REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2onm_1_F DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT KVKTVTVKVP QKNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.568 177.584 -0.026 0.000 1.274 7 A CA 0.000 52.044 52.037 0.012 0.000 0.836 7 A CB 0.000 19.024 19.000 0.039 0.000 0.831 8 V N 1.493 121.352 119.914 -0.091 0.000 2.448 8 V HA 0.504 4.624 4.120 -0.000 0.000 0.295 8 V C -2.091 173.883 176.094 -0.201 0.000 1.025 8 V CA -1.510 60.618 62.300 -0.288 0.000 0.859 8 V CB 1.344 33.014 31.823 -0.254 0.000 0.988 8 V HN 0.536 nan 8.190 nan 0.000 0.431 9 P HA 0.311 nan 4.420 nan 0.000 0.270 9 P C -0.323 176.994 177.300 0.028 0.000 1.223 9 P CA -0.189 62.860 63.100 -0.084 0.000 0.785 9 P CB 0.475 32.137 31.700 -0.064 0.000 0.923 10 A N 3.472 126.302 122.820 0.018 0.000 2.454 10 A HA 0.370 4.690 4.320 -0.000 0.000 0.260 10 A C -1.730 175.811 177.584 -0.072 0.000 1.106 10 A CA -0.836 51.197 52.037 -0.007 0.000 0.780 10 A CB -0.953 18.033 19.000 -0.024 0.000 1.044 10 A HN 0.436 nan 8.150 nan 0.000 0.498 11 P HA 0.136 nan 4.420 nan 0.000 0.277 11 P C -0.842 176.263 177.300 -0.325 0.000 1.240 11 P CA -0.657 62.160 63.100 -0.472 0.000 0.798 11 P CB 0.786 31.800 31.700 -1.143 0.000 0.979 12 N N 1.725 120.270 118.700 -0.259 0.000 2.469 12 N HA 0.028 4.767 4.740 -0.000 0.000 0.239 12 N C 0.868 176.088 175.510 -0.483 0.000 1.053 12 N CA 0.061 52.962 53.050 -0.249 0.000 0.937 12 N CB 0.277 38.708 38.487 -0.093 0.000 1.163 12 N HN 0.250 nan 8.380 nan 0.000 0.509 13 Q N 1.503 120.870 119.800 -0.722 0.000 2.561 13 Q HA -0.140 4.200 4.340 -0.000 0.000 0.217 13 Q C -0.166 175.386 176.000 -0.747 0.000 0.980 13 Q CA 0.876 55.901 55.803 -1.297 0.000 0.927 13 Q CB 0.167 28.337 28.738 -0.947 0.000 0.980 13 Q HN 0.563 nan 8.270 nan 0.000 0.525 14 Q N 0.468 120.027 119.800 -0.401 0.000 3.180 14 Q HA 0.177 4.517 4.340 -0.000 0.000 0.317 14 Q C -2.511 173.405 176.000 -0.141 0.000 0.824 14 Q CA -1.686 53.984 55.803 -0.222 0.000 0.926 14 Q CB 1.101 29.734 28.738 -0.176 0.000 1.487 14 Q HN 0.009 nan 8.270 nan 0.000 0.389 15 P HA -0.042 nan 4.420 nan 0.000 0.269 15 P C -0.392 176.884 177.300 -0.040 0.000 1.209 15 P CA 0.040 63.130 63.100 -0.017 0.000 0.776 15 P CB 0.985 32.642 31.700 -0.072 0.000 0.876 16 E N 1.089 121.274 120.200 -0.025 0.000 2.366 16 E HA 0.245 4.595 4.350 -0.000 0.000 0.266 16 E C -0.765 175.552 176.600 -0.471 0.000 1.051 16 E CA -0.712 55.508 56.400 -0.299 0.000 0.884 16 E CB 0.827 30.266 29.700 -0.435 0.000 1.006 16 E HN 0.153 nan 8.360 nan 0.000 0.417 17 V N 5.524 125.134 119.914 -0.507 0.000 2.394 17 V HA 0.149 4.269 4.120 -0.000 0.000 0.282 17 V C -0.061 175.692 176.094 -0.568 0.000 1.031 17 V CA -0.115 61.958 62.300 -0.378 0.000 0.881 17 V CB 0.936 32.639 31.823 -0.201 0.000 0.982 17 V HN 0.697 nan 8.190 nan 0.000 0.451 18 F N 1.573 121.546 119.950 0.039 0.000 2.694 18 F HA 0.259 4.785 4.527 -0.001 0.000 0.292 18 F C 0.927 176.602 175.800 -0.207 0.000 1.121 18 F CA -0.129 57.846 58.000 -0.041 0.000 1.352 18 F CB 0.343 39.364 39.000 0.035 0.000 1.107 18 F HN 0.372 nan 8.300 nan 0.000 0.597 19 C N 2.166 121.422 119.300 -0.072 0.000 2.340 19 C HA 0.456 4.916 4.460 -0.000 0.000 0.323 19 C C 0.278 175.075 174.990 -0.322 0.000 1.260 19 C CA -0.844 57.885 59.018 -0.481 0.000 1.464 19 C CB 0.344 27.758 27.740 -0.544 0.000 2.156 19 C HN 0.527 nan 8.230 nan 0.000 0.476 20 N N 1.064 119.550 118.700 -0.356 0.000 2.286 20 N HA 0.070 4.810 4.740 -0.000 0.000 0.245 20 N C -0.428 175.037 175.510 -0.076 0.000 1.363 20 N CA -0.289 52.658 53.050 -0.172 0.000 0.822 20 N CB 0.021 38.408 38.487 -0.168 0.000 1.345 20 N HN 0.777 nan 8.380 nan 0.000 0.494 21 Q N -0.053 119.748 119.800 0.003 0.000 2.852 21 Q HA 0.575 4.914 4.340 -0.000 0.000 0.262 21 Q C -0.419 175.873 176.000 0.488 0.000 1.051 21 Q CA -1.010 54.941 55.803 0.248 0.000 0.894 21 Q CB 1.902 30.829 28.738 0.315 0.000 1.381 21 Q HN 0.110 nan 8.270 nan 0.000 0.501 22 I N 1.094 121.919 120.570 0.426 0.000 2.428 22 I HA 0.163 4.332 4.170 -0.000 0.000 0.289 22 I C -0.726 175.570 176.117 0.298 0.000 1.019 22 I CA -0.173 61.338 61.300 0.353 0.000 1.351 22 I CB 0.463 38.619 38.000 0.261 0.000 1.412 22 I HN 0.385 nan 8.210 nan 0.000 0.513 23 F N 7.992 127.922 119.950 -0.035 0.000 2.332 23 F HA 0.594 5.121 4.527 -0.000 0.000 0.368 23 F C -0.546 175.100 175.800 -0.257 0.000 1.110 23 F CA -0.387 57.358 58.000 -0.425 0.000 1.087 23 F CB 0.346 39.002 39.000 -0.572 0.000 1.235 23 F HN 0.169 nan 8.300 nan 0.000 0.470 24 I N 5.480 125.691 120.570 -0.598 0.000 2.569 24 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 24 I C -0.283 175.526 176.117 -0.513 0.000 1.088 24 I CA -1.059 60.026 61.300 -0.358 0.000 1.047 24 I CB 1.834 39.839 38.000 0.007 0.000 1.237 24 I HN 0.479 nan 8.210 nan 0.000 0.421 25 N N 4.567 123.012 118.700 -0.426 0.000 2.721 25 N HA -0.245 4.495 4.740 -0.000 0.000 0.249 25 N C 0.013 175.216 175.510 -0.512 0.000 1.072 25 N CA 1.299 54.142 53.050 -0.345 0.000 0.710 25 N CB -1.060 37.331 38.487 -0.161 0.000 0.993 25 N HN 0.942 nan 8.380 nan 0.000 0.547 26 N N -1.508 116.632 118.700 -0.933 0.000 2.741 26 N HA -0.240 4.500 4.740 -0.000 0.000 0.251 26 N C -0.870 174.126 175.510 -0.855 0.000 1.112 26 N CA 1.217 53.714 53.050 -0.921 0.000 0.750 26 N CB -0.409 37.904 38.487 -0.290 0.000 1.119 26 N HN 0.606 nan 8.380 nan 0.000 0.561 27 E N -0.841 118.717 120.200 -1.069 0.000 2.288 27 E HA 0.343 4.693 4.350 -0.000 0.000 0.268 27 E C -1.021 174.938 176.600 -1.069 0.000 0.885 27 E CA -0.701 55.204 56.400 -0.824 0.000 0.767 27 E CB 1.178 30.556 29.700 -0.535 0.000 1.220 27 E HN 0.135 nan 8.360 nan 0.000 0.427 28 W N 2.383 123.442 121.300 -0.402 0.000 2.331 28 W HA 0.253 4.913 4.660 -0.000 0.000 0.306 28 W C 0.159 176.494 176.519 -0.306 0.000 1.162 28 W CA -0.308 56.890 57.345 -0.245 0.000 1.232 28 W CB 0.716 30.157 29.460 -0.032 0.000 1.235 28 W HN 0.335 nan 8.180 nan 0.000 0.479 29 H N 1.666 120.888 119.070 0.253 0.000 2.747 29 H HA 0.284 4.840 4.556 -0.000 0.000 0.371 29 H C -0.402 175.025 175.328 0.164 0.000 1.161 29 H CA -0.900 55.239 56.048 0.151 0.000 1.167 29 H CB 1.506 31.311 29.762 0.071 0.000 1.732 29 H HN 0.287 nan 8.280 nan 0.000 0.544 30 D N 0.252 120.804 120.400 0.253 0.000 2.387 30 D HA 0.370 5.010 4.640 -0.000 0.000 0.251 30 D C 0.380 176.775 176.300 0.159 0.000 1.141 30 D CA -0.473 53.630 54.000 0.172 0.000 0.987 30 D CB 1.432 42.304 40.800 0.120 0.000 1.116 30 D HN 0.611 nan 8.370 nan 0.000 0.491 31 A N 0.471 123.373 122.820 0.137 0.000 2.425 31 A HA 0.137 4.457 4.320 -0.000 0.000 0.242 31 A C 1.536 179.174 177.584 0.089 0.000 1.077 31 A CA -0.454 51.657 52.037 0.124 0.000 0.781 31 A CB 0.344 19.425 19.000 0.135 0.000 1.020 31 A HN 0.402 nan 8.150 nan 0.000 0.494 32 V N 2.120 122.076 119.914 0.070 0.000 2.380 32 V HA -0.255 3.864 4.120 -0.000 0.000 0.251 32 V C 2.742 178.866 176.094 0.050 0.000 1.063 32 V CA 2.793 65.120 62.300 0.046 0.000 1.055 32 V CB -0.907 30.937 31.823 0.035 0.000 0.657 32 V HN 1.130 nan 8.190 nan 0.000 0.455 33 S N -0.854 114.884 115.700 0.064 0.000 2.522 33 S HA -0.096 4.374 4.470 -0.000 0.000 0.227 33 S C 1.413 176.051 174.600 0.063 0.000 0.986 33 S CA 0.778 59.015 58.200 0.061 0.000 0.929 33 S CB -0.316 62.927 63.200 0.072 0.000 0.769 33 S HN 0.547 nan 8.310 nan 0.000 0.529 34 R N -0.100 120.443 120.500 0.072 0.000 3.994 34 R HA -0.126 4.214 4.340 -0.000 0.000 0.403 34 R C -0.697 175.649 176.300 0.076 0.000 1.126 34 R CA 1.242 57.384 56.100 0.070 0.000 1.143 34 R CB -1.807 28.525 30.300 0.054 0.000 1.695 34 R HN 0.530 nan 8.270 nan 0.000 0.555 35 K N 0.636 121.093 120.400 0.096 0.000 2.202 35 K HA 0.268 4.588 4.320 -0.000 0.000 0.264 35 K C 0.407 177.089 176.600 0.138 0.000 1.010 35 K CA 0.694 57.050 56.287 0.115 0.000 0.940 35 K CB 1.000 33.582 32.500 0.137 0.000 0.983 35 K HN 0.201 nan 8.250 nan 0.000 0.475 36 T N -1.084 113.551 114.554 0.135 0.000 2.900 36 T HA 0.643 4.993 4.350 -0.000 0.000 0.303 36 T C -0.907 173.896 174.700 0.172 0.000 1.142 36 T CA -1.057 61.100 62.100 0.096 0.000 1.007 36 T CB 0.686 69.543 68.868 -0.018 0.000 1.156 36 T HN 0.460 nan 8.240 nan 0.000 0.490 37 F N -0.113 119.904 119.950 0.112 0.000 2.563 37 F HA 0.894 5.421 4.527 0.000 0.000 0.316 37 F C -3.058 172.791 175.800 0.081 0.000 1.076 37 F CA -3.011 55.079 58.000 0.149 0.000 0.921 37 F CB 1.540 40.710 39.000 0.284 0.000 1.209 37 F HN 0.403 nan 8.300 nan 0.000 0.462 38 P HA 0.209 nan 4.420 nan 0.000 0.281 38 P C -0.970 176.413 177.300 0.138 0.000 1.249 38 P CA -0.217 62.899 63.100 0.027 0.000 0.810 38 P CB 1.995 33.733 31.700 0.062 0.000 1.008 39 T N 1.122 115.690 114.554 0.024 0.000 2.829 39 T HA 0.422 4.772 4.350 -0.000 0.000 0.280 39 T C -0.580 174.144 174.700 0.040 0.000 0.999 39 T CA -0.539 61.609 62.100 0.080 0.000 0.983 39 T CB 0.461 69.354 68.868 0.042 0.000 0.968 39 T HN 0.067 nan 8.240 nan 0.000 0.446 40 V N 5.214 125.158 119.914 0.049 0.000 2.713 40 V HA 0.437 4.557 4.120 -0.000 0.000 0.307 40 V C 0.498 176.609 176.094 0.029 0.000 1.052 40 V CA -1.045 61.280 62.300 0.042 0.000 0.967 40 V CB 1.675 33.543 31.823 0.075 0.000 1.019 40 V HN 0.950 nan 8.190 nan 0.000 0.459 41 N N 4.709 123.423 118.700 0.022 0.000 2.437 41 N HA 0.258 4.998 4.740 -0.000 0.000 0.243 41 N C -1.533 173.983 175.510 0.009 0.000 1.041 41 N CA -1.524 51.533 53.050 0.011 0.000 0.940 41 N CB 1.454 39.947 38.487 0.010 0.000 1.133 41 N HN 0.410 nan 8.380 nan 0.000 0.506 42 P HA -0.089 nan 4.420 nan 0.000 0.225 42 P C 0.406 177.585 177.300 -0.203 0.000 1.148 42 P CA 0.981 64.107 63.100 0.044 0.000 0.779 42 P CB 0.350 32.063 31.700 0.021 0.000 0.780 43 S N -0.851 114.770 115.700 -0.132 0.000 2.496 43 S HA -0.007 4.463 4.470 -0.000 0.000 0.224 43 S C 1.689 176.315 174.600 0.044 0.000 0.996 43 S CA 1.521 59.699 58.200 -0.037 0.000 0.927 43 S CB -0.439 62.830 63.200 0.114 0.000 0.774 43 S HN 0.447 nan 8.310 nan 0.000 0.524 44 T N -3.479 111.037 114.554 -0.064 0.000 2.969 44 T HA 0.457 4.807 4.350 -0.000 0.000 0.258 44 T C 1.469 176.078 174.700 -0.151 0.000 0.962 44 T CA 0.717 62.774 62.100 -0.072 0.000 0.903 44 T CB 0.373 69.224 68.868 -0.028 0.000 1.177 44 T HN 0.437 nan 8.240 nan 0.000 0.511 45 G N 1.691 110.369 108.800 -0.202 0.000 2.184 45 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.264 45 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.264 45 G C -0.158 174.719 174.900 -0.039 0.000 0.975 45 G CA 0.213 45.211 45.100 -0.171 0.000 0.642 45 G HN 0.615 nan 8.290 nan 0.000 0.536 46 E N 0.056 120.235 120.200 -0.035 0.000 2.313 46 E HA 0.474 4.823 4.350 -0.000 0.000 0.272 46 E C 0.674 177.273 176.600 -0.003 0.000 1.038 46 E CA -0.688 55.702 56.400 -0.017 0.000 0.863 46 E CB 1.859 31.544 29.700 -0.025 0.000 1.060 46 E HN 0.129 nan 8.360 nan 0.000 0.402 47 V N 4.036 123.949 119.914 -0.002 0.000 2.529 47 V HA -0.029 4.091 4.120 -0.000 0.000 0.292 47 V C 1.675 177.757 176.094 -0.020 0.000 1.028 47 V CA 0.438 62.737 62.300 -0.002 0.000 1.074 47 V CB 0.128 31.949 31.823 -0.004 0.000 0.958 47 V HN 0.617 nan 8.190 nan 0.000 0.481 48 I N 3.964 124.519 120.570 -0.025 0.000 2.339 48 I HA 0.057 4.227 4.170 -0.000 0.000 0.245 48 I C 0.948 177.027 176.117 -0.064 0.000 1.096 48 I CA 1.210 62.485 61.300 -0.042 0.000 1.408 48 I CB 0.250 38.226 38.000 -0.039 0.000 1.092 48 I HN 0.879 nan 8.210 nan 0.000 0.423 49 C N -1.915 117.340 119.300 -0.075 0.000 3.216 49 C HA 0.507 4.967 4.460 -0.000 0.000 0.346 49 C C -0.893 174.015 174.990 -0.136 0.000 1.384 49 C CA -1.144 57.814 59.018 -0.100 0.000 1.208 49 C CB 1.061 28.731 27.740 -0.116 0.000 1.483 49 C HN 0.222 nan 8.230 nan 0.000 0.453 50 Q N 0.445 120.156 119.800 -0.150 0.000 2.235 50 Q HA 0.813 5.152 4.340 -0.000 0.000 0.250 50 Q C -0.713 175.106 176.000 -0.302 0.000 0.909 50 Q CA -0.211 55.468 55.803 -0.205 0.000 0.910 50 Q CB 1.567 30.232 28.738 -0.121 0.000 1.223 50 Q HN 0.814 nan 8.270 nan 0.000 0.432 51 V N 1.923 121.511 119.914 -0.545 0.000 2.789 51 V HA 0.736 4.856 4.120 -0.000 0.000 0.311 51 V C -0.633 175.204 176.094 -0.429 0.000 1.073 51 V CA -1.180 60.793 62.300 -0.545 0.000 0.921 51 V CB 1.841 33.193 31.823 -0.784 0.000 1.009 51 V HN 0.958 nan 8.190 nan 0.000 0.426 52 A N 2.269 125.021 122.820 -0.112 0.000 2.546 52 A HA 0.218 4.538 4.320 -0.000 0.000 0.243 52 A C 0.335 178.054 177.584 0.226 0.000 1.063 52 A CA 0.280 52.356 52.037 0.065 0.000 0.757 52 A CB -0.079 18.998 19.000 0.129 0.000 0.991 52 A HN 0.899 nan 8.150 nan 0.000 0.503 53 E N 2.687 123.070 120.200 0.305 0.000 2.042 53 E HA 0.383 4.733 4.350 -0.000 0.000 0.260 53 E C 0.632 177.395 176.600 0.270 0.000 0.975 53 E CA -0.325 56.334 56.400 0.432 0.000 0.799 53 E CB 0.297 30.297 29.700 0.499 0.000 1.131 53 E HN 0.836 nan 8.360 nan 0.000 0.423 54 G N 3.248 112.185 108.800 0.230 0.000 2.544 54 G HA2 0.068 4.028 3.960 -0.000 0.000 0.242 54 G HA3 0.068 4.028 3.960 -0.000 0.000 0.242 54 G C -0.287 174.703 174.900 0.150 0.000 1.247 54 G CA -0.138 45.064 45.100 0.170 0.000 0.840 54 G HN 0.571 nan 8.290 nan 0.000 0.578 55 D N -0.753 119.721 120.400 0.124 0.000 2.812 55 D HA 0.212 4.852 4.640 -0.000 0.000 0.318 55 D C 1.179 177.534 176.300 0.091 0.000 1.234 55 D CA -0.828 53.237 54.000 0.108 0.000 0.989 55 D CB 1.432 42.291 40.800 0.100 0.000 1.442 55 D HN 0.179 nan 8.370 nan 0.000 0.537 56 K N 0.362 120.808 120.400 0.077 0.000 2.097 56 K HA -0.229 4.091 4.320 -0.000 0.000 0.214 56 K C 1.495 178.141 176.600 0.077 0.000 1.052 56 K CA 1.780 58.110 56.287 0.072 0.000 0.932 56 K CB -0.100 32.428 32.500 0.047 0.000 0.716 56 K HN 0.422 nan 8.250 nan 0.000 0.455 57 E N -0.063 120.175 120.200 0.064 0.000 2.150 57 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 57 E C 1.680 178.317 176.600 0.061 0.000 0.985 57 E CA 1.037 57.471 56.400 0.056 0.000 0.814 57 E CB 0.018 29.743 29.700 0.042 0.000 0.752 57 E HN 0.388 nan 8.360 nan 0.000 0.466 58 D N 0.331 120.774 120.400 0.072 0.000 2.162 58 D HA -0.087 4.553 4.640 -0.000 0.000 0.203 58 D C 2.097 178.441 176.300 0.074 0.000 0.967 58 D CA 0.683 54.728 54.000 0.074 0.000 0.840 58 D CB 0.081 40.940 40.800 0.098 0.000 0.972 58 D HN 0.041 nan 8.370 nan 0.000 0.482 59 V N 1.981 121.947 119.914 0.087 0.000 2.490 59 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 59 V C 1.911 178.054 176.094 0.082 0.000 1.061 59 V CA 1.565 63.916 62.300 0.085 0.000 1.064 59 V CB -0.339 31.552 31.823 0.114 0.000 0.670 59 V HN 0.031 nan 8.190 nan 0.000 0.461 60 D N 0.018 120.495 120.400 0.128 0.000 2.117 60 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 60 D C 2.267 178.612 176.300 0.076 0.000 0.987 60 D CA 1.166 55.270 54.000 0.173 0.000 0.829 60 D CB -0.130 40.762 40.800 0.153 0.000 0.961 60 D HN 0.398 nan 8.370 nan 0.000 0.460 61 K N 0.530 120.956 120.400 0.044 0.000 2.057 61 K HA -0.039 4.281 4.320 -0.000 0.000 0.207 61 K C 2.120 178.718 176.600 -0.004 0.000 1.049 61 K CA 1.079 57.372 56.287 0.010 0.000 0.931 61 K CB -0.044 32.451 32.500 -0.008 0.000 0.714 61 K HN 0.007 nan 8.250 nan 0.000 0.440 62 A N 0.865 123.685 122.820 -0.000 0.000 1.877 62 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 62 A C 2.332 179.882 177.584 -0.057 0.000 1.186 62 A CA 1.456 53.481 52.037 -0.020 0.000 0.620 62 A CB -0.701 18.298 19.000 -0.002 0.000 0.822 62 A HN 0.081 nan 8.150 nan 0.000 0.443 63 V N 0.204 120.058 119.914 -0.101 0.000 2.407 63 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 63 V C 2.441 178.473 176.094 -0.103 0.000 1.055 63 V CA 2.344 64.532 62.300 -0.187 0.000 1.049 63 V CB -0.633 30.878 31.823 -0.520 0.000 0.662 63 V HN 0.545 nan 8.190 nan 0.000 0.455 64 K N 0.026 120.397 120.400 -0.048 0.000 2.097 64 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 64 K C 2.276 178.874 176.600 -0.003 0.000 1.050 64 K CA 1.327 57.611 56.287 -0.006 0.000 0.938 64 K CB -0.318 32.191 32.500 0.015 0.000 0.718 64 K HN 0.484 nan 8.250 nan 0.000 0.442 65 A N 1.557 124.365 122.820 -0.019 0.000 1.898 65 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 65 A C 2.366 179.943 177.584 -0.012 0.000 1.181 65 A CA 1.649 53.673 52.037 -0.022 0.000 0.620 65 A CB -0.567 18.405 19.000 -0.048 0.000 0.819 65 A HN 0.305 nan 8.150 nan 0.000 0.442 66 A N 0.085 122.890 122.820 -0.024 0.000 1.858 66 A HA -0.164 4.155 4.320 -0.000 0.000 0.216 66 A C 2.174 179.796 177.584 0.063 0.000 1.190 66 A CA 2.207 54.237 52.037 -0.011 0.000 0.617 66 A CB -0.520 18.448 19.000 -0.053 0.000 0.827 66 A HN 0.456 nan 8.150 nan 0.000 0.443 67 R N 0.333 120.861 120.500 0.046 0.000 2.103 67 R HA -0.124 4.216 4.340 -0.000 0.000 0.242 67 R C 2.051 178.446 176.300 0.158 0.000 1.142 67 R CA 2.198 58.364 56.100 0.111 0.000 0.960 67 R CB -0.930 29.407 30.300 0.062 0.000 0.858 67 R HN 0.421 nan 8.270 nan 0.000 0.439 68 A N -0.106 122.773 122.820 0.098 0.000 1.930 68 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 68 A C 2.325 179.976 177.584 0.112 0.000 1.175 68 A CA 1.509 53.599 52.037 0.088 0.000 0.627 68 A CB -0.887 18.142 19.000 0.049 0.000 0.815 68 A HN 0.481 nan 8.150 nan 0.000 0.443 69 A N -1.947 120.947 122.820 0.124 0.000 2.067 69 A HA 0.049 4.369 4.320 -0.000 0.000 0.219 69 A C 1.756 179.503 177.584 0.272 0.000 1.158 69 A CA 1.244 53.371 52.037 0.150 0.000 0.661 69 A CB -0.539 18.506 19.000 0.075 0.000 0.801 69 A HN 0.567 nan 8.150 nan 0.000 0.452 70 F N 0.478 120.504 119.950 0.127 0.000 2.765 70 F HA 0.171 4.698 4.527 -0.000 0.000 0.302 70 F C 0.716 176.589 175.800 0.122 0.000 1.111 70 F CA -0.185 57.915 58.000 0.168 