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 3b3b_1_A DATA FIRST_RESID 5 DATA SEQUENCE PQAKYRHDYR APDYQITDID LTFDLDAQKT VVTAVSQAVR HGASDAPLRL DATA SEQUENCE NGEDLKLVSV HINDEPWTAW KEEEGALVIS NLPERFTLKI INEISPAANT DATA SEQUENCE ALEGLYQSGD ALCTQCEAEG FRHITYYLDR PDVLARFTTK IIADKIKYPF DATA SEQUENCE LLSNGNRVAQ GELENGRHWV QWQDPFPKPC YLFALVAGDF DVLRDTFTTR DATA SEQUENCE SGREVALELY VDRGNLDRAP WAMTSLKNSM KWDEERFGLE YDLDIYMIVA DATA SEQUENCE VDFFNMGAME NKGLNIFNSK YVLARTDTAT DKDYLDIERV IGHEYFHNWT DATA SEQUENCE GNRVTCRDWF QLSLKEGLTV FRDQEFSSDL GSRAVNRINN VRTMRGLQFA DATA SEQUENCE EDASPMAHPI RPDMVIEMNN FYTLTVYEKG AEVIRMIHTL LGEENFQKGM DATA SEQUENCE QLYFERHDGS AATCDDFVQA MEDASNVDLS HFRRWYSQSG TPIVTVKDDY DATA SEQUENCE NPETEQYTLT ISQRTPATPD QAEKQPLHIP FAIELYDNEG KVIPLQKGGH DATA SEQUENCE PVNSVLNVTQ AEQTFVFDNV YFQPVPALLC EFSAPVKLEY KWSDQQLTFL DATA SEQUENCE MRHARNDFSR WDAAQSLLAT YIKLNVARHQ QGQPLSLPVH VADAFRAVLL DATA SEQUENCE DEKIDPALAA EILTLPSVNE MAELFDIIDP IAIAEVREAL TRTLATELAD DATA SEQUENCE ELLAIYNANY QSEYRVEHED IAKRTLRNAC LRFLAFGETH LADVLVSKQF DATA SEQUENCE HEANNMTDAL AALSAAVAAQ LPCRDALMQE YDDKWHQNGL VMDKWFILQA DATA SEQUENCE TSPAANVLET VRGLLQHRSF TMSNPNRIRS LIGAFAGSNP AAFHAEDGSG DATA SEQUENCE YLFLVEMLTD LNSRNPQVAS RLIEPLIRLK RYDAKRQEKM RAALEQLKGL DATA SEQUENCE ENLSGDLYEK ITKALA 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.276 177.300 -0.040 0.000 1.155 5 P CA 0.000 63.002 63.100 -0.163 0.000 0.800 5 P CB 0.000 31.580 31.700 -0.200 0.000 0.726 6 Q N 1.068 120.881 119.800 0.021 0.000 2.282 6 Q HA 0.809 5.150 4.340 0.002 0.000 0.260 6 Q C -0.518 175.524 176.000 0.069 0.000 0.964 6 Q CA -0.302 55.541 55.803 0.067 0.000 0.880 6 Q CB 1.862 30.643 28.738 0.072 0.000 1.286 6 Q HN 0.679 nan 8.270 nan 0.000 0.445 7 A N 3.580 126.443 122.820 0.071 0.000 2.407 7 A HA 0.439 4.760 4.320 0.002 0.000 0.248 7 A C -0.526 176.978 177.584 -0.133 0.000 1.082 7 A CA -0.160 51.836 52.037 -0.069 0.000 0.785 7 A CB 0.380 19.276 19.000 -0.173 0.000 1.020 7 A HN 0.652 nan 8.150 nan 0.000 0.489 8 K N 0.609 120.893 120.400 -0.193 0.000 2.203 8 K HA 0.533 4.854 4.320 0.002 0.000 0.251 8 K C -1.768 174.689 176.600 -0.238 0.000 0.944 8 K CA -0.260 55.999 56.287 -0.047 0.000 0.829 8 K CB 1.752 34.345 32.500 0.156 0.000 1.125 8 K HN 0.677 nan 8.250 nan 0.000 0.430 9 Y N 0.468 120.758 120.300 -0.017 0.000 2.409 9 Y HA 0.267 4.818 4.550 0.002 0.000 0.343 9 Y C 1.330 176.709 175.900 -0.868 0.000 0.973 9 Y CA -0.757 57.056 58.100 -0.478 0.000 1.064 9 Y CB 1.876 39.899 38.460 -0.729 0.000 1.207 9 Y HN 0.583 nan 8.280 nan 0.000 0.452 10 R N 1.404 121.132 120.500 -1.286 0.000 2.091 10 R HA -0.176 4.165 4.340 0.002 0.000 0.238 10 R C 1.857 177.913 176.300 -0.406 0.000 1.136 10 R CA 2.107 57.446 56.100 -1.270 0.000 0.959 10 R CB -0.289 29.437 30.300 -0.955 0.000 0.856 10 R HN 0.960 nan 8.270 nan 0.000 0.437 11 H N -1.870 117.115 119.070 -0.142 0.000 2.545 11 H HA -0.031 4.526 4.556 0.002 0.000 0.282 11 H C 0.315 175.656 175.328 0.023 0.000 1.020 11 H CA 0.642 56.672 56.048 -0.031 0.000 1.243 11 H CB 0.051 29.796 29.762 -0.029 0.000 1.377 11 H HN 0.233 nan 8.280 nan 0.000 0.581 12 D N 0.649 121.075 120.400 0.044 0.000 2.340 12 D HA -0.052 4.589 4.640 0.002 0.000 0.220 12 D C 0.147 176.512 176.300 0.107 0.000 1.039 12 D CA -0.108 53.969 54.000 0.129 0.000 0.866 12 D CB -0.495 40.376 40.800 0.119 0.000 0.913 12 D HN 0.392 nan 8.370 nan 0.000 0.523 13 Y N 2.421 122.743 120.300 0.037 0.000 2.805 13 Y HA -0.063 4.489 4.550 0.002 0.000 0.331 13 Y C 0.425 176.360 175.900 0.057 0.000 1.241 13 Y CA 0.307 58.444 58.100 0.061 0.000 1.546 13 Y CB 0.276 38.767 38.460 0.052 0.000 1.248 13 Y HN -0.211 nan 8.280 nan 0.000 0.559 14 R N 5.164 125.110 120.500 -0.923 0.000 2.621 14 R HA 0.708 5.049 4.340 0.002 0.000 0.284 14 R C -1.095 174.685 176.300 -0.866 0.000 0.998 14 R CA -0.572 55.127 56.100 -0.669 0.000 0.895 14 R CB 1.223 31.367 30.300 -0.260 0.000 1.195 14 R HN 0.873 nan 8.270 nan 0.000 0.450 15 A N 5.038 127.579 122.820 -0.466 0.000 2.555 15 A HA 0.216 4.537 4.320 0.002 0.000 0.233 15 A C -2.002 175.483 177.584 -0.166 0.000 1.060 15 A CA -0.683 51.234 52.037 -0.199 0.000 0.759 15 A CB -0.396 18.583 19.000 -0.035 0.000 0.995 15 A HN 0.582 nan 8.150 nan 0.000 0.506 16 P HA 0.126 nan 4.420 nan 0.000 0.271 16 P C -0.228 177.047 177.300 -0.042 0.000 1.216 16 P CA -0.253 62.812 63.100 -0.059 0.000 0.776 16 P CB 0.712 32.391 31.700 -0.035 0.000 0.881 17 D N 0.561 120.968 120.400 0.013 0.000 2.218 17 D HA -0.094 4.547 4.640 0.002 0.000 0.204 17 D C 0.089 176.271 176.300 -0.196 0.000 0.976 17 D CA 1.829 55.800 54.000 -0.047 0.000 0.853 17 D CB -0.119 40.702 40.800 0.034 0.000 0.939 17 D HN 0.450 nan 8.370 nan 0.000 0.481 18 Y N -0.161 120.163 120.300 0.039 0.000 2.477 18 Y HA 0.342 4.893 4.550 0.002 0.000 0.347 18 Y C 0.371 176.254 175.900 -0.028 0.000 0.981 18 Y CA -0.980 57.156 58.100 0.060 0.000 1.033 18 Y CB 1.563 40.050 38.460 0.046 0.000 1.245 18 Y HN -0.361 nan 8.280 nan 0.000 0.455 19 Q N 2.498 122.387 119.800 0.149 0.000 2.257 19 Q HA 0.563 4.904 4.340 0.002 0.000 0.262 19 Q C -1.003 174.990 176.000 -0.012 0.000 0.997 19 Q CA -0.709 55.097 55.803 0.006 0.000 0.873 19 Q CB 2.883 31.588 28.738 -0.054 0.000 1.312 19 Q HN 0.694 nan 8.270 nan 0.000 0.450 20 I N 0.993 121.519 120.570 -0.073 0.000 2.378 20 I HA 0.172 4.343 4.170 0.002 0.000 0.291 20 I C 1.280 177.373 176.117 -0.040 0.000 0.992 20 I CA -0.144 61.099 61.300 -0.096 0.000 1.154 20 I CB 1.921 39.827 38.000 -0.157 0.000 1.315 20 I HN 0.716 nan 8.210 nan 0.000 0.448 21 T N -0.064 114.462 114.554 -0.047 0.000 3.040 21 T HA 0.220 4.571 4.350 0.002 0.000 0.252 21 T C 0.350 175.034 174.700 -0.027 0.000 1.064 21 T CA 0.260 62.348 62.100 -0.020 0.000 1.110 21 T CB 0.264 69.119 68.868 -0.021 0.000 0.921 21 T HN 0.476 nan 8.240 nan 0.000 0.480 22 D N 0.290 120.652 120.400 -0.064 0.000 2.927 22 D HA 0.463 5.104 4.640 0.002 0.000 0.219 22 D C -1.671 174.542 176.300 -0.146 0.000 1.248 22 D CA -0.478 53.469 54.000 -0.087 0.000 0.861 22 D CB 2.851 43.614 40.800 -0.061 0.000 1.677 22 D HN 0.288 nan 8.370 nan 0.000 0.511 23 I N 0.959 121.373 120.570 -0.260 0.000 2.533 23 I HA 0.255 4.426 4.170 0.002 0.000 0.290 23 I C -1.582 174.396 176.117 -0.232 0.000 1.056 23 I CA -0.510 60.609 61.300 -0.303 0.000 1.057 23 I CB 2.192 39.876 38.000 -0.525 0.000 1.240 23 I HN 0.155 nan 8.210 nan 0.000 0.423 24 D N 8.639 128.962 120.400 -0.127 0.000 2.414 24 D HA 0.366 5.007 4.640 0.002 0.000 0.232 24 D C -1.223 175.044 176.300 -0.055 0.000 1.070 24 D CA -0.276 53.693 54.000 -0.051 0.000 0.839 24 D CB 1.348 42.126 40.800 -0.037 0.000 1.079 24 D HN 0.474 nan 8.370 nan 0.000 0.521 25 L N 2.509 123.739 121.223 0.011 0.000 2.322 25 L HA 0.416 4.757 4.340 0.002 0.000 0.279 25 L C 0.323 177.213 176.870 0.033 0.000 1.036 25 L CA -0.427 54.399 54.840 -0.023 0.000 0.807 25 L CB 2.036 44.150 42.059 0.092 0.000 1.226 25 L HN 0.248 nan 8.230 nan 0.000 0.433 26 T N 2.236 116.721 114.554 -0.116 0.000 2.841 26 T HA 0.546 4.897 4.350 0.002 0.000 0.285 26 T C -0.836 173.760 174.700 -0.173 0.000 0.991 26 T CA -0.342 61.737 62.100 -0.035 0.000 0.966 26 T CB 0.778 69.601 68.868 -0.075 0.000 0.962 26 T HN 0.064 nan 8.240 nan 0.000 0.438 27 F N 2.112 122.082 119.950 0.034 0.000 2.426 27 F HA 0.350 4.878 4.527 0.002 0.000 0.348 27 F C 0.512 176.319 175.800 0.012 0.000 1.124 27 F CA -1.165 56.847 58.000 0.020 0.000 1.008 27 F CB 1.224 40.250 39.000 0.044 0.000 1.139 27 F HN 0.396 nan 8.300 nan 0.000 0.452 28 D N 5.017 125.494 120.400 0.127 0.000 2.456 28 D HA 0.244 4.885 4.640 0.002 0.000 0.219 28 D C -0.465 175.899 176.300 0.107 0.000 1.126 28 D CA -0.024 54.034 54.000 0.097 0.000 0.890 28 D CB 0.427 41.252 40.800 0.042 0.000 1.025 28 D HN 0.420 nan 8.370 nan 0.000 0.511 29 L N 2.988 124.272 121.223 0.102 0.000 2.349 29 L HA 0.350 4.691 4.340 0.002 0.000 0.275 29 L C 0.134 177.025 176.870 0.037 0.000 1.115 29 L CA -0.112 54.749 54.840 0.035 0.000 0.820 29 L CB 1.033 43.022 42.059 -0.116 0.000 1.135 29 L HN 0.389 nan 8.230 nan 0.000 0.445 30 D N 1.371 121.794 120.400 0.039 0.000 2.769 30 D HA 0.368 5.009 4.640 0.002 0.000 0.219 30 D C 0.260 176.606 176.300 0.077 0.000 1.245 30 D CA -0.214 53.841 54.000 0.092 0.000 0.801 30 D CB 1.594 42.450 40.800 0.094 0.000 1.598 30 D HN 0.440 nan 8.370 nan 0.000 0.485 31 A N 2.105 124.996 122.820 0.119 0.000 1.933 31 A HA -0.184 4.137 4.320 0.002 0.000 0.218 31 A C 1.743 179.364 177.584 0.063 0.000 1.175 31 A CA 1.385 53.477 52.037 0.092 0.000 0.628 31 A CB -0.334 18.735 19.000 0.116 0.000 0.814 31 A HN 0.605 nan 8.150 nan 0.000 0.444 32 Q N -0.925 118.912 119.800 0.061 0.000 2.096 32 Q HA 0.080 4.421 4.340 0.002 0.000 0.197 32 Q C 0.768 176.792 176.000 0.040 0.000 0.964 32 Q CA 1.224 57.054 55.803 0.045 0.000 0.838 32 Q CB 0.030 28.793 28.738 0.041 0.000 0.906 32 Q HN 0.688 nan 8.270 nan 0.000 0.444 33 K N 0.452 120.878 120.400 0.044 0.000 2.687 33 K HA 0.273 4.595 4.320 0.002 0.000 0.249 33 K C -1.440 175.185 176.600 0.042 0.000 0.994 33 K CA 0.052 56.361 56.287 0.037 0.000 0.913 33 K CB 1.352 33.870 32.500 0.030 0.000 1.202 33 K HN -0.185 nan 8.250 nan 0.000 0.460 34 T N 2.871 117.451 114.554 0.043 0.000 2.795 34 T HA 0.307 4.659 4.350 0.002 0.000 0.282 34 T C -0.603 174.111 174.700 0.025 0.000 0.980 34 T CA -0.468 61.666 62.100 0.058 0.000 1.012 34 T CB 1.268 70.196 68.868 0.101 0.000 0.936 34 T HN 0.248 nan 8.240 nan 0.000 0.457 35 V N 4.611 124.531 119.914 0.010 0.000 2.370 35 V HA 0.381 4.502 4.120 0.002 0.000 0.279 35 V C 0.007 176.031 176.094 -0.118 0.000 1.029 35 V CA -0.691 61.583 62.300 -0.043 0.000 0.870 35 V CB 1.431 33.235 31.823 -0.032 0.000 0.984 35 V HN 0.660 nan 8.190 nan 0.000 0.451 36 V N 4.202 123.993 119.914 -0.206 0.000 2.398 36 V HA 0.449 4.570 4.120 0.002 0.000 0.286 36 V C 0.291 176.205 176.094 -0.301 0.000 1.026 36 V CA -0.260 61.795 62.300 -0.408 0.000 0.868 36 V CB 1.830 33.346 31.823 -0.512 0.000 0.982 36 V HN 0.929 nan 8.190 nan 0.000 0.443 37 T N 