000 1.093 149 D HN 0.271 nan 8.370 nan 0.000 0.497 150 F N 0.453 120.452 119.950 0.081 0.000 2.626 150 F HA 0.413 4.978 4.527 0.063 0.000 0.311 150 F C -0.473 175.448 175.800 0.202 0.000 1.088 150 F CA -1.427 56.639 58.000 0.111 0.000 0.949 150 F CB 1.715 40.753 39.000 0.063 0.000 1.322 150 F HN -0.131 nan 8.300 nan 0.000 0.461 151 F N 1.965 122.051 119.950 0.227 0.000 2.427 151 F HA 0.686 5.249 4.527 0.060 0.000 0.348 151 F C -0.672 175.256 175.800 0.213 0.000 1.125 151 F CA -1.092 57.019 58.000 0.186 0.000 0.989 151 F CB 1.263 40.361 39.000 0.162 0.000 1.165 151 F HN 0.276 nan 8.300 nan 0.000 0.442 152 S N 6.421 122.072 115.700 -0.081 0.000 2.513 152 S HA 0.835 5.344 4.470 0.065 0.000 0.299 152 S C -1.474 172.940 174.600 -0.311 0.000 1.087 152 S CA -0.276 57.763 58.200 -0.267 0.000 1.012 152 S CB 0.810 63.953 63.200 -0.096 0.000 1.044 152 S HN 0.693 nan 8.310 nan 0.000 0.485 153 Y N -0.185 119.861 120.300 -0.423 0.000 2.638 153 Y HA 0.764 5.349 4.550 0.059 0.000 0.335 153 Y C -0.610 175.190 175.900 -0.166 0.000 1.155 153 Y CA -1.101 56.822 58.100 -0.295 0.000 1.046 153 Y CB 0.781 39.010 38.460 -0.385 0.000 1.303 153 Y HN 0.549 nan 8.280 nan 0.000 0.460 154 T N -0.341 114.248 114.554 0.058 0.000 2.887 154 T HA 0.777 5.166 4.350 0.065 0.000 0.288 154 T C -0.889 173.885 174.700 0.124 0.000 1.021 154 T CA -1.084 61.035 62.100 0.030 0.000 1.000 154 T CB 2.061 70.964 68.868 0.060 0.000 1.034 154 T HN 0.810 nan 8.240 nan 0.000 0.467 155 R N 0.603 121.178 120.500 0.125 0.000 2.599 155 R HA 0.373 4.751 4.340 0.065 0.000 0.295 155 R C -0.609 175.826 176.300 0.225 0.000 0.963 155 R CA -0.743 55.440 56.100 0.138 0.000 0.883 155 R CB 1.442 31.817 30.300 0.126 0.000 1.171 155 R HN 0.735 nan 8.270 nan 0.000 0.450 156 H N 2.244 121.311 119.070 -0.005 0.000 2.741 156 H HA 0.147 4.737 4.556 0.057 0.000 0.282 156 H C -0.405 174.965 175.328 0.070 0.000 1.122 156 H CA -0.383 55.668 56.048 0.006 0.000 1.293 156 H CB 1.085 30.794 29.762 -0.088 0.000 1.415 156 H HN 0.364 nan 8.280 nan 0.000 0.472 157 E N 4.395 124.700 120.200 0.176 0.000 2.248 157 E HA 0.232 4.621 4.350 0.065 0.000 0.272 157 E C -2.448 174.270 176.600 0.197 0.000 1.008 157 E CA -2.270 54.227 56.400 0.161 0.000 0.856 157 E CB 1.264 31.043 29.700 0.132 0.000 1.120 157 E HN 0.384 nan 8.360 nan 0.000 0.397 158 P HA -0.068 nan 4.420 nan 0.000 0.269 158 P C 0.584 178.043 177.300 0.265 0.000 1.215 158 P CA -0.004 63.284 63.100 0.314 0.000 0.780 158 P CB 0.674 32.680 31.700 0.510 0.000 0.898 159 V N 1.382 121.391 119.914 0.158 0.000 2.548 159 V HA 0.062 4.221 4.120 0.065 0.000 0.249 159 V C 1.199 177.242 176.094 -0.084 0.000 1.055 159 V CA 2.691 65.022 62.300 0.051 0.000 1.065 159 V CB -1.017 30.815 31.823 0.016 0.000 0.681 159 V HN 1.010 nan 8.190 nan 0.000 0.462 160 G N -1.049 107.564 108.800 -0.311 0.000 2.253 160 G HA2 -0.129 3.870 3.960 0.065 0.000 0.190 160 G HA3 -0.129 3.870 3.960 0.065 0.000 0.190 160 G C -0.539 173.942 174.900 -0.698 0.000 1.274 160 G CA -0.202 44.312 45.100 -0.976 0.000 1.275 160 G HN 0.327 nan 8.290 nan 0.000 0.518 161 V N 1.293 120.931 119.914 -0.460 0.000 2.389 161 V HA 0.415 4.574 4.120 0.065 0.000 0.264 161 V C 0.391 176.405 176.094 -0.133 0.000 1.049 161 V CA -0.251 61.899 62.300 -0.250 0.000 0.932 161 V CB 0.225 31.929 31.823 -0.199 0.000 1.011 161 V HN 0.810 nan 8.190 nan 0.000 0.475 162 C N 4.688 123.952 119.300 -0.061 0.000 2.295 162 C HA 0.695 5.194 4.460 0.065 0.000 0.331 162 C C 1.085 176.087 174.990 0.020 0.000 1.280 162 C CA -0.927 58.104 59.018 0.020 0.000 1.746 162 C CB 0.329 28.171 27.740 0.170 0.000 2.328 162 C HN 0.980 nan 8.230 nan 0.000 0.521 163 G N 2.927 111.739 108.800 0.019 0.000 2.325 163 G HA2 0.515 4.513 3.960 0.065 0.000 0.298 163 G HA3 0.515 4.513 3.960 0.065 0.000 0.298 163 G C -0.768 174.173 174.900 0.069 0.000 1.134 163 G CA -0.157 44.962 45.100 0.031 0.000 0.876 163 G HN 0.817 nan 8.290 nan 0.000 0.452 164 Q N 1.877 121.720 119.800 0.070 0.000 2.339 164 Q HA 0.398 4.777 4.340 0.065 0.000 0.268 164 Q C -0.770 175.280 176.000 0.084 0.000 1.027 164 Q CA -0.394 55.461 55.803 0.086 0.000 0.759 164 Q CB 2.567 31.351 28.738 0.077 0.000 1.244 164 Q HN 0.523 nan 8.270 nan 0.000 0.464 165 I N 4.946 125.582 120.570 0.109 0.000 2.355 165 I HA 0.430 4.639 4.170 0.065 0.000 0.288 165 I C -0.035 176.090 176.117 0.012 0.000 0.999 165 I CA -0.747 60.624 61.300 0.119 0.000 1.163 165 I CB 0.808 38.969 38.000 0.269 0.000 1.316 165 I HN 0.521 nan 8.210 nan 0.000 0.454 166 I N 5.485 126.051 120.570 -0.006 0.000 2.750 166 I HA 0.740 4.948 4.170 0.065 0.000 0.308 166 I C -2.573 173.491 176.117 -0.087 0.000 1.016 166 I CA -2.225 59.032 61.300 -0.072 0.000 1.098 166 I CB 1.987 39.972 38.000 -0.025 0.000 1.279 166 I HN 0.232 nan 8.210 nan 0.000 0.454 167 P HA 0.144 nan 4.420 nan 0.000 0.302 167 P C -0.223 176.986 177.300 -0.151 0.000 1.307 167 P CA -0.116 62.822 63.100 -0.269 0.000 0.754 167 P CB 0.628 32.067 31.700 -0.434 0.000 1.298 168 W N -0.130 121.186 121.300 0.026 0.000 3.103 168 W HA 0.080 4.780 4.660 0.067 0.000 0.325 168 W C 0.991 177.471 176.519 -0.064 0.000 1.170 168 W CA 0.054 57.396 57.345 -0.004 0.000 1.712 168 W CB -1.385 28.076 29.460 0.002 0.000 1.068 168 W HN 0.193 nan 8.180 nan 0.000 0.592 169 N N 2.194 120.768 118.700 -0.210 0.000 2.223 169 N HA -0.191 4.588 4.740 0.065 0.000 0.185 169 N C -0.157 174.991 175.510 -0.603 0.000 1.016 169 N CA 0.962 53.835 53.050 -0.295 0.000 0.863 169 N CB -1.054 37.152 38.487 -0.468 0.000 0.983 169 N HN 0.126 nan 8.380 nan 0.000 0.429 170 F N -0.533 119.328 119.950 -0.148 0.000 2.794 170 F HA 0.410 4.977 4.527 0.067 0.000 0.353 170 F C -1.882 173.818 175.800 -0.166 0.000 1.371 170 F CA -1.955 55.931 58.000 -0.191 0.000 1.173 170 F CB 2.091 40.900 39.000 -0.319 0.000 1.693 170 F HN -0.204 nan 8.300 nan 0.000 0.606 171 P HA -0.229 nan 4.420 nan 0.000 0.216 171 P C 1.942 179.244 177.300 0.003 0.000 1.167 171 P CA 1.774 64.894 63.100 0.034 0.000 0.914 171 P CB 0.426 32.156 31.700 0.049 0.000 0.793 172 L N -2.025 119.197 121.223 -0.002 0.000 2.005 172 L HA -0.164 4.215 4.340 0.065 0.000 0.207 172 L C 2.459 179.271 176.870 -0.096 0.000 1.072 172 L CA 1.041 55.867 54.840 -0.023 0.000 0.744 172 L CB -1.028 41.029 42.059 -0.004 0.000 0.895 172 L HN -0.018 nan 8.230 nan 0.000 0.433 173 L N -0.725 120.390 121.223 -0.180 0.000 2.042 173 L HA -0.236 4.143 4.340 0.065 0.000 0.210 173 L C 2.518 179.050 176.870 -0.564 0.000 1.076 173 L CA 1.819 56.388 54.840 -0.452 0.000 0.749 173 L CB -0.442 41.202 42.059 -0.692 0.000 0.893 173 L HN 0.185 nan 8.230 nan 0.000 0.432 174 M N -1.049 118.330 119.600 -0.369 0.000 2.117 174 M HA -0.252 4.267 4.480 0.065 0.000 0.262 174 M C 2.281 178.552 176.300 -0.049 0.000 1.065 174 M CA 1.678 56.861 55.300 -0.195 0.000 1.114 174 M CB -1.141 31.402 32.600 -0.094 0.000 1.361 174 M HN 0.500 nan 8.290 nan 0.000 0.408 175 Q N -0.209 119.559 119.800 -0.052 0.000 2.050 175 Q HA -0.151 4.228 4.340 0.065 0.000 0.202 175 Q C 2.031 178.032 176.000 0.003 0.000 0.980 175 Q CA 2.093 57.886 55.803 -0.017 0.000 0.840 175 Q CB -0.035 28.691 28.738 -0.020 0.000 0.898 175 Q HN 0.493 nan 8.270 nan 0.000 0.424 176 A N 0.044 122.865 122.820 0.001 0.000 1.902 176 A HA -0.190 4.169 4.320 0.065 0.000 0.217 176 A C 1.580 179.289 177.584 0.209 0.000 1.181 176 A CA 1.313 53.396 52.037 0.077 0.000 0.623 176 A CB -1.172 17.874 19.000 0.076 0.000 0.818 176 A HN 0.640 nan 8.150 nan 0.000 0.443 177 W N 0.305 121.605 121.300 -0.000 0.000 2.387 177 W HA -0.048 4.655 4.660 0.072 0.000 0.272 177 W C 2.015 178.498 176.519 -0.059 0.000 1.224 177 W CA 1.283 58.633 57.345 0.008 0.000 1.210 177 W CB -0.205 29.257 29.460 0.003 0.000 1.125 177 W HN 0.259 nan 8.180 nan 0.000 0.572 178 K N -0.503 119.983 120.400 0.144 0.000 2.141 178 K HA 0.113 4.472 4.320 0.065 0.000 0.202 178 K C 2.084 178.599 176.600 -0.142 0.000 1.045 178 K CA 0.528 56.831 56.287 0.026 0.000 0.971 178 K CB -0.913 31.624 32.500 0.062 0.000 0.795 178 K HN 0.182 nan 8.250 nan 0.000 0.459 179 L N 0.545 121.704 121.223 -0.105 0.000 2.093 179 L HA -0.093 4.286 4.340 0.065 0.000 0.208 179 L C 2.393 179.149 176.870 -0.191 0.000 1.085 179 L CA 1.277 56.021 54.840 -0.160 0.000 0.755 179 L CB -0.969 41.011 42.059 -0.133 0.000 0.904 179 L HN 0.265 nan 8.230 nan 0.000 0.435 180 G N 1.372 110.070 108.800 -0.170 0.000 2.639 180 G HA2 -0.238 3.761 3.960 0.065 0.000 0.216 180 G HA3 -0.238 3.761 3.960 0.065 0.000 0.216 180 G C -0.515 174.036 174.900 -0.583 0.000 1.267 180 G CA 1.085 46.051 45.100 -0.224 0.000 0.801 180 G HN 0.300 nan 8.290 nan 0.000 0.592 181 P HA -0.036 nan 4.420 nan 0.000 0.217 181 P C 2.026 178.926 177.300 -0.667 0.000 1.150 181 P CA 2.080 64.639 63.100 -0.900 0.000 0.832 181 P CB -0.179 31.048 31.700 -0.787 0.000 0.787 182 A N 0.366 122.630 122.820 -0.927 0.000 1.877 182 A HA -0.129 4.229 4.320 0.065 0.000 0.216 182 A C 2.462 179.938 177.584 -0.180 0.000 1.186 182 A CA 1.485 53.035 52.037 -0.812 0.000 0.620 182 A CB -1.570 17.000 19.000 -0.716 0.000 0.822 182 A HN 0.136 nan 8.150 nan 0.000 0.443 183 L N -1.064 120.121 121.223 -0.063 0.000 2.131 183 L HA -0.079 4.299 4.340 0.065 0.000 0.206 183 L C 3.055 180.100 176.870 0.293 0.000 1.087 183 L CA 0.781 55.780 54.840 0.265 0.000 0.767 183 L CB -0.551 41.653 42.059 0.243 0.000 0.917 183 L HN 0.422 nan 8.230 nan 0.000 0.441 184 A N 0.384 123.287 122.820 0.138 0.000 1.940 184 A HA -0.212 4.146 4.320 0.065 0.000 0.219 184 A C 2.288 179.938 177.584 0.109 0.000 1.176 184 A CA 2.273 54.402 52.037 0.153 0.000 0.631 184 A CB -0.892 18.225 19.000 0.195 0.000 0.814 184 A HN 0.510 nan 8.150 nan 0.000 0.446 185 T N -4.382 110.221 114.554 0.081 0.000 3.129 185 T HA 0.405 4.794 4.350 0.065 0.000 0.251 185 T C 1.269 176.050 174.700 0.135 0.000 1.117 185 T CA 1.016 63.182 62.100 0.110 0.000 1.034 185 T CB 0.018 68.957 68.868 0.117 0.000 0.968 185 T HN 1.734 nan 8.240 nan 0.000 0.526 186 G N 1.464 110.352 108.800 0.146 0.000 2.132 186 G HA2 -0.228 3.771 3.960 0.065 0.000 0.234 186 G HA3 -0.228 3.771 3.960 0.065 0.000 0.234 186 G C -0.072 175.171 174.900 0.572 0.000 0.989 186 G CA -0.234 44.938 45.100 0.120 0.000 0.676 186 G HN 0.599 nan 8.290 nan 0.000 0.522 187 N N -0.565 118.452 118.700 0.529 0.000 2.413 187 N HA 0.598 5.377 4.740 0.065 0.000 0.266 187 N C 0.493 176.272 175.510 0.447 0.000 1.238 187 N CA 0.409 53.726 53.050 0.445 0.000 0.972 187 N CB 1.909 40.527 38.487 0.218 0.000 1.210 187 N HN 0.706 nan 8.380 nan 0.000 0.547 188 V N -2.013 118.003 119.914 0.169 0.000 2.769 188 V HA 0.737 4.896 4.120 0.065 0.000 0.312 188 V C -0.155 175.911 176.094 -0.048 0.000 1.058 188 V CA -0.683 61.625 62.300 0.014 0.000 0.952 188 V CB 1.621 33.456 31.823 0.019 0.000 1.019 188 V HN 0.258 nan 8.190 nan 0.000 0.445 189 V N 2.874 122.735 119.914 -0.088 0.000 2.823 189 V HA 0.625 4.784 4.120 0.065 0.000 0.312 189 V C -0.526 175.533 176.094 -0.058 0.000 1.072 189 V CA -0.558 61.704 62.300 -0.064 0.000 0.937 189 V CB 2.171 33.947 31.823 -0.078 0.000 1.013 189 V HN 0.808 nan 8.190 nan 0.000 0.430 190 V N 4.912 124.806 119.914 -0.034 0.000 2.357 190 V HA 0.445 4.604 4.120 0.065 0.000 0.281 190 V C -0.234 175.866 176.094 0.009 0.000 1.015 190 V CA -0.206 62.082 62.300 -0.019 0.000 0.827 190 V CB 1.338 33.137 31.823 -0.040 0.000 1.018 190 V HN 0.901 nan 8.190 nan 0.000 0.432 191 M N 4.797 124.409 119.600 0.020 0.000 2.300 191 M HA 0.579 5.098 4.480 0.065 0.000 0.348 191 M C -0.609 175.726 176.300 0.058 0.000 1.151 191 M CA -0.469 54.852 55.300 0.035 0.000 1.046 191 M CB 1.304 33.913 32.600 0.016 0.000 1.647 191 M HN 0.362 nan 8.290 nan 0.000 0.451 192 K N 5.372 125.813 120.400 0.068 0.000 2.449 192 K HA 0.380 4.739 4.320 0.065 0.000 0.257 192 K C -1.272 175.375 176.600 0.079 0.000 0.989 192 K CA -0.384 55.951 56.287 0.081 0.000 0.916 192 K CB 0.854 33.407 32.500 0.089 0.000 1.136 192 K HN 0.692 nan 8.250 nan 0.000 0.439 193 V N 0.934 120.899 119.914 0.085 0.000 2.904 193 V HA 0.588 4.747 4.120 0.065 0.000 0.305 193 V C 0.595 176.747 176.094 0.096 0.000 1.067 193 V CA -1.203 61.149 62.300 0.087 0.000 1.044 193 V CB 0.973 32.855 31.823 0.099 0.000 1.050 193 V HN 0.704 nan 8.190 nan 0.000 0.475 194 A N 2.767 125.655 122.820 0.114 0.000 2.511 194 A HA 0.245 4.604 4.320 0.065 0.000 0.242 194 