0.000 1.359 70 F CB 0.116 39.199 39.000 0.138 0.000 1.097 70 F HN 0.114 nan 8.300 nan 0.000 0.577 71 Q N 1.572 121.407 119.800 0.058 0.000 2.330 71 Q HA 0.020 4.360 4.340 -0.000 0.000 0.279 71 Q C -0.178 175.763 176.000 -0.099 0.000 1.024 71 Q CA -0.152 55.642 55.803 -0.014 0.000 0.900 71 Q CB 0.792 29.552 28.738 0.037 0.000 1.221 71 Q HN 0.220 nan 8.270 nan 0.000 0.396 72 L N 1.656 122.813 121.223 -0.109 0.000 2.601 72 L HA 0.089 4.429 4.340 -0.000 0.000 0.277 72 L C 1.273 178.110 176.870 -0.055 0.000 1.219 72 L CA 2.192 56.969 54.840 -0.105 0.000 0.915 72 L CB 0.031 42.049 42.059 -0.069 0.000 1.160 72 L HN 0.945 nan 8.230 nan 0.000 0.494 73 G N 1.806 110.573 108.800 -0.054 0.000 2.194 73 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.236 73 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.236 73 G C 0.361 175.256 174.900 -0.008 0.000 0.987 73 G CA 0.305 45.389 45.100 -0.026 0.000 0.635 73 G HN 1.073 nan 8.290 nan 0.000 0.520 74 S N 0.663 116.363 115.700 -0.001 0.000 2.608 74 S HA 0.573 5.043 4.470 -0.000 0.000 0.261 74 S C -0.541 174.102 174.600 0.072 0.000 1.314 74 S CA -0.149 58.079 58.200 0.046 0.000 0.992 74 S CB 1.909 65.157 63.200 0.080 0.000 0.935 74 S HN -0.008 nan 8.310 nan 0.000 0.564 75 P HA -0.109 nan 4.420 nan 0.000 0.215 75 P C 1.286 178.715 177.300 0.216 0.000 1.157 75 P CA 1.307 64.485 63.100 0.130 0.000 0.874 75 P CB -0.138 31.647 31.700 0.142 0.000 0.790 76 W N 0.042 121.371 121.300 0.048 0.000 2.363 76 W HA -0.149 4.511 4.660 -0.000 0.000 0.296 76 W C 1.635 178.182 176.519 0.047 0.000 1.212 76 W CA 0.761 58.155 57.345 0.081 0.000 1.260 76 W CB -0.031 29.506 29.460 0.129 0.000 1.131 76 W HN -0.132 nan 8.180 nan 0.000 0.530 77 R N 0.094 120.604 120.500 0.016 0.000 2.161 77 R HA 0.011 4.351 4.340 -0.000 0.000 0.213 77 R C 2.047 178.264 176.300 -0.137 0.000 1.055 77 R CA 0.701 56.706 56.100 -0.158 0.000 0.996 77 R CB -0.548 29.635 30.300 -0.195 0.000 0.901 77 R HN 0.300 nan 8.270 nan 0.000 0.456 78 R N -0.000 120.455 120.500 -0.074 0.000 2.173 78 R HA 0.167 4.506 4.340 -0.000 0.000 0.208 78 R C 1.188 177.444 176.300 -0.074 0.000 1.035 78 R CA -0.156 55.906 56.100 -0.063 0.000 1.004 78 R CB -0.024 30.255 30.300 -0.034 0.000 0.917 78 R HN 0.103 nan 8.270 nan 0.000 0.462 79 M N 2.414 121.968 119.600 -0.078 0.000 2.248 79 M HA -0.071 4.409 4.480 -0.000 0.000 0.343 79 M C -0.715 175.529 176.300 -0.092 0.000 1.243 79 M CA 0.570 55.824 55.300 -0.077 0.000 1.025 79 M CB 0.494 33.074 32.600 -0.034 0.000 1.759 79 M HN -0.055 nan 8.290 nan 0.000 0.452 80 D N 4.075 124.445 120.400 -0.050 0.000 2.443 80 D HA 0.073 4.712 4.640 -0.000 0.000 0.239 80 D C 0.843 177.130 176.300 -0.021 0.000 1.136 80 D CA 0.631 54.616 54.000 -0.026 0.000 0.879 80 D CB 1.052 41.854 40.800 0.004 0.000 1.195 80 D HN 0.787 nan 8.370 nan 0.000 0.443 81 A N 2.298 125.099 122.820 -0.032 0.000 1.940 81 A HA -0.220 4.099 4.320 -0.000 0.000 0.219 81 A C 2.131 179.718 177.584 0.005 0.000 1.176 81 A CA 2.196 54.214 52.037 -0.031 0.000 0.631 81 A CB -0.596 18.399 19.000 -0.008 0.000 0.814 81 A HN 0.604 nan 8.150 nan 0.000 0.446 82 S N -1.153 114.562 115.700 0.024 0.000 2.419 82 S HA -0.254 4.216 4.470 -0.000 0.000 0.233 82 S C 1.825 176.448 174.600 0.039 0.000 1.016 82 S CA 1.634 59.852 58.200 0.031 0.000 0.974 82 S CB -0.700 62.520 63.200 0.033 0.000 0.786 82 S HN 0.741 nan 8.310 nan 0.000 0.492 83 H N 1.368 120.419 119.070 -0.032 0.000 2.428 83 H HA 0.250 4.806 4.556 -0.000 0.000 0.296 83 H C 2.327 177.639 175.328 -0.026 0.000 1.062 83 H CA 1.297 57.326 56.048 -0.032 0.000 1.350 83 H CB -0.045 29.695 29.762 -0.036 0.000 1.403 83 H HN 0.340 nan 8.280 nan 0.000 0.533 84 R N -0.747 119.746 120.500 -0.012 0.000 2.081 84 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 84 R C 2.511 178.833 176.300 0.037 0.000 1.131 84 R CA 1.049 57.163 56.100 0.023 0.000 0.960 84 R CB -0.450 29.836 30.300 -0.023 0.000 0.856 84 R HN 0.426 nan 8.270 nan 0.000 0.436 85 G N 1.108 109.917 108.800 0.015 0.000 2.418 85 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.217 85 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.217 85 G C 1.413 176.292 174.900 -0.035 0.000 1.158 85 G CA 0.304 45.417 45.100 0.023 0.000 0.771 85 G HN 0.135 nan 8.290 nan 0.000 0.545 86 R N 0.165 120.587 120.500 -0.131 0.000 2.081 86 R HA 0.064 4.404 4.340 -0.000 0.000 0.235 86 R C 2.661 178.827 176.300 -0.223 0.000 1.131 86 R CA 0.627 56.612 56.100 -0.191 0.000 0.960 86 R CB -1.076 29.032 30.300 -0.320 0.000 0.856 86 R HN 0.410 nan 8.270 nan 0.000 0.436 87 L N 0.403 121.426 121.223 -0.334 0.000 2.046 87 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 87 L C 2.503 179.301 176.870 -0.121 0.000 1.077 87 L CA 1.024 55.607 54.840 -0.429 0.000 0.747 87 L CB -0.457 41.066 42.059 -0.892 0.000 0.896 87 L HN 0.105 nan 8.230 nan 0.000 0.432 88 L N -0.392 120.892 121.223 0.101 0.000 2.083 88 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 88 L C 2.372 179.333 176.870 0.152 0.000 1.083 88 L CA 0.965 55.961 54.840 0.260 0.000 0.752 88 L CB -0.501 41.716 42.059 0.263 0.000 0.899 88 L HN 0.356 nan 8.230 nan 0.000 0.433 89 N N -0.226 118.517 118.700 0.071 0.000 2.188 89 N HA -0.181 4.559 4.740 -0.000 0.000 0.184 89 N C 1.946 177.482 175.510 0.043 0.000 1.018 89 N CA 0.847 53.927 53.050 0.050 0.000 0.858 89 N CB -0.161 38.334 38.487 0.015 0.000 0.989 89 N HN 0.137 nan 8.380 nan 0.000 0.426 90 R N 1.416 121.926 120.500 0.016 0.000 2.073 90 R HA -0.019 4.321 4.340 -0.000 0.000 0.234 90 R C 2.014 178.354 176.300 0.067 0.000 1.134 90 R CA 0.863 56.973 56.100 0.016 0.000 0.952 90 R CB -1.075 29.201 30.300 -0.039 0.000 0.850 90 R HN 0.191 nan 8.270 nan 0.000 0.433 91 L N 0.308 121.606 121.223 0.125 0.000 2.083 91 L HA 0.039 4.378 4.340 -0.000 0.000 0.209 91 L C 2.036 178.977 176.870 0.118 0.000 1.083 91 L CA 2.233 57.172 54.840 0.164 0.000 0.752 91 L CB -1.023 41.200 42.059 0.273 0.000 0.899 91 L HN 0.261 nan 8.230 nan 0.000 0.433 92 A N -1.010 121.876 122.820 0.110 0.000 1.930 92 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 92 A C 1.995 179.623 177.584 0.074 0.000 1.175 92 A CA 1.639 53.730 52.037 0.091 0.000 0.627 92 A CB -0.732 18.323 19.000 0.091 0.000 0.815 92 A HN 0.500 nan 8.150 nan 0.000 0.443 93 D N 0.189 120.629 120.400 0.067 0.000 2.117 93 D HA -0.118 4.521 4.640 -0.000 0.000 0.197 93 D C 1.925 178.264 176.300 0.066 0.000 0.987 93 D CA 1.111 55.146 54.000 0.057 0.000 0.829 93 D CB -0.310 40.517 40.800 0.045 0.000 0.961 93 D HN 0.460 nan 8.370 nan 0.000 0.460 94 L N 0.294 121.561 121.223 0.074 0.000 2.093 94 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 94 L C 2.475 179.413 176.870 0.114 0.000 1.085 94 L CA 0.565 55.455 54.840 0.084 0.000 0.755 94 L CB -0.233 41.870 42.059 0.074 0.000 0.904 94 L HN 0.013 nan 8.230 nan 0.000 0.435 95 I N -0.222 120.414 120.570 0.110 0.000 2.315 95 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 95 I C 2.588 178.768 176.117 0.105 0.000 1.117 95 I CA 1.222 62.598 61.300 0.127 0.000 1.404 95 I CB -0.184 37.876 38.000 0.099 0.000 1.071 95 I HN 0.325 nan 8.210 nan 0.000 0.419 96 E N 1.316 121.562 120.200 0.077 0.000 2.106 96 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 96 E C 2.387 179.038 176.600 0.085 0.000 0.984 96 E CA 0.835 57.270 56.400 0.058 0.000 0.806 96 E CB 0.013 29.740 29.700 0.045 0.000 0.750 96 E HN 0.280 nan 8.360 nan 0.000 0.458 97 R N 0.414 120.970 120.500 0.095 0.000 2.073 97 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 97 R C 0.561 176.940 176.300 0.131 0.000 1.134 97 R CA 1.902 58.062 56.100 0.100 0.000 0.952 97 R CB -0.036 30.316 30.300 0.087 0.000 0.850 97 R HN 0.133 nan 8.270 nan 0.000 0.433 98 D N -0.015 120.485 120.400 0.167 0.000 2.336 98 D HA 0.002 4.642 4.640 -0.000 0.000 0.228 98 D C 1.224 177.667 176.300 0.239 0.000 1.120 98 D CA -0.013 54.121 54.000 0.224 0.000 0.839 98 D CB 0.088 41.080 40.800 0.319 0.000 0.932 98 D HN 0.271 nan 8.370 nan 0.000 0.509 99 R N 0.631 121.239 120.500 0.180 0.000 2.115 99 R HA -0.176 4.164 4.340 -0.000 0.000 0.239 99 R C 1.491 177.943 176.300 0.253 0.000 1.133 99 R CA 1.984 58.164 56.100 0.132 0.000 0.935 99 R CB -0.218 30.099 30.300 0.029 0.000 0.853 99 R HN 0.027 nan 8.270 nan 0.000 0.433 100 T N 0.129 114.918 114.554 0.391 0.000 2.684 100 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 100 T C 1.438 176.361 174.700 0.372 0.000 1.036 100 T CA 1.726 64.114 62.100 0.481 0.000 1.148 100 T CB -0.636 68.448 68.868 0.361 0.000 0.863 100 T HN 0.435 nan 8.240 nan 0.000 0.436 101 Y N 1.966 122.362 120.300 0.160 0.000 2.070 101 Y HA -0.112 4.438 4.550 -0.000 0.000 0.280 101 Y C 2.107 178.042 175.900 0.059 0.000 1.148 101 Y CA 1.124 59.265 58.100 0.068 0.000 1.125 101 Y CB -0.734 37.706 38.460 -0.033 0.000 0.975 101 Y HN 0.100 nan 8.280 nan 0.000 0.492 102 L N -0.041 121.134 121.223 -0.080 0.000 2.043 102 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 102 L C 2.786 179.623 176.870 -0.055 0.000 1.075 102 L CA 1.328 56.078 54.840 -0.150 0.000 0.752 102 L CB -1.035 41.055 42.059 0.051 0.000 0.891 102 L HN 0.433 nan 8.230 nan 0.000 0.432 103 A N -0.222 122.663 122.820 0.108 0.000 1.933 103 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 103 A C 2.506 180.268 177.584 0.297 0.000 1.175 103 A CA 1.718 53.875 52.037 0.199 0.000 0.628 103 A CB -0.614 18.573 19.000 0.311 0.000 0.814 103 A HN 0.425 nan 8.150 nan 0.000 0.444 104 A N -0.708 122.304 122.820 0.321 0.000 1.898 104 A HA 0.025 4.345 4.320 -0.000 0.000 0.216 104 A C 2.100 179.764 177.584 0.133 0.000 1.181 104 A CA 1.613 53.828 52.037 0.296 0.000 0.620 104 A CB -0.570 18.522 19.000 0.153 0.000 0.819 104 A HN 0.578 nan 8.150 nan 0.000 0.442 105 L N -0.123 121.021 121.223 -0.132 0.000 2.083 105 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 105 L C 2.242 179.063 176.870 -0.081 0.000 1.083 105 L CA 2.567 57.290 54.840 -0.194 0.000 0.752 105 L CB -0.550 41.228 42.059 -0.467 0.000 0.899 105 L HN 0.519 nan 8.230 nan 0.000 0.433 106 E N -1.103 119.060 120.200 -0.061 0.000 2.051 106 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 106 E C 2.037 178.604 176.600 -0.054 0.000 0.991 106 E CA 2.040 58.415 56.400 -0.041 0.000 0.799 106 E CB -0.348 29.338 29.700 -0.024 0.000 0.748 106 E HN 0.460 nan 8.360 nan 0.000 0.449 107 T N 0.930 115.442 114.554 -0.070 0.000 2.720 107 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 107 T C 1.702 176.316 174.700 -0.144 0.000 1.037 107 T CA 1.245 63.225 62.100 -0.199 0.000 1.144 107 T CB -0.393 68.177 68.868 -0.496 0.000 0.864 107 T HN 0.096 nan 8.240 nan 0.000 0.444 108 L N 1.293 122.521 121.223 0.010 0.000 2.012 108 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 108 L C 2.071 178.952 176.870 0.018 0.000 1.073 108 L CA 1.938 56.839 54.840 0.102 0.000 0.748 108 L CB -0.539 41.592 42.059 0.120 0.000 0.891 108 L HN 0.096 nan 8.230 nan 0.000 0.431 109 D N -1.721 118.673 120.400 -0.010 0.000 2.213 109 D HA -0.138 4.502 4.640 -0.000 0.000 0.205 109 D C 1.936 178.217 176.300 -0.031 0.000 0.961 109 D CA 0.798 54.789 54.000 -0.016 0.000 0.853 109 D CB 0.026 40.820 40.800 -0.010 0.000 0.967 109 D HN 0.429 nan 8.370 nan 0.000 0.496 110 N N -0.828 117.842 118.700 -0.049 0.000 2.432 110 N HA -0.026 4.713 4.740 -0.000 0.000 0.174 110 N C 1.317 176.764 175.510 -0.106 0.000 1.037 110 N CA 1.405 54.417 53.050 -0.064 0.000 0.892 110 N CB 0.820 39.269 38.487 -0.064 0.000 1.049 110 N HN 0.229 nan 8.380 nan 0.000 0.442 111 G N 1.589 110.315 108.800 -0.123 0.000 2.213 111 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.236 111 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.236 111 G C -0.058 174.743 174.900 -0.164 0.000 0.991 111 G CA 0.445 45.452 45.100 -0.155 0.000 0.629 111 G HN 0.673 nan 8.290 nan 0.000 0.517 112 K N 1.037 121.338 120.400 -0.163 0.000 2.355 112 K HA 0.477 4.797 4.320 -0.000 0.000 0.270 112 K C -2.627 173.893 176.600 -0.133 0.000 1.003 112 K CA -1.333 54.861 56.287 -0.154 0.000 0.957 112 K CB 0.582 32.974 32.500 -0.179 0.000 0.939 112 K HN 0.061 nan 8.250 nan 0.000 0.482 113 P HA -0.143 nan 4.420 nan 0.000 0.263 113 P C -0.313 176.966 177.300 -0.036 0.000 1.175 113 P CA 0.087 63.160 63.100 -0.044 0.000 0.761 113 P CB 0.113 31.827 31.700 0.023 0.000 0.794 114 Y N 4.809 124.985 120.300 -0.206 0.000 2.165 114 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 114 Y C 1.869 177.785 175.900 0.026 0.000 1.155 114 Y CA 1.725 59.739 58.100 -0.143 0.000 1.164 114 Y CB -0.893 37.483 38.460 -0.140 0.000 0.978 114 Y HN 0.089 nan 8.280 nan 0.000 0.513 115 V N 0.490 120.355 119.914 -0.082 0.000 2.332 115 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 115 V C 2.386 178.445 176.094 -0.058 0.000 1.055 115 V CA 1.911 64.134 62.300 -0.128 0.000 1.038 115 V CB -0.639 31.191 31.823 0.012 0.000 0.651 115 V HN 0.449 nan 8.190 nan 0.000 0.450 116 I N -0.517 120.059 120.570 0.010 0.000 2.353 116 I HA -0.133 4.036 4.170 -0.000 0.000 0.248 116 I C 2.578 178.723 176.117 0.047 0.000 1.119 116 I CA 1.375 62.725 61.300 0.085 0.000 1.417 116 I CB -1.354 36.740 38.000 0.157 0.000 1.078 116 I HN 0.264 nan 8.210 nan 0.000 0.421 117 S N 0.034 115.723 115.700 -0.018 0.000 2.368 117 S HA -0.219 4.251 4.470 -0.000 0.000 0.225 117 S C 2.025 176.593 174.600 -0.053 0.000 1.030 117 S CA 1.307 59.493 58.200 -0.023 0.000 0.999 117 S CB -0.351 62.841 63.200 -0.013 0.000 0.844 117 S HN 0.452 nan 8.310 nan 0.000 0.459 118 Y N 1.487 121.622 120.300 -0.275 0.000 2.176 118 Y HA 0.088 4.638 4.550 -0.000 0.000 0.291 118 Y C 1.862 177.687 175.900 -0.126 0.000 1.122 118 Y CA 1.330 59.272 58.100 -0.263 0.000 1.128 118 Y CB -0.146 37.993 38.460 -0.534 0.000 1.005 118 Y HN 0.122 nan 8.280 nan 0.000 0.509 119 L N -1.423 119.835 121.223 0.058 0.000 2.270 119 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 119 L C 1.672 178.544 176.870 0.002 0.000 1.104 119 L CA 0.352 55.217 54.840 0.042 0.000 0.804 119 L CB -0.198 41.918 42.059 0.095 0.000 0.937 119 L HN 0.145 nan 8.230 nan 0.000 0.450 120 V N -1.041 118.889 119.914 0.027 0.000 2.868 120 V HA -0.045 4.075 4.120 -0.000 0.000 0.227 120 V C 1.692 177.799 176.094 0.022 0.000 1.136 120 V CA 0.872 63.206 62.300 0.056 0.000 1.206 120 V CB -0.294 31.628 31.823 0.166 0.000 0.997 120 V HN 0.165 nan 8.190 nan 0.000 0.505 121 D N 0.862 121.287 120.400 0.043 0.000 2.137 121 D HA -0.213 4.427 4.640 -0.000 0.000 0.189 121 D C 1.956 178.221 176.300 -0.059 0.000 0.998 121 D CA 1.700 55.699 54.000 -0.001 0.000 0.839 121 D CB -0.396 40.425 40.800 0.035 0.000 0.962 121 D HN 0.208 nan 8.370 nan 0.000 0.446 122 L N 0.155 121.326 121.223 -0.087 0.000 2.131 122 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 122 L C 1.849 178.655 176.870 -0.106 0.000 1.092 122 L CA 1.225 55.999 54.840 -0.111 0.000 0.759 122 L CB -0.306 41.649 42.059 -0.173 0.000 0.903 122 L HN 0.017 nan 8.230 nan 0.000 0.435 123 D N -0.562 119.769 120.400 -0.114 0.000 2.117 123 D HA -0.218 4.422 4.640 -0.000 0.000 0.197 123 D C 2.240 178.529 176.300 -0.019 0.000 0.987 123 D CA 1.448 55.405 54.000 -0.072 0.000 0.829 123 D CB 0.068 40.834 40.800 -0.057 0.000 0.961 123 D HN 0.205 nan 8.370 nan 0.000 0.460 124 M N -0.488 119.101 119.600 -0.017 0.000 2.254 124 M HA -0.079 4.400 4.480 -0.000 0.000 0.265 124 M C 2.163 178.479 176.300 0.026 0.000 1.066 124 M CA 0.482 55.792 55.300 0.016 0.000 1.123 124 M CB 0.079 32.673 32.600 -0.010 0.000 1.388 124 M HN 0.002 nan 8.290 nan 0.000 0.425 125 V N 1.156 121.056 119.914 -0.023 0.000 2.295 125 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 125 V C 2.316 178.445 176.094 0.059 0.000 1.049 125 V CA 1.720 64.017 62.300 -0.005 0.000 1.024 125 V CB -0.609 31.198 31.823 -0.027 0.000 0.648 125 V HN 0.448 nan 8.190 nan 0.000 0.447 126 L N -0.681 120.566 121.223 0.040 0.000 2.046 126 L HA -0.211 4.128 4.340 -0.000 0.000 0.208 126 L C 2.555 179.481 176.870 0.094 0.000 1.077 126 L CA 1.741 56.617 54.840 0.060 0.000 0.747 126 L CB -0.601 41.474 42.059 0.027 0.000 0.896 126 L HN 0.272 nan 8.230 nan 0.000 0.432 127 K N -0.971 119.485 120.400 0.093 0.000 2.097 127 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 127 K C 2.304 179.018 176.600 0.190 0.000 1.050 127 K CA 1.375 57.732 56.287 0.117 0.000 0.938 127 K CB -0.378 32.174 32.500 0.086 0.000 0.718 127 K HN 0.353 nan 8.250 nan 0.000 0.442 128 C N 1.156 120.595 119.300 0.231 0.000 2.436 128 C HA -0.079 4.381 4.460 -0.000 0.000 0.277 128 C C 2.399 177.654 174.990 0.442 0.000 1.241 128 C CA 0.723 59.968 59.018 0.378 0.000 1.721 128 C CB -0.905 27.098 27.740 0.439 0.000 2.043 128 C HN 0.404 nan 8.230 nan 0.000 0.472 129 L N 0.188 121.596 121.223 0.308 0.000 2.046 129 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 129 L C 2.980 179.999 176.870 0.249 0.000 1.077 129 L CA 1.783 56.790 54.840 0.278 0.000 0.747 129 L CB -0.695 41.475 42.059 0.185 0.000 0.896 129 L HN 0.334 nan 8.230 nan 0.000 0.432 130 R N -1.407 119.206 120.500 0.189 0.000 2.115 130 R HA -0.192 4.148 4.340 -0.000 0.000 0.230 130 R C 2.238 178.604 176.300 0.110 0.000 1.111 130 R CA 1.329 57.506 56.100 0.128 0.000 0.976 130 R CB -0.363 29.994 30.300 0.094 0.000 0.870 130 R HN 0.292 nan 8.270 nan 0.000 0.445 131 Y N -0.049 120.270 120.300 0.032 0.000 2.163 131 Y HA -0.239 4.311 4.550 -0.000 0.000 0.288 131 Y C 1.530 177.377 175.900 -0.089 0.000 1.136 131 Y CA 1.446 59.492 58.100 -0.090 0.000 1.147 131 Y CB -0.350 38.017 38.460 -0.155 0.000 0.987 131 Y HN -0.006 nan 8.280 