4.449 118.818 114.554 -0.307 0.000 2.770 37 T HA 0.710 5.061 4.350 0.002 0.000 0.283 37 T C -0.092 174.475 174.700 -0.220 0.000 0.988 37 T CA -0.303 61.671 62.100 -0.209 0.000 0.957 37 T CB 1.449 70.223 68.868 -0.158 0.000 0.930 37 T HN 0.892 nan 8.240 nan 0.000 0.443 38 A N 3.166 125.885 122.820 -0.167 0.000 2.332 38 A HA 0.701 5.022 4.320 0.002 0.000 0.300 38 A C -0.618 176.916 177.584 -0.083 0.000 1.153 38 A CA -0.642 51.313 52.037 -0.136 0.000 0.764 38 A CB 0.921 19.849 19.000 -0.120 0.000 1.174 38 A HN 0.666 nan 8.150 nan 0.000 0.467 39 V N 2.798 122.663 119.914 -0.083 0.000 2.313 39 V HA 0.443 4.564 4.120 0.002 0.000 0.278 39 V C 0.086 176.141 176.094 -0.066 0.000 1.017 39 V CA -0.261 62.000 62.300 -0.066 0.000 0.823 39 V CB 1.087 32.868 31.823 -0.069 0.000 1.010 39 V HN 0.841 nan 8.190 nan 0.000 0.443 40 S N 4.371 120.042 115.700 -0.049 0.000 2.472 40 S HA 0.514 4.986 4.470 0.002 0.000 0.303 40 S C -0.575 173.958 174.600 -0.112 0.000 1.099 40 S CA -0.800 57.362 58.200 -0.062 0.000 1.077 40 S CB 1.607 64.803 63.200 -0.007 0.000 1.031 40 S HN 0.659 nan 8.310 nan 0.000 0.487 41 Q N 1.940 121.662 119.800 -0.131 0.000 2.322 41 Q HA 0.596 4.937 4.340 0.002 0.000 0.256 41 Q C -0.393 175.454 176.000 -0.255 0.000 0.960 41 Q CA -0.253 55.442 55.803 -0.180 0.000 0.934 41 Q CB 1.272 29.938 28.738 -0.120 0.000 1.200 41 Q HN 0.715 nan 8.270 nan 0.000 0.435 42 A N 2.203 124.731 122.820 -0.487 0.000 2.337 42 A HA 0.826 5.147 4.320 0.002 0.000 0.331 42 A C -0.698 176.587 177.584 -0.499 0.000 1.137 42 A CA -0.629 51.069 52.037 -0.565 0.000 0.807 42 A CB 1.434 19.880 19.000 -0.924 0.000 1.250 42 A HN 0.426 nan 8.150 nan 0.000 0.468 43 V N 1.584 121.395 119.914 -0.172 0.000 2.623 43 V HA 0.425 4.547 4.120 0.002 0.000 0.304 43 V C 0.028 176.177 176.094 0.092 0.000 1.054 43 V CA -0.638 61.631 62.300 -0.053 0.000 0.882 43 V CB 1.670 33.475 31.823 -0.030 0.000 1.002 43 V HN 0.993 nan 8.190 nan 0.000 0.424 44 R N 2.716 123.217 120.500 0.003 0.000 2.340 44 R HA 0.370 4.712 4.340 0.002 0.000 0.300 44 R C 0.450 176.595 176.300 -0.258 0.000 1.069 44 R CA -0.135 55.802 56.100 -0.272 0.000 0.984 44 R CB 0.437 30.551 30.300 -0.310 0.000 1.003 44 R HN 0.861 nan 8.270 nan 0.000 0.459 45 H N 1.985 120.883 119.070 -0.287 0.000 2.681 45 H HA 0.126 4.683 4.556 0.002 0.000 0.268 45 H C 0.984 176.214 175.328 -0.163 0.000 0.967 45 H CA 0.442 56.392 56.048 -0.163 0.000 1.233 45 H CB 1.063 30.762 29.762 -0.105 0.000 1.445 45 H HN 0.739 nan 8.280 nan 0.000 0.494 46 G N 0.740 109.466 108.800 -0.125 0.000 2.494 46 G HA2 0.404 4.365 3.960 0.002 0.000 0.270 46 G HA3 0.404 4.365 3.960 0.002 0.000 0.270 46 G C -0.190 174.648 174.900 -0.104 0.000 1.423 46 G CA 0.050 45.087 45.100 -0.105 0.000 1.055 46 G HN 0.311 nan 8.290 nan 0.000 0.536 47 A N -0.632 122.151 122.820 -0.061 0.000 2.511 47 A HA 0.397 4.718 4.320 0.002 0.000 0.242 47 A C 1.866 179.432 177.584 -0.031 0.000 1.069 47 A CA 0.721 52.739 52.037 -0.032 0.000 0.763 47 A CB 0.182 19.179 19.000 -0.006 0.000 1.001 47 A HN 1.501 nan 8.150 nan 0.000 0.498 48 S N 1.073 116.764 115.700 -0.014 0.000 2.440 48 S HA -0.194 4.277 4.470 0.002 0.000 0.240 48 S C 0.869 175.495 174.600 0.044 0.000 1.014 48 S CA 1.507 59.713 58.200 0.009 0.000 0.980 48 S CB -0.350 62.858 63.200 0.013 0.000 0.775 48 S HN 0.848 nan 8.310 nan 0.000 0.499 49 D N 1.398 121.824 120.400 0.043 0.000 2.340 49 D HA 0.363 5.004 4.640 0.002 0.000 0.217 49 D C 0.426 176.778 176.300 0.087 0.000 1.081 49 D CA 0.122 54.159 54.000 0.062 0.000 0.842 49 D CB -0.242 40.584 40.800 0.044 0.000 0.934 49 D HN 0.509 nan 8.370 nan 0.000 0.511 50 A N 1.991 124.869 122.820 0.097 0.000 2.409 50 A HA 0.496 4.818 4.320 0.002 0.000 0.262 50 A C -2.210 175.537 177.584 0.273 0.000 1.113 50 A CA -0.994 51.129 52.037 0.143 0.000 0.790 50 A CB 0.266 19.325 19.000 0.099 0.000 1.046 50 A HN 0.105 nan 8.150 nan 0.000 0.496 51 P HA 0.344 nan 4.420 nan 0.000 0.278 51 P C -0.765 176.645 177.300 0.182 0.000 1.258 51 P CA -0.594 62.613 63.100 0.178 0.000 0.811 51 P CB 0.890 32.651 31.700 0.102 0.000 1.063 52 L N 2.438 123.577 121.223 -0.139 0.000 2.281 52 L HA 0.313 4.654 4.340 0.002 0.000 0.285 52 L C 0.098 176.889 176.870 -0.132 0.000 1.074 52 L CA 0.036 54.641 54.840 -0.391 0.000 0.817 52 L CB -0.057 41.542 42.059 -0.766 0.000 1.168 52 L HN 0.240 nan 8.230 nan 0.000 0.434 53 R N 6.534 127.013 120.500 -0.035 0.000 2.275 53 R HA 0.502 4.843 4.340 0.002 0.000 0.326 53 R C -1.212 175.095 176.300 0.012 0.000 0.973 53 R CA -0.600 55.504 56.100 0.006 0.000 0.854 53 R CB 0.851 31.183 30.300 0.053 0.000 1.156 53 R HN 0.623 nan 8.270 nan 0.000 0.487 54 L N 2.987 124.216 121.223 0.009 0.000 2.309 54 L HA 0.341 4.682 4.340 0.002 0.000 0.282 54 L C 0.204 177.187 176.870 0.188 0.000 1.036 54 L CA -0.938 53.949 54.840 0.077 0.000 0.806 54 L CB 1.124 43.224 42.059 0.068 0.000 1.220 54 L HN 0.465 nan 8.230 nan 0.000 0.429 55 N N 2.206 121.029 118.700 0.205 0.000 2.520 55 N HA 0.470 5.211 4.740 0.002 0.000 0.273 55 N C -0.101 175.532 175.510 0.204 0.000 1.155 55 N CA -0.031 53.141 53.050 0.202 0.000 0.967 55 N CB 1.852 40.445 38.487 0.177 0.000 1.092 55 N HN 0.798 nan 8.380 nan 0.000 0.457 56 G N 0.617 109.474 108.800 0.096 0.000 2.759 56 G HA2 0.359 4.320 3.960 0.002 0.000 0.297 56 G HA3 0.359 4.320 3.960 0.002 0.000 0.297 56 G C -1.393 173.338 174.900 -0.281 0.000 1.434 56 G CA -0.482 44.435 45.100 -0.304 0.000 0.980 56 G HN 0.306 nan 8.290 nan 0.000 0.531 57 E N 1.743 121.671 120.200 -0.453 0.000 2.263 57 E HA 0.315 4.666 4.350 0.002 0.000 0.268 57 E C -0.965 175.405 176.600 -0.383 0.000 0.884 57 E CA -0.595 55.531 56.400 -0.458 0.000 0.766 57 E CB 2.104 31.289 29.700 -0.860 0.000 1.196 57 E HN 0.594 nan 8.360 nan 0.000 0.416 58 D N 1.810 122.093 120.400 -0.194 0.000 2.689 58 D HA -0.194 4.447 4.640 0.002 0.000 0.237 58 D C -0.449 175.777 176.300 -0.124 0.000 1.148 58 D CA 0.928 54.869 54.000 -0.100 0.000 0.656 58 D CB -1.071 39.717 40.800 -0.020 0.000 1.050 58 D HN 0.324 nan 8.370 nan 0.000 0.426 59 L N -0.331 120.783 121.223 -0.181 0.000 2.334 59 L HA 0.401 4.742 4.340 0.002 0.000 0.276 59 L C 0.802 177.626 176.870 -0.076 0.000 1.014 59 L CA -0.851 53.869 54.840 -0.200 0.000 0.815 59 L CB 2.062 43.843 42.059 -0.462 0.000 1.268 59 L HN -0.171 nan 8.230 nan 0.000 0.428 60 K N 3.231 123.605 120.400 -0.043 0.000 2.299 60 K HA 0.314 4.635 4.320 0.002 0.000 0.268 60 K C -0.833 175.780 176.600 0.021 0.000 1.075 60 K CA -0.786 55.506 56.287 0.007 0.000 0.936 60 K CB 0.909 33.413 32.500 0.006 0.000 1.228 60 K HN 0.372 nan 8.250 nan 0.000 0.454 61 L N 5.527 126.791 121.223 0.070 0.000 2.455 61 L HA 0.034 4.375 4.340 0.002 0.000 0.272 61 L C 0.340 177.217 176.870 0.011 0.000 1.174 61 L CA 0.567 55.438 54.840 0.052 0.000 0.869 61 L CB 1.353 43.425 42.059 0.020 0.000 1.130 61 L HN 0.600 nan 8.230 nan 0.000 0.474 62 V N 2.632 122.540 119.914 -0.010 0.000 2.690 62 V HA 0.293 4.414 4.120 0.002 0.000 0.240 62 V C 0.556 176.653 176.094 0.006 0.000 1.078 62 V CA 1.046 63.349 62.300 0.005 0.000 1.102 62 V CB 0.229 32.053 31.823 0.001 0.000 0.800 62 V HN 0.938 nan 8.190 nan 0.000 0.479 63 S N -1.343 114.344 115.700 -0.022 0.000 2.567 63 S HA 0.694 5.165 4.470 0.002 0.000 0.270 63 S C -1.421 173.142 174.600 -0.063 0.000 1.152 63 S CA -0.630 57.567 58.200 -0.004 0.000 0.835 63 S CB 2.246 65.533 63.200 0.145 0.000 1.115 63 S HN -0.037 nan 8.310 nan 0.000 0.459 64 V N 2.957 122.796 119.914 -0.126 0.000 2.525 64 V HA 0.567 4.688 4.120 0.002 0.000 0.299 64 V C -0.857 175.197 176.094 -0.067 0.000 1.034 64 V CA -0.379 61.822 62.300 -0.166 0.000 0.863 64 V CB 1.343 32.874 31.823 -0.487 0.000 0.999 64 V HN 0.985 nan 8.190 nan 0.000 0.423 65 H N 4.949 123.996 119.070 -0.038 0.000 2.690 65 H HA 0.593 5.150 4.556 0.002 0.000 0.368 65 H C -1.266 174.027 175.328 -0.059 0.000 1.150 65 H CA -0.790 55.272 56.048 0.024 0.000 1.174 65 H CB 2.979 32.753 29.762 0.021 0.000 1.684 65 H HN 0.342 nan 8.280 nan 0.000 0.538 66 I N 2.712 123.310 120.570 0.046 0.000 2.410 66 I HA 0.033 4.204 4.170 0.002 0.000 0.286 66 I C 0.166 176.294 176.117 0.017 0.000 1.009 66 I CA -0.684 60.514 61.300 -0.169 0.000 1.111 66 I CB 1.114 38.595 38.000 -0.865 0.000 1.262 66 I HN 0.691 nan 8.210 nan 0.000 0.443 67 N N 5.260 123.995 118.700 0.058 0.000 2.716 67 N HA -0.221 4.520 4.740 0.002 0.000 0.250 67 N C 0.181 175.753 175.510 0.104 0.000 1.033 67 N CA 1.168 54.267 53.050 0.081 0.000 0.727 67 N CB -0.731 37.807 38.487 0.086 0.000 0.950 67 N HN 0.693 nan 8.380 nan 0.000 0.541 68 D N -2.376 118.098 120.400 0.124 0.000 2.978 68 D HA -0.230 4.411 4.640 0.002 0.000 0.205 68 D C 0.175 176.656 176.300 0.302 0.000 1.093 68 D CA 1.699 55.795 54.000 0.161 0.000 1.006 68 D CB -0.756 40.086 40.800 0.070 0.000 1.116 68 D HN 0.760 nan 8.370 nan 0.000 0.419 69 E N 1.292 121.652 120.200 0.266 0.000 2.194 69 E HA 0.382 4.733 4.350 0.002 0.000 0.284 69 E C -2.659 174.048 176.600 0.179 0.000 1.035 69 E CA -1.960 54.586 56.400 0.244 0.000 0.836 69 E CB 1.020 30.874 29.700 0.256 0.000 1.070 69 E HN -0.122 nan 8.360 nan 0.000 0.401 70 P HA -0.059 nan 4.420 nan 0.000 0.261 70 P C -1.015 176.308 177.300 0.040 0.000 1.183 70 P CA 0.225 63.135 63.100 -0.316 0.000 0.761 70 P CB 0.237 31.807 31.700 -0.216 0.000 0.785 71 W N 3.840 125.067 121.300 -0.122 0.000 2.390 71 W HA 0.153 4.814 4.660 0.002 0.000 0.312 71 W C 0.686 177.327 176.519 0.204 0.000 1.123 71 W CA -0.308 57.058 57.345 0.035 0.000 1.202 71 W CB 1.625 31.105 29.460 0.034 0.000 1.251 71 W HN 0.376 nan 8.180 nan 0.000 0.511 72 T N 0.892 115.248 114.554 -0.329 0.000 2.990 72 T HA 0.181 4.532 4.350 0.002 0.000 0.250 72 T C 0.788 175.234 174.700 -0.423 0.000 1.041 72 T CA 0.147 62.061 62.100 -0.309 0.000 1.010 72 T CB 0.342 69.009 68.868 -0.336 0.000 1.003 72 T HN 0.386 nan 8.240 nan 0.000 0.499 73 A N 2.812 125.308 122.820 -0.539 0.000 3.078 73 A HA 0.566 4.887 4.320 0.002 0.000 0.279 73 A C -0.091 177.634 177.584 0.234 0.000 1.594 73 A CA -1.086 50.815 52.037 -0.227 0.000 