A C 1.356 179.018 177.584 0.130 0.000 1.069 194 A CA 0.277 52.408 52.037 0.157 0.000 0.763 194 A CB 0.009 19.170 19.000 0.269 0.000 1.001 194 A HN 1.112 nan 8.150 nan 0.000 0.498 195 E N 2.150 122.370 120.200 0.033 0.000 2.265 195 E HA -0.266 4.123 4.350 0.065 0.000 0.196 195 E C 1.000 177.661 176.600 0.101 0.000 0.996 195 E CA 1.687 58.013 56.400 -0.123 0.000 0.832 195 E CB -0.228 29.151 29.700 -0.535 0.000 0.756 195 E HN 0.835 nan 8.360 nan 0.000 0.491 196 Q N 0.720 120.583 119.800 0.104 0.000 2.245 196 Q HA 0.013 4.392 4.340 0.065 0.000 0.201 196 Q C 0.661 176.715 176.000 0.090 0.000 0.955 196 Q CA 1.631 57.464 55.803 0.050 0.000 0.870 196 Q CB 0.489 29.147 28.738 -0.134 0.000 0.945 196 Q HN 0.442 nan 8.270 nan 0.000 0.461 197 T N -3.281 111.362 114.554 0.148 0.000 3.583 197 T HA 0.286 4.675 4.350 0.065 0.000 0.266 197 T C -2.461 172.314 174.700 0.125 0.000 1.296 197 T CA -1.261 60.913 62.100 0.124 0.000 1.668 197 T CB 1.129 70.080 68.868 0.138 0.000 0.832 197 T HN -0.039 nan 8.240 nan 0.000 0.649 198 P HA 0.212 nan 4.420 nan 0.000 0.239 198 P C 1.628 178.989 177.300 0.102 0.000 1.188 198 P CA -0.151 63.029 63.100 0.133 0.000 0.794 198 P CB 0.394 32.204 31.700 0.183 0.000 0.937 199 L N 0.698 121.965 121.223 0.073 0.000 1.956 199 L HA -0.193 4.186 4.340 0.065 0.000 0.216 199 L C 2.865 179.805 176.870 0.116 0.000 1.073 199 L CA 2.992 57.872 54.840 0.067 0.000 0.762 199 L CB -2.238 39.835 42.059 0.023 0.000 0.889 199 L HN 0.106 nan 8.230 nan 0.000 0.433 200 T N -1.900 112.712 114.554 0.097 0.000 2.699 200 T HA -0.222 4.167 4.350 0.065 0.000 0.268 200 T C 1.929 176.722 174.700 0.156 0.000 1.036 200 T CA 1.209 63.389 62.100 0.134 0.000 1.147 200 T CB -0.604 68.311 68.868 0.078 0.000 0.862 200 T HN 0.366 nan 8.240 nan 0.000 0.446 201 A N 1.639 124.523 122.820 0.107 0.000 1.933 201 A HA 0.144 4.503 4.320 0.065 0.000 0.218 201 A C 2.499 180.132 177.584 0.082 0.000 1.175 201 A CA 1.415 53.496 52.037 0.074 0.000 0.628 201 A CB -0.900 18.138 19.000 0.063 0.000 0.814 201 A HN 0.564 nan 8.150 nan 0.000 0.444 202 L N -2.292 119.019 121.223 0.147 0.000 2.141 202 L HA -0.155 4.223 4.340 0.065 0.000 0.209 202 L C 2.569 179.592 176.870 0.255 0.000 1.094 202 L CA 1.437 56.416 54.840 0.233 0.000 0.763 202 L CB -0.528 41.662 42.059 0.219 0.000 0.908 202 L HN 0.584 nan 8.230 nan 0.000 0.437 203 Y N 0.205 120.582 120.300 0.127 0.000 2.263 203 Y HA -0.163 4.426 4.550 0.065 0.000 0.292 203 Y C 2.353 178.314 175.900 0.103 0.000 1.130 203 Y CA 1.128 59.320 58.100 0.153 0.000 1.179 203 Y CB -0.243 38.364 38.460 0.245 0.000 0.998 203 Y HN -0.175 nan 8.280 nan 0.000 0.532 204 V N 0.428 120.319 119.914 -0.039 0.000 2.490 204 V HA -0.320 3.839 4.120 0.065 0.000 0.250 204 V C 2.633 178.568 176.094 -0.265 0.000 1.061 204 V CA 1.624 63.839 62.300 -0.143 0.000 1.064 204 V CB -1.503 30.294 31.823 -0.043 0.000 0.670 204 V HN 0.553 nan 8.190 nan 0.000 0.461 205 A N 0.251 122.877 122.820 -0.324 0.000 1.972 205 A HA -0.276 4.083 4.320 0.065 0.000 0.219 205 A C 2.056 179.178 177.584 -0.769 0.000 1.169 205 A CA 2.273 53.848 52.037 -0.771 0.000 0.635 205 A CB -0.731 17.575 19.000 -1.157 0.000 0.810 205 A HN 0.594 nan 8.150 nan 0.000 0.446 206 N N -0.221 118.291 118.700 -0.315 0.000 2.270 206 N HA 0.004 4.782 4.740 0.065 0.000 0.181 206 N C 1.487 176.896 175.510 -0.170 0.000 1.016 206 N CA 1.016 54.017 53.050 -0.082 0.000 0.870 206 N CB -0.280 38.235 38.487 0.046 0.000 0.979 206 N HN 0.483 nan 8.380 nan 0.000 0.431 207 L N -0.200 120.849 121.223 -0.289 0.000 2.156 207 L HA -0.004 4.375 4.340 0.065 0.000 0.208 207 L C 1.914 178.757 176.870 -0.045 0.000 1.095 207 L CA 0.606 55.341 54.840 -0.176 0.000 0.770 207 L CB -0.289 41.658 42.059 -0.187 0.000 0.914 207 L HN 0.206 nan 8.230 nan 0.000 0.439 208 I N 0.289 120.806 120.570 -0.088 0.000 2.394 208 I HA -0.288 3.921 4.170 0.065 0.000 0.251 208 I C 2.728 178.952 176.117 0.179 0.000 1.136 208 I CA 1.285 62.599 61.300 0.024 0.000 1.425 208 I CB -0.178 37.682 38.000 -0.234 0.000 1.079 208 I HN 0.269 nan 8.210 nan 0.000 0.425 209 K N 1.146 121.608 120.400 0.103 0.000 2.103 209 K HA -0.209 4.150 4.320 0.065 0.000 0.204 209 K C 2.027 178.693 176.600 0.111 0.000 1.052 209 K CA 1.341 57.727 56.287 0.164 0.000 0.945 209 K CB -0.032 32.596 32.500 0.212 0.000 0.722 209 K HN 0.256 nan 8.250 nan 0.000 0.443 210 E N 0.024 120.265 120.200 0.069 0.000 2.150 210 E HA -0.125 4.264 4.350 0.065 0.000 0.193 210 E C 1.609 178.238 176.600 0.048 0.000 0.985 210 E CA 0.796 57.222 56.400 0.044 0.000 0.814 210 E CB -0.034 29.672 29.700 0.010 0.000 0.752 210 E HN 0.449 nan 8.360 nan 0.000 0.466 211 A N 0.034 122.902 122.820 0.080 0.000 2.067 211 A HA 0.076 4.435 4.320 0.065 0.000 0.219 211 A C 1.842 179.409 177.584 -0.029 0.000 1.158 211 A CA 1.345 53.411 52.037 0.049 0.000 0.661 211 A CB -0.367 18.713 19.000 0.134 0.000 0.801 211 A HN 0.494 nan 8.150 nan 0.000 0.452 212 G N -2.765 106.053 108.800 0.031 0.000 2.184 212 G HA2 -0.184 3.815 3.960 0.065 0.000 0.206 212 G HA3 -0.184 3.815 3.960 0.065 0.000 0.206 212 G C 0.015 174.914 174.900 -0.001 0.000 0.995 212 G CA -0.199 44.901 45.100 -0.000 0.000 0.651 212 G HN 0.286 nan 8.290 nan 0.000 0.511 213 F N 1.966 121.927 119.950 0.019 0.000 2.578 213 F HA 0.383 4.948 4.527 0.063 0.000 0.376 213 F C -1.027 174.748 175.800 -0.042 0.000 1.085 213 F CA -1.080 56.904 58.000 -0.027 0.000 1.260 213 F CB 0.394 39.316 39.000 -0.130 0.000 1.095 213 F HN -0.076 nan 8.300 nan 0.000 0.573 214 P HA 0.032 nan 4.420 nan 0.000 0.269 214 P C -2.533 174.766 177.300 -0.002 0.000 1.217 214 P CA -0.798 62.349 63.100 0.078 0.000 0.783 214 P CB 0.025 31.803 31.700 0.130 0.000 0.898 215 P HA 0.071 nan 4.420 nan 0.000 0.268 215 P C 0.949 178.191 177.300 -0.096 0.000 1.204 215 P CA 1.180 64.231 63.100 -0.083 0.000 0.768 215 P CB 0.117 31.775 31.700 -0.071 0.000 0.842 216 G N 1.357 110.070 108.800 -0.145 0.000 2.241 216 G HA2 -0.309 3.690 3.960 0.065 0.000 0.244 216 G HA3 -0.309 3.690 3.960 0.065 0.000 0.244 216 G C 1.029 175.836 174.900 -0.156 0.000 0.998 216 G CA 0.255 45.279 45.100 -0.127 0.000 0.621 216 G HN 0.397 nan 8.290 nan 0.000 0.519 217 V N -0.145 119.621 119.914 -0.246 0.000 2.407 217 V HA 0.073 4.232 4.120 0.065 0.000 0.248 217 V C 1.405 177.296 176.094 -0.339 0.000 1.055 217 V CA 2.004 64.033 62.300 -0.451 0.000 1.049 217 V CB 0.059 31.380 31.823 -0.837 0.000 0.662 217 V HN 0.424 nan 8.190 nan 0.000 0.455 218 V N 1.544 121.316 119.914 -0.237 0.000 2.525 218 V HA 0.460 4.619 4.120 0.065 0.000 0.299 218 V C -0.875 175.232 176.094 0.022 0.000 1.034 218 V CA -0.768 61.439 62.300 -0.154 0.000 0.863 218 V CB 1.801 33.476 31.823 -0.247 0.000 0.999 218 V HN 0.436 nan 8.190 nan 0.000 0.423 219 N N 5.678 124.388 118.700 0.017 0.000 2.346 219 N HA 0.617 5.395 4.740 0.065 0.000 0.289 219 N C -1.206 174.361 175.510 0.096 0.000 1.027 219 N CA -0.413 52.684 53.050 0.078 0.000 0.864 219 N CB 3.003 41.481 38.487 -0.014 0.000 1.370 219 N HN 0.487 nan 8.380 nan 0.000 0.481 220 I N 1.663 122.337 120.570 0.175 0.000 2.362 220 I HA 0.325 4.533 4.170 0.065 0.000 0.289 220 I C -0.337 175.878 176.117 0.163 0.000 0.994 220 I CA -0.990 60.389 61.300 0.132 0.000 1.158 220 I CB 1.974 40.035 38.000 0.101 0.000 1.315 220 I HN 0.047 nan 8.210 nan 0.000 0.451 221 V N 8.231 128.222 119.914 0.130 0.000 2.304 221 V HA 0.309 4.468 4.120 0.065 0.000 0.278 221 V C -2.086 174.093 176.094 0.142 0.000 1.018 221 V CA -1.547 60.836 62.300 0.139 0.000 0.814 221 V CB 1.255 33.141 31.823 0.105 0.000 1.021 221 V HN 0.578 nan 8.190 nan 0.000 0.440 222 P HA 0.622 nan 4.420 nan 0.000 0.278 222 P C 0.112 177.525 177.300 0.189 0.000 1.238 222 P CA 0.362 63.584 63.100 0.203 0.000 0.794 222 P CB 2.238 34.090 31.700 0.254 0.000 0.955 223 G N 0.826 109.637 108.800 0.018 0.000 2.345 223 G HA2 0.275 4.274 3.960 0.065 0.000 0.285 223 G HA3 0.275 4.274 3.960 0.065 0.000 0.285 223 G C -1.592 172.982 174.900 -0.544 0.000 1.297 223 G CA -0.874 44.053 45.100 -0.289 0.000 0.875 223 G HN 0.270 nan 8.290 nan 0.000 0.506 224 F N 0.665 120.504 119.950 -0.186 0.000 2.378 224 F HA 0.506 5.072 4.527 0.065 0.000 0.319 224 F C 1.881 177.656 175.800 -0.042 0.000 1.155 224 F CA 0.639 58.548 58.000 -0.150 0.000 1.157 224 F CB 1.436 40.348 39.000 -0.145 0.000 1.252 224 F HN 0.650 nan 8.300 nan 0.000 0.550 225 G N 0.694 109.620 108.800 0.210 0.000 2.464 225 G HA2 -0.126 3.873 3.960 0.065 0.000 0.214 225 G HA3 -0.126 3.873 3.960 0.065 0.000 0.214 225 G C -0.947 174.015 174.900 0.103 0.000 1.218 225 G CA 0.504 45.688 45.100 0.141 0.000 0.794 225 G HN 0.479 nan 8.290 nan 0.000 0.542 226 P HA -0.050 nan 4.420 nan 0.000 0.223 226 P C 1.780 179.112 177.300 0.052 0.000 1.144 226 P CA 2.002 65.127 63.100 0.042 0.000 0.783 226 P CB -0.027 31.680 31.700 0.013 0.000 0.771 227 T N -3.744 110.865 114.554 0.091 0.000 3.401 227 T HA 0.253 4.642 4.350 0.065 0.000 0.225 227 T C 1.945 176.697 174.700 0.086 0.000 0.961 227 T CA 0.593 62.749 62.100 0.093 0.000 1.429 227 T CB -1.134 67.816 68.868 0.137 0.000 1.213 227 T HN -0.101 nan 8.240 nan 0.000 0.440 228 A N 1.689 124.567 122.820 0.098 0.000 1.898 228 A HA 0.291 4.650 4.320 0.065 0.000 0.216 228 A C 2.631 180.265 177.584 0.084 0.000 1.181 228 A CA 1.800 53.889 52.037 0.087 0.000 0.620 228 A CB -1.710 17.340 19.000 0.082 0.000 0.819 228 A HN 0.675 nan 8.150 nan 0.000 0.442 229 G N -0.388 108.464 108.800 0.087 0.000 2.421 229 G HA2 -0.016 3.983 3.960 0.065 0.000 0.216 229 G HA3 -0.016 3.983 3.960 0.065 0.000 0.216 229 G C 1.734 176.672 174.900 0.064 0.000 1.171 229 G CA 1.472 46.627 45.100 0.090 0.000 0.775 229 G HN 0.822 nan 8.290 nan 0.000 0.543 230 A N 0.921 123.769 122.820 0.046 0.000 2.015 230 A HA 0.356 4.715 4.320 0.065 0.000 0.219 230 A C 2.739 180.344 177.584 0.035 0.000 1.163 230 A CA 1.970 54.020 52.037 0.021 0.000 0.646 230 A CB -0.554 18.452 19.000 0.010 0.000 0.806 230 A HN 0.749 nan 8.150 nan 0.000 0.448 231 A N -0.035 122.819 122.820 0.056 0.000 1.969 231 A HA -0.024 4.334 4.320 0.065 0.000 0.218 231 A C 2.071 179.724 177.584 0.115 0.000 1.169 231 A CA 1.408 53.489 52.037 0.073 0.000 0.635 231 A CB -0.478 18.573 19.000 0.085 0.000 0.810 231 A HN 0.506 nan 8.150 nan 0.000 0.445 232 I N -0.511 120.119 120.570 0.099 0.000 2.193 232 I HA -0.194 4.015 4.170 0.065 0.000 0.240 232 I C 2.970 179.139 176.117 0.086 0.000 1.084 232 I CA 0.948 62.306 61.300 0.096 0.000 1.365 232 I CB -0.425 37.617 38.000 0.070 0.000 1.064 232 I HN 0.327 nan 8.210 nan 0.000 0.410 233 A N 0.767 123.619 122.820 0.055 0.000 1.978 233 A HA -0.203 4.156 4.320 0.065 0.000 0.220 233 A C 2.294 179.894 177.584 0.026 0.000 1.170 233 A CA 2.288 54.340 52.037 0.025 0.000 0.636 233 A CB -0.639 18.353 19.000 -0.014 0.000 0.810 233 A HN 0.543 nan 8.150 nan 0.000 0.448 234 S N -1.765 113.956 115.700 0.035 0.000 2.540 234 S HA 0.115 4.624 4.470 0.065 0.000 0.218 234 S C 0.596 175.214 174.600 0.030 0.000 0.977 234 S CA -0.440 57.770 58.200 0.018 0.000 0.918 234 S CB -0.414 62.781 63.200 -0.009 0.000 0.806 234 S HN 0.589 nan 8.310 nan 0.000 0.496 235 H N 2.711 121.777 119.070 -0.007 0.000 2.928 235 H HA 0.169 4.764 4.556 0.065 0.000 0.338 235 H C 0.781 176.104 175.328 -0.008 0.000 1.047 235 H CA 0.507 56.553 56.048 -0.005 0.000 1.435 235 H CB 0.754 30.515 29.762 -0.001 0.000 1.428 235 H HN 0.203 nan 8.280 nan 0.000 0.590 236 E N 2.898 123.129 120.200 0.052 0.000 2.347 236 E HA -0.117 4.272 4.350 0.065 0.000 0.196 236 E C 0.587 177.303 176.600 0.193 0.000 1.008 236 E CA 0.733 57.189 56.400 0.093 0.000 0.852 236 E CB 0.277 29.970 29.700 -0.011 0.000 0.783 236 E HN 0.580 nan 8.360 nan 0.000 0.505 237 D N -0.391 120.267 120.400 0.430 0.000 2.440 237 D HA 0.050 4.729 4.640 0.065 0.000 0.216 237 D C -0.666 175.633 176.300 -0.003 0.000 1.150 237 D CA -0.034 54.061 54.000 0.159 0.000 0.832 237 D CB 0.661 41.546 40.800 0.141 0.000 0.992 237 D HN -0.202 nan 8.370 nan 0.000 0.502 238 V N 1.785 121.708 119.914 0.014 0.000 2.406 238 V HA 0.131 4.290 4.120 0.065 0.000 0.272 238 V C 0.918 176.994 176.094 -0.030 0.000 1.043 238 V CA -0.393 61.873 62.300 -0.057 0.000 0.915 238 V CB 1.689 33.490 31.823 -0.037 0.000 0.988 238 V HN 0.039 nan 8.190 nan 0.000 0.466 239 D N 3.289 123.650 120.400 -0.064 0.000 2.277 239 D HA 0.037 4.715 4.640 0.065 0.000 