nan 0.000 0.509 132 Y N -0.248 120.140 120.300 0.147 0.000 2.421 132 Y HA -0.083 4.467 4.550 -0.000 0.000 0.292 132 Y C 2.566 178.511 175.900 0.075 0.000 1.136 132 Y CA 0.710 58.891 58.100 0.134 0.000 1.255 132 Y CB -0.538 38.061 38.460 0.231 0.000 0.991 132 Y HN 0.272 nan 8.280 nan 0.000 0.552 133 A N 0.148 123.074 122.820 0.177 0.000 1.933 133 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 133 A C 2.524 180.119 177.584 0.019 0.000 1.175 133 A CA 1.764 53.868 52.037 0.113 0.000 0.628 133 A CB -1.376 17.674 19.000 0.084 0.000 0.814 133 A HN 0.464 nan 8.150 nan 0.000 0.444 134 G N -2.227 106.506 108.800 -0.112 0.000 2.443 134 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 134 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 134 G C 1.361 176.112 174.900 -0.248 0.000 1.131 134 G CA 0.681 45.640 45.100 -0.236 0.000 0.775 134 G HN 0.685 nan 8.290 nan 0.000 0.547 135 W N 0.752 121.940 121.300 -0.187 0.000 2.584 135 W HA 0.239 4.899 4.660 -0.000 0.000 0.264 135 W C 2.799 179.299 176.519 -0.032 0.000 1.264 135 W CA 0.237 57.507 57.345 -0.125 0.000 1.306 135 W CB 0.265 29.660 29.460 -0.108 0.000 1.110 135 W HN 0.264 nan 8.180 nan 0.000 0.606 136 A N 1.230 124.187 122.820 0.228 0.000 1.915 136 A HA -0.306 4.014 4.320 -0.000 0.000 0.220 136 A C 1.316 178.969 177.584 0.115 0.000 1.198 136 A CA 2.481 54.610 52.037 0.154 0.000 0.647 136 A CB -0.888 18.171 19.000 0.099 0.000 0.825 136 A HN 0.378 nan 8.150 nan 0.000 0.456 137 D N -2.342 118.108 120.400 0.083 0.000 2.593 137 D HA 0.229 4.869 4.640 -0.000 0.000 0.241 137 D C 0.458 176.758 176.300 -0.001 0.000 1.257 137 D CA -0.048 53.976 54.000 0.039 0.000 0.828 137 D CB 0.050 40.864 40.800 0.023 0.000 1.049 137 D HN 0.500 nan 8.370 nan 0.000 0.490 138 K N -0.597 119.833 120.400 0.050 0.000 2.477 138 K HA 0.054 4.374 4.320 -0.000 0.000 0.208 138 K C -0.503 176.023 176.600 -0.123 0.000 1.117 138 K CA -0.517 55.721 56.287 -0.082 0.000 1.039 138 K CB 0.843 33.393 32.500 0.084 0.000 0.937 138 K HN -0.026 nan 8.250 nan 0.000 0.570 139 Y N 2.927 123.160 120.300 -0.112 0.000 2.691 139 Y HA 0.155 4.704 4.550 -0.000 0.000 0.338 139 Y C -0.412 175.385 175.900 -0.172 0.000 1.148 139 Y CA -1.301 56.745 58.100 -0.089 0.000 1.430 139 Y CB -0.773 37.675 38.460 -0.021 0.000 1.303 139 Y HN 0.079 nan 8.280 nan 0.000 0.499 140 H N 1.478 120.475 119.070 -0.122 0.000 2.615 140 H HA 0.469 5.024 4.556 -0.000 0.000 0.363 140 H C 0.832 175.752 175.328 -0.681 0.000 1.148 140 H CA 0.329 56.212 56.048 -0.274 0.000 1.401 140 H CB 0.815 30.499 29.762 -0.130 0.000 1.461 140 H HN 0.735 nan 8.280 nan 0.000 0.588 141 G N 0.419 108.940 108.800 -0.465 0.000 2.532 141 G HA2 0.481 4.441 3.960 -0.000 0.000 0.291 141 G HA3 0.481 4.441 3.960 -0.000 0.000 0.291 141 G C -0.767 173.999 174.900 -0.222 0.000 1.349 141 G CA -0.901 43.830 45.100 -0.616 0.000 1.038 141 G HN 0.522 nan 8.290 nan 0.000 0.518 142 K N -0.863 119.475 120.400 -0.103 0.000 2.340 142 K HA 0.586 4.906 4.320 -0.000 0.000 0.244 142 K C -0.853 175.772 176.600 0.042 0.000 0.973 142 K CA -0.688 55.586 56.287 -0.022 0.000 0.828 142 K CB 2.097 34.593 32.500 -0.007 0.000 1.226 142 K HN 0.583 nan 8.250 nan 0.000 0.437 143 T N -0.897 113.694 114.554 0.063 0.000 2.809 143 T HA 0.542 4.892 4.350 -0.000 0.000 0.296 143 T C -0.166 174.591 174.700 0.094 0.000 1.015 143 T CA -0.727 61.447 62.100 0.125 0.000 0.954 143 T CB -0.162 68.838 68.868 0.220 0.000 0.950 143 T HN 0.346 nan 8.240 nan 0.000 0.450 144 I N 5.527 126.135 120.570 0.063 0.000 2.336 144 I HA 0.337 4.507 4.170 -0.000 0.000 0.292 144 I C -1.745 174.418 176.117 0.077 0.000 0.991 144 I CA -2.695 58.634 61.300 0.048 0.000 1.227 144 I CB 1.930 39.935 38.000 0.008 0.000 1.366 144 I HN 0.461 nan 8.210 nan 0.000 0.466 145 P HA 0.139 nan 4.420 nan 0.000 0.230 145 P C 0.006 177.351 177.300 0.075 0.000 1.791 145 P CA 0.134 63.284 63.100 0.083 0.000 1.020 145 P CB 0.099 31.836 31.700 0.062 0.000 1.977 146 I N 1.156 121.777 120.570 0.086 0.000 2.779 146 I HA 0.057 4.227 4.170 -0.000 0.000 0.285 146 I C 0.334 176.524 176.117 0.122 0.000 1.134 146 I CA -0.116 61.231 61.300 0.079 0.000 1.398 146 I CB 0.706 38.739 38.000 0.056 0.000 1.404 146 I HN 0.027 nan 8.210 nan 0.000 0.587 147 D N 4.415 124.880 120.400 0.108 0.000 2.382 147 D HA 0.441 5.081 4.640 -0.000 0.000 0.240 147 D C 0.331 176.776 176.300 0.242 0.000 1.146 147 D CA 1.126 55.203 54.000 0.128 0.000 0.897 147 D CB 0.923 41.776 40.800 0.090 0.000 1.197 147 D HN 0.920 nan 8.370 nan 0.000 0.432 148 G N 1.650 110.559 108.800 0.182 0.000 2.757 148 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.638 148 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.638 148 G C -0.823 174.057 174.900 -0.032 0.000 1.344 148 G CA -0.777 44.418 45.100 0.157 0.000 0.855 148 G HN 0.504 nan 8.290 nan 0.000 0.537 149 D N 0.947 121.106 120.400 -0.402 0.000 2.608 149 D HA 0.473 5.113 4.640 -0.000 0.000 0.224 149 D C -0.100 175.712 176.300 -0.813 0.000 1.123 149 D CA 0.986 54.712 54.000 -0.457 0.000 1.030 149 D CB -0.442 40.139 40.800 -0.364 0.000 1.093 149 D HN 0.274 nan 8.370 nan 0.000 0.497 150 F N 0.457 120.453 119.950 0.076 0.000 2.599 150 F HA 0.389 4.916 4.527 -0.000 0.000 0.311 150 F C -0.408 175.505 175.800 0.188 0.000 1.076 150 F CA -1.458 56.603 58.000 0.103 0.000 0.937 150 F CB 1.752 40.783 39.000 0.051 0.000 1.282 150 F HN -0.118 nan 8.300 nan 0.000 0.460 151 F N 2.155 122.252 119.950 0.244 0.000 2.403 151 F HA 0.663 5.189 4.527 -0.000 0.000 0.355 151 F C -0.601 175.322 175.800 0.205 0.000 1.119 151 F CA -0.988 57.126 58.000 0.189 0.000 1.007 151 F CB 1.136 40.236 39.000 0.168 0.000 1.194 151 F HN 0.265 nan 8.300 nan 0.000 0.443 152 S N 6.601 122.192 115.700 -0.182 0.000 2.482 152 S HA 0.805 5.275 4.470 -0.000 0.000 0.303 152 S C -1.424 172.969 174.600 -0.345 0.000 1.091 152 S CA -0.290 57.718 58.200 -0.322 0.000 1.057 152 S CB 0.693 63.812 63.200 -0.135 0.000 1.031 152 S HN 0.688 nan 8.310 nan 0.000 0.485 153 Y N 0.080 120.103 120.300 -0.462 0.000 2.638 153 Y HA 0.781 5.330 4.550 -0.000 0.000 0.335 153 Y C -0.593 175.196 175.900 -0.185 0.000 1.155 153 Y CA -1.067 56.841 58.100 -0.319 0.000 1.046 153 Y CB 0.812 39.034 38.460 -0.398 0.000 1.303 153 Y HN 0.546 nan 8.280 nan 0.000 0.460 154 T N -0.340 114.258 114.554 0.074 0.000 2.908 154 T HA 0.756 5.106 4.350 -0.000 0.000 0.290 154 T C -0.911 173.855 174.700 0.110 0.000 1.034 154 T CA -1.086 61.031 62.100 0.029 0.000 1.010 154 T CB 2.070 70.964 68.868 0.043 0.000 1.068 154 T HN 0.823 nan 8.240 nan 0.000 0.481 155 R N 0.530 121.098 120.500 0.112 0.000 2.562 155 R HA 0.374 4.714 4.340 -0.000 0.000 0.298 155 R C -0.605 175.823 176.300 0.214 0.000 0.961 155 R CA -0.741 55.432 56.100 0.121 0.000 0.881 155 R CB 1.355 31.733 30.300 0.131 0.000 1.159 155 R HN 0.742 nan 8.270 nan 0.000 0.450 156 H N 2.051 121.135 119.070 0.024 0.000 2.741 156 H HA 0.145 4.700 4.556 -0.000 0.000 0.282 156 H C -0.386 175.000 175.328 0.097 0.000 1.122 156 H CA -0.409 55.666 56.048 0.046 0.000 1.293 156 H CB 1.024 30.784 29.762 -0.004 0.000 1.415 156 H HN 0.341 nan 8.280 nan 0.000 0.472 157 E N 4.192 124.515 120.200 0.204 0.000 2.250 157 E HA 0.213 4.563 4.350 -0.000 0.000 0.269 157 E C -2.414 174.305 176.600 0.199 0.000 1.018 157 E CA -2.221 54.284 56.400 0.175 0.000 0.873 157 E CB 1.190 30.977 29.700 0.145 0.000 1.134 157 E HN 0.385 nan 8.360 nan 0.000 0.403 158 P HA -0.036 nan 4.420 nan 0.000 0.272 158 P C 0.616 178.054 177.300 0.230 0.000 1.223 158 P CA -0.062 63.205 63.100 0.278 0.000 0.784 158 P CB 0.700 32.663 31.700 0.439 0.000 0.923 159 V N 1.343 121.336 119.914 0.132 0.000 2.515 159 V HA 0.004 4.124 4.120 -0.000 0.000 0.250 159 V C 1.384 177.433 176.094 -0.075 0.000 1.058 159 V CA 2.724 65.050 62.300 0.042 0.000 1.064 159 V CB -1.257 30.575 31.823 0.015 0.000 0.675 159 V HN 1.051 nan 8.190 nan 0.000 0.461 160 G N -1.069 107.548 108.800 -0.306 0.000 2.348 160 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.199 160 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.199 160 G C -0.500 173.988 174.900 -0.686 0.000 1.235 160 G CA -0.256 44.274 45.100 -0.951 0.000 1.264 160 G HN 0.236 nan 8.290 nan 0.000 0.543 161 V N 1.182 120.829 119.914 -0.444 0.000 2.405 161 V HA 0.406 4.526 4.120 -0.000 0.000 0.264 161 V C 0.434 176.455 176.094 -0.121 0.000 1.048 161 V CA -0.192 61.965 62.300 -0.239 0.000 0.966 161 V CB 0.291 32.010 31.823 -0.173 0.000 1.015 161 V HN 0.798 nan 8.190 nan 0.000 0.477 162 C N 4.937 124.202 119.300 -0.059 0.000 2.273 162 C HA 0.690 5.149 4.460 -0.000 0.000 0.328 162 C C 1.058 176.064 174.990 0.027 0.000 1.275 162 C CA -0.850 58.186 59.018 0.030 0.000 1.704 162 C CB 0.256 28.091 27.740 0.159 0.000 2.326 162 C HN 0.996 nan 8.230 nan 0.000 0.517 163 G N 3.188 112.008 108.800 0.034 0.000 2.322 163 G HA2 0.546 4.506 3.960 -0.000 0.000 0.309 163 G HA3 0.546 4.506 3.960 -0.000 0.000 0.309 163 G C -0.864 174.083 174.900 0.078 0.000 1.121 163 G CA -0.170 44.955 45.100 0.040 0.000 0.886 163 G HN 0.809 nan 8.290 nan 0.000 0.447 164 Q N 1.803 121.648 119.800 0.075 0.000 2.309 164 Q HA 0.409 4.749 4.340 -0.000 0.000 0.270 164 Q C -0.927 175.125 176.000 0.086 0.000 1.023 164 Q CA -0.463 55.394 55.803 0.091 0.000 0.758 164 Q CB 2.707 31.489 28.738 0.074 0.000 1.247 164 Q HN 0.515 nan 8.270 nan 0.000 0.455 165 I N 4.694 125.334 120.570 0.116 0.000 2.330 165 I HA 0.427 4.597 4.170 -0.000 0.000 0.289 165 I C -0.140 175.985 176.117 0.014 0.000 1.001 165 I CA -0.688 60.688 61.300 0.126 0.000 1.193 165 I CB 0.900 39.080 38.000 0.301 0.000 1.345 165 I HN 0.525 nan 8.210 nan 0.000 0.461 166 I N 5.718 126.283 120.570 -0.008 0.000 2.603 166 I HA 0.736 4.906 4.170 -0.000 0.000 0.300 166 I C -2.603 173.464 176.117 -0.083 0.000 1.017 166 I CA -2.229 59.029 61.300 -0.071 0.000 1.098 166 I CB 2.092 40.074 38.000 -0.030 0.000 1.279 166 I HN 0.237 nan 8.210 nan 0.000 0.437 167 P HA 0.101 nan 4.420 nan 0.000 0.289 167 P C -0.139 177.066 177.300 -0.157 0.000 1.299 167 P CA -0.095 62.852 63.100 -0.254 0.000 0.766 167 P CB 0.555 31.998 31.700 -0.428 0.000 1.226 168 W N 0.175 121.461 121.300 -0.024 0.000 3.177 168 W HA 0.058 4.718 4.660 -0.000 0.000 0.309 168 W C 0.982 177.429 176.519 -0.120 0.000 1.224 168 W CA 0.114 57.427 57.345 -0.054 0.000 1.718 168 W CB -1.508 27.924 29.460 -0.047 0.000 1.078 168 W HN 0.205 nan 8.180 nan 0.000 0.618 169 N N 2.138 120.589 118.700 -0.414 0.000 2.223 169 N HA -0.193 4.546 4.740 -0.000 0.000 0.185 169 N C -0.100 174.896 175.510 -0.856 0.000 1.016 169 N CA 0.961 53.693 53.050 -0.529 0.000 0.863 169 N CB -1.124 36.941 38.487 -0.704 0.000 0.983 169 N HN 0.137 nan 8.380 nan 0.000 0.429 170 F N -0.426 119.419 119.950 -0.174 0.000 2.794 170 F HA 0.407 4.934 4.527 -0.000 0.000 0.353 170 F C -1.830 173.857 175.800 -0.188 0.000 1.371 170 F CA -2.003 55.871 58.000 -0.210 0.000 1.173 170 F CB 2.175 40.972 39.000 -0.338 0.000 1.693 170 F HN -0.187 nan 8.300 nan 0.000 0.606 171 P HA -0.239 nan 4.420 nan 0.000 0.214 171 P C 1.907 179.191 177.300 -0.027 0.000 1.172 171 P CA 1.804 64.901 63.100 -0.004 0.000 0.925 171 P CB 0.383 32.090 31.700 0.011 0.000 0.793 172 L N -2.059 119.146 121.223 -0.030 0.000 2.027 172 L HA -0.166 4.173 4.340 -0.000 0.000 0.206 172 L C 2.471 179.264 176.870 -0.128 0.000 1.074 172 L CA 1.032 55.842 54.840 -0.050 0.000 0.745 172 L CB -1.010 41.032 42.059 -0.029 0.000 0.898 172 L HN -0.019 nan 8.230 nan 0.000 0.433 173 L N -0.837 120.260 121.223 -0.210 0.000 2.046 173 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 173 L C 2.463 178.949 176.870 -0.640 0.000 1.077 173 L CA 1.781 56.324 54.840 -0.496 0.000 0.747 173 L CB -0.393 41.255 42.059 -0.685 0.000 0.896 173 L HN 0.180 nan 8.230 nan 0.000 0.432 174 M N -1.033 118.331 119.600 -0.394 0.000 2.159 174 M HA -0.225 4.255 4.480 -0.000 0.000 0.263 174 M C 2.264 178.518 176.300 -0.078 0.000 1.063 174 M CA 1.621 56.794 55.300 -0.212 0.000 1.110 174 M CB -1.101 31.443 32.600 -0.094 0.000 1.374 174 M HN 0.507 nan 8.290 nan 0.000 0.411 175 Q N 0.062 119.812 119.800 -0.085 0.000 2.050 175 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 175 Q C 2.039 178.018 176.000 -0.034 0.000 0.980 175 Q CA 2.161 57.936 55.803 -0.047 0.000 0.840 175 Q CB -0.032 28.679 28.738 -0.045 0.000 0.898 175 Q HN 0.478 nan 8.270 nan 0.000 0.424 176 A N 0.003 122.792 122.820 -0.051 0.000 1.902 176 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 176 A C 1.596 179.266 177.584 0.144 0.000 1.181 176 A CA 1.235 53.282 52.037 0.018 0.000 0.623 176 A CB -1.158 17.845 19.000 0.004 0.000 0.818 176 A HN 0.654 nan 8.150 nan 0.000 0.443 177 W N 0.425 121.720 121.300 -0.007 0.000 2.387 177 W HA -0.046 4.614 4.660 -0.000 0.000 0.272 177 W C 1.946 178.420 176.519 -0.076 0.000 1.224 177 W CA 1.264 58.608 57.345 -0.002 0.000 1.210 177 W CB -0.205 29.260 29.460 0.008 0.000 1.125 177 W HN 0.292 nan 8.180 nan 0.000 0.572 178 K N -0.633 119.841 120.400 0.125 0.000 2.168 178 K HA 0.113 4.433 4.320 -0.000 0.000 0.201 178 K C 2.067 178.565 176.600 -0.169 0.000 1.049 178 K CA 0.409 56.697 56.287 0.000 0.000 0.974 178 K CB -0.751 31.774 32.500 0.042 0.000 0.792 178 K HN 0.190 nan 8.250 nan 0.000 0.463 179 L N 0.517 121.665 121.223 -0.124 0.000 2.056 179 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 179 L C 2.456 179.210 176.870 -0.193 0.000 1.078 179 L CA 1.450 56.190 54.840 -0.168 0.000 0.749 179 L CB -1.089 40.891 42.059 -0.132 0.000 0.901 179 L HN 0.264 nan 8.230 nan 0.000 0.433 180 G N 1.291 109.992 108.800 -0.166 0.000 2.628 180 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 180 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 180 G C -0.525 174.065 174.900 -0.516 0.000 1.240 180 G CA 1.181 46.152 45.100 -0.215 0.000 0.792 180 G HN 0.314 nan 8.290 nan 0.000 0.593 181 P HA -0.025 nan 4.420 nan 0.000 0.216 181 P C 2.064 179.005 177.300 -0.598 0.000 1.153 181 P CA 2.095 64.731 63.100 -0.772 0.000 0.844 181 P CB -0.207 31.084 31.700 -0.682 0.000 0.787 182 A N 0.406 122.701 122.820 -0.875 0.000 1.877 182 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 182 A C 2.471 179.953 177.584 -0.170 0.000 1.186 182 A CA 1.531 53.113 52.037 -0.759 0.000 0.620 182 A CB -1.585 16.999 19.000 -0.694 0.000 0.822 182 A HN 0.129 nan 8.150 nan 0.000 0.443 183 L N -1.091 120.096 121.223 -0.060 0.000 2.131 183 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 183 L C 3.032 180.078 176.870 0.293 0.000 1.087 183 L CA 0.833 55.825 54.840 0.253 0.000 0.767 183 L CB -0.566 41.636 42.059 0.238 0.000 0.917 183 L HN 0.423 nan 8.230 nan 0.000 0.441 184 A N 0.252 123.160 122.820 0.147 0.000 2.019 184 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 184 A C 2.214 179.871 177.584 0.121 0.000 1.164 184 A CA 2.092 54.230 52.037 0.169 0.000 0.644 184 A CB -0.780 18.353 19.000 0.221 0.000 0.805 184 A HN 0.511 nan 8.150 nan 0.000 0.449 185 T N -4.498 110.109 114.554 0.089 0.000 3.144 185 T HA 0.421 4.771 4.350 -0.000 0.000 0.249 185 T C 1.187 175.962 174.700 0.126 0.000 1.089 185 T CA 0.928 63.091 62.100 0.104 0.000 0.989 185 T CB 0.038 68.966 68.868 0.099 0.000 0.992 185 T HN 1.677 nan 8.240 nan 0.000 0.540 186 G N 1.582 110.463 108.800 0.135 0.000 2.149 186 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.235 186 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.235 186 G C -0.113 175.078 174.900 0.486 0.000 1.018 186 G CA -0.286 44.868 45.100 0.090 0.000 0.728 186 G HN 0.583 nan 8.290 nan 0.000 0.508 187 N N -0.828 118.164 118.700 0.486 0.000 2.447 187 N HA 0.662 5.402 4.740 -0.000 0.000 0.271 187 N C 0.446 176.210 175.510 0.422 0.000 1.226 187 N CA 0.375 53.644 53.050 0.365 0.000 0.980 187 N CB 1.938 40.525 38.487 0.166 0.000 1.206 187 N HN 0.678 nan 8.380 nan 0.000 0.558 188 V N -2.042 117.950 119.914 0.129 0.000 2.864 188 V HA 0.742 4.862 4.120 -0.000 0.000 0.314 188 V C -0.200 175.860 176.094 -0.058 0.000 1.073 188 V CA -0.749 61.557 62.300 0.009 0.000 0.956 188 V CB 1.659 33.502 31.823 0.032 0.000 1.023 188 V HN 0.248 nan 8.190 nan 0.000 0.435 189 V N 2.683 122.542 119.914 -0.091 0.000 2.735 189 V HA 0.614 4.734 4.120 -0.000 0.000 0.310 189 V C -0.561 175.498 176.094 -0.058 0.000 1.061 189 V CA -0.553 61.704 62.300 -0.071 0.000 0.913 189 V CB 2.192 33.959 31.823 -0.093 0.000 1.005 189 V HN 0.791 nan 8.190 nan 0.000 0.428 190 V N 5.215 125.109 119.914 -0.034 0.000 2.357 190 V HA 0.456 4.576 4.120 -0.000 0.000 0.281 190 V C -0.226 175.873 176.094 0.008 0.000 1.015 190 V CA -0.219 62.070 62.300 -0.018 0.000 0.827 190 V CB 1.371 33.173 31.823 -0.035 0.000 1.018 190 V HN 0.892 nan 8.190 nan 0.000 0.432 191 M N 5.067 124.677 119.600 0.016 0.000 2.268 191 M HA 0.573 5.052 4.480 -0.000 0.000 0.344 191 M C -0.659 175.670 176.300 0.049 0.000 1.106 191 M CA -0.529 54.788 55.300 0.028 0.000 1.010 191 M CB 1.277 33.880 32.600 0.004 0.000 1.649 191 M HN 0.353 nan 8.290 nan 0.000 0.443 192 K N 5.455 125.890 120.400 0.058 0.000 2.389 192 K HA 0.382 4.702 4.320 -0.000 0.000 0.261 192 K C -1.226 175.408 176.600 0.057 0.000 1.014 192 K CA -0.362 55.964 56.287 0.066 0.000 0.920 192 K CB 0.834 33.381 32.500 0.078 0.000 1.149 192 K HN 0.687 nan 8.250 nan 0.000 0.444 193 V N 0.917 120.864 119.914 0.056 0.000 2.785 193 V HA 0.631 4.750 4.120 -0.000 0.000 0.300 193 V C 0.503 176.622 176.094 0.042 0.000 1.062 193 V CA -1.158 61.173 62.300 0.052 0.000 1.029 193 V CB 1.080 32.941 31.823 0.065 0.000 1.024 193 V HN 0.701 nan 8.190 nan 0.000 0.477 194 A