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 2gdq_1_B DATA FIRST_RESID 3 DATA SEQUENCE LVKIVRIETF PLFHRLEKPY GDANGFKRYR TCYLIRIITE SGIDGWGECV DATA SEQUENCE DWLPALHVGF TKRIIPFLLG KQAGSRLSLV RTIQKWHQRA ASAVSMALTE DATA SEQUENCE IAAKAADCSV CELWGGRYRE EIPVYASFQS YSDSPQWISR SVSNVEAQLK DATA SEQUENCE KGFEQIKVKI GGTSFKEDVR HINALQHTAG SSITMILDAN QSYDAAAAFK DATA SEQUENCE WERYFSEWTN IGWLEEPLPF DQPQDYAMLR SRLSVPVAGG ENMKGPAQYV DATA SEQUENCE PLLSQRCLDI IQPDVMHVNG IDEFRDCLQL ARYFGVRASA HAYDGSLSRL DATA SEQUENCE YALFAQACLP PWSKMKNDHI EPIEWDVMEN PFTDLVSLQP SKGMVHIPKG DATA SEQUENCE KGIGTEINME IVNRYKWDGS AYE 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.871 176.870 0.002 0.000 1.165 3 L CA 0.000 54.843 54.840 0.005 0.000 0.813 3 L CB 0.000 42.061 42.059 0.004 0.000 0.961 4 V N 1.120 121.036 119.914 0.003 0.000 2.368 4 V HA 0.243 4.364 4.120 0.001 0.000 0.266 4 V C 0.721 176.813 176.094 -0.003 0.000 1.045 4 V CA -0.427 61.873 62.300 0.001 0.000 0.899 4 V CB 1.169 32.994 31.823 0.003 0.000 1.006 4 V HN 0.244 nan 8.190 nan 0.000 0.470 5 K N 4.437 124.832 120.400 -0.009 0.000 2.355 5 K HA 0.371 4.691 4.320 0.001 0.000 0.270 5 K C -0.196 176.395 176.600 -0.017 0.000 1.003 5 K CA -0.243 56.034 56.287 -0.017 0.000 0.957 5 K CB 0.936 33.423 32.500 -0.021 0.000 0.939 5 K HN 0.519 nan 8.250 nan 0.000 0.482 6 I N 2.886 123.442 120.570 -0.023 0.000 2.471 6 I HA -0.089 4.082 4.170 0.001 0.000 0.286 6 I C 1.359 177.462 176.117 -0.023 0.000 1.079 6 I CA -0.023 61.265 61.300 -0.020 0.000 1.398 6 I CB 0.792 38.781 38.000 -0.018 0.000 1.403 6 I HN 0.508 nan 8.210 nan 0.000 0.530 7 V N 3.047 122.950 119.914 -0.020 0.000 3.455 7 V HA 0.378 4.498 4.120 0.001 0.000 0.250 7 V C 0.565 176.647 176.094 -0.019 0.000 1.230 7 V CA 0.029 62.318 62.300 -0.019 0.000 1.105 7 V CB 0.163 31.977 31.823 -0.015 0.000 0.850 7 V HN 0.841 nan 8.190 nan 0.000 0.461 8 R N -0.060 120.427 120.500 -0.023 0.000 2.594 8 R HA 0.712 5.053 4.340 0.001 0.000 0.265 8 R C -2.243 174.034 176.300 -0.039 0.000 1.070 8 R CA -0.712 55.372 56.100 -0.028 0.000 0.909 8 R CB 2.285 32.568 30.300 -0.030 0.000 1.243 8 R HN 0.359 nan 8.270 nan 0.000 0.455 9 I N 2.901 123.447 120.570 -0.040 0.000 2.512 9 I HA 0.309 4.479 4.170 0.001 0.000 0.287 9 I C -0.683 175.374 176.117 -0.099 0.000 1.069 9 I CA -0.740 60.525 61.300 -0.058 0.000 1.056 9 I CB 2.357 40.358 38.000 0.002 0.000 1.229 9 I HN 0.557 nan 8.210 nan 0.000 0.429 10 E N 3.924 124.028 120.200 -0.159 0.000 2.191 10 E HA 0.551 4.901 4.350 0.001 0.000 0.274 10 E C -0.632 175.716 176.600 -0.420 0.000 0.948 10 E CA -0.762 55.467 56.400 -0.286 0.000 0.802 10 E CB 2.269 31.827 29.700 -0.236 0.000 1.137 10 E HN 0.619 nan 8.360 nan 0.000 0.397 11 T N -0.987 113.180 114.554 -0.645 0.000 2.856 11 T HA 0.623 4.974 4.350 0.001 0.000 0.283 11 T C -0.650 173.450 174.700 -1.000 0.000 1.008 11 T CA -0.785 60.951 62.100 -0.607 0.000 0.997 11 T CB 0.460 69.200 68.868 -0.213 0.000 0.992 11 T HN 0.332 nan 8.240 nan 0.000 0.454 12 F N 2.555 122.194 119.950 -0.517 0.000 2.769 12 F HA 0.358 4.885 4.527 0.001 0.000 0.358 12 F C -2.478 172.974 175.800 -0.579 0.000 1.285 12 F CA -2.264 55.515 58.000 -0.368 0.000 1.199 12 F CB 1.587 40.522 39.000 -0.109 0.000 1.558 12 F HN 0.355 nan 8.300 nan 0.000 0.583 13 P HA 0.151 nan 4.420 nan 0.000 0.267 13 P C -0.624 176.679 177.300 0.003 0.000 1.209 13 P CA 0.332 63.251 63.100 -0.301 0.000 0.763 13 P CB 1.363 33.042 31.700 -0.035 0.000 0.816 14 L N 4.168 125.372 121.223 -0.031 0.000 2.342 14 L HA 0.646 4.986 4.340 0.001 0.000 0.271 14 L C -0.205 176.779 176.870 0.191 0.000 1.008 14 L CA -0.925 53.970 54.840 0.091 0.000 0.818 14 L CB 1.731 43.708 42.059 -0.138 0.000 1.296 14 L HN 0.296 nan 8.230 nan 0.000 0.427 15 F N 2.034 122.164 119.950 0.301 0.000 2.596 15 F HA 0.442 4.969 4.527 0.001 0.000 0.311 15 F C -1.008 175.051 175.800 0.431 0.000 1.116 15 F CA -0.359 57.774 58.000 0.222 0.000 0.957 15 F CB 1.549 40.551 39.000 0.004 0.000 1.250 15 F HN 0.480 nan 8.300 nan 0.000 0.444 16 H N 6.000 124.808 119.070 -0.437 0.000 3.013 16 H HA 0.340 4.897 4.556 0.001 0.000 0.326 16 H C -1.030 174.019 175.328 -0.466 0.000 0.973 16 H CA -0.827 55.054 56.048 -0.278 0.000 1.369 16 H CB 1.319 30.799 29.762 -0.470 0.000 1.598 16 H HN 0.852 nan 8.280 nan 0.000 0.518 17 R N 5.165 125.325 120.500 -0.566 0.000 2.449 17 R HA 0.160 4.500 4.340 0.001 0.000 0.296 17 R C -0.179 175.717 176.300 -0.673 0.000 1.047 17 R CA -0.356 55.520 56.100 -0.373 0.000 1.018 17 R CB 0.403 30.717 30.300 0.023 0.000 0.962 17 R HN 0.536 nan 8.270 nan 0.000 0.428 18 L N 4.045 125.034 121.223 -0.391 0.000 2.416 18 L HA 0.012 4.353 4.340 0.001 0.000 0.272 18 L C 1.702 178.488 176.870 -0.139 0.000 1.161 18 L CA 0.213 54.889 54.840 -0.273 0.000 0.845 18 L CB 1.034 42.937 42.059 -0.260 0.000 1.119 18 L HN 0.802 nan 8.230 nan 0.000 0.464 19 E N 2.508 122.684 120.200 -0.040 0.000 2.051 19 E HA -0.116 4.235 4.350 0.001 0.000 0.192 19 E C -0.090 176.512 176.600 0.003 0.000 0.991 19 E CA 1.415 57.822 56.400 0.012 0.000 0.799 19 E CB 0.359 30.099 29.700 0.067 0.000 0.748 19 E HN 0.458 nan 8.360 nan 0.000 0.449 20 K N 0.914 121.321 120.400 0.013 0.000 2.507 20 K HA 0.344 4.665 4.320 0.001 0.000 0.252 20 K C -2.676 173.891 176.600 -0.055 0.000 0.943 20 K CA -2.149 54.138 56.287 -0.000 0.000 0.808 20 K CB 2.192 34.726 32.500 0.056 0.000 1.142 20 K HN -0.070 nan 8.250 nan 0.000 0.426 21 P HA 0.021 nan 4.420 nan 0.000 0.269 21 P C -1.365 175.858 177.300 -0.130 0.000 1.215 21 P CA 0.042 62.984 63.100 -0.264 0.000 0.780 21 P CB 0.214 31.766 31.700 -0.248 0.000 0.898 22 Y N -1.164 119.190 120.300 0.089 0.000 2.655 22 Y HA 0.883 5.433 4.550 0.001 0.000 0.336 22 Y C 0.145 176.234 175.900 0.316 0.000 1.154 22 Y CA -1.133 57.084 58.100 0.195 0.000 1.055 22 Y CB 1.008 39.558 38.460 0.150 0.000 1.295 22 Y HN 0.673 nan 8.280 nan 0.000 0.465 23 G N 0.104 109.255 108.800 0.586 0.000 2.500 23 G HA2 0.472 4.433 3.960 0.001 0.000 0.299 23 G HA3 0.472 4.433 3.960 0.001 0.000 0.299 23 G C -2.147 172.897 174.900 0.241 0.000 1.242 23 G CA -0.204 45.102 45.100 0.344 0.000 0.859 23 G HN 0.953 nan 8.290 nan 0.000 0.481 24 D N -2.188 118.293 120.400 0.136 0.000 2.837 24 D HA 0.631 5.272 4.640 0.001 0.000 0.294 24 D C 1.415 177.757 176.300 0.070 0.000 1.158 24 D CA 0.376 54.478 54.000 0.170 0.000 1.073 24 D CB 0.737 41.550 40.800 0.021 0.000 1.419 24 D HN 0.948 nan 8.370 nan 0.000 0.584 25 A N -0.516 122.331 122.820 0.046 0.000 2.024 25 A HA -0.179 4.141 4.320 0.001 0.000 0.220 25 A C 1.528 179.014 177.584 -0.164 0.000 1.164 25 A CA 1.338 53.315 52.037 -0.100 0.000 0.643 25 A CB -0.938 18.011 19.000 -0.084 0.000 0.806 25 A HN 0.505 nan 8.150 nan 0.000 0.451 26 N N -0.393 118.233 118.700 -0.124 0.000 2.494 26 N HA 0.210 4.950 4.740 0.001 0.000 0.182 26 N C 0.900 176.307 175.510 -0.172 0.000 1.076 26 N CA 1.156 54.133 53.050 -0.122 0.000 0.908 26 N CB 0.227 38.670 38.487 -0.074 0.000 0.967 26 N HN 0.668 nan 8.380 nan 0.000 0.449 27 G N -0.074 108.568 108.800 -0.262 0.000 2.353 27 G HA2 -0.071 3.889 3.960 0.001 0.000 0.615 27 G HA3 -0.071 3.889 3.960 0.001 0.000 0.615 27 G C -1.461 173.248 174.900 -0.318 0.000 1.280 27 G CA -1.001 43.862 45.100 -0.394 0.000 1.000 27 G HN -0.018 nan 8.290 nan 0.000 0.516 28 F N 1.337 121.255 119.950 -0.054 0.000 2.427 28 F HA 0.550 5.077 4.527 0.001 0.000 0.352 28 F C 1.188 176.925 175.800 -0.105 0.000 1.100 28 F CA -0.281 57.685 58.000 -0.055 0.000 1.191 28 F CB 1.397 40.363 39.000 -0.056 0.000 1.128 28 F HN 0.305 nan 8.300 nan 0.000 0.533 29 K N 3.713 124.139 120.400 0.044 0.000 2.205 29 K HA 0.361 4.681 4.320 0.001 0.000 0.279 29 K C 0.721 177.149 176.600 -0.286 0.000 1.027 29 K CA -0.537 55.646 56.287 -0.175 0.000 0.932 29 K CB 1.333 33.731 32.500 -0.169 0.000 1.032 29 K HN 0.556 nan 8.250 nan 0.000 0.466 30 R N 1.727 122.034 120.500 -0.321 0.000 2.344 30 R HA 0.100 4.440 4.340 0.001 0.000 0.209 30 R C -0.060 176.168 176.300 -0.120 0.000 0.886 30 R CA 0.235 56.236 56.100 -0.165 0.000 1.040 30 R CB 0.408 30.743 30.300 0.059 0.000 1.114 30 R HN 0.676 nan 8.270 nan 0.000 0.547 31 Y N -1.544 118.679 120.300 -0.128 0.000 2.655 31 Y HA 0.678 5.228 4.550 0.001 0.000 0.336 31 Y C -0.837 174.948 175.900 -0.191 0.000 1.154 31 Y CA -1.648 56.280 58.100 -0.287 0.000 1.055 31 Y CB 0.996 39.180 38.460 -0.460 0.000 1.295 31 Y HN -0.392 nan 8.280 nan 0.000 0.465 32 R N 1.021 121.522 120.500 0.003 0.000 2.686 32 R HA 0.697 5.038 4.340 0.001 0.000 0.286 32 R C -1.025 175.412 176.300 0.229 0.000 0.969 32 R CA -0.571 55.628 56.100 0.165 0.000 0.898 32 R CB 1.909 32.320 30.300 0.185 0.000 1.183 32 R HN 1.046 nan 8.270 nan 0.000 0.456 33 T N -2.687 112.004 114.554 0.229 0.000 2.887 33 T HA 0.678 5.028 4.350 0.001 0.000 0.292 33 T C -0.541 174.057 174.700 -0.171 0.000 1.087 33 T CA -0.741 61.388 62.100 0.048 0.000 1.009 33 T CB 1.988 70.888 68.868 0.052 0.000 1.203 33 T HN 0.661 nan 8.240 nan 0.000 0.518 34 C N 1.216 120.293 119.300 -0.371 0.000 3.171 34 C HA 0.762 5.223 4.460 0.001 0.000 0.336 34 C C -2.222 172.671 174.990 -0.161 0.000 1.198 34 C CA -0.778 57.996 59.018 -0.407 0.000 1.319 34 C CB 0.640 27.779 27.740 -1.001 0.000 1.682 34 C HN 1.060 nan 8.230 nan 0.000 0.497 35 Y N 5.208 125.418 120.300 -0.151 0.000 2.322 35 Y HA 0.676 5.226 4.550 0.001 0.000 0.324 35 Y C -0.934 174.950 175.900 -0.027 0.000 1.027 35 Y CA -0.663 57.393 58.100 -0.074 0.000 1.179 35 Y CB 0.849 39.285 38.460 -0.041 0.000 1.136 35 Y HN 0.712 nan 8.280 nan 0.000 0.449 36 L N 7.390 128.577 121.223 -0.059 0.000 2.343 36 L HA 0.619 4.959 4.340 0.001 0.000 0.275 36 L C -0.244 176.711 176.870 0.142 0.000 1.056 36 L CA -1.106 53.821 54.840 0.145 0.000 0.804 36 L CB 1.627 43.835 42.059 0.249 0.000 1.203 36 L HN 0.637 nan 8.230 nan 0.000 0.440 37 I N 0.042 120.715 120.570 0.170 0.000 2.689 37 I HA 0.629 4.799 4.170 0.001 0.000 0.299 37 I C -0.821 175.241 176.117 -0.091 0.000 1.059 37 I CA -0.831 60.475 61.300 0.010 0.000 1.055 37 I CB 2.312 40.228 38.000 -0.140 0.000 1.243 37 I HN 0.656 nan 8.210 nan 0.000 0.425 38 R N 6.408 126.726 120.500 -0.303 0.000 2.451 38 R HA 0.609 4.949 4.340 0.001 0.000 0.307 38 R C -1.779 174.316 176.300 -0.342 0.000 0.965 38 R CA -0.610 55.079 56.100 -0.685 0.000 0.865 38 R CB 1.502 31.088 30.300 -1.189 0.000 1.174 38 R HN 0.817 nan 8.270 nan 0.000 0.455 39 I N 6.190 126.609 120.570 -0.251 0.000 2.331 39 I HA 0.315 4.486 4.170 0.001 0.000 0.292 39 I C -0.296 175.750 176.117 -0.118 0.000 0.998 39 I CA -0.823 60.406 61.300 -0.119 0.000 1.267 39 I CB 1.558 39.537 38.000 -0.036 0.000 1.386 39 I HN 0.489 nan 8.210 nan 0.000 0.476 40 I N 5.209 125.730 120.570 -0.082 0.000 2.433 40 I HA 0.312 4.482 4.170 0.001 0.000 0.292 40 I C 0.518 176.616 176.117 -0.031 0.000 1.001 40 I CA -0.253 61.011 61.300 -0.060 0.000 1.119 40 I CB 2.094 40.059 38.000 -0.058 0.000 1.289 40 I HN 0.578 nan 8.210 nan 0.000 0.438 41 T N -0.124 114.419 114.554 -0.019 0.000 2.936 41 T HA 0.355 4.705 4.350 0.001 0.000 0.282 41 T C 0.906 175.601 174.700 -0.008 0.000 1.003 41 T CA -0.534 61.559 62.100 -0.011 0.000 1.005 41 T CB 1.430 70.296 68.868 -0.003 0.000 1.097 41 T HN 0.694 nan 8.240 nan 0.000 0.532 42 E N 0.248 120.444 120.200 -0.007 0.000 2.130 42 E HA -0.183 4.167 4.350 0.001 0.000 0.196 42 E C 2.037 178.636 176.600 -0.002 0.000 0.998 42 E CA 1.658 58.055 56.400 -0.005 0.000 0.806 42 E CB -0.226 29.471 29.700 -0.006 0.000 0.738 42 E HN 0.786 nan 8.360 nan 0.000 0.459 43 S N -1.679 114.022 115.700 0.000 0.000 2.561 43 S HA 0.103 4.574 4.470 0.001 0.000 0.225 43 S C 1.638 176.241 174.600 0.005 0.000 0.977 43 S CA 0.598 58.800 58.200 0.003 0.000 0.926 43 S CB 0.449 63.652 63.200 0.005 0.000 0.769 43 S HN 0.493 nan 8.310 nan 0.000 0.533 44 G N 1.204 110.007 108.800 0.004 0.000 2.241 44 G HA2 -0.253 3.707 3.960 0.001 0.000 0.244 44 G HA3 -0.253 3.707 3.960 0.001 0.000 0.244 44 G C 0.112 175.019 174.900 0.011 0.000 0.998 44 G CA 0.034 45.138 45.100 0.007 0.000 0.621 44 G HN 0.586 nan 8.290 nan 0.000 0.519 45 I N 2.988 123.565 120.570 0.012 0.000 2.668 45 I HA 0.293 4.463 4.170 0.001 0.000 0.285 45 I C 0.411 176.534 176.117 0.011 0.000 1.168 45 I CA 0.464 61.775 61.300 0.019 0.000 1.424 45 I CB 0.373 38.385 38.000 0.020 0.000 1.377 45 I HN 0.425 nan 8.210 nan 0.000 0.560 46 D N 4.950 125.360 120.400 0.017 0.000 2.450 46 D HA 0.757 5.398 4.640 0.001 0.000 0.238 46 D C -0.450 175.855 176.300 0.007 0.000 1.020 46 D CA -0.729 53.256 54.000 -0.025 0.000 1.010 46 D CB 2.000 42.753 40.800 -0.077 0.000 1.342 46 D HN 0.572 nan 8.370 nan 0.000 0.530 47 G N -1.031 107.731 108.800 -0.064 0.000 2.719 47 G HA2 0.490 4.451 3.960 0.001 0.000 0.298 47 G HA3 0.490 4.451 3.960 0.001 0.000 0.298 47 G C -1.958 172.901 174.900 -0.069 0.000 1.411 47 G CA -1.065 44.062 45.100 0.045 0.000 0.991 47 G HN 0.296 nan 8.290 nan 0.000 0.509 48 W N 0.471 121.835 121.300 0.106 0.000 2.512 48 W HA 0.702 5.363 4.660 0.000 0.000 0.335 48 W C 0.522 177.108 176.519 0.111 0.000 1.088 48 W CA -0.120 57.282 57.345 0.095 0.000 1.236 48 