0.208 239 D C 0.739 177.006 176.300 -0.055 0.000 0.962 239 D CA 0.917 54.882 54.000 -0.058 0.000 0.865 239 D CB 0.679 41.425 40.800 -0.089 0.000 0.939 239 D HN 0.507 nan 8.370 nan 0.000 0.510 240 K N 0.099 120.467 120.400 -0.054 0.000 2.562 240 K HA 0.366 4.724 4.320 0.065 0.000 0.267 240 K C -2.150 174.430 176.600 -0.033 0.000 0.938 240 K CA -0.508 55.742 56.287 -0.061 0.000 0.840 240 K CB 2.686 35.123 32.500 -0.105 0.000 1.390 240 K HN -0.275 nan 8.250 nan 0.000 0.428 241 V N 2.073 121.973 119.914 -0.025 0.000 2.577 241 V HA 0.674 4.833 4.120 0.065 0.000 0.303 241 V C -1.065 175.047 176.094 0.030 0.000 1.042 241 V CA -0.559 61.752 62.300 0.019 0.000 0.872 241 V CB 1.608 33.450 31.823 0.032 0.000 0.998 241 V HN 0.872 nan 8.190 nan 0.000 0.423 242 A N 5.801 128.661 122.820 0.067 0.000 2.287 242 A HA 0.855 5.214 4.320 0.065 0.000 0.317 242 A C -1.220 176.461 177.584 0.161 0.000 1.220 242 A CA -0.373 51.713 52.037 0.081 0.000 0.835 242 A CB 0.774 19.821 19.000 0.078 0.000 1.180 242 A HN 0.848 nan 8.150 nan 0.000 0.500 243 F N 2.071 122.027 119.950 0.011 0.000 2.532 243 F HA 0.744 5.310 4.527 0.064 0.000 0.321 243 F C -0.351 175.463 175.800 0.022 0.000 1.089 243 F CA -0.128 57.882 58.000 0.017 0.000 0.926 243 F CB 2.393 41.396 39.000 0.005 0.000 1.168 243 F HN 0.398 nan 8.300 nan 0.000 0.459 244 T N 4.314 118.211 114.554 -1.094 0.000 2.965 244 T HA 0.733 5.122 4.350 0.065 0.000 0.306 244 T C -0.204 173.832 174.700 -1.108 0.000 0.991 244 T CA -0.279 61.349 62.100 -0.787 0.000 1.001 244 T CB 0.998 69.684 68.868 -0.303 0.000 0.984 244 T HN 1.130 nan 8.240 nan 0.000 0.446 245 G N 2.048 110.347 108.800 -0.834 0.000 2.498 245 G HA2 0.472 4.471 3.960 0.065 0.000 0.181 245 G HA3 0.472 4.471 3.960 0.065 0.000 0.181 245 G C -0.630 174.233 174.900 -0.062 0.000 1.169 245 G CA -0.207 44.635 45.100 -0.430 0.000 0.992 245 G HN 0.931 nan 8.290 nan 0.000 0.490 246 S N -0.226 115.542 115.700 0.113 0.000 2.580 246 S HA 0.443 4.952 4.470 0.065 0.000 0.274 246 S C 1.205 175.927 174.600 0.203 0.000 1.329 246 S CA 0.984 59.241 58.200 0.095 0.000 1.036 246 S CB 1.396 64.639 63.200 0.071 0.000 0.919 246 S HN 0.717 nan 8.310 nan 0.000 0.515 247 T N 1.340 115.988 114.554 0.157 0.000 2.881 247 T HA -0.107 4.282 4.350 0.065 0.000 0.270 247 T C 1.587 176.329 174.700 0.070 0.000 1.068 247 T CA 1.619 63.806 62.100 0.146 0.000 1.131 247 T CB -0.419 68.543 68.868 0.157 0.000 0.871 247 T HN 0.850 nan 8.240 nan 0.000 0.479 248 E N 0.496 120.732 120.200 0.059 0.000 2.038 248 E HA -0.139 4.250 4.350 0.065 0.000 0.195 248 E C 1.902 178.484 176.600 -0.031 0.000 1.000 248 E CA 1.084 57.494 56.400 0.016 0.000 0.803 248 E CB -0.011 29.707 29.700 0.030 0.000 0.750 248 E HN 0.290 nan 8.360 nan 0.000 0.448 249 I N 0.670 121.220 120.570 -0.033 0.000 2.617 249 I HA -0.066 4.142 4.170 0.065 0.000 0.256 249 I C 2.483 178.332 176.117 -0.446 0.000 1.167 249 I CA 1.135 62.323 61.300 -0.186 0.000 1.469 249 I CB -1.539 36.393 38.000 -0.114 0.000 1.098 249 I HN 0.216 nan 8.210 nan 0.000 0.436 250 G N 1.141 109.757 108.800 -0.307 0.000 2.462 250 G HA2 -0.240 3.759 3.960 0.065 0.000 0.220 250 G HA3 -0.240 3.759 3.960 0.065 0.000 0.220 250 G C 1.884 176.665 174.900 -0.199 0.000 1.121 250 G CA 0.357 45.282 45.100 -0.291 0.000 0.758 250 G HN 0.350 nan 8.290 nan 0.000 0.559 251 R N -0.317 120.103 120.500 -0.133 0.000 2.093 251 R HA 0.072 4.451 4.340 0.065 0.000 0.224 251 R C 2.608 178.836 176.300 -0.120 0.000 1.101 251 R CA 0.824 56.866 56.100 -0.098 0.000 0.979 251 R CB -0.433 29.829 30.300 -0.064 0.000 0.877 251 R HN 0.281 nan 8.270 nan 0.000 0.441 252 V N 1.682 121.505 119.914 -0.152 0.000 2.343 252 V HA -0.251 3.908 4.120 0.065 0.000 0.247 252 V C 2.330 178.329 176.094 -0.157 0.000 1.051 252 V CA 1.507 63.724 62.300 -0.140 0.000 1.036 252 V CB -0.433 31.303 31.823 -0.144 0.000 0.654 252 V HN 0.233 nan 8.190 nan 0.000 0.451 253 I N 0.025 120.447 120.570 -0.246 0.000 2.179 253 I HA -0.297 3.912 4.170 0.065 0.000 0.242 253 I C 2.577 178.618 176.117 -0.127 0.000 1.088 253 I CA 2.051 63.218 61.300 -0.221 0.000 1.357 253 I CB -1.202 36.580 38.000 -0.364 0.000 1.051 253 I HN 0.440 nan 8.210 nan 0.000 0.409 254 Q N 0.562 120.293 119.800 -0.115 0.000 2.170 254 Q HA -0.137 4.242 4.340 0.065 0.000 0.203 254 Q C 2.260 178.224 176.000 -0.061 0.000 0.976 254 Q CA 1.482 57.242 55.803 -0.072 0.000 0.858 254 Q CB 0.153 28.855 28.738 -0.060 0.000 0.907 254 Q HN 0.327 nan 8.270 nan 0.000 0.433 255 V N 0.490 120.364 119.914 -0.067 0.000 2.379 255 V HA -0.193 3.966 4.120 0.065 0.000 0.245 255 V C 2.264 178.329 176.094 -0.048 0.000 1.044 255 V CA 1.577 63.845 62.300 -0.054 0.000 1.036 255 V CB -0.899 30.892 31.823 -0.054 0.000 0.664 255 V HN 0.519 nan 8.190 nan 0.000 0.453 256 A N -0.012 122.775 122.820 -0.055 0.000 1.972 256 A HA -0.085 4.274 4.320 0.065 0.000 0.219 256 A C 2.362 179.926 177.584 -0.033 0.000 1.169 256 A CA 1.991 54.002 52.037 -0.044 0.000 0.635 256 A CB -0.565 18.405 19.000 -0.049 0.000 0.810 256 A HN 0.556 nan 8.150 nan 0.000 0.446 257 A N -0.691 122.107 122.820 -0.036 0.000 1.930 257 A HA 0.239 4.598 4.320 0.065 0.000 0.215 257 A C 2.333 179.901 177.584 -0.025 0.000 1.176 257 A CA 1.585 53.606 52.037 -0.026 0.000 0.632 257 A CB -1.115 17.867 19.000 -0.030 0.000 0.819 257 A HN 0.669 nan 8.150 nan 0.000 0.445 258 G N -1.108 107.674 108.800 -0.030 0.000 2.448 258 G HA2 -0.020 3.979 3.960 0.065 0.000 0.218 258 G HA3 -0.020 3.979 3.960 0.065 0.000 0.218 258 G C 1.618 176.503 174.900 -0.025 0.000 1.135 258 G CA 1.135 46.218 45.100 -0.028 0.000 0.784 258 G HN 0.461 nan 8.290 nan 0.000 0.543 259 S N 0.207 115.891 115.700 -0.026 0.000 2.489 259 S HA 0.011 4.520 4.470 0.065 0.000 0.228 259 S C 2.398 176.985 174.600 -0.022 0.000 0.995 259 S CA 1.038 59.223 58.200 -0.025 0.000 0.934 259 S CB 0.046 63.229 63.200 -0.027 0.000 0.771 259 S HN 0.622 nan 8.310 nan 0.000 0.522 260 S N 3.009 118.697 115.700 -0.019 0.000 2.836 260 S HA 0.104 4.613 4.470 0.065 0.000 0.164 260 S C 0.930 175.524 174.600 -0.009 0.000 0.714 260 S CA 0.179 58.370 58.200 -0.015 0.000 0.906 260 S CB -0.510 62.684 63.200 -0.009 0.000 0.702 260 S HN 0.495 nan 8.310 nan 0.000 0.571 261 N N 1.322 120.021 118.700 -0.003 0.000 2.282 261 N HA 0.273 5.052 4.740 0.065 0.000 0.240 261 N C 0.091 175.597 175.510 -0.006 0.000 1.182 261 N CA -0.158 52.892 53.050 -0.000 0.000 0.874 261 N CB -0.434 38.061 38.487 0.013 0.000 1.126 261 N HN 0.604 nan 8.380 nan 0.000 0.516 262 L N -0.370 120.846 121.223 -0.012 0.000 3.843 262 L HA -0.302 4.077 4.340 0.065 0.000 0.411 262 L C 0.012 176.870 176.870 -0.020 0.000 1.205 262 L CA 0.699 55.528 54.840 -0.018 0.000 0.945 262 L CB -1.727 40.321 42.059 -0.018 0.000 1.929 262 L HN 0.459 nan 8.230 nan 0.000 0.934 263 K N 0.283 120.673 120.400 -0.018 0.000 2.336 263 K HA 0.425 4.784 4.320 0.065 0.000 0.262 263 K C 0.354 176.933 176.600 -0.035 0.000 0.992 263 K CA -0.582 55.691 56.287 -0.024 0.000 0.927 263 K CB 0.516 33.007 32.500 -0.016 0.000 0.956 263 K HN 0.110 nan 8.250 nan 0.000 0.495 264 R N 0.690 121.161 120.500 -0.049 0.000 2.594 264 R HA 0.239 4.618 4.340 0.065 0.000 0.272 264 R C -0.682 175.581 176.300 -0.063 0.000 1.074 264 R CA -0.446 55.616 56.100 -0.064 0.000 1.105 264 R CB 0.883 31.130 30.300 -0.089 0.000 1.008 264 R HN 0.399 nan 8.270 nan 0.000 0.472 265 V N 1.385 121.264 119.914 -0.059 0.000 2.686 265 V HA 0.386 4.545 4.120 0.065 0.000 0.306 265 V C -0.454 175.615 176.094 -0.041 0.000 1.065 265 V CA -0.890 61.386 62.300 -0.040 0.000 0.894 265 V CB 2.101 33.908 31.823 -0.027 0.000 1.004 265 V HN 0.984 nan 8.190 nan 0.000 0.424 266 T N 2.906 117.444 114.554 -0.026 0.000 2.848 266 T HA 0.848 5.237 4.350 0.065 0.000 0.285 266 T C -0.981 173.749 174.700 0.050 0.000 0.995 266 T CA -0.636 61.452 62.100 -0.021 0.000 0.970 266 T CB 1.428 70.255 68.868 -0.068 0.000 0.976 266 T HN 0.394 nan 8.240 nan 0.000 0.441 267 L N 2.233 123.491 121.223 0.058 0.000 2.362 267 L HA 0.599 4.978 4.340 0.065 0.000 0.275 267 L C -0.480 176.430 176.870 0.066 0.000 0.998 267 L CA -0.921 53.999 54.840 0.134 0.000 0.820 267 L CB 2.090 44.244 42.059 0.159 0.000 1.270 267 L HN 0.683 nan 8.230 nan 0.000 0.415 268 E N 4.047 124.273 120.200 0.043 0.000 2.376 268 E HA 0.440 4.829 4.350 0.065 0.000 0.236 268 E C -0.809 175.785 176.600 -0.011 0.000 0.962 268 E CA -0.124 56.267 56.400 -0.015 0.000 0.768 268 E CB 0.958 30.649 29.700 -0.015 0.000 1.236 268 E HN 0.382 nan 8.360 nan 0.000 0.431 269 L N 0.425 121.674 121.223 0.044 0.000 2.469 269 L HA 0.574 4.952 4.340 0.065 0.000 0.253 269 L C 1.408 178.289 176.870 0.019 0.000 1.143 269 L CA -0.910 53.975 54.840 0.076 0.000 0.804 269 L CB 0.409 42.571 42.059 0.170 0.000 1.214 269 L HN 0.489 nan 8.230 nan 0.000 0.476 270 G N -1.010 107.765 108.800 -0.042 0.000 2.486 270 G HA2 0.518 4.517 3.960 0.065 0.000 0.272 270 G HA3 0.518 4.517 3.960 0.065 0.000 0.272 270 G C -0.218 174.382 174.900 -0.499 0.000 1.426 270 G CA 0.256 45.235 45.100 -0.202 0.000 1.058 270 G HN 0.905 nan 8.290 nan 0.000 0.531 271 G N -2.325 106.013 108.800 -0.770 0.000 2.550 271 G HA2 0.470 4.469 3.960 0.065 0.000 0.293 271 G HA3 0.470 4.469 3.960 0.065 0.000 0.293 271 G C -1.381 173.176 174.900 -0.572 0.000 1.402 271 G CA -0.499 44.048 45.100 -0.922 0.000 0.784 271 G HN 0.555 nan 8.290 nan 0.000 0.482 272 K N 0.689 120.983 120.400 -0.177 0.000 3.206 272 K HA 0.459 4.818 4.320 0.065 0.000 0.180 272 K C 0.109 176.765 176.600 0.092 0.000 1.088 272 K CA -0.361 55.936 56.287 0.017 0.000 0.872 272 K CB 0.076 32.676 32.500 0.167 0.000 0.976 272 K HN 0.435 nan 8.250 nan 0.000 0.564 273 S N 3.708 119.465 115.700 0.095 0.000 2.596 273 S HA 0.064 4.573 4.470 0.065 0.000 0.298 273 S C -2.264 172.452 174.600 0.194 0.000 1.255 273 S CA -0.504 57.796 58.200 0.166 0.000 1.083 273 S CB 0.062 63.416 63.200 0.257 0.000 0.837 273 S HN 0.387 nan 8.310 nan 0.000 0.499 274 P HA 0.178 nan 4.420 nan 0.000 0.286 274 P C -1.012 176.470 177.300 0.302 0.000 1.269 274 P CA -0.571 62.712 63.100 0.306 0.000 0.787 274 P CB 0.478 32.382 31.700 0.339 0.000 0.920 275 N N 3.860 122.719 118.700 0.264 0.000 2.707 275 N HA 0.282 5.061 4.740 0.065 0.000 0.235 275 N C -0.449 175.200 175.510 0.232 0.000 1.028 275 N CA -0.599 52.595 53.050 0.241 0.000 0.906 275 N CB 0.234 38.747 38.487 0.043 0.000 1.131 275 N HN 0.327 nan 8.380 nan 0.000 0.509 276 I N 4.346 125.074 120.570 0.262 0.000 2.337 276 I HA 0.199 4.408 4.170 0.065 0.000 0.291 276 I C -0.098 176.172 176.117 0.255 0.000 1.046 276 I CA -0.475 60.951 61.300 0.211 0.000 1.324 276 I CB 0.706 38.741 38.000 0.058 0.000 1.409 276 I HN 0.343 nan 8.210 nan 0.000 0.494 277 I N 7.253 127.950 120.570 0.212 0.000 2.328 277 I HA 0.306 4.515 4.170 0.065 0.000 0.287 277 I C 0.294 176.554 176.117 0.237 0.000 1.012 277 I CA -0.588 60.788 61.300 0.128 0.000 1.195 277 I CB 0.893 38.744 38.000 -0.248 0.000 1.350 277 I HN 0.484 nan 8.210 nan 0.000 0.464 278 M N 3.734 123.496 119.600 0.270 0.000 2.202 278 M HA 0.153 4.672 4.480 0.065 0.000 0.316 278 M C 1.711 178.086 176.300 0.126 0.000 1.138 278 M CA 0.032 55.473 55.300 0.236 0.000 1.151 278 M CB 0.606 33.345 32.600 0.231 0.000 1.422 278 M HN 0.660 nan 8.290 nan 0.000 0.471 279 S N 0.553 116.293 115.700 0.067 0.000 2.399 279 S HA -0.155 4.354 4.470 0.065 0.000 0.231 279 S C 0.884 175.530 174.600 0.077 0.000 1.022 279 S CA 1.385 59.609 58.200 0.041 0.000 0.983 279 S CB -0.514 62.688 63.200 0.004 0.000 0.803 279 S HN 0.758 nan 8.310 nan 0.000 0.480 280 D N 2.115 122.573 120.400 0.096 0.000 2.328 280 D HA 0.338 5.017 4.640 0.065 0.000 0.226 280 D C 0.578 176.961 176.300 0.137 0.000 1.066 280 D CA 0.208 54.269 54.000 0.102 0.000 0.861 280 D CB -0.402 40.451 40.800 0.087 0.000 0.912 280 D HN 0.520 nan 8.370 nan 0.000 0.521 281 A N 0.574 123.498 122.820 0.173 0.000 2.366 281 A HA 0.181 4.540 4.320 0.065 0.000 0.249 281 A C 0.032 177.756 177.584 0.233 0.000 1.084 281 A CA -0.381 51.801 52.037 0.241 0.000 0.794 281 A CB 0.200 19.382 19.000 0.304 0.000 1.034 281 A HN 0.104 nan 8.150 nan 0.000 0.491 282 D N 1.828 122.402 120.400 0.290 0.000 2.348 282 D HA 0.150 4.829 4.640 0.065 0.000 0.259 282 D C 1.054 177.526 176.300 0.286 0.000 1.296 282 D CA -0.108 54.052 54.000 0.267 0.000 0.931 282 D CB 0.215 41.195 40.800 0.301 0.000 1.067 282 