N 3.022 125.879 122.820 0.061 0.000 2.511 194 A HA 0.257 4.576 4.320 -0.000 0.000 0.242 194 A C 1.353 178.944 177.584 0.010 0.000 1.069 194 A CA 0.311 52.396 52.037 0.079 0.000 0.763 194 A CB 0.028 19.157 19.000 0.215 0.000 1.001 194 A HN 1.144 nan 8.150 nan 0.000 0.498 195 E N 2.251 122.361 120.200 -0.151 0.000 2.265 195 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 195 E C 0.998 177.548 176.600 -0.083 0.000 0.996 195 E CA 1.735 57.908 56.400 -0.377 0.000 0.832 195 E CB -0.225 28.863 29.700 -1.020 0.000 0.756 195 E HN 0.829 nan 8.360 nan 0.000 0.491 196 Q N 0.703 120.483 119.800 -0.032 0.000 2.245 196 Q HA 0.008 4.348 4.340 -0.000 0.000 0.201 196 Q C 0.717 176.735 176.000 0.030 0.000 0.955 196 Q CA 1.694 57.473 55.803 -0.040 0.000 0.870 196 Q CB 0.433 29.044 28.738 -0.211 0.000 0.945 196 Q HN 0.456 nan 8.270 nan 0.000 0.461 197 T N -3.276 111.329 114.554 0.085 0.000 3.542 197 T HA 0.298 4.647 4.350 -0.000 0.000 0.276 197 T C -2.446 172.306 174.700 0.087 0.000 1.412 197 T CA -1.342 60.806 62.100 0.081 0.000 1.664 197 T CB 1.138 70.063 68.868 0.094 0.000 0.863 197 T HN -0.040 nan 8.240 nan 0.000 0.661 198 P HA 0.185 nan 4.420 nan 0.000 0.234 198 P C 1.688 179.041 177.300 0.090 0.000 1.175 198 P CA -0.106 63.062 63.100 0.113 0.000 0.801 198 P CB 0.367 32.175 31.700 0.180 0.000 0.891 199 L N 0.626 121.886 121.223 0.061 0.000 1.956 199 L HA -0.193 4.147 4.340 -0.000 0.000 0.216 199 L C 2.825 179.753 176.870 0.097 0.000 1.073 199 L CA 3.005 57.877 54.840 0.054 0.000 0.762 199 L CB -2.251 39.815 42.059 0.010 0.000 0.889 199 L HN 0.120 nan 8.230 nan 0.000 0.433 200 T N -1.934 112.661 114.554 0.069 0.000 2.720 200 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 200 T C 1.963 176.746 174.700 0.139 0.000 1.037 200 T CA 1.109 63.269 62.100 0.099 0.000 1.144 200 T CB -0.577 68.314 68.868 0.039 0.000 0.864 200 T HN 0.359 nan 8.240 nan 0.000 0.444 201 A N 1.787 124.660 122.820 0.089 0.000 1.908 201 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 201 A C 2.477 180.105 177.584 0.073 0.000 1.181 201 A CA 1.510 53.584 52.037 0.061 0.000 0.627 201 A CB -0.938 18.088 19.000 0.045 0.000 0.818 201 A HN 0.565 nan 8.150 nan 0.000 0.445 202 L N -2.467 118.839 121.223 0.138 0.000 2.093 202 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 202 L C 2.577 179.592 176.870 0.242 0.000 1.085 202 L CA 1.611 56.586 54.840 0.224 0.000 0.755 202 L CB -0.645 41.552 42.059 0.230 0.000 0.904 202 L HN 0.564 nan 8.230 nan 0.000 0.435 203 Y N 0.210 120.590 120.300 0.133 0.000 2.224 203 Y HA -0.206 4.344 4.550 -0.000 0.000 0.289 203 Y C 2.376 178.346 175.900 0.116 0.000 1.146 203 Y CA 1.326 59.529 58.100 0.172 0.000 1.182 203 Y CB -0.124 38.491 38.460 0.259 0.000 0.983 203 Y HN -0.167 nan 8.280 nan 0.000 0.524 204 V N 0.163 120.123 119.914 0.077 0.000 2.427 204 V HA -0.302 3.817 4.120 -0.000 0.000 0.248 204 V C 2.599 178.561 176.094 -0.220 0.000 1.051 204 V CA 1.606 63.883 62.300 -0.038 0.000 1.048 204 V CB -1.344 30.485 31.823 0.010 0.000 0.666 204 V HN 0.565 nan 8.190 nan 0.000 0.456 205 A N 0.118 122.741 122.820 -0.328 0.000 2.024 205 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 205 A C 2.028 179.138 177.584 -0.790 0.000 1.164 205 A CA 2.230 53.762 52.037 -0.842 0.000 0.643 205 A CB -0.722 17.468 19.000 -1.349 0.000 0.806 205 A HN 0.593 nan 8.150 nan 0.000 0.451 206 N N -0.169 118.346 118.700 -0.309 0.000 2.216 206 N HA 0.005 4.745 4.740 -0.000 0.000 0.183 206 N C 1.480 176.898 175.510 -0.153 0.000 1.017 206 N CA 1.051 54.052 53.050 -0.082 0.000 0.861 206 N CB -0.292 38.171 38.487 -0.041 0.000 0.986 206 N HN 0.486 nan 8.380 nan 0.000 0.428 207 L N -0.074 121.009 121.223 -0.233 0.000 2.217 207 L HA 0.002 4.342 4.340 -0.000 0.000 0.211 207 L C 1.928 178.790 176.870 -0.013 0.000 1.107 207 L CA 0.525 55.299 54.840 -0.110 0.000 0.783 207 L CB -0.267 41.750 42.059 -0.071 0.000 0.919 207 L HN 0.208 nan 8.230 nan 0.000 0.442 208 I N 0.239 120.767 120.570 -0.071 0.000 2.315 208 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 208 I C 2.729 178.954 176.117 0.179 0.000 1.117 208 I CA 1.333 62.648 61.300 0.024 0.000 1.404 208 I CB -0.256 37.599 38.000 -0.242 0.000 1.071 208 I HN 0.294 nan 8.210 nan 0.000 0.419 209 K N 1.269 121.736 120.400 0.111 0.000 2.057 209 K HA -0.238 4.082 4.320 -0.000 0.000 0.206 209 K C 2.062 178.728 176.600 0.110 0.000 1.050 209 K CA 1.563 57.947 56.287 0.161 0.000 0.935 209 K CB -0.073 32.541 32.500 0.189 0.000 0.715 209 K HN 0.241 nan 8.250 nan 0.000 0.439 210 E N -0.146 120.097 120.200 0.072 0.000 2.153 210 E HA -0.150 4.199 4.350 -0.000 0.000 0.194 210 E C 1.586 178.221 176.600 0.059 0.000 0.988 210 E CA 0.871 57.301 56.400 0.049 0.000 0.811 210 E CB -0.048 29.663 29.700 0.017 0.000 0.746 210 E HN 0.450 nan 8.360 nan 0.000 0.466 211 A N -0.088 122.789 122.820 0.096 0.000 2.066 211 A HA 0.101 4.421 4.320 -0.000 0.000 0.218 211 A C 1.819 179.400 177.584 -0.004 0.000 1.157 211 A CA 1.288 53.366 52.037 0.069 0.000 0.670 211 A CB -0.289 18.802 19.000 0.151 0.000 0.804 211 A HN 0.487 nan 8.150 nan 0.000 0.453 212 G N -2.724 106.105 108.800 0.049 0.000 2.168 212 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.197 212 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.197 212 G C 0.007 174.915 174.900 0.013 0.000 0.997 212 G CA -0.222 44.886 45.100 0.015 0.000 0.658 212 G HN 0.273 nan 8.290 nan 0.000 0.513 213 F N 1.870 121.834 119.950 0.023 0.000 2.572 213 F HA 0.387 4.913 4.527 -0.000 0.000 0.370 213 F C -1.097 174.675 175.800 -0.048 0.000 1.103 213 F CA -1.108 56.873 58.000 -0.032 0.000 1.286 213 F CB 0.509 39.433 39.000 -0.127 0.000 1.105 213 F HN -0.084 nan 8.300 nan 0.000 0.583 214 P HA 0.043 nan 4.420 nan 0.000 0.268 214 P C -2.523 174.773 177.300 -0.006 0.000 1.208 214 P CA -0.816 62.328 63.100 0.073 0.000 0.777 214 P CB 0.057 31.833 31.700 0.127 0.000 0.875 215 P HA 0.053 nan 4.420 nan 0.000 0.265 215 P C 0.972 178.216 177.300 -0.094 0.000 1.193 215 P CA 1.217 64.267 63.100 -0.083 0.000 0.765 215 P CB 0.120 31.776 31.700 -0.074 0.000 0.823 216 G N 1.334 110.049 108.800 -0.142 0.000 2.225 216 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.254 216 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.254 216 G C 1.014 175.829 174.900 -0.142 0.000 0.988 216 G CA 0.241 45.270 45.100 -0.119 0.000 0.625 216 G HN 0.404 nan 8.290 nan 0.000 0.527 217 V N -0.167 119.609 119.914 -0.230 0.000 2.427 217 V HA 0.084 4.204 4.120 -0.000 0.000 0.248 217 V C 1.382 177.283 176.094 -0.321 0.000 1.051 217 V CA 1.994 64.041 62.300 -0.421 0.000 1.048 217 V CB 0.142 31.493 31.823 -0.787 0.000 0.666 217 V HN 0.417 nan 8.190 nan 0.000 0.456 218 V N 1.494 121.274 119.914 -0.223 0.000 2.525 218 V HA 0.481 4.601 4.120 -0.000 0.000 0.299 218 V C -0.877 175.237 176.094 0.033 0.000 1.034 218 V CA -0.791 61.421 62.300 -0.147 0.000 0.863 218 V CB 1.819 33.495 31.823 -0.246 0.000 0.999 218 V HN 0.414 nan 8.190 nan 0.000 0.423 219 N N 5.280 123.994 118.700 0.024 0.000 2.296 219 N HA 0.643 5.383 4.740 -0.000 0.000 0.294 219 N C -1.230 174.340 175.510 0.099 0.000 1.033 219 N CA -0.394 52.709 53.050 0.089 0.000 0.839 219 N CB 3.078 41.559 38.487 -0.009 0.000 1.395 219 N HN 0.497 nan 8.380 nan 0.000 0.479 220 I N 1.546 122.221 120.570 0.175 0.000 2.406 220 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 220 I C -0.417 175.794 176.117 0.156 0.000 0.999 220 I CA -0.945 60.431 61.300 0.126 0.000 1.124 220 I CB 2.082 40.137 38.000 0.091 0.000 1.289 220 I HN 0.051 nan 8.210 nan 0.000 0.441 221 V N 8.120 128.108 119.914 0.124 0.000 2.304 221 V HA 0.320 4.440 4.120 -0.000 0.000 0.278 221 V C -2.304 173.869 176.094 0.133 0.000 1.018 221 V CA -1.667 60.714 62.300 0.135 0.000 0.814 221 V CB 1.147 33.034 31.823 0.106 0.000 1.021 221 V HN 0.536 nan 8.190 nan 0.000 0.440 222 P HA 0.629 nan 4.420 nan 0.000 0.274 222 P C 0.364 177.750 177.300 0.144 0.000 1.231 222 P CA 0.337 63.544 63.100 0.177 0.000 0.790 222 P CB 1.247 33.109 31.700 0.269 0.000 0.951 223 G N -0.057 108.708 108.800 -0.057 0.000 2.356 223 G HA2 0.238 4.197 3.960 -0.000 0.000 0.288 223 G HA3 0.238 4.197 3.960 -0.000 0.000 0.288 223 G C -1.552 173.007 174.900 -0.568 0.000 1.302 223 G CA -0.833 44.101 45.100 -0.278 0.000 0.887 223 G HN 0.222 nan 8.290 nan 0.000 0.521 224 F N 0.544 120.388 119.950 -0.176 0.000 2.370 224 F HA 0.545 5.072 4.527 -0.000 0.000 0.319 224 F C 1.871 177.646 175.800 -0.041 0.000 1.129 224 F CA 0.845 58.761 58.000 -0.141 0.000 1.109 224 F CB 1.178 40.093 39.000 -0.142 0.000 1.262 224 F HN 0.664 nan 8.300 nan 0.000 0.534 225 G N 0.381 109.287 108.800 0.177 0.000 2.434 225 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.214 225 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.214 225 G C -0.970 173.989 174.900 0.098 0.000 1.202 225 G CA 0.473 45.649 45.100 0.126 0.000 0.788 225 G HN 0.493 nan 8.290 nan 0.000 0.539 226 P HA -0.035 nan 4.420 nan 0.000 0.223 226 P C 1.757 179.088 177.300 0.052 0.000 1.144 226 P CA 1.979 65.106 63.100 0.046 0.000 0.783 226 P CB -0.004 31.710 31.700 0.024 0.000 0.771 227 T N -3.714 110.892 114.554 0.087 0.000 3.395 227 T HA 0.273 4.623 4.350 -0.000 0.000 0.230 227 T C 1.957 176.709 174.700 0.086 0.000 0.958 227 T CA 0.596 62.747 62.100 0.085 0.000 1.377 227 T CB -1.124 67.814 68.868 0.116 0.000 1.124 227 T HN -0.094 nan 8.240 nan 0.000 0.425 228 A N 1.700 124.580 122.820 0.100 0.000 1.898 228 A HA 0.299 4.619 4.320 -0.000 0.000 0.216 228 A C 2.627 180.262 177.584 0.084 0.000 1.181 228 A CA 1.788 53.879 52.037 0.091 0.000 0.620 228 A CB -1.695 17.357 19.000 0.087 0.000 0.819 228 A HN 0.668 nan 8.150 nan 0.000 0.442 229 G N -0.408 108.442 108.800 0.084 0.000 2.421 229 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.216 229 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.216 229 G C 1.735 176.673 174.900 0.062 0.000 1.171 229 G CA 1.462 46.614 45.100 0.086 0.000 0.775 229 G HN 0.809 nan 8.290 nan 0.000 0.543 230 A N 0.964 123.810 122.820 0.045 0.000 1.969 230 A HA 0.351 4.671 4.320 -0.000 0.000 0.218 230 A C 2.764 180.370 177.584 0.037 0.000 1.169 230 A CA 2.000 54.050 52.037 0.022 0.000 0.635 230 A CB -0.600 18.407 19.000 0.011 0.000 0.810 230 A HN 0.743 nan 8.150 nan 0.000 0.445 231 A N 0.087 122.942 122.820 0.059 0.000 1.933 231 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 231 A C 2.095 179.753 177.584 0.124 0.000 1.175 231 A CA 1.484 53.569 52.037 0.079 0.000 0.628 231 A CB -0.530 18.526 19.000 0.094 0.000 0.814 231 A HN 0.501 nan 8.150 nan 0.000 0.444 232 I N -0.389 120.246 120.570 0.108 0.000 2.202 232 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 232 I C 2.967 179.143 176.117 0.098 0.000 1.091 232 I CA 1.023 62.386 61.300 0.107 0.000 1.368 232 I CB -0.406 37.641 38.000 0.077 0.000 1.058 232 I HN 0.339 nan 8.210 nan 0.000 0.410 233 A N 0.014 122.872 122.820 0.065 0.000 1.978 233 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 233 A C 2.355 179.960 177.584 0.034 0.000 1.170 233 A CA 2.150 54.209 52.037 0.036 0.000 0.636 233 A CB -0.510 18.488 19.000 -0.004 0.000 0.810 233 A HN 0.419 nan 8.150 nan 0.000 0.448 234 S N -1.188 114.536 115.700 0.040 0.000 2.548 234 S HA 0.062 4.532 4.470 -0.000 0.000 0.215 234 S C 0.684 175.299 174.600 0.025 0.000 0.976 234 S CA -0.518 57.693 58.200 0.018 0.000 0.908 234 S CB -0.234 62.962 63.200 -0.007 0.000 0.781 234 S HN 0.673 nan 8.310 nan 0.000 0.519 235 H N 2.956 122.028 119.070 0.002 0.000 3.034 235 H HA 0.049 4.605 4.556 -0.000 0.000 0.324 235 H C 0.952 176.281 175.328 0.001 0.000 1.015 235 H CA 0.613 56.664 56.048 0.004 0.000 1.429 235 H CB 0.561 30.328 29.762 0.008 0.000 1.429 235 H HN 0.179 nan 8.280 nan 0.000 0.585 236 E N 3.034 123.247 120.200 0.022 0.000 2.347 236 E HA -0.129 4.221 4.350 -0.000 0.000 0.196 236 E C 0.648 177.356 176.600 0.179 0.000 1.008 236 E CA 0.769 57.217 56.400 0.079 0.000 0.852 236 E CB 0.276 29.971 29.700 -0.008 0.000 0.783 236 E HN 0.586 nan 8.360 nan 0.000 0.505 237 D N -0.335 120.305 120.400 0.399 0.000 2.431 237 D HA 0.044 4.684 4.640 -0.000 0.000 0.213 237 D C -0.624 175.698 176.300 0.037 0.000 1.130 237 D CA -0.028 54.081 54.000 0.182 0.000 0.834 237 D CB 0.657 41.558 40.800 0.168 0.000 0.985 237 D HN -0.209 nan 8.370 nan 0.000 0.504 238 V N 1.782 121.726 119.914 0.050 0.000 2.406 238 V HA 0.139 4.259 4.120 -0.000 0.000 0.272 238 V C 0.886 176.976 176.094 -0.006 0.000 1.043 238 V CA -0.358 61.927 62.300 -0.024 0.000 0.915 238 V CB 1.700 33.522 31.823 -0.002 0.000 0.988 238 V HN 0.085 nan 8.190 nan 0.000 0.466 239 D N 3.456 123.833 120.400 -0.039 0.000 2.289 239 D HA 0.041 4.680 4.640 -0.000 0.000 0.207 239 D C 0.695 176.975 176.300 -0.033 0.000 0.966 239 D CA 0.772 54.751 54.000 -0.035 0.000 0.868 239 D CB 0.818 41.581 40.800 -0.062 0.000 0.943 239 D HN 0.464 nan 8.370 nan 0.000 0.514 240 K N 0.496 120.878 120.400 -0.031 0.000 2.557 240 K HA 0.353 4.673 4.320 -0.000 0.000 0.261 240 K C -2.148 174.450 176.600 -0.004 0.000 0.932 240 K CA -0.561 55.705 56.287 -0.034 0.000 0.829 240 K CB 3.143 35.602 32.500 -0.069 0.000 1.358 240 K HN -0.183 nan 8.250 nan 0.000 0.430 241 V N 2.665 122.581 119.914 0.003 0.000 2.531 241 V HA 0.789 4.909 4.120 -0.000 0.000 0.301 241 V C -1.374 174.756 176.094 0.061 0.000 1.034 241 V CA -0.327 62.000 62.300 0.045 0.000 0.865 241 V CB 1.426 33.280 31.823 0.052 0.000 0.995 241 V HN 0.868 nan 8.190 nan 0.000 0.424 242 A N 6.855 129.735 122.820 0.100 0.000 2.287 242 A HA 0.827 5.147 4.320 -0.000 0.000 0.317 242 A C -1.189 176.504 177.584 0.181 0.000 1.220 242 A CA -0.433 51.673 52.037 0.115 0.000 0.835 242 A CB 0.764 19.844 19.000 0.132 0.000 1.180 242 A HN 1.124 nan 8.150 nan 0.000 0.500 243 F N 2.187 122.157 119.950 0.033 0.000 2.532 243 F HA 0.723 5.250 4.527 -0.000 0.000 0.321 243 F C -0.319 175.507 175.800 0.042 0.000 1.089 243 F CA -0.106 57.915 58.000 0.034 0.000 0.926 243 F CB 2.352 41.364 39.000 0.021 0.000 1.168 243 F HN 0.387 nan 8.300 nan 0.000 0.459 244 T N 4.565 118.483 114.554 -1.060 0.000 2.965 244 T HA 0.737 5.087 4.350 -0.000 0.000 0.306 244 T C -0.174 173.890 174.700 -1.060 0.000 0.991 244 T CA -0.259 61.401 62.100 -0.734 0.000 1.001 244 T CB 1.009 69.717 68.868 -0.266 0.000 0.984 244 T HN 1.121 nan 8.240 nan 0.000 0.446 245 G N 2.068 110.398 108.800 -0.783 0.000 2.498 245 G HA2 0.454 4.414 3.960 -0.000 0.000 0.181 245 G HA3 0.454 4.414 3.960 -0.000 0.000 0.181 245 G C -0.585 174.290 174.900 -0.041 0.000 1.169 245 G CA -0.213 44.638 45.100 -0.416 0.000 0.992 245 G HN 0.920 nan 8.290 nan 0.000 0.490 246 S N -0.203 115.577 115.700 0.134 0.000 2.576 246 S HA 0.431 4.901 4.470 -0.000 0.000 0.276 246 S C 1.231 175.967 174.600 0.227 0.000 1.339 246 S CA 1.021 59.289 58.200 0.114 0.000 1.039 246 S CB 1.369 64.620 63.200 0.086 0.000 0.902 246 S HN 0.741 nan 8.310 nan 0.000 0.516 247 T N 1.534 116.195 114.554 0.178 0.000 2.833 247 T HA -0.087 4.262 4.350 -0.000 0.000 0.269 247 T C 1.599 176.362 174.700 0.104 0.000 1.054 247 T CA 1.539 63.750 62.100 0.184 0.000 1.135 247 T CB -0.389 68.627 68.868 0.247 0.000 0.869 247 T HN 0.787 nan 8.240 nan 0.000 0.466 248 E N 0.392 120.644 120.200 0.087 0.000 2.023 248 E HA -0.134 4.216 4.350 -0.000 0.000 0.196 248 E C 2.036 178.625 176.600 -0.018 0.000 1.003 248 E CA 1.073 57.495 56.400 0.036 0.000 0.809 248 E CB -0.045 29.681 29.700 0.045 0.000 0.755 248 E HN 0.296 nan 8.360 nan 0.000 0.449 249 I N 0.410 120.963 120.570 -0.027 0.000 2.439 249 I HA -0.107 4.063 4.170 -0.000 0.000 0.251 249 I C 2.466 178.311 176.117 -0.453 0.000 1.139 249 I CA 1.124 62.304 61.300 -0.200 0.000 1.438 249 I CB -1.641 36.270 38.000 -0.148 0.000 1.085 249 I HN 0.158 nan 8.210 nan 0.000 0.427 250 G N 1.005 109.633 108.800 -0.286 0.000 2.450 250 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 250 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 250 G C 1.906 176.709 174.900 -0.162 0.000 1.130 250 G CA 0.407 45.366 45.100 -0.236 0.000 0.760 250 G HN 0.337 nan 8.290 nan 0.000 0.557 251 R N -0.350 120.087 120.500 -0.105 0.000 2.090 251 R HA 0.071 4.410 4.340 -0.000 0.000 0.228 251 R C 2.625 178.865 176.300 -0.101 0.000 1.110 251 R CA 0.823 56.878 56.100 -0.075 0.000 0.973 251 R CB -0.375 29.899 30.300 -0.044 0.000 0.869 251 R HN 0.287 nan 8.270 nan 0.000 0.440 252 V N 1.468 121.299 119.914 -0.138 0.000 2.343 252 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 252 V C 2.280 178.287 176.094 -0.145 0.000 1.051 252 V CA 1.476 63.698 62.300 -0.130 0.000 1.036 252 V CB -0.435 31.304 31.823 -0.140 0.000 0.654 252 V HN 0.236 nan 8.190 nan 0.000 0.451 253 I N 0.142 120.575 120.570 -0.228 0.000 2.163 253 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 253 I C 2.601 178.655 176.117 -0.105 0.000 1.085 253 I CA 2.097 63.279 61.300 -0.197 0.000 1.347 253 I CB -1.193 36.620 38.000 -0.312 0.000 1.044 253 I HN 0.418 nan 8.210 nan 0.000 0.408 254 Q N 0.904 120.648 119.800 -0.093 0.000 2.096 254 Q HA -0.147 4.192 4.340 -0.000 0.000 0.204 254 Q C 2.246 178.218 176.000 -0.047 0.000 0.982 254 Q CA 1.855 57.625 55.803 -0.054 0.000 0.850 254 Q CB -0.173 28.539 28.738 -0.044 0.000 0.901 254 Q HN 0.312 nan 8.270 nan 0.000 0.422 255 V N 0.588 120.470 119.914 -0.054 0.000 2.295 255 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 255 V C 2.289 178.359 176.094 -0.039 0.000 1.049 255 V CA 1.750 64.024 62.300 -0.044 0.000 1.024 255 V CB -1.192 30.604 31.823 -0.045 0.000 0.648 255 V HN 0.561 nan 8.190 nan 