1.301 73 A CB -0.988 17.867 19.000 -0.242 0.000 1.162 73 A HN 0.700 nan 8.150 nan 0.000 0.585 74 W N 0.556 121.877 121.300 0.034 0.000 3.074 74 W HA 0.690 5.351 4.660 0.002 0.000 0.332 74 W C -1.395 175.112 176.519 -0.019 0.000 1.253 74 W CA -1.042 56.329 57.345 0.043 0.000 1.180 74 W CB 0.718 30.220 29.460 0.070 0.000 1.445 74 W HN 0.394 nan 8.180 nan 0.000 0.573 75 K N 0.485 121.060 120.400 0.291 0.000 2.527 75 K HA 0.537 4.858 4.320 0.002 0.000 0.260 75 K C -1.189 175.597 176.600 0.311 0.000 0.937 75 K CA -0.813 55.571 56.287 0.161 0.000 0.826 75 K CB 3.177 35.674 32.500 -0.005 0.000 1.359 75 K HN 0.437 nan 8.250 nan 0.000 0.434 76 E N 1.854 122.237 120.200 0.305 0.000 2.249 76 E HA 0.129 4.480 4.350 0.002 0.000 0.280 76 E C -0.676 175.995 176.600 0.119 0.000 1.016 76 E CA -0.564 55.949 56.400 0.189 0.000 0.830 76 E CB 1.366 31.202 29.700 0.226 0.000 1.081 76 E HN 0.623 nan 8.360 nan 0.000 0.395 77 E N 1.810 122.069 120.200 0.098 0.000 2.442 77 E HA 0.278 4.629 4.350 0.002 0.000 0.261 77 E C -0.742 175.910 176.600 0.086 0.000 0.935 77 E CA -1.019 55.429 56.400 0.080 0.000 0.856 77 E CB 0.484 30.221 29.700 0.061 0.000 1.571 77 E HN 0.144 nan 8.360 nan 0.000 0.431 78 E N 0.175 120.415 120.200 0.066 0.000 2.614 78 E HA 0.148 4.499 4.350 0.002 0.000 0.245 78 E C 0.709 177.350 176.600 0.069 0.000 1.039 78 E CA 1.683 58.118 56.400 0.059 0.000 0.948 78 E CB -0.436 29.289 29.700 0.042 0.000 0.937 78 E HN 0.801 nan 8.360 nan 0.000 0.498 79 G N 2.604 111.448 108.800 0.073 0.000 2.155 79 G HA2 -0.128 3.833 3.960 0.002 0.000 0.257 79 G HA3 -0.128 3.833 3.960 0.002 0.000 0.257 79 G C 0.183 175.164 174.900 0.134 0.000 0.983 79 G CA 0.386 45.529 45.100 0.071 0.000 0.676 79 G HN 1.079 nan 8.290 nan 0.000 0.528 80 A N -1.365 121.563 122.820 0.181 0.000 2.594 80 A HA 0.860 5.181 4.320 0.002 0.000 0.295 80 A C -1.245 176.397 177.584 0.096 0.000 1.071 80 A CA -0.307 51.839 52.037 0.182 0.000 0.685 80 A CB 1.797 20.860 19.000 0.105 0.000 1.285 80 A HN 1.587 nan 8.150 nan 0.000 0.405 81 L N 1.709 122.874 121.223 -0.096 0.000 2.349 81 L HA 0.733 5.074 4.340 0.002 0.000 0.278 81 L C -1.303 175.489 176.870 -0.131 0.000 0.996 81 L CA -0.392 54.245 54.840 -0.340 0.000 0.825 81 L CB 1.663 43.087 42.059 -1.058 0.000 1.243 81 L HN 0.444 nan 8.230 nan 0.000 0.412 82 V N 6.901 126.810 119.914 -0.008 0.000 2.357 82 V HA 0.489 4.610 4.120 0.002 0.000 0.284 82 V C 0.076 176.220 176.094 0.083 0.000 1.018 82 V CA -0.360 61.958 62.300 0.030 0.000 0.841 82 V CB 1.283 33.140 31.823 0.056 0.000 0.991 82 V HN 0.604 nan 8.190 nan 0.000 0.437 83 I N 3.705 124.288 120.570 0.023 0.000 2.362 83 I HA 0.470 4.641 4.170 0.002 0.000 0.289 83 I C 0.273 176.430 176.117 0.066 0.000 0.994 83 I CA 0.028 61.369 61.300 0.067 0.000 1.158 83 I CB 1.881 39.801 38.000 -0.132 0.000 1.315 83 I HN 0.511 nan 8.210 nan 0.000 0.451 84 S N 4.439 120.270 115.700 0.218 0.000 2.681 84 S HA 0.399 4.870 4.470 0.002 0.000 0.299 84 S C 0.148 174.919 174.600 0.285 0.000 1.113 84 S CA -0.535 57.778 58.200 0.189 0.000 1.013 84 S CB 1.035 64.317 63.200 0.137 0.000 1.076 84 S HN 0.769 nan 8.310 nan 0.000 0.534 85 N N 0.455 119.272 118.700 0.195 0.000 2.780 85 N HA -0.136 4.605 4.740 0.002 0.000 0.247 85 N C -1.202 174.460 175.510 0.254 0.000 1.076 85 N CA 0.411 53.587 53.050 0.211 0.000 0.688 85 N CB -1.717 36.878 38.487 0.181 0.000 0.957 85 N HN 0.456 nan 8.380 nan 0.000 0.551 86 L N 0.507 121.776 121.223 0.077 0.000 2.360 86 L HA 0.577 4.918 4.340 0.002 0.000 0.271 86 L C -1.255 175.603 176.870 -0.020 0.000 1.057 86 L CA -1.526 53.202 54.840 -0.188 0.000 0.803 86 L CB 0.717 42.455 42.059 -0.536 0.000 1.207 86 L HN -0.047 nan 8.230 nan 0.000 0.445 87 P HA 0.042 nan 4.420 nan 0.000 0.277 87 P C 0.132 177.595 177.300 0.271 0.000 1.276 87 P CA -0.409 62.766 63.100 0.124 0.000 0.788 87 P CB 0.708 32.486 31.700 0.130 0.000 1.114 88 E N -0.381 119.936 120.200 0.194 0.000 2.150 88 E HA -0.111 4.240 4.350 0.002 0.000 0.193 88 E C 0.071 176.778 176.600 0.178 0.000 0.985 88 E CA 0.820 57.314 56.400 0.156 0.000 0.814 88 E CB 0.237 29.966 29.700 0.049 0.000 0.752 88 E HN 0.308 nan 8.360 nan 0.000 0.466 89 R N -0.595 120.017 120.500 0.188 0.000 2.628 89 R HA 0.441 4.782 4.340 0.002 0.000 0.288 89 R C -1.290 175.112 176.300 0.170 0.000 0.980 89 R CA -0.615 55.517 56.100 0.053 0.000 0.891 89 R CB 1.603 31.897 30.300 -0.010 0.000 1.188 89 R HN 0.004 nan 8.270 nan 0.000 0.450 90 F N -2.469 117.468 119.950 -0.021 0.000 2.770 90 F HA 0.424 4.952 4.527 0.002 0.000 0.313 90 F C -1.178 174.582 175.800 -0.068 0.000 1.154 90 F CA -1.091 56.875 58.000 -0.057 0.000 0.923 90 F CB 1.381 40.313 39.000 -0.113 0.000 1.301 90 F HN 0.155 nan 8.300 nan 0.000 0.449 91 T N 3.305 117.930 114.554 0.119 0.000 2.733 91 T HA 0.516 4.867 4.350 0.002 0.000 0.294 91 T C -0.846 173.931 174.700 0.128 0.000 0.956 91 T CA -0.286 61.837 62.100 0.039 0.000 0.987 91 T CB 0.921 69.799 68.868 0.016 0.000 0.920 91 T HN 0.704 nan 8.240 nan 0.000 0.470 92 L N 4.002 125.280 121.223 0.091 0.000 2.276 92 L HA 0.573 4.914 4.340 0.002 0.000 0.286 92 L C -0.067 176.808 176.870 0.008 0.000 1.061 92 L CA -0.170 54.713 54.840 0.072 0.000 0.807 92 L CB 0.655 42.761 42.059 0.079 0.000 1.177 92 L HN 0.480 nan 8.230 nan 0.000 0.429 93 K N 6.037 126.440 120.400 0.006 0.000 2.413 93 K HA 0.550 4.871 4.320 0.002 0.000 0.257 93 K C -1.537 175.058 176.600 -0.009 0.000 0.946 93 K CA -0.631 55.648 56.287 -0.014 0.000 0.823 93 K CB 0.931 33.405 32.500 -0.044 0.000 1.109 93 K HN 0.578 nan 8.250 nan 0.000 0.427 94 I N 6.113 126.662 120.570 -0.035 0.000 2.433 94 I HA 0.396 4.567 4.170 0.002 0.000 0.292 94 I C -0.201 175.881 176.117 -0.058 0.000 1.001 94 I CA -0.840 60.435 61.300 -0.042 0.000 1.119 94 I CB 1.610 39.602 38.000 -0.014 0.000 1.289 94 I HN 0.645 nan 8.210 nan 0.000 0.438 95 I N 7.054 127.595 120.570 -0.048 0.000 2.433 95 I HA 0.401 4.572 4.170 0.002 0.000 0.292 95 I C -0.268 175.816 176.117 -0.055 0.000 1.001 95 I CA -0.478 60.782 61.300 -0.066 0.000 1.119 95 I CB 1.772 39.743 38.000 -0.048 0.000 1.289 95 I HN 0.626 nan 8.210 nan 0.000 0.438 96 N N 4.566 123.218 118.700 -0.081 0.000 2.708 96 N HA 0.443 5.184 4.740 0.002 0.000 0.257 96 N C -1.549 173.912 175.510 -0.082 0.000 1.373 96 N CA -0.906 52.103 53.050 -0.068 0.000 0.843 96 N CB 2.352 40.792 38.487 -0.077 0.000 1.503 96 N HN 0.473 nan 8.380 nan 0.000 0.504 97 E N 0.594 120.760 120.200 -0.057 0.000 2.207 97 E HA 0.634 4.985 4.350 0.002 0.000 0.270 97 E C -0.411 176.162 176.600 -0.045 0.000 0.927 97 E CA -0.883 55.492 56.400 -0.042 0.000 0.799 97 E CB 2.530 32.220 29.700 -0.016 0.000 1.172 97 E HN 0.569 nan 8.360 nan 0.000 0.404 98 I N -2.280 118.277 120.570 -0.023 0.000 3.174 98 I HA 0.636 4.807 4.170 0.002 0.000 0.313 98 I C -0.745 175.383 176.117 0.019 0.000 1.155 98 I CA -0.898 60.398 61.300 -0.008 0.000 0.977 98 I CB 2.383 40.380 38.000 -0.005 0.000 1.248 98 I HN 0.329 nan 8.210 nan 0.000 0.453 99 S N 2.452 118.169 115.700 0.028 0.000 2.395 99 S HA 0.504 4.976 4.470 0.002 0.000 0.207 99 S C -2.071 172.556 174.600 0.045 0.000 1.454 99 S CA -1.275 56.945 58.200 0.034 0.000 1.211 99 S CB 0.727 63.943 63.200 0.027 0.000 1.093 99 S HN 0.552 nan 8.310 nan 0.000 0.472 100 P HA -0.093 nan 4.420 nan 0.000 0.216 100 P C 1.425 178.763 177.300 0.063 0.000 1.150 100 P CA 1.327 64.467 63.100 0.067 0.000 0.843 100 P CB 0.154 31.882 31.700 0.048 0.000 0.787 101 A N -0.184 122.662 122.820 0.044 0.000 2.019 101 A HA -0.051 4.270 4.320 0.002 0.000 0.219 101 A C 2.179 179.773 177.584 0.017 0.000 1.164 101 A CA 1.797 53.851 52.037 0.028 0.000 0.644 101 A CB -1.394 17.622 19.000 0.026 0.000 0.805 101 A HN 0.222 nan 8.150 nan 0.000 0.449 102 A N -0.597 122.236 122.820 0.021 0.000 2.238 102 A HA 0.071 4.392 4.320 0.002 0.000 0.208 102 A C 1.027 178.615 177.584 0.006 0.000 1.177 102 A CA 0.216 52.260 52.037 0.012 0.000 0.804 102 A CB -0.380 18.629 19.000 0.015 0.000 0.823 102 A HN 0.379 nan 8.150 nan 0.000 0.482 103 N N 1.319 120.029 118.700 0.017 0.000 2.663 103 N HA 0.046 4.787 4.740 0.002 0.000 0.250 103 N C 1.047 176.526 175.510 -0.052 0.000 1.129 103 N CA 0.810 53.860 53.050 -0.000 0.000 0.995 103 N CB 0.574 39.093 38.487 0.053 0.000 1.324 103 N HN 0.349 nan 8.380 nan 0.000 0.512 104 T N -0.927 113.585 114.554 -0.071 0.000 3.081 104 T HA 0.121 4.472 4.350 0.002 0.000 0.255 104 T C 1.554 176.162 174.700 -0.152 0.000 1.113 104 T CA 0.475 62.517 62.100 -0.096 0.000 1.082 104 T CB 0.135 68.966 68.868 -0.062 0.000 0.939 104 T HN 0.255 nan 8.240 nan 0.000 0.506 105 A N 1.863 124.579 122.820 -0.173 0.000 2.119 105 A HA 0.436 4.757 4.320 0.002 0.000 0.216 105 A C 1.439 178.810 177.584 -0.356 0.000 1.152 105 A CA 0.438 52.343 52.037 -0.220 0.000 0.708 105 A CB -0.752 18.132 19.000 -0.194 0.000 0.805 105 A HN 0.713 nan 8.150 nan 0.000 0.460 106 L N -1.192 119.727 121.223 -0.506 0.000 3.608 106 L HA -0.218 4.123 4.340 0.002 0.000 0.422 106 L C -0.188 176.260 176.870 -0.703 0.000 1.260 106 L CA 0.763 54.963 54.840 -1.066 0.000 0.889 106 L CB -2.383 39.028 42.059 -1.081 0.000 1.821 106 L HN 0.827 nan 8.230 nan 0.000 0.884 107 E N -0.495 119.470 120.200 -0.392 0.000 2.256 107 E HA 0.725 5.076 4.350 0.002 0.000 0.268 107 E C 0.556 177.066 176.600 -0.150 0.000 0.877 107 E CA -0.243 55.996 56.400 -0.268 0.000 0.757 107 E CB 2.576 32.039 29.700 -0.394 0.000 1.183 107 E HN 0.269 nan 8.360 nan 0.000 0.418 108 G N 1.776 110.594 108.800 0.029 0.000 2.475 108 G HA2 -0.198 3.763 3.960 0.002 0.000 0.223 108 G HA3 -0.198 3.763 3.960 0.002 0.000 0.223 108 G C -1.254 173.777 174.900 0.218 0.000 1.201 108 G CA -0.329 44.850 45.100 0.131 0.000 0.962 108 G HN 0.727 nan 8.290 nan 0.000 0.586 109 L N 2.036 123.367 121.223 0.179 0.000 2.264 109 L HA 0.803 5.144 4.340 0.002 0.000 0.289 109 L C 0.023 176.998 176.870 0.174 0.000 1.044 109 L CA -0.764 54.154 54.840 0.130 0.000 0.807 109 L CB 0.204 42.326 42.059 0.105 0.000 1.192 109 L HN 1.085 nan 8.230 nan 0.000 0.425 110 Y N 1.791 122.094 120.300 