D HN 0.420 nan 8.370 nan 0.000 0.503 283 M N 3.351 123.076 119.600 0.208 0.000 2.151 283 M HA -0.232 4.287 4.480 0.065 0.000 0.256 283 M C 1.208 177.606 176.300 0.163 0.000 1.072 283 M CA 1.852 57.263 55.300 0.185 0.000 1.090 283 M CB -0.299 32.380 32.600 0.132 0.000 1.294 283 M HN 0.417 nan 8.290 nan 0.000 0.415 284 D N -1.313 119.182 120.400 0.159 0.000 2.104 284 D HA -0.251 4.428 4.640 0.065 0.000 0.194 284 D C 1.885 178.320 176.300 0.225 0.000 0.994 284 D CA 1.562 55.648 54.000 0.144 0.000 0.830 284 D CB -0.615 40.268 40.800 0.138 0.000 0.959 284 D HN 0.666 nan 8.370 nan 0.000 0.452 285 W N 1.615 122.975 121.300 0.098 0.000 2.379 285 W HA -0.144 4.554 4.660 0.063 0.000 0.307 285 W C 2.261 178.891 176.519 0.185 0.000 1.200 285 W CA 1.321 58.758 57.345 0.153 0.000 1.297 285 W CB 0.025 29.604 29.460 0.198 0.000 1.140 285 W HN -0.062 nan 8.180 nan 0.000 0.507 286 A N 0.407 123.324 122.820 0.163 0.000 1.908 286 A HA -0.217 4.142 4.320 0.065 0.000 0.218 286 A C 1.981 179.467 177.584 -0.164 0.000 1.181 286 A CA 2.374 54.310 52.037 -0.170 0.000 0.627 286 A CB -1.183 17.858 19.000 0.068 0.000 0.818 286 A HN 0.163 nan 8.150 nan 0.000 0.445 287 V N -0.164 119.712 119.914 -0.062 0.000 2.358 287 V HA -0.206 3.953 4.120 0.065 0.000 0.246 287 V C 2.591 178.573 176.094 -0.187 0.000 1.047 287 V CA 2.337 64.483 62.300 -0.256 0.000 1.035 287 V CB -0.695 30.926 31.823 -0.337 0.000 0.658 287 V HN 0.682 nan 8.190 nan 0.000 0.452 288 E N 0.039 120.146 120.200 -0.154 0.000 2.072 288 E HA -0.191 4.198 4.350 0.065 0.000 0.191 288 E C 2.286 178.806 176.600 -0.133 0.000 0.985 288 E CA 1.292 57.614 56.400 -0.129 0.000 0.801 288 E CB -0.207 29.430 29.700 -0.105 0.000 0.750 288 E HN 0.493 nan 8.360 nan 0.000 0.452 289 Q N -0.340 119.257 119.800 -0.339 0.000 2.123 289 Q HA 0.033 4.412 4.340 0.065 0.000 0.199 289 Q C 2.145 178.060 176.000 -0.142 0.000 0.966 289 Q CA 1.345 56.992 55.803 -0.259 0.000 0.845 289 Q CB -0.456 28.078 28.738 -0.340 0.000 0.907 289 Q HN 0.372 nan 8.270 nan 0.000 0.439 290 A N 0.223 122.905 122.820 -0.231 0.000 1.972 290 A HA -0.230 4.128 4.320 0.065 0.000 0.219 290 A C 1.917 179.480 177.584 -0.034 0.000 1.169 290 A CA 1.908 53.851 52.037 -0.157 0.000 0.635 290 A CB -0.700 18.328 19.000 0.048 0.000 0.810 290 A HN 0.466 nan 8.150 nan 0.000 0.446 291 H N -1.622 117.438 119.070 -0.017 0.000 2.326 291 H HA -0.103 4.492 4.556 0.065 0.000 0.301 291 H C 1.708 177.188 175.328 0.252 0.000 1.081 291 H CA 2.052 58.198 56.048 0.163 0.000 1.334 291 H CB -0.401 29.386 29.762 0.042 0.000 1.385 291 H HN 0.480 nan 8.280 nan 0.000 0.504 292 F N 0.716 120.692 119.950 0.044 0.000 2.134 292 F HA -0.151 4.414 4.527 0.064 0.000 0.299 292 F C 2.524 178.303 175.800 -0.036 0.000 1.097 292 F CA 1.338 59.347 58.000 0.014 0.000 1.264 292 F CB -0.551 38.417 39.000 -0.052 0.000 1.001 292 F HN 0.296 nan 8.300 nan 0.000 0.479 293 A N 0.374 122.973 122.820 -0.368 0.000 1.958 293 A HA -0.231 4.128 4.320 0.065 0.000 0.221 293 A C 2.127 179.404 177.584 -0.513 0.000 1.178 293 A CA 2.236 53.830 52.037 -0.737 0.000 0.642 293 A CB -0.979 17.326 19.000 -1.159 0.000 0.816 293 A HN 0.630 nan 8.150 nan 0.000 0.453 294 L N -3.324 117.663 121.223 -0.392 0.000 2.349 294 L HA 0.297 4.675 4.340 0.065 0.000 0.200 294 L C 1.975 178.580 176.870 -0.442 0.000 1.064 294 L CA 0.573 55.158 54.840 -0.425 0.000 0.821 294 L CB 0.049 41.778 42.059 -0.550 0.000 1.027 294 L HN 0.277 nan 8.230 nan 0.000 0.476 295 F N -0.397 119.386 119.950 -0.278 0.000 2.502 295 F HA -0.045 4.521 4.527 0.065 0.000 0.298 295 F C 1.018 176.749 175.800 -0.114 0.000 1.111 295 F CA 0.203 58.061 58.000 -0.237 0.000 1.445 295 F CB -0.425 38.326 39.000 -0.415 0.000 1.081 295 F HN -0.052 nan 8.300 nan 0.000 0.558 296 F N 2.104 121.972 119.950 -0.136 0.000 2.623 296 F HA -0.059 4.506 4.527 0.064 0.000 0.383 296 F C 1.197 176.945 175.800 -0.087 0.000 1.077 296 F CA -0.129 57.804 58.000 -0.111 0.000 1.268 296 F CB 0.081 38.828 39.000 -0.422 0.000 1.053 296 F HN 0.097 nan 8.300 nan 0.000 0.571 297 N N 3.644 121.900 118.700 -0.740 0.000 2.725 297 N HA -0.302 4.477 4.740 0.065 0.000 0.251 297 N C -0.104 175.158 175.510 -0.413 0.000 1.031 297 N CA 1.352 53.964 53.050 -0.729 0.000 0.720 297 N CB -0.931 36.904 38.487 -1.086 0.000 0.930 297 N HN 0.773 nan 8.380 nan 0.000 0.543 298 Q N -2.139 117.530 119.800 -0.219 0.000 2.480 298 Q HA -0.181 4.197 4.340 0.065 0.000 0.265 298 Q C 1.285 177.189 176.000 -0.160 0.000 1.072 298 Q CA 2.210 57.940 55.803 -0.122 0.000 1.018 298 Q CB -1.851 26.810 28.738 -0.129 0.000 1.433 298 Q HN 1.164 nan 8.270 nan 0.000 0.513 299 G N -1.111 107.558 108.800 -0.218 0.000 2.189 299 G HA2 -0.409 3.589 3.960 0.065 0.000 0.267 299 G HA3 -0.409 3.589 3.960 0.065 0.000 0.267 299 G C 0.179 174.801 174.900 -0.462 0.000 0.975 299 G CA 0.472 45.400 45.100 -0.286 0.000 0.644 299 G HN 0.481 nan 8.290 nan 0.000 0.537 300 Q N 0.011 119.478 119.800 -0.554 0.000 3.184 300 Q HA 0.450 4.829 4.340 0.065 0.000 0.288 300 Q C -0.037 175.376 176.000 -0.978 0.000 1.412 300 Q CA 0.088 55.287 55.803 -1.005 0.000 0.991 300 Q CB 0.375 28.883 28.738 -0.383 0.000 1.688 300 Q HN 0.374 nan 8.270 nan 0.000 0.554 301 C N 0.343 119.144 119.300 -0.831 0.000 2.397 301 C HA 0.276 4.775 4.460 0.065 0.000 0.325 301 C C 1.939 176.972 174.990 0.071 0.000 1.201 301 C CA -0.826 58.098 59.018 -0.156 0.000 1.377 301 C CB 0.047 27.836 27.740 0.082 0.000 2.038 301 C HN 0.972 nan 8.230 nan 0.000 0.457 302 C N 1.690 121.193 119.300 0.340 0.000 2.403 302 C HA -0.100 4.399 4.460 0.065 0.000 0.279 302 C C 1.861 177.044 174.990 0.322 0.000 1.269 302 C CA 1.447 60.715 59.018 0.416 0.000 1.774 302 C CB -2.535 25.407 27.740 0.336 0.000 1.993 302 C HN 0.985 nan 8.230 nan 0.000 0.496 303 C N 0.945 120.487 119.300 0.402 0.000 2.470 303 C HA 0.762 5.261 4.460 0.065 0.000 0.311 303 C C 1.190 176.452 174.990 0.452 0.000 1.387 303 C CA -0.910 58.370 59.018 0.437 0.000 1.783 303 C CB -2.427 25.703 27.740 0.652 0.000 2.416 303 C HN 0.705 nan 8.230 nan 0.000 0.558 304 A N 0.965 123.955 122.820 0.284 0.000 2.531 304 A HA 0.473 4.832 4.320 0.065 0.000 0.236 304 A C 1.105 178.773 177.584 0.140 0.000 1.062 304 A CA 0.774 52.913 52.037 0.169 0.000 0.760 304 A CB -0.048 18.943 19.000 -0.015 0.000 0.995 304 A HN 1.159 nan 8.150 nan 0.000 0.501 305 G N 1.402 110.176 108.800 -0.043 0.000 3.101 305 G HA2 0.338 4.336 3.960 0.065 0.000 0.272 305 G HA3 0.338 4.336 3.960 0.065 0.000 0.272 305 G C 0.874 175.690 174.900 -0.139 0.000 0.801 305 G CA 0.386 45.416 45.100 -0.116 0.000 1.978 305 G HN 1.140 nan 8.290 nan 0.000 0.591 306 S N 0.694 116.349 115.700 -0.075 0.000 2.650 306 S HA 0.153 4.662 4.470 0.065 0.000 0.219 306 S C 0.969 175.499 174.600 -0.116 0.000 0.960 306 S CA -0.197 57.936 58.200 -0.111 0.000 0.925 306 S CB 0.333 63.480 63.200 -0.089 0.000 0.775 306 S HN 0.429 nan 8.310 nan 0.000 0.525 307 R N 1.599 122.030 120.500 -0.115 0.000 2.607 307 R HA 0.235 4.614 4.340 0.065 0.000 0.278 307 R C -1.268 174.858 176.300 -0.290 0.000 1.637 307 R CA -0.093 55.856 56.100 -0.251 0.000 1.325 307 R CB 1.221 31.399 30.300 -0.203 0.000 1.211 307 R HN 0.149 nan 8.270 nan 0.000 0.565 308 T N 3.556 117.958 114.554 -0.254 0.000 2.992 308 T HA 0.239 4.628 4.350 0.065 0.000 0.299 308 T C 0.017 174.611 174.700 -0.178 0.000 1.027 308 T CA -0.020 61.992 62.100 -0.147 0.000 1.001 308 T CB -0.307 68.536 68.868 -0.041 0.000 1.005 308 T HN 0.163 nan 8.240 nan 0.000 0.599 309 F N 2.481 122.442 119.950 0.019 0.000 2.472 309 F HA 0.381 4.947 4.527 0.064 0.000 0.364 309 F C 0.476 176.407 175.800 0.220 0.000 1.090 309 F CA -0.636 57.432 58.000 0.114 0.000 1.188 309 F CB 0.649 39.606 39.000 -0.072 0.000 1.105 309 F HN 0.179 nan 8.300 nan 0.000 0.536 310 V N 3.855 124.032 119.914 0.439 0.000 2.540 310 V HA 0.248 4.407 4.120 0.065 0.000 0.302 310 V C -0.072 176.026 176.094 0.007 0.000 1.035 310 V CA -1.217 61.159 62.300 0.125 0.000 0.873 310 V CB 1.575 33.252 31.823 -0.243 0.000 0.992 310 V HN 0.592 nan 8.190 nan 0.000 0.428 311 Q N 2.411 121.979 119.800 -0.387 0.000 2.361 311 Q HA 0.035 4.414 4.340 0.065 0.000 0.276 311 Q C 1.336 177.167 176.000 -0.283 0.000 1.022 311 Q CA 0.164 55.480 55.803 -0.811 0.000 0.898 311 Q CB 1.174 29.579 28.738 -0.555 0.000 1.246 311 Q HN 0.992 nan 8.270 nan 0.000 0.410 312 E N 2.044 122.084 120.200 -0.266 0.000 2.130 312 E HA -0.279 4.110 4.350 0.065 0.000 0.196 312 E C 0.332 176.930 176.600 -0.003 0.000 0.998 312 E CA 1.684 58.032 56.400 -0.087 0.000 0.806 312 E CB 0.017 29.646 29.700 -0.119 0.000 0.738 312 E HN 0.530 nan 8.360 nan 0.000 0.459 313 D N 1.260 121.636 120.400 -0.040 0.000 2.221 313 D HA -0.129 4.550 4.640 0.065 0.000 0.204 313 D C 2.042 178.368 176.300 0.042 0.000 0.982 313 D CA 1.522 55.523 54.000 0.002 0.000 0.857 313 D CB -0.143 40.649 40.800 -0.013 0.000 0.934 313 D HN 0.634 nan 8.370 nan 0.000 0.475 314 I N -3.639 116.961 120.570 0.051 0.000 4.081 314 I HA 0.192 4.400 4.170 0.065 0.000 0.333 314 I C 1.740 177.939 176.117 0.137 0.000 1.413 314 I CA -0.591 60.761 61.300 0.088 0.000 1.110 314 I CB -0.047 38.000 38.000 0.078 0.000 1.082 314 I HN -0.251 nan 8.210 nan 0.000 0.402 315 Y N 2.950 123.265 120.300 0.025 0.000 2.030 315 Y HA -0.317 4.271 4.550 0.064 0.000 0.274 315 Y C 2.180 178.155 175.900 0.124 0.000 1.153 315 Y CA 2.436 60.572 58.100 0.061 0.000 1.115 315 Y CB -0.142 38.329 38.460 0.019 0.000 0.969 315 Y HN 0.244 nan 8.280 nan 0.000 0.488 316 D N -0.096 120.451 120.400 0.244 0.000 2.104 316 D HA -0.243 4.436 4.640 0.065 0.000 0.194 316 D C 2.055 178.385 176.300 0.050 0.000 0.994 316 D CA 1.847 55.933 54.000 0.143 0.000 0.830 316 D CB -0.435 40.461 40.800 0.159 0.000 0.959 316 D HN 0.622 nan 8.370 nan 0.000 0.452 317 E N -0.194 120.048 120.200 0.071 0.000 2.051 317 E HA -0.181 4.207 4.350 0.065 0.000 0.192 317 E C 2.107 178.723 176.600 0.026 0.000 0.991 317 E CA 0.527 56.955 56.400 0.046 0.000 0.799 317 E CB -0.198 29.540 29.700 0.064 0.000 0.748 317 E HN 0.175 nan 8.360 nan 0.000 0.449 318 F N 0.865 120.763 119.950 -0.086 0.000 2.069 318 F HA -0.235 4.331 4.527 0.065 0.000 0.298 318 F C 2.113 177.821 175.800 -0.153 0.000 1.113 318 F CA 1.580 59.511 58.000 -0.114 0.000 1.214 318 F CB -0.402 38.521 39.000 -0.128 0.000 0.978 318 F HN -0.111 nan 8.300 nan 0.000 0.474 319 V N 0.561 120.444 119.914 -0.052 0.000 2.324 319 V HA -0.333 3.825 4.120 0.065 0.000 0.250 319 V C 2.351 178.354 176.094 -0.152 0.000 1.060 319 V CA 2.334 64.544 62.300 -0.150 0.000 1.042 319 V CB -0.790 30.884 31.823 -0.248 0.000 0.650 319 V HN 0.390 nan 8.190 nan 0.000 0.450 320 E N -0.071 120.061 120.200 -0.113 0.000 2.038 320 E HA -0.254 4.135 4.350 0.065 0.000 0.195 320 E C 2.515 179.032 176.600 -0.138 0.000 1.000 320 E CA 1.613 57.957 56.400 -0.094 0.000 0.803 320 E CB -0.177 29.488 29.700 -0.057 0.000 0.750 320 E HN 0.562 nan 8.360 nan 0.000 0.448 321 R N 0.258 120.647 120.500 -0.186 0.000 2.096 321 R HA -0.073 4.306 4.340 0.065 0.000 0.235 321 R C 2.594 178.727 176.300 -0.279 0.000 1.127 321 R CA 1.343 57.310 56.100 -0.222 0.000 0.968 321 R CB -0.192 29.961 30.300 -0.244 0.000 0.861 321 R HN 0.011 nan 8.270 nan 0.000 0.440 322 S N 0.412 115.888 115.700 -0.373 0.000 2.368 322 S HA -0.104 4.405 4.470 0.065 0.000 0.225 322 S C 2.131 176.639 174.600 -0.153 0.000 1.030 322 S CA 1.300 59.314 58.200 -0.310 0.000 0.999 322 S CB -0.169 62.810 63.200 -0.367 0.000 0.844 322 S HN 0.072 nan 8.310 nan 0.000 0.459 323 V N 2.062 121.897 119.914 -0.132 0.000 2.343 323 V HA -0.186 3.973 4.120 0.065 0.000 0.247 323 V C 2.653 178.681 176.094 -0.110 0.000 1.051 323 V CA 1.635 63.882 62.300 -0.089 0.000 1.036 323 V CB -1.254 30.525 31.823 -0.073 0.000 0.654 323 V HN 0.538 nan 8.190 nan 0.000 0.451 324 A N 0.351 123.093 122.820 -0.130 0.000 1.902 324 A HA -0.260 4.099 4.320 0.065 0.000 0.217 324 A C 2.318 179.798 177.584 -0.173 0.000 1.181 324 A CA 2.189 54.148 52.037 -0.131 0.000 0.623 324 A CB -0.526 18.399 19.000 -0.124 0.000 0.818 324 A HN 0.447 nan 8.150 nan 0.000 0.443 325 R N 0.123 120.482 120.500 -0.235 0.000 2.092 325 R HA 0.014 4.393 4.340 0.065 0.000 0.231 325 R C 2.133 178.197 176.300 -0.394 0.000 1.119 325 R CA 1.836 57.712 56.100 -0.374 0.000 0.970 325 R CB -0.878 29.113 30.300 -0.516 0.000 0.864 325 R HN 0.397 nan 8.270 nan 