0.000 0.447 256 A N -0.138 122.655 122.820 -0.046 0.000 1.978 256 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 256 A C 2.371 179.940 177.584 -0.024 0.000 1.170 256 A CA 2.189 54.205 52.037 -0.036 0.000 0.636 256 A CB -0.655 18.320 19.000 -0.041 0.000 0.810 256 A HN 0.585 nan 8.150 nan 0.000 0.448 257 A N -0.738 122.066 122.820 -0.026 0.000 1.897 257 A HA 0.223 4.543 4.320 -0.000 0.000 0.215 257 A C 2.356 179.930 177.584 -0.016 0.000 1.181 257 A CA 1.643 53.671 52.037 -0.016 0.000 0.620 257 A CB -1.171 17.818 19.000 -0.018 0.000 0.821 257 A HN 0.705 nan 8.150 nan 0.000 0.443 258 G N -1.089 107.698 108.800 -0.022 0.000 2.448 258 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.218 258 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.218 258 G C 1.618 176.507 174.900 -0.019 0.000 1.135 258 G CA 1.149 46.237 45.100 -0.020 0.000 0.784 258 G HN 0.469 nan 8.290 nan 0.000 0.543 259 S N 0.237 115.925 115.700 -0.020 0.000 2.461 259 S HA 0.002 4.472 4.470 -0.000 0.000 0.228 259 S C 2.432 177.021 174.600 -0.017 0.000 1.005 259 S CA 1.048 59.236 58.200 -0.020 0.000 0.942 259 S CB 0.045 63.231 63.200 -0.022 0.000 0.776 259 S HN 0.625 nan 8.310 nan 0.000 0.514 260 S N 3.189 118.881 115.700 -0.014 0.000 2.661 260 S HA 0.094 4.564 4.470 -0.000 0.000 0.162 260 S C 0.948 175.545 174.600 -0.005 0.000 0.788 260 S CA 0.236 58.430 58.200 -0.011 0.000 1.003 260 S CB -0.538 62.659 63.200 -0.005 0.000 0.713 260 S HN 0.493 nan 8.310 nan 0.000 0.519 261 N N 1.292 119.994 118.700 0.004 0.000 2.235 261 N HA 0.278 5.018 4.740 -0.000 0.000 0.231 261 N C 0.066 175.577 175.510 0.002 0.000 1.177 261 N CA -0.146 52.908 53.050 0.007 0.000 0.874 261 N CB -0.445 38.054 38.487 0.020 0.000 1.097 261 N HN 0.605 nan 8.380 nan 0.000 0.518 262 L N -0.360 120.861 121.223 -0.004 0.000 3.717 262 L HA -0.300 4.040 4.340 -0.000 0.000 0.414 262 L C 0.044 176.908 176.870 -0.011 0.000 1.228 262 L CA 0.651 55.486 54.840 -0.010 0.000 0.918 262 L CB -1.737 40.316 42.059 -0.010 0.000 1.865 262 L HN 0.457 nan 8.230 nan 0.000 0.922 263 K N 0.244 120.640 120.400 -0.007 0.000 2.276 263 K HA 0.447 4.767 4.320 -0.000 0.000 0.259 263 K C 0.373 176.959 176.600 -0.023 0.000 1.001 263 K CA -0.623 55.658 56.287 -0.011 0.000 0.927 263 K CB 0.616 33.116 32.500 -0.001 0.000 0.969 263 K HN 0.125 nan 8.250 nan 0.000 0.490 264 R N 0.714 121.193 120.500 -0.036 0.000 2.594 264 R HA 0.221 4.561 4.340 -0.000 0.000 0.272 264 R C -0.724 175.548 176.300 -0.048 0.000 1.074 264 R CA -0.449 55.620 56.100 -0.052 0.000 1.105 264 R CB 0.934 31.186 30.300 -0.080 0.000 1.008 264 R HN 0.403 nan 8.270 nan 0.000 0.472 265 V N 1.646 121.533 119.914 -0.045 0.000 2.623 265 V HA 0.323 4.443 4.120 -0.000 0.000 0.304 265 V C -0.337 175.741 176.094 -0.025 0.000 1.054 265 V CA -0.851 61.434 62.300 -0.024 0.000 0.882 265 V CB 2.042 33.858 31.823 -0.011 0.000 1.002 265 V HN 0.974 nan 8.190 nan 0.000 0.424 266 T N 3.049 117.598 114.554 -0.009 0.000 2.824 266 T HA 0.847 5.196 4.350 -0.000 0.000 0.282 266 T C -0.953 173.786 174.700 0.065 0.000 0.993 266 T CA -0.638 61.459 62.100 -0.005 0.000 0.967 266 T CB 1.424 70.263 68.868 -0.048 0.000 0.960 266 T HN 0.368 nan 8.240 nan 0.000 0.441 267 L N 2.460 123.726 121.223 0.072 0.000 2.341 267 L HA 0.600 4.940 4.340 -0.000 0.000 0.278 267 L C 0.101 177.020 176.870 0.083 0.000 1.005 267 L CA -0.802 54.124 54.840 0.143 0.000 0.818 267 L CB 1.966 44.121 42.059 0.159 0.000 1.259 267 L HN 0.656 nan 8.230 nan 0.000 0.418 268 E N 5.014 125.254 120.200 0.066 0.000 2.256 268 E HA 0.401 4.751 4.350 -0.000 0.000 0.243 268 E C -1.125 175.483 176.600 0.014 0.000 0.925 268 E CA -0.356 56.053 56.400 0.015 0.000 0.748 268 E CB 0.824 30.538 29.700 0.024 0.000 1.206 268 E HN 0.507 nan 8.360 nan 0.000 0.428 269 L N 1.094 122.352 121.223 0.060 0.000 2.448 269 L HA 0.580 4.920 4.340 -0.000 0.000 0.258 269 L C 1.467 178.348 176.870 0.018 0.000 1.104 269 L CA -0.875 54.013 54.840 0.080 0.000 0.800 269 L CB 0.589 42.751 42.059 0.170 0.000 1.241 269 L HN 0.369 nan 8.230 nan 0.000 0.472 270 G N -1.109 107.655 108.800 -0.060 0.000 2.468 270 G HA2 0.541 4.501 3.960 -0.000 0.000 0.264 270 G HA3 0.541 4.501 3.960 -0.000 0.000 0.264 270 G C -0.224 174.410 174.900 -0.444 0.000 1.460 270 G CA 0.248 45.242 45.100 -0.178 0.000 1.060 270 G HN 0.913 nan 8.290 nan 0.000 0.543 271 G N -2.325 106.094 108.800 -0.636 0.000 2.488 271 G HA2 0.467 4.427 3.960 -0.000 0.000 0.301 271 G HA3 0.467 4.427 3.960 -0.000 0.000 0.301 271 G C -1.413 173.266 174.900 -0.368 0.000 1.339 271 G CA -0.427 44.264 45.100 -0.682 0.000 0.803 271 G HN 0.566 nan 8.290 nan 0.000 0.482 272 K N 0.639 121.030 120.400 -0.015 0.000 3.253 272 K HA 0.474 4.794 4.320 -0.000 0.000 0.174 272 K C 0.058 176.737 176.600 0.131 0.000 1.071 272 K CA -0.335 56.006 56.287 0.090 0.000 0.836 272 K CB 0.149 32.775 32.500 0.211 0.000 0.922 272 K HN 0.429 nan 8.250 nan 0.000 0.565 273 S N 3.814 119.593 115.700 0.131 0.000 2.596 273 S HA 0.065 4.535 4.470 -0.000 0.000 0.298 273 S C -2.276 172.457 174.600 0.222 0.000 1.255 273 S CA -0.422 57.888 58.200 0.183 0.000 1.083 273 S CB 0.119 63.474 63.200 0.259 0.000 0.837 273 S HN 0.384 nan 8.310 nan 0.000 0.499 274 P HA 0.186 nan 4.420 nan 0.000 0.285 274 P C -1.029 176.464 177.300 0.321 0.000 1.259 274 P CA -0.633 62.651 63.100 0.307 0.000 0.794 274 P CB 0.560 32.440 31.700 0.301 0.000 0.940 275 N N 3.723 122.610 118.700 0.313 0.000 2.564 275 N HA 0.290 5.030 4.740 -0.000 0.000 0.248 275 N C -0.568 175.102 175.510 0.266 0.000 0.986 275 N CA -0.599 52.638 53.050 0.311 0.000 0.921 275 N CB 0.468 39.036 38.487 0.136 0.000 1.136 275 N HN 0.314 nan 8.380 nan 0.000 0.509 276 I N 4.612 125.343 120.570 0.268 0.000 2.322 276 I HA 0.217 4.387 4.170 -0.000 0.000 0.292 276 I C -0.084 176.202 176.117 0.282 0.000 1.060 276 I CA -0.529 60.890 61.300 0.197 0.000 1.309 276 I CB 0.713 38.730 38.000 0.029 0.000 1.415 276 I HN 0.368 nan 8.210 nan 0.000 0.492 277 I N 7.226 127.942 120.570 0.243 0.000 2.306 277 I HA 0.285 4.455 4.170 -0.000 0.000 0.288 277 I C 0.349 176.630 176.117 0.274 0.000 1.036 277 I CA -0.533 60.877 61.300 0.183 0.000 1.221 277 I CB 0.779 38.667 38.000 -0.187 0.000 1.385 277 I HN 0.482 nan 8.210 nan 0.000 0.472 278 M N 3.805 123.582 119.600 0.295 0.000 2.228 278 M HA 0.126 4.606 4.480 -0.000 0.000 0.326 278 M C 1.702 178.083 176.300 0.134 0.000 1.122 278 M CA 0.066 55.513 55.300 0.245 0.000 1.161 278 M CB 0.492 33.227 32.600 0.225 0.000 1.437 278 M HN 0.647 nan 8.290 nan 0.000 0.465 279 S N 0.425 116.163 115.700 0.064 0.000 2.419 279 S HA -0.158 4.312 4.470 -0.000 0.000 0.233 279 S C 0.838 175.485 174.600 0.078 0.000 1.016 279 S CA 1.323 59.549 58.200 0.042 0.000 0.974 279 S CB -0.540 62.659 63.200 -0.001 0.000 0.786 279 S HN 0.757 nan 8.310 nan 0.000 0.492 280 D N 1.911 122.368 120.400 0.093 0.000 2.328 280 D HA 0.369 5.009 4.640 -0.000 0.000 0.221 280 D C 0.577 176.957 176.300 0.133 0.000 1.072 280 D CA 0.141 54.200 54.000 0.097 0.000 0.850 280 D CB -0.394 40.454 40.800 0.081 0.000 0.922 280 D HN 0.510 nan 8.370 nan 0.000 0.516 281 A N 0.486 123.410 122.820 0.174 0.000 2.406 281 A HA 0.126 4.446 4.320 -0.000 0.000 0.243 281 A C 0.371 178.097 177.584 0.237 0.000 1.082 281 A CA -0.327 51.857 52.037 0.245 0.000 0.786 281 A CB 0.162 19.356 19.000 0.324 0.000 1.029 281 A HN 0.221 nan 8.150 nan 0.000 0.495 282 D N 2.091 122.664 120.400 0.288 0.000 2.342 282 D HA 0.075 4.715 4.640 -0.000 0.000 0.260 282 D C 1.093 177.566 176.300 0.289 0.000 1.278 282 D CA -0.202 53.952 54.000 0.258 0.000 0.910 282 D CB 0.460 41.426 40.800 0.276 0.000 1.079 282 D HN 0.475 nan 8.370 nan 0.000 0.496 283 M N 4.237 123.965 119.600 0.213 0.000 2.073 283 M HA -0.223 4.257 4.480 -0.000 0.000 0.258 283 M C 1.218 177.624 176.300 0.176 0.000 1.070 283 M CA 1.748 57.166 55.300 0.197 0.000 1.103 283 M CB -0.319 32.366 32.600 0.142 0.000 1.321 283 M HN 0.359 nan 8.290 nan 0.000 0.405 284 D N -1.202 119.297 120.400 0.165 0.000 2.104 284 D HA -0.253 4.386 4.640 -0.000 0.000 0.194 284 D C 1.895 178.335 176.300 0.234 0.000 0.994 284 D CA 1.537 55.627 54.000 0.149 0.000 0.830 284 D CB -0.662 40.221 40.800 0.138 0.000 0.959 284 D HN 0.661 nan 8.370 nan 0.000 0.452 285 W N 1.641 122.994 121.300 0.087 0.000 2.379 285 W HA -0.143 4.517 4.660 -0.000 0.000 0.307 285 W C 2.241 178.834 176.519 0.124 0.000 1.200 285 W CA 1.361 58.783 57.345 0.128 0.000 1.297 285 W CB 0.014 29.586 29.460 0.186 0.000 1.140 285 W HN -0.055 nan 8.180 nan 0.000 0.507 286 A N 0.394 123.324 122.820 0.184 0.000 1.908 286 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 286 A C 2.012 179.516 177.584 -0.132 0.000 1.181 286 A CA 2.251 54.189 52.037 -0.165 0.000 0.627 286 A CB -1.183 17.881 19.000 0.107 0.000 0.818 286 A HN 0.164 nan 8.150 nan 0.000 0.445 287 V N -0.104 119.800 119.914 -0.018 0.000 2.307 287 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 287 V C 2.635 178.632 176.094 -0.162 0.000 1.045 287 V CA 2.418 64.592 62.300 -0.210 0.000 1.024 287 V CB -0.649 30.998 31.823 -0.293 0.000 0.651 287 V HN 0.711 nan 8.190 nan 0.000 0.449 288 E N -0.083 120.038 120.200 -0.132 0.000 2.077 288 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 288 E C 2.253 178.768 176.600 -0.142 0.000 0.989 288 E CA 1.358 57.691 56.400 -0.112 0.000 0.800 288 E CB -0.215 29.438 29.700 -0.078 0.000 0.746 288 E HN 0.497 nan 8.360 nan 0.000 0.452 289 Q N -0.461 119.122 119.800 -0.362 0.000 2.123 289 Q HA 0.056 4.396 4.340 -0.000 0.000 0.199 289 Q C 2.103 177.964 176.000 -0.232 0.000 0.966 289 Q CA 1.261 56.854 55.803 -0.349 0.000 0.845 289 Q CB -0.305 28.097 28.738 -0.559 0.000 0.907 289 Q HN 0.380 nan 8.270 nan 0.000 0.439 290 A N 0.135 122.789 122.820 -0.275 0.000 1.930 290 A HA -0.220 4.099 4.320 -0.000 0.000 0.217 290 A C 1.909 179.450 177.584 -0.072 0.000 1.175 290 A CA 1.853 53.779 52.037 -0.185 0.000 0.627 290 A CB -0.686 18.354 19.000 0.068 0.000 0.815 290 A HN 0.453 nan 8.150 nan 0.000 0.443 291 H N -1.523 117.526 119.070 -0.035 0.000 2.299 291 H HA -0.120 4.435 4.556 -0.000 0.000 0.302 291 H C 1.720 177.166 175.328 0.197 0.000 1.078 291 H CA 2.099 58.242 56.048 0.157 0.000 1.323 291 H CB -0.441 29.377 29.762 0.092 0.000 1.381 291 H HN 0.462 nan 8.280 nan 0.000 0.498 292 F N 0.798 120.752 119.950 0.007 0.000 2.126 292 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 292 F C 2.484 178.225 175.800 -0.100 0.000 1.096 292 F CA 1.479 59.461 58.000 -0.030 0.000 1.255 292 F CB -0.575 38.371 39.000 -0.090 0.000 0.997 292 F HN 0.294 nan 8.300 nan 0.000 0.479 293 A N 0.134 122.683 122.820 -0.452 0.000 1.978 293 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 293 A C 2.051 179.298 177.584 -0.561 0.000 1.170 293 A CA 2.016 53.569 52.037 -0.807 0.000 0.636 293 A CB -0.905 17.259 19.000 -1.392 0.000 0.810 293 A HN 0.601 nan 8.150 nan 0.000 0.448 294 L N -3.035 117.905 121.223 -0.473 0.000 2.347 294 L HA 0.317 4.657 4.340 -0.000 0.000 0.196 294 L C 1.926 178.480 176.870 -0.528 0.000 1.072 294 L CA 0.893 55.424 54.840 -0.515 0.000 0.817 294 L CB -0.094 41.546 42.059 -0.698 0.000 1.029 294 L HN 0.266 nan 8.230 nan 0.000 0.478 295 F N -0.598 119.167 119.950 -0.308 0.000 2.604 295 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 295 F C 1.036 176.738 175.800 -0.162 0.000 1.131 295 F CA 0.081 57.920 58.000 -0.269 0.000 1.457 295 F CB -0.476 38.260 39.000 -0.441 0.000 1.095 295 F HN -0.046 nan 8.300 nan 0.000 0.574 296 F N 2.089 121.922 119.950 -0.196 0.000 2.629 296 F HA -0.078 4.448 4.527 -0.000 0.000 0.377 296 F C 1.245 176.991 175.800 -0.089 0.000 1.101 296 F CA -0.091 57.809 58.000 -0.167 0.000 1.301 296 F CB 0.127 38.841 39.000 -0.477 0.000 1.062 296 F HN 0.107 nan 8.300 nan 0.000 0.583 297 N N 3.412 121.585 118.700 -0.877 0.000 2.727 297 N HA -0.308 4.432 4.740 -0.000 0.000 0.249 297 N C -0.090 175.173 175.510 -0.412 0.000 1.048 297 N CA 1.373 53.955 53.050 -0.779 0.000 0.714 297 N CB -0.920 36.924 38.487 -1.071 0.000 0.959 297 N HN 0.770 nan 8.380 nan 0.000 0.544 298 Q N -2.318 117.354 119.800 -0.214 0.000 2.480 298 Q HA -0.180 4.160 4.340 -0.000 0.000 0.265 298 Q C 1.254 177.182 176.000 -0.120 0.000 1.072 298 Q CA 2.188 57.933 55.803 -0.096 0.000 1.018 298 Q CB -1.854 26.828 28.738 -0.093 0.000 1.433 298 Q HN 1.147 nan 8.270 nan 0.000 0.513 299 G N -1.097 107.587 108.800 -0.194 0.000 2.189 299 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.267 299 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.267 299 G C 0.186 174.814 174.900 -0.453 0.000 0.975 299 G CA 0.450 45.391 45.100 -0.266 0.000 0.644 299 G HN 0.466 nan 8.290 nan 0.000 0.537 300 Q N 0.109 119.594 119.800 -0.525 0.000 3.254 300 Q HA 0.454 4.794 4.340 -0.000 0.000 0.315 300 Q C -0.156 175.244 176.000 -1.000 0.000 1.405 300 Q CA -0.064 55.168 55.803 -0.953 0.000 0.966 300 Q CB 0.134 28.672 28.738 -0.333 0.000 1.706 300 Q HN 0.395 nan 8.270 nan 0.000 0.525 301 C N -0.362 118.395 119.300 -0.904 0.000 2.482 301 C HA 0.204 4.663 4.460 -0.000 0.000 0.317 301 C C 1.894 176.831 174.990 -0.088 0.000 1.197 301 C CA -1.096 57.780 59.018 -0.237 0.000 1.432 301 C CB 0.624 28.405 27.740 0.068 0.000 2.062 301 C HN 0.908 nan 8.230 nan 0.000 0.471 302 C N 0.136 119.580 119.300 0.240 0.000 2.411 302 C HA -0.086 4.373 4.460 -0.000 0.000 0.279 302 C C 1.781 176.954 174.990 0.304 0.000 1.288 302 C CA 1.161 60.400 59.018 0.370 0.000 1.764 302 C CB -2.239 25.716 27.740 0.358 0.000 1.974 302 C HN 0.935 nan 8.230 nan 0.000 0.498 303 C N 1.093 120.626 119.300 0.389 0.000 2.470 303 C HA 0.760 5.219 4.460 -0.000 0.000 0.311 303 C C 1.171 176.424 174.990 0.438 0.000 1.387 303 C CA -0.908 58.364 59.018 0.423 0.000 1.783 303 C CB -2.447 25.673 27.740 0.633 0.000 2.416 303 C HN 0.686 nan 8.230 nan 0.000 0.558 304 A N 0.961 123.941 122.820 0.266 0.000 2.498 304 A HA 0.484 4.804 4.320 -0.000 0.000 0.239 304 A C 1.097 178.781 177.584 0.167 0.000 1.068 304 A CA 0.746 52.883 52.037 0.166 0.000 0.766 304 A CB -0.037 18.939 19.000 -0.040 0.000 1.003 304 A HN 1.132 nan 8.150 nan 0.000 0.497 305 G N 1.501 110.318 108.800 0.028 0.000 3.008 305 G HA2 0.333 4.293 3.960 -0.000 0.000 0.272 305 G HA3 0.333 4.293 3.960 -0.000 0.000 0.272 305 G C 0.887 175.725 174.900 -0.104 0.000 0.764 305 G CA 0.374 45.459 45.100 -0.025 0.000 2.029 305 G HN 1.105 nan 8.290 nan 0.000 0.587 306 S N 0.851 116.523 115.700 -0.047 0.000 2.607 306 S HA 0.132 4.602 4.470 -0.000 0.000 0.224 306 S C 1.021 175.568 174.600 -0.088 0.000 0.969 306 S CA -0.095 58.050 58.200 -0.092 0.000 0.927 306 S CB 0.389 63.547 63.200 -0.070 0.000 0.772 306 S HN 0.427 nan 8.310 nan 0.000 0.533 307 R N 1.758 122.217 120.500 -0.068 0.000 2.487 307 R HA 0.268 4.608 4.340 -0.000 0.000 0.288 307 R C -1.241 174.963 176.300 -0.161 0.000 1.394 307 R CA -0.084 55.913 56.100 -0.172 0.000 1.155 307 R CB 1.252 31.478 30.300 -0.123 0.000 1.156 307 R HN 0.137 nan 8.270 nan 0.000 0.553 308 T N 3.785 118.238 114.554 -0.168 0.000 2.863 308 T HA 0.253 4.603 4.350 -0.000 0.000 0.299 308 T C -0.083 174.554 174.700 -0.105 0.000 0.973 308 T CA -0.032 62.022 62.100 -0.076 0.000 0.994 308 T CB -0.171 68.687 68.868 -0.016 0.000 0.961 308 T HN 0.163 nan 8.240 nan 0.000 0.552 309 F N 2.560 122.519 119.950 0.015 0.000 2.438 309 F HA 0.428 4.955 4.527 -0.000 0.000 0.356 309 F C 0.402 176.334 175.800 0.219 0.000 1.099 309 F CA -0.611 57.445 58.000 0.093 0.000 1.185 309 F CB 0.849 39.769 39.000 -0.133 0.000 1.115 309 F HN 0.181 nan 8.300 nan 0.000 0.526 310 V N 3.903 124.115 119.914 0.497 0.000 2.588 310 V HA 0.236 4.356 4.120 -0.000 0.000 0.304 310 V C -0.102 176.057 176.094 0.109 0.000 1.042 310 V CA -1.198 61.232 62.300 0.217 0.000 0.877 310 V CB 1.570 33.289 31.823 -0.174 0.000 0.996 310 V HN 0.594 nan 8.190 nan 0.000 0.425 311 Q N 2.504 122.114 119.800 -0.318 0.000 2.349 311 Q HA 0.003 4.343 4.340 -0.000 0.000 0.287 311 Q C 1.382 177.229 176.000 -0.255 0.000 1.044 311 Q CA 0.317 55.655 55.803 -0.776 0.000 0.918 311 Q CB 1.076 29.482 28.738 -0.554 0.000 1.242 311 Q HN 1.006 nan 8.270 nan 0.000 0.405 312 E N 2.171 122.218 120.200 -0.256 0.000 2.130 312 E HA -0.274 4.076 4.350 -0.000 0.000 0.196 312 E C 0.340 176.937 176.600 -0.004 0.000 0.998 312 E CA 1.681 58.029 56.400 -0.087 0.000 0.806 312 E CB 0.026 29.655 29.700 -0.118 0.000 0.738 312 E HN 0.532 nan 8.360 nan 0.000 0.459 313 D N 1.201 121.578 120.400 -0.038 0.000 2.218 313 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 313 D C 2.075 178.405 176.300 0.050 0.000 0.976 313 D CA 1.514 55.516 54.000 0.004 0.000 0.853 313 D CB -0.119 40.673 40.800 -0.013 0.000 0.939 313 D HN 0.635 nan 8.370 nan 0.000 0.481 314 I N -3.607 117.002 120.570 0.065 0.000 4.082 314 I HA 0.163 4.333 4.170 -0.000 0.000 0.337 314 I C 1.880 178.101 176.117 0.173 0.000 1.352 314 I CA -0.516 60.849 61.300 0.109 0.000 1.097 314 I CB -0.085 37.976 38.000 0.101 0.000 1.048 314 I HN -0.249 nan 8.210 nan 0.000 0.393 315 Y N 3.064 123.394 120.300 0.050 0.000 2.040 315 Y HA -0.330 4.220 4.550 -0.000 0.000 0.275 315 Y C 2.127 178.111 175.900 0.141 0.000 1.171 315 Y CA 2.405 60.560 58.100 0.092 0.000 1.123 315 Y CB -0.204 38.281 38.460 0.042 0.000 0.963 315 Y HN 0.217 nan 8.280 nan 0.000 0.493 316 D N -0.035 120.548 120.400 0.304 0.000 2.104 316 D HA -0.222 4.418 4.640 -0.000 0.000 0.194 316 D C 2.114 178.453 176.300 0.066 0.000 0.994 316 D CA 1.770 55.879 54.000 0.181 0.000 0.830 316 D CB -0.463 40.441 40.800 0.174 0.000 0.959 316 D HN 0.621 nan 