W CB 2.620 32.121 29.460 0.068 0.000 1.307 48 W HN 0.792 nan 8.180 nan 0.000 0.567 49 G N 0.764 109.753 108.800 0.315 0.000 2.642 49 G HA2 0.624 4.584 3.960 0.001 0.000 0.293 49 G HA3 0.624 4.584 3.960 0.001 0.000 0.293 49 G C -1.971 173.055 174.900 0.210 0.000 1.341 49 G CA -0.713 44.515 45.100 0.213 0.000 0.916 49 G HN 0.389 nan 8.290 nan 0.000 0.474 50 E N -1.217 119.074 120.200 0.151 0.000 2.308 50 E HA 0.565 4.915 4.350 0.001 0.000 0.275 50 E C -0.696 175.975 176.600 0.120 0.000 0.890 50 E CA -0.846 55.629 56.400 0.125 0.000 0.754 50 E CB 1.897 31.639 29.700 0.070 0.000 1.207 50 E HN 0.857 nan 8.360 nan 0.000 0.426 51 C N 0.664 120.054 119.300 0.149 0.000 3.236 51 C HA 0.885 5.346 4.460 0.001 0.000 0.312 51 C C -1.016 174.051 174.990 0.129 0.000 1.374 51 C CA -0.744 58.357 59.018 0.138 0.000 1.455 51 C CB 0.784 28.618 27.740 0.158 0.000 1.834 51 C HN 0.445 nan 8.230 nan 0.000 0.460 52 V N 2.158 122.149 119.914 0.129 0.000 2.524 52 V HA 0.755 4.876 4.120 0.001 0.000 0.297 52 V C -1.030 175.172 176.094 0.180 0.000 1.035 52 V CA 0.449 62.831 62.300 0.136 0.000 0.867 52 V CB 1.360 33.257 31.823 0.124 0.000 1.004 52 V HN 1.085 nan 8.190 nan 0.000 0.426 53 D N 2.063 122.576 120.400 0.188 0.000 2.738 53 D HA 0.185 4.825 4.640 0.001 0.000 0.308 53 D C -1.615 174.857 176.300 0.286 0.000 1.311 53 D CA -0.550 53.600 54.000 0.252 0.000 0.799 53 D CB 1.577 42.536 40.800 0.266 0.000 1.332 53 D HN 0.372 nan 8.370 nan 0.000 0.441 54 W N 2.813 124.199 121.300 0.144 0.000 2.381 54 W HA 0.214 4.874 4.660 0.001 0.000 0.321 54 W C 0.750 177.304 176.519 0.058 0.000 1.407 54 W CA 0.026 57.452 57.345 0.135 0.000 1.274 54 W CB 0.007 29.514 29.460 0.078 0.000 1.310 54 W HN 0.372 nan 8.180 nan 0.000 0.551 55 L N 8.355 129.328 121.223 -0.416 0.000 2.046 55 L HA -0.127 4.214 4.340 0.001 0.000 0.208 55 L C -0.326 176.132 176.870 -0.686 0.000 1.077 55 L CA 0.929 55.389 54.840 -0.634 0.000 0.747 55 L CB -1.923 39.425 42.059 -1.186 0.000 0.896 55 L HN 0.331 nan 8.230 nan 0.000 0.432 56 P HA -0.230 nan 4.420 nan 0.000 0.215 56 P C 1.483 178.612 177.300 -0.285 0.000 1.157 56 P CA 2.059 64.861 63.100 -0.497 0.000 0.874 56 P CB 0.000 31.134 31.700 -0.944 0.000 0.790 57 A N -1.163 121.454 122.820 -0.339 0.000 1.897 57 A HA -0.131 4.189 4.320 0.001 0.000 0.215 57 A C 2.125 179.741 177.584 0.055 0.000 1.181 57 A CA 1.198 53.273 52.037 0.063 0.000 0.620 57 A CB -1.589 17.639 19.000 0.381 0.000 0.821 57 A HN 0.132 nan 8.150 nan 0.000 0.443 58 L N -0.855 120.361 121.223 -0.011 0.000 2.046 58 L HA -0.138 4.202 4.340 0.001 0.000 0.208 58 L C 2.286 179.093 176.870 -0.105 0.000 1.077 58 L CA 2.632 57.391 54.840 -0.135 0.000 0.747 58 L CB -0.866 41.050 42.059 -0.238 0.000 0.896 58 L HN 0.599 nan 8.230 nan 0.000 0.432 59 H N -0.957 118.076 119.070 -0.062 0.000 2.389 59 H HA -0.097 4.460 4.556 0.001 0.000 0.299 59 H C 2.170 177.595 175.328 0.161 0.000 1.081 59 H CA 2.019 58.178 56.048 0.185 0.000 1.345 59 H CB -0.260 29.731 29.762 0.382 0.000 1.393 59 H HN 0.283 nan 8.280 nan 0.000 0.520 60 V N -1.525 118.410 119.914 0.035 0.000 2.427 60 V HA -0.013 4.107 4.120 0.001 0.000 0.248 60 V C 2.482 178.540 176.094 -0.060 0.000 1.051 60 V CA 1.837 64.112 62.300 -0.042 0.000 1.048 60 V CB -1.362 30.459 31.823 -0.004 0.000 0.666 60 V HN 0.459 nan 8.190 nan 0.000 0.456 61 G N -0.343 108.419 108.800 -0.063 0.000 2.505 61 G HA2 -0.283 3.677 3.960 0.001 0.000 0.220 61 G HA3 -0.283 3.677 3.960 0.001 0.000 0.220 61 G C 1.366 176.122 174.900 -0.240 0.000 1.145 61 G CA 1.557 46.564 45.100 -0.155 0.000 0.761 61 G HN 0.546 nan 8.290 nan 0.000 0.571 62 F N 1.433 121.306 119.950 -0.129 0.000 2.098 62 F HA -0.001 4.527 4.527 0.000 0.000 0.294 62 F C 3.263 179.022 175.800 -0.069 0.000 1.107 62 F CA 1.887 59.849 58.000 -0.064 0.000 1.234 62 F CB -0.758 38.247 39.000 0.009 0.000 1.002 62 F HN 0.217 nan 8.300 nan 0.000 0.472 63 T N -2.564 112.024 114.554 0.057 0.000 2.904 63 T HA -0.074 4.277 4.350 0.001 0.000 0.267 63 T C 1.712 176.383 174.700 -0.048 0.000 1.059 63 T CA 0.866 62.942 62.100 -0.040 0.000 1.137 63 T CB -0.091 68.659 68.868 -0.197 0.000 0.879 63 T HN -0.003 nan 8.240 nan 0.000 0.467 64 K N 0.312 120.667 120.400 -0.074 0.000 2.352 64 K HA 0.349 4.670 4.320 0.001 0.000 0.194 64 K C 2.037 178.553 176.600 -0.139 0.000 1.038 64 K CA 0.367 56.597 56.287 -0.095 0.000 1.023 64 K CB 0.511 32.953 32.500 -0.097 0.000 0.840 64 K HN 0.446 nan 8.250 nan 0.000 0.519 65 R N -0.446 119.952 120.500 -0.171 0.000 2.977 65 R HA 0.299 4.639 4.340 0.001 0.000 0.161 65 R C 1.989 178.175 176.300 -0.190 0.000 0.805 65 R CA 0.122 56.030 56.100 -0.319 0.000 1.044 65 R CB -0.020 29.955 30.300 -0.542 0.000 1.433 65 R HN -0.104 nan 8.270 nan 0.000 0.570 66 I N 1.093 121.615 120.570 -0.080 0.000 2.163 66 I HA -0.192 3.979 4.170 0.001 0.000 0.240 66 I C 2.095 178.377 176.117 0.276 0.000 1.081 66 I CA 1.304 62.691 61.300 0.145 0.000 1.353 66 I CB -0.132 37.832 38.000 -0.061 0.000 1.054 66 I HN 0.210 nan 8.210 nan 0.000 0.407 67 I N 0.801 121.506 120.570 0.225 0.000 2.127 67 I HA -0.206 3.964 4.170 0.001 0.000 0.241 67 I C -0.415 175.785 176.117 0.138 0.000 1.075 67 I CA 1.695 63.115 61.300 0.200 0.000 1.334 67 I CB -1.681 36.417 38.000 0.164 0.000 1.040 67 I HN 0.146 nan 8.210 nan 0.000 0.405 68 P HA -0.229 nan 4.420 nan 0.000 0.217 68 P C 1.659 179.031 177.300 0.121 0.000 1.148 68 P CA 1.525 64.667 63.100 0.070 0.000 0.828 68 P CB -0.161 31.555 31.700 0.027 0.000 0.783 69 F N 0.039 120.025 119.950 0.060 0.000 2.113 69 F HA -0.122 4.405 4.527 0.000 0.000 0.297 69 F C 1.957 177.833 175.800 0.125 0.000 1.103 69 F CA 1.457 59.542 58.000 0.141 0.000 1.248 69 F CB -0.870 38.332 39.000 0.337 0.000 0.999 69 F HN -0.258 nan 8.300 nan 0.000 0.475 70 L N 0.197 121.440 121.223 0.034 0.000 2.156 70 L HA -0.062 4.279 4.340 0.001 0.000 0.208 70 L C 0.809 177.612 176.870 -0.112 0.000 1.095 70 L CA 0.102 54.890 54.840 -0.088 0.000 0.770 70 L CB -0.549 41.587 42.059 0.128 0.000 0.914 70 L HN 0.004 nan 8.230 nan 0.000 0.439 71 L N 0.500 121.695 121.223 -0.048 0.000 2.540 71 L HA 0.007 4.348 4.340 0.001 0.000 0.276 71 L C 1.404 178.226 176.870 -0.080 0.000 1.212 71 L CA 0.757 55.570 54.840 -0.045 0.000 0.893 71 L CB -0.120 41.928 42.059 -0.018 0.000 1.138 71 L HN 0.419 nan 8.230 nan 0.000 0.491 72 G N 1.598 110.360 108.800 -0.064 0.000 2.184 72 G HA2 -0.230 3.730 3.960 0.001 0.000 0.264 72 G HA3 -0.230 3.730 3.960 0.001 0.000 0.264 72 G C 0.389 175.237 174.900 -0.087 0.000 0.975 72 G CA -0.148 44.913 45.100 -0.065 0.000 0.642 72 G HN 0.482 nan 8.290 nan 0.000 0.536 73 K N 0.286 120.614 120.400 -0.120 0.000 2.090 73 K HA 0.429 4.749 4.320 0.001 0.000 0.250 73 K C 0.502 177.062 176.600 -0.068 0.000 1.004 73 K CA -0.554 55.654 56.287 -0.132 0.000 0.919 73 K CB 0.503 32.867 32.500 -0.228 0.000 1.045 73 K HN 0.161 nan 8.250 nan 0.000 0.471 74 Q N 0.978 120.748 119.800 -0.049 0.000 2.296 74 Q HA 0.131 4.471 4.340 0.001 0.000 0.263 74 Q C 0.783 176.780 176.000 -0.005 0.000 1.026 74 Q CA -0.004 55.788 55.803 -0.019 0.000 0.912 74 Q CB 1.198 29.930 28.738 -0.009 0.000 1.198 74 Q HN 0.709 nan 8.270 nan 0.000 0.407 75 A N 3.284 126.106 122.820 0.004 0.000 2.024 75 A HA -0.141 4.179 4.320 0.001 0.000 0.220 75 A C 1.785 179.389 177.584 0.034 0.000 1.164 75 A CA 1.840 53.889 52.037 0.020 0.000 0.643 75 A CB -0.350 18.663 19.000 0.021 0.000 0.806 75 A HN 0.787 nan 8.150 nan 0.000 0.451 76 G N -1.127 107.691 108.800 0.029 0.000 2.534 76 G HA2 0.077 4.038 3.960 0.001 0.000 0.217 76 G HA3 0.077 4.038 3.960 0.001 0.000 0.217 76 G C 0.891 175.815 174.900 0.042 0.000 1.128 76 G CA 0.749 45.871 45.100 0.037 0.000 0.784 76 G HN 0.436 nan 8.290 nan 0.000 0.542 77 S N 0.493 116.215 115.700 0.035 0.000 3.811 77 S HA 0.194 4.664 4.470 0.001 0.000 0.205 77 S C 1.625 176.256 174.600 0.052 0.000 1.445 77 S CA -0.490 57.733 58.200 0.039 0.000 1.097 77 S CB 0.464 63.681 63.200 0.029 0.000 1.350 77 S HN 0.497 nan 8.310 nan 0.000 0.471 78 R N 1.450 121.987 120.500 0.060 0.000 2.066 78 R HA -0.020 4.320 4.340 0.001 0.000 0.232 78 R C 1.686 178.024 176.300 0.064 0.000 1.131 78 R CA 1.228 57.371 56.100 0.072 0.000 0.955 78 R CB -0.245 30.108 30.300 0.088 0.000 0.851 78 R HN 0.467 nan 8.270 nan 0.000 0.432 79 L N -0.023 121.233 121.223 0.055 0.000 2.017 79 L HA -0.178 4.162 4.340 0.001 0.000 0.208 79 L C 2.725 179.612 176.870 0.029 0.000 1.073 79 L CA 1.584 56.448 54.840 0.041 0.000 0.745 79 L CB -0.642 41.439 42.059 0.036 0.000 0.894 79 L HN 0.303 nan 8.230 nan 0.000 0.432 80 S N 0.222 115.942 115.700 0.035 0.000 2.348 80 S HA -0.157 4.313 4.470 0.001 0.000 0.221 80 S C 2.034 176.664 174.600 0.049 0.000 1.033 80 S CA 1.266 59.486 58.200 0.033 0.000 1.010 80 S CB -0.265 62.961 63.200 0.043 0.000 0.891 80 S HN 0.276 nan 8.310 nan 0.000 0.442 81 L N 0.995 122.272 121.223 0.091 0.000 2.042 81 L HA -0.084 4.256 4.340 0.001 0.000 0.210 81 L C 2.534 179.456 176.870 0.086 0.000 1.076 81 L CA 1.160 56.101 54.840 0.168 0.000 0.749 81 L CB -0.672 41.492 42.059 0.174 0.000 0.893 81 L HN 0.247 nan 8.230 nan 0.000 0.432 82 V N -0.281 119.661 119.914 0.046 0.000 2.358 82 V HA -0.270 3.850 4.120 0.001 0.000 0.246 82 V C 2.673 178.727 176.094 -0.067 0.000 1.047 82 V CA 1.752 64.056 62.300 0.006 0.000 1.035 82 V CB -0.667 31.173 31.823 0.028 0.000 0.658 82 V HN 0.454 nan 8.190 nan 0.000 0.452 83 R N 0.558 121.021 120.500 -0.063 0.000 2.113 83 R HA -0.259 4.081 4.340 0.001 0.000 0.244 83 R C 2.503 178.672 176.300 -0.218 0.000 1.142 83 R CA 2.552 58.587 56.100 -0.107 0.000 0.953 83 R CB -0.639 29.618 30.300 -0.071 0.000 0.860 83 R HN 0.688 nan 8.270 nan 0.000 0.438 84 T N -1.312 113.080 114.554 -0.269 0.000 2.812 84 T HA -0.053 4.298 4.350 0.001 0.000 0.264 84 T C 2.027 176.170 174.700 -0.928 0.000 1.042 84 T CA 1.317 63.097 62.100 -0.534 0.000 1.140 84 T CB -0.277 68.287 68.868 -0.508 0.000 0.870 84 T HN 0.290 nan 8.240 nan 0.000 0.445 85 I N 1.254 121.393 120.570 -0.718 0.000 2.394 85 I HA -0.145 4.025 4.170 0.001 0.000 0.251 85 I C 2.992 178.862 176.117 -0.412 0.000 1.136 85 I CA 1.234 62.144 61.300 -0.651 0.000 1.425 85 I CB -0.443 37.429 38.000 -0.214 0.000 1.079 85 I HN 0.312 nan 8.210 nan 0.000 0.425 86 Q N 0.708 120.330 119.800 -0.296 0.000 2.197 86 Q HA -0.264 4.076 4.340 0.001 0.000 0.207 86 Q C 2.017 177.891 176.000 -0.211 0.000 0.984 86 Q CA 1.551 57.241 55.803 -0.189 0.000 0.869 86 Q CB -0.097 28.555 28.738 -0.144 0.000 0.906 86 Q HN 0.454 nan 8.270 nan 0.000 0.426 87 K N -0.974 119.211 120.400 -0.358 0.000 2.283 87 K HA -0.136 4.184 4.320 0.001 0.000 0.202 87 K C 1.313 177.827 176.600 -0.143 0.000 1.048 87 K CA 0.821 56.922 56.287 -0.309 0.000 0.948 87 K CB 0.135 32.376 32.500 -0.432 0.000 0.742 87 K HN 0.334 nan 8.250 nan 0.000 0.458 88 W N -0.812 120.413 121.300 -0.125 0.000 2.699 88 W HA 0.162 4.823 4.660 0.001 0.000 0.265 88 W C 0.845 177.324 176.519 -0.066 0.000 1.210 88 W CA 0.271 57.550 57.345 -0.110 0.000 1.414 88 W CB 0.161 29.534 29.460 -0.144 0.000 1.043 88 W HN 0.003 nan 8.180 nan 0.000 0.599 89 H N 0.434 119.534 119.070 0.049 0.000 3.267 89 H HA 0.070 4.627 4.556 0.001 0.000 0.319 89 H C 0.806 176.088 175.328 -0.077 0.000 1.191 89 H CA -0.030 55.995 56.048 -0.037 0.000 1.562 89 H CB 0.735 30.439 29.762 -0.097 0.000 2.076 89 H HN -0.012 nan 8.280 nan 0.000 0.429 90 Q N 3.618 123.429 119.800 0.018 0.000 2.096 90 Q HA -0.107 4.233 4.340 0.001 0.000 0.204 90 Q C 1.424 177.473 176.000 0.081 0.000 0.982 90 Q CA 1.646 57.447 55.803 -0.002 0.000 0.850 90 Q CB 0.297 28.970 28.738 -0.107 0.000 0.901 90 Q HN 0.535 nan 8.270 nan 0.000 0.422 91 R N -0.233 120.400 120.500 0.222 0.000 2.092 91 R HA -0.077 4.264 4.340 0.001 0.000 0.231 91 R C 2.279 178.654 176.300 0.124 0.000 1.119 91 R CA 1.091 57.304 56.100 0.189 0.000 0.970 91 R CB -0.576 29.887 30.300 0.271 0.000 0.864 91 R HN 0.382 nan 8.270 nan 0.000 0.440 92 A N 1.599 124.435 122.820 0.027 0.000 1.902 92 A HA -0.093 4.228 4.320 0.001 0.000 0.217 92 A C 2.450 180.063 177.584 0.047 0.000 1.181 92 A CA 1.698 53.668 52.037 -0.112 0.000 0.623 92 A CB -0.575 18.022 19.000 -0.673 0.000 0.818 92 A HN 0.360 nan 8.150 nan 0.000 0.443 93 A N 0.478 123.314 122.820 0.026 0.000 1.948 93 A HA -0.180 4.140 4.320 0.001 0.000 0.220 93 A C 2.542 180.160 177.584 0.057 0.000 1.177 93 A CA 2.677 54.732 52.037 0.031 0.000 0.636 93 A CB -1.082 17.912 19.000 -0.011 0.000 0.815 93 A HN 1.073 nan 8.150 nan 0.000 0.449 94 S N 0.239 115.975 115.700 0.060 0.000 2.356 94 S HA -0.015 4.456 4.470 0.001 0.000 0.223 94 S C 2.160 176.791 174.600 0.052 0.000 1.032 94 S CA 1.560 59.788 58.200 0.047 0.000 1.005 94 S CB -0.888 62.338 63.200 0.042 0.000 0.867 94 S HN 1.034 nan 8.310 nan 0.000 0.449 95 A N 1.713 124.602 122.820 0.115 0.000 1.883 95 A HA -0.010 4.310 4.320 0.001 0.000 0.217 95 A C 2.485 180.157 177.584 0.148 0.000 1.186 95 A CA 1.986 54.114 52.037 0.152 0.000 0.624 95 A CB -1.383 17.776 19.000 0.264 0.000 0.822 95 A HN 0.519 nan 8.150 nan 0.000 0.444 96 V N 1.001 121.028 119.914 0.189 0.000 2.332 96 V