0.000 0.440 326 A N 0.584 123.253 122.820 -0.252 0.000 1.933 326 A HA -0.144 4.214 4.320 0.065 0.000 0.218 326 A C 1.930 179.404 177.584 -0.183 0.000 1.175 326 A CA 1.679 53.575 52.037 -0.235 0.000 0.628 326 A CB -0.359 18.567 19.000 -0.123 0.000 0.814 326 A HN 0.386 nan 8.150 nan 0.000 0.444 327 K N 0.431 120.749 120.400 -0.137 0.000 2.148 327 K HA -0.084 4.275 4.320 0.065 0.000 0.204 327 K C 2.107 178.647 176.600 -0.100 0.000 1.050 327 K CA 1.467 57.694 56.287 -0.099 0.000 0.942 327 K CB -0.139 32.312 32.500 -0.082 0.000 0.724 327 K HN 0.637 nan 8.250 nan 0.000 0.446 328 S N 0.710 116.333 115.700 -0.130 0.000 2.527 328 S HA -0.028 4.481 4.470 0.065 0.000 0.222 328 S C 0.903 175.438 174.600 -0.108 0.000 0.985 328 S CA -0.223 57.908 58.200 -0.115 0.000 0.921 328 S CB -0.101 63.020 63.200 -0.132 0.000 0.772 328 S HN 0.134 nan 8.310 nan 0.000 0.529 329 R N 2.120 122.543 120.500 -0.128 0.000 2.399 329 R HA 0.212 4.591 4.340 0.065 0.000 0.324 329 R C -0.938 175.341 176.300 -0.036 0.000 1.030 329 R CA -0.151 55.900 56.100 -0.081 0.000 0.984 329 R CB 0.108 30.344 30.300 -0.107 0.000 0.961 329 R HN 0.166 nan 8.270 nan 0.000 0.433 330 V N 6.311 126.219 119.914 -0.010 0.000 2.485 330 V HA 0.044 4.203 4.120 0.065 0.000 0.287 330 V C 0.237 176.353 176.094 0.038 0.000 1.022 330 V CA -0.020 62.284 62.300 0.007 0.000 1.067 330 V CB 1.066 32.895 31.823 0.010 0.000 0.967 330 V HN 0.448 nan 8.190 nan 0.000 0.479 331 V N 4.894 124.833 119.914 0.042 0.000 2.513 331 V HA 1.011 5.170 4.120 0.065 0.000 0.299 331 V C 0.630 176.757 176.094 0.055 0.000 1.035 331 V CA 0.537 62.897 62.300 0.100 0.000 0.889 331 V CB 1.084 32.984 31.823 0.128 0.000 0.988 331 V HN 1.148 nan 8.190 nan 0.000 0.440 332 G N 3.338 112.220 108.800 0.136 0.000 2.399 332 G HA2 0.132 4.131 3.960 0.065 0.000 0.256 332 G HA3 0.132 4.131 3.960 0.065 0.000 0.256 332 G C -1.037 173.981 174.900 0.196 0.000 1.236 332 G CA -0.829 44.272 45.100 0.001 0.000 0.914 332 G HN 0.624 nan 8.290 nan 0.000 0.482 333 N N 2.235 120.988 118.700 0.088 0.000 2.414 333 N HA 0.197 4.976 4.740 0.065 0.000 0.268 333 N C -0.481 175.112 175.510 0.137 0.000 1.286 333 N CA -1.080 52.064 53.050 0.157 0.000 0.896 333 N CB 1.389 39.944 38.487 0.114 0.000 1.093 333 N HN 0.153 nan 8.380 nan 0.000 0.480 334 P HA -0.161 nan 4.420 nan 0.000 0.219 334 P C 0.805 178.043 177.300 -0.103 0.000 1.146 334 P CA 1.332 64.391 63.100 -0.068 0.000 0.808 334 P CB -0.046 31.517 31.700 -0.229 0.000 0.779 335 F N -0.264 119.728 119.950 0.071 0.000 2.780 335 F HA 0.065 4.631 4.527 0.065 0.000 0.299 335 F C 1.295 177.109 175.800 0.023 0.000 1.146 335 F CA 0.040 58.057 58.000 0.029 0.000 1.428 335 F CB -0.229 38.743 39.000 -0.046 0.000 1.115 335 F HN -0.116 nan 8.300 nan 0.000 0.583 336 D N 0.088 120.597 120.400 0.182 0.000 2.277 336 D HA 0.014 4.693 4.640 0.065 0.000 0.249 336 D C 1.219 177.584 176.300 0.110 0.000 1.134 336 D CA 0.197 54.267 54.000 0.116 0.000 0.863 336 D CB 1.501 42.349 40.800 0.080 0.000 1.143 336 D HN 0.111 nan 8.370 nan 0.000 0.458 337 S N 3.718 119.477 115.700 0.098 0.000 2.419 337 S HA -0.180 4.329 4.470 0.065 0.000 0.235 337 S C 1.390 176.033 174.600 0.071 0.000 1.019 337 S CA 0.850 59.107 58.200 0.095 0.000 0.982 337 S CB -0.060 63.187 63.200 0.078 0.000 0.789 337 S HN 0.535 nan 8.310 nan 0.000 0.490 338 K N 1.077 121.510 120.400 0.055 0.000 2.365 338 K HA 0.083 4.442 4.320 0.065 0.000 0.197 338 K C 0.159 176.787 176.600 0.047 0.000 1.042 338 K CA 0.517 56.829 56.287 0.041 0.000 0.987 338 K CB -0.297 32.218 32.500 0.025 0.000 0.779 338 K HN 0.287 nan 8.250 nan 0.000 0.484 339 T N 2.251 116.840 114.554 0.060 0.000 2.867 339 T HA 0.013 4.402 4.350 0.065 0.000 0.297 339 T C 0.829 175.573 174.700 0.074 0.000 0.989 339 T CA 0.366 62.507 62.100 0.067 0.000 1.159 339 T CB 0.955 69.871 68.868 0.081 0.000 0.928 339 T HN 0.203 nan 8.240 nan 0.000 0.538 340 E N 1.605 121.850 120.200 0.075 0.000 2.290 340 E HA 0.053 4.442 4.350 0.065 0.000 0.197 340 E C 0.794 177.452 176.600 0.097 0.000 0.948 340 E CA 0.143 56.598 56.400 0.093 0.000 0.895 340 E CB 0.584 30.339 29.700 0.091 0.000 0.865 340 E HN 0.571 nan 8.360 nan 0.000 0.486 341 Q N 0.421 120.276 119.800 0.091 0.000 2.292 341 Q HA 0.432 4.811 4.340 0.065 0.000 0.270 341 Q C -0.572 175.492 176.000 0.107 0.000 1.024 341 Q CA -0.607 55.247 55.803 0.086 0.000 0.768 341 Q CB 1.770 30.571 28.738 0.104 0.000 1.250 341 Q HN 0.130 nan 8.270 nan 0.000 0.447 342 G N 3.181 111.997 108.800 0.025 0.000 2.543 342 G HA2 0.593 4.592 3.960 0.065 0.000 0.267 342 G HA3 0.593 4.592 3.960 0.065 0.000 0.267 342 G C -2.526 172.234 174.900 -0.233 0.000 1.406 342 G CA -0.992 44.095 45.100 -0.022 0.000 1.048 342 G HN 0.568 nan 8.290 nan 0.000 0.548 343 P HA 0.222 nan 4.420 nan 0.000 0.279 343 P C -0.880 176.235 177.300 -0.308 0.000 1.276 343 P CA -0.411 62.220 63.100 -0.781 0.000 0.801 343 P CB 1.006 32.033 31.700 -1.120 0.000 1.127 344 Q N -0.098 119.610 119.800 -0.152 0.000 2.312 344 Q HA 0.073 4.452 4.340 0.065 0.000 0.236 344 Q C 1.404 177.299 176.000 -0.176 0.000 0.965 344 Q CA -0.460 55.286 55.803 -0.096 0.000 0.894 344 Q CB 0.524 29.277 28.738 0.026 0.000 1.225 344 Q HN 0.216 nan 8.270 nan 0.000 0.478 345 V N 0.774 120.498 119.914 -0.317 0.000 2.278 345 V HA -0.250 3.909 4.120 0.065 0.000 0.251 345 V C 0.519 176.364 176.094 -0.414 0.000 1.062 345 V CA 2.910 64.936 62.300 -0.458 0.000 1.038 345 V CB -0.046 31.167 31.823 -1.017 0.000 0.646 345 V HN 1.021 nan 8.190 nan 0.000 0.447 346 D N -3.398 116.683 120.400 -0.533 0.000 2.759 346 D HA 0.117 4.795 4.640 0.065 0.000 0.321 346 D C 0.764 176.440 176.300 -1.041 0.000 1.267 346 D CA -0.015 53.562 54.000 -0.705 0.000 0.933 346 D CB 0.769 41.285 40.800 -0.473 0.000 1.431 346 D HN 0.062 nan 8.370 nan 0.000 0.504 347 E N -0.524 118.963 120.200 -1.188 0.000 2.077 347 E HA -0.146 4.242 4.350 0.065 0.000 0.193 347 E C 1.288 177.747 176.600 -0.235 0.000 0.989 347 E CA 1.808 57.734 56.400 -0.789 0.000 0.800 347 E CB -0.070 29.394 29.700 -0.394 0.000 0.746 347 E HN 0.537 nan 8.360 nan 0.000 0.452 348 T N 1.223 115.651 114.554 -0.209 0.000 2.684 348 T HA -0.176 4.213 4.350 0.065 0.000 0.267 348 T C 1.818 176.493 174.700 -0.042 0.000 1.036 348 T CA 1.173 63.220 62.100 -0.088 0.000 1.148 348 T CB -0.150 68.671 68.868 -0.077 0.000 0.863 348 T HN 0.143 nan 8.240 nan 0.000 0.436 349 Q N -0.151 119.596 119.800 -0.088 0.000 2.119 349 Q HA 0.036 4.414 4.340 0.065 0.000 0.201 349 Q C 2.053 178.089 176.000 0.060 0.000 0.972 349 Q CA 0.858 56.661 55.803 0.001 0.000 0.847 349 Q CB -0.566 28.128 28.738 -0.074 0.000 0.903 349 Q HN 0.553 nan 8.270 nan 0.000 0.433 350 F N 2.016 121.881 119.950 -0.142 0.000 2.065 350 F HA -0.259 4.306 4.527 0.064 0.000 0.298 350 F C 2.020 177.824 175.800 0.008 0.000 1.112 350 F CA 1.753 59.718 58.000 -0.058 0.000 1.212 350 F CB -0.008 38.935 39.000 -0.094 0.000 0.975 350 F HN -0.035 nan 8.300 nan 0.000 0.476 351 K N 0.021 120.428 120.400 0.011 0.000 2.025 351 K HA -0.195 4.164 4.320 0.065 0.000 0.207 351 K C 2.196 178.757 176.600 -0.064 0.000 1.049 351 K CA 1.513 57.758 56.287 -0.070 0.000 0.933 351 K CB -0.325 32.188 32.500 0.022 0.000 0.714 351 K HN 0.193 nan 8.250 nan 0.000 0.438 352 K N 1.236 121.636 120.400 -0.000 0.000 2.074 352 K HA -0.161 4.198 4.320 0.065 0.000 0.209 352 K C 1.977 178.658 176.600 0.134 0.000 1.048 352 K CA 1.391 57.705 56.287 0.045 0.000 0.926 352 K CB -0.070 32.506 32.500 0.126 0.000 0.713 352 K HN 0.082 nan 8.250 nan 0.000 0.444 353 I N 0.705 121.346 120.570 0.119 0.000 2.286 353 I HA -0.270 3.939 4.170 0.065 0.000 0.245 353 I C 2.119 178.278 176.117 0.070 0.000 1.104 353 I CA 0.902 62.293 61.300 0.151 0.000 1.397 353 I CB -0.191 37.853 38.000 0.074 0.000 1.072 353 I HN 0.155 nan 8.210 nan 0.000 0.417 354 L N 0.590 121.762 121.223 -0.086 0.000 2.079 354 L HA -0.165 4.214 4.340 0.065 0.000 0.210 354 L C 2.663 179.510 176.870 -0.037 0.000 1.081 354 L CA 1.568 56.344 54.840 -0.107 0.000 0.752 354 L CB -1.119 40.792 42.059 -0.246 0.000 0.896 354 L HN 0.345 nan 8.230 nan 0.000 0.433 355 G N -1.129 107.633 108.800 -0.064 0.000 2.418 355 G HA2 -0.280 3.718 3.960 0.065 0.000 0.217 355 G HA3 -0.280 3.718 3.960 0.065 0.000 0.217 355 G C 1.361 176.197 174.900 -0.108 0.000 1.158 355 G CA 0.531 45.562 45.100 -0.116 0.000 0.771 355 G HN 0.297 nan 8.290 nan 0.000 0.545 356 Y N 0.528 120.821 120.300 -0.010 0.000 2.242 356 Y HA 0.001 4.590 4.550 0.065 0.000 0.291 356 Y C 2.746 178.638 175.900 -0.013 0.000 1.137 356 Y CA 0.662 58.752 58.100 -0.017 0.000 1.181 356 Y CB -0.049 38.408 38.460 -0.005 0.000 0.989 356 Y HN 0.129 nan 8.280 nan 0.000 0.527 357 I N -0.221 120.470 120.570 0.203 0.000 2.226 357 I HA -0.334 3.875 4.170 0.065 0.000 0.245 357 I C 2.431 178.676 176.117 0.214 0.000 1.100 357 I CA 1.310 62.776 61.300 0.276 0.000 1.374 357 I CB -0.468 37.675 38.000 0.238 0.000 1.057 357 I HN 0.345 nan 8.210 nan 0.000 0.413 358 N N 0.575 119.338 118.700 0.104 0.000 2.084 358 N HA -0.166 4.613 4.740 0.065 0.000 0.190 358 N C 1.743 177.273 175.510 0.034 0.000 1.030 358 N CA 2.087 55.176 53.050 0.064 0.000 0.849 358 N CB 0.022 38.517 38.487 0.014 0.000 1.012 358 N HN 0.287 nan 8.380 nan 0.000 0.423 359 T N -0.270 114.281 114.554 -0.004 0.000 2.849 359 T HA -0.082 4.306 4.350 0.065 0.000 0.270 359 T C 1.722 176.384 174.700 -0.064 0.000 1.066 359 T CA 1.207 63.288 62.100 -0.032 0.000 1.130 359 T CB -0.547 68.297 68.868 -0.041 0.000 0.864 359 T HN 0.405 nan 8.240 nan 0.000 0.481 360 G N 1.715 110.432 108.800 -0.139 0.000 2.402 360 G HA2 -0.147 3.851 3.960 0.065 0.000 0.216 360 G HA3 -0.147 3.851 3.960 0.065 0.000 0.216 360 G C 1.588 176.386 174.900 -0.170 0.000 1.162 360 G CA 0.442 45.289 45.100 -0.421 0.000 0.777 360 G HN 0.435 nan 8.290 nan 0.000 0.539 361 K N 0.240 120.691 120.400 0.085 0.000 2.026 361 K HA -0.081 4.278 4.320 0.065 0.000 0.208 361 K C 2.662 179.308 176.600 0.077 0.000 1.048 361 K CA 1.274 57.667 56.287 0.176 0.000 0.929 361 K CB -0.221 32.386 32.500 0.179 0.000 0.713 361 K HN 0.327 nan 8.250 nan 0.000 0.439 362 Q N 0.811 120.634 119.800 0.039 0.000 2.226 362 Q HA -0.156 4.223 4.340 0.065 0.000 0.204 362 Q C 1.357 177.363 176.000 0.009 0.000 0.975 362 Q CA 1.202 57.017 55.803 0.021 0.000 0.866 362 Q CB 0.045 28.787 28.738 0.008 0.000 0.915 362 Q HN 0.418 nan 8.270 nan 0.000 0.440 363 E N -0.952 119.243 120.200 -0.008 0.000 2.489 363 E HA 0.046 4.435 4.350 0.065 0.000 0.193 363 E C 0.829 177.430 176.600 0.002 0.000 1.057 363 E CA 0.347 56.740 56.400 -0.012 0.000 0.866 363 E CB 0.506 30.185 29.700 -0.035 0.000 0.916 363 E HN 0.494 nan 8.360 nan 0.000 0.500 364 G N 1.041 109.854 108.800 0.022 0.000 2.184 364 G HA2 -0.249 3.750 3.960 0.065 0.000 0.206 364 G HA3 -0.249 3.750 3.960 0.065 0.000 0.206 364 G C 0.356 175.297 174.900 0.068 0.000 0.995 364 G CA -0.164 44.962 45.100 0.043 0.000 0.651 364 G HN 0.425 nan 8.290 nan 0.000 0.511 365 A N 0.372 123.230 122.820 0.063 0.000 2.440 365 A HA 0.585 4.944 4.320 0.065 0.000 0.251 365 A C 0.618 178.377 177.584 0.292 0.000 1.089 365 A CA 0.583 52.701 52.037 0.134 0.000 0.779 365 A CB 0.355 19.334 19.000 -0.035 0.000 1.022 365 A HN 0.474 nan 8.150 nan 0.000 0.492 366 K N 2.569 123.132 120.400 0.272 0.000 2.315 366 K HA 0.226 4.585 4.320 0.065 0.000 0.291 366 K C -0.604 176.108 176.600 0.187 0.000 1.074 366 K CA -0.418 55.994 56.287 0.208 0.000 0.936 366 K CB 0.033 32.624 32.500 0.152 0.000 1.049 366 K HN 0.592 nan 8.250 nan 0.000 0.471 367 L N 6.443 127.720 121.223 0.091 0.000 2.456 367 L HA 0.068 4.447 4.340 0.065 0.000 0.277 367 L C 0.256 177.040 176.870 -0.143 0.000 1.124 367 L CA 0.589 55.296 54.840 -0.221 0.000 0.880 367 L CB 0.375 42.316 42.059 -0.197 0.000 1.192 367 L HN 0.764 nan 8.230 nan 0.000 0.463 368 L N 4.880 126.000 121.223 -0.170 0.000 2.477 368 L HA 0.203 4.582 4.340 0.065 0.000 0.220 368 L C 0.439 177.253 176.870 -0.094 0.000 1.106 368 L CA 0.179 54.967 54.840 -0.087 0.000 0.851 368 L CB -0.181 41.850 42.059 -0.046 0.000 0.994 368 L HN 0.844 nan 8.230 nan 0.000 0.462 369 C N -3.468 115.749 119.300 -0.140 0.000 3.253 369 C HA 0.701 5.200 4.460 0.065 0.000 0.342 369 C C 0.710 175.634 174.990 -0.110 0.000 1.306 369 C CA -0.735 58.224 59.018 -0.098 0.000 1.207 369 C CB 0.726 28.427 27.740 -0.066 0.000 1.479 369 