8.370 nan 0.000 0.452 317 E N -0.506 119.744 120.200 0.083 0.000 2.051 317 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 317 E C 2.091 178.705 176.600 0.024 0.000 0.991 317 E CA 0.471 56.902 56.400 0.051 0.000 0.799 317 E CB -0.183 29.559 29.700 0.071 0.000 0.748 317 E HN 0.190 nan 8.360 nan 0.000 0.449 318 F N 0.906 120.813 119.950 -0.072 0.000 2.046 318 F HA -0.239 4.287 4.527 -0.000 0.000 0.297 318 F C 2.159 177.871 175.800 -0.146 0.000 1.123 318 F CA 1.529 59.469 58.000 -0.100 0.000 1.199 318 F CB -0.439 38.499 39.000 -0.105 0.000 0.972 318 F HN -0.129 nan 8.300 nan 0.000 0.474 319 V N 0.398 120.261 119.914 -0.086 0.000 2.392 319 V HA -0.335 3.784 4.120 -0.000 0.000 0.249 319 V C 2.385 178.384 176.094 -0.158 0.000 1.059 319 V CA 2.353 64.548 62.300 -0.174 0.000 1.051 319 V CB -0.726 30.926 31.823 -0.285 0.000 0.658 319 V HN 0.436 nan 8.190 nan 0.000 0.455 320 E N -0.191 119.937 120.200 -0.119 0.000 2.051 320 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 320 E C 2.510 179.028 176.600 -0.137 0.000 0.991 320 E CA 1.208 57.552 56.400 -0.093 0.000 0.799 320 E CB -0.016 29.653 29.700 -0.052 0.000 0.748 320 E HN 0.534 nan 8.360 nan 0.000 0.449 321 R N -0.167 120.218 120.500 -0.193 0.000 2.092 321 R HA -0.032 4.308 4.340 -0.000 0.000 0.231 321 R C 2.573 178.705 176.300 -0.279 0.000 1.119 321 R CA 1.248 57.212 56.100 -0.225 0.000 0.970 321 R CB -0.097 30.054 30.300 -0.248 0.000 0.864 321 R HN 0.019 nan 8.270 nan 0.000 0.440 322 S N 0.296 115.773 115.700 -0.372 0.000 2.368 322 S HA -0.093 4.377 4.470 -0.000 0.000 0.225 322 S C 2.061 176.576 174.600 -0.142 0.000 1.030 322 S CA 1.154 59.175 58.200 -0.299 0.000 0.999 322 S CB -0.069 62.926 63.200 -0.342 0.000 0.844 322 S HN 0.071 nan 8.310 nan 0.000 0.459 323 V N 1.845 121.684 119.914 -0.125 0.000 2.427 323 V HA -0.142 3.977 4.120 -0.000 0.000 0.248 323 V C 2.582 178.613 176.094 -0.106 0.000 1.051 323 V CA 1.591 63.841 62.300 -0.083 0.000 1.048 323 V CB -1.110 30.674 31.823 -0.065 0.000 0.666 323 V HN 0.528 nan 8.190 nan 0.000 0.456 324 A N 0.311 123.056 122.820 -0.126 0.000 1.930 324 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 324 A C 2.301 179.783 177.584 -0.170 0.000 1.175 324 A CA 1.964 53.925 52.037 -0.127 0.000 0.627 324 A CB -0.471 18.458 19.000 -0.117 0.000 0.815 324 A HN 0.447 nan 8.150 nan 0.000 0.443 325 R N 0.288 120.652 120.500 -0.227 0.000 2.075 325 R HA 0.018 4.358 4.340 -0.000 0.000 0.232 325 R C 2.146 178.212 176.300 -0.389 0.000 1.126 325 R CA 1.903 57.786 56.100 -0.361 0.000 0.963 325 R CB -0.943 29.064 30.300 -0.489 0.000 0.858 325 R HN 0.369 nan 8.270 nan 0.000 0.435 326 A N 0.805 123.474 122.820 -0.251 0.000 1.902 326 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 326 A C 1.975 179.438 177.584 -0.201 0.000 1.181 326 A CA 1.795 53.691 52.037 -0.234 0.000 0.623 326 A CB -0.430 18.494 19.000 -0.126 0.000 0.818 326 A HN 0.395 nan 8.150 nan 0.000 0.443 327 K N 0.277 120.589 120.400 -0.148 0.000 2.211 327 K HA -0.077 4.243 4.320 -0.000 0.000 0.203 327 K C 2.036 178.569 176.600 -0.112 0.000 1.050 327 K CA 1.382 57.601 56.287 -0.112 0.000 0.945 327 K CB -0.124 32.323 32.500 -0.089 0.000 0.732 327 K HN 0.656 nan 8.250 nan 0.000 0.451 328 S N 0.633 116.251 115.700 -0.137 0.000 2.558 328 S HA -0.009 4.461 4.470 -0.000 0.000 0.217 328 S C 0.836 175.368 174.600 -0.113 0.000 0.975 328 S CA -0.287 57.842 58.200 -0.118 0.000 0.912 328 S CB -0.064 63.059 63.200 -0.128 0.000 0.776 328 S HN 0.130 nan 8.310 nan 0.000 0.526 329 R N 2.153 122.572 120.500 -0.135 0.000 2.399 329 R HA 0.233 4.573 4.340 -0.000 0.000 0.324 329 R C -0.914 175.353 176.300 -0.053 0.000 1.030 329 R CA -0.189 55.856 56.100 -0.092 0.000 0.984 329 R CB 0.108 30.334 30.300 -0.124 0.000 0.961 329 R HN 0.173 nan 8.270 nan 0.000 0.433 330 V N 6.210 126.110 119.914 -0.024 0.000 2.485 330 V HA 0.040 4.160 4.120 -0.000 0.000 0.287 330 V C 0.261 176.365 176.094 0.016 0.000 1.022 330 V CA -0.003 62.291 62.300 -0.010 0.000 1.067 330 V CB 1.006 32.828 31.823 -0.001 0.000 0.967 330 V HN 0.452 nan 8.190 nan 0.000 0.479 331 V N 4.910 124.830 119.914 0.011 0.000 2.513 331 V HA 1.005 5.125 4.120 -0.000 0.000 0.299 331 V C 0.629 176.717 176.094 -0.011 0.000 1.035 331 V CA 0.598 62.932 62.300 0.057 0.000 0.889 331 V CB 1.183 33.054 31.823 0.081 0.000 0.988 331 V HN 1.160 nan 8.190 nan 0.000 0.440 332 G N 3.348 112.176 108.800 0.046 0.000 2.360 332 G HA2 0.104 4.064 3.960 -0.000 0.000 0.276 332 G HA3 0.104 4.064 3.960 -0.000 0.000 0.276 332 G C -0.959 174.001 174.900 0.100 0.000 1.256 332 G CA -0.807 44.228 45.100 -0.108 0.000 0.890 332 G HN 0.572 nan 8.290 nan 0.000 0.486 333 N N 2.277 121.001 118.700 0.039 0.000 2.414 333 N HA 0.127 4.867 4.740 -0.000 0.000 0.268 333 N C -0.572 175.026 175.510 0.146 0.000 1.286 333 N CA -0.987 52.148 53.050 0.142 0.000 0.896 333 N CB 1.385 39.933 38.487 0.102 0.000 1.093 333 N HN 0.163 nan 8.380 nan 0.000 0.480 334 P HA -0.154 nan 4.420 nan 0.000 0.221 334 P C 0.938 178.187 177.300 -0.086 0.000 1.145 334 P CA 1.259 64.346 63.100 -0.022 0.000 0.795 334 P CB -0.042 31.569 31.700 -0.149 0.000 0.775 335 F N -0.087 119.905 119.950 0.071 0.000 2.748 335 F HA 0.057 4.584 4.527 0.000 0.000 0.299 335 F C 1.381 177.206 175.800 0.042 0.000 1.154 335 F CA 0.221 58.242 58.000 0.035 0.000 1.446 335 F CB -0.203 38.765 39.000 -0.054 0.000 1.112 335 F HN -0.095 nan 8.300 nan 0.000 0.584 336 D N 0.178 120.689 120.400 0.185 0.000 2.308 336 D HA -0.005 4.635 4.640 -0.000 0.000 0.251 336 D C 1.199 177.566 176.300 0.112 0.000 1.127 336 D CA 0.280 54.352 54.000 0.121 0.000 0.876 336 D CB 1.510 42.358 40.800 0.079 0.000 1.176 336 D HN 0.154 nan 8.370 nan 0.000 0.446 337 S N 3.582 119.344 115.700 0.103 0.000 2.419 337 S HA -0.159 4.311 4.470 -0.000 0.000 0.233 337 S C 1.391 176.031 174.600 0.067 0.000 1.016 337 S CA 0.777 59.033 58.200 0.094 0.000 0.974 337 S CB -0.022 63.226 63.200 0.080 0.000 0.786 337 S HN 0.518 nan 8.310 nan 0.000 0.492 338 K N 1.082 121.513 120.400 0.052 0.000 2.366 338 K HA 0.102 4.422 4.320 -0.000 0.000 0.198 338 K C 0.123 176.747 176.600 0.041 0.000 1.044 338 K CA 0.475 56.785 56.287 0.037 0.000 0.973 338 K CB -0.201 32.312 32.500 0.022 0.000 0.767 338 K HN 0.271 nan 8.250 nan 0.000 0.475 339 T N 1.974 116.560 114.554 0.053 0.000 2.853 339 T HA 0.025 4.375 4.350 -0.000 0.000 0.298 339 T C 0.797 175.538 174.700 0.068 0.000 0.978 339 T CA 0.274 62.410 62.100 0.060 0.000 1.152 339 T CB 1.049 69.962 68.868 0.075 0.000 0.914 339 T HN 0.189 nan 8.240 nan 0.000 0.539 340 E N 1.647 121.888 120.200 0.069 0.000 2.251 340 E HA 0.049 4.398 4.350 -0.000 0.000 0.194 340 E C 0.808 177.462 176.600 0.091 0.000 0.964 340 E CA 0.193 56.646 56.400 0.088 0.000 0.868 340 E CB 0.551 30.303 29.700 0.086 0.000 0.828 340 E HN 0.561 nan 8.360 nan 0.000 0.481 341 Q N 0.365 120.217 119.800 0.086 0.000 2.321 341 Q HA 0.428 4.768 4.340 -0.000 0.000 0.270 341 Q C -0.556 175.523 176.000 0.133 0.000 1.032 341 Q CA -0.612 55.244 55.803 0.088 0.000 0.784 341 Q CB 1.792 30.584 28.738 0.090 0.000 1.264 341 Q HN 0.128 nan 8.270 nan 0.000 0.448 342 G N 3.205 112.043 108.800 0.064 0.000 2.543 342 G HA2 0.580 4.540 3.960 -0.000 0.000 0.267 342 G HA3 0.580 4.540 3.960 -0.000 0.000 0.267 342 G C -2.517 172.282 174.900 -0.168 0.000 1.406 342 G CA -0.978 44.149 45.100 0.045 0.000 1.048 342 G HN 0.569 nan 8.290 nan 0.000 0.548 343 P HA 0.218 nan 4.420 nan 0.000 0.279 343 P C -0.838 176.275 177.300 -0.312 0.000 1.276 343 P CA -0.438 62.149 63.100 -0.855 0.000 0.801 343 P CB 1.002 31.898 31.700 -1.339 0.000 1.127 344 Q N -0.209 119.503 119.800 -0.147 0.000 2.382 344 Q HA 0.074 4.414 4.340 -0.000 0.000 0.229 344 Q C 1.356 177.261 176.000 -0.158 0.000 1.006 344 Q CA -0.421 55.342 55.803 -0.066 0.000 0.916 344 Q CB 0.413 29.190 28.738 0.065 0.000 1.235 344 Q HN 0.186 nan 8.270 nan 0.000 0.512 345 V N 0.679 120.421 119.914 -0.287 0.000 2.332 345 V HA -0.236 3.883 4.120 -0.000 0.000 0.248 345 V C 0.365 176.187 176.094 -0.453 0.000 1.055 345 V CA 2.762 64.797 62.300 -0.442 0.000 1.038 345 V CB -0.090 31.183 31.823 -0.917 0.000 0.651 345 V HN 0.994 nan 8.190 nan 0.000 0.450 346 D N -3.629 116.419 120.400 -0.587 0.000 2.692 346 D HA 0.116 4.756 4.640 -0.000 0.000 0.303 346 D C 0.698 176.349 176.300 -1.081 0.000 1.278 346 D CA -0.116 53.402 54.000 -0.802 0.000 0.852 346 D CB 0.559 41.033 40.800 -0.543 0.000 1.375 346 D HN -0.013 nan 8.370 nan 0.000 0.453 347 E N -0.571 118.921 120.200 -1.180 0.000 2.077 347 E HA -0.168 4.181 4.350 -0.000 0.000 0.193 347 E C 1.194 177.667 176.600 -0.212 0.000 0.989 347 E CA 1.740 57.715 56.400 -0.709 0.000 0.800 347 E CB -0.060 29.439 29.700 -0.334 0.000 0.746 347 E HN 0.528 nan 8.360 nan 0.000 0.452 348 T N 0.697 115.126 114.554 -0.208 0.000 2.684 348 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 348 T C 1.814 176.487 174.700 -0.046 0.000 1.036 348 T CA 1.607 63.651 62.100 -0.094 0.000 1.148 348 T CB -0.220 68.590 68.868 -0.097 0.000 0.863 348 T HN 0.104 nan 8.240 nan 0.000 0.436 349 Q N 0.030 119.775 119.800 -0.092 0.000 2.119 349 Q HA 0.040 4.380 4.340 -0.000 0.000 0.201 349 Q C 1.824 177.877 176.000 0.089 0.000 0.972 349 Q CA 1.145 56.949 55.803 0.001 0.000 0.847 349 Q CB -0.648 28.034 28.738 -0.093 0.000 0.903 349 Q HN 0.571 nan 8.270 nan 0.000 0.433 350 F N 0.814 120.691 119.950 -0.122 0.000 2.095 350 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 350 F C 1.670 177.481 175.800 0.017 0.000 1.104 350 F CA 1.793 59.776 58.000 -0.028 0.000 1.232 350 F CB -0.008 38.977 39.000 -0.026 0.000 0.987 350 F HN -0.007 nan 8.300 nan 0.000 0.475 351 K N 0.097 120.547 120.400 0.083 0.000 2.062 351 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 351 K C 2.164 178.727 176.600 -0.061 0.000 1.051 351 K CA 1.378 57.642 56.287 -0.038 0.000 0.941 351 K CB -0.262 32.260 32.500 0.037 0.000 0.719 351 K HN 0.170 nan 8.250 nan 0.000 0.440 352 K N 1.096 121.488 120.400 -0.013 0.000 2.063 352 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 352 K C 1.937 178.559 176.600 0.037 0.000 1.048 352 K CA 1.316 57.592 56.287 -0.019 0.000 0.928 352 K CB -0.039 32.498 32.500 0.062 0.000 0.713 352 K HN 0.068 nan 8.250 nan 0.000 0.442 353 I N 0.853 121.483 120.570 0.100 0.000 2.202 353 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 353 I C 2.115 178.277 176.117 0.075 0.000 1.091 353 I CA 1.052 62.448 61.300 0.160 0.000 1.368 353 I CB -0.216 37.851 38.000 0.112 0.000 1.058 353 I HN 0.169 nan 8.210 nan 0.000 0.410 354 L N 0.517 121.694 121.223 -0.077 0.000 2.127 354 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 354 L C 2.631 179.482 176.870 -0.033 0.000 1.089 354 L CA 1.482 56.259 54.840 -0.104 0.000 0.757 354 L CB -1.128 40.785 42.059 -0.243 0.000 0.899 354 L HN 0.350 nan 8.230 nan 0.000 0.434 355 G N -1.092 107.671 108.800 -0.062 0.000 2.404 355 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.215 355 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.215 355 G C 1.390 176.252 174.900 -0.064 0.000 1.174 355 G CA 0.503 45.540 45.100 -0.105 0.000 0.780 355 G HN 0.304 nan 8.290 nan 0.000 0.537 356 Y N 0.442 120.760 120.300 0.030 0.000 2.242 356 Y HA 0.003 4.552 4.550 -0.000 0.000 0.291 356 Y C 2.768 178.719 175.900 0.085 0.000 1.137 356 Y CA 0.427 58.553 58.100 0.043 0.000 1.181 356 Y CB -0.028 38.465 38.460 0.056 0.000 0.989 356 Y HN 0.117 nan 8.280 nan 0.000 0.527 357 I N 0.052 120.795 120.570 0.289 0.000 2.142 357 I HA -0.369 3.801 4.170 -0.000 0.000 0.240 357 I C 2.505 178.801 176.117 0.297 0.000 1.078 357 I CA 1.507 63.017 61.300 0.350 0.000 1.343 357 I CB -0.482 37.638 38.000 0.201 0.000 1.046 357 I HN 0.364 nan 8.210 nan 0.000 0.405 358 N N 0.487 119.279 118.700 0.153 0.000 2.120 358 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 358 N C 1.730 177.289 175.510 0.082 0.000 1.024 358 N CA 2.051 55.163 53.050 0.102 0.000 0.852 358 N CB 0.030 38.542 38.487 0.042 0.000 1.003 358 N HN 0.283 nan 8.380 nan 0.000 0.424 359 T N -0.223 114.369 114.554 0.062 0.000 2.759 359 T HA -0.089 4.261 4.350 -0.000 0.000 0.269 359 T C 1.740 176.430 174.700 -0.016 0.000 1.042 359 T CA 1.350 63.468 62.100 0.031 0.000 1.140 359 T CB -0.664 68.242 68.868 0.063 0.000 0.864 359 T HN 0.448 nan 8.240 nan 0.000 0.455 360 G N 1.660 110.421 108.800 -0.066 0.000 2.404 360 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 360 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 360 G C 1.592 176.393 174.900 -0.165 0.000 1.174 360 G CA 0.568 45.427 45.100 -0.401 0.000 0.780 360 G HN 0.433 nan 8.290 nan 0.000 0.537 361 K N 0.075 120.546 120.400 0.119 0.000 2.057 361 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 361 K C 2.688 179.331 176.600 0.073 0.000 1.049 361 K CA 1.196 57.586 56.287 0.172 0.000 0.931 361 K CB -0.143 32.465 32.500 0.181 0.000 0.714 361 K HN 0.218 nan 8.250 nan 0.000 0.440 362 Q N 0.904 120.729 119.800 0.043 0.000 2.170 362 Q HA -0.161 4.179 4.340 -0.000 0.000 0.203 362 Q C 1.594 177.598 176.000 0.007 0.000 0.976 362 Q CA 1.363 57.180 55.803 0.023 0.000 0.858 362 Q CB -0.047 28.700 28.738 0.016 0.000 0.907 362 Q HN 0.486 nan 8.270 nan 0.000 0.433 363 E N -0.814 119.376 120.200 -0.018 0.000 2.482 363 E HA 0.035 4.385 4.350 -0.000 0.000 0.196 363 E C 0.808 177.397 176.600 -0.020 0.000 1.047 363 E CA 0.419 56.803 56.400 -0.028 0.000 0.869 363 E CB 0.269 29.934 29.700 -0.059 0.000 0.836 363 E HN 0.535 nan 8.360 nan 0.000 0.520 364 G N 0.872 109.670 108.800 -0.003 0.000 2.184 364 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.206 364 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.206 364 G C 0.361 175.280 174.900 0.033 0.000 0.995 364 G CA -0.137 44.974 45.100 0.019 0.000 0.651 364 G HN 0.429 nan 8.290 nan 0.000 0.511 365 A N 0.369 123.187 122.820 -0.003 0.000 2.477 365 A HA 0.575 4.895 4.320 -0.000 0.000 0.246 365 A C 0.596 178.318 177.584 0.230 0.000 1.078 365 A CA 0.749 52.811 52.037 0.041 0.000 0.770 365 A CB 0.347 19.215 19.000 -0.221 0.000 1.011 365 A HN 0.537 nan 8.150 nan 0.000 0.494 366 K N 2.347 122.899 120.400 0.253 0.000 2.310 366 K HA 0.279 4.599 4.320 -0.000 0.000 0.290 366 K C -0.680 176.081 176.600 0.268 0.000 1.077 366 K CA -0.446 55.978 56.287 0.229 0.000 0.922 366 K CB 0.183 32.780 32.500 0.162 0.000 1.057 366 K HN 0.580 nan 8.250 nan 0.000 0.479 367 L N 6.698 128.035 121.223 0.189 0.000 2.385 367 L HA 0.096 4.436 4.340 -0.000 0.000 0.281 367 L C 0.229 177.070 176.870 -0.047 0.000 1.106 367 L CA 0.523 55.337 54.840 -0.044 0.000 0.856 367 L CB 0.375 42.401 42.059 -0.054 0.000 1.186 367 L HN 0.797 nan 8.230 nan 0.000 0.453 368 L N 4.734 125.910 121.223 -0.079 0.000 2.416 368 L HA 0.198 4.537 4.340 -0.000 0.000 0.216 368 L C 0.447 177.281 176.870 -0.060 0.000 1.098 368 L CA 0.154 54.971 54.840 -0.038 0.000 0.840 368 L CB -0.190 41.863 42.059 -0.009 0.000 0.981 368 L HN 0.818 nan 8.230 nan 0.000 0.462 369 C N -3.240 115.999 119.300 -0.101 0.000 3.303 369 C HA 0.732 5.192 4.460 -0.000 0.000 0.340 369 C C 0.712 175.640 174.990 -0.102 0.000 1.274 369 C CA -0.705 58.264 59.018 -0.082 0.000 1.234 369 C CB 0.797 28.499 27.740 -0.062 0.000 1.532 369 C HN 0.610 nan 8.230 nan 0.000 0.483 370 G N 1.040 109.799 108.800 -0.069 0.000 2.574 370 G HA2 0.334 4.294 3.960 -0.000 0.000 0.286 370 G HA3 0.334 4.294 3.960 -0.000 0.000 0.286 370 G C 1.336 176.193 174.900 -0.071 0.000 1.212 370 G CA 2.415 47.483 45.100 -0.054 0.000 0.979 370 G HN 3.333 nan 8.290 nan 0.000 0.557 371 G N -2.048 106.712 108.800 -0.067 0.000 2.179 371 G HA2 0.437 4.397 3.960 -0.000 0.000 0.220 371 G HA3 0.437 4.397 3.960 -0.000 0.000 0.220 371 G C 1.395 176.285 174.900 -0.016 0.000 0.990 371 G CA 0.961 46.023 45.100 -0.063 0.000 0.646 371 G HN 2.563 nan 8.290 nan 0.000 0.517 372 G N -1.022 107.776 108.800 -0.004 0.000 2.921 372 G HA2 0.676 4.636 3.960 -0.000 0.000 0.291 372 G HA3 0.676 4.636 3.960 -0.000 0.000 0.291 372 G C -0.340 174.580 174.900 0.033 0.000 1.370 372 G CA -0.795 44.308 45.100 0.005 0.000 0.847 372 G HN 0.619 nan 8.290 nan 0.000 0.532 373 I N 1.195 121.800 120.570 0.057 0.000 2.648 373 I HA 0.258 4.428 4.170 -0.000 0.000 0.284 373 I C 1.442 177.641 176.117 0.136 0.000 1.153 373 I CA -0.013 61.378 61.300 0.151 0.000 1.426 373 I CB 1.701 39.829 38.000 0.214 0.000 1.381 373 I HN 0.549 nan 8.210 nan 0.000 0.571 374 A N 5.112 128.043 122.820 0.185 0.000 2.267 374 A HA 0.671 4.991 4.320 -0.000 0.000 0.213 374 A C 0.723 178.323 177.584 0.027 0.000 1.192 374 A CA 0.625 52.726 52.037 0.107 0.000 0.851 374 A CB 0.075 19.159 19.000 0.140 0.000 0.881 374 A HN 0.831 nan 8.150 nan 0.000 0.494 375 A N -1.015 121.844 122.820 0.066 0.000 2.597 375 A HA 0.518 4.838 4.320 -0.000 0.000 0.292 375 A C -0.498 177.104 177.584 0.030 0.000 1.057 375 A CA -0.126 51.889 52.037 -0.037 0.000 0.674 375 A CB -0.036 18.808 19.000 -0.260 0.000 1.278 375 A HN -0.013 nan 8.150 nan 0.000 0.416 376 D N 0.471 120.862 120.400 -0.015 0.000 2.123 376 D HA -0.001 4.639 4.640 -0.000 0.000 0.200 376 D C 0.536 176.818 176.300 -0.030 0.000 0.976 376 D CA 1.183 55.181 54.000 -0.004 0.000 0.831 376 D CB 0.130 40.916 40.800 -0.023 0.000 0.974 376 D HN 0.342 nan 8.370 nan 0.000 0.469 377 R N 0.535 121.003 120.500 -0.053 0.000 2.474 377 R HA 0.574 4.914 4.340 -0.000 0.000 0.295 377 R C 0.636 176.918 176.300 -0.030 0.000 0.980 377 R CA -0.016 56.036 56.100 -0.080 0.000 0.934 377 R CB 1.232 31.491 30.300 -0.068 0.000 1.101 377 R HN 0.243 nan 8.270 nan 0.000 0.469 