0.005 0.000 2.715 110 Y HA 0.650 5.201 4.550 0.002 0.000 0.331 110 Y C -0.921 174.977 175.900 -0.003 0.000 1.197 110 Y CA -1.274 56.821 58.100 -0.007 0.000 1.079 110 Y CB 0.983 39.431 38.460 -0.020 0.000 1.298 110 Y HN 0.590 nan 8.280 nan 0.000 0.477 111 Q N 1.323 121.219 119.800 0.159 0.000 2.290 111 Q HA 0.493 4.834 4.340 0.002 0.000 0.259 111 Q C -1.285 174.741 176.000 0.044 0.000 0.941 111 Q CA -0.712 55.106 55.803 0.026 0.000 0.912 111 Q CB 1.539 30.283 28.738 0.011 0.000 1.244 111 Q HN 0.726 nan 8.270 nan 0.000 0.441 112 S N 3.275 118.974 115.700 -0.001 0.000 2.622 112 S HA 0.611 5.082 4.470 0.002 0.000 0.283 112 S C 0.342 175.005 174.600 0.105 0.000 1.197 112 S CA 0.417 58.685 58.200 0.114 0.000 1.146 112 S CB 0.144 63.527 63.200 0.304 0.000 1.007 112 S HN 1.048 nan 8.310 nan 0.000 0.478 113 G N 4.927 113.680 108.800 -0.079 0.000 2.596 113 G HA2 -0.292 3.669 3.960 0.002 0.000 0.304 113 G HA3 -0.292 3.669 3.960 0.002 0.000 0.304 113 G C 0.271 175.172 174.900 0.002 0.000 1.189 113 G CA 0.661 45.785 45.100 0.041 0.000 0.986 113 G HN 0.622 nan 8.290 nan 0.000 0.548 114 D N 1.982 122.395 120.400 0.023 0.000 2.350 114 D HA 0.452 5.094 4.640 0.002 0.000 0.213 114 D C 1.413 177.747 176.300 0.056 0.000 1.031 114 D CA 0.964 54.963 54.000 -0.001 0.000 0.861 114 D CB 0.073 40.837 40.800 -0.060 0.000 0.926 114 D HN 0.789 nan 8.370 nan 0.000 0.520 115 A N 0.587 123.452 122.820 0.075 0.000 2.322 115 A HA 0.558 4.879 4.320 0.002 0.000 0.269 115 A C -0.095 177.552 177.584 0.106 0.000 1.094 115 A CA -0.322 51.798 52.037 0.139 0.000 0.807 115 A CB 0.561 19.676 19.000 0.192 0.000 1.047 115 A HN 0.117 nan 8.150 nan 0.000 0.487 116 L N 1.144 122.409 121.223 0.071 0.000 2.317 116 L HA 0.606 4.947 4.340 0.002 0.000 0.281 116 L C -0.153 176.612 176.870 -0.175 0.000 1.024 116 L CA -0.528 54.252 54.840 -0.099 0.000 0.810 116 L CB 1.364 43.309 42.059 -0.189 0.000 1.240 116 L HN 1.005 nan 8.230 nan 0.000 0.427 117 C N -0.377 118.719 119.300 -0.340 0.000 3.318 117 C HA 0.881 5.343 4.460 0.002 0.000 0.322 117 C C 0.041 174.775 174.990 -0.426 0.000 1.398 117 C CA -0.700 58.097 59.018 -0.368 0.000 1.339 117 C CB 1.481 29.030 27.740 -0.317 0.000 1.668 117 C HN 0.858 nan 8.230 nan 0.000 0.462 118 T N -0.632 113.787 114.554 -0.225 0.000 2.912 118 T HA 0.732 5.083 4.350 0.002 0.000 0.288 118 T C -0.966 173.819 174.700 0.141 0.000 1.030 118 T CA -0.159 61.928 62.100 -0.023 0.000 1.020 118 T CB 1.780 70.665 68.868 0.027 0.000 1.056 118 T HN 1.159 nan 8.240 nan 0.000 0.480 119 Q N 0.508 120.463 119.800 0.259 0.000 2.275 119 Q HA 0.516 4.857 4.340 0.002 0.000 0.266 119 Q C -0.687 175.401 176.000 0.148 0.000 1.002 119 Q CA -0.656 55.266 55.803 0.199 0.000 0.761 119 Q CB 0.930 29.740 28.738 0.119 0.000 1.255 119 Q HN 0.840 nan 8.270 nan 0.000 0.446 120 C N 2.536 121.944 119.300 0.181 0.000 2.935 120 C HA 0.298 4.759 4.460 0.002 0.000 0.308 120 C C 0.717 175.838 174.990 0.218 0.000 1.263 120 C CA -0.143 59.030 59.018 0.258 0.000 1.738 120 C CB -0.024 27.951 27.740 0.393 0.000 2.237 120 C HN 0.844 nan 8.230 nan 0.000 0.600 121 E N 0.862 121.158 120.200 0.159 0.000 2.354 121 E HA 0.371 4.722 4.350 0.002 0.000 0.269 121 E C 0.818 177.255 176.600 -0.270 0.000 1.036 121 E CA 0.172 56.575 56.400 0.006 0.000 0.876 121 E CB 1.057 30.774 29.700 0.029 0.000 1.009 121 E HN 0.392 nan 8.360 nan 0.000 0.416 122 A N 4.549 127.091 122.820 -0.462 0.000 1.874 122 A HA -0.054 4.267 4.320 0.002 0.000 0.214 122 A C 0.872 178.337 177.584 -0.198 0.000 1.189 122 A CA 0.939 52.532 52.037 -0.741 0.000 0.615 122 A CB 0.090 18.368 19.000 -1.204 0.000 0.830 122 A HN 0.742 nan 8.150 nan 0.000 0.443 123 E N -0.806 119.348 120.200 -0.076 0.000 3.646 123 E HA 0.280 4.632 4.350 0.002 0.000 0.211 123 E C 0.834 177.570 176.600 0.227 0.000 1.034 123 E CA 0.125 56.618 56.400 0.156 0.000 1.341 123 E CB 0.615 30.395 29.700 0.134 0.000 1.202 123 E HN 0.471 nan 8.360 nan 0.000 0.447 124 G N 0.184 109.111 108.800 0.212 0.000 2.603 124 G HA2 -0.169 3.792 3.960 0.002 0.000 0.214 124 G HA3 -0.169 3.792 3.960 0.002 0.000 0.214 124 G C 1.091 176.189 174.900 0.330 0.000 1.140 124 G CA -0.147 45.077 45.100 0.207 0.000 0.800 124 G HN 0.308 nan 8.290 nan 0.000 0.533 125 F N 2.811 122.896 119.950 0.226 0.000 2.216 125 F HA -0.044 4.485 4.527 0.002 0.000 0.300 125 F C 2.773 178.660 175.800 0.145 0.000 1.085 125 F CA 1.390 59.501 58.000 0.185 0.000 1.326 125 F CB 0.095 39.198 39.000 0.172 0.000 1.027 125 F HN 0.200 nan 8.300 nan 0.000 0.497 126 R N -0.783 119.852 120.500 0.225 0.000 2.285 126 R HA -0.134 4.207 4.340 0.002 0.000 0.213 126 R C 1.224 177.412 176.300 -0.188 0.000 1.068 126 R CA 1.638 57.752 56.100 0.023 0.000 1.004 126 R CB -1.270 29.079 30.300 0.081 0.000 0.873 126 R HN 0.425 nan 8.270 nan 0.000 0.467 127 H N -0.042 118.969 119.070 -0.099 0.000 2.547 127 H HA 0.170 4.727 4.556 0.002 0.000 0.266 127 H C 1.451 176.680 175.328 -0.165 0.000 0.988 127 H CA 0.702 56.681 56.048 -0.115 0.000 1.147 127 H CB 0.401 30.137 29.762 -0.044 0.000 1.365 127 H HN 0.310 nan 8.280 nan 0.000 0.589 128 I N -0.950 119.502 120.570 -0.198 0.000 3.194 128 I HA 0.009 4.180 4.170 0.002 0.000 0.271 128 I C 0.857 176.719 176.117 -0.425 0.000 1.150 128 I CA 0.476 61.606 61.300 -0.284 0.000 1.440 128 I CB 0.929 38.705 38.000 -0.374 0.000 1.276 128 I HN -0.054 nan 8.210 nan 0.000 0.457 129 T N -1.520 112.689 114.554 -0.575 0.000 2.792 129 T HA 0.393 4.744 4.350 0.002 0.000 0.303 129 T C -1.756 172.777 174.700 -0.279 0.000 1.310 129 T CA -0.414 61.432 62.100 -0.423 0.000 1.007 129 T CB 0.870 69.510 68.868 -0.381 0.000 1.335 129 T HN -0.117 nan 8.240 nan 0.000 0.504 130 Y N 2.175 122.428 120.300 -0.078 0.000 2.537 130 Y HA 0.527 5.078 4.550 0.002 0.000 0.339 130 Y C -0.188 175.810 175.900 0.162 0.000 1.066 130 Y CA 0.381 58.485 58.100 0.006 0.000 1.357 130 Y CB 0.180 38.609 38.460 -0.052 0.000 1.175 130 Y HN 0.542 nan 8.280 nan 0.000 0.525 131 Y N 1.417 121.836 120.300 0.198 0.000 2.670 131 Y HA 0.440 4.991 4.550 0.002 0.000 0.334 131 Y C -1.243 174.773 175.900 0.194 0.000 1.185 131 Y CA -1.719 56.511 58.100 0.215 0.000 1.053 131 Y CB 1.248 39.952 38.460 0.407 0.000 1.298 131 Y HN 0.339 nan 8.280 nan 0.000 0.459 132 L N 3.495 124.445 121.223 -0.456 0.000 2.384 132 L HA 0.156 4.497 4.340 0.002 0.000 0.258 132 L C -0.380 176.538 176.870 0.081 0.000 1.266 132 L CA 0.185 54.890 54.840 -0.225 0.000 1.162 132 L CB -0.384 41.459 42.059 -0.361 0.000 1.375 132 L HN 0.471 nan 8.230 nan 0.000 0.420 133 D N 4.524 125.105 120.400 0.302 0.000 2.619 133 D HA 0.123 4.764 4.640 0.002 0.000 0.224 133 D C 0.006 176.526 176.300 0.367 0.000 1.133 133 D CA -0.183 54.088 54.000 0.452 0.000 1.017 133 D CB 0.135 41.209 40.800 0.458 0.000 1.077 133 D HN 0.446 nan 8.370 nan 0.000 0.503 134 R N 0.866 121.545 120.500 0.298 0.000 2.566 134 R HA 0.400 4.741 4.340 0.002 0.000 0.271 134 R C -2.611 173.763 176.300 0.123 0.000 1.071 134 R CA -1.376 54.846 56.100 0.203 0.000 0.915 134 R CB 1.284 31.671 30.300 0.144 0.000 1.228 134 R HN -0.195 nan 8.270 nan 0.000 0.449 135 P HA -0.081 nan 4.420 nan 0.000 0.241 135 P C -0.160 177.128 177.300 -0.019 0.000 1.191 135 P CA 0.758 63.829 63.100 -0.049 0.000 0.771 135 P CB 0.206 31.626 31.700 -0.467 0.000 0.929 136 D N -0.651 119.747 120.400 -0.003 0.000 2.340 136 D HA 0.003 4.644 4.640 0.002 0.000 0.220 136 D C 0.325 176.648 176.300 0.039 0.000 1.039 136 D CA -0.169 53.850 54.000 0.032 0.000 0.866 136 D CB -0.498 40.358 40.800 0.093 0.000 0.913 136 D HN -0.015 nan 8.370 nan 0.000 0.523 137 V N 1.459 121.405 119.914 0.054 0.000 2.318 137 V HA 0.264 4.385 4.120 0.002 0.000 0.271 137 V C -0.421 175.734 176.094 0.102 0.000 1.030 137 V CA -0.662 61.665 62.300 0.045 0.000 0.844 137 V CB 0.927 32.753 31.823 0.005 0.000 1.015 137 V HN 0.019 nan 8.190 nan 0.000 0.460 138 L N 4.983 126.256 121.223 0.084 0.000 2.322 138 L HA 0.894 5.235 4.340 0.002 0.000 0.281 138 L C 0.194 177.140 176.870 0.126 0.000 1.014 138 L CA 0.076 54.985 54.840 0.115 0.000 0.815 138 L CB 1.801 43.907 42.059 0.077 0.000 1.247 138 L HN 0.700 nan 8.230 nan 0.000 0.421 139 A N 3.114 126.057 122.820 0.204 0.000 2.498 139 A HA 0.817 5.138 4.320 0.002 0.000 0.298 139 A C -0.762 176.956 177.584 0.223 0.000 1.075 139 A CA -0.822 51.301 52.037 0.143 0.000 0.714 139 A CB 1.292 20.322 19.000 0.050 0.000 1.299 139 A HN 0.635 nan 8.150 nan 0.000 0.407 140 R N 0.605 121.174 120.500 0.116 0.000 2.234 140 R HA 0.436 4.777 4.340 0.002 0.000 0.324 140 R C -1.485 174.907 176.300 0.153 0.000 1.054 140 R CA 0.144 56.341 56.100 0.161 0.000 0.912 140 R CB 0.381 30.721 30.300 0.067 0.000 1.030 140 R HN 0.522 nan 8.270 nan 0.000 0.455 141 F N 0.749 120.726 119.950 0.045 0.000 2.399 141 F HA 0.321 4.849 4.527 0.002 0.000 0.334 141 F C 0.705 176.572 175.800 0.111 0.000 1.097 141 F CA -0.250 57.794 58.000 0.074 0.000 1.076 141 F CB 2.002 41.071 39.000 0.116 0.000 1.162 141 F HN 0.311 nan 8.300 nan 0.000 0.495 142 T N 1.339 116.046 114.554 0.257 0.000 2.841 142 T HA 0.585 4.936 4.350 0.002 0.000 0.283 142 T C -0.736 174.154 174.700 0.317 0.000 1.000 142 T CA -0.764 61.489 62.100 0.255 0.000 0.977 142 T CB 1.549 70.506 68.868 0.149 0.000 0.979 142 T HN 0.462 nan 8.240 nan 0.000 0.446 143 T N 2.849 117.641 114.554 0.397 0.000 2.890 143 T HA 0.439 4.790 4.350 0.002 0.000 0.295 143 T C -0.566 174.401 174.700 0.445 0.000 0.993 143 T CA -0.791 61.593 62.100 0.473 0.000 0.979 143 T CB 1.336 70.556 68.868 0.586 0.000 0.967 143 T HN 0.469 nan 8.240 nan 0.000 0.441 144 K N 4.002 124.623 120.400 0.368 0.000 2.213 144 K HA 0.657 4.978 4.320 0.002 0.000 0.270 144 K C -1.051 175.767 176.600 0.362 0.000 1.002 144 K CA -0.709 55.774 56.287 0.325 0.000 0.868 144 K CB 0.668 33.256 32.500 0.147 0.000 1.093 144 K HN 0.557 nan 8.250 nan 0.000 0.454 145 I N 6.092 126.875 120.570 0.355 0.000 2.436 145 I HA 0.362 4.533 4.170 0.002 0.000 0.289 145 I C -0.604 175.655 176.117 0.238 0.000 1.010 145 I CA -0.853 60.615 61.300 0.280 0.000 1.098 145 I CB 1.704 