C HN 0.601 nan 8.230 nan 0.000 0.469 370 G N 0.909 109.671 108.800 -0.063 0.000 2.582 370 G HA2 0.348 4.347 3.960 0.065 0.000 0.288 370 G HA3 0.348 4.347 3.960 0.065 0.000 0.288 370 G C 1.329 176.195 174.900 -0.056 0.000 1.247 370 G CA 2.358 47.435 45.100 -0.037 0.000 0.972 370 G HN 3.370 nan 8.290 nan 0.000 0.557 371 G N -2.306 106.475 108.800 -0.033 0.000 2.184 371 G HA2 0.460 4.459 3.960 0.065 0.000 0.206 371 G HA3 0.460 4.459 3.960 0.065 0.000 0.206 371 G C 1.335 176.244 174.900 0.016 0.000 0.995 371 G CA 0.924 46.012 45.100 -0.020 0.000 0.651 371 G HN 2.568 nan 8.290 nan 0.000 0.511 372 G N -0.967 107.846 108.800 0.022 0.000 2.921 372 G HA2 0.673 4.671 3.960 0.065 0.000 0.291 372 G HA3 0.673 4.671 3.960 0.065 0.000 0.291 372 G C -0.312 174.623 174.900 0.058 0.000 1.370 372 G CA -0.806 44.312 45.100 0.029 0.000 0.847 372 G HN 0.613 nan 8.290 nan 0.000 0.532 373 I N 1.155 121.777 120.570 0.086 0.000 2.648 373 I HA 0.240 4.449 4.170 0.065 0.000 0.284 373 I C 1.436 177.646 176.117 0.155 0.000 1.153 373 I CA 0.023 61.432 61.300 0.183 0.000 1.426 373 I CB 1.653 39.806 38.000 0.255 0.000 1.381 373 I HN 0.551 nan 8.210 nan 0.000 0.571 374 A N 5.130 128.071 122.820 0.202 0.000 2.267 374 A HA 0.667 5.025 4.320 0.065 0.000 0.213 374 A C 0.702 178.310 177.584 0.040 0.000 1.192 374 A CA 0.561 52.673 52.037 0.124 0.000 0.851 374 A CB 0.093 19.188 19.000 0.159 0.000 0.881 374 A HN 0.831 nan 8.150 nan 0.000 0.494 375 A N -0.372 122.490 122.820 0.070 0.000 2.594 375 A HA 0.490 4.849 4.320 0.065 0.000 0.296 375 A C -0.167 177.430 177.584 0.022 0.000 1.056 375 A CA 0.071 52.078 52.037 -0.051 0.000 0.693 375 A CB 0.332 19.138 19.000 -0.324 0.000 1.278 375 A HN 0.123 nan 8.150 nan 0.000 0.408 376 D N 0.369 120.756 120.400 -0.021 0.000 2.277 376 D HA -0.033 4.646 4.640 0.065 0.000 0.208 376 D C 0.693 176.969 176.300 -0.039 0.000 0.962 376 D CA 0.668 54.665 54.000 -0.005 0.000 0.865 376 D CB 0.440 41.232 40.800 -0.013 0.000 0.939 376 D HN 0.447 nan 8.370 nan 0.000 0.510 377 R N 0.225 120.686 120.500 -0.066 0.000 2.514 377 R HA 0.474 4.853 4.340 0.065 0.000 0.301 377 R C 0.113 176.402 176.300 -0.019 0.000 0.962 377 R CA 0.295 56.343 56.100 -0.087 0.000 0.882 377 R CB 1.629 31.880 30.300 -0.083 0.000 1.143 377 R HN 0.150 nan 8.270 nan 0.000 0.452 378 G N 1.960 110.630 108.800 -0.218 0.000 2.756 378 G HA2 -0.277 3.722 3.960 0.065 0.000 0.678 378 G HA3 -0.277 3.722 3.960 0.065 0.000 0.678 378 G C -0.949 173.614 174.900 -0.560 0.000 1.349 378 G CA -0.611 44.282 45.100 -0.345 0.000 0.847 378 G HN 0.665 nan 8.290 nan 0.000 0.548 379 Y N -0.057 120.001 120.300 -0.403 0.000 2.880 379 Y HA 0.514 5.103 4.550 0.065 0.000 0.386 379 Y C 0.736 176.525 175.900 -0.185 0.000 1.172 379 Y CA -0.707 57.033 58.100 -0.600 0.000 1.770 379 Y CB -0.095 38.062 38.460 -0.504 0.000 1.809 379 Y HN 0.340 nan 8.280 nan 0.000 0.472 380 F N 1.491 121.520 119.950 0.132 0.000 2.396 380 F HA 0.500 5.066 4.527 0.065 0.000 0.343 380 F C 0.226 176.222 175.800 0.326 0.000 1.104 380 F CA -0.919 57.198 58.000 0.195 0.000 1.161 380 F CB 0.709 39.758 39.000 0.081 0.000 1.146 380 F HN 0.020 nan 8.300 nan 0.000 0.522 381 I N 2.093 122.889 120.570 0.377 0.000 2.647 381 I HA 0.240 4.449 4.170 0.065 0.000 0.295 381 I C -0.688 175.547 176.117 0.196 0.000 1.078 381 I CA -1.028 60.424 61.300 0.254 0.000 1.048 381 I CB 2.176 40.274 38.000 0.163 0.000 1.239 381 I HN 0.510 nan 8.210 nan 0.000 0.421 382 Q N 5.540 125.426 119.800 0.145 0.000 2.352 382 Q HA 0.205 4.583 4.340 0.065 0.000 0.260 382 Q C -2.322 173.753 176.000 0.125 0.000 0.976 382 Q CA -1.556 54.312 55.803 0.109 0.000 0.881 382 Q CB 0.188 28.965 28.738 0.065 0.000 1.235 382 Q HN 0.240 nan 8.270 nan 0.000 0.419 383 P HA -0.028 nan 4.420 nan 0.000 0.264 383 P C -1.128 176.293 177.300 0.201 0.000 1.229 383 P CA 0.472 63.705 63.100 0.222 0.000 0.780 383 P CB 0.443 32.105 31.700 -0.064 0.000 0.808 384 T N 2.874 117.574 114.554 0.244 0.000 2.867 384 T HA 0.493 4.882 4.350 0.065 0.000 0.282 384 T C -0.132 174.619 174.700 0.084 0.000 1.000 384 T CA -0.459 61.682 62.100 0.069 0.000 1.042 384 T CB 1.044 69.916 68.868 0.006 0.000 0.973 384 T HN -0.052 nan 8.240 nan 0.000 0.465 385 V N 3.186 123.055 119.914 -0.075 0.000 2.638 385 V HA 0.527 4.685 4.120 0.065 0.000 0.306 385 V C -1.140 174.836 176.094 -0.197 0.000 1.052 385 V CA -0.930 61.357 62.300 -0.021 0.000 0.885 385 V CB 1.497 33.353 31.823 0.054 0.000 0.999 385 V HN 0.828 nan 8.190 nan 0.000 0.424 386 F N 2.212 122.188 119.950 0.044 0.000 2.444 386 F HA 0.770 5.336 4.527 0.064 0.000 0.342 386 F C 0.895 176.729 175.800 0.056 0.000 1.121 386 F CA -0.273 57.754 58.000 0.044 0.000 0.997 386 F CB 2.110 41.128 39.000 0.030 0.000 1.130 386 F HN 0.611 nan 8.300 nan 0.000 0.454 387 G N 0.795 109.745 108.800 0.251 0.000 2.491 387 G HA2 0.332 4.331 3.960 0.065 0.000 0.327 387 G HA3 0.332 4.331 3.960 0.065 0.000 0.327 387 G C -0.406 174.647 174.900 0.255 0.000 1.189 387 G CA -0.602 44.639 45.100 0.236 0.000 0.956 387 G HN 0.742 nan 8.290 nan 0.000 0.491 388 D N -1.139 119.447 120.400 0.310 0.000 2.751 388 D HA -0.166 4.513 4.640 0.065 0.000 0.233 388 D C 0.649 177.025 176.300 0.126 0.000 1.149 388 D CA 0.640 54.753 54.000 0.189 0.000 0.682 388 D CB -0.999 39.879 40.800 0.130 0.000 1.068 388 D HN 0.171 nan 8.370 nan 0.000 0.429 389 V N 0.771 120.759 119.914 0.123 0.000 2.811 389 V HA 0.023 4.182 4.120 0.065 0.000 0.302 389 V C 0.880 177.000 176.094 0.042 0.000 1.063 389 V CA 0.280 62.614 62.300 0.056 0.000 1.088 389 V CB 1.684 33.518 31.823 0.017 0.000 0.982 389 V HN 0.063 nan 8.190 nan 0.000 0.485 390 Q N 1.794 121.611 119.800 0.028 0.000 2.348 390 Q HA 0.325 4.704 4.340 0.065 0.000 0.271 390 Q C 0.399 176.425 176.000 0.044 0.000 1.067 390 Q CA -0.779 55.051 55.803 0.046 0.000 0.839 390 Q CB 1.622 30.384 28.738 0.039 0.000 1.354 390 Q HN 0.678 nan 8.270 nan 0.000 0.447 391 D N 1.259 121.706 120.400 0.078 0.000 2.158 391 D HA -0.147 4.532 4.640 0.065 0.000 0.197 391 D C 1.565 177.897 176.300 0.053 0.000 0.995 391 D CA 1.829 55.881 54.000 0.087 0.000 0.846 391 D CB -0.139 40.727 40.800 0.108 0.000 0.941 391 D HN 0.841 nan 8.370 nan 0.000 0.456 392 G N -0.035 108.789 108.800 0.040 0.000 2.534 392 G HA2 -0.083 3.916 3.960 0.065 0.000 0.217 392 G HA3 -0.083 3.916 3.960 0.065 0.000 0.217 392 G C 0.804 175.714 174.900 0.016 0.000 1.128 392 G CA -0.049 45.067 45.100 0.027 0.000 0.784 392 G HN 0.186 nan 8.290 nan 0.000 0.542 393 M N 0.478 120.082 119.600 0.008 0.000 2.250 393 M HA 0.114 4.633 4.480 0.065 0.000 0.325 393 M C 1.832 178.129 176.300 -0.004 0.000 1.084 393 M CA 0.000 55.293 55.300 -0.011 0.000 1.161 393 M CB 0.689 33.266 32.600 -0.039 0.000 1.481 393 M HN -0.091 nan 8.290 nan 0.000 0.449 394 T N 2.139 116.693 114.554 0.002 0.000 2.746 394 T HA -0.084 4.305 4.350 0.065 0.000 0.267 394 T C 1.541 176.262 174.700 0.035 0.000 1.039 394 T CA 1.607 63.734 62.100 0.045 0.000 1.142 394 T CB -0.388 68.527 68.868 0.078 0.000 0.866 394 T HN 0.758 nan 8.240 nan 0.000 0.444 395 I N -0.379 120.175 120.570 -0.028 0.000 3.083 395 I HA 0.147 4.356 4.170 0.065 0.000 0.273 395 I C 1.988 178.046 176.117 -0.098 0.000 1.297 395 I CA 0.867 62.108 61.300 -0.097 0.000 1.452 395 I CB -0.341 37.518 38.000 -0.235 0.000 1.078 395 I HN 0.074 nan 8.210 nan 0.000 0.484 396 A N 0.542 123.328 122.820 -0.056 0.000 2.390 396 A HA 0.288 4.647 4.320 0.065 0.000 0.232 396 A C 1.922 179.513 177.584 0.013 0.000 1.233 396 A CA -0.127 51.887 52.037 -0.037 0.000 0.907 396 A CB 0.018 19.000 19.000 -0.030 0.000 0.967 396 A HN 0.413 nan 8.150 nan 0.000 0.512 397 K N -0.422 119.993 120.400 0.025 0.000 2.424 397 K HA 0.177 4.536 4.320 0.065 0.000 0.200 397 K C -0.160 176.499 176.600 0.097 0.000 1.279 397 K CA 0.251 56.577 56.287 0.065 0.000 0.918 397 K CB 0.647 33.178 32.500 0.052 0.000 1.287 397 K HN 0.377 nan 8.250 nan 0.000 0.502 398 E N 1.929 122.161 120.200 0.054 0.000 2.216 398 E HA 0.082 4.471 4.350 0.065 0.000 0.279 398 E C -1.071 175.451 176.600 -0.129 0.000 0.997 398 E CA -0.310 56.116 56.400 0.043 0.000 0.817 398 E CB 1.697 31.471 29.700 0.124 0.000 1.096 398 E HN 0.072 nan 8.360 nan 0.000 0.393 399 E N 3.576 123.740 120.200 -0.060 0.000 2.292 399 E HA -0.022 4.367 4.350 0.065 0.000 0.265 399 E C 0.404 176.844 176.600 -0.268 0.000 1.093 399 E CA -0.011 56.309 56.400 -0.133 0.000 0.922 399 E CB 0.364 29.990 29.700 -0.123 0.000 1.001 399 E HN 0.549 nan 8.360 nan 0.000 0.444 400 I N 4.421 124.802 120.570 -0.314 0.000 2.333 400 I HA -0.108 4.100 4.170 0.065 0.000 0.246 400 I C 0.560 176.713 176.117 0.060 0.000 1.106 400 I CA 0.164 61.245 61.300 -0.366 0.000 1.411 400 I CB 0.006 37.819 38.000 -0.312 0.000 1.082 400 I HN 0.677 nan 8.210 nan 0.000 0.420 401 F N 1.553 121.433 119.950 -0.116 0.000 3.080 401 F HA -0.157 4.408 4.527 0.064 0.000 0.292 401 F C 0.394 176.199 175.800 0.008 0.000 0.891 401 F CA 0.617 58.602 58.000 -0.025 0.000 1.086 401 F CB -1.387 37.647 39.000 0.057 0.000 1.095 401 F HN 0.158 nan 8.300 nan 0.000 0.633 402 G N -0.502 108.296 108.800 -0.003 0.000 2.708 402 G HA2 0.630 4.629 3.960 0.065 0.000 0.289 402 G HA3 0.630 4.629 3.960 0.065 0.000 0.289 402 G C -2.925 171.917 174.900 -0.097 0.000 1.416 402 G CA -0.788 44.300 45.100 -0.021 0.000 0.829 402 G HN -0.143 nan 8.290 nan 0.000 0.480 403 P HA 0.201 nan 4.420 nan 0.000 0.232 403 P C -0.516 176.736 177.300 -0.081 0.000 1.738 403 P CA 0.055 63.117 63.100 -0.063 0.000 0.948 403 P CB 0.039 31.869 31.700 0.217 0.000 1.943 404 V N 2.910 122.712 119.914 -0.186 0.000 2.380 404 V HA 0.320 4.479 4.120 0.065 0.000 0.286 404 V C 0.343 176.349 176.094 -0.147 0.000 1.015 404 V CA -0.664 61.606 62.300 -0.050 0.000 0.834 404 V CB 1.885 33.764 31.823 0.093 0.000 1.009 404 V HN 0.291 nan 8.190 nan 0.000 0.428 405 M N 4.047 123.562 119.600 -0.141 0.000 2.233 405 M HA 0.557 5.076 4.480 0.065 0.000 0.355 405 M C -0.762 175.568 176.300 0.051 0.000 1.191 405 M CA -0.260 54.960 55.300 -0.133 0.000 1.101 405 M CB 1.386 33.916 32.600 -0.117 0.000 1.592 405 M HN 0.639 nan 8.290 nan 0.000 0.461 406 Q N 4.967 124.764 119.800 -0.004 0.000 2.333 406 Q HA 0.563 4.942 4.340 0.065 0.000 0.268 406 Q C -1.311 174.680 176.000 -0.016 0.000 1.007 406 Q CA 0.005 55.823 55.803 0.024 0.000 0.810 406 Q CB 1.915 30.621 28.738 -0.053 0.000 1.264 406 Q HN 0.687 nan 8.270 nan 0.000 0.452 407 I N 4.179 124.783 120.570 0.056 0.000 2.355 407 I HA 0.358 4.567 4.170 0.065 0.000 0.288 407 I C -0.928 175.258 176.117 0.115 0.000 0.999 407 I CA -0.818 60.518 61.300 0.060 0.000 1.163 407 I CB 0.722 38.781 38.000 0.098 0.000 1.316 407 I HN 0.327 nan 8.210 nan 0.000 0.454 408 L N 6.502 127.741 121.223 0.027 0.000 2.322 408 L HA 0.550 4.929 4.340 0.065 0.000 0.269 408 L C -0.053 177.026 176.870 0.349 0.000 1.012 408 L CA -0.503 54.403 54.840 0.110 0.000 0.815 408 L CB 1.218 43.193 42.059 -0.141 0.000 1.295 408 L HN 0.462 nan 8.230 nan 0.000 0.438 409 K N 1.297 121.879 120.400 0.304 0.000 2.203 409 K HA 0.732 5.091 4.320 0.065 0.000 0.251 409 K C -1.533 175.277 176.600 0.349 0.000 0.944 409 K CA -0.476 55.956 56.287 0.243 0.000 0.829 409 K CB 1.547 33.885 32.500 -0.270 0.000 1.125 409 K HN 0.533 nan 8.250 nan 0.000 0.430 410 F N 0.671 120.698 119.950 0.128 0.000 2.662 410 F HA 0.447 5.013 4.527 0.065 0.000 0.312 410 F C 0.040 175.872 175.800 0.053 0.000 1.113 410 F CA -0.920 57.137 58.000 0.094 0.000 0.951 410 F CB 1.648 40.714 39.000 0.111 0.000 1.344 410 F HN 0.550 nan 8.300 nan 0.000 0.462 411 K N 0.070 120.530 120.400 0.101 0.000 2.267 411 K HA 0.231 4.590 4.320 0.065 0.000 0.213 411 K C 0.281 176.915 176.600 0.056 0.000 1.060 411 K CA 1.002 57.271 56.287 -0.029 0.000 0.935 411 K CB 0.199 32.713 32.500 0.023 0.000 1.096 411 K HN 0.895 nan 8.250 nan 0.000 0.468 412 T N -1.739 112.945 114.554 0.216 0.000 2.944 412 T HA 0.250 4.639 4.350 0.065 0.000 0.284 412 T C 1.192 176.087 174.700 0.324 0.000 1.010 412 T CA -0.786 61.438 62.100 0.207 0.000 1.025 412 T CB 1.444 70.377 68.868 0.108 0.000 1.079 412 T HN 0.219 nan 8.240 nan 0.000 0.516 413 I N 0.292 121.002 120.570 0.233 0.000 2.315 413 I HA -0.080 4.129 4.170 0.065 0.000 0.248 413 I C 2.083 178.299 176.117 0.164 0.000 1.117 413 I CA 1.379 62.808 61.300 0.216 0.000 1.404 413 I CB -0.037 38.070 38.000 0.179 0.000 1.071 413 