HA -0.277 3.843 4.120 0.001 0.000 0.248 96 V C 3.029 179.184 176.094 0.101 0.000 1.055 96 V CA 2.490 64.890 62.300 0.168 0.000 1.038 96 V CB -1.107 30.828 31.823 0.187 0.000 0.651 96 V HN 0.854 nan 8.190 nan 0.000 0.450 97 S N -0.336 115.405 115.700 0.069 0.000 2.382 97 S HA -0.242 4.228 4.470 0.001 0.000 0.228 97 S C 1.978 176.579 174.600 0.001 0.000 1.027 97 S CA 1.895 60.123 58.200 0.046 0.000 0.991 97 S CB -0.489 62.733 63.200 0.038 0.000 0.823 97 S HN 0.521 nan 8.310 nan 0.000 0.469 98 M N 1.673 121.218 119.600 -0.092 0.000 2.067 98 M HA 0.005 4.485 4.480 0.001 0.000 0.260 98 M C 2.850 179.158 176.300 0.013 0.000 1.069 98 M CA 1.682 56.821 55.300 -0.270 0.000 1.117 98 M CB -0.853 31.531 32.600 -0.359 0.000 1.334 98 M HN 0.543 nan 8.290 nan 0.000 0.407 99 A N 0.619 123.488 122.820 0.083 0.000 1.908 99 A HA -0.160 4.160 4.320 0.001 0.000 0.218 99 A C 2.098 179.746 177.584 0.108 0.000 1.181 99 A CA 1.588 53.696 52.037 0.118 0.000 0.627 99 A CB -1.111 17.937 19.000 0.079 0.000 0.818 99 A HN 0.484 nan 8.150 nan 0.000 0.445 100 L N -0.918 120.362 121.223 0.095 0.000 2.141 100 L HA -0.142 4.198 4.340 0.001 0.000 0.209 100 L C 2.720 179.660 176.870 0.116 0.000 1.094 100 L CA 1.629 56.526 54.840 0.094 0.000 0.763 100 L CB -0.967 41.145 42.059 0.090 0.000 0.908 100 L HN 0.346 nan 8.230 nan 0.000 0.437 101 T N -0.926 113.716 114.554 0.147 0.000 2.777 101 T HA -0.220 4.130 4.350 0.001 0.000 0.266 101 T C 1.786 176.593 174.700 0.178 0.000 1.040 101 T CA 1.367 63.588 62.100 0.201 0.000 1.141 101 T CB -0.091 68.966 68.868 0.315 0.000 0.868 101 T HN 0.357 nan 8.240 nan 0.000 0.444 102 E N 0.525 120.862 120.200 0.228 0.000 2.058 102 E HA -0.142 4.208 4.350 0.001 0.000 0.194 102 E C 2.136 178.802 176.600 0.109 0.000 0.997 102 E CA 1.098 57.614 56.400 0.193 0.000 0.801 102 E CB -0.242 29.619 29.700 0.267 0.000 0.746 102 E HN 0.474 nan 8.360 nan 0.000 0.450 103 I N 0.886 121.515 120.570 0.098 0.000 2.127 103 I HA -0.321 3.850 4.170 0.001 0.000 0.241 103 I C 2.610 178.756 176.117 0.049 0.000 1.075 103 I CA 1.210 62.548 61.300 0.063 0.000 1.334 103 I CB -0.407 37.625 38.000 0.052 0.000 1.040 103 I HN 0.197 nan 8.210 nan 0.000 0.405 104 A N 0.689 123.544 122.820 0.059 0.000 1.892 104 A HA -0.280 4.040 4.320 0.001 0.000 0.218 104 A C 2.519 180.115 177.584 0.021 0.000 1.188 104 A CA 2.382 54.447 52.037 0.048 0.000 0.631 104 A CB -1.075 17.970 19.000 0.074 0.000 0.822 104 A HN 0.477 nan 8.150 nan 0.000 0.447 105 A N -0.611 122.210 122.820 0.002 0.000 1.877 105 A HA -0.154 4.167 4.320 0.001 0.000 0.216 105 A C 2.128 179.692 177.584 -0.035 0.000 1.186 105 A CA 1.865 53.871 52.037 -0.052 0.000 0.620 105 A CB -0.453 18.477 19.000 -0.116 0.000 0.822 105 A HN 0.555 nan 8.150 nan 0.000 0.443 106 K N -0.363 120.032 120.400 -0.008 0.000 2.026 106 K HA -0.086 4.234 4.320 0.001 0.000 0.208 106 K C 2.259 178.860 176.600 0.002 0.000 1.048 106 K CA 1.235 57.522 56.287 0.001 0.000 0.929 106 K CB -0.323 32.191 32.500 0.023 0.000 0.713 106 K HN 0.439 nan 8.250 nan 0.000 0.439 107 A N 1.083 123.908 122.820 0.009 0.000 1.969 107 A HA -0.044 4.277 4.320 0.001 0.000 0.218 107 A C 2.175 179.761 177.584 0.003 0.000 1.169 107 A CA 1.647 53.689 52.037 0.009 0.000 0.635 107 A CB -0.433 18.576 19.000 0.015 0.000 0.810 107 A HN 0.333 nan 8.150 nan 0.000 0.445 108 A N -1.328 121.491 122.820 -0.002 0.000 2.208 108 A HA 0.257 4.578 4.320 0.001 0.000 0.209 108 A C 0.830 178.403 177.584 -0.017 0.000 1.161 108 A CA 1.077 53.110 52.037 -0.007 0.000 0.782 108 A CB -0.352 18.643 19.000 -0.009 0.000 0.816 108 A HN 0.546 nan 8.150 nan 0.000 0.477 109 D N -1.598 118.790 120.400 -0.019 0.000 2.723 109 D HA -0.161 4.479 4.640 0.001 0.000 0.236 109 D C -0.091 176.185 176.300 -0.041 0.000 1.138 109 D CA 0.944 54.929 54.000 -0.025 0.000 0.676 109 D CB -1.911 38.879 40.800 -0.017 0.000 1.069 109 D HN 0.872 nan 8.370 nan 0.000 0.430 110 C N -1.623 117.641 119.300 -0.061 0.000 3.323 110 C HA 0.893 5.354 4.460 0.001 0.000 0.324 110 C C 0.844 175.752 174.990 -0.136 0.000 1.428 110 C CA -0.243 58.722 59.018 -0.089 0.000 1.368 110 C CB 1.237 28.925 27.740 -0.086 0.000 1.731 110 C HN 0.531 nan 8.230 nan 0.000 0.455 111 S N 0.656 116.245 115.700 -0.185 0.000 2.589 111 S HA 0.305 4.775 4.470 0.001 0.000 0.265 111 S C 0.967 175.314 174.600 -0.421 0.000 1.342 111 S CA 0.157 58.177 58.200 -0.301 0.000 1.005 111 S CB 0.606 63.605 63.200 -0.336 0.000 0.909 111 S HN 1.169 nan 8.310 nan 0.000 0.555 112 V N 0.758 120.288 119.914 -0.639 0.000 2.332 112 V HA -0.216 3.904 4.120 0.001 0.000 0.248 112 V C 2.724 178.188 176.094 -1.050 0.000 1.055 112 V CA 2.109 63.875 62.300 -0.889 0.000 1.038 112 V CB -1.290 29.912 31.823 -1.035 0.000 0.651 112 V HN 1.090 nan 8.190 nan 0.000 0.450 113 C N -0.287 118.495 119.300 -0.863 0.000 2.429 113 C HA -0.162 4.299 4.460 0.001 0.000 0.277 113 C C 2.689 177.553 174.990 -0.210 0.000 1.262 113 C CA 1.083 59.848 59.018 -0.422 0.000 1.733 113 C CB -1.007 26.580 27.740 -0.256 0.000 2.010 113 C HN 0.624 nan 8.230 nan 0.000 0.483 114 E N 0.242 120.297 120.200 -0.242 0.000 2.106 114 E HA -0.211 4.139 4.350 0.001 0.000 0.192 114 E C 1.984 178.529 176.600 -0.091 0.000 0.984 114 E CA 0.849 57.170 56.400 -0.132 0.000 0.806 114 E CB -0.264 29.358 29.700 -0.131 0.000 0.750 114 E HN 0.506 nan 8.360 nan 0.000 0.458 115 L N 0.201 121.319 121.223 -0.175 0.000 2.081 115 L HA -0.181 4.160 4.340 0.001 0.000 0.212 115 L C 1.475 178.415 176.870 0.118 0.000 1.080 115 L CA 1.458 56.248 54.840 -0.083 0.000 0.754 115 L CB -0.211 41.746 42.059 -0.170 0.000 0.893 115 L HN 0.269 nan 8.230 nan 0.000 0.433 116 W N -0.039 121.265 121.300 0.007 0.000 3.180 116 W HA 0.418 5.078 4.660 -0.000 0.000 0.254 116 W C 1.596 178.122 176.519 0.010 0.000 1.318 116 W CA 0.499 57.862 57.345 0.031 0.000 1.608 116 W CB -0.970 28.527 29.460 0.062 0.000 1.124 116 W HN 0.405 nan 8.180 nan 0.000 0.694 117 G N -0.096 108.805 108.800 0.168 0.000 2.135 117 G HA2 0.196 4.156 3.960 0.001 0.000 0.183 117 G HA3 0.196 4.156 3.960 0.001 0.000 0.183 117 G C 0.530 175.429 174.900 -0.001 0.000 1.004 117 G CA -0.168 44.973 45.100 0.068 0.000 0.677 117 G HN 0.842 nan 8.290 nan 0.000 0.512 118 G N -0.675 108.125 108.800 0.000 0.000 2.777 118 G HA2 0.321 4.282 3.960 0.001 0.000 0.686 118 G HA3 0.321 4.282 3.960 0.001 0.000 0.686 118 G C 0.054 174.909 174.900 -0.075 0.000 1.177 118 G CA 0.418 45.484 45.100 -0.057 0.000 0.775 118 G HN 1.803 nan 8.290 nan 0.000 0.613 119 R N 0.721 121.197 120.500 -0.040 0.000 2.679 119 R HA 0.501 4.842 4.340 0.001 0.000 0.269 119 R C 0.358 176.631 176.300 -0.044 0.000 1.076 119 R CA -0.242 55.875 56.100 0.028 0.000 1.160 119 R CB 0.625 30.971 30.300 0.077 0.000 1.054 119 R HN 0.536 nan 8.270 nan 0.000 0.507 120 Y N -0.054 120.299 120.300 0.089 0.000 2.510 120 Y HA 0.115 4.665 4.550 0.000 0.000 0.273 120 Y C 0.682 176.624 175.900 0.070 0.000 1.119 120 Y CA 0.463 58.605 58.100 0.071 0.000 1.286 120 Y CB 0.342 38.846 38.460 0.073 0.000 1.061 120 Y HN 0.598 nan 8.280 nan 0.000 0.542 121 R N -0.125 120.505 120.500 0.218 0.000 2.712 121 R HA 0.248 4.588 4.340 0.001 0.000 0.272 121 R C -0.685 175.684 176.300 0.113 0.000 1.032 121 R CA -0.557 55.634 56.100 0.151 0.000 0.874 121 R CB 0.667 31.063 30.300 0.160 0.000 1.256 121 R HN 0.175 nan 8.270 nan 0.000 0.468 122 E N 0.358 120.599 120.200 0.068 0.000 2.583 122 E HA 0.246 4.596 4.350 0.001 0.000 0.213 122 E C -0.769 175.818 176.600 -0.022 0.000 0.989 122 E CA -0.373 56.059 56.400 0.053 0.000 0.991 122 E CB 0.811 30.547 29.700 0.060 0.000 1.040 122 E HN 0.575 nan 8.360 nan 0.000 0.481 123 E N 1.198 121.350 120.200 -0.080 0.000 2.256 123 E HA 0.406 4.757 4.350 0.001 0.000 0.268 123 E C -1.022 175.517 176.600 -0.102 0.000 0.877 123 E CA -0.847 55.414 56.400 -0.233 0.000 0.757 123 E CB 2.131 31.619 29.700 -0.353 0.000 1.183 123 E HN 0.124 nan 8.360 nan 0.000 0.418 124 I N 3.645 124.161 120.570 -0.090 0.000 2.466 124 I HA 0.314 4.484 4.170 0.001 0.000 0.289 124 I C -2.462 173.645 176.117 -0.018 0.000 1.026 124 I CA -2.767 58.531 61.300 -0.005 0.000 1.078 124 I CB 1.515 39.553 38.000 0.064 0.000 1.249 124 I HN 0.209 nan 8.210 nan 0.000 0.429 125 P HA 0.259 nan 4.420 nan 0.000 0.275 125 P C -0.657 176.703 177.300 0.101 0.000 1.228 125 P CA -0.080 63.043 63.100 0.039 0.000 0.786 125 P CB 1.125 32.870 31.700 0.074 0.000 0.927 126 V N 0.606 120.578 119.914 0.097 0.000 2.876 126 V HA 0.689 4.809 4.120 0.001 0.000 0.312 126 V C -0.972 175.302 176.094 0.301 0.000 1.085 126 V CA -1.291 61.109 62.300 0.167 0.000 0.945 126 V CB 1.518 33.417 31.823 0.126 0.000 1.017 126 V HN 0.557 nan 8.190 nan 0.000 0.428 127 Y N 1.865 122.322 120.300 0.262 0.000 2.387 127 Y HA 0.923 5.473 4.550 0.000 0.000 0.336 127 Y C 0.216 176.185 175.900 0.114 0.000 1.067 127 Y CA -0.898 57.326 58.100 0.207 0.000 1.114 127 Y CB 1.444 39.956 38.460 0.086 0.000 1.208 127 Y HN 1.021 nan 8.280 nan 0.000 0.458 128 A N 2.752 125.566 122.820 -0.010 0.000 2.404 128 A HA 0.414 4.734 4.320 0.001 0.000 0.273 128 A C -0.010 177.394 177.584 -0.300 0.000 1.144 128 A CA -0.342 51.341 52.037 -0.590 0.000 0.806 128 A CB -0.146 18.117 19.000 -1.228 0.000 1.080 128 A HN 0.741 nan 8.150 nan 0.000 0.509 129 S N 2.657 118.156 115.700 -0.335 0.000 2.438 129 S HA 0.679 5.149 4.470 0.001 0.000 0.316 129 S C -0.866 173.590 174.600 -0.241 0.000 1.084 129 S CA -0.407 57.755 58.200 -0.063 0.000 1.107 129 S CB -0.303 62.961 63.200 0.107 0.000 0.981 129 S HN 0.404 nan 8.310 nan 0.000 0.466 130 F N 2.726 122.680 119.950 0.006 0.000 2.450 130 F HA 0.449 4.977 4.527 0.001 0.000 0.332 130 F C 0.800 176.542 175.800 -0.097 0.000 1.093 130 F CA -0.804 57.162 58.000 -0.057 0.000 1.003 130 F CB 1.418 40.378 39.000 -0.067 0.000 1.151 130 F HN 0.325 nan 8.300 nan 0.000 0.474 131 Q N 2.067 121.883 119.800 0.028 0.000 2.571 131 Q HA 0.194 4.535 4.340 0.001 0.000 0.222 131 Q C 0.602 176.642 176.000 0.067 0.000 1.167 131 Q CA -0.066 55.733 55.803 -0.007 0.000 0.966 131 Q CB 1.165 29.916 28.738 0.021 0.000 1.274 131 Q HN 0.735 nan 8.270 nan 0.000 0.552 132 S N 0.895 116.585 115.700 -0.017 0.000 2.423 132 S HA -0.055 4.415 4.470 0.001 0.000 0.231 132 S C 0.333 174.907 174.600 -0.043 0.000 1.014 132 S CA 0.783 58.956 58.200 -0.044 0.000 0.965 132 S CB -0.075 63.065 63.200 -0.100 0.000 0.785 132 S HN 0.465 nan 8.310 nan 0.000 0.495 133 Y N 2.709 123.047 120.300 0.064 0.000 2.319 133 Y HA 0.447 4.997 4.550 0.001 0.000 0.328 133 Y C 0.929 176.991 175.900 0.269 0.000 1.133 133 Y CA -1.015 57.068 58.100 -0.029 0.000 1.265 133 Y CB 0.519 38.839 38.460 -0.234 0.000 1.218 133 Y HN 0.073 nan 8.280 nan 0.000 0.508 134 S N -0.078 115.865 115.700 0.405 0.000 2.667 134 S HA 0.350 4.820 4.470 0.001 0.000 0.292 134 S C -0.939 173.632 174.600 -0.048 0.000 1.126 134 S CA -1.119 57.188 58.200 0.179 0.000 0.881 134 S CB 1.842 65.145 63.200 0.172 0.000 1.132 134 S HN 0.528 nan 8.310 nan 0.000 0.492 135 D N 1.174 121.299 120.400 -0.459 0.000 2.713 135 D HA 0.467 5.107 4.640 0.001 0.000 0.229 135 D C -0.579 175.664 176.300 -0.095 0.000 1.136 135 D CA 0.409 54.141 54.000 -0.448 0.000 1.010 135 D CB -0.366 40.020 40.800 -0.690 0.000 1.084 135 D HN 0.549 nan 8.370 nan 0.000 0.495 136 S N 1.149 116.891 115.700 0.070 0.000 2.537 136 S HA 0.452 4.922 4.470 0.001 0.000 0.270 136 S C -2.223 172.518 174.600 0.235 0.000 1.142 136 S CA -1.189 57.086 58.200 0.125 0.000 0.870 136 S CB 1.622 64.889 63.200 0.113 0.000 1.112 136 S HN -0.068 nan 8.310 nan 0.000 0.466 137 P HA 0.007 nan 4.420 nan 0.000 0.222 137 P C 0.511 177.902 177.300 0.152 0.000 1.147 137 P CA 0.902 64.113 63.100 0.186 0.000 0.790 137 P CB 0.158 31.918 31.700 0.101 0.000 0.780 138 Q N -1.086 118.780 119.800 0.111 0.000 2.212 138 Q HA 0.022 4.363 4.340 0.001 0.000 0.213 138 Q C 1.403 177.412 176.000 0.015 0.000 0.874 138 Q CA -0.070 55.745 55.803 0.019 0.000 0.965 138 Q CB -0.488 28.261 28.738 0.017 0.000 1.074 138 Q HN 0.597 nan 8.270 nan 0.000 0.473 139 W N -0.141 121.169 121.300 0.018 0.000 2.342 139 W HA -0.180 4.481 4.660 0.001 0.000 0.297 139 W C 1.053 177.540 176.519 -0.053 0.000 1.213 139 W CA 0.536 57.887 57.345 0.009 0.000 1.251 139 W CB -0.898 28.605 29.460 0.073 0.000 1.136 139 W HN 0.065 nan 8.180 nan 0.000 0.526 140 I N 2.544 122.508 120.570 -1.009 0.000 2.179 140 I HA -0.333 3.838 4.170 0.001 0.000 0.242 140 I C 3.012 178.930 176.117 -0.331 0.000 1.088 140 I CA 2.431 63.203 61.300 -0.879 0.000 1.357 140 I CB -0.866 36.603 38.000 -0.885 0.000 1.051 140 I HN 0.032 nan 8.210 nan 0.000 0.409 141 S N 1.212 116.775 115.700 -0.229 0.000 2.382 141 S HA -0.182 4.288 4.470 0.001 0.000 0.228 141 S C 2.076 176.636 174.600 -0.067 0.000 1.027 141 S CA 0.860 58.991 58.200 -0.115 0.000 0.991 141 S CB -0.518 62.633 63.200 -0.081 0.000 0.823 141 S HN 0.398 nan 8.310 nan 0.000 0.469 142 R N 1.056 121.534 120.500 -0.038 0.000 2.075 142 R HA 0.006 4.346 4.340 0.001 0.000 0.232 142 R C 2.861 179.165 176.300 0.007 0.000 1.126 142 R CA 1.324 57.431 56.100 0.012 0.000 0.963 142 R CB -0.731 29.608 30.300 