39.821 38.000 0.193 0.000 1.266 145 I HN 0.481 nan 8.210 nan 0.000 0.434 146 I N 5.671 126.360 120.570 0.197 0.000 2.406 146 I HA 0.819 4.990 4.170 0.002 0.000 0.290 146 I C -0.065 176.148 176.117 0.160 0.000 0.999 146 I CA -0.289 61.125 61.300 0.189 0.000 1.124 146 I CB 1.828 39.913 38.000 0.141 0.000 1.289 146 I HN 0.696 nan 8.210 nan 0.000 0.441 147 A N 3.807 126.752 122.820 0.208 0.000 2.599 147 A HA 0.459 4.780 4.320 0.002 0.000 0.290 147 A C -1.445 176.371 177.584 0.387 0.000 1.101 147 A CA -0.705 51.492 52.037 0.268 0.000 0.674 147 A CB 1.324 20.456 19.000 0.221 0.000 1.277 147 A HN 0.698 nan 8.150 nan 0.000 0.419 148 D N 0.504 121.131 120.400 0.379 0.000 2.472 148 D HA 0.097 4.738 4.640 0.002 0.000 0.248 148 D C 1.095 177.527 176.300 0.220 0.000 1.174 148 D CA 0.622 54.777 54.000 0.258 0.000 0.883 148 D CB 0.688 41.591 40.800 0.171 0.000 1.149 148 D HN 0.506 nan 8.370 nan 0.000 0.488 149 K N 3.226 123.652 120.400 0.043 0.000 2.097 149 K HA -0.117 4.204 4.320 0.002 0.000 0.206 149 K C 1.710 178.191 176.600 -0.199 0.000 1.049 149 K CA 0.916 57.022 56.287 -0.301 0.000 0.933 149 K CB 0.039 32.262 32.500 -0.462 0.000 0.717 149 K HN 0.598 nan 8.250 nan 0.000 0.442 150 I N 0.626 121.119 120.570 -0.128 0.000 2.252 150 I HA -0.247 3.924 4.170 0.002 0.000 0.245 150 I C 2.469 178.488 176.117 -0.164 0.000 1.102 150 I CA 1.134 62.357 61.300 -0.128 0.000 1.385 150 I CB -0.082 37.859 38.000 -0.099 0.000 1.064 150 I HN 0.131 nan 8.210 nan 0.000 0.414 151 K N 0.239 120.497 120.400 -0.236 0.000 2.103 151 K HA -0.099 4.222 4.320 0.002 0.000 0.204 151 K C -0.145 176.100 176.600 -0.592 0.000 1.052 151 K CA 1.171 57.150 56.287 -0.514 0.000 0.945 151 K CB 0.240 32.274 32.500 -0.776 0.000 0.722 151 K HN 0.199 nan 8.250 nan 0.000 0.443 152 Y N 0.014 120.345 120.300 0.051 0.000 2.562 152 Y HA 0.261 4.812 4.550 0.002 0.000 0.363 152 Y C -2.130 173.891 175.900 0.201 0.000 0.991 152 Y CA -2.510 55.664 58.100 0.123 0.000 1.121 152 Y CB 1.213 39.765 38.460 0.152 0.000 1.159 152 Y HN 0.108 nan 8.280 nan 0.000 0.651 153 P HA -0.114 nan 4.420 nan 0.000 0.221 153 P C -0.172 177.113 177.300 -0.025 0.000 1.150 153 P CA 1.129 64.207 63.100 -0.036 0.000 0.800 153 P CB 0.249 31.817 31.700 -0.220 0.000 0.787 154 F N 0.385 120.537 119.950 0.338 0.000 2.404 154 F HA 0.387 4.915 4.527 0.002 0.000 0.354 154 F C 0.616 176.589 175.800 0.287 0.000 1.122 154 F CA -0.773 57.441 58.000 0.357 0.000 1.080 154 F CB 1.116 40.397 39.000 0.468 0.000 1.131 154 F HN -0.343 nan 8.300 nan 0.000 0.471 155 L N 5.846 127.298 121.223 0.381 0.000 2.377 155 L HA 0.550 4.891 4.340 0.002 0.000 0.270 155 L C -1.008 176.050 176.870 0.314 0.000 0.991 155 L CA -0.398 54.590 54.840 0.247 0.000 0.851 155 L CB 1.329 43.484 42.059 0.159 0.000 1.218 155 L HN 0.515 nan 8.230 nan 0.000 0.420 156 L N 2.016 123.195 121.223 -0.074 0.000 2.362 156 L HA 0.763 5.104 4.340 0.002 0.000 0.271 156 L C -0.056 176.197 176.870 -1.027 0.000 1.002 156 L CA -0.299 54.169 54.840 -0.620 0.000 0.818 156 L CB 2.113 43.775 42.059 -0.662 0.000 1.298 156 L HN 0.567 nan 8.230 nan 0.000 0.420 157 S N 0.723 115.273 115.700 -1.917 0.000 2.776 157 S HA 0.480 4.951 4.470 0.002 0.000 0.292 157 S C -1.076 172.904 174.600 -1.033 0.000 1.187 157 S CA -0.800 56.697 58.200 -1.171 0.000 0.834 157 S CB 1.465 64.289 63.200 -0.627 0.000 1.199 157 S HN 0.715 nan 8.310 nan 0.000 0.514 158 N N 0.930 119.291 118.700 -0.565 0.000 2.454 158 N HA 0.503 5.244 4.740 0.002 0.000 0.254 158 N C 0.709 176.194 175.510 -0.042 0.000 1.228 158 N CA 1.217 54.072 53.050 -0.326 0.000 0.900 158 N CB 0.422 38.749 38.487 -0.266 0.000 1.089 158 N HN 1.060 nan 8.380 nan 0.000 0.449 159 G N 1.174 110.000 108.800 0.044 0.000 2.503 159 G HA2 -0.238 3.723 3.960 0.002 0.000 0.235 159 G HA3 -0.238 3.723 3.960 0.002 0.000 0.235 159 G C -0.999 174.164 174.900 0.437 0.000 1.179 159 G CA -0.613 44.619 45.100 0.220 0.000 0.944 159 G HN 0.617 nan 8.290 nan 0.000 0.580 160 N N 0.662 119.601 118.700 0.398 0.000 2.319 160 N HA 0.519 5.260 4.740 0.002 0.000 0.305 160 N C -0.122 175.381 175.510 -0.011 0.000 1.103 160 N CA -0.643 52.560 53.050 0.255 0.000 0.815 160 N CB 1.688 40.245 38.487 0.117 0.000 1.288 160 N HN 0.569 nan 8.380 nan 0.000 0.493 161 R N 0.852 121.062 120.500 -0.483 0.000 2.370 161 R HA 0.123 4.464 4.340 0.002 0.000 0.309 161 R C 1.136 177.221 176.300 -0.359 0.000 1.059 161 R CA -0.079 55.524 56.100 -0.829 0.000 0.981 161 R CB 0.487 30.273 30.300 -0.856 0.000 0.972 161 R HN 0.470 nan 8.270 nan 0.000 0.437 162 V N -0.361 119.395 119.914 -0.264 0.000 3.604 162 V HA 0.525 4.646 4.120 0.002 0.000 0.277 162 V C 0.251 176.296 176.094 -0.082 0.000 1.399 162 V CA 0.422 62.655 62.300 -0.111 0.000 1.034 162 V CB 0.556 32.365 31.823 -0.024 0.000 0.824 162 V HN 0.639 nan 8.190 nan 0.000 0.439 163 A N 0.896 123.643 122.820 -0.122 0.000 2.604 163 A HA 0.815 5.136 4.320 0.002 0.000 0.295 163 A C -1.317 176.052 177.584 -0.358 0.000 1.067 163 A CA -0.398 51.581 52.037 -0.096 0.000 0.683 163 A CB 1.620 20.747 19.000 0.211 0.000 1.281 163 A HN 0.677 nan 8.150 nan 0.000 0.407 164 Q N 0.606 119.997 119.800 -0.680 0.000 2.426 164 Q HA 0.714 5.055 4.340 0.002 0.000 0.278 164 Q C -0.432 174.773 176.000 -1.325 0.000 1.007 164 Q CA -0.662 54.507 55.803 -1.056 0.000 0.850 164 Q CB 1.948 30.355 28.738 -0.550 0.000 1.427 164 Q HN 1.860 nan 8.270 nan 0.000 0.391 165 G N 0.786 108.532 108.800 -1.757 0.000 2.660 165 G HA2 0.515 4.476 3.960 0.002 0.000 0.290 165 G HA3 0.515 4.476 3.960 0.002 0.000 0.290 165 G C -1.567 173.028 174.900 -0.509 0.000 1.432 165 G CA -0.607 43.913 45.100 -0.968 0.000 0.807 165 G HN 0.467 nan 8.290 nan 0.000 0.485 166 E N -0.311 119.846 120.200 -0.072 0.000 2.207 166 E HA 0.633 4.984 4.350 0.002 0.000 0.270 166 E C -0.641 176.076 176.600 0.195 0.000 0.927 166 E CA -0.548 55.899 56.400 0.078 0.000 0.799 166 E CB 2.647 32.368 29.700 0.035 0.000 1.172 166 E HN 0.301 nan 8.360 nan 0.000 0.404 167 L N 0.526 121.875 121.223 0.210 0.000 2.256 167 L HA 0.360 4.701 4.340 0.002 0.000 0.261 167 L C 0.537 177.479 176.870 0.120 0.000 1.022 167 L CA -1.047 53.906 54.840 0.188 0.000 0.828 167 L CB 1.305 43.497 42.059 0.222 0.000 1.374 167 L HN 0.567 nan 8.230 nan 0.000 0.436 168 E N -0.471 119.786 120.200 0.094 0.000 2.391 168 E HA 0.115 4.466 4.350 0.002 0.000 0.255 168 E C -0.557 176.084 176.600 0.067 0.000 1.187 168 E CA -0.518 55.922 56.400 0.067 0.000 0.941 168 E CB 0.238 29.969 29.700 0.052 0.000 1.010 168 E HN 0.586 nan 8.360 nan 0.000 0.458 169 N N 0.249 118.979 118.700 0.050 0.000 2.747 169 N HA -0.196 4.545 4.740 0.002 0.000 0.249 169 N C 0.591 176.132 175.510 0.051 0.000 1.107 169 N CA 1.163 54.241 53.050 0.046 0.000 0.707 169 N CB -1.606 36.910 38.487 0.049 0.000 1.054 169 N HN 1.049 nan 8.380 nan 0.000 0.555 170 G N -0.504 108.324 108.800 0.046 0.000 2.160 170 G HA2 -0.367 3.594 3.960 0.002 0.000 0.251 170 G HA3 -0.367 3.594 3.960 0.002 0.000 0.251 170 G C 0.161 175.101 174.900 0.066 0.000 1.008 170 G CA 0.819 45.940 45.100 0.034 0.000 0.724 170 G HN 0.595 nan 8.290 nan 0.000 0.514 171 R N -0.349 120.222 120.500 0.118 0.000 2.643 171 R HA 0.728 5.069 4.340 0.002 0.000 0.272 171 R C 0.501 176.974 176.300 0.289 0.000 0.995 171 R CA -0.211 56.013 56.100 0.207 0.000 1.032 171 R CB 0.983 31.401 30.300 0.197 0.000 1.126 171 R HN 0.785 nan 8.270 nan 0.000 0.505 172 H N -1.278 117.882 119.070 0.150 0.000 2.960 172 H HA 0.627 5.184 4.556 0.002 0.000 0.338 172 H C -1.435 174.044 175.328 0.252 0.000 1.261 172 H CA -1.188 54.939 56.048 0.131 0.000 1.136 172 H CB 1.784 31.553 29.762 0.012 0.000 1.875 172 H HN 0.687 nan 8.280 nan 0.000 0.550 173 W N 0.512 121.742 121.300 -0.116 0.000 3.167 173 W HA 0.659 5.320 4.660 0.002 0.000 0.324 173 W C -2.485 173.945 176.519 -0.148 0.000 1.230 173 W CA -1.192 56.061 57.345 -0.152 0.000 1.184 173 W CB 0.854 30.298 29.460 -0.026 0.000 1.414 173 W HN 0.538 nan 8.180 nan 0.000 0.551 174 V N 1.726 121.723 119.914 0.139 0.000 2.841 174 V HA 0.382 4.503 4.120 0.002 0.000 0.310 174 V C -0.689 175.554 176.094 0.249 0.000 1.090 174 V CA -0.711 61.581 62.300 -0.013 0.000 0.930 174 V CB 1.885 33.670 31.823 -0.063 0.000 1.014 174 V HN 0.634 nan 8.190 nan 0.000 0.425 175 Q N 1.740 121.605 119.800 0.109 0.000 2.337 175 Q HA 0.536 4.877 4.340 0.002 0.000 0.266 175 Q C -2.072 173.877 176.000 -0.084 0.000 1.023 175 Q CA -0.563 55.358 55.803 0.196 0.000 0.829 175 Q CB 2.215 31.138 28.738 0.308 0.000 1.306 175 Q HN 0.711 nan 8.270 nan 0.000 0.449 176 W N 1.749 123.132 121.300 0.139 0.000 2.689 176 W HA 0.474 5.135 4.660 0.002 0.000 0.340 176 W C -0.524 176.064 176.519 0.116 0.000 1.060 176 W CA -0.460 56.947 57.345 0.102 0.000 1.218 176 W CB 1.907 31.413 29.460 0.077 0.000 1.410 176 W HN 0.515 nan 8.180 nan 0.000 0.528 177 Q N 2.017 122.002 119.800 0.308 0.000 2.323 177 Q HA 0.254 4.595 4.340 0.002 0.000 0.271 177 Q C -1.758 174.368 176.000 0.210 0.000 1.048 177 Q CA -0.629 55.310 55.803 0.226 0.000 0.792 177 Q CB 2.052 30.869 28.738 0.132 0.000 1.280 177 Q HN 0.370 nan 8.270 nan 0.000 0.441 178 D N 4.750 125.264 120.400 0.191 0.000 2.440 178 D HA 0.297 4.938 4.640 0.002 0.000 0.239 178 D C -1.847 174.511 176.300 0.097 0.000 1.084 178 D CA -2.175 51.914 54.000 0.148 0.000 0.843 178 D CB 1.820 42.694 40.800 0.124 0.000 1.097 178 D HN 0.341 nan 8.370 nan 0.000 0.531 179 P HA -0.002 nan 4.420 nan 0.000 0.223 179 P C 0.131 177.280 177.300 -0.251 0.000 1.151 179 P CA 0.235 63.232 63.100 -0.173 0.000 0.787 179 P CB 0.044 31.539 31.700 -0.342 0.000 0.788 180 F N 1.935 121.868 119.950 -0.029 0.000 2.424 180 F HA 0.333 4.861 4.527 0.002 0.000 0.356 180 F C -1.752 174.038 175.800 -0.018 0.000 1.110 180 F CA -2.640 55.327 58.000 -0.055 0.000 1.161 180 F CB -0.161 38.762 39.000 -0.129 0.000 1.115 180 F HN -0.210 nan 8.300 nan 0.000 0.507 181 P HA 0.058 nan 4.420 nan 0.000 0.265 181 P C -1.104 176.263 177.300 0.111 0.000 1.193 181 P CA -0.069 63.112 63.100 0.136 0.000 0.765 181 P CB 0.385 32.143 31.700 0.097 0.000 