I HN 0.743 nan 8.210 nan 0.000 0.419 414 E N 0.592 120.871 120.200 0.132 0.000 2.150 414 E HA -0.257 4.132 4.350 0.065 0.000 0.193 414 E C 1.934 178.567 176.600 0.055 0.000 0.985 414 E CA 1.097 57.573 56.400 0.126 0.000 0.814 414 E CB -0.189 29.559 29.700 0.081 0.000 0.752 414 E HN 0.527 nan 8.360 nan 0.000 0.466 415 E N 0.489 120.718 120.200 0.049 0.000 2.028 415 E HA -0.156 4.233 4.350 0.065 0.000 0.191 415 E C 2.084 178.614 176.600 -0.117 0.000 0.988 415 E CA 1.091 57.498 56.400 0.012 0.000 0.799 415 E CB -0.037 29.717 29.700 0.090 0.000 0.755 415 E HN 0.177 nan 8.360 nan 0.000 0.447 416 V N 0.604 120.373 119.914 -0.242 0.000 2.594 416 V HA -0.187 3.972 4.120 0.065 0.000 0.253 416 V C 2.301 178.088 176.094 -0.512 0.000 1.069 416 V CA 1.287 63.200 62.300 -0.645 0.000 1.082 416 V CB 0.009 31.055 31.823 -1.294 0.000 0.680 416 V HN 0.200 nan 8.190 nan 0.000 0.469 417 V N 0.734 120.484 119.914 -0.272 0.000 2.255 417 V HA -0.183 3.976 4.120 0.065 0.000 0.247 417 V C 2.706 178.688 176.094 -0.188 0.000 1.051 417 V CA 2.341 64.517 62.300 -0.206 0.000 1.018 417 V CB -1.489 30.268 31.823 -0.110 0.000 0.641 417 V HN 0.621 nan 8.190 nan 0.000 0.445 418 G N -0.473 108.246 108.800 -0.135 0.000 2.418 418 G HA2 -0.240 3.759 3.960 0.065 0.000 0.217 418 G HA3 -0.240 3.759 3.960 0.065 0.000 0.217 418 G C 1.746 176.575 174.900 -0.119 0.000 1.158 418 G CA 0.769 45.811 45.100 -0.097 0.000 0.771 418 G HN 0.462 nan 8.290 nan 0.000 0.545 419 R N 0.380 120.763 120.500 -0.195 0.000 2.090 419 R HA 0.153 4.532 4.340 0.065 0.000 0.228 419 R C 3.008 179.182 176.300 -0.210 0.000 1.110 419 R CA 0.971 56.959 56.100 -0.186 0.000 0.973 419 R CB -0.306 29.853 30.300 -0.234 0.000 0.869 419 R HN 0.334 nan 8.270 nan 0.000 0.440 420 A N 1.558 124.133 122.820 -0.409 0.000 1.930 420 A HA -0.147 4.212 4.320 0.065 0.000 0.217 420 A C 1.660 179.202 177.584 -0.070 0.000 1.175 420 A CA 1.397 53.284 52.037 -0.250 0.000 0.627 420 A CB -0.328 18.471 19.000 -0.335 0.000 0.815 420 A HN 0.210 nan 8.150 nan 0.000 0.443 421 N N 0.281 118.924 118.700 -0.095 0.000 2.354 421 N HA -0.075 4.704 4.740 0.065 0.000 0.179 421 N C 0.416 175.918 175.510 -0.012 0.000 1.021 421 N CA 0.532 53.554 53.050 -0.046 0.000 0.887 421 N CB -0.564 37.887 38.487 -0.060 0.000 0.974 421 N HN 0.449 nan 8.380 nan 0.000 0.437 422 N N 0.993 119.686 118.700 -0.012 0.000 2.605 422 N HA 0.054 4.832 4.740 0.065 0.000 0.282 422 N C -1.305 174.226 175.510 0.035 0.000 1.206 422 N CA 0.131 53.186 53.050 0.008 0.000 1.074 422 N CB -0.145 38.347 38.487 0.009 0.000 1.434 422 N HN -0.069 nan 8.380 nan 0.000 0.506 423 S N 0.354 116.071 115.700 0.028 0.000 2.565 423 S HA 0.237 4.746 4.470 0.065 0.000 0.274 423 S C 0.764 175.357 174.600 -0.012 0.000 1.144 423 S CA -0.385 57.837 58.200 0.037 0.000 0.849 423 S CB 0.155 63.420 63.200 0.109 0.000 1.103 423 S HN 0.455 nan 8.310 nan 0.000 0.455 424 T N 0.481 114.971 114.554 -0.107 0.000 3.088 424 T HA 0.241 4.630 4.350 0.065 0.000 0.259 424 T C 0.553 175.130 174.700 -0.205 0.000 1.122 424 T CA 0.648 62.625 62.100 -0.206 0.000 1.095 424 T CB -0.480 68.184 68.868 -0.339 0.000 0.930 424 T HN 0.533 nan 8.240 nan 0.000 0.508 425 Y N 0.467 120.780 120.300 0.021 0.000 2.432 425 Y HA 0.586 5.174 4.550 0.064 0.000 0.322 425 Y C 1.276 177.183 175.900 0.012 0.000 1.246 425 Y CA -0.944 57.168 58.100 0.020 0.000 1.268 425 Y CB 1.729 40.205 38.460 0.027 0.000 1.276 425 Y HN 0.099 nan 8.280 nan 0.000 0.499 426 G N 1.041 109.955 108.800 0.189 0.000 5.569 426 G HA2 0.065 4.064 3.960 0.065 0.000 0.192 426 G HA3 0.065 4.064 3.960 0.065 0.000 0.192 426 G C -0.095 174.754 174.900 -0.084 0.000 0.708 426 G CA -0.260 44.858 45.100 0.030 0.000 0.628 426 G HN 0.556 nan 8.290 nan 0.000 0.345 427 L N 0.636 121.833 121.223 -0.043 0.000 2.044 427 L HA 0.704 5.083 4.340 0.065 0.000 0.205 427 L C 1.200 177.965 176.870 -0.175 0.000 1.075 427 L CA 2.329 57.096 54.840 -0.123 0.000 0.747 427 L CB 0.003 42.036 42.059 -0.044 0.000 0.903 427 L HN 0.449 nan 8.230 nan 0.000 0.435 428 A N -2.302 120.458 122.820 -0.101 0.000 2.588 428 A HA 0.894 5.253 4.320 0.065 0.000 0.290 428 A C -1.452 176.080 177.584 -0.088 0.000 1.136 428 A CA -0.092 51.828 52.037 -0.195 0.000 0.681 428 A CB 0.924 19.837 19.000 -0.145 0.000 1.282 428 A HN 0.441 nan 8.150 nan 0.000 0.421 429 A N -1.194 121.553 122.820 -0.123 0.000 2.586 429 A HA 1.003 5.362 4.320 0.065 0.000 0.291 429 A C -0.710 176.980 177.584 0.177 0.000 1.062 429 A CA 0.094 52.175 52.037 0.072 0.000 0.666 429 A CB 0.608 19.592 19.000 -0.027 0.000 1.281 429 A HN 2.684 nan 8.150 nan 0.000 0.421 430 A N -0.318 122.710 122.820 0.347 0.000 2.572 430 A HA 0.806 5.165 4.320 0.065 0.000 0.295 430 A C -1.526 176.284 177.584 0.377 0.000 1.072 430 A CA -0.482 51.831 52.037 0.459 0.000 0.691 430 A CB 1.588 21.108 19.000 0.866 0.000 1.291 430 A HN 1.815 nan 8.150 nan 0.000 0.404 431 V N 1.040 121.149 119.914 0.324 0.000 2.686 431 V HA 0.576 4.734 4.120 0.065 0.000 0.306 431 V C -1.619 174.653 176.094 0.296 0.000 1.065 431 V CA -0.300 62.179 62.300 0.299 0.000 0.894 431 V CB 1.573 33.490 31.823 0.157 0.000 1.004 431 V HN 0.717 nan 8.190 nan 0.000 0.424 432 F N 2.646 122.699 119.950 0.172 0.000 2.427 432 F HA 0.805 5.371 4.527 0.066 0.000 0.348 432 F C 0.343 176.244 175.800 0.169 0.000 1.125 432 F CA -0.241 57.870 58.000 0.185 0.000 0.989 432 F CB 2.082 41.192 39.000 0.183 0.000 1.165 432 F HN 0.541 nan 8.300 nan 0.000 0.442 433 T N 1.924 116.636 114.554 0.264 0.000 2.775 433 T HA 0.298 4.687 4.350 0.065 0.000 0.320 433 T C -0.025 174.765 174.700 0.149 0.000 1.597 433 T CA -0.662 61.560 62.100 0.203 0.000 1.022 433 T CB 1.515 70.486 68.868 0.172 0.000 1.485 433 T HN 0.650 nan 8.240 nan 0.000 0.494 434 K N 0.456 120.932 120.400 0.126 0.000 2.360 434 K HA 0.202 4.561 4.320 0.065 0.000 0.196 434 K C -0.260 176.384 176.600 0.073 0.000 1.049 434 K CA -0.091 56.252 56.287 0.093 0.000 1.049 434 K CB 0.323 32.875 32.500 0.086 0.000 0.881 434 K HN 0.517 nan 8.250 nan 0.000 0.542 435 D N 1.027 121.475 120.400 0.080 0.000 2.317 435 D HA 0.025 4.703 4.640 0.065 0.000 0.252 435 D C 0.893 177.232 176.300 0.065 0.000 1.174 435 D CA -0.257 53.782 54.000 0.067 0.000 0.866 435 D CB 1.049 41.889 40.800 0.068 0.000 1.127 435 D HN -0.152 nan 8.370 nan 0.000 0.467 436 L N 4.211 125.465 121.223 0.052 0.000 1.970 436 L HA -0.170 4.209 4.340 0.065 0.000 0.212 436 L C 1.391 178.297 176.870 0.060 0.000 1.071 436 L CA 1.938 56.808 54.840 0.049 0.000 0.751 436 L CB -0.424 41.657 42.059 0.038 0.000 0.889 436 L HN 0.537 nan 8.230 nan 0.000 0.432 437 D N -0.411 120.023 120.400 0.056 0.000 2.149 437 D HA -0.197 4.482 4.640 0.065 0.000 0.198 437 D C 2.193 178.555 176.300 0.104 0.000 0.990 437 D CA 1.333 55.373 54.000 0.066 0.000 0.839 437 D CB -0.036 40.785 40.800 0.036 0.000 0.948 437 D HN 0.447 nan 8.370 nan 0.000 0.460 438 K N 0.458 120.918 120.400 0.100 0.000 2.057 438 K HA -0.005 4.354 4.320 0.065 0.000 0.206 438 K C 2.168 178.867 176.600 0.164 0.000 1.050 438 K CA 0.995 57.369 56.287 0.144 0.000 0.935 438 K CB -0.038 32.537 32.500 0.125 0.000 0.715 438 K HN 0.001 nan 8.250 nan 0.000 0.439 439 A N 1.996 124.886 122.820 0.116 0.000 1.902 439 A HA -0.190 4.169 4.320 0.065 0.000 0.217 439 A C 1.811 179.440 177.584 0.074 0.000 1.181 439 A CA 1.664 53.754 52.037 0.089 0.000 0.623 439 A CB -0.465 18.575 19.000 0.066 0.000 0.818 439 A HN 0.227 nan 8.150 nan 0.000 0.443 440 N N -1.642 117.108 118.700 0.084 0.000 2.216 440 N HA -0.128 4.651 4.740 0.065 0.000 0.183 440 N C 1.567 177.126 175.510 0.083 0.000 1.017 440 N CA 1.509 54.600 53.050 0.068 0.000 0.861 440 N CB -0.531 37.997 38.487 0.068 0.000 0.986 440 N HN 0.664 nan 8.380 nan 0.000 0.428 441 Y N 1.720 122.026 120.300 0.011 0.000 2.163 441 Y HA -0.037 4.552 4.550 0.065 0.000 0.288 441 Y C 2.171 178.069 175.900 -0.003 0.000 1.136 441 Y CA 1.304 59.407 58.100 0.006 0.000 1.147 441 Y CB -0.474 37.993 38.460 0.012 0.000 0.987 441 Y HN -0.057 nan 8.280 nan 0.000 0.509 442 L N -0.274 120.915 121.223 -0.057 0.000 2.027 442 L HA -0.201 4.178 4.340 0.065 0.000 0.206 442 L C 2.756 179.536 176.870 -0.150 0.000 1.074 442 L CA 1.660 56.411 54.840 -0.148 0.000 0.745 442 L CB -0.952 41.108 42.059 0.003 0.000 0.898 442 L HN 0.390 nan 8.230 nan 0.000 0.433 443 S N -0.947 114.704 115.700 -0.081 0.000 2.419 443 S HA -0.293 4.216 4.470 0.065 0.000 0.235 443 S C 1.873 176.405 174.600 -0.113 0.000 1.019 443 S CA 1.476 59.624 58.200 -0.087 0.000 0.982 443 S CB -0.295 62.876 63.200 -0.050 0.000 0.789 443 S HN 0.517 nan 8.310 nan 0.000 0.490 444 Q N 0.561 120.285 119.800 -0.127 0.000 2.204 444 Q HA 0.222 4.600 4.340 0.065 0.000 0.198 444 Q C 2.223 178.125 176.000 -0.164 0.000 0.946 444 Q CA 0.815 56.546 55.803 -0.119 0.000 0.859 444 Q CB -0.343 28.342 28.738 -0.090 0.000 0.946 444 Q HN 0.699 nan 8.270 nan 0.000 0.474 445 A N 0.750 123.400 122.820 -0.284 0.000 1.970 445 A HA 0.099 4.458 4.320 0.065 0.000 0.216 445 A C 0.991 178.454 177.584 -0.201 0.000 1.170 445 A CA 0.090 51.946 52.037 -0.301 0.000 0.645 445 A CB -0.323 18.338 19.000 -0.564 0.000 0.816 445 A HN 0.351 nan 8.150 nan 0.000 0.447 446 L N 0.992 122.098 121.223 -0.195 0.000 2.513 446 L HA 0.019 4.398 4.340 0.065 0.000 0.272 446 L C 0.096 176.871 176.870 -0.158 0.000 1.187 446 L CA -0.019 54.722 54.840 -0.165 0.000 0.895 446 L CB 0.418 42.381 42.059 -0.160 0.000 1.147 446 L HN 0.424 nan 8.230 nan 0.000 0.483 447 Q N 3.642 123.367 119.800 -0.125 0.000 2.835 447 Q HA 0.514 4.893 4.340 0.065 0.000 0.235 447 Q C -0.464 175.307 176.000 -0.382 0.000 1.313 447 Q CA -0.263 55.485 55.803 -0.092 0.000 1.053 447 Q CB 0.941 29.732 28.738 0.088 0.000 1.443 447 Q HN 0.686 nan 8.270 nan 0.000 0.576 448 A N -0.125 122.228 122.820 -0.779 0.000 2.549 448 A HA 0.673 5.032 4.320 0.065 0.000 0.297 448 A C 0.848 177.770 177.584 -1.103 0.000 1.061 448 A CA -0.443 51.107 52.037 -0.811 0.000 0.690 448 A CB 1.188 19.937 19.000 -0.418 0.000 1.287 448 A HN 0.565 nan 8.150 nan 0.000 0.402 449 G N 0.028 108.336 108.800 -0.820 0.000 2.443 449 G HA2 0.287 4.286 3.960 0.065 0.000 0.219 449 G HA3 0.287 4.286 3.960 0.065 0.000 0.219 449 G C 0.454 175.112 174.900 -0.402 0.000 1.131 449 G CA 1.649 46.445 45.100 -0.507 0.000 0.775 449 G HN 0.887 nan 8.290 nan 0.000 0.547 450 T N -0.188 114.084 114.554 -0.470 0.000 3.011 450 T HA 0.481 4.870 4.350 0.065 0.000 0.303 450 T C -1.142 173.123 174.700 -0.725 0.000 0.997 450 T CA -0.433 61.318 62.100 -0.581 0.000 1.007 450 T CB 2.665 71.132 68.868 -0.668 0.000 1.017 450 T HN -0.116 nan 8.240 nan 0.000 0.443 451 V N 4.063 123.624 119.914 -0.589 0.000 2.350 451 V HA 0.414 4.573 4.120 0.065 0.000 0.285 451 V C -0.624 175.264 176.094 -0.343 0.000 1.014 451 V CA -0.959 61.095 62.300 -0.410 0.000 0.831 451 V CB 0.997 32.684 31.823 -0.227 0.000 1.000 451 V HN 0.762 nan 8.190 nan 0.000 0.433 452 W N 3.661 124.891 121.300 -0.117 0.000 2.376 452 W HA 0.623 5.322 4.660 0.065 0.000 0.322 452 W C -0.467 175.993 176.519 -0.097 0.000 1.160 452 W CA -0.694 56.574 57.345 -0.128 0.000 1.218 452 W CB 1.751 31.102 29.460 -0.182 0.000 1.205 452 W HN 0.244 nan 8.180 nan 0.000 0.559 453 V N 4.467 124.444 119.914 0.105 0.000 2.407 453 V HA 0.134 4.293 4.120 0.065 0.000 0.291 453 V C 0.111 176.103 176.094 -0.170 0.000 1.018 453 V CA -0.996 61.286 62.300 -0.031 0.000 0.842 453 V CB 1.124 32.947 31.823 0.001 0.000 0.996 453 V HN 0.674 nan 8.190 nan 0.000 0.426 454 N N 2.084 120.456 118.700 -0.548 0.000 2.747 454 N HA -0.175 4.604 4.740 0.065 0.000 0.249 454 N C -0.280 175.025 175.510 -0.341 0.000 1.107 454 N CA 1.271 53.894 53.050 -0.711 0.000 0.707 454 N CB -1.149 37.278 38.487 -0.101 0.000 1.054 454 N HN 1.071 nan 8.380 nan 0.000 0.555 455 C N -4.275 114.767 119.300 -0.431 0.000 3.259 455 C HA 0.795 5.294 4.460 0.065 0.000 0.344 455 C C -1.169 173.814 174.990 -0.012 0.000 1.401 455 C CA -1.356 57.644 59.018 -0.031 0.000 1.219 455 C CB 1.712 29.451 27.740 -0.002 0.000 1.521 455 C HN 0.265 nan 8.230 nan 0.000 0.455 456 Y N -0.107 119.976 120.300 -0.362 0.000 2.592 456 Y HA 0.478 5.069 4.550 0.067 0.000 0.334 456 Y C -0.249 174.978 175.900 -1.123 0.000 1.136 456 Y CA 0.449 58.085 58.100 -0.774 0.000 1.042 456 Y CB 1.351 39.684 38.460 -0.211 0.000 1.325 456 Y HN 1.027 nan 8.280 nan 0.000 0.457 457 D N 