0.064 0.000 0.858 142 R HN 0.552 nan 8.270 nan 0.000 0.435 143 S N 0.542 116.239 115.700 -0.005 0.000 2.348 143 S HA -0.127 4.344 4.470 0.001 0.000 0.221 143 S C 2.104 176.647 174.600 -0.096 0.000 1.033 143 S CA 1.469 59.656 58.200 -0.022 0.000 1.010 143 S CB -0.233 62.977 63.200 0.018 0.000 0.891 143 S HN 0.121 nan 8.310 nan 0.000 0.442 144 V N 1.614 121.482 119.914 -0.078 0.000 2.278 144 V HA -0.192 3.928 4.120 0.001 0.000 0.251 144 V C 2.757 178.796 176.094 -0.092 0.000 1.062 144 V CA 2.380 64.619 62.300 -0.103 0.000 1.038 144 V CB -1.233 30.541 31.823 -0.081 0.000 0.646 144 V HN 0.518 nan 8.190 nan 0.000 0.447 145 S N 0.148 115.815 115.700 -0.054 0.000 2.356 145 S HA -0.195 4.276 4.470 0.001 0.000 0.223 145 S C 1.882 176.476 174.600 -0.010 0.000 1.032 145 S CA 1.603 59.789 58.200 -0.024 0.000 1.005 145 S CB -0.500 62.698 63.200 -0.004 0.000 0.867 145 S HN 0.630 nan 8.310 nan 0.000 0.449 146 N N 1.257 119.952 118.700 -0.008 0.000 2.069 146 N HA -0.062 4.678 4.740 0.001 0.000 0.191 146 N C 1.724 177.260 175.510 0.044 0.000 1.031 146 N CA 0.974 54.061 53.050 0.060 0.000 0.852 146 N CB -0.830 37.725 38.487 0.115 0.000 1.018 146 N HN 0.192 nan 8.380 nan 0.000 0.423 147 V N 1.669 121.430 119.914 -0.254 0.000 2.343 147 V HA -0.184 3.936 4.120 0.001 0.000 0.247 147 V C 2.065 178.118 176.094 -0.067 0.000 1.051 147 V CA 1.484 63.556 62.300 -0.381 0.000 1.036 147 V CB -0.472 30.983 31.823 -0.615 0.000 0.654 147 V HN 0.335 nan 8.190 nan 0.000 0.451 148 E N 0.383 120.548 120.200 -0.059 0.000 2.058 148 E HA -0.255 4.095 4.350 0.001 0.000 0.194 148 E C 2.355 178.981 176.600 0.042 0.000 0.997 148 E CA 1.416 57.811 56.400 -0.009 0.000 0.801 148 E CB -0.387 29.303 29.700 -0.018 0.000 0.746 148 E HN 0.601 nan 8.360 nan 0.000 0.450 149 A N 1.332 124.188 122.820 0.059 0.000 1.917 149 A HA -0.251 4.069 4.320 0.001 0.000 0.219 149 A C 2.112 179.773 177.584 0.127 0.000 1.182 149 A CA 1.477 53.565 52.037 0.085 0.000 0.633 149 A CB -0.321 18.732 19.000 0.088 0.000 0.819 149 A HN 0.141 nan 8.150 nan 0.000 0.448 150 Q N -0.507 119.401 119.800 0.180 0.000 2.212 150 Q HA 0.090 4.431 4.340 0.001 0.000 0.199 150 Q C 2.145 178.322 176.000 0.296 0.000 0.950 150 Q CA 0.726 56.670 55.803 0.236 0.000 0.863 150 Q CB -0.391 28.443 28.738 0.160 0.000 0.944 150 Q HN 0.731 nan 8.270 nan 0.000 0.465 151 L N 0.861 122.201 121.223 0.195 0.000 2.083 151 L HA -0.191 4.150 4.340 0.001 0.000 0.209 151 L C 2.226 179.167 176.870 0.119 0.000 1.083 151 L CA 0.986 55.920 54.840 0.156 0.000 0.752 151 L CB -0.481 41.625 42.059 0.078 0.000 0.899 151 L HN 0.092 nan 8.230 nan 0.000 0.433 152 K N 0.846 121.304 120.400 0.097 0.000 2.152 152 K HA -0.176 4.145 4.320 0.001 0.000 0.206 152 K C 1.805 178.442 176.600 0.061 0.000 1.048 152 K CA 1.336 57.661 56.287 0.064 0.000 0.933 152 K CB -0.294 32.237 32.500 0.053 0.000 0.721 152 K HN 0.417 nan 8.250 nan 0.000 0.447 153 K N -0.422 120.042 120.400 0.107 0.000 2.525 153 K HA 0.009 4.329 4.320 0.001 0.000 0.192 153 K C 0.913 177.486 176.600 -0.045 0.000 1.029 153 K CA 0.593 56.914 56.287 0.057 0.000 1.029 153 K CB 0.191 32.779 32.500 0.146 0.000 0.814 153 K HN 0.363 nan 8.250 nan 0.000 0.503 154 G N 1.202 110.009 108.800 0.011 0.000 2.157 154 G HA2 -0.246 3.715 3.960 0.001 0.000 0.239 154 G HA3 -0.246 3.715 3.960 0.001 0.000 0.239 154 G C -0.085 174.772 174.900 -0.071 0.000 0.982 154 G CA -0.603 44.466 45.100 -0.051 0.000 0.650 154 G HN 0.171 nan 8.290 nan 0.000 0.527 155 F N 1.197 121.138 119.950 -0.015 0.000 2.578 155 F HA 0.399 4.927 4.527 0.001 0.000 0.376 155 F C 1.583 177.391 175.800 0.014 0.000 1.085 155 F CA 0.823 58.823 58.000 -0.001 0.000 1.260 155 F CB 0.748 39.765 39.000 0.028 0.000 1.095 155 F HN 0.182 nan 8.300 nan 0.000 0.573 156 E N 1.020 121.335 120.200 0.191 0.000 2.473 156 E HA 0.083 4.433 4.350 0.001 0.000 0.204 156 E C -0.323 176.337 176.600 0.100 0.000 0.994 156 E CA 0.114 56.580 56.400 0.109 0.000 0.945 156 E CB 0.457 30.192 29.700 0.058 0.000 0.990 156 E HN 0.624 nan 8.360 nan 0.000 0.493 157 Q N 1.100 120.997 119.800 0.162 0.000 2.356 157 Q HA 0.558 4.898 4.340 0.001 0.000 0.270 157 Q C -0.621 175.464 176.000 0.142 0.000 1.058 157 Q CA -0.596 55.266 55.803 0.099 0.000 0.802 157 Q CB 2.868 31.676 28.738 0.117 0.000 1.303 157 Q HN 0.119 nan 8.270 nan 0.000 0.444 158 I N -2.018 118.567 120.570 0.025 0.000 2.969 158 I HA 0.705 4.875 4.170 0.001 0.000 0.307 158 I C -1.444 174.649 176.117 -0.041 0.000 1.149 158 I CA -1.097 60.267 61.300 0.107 0.000 1.008 158 I CB 2.581 40.685 38.000 0.173 0.000 1.232 158 I HN 0.405 nan 8.210 nan 0.000 0.435 159 K N 3.984 124.458 120.400 0.124 0.000 2.397 159 K HA 0.747 5.067 4.320 0.001 0.000 0.253 159 K C -1.295 175.386 176.600 0.135 0.000 0.932 159 K CA -0.638 55.648 56.287 -0.002 0.000 0.795 159 K CB 2.265 34.771 32.500 0.009 0.000 1.159 159 K HN 0.719 nan 8.250 nan 0.000 0.424 160 V N -0.166 119.740 119.914 -0.013 0.000 3.141 160 V HA 0.661 4.781 4.120 0.001 0.000 0.312 160 V C -1.205 174.853 176.094 -0.059 0.000 1.157 160 V CA -1.161 61.137 62.300 -0.004 0.000 1.041 160 V CB 1.814 33.582 31.823 -0.093 0.000 1.071 160 V HN 0.555 nan 8.190 nan 0.000 0.441 161 K N 2.134 122.480 120.400 -0.090 0.000 2.123 161 K HA 0.761 5.081 4.320 0.001 0.000 0.259 161 K C -0.433 176.097 176.600 -0.116 0.000 0.960 161 K CA -0.233 55.965 56.287 -0.148 0.000 0.872 161 K CB 1.829 34.182 32.500 -0.245 0.000 1.079 161 K HN 0.973 nan 8.250 nan 0.000 0.440 162 I N -4.244 116.325 120.570 -0.001 0.000 3.264 162 I HA 0.708 4.879 4.170 0.001 0.000 0.315 162 I C 0.719 176.938 176.117 0.171 0.000 1.154 162 I CA -0.682 60.725 61.300 0.177 0.000 0.962 162 I CB 2.189 40.230 38.000 0.069 0.000 1.265 162 I HN 0.605 nan 8.210 nan 0.000 0.463 163 G N 0.944 109.912 108.800 0.280 0.000 2.179 163 G HA2 -0.214 3.747 3.960 0.001 0.000 0.260 163 G HA3 -0.214 3.747 3.960 0.001 0.000 0.260 163 G C 0.830 175.739 174.900 0.015 0.000 0.977 163 G CA 0.429 45.533 45.100 0.007 0.000 0.641 163 G HN 1.410 nan 8.290 nan 0.000 0.533 164 G N -1.336 107.481 108.800 0.028 0.000 2.683 164 G HA2 0.430 4.391 3.960 0.001 0.000 0.213 164 G HA3 0.430 4.391 3.960 0.001 0.000 0.213 164 G C 0.600 175.265 174.900 -0.393 0.000 1.142 164 G CA 1.943 46.809 45.100 -0.390 0.000 0.793 164 G HN 1.082 nan 8.290 nan 0.000 0.534 165 T N -0.835 113.640 114.554 -0.130 0.000 2.696 165 T HA 0.476 4.827 4.350 0.001 0.000 0.291 165 T C 0.105 174.896 174.700 0.151 0.000 1.095 165 T CA 0.235 62.315 62.100 -0.034 0.000 1.026 165 T CB 1.094 69.939 68.868 -0.039 0.000 1.390 165 T HN 0.302 nan 8.240 nan 0.000 0.513 166 S N 0.938 116.728 115.700 0.149 0.000 2.563 166 S HA 0.142 4.612 4.470 0.001 0.000 0.284 166 S C 1.207 175.958 174.600 0.252 0.000 1.331 166 S CA -0.279 58.035 58.200 0.190 0.000 1.047 166 S CB -0.092 63.190 63.200 0.137 0.000 0.859 166 S HN 0.650 nan 8.310 nan 0.000 0.514 167 F N 2.672 122.679 119.950 0.095 0.000 2.063 167 F HA -0.198 4.329 4.527 0.001 0.000 0.298 167 F C 2.416 178.167 175.800 -0.082 0.000 1.109 167 F CA 2.429 60.412 58.000 -0.028 0.000 1.212 167 F CB -0.459 38.425 39.000 -0.193 0.000 0.973 167 F HN 0.828 nan 8.300 nan 0.000 0.480 168 K N 0.107 120.491 120.400 -0.027 0.000 2.074 168 K HA -0.290 4.031 4.320 0.001 0.000 0.209 168 K C 2.277 178.815 176.600 -0.103 0.000 1.048 168 K CA 2.015 58.230 56.287 -0.121 0.000 0.926 168 K CB -0.412 32.103 32.500 0.026 0.000 0.713 168 K HN 0.551 nan 8.250 nan 0.000 0.444 169 E N 0.091 120.317 120.200 0.043 0.000 2.072 169 E HA -0.183 4.167 4.350 0.001 0.000 0.190 169 E C 1.465 178.210 176.600 0.241 0.000 0.982 169 E CA 1.297 57.788 56.400 0.152 0.000 0.803 169 E CB 0.069 29.924 29.700 0.259 0.000 0.755 169 E HN 0.286 nan 8.360 nan 0.000 0.453 170 D N 0.177 120.749 120.400 0.286 0.000 2.123 170 D HA -0.158 4.483 4.640 0.001 0.000 0.196 170 D C 2.039 178.483 176.300 0.240 0.000 0.992 170 D CA 1.004 55.270 54.000 0.442 0.000 0.833 170 D CB -0.185 40.983 40.800 0.613 0.000 0.954 170 D HN 0.100 nan 8.370 nan 0.000 0.455 171 V N 1.108 120.876 119.914 -0.242 0.000 2.332 171 V HA -0.245 3.875 4.120 0.001 0.000 0.248 171 V C 2.528 178.499 176.094 -0.205 0.000 1.055 171 V CA 1.540 63.545 62.300 -0.492 0.000 1.038 171 V CB -0.326 30.831 31.823 -1.110 0.000 0.651 171 V HN 0.174 nan 8.190 nan 0.000 0.450 172 R N -0.840 119.590 120.500 -0.116 0.000 2.091 172 R HA -0.219 4.121 4.340 0.001 0.000 0.238 172 R C 2.342 178.626 176.300 -0.026 0.000 1.136 172 R CA 1.949 58.017 56.100 -0.053 0.000 0.959 172 R CB -0.581 29.697 30.300 -0.036 0.000 0.856 172 R HN 0.665 nan 8.270 nan 0.000 0.437 173 H N 1.201 120.211 119.070 -0.100 0.000 2.293 173 H HA -0.068 4.489 4.556 0.001 0.000 0.300 173 H C 1.853 177.110 175.328 -0.118 0.000 1.082 173 H CA 1.634 57.586 56.048 -0.159 0.000 1.308 173 H CB -0.118 29.617 29.762 -0.044 0.000 1.375 173 H HN -0.018 nan 8.280 nan 0.000 0.495 174 I N 0.941 121.367 120.570 -0.241 0.000 2.226 174 I HA -0.242 3.928 4.170 0.001 0.000 0.245 174 I C 1.934 177.838 176.117 -0.354 0.000 1.100 174 I CA 1.006 62.093 61.300 -0.356 0.000 1.374 174 I CB -1.316 36.642 38.000 -0.069 0.000 1.057 174 I HN 0.333 nan 8.210 nan 0.000 0.413 175 N N 1.455 120.045 118.700 -0.183 0.000 2.061 175 N HA -0.159 4.581 4.740 0.001 0.000 0.193 175 N C 1.940 177.245 175.510 -0.342 0.000 1.030 175 N CA 1.864 54.785 53.050 -0.215 0.000 0.856 175 N CB -0.339 38.144 38.487 -0.007 0.000 1.023 175 N HN 0.401 nan 8.380 nan 0.000 0.424 176 A N 0.980 123.715 122.820 -0.141 0.000 1.902 176 A HA -0.067 4.254 4.320 0.001 0.000 0.217 176 A C 2.415 179.908 177.584 -0.151 0.000 1.181 176 A CA 0.960 52.965 52.037 -0.054 0.000 0.623 176 A CB -0.689 18.277 19.000 -0.056 0.000 0.818 176 A HN 0.239 nan 8.150 nan 0.000 0.443 177 L N -0.971 120.084 121.223 -0.279 0.000 2.056 177 L HA -0.198 4.142 4.340 0.001 0.000 0.207 177 L C 2.912 179.582 176.870 -0.333 0.000 1.078 177 L CA 1.109 55.759 54.840 -0.316 0.000 0.749 177 L CB -0.580 41.216 42.059 -0.439 0.000 0.901 177 L HN 0.395 nan 8.230 nan 0.000 0.433 178 Q N -0.212 119.309 119.800 -0.465 0.000 2.096 178 Q HA -0.241 4.099 4.340 0.001 0.000 0.204 178 Q C 2.069 177.883 176.000 -0.309 0.000 0.982 178 Q CA 1.892 57.403 55.803 -0.488 0.000 0.850 178 Q CB -0.445 27.895 28.738 -0.665 0.000 0.901 178 Q HN 0.674 nan 8.270 nan 0.000 0.422 179 H N -0.981 118.024 119.070 -0.107 0.000 2.428 179 H HA -0.015 4.541 4.556 0.001 0.000 0.296 179 H C 2.038 177.327 175.328 -0.066 0.000 1.062 179 H CA 1.414 57.425 56.048 -0.061 0.000 1.350 179 H CB 0.320 30.057 29.762 -0.041 0.000 1.403 179 H HN 0.188 nan 8.280 nan 0.000 0.533 180 T N 0.084 114.641 114.554 0.006 0.000 2.781 180 T HA -0.015 4.335 4.350 0.001 0.000 0.252 180 T C 2.418 177.090 174.700 -0.047 0.000 1.039 180 T CA 0.875 62.961 62.100 -0.024 0.000 1.147 180 T CB -0.414 68.422 68.868 -0.052 0.000 0.865 180 T HN 0.426 nan 8.240 nan 0.000 0.423 181 A N 1.098 123.862 122.820 -0.093 0.000 1.898 181 A HA 0.437 4.758 4.320 0.001 0.000 0.216 181 A C 1.583 179.126 177.584 -0.068 0.000 1.181 181 A CA 1.317 53.300 52.037 -0.089 0.000 0.620 181 A CB -1.294 17.624 19.000 -0.137 0.000 0.819 181 A HN 1.019 nan 8.150 nan 0.000 0.442 182 G N -1.722 107.031 108.800 -0.078 0.000 2.828 182 G HA2 -0.077 3.883 3.960 0.001 0.000 0.463 182 G HA3 -0.077 3.883 3.960 0.001 0.000 0.463 182 G C 0.647 175.509 174.900 -0.064 0.000 1.394 182 G CA 0.563 45.634 45.100 -0.048 0.000 0.862 182 G HN 1.520 nan 8.290 nan 0.000 0.540 183 S N -1.242 114.439 115.700 -0.031 0.000 2.561 183 S HA 0.123 4.593 4.470 0.001 0.000 0.225 183 S C 2.279 176.869 174.600 -0.017 0.000 0.977 183 S CA 1.544 59.729 58.200 -0.025 0.000 0.926 183 S CB -0.086 63.124 63.200 0.016 0.000 0.769 183 S HN 2.154 nan 8.310 nan 0.000 0.533 184 S N 0.833 116.525 115.700 -0.014 0.000 2.527 184 S HA 0.269 4.740 4.470 0.001 0.000 0.222 184 S C 0.548 175.141 174.600 -0.011 0.000 0.985 184 S CA -0.379 57.819 58.200 -0.005 0.000 0.921 184 S CB -0.490 62.712 63.200 0.003 0.000 0.772 184 S HN 0.377 nan 8.310 nan 0.000 0.529 185 I N 3.182 123.733 120.570 -0.031 0.000 2.342 185 I HA 0.308 4.479 4.170 0.001 0.000 0.291 185 I C 0.187 176.261 176.117 -0.073 0.000 1.010 185 I CA -0.278 60.999 61.300 -0.039 0.000 1.308 185 I CB 0.532 38.498 38.000 -0.055 0.000 1.400 185 I HN 0.042 nan 8.210 nan 0.000 0.488 186 T N 7.966 122.480 114.554 -0.066 0.000 2.832 186 T HA 0.390 4.740 4.350 0.001 0.000 0.296 186 T C 0.098 174.687 174.700 -0.184 0.000 0.968 186 T CA -0.244 61.788 62.100 -0.113 0.000 1.107 186 T CB 0.609 69.424 68.868 -0.088 0.000 0.916 186 T HN 0.473 nan 8.240 nan 0.000 0.517 187 M N 4.542 123.997 119.600 -0.243 0.000 2.294 187 M HA 0.582 5.062 4.480 0.001 0.000 0.335 187 M C -1.481 174.581 176.300 -0.395 0.000 1.079 187 M CA -0.704 54.414 55.300 -0.303 0.000 0.982 187 M CB 0.848 33.250 32.600 -0.329 0.000 1.651 187 M HN 0.522 nan 8.290 nan 0.000 0.437 188 I N 5.423 125.699 120.570 -0.490 0.000 2.441 188 I HA 0.406 4.577 4.170 0.001 0.000 0.295 188 I C -1.116 174.754 176.117 -0.412 0.000 0.994 