378 G N 1.478 110.124 108.800 -0.258 0.000 2.796 378 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.571 378 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.571 378 G C -0.898 173.563 174.900 -0.732 0.000 1.370 378 G CA -0.655 44.164 45.100 -0.468 0.000 0.856 378 G HN 0.629 nan 8.290 nan 0.000 0.538 379 Y N -0.135 119.904 120.300 -0.435 0.000 2.845 379 Y HA 0.538 5.088 4.550 -0.000 0.000 0.385 379 Y C 0.684 176.467 175.900 -0.195 0.000 1.133 379 Y CA -0.710 57.008 58.100 -0.636 0.000 1.660 379 Y CB -0.083 38.032 38.460 -0.574 0.000 1.683 379 Y HN 0.344 nan 8.280 nan 0.000 0.503 380 F N 1.524 121.536 119.950 0.103 0.000 2.396 380 F HA 0.482 5.009 4.527 -0.000 0.000 0.343 380 F C 0.285 176.267 175.800 0.303 0.000 1.104 380 F CA -0.849 57.258 58.000 0.179 0.000 1.161 380 F CB 0.690 39.731 39.000 0.069 0.000 1.146 380 F HN 0.030 nan 8.300 nan 0.000 0.522 381 I N 2.222 123.023 120.570 0.384 0.000 2.608 381 I HA 0.249 4.419 4.170 -0.000 0.000 0.295 381 I C -0.585 175.642 176.117 0.184 0.000 1.049 381 I CA -1.061 60.390 61.300 0.253 0.000 1.063 381 I CB 2.130 40.239 38.000 0.180 0.000 1.248 381 I HN 0.503 nan 8.210 nan 0.000 0.424 382 Q N 5.378 125.251 119.800 0.122 0.000 2.332 382 Q HA 0.209 4.549 4.340 -0.000 0.000 0.263 382 Q C -2.313 173.733 176.000 0.077 0.000 0.979 382 Q CA -1.583 54.264 55.803 0.075 0.000 0.885 382 Q CB 0.292 29.051 28.738 0.035 0.000 1.218 382 Q HN 0.228 nan 8.270 nan 0.000 0.405 383 P HA -0.042 nan 4.420 nan 0.000 0.260 383 P C -1.099 176.259 177.300 0.096 0.000 1.207 383 P CA 0.558 63.691 63.100 0.055 0.000 0.780 383 P CB 0.435 31.981 31.700 -0.258 0.000 0.789 384 T N 3.233 117.906 114.554 0.199 0.000 2.824 384 T HA 0.446 4.796 4.350 -0.000 0.000 0.280 384 T C -0.156 174.575 174.700 0.051 0.000 0.995 384 T CA -0.399 61.718 62.100 0.028 0.000 1.009 384 T CB 0.918 69.751 68.868 -0.059 0.000 0.955 384 T HN -0.063 nan 8.240 nan 0.000 0.452 385 V N 3.844 123.705 119.914 -0.089 0.000 2.531 385 V HA 0.517 4.637 4.120 -0.000 0.000 0.301 385 V C -0.978 175.013 176.094 -0.170 0.000 1.034 385 V CA -0.912 61.370 62.300 -0.030 0.000 0.865 385 V CB 1.396 33.251 31.823 0.055 0.000 0.995 385 V HN 0.838 nan 8.190 nan 0.000 0.424 386 F N 2.392 122.373 119.950 0.051 0.000 2.444 386 F HA 0.742 5.269 4.527 -0.000 0.000 0.342 386 F C 0.932 176.766 175.800 0.058 0.000 1.121 386 F CA -0.326 57.702 58.000 0.047 0.000 0.997 386 F CB 2.016 41.034 39.000 0.030 0.000 1.130 386 F HN 0.607 nan 8.300 nan 0.000 0.454 387 G N 0.969 109.939 108.800 0.282 0.000 2.461 387 G HA2 0.317 4.277 3.960 -0.000 0.000 0.329 387 G HA3 0.317 4.277 3.960 -0.000 0.000 0.329 387 G C -0.480 174.570 174.900 0.251 0.000 1.170 387 G CA -0.605 44.644 45.100 0.249 0.000 0.935 387 G HN 0.738 nan 8.290 nan 0.000 0.492 388 D N -1.036 119.542 120.400 0.296 0.000 2.708 388 D HA -0.165 4.475 4.640 -0.000 0.000 0.236 388 D C 0.673 177.033 176.300 0.101 0.000 1.146 388 D CA 0.645 54.746 54.000 0.170 0.000 0.662 388 D CB -1.133 39.738 40.800 0.118 0.000 1.059 388 D HN 0.177 nan 8.370 nan 0.000 0.428 389 V N 0.559 120.528 119.914 0.092 0.000 2.924 389 V HA 0.067 4.187 4.120 -0.000 0.000 0.305 389 V C 0.874 176.969 176.094 0.002 0.000 1.073 389 V CA 0.134 62.443 62.300 0.015 0.000 1.098 389 V CB 1.741 33.550 31.823 -0.023 0.000 1.000 389 V HN 0.071 nan 8.190 nan 0.000 0.484 390 Q N 1.382 121.175 119.800 -0.012 0.000 2.351 390 Q HA 0.342 4.681 4.340 -0.000 0.000 0.273 390 Q C 0.325 176.329 176.000 0.007 0.000 1.077 390 Q CA -0.768 55.040 55.803 0.010 0.000 0.843 390 Q CB 1.631 30.377 28.738 0.013 0.000 1.367 390 Q HN 0.677 nan 8.270 nan 0.000 0.449 391 D N 0.989 121.415 120.400 0.043 0.000 2.182 391 D HA -0.117 4.522 4.640 -0.000 0.000 0.201 391 D C 1.520 177.838 176.300 0.030 0.000 0.986 391 D CA 1.607 55.640 54.000 0.055 0.000 0.847 391 D CB -0.044 40.811 40.800 0.092 0.000 0.942 391 D HN 0.822 nan 8.370 nan 0.000 0.467 392 G N 0.044 108.856 108.800 0.021 0.000 2.511 392 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.217 392 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.217 392 G C 0.841 175.742 174.900 0.001 0.000 1.133 392 G CA -0.103 45.005 45.100 0.013 0.000 0.792 392 G HN 0.173 nan 8.290 nan 0.000 0.539 393 M N 0.566 120.158 119.600 -0.014 0.000 2.250 393 M HA 0.111 4.591 4.480 -0.000 0.000 0.325 393 M C 1.802 178.088 176.300 -0.024 0.000 1.084 393 M CA 0.054 55.334 55.300 -0.033 0.000 1.161 393 M CB 0.681 33.238 32.600 -0.071 0.000 1.481 393 M HN -0.090 nan 8.290 nan 0.000 0.449 394 T N 1.955 116.502 114.554 -0.012 0.000 2.777 394 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 394 T C 1.544 176.243 174.700 -0.002 0.000 1.040 394 T CA 1.460 63.578 62.100 0.030 0.000 1.141 394 T CB -0.399 68.521 68.868 0.088 0.000 0.868 394 T HN 0.755 nan 8.240 nan 0.000 0.444 395 I N -0.338 120.193 120.570 -0.066 0.000 3.083 395 I HA 0.147 4.317 4.170 -0.000 0.000 0.273 395 I C 2.025 178.060 176.117 -0.136 0.000 1.297 395 I CA 0.829 62.040 61.300 -0.147 0.000 1.452 395 I CB -0.353 37.494 38.000 -0.254 0.000 1.078 395 I HN 0.074 nan 8.210 nan 0.000 0.484 396 A N 0.687 123.454 122.820 -0.090 0.000 2.390 396 A HA 0.273 4.593 4.320 -0.000 0.000 0.232 396 A C 1.954 179.531 177.584 -0.012 0.000 1.233 396 A CA -0.105 51.894 52.037 -0.064 0.000 0.907 396 A CB 0.014 18.976 19.000 -0.063 0.000 0.967 396 A HN 0.421 nan 8.150 nan 0.000 0.512 397 K N -0.268 120.133 120.400 0.001 0.000 2.403 397 K HA 0.173 4.493 4.320 -0.000 0.000 0.199 397 K C -0.163 176.491 176.600 0.089 0.000 1.199 397 K CA 0.269 56.586 56.287 0.049 0.000 0.924 397 K CB 0.605 33.129 32.500 0.040 0.000 1.137 397 K HN 0.392 nan 8.250 nan 0.000 0.510 398 E N 1.918 122.137 120.200 0.032 0.000 2.231 398 E HA 0.089 4.439 4.350 -0.000 0.000 0.277 398 E C -1.009 175.513 176.600 -0.130 0.000 0.999 398 E CA -0.371 56.050 56.400 0.035 0.000 0.827 398 E CB 1.741 31.503 29.700 0.104 0.000 1.101 398 E HN 0.077 nan 8.360 nan 0.000 0.393 399 E N 3.284 123.465 120.200 -0.032 0.000 2.220 399 E HA 0.006 4.356 4.350 -0.000 0.000 0.272 399 E C 0.319 176.829 176.600 -0.150 0.000 1.099 399 E CA -0.036 56.316 56.400 -0.080 0.000 0.907 399 E CB 0.385 30.046 29.700 -0.065 0.000 1.022 399 E HN 0.534 nan 8.360 nan 0.000 0.428 400 I N 4.465 124.897 120.570 -0.230 0.000 2.406 400 I HA -0.081 4.089 4.170 -0.000 0.000 0.249 400 I C 0.506 176.746 176.117 0.205 0.000 1.122 400 I CA 0.143 61.319 61.300 -0.207 0.000 1.431 400 I CB 0.012 37.870 38.000 -0.236 0.000 1.087 400 I HN 0.681 nan 8.210 nan 0.000 0.424 401 F N 1.517 121.444 119.950 -0.038 0.000 3.071 401 F HA -0.161 4.365 4.527 -0.000 0.000 0.295 401 F C 0.419 176.252 175.800 0.055 0.000 0.919 401 F CA 0.610 58.624 58.000 0.025 0.000 1.050 401 F CB -1.333 37.726 39.000 0.098 0.000 1.040 401 F HN 0.159 nan 8.300 nan 0.000 0.692 402 G N -0.494 108.339 108.800 0.054 0.000 2.687 402 G HA2 0.622 4.582 3.960 -0.000 0.000 0.291 402 G HA3 0.622 4.582 3.960 -0.000 0.000 0.291 402 G C -2.960 171.922 174.900 -0.029 0.000 1.420 402 G CA -0.714 44.411 45.100 0.042 0.000 0.796 402 G HN -0.148 nan 8.290 nan 0.000 0.485 403 P HA 0.216 nan 4.420 nan 0.000 0.232 403 P C -0.508 176.848 177.300 0.094 0.000 1.738 403 P CA 0.032 63.199 63.100 0.112 0.000 0.948 403 P CB 0.061 31.953 31.700 0.321 0.000 1.943 404 V N 2.754 122.617 119.914 -0.085 0.000 2.349 404 V HA 0.327 4.447 4.120 -0.000 0.000 0.284 404 V C 0.356 176.375 176.094 -0.125 0.000 1.014 404 V CA -0.669 61.625 62.300 -0.009 0.000 0.826 404 V CB 1.840 33.731 31.823 0.114 0.000 1.009 404 V HN 0.278 nan 8.190 nan 0.000 0.431 405 M N 4.137 123.661 119.600 -0.126 0.000 2.233 405 M HA 0.540 5.019 4.480 -0.000 0.000 0.355 405 M C -0.704 175.628 176.300 0.054 0.000 1.191 405 M CA -0.267 54.950 55.300 -0.138 0.000 1.101 405 M CB 1.288 33.815 32.600 -0.121 0.000 1.592 405 M HN 0.631 nan 8.290 nan 0.000 0.461 406 Q N 5.074 124.878 119.800 0.008 0.000 2.341 406 Q HA 0.552 4.892 4.340 -0.000 0.000 0.268 406 Q C -1.305 174.694 176.000 -0.001 0.000 1.013 406 Q CA 0.020 55.849 55.803 0.043 0.000 0.798 406 Q CB 1.783 30.499 28.738 -0.036 0.000 1.253 406 Q HN 0.688 nan 8.270 nan 0.000 0.457 407 I N 4.060 124.670 120.570 0.067 0.000 2.330 407 I HA 0.337 4.507 4.170 -0.000 0.000 0.289 407 I C -0.870 175.322 176.117 0.124 0.000 1.001 407 I CA -0.820 60.524 61.300 0.074 0.000 1.193 407 I CB 0.699 38.763 38.000 0.108 0.000 1.345 407 I HN 0.314 nan 8.210 nan 0.000 0.461 408 L N 6.586 127.821 121.223 0.020 0.000 2.334 408 L HA 0.515 4.855 4.340 -0.000 0.000 0.270 408 L C -0.006 177.055 176.870 0.317 0.000 1.018 408 L CA -0.410 54.465 54.840 0.058 0.000 0.811 408 L CB 1.263 43.138 42.059 -0.307 0.000 1.271 408 L HN 0.460 nan 8.230 nan 0.000 0.443 409 K N 1.689 122.250 120.400 0.268 0.000 2.207 409 K HA 0.684 5.004 4.320 -0.000 0.000 0.255 409 K C -1.466 175.338 176.600 0.341 0.000 0.941 409 K CA -0.487 55.930 56.287 0.217 0.000 0.825 409 K CB 1.314 33.645 32.500 -0.281 0.000 1.119 409 K HN 0.510 nan 8.250 nan 0.000 0.430 410 F N 1.029 121.061 119.950 0.137 0.000 2.643 410 F HA 0.474 5.001 4.527 -0.000 0.000 0.314 410 F C 0.163 176.000 175.800 0.062 0.000 1.096 410 F CA -0.926 57.141 58.000 0.112 0.000 0.953 410 F CB 1.709 40.794 39.000 0.141 0.000 1.345 410 F HN 0.499 nan 8.300 nan 0.000 0.468 411 K N -0.005 120.441 120.400 0.076 0.000 2.266 411 K HA 0.203 4.523 4.320 -0.000 0.000 0.209 411 K C 0.292 176.895 176.600 0.005 0.000 1.065 411 K CA 0.993 57.246 56.287 -0.057 0.000 0.946 411 K CB 0.296 32.800 32.500 0.007 0.000 1.069 411 K HN 0.895 nan 8.250 nan 0.000 0.472 412 T N -1.995 112.667 114.554 0.180 0.000 2.952 412 T HA 0.261 4.611 4.350 -0.000 0.000 0.286 412 T C 1.151 176.039 174.700 0.312 0.000 1.024 412 T CA -0.819 61.389 62.100 0.179 0.000 1.029 412 T CB 1.464 70.391 68.868 0.097 0.000 1.094 412 T HN 0.189 nan 8.240 nan 0.000 0.515 413 I N 0.408 121.112 120.570 0.223 0.000 2.394 413 I HA -0.085 4.085 4.170 -0.000 0.000 0.251 413 I C 2.016 178.235 176.117 0.171 0.000 1.136 413 I CA 1.407 62.837 61.300 0.216 0.000 1.425 413 I CB -0.016 38.069 38.000 0.142 0.000 1.079 413 I HN 0.762 nan 8.210 nan 0.000 0.425 414 E N 0.513 120.793 120.200 0.133 0.000 2.152 414 E HA -0.245 4.104 4.350 -0.000 0.000 0.192 414 E C 1.904 178.544 176.600 0.066 0.000 0.983 414 E CA 0.991 57.471 56.400 0.133 0.000 0.818 414 E CB -0.166 29.589 29.700 0.091 0.000 0.758 414 E HN 0.531 nan 8.360 nan 0.000 0.467 415 E N 0.558 120.798 120.200 0.068 0.000 2.028 415 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 415 E C 2.100 178.651 176.600 -0.081 0.000 0.988 415 E CA 1.081 57.503 56.400 0.037 0.000 0.799 415 E CB -0.058 29.712 29.700 0.116 0.000 0.755 415 E HN 0.154 nan 8.360 nan 0.000 0.447 416 V N 0.600 120.404 119.914 -0.184 0.000 2.392 416 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 416 V C 2.370 178.164 176.094 -0.500 0.000 1.059 416 V CA 1.610 63.546 62.300 -0.607 0.000 1.051 416 V CB -0.100 31.028 31.823 -1.157 0.000 0.658 416 V HN 0.233 nan 8.190 nan 0.000 0.455 417 V N 0.650 120.409 119.914 -0.259 0.000 2.233 417 V HA -0.223 3.896 4.120 -0.000 0.000 0.247 417 V C 2.690 178.673 176.094 -0.184 0.000 1.050 417 V CA 2.400 64.579 62.300 -0.202 0.000 1.010 417 V CB -1.570 30.188 31.823 -0.110 0.000 0.637 417 V HN 0.633 nan 8.190 nan 0.000 0.444 418 G N -0.552 108.172 108.800 -0.126 0.000 2.440 418 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 418 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 418 G C 1.748 176.586 174.900 -0.102 0.000 1.154 418 G CA 0.856 45.903 45.100 -0.088 0.000 0.767 418 G HN 0.463 nan 8.290 nan 0.000 0.552 419 R N 0.402 120.805 120.500 -0.162 0.000 2.075 419 R HA 0.117 4.457 4.340 -0.000 0.000 0.232 419 R C 3.034 179.252 176.300 -0.137 0.000 1.126 419 R CA 1.056 57.082 56.100 -0.124 0.000 0.963 419 R CB -0.352 29.873 30.300 -0.125 0.000 0.858 419 R HN 0.336 nan 8.270 nan 0.000 0.435 420 A N 1.516 124.115 122.820 -0.368 0.000 1.933 420 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 420 A C 1.644 179.187 177.584 -0.068 0.000 1.175 420 A CA 1.431 53.329 52.037 -0.232 0.000 0.628 420 A CB -0.329 18.458 19.000 -0.356 0.000 0.814 420 A HN 0.227 nan 8.150 nan 0.000 0.444 421 N N 0.129 118.774 118.700 -0.092 0.000 2.409 421 N HA -0.067 4.673 4.740 -0.000 0.000 0.179 421 N C 0.349 175.851 175.510 -0.014 0.000 1.032 421 N CA 0.448 53.469 53.050 -0.047 0.000 0.898 421 N CB -0.542 37.908 38.487 -0.061 0.000 0.971 421 N HN 0.470 nan 8.380 nan 0.000 0.441 422 N N 1.008 119.703 118.700 -0.008 0.000 2.671 422 N HA 0.046 4.785 4.740 -0.000 0.000 0.274 422 N C -1.271 174.257 175.510 0.029 0.000 1.188 422 N CA 0.060 53.115 53.050 0.008 0.000 1.065 422 N CB -0.068 38.428 38.487 0.014 0.000 1.415 422 N HN -0.062 nan 8.380 nan 0.000 0.511 423 S N 0.761 116.470 115.700 0.015 0.000 2.552 423 S HA 0.267 4.737 4.470 -0.000 0.000 0.272 423 S C 0.627 175.200 174.600 -0.045 0.000 1.150 423 S CA -0.644 57.564 58.200 0.015 0.000 0.849 423 S CB 0.633 63.885 63.200 0.086 0.000 1.113 423 S HN 0.292 nan 8.310 nan 0.000 0.458 424 T N 2.135 116.592 114.554 -0.161 0.000 3.023 424 T HA 0.194 4.544 4.350 -0.000 0.000 0.266 424 T C -0.075 174.449 174.700 -0.294 0.000 1.093 424 T CA 1.169 63.094 62.100 -0.292 0.000 1.129 424 T CB -0.316 68.253 68.868 -0.499 0.000 0.899 424 T HN 0.537 nan 8.240 nan 0.000 0.491 425 Y N -0.394 119.922 120.300 0.026 0.000 2.432 425 Y HA 0.578 5.127 4.550 -0.000 0.000 0.322 425 Y C 1.188 177.097 175.900 0.015 0.000 1.246 425 Y CA -1.010 57.105 58.100 0.025 0.000 1.268 425 Y CB 1.512 39.992 38.460 0.034 0.000 1.276 425 Y HN -0.041 nan 8.280 nan 0.000 0.499 426 G N 0.829 109.741 108.800 0.187 0.000 5.374 426 G HA2 0.111 4.070 3.960 -0.000 0.000 0.198 426 G HA3 0.111 4.070 3.960 -0.000 0.000 0.198 426 G C -0.219 174.633 174.900 -0.079 0.000 0.812 426 G CA -0.255 44.868 45.100 0.038 0.000 0.614 426 G HN 0.555 nan 8.290 nan 0.000 0.357 427 L N 0.517 121.706 121.223 -0.056 0.000 2.068 427 L HA 0.756 5.096 4.340 -0.000 0.000 0.204 427 L C 1.104 177.828 176.870 -0.244 0.000 1.076 427 L CA 2.114 56.858 54.840 -0.159 0.000 0.753 427 L CB 0.088 42.103 42.059 -0.073 0.000 0.910 427 L HN 0.452 nan 8.230 nan 0.000 0.439 428 A N -1.924 120.799 122.820 -0.162 0.000 2.602 428 A HA 0.896 5.216 4.320 -0.000 0.000 0.290 428 A C -1.435 176.056 177.584 -0.155 0.000 1.114 428 A CA -0.108 51.765 52.037 -0.274 0.000 0.683 428 A CB 0.945 19.813 19.000 -0.221 0.000 1.281 428 A HN 0.463 nan 8.150 nan 0.000 0.416 429 A N -1.072 121.623 122.820 -0.209 0.000 2.601 429 A HA 1.009 5.329 4.320 -0.000 0.000 0.291 429 A C -0.678 176.948 177.584 0.071 0.000 1.075 429 A CA 0.096 52.132 52.037 -0.002 0.000 0.671 429 A CB 0.660 19.617 19.000 -0.071 0.000 1.277 429 A HN 2.689 nan 8.150 nan 0.000 0.417 430 A N -0.320 122.666 122.820 0.276 0.000 2.587 430 A HA 0.822 5.142 4.320 -0.000 0.000 0.293 430 A C -1.527 176.254 177.584 0.329 0.000 1.087 430 A CA -0.497 51.773 52.037 0.387 0.000 0.692 430 A CB 1.579 21.065 19.000 0.809 0.000 1.291 430 A HN 1.816 nan 8.150 nan 0.000 0.407 431 V N 0.828 120.890 119.914 0.246 0.000 2.686 431 V HA 0.551 4.671 4.120 -0.000 0.000 0.306 431 V C -1.649 174.514 176.094 0.115 0.000 1.065 431 V CA -0.279 62.151 62.300 0.218 0.000 0.894 431 V CB 1.582 33.466 31.823 0.101 0.000 1.004 431 V HN 0.711 nan 8.190 nan 0.000 0.424 432 F N 2.713 122.766 119.950 0.172 0.000 2.375 432 F HA 0.782 5.309 4.527 -0.000 0.000 0.361 432 F C 0.367 176.269 175.800 0.170 0.000 1.117 432 F CA -0.227 57.887 58.000 0.190 0.000 1.037 432 F CB 1.996 41.111 39.000 0.192 0.000 1.192 432 F HN 0.525 nan 8.300 nan 0.000 0.452 433 T N 1.982 116.656 114.554 0.200 0.000 2.830 433 T HA 0.304 4.654 4.350 -0.000 0.000 0.322 433 T C 0.109 174.879 174.700 0.118 0.000 1.501 433 T CA -0.632 61.567 62.100 0.166 0.000 1.036 433 T CB 1.577 70.527 68.868 0.138 0.000 1.379 433 T HN 0.641 nan 8.240 nan 0.000 0.493 434 K N 0.527 120.989 120.400 0.103 0.000 2.354 434 K HA 0.197 4.517 4.320 -0.000 0.000 0.194 434 K C -0.247 176.385 176.600 0.054 0.000 1.038 434 K CA -0.068 56.262 56.287 0.072 0.000 1.052 434 K CB 0.324 32.865 32.500 0.070 0.000 0.861 434 K HN 0.522 nan 8.250 nan 0.000 0.535 435 D N 0.926 121.362 120.400 0.060 0.000 2.277 435 D HA 0.018 4.658 4.640 -0.000 0.000 0.249 435 D C 0.888 177.215 176.300 0.046 0.000 1.134 435 D CA -0.252 53.776 54.000 0.048 0.000 0.863 435 D CB 1.102 41.931 40.800 0.048 0.000 1.143 435 D HN -0.150 nan 8.370 nan 0.000 0.458 436 L N 4.140 125.384 121.223 0.035 0.000 1.989 436 L HA -0.153 4.186 4.340 -0.000 0.000 0.211 436 L C 1.248 178.143 176.870 0.043 0.000 1.071 436 L CA 1.997 56.857 54.840 0.033 0.000 0.749 436 L CB -0.428 41.645 42.059 0.025 0.000 0.890 436 L HN 0.507 nan 8.230 nan 0.000 0.431 437 D N -0.364 120.061 120.400 0.040 0.000 2.117 437 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 437 D C 2.199 178.548 176.300 0.080 0.000 0.987 437 D CA 1.411 55.440 54.000 0.049 0.000 0.829 437 D CB -0.092 40.721 40.800 0.022 0.000 0.961 437 D HN 0.401 nan 8.370 nan 0.000 0.460 438 K N 0.470 120.914 120.400 0.072 0.000 2.057 438 K HA -0.018 4.301 4.320 -0.000 0.000 0.207 438 K C 2.139 178.822 176.600 0.139 0.000 1.049 438 K CA 1.125 57.479 56.287 0.111 0.000 0.931 438 K CB -0.097 32.460 32.500 0.095 0.000 0.714 438 K HN 0.038 nan 8.250 nan 0.000 0.440 439 A N 2.108 124.983 122.820 0.093 0.000 1.877 439 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 439 A C 1.830 179.450 177.584 