1.949 120.934 120.400 -2.358 0.000 2.751 457 D HA -0.136 4.543 4.640 0.065 0.000 0.233 457 D C -0.905 174.780 176.300 -1.025 0.000 1.149 457 D CA 0.982 54.145 54.000 -1.395 0.000 0.682 457 D CB -0.980 39.578 40.800 -0.403 0.000 1.068 457 D HN 0.169 nan 8.370 nan 0.000 0.429 458 V N 1.450 120.595 119.914 -1.281 0.000 2.299 458 V HA 0.249 4.408 4.120 0.065 0.000 0.255 458 V C 0.497 176.413 176.094 -0.297 0.000 1.100 458 V CA -0.237 61.760 62.300 -0.506 0.000 0.938 458 V CB -0.376 31.253 31.823 -0.323 0.000 1.139 458 V HN 0.005 nan 8.190 nan 0.000 0.490 459 F N 2.295 122.262 119.950 0.028 0.000 2.420 459 F HA 0.734 5.298 4.527 0.062 0.000 0.342 459 F C 0.946 176.752 175.800 0.010 0.000 1.113 459 F CA -0.427 57.592 58.000 0.032 0.000 1.059 459 F CB 1.774 40.785 39.000 0.018 0.000 1.128 459 F HN 0.462 nan 8.300 nan 0.000 0.475 460 G N 0.687 109.571 108.800 0.141 0.000 2.452 460 G HA2 0.510 4.509 3.960 0.065 0.000 0.324 460 G HA3 0.510 4.509 3.960 0.065 0.000 0.324 460 G C 0.358 175.208 174.900 -0.084 0.000 1.214 460 G CA -0.511 44.601 45.100 0.020 0.000 0.947 460 G HN 0.867 nan 8.290 nan 0.000 0.478 461 A N 1.313 124.022 122.820 -0.184 0.000 2.070 461 A HA -0.076 4.283 4.320 0.065 0.000 0.220 461 A C 2.169 179.233 177.584 -0.866 0.000 1.159 461 A CA 1.793 53.600 52.037 -0.384 0.000 0.656 461 A CB -0.113 18.687 19.000 -0.333 0.000 0.800 461 A HN 0.627 nan 8.150 nan 0.000 0.453 462 Q N -0.336 118.997 119.800 -0.779 0.000 2.424 462 Q HA 0.142 4.521 4.340 0.065 0.000 0.204 462 Q C 0.036 175.970 176.000 -0.109 0.000 0.933 462 Q CA 0.501 55.946 55.803 -0.597 0.000 0.929 462 Q CB -0.389 28.181 28.738 -0.279 0.000 1.037 462 Q HN 0.377 nan 8.270 nan 0.000 0.511 463 S N 3.940 119.600 115.700 -0.067 0.000 2.462 463 S HA 0.437 4.946 4.470 0.065 0.000 0.294 463 S C -2.446 172.200 174.600 0.077 0.000 1.144 463 S CA -1.210 57.021 58.200 0.052 0.000 1.088 463 S CB 1.580 64.810 63.200 0.050 0.000 1.009 463 S HN 0.153 nan 8.310 nan 0.000 0.484 464 P HA 0.204 nan 4.420 nan 0.000 0.269 464 P C -1.022 176.342 177.300 0.107 0.000 1.209 464 P CA -0.192 62.970 63.100 0.104 0.000 0.776 464 P CB 0.307 32.015 31.700 0.013 0.000 0.876 465 F N 2.302 122.187 119.950 -0.108 0.000 2.579 465 F HA 0.666 5.231 4.527 0.062 0.000 0.325 465 F C -0.364 175.387 175.800 -0.082 0.000 1.162 465 F CA 0.026 57.970 58.000 -0.093 0.000 0.946 465 F CB 1.706 40.647 39.000 -0.099 0.000 1.211 465 F HN 0.586 nan 8.300 nan 0.000 0.447 466 G N 2.265 110.664 108.800 -0.668 0.000 2.548 466 G HA2 0.562 4.561 3.960 0.065 0.000 0.301 466 G HA3 0.562 4.561 3.960 0.065 0.000 0.301 466 G C -1.556 173.084 174.900 -0.433 0.000 1.349 466 G CA -0.275 44.506 45.100 -0.533 0.000 0.792 466 G HN 0.986 nan 8.290 nan 0.000 0.481 467 G N -1.714 106.953 108.800 -0.222 0.000 2.630 467 G HA2 0.619 4.618 3.960 0.065 0.000 0.296 467 G HA3 0.619 4.618 3.960 0.065 0.000 0.296 467 G C -1.587 173.407 174.900 0.157 0.000 1.285 467 G CA -0.605 44.447 45.100 -0.079 0.000 0.958 467 G HN 0.379 nan 8.290 nan 0.000 0.479 468 Y N 0.400 120.643 120.300 -0.095 0.000 2.458 468 Y HA 0.464 5.051 4.550 0.063 0.000 0.322 468 Y C 1.392 177.268 175.900 -0.040 0.000 1.259 468 Y CA -1.190 56.866 58.100 -0.073 0.000 1.302 468 Y CB 1.371 39.788 38.460 -0.070 0.000 1.314 468 Y HN 0.870 nan 8.280 nan 0.000 0.509 469 K N -0.503 119.951 120.400 0.090 0.000 1.867 469 K HA -0.302 4.057 4.320 0.065 0.000 0.140 469 K C 0.599 177.213 176.600 0.024 0.000 1.408 469 K CA 1.846 58.153 56.287 0.033 0.000 0.461 469 K CB -1.063 31.463 32.500 0.044 0.000 0.594 469 K HN 0.607 nan 8.250 nan 0.000 0.888 470 M N 1.086 120.690 119.600 0.007 0.000 2.654 470 M HA 0.023 4.542 4.480 0.065 0.000 0.217 470 M C 0.654 177.018 176.300 0.106 0.000 1.183 470 M CA 0.716 56.016 55.300 0.000 0.000 0.991 470 M CB -0.068 32.469 32.600 -0.106 0.000 1.749 470 M HN 0.327 nan 8.290 nan 0.000 0.475 471 S N 0.147 115.935 115.700 0.147 0.000 2.556 471 S HA 0.384 4.893 4.470 0.065 0.000 0.216 471 S C 0.828 175.474 174.600 0.077 0.000 0.970 471 S CA 0.374 58.682 58.200 0.180 0.000 0.912 471 S CB 0.399 63.685 63.200 0.142 0.000 0.790 471 S HN 0.788 nan 8.310 nan 0.000 0.504 472 G N 0.637 109.472 108.800 0.058 0.000 2.408 472 G HA2 0.052 4.051 3.960 0.065 0.000 0.682 472 G HA3 0.052 4.051 3.960 0.065 0.000 0.682 472 G C -0.970 173.928 174.900 -0.004 0.000 1.303 472 G CA -0.719 44.399 45.100 0.029 0.000 0.966 472 G HN 0.284 nan 8.290 nan 0.000 0.560 473 S N -0.739 114.951 115.700 -0.016 0.000 2.599 473 S HA 1.001 5.509 4.470 0.065 0.000 0.294 473 S C 0.571 175.142 174.600 -0.050 0.000 1.094 473 S CA 0.780 58.956 58.200 -0.040 0.000 0.931 473 S CB 1.381 64.557 63.200 -0.041 0.000 1.093 473 S HN 2.777 nan 8.310 nan 0.000 0.488 474 G N 1.388 110.151 108.800 -0.062 0.000 2.787 474 G HA2 -0.062 3.937 3.960 0.065 0.000 0.685 474 G HA3 -0.062 3.937 3.960 0.065 0.000 0.685 474 G C -1.290 173.568 174.900 -0.070 0.000 1.437 474 G CA -0.851 44.211 45.100 -0.062 0.000 0.872 474 G HN 0.604 nan 8.290 nan 0.000 0.566 475 R N 0.338 120.808 120.500 -0.050 0.000 2.888 475 R HA 0.714 5.093 4.340 0.065 0.000 0.266 475 R C -0.046 176.258 176.300 0.005 0.000 1.020 475 R CA -0.737 55.334 56.100 -0.049 0.000 0.963 475 R CB 1.755 32.020 30.300 -0.059 0.000 1.197 475 R HN 0.774 nan 8.270 nan 0.000 0.481 476 E N 1.172 121.374 120.200 0.003 0.000 2.359 476 E HA 0.523 4.912 4.350 0.065 0.000 0.266 476 E C -0.504 176.092 176.600 -0.008 0.000 0.920 476 E CA -0.940 55.466 56.400 0.010 0.000 0.788 476 E CB 1.791 31.467 29.700 -0.040 0.000 1.279 476 E HN 0.201 nan 8.360 nan 0.000 0.438 477 L N 0.097 121.336 121.223 0.027 0.000 0.586 477 L HA -0.254 4.125 4.340 0.065 0.000 0.356 477 L C 0.568 177.545 176.870 0.179 0.000 1.004 477 L CA 1.251 56.124 54.840 0.055 0.000 1.223 477 L CB -1.847 40.076 42.059 -0.227 0.000 0.012 477 L HN 1.033 nan 8.230 nan 0.000 0.092 478 G N 1.057 109.953 108.800 0.161 0.000 2.752 478 G HA2 -0.292 3.707 3.960 0.065 0.000 0.234 478 G HA3 -0.292 3.707 3.960 0.065 0.000 0.234 478 G C 0.579 175.611 174.900 0.220 0.000 1.367 478 G CA 0.891 46.160 45.100 0.281 0.000 0.879 478 G HN 1.147 nan 8.290 nan 0.000 0.563 479 E N -0.967 119.248 120.200 0.025 0.000 2.204 479 E HA -0.095 4.294 4.350 0.065 0.000 0.195 479 E C 2.054 178.381 176.600 -0.454 0.000 0.990 479 E CA 1.673 57.762 56.400 -0.519 0.000 0.821 479 E CB -0.139 29.276 29.700 -0.475 0.000 0.750 479 E HN 0.639 nan 8.360 nan 0.000 0.477 480 Y N -0.536 119.716 120.300 -0.080 0.000 2.352 480 Y HA -0.038 4.566 4.550 0.091 0.000 0.292 480 Y C 2.428 178.291 175.900 -0.061 0.000 1.136 480 Y CA 0.818 58.886 58.100 -0.054 0.000 1.227 480 Y CB -0.402 38.052 38.460 -0.009 0.000 0.991 480 Y HN 0.150 nan 8.280 nan 0.000 0.545 481 G N 0.001 108.872 108.800 0.119 0.000 2.471 481 G HA2 -0.162 3.836 3.960 0.065 0.000 0.219 481 G HA3 -0.162 3.836 3.960 0.065 0.000 0.219 481 G C 1.513 176.442 174.900 0.049 0.000 1.125 481 G CA 0.697 45.865 45.100 0.114 0.000 0.775 481 G HN 0.365 nan 8.290 nan 0.000 0.548 482 L N -0.418 120.701 121.223 -0.174 0.000 2.179 482 L HA -0.032 4.347 4.340 0.065 0.000 0.208 482 L C 3.014 179.765 176.870 -0.198 0.000 1.096 482 L CA 0.681 55.314 54.840 -0.345 0.000 0.779 482 L CB -0.466 40.964 42.059 -1.050 0.000 0.922 482 L HN 0.250 nan 8.230 nan 0.000 0.443 483 Q N 0.380 120.103 119.800 -0.128 0.000 2.135 483 Q HA -0.208 4.171 4.340 0.065 0.000 0.204 483 Q C 2.418 178.407 176.000 -0.018 0.000 0.981 483 Q CA 1.730 57.542 55.803 0.014 0.000 0.856 483 Q CB -0.320 28.449 28.738 0.051 0.000 0.902 483 Q HN 0.562 nan 8.270 nan 0.000 0.425 484 A N -0.191 122.593 122.820 -0.060 0.000 2.067 484 A HA -0.132 4.226 4.320 0.065 0.000 0.219 484 A C 0.961 178.340 177.584 -0.342 0.000 1.158 484 A CA 0.946 52.858 52.037 -0.208 0.000 0.661 484 A CB -0.306 18.523 19.000 -0.285 0.000 0.801 484 A HN 0.423 nan 8.150 nan 0.000 0.452 485 Y N -0.505 119.769 120.300 -0.043 0.000 2.607 485 Y HA 0.260 4.846 4.550 0.061 0.000 0.266 485 Y C 0.444 176.355 175.900 0.019 0.000 1.178 485 Y CA 0.063 58.150 58.100 -0.022 0.000 1.226 485 Y CB 0.492 38.929 38.460 -0.038 0.000 1.144 485 Y HN 0.056 nan 8.280 nan 0.000 0.528 486 T N 0.557 115.177 114.554 0.109 0.000 2.876 486 T HA 0.401 4.790 4.350 0.065 0.000 0.289 486 T C -0.670 174.043 174.700 0.022 0.000 1.014 486 T CA -0.884 61.282 62.100 0.110 0.000 0.986 486 T CB 1.651 70.632 68.868 0.188 0.000 1.021 486 T HN -0.060 nan 8.240 nan 0.000 0.458 487 K N 1.713 122.134 120.400 0.035 0.000 2.182 487 K HA 0.679 5.038 4.320 0.065 0.000 0.262 487 K C -1.068 175.518 176.600 -0.022 0.000 0.957 487 K CA -0.738 55.553 56.287 0.005 0.000 0.842 487 K CB 1.914 34.442 32.500 0.046 0.000 1.099 487 K HN 0.256 nan 8.250 nan 0.000 0.438 488 V N 3.862 123.745 119.914 -0.052 0.000 2.350 488 V HA 0.227 4.386 4.120 0.065 0.000 0.276 488 V C -0.177 175.912 176.094 -0.009 0.000 1.028 488 V CA -0.603 61.672 62.300 -0.040 0.000 0.860 488 V CB 1.089 32.864 31.823 -0.080 0.000 0.990 488 V HN 0.626 nan 8.190 nan 0.000 0.453 489 K N 3.344 123.753 120.400 0.015 0.000 2.206 489 K HA 0.560 4.919 4.320 0.065 0.000 0.264 489 K C -0.606 175.950 176.600 -0.073 0.000 0.967 489 K CA -0.343 55.931 56.287 -0.023 0.000 0.844 489 K CB 1.485 33.980 32.500 -0.007 0.000 1.099 489 K HN 0.650 nan 8.250 nan 0.000 0.441 490 T N 3.014 117.494 114.554 -0.125 0.000 2.771 490 T HA 0.312 4.701 4.350 0.065 0.000 0.281 490 T C -0.896 173.616 174.700 -0.314 0.000 0.982 490 T CA -0.567 61.405 62.100 -0.214 0.000 0.978 490 T CB 1.261 70.031 68.868 -0.164 0.000 0.930 490 T HN 0.303 nan 8.240 nan 0.000 0.447 491 V N 4.036 123.596 119.914 -0.589 0.000 2.357 491 V HA 0.460 4.619 4.120 0.065 0.000 0.284 491 V C 0.158 175.882 176.094 -0.616 0.000 1.018 491 V CA -0.655 61.252 62.300 -0.655 0.000 0.841 491 V CB 1.669 32.895 31.823 -0.996 0.000 0.991 491 V HN 0.934 nan 8.190 nan 0.000 0.437 492 T N 4.810 119.180 114.554 -0.306 0.000 2.791 492 T HA 0.555 4.944 4.350 0.065 0.000 0.288 492 T C -0.347 174.348 174.700 -0.007 0.000 0.999 492 T CA -0.296 61.703 62.100 -0.170 0.000 0.952 492 T CB 1.415 70.183 68.868 -0.166 0.000 0.938 492 T HN 0.339 nan 8.240 nan 0.000 0.444 493 V N 4.040 124.024 119.914 0.117 0.000 2.483 493 V HA 0.468 4.627 4.120 0.065 0.000 0.295 493 V C 0.356 176.647 176.094 0.329 0.000 1.035 493 V CA -1.117 61.318 62.300 0.224 0.000 0.896 493 V CB 1.783 33.775 31.823 0.282 0.000 0.986 493 V HN 0.720 nan 8.190 nan 0.000 0.447 494 K N 3.824 124.382 120.400 0.263 0.000 2.322 494 K HA 0.547 4.906 4.320 0.065 0.000 0.283 494 K C -0.559 176.044 176.600 0.006 0.000 1.042 494 K CA -0.314 56.027 56.287 0.090 0.000 0.958 494 K CB 1.237 33.785 32.500 0.080 0.000 0.984 494 K HN 0.667 nan 8.250 nan 0.000 0.473 495 V N 1.930 121.781 119.914 -0.105 0.000 2.960 495 V HA 0.430 4.589 4.120 0.065 0.000 0.315 495 V C -2.105 173.923 176.094 -0.109 0.000 1.087 495 V CA -1.990 60.275 62.300 -0.058 0.000 0.982 495 V CB 1.308 33.120 31.823 -0.019 0.000 1.039 495 V HN 0.700 nan 8.190 nan 0.000 0.437 496 P HA -0.121 nan 4.420 nan 0.000 0.214 496 P C 0.033 177.284 177.300 -0.082 0.000 1.169 496 P CA 1.490 64.549 63.100 -0.068 0.000 0.908 496 P CB 0.115 31.787 31.700 -0.047 0.000 0.791 497 Q N -1.317 118.438 119.800 -0.075 0.000 2.331 497 Q HA 0.169 4.547 4.340 0.065 0.000 0.249 497 Q C -1.104 174.860 176.000 -0.059 0.000 0.913 497 Q CA -0.768 54.993 55.803 -0.069 0.000 0.874 497 Q CB 1.120 29.828 28.738 -0.050 0.000 1.384 497 Q HN -0.219 nan 8.270 nan 0.000 0.427 498 K N 3.645 124.010 120.400 -0.058 0.000 2.322 498 K HA 0.301 4.660 4.320 0.065 0.000 0.283 498 K C -1.110 175.480 176.600 -0.017 0.000 1.042 498 K CA 0.187 56.457 56.287 -0.029 0.000 0.958 498 K CB 0.610 33.106 32.500 -0.007 0.000 0.984 498 K HN 0.717 nan 8.250 nan 0.000 0.473 499 N N 1.164 119.855 118.700 -0.015 0.000 2.242 499 N HA 0.107 4.885 4.740 0.065 0.000 0.292 499 N C -0.591 174.916 175.510 -0.005 0.000 1.125 499 N CA -0.447 52.595 53.050 -0.012 0.000 0.783 499 N CB 1.897 40.371 38.487 -0.022 0.000 1.558 499 N HN 0.685 nan 8.380 nan 0.000 0.472 500 S N 0.000 115.700 115.700 0.000 0.000 2.498 500 S HA 0.000 4.509 4.470 0.065 0.000 0.327 500 S CA 0.000 58.203 58.200 0.005 0.000 1.107 500 S CB 0.000 63.205 63.200 0.008 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517