188 I CA -0.689 60.208 61.300 -0.673 0.000 1.144 188 I CB 1.785 39.095 38.000 -1.150 0.000 1.314 188 I HN 0.608 nan 8.210 nan 0.000 0.445 189 L N 5.029 126.061 121.223 -0.318 0.000 2.305 189 L HA 0.453 4.793 4.340 0.001 0.000 0.284 189 L C -0.890 175.899 176.870 -0.135 0.000 1.013 189 L CA -0.543 54.161 54.840 -0.226 0.000 0.819 189 L CB 1.519 43.420 42.059 -0.264 0.000 1.227 189 L HN 0.504 nan 8.230 nan 0.000 0.417 190 D N 2.315 122.657 120.400 -0.096 0.000 2.392 190 D HA 0.424 5.064 4.640 0.001 0.000 0.228 190 D C 0.431 176.700 176.300 -0.052 0.000 1.074 190 D CA -0.327 53.661 54.000 -0.020 0.000 0.838 190 D CB 2.251 43.065 40.800 0.023 0.000 1.067 190 D HN 0.580 nan 8.370 nan 0.000 0.511 191 A N 3.793 126.574 122.820 -0.064 0.000 2.178 191 A HA 0.061 4.381 4.320 0.001 0.000 0.211 191 A C 0.841 178.332 177.584 -0.155 0.000 1.157 191 A CA 0.055 51.981 52.037 -0.185 0.000 0.780 191 A CB -0.644 18.163 19.000 -0.320 0.000 0.828 191 A HN 0.791 nan 8.150 nan 0.000 0.476 192 N N 0.124 118.793 118.700 -0.052 0.000 2.707 192 N HA -0.256 4.485 4.740 0.001 0.000 0.253 192 N C -0.163 175.319 175.510 -0.046 0.000 0.998 192 N CA 0.870 53.902 53.050 -0.029 0.000 0.751 192 N CB -1.466 36.999 38.487 -0.036 0.000 0.920 192 N HN 0.688 nan 8.380 nan 0.000 0.539 193 Q N -3.185 116.594 119.800 -0.036 0.000 2.494 193 Q HA -0.315 4.025 4.340 0.001 0.000 0.266 193 Q C 1.029 176.983 176.000 -0.078 0.000 1.053 193 Q CA 0.886 56.673 55.803 -0.027 0.000 1.029 193 Q CB -1.789 26.969 28.738 0.033 0.000 1.423 193 Q HN 0.583 nan 8.270 nan 0.000 0.516 194 S N -0.960 114.619 115.700 -0.200 0.000 2.383 194 S HA -0.058 4.412 4.470 0.001 0.000 0.227 194 S C 0.446 175.021 174.600 -0.042 0.000 1.026 194 S CA 0.830 58.904 58.200 -0.210 0.000 0.981 194 S CB 0.173 63.109 63.200 -0.440 0.000 0.818 194 S HN 0.409 nan 8.310 nan 0.000 0.472 195 Y N 2.075 122.397 120.300 0.036 0.000 2.458 195 Y HA 0.483 5.033 4.550 0.001 0.000 0.322 195 Y C 0.425 176.315 175.900 -0.016 0.000 1.259 195 Y CA -2.340 55.780 58.100 0.034 0.000 1.302 195 Y CB 0.284 38.788 38.460 0.074 0.000 1.314 195 Y HN 0.280 nan 8.280 nan 0.000 0.509 196 D N -0.715 119.790 120.400 0.176 0.000 2.487 196 D HA 0.469 5.109 4.640 0.001 0.000 0.262 196 D C 0.851 177.164 176.300 0.023 0.000 1.130 196 D CA -0.370 53.660 54.000 0.050 0.000 1.038 196 D CB 0.665 41.476 40.800 0.018 0.000 1.142 196 D HN 0.531 nan 8.370 nan 0.000 0.575 197 A N 0.174 122.975 122.820 -0.031 0.000 1.892 197 A HA -0.044 4.277 4.320 0.001 0.000 0.218 197 A C 2.155 179.742 177.584 0.004 0.000 1.188 197 A CA 2.925 54.942 52.037 -0.034 0.000 0.631 197 A CB -1.433 17.525 19.000 -0.070 0.000 0.822 197 A HN 0.720 nan 8.150 nan 0.000 0.447 198 A N -0.444 122.360 122.820 -0.027 0.000 1.898 198 A HA 0.209 4.529 4.320 0.001 0.000 0.216 198 A C 2.505 180.052 177.584 -0.063 0.000 1.181 198 A CA 2.019 54.038 52.037 -0.030 0.000 0.620 198 A CB -0.972 17.993 19.000 -0.059 0.000 0.819 198 A HN 1.068 nan 8.150 nan 0.000 0.442 199 A N -0.048 122.699 122.820 -0.122 0.000 1.898 199 A HA 0.178 4.499 4.320 0.001 0.000 0.216 199 A C 2.513 179.808 177.584 -0.482 0.000 1.181 199 A CA 2.032 53.878 52.037 -0.318 0.000 0.620 199 A CB -1.054 17.780 19.000 -0.276 0.000 0.819 199 A HN 1.048 nan 8.150 nan 0.000 0.442 200 A N -1.280 121.387 122.820 -0.254 0.000 1.908 200 A HA -0.114 4.206 4.320 0.001 0.000 0.218 200 A C 2.033 179.717 177.584 0.166 0.000 1.181 200 A CA 1.681 53.736 52.037 0.030 0.000 0.627 200 A CB -0.752 18.377 19.000 0.215 0.000 0.818 200 A HN 0.652 nan 8.150 nan 0.000 0.445 201 F N 0.797 120.725 119.950 -0.036 0.000 2.269 201 F HA -0.099 4.428 4.527 0.000 0.000 0.301 201 F C 1.976 177.711 175.800 -0.109 0.000 1.082 201 F CA 1.667 59.656 58.000 -0.019 0.000 1.360 201 F CB -0.155 38.814 39.000 -0.052 0.000 1.041 201 F HN 0.162 nan 8.300 nan 0.000 0.512 202 K N -1.028 119.183 120.400 -0.315 0.000 2.218 202 K HA -0.244 4.077 4.320 0.001 0.000 0.205 202 K C 1.669 177.933 176.600 -0.561 0.000 1.046 202 K CA 1.863 57.745 56.287 -0.674 0.000 0.933 202 K CB -0.531 31.169 32.500 -1.334 0.000 0.728 202 K HN 0.391 nan 8.250 nan 0.000 0.454 203 W N 1.306 122.406 121.300 -0.334 0.000 2.519 203 W HA -0.101 4.559 4.660 0.001 0.000 0.266 203 W C 2.120 178.156 176.519 -0.805 0.000 1.253 203 W CA 0.553 57.655 57.345 -0.405 0.000 1.274 203 W CB -0.062 29.035 29.460 -0.604 0.000 1.114 203 W HN 0.129 nan 8.180 nan 0.000 0.596 204 E N 1.532 121.428 120.200 -0.506 0.000 2.130 204 E HA -0.256 4.095 4.350 0.001 0.000 0.196 204 E C 2.137 178.528 176.600 -0.349 0.000 0.998 204 E CA 2.042 58.196 56.400 -0.410 0.000 0.806 204 E CB -0.272 28.884 29.700 -0.906 0.000 0.738 204 E HN 0.424 nan 8.360 nan 0.000 0.459 205 R N -1.054 119.174 120.500 -0.454 0.000 2.096 205 R HA -0.177 4.164 4.340 0.001 0.000 0.235 205 R C 2.018 177.933 176.300 -0.642 0.000 1.127 205 R CA 1.682 57.490 56.100 -0.487 0.000 0.968 205 R CB -0.938 29.044 30.300 -0.530 0.000 0.861 205 R HN 0.242 nan 8.270 nan 0.000 0.440 206 Y N 0.368 120.352 120.300 -0.526 0.000 2.220 206 Y HA -0.021 4.530 4.550 0.001 0.000 0.291 206 Y C 2.128 177.630 175.900 -0.663 0.000 1.129 206 Y CA 0.805 58.359 58.100 -0.910 0.000 1.161 206 Y CB -0.356 37.315 38.460 -1.315 0.000 0.997 206 Y HN -0.124 nan 8.280 nan 0.000 0.522 207 F N -0.202 119.700 119.950 -0.080 0.000 2.161 207 F HA -0.235 4.293 4.527 0.001 0.000 0.300 207 F C 2.502 178.307 175.800 0.009 0.000 1.089 207 F CA 1.203 59.256 58.000 0.088 0.000 1.282 207 F CB -1.465 37.609 39.000 0.124 0.000 1.010 207 F HN -0.097 nan 8.300 nan 0.000 0.485 208 S N -0.654 115.094 115.700 0.080 0.000 2.419 208 S HA -0.158 4.312 4.470 0.001 0.000 0.235 208 S C 1.917 176.512 174.600 -0.008 0.000 1.019 208 S CA 1.248 59.453 58.200 0.009 0.000 0.982 208 S CB -0.096 63.057 63.200 -0.079 0.000 0.789 208 S HN 0.363 nan 8.310 nan 0.000 0.490 209 E N -0.934 119.219 120.200 -0.079 0.000 2.244 209 E HA 0.074 4.424 4.350 0.001 0.000 0.196 209 E C 0.000 176.685 176.600 0.141 0.000 0.939 209 E CA 0.171 56.538 56.400 -0.055 0.000 0.884 209 E CB 0.031 29.598 29.700 -0.221 0.000 0.850 209 E HN 0.415 nan 8.360 nan 0.000 0.481 210 W N 1.957 123.343 121.300 0.144 0.000 2.202 210 W HA 0.116 4.776 4.660 0.000 0.000 0.332 210 W C 1.434 178.011 176.519 0.096 0.000 1.263 210 W CA 0.081 57.502 57.345 0.126 0.000 1.223 210 W CB 0.374 29.941 29.460 0.178 0.000 1.128 210 W HN -0.057 nan 8.180 nan 0.000 0.573 211 T N -2.035 112.689 114.554 0.284 0.000 3.044 211 T HA -0.045 4.305 4.350 0.001 0.000 0.260 211 T C 0.507 175.269 174.700 0.103 0.000 1.019 211 T CA -0.063 62.134 62.100 0.162 0.000 0.921 211 T CB -0.136 68.804 68.868 0.119 0.000 1.053 211 T HN 0.382 nan 8.240 nan 0.000 0.533 212 N N 1.175 119.923 118.700 0.080 0.000 2.282 212 N HA 0.151 4.891 4.740 0.001 0.000 0.240 212 N C -0.448 175.027 175.510 -0.058 0.000 1.182 212 N CA -0.519 52.525 53.050 -0.009 0.000 0.874 212 N CB 0.109 38.560 38.487 -0.061 0.000 1.126 212 N HN 0.269 nan 8.380 nan 0.000 0.516 213 I N 1.395 121.962 120.570 -0.004 0.000 2.337 213 I HA 0.263 4.434 4.170 0.001 0.000 0.291 213 I C 1.673 177.716 176.117 -0.122 0.000 1.046 213 I CA -0.279 60.977 61.300 -0.073 0.000 1.324 213 I CB 0.631 38.629 38.000 -0.004 0.000 1.409 213 I HN 0.148 nan 8.210 nan 0.000 0.494 214 G N 6.929 115.594 108.800 -0.225 0.000 2.424 214 G HA2 -0.041 3.919 3.960 0.001 0.000 0.214 214 G HA3 -0.041 3.919 3.960 0.001 0.000 0.214 214 G C -0.025 174.871 174.900 -0.007 0.000 1.202 214 G CA 0.472 45.448 45.100 -0.206 0.000 0.793 214 G HN 0.713 nan 8.290 nan 0.000 0.534 215 W N -2.538 118.654 121.300 -0.181 0.000 3.005 215 W HA 0.671 5.331 4.660 0.001 0.000 0.343 215 W C -1.941 174.473 176.519 -0.176 0.000 1.243 215 W CA -1.647 55.589 57.345 -0.183 0.000 1.186 215 W CB 0.637 30.012 29.460 -0.142 0.000 1.453 215 W HN 0.123 nan 8.180 nan 0.000 0.575 216 L N 2.599 123.926 121.223 0.173 0.000 2.272 216 L HA 0.506 4.847 4.340 0.001 0.000 0.289 216 L C -0.225 176.846 176.870 0.334 0.000 1.032 216 L CA -0.502 54.436 54.840 0.163 0.000 0.810 216 L CB 1.075 43.215 42.059 0.134 0.000 1.205 216 L HN 0.598 nan 8.230 nan 0.000 0.422 217 E N 4.344 124.731 120.200 0.312 0.000 2.175 217 E HA 0.218 4.569 4.350 0.001 0.000 0.278 217 E C -0.629 176.105 176.600 0.224 0.000 0.969 217 E CA -0.377 56.233 56.400 0.349 0.000 0.796 217 E CB 0.661 30.609 29.700 0.413 0.000 1.104 217 E HN 0.653 nan 8.360 nan 0.000 0.395 218 E N 3.362 123.720 120.200 0.264 0.000 2.183 218 E HA -0.178 4.172 4.350 0.001 0.000 0.196 218 E C -1.833 174.856 176.600 0.149 0.000 1.364 218 E CA 0.186 56.745 56.400 0.266 0.000 0.700 218 E CB -0.471 29.363 29.700 0.222 0.000 1.106 218 E HN 0.568 nan 8.360 nan 0.000 0.347 219 P HA -0.118 nan 4.420 nan 0.000 0.217 219 P C 0.767 178.059 177.300 -0.013 0.000 1.150 219 P CA 1.319 64.467 63.100 0.080 0.000 0.832 219 P CB 0.281 32.049 31.700 0.114 0.000 0.787 220 L N -1.467 119.652 121.223 -0.173 0.000 2.323 220 L HA 0.555 4.895 4.340 0.001 0.000 0.265 220 L C -2.660 174.136 176.870 -0.123 0.000 1.012 220 L CA -3.137 51.570 54.840 -0.221 0.000 0.820 220 L CB 1.501 43.259 42.059 -0.502 0.000 1.334 220 L HN -0.355 nan 8.230 nan 0.000 0.427 221 P HA 0.136 nan 4.420 nan 0.000 0.272 221 P C -0.306 176.988 177.300 -0.010 0.000 1.240 221 P CA -0.047 63.069 63.100 0.027 0.000 0.791 221 P CB 0.394 32.120 31.700 0.044 0.000 0.978 222 F N -0.708 119.320 119.950 0.130 0.000 2.660 222 F HA 0.052 4.579 4.527 0.001 0.000 0.302 222 F C 1.565 177.403 175.800 0.063 0.000 1.103 222 F CA 0.375 58.439 58.000 0.107 0.000 1.340 222 F CB -0.338 38.645 39.000 -0.028 0.000 1.048 222 F HN 0.181 nan 8.300 nan 0.000 0.551 223 D N -0.048 120.448 120.400 0.161 0.000 2.149 223 D HA -0.138 4.502 4.640 0.001 0.000 0.198 223 D C 0.830 177.181 176.300 0.085 0.000 0.990 223 D CA 1.241 55.301 54.000 0.099 0.000 0.839 223 D CB -0.004 40.832 40.800 0.061 0.000 0.948 223 D HN 0.294 nan 8.370 nan 0.000 0.460 224 Q N 0.022 119.874 119.800 0.086 0.000 2.700 224 Q HA 0.196 4.537 4.340 0.001 0.000 0.249 224 Q C -1.964 174.102 176.000 0.110 0.000 1.033 224 Q CA -1.548 54.298 55.803 0.071 0.000 0.804 224 Q CB 1.955 30.714 28.738 0.034 0.000 1.164 224 Q HN 0.022 nan 8.270 nan 0.000 0.500 225 P HA -0.215 nan 4.420 nan 0.000 0.217 225 P C 1.309 178.698 177.300 0.147 0.000 1.151 225 P CA 1.318 64.521 63.100 0.172 0.000 0.849 225 P CB 0.501 32.271 31.700 0.116 0.000 0.787 226 Q N -0.546 119.308 119.800 0.089 0.000 2.170 226 Q HA -0.165 4.176 4.340 0.001 0.000 0.203 226 Q C 1.630 177.661 176.000 0.051 0.000 0.976 226 Q CA 1.318 57.159 55.803 0.063 0.000 0.858 226 Q CB -0.949 27.811 28.738 0.038 0.000 0.907 226 Q HN 0.384 nan 8.270 nan 0.000 0.433 227 D N -0.552 119.869 120.400 0.034 0.000 2.144 227 D HA -0.145 4.495 4.640 0.001 0.000 0.199 227 D C 1.784 178.044 176.300 -0.067 0.000 0.984 227 D CA 0.877 54.857 54.000 -0.033 0.000 0.834 227 D CB -0.280 40.473 40.800 -0.079 0.000 0.955 227 D HN 0.320 nan 8.370 nan 0.000 0.465 228 Y N 1.384 121.656 120.300 -0.048 0.000 2.145 228 Y HA -0.180 4.370 4.550 0.001 0.000 0.286 228 Y C 2.546 178.447 175.900 0.001 0.000 1.145 228 Y CA 1.398 59.473 58.100 -0.041 0.000 1.148 228 Y CB -0.323 38.104 38.460 -0.055 0.000 0.981 228 Y HN -0.067 nan 8.280 nan 0.000 0.507 229 A N -0.130 122.792 122.820 0.171 0.000 1.908 229 A HA -0.281 4.039 4.320 0.001 0.000 0.218 229 A C 2.318 179.942 177.584 0.066 0.000 1.181 229 A CA 1.937 54.038 52.037 0.106 0.000 0.627 229 A CB -0.890 18.158 19.000 0.081 0.000 0.818 229 A HN 0.564 nan 8.150 nan 0.000 0.445 230 M N -1.145 118.476 119.600 0.036 0.000 2.065 230 M HA -0.182 4.298 4.480 0.001 0.000 0.259 230 M C 2.104 178.406 176.300 0.005 0.000 1.069 230 M CA 2.265 57.567 55.300 0.002 0.000 1.110 230 M CB -0.224 32.360 32.600 -0.026 0.000 1.328 230 M HN 0.410 nan 8.290 nan 0.000 0.405 231 L N 0.382 121.607 121.223 0.002 0.000 2.046 231 L HA -0.183 4.157 4.340 0.001 0.000 0.208 231 L C 2.524 179.455 176.870 0.102 0.000 1.077 231 L CA 1.889 56.752 54.840 0.038 0.000 0.747 231 L CB -0.835 41.210 42.059 -0.024 0.000 0.896 231 L HN 0.326 nan 8.230 nan 0.000 0.432 232 R N -0.511 120.048 120.500 0.099 0.000 2.096 232 R HA -0.207 4.134 4.340 0.001 0.000 0.240 232 R C 2.367 178.727 176.300 0.101 0.000 1.139 232 R CA 2.015 58.182 56.100 0.112 0.000 0.952 232 R CB -0.490 29.878 30.300 0.113 0.000 0.854 232 R HN 0.659 nan 8.270 nan 0.000 0.436 233 S N -0.273 115.476 115.700 0.082 0.000 2.507 233 S HA -0.073 4.397 4.470 0.001 0.000 0.235 233 S C 1.682 176.336 174.600 0.090 0.000 0.988 233 S CA 0.721 58.964 58.200 0.072 0.000 0.944 233 S CB -0.128 63.101 63.200 0.048 0.000 0.762 233 S HN 0.422 nan 8.310 nan 0.000 0.526 234 R N -0.171 120.402 120.500 0.122 0.000 2.237 234 R HA 0.406 4.746 4.340 0.001 0.000 0.195 234 R C 0.253 176.761 176.300 0.347 0.000 0.956 234 R CA -0.002 56.218 56.100 0.200 0.000 1.029 234 R CB -0.027 30.336 30.300 0.105 0.000 0.972 234 R HN 0.373 nan 8.270 nan 0.000 0.493 235 L N 0.312 121.706 121.223 0.286 0.000 2.421 235 L HA 0.150 4.490 