0.823 182 K N 3.200 123.674 120.400 0.123 0.000 2.508 182 K HA 0.649 4.971 4.320 0.002 0.000 0.260 182 K C -3.135 173.493 176.600 0.047 0.000 0.949 182 K CA -2.494 53.789 56.287 -0.007 0.000 0.834 182 K CB 1.867 34.258 32.500 -0.182 0.000 1.365 182 K HN 0.085 nan 8.250 nan 0.000 0.437 183 P HA 0.000 nan 4.420 nan 0.000 0.274 183 P C 0.958 178.209 177.300 -0.083 0.000 1.237 183 P CA -0.561 62.563 63.100 0.039 0.000 0.793 183 P CB 0.770 32.522 31.700 0.087 0.000 0.977 184 C N 0.202 119.537 119.300 0.058 0.000 2.437 184 C HA -0.084 4.377 4.460 0.002 0.000 0.283 184 C C 2.612 177.536 174.990 -0.109 0.000 1.424 184 C CA 0.247 59.112 59.018 -0.254 0.000 1.782 184 C CB -2.615 24.755 27.740 -0.617 0.000 1.833 184 C HN 0.639 nan 8.230 nan 0.000 0.532 185 Y N 0.992 121.363 120.300 0.117 0.000 2.569 185 Y HA 0.209 4.760 4.550 0.002 0.000 0.293 185 Y C 1.743 177.695 175.900 0.087 0.000 1.144 185 Y CA 0.764 58.985 58.100 0.202 0.000 1.321 185 Y CB -0.764 37.945 38.460 0.416 0.000 0.982 185 Y HN 0.280 nan 8.280 nan 0.000 0.558 186 L N -0.314 120.595 121.223 -0.523 0.000 2.607 186 L HA 0.158 4.499 4.340 0.002 0.000 0.228 186 L C 0.260 176.901 176.870 -0.382 0.000 1.123 186 L CA -0.472 54.068 54.840 -0.500 0.000 0.890 186 L CB -0.163 41.502 42.059 -0.655 0.000 1.103 186 L HN 0.190 nan 8.230 nan 0.000 0.468 187 F N 1.847 121.501 119.950 -0.494 0.000 2.529 187 F HA 0.430 4.958 4.527 0.002 0.000 0.365 187 F C 0.396 176.064 175.800 -0.219 0.000 1.102 187 F CA -0.669 57.046 58.000 -0.475 0.000 1.271 187 F CB 0.463 39.193 39.000 -0.450 0.000 1.120 187 F HN -0.099 nan 8.300 nan 0.000 0.579 188 A N 7.025 129.049 122.820 -1.327 0.000 2.539 188 A HA 0.756 5.077 4.320 0.002 0.000 0.296 188 A C -2.049 174.760 177.584 -1.292 0.000 1.073 188 A CA -0.781 50.635 52.037 -1.035 0.000 0.700 188 A CB 1.546 20.201 19.000 -0.576 0.000 1.296 188 A HN 0.998 nan 8.150 nan 0.000 0.405 189 L N 1.781 122.517 121.223 -0.811 0.000 2.455 189 L HA 0.829 5.170 4.340 0.002 0.000 0.264 189 L C -1.804 174.800 176.870 -0.445 0.000 0.968 189 L CA -0.644 53.816 54.840 -0.633 0.000 0.827 189 L CB 2.114 43.816 42.059 -0.595 0.000 1.317 189 L HN 0.544 nan 8.230 nan 0.000 0.407 190 V N 3.527 123.201 119.914 -0.400 0.000 2.709 190 V HA 0.903 5.024 4.120 0.002 0.000 0.308 190 V C -0.496 175.527 176.094 -0.119 0.000 1.062 190 V CA -0.300 61.846 62.300 -0.257 0.000 0.901 190 V CB 1.780 33.407 31.823 -0.327 0.000 1.003 190 V HN 0.877 nan 8.190 nan 0.000 0.425 191 A N 2.790 125.610 122.820 0.000 0.000 2.398 191 A HA 1.047 5.368 4.320 0.002 0.000 0.301 191 A C -0.046 177.762 177.584 0.373 0.000 1.041 191 A CA 0.139 52.247 52.037 0.119 0.000 0.711 191 A CB 1.880 20.740 19.000 -0.233 0.000 1.240 191 A HN 1.724 nan 8.150 nan 0.000 0.420 192 G N 0.364 109.454 108.800 0.484 0.000 2.323 192 G HA2 0.456 4.418 3.960 0.002 0.000 0.291 192 G HA3 0.456 4.418 3.960 0.002 0.000 0.291 192 G C -2.238 172.586 174.900 -0.125 0.000 1.278 192 G CA -0.199 44.962 45.100 0.102 0.000 0.860 192 G HN 0.829 nan 8.290 nan 0.000 0.504 193 D N -0.514 119.555 120.400 -0.552 0.000 2.408 193 D HA 0.735 5.376 4.640 0.002 0.000 0.243 193 D C -1.099 174.858 176.300 -0.571 0.000 1.075 193 D CA -0.248 53.621 54.000 -0.219 0.000 0.832 193 D CB 0.955 41.695 40.800 -0.099 0.000 1.162 193 D HN 0.220 nan 8.370 nan 0.000 0.515 194 F N 0.992 121.044 119.950 0.171 0.000 2.613 194 F HA 0.353 4.881 4.527 0.002 0.000 0.314 194 F C 0.339 176.094 175.800 -0.076 0.000 1.075 194 F CA -1.070 56.913 58.000 -0.028 0.000 0.945 194 F CB 1.452 40.378 39.000 -0.123 0.000 1.310 194 F HN 0.084 nan 8.300 nan 0.000 0.467 195 D N 1.155 121.630 120.400 0.124 0.000 2.304 195 D HA 0.500 5.141 4.640 0.002 0.000 0.247 195 D C -0.792 175.430 176.300 -0.130 0.000 1.089 195 D CA 0.189 54.197 54.000 0.014 0.000 0.910 195 D CB 1.876 42.685 40.800 0.015 0.000 1.199 195 D HN 0.140 nan 8.370 nan 0.000 0.426 196 V N 2.902 122.686 119.914 -0.217 0.000 2.483 196 V HA 0.221 4.342 4.120 0.002 0.000 0.297 196 V C -0.315 175.617 176.094 -0.271 0.000 1.027 196 V CA -0.950 61.090 62.300 -0.435 0.000 0.855 196 V CB 1.781 33.212 31.823 -0.653 0.000 0.995 196 V HN 0.298 nan 8.190 nan 0.000 0.424 197 L N 6.366 127.430 121.223 -0.265 0.000 2.265 197 L HA 0.605 4.946 4.340 0.002 0.000 0.288 197 L C 0.102 176.866 176.870 -0.177 0.000 1.058 197 L CA 0.267 55.005 54.840 -0.170 0.000 0.809 197 L CB 0.660 42.640 42.059 -0.132 0.000 1.179 197 L HN 0.616 nan 8.230 nan 0.000 0.429 198 R N 3.883 124.313 120.500 -0.117 0.000 2.562 198 R HA 0.617 4.958 4.340 0.002 0.000 0.298 198 R C -1.150 175.121 176.300 -0.047 0.000 0.961 198 R CA -0.807 55.243 56.100 -0.083 0.000 0.881 198 R CB 1.787 32.054 30.300 -0.055 0.000 1.159 198 R HN 0.609 nan 8.270 nan 0.000 0.450 199 D N -0.037 120.344 120.400 -0.032 0.000 2.825 199 D HA 0.435 5.076 4.640 0.002 0.000 0.327 199 D C -1.200 175.109 176.300 0.015 0.000 1.277 199 D CA -0.245 53.747 54.000 -0.013 0.000 0.950 199 D CB 2.606 43.388 40.800 -0.029 0.000 1.438 199 D HN 0.346 nan 8.370 nan 0.000 0.526 200 T N 0.523 115.096 114.554 0.033 0.000 2.933 200 T HA 0.534 4.885 4.350 0.002 0.000 0.305 200 T C -1.408 173.361 174.700 0.114 0.000 1.092 200 T CA -0.431 61.708 62.100 0.064 0.000 1.008 200 T CB 0.991 69.882 68.868 0.037 0.000 1.102 200 T HN 0.241 nan 8.240 nan 0.000 0.469 201 F N 2.020 121.956 119.950 -0.023 0.000 2.529 201 F HA 0.576 5.104 4.527 0.002 0.000 0.320 201 F C -0.369 175.443 175.800 0.020 0.000 1.118 201 F CA -0.369 57.615 58.000 -0.028 0.000 0.915 201 F CB 1.728 40.677 39.000 -0.084 0.000 1.161 201 F HN 0.424 nan 8.300 nan 0.000 0.445 202 T N 4.209 118.420 114.554 -0.570 0.000 2.749 202 T HA 0.331 4.682 4.350 0.002 0.000 0.287 202 T C 0.171 174.561 174.700 -0.516 0.000 0.970 202 T CA -0.528 61.364 62.100 -0.347 0.000 0.980 202 T CB 0.892 69.621 68.868 -0.231 0.000 0.924 202 T HN 0.750 nan 8.240 nan 0.000 0.456 203 T N 0.820 115.337 114.554 -0.062 0.000 2.766 203 T HA 0.174 4.525 4.350 0.002 0.000 0.295 203 T C 1.536 176.253 174.700 0.028 0.000 1.024 203 T CA -0.645 61.534 62.100 0.132 0.000 1.018 203 T CB 0.727 69.765 68.868 0.285 0.000 1.002 203 T HN 0.626 nan 8.240 nan 0.000 0.532 204 R N 0.552 121.109 120.500 0.096 0.000 2.127 204 R HA -0.120 4.221 4.340 0.002 0.000 0.238 204 R C 2.170 178.493 176.300 0.038 0.000 1.134 204 R CA 2.031 58.163 56.100 0.053 0.000 0.975 204 R CB -0.629 29.717 30.300 0.076 0.000 0.865 204 R HN 0.779 nan 8.270 nan 0.000 0.447 205 S N -1.853 113.883 115.700 0.059 0.000 2.575 205 S HA 0.234 4.705 4.470 0.002 0.000 0.215 205 S C 1.118 175.743 174.600 0.042 0.000 0.966 205 S CA 0.102 58.332 58.200 0.050 0.000 0.911 205 S CB 0.834 64.072 63.200 0.063 0.000 0.780 205 S HN 0.624 nan 8.310 nan 0.000 0.514 206 G N 1.477 110.298 108.800 0.035 0.000 2.144 206 G HA2 -0.247 3.714 3.960 0.002 0.000 0.218 206 G HA3 -0.247 3.714 3.960 0.002 0.000 0.218 206 G C -0.029 174.897 174.900 0.043 0.000 0.988 206 G CA -0.165 44.947 45.100 0.020 0.000 0.659 206 G HN 0.721 nan 8.290 nan 0.000 0.522 207 R N 1.014 121.563 120.500 0.081 0.000 2.347 207 R HA 0.440 4.781 4.340 0.002 0.000 0.304 207 R C 0.103 176.475 176.300 0.119 0.000 1.072 207 R CA -0.231 55.936 56.100 0.112 0.000 0.980 207 R CB 0.402 30.795 30.300 0.156 0.000 0.986 207 R HN 0.377 nan 8.270 nan 0.000 0.448 208 E N 4.151 124.414 120.200 0.104 0.000 2.200 208 E HA 0.200 4.551 4.350 0.002 0.000 0.283 208 E C -1.296 175.402 176.600 0.163 0.000 1.015 208 E CA -0.698 55.762 56.400 0.101 0.000 0.819 208 E CB 1.297 31.034 29.700 0.062 0.000 1.081 208 E HN 0.346 nan 8.360 nan 0.000 0.397 209 V N 3.530 123.569 119.914 0.209 0.000 2.417 209 V HA 0.441 4.562 4.120 0.002 0.000 0.291 209 V C 0.103 176.313 176.094 0.193 0.000 1.024 209 V CA -0.848 61.611 62.300 0.265 0.000 0.861 209 V CB 1.277 33.321 31.823 0.368 0.000 0.985 209 V HN 0.823 nan 8.190 nan 0.000 0.436 210 A N 6.655 129.583 122.820 0.180 0.000 2.409 210 A HA 0.678 4.999 4.320 0.002 0.000 0.267 210 A C -0.350 177.312 177.584 0.129 0.000 1.127 210 A CA -0.160 51.958 52.037 0.135 0.000 0.795 210 A CB -0.074 19.006 19.000 0.134 0.000 1.061 210 A HN 0.818 nan 8.150 nan 0.000 0.502 211 L N 2.674 123.938 121.223 0.070 0.000 2.295 211 L HA 0.519 4.861 4.340 0.002 0.000 0.285 211 L C -0.053 176.815 176.870 -0.004 0.000 1.035 211 L CA -0.176 54.679 54.840 0.026 0.000 0.806 211 L CB 1.365 43.391 42.059 -0.054 0.000 1.214 211 L HN 0.730 nan 8.230 nan 0.000 0.426 212 E N 4.810 125.012 120.200 0.004 0.000 2.265 212 E HA 0.482 4.833 4.350 0.002 0.000 0.262 212 E C -1.358 175.156 176.600 -0.143 0.000 0.889 212 E CA -0.506 55.833 56.400 -0.101 0.000 0.789 212 E CB 2.626 32.322 29.700 -0.007 0.000 1.221 212 E HN 0.438 nan 8.360 nan 0.000 0.414 213 L N 3.791 124.846 121.223 -0.280 0.000 2.298 213 L HA 0.445 4.786 4.340 0.002 0.000 0.284 213 L C -0.981 175.667 176.870 -0.371 0.000 1.013 213 L CA -0.834 53.861 54.840 -0.242 0.000 0.824 213 L CB 0.483 42.413 42.059 -0.216 0.000 1.221 213 L HN 0.535 nan 8.230 nan 0.000 0.418 214 Y N 3.037 123.141 120.300 -0.326 0.000 2.341 214 Y HA 0.476 5.027 4.550 0.002 0.000 0.340 214 Y C 0.406 176.114 175.900 -0.320 0.000 0.997 214 Y CA -0.720 57.114 58.100 -0.443 0.000 1.149 214 Y CB 1.755 39.695 38.460 -0.866 0.000 1.171 214 Y HN 0.370 nan 8.280 nan 0.000 0.494 215 V N -0.869 119.041 119.914 -0.007 0.000 3.040 215 V HA 0.546 4.667 4.120 0.002 0.000 0.312 215 V C -0.544 175.705 176.094 0.258 0.000 1.115 215 V CA -1.317 61.036 62.300 0.088 0.000 0.998 215 V CB 1.938 33.766 31.823 0.008 0.000 1.042 215 V HN 0.471 nan 8.190 nan 0.000 0.433 216 D N 2.074 122.611 120.400 0.229 0.000 2.449 216 D HA 0.137 4.778 4.640 0.002 0.000 0.236 216 D C 0.449 176.809 176.300 0.101 0.000 1.149 216 D CA 0.245 54.350 54.000 0.174 0.000 0.878 216 D CB 0.398 41.268 40.800 0.115 0.000 1.198 216 D HN 0.442 nan 8.370 nan 0.000 0.446 217 R N 1.044 121.581 120.500 0.062 0.000 2.504 217 R HA 0.221 4.562 4.340 0.002 0.000 0.291 217 R C 1.284 177.603 176.300 0.032 0.000 0.974 