0.059 0.000 1.186 439 A CA 1.739 53.817 52.037 0.067 0.000 0.620 439 A CB -0.506 18.519 19.000 0.041 0.000 0.822 439 A HN 0.234 nan 8.150 nan 0.000 0.443 440 N N -1.604 117.137 118.700 0.068 0.000 2.188 440 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 440 N C 1.595 177.149 175.510 0.074 0.000 1.018 440 N CA 1.587 54.669 53.050 0.055 0.000 0.858 440 N CB -0.578 37.941 38.487 0.054 0.000 0.989 440 N HN 0.677 nan 8.380 nan 0.000 0.426 441 Y N 1.765 122.063 120.300 -0.005 0.000 2.114 441 Y HA -0.079 4.471 4.550 -0.000 0.000 0.284 441 Y C 2.244 178.133 175.900 -0.019 0.000 1.143 441 Y CA 1.385 59.480 58.100 -0.008 0.000 1.135 441 Y CB -0.513 37.947 38.460 0.000 0.000 0.980 441 Y HN -0.062 nan 8.280 nan 0.000 0.499 442 L N -0.219 121.017 121.223 0.021 0.000 2.027 442 L HA -0.219 4.121 4.340 -0.000 0.000 0.206 442 L C 2.779 179.571 176.870 -0.129 0.000 1.074 442 L CA 1.698 56.485 54.840 -0.088 0.000 0.745 442 L CB -0.858 41.221 42.059 0.033 0.000 0.898 442 L HN 0.410 nan 8.230 nan 0.000 0.433 443 S N -1.074 114.578 115.700 -0.079 0.000 2.419 443 S HA -0.288 4.182 4.470 -0.000 0.000 0.233 443 S C 1.864 176.388 174.600 -0.127 0.000 1.016 443 S CA 1.422 59.562 58.200 -0.101 0.000 0.974 443 S CB -0.303 62.854 63.200 -0.071 0.000 0.786 443 S HN 0.524 nan 8.310 nan 0.000 0.492 444 Q N 0.725 120.445 119.800 -0.133 0.000 2.165 444 Q HA 0.190 4.530 4.340 -0.000 0.000 0.197 444 Q C 2.250 178.146 176.000 -0.174 0.000 0.952 444 Q CA 0.866 56.590 55.803 -0.132 0.000 0.848 444 Q CB -0.385 28.288 28.738 -0.109 0.000 0.931 444 Q HN 0.690 nan 8.270 nan 0.000 0.470 445 A N 0.852 123.505 122.820 -0.279 0.000 1.929 445 A HA 0.073 4.392 4.320 -0.000 0.000 0.216 445 A C 1.010 178.470 177.584 -0.207 0.000 1.176 445 A CA 0.193 52.049 52.037 -0.303 0.000 0.628 445 A CB -0.391 18.281 19.000 -0.547 0.000 0.816 445 A HN 0.361 nan 8.150 nan 0.000 0.444 446 L N 0.986 122.090 121.223 -0.199 0.000 2.462 446 L HA 0.039 4.379 4.340 -0.000 0.000 0.272 446 L C 0.051 176.815 176.870 -0.176 0.000 1.166 446 L CA -0.070 54.665 54.840 -0.175 0.000 0.880 446 L CB 0.423 42.377 42.059 -0.174 0.000 1.142 446 L HN 0.411 nan 8.230 nan 0.000 0.473 447 Q N 3.714 123.432 119.800 -0.137 0.000 2.681 447 Q HA 0.528 4.868 4.340 -0.000 0.000 0.222 447 Q C -0.441 175.351 176.000 -0.346 0.000 1.258 447 Q CA -0.252 55.493 55.803 -0.096 0.000 1.014 447 Q CB 0.930 29.712 28.738 0.073 0.000 1.384 447 Q HN 0.693 nan 8.270 nan 0.000 0.570 448 A N 0.030 122.400 122.820 -0.751 0.000 2.549 448 A HA 0.665 4.985 4.320 -0.000 0.000 0.297 448 A C 0.821 177.741 177.584 -1.107 0.000 1.061 448 A CA -0.454 51.116 52.037 -0.779 0.000 0.690 448 A CB 1.202 19.941 19.000 -0.436 0.000 1.287 448 A HN 0.576 nan 8.150 nan 0.000 0.402 449 G N 0.055 108.338 108.800 -0.862 0.000 2.443 449 G HA2 0.300 4.260 3.960 -0.000 0.000 0.219 449 G HA3 0.300 4.260 3.960 -0.000 0.000 0.219 449 G C 0.470 175.072 174.900 -0.497 0.000 1.131 449 G CA 1.628 46.365 45.100 -0.606 0.000 0.775 449 G HN 0.854 nan 8.290 nan 0.000 0.547 450 T N -0.260 113.957 114.554 -0.561 0.000 2.928 450 T HA 0.497 4.847 4.350 -0.000 0.000 0.296 450 T C -1.152 173.080 174.700 -0.779 0.000 1.000 450 T CA -0.411 61.291 62.100 -0.663 0.000 0.989 450 T CB 2.727 71.099 68.868 -0.826 0.000 1.005 450 T HN -0.114 nan 8.240 nan 0.000 0.442 451 V N 3.832 123.357 119.914 -0.648 0.000 2.378 451 V HA 0.441 4.561 4.120 -0.000 0.000 0.288 451 V C -0.725 175.118 176.094 -0.419 0.000 1.016 451 V CA -0.983 61.033 62.300 -0.473 0.000 0.840 451 V CB 1.245 32.902 31.823 -0.276 0.000 0.994 451 V HN 0.762 nan 8.190 nan 0.000 0.431 452 W N 3.620 124.818 121.300 -0.169 0.000 2.376 452 W HA 0.629 5.289 4.660 -0.000 0.000 0.322 452 W C -0.498 175.940 176.519 -0.135 0.000 1.160 452 W CA -0.748 56.499 57.345 -0.163 0.000 1.218 452 W CB 1.819 31.156 29.460 -0.206 0.000 1.205 452 W HN 0.256 nan 8.180 nan 0.000 0.559 453 V N 4.700 124.657 119.914 0.073 0.000 2.378 453 V HA 0.131 4.251 4.120 -0.000 0.000 0.288 453 V C 0.103 176.076 176.094 -0.201 0.000 1.016 453 V CA -1.009 61.248 62.300 -0.072 0.000 0.840 453 V CB 0.999 32.803 31.823 -0.031 0.000 0.994 453 V HN 0.659 nan 8.190 nan 0.000 0.431 454 N N 2.243 120.568 118.700 -0.624 0.000 2.735 454 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 454 N C -0.305 175.043 175.510 -0.271 0.000 1.083 454 N CA 1.255 53.840 53.050 -0.774 0.000 0.703 454 N CB -1.064 37.362 38.487 -0.102 0.000 1.005 454 N HN 1.110 nan 8.380 nan 0.000 0.550 455 C N -4.260 114.850 119.300 -0.317 0.000 3.216 455 C HA 0.780 5.239 4.460 -0.000 0.000 0.346 455 C C -1.291 173.792 174.990 0.154 0.000 1.384 455 C CA -1.342 57.747 59.018 0.118 0.000 1.208 455 C CB 1.590 29.381 27.740 0.084 0.000 1.483 455 C HN 0.274 nan 8.230 nan 0.000 0.453 456 Y N -0.072 120.054 120.300 -0.291 0.000 2.592 456 Y HA 0.476 5.025 4.550 -0.000 0.000 0.334 456 Y C -0.340 174.872 175.900 -1.147 0.000 1.136 456 Y CA 0.492 58.162 58.100 -0.717 0.000 1.042 456 Y CB 1.366 39.726 38.460 -0.167 0.000 1.325 456 Y HN 1.036 nan 8.280 nan 0.000 0.457 457 D N 1.795 120.823 120.400 -2.288 0.000 2.708 457 D HA -0.134 4.506 4.640 -0.000 0.000 0.236 457 D C -0.992 174.765 176.300 -0.906 0.000 1.146 457 D CA 0.952 54.154 54.000 -1.331 0.000 0.662 457 D CB -0.992 39.649 40.800 -0.266 0.000 1.059 457 D HN 0.156 nan 8.370 nan 0.000 0.428 458 V N 1.423 120.627 119.914 -1.183 0.000 2.304 458 V HA 0.305 4.425 4.120 -0.000 0.000 0.262 458 V C 0.403 176.358 176.094 -0.232 0.000 1.061 458 V CA -0.382 61.667 62.300 -0.417 0.000 0.872 458 V CB -0.071 31.603 31.823 -0.249 0.000 1.077 458 V HN -0.003 nan 8.190 nan 0.000 0.480 459 F N 2.374 122.339 119.950 0.025 0.000 2.443 459 F HA 0.770 5.297 4.527 -0.000 0.000 0.335 459 F C 0.889 176.690 175.800 0.002 0.000 1.104 459 F CA -0.481 57.534 58.000 0.025 0.000 1.013 459 F CB 1.903 40.887 39.000 -0.026 0.000 1.136 459 F HN 0.475 nan 8.300 nan 0.000 0.470 460 G N 0.483 109.366 108.800 0.138 0.000 2.452 460 G HA2 0.517 4.477 3.960 -0.000 0.000 0.324 460 G HA3 0.517 4.477 3.960 -0.000 0.000 0.324 460 G C 0.339 175.199 174.900 -0.066 0.000 1.214 460 G CA -0.476 44.640 45.100 0.027 0.000 0.947 460 G HN 0.876 nan 8.290 nan 0.000 0.478 461 A N 1.122 123.854 122.820 -0.147 0.000 2.024 461 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 461 A C 2.147 179.252 177.584 -0.799 0.000 1.164 461 A CA 1.820 53.661 52.037 -0.326 0.000 0.643 461 A CB -0.176 18.648 19.000 -0.293 0.000 0.806 461 A HN 0.590 nan 8.150 nan 0.000 0.451 462 Q N -0.096 119.270 119.800 -0.723 0.000 2.245 462 Q HA 0.133 4.473 4.340 -0.000 0.000 0.201 462 Q C 0.513 176.442 176.000 -0.118 0.000 0.955 462 Q CA 0.708 56.177 55.803 -0.557 0.000 0.870 462 Q CB 0.046 28.642 28.738 -0.238 0.000 0.945 462 Q HN 0.455 nan 8.270 nan 0.000 0.461 463 S N 2.148 117.805 115.700 -0.070 0.000 2.480 463 S HA 0.344 4.813 4.470 -0.000 0.000 0.286 463 S C -2.450 172.183 174.600 0.055 0.000 1.180 463 S CA -1.414 56.805 58.200 0.032 0.000 1.075 463 S CB 0.998 64.214 63.200 0.026 0.000 0.996 463 S HN 0.057 nan 8.310 nan 0.000 0.487 464 P HA 0.200 nan 4.420 nan 0.000 0.269 464 P C -1.001 176.334 177.300 0.058 0.000 1.209 464 P CA -0.191 62.942 63.100 0.056 0.000 0.776 464 P CB 0.305 31.950 31.700 -0.091 0.000 0.876 465 F N 2.235 122.107 119.950 -0.130 0.000 2.579 465 F HA 0.663 5.190 4.527 -0.000 0.000 0.325 465 F C -0.343 175.398 175.800 -0.098 0.000 1.162 465 F CA 0.064 57.992 58.000 -0.120 0.000 0.946 465 F CB 1.695 40.619 39.000 -0.126 0.000 1.211 465 F HN 0.580 nan 8.300 nan 0.000 0.447 466 G N 2.289 110.678 108.800 -0.684 0.000 2.550 466 G HA2 0.555 4.515 3.960 -0.000 0.000 0.293 466 G HA3 0.555 4.515 3.960 -0.000 0.000 0.293 466 G C -1.555 173.080 174.900 -0.443 0.000 1.402 466 G CA -0.277 44.510 45.100 -0.521 0.000 0.784 466 G HN 0.972 nan 8.290 nan 0.000 0.482 467 G N -1.692 106.973 108.800 -0.225 0.000 2.600 467 G HA2 0.620 4.580 3.960 -0.000 0.000 0.303 467 G HA3 0.620 4.580 3.960 -0.000 0.000 0.303 467 G C -1.601 173.388 174.900 0.148 0.000 1.253 467 G CA -0.605 44.442 45.100 -0.087 0.000 0.974 467 G HN 0.379 nan 8.290 nan 0.000 0.483 468 Y N 0.417 120.653 120.300 -0.107 0.000 2.488 468 Y HA 0.460 5.010 4.550 -0.000 0.000 0.325 468 Y C 1.373 177.247 175.900 -0.043 0.000 1.204 468 Y CA -1.186 56.866 58.100 -0.081 0.000 1.229 468 Y CB 1.477 39.887 38.460 -0.084 0.000 1.274 468 Y HN 0.867 nan 8.280 nan 0.000 0.493 469 K N -0.418 120.023 120.400 0.069 0.000 1.867 469 K HA -0.324 3.995 4.320 -0.000 0.000 0.140 469 K C 0.515 177.130 176.600 0.026 0.000 1.408 469 K CA 1.809 58.110 56.287 0.023 0.000 0.461 469 K CB -1.063 31.456 32.500 0.031 0.000 0.594 469 K HN 0.637 nan 8.250 nan 0.000 0.888 470 M N 1.295 120.904 119.600 0.016 0.000 2.654 470 M HA 0.026 4.506 4.480 -0.000 0.000 0.217 470 M C 0.434 176.829 176.300 0.159 0.000 1.183 470 M CA 0.481 55.799 55.300 0.030 0.000 0.991 470 M CB 0.014 32.574 32.600 -0.067 0.000 1.749 470 M HN 0.334 nan 8.290 nan 0.000 0.475 471 S N -0.049 115.756 115.700 0.174 0.000 2.556 471 S HA 0.390 4.860 4.470 -0.000 0.000 0.216 471 S C 0.748 175.401 174.600 0.089 0.000 0.970 471 S CA 0.315 58.631 58.200 0.194 0.000 0.912 471 S CB 0.440 63.727 63.200 0.144 0.000 0.790 471 S HN 0.771 nan 8.310 nan 0.000 0.504 472 G N 1.317 110.160 108.800 0.072 0.000 2.408 472 G HA2 0.105 4.065 3.960 -0.000 0.000 0.682 472 G HA3 0.105 4.065 3.960 -0.000 0.000 0.682 472 G C -0.731 174.173 174.900 0.006 0.000 1.303 472 G CA -0.524 44.600 45.100 0.042 0.000 0.966 472 G HN 0.714 nan 8.290 nan 0.000 0.560 473 S N -0.959 114.737 115.700 -0.006 0.000 2.599 473 S HA 1.040 5.510 4.470 -0.000 0.000 0.294 473 S C 0.564 175.141 174.600 -0.039 0.000 1.094 473 S CA 0.436 58.618 58.200 -0.031 0.000 0.931 473 S CB 1.662 64.842 63.200 -0.033 0.000 1.093 473 S HN 3.004 nan 8.310 nan 0.000 0.488 474 G N 1.199 109.968 108.800 -0.052 0.000 2.787 474 G HA2 0.051 4.010 3.960 -0.000 0.000 0.685 474 G HA3 0.051 4.010 3.960 -0.000 0.000 0.685 474 G C -1.159 173.708 174.900 -0.056 0.000 1.437 474 G CA -0.916 44.153 45.100 -0.051 0.000 0.872 474 G HN 0.772 nan 8.290 nan 0.000 0.566 475 R N 0.317 120.797 120.500 -0.034 0.000 2.888 475 R HA 0.694 5.033 4.340 -0.000 0.000 0.266 475 R C -0.086 176.230 176.300 0.027 0.000 1.020 475 R CA -0.741 55.340 56.100 -0.032 0.000 0.963 475 R CB 1.804 32.079 30.300 -0.042 0.000 1.197 475 R HN 0.765 nan 8.270 nan 0.000 0.481 476 E N 1.058 121.277 120.200 0.032 0.000 2.336 476 E HA 0.548 4.897 4.350 -0.000 0.000 0.267 476 E C -0.535 176.084 176.600 0.031 0.000 0.906 476 E CA -0.947 55.480 56.400 0.046 0.000 0.781 476 E CB 2.179 31.881 29.700 0.003 0.000 1.261 476 E HN 0.341 nan 8.360 nan 0.000 0.436 477 L N 0.161 121.438 121.223 0.090 0.000 0.585 477 L HA -0.259 4.081 4.340 -0.000 0.000 0.356 477 L C 0.542 177.549 176.870 0.227 0.000 0.995 477 L CA 0.924 55.847 54.840 0.138 0.000 1.223 477 L CB -1.033 40.925 42.059 -0.169 0.000 0.010 477 L HN 1.012 nan 8.230 nan 0.000 0.091 478 G N 0.641 109.551 108.800 0.184 0.000 2.752 478 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.234 478 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.234 478 G C 0.378 175.460 174.900 0.304 0.000 1.367 478 G CA 0.765 46.046 45.100 0.303 0.000 0.879 478 G HN 1.141 nan 8.290 nan 0.000 0.563 479 E N -0.992 119.299 120.200 0.152 0.000 2.204 479 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 479 E C 2.048 178.415 176.600 -0.390 0.000 0.990 479 E CA 1.736 57.901 56.400 -0.391 0.000 0.821 479 E CB -0.144 29.348 29.700 -0.346 0.000 0.750 479 E HN 0.625 nan 8.360 nan 0.000 0.477 480 Y N -0.616 119.656 120.300 -0.047 0.000 2.421 480 Y HA -0.012 4.538 4.550 -0.000 0.000 0.292 480 Y C 2.386 178.257 175.900 -0.050 0.000 1.136 480 Y CA 0.868 58.944 58.100 -0.041 0.000 1.255 480 Y CB -0.445 38.014 38.460 -0.001 0.000 0.991 480 Y HN 0.135 nan 8.280 nan 0.000 0.552 481 G N -0.063 108.823 108.800 0.144 0.000 2.471 481 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.219 481 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.219 481 G C 1.519 176.457 174.900 0.063 0.000 1.125 481 G CA 0.621 45.806 45.100 0.142 0.000 0.775 481 G HN 0.377 nan 8.290 nan 0.000 0.548 482 L N -0.286 120.837 121.223 -0.168 0.000 2.240 482 L HA -0.028 4.312 4.340 -0.000 0.000 0.211 482 L C 3.011 179.701 176.870 -0.299 0.000 1.106 482 L CA 0.606 55.219 54.840 -0.379 0.000 0.793 482 L CB -0.398 41.027 42.059 -1.057 0.000 0.927 482 L HN 0.285 nan 8.230 nan 0.000 0.446 483 Q N 0.379 120.055 119.800 -0.207 0.000 2.084 483 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 483 Q C 2.413 178.364 176.000 -0.082 0.000 0.978 483 Q CA 1.659 57.420 55.803 -0.071 0.000 0.844 483 Q CB -0.298 28.437 28.738 -0.005 0.000 0.898 483 Q HN 0.543 nan 8.270 nan 0.000 0.426 484 A N -0.065 122.680 122.820 -0.125 0.000 2.067 484 A HA -0.119 4.200 4.320 -0.000 0.000 0.219 484 A C 0.881 178.189 177.584 -0.460 0.000 1.158 484 A CA 0.854 52.720 52.037 -0.285 0.000 0.661 484 A CB -0.299 18.477 19.000 -0.373 0.000 0.801 484 A HN 0.410 nan 8.150 nan 0.000 0.452 485 Y N -0.529 119.731 120.300 -0.065 0.000 2.658 485 Y HA 0.287 4.837 4.550 -0.000 0.000 0.276 485 Y C 0.454 176.347 175.900 -0.013 0.000 1.167 485 Y CA 0.049 58.122 58.100 -0.044 0.000 1.230 485 Y CB 0.508 38.932 38.460 -0.059 0.000 1.144 485 Y HN 0.062 nan 8.280 nan 0.000 0.529 486 T N 0.598 115.185 114.554 0.054 0.000 2.893 486 T HA 0.391 4.741 4.350 -0.000 0.000 0.293 486 T C -0.735 173.977 174.700 0.019 0.000 1.027 486 T CA -0.895 61.251 62.100 0.077 0.000 0.988 486 T CB 1.518 70.462 68.868 0.128 0.000 1.043 486 T HN -0.039 nan 8.240 nan 0.000 0.461 487 K N 1.821 122.251 120.400 0.049 0.000 2.164 487 K HA 0.674 4.994 4.320 -0.000 0.000 0.258 487 K C -0.976 175.638 176.600 0.024 0.000 0.951 487 K CA -0.786 55.517 56.287 0.027 0.000 0.844 487 K CB 2.004 34.538 32.500 0.057 0.000 1.099 487 K HN 0.254 nan 8.250 nan 0.000 0.435 488 V N 3.733 123.646 119.914 -0.003 0.000 2.333 488 V HA 0.197 4.317 4.120 -0.000 0.000 0.274 488 V C -0.086 176.024 176.094 0.026 0.000 1.028 488 V CA -0.554 61.759 62.300 0.023 0.000 0.851 488 V CB 0.905 32.720 31.823 -0.014 0.000 1.000 488 V HN 0.617 nan 8.190 nan 0.000 0.456 489 K N 3.352 123.778 120.400 0.043 0.000 2.206 489 K HA 0.551 4.871 4.320 -0.000 0.000 0.264 489 K C -0.562 175.999 176.600 -0.065 0.000 0.967 489 K CA -0.350 55.932 56.287 -0.008 0.000 0.844 489 K CB 1.384 33.887 32.500 0.006 0.000 1.099 489 K HN 0.653 nan 8.250 nan 0.000 0.441 490 T N 2.992 117.472 114.554 -0.123 0.000 2.771 490 T HA 0.319 4.669 4.350 -0.000 0.000 0.281 490 T C -0.887 173.616 174.700 -0.328 0.000 0.982 490 T CA -0.586 61.382 62.100 -0.219 0.000 0.978 490 T CB 1.274 70.040 68.868 -0.169 0.000 0.930 490 T HN 0.288 nan 8.240 nan 0.000 0.447 491 V N 3.999 123.544 119.914 -0.615 0.000 2.378 491 V HA 0.456 4.575 4.120 -0.000 0.000 0.288 491 V C 0.124 175.831 176.094 -0.645 0.000 1.016 491 V CA -0.716 61.187 62.300 -0.662 0.000 0.840 491 V CB 1.660 32.920 31.823 -0.937 0.000 0.994 491 V HN 0.943 nan 8.190 nan 0.000 0.431 492 T N 4.749 119.099 114.554 -0.340 0.000 2.791 492 T HA 0.543 4.893 4.350 -0.000 0.000 0.288 492 T C -0.290 174.382 174.700 -0.047 0.000 0.999 492 T CA -0.324 61.643 62.100 -0.221 0.000 0.952 492 T CB 1.378 70.104 68.868 -0.237 0.000 0.938 492 T HN 0.346 nan 8.240 nan 0.000 0.444 493 V N 3.997 123.968 119.914 0.096 0.000 2.435 493 V HA 0.439 4.559 4.120 -0.000 0.000 0.290 493 V C 0.434 176.753 176.094 0.374 0.000 1.030 493 V CA -1.136 61.305 62.300 0.235 0.000 0.881 493 V CB 1.661 33.673 31.823 0.316 0.000 0.983 493 V HN 0.730 nan 8.190 nan 0.000 0.445 494 K N 3.991 124.587 120.400 0.327 0.000 2.379 494 K HA 0.481 4.801 4.320 -0.000 0.000 0.284 494 K C -0.505 176.141 176.600 0.076 0.000 1.044 494 K CA -0.253 56.160 56.287 0.209 0.000 0.974 494 K CB 1.004 33.605 32.500 0.168 0.000 0.962 494 K HN 0.682 nan 8.250 nan 0.000 0.474 495 V N 1.984 121.877 119.914 -0.036 0.000 2.960 495 V HA 0.426 4.546 4.120 -0.000 0.000 0.315 495 V C -2.124 173.922 176.094 -0.079 0.000 1.087 495 V CA -1.954 60.334 62.300 -0.020 0.000 0.982 495 V CB 1.309 33.141 31.823 0.016 0.000 1.039 495 V HN 0.675 nan 8.190 nan 0.000 0.437 496 P HA -0.085 nan 4.420 nan 0.000 0.214 496 P C 0.022 177.279 177.300 -0.071 0.000 1.163 496 P CA 1.399 64.466 63.100 -0.056 0.000 0.889 496 P CB 0.119 31.797 31.700 -0.038 0.000 0.790 497 Q N -1.279 118.482 119.800 -0.065 0.000 2.371 497 Q HA 0.166 4.506 4.340 -0.000 0.000 0.244 497 Q C -1.106 174.863 176.000 -0.052 0.000 0.882 497 Q CA -0.689 55.076 55.803 -0.064 0.000 0.866 497 Q CB 1.064 29.774 28.738 -0.047 0.000 1.399 497 Q HN -0.162 nan 8.270 nan 0.000 0.432 498 K N 3.574 123.942 120.400 -0.053 0.000 2.298 498 K HA 0.288 4.608 4.320 -0.000 0.000 0.280 498 K C -0.958 175.633 176.600 -0.015 0.000 1.032 498 K CA 0.119 56.391 56.287 -0.024 0.000 0.958 498 K CB 0.639 33.135 32.500 -0.007 0.000 0.978 498 K HN 0.625 nan 8.250 nan 0.000 0.472 499 N N 1.446 120.140 118.700 -0.009 0.000 2.242 499 N HA 0.112 4.852 4.740 -0.000 0.000 0.292 499 N C -0.871 174.639 175.510 0.001 0.000 1.125 499 N CA -0.576 52.470 53.050 -0.007 0.000 0.783 499 N CB 1.999 40.476 38.487 -0.016 0.000 1.558 499 N HN 0.724 nan 8.380 nan 0.000 0.472 500 S N 0.000 115.702 115.700 0.004 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.205 58.200 0.009 0.000 1.107 500 S CB 0.000 63.205 63.200 0.008 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517