4.340 0.001 0.000 0.263 235 L C 0.959 177.932 176.870 0.172 0.000 1.122 235 L CA -0.052 54.952 54.840 0.273 0.000 0.804 235 L CB 1.581 43.791 42.059 0.250 0.000 1.150 235 L HN -0.039 nan 8.230 nan 0.000 0.457 236 S N 0.464 116.259 115.700 0.158 0.000 2.577 236 S HA 0.143 4.613 4.470 0.001 0.000 0.219 236 S C -0.078 174.526 174.600 0.006 0.000 0.962 236 S CA -0.318 57.941 58.200 0.097 0.000 0.921 236 S CB -0.043 63.235 63.200 0.129 0.000 0.789 236 S HN 0.441 nan 8.310 nan 0.000 0.497 237 V N -1.322 118.533 119.914 -0.098 0.000 3.040 237 V HA 0.715 4.836 4.120 0.001 0.000 0.312 237 V C -3.223 172.824 176.094 -0.079 0.000 1.115 237 V CA -3.011 59.182 62.300 -0.179 0.000 0.998 237 V CB 1.194 32.708 31.823 -0.516 0.000 1.042 237 V HN -0.203 nan 8.190 nan 0.000 0.433 238 P HA 0.303 nan 4.420 nan 0.000 0.269 238 P C -0.737 176.597 177.300 0.057 0.000 1.209 238 P CA 0.009 63.119 63.100 0.016 0.000 0.776 238 P CB 0.706 32.419 31.700 0.022 0.000 0.876 239 V N 2.102 122.045 119.914 0.048 0.000 2.417 239 V HA 0.644 4.764 4.120 0.001 0.000 0.291 239 V C 0.363 176.454 176.094 -0.004 0.000 1.024 239 V CA -0.583 61.778 62.300 0.103 0.000 0.861 239 V CB 1.093 33.029 31.823 0.188 0.000 0.985 239 V HN 0.708 nan 8.190 nan 0.000 0.436 240 A N 3.450 126.246 122.820 -0.040 0.000 2.330 240 A HA 1.065 5.385 4.320 0.001 0.000 0.329 240 A C 0.239 177.839 177.584 0.026 0.000 1.135 240 A CA 0.059 51.960 52.037 -0.227 0.000 0.817 240 A CB 1.877 20.391 19.000 -0.809 0.000 1.269 240 A HN 1.445 nan 8.150 nan 0.000 0.469 241 G N -1.783 107.017 108.800 0.001 0.000 2.340 241 G HA2 0.578 4.538 3.960 0.001 0.000 0.299 241 G HA3 0.578 4.538 3.960 0.001 0.000 0.299 241 G C 0.300 175.203 174.900 0.006 0.000 1.291 241 G CA 0.677 45.863 45.100 0.143 0.000 0.841 241 G HN 2.317 nan 8.290 nan 0.000 0.500 242 G N -0.828 107.885 108.800 -0.145 0.000 2.148 242 G HA2 -0.152 3.809 3.960 0.001 0.000 0.203 242 G HA3 -0.152 3.809 3.960 0.001 0.000 0.203 242 G C 0.917 175.721 174.900 -0.159 0.000 0.993 242 G CA 1.329 46.220 45.100 -0.348 0.000 0.661 242 G HN 1.499 nan 8.290 nan 0.000 0.518 243 E N 0.127 120.241 120.200 -0.143 0.000 2.265 243 E HA -0.103 4.247 4.350 0.001 0.000 0.196 243 E C 1.439 177.851 176.600 -0.312 0.000 0.996 243 E CA 1.222 57.517 56.400 -0.176 0.000 0.832 243 E CB -0.372 29.071 29.700 -0.428 0.000 0.756 243 E HN 0.612 nan 8.360 nan 0.000 0.491 244 N N 0.124 118.587 118.700 -0.395 0.000 2.270 244 N HA 0.090 4.831 4.740 0.001 0.000 0.198 244 N C -0.284 175.032 175.510 -0.323 0.000 1.117 244 N CA -0.410 52.286 53.050 -0.590 0.000 0.845 244 N CB 0.247 38.482 38.487 -0.420 0.000 0.980 244 N HN 0.083 nan 8.380 nan 0.000 0.486 245 M N 0.820 120.227 119.600 -0.323 0.000 2.245 245 M HA 0.047 4.528 4.480 0.001 0.000 0.344 245 M C 1.135 177.401 176.300 -0.058 0.000 1.170 245 M CA 0.603 55.673 55.300 -0.384 0.000 1.135 245 M CB 0.503 32.481 32.600 -1.035 0.000 1.574 245 M HN 0.011 nan 8.290 nan 0.000 0.452 246 K N 0.797 121.154 120.400 -0.073 0.000 2.393 246 K HA 0.303 4.623 4.320 0.001 0.000 0.193 246 K C 0.812 177.408 176.600 -0.007 0.000 1.026 246 K CA 0.189 56.474 56.287 -0.004 0.000 1.064 246 K CB 0.502 32.964 32.500 -0.063 0.000 0.833 246 K HN 0.929 nan 8.250 nan 0.000 0.521 247 G N 0.237 109.016 108.800 -0.035 0.000 2.313 247 G HA2 0.039 3.999 3.960 0.001 0.000 0.296 247 G HA3 0.039 3.999 3.960 0.001 0.000 0.296 247 G C -2.801 172.143 174.900 0.072 0.000 1.356 247 G CA -0.947 44.180 45.100 0.044 0.000 0.833 247 G HN -0.345 nan 8.290 nan 0.000 0.552 248 P HA -0.084 nan 4.420 nan 0.000 0.216 248 P C 2.186 179.547 177.300 0.101 0.000 1.153 248 P CA 2.650 65.853 63.100 0.172 0.000 0.858 248 P CB 0.137 31.896 31.700 0.098 0.000 0.789 249 A N -0.422 122.417 122.820 0.033 0.000 1.933 249 A HA -0.266 4.054 4.320 0.001 0.000 0.218 249 A C 2.198 179.756 177.584 -0.044 0.000 1.175 249 A CA 1.622 53.662 52.037 0.005 0.000 0.628 249 A CB -1.239 17.756 19.000 -0.008 0.000 0.814 249 A HN 0.244 nan 8.150 nan 0.000 0.444 250 Q N -1.935 117.792 119.800 -0.123 0.000 2.230 250 Q HA -0.121 4.219 4.340 0.001 0.000 0.202 250 Q C 1.705 177.515 176.000 -0.316 0.000 0.963 250 Q CA 1.351 57.012 55.803 -0.237 0.000 0.866 250 Q CB -0.228 28.314 28.738 -0.327 0.000 0.931 250 Q HN 0.884 nan 8.270 nan 0.000 0.452 251 Y N -0.344 119.871 120.300 -0.141 0.000 2.314 251 Y HA -0.196 4.355 4.550 0.001 0.000 0.293 251 Y C 2.340 178.106 175.900 -0.222 0.000 1.129 251 Y CA 0.476 58.455 58.100 -0.202 0.000 1.201 251 Y CB -0.091 38.247 38.460 -0.203 0.000 0.999 251 Y HN -0.108 nan 8.280 nan 0.000 0.541 252 V N 1.637 121.554 119.914 0.005 0.000 2.250 252 V HA -0.298 3.823 4.120 0.001 0.000 0.250 252 V C -0.328 175.728 176.094 -0.063 0.000 1.060 252 V CA 2.498 64.797 62.300 -0.001 0.000 1.030 252 V CB -1.778 30.108 31.823 0.105 0.000 0.643 252 V HN 0.327 nan 8.190 nan 0.000 0.445 253 P HA -0.092 nan 4.420 nan 0.000 0.221 253 P C 1.826 179.092 177.300 -0.056 0.000 1.150 253 P CA 1.309 64.395 63.100 -0.024 0.000 0.800 253 P CB -0.030 31.663 31.700 -0.012 0.000 0.787 254 L N -1.076 120.090 121.223 -0.095 0.000 2.093 254 L HA -0.095 4.246 4.340 0.001 0.000 0.208 254 L C 2.744 179.518 176.870 -0.160 0.000 1.085 254 L CA 1.165 55.953 54.840 -0.087 0.000 0.755 254 L CB -0.936 41.069 42.059 -0.090 0.000 0.904 254 L HN -0.099 nan 8.230 nan 0.000 0.435 255 L N -1.223 119.786 121.223 -0.357 0.000 2.131 255 L HA -0.078 4.262 4.340 0.001 0.000 0.206 255 L C 2.670 179.297 176.870 -0.406 0.000 1.087 255 L CA 0.634 55.083 54.840 -0.652 0.000 0.767 255 L CB -0.483 40.627 42.059 -1.582 0.000 0.917 255 L HN 0.149 nan 8.230 nan 0.000 0.441 256 S N -0.232 115.359 115.700 -0.181 0.000 2.400 256 S HA -0.212 4.259 4.470 0.001 0.000 0.232 256 S C 1.725 176.385 174.600 0.099 0.000 1.025 256 S CA 1.270 59.577 58.200 0.179 0.000 0.993 256 S CB -0.176 63.136 63.200 0.187 0.000 0.808 256 S HN 0.497 nan 8.310 nan 0.000 0.478 257 Q N -0.124 119.694 119.800 0.031 0.000 2.360 257 Q HA 0.279 4.619 4.340 0.001 0.000 0.202 257 Q C -0.306 175.720 176.000 0.043 0.000 0.915 257 Q CA -0.178 55.651 55.803 0.043 0.000 0.943 257 Q CB 0.234 28.996 28.738 0.039 0.000 1.064 257 Q HN 0.321 nan 8.270 nan 0.000 0.511 258 R N -1.251 119.266 120.500 0.028 0.000 3.423 258 R HA -0.210 4.130 4.340 0.001 0.000 0.271 258 R C 0.424 176.748 176.300 0.041 0.000 1.093 258 R CA 0.295 56.415 56.100 0.034 0.000 0.730 258 R CB -2.857 27.478 30.300 0.057 0.000 1.190 258 R HN 0.378 nan 8.270 nan 0.000 0.437 259 C N -0.302 119.014 119.300 0.028 0.000 2.467 259 C HA 0.113 4.574 4.460 0.001 0.000 0.279 259 C C 1.180 176.220 174.990 0.083 0.000 1.347 259 C CA 0.416 59.483 59.018 0.081 0.000 1.748 259 C CB -0.313 27.461 27.740 0.056 0.000 1.977 259 C HN 0.380 nan 8.230 nan 0.000 0.501 260 L N 0.159 121.384 121.223 0.002 0.000 2.409 260 L HA 0.345 4.685 4.340 0.001 0.000 0.262 260 L C 0.113 176.942 176.870 -0.068 0.000 0.992 260 L CA -0.337 54.489 54.840 -0.025 0.000 0.817 260 L CB 1.695 43.703 42.059 -0.084 0.000 1.350 260 L HN -0.003 nan 8.230 nan 0.000 0.411 261 D N 1.691 122.038 120.400 -0.088 0.000 2.213 261 D HA 0.183 4.823 4.640 0.001 0.000 0.205 261 D C 0.133 176.284 176.300 -0.249 0.000 0.961 261 D CA 1.443 55.358 54.000 -0.141 0.000 0.853 261 D CB 0.963 41.686 40.800 -0.129 0.000 0.967 261 D HN 0.248 nan 8.370 nan 0.000 0.496 262 I N 1.587 121.974 120.570 -0.306 0.000 2.534 262 I HA 0.236 4.406 4.170 0.001 0.000 0.288 262 I C -0.093 175.811 176.117 -0.355 0.000 1.077 262 I CA -0.881 60.164 61.300 -0.426 0.000 1.051 262 I CB 2.530 40.102 38.000 -0.714 0.000 1.234 262 I HN -0.169 nan 8.210 nan 0.000 0.425 263 I N 2.445 122.806 120.570 -0.349 0.000 2.677 263 I HA 0.523 4.694 4.170 0.001 0.000 0.305 263 I C -0.529 175.415 176.117 -0.288 0.000 0.988 263 I CA -0.316 60.782 61.300 -0.337 0.000 1.260 263 I CB 1.211 38.862 38.000 -0.582 0.000 1.410 263 I HN 0.630 nan 8.210 nan 0.000 0.523 264 Q N 3.925 123.634 119.800 -0.152 0.000 3.048 264 Q HA 0.379 4.719 4.340 0.001 0.000 0.337 264 Q C -2.538 173.536 176.000 0.124 0.000 0.845 264 Q CA -1.791 54.007 55.803 -0.008 0.000 0.942 264 Q CB 1.005 29.782 28.738 0.065 0.000 1.454 264 Q HN 0.527 nan 8.270 nan 0.000 0.392 265 P HA -0.026 nan 4.420 nan 0.000 0.270 265 P C -0.598 177.009 177.300 0.512 0.000 1.223 265 P CA 0.120 63.389 63.100 0.283 0.000 0.785 265 P CB 0.921 32.648 31.700 0.044 0.000 0.923 266 D N 1.042 121.735 120.400 0.490 0.000 2.492 266 D HA 0.105 4.745 4.640 0.001 0.000 0.248 266 D C 1.183 177.644 176.300 0.267 0.000 1.101 266 D CA -0.859 53.373 54.000 0.386 0.000 0.840 266 D CB 1.396 42.425 40.800 0.380 0.000 1.209 266 D HN -0.097 nan 8.370 nan 0.000 0.524 267 V N 4.295 124.101 119.914 -0.180 0.000 2.317 267 V HA -0.303 3.818 4.120 0.001 0.000 0.251 267 V C 2.310 178.390 176.094 -0.023 0.000 1.065 267 V CA 1.874 63.952 62.300 -0.371 0.000 1.049 267 V CB -0.541 30.917 31.823 -0.608 0.000 0.651 267 V HN 0.709 nan 8.190 nan 0.000 0.450 268 M N -1.742 117.882 119.600 0.040 0.000 2.492 268 M HA -0.055 4.425 4.480 0.001 0.000 0.262 268 M C 2.135 178.525 176.300 0.150 0.000 1.090 268 M CA 1.175 56.531 55.300 0.093 0.000 1.110 268 M CB -0.402 32.259 32.600 0.101 0.000 1.407 268 M HN 0.453 nan 8.290 nan 0.000 0.470 269 H N 0.435 119.572 119.070 0.112 0.000 2.431 269 H HA 0.091 4.648 4.556 0.001 0.000 0.295 269 H C 0.801 176.182 175.328 0.088 0.000 1.038 269 H CA 0.727 56.835 56.048 0.099 0.000 1.360 269 H CB 0.456 30.273 29.762 0.092 0.000 1.433 269 H HN 0.199 nan 8.280 nan 0.000 0.536 270 V N 0.329 120.356 119.914 0.189 0.000 3.546 270 V HA 0.056 4.176 4.120 0.001 0.000 0.296 270 V C 0.750 176.884 176.094 0.067 0.000 1.082 270 V CA -0.544 61.839 62.300 0.137 0.000 1.086 270 V CB 0.522 32.490 31.823 0.242 0.000 1.174 270 V HN 0.258 nan 8.190 nan 0.000 0.464 271 N N 2.128 120.858 118.700 0.051 0.000 3.111 271 N HA 0.352 5.093 4.740 0.001 0.000 0.302 271 N C 0.592 176.129 175.510 0.045 0.000 1.317 271 N CA 1.107 54.170 53.050 0.022 0.000 1.151 271 N CB -0.194 38.291 38.487 -0.003 0.000 1.456 271 N HN 1.313 nan 8.380 nan 0.000 0.547 272 G N 0.568 109.405 108.800 0.061 0.000 2.710 272 G HA2 -0.268 3.692 3.960 0.001 0.000 0.668 272 G HA3 -0.268 3.692 3.960 0.001 0.000 0.668 272 G C 0.622 175.578 174.900 0.092 0.000 1.320 272 G CA -0.521 44.612 45.100 0.054 0.000 0.860 272 G HN 0.228 nan 8.290 nan 0.000 0.538 273 I N 0.266 120.876 120.570 0.066 0.000 2.439 273 I HA 0.062 4.232 4.170 0.001 0.000 0.251 273 I C 2.060 178.249 176.117 0.120 0.000 1.139 273 I CA 2.243 63.613 61.300 0.116 0.000 1.438 273 I CB -0.310 37.756 38.000 0.109 0.000 1.085 273 I HN 0.530 nan 8.210 nan 0.000 0.427 274 D N 0.093 120.535 120.400 0.071 0.000 2.123 274 D HA -0.213 4.427 4.640 0.001 0.000 0.200 274 D C 1.958 178.268 176.300 0.017 0.000 0.976 274 D CA 1.192 55.194 54.000 0.003 0.000 0.831 274 D CB -0.127 40.686 40.800 0.022 0.000 0.974 274 D HN 0.519 nan 8.370 nan 0.000 0.469 275 E N 0.030 120.266 120.200 0.060 0.000 2.085 275 E HA -0.197 4.153 4.350 0.001 0.000 0.194 275 E C 1.985 178.640 176.600 0.092 0.000 0.994 275 E CA 0.650 57.091 56.400 0.067 0.000 0.801 275 E CB -0.205 29.541 29.700 0.076 0.000 0.743 275 E HN 0.160 nan 8.360 nan 0.000 0.453 276 F N 1.466 121.416 119.950 0.000 0.000 2.069 276 F HA -0.174 4.353 4.527 0.001 0.000 0.298 276 F C 2.246 178.020 175.800 -0.044 0.000 1.113 276 F CA 1.807 59.811 58.000 0.006 0.000 1.214 276 F CB -0.107 38.912 39.000 0.032 0.000 0.978 276 F HN -0.102 nan 8.300 nan 0.000 0.474 277 R N 0.153 120.632 120.500 -0.036 0.000 2.105 277 R HA -0.178 4.162 4.340 0.001 0.000 0.239 277 R C 1.803 177.980 176.300 -0.206 0.000 1.135 277 R CA 1.566 57.544 56.100 -0.203 0.000 0.967 277 R CB -0.706 29.411 30.300 -0.304 0.000 0.861 277 R HN 0.341 nan 8.270 nan 0.000 0.442 278 D N 0.282 120.606 120.400 -0.126 0.000 2.144 278 D HA -0.127 4.513 4.640 0.001 0.000 0.199 278 D C 1.911 178.150 176.300 -0.102 0.000 0.984 278 D CA 0.930 54.887 54.000 -0.071 0.000 0.834 278 D CB -0.335 40.458 40.800 -0.011 0.000 0.955 278 D HN 0.233 nan 8.370 nan 0.000 0.465 279 C N 0.461 119.656 119.300 -0.175 0.000 2.413 279 C HA -0.091 4.370 4.460 0.001 0.000 0.276 279 C C 2.884 177.653 174.990 -0.367 0.000 1.248 279 C CA 0.252 59.108 59.018 -0.268 0.000 1.742 279 C CB -1.089 26.447 27.740 -0.340 0.000 2.017 279 C HN 0.369 nan 8.230 nan 0.000 0.481 280 L N 0.047 121.013 121.223 -0.429 0.000 2.017 280 L HA -0.198 4.143 4.340 0.001 0.000 0.208 280 L C 2.738 179.446 176.870 -0.270 0.000 1.073 280 L CA 1.500 56.122 54.840 -0.365 0.000 0.745 280 L CB -0.863 40.988 42.059 -0.346 0.000 0.894 280 L HN 0.267 nan 8.230 nan 0.000 0.432 281 Q N 0.107 119.764 119.800 -0.237 0.000 2.119 281 Q HA -0.185 4.155 4.340 0.001 0.000 0.201 281 Q C 2.048 177.886 176.000 -0.269 0.000 0.972 281 Q CA 1.369 56.989 55.803 -0.305 0.000 0.847 281 Q CB -0.366 28.264 28.738 -0.180 0.000 0.903 281 Q HN 0.324 nan 8.270 nan 0.000 0.433 282 L N -0.027 121.168 121.223 -0.047 0.000 2.042 282 L HA -0.157 4.183 4.340 0.001 0.000 0.210 282 L C 