217 R CA 0.814 56.940 56.100 0.042 0.000 1.077 217 R CB -0.314 30.000 30.300 0.023 0.000 0.926 217 R HN 0.806 nan 8.270 nan 0.000 0.407 218 G N 2.700 111.516 108.800 0.027 0.000 2.179 218 G HA2 -0.292 3.669 3.960 0.002 0.000 0.220 218 G HA3 -0.292 3.669 3.960 0.002 0.000 0.220 218 G C 0.541 175.451 174.900 0.017 0.000 0.990 218 G CA 0.213 45.324 45.100 0.019 0.000 0.646 218 G HN 0.654 nan 8.290 nan 0.000 0.517 219 N N -0.262 118.450 118.700 0.021 0.000 2.230 219 N HA 0.311 5.052 4.740 0.002 0.000 0.202 219 N C 1.677 177.188 175.510 0.002 0.000 1.119 219 N CA -0.442 52.616 53.050 0.013 0.000 0.851 219 N CB 0.188 38.686 38.487 0.019 0.000 0.990 219 N HN 0.193 nan 8.380 nan 0.000 0.497 220 L N 1.735 122.958 121.223 -0.001 0.000 2.191 220 L HA -0.167 4.174 4.340 0.002 0.000 0.212 220 L C 1.832 178.700 176.870 -0.003 0.000 1.103 220 L CA 1.641 56.474 54.840 -0.012 0.000 0.769 220 L CB -0.579 41.472 42.059 -0.013 0.000 0.908 220 L HN 0.351 nan 8.230 nan 0.000 0.438 221 D N -1.207 119.197 120.400 0.006 0.000 2.309 221 D HA -0.221 4.420 4.640 0.002 0.000 0.212 221 D C 1.681 177.994 176.300 0.022 0.000 0.968 221 D CA 0.958 54.968 54.000 0.016 0.000 0.882 221 D CB -0.246 40.565 40.800 0.018 0.000 0.918 221 D HN 0.336 nan 8.370 nan 0.000 0.503 222 R N -0.495 120.011 120.500 0.010 0.000 2.432 222 R HA 0.430 4.771 4.340 0.002 0.000 0.260 222 R C 1.345 177.650 176.300 0.009 0.000 0.935 222 R CA 0.407 56.511 56.100 0.006 0.000 1.080 222 R CB 0.744 31.033 30.300 -0.018 0.000 1.155 222 R HN 0.191 nan 8.270 nan 0.000 0.531 223 A N 1.505 124.327 122.820 0.003 0.000 2.014 223 A HA 0.166 4.487 4.320 0.002 0.000 0.210 223 A C -0.876 176.707 177.584 -0.003 0.000 1.188 223 A CA 0.151 52.174 52.037 -0.024 0.000 0.731 223 A CB -0.434 18.530 19.000 -0.061 0.000 0.858 223 A HN 0.030 nan 8.150 nan 0.000 0.464 224 P HA -0.209 nan 4.420 nan 0.000 0.216 224 P C 1.515 178.887 177.300 0.120 0.000 1.150 224 P CA 1.101 64.237 63.100 0.061 0.000 0.843 224 P CB -0.227 31.526 31.700 0.089 0.000 0.787 225 W N 0.704 122.013 121.300 0.015 0.000 2.358 225 W HA -0.171 4.490 4.660 0.002 0.000 0.303 225 W C 1.956 178.472 176.519 -0.005 0.000 1.208 225 W CA 1.356 58.733 57.345 0.054 0.000 1.274 225 W CB -0.475 29.076 29.460 0.153 0.000 1.138 225 W HN -0.081 nan 8.180 nan 0.000 0.515 226 A N 0.941 123.655 122.820 -0.176 0.000 1.902 226 A HA -0.284 4.037 4.320 0.002 0.000 0.217 226 A C 1.871 179.231 177.584 -0.373 0.000 1.181 226 A CA 2.215 54.050 52.037 -0.337 0.000 0.623 226 A CB -1.027 17.831 19.000 -0.238 0.000 0.818 226 A HN 0.394 nan 8.150 nan 0.000 0.443 227 M N 0.047 119.491 119.600 -0.260 0.000 2.086 227 M HA -0.103 4.378 4.480 0.002 0.000 0.261 227 M C 2.002 178.144 176.300 -0.263 0.000 1.067 227 M CA 2.531 57.688 55.300 -0.240 0.000 1.116 227 M CB -1.071 31.440 32.600 -0.148 0.000 1.348 227 M HN 0.362 nan 8.290 nan 0.000 0.407 228 T N -0.161 114.243 114.554 -0.250 0.000 2.720 228 T HA -0.116 4.235 4.350 0.002 0.000 0.268 228 T C 1.914 176.374 174.700 -0.399 0.000 1.037 228 T CA 1.868 63.816 62.100 -0.252 0.000 1.144 228 T CB -0.470 68.306 68.868 -0.153 0.000 0.864 228 T HN 0.446 nan 8.240 nan 0.000 0.444 229 S N 1.145 116.453 115.700 -0.653 0.000 2.382 229 S HA -0.025 4.446 4.470 0.002 0.000 0.228 229 S C 1.909 176.271 174.600 -0.396 0.000 1.027 229 S CA 0.576 58.433 58.200 -0.572 0.000 0.991 229 S CB -0.442 62.326 63.200 -0.721 0.000 0.823 229 S HN 0.265 nan 8.310 nan 0.000 0.469 230 L N 2.078 123.022 121.223 -0.466 0.000 1.994 230 L HA -0.056 4.285 4.340 0.002 0.000 0.208 230 L C 1.952 178.426 176.870 -0.660 0.000 1.071 230 L CA 1.853 56.334 54.840 -0.598 0.000 0.745 230 L CB -0.603 41.099 42.059 -0.596 0.000 0.892 230 L HN 0.105 nan 8.230 nan 0.000 0.431 231 K N -0.533 119.593 120.400 -0.458 0.000 2.063 231 K HA -0.161 4.160 4.320 0.002 0.000 0.208 231 K C 1.922 178.353 176.600 -0.282 0.000 1.048 231 K CA 1.454 57.519 56.287 -0.371 0.000 0.928 231 K CB -0.374 32.094 32.500 -0.053 0.000 0.713 231 K HN 0.382 nan 8.250 nan 0.000 0.442 232 N N 0.737 119.351 118.700 -0.143 0.000 2.104 232 N HA -0.125 4.616 4.740 0.002 0.000 0.190 232 N C 1.830 177.409 175.510 0.115 0.000 1.024 232 N CA 1.327 54.420 53.050 0.073 0.000 0.853 232 N CB -0.396 38.180 38.487 0.148 0.000 1.008 232 N HN 0.043 nan 8.380 nan 0.000 0.424 233 S N 0.958 116.514 115.700 -0.241 0.000 2.368 233 S HA -0.025 4.446 4.470 0.002 0.000 0.225 233 S C 2.047 176.420 174.600 -0.379 0.000 1.030 233 S CA 0.965 58.815 58.200 -0.584 0.000 0.999 233 S CB -0.125 62.488 63.200 -0.978 0.000 0.844 233 S HN 0.314 nan 8.310 nan 0.000 0.459 234 M N 0.846 119.921 119.600 -0.875 0.000 2.086 234 M HA -0.120 4.361 4.480 0.002 0.000 0.261 234 M C 2.278 178.408 176.300 -0.283 0.000 1.067 234 M CA 1.386 56.115 55.300 -0.952 0.000 1.116 234 M CB -0.356 31.175 32.600 -1.783 0.000 1.348 234 M HN 0.071 nan 8.290 nan 0.000 0.407 235 K N -0.053 120.273 120.400 -0.124 0.000 2.057 235 K HA -0.214 4.107 4.320 0.002 0.000 0.207 235 K C 1.632 178.405 176.600 0.287 0.000 1.049 235 K CA 1.693 58.144 56.287 0.273 0.000 0.931 235 K CB -0.626 32.077 32.500 0.338 0.000 0.714 235 K HN 0.460 nan 8.250 nan 0.000 0.440 236 W N 1.359 122.756 121.300 0.161 0.000 2.358 236 W HA -0.164 4.497 4.660 0.002 0.000 0.303 236 W C 1.634 178.270 176.519 0.194 0.000 1.208 236 W CA 1.914 59.394 57.345 0.225 0.000 1.274 236 W CB -0.424 29.285 29.460 0.414 0.000 1.138 236 W HN 0.193 nan 8.180 nan 0.000 0.515 237 D N 0.155 120.763 120.400 0.347 0.000 2.178 237 D HA -0.191 4.450 4.640 0.002 0.000 0.201 237 D C 1.884 178.200 176.300 0.026 0.000 0.980 237 D CA 1.598 55.672 54.000 0.124 0.000 0.842 237 D CB -0.193 40.899 40.800 0.487 0.000 0.948 237 D HN 0.381 nan 8.370 nan 0.000 0.472 238 E N 0.138 120.400 120.200 0.103 0.000 2.031 238 E HA -0.161 4.190 4.350 0.002 0.000 0.193 238 E C 2.102 178.688 176.600 -0.022 0.000 0.994 238 E CA 0.870 57.313 56.400 0.072 0.000 0.800 238 E CB -0.015 29.781 29.700 0.160 0.000 0.752 238 E HN 0.421 nan 8.360 nan 0.000 0.447 239 E N 0.217 120.386 120.200 -0.052 0.000 2.047 239 E HA -0.190 4.161 4.350 0.002 0.000 0.191 239 E C 2.202 178.666 176.600 -0.228 0.000 0.987 239 E CA 0.890 57.231 56.400 -0.099 0.000 0.799 239 E CB 0.031 29.705 29.700 -0.044 0.000 0.752 239 E HN -0.058 nan 8.360 nan 0.000 0.449 240 R N -0.165 120.056 120.500 -0.464 0.000 2.066 240 R HA 0.019 4.360 4.340 0.002 0.000 0.224 240 R C 1.356 177.343 176.300 -0.521 0.000 1.122 240 R CA 1.211 56.953 56.100 -0.597 0.000 0.974 240 R CB -0.075 29.534 30.300 -1.151 0.000 0.871 240 R HN 0.089 nan 8.270 nan 0.000 0.435 241 F N -0.883 118.814 119.950 -0.422 0.000 2.704 241 F HA 0.345 4.874 4.527 0.002 0.000 0.304 241 F C 1.164 176.862 175.800 -0.169 0.000 1.094 241 F CA 0.368 58.237 58.000 -0.218 0.000 1.275 241 F CB 1.104 39.991 39.000 -0.189 0.000 1.073 241 F HN 0.286 nan 8.300 nan 0.000 0.586 242 G N 1.867 110.640 108.800 -0.045 0.000 2.221 242 G HA2 -0.297 3.664 3.960 0.002 0.000 0.265 242 G HA3 -0.297 3.664 3.960 0.002 0.000 0.265 242 G C -0.205 174.619 174.900 -0.127 0.000 1.041 242 G CA -0.068 44.992 45.100 -0.066 0.000 0.807 242 G HN 0.283 nan 8.290 nan 0.000 0.502 243 L N -0.197 120.949 121.223 -0.129 0.000 2.322 243 L HA 0.605 4.946 4.340 0.002 0.000 0.281 243 L C 0.356 177.242 176.870 0.027 0.000 1.014 243 L CA -0.770 53.881 54.840 -0.315 0.000 0.815 243 L CB 1.628 43.358 42.059 -0.548 0.000 1.247 243 L HN 0.172 nan 8.230 nan 0.000 0.421 244 E N 1.296 121.580 120.200 0.139 0.000 2.221 244 E HA 0.262 4.613 4.350 0.002 0.000 0.268 244 E C -1.316 175.623 176.600 0.564 0.000 0.933 244 E CA -0.917 55.696 56.400 0.354 0.000 0.809 244 E CB 2.428 32.292 29.700 0.273 0.000 1.190 244 E HN 0.306 nan 8.360 nan 0.000 0.406 245 Y N 2.537 123.088 120.300 0.419 0.000 2.550 245 Y HA -0.070 4.481 4.550 0.002 0.000 0.343 245 Y C 0.805 176.857 175.900 0.253 0.000 1.245 245 Y CA 0.414 58.723 58.100 0.348 0.000 1.462 245 Y CB 0.577 39.266 38.460 0.383 0.000 1.340 245 Y HN 0.532 nan 8.280 nan 0.000 0.604 246 D N 2.537 122.589 120.400 -0.579 0.000 2.469 246 D HA 0.144 4.785 4.640 0.002 0.000 0.213 246 D C -0.305 175.816 176.300 -0.299 0.000 1.135 246 D CA 0.239 54.042 54.000 -0.328 0.000 0.834 246 D CB -0.164 40.383 40.800 -0.421 0.000 1.009 246 D HN 0.411 nan 8.370 nan 0.000 0.507 247 L N -0.125 120.674 121.223 -0.706 0.000 2.211 247 L HA 0.405 4.746 4.340 0.002 0.000 0.259 247 L C 0.560 177.491 176.870 0.103 0.000 1.031 247 L CA -0.848 53.861 54.840 -0.218 0.000 0.877 247 L CB 1.897 43.854 42.059 -0.170 0.000 1.457 247 L HN -0.280 nan 8.230 nan 0.000 0.466 248 D N 0.007 120.532 120.400 0.209 0.000 2.355 248 D HA 0.263 4.904 4.640 0.002 0.000 0.206 248 D C 0.066 176.546 176.300 0.300 0.000 1.010 248 D CA 0.922 55.065 54.000 0.238 0.000 0.875 248 D CB 1.471 42.368 40.800 0.162 0.000 0.966 248 D HN 0.184 nan 8.370 nan 0.000 0.512 249 I N -0.143 120.642 120.570 0.357 0.000 2.647 249 I HA 0.300 4.471 4.170 0.002 0.000 0.295 249 I C -1.443 174.894 176.117 0.368 0.000 1.078 249 I CA -1.112 60.380 61.300 0.319 0.000 1.048 249 I CB 2.721 40.883 38.000 0.270 0.000 1.239 249 I HN -0.224 nan 8.210 nan 0.000 0.421 250 Y N 5.794 126.155 120.300 0.102 0.000 2.332 250 Y HA 0.590 5.141 4.550 0.002 0.000 0.326 250 Y C -0.827 175.049 175.900 -0.040 0.000 0.978 250 Y CA -0.645 57.421 58.100 -0.056 0.000 1.205 250 Y CB 1.490 39.736 38.460 -0.357 0.000 1.131 250 Y HN 0.459 nan 8.280 nan 0.000 0.462 251 M N 6.962 126.518 119.600 -0.073 0.000 2.336 251 M HA 0.541 5.022 4.480 0.002 0.000 0.342 251 M C -1.197 175.065 176.300 -0.063 0.000 1.128 251 M CA -0.475 54.827 55.300 0.004 0.000 1.016 251 M CB 1.834 34.383 32.600 -0.085 0.000 1.665 251 M HN 0.484 nan 8.290 nan 0.000 0.445 252 I N 2.558 123.124 120.570 -0.007 0.000 2.498 252 I HA 0.496 4.667 4.170 0.002 0.000 0.290 252 I C -1.030 175.011 176.117 -0.126 0.000 1.032 252 I CA -1.002 60.233 61.300 -0.109 0.000 1.073 252 I CB 2.257 40.095 38.000 -0.270 0.000 1.251 252 I HN 0.316 nan 8.210 nan 0.000 