1.950 178.893 176.870 0.122 0.000 1.076 282 L CA 2.258 57.182 54.840 0.141 0.000 0.749 282 L CB -0.927 41.200 42.059 0.113 0.000 0.893 282 L HN 0.202 nan 8.230 nan 0.000 0.432 283 A N -0.597 122.178 122.820 -0.076 0.000 1.877 283 A HA -0.195 4.125 4.320 0.001 0.000 0.216 283 A C 2.352 179.915 177.584 -0.035 0.000 1.186 283 A CA 1.562 53.544 52.037 -0.091 0.000 0.620 283 A CB -0.560 18.301 19.000 -0.232 0.000 0.822 283 A HN 0.429 nan 8.150 nan 0.000 0.443 284 R N -1.245 119.163 120.500 -0.153 0.000 2.091 284 R HA -0.160 4.181 4.340 0.001 0.000 0.238 284 R C 1.913 178.153 176.300 -0.099 0.000 1.136 284 R CA 1.690 57.682 56.100 -0.181 0.000 0.959 284 R CB -0.954 29.133 30.300 -0.355 0.000 0.856 284 R HN 0.698 nan 8.270 nan 0.000 0.437 285 Y N -0.912 119.408 120.300 0.033 0.000 2.293 285 Y HA -0.080 4.470 4.550 0.000 0.000 0.291 285 Y C 1.978 177.851 175.900 -0.045 0.000 1.137 285 Y CA 0.393 58.483 58.100 -0.015 0.000 1.202 285 Y CB -0.574 37.858 38.460 -0.046 0.000 0.990 285 Y HN -0.041 nan 8.280 nan 0.000 0.537 286 F N -0.517 119.494 119.950 0.103 0.000 2.811 286 F HA 0.238 4.766 4.527 0.001 0.000 0.301 286 F C 1.771 177.587 175.800 0.026 0.000 1.151 286 F CA 0.752 58.783 58.000 0.050 0.000 1.412 286 F CB -0.008 39.001 39.000 0.015 0.000 1.113 286 F HN 0.119 nan 8.300 nan 0.000 0.579 287 G N 1.292 110.200 108.800 0.179 0.000 2.198 287 G HA2 -0.186 3.775 3.960 0.001 0.000 0.257 287 G HA3 -0.186 3.775 3.960 0.001 0.000 0.257 287 G C -0.179 174.773 174.900 0.086 0.000 1.042 287 G CA 0.232 45.404 45.100 0.121 0.000 0.791 287 G HN 0.565 nan 8.290 nan 0.000 0.502 288 V N -4.008 115.930 119.914 0.040 0.000 2.960 288 V HA 0.884 5.005 4.120 0.001 0.000 0.315 288 V C 0.525 176.529 176.094 -0.149 0.000 1.087 288 V CA -1.846 60.416 62.300 -0.063 0.000 0.982 288 V CB 1.610 33.378 31.823 -0.092 0.000 1.039 288 V HN 0.362 nan 8.190 nan 0.000 0.437 289 R N 1.143 121.478 120.500 -0.275 0.000 2.577 289 R HA 0.788 5.128 4.340 0.001 0.000 0.269 289 R C -0.267 175.829 176.300 -0.341 0.000 1.084 289 R CA 0.091 55.963 56.100 -0.380 0.000 1.163 289 R CB 1.488 31.417 30.300 -0.619 0.000 1.100 289 R HN 1.136 nan 8.270 nan 0.000 0.547 290 A N 0.732 123.370 122.820 -0.303 0.000 2.375 290 A HA 0.381 4.701 4.320 0.001 0.000 0.295 290 A C -1.031 176.443 177.584 -0.182 0.000 1.066 290 A CA -0.452 51.423 52.037 -0.270 0.000 0.722 290 A CB 1.822 20.663 19.000 -0.265 0.000 1.206 290 A HN 0.482 nan 8.150 nan 0.000 0.435 291 S N 2.185 117.785 115.700 -0.167 0.000 2.774 291 S HA 0.611 5.081 4.470 0.001 0.000 0.297 291 S C 0.115 174.785 174.600 0.115 0.000 1.143 291 S CA 0.129 58.330 58.200 0.001 0.000 1.090 291 S CB 0.520 63.694 63.200 -0.044 0.000 1.019 291 S HN 1.940 nan 8.310 nan 0.000 0.482 292 A N 3.775 126.715 122.820 0.199 0.000 2.540 292 A HA 0.252 4.572 4.320 0.001 0.000 0.239 292 A C 0.103 177.860 177.584 0.288 0.000 1.061 292 A CA 0.263 52.479 52.037 0.299 0.000 0.758 292 A CB -0.331 18.917 19.000 0.413 0.000 0.991 292 A HN 0.995 nan 8.150 nan 0.000 0.502 293 H N 1.473 120.674 119.070 0.217 0.000 2.803 293 H HA 0.439 4.996 4.556 0.001 0.000 0.330 293 H C 0.442 175.850 175.328 0.133 0.000 1.057 293 H CA 0.792 56.955 56.048 0.191 0.000 1.458 293 H CB 0.841 30.706 29.762 0.171 0.000 1.470 293 H HN 0.691 nan 8.280 nan 0.000 0.560 294 A N 4.775 127.312 122.820 -0.472 0.000 2.515 294 A HA 0.019 4.339 4.320 0.001 0.000 0.253 294 A C 0.797 178.133 177.584 -0.413 0.000 0.863 294 A CA -0.415 51.418 52.037 -0.339 0.000 1.124 294 A CB -1.116 17.747 19.000 -0.229 0.000 1.214 294 A HN 0.833 nan 8.150 nan 0.000 0.470 295 Y N 1.122 121.027 120.300 -0.657 0.000 2.114 295 Y HA -0.246 4.304 4.550 0.001 0.000 0.282 295 Y C 1.284 177.063 175.900 -0.201 0.000 1.165 295 Y CA 2.528 60.415 58.100 -0.355 0.000 1.148 295 Y CB 0.336 38.690 38.460 -0.177 0.000 0.972 295 Y HN 0.392 nan 8.280 nan 0.000 0.504 296 D N -0.038 120.273 120.400 -0.149 0.000 2.328 296 D HA 0.137 4.777 4.640 0.001 0.000 0.221 296 D C 0.506 176.713 176.300 -0.155 0.000 1.072 296 D CA 0.565 54.495 54.000 -0.117 0.000 0.850 296 D CB -0.102 40.744 40.800 0.076 0.000 0.922 296 D HN 0.327 nan 8.370 nan 0.000 0.516 297 G N -0.410 108.252 108.800 -0.231 0.000 2.425 297 G HA2 0.356 4.316 3.960 0.001 0.000 0.302 297 G HA3 0.356 4.316 3.960 0.001 0.000 0.302 297 G C 0.497 175.226 174.900 -0.285 0.000 1.159 297 G CA -0.162 44.811 45.100 -0.211 0.000 0.865 297 G HN 0.046 nan 8.290 nan 0.000 0.515 298 S N 0.578 116.152 115.700 -0.210 0.000 3.984 298 S HA -0.006 4.465 4.470 0.001 0.000 0.221 298 S C 1.848 176.354 174.600 -0.156 0.000 1.149 298 S CA 0.407 58.470 58.200 -0.228 0.000 0.950 298 S CB -0.750 62.343 63.200 -0.177 0.000 1.216 298 S HN 0.390 nan 8.310 nan 0.000 0.547 299 L N 3.022 124.194 121.223 -0.086 0.000 2.027 299 L HA 0.097 4.438 4.340 0.001 0.000 0.206 299 L C 2.470 179.394 176.870 0.091 0.000 1.074 299 L CA 2.947 57.788 54.840 0.001 0.000 0.745 299 L CB -1.042 41.060 42.059 0.071 0.000 0.898 299 L HN 0.611 nan 8.230 nan 0.000 0.433 300 S N -0.671 115.057 115.700 0.048 0.000 2.382 300 S HA -0.281 4.189 4.470 0.001 0.000 0.228 300 S C 2.214 176.795 174.600 -0.032 0.000 1.027 300 S CA 1.193 59.419 58.200 0.043 0.000 0.991 300 S CB -0.754 62.427 63.200 -0.032 0.000 0.823 300 S HN 0.573 nan 8.310 nan 0.000 0.469 301 R N 0.579 121.005 120.500 -0.122 0.000 2.081 301 R HA -0.035 4.305 4.340 0.001 0.000 0.235 301 R C 2.375 178.582 176.300 -0.155 0.000 1.131 301 R CA 1.437 57.430 56.100 -0.178 0.000 0.960 301 R CB -0.536 29.569 30.300 -0.324 0.000 0.856 301 R HN 0.466 nan 8.270 nan 0.000 0.436 302 L N 0.167 121.266 121.223 -0.207 0.000 2.046 302 L HA -0.166 4.174 4.340 0.001 0.000 0.208 302 L C 1.646 178.155 176.870 -0.601 0.000 1.077 302 L CA 1.745 56.321 54.840 -0.440 0.000 0.747 302 L CB -0.638 41.112 42.059 -0.515 0.000 0.896 302 L HN 0.200 nan 8.230 nan 0.000 0.432 303 Y N -0.329 119.832 120.300 -0.232 0.000 2.224 303 Y HA -0.186 4.364 4.550 0.000 0.000 0.289 303 Y C 2.552 178.520 175.900 0.114 0.000 1.146 303 Y CA 1.551 59.679 58.100 0.046 0.000 1.182 303 Y CB -0.798 37.745 38.460 0.138 0.000 0.983 303 Y HN 0.322 nan 8.280 nan 0.000 0.524 304 A N -0.114 122.756 122.820 0.084 0.000 1.933 304 A HA -0.152 4.169 4.320 0.001 0.000 0.218 304 A C 2.204 179.927 177.584 0.231 0.000 1.175 304 A CA 1.489 53.601 52.037 0.126 0.000 0.628 304 A CB -1.008 17.999 19.000 0.011 0.000 0.814 304 A HN 0.480 nan 8.150 nan 0.000 0.444 305 L N -1.765 119.509 121.223 0.086 0.000 2.056 305 L HA -0.152 4.189 4.340 0.001 0.000 0.207 305 L C 2.469 179.478 176.870 0.232 0.000 1.078 305 L CA 1.088 55.984 54.840 0.094 0.000 0.749 305 L CB -0.626 41.409 42.059 -0.041 0.000 0.901 305 L HN 0.322 nan 8.230 nan 0.000 0.433 306 F N 0.452 120.523 119.950 0.201 0.000 2.095 306 F HA -0.246 4.282 4.527 0.001 0.000 0.298 306 F C 2.659 178.770 175.800 0.517 0.000 1.104 306 F CA 1.004 59.160 58.000 0.260 0.000 1.232 306 F CB -1.413 37.653 39.000 0.110 0.000 0.987 306 F HN 0.037 nan 8.300 nan 0.000 0.475 307 A N -0.670 122.623 122.820 0.788 0.000 1.902 307 A HA -0.262 4.059 4.320 0.001 0.000 0.217 307 A C 2.155 179.973 177.584 0.391 0.000 1.181 307 A CA 1.846 54.228 52.037 0.575 0.000 0.623 307 A CB -0.895 18.436 19.000 0.551 0.000 0.818 307 A HN 0.352 nan 8.150 nan 0.000 0.443 308 Q N -0.375 119.634 119.800 0.348 0.000 2.124 308 Q HA -0.020 4.321 4.340 0.001 0.000 0.202 308 Q C 2.102 178.257 176.000 0.258 0.000 0.977 308 Q CA 1.940 57.893 55.803 0.251 0.000 0.850 308 Q CB -0.606 28.263 28.738 0.218 0.000 0.901 308 Q HN 0.594 nan 8.270 nan 0.000 0.429 309 A N -1.044 121.958 122.820 0.302 0.000 1.972 309 A HA -0.167 4.154 4.320 0.001 0.000 0.219 309 A C 1.984 179.780 177.584 0.354 0.000 1.169 309 A CA 1.478 53.690 52.037 0.293 0.000 0.635 309 A CB -0.695 18.477 19.000 0.287 0.000 0.810 309 A HN 0.531 nan 8.150 nan 0.000 0.446 310 C N -0.684 118.856 119.300 0.401 0.000 2.578 310 C HA 0.460 4.921 4.460 0.001 0.000 0.285 310 C C 0.455 175.744 174.990 0.499 0.000 1.297 310 C CA -0.608 58.676 59.018 0.443 0.000 1.690 310 C CB -2.146 25.860 27.740 0.443 0.000 1.773 310 C HN 0.493 nan 8.230 nan 0.000 0.594 311 L N 3.294 124.720 121.223 0.340 0.000 2.295 311 L HA 0.528 4.869 4.340 0.001 0.000 0.285 311 L C -2.125 174.593 176.870 -0.253 0.000 1.035 311 L CA -1.984 52.915 54.840 0.098 0.000 0.806 311 L CB 0.838 42.930 42.059 0.054 0.000 1.214 311 L HN -0.081 nan 8.230 nan 0.000 0.426 312 P HA 0.181 nan 4.420 nan 0.000 0.270 312 P C -2.752 174.337 177.300 -0.351 0.000 1.223 312 P CA -1.225 61.353 63.100 -0.868 0.000 0.785 312 P CB -0.461 30.906 31.700 -0.555 0.000 0.923 313 P HA -0.077 nan 4.420 nan 0.000 0.267 313 P C 1.008 178.292 177.300 -0.026 0.000 1.200 313 P CA 0.149 63.191 63.100 -0.097 0.000 0.772 313 P CB 0.243 31.776 31.700 -0.279 0.000 0.855 314 W N 2.116 123.408 121.300 -0.014 0.000 2.863 314 W HA 0.099 4.760 4.660 0.001 0.000 0.258 314 W C -0.230 176.287 176.519 -0.004 0.000 1.298 314 W CA 0.244 57.573 57.345 -0.027 0.000 1.451 314 W CB -0.761 28.684 29.460 -0.024 0.000 1.107 314 W HN 0.371 nan 8.180 nan 0.000 0.641 315 S N 0.541 115.835 115.700 -0.677 0.000 2.697 315 S HA 0.438 4.908 4.470 0.001 0.000 0.289 315 S C 0.042 174.395 174.600 -0.412 0.000 1.149 315 S CA -0.853 56.936 58.200 -0.686 0.000 0.850 315 S CB 2.344 64.702 63.200 -1.403 0.000 1.151 315 S HN 0.035 nan 8.310 nan 0.000 0.491 316 K N 0.102 120.328 120.400 -0.289 0.000 2.410 316 K HA 0.317 4.638 4.320 0.001 0.000 0.200 316 K C -0.225 176.272 176.600 -0.171 0.000 1.023 316 K CA 0.042 56.208 56.287 -0.202 0.000 1.149 316 K CB -0.099 32.325 32.500 -0.127 0.000 0.859 316 K HN 0.513 nan 8.250 nan 0.000 0.514 317 M N 1.187 120.663 119.600 -0.206 0.000 2.143 317 M HA 0.051 4.531 4.480 0.001 0.000 0.348 317 M C 1.057 177.353 176.300 -0.006 0.000 1.375 317 M CA -0.096 55.136 55.300 -0.113 0.000 1.124 317 M CB 1.011 33.527 32.600 -0.140 0.000 1.669 317 M HN -0.196 nan 8.290 nan 0.000 0.469 318 K N 1.990 122.397 120.400 0.011 0.000 2.160 318 K HA -0.136 4.184 4.320 0.001 0.000 0.206 318 K C 0.929 177.623 176.600 0.157 0.000 1.047 318 K CA 1.689 58.019 56.287 0.071 0.000 0.930 318 K CB 0.074 32.588 32.500 0.024 0.000 0.720 318 K HN 0.551 nan 8.250 nan 0.000 0.450 319 N N -0.248 118.488 118.700 0.061 0.000 2.184 319 N HA 0.006 4.746 4.740 0.001 0.000 0.206 319 N C -0.919 174.555 175.510 -0.059 0.000 1.151 319 N CA 0.231 53.280 53.050 -0.001 0.000 0.878 319 N CB 0.943 39.433 38.487 0.005 0.000 1.014 319 N HN 0.077 nan 8.380 nan 0.000 0.512 320 D N -0.076 120.276 120.400 -0.079 0.000 2.978 320 D HA 0.057 4.697 4.640 0.001 0.000 0.268 320 D C -0.057 176.113 176.300 -0.217 0.000 1.252 320 D CA -0.230 53.728 54.000 -0.070 0.000 0.771 320 D CB -0.290 40.536 40.800 0.045 0.000 1.361 320 D HN 0.317 nan 8.370 nan 0.000 0.558 321 H N 0.977 119.921 119.070 -0.211 0.000 3.182 321 H HA 0.345 4.902 4.556 0.001 0.000 0.254 321 H C -0.726 174.497 175.328 -0.174 0.000 1.197 321 H CA -0.445 55.259 56.048 -0.573 0.000 1.061 321 H CB 0.439 29.939 29.762 -0.436 0.000 1.722 321 H HN 0.151 nan 8.280 nan 0.000 0.662 322 I N 2.189 122.803 120.570 0.074 0.000 2.607 322 I HA 0.258 4.428 4.170 0.001 0.000 0.290 322 I C -1.091 175.217 176.117 0.318 0.000 1.129 322 I CA -0.580 60.887 61.300 0.278 0.000 1.042 322 I CB 2.649 40.717 38.000 0.113 0.000 1.242 322 I HN 0.062 nan 8.210 nan 0.000 0.421 323 E N 8.022 128.389 120.200 0.279 0.000 2.383 323 E HA 0.334 4.685 4.350 0.001 0.000 0.264 323 E C -2.336 174.387 176.600 0.205 0.000 1.050 323 E CA -1.213 55.289 56.400 0.169 0.000 0.896 323 E CB 0.086 29.790 29.700 0.006 0.000 0.982 323 E HN 0.349 nan 8.360 nan 0.000 0.424 324 P HA 0.159 nan 4.420 nan 0.000 0.276 324 P C -0.468 177.041 177.300 0.348 0.000 1.252 324 P CA -0.147 63.147 63.100 0.323 0.000 0.802 324 P CB 0.941 32.912 31.700 0.452 0.000 1.035 325 I N 0.274 120.991 120.570 0.245 0.000 2.577 325 I HA 0.236 4.407 4.170 0.001 0.000 0.305 325 I C 1.061 177.102 176.117 -0.126 0.000 0.986 325 I CA -0.973 60.422 61.300 0.157 0.000 1.189 325 I CB 1.355 39.447 38.000 0.154 0.000 1.355 325 I HN 0.406 nan 8.210 nan 0.000 0.476 326 E N 5.390 125.414 120.200 -0.293 0.000 2.344 326 E HA -0.021 4.330 4.350 0.001 0.000 0.270 326 E C -1.427 174.959 176.600 -0.357 0.000 1.021 326 E CA -0.270 55.675 56.400 -0.758 0.000 0.887 326 E CB 0.838 30.346 29.700 -0.320 0.000 0.997 326 E HN 0.426 nan 8.360 nan 0.000 0.429 327 W N 6.289 127.275 121.300 -0.522 0.000 2.391 327 W HA 0.158 4.818 4.660 0.000 0.000 0.312 327 W C -0.811 175.507 176.519 -0.334 0.000 1.003 327 W CA -0.947 56.218 57.345 -0.301 0.000 1.375 327 W CB 0.963 30.355 29.460 -0.113 0.000 1.253 327 W HN 0.590 nan 8.180 nan 0.000 0.416 328 D N 3.213 123.296 120.400 -0.528 0.000 2.487 328 D HA 0.013 4.653 4.640 0.001 0.000 0.243 328 D C 0.796 176.883 176.300 -0.354 0.000 1.154 328 D CA 0.531 54.238 54.000 -0.488 0.000 0.876 328 D CB 1.307 41.566 40.800 -0.903 0.000 1.161 328 D HN 0.217 nan 8.370 nan 0.000 0.478 329 V N 1.198 120.894 119.914 -0.363 0.000 3.276 329 V HA 0.283 4.403 4.120 0.001 0.000 0.319 329 V C 0.531 176.451 176.094 -0.289 0.000 1.427 329 V CA -0.557 61.541 62.300 -0.337 0.000 1.102 329 V CB -0.281 31.194 31.823 -0.580 0.000 1.020 329 V HN 0.345 nan 8.190 nan 0.000 0.456 330 M N 1.201 120.622 119.600 -0.298 0.000 2.267 330 M HA 0.381 4.862 4.480 0.001 0.000 0.303 330 M C 0.477 176.694 176.300 -0.138 0.000 1.164 330 M CA -0.394 54.720 55.300 -0.310 0.000 1.060 330 M CB 0.383 32.551 32.600 -0.720 0.000 1.455 330 M HN 0.506 nan 8.290 nan 0.000 0.483 331 E N 2.259 122.468 120.200 0.016 0.000 2.585 331 E HA -0.066 4.284 4.350 0.001 0.000 0.252 331 E C -0.938 175.690 176.600 0.048 0.000 0.981 331 E CA 0.401 56.852 56.400 0.086 0.000 0.943 331 E CB 0.153 29.986 29.700 0.222 0.000 0.923 331 E HN 0.561 nan 8.360 nan 0.000 0.486 332 N N 5.720 124.330 118.700 -0.151 0.000 3.193 332 N HA 0.104 4.844 4.740 0.001 0.000 0.234 332 N C -2.487 172.722 175.510 -0.502 0.000 1.267 332 N CA -1.268 51.594 53.050 -0.313 0.000 0.875 332 N CB 1.384 39.740 38.487 -0.219 0.000 1.592 332 N HN 0.208 nan 8.380 nan 0.000 0.648 333 P HA 0.008 nan 4.420 nan 0.000 0.226 333 P C 0.885 177.815 177.300 -0.617 0.000 1.153 333 P CA 0.679 63.298 63.100 -0.803 0.000 0.777 333 P CB -0.041 30.893 31.700 -1.276 0.000 0.794 334 F N -0.071 119.649 119.950 -0.384 0.000 2.604 334 F HA 0.002 4.529 4.527 0.001 0.000 0.298 334 F C 2.529 178.180 175.800 -0.248 0.000 1.131 334 F CA 0.672 58.499 58.000 -0.289 0.000 1.457 334 F CB -1.975 36.870 39.000 -0.258 0.000 1.095 334 F HN -0.046 nan 8.300 nan 0.000 0.574 335 T N -0.659 113.810 114.554 -0.141 0.000 2.897 335 T HA -0.177 4.174 4.350 0.001 0.000 0.271 335 T C 1.367 176.020 174.700 -0.079 0.000 1.084 335 T CA 1.711 63.715 62.100 -0.161 0.000 1.123 335 T CB -0.326 68.453 68.868 -0.149 0.000 0.865 335 T HN 0.119 nan 8.240 nan 0.000 0.496 336 D N 0.194 120.553 120.400 -0.069 0.000 2.339 336 D HA 0.201 4.842 4.640 0.001 0.000 0.217 336 D C 1.891 178.160 176.300 -0.052 0.000 1.050 336 D CA -0.015 53.959 54.000 -0.044 0.000 0.856 336 D CB 0.008 40.781 40.800 -0.044 0.000 0.922 336 D HN 0.402 nan 8.370 nan 0.000 0.518 337 L N 0.287 121.478 121.223 -0.055 0.000 2.079 337 L HA -0.107 4.233 4.340 0.001 0.000 0.210 337 L C 1.009 177.792 176.870 -0.144 0.000 1.081 337 L CA 0.880 55.663 54.840 -0.095 0.000 0.752 337 L CB -0.137 41.863 42.059 -0.097 0.000 0.896 337 L HN -0.031 nan 8.230 nan 0.000 0.433 338 V N -4.610 115.236 119.914 -0.114 0.000 2.555 338 V HA 0.378 4.498 4.120 0.001 0.000 0.302 338 V C 0.156 176.220 176.094 -0.051 0.000 1.038 338 V CA -0.779 61.459 62.300 -0.103 0.000 0.887 338 V CB 1.660 33.417 31.823 -0.109 0.000 0.991 338 V HN -0.026 nan 8.190 nan 0.000 0.434 339 S N 5.541 121.213 115.700 -0.046 0.000 3.530 339 S HA 0.581 5.051 4.470 0.001 0.000 0.279 339 S C -0.465 174.136 174.600 0.001 0.000 1.280 339 S CA -0.085 58.103 58.200 -0.020 0.000 0.946 339 S CB -0.755 62.425 63.200 -0.033 0.000 1.501 339 S HN 0.784 nan 8.310 nan 0.000 0.498 340 L N 3.265 124.516 121.223 0.047 0.000 2.562 340 L HA 0.522 4.862 4.340 0.001 0.000 0.266 340 L C -1.441 175.523 176.870 0.156 0.000 0.949 340 L CA -0.067 54.817 54.840 0.072 0.000 0.879 340 L CB 1.717 43.821 42.059 0.075 0.000 1.278 340 L HN 0.262 nan 8.230 nan 0.000 0.404 341 Q N 4.252 124.047 119.800 -0.009 0.000 2.421 341 Q HA 0.635 4.975 4.340 0.001 0.000 0.280 341 Q C -2.598 173.150 176.000 -0.420 0.000 1.085 341 Q CA -1.766 53.934 55.803 -0.171 0.000 0.807 341 Q CB 2.094 30.795 28.738 -0.062 0.000 1.405 341 Q HN 0.426 nan 8.270 nan 0.000 0.419 342 P HA 0.162 nan 4.420 nan 0.000 0.272 342 P C -0.809 176.218 177.300 -0.455 0.000 1.230 342 P CA -0.221 62.475 63.100 -0.672 0.000 0.788 342 P CB 0.670 31.788 31.700 -0.971 0.000 0.949 343 S N 1.202 116.700 115.700 -0.337 0.000 2.707 343 S HA 0.303 4.774 4.470 0.001 0.000 0.312 343 S C -0.501 173.935 174.600 -0.274 0.000 1.116 343 S CA -0.681 57.360 58.200 -0.265 0.000 1.078 343 S CB -0.324 62.774 63.200 -0.170 0.000 0.997 343 S HN 0.404 nan 8.310 nan 0.000 0.477 344 K N 3.431 123.627 120.400 -0.340 0.000 3.148 344 K HA -0.204 4.116 4.320 0.001 0.000 0.267 344 K C 0.880 177.278 176.600 -0.337 0.000 0.996 344 K CA 0.722 56.830 56.287 -0.298 0.000 0.737 344 K CB -1.866 30.542 32.500 -0.154 0.000 1.308 344 K HN 1.458 nan 8.250 nan 0.000 0.470 345 G N -0.777 107.658 108.800 -0.608 0.000 2.162 345 G HA2 -0.310 3.651 3.960 0.001 0.000 0.260 345 G HA3 -0.310 3.651 3.960 0.001 0.000 0.260 345 G C -0.032 174.710 174.900 -0.264 0.000 0.976 345 G CA 0.628 45.447 45.100 -0.468 0.000 0.655 345 G HN 0.244 nan 8.290 nan 0.000 0.533 346 M N 0.316 119.755 119.600 -0.269 0.000 2.395 346 M HA 0.574 5.054 4.480 0.001 0.000 0.307 346 M C -0.250 175.944 176.300 -0.177 0.000 1.091 346 M CA -0.856 54.335 55.300 -0.182 0.000 0.919 346 M CB 2.042 34.564 32.600 -0.131 0.000 1.662 346 M HN -0.075 nan 8.290 nan 0.000 0.440 347 V N 3.115 122.926 119.914 -0.172 0.000 2.398 347 V HA 0.324 4.444 4.120 0.001 0.000 0.286 347 V C -0.692 175.350 176.094 -0.086 0.000 1.026 347 V CA -0.688 61.547 62.300 -0.108 0.000 0.868 347 V CB 1.366 33.117 31.823 -0.120 0.000 0.982 347 V HN 0.713 nan 8.190 nan 0.000 0.443 348 H N 4.388 123.418 119.070 -0.067 0.000 2.552 348 H HA 0.438 4.994 4.556 0.001 0.000 0.311 348 H C -0.019 175.317 175.328 0.013 0.000 1.071 348 H CA -0.873 55.164 56.048 -0.019 0.000 1.307 348 H CB 0.699 30.444 29.762 -0.028 0.000 1.416 348 H HN 0.352 nan 8.280 nan 0.000 0.464 349 I N 5.521 126.169 120.570 0.129 0.000 2.517 349 I HA 0.058 4.228 4.170 0.001 0.000 0.285 349 I C -1.889 174.338 176.117 0.183 0.000 1.106 349 I CA -2.526 58.876 61.300 0.171 0.000 1.402 349 I CB -0.161 37.967 38.000 0.214 0.000 1.399 349 I HN 0.419 nan 8.210 nan 0.000 0.535 350 P HA 0.109 nan 4.420 nan 0.000 0.265 350 P C 0.247 177.620 177.300 0.120 0.000 1.193 350 P CA -0.039 63.152 63.100 0.152 0.000 0.765 350 P CB 0.731 32.528 31.700 0.163 0.000 0.823 351 K N 1.166 121.589 120.400 0.039 0.000 2.355 351 K HA 0.156 4.476 4.320 0.001 0.000 0.198 351 K C 1.269 177.832 176.600 -0.062 0.000 1.039 351 K CA -0.090 56.185 56.287 -0.020 0.000 1.075 351 K CB 0.462 32.959 32.500 -0.004 0.000 0.870 351 K HN 0.588 nan 8.250 nan 0.000 0.540 352 G N 1.608 110.384 108.800 -0.041 0.000 2.684 352 G HA2 0.024 3.985 3.960 0.001 0.000 0.255 352 G HA3 0.024 3.985 3.960 0.001 0.000 0.255 352 G C -0.426 174.424 174.900 -0.084 0.000 1.219 352 G CA -0.407 44.664 45.100 -0.048 0.000 0.901 352 G HN 0.071 nan 8.290 nan 0.000 0.548 353 K N -0.020 120.340 120.400 -0.066 0.000 2.380 353 K HA 0.390 4.710 4.320 0.001 0.000 0.267 353 K C 1.356 177.911 176.600 -0.075 0.000 0.990 353 K CA 0.924 57.164 56.287 -0.077 0.000 0.946 353 K CB 0.376 32.847 32.500 -0.047 0.000 0.937 353 K HN 0.987 nan 8.250 nan 0.000 0.491 354 G N 2.101 110.846 108.800 -0.092 0.000 2.591 354 G HA2 -0.352 3.608 3.960 0.001 0.000 0.298 354 G HA3 -0.352 3.608 3.960 0.001 0.000 0.298 354 G C 0.750 175.572 174.900 -0.130 0.000 1.195 354 G CA 0.543 45.602 45.100 -0.069 0.000 0.989 354 G HN 0.807 nan 8.290 nan 0.000 0.551 355 I N -0.523 120.034 120.570 -0.021 0.000 3.793 355 I HA 0.524 4.694 4.170 0.001 0.000 0.315 355 I C 1.774 177.960 176.117 0.115 0.000 1.275 355 I CA 0.955 62.290 61.300 0.058 0.000 1.214 355 I CB -0.155 37.917 38.000 0.120 0.000 1.018 355 I HN 2.132 nan 8.210 nan 0.000 0.439 356 G N 1.281 110.093 108.800 0.019 0.000 2.168 356 G HA2 -0.297 3.663 3.960 0.001 0.000 0.257 356 G HA3 -0.297 3.663 3.960 0.001 0.000 0.257 356 G C 0.232 175.152 174.900 0.032 0.000 0.997 356 G CA 0.725 45.838 45.100 0.023 0.000 0.708 356 G HN 0.706 nan 8.290 nan 0.000 0.520 357 T N -1.135 113.432 114.554 0.022 0.000 2.749 357 T HA 0.538 4.888 4.350 0.001 0.000 0.310 357 T C -1.608 173.067 174.700 -0.041 0.000 1.496 357 T CA -0.203 61.891 62.100 -0.011 0.000 1.006 357 T CB 1.502 70.359 68.868 -0.020 0.000 1.457 357 T HN 0.235 nan 8.240 nan 0.000 0.497 358 E N 1.563 121.715 120.200 -0.080 0.000 2.227 358 E HA 0.443 4.793 4.350 0.001 0.000 0.268 358 E C -0.346 176.109 176.600 -0.242 0.000 0.907 358 E CA -1.030 55.286 56.400 -0.139 0.000 0.786 358 E CB 1.630 31.269 29.700 -0.102 0.000 1.191 358 E HN 0.439 nan 8.360 nan 0.000 0.411 359 I N 2.478 122.780 120.570 -0.445 0.000 2.618 359 I HA -0.055 4.115 4.170 0.001 0.000 0.284 359 I C 0.643 176.514 176.117 -0.409 0.000 1.146 359 I CA -0.060 60.884 61.300 -0.592 0.000 1.425 359 I CB -0.387 36.846 38.000 -1.277 0.000 1.383 359 I HN 0.417 nan 8.210 nan 0.000 0.562 360 N N 7.362 125.888 118.700 -0.289 0.000 2.421 360 N HA 0.041 4.781 4.740 0.001 0.000 0.260 360 N C 0.836 176.235 175.510 -0.185 0.000 1.173 360 N CA -0.218 52.721 53.050 -0.184 0.000 0.960 360 N CB 0.642 39.061 38.487 -0.113 0.000 1.273 360 N HN 0.374 nan 8.380 nan 0.000 0.497 361 M N 1.873 121.365 119.600 -0.180 0.000 2.358 361 M HA -0.099 4.381 4.480 0.001 0.000 0.264 361 M C 1.281 177.535 176.300 -0.075 0.000 1.064 361 M CA 1.049 56.258 55.300 -0.153 0.000 1.093 361 M CB -0.464 32.069 32.600 -0.111 0.000 1.401 361 M HN 0.568 nan 8.290 nan 0.000 0.440 362 E N 0.302 120.472 120.200 -0.051 0.000 2.058 362 E HA -0.187 4.163 4.350 0.001 0.000 0.194 362 E C 2.023 178.632 176.600 0.015 0.000 0.997 362 E CA 1.072 57.459 56.400 -0.022 0.000 0.801 362 E CB -0.086 29.603 29.700 -0.019 0.000 0.746 362 E HN 0.404 nan 8.360 nan 0.000 0.450 363 I N 1.124 121.724 120.570 0.049 0.000 2.179 363 I HA -0.210 3.960 4.170 0.001 0.000 0.242 363 I C 2.592 178.847 176.117 0.230 0.000 1.088 363 I CA 0.973 62.391 61.300 0.198 0.000 1.357 363 I CB -1.265 36.827 38.000 0.152 0.000 1.051 363 I HN -0.007 nan 8.210 nan 0.000 0.409 364 V N 1.829 121.777 119.914 0.056 0.000 2.282 364 V HA -0.332 3.788 4.120 0.001 0.000 0.249 364 V C 2.195 178.348 176.094 0.097 0.000 1.057 364 V CA 2.472 64.782 62.300 0.017 0.000 1.032 364 V CB -1.153 30.533 31.823 -0.229 0.000 0.645 364 V HN 0.480 nan 8.190 nan 0.000 0.447 365 N N -0.430 118.299 118.700 0.049 0.000 2.106 365 N HA -0.182 4.558 4.740 0.001 0.000 0.188 365 N C 2.074 177.589 175.510 0.009 0.000 1.029 365 N CA 1.152 54.231 53.050 0.048 0.000 0.848 365 N CB -0.243 38.254 38.487 0.018 0.000 1.007 365 N HN 0.369 nan 8.380 nan 0.000 0.423 366 R N 0.325 120.784 120.500 -0.069 0.000 2.105 366 R HA -0.137 4.204 4.340 0.001 0.000 0.239 366 R C 0.628 176.688 176.300 -0.399 0.000 1.135 366 R CA 1.476 57.390 56.100 -0.310 0.000 0.967 366 R CB -0.070 29.906 30.300 -0.540 0.000 0.861 366 R HN 0.358 nan 8.270 nan 0.000 0.442 367 Y N 0.509 120.898 120.300 0.148 0.000 2.571 367 Y HA 0.216 4.766 4.550 0.001 0.000 0.275 367 Y C -0.015 176.038 175.900 0.254 0.000 1.179 367 Y CA -0.475 57.770 58.100 0.241 0.000 1.242 367 Y CB 0.043 38.728 38.460 0.375 0.000 1.126 367 Y HN -0.075 nan 8.280 nan 0.000 0.524 368 K N 1.223 121.773 120.400 0.250 0.000 2.511 368 K HA -0.184 4.136 4.320 0.001 0.000 0.277 368 K C -0.208 176.549 176.600 0.262 0.000 1.025 368 K CA -0.116 56.301 56.287 0.217 0.000 1.112 368 K CB 0.238 32.814 32.500 0.127 0.000 0.859 368 K HN 0.352 nan 8.250 nan 0.000 0.485 369 W N 6.281 127.615 121.300 0.057 0.000 2.251 369 W HA 0.021 4.681 4.660 0.001 0.000 0.327 369 W C 0.428 176.917 176.519 -0.051 0.000 1.361 369 W CA -0.388 56.964 57.345 0.012 0.000 1.234 369 W CB 0.444 29.881 29.460 -0.039 0.000 1.212 369 W HN 0.771 nan 8.180 nan 0.000 0.557 370 D N 2.804 122.999 120.400 -0.342 0.000 2.363 370 D HA 0.059 4.700 4.640 0.001 0.000 0.226 370 D C 1.687 177.496 176.300 -0.820 0.000 1.020 370 D CA 0.747 54.473 54.000 -0.456 0.000 0.892 370 D CB -0.386 40.258 40.800 -0.261 0.000 0.900 370 D HN 0.789 nan 8.370 nan 0.000 0.531 371 G N -0.257 107.458 108.800 -1.809 0.000 2.179 371 G HA2 -0.280 3.680 3.960 0.001 0.000 0.260 371 G HA3 -0.280 3.680 3.960 0.001 0.000 0.260 371 G C 0.351 174.548 174.900 -1.173 0.000 0.977 371 G CA 0.513 44.458 45.100 -1.924 0.000 0.641 371 G HN 0.917 nan 8.290 nan 0.000 0.533 372 S N -0.074 115.188 115.700 -0.730 0.000 2.617 372 S HA 0.839 5.310 4.470 0.001 0.000 0.283 372 S C 0.546 175.274 174.600 0.213 0.000 1.189 372 S CA 0.530 58.627 58.200 -0.171 0.000 1.036 372 S CB 2.005 65.121 63.200 -0.140 0.000 1.014 372 S HN 1.900 nan 8.310 nan 0.000 0.522 373 A N 1.924 124.841 122.820 0.162 0.000 2.462 373 A HA 0.513 4.833 4.320 0.001 0.000 0.243 373 A C -0.513 177.158 177.584 0.145 0.000 1.076 373 A CA -0.454 51.676 52.037 0.155 0.000 0.773 373 A CB -0.608 18.471 19.000 0.132 0.000 1.010 373 A HN 1.349 nan 8.150 nan 0.000 0.493 374 Y N 0.457 120.821 120.300 0.106 0.000 2.402 374 Y HA 0.569 5.120 4.550 0.001 0.000 0.325 374 Y C -0.046 175.925 175.900 0.119 0.000 1.009 374 Y CA -0.991 57.102 58.100 -0.011 0.000 1.278 374 Y CB 0.461 38.716 38.460 -0.343 0.000 1.105 374 Y HN 0.729 nan 8.280 nan 0.000 0.476 375 E N 0.000 120.335 120.200 0.225 0.000 2.725 375 E HA 0.000 4.350 4.350 0.001 0.000 0.291 375 E CA 0.000 56.541 56.400 0.234 0.000 0.976 375 E CB 0.000 29.800 29.700 0.166 0.000 0.812 375 E HN 0.000 nan 8.360 nan 0.000 0.440