0.426 253 V N 5.015 124.820 119.914 -0.181 0.000 2.409 253 V HA 0.571 4.692 4.120 0.002 0.000 0.291 253 V C 0.272 176.271 176.094 -0.157 0.000 1.020 253 V CA -0.667 61.482 62.300 -0.252 0.000 0.848 253 V CB 1.642 33.209 31.823 -0.425 0.000 0.990 253 V HN 0.816 nan 8.190 nan 0.000 0.430 254 A N 5.227 127.972 122.820 -0.126 0.000 2.309 254 A HA 0.744 5.065 4.320 0.002 0.000 0.290 254 A C -0.174 177.416 177.584 0.010 0.000 1.206 254 A CA -0.367 51.642 52.037 -0.046 0.000 0.850 254 A CB 0.621 19.596 19.000 -0.042 0.000 1.118 254 A HN 1.318 nan 8.150 nan 0.000 0.523 255 V N 0.359 120.281 119.914 0.013 0.000 2.628 255 V HA 0.519 4.640 4.120 0.002 0.000 0.306 255 V C 0.017 176.185 176.094 0.123 0.000 1.045 255 V CA -0.679 61.690 62.300 0.114 0.000 0.905 255 V CB 1.864 33.778 31.823 0.152 0.000 0.997 255 V HN 0.677 nan 8.190 nan 0.000 0.436 256 D N 1.932 122.431 120.400 0.164 0.000 2.234 256 D HA 0.120 4.761 4.640 0.002 0.000 0.205 256 D C 0.083 176.292 176.300 -0.152 0.000 0.962 256 D CA 1.549 55.536 54.000 -0.022 0.000 0.855 256 D CB -0.004 40.736 40.800 -0.099 0.000 0.951 256 D HN 0.605 nan 8.370 nan 0.000 0.500 257 F N 0.310 120.384 119.950 0.207 0.000 2.332 257 F HA 0.388 4.916 4.527 0.002 0.000 0.368 257 F C -0.441 175.598 175.800 0.397 0.000 1.110 257 F CA -0.873 57.270 58.000 0.238 0.000 1.087 257 F CB 0.808 39.954 39.000 0.243 0.000 1.235 257 F HN -0.335 nan 8.300 nan 0.000 0.470 258 F N 2.948 122.994 119.950 0.161 0.000 2.639 258 F HA 0.301 4.829 4.527 0.002 0.000 0.320 258 F C 0.265 176.069 175.800 0.005 0.000 1.128 258 F CA -0.860 57.210 58.000 0.116 0.000 1.037 258 F CB 1.236 40.308 39.000 0.121 0.000 1.288 258 F HN 0.192 nan 8.300 nan 0.000 0.463 259 N N 3.578 122.020 118.700 -0.431 0.000 2.331 259 N HA 0.022 4.763 4.740 0.002 0.000 0.180 259 N C 0.492 175.873 175.510 -0.215 0.000 1.019 259 N CA 1.183 54.047 53.050 -0.311 0.000 0.881 259 N CB 0.155 38.410 38.487 -0.387 0.000 0.972 259 N HN 0.455 nan 8.380 nan 0.000 0.435 260 M N -1.894 117.552 119.600 -0.256 0.000 2.357 260 M HA 0.365 4.846 4.480 0.002 0.000 0.232 260 M C 1.739 178.256 176.300 0.362 0.000 0.819 260 M CA -0.422 54.879 55.300 0.003 0.000 1.630 260 M CB -0.472 32.067 32.600 -0.102 0.000 1.242 260 M HN -0.069 nan 8.290 nan 0.000 0.838 261 G N -0.191 108.799 108.800 0.316 0.000 2.524 261 G HA2 0.490 4.451 3.960 0.002 0.000 0.210 261 G HA3 0.490 4.451 3.960 0.002 0.000 0.210 261 G C 0.020 175.006 174.900 0.144 0.000 1.187 261 G CA 0.830 46.133 45.100 0.338 0.000 0.825 261 G HN 0.821 nan 8.290 nan 0.000 0.558 262 A N -1.770 121.038 122.820 -0.020 0.000 2.566 262 A HA 0.699 5.021 4.320 0.002 0.000 0.290 262 A C -1.808 175.697 177.584 -0.130 0.000 1.071 262 A CA -0.461 51.288 52.037 -0.479 0.000 0.658 262 A CB 1.364 19.464 19.000 -1.501 0.000 1.285 262 A HN 0.526 nan 8.150 nan 0.000 0.427 263 M N 1.281 120.787 119.600 -0.157 0.000 2.326 263 M HA 0.428 4.909 4.480 0.002 0.000 0.292 263 M C 0.057 176.373 176.300 0.027 0.000 1.081 263 M CA -0.312 55.030 55.300 0.070 0.000 0.919 263 M CB 1.935 34.678 32.600 0.239 0.000 1.634 263 M HN 0.728 nan 8.290 nan 0.000 0.451 264 E N 2.758 122.990 120.200 0.053 0.000 2.301 264 E HA 0.054 4.405 4.350 0.002 0.000 0.195 264 E C -0.957 175.605 176.600 -0.062 0.000 1.171 264 E CA -0.087 56.336 56.400 0.039 0.000 1.142 264 E CB -0.848 28.889 29.700 0.061 0.000 1.218 264 E HN 0.684 nan 8.360 nan 0.000 0.448 265 N N 2.290 120.932 118.700 -0.097 0.000 2.356 265 N HA -0.079 4.662 4.740 0.002 0.000 0.252 265 N C 0.082 175.440 175.510 -0.253 0.000 1.241 265 N CA 0.310 53.239 53.050 -0.203 0.000 0.861 265 N CB 0.549 38.891 38.487 -0.241 0.000 1.075 265 N HN 0.136 nan 8.380 nan 0.000 0.461 266 K N 1.267 121.497 120.400 -0.284 0.000 2.430 266 K HA 0.058 4.379 4.320 0.002 0.000 0.280 266 K C 1.151 177.592 176.600 -0.266 0.000 1.063 266 K CA 0.875 57.004 56.287 -0.263 0.000 1.071 266 K CB -0.555 31.793 32.500 -0.254 0.000 0.899 266 K HN 0.720 nan 8.250 nan 0.000 0.473 267 G N 3.121 111.748 108.800 -0.289 0.000 2.196 267 G HA2 -0.274 3.687 3.960 0.002 0.000 0.268 267 G HA3 -0.274 3.687 3.960 0.002 0.000 0.268 267 G C -0.173 174.479 174.900 -0.413 0.000 0.975 267 G CA 0.592 45.507 45.100 -0.308 0.000 0.648 267 G HN 0.652 nan 8.290 nan 0.000 0.538 268 L N 1.112 122.087 121.223 -0.413 0.000 2.448 268 L HA 0.448 4.789 4.340 0.002 0.000 0.257 268 L C -0.144 176.549 176.870 -0.294 0.000 1.504 268 L CA -1.088 53.518 54.840 -0.390 0.000 0.852 268 L CB -0.166 41.608 42.059 -0.475 0.000 1.051 268 L HN 0.254 nan 8.230 nan 0.000 0.518 269 N N 3.317 121.894 118.700 -0.205 0.000 2.518 269 N HA 0.446 5.187 4.740 0.002 0.000 0.266 269 N C -0.746 174.784 175.510 0.033 0.000 1.196 269 N CA -0.107 52.948 53.050 0.007 0.000 0.947 269 N CB 1.178 39.859 38.487 0.324 0.000 1.098 269 N HN 0.402 nan 8.380 nan 0.000 0.450 270 I N 2.517 123.099 120.570 0.020 0.000 2.406 270 I HA 0.327 4.498 4.170 0.002 0.000 0.290 270 I C -0.998 174.984 176.117 -0.225 0.000 0.999 270 I CA -0.517 60.739 61.300 -0.074 0.000 1.124 270 I CB 0.880 38.820 38.000 -0.100 0.000 1.289 270 I HN 0.305 nan 8.210 nan 0.000 0.441 271 F N 4.373 124.041 119.950 -0.471 0.000 2.495 271 F HA 0.346 4.874 4.527 0.002 0.000 0.327 271 F C 0.632 176.094 175.800 -0.563 0.000 1.103 271 F CA -0.917 56.803 58.000 -0.467 0.000 0.949 271 F CB 1.270 40.157 39.000 -0.188 0.000 1.142 271 F HN 0.391 nan 8.300 nan 0.000 0.457 272 N N 1.464 119.893 118.700 -0.452 0.000 2.411 272 N HA -0.083 4.658 4.740 0.002 0.000 0.261 272 N C 0.892 176.408 175.510 0.011 0.000 1.248 272 N CA 0.520 53.507 53.050 -0.105 0.000 0.885 272 N CB 1.024 39.573 38.487 0.103 0.000 1.062 272 N HN 0.618 nan 8.380 nan 0.000 0.471 273 S N 3.642 119.334 115.700 -0.013 0.000 2.420 273 S HA -0.237 4.234 4.470 0.002 0.000 0.237 273 S C 1.643 176.206 174.600 -0.061 0.000 1.023 273 S CA 1.462 59.652 58.200 -0.017 0.000 0.991 273 S CB -0.137 63.048 63.200 -0.025 0.000 0.792 273 S HN 0.826 nan 8.310 nan 0.000 0.488 274 K N 0.409 120.717 120.400 -0.154 0.000 2.211 274 K HA -0.150 4.171 4.320 0.002 0.000 0.204 274 K C 0.535 176.929 176.600 -0.343 0.000 1.047 274 K CA 1.441 57.541 56.287 -0.312 0.000 0.935 274 K CB -0.361 31.844 32.500 -0.492 0.000 0.728 274 K HN 0.380 nan 8.250 nan 0.000 0.452 275 Y N 0.487 120.835 120.300 0.079 0.000 2.625 275 Y HA 0.217 4.768 4.550 0.002 0.000 0.285 275 Y C 1.113 177.117 175.900 0.174 0.000 1.168 275 Y CA -0.586 57.604 58.100 0.150 0.000 1.250 275 Y CB 0.867 39.441 38.460 0.190 0.000 1.130 275 Y HN -0.108 nan 8.280 nan 0.000 0.526 276 V N -1.753 118.249 119.914 0.147 0.000 3.102 276 V HA 0.111 4.232 4.120 0.002 0.000 0.225 276 V C 0.487 176.571 176.094 -0.016 0.000 1.301 276 V CA -0.134 62.169 62.300 0.006 0.000 1.308 276 V CB 0.358 32.132 31.823 -0.080 0.000 1.129 276 V HN -0.064 nan 8.190 nan 0.000 0.502 277 L N 2.000 123.200 121.223 -0.038 0.000 2.313 277 L HA 0.687 5.028 4.340 0.002 0.000 0.282 277 L C -0.151 176.653 176.870 -0.110 0.000 1.092 277 L CA 0.137 54.941 54.840 -0.060 0.000 0.831 277 L CB 0.721 42.744 42.059 -0.060 0.000 1.159 277 L HN 0.331 nan 8.230 nan 0.000 0.442 278 A N 5.234 127.983 122.820 -0.118 0.000 2.459 278 A HA 0.830 5.151 4.320 0.002 0.000 0.296 278 A C -0.827 176.684 177.584 -0.123 0.000 1.039 278 A CA -0.757 51.121 52.037 -0.264 0.000 0.698 278 A CB 1.715 20.326 19.000 -0.650 0.000 1.261 278 A HN 0.833 nan 8.150 nan 0.000 0.405 279 R N -0.107 120.335 120.500 -0.097 0.000 2.799 279 R HA 0.643 4.984 4.340 0.002 0.000 0.270 279 R C 0.540 176.877 176.300 0.061 0.000 1.010 279 R CA -0.063 56.063 56.100 0.042 0.000 0.916 279 R CB 0.849 31.166 30.300 0.028 0.000 1.228 279 R HN 0.675 nan 8.270 nan 0.000 0.469 280 T N -2.645 111.963 114.554 0.090 0.000 2.929 280 T HA -0.168 4.183 4.350 0.002 0.000 0.271 280 T C 1.037 175.638 174.700 -0.165 0.000 1.085 280 T CA 1.558 63.637 62.100 -0.034 0.000 1.125 280 T CB -0.443 68.347 68.868 -0.130 0.000 0.874 280 T HN 0.750 nan 8.240 nan 0.000 0.494 281 D N 1.437 121.784 120.400 -0.089 0.000 2.350 281 D HA -0.020 4.621 4.640 0.002 0.000 0.213 281 D C 1.824 178.003 176.300 -0.202 0.000 1.031 281 D CA 1.066 55.025 54.000 -0.068 0.000 0.861 281 D CB -0.453 40.400 40.800 0.088 0.000 0.926 281 D HN 0.641 nan 8.370 nan 0.000 0.520 282 T N -3.416 110.981 114.554 -0.263 0.000 2.969 282 T HA 0.534 4.885 4.350 0.002 0.000 0.250 282 T C 0.773 175.272 174.700 -0.335 0.000 1.021 282 T CA 0.129 61.949 62.100 -0.467 0.000 1.003 282 T CB 0.379 69.018 68.868 -0.381 0.000 1.040 282 T HN 0.218 nan 8.240 nan 0.000 0.492 283 A N 2.061 124.753 122.820 -0.212 0.000 2.365 283 A HA 0.736 5.057 4.320 0.002 0.000 0.318 283 A C 0.317 177.886 177.584 -0.026 0.000 1.091 283 A CA -0.608 51.322 52.037 -0.177 0.000 0.763 283 A CB 1.361 20.136 19.000 -0.375 0.000 1.248 283 A HN 0.480 nan 8.150 nan 0.000 0.442 284 T N -0.942 113.614 114.554 0.003 0.000 2.847 284 T HA 0.309 4.660 4.350 0.002 0.000 0.279 284 T C 0.337 175.168 174.700 0.218 0.000 0.984 284 T CA -0.110 62.037 62.100 0.078 0.000 0.988 284 T CB 0.628 69.519 68.868 0.039 0.000 1.040 284 T HN 0.459 nan 8.240 nan 0.000 0.528 285 D N 0.017 120.522 120.400 0.175 0.000 2.133 285 D HA -0.143 4.498 4.640 0.002 0.000 0.195 285 D C 1.876 178.251 176.300 0.125 0.000 0.997 285 D CA 1.412 55.487 54.000 0.125 0.000 0.840 285 D CB -0.168 40.656 40.800 0.039 0.000 0.947 285 D HN 0.728 nan 8.370 nan 0.000 0.452 286 K N 0.669 121.126 120.400 0.095 0.000 2.057 286 K HA -0.169 4.153 4.320 0.002 0.000 0.207 286 K C 1.386 178.054 176.600 0.112 0.000 1.049 286 K CA 1.399 57.739 56.287 0.088 0.000 0.931 286 K CB 0.092 32.629 32.500 0.060 0.000 0.714 286 K HN -0.044 nan 8.250 nan 0.000 0.440 287 D N 0.022 120.472 120.400 0.084 0.000 2.104 287 D HA -0.183 4.458 4.640 0.002 0.000 0.194 287 D C 1.913 178.257 176.300 0.074 0.000 0.994 287 D CA 1.339 55.363 54.000 0.040 0.000 0.830 287 D CB -0.525 40.223 40.800 -0.086 0.000 0.959 287 D HN 0.297 nan 8.370 nan 0.000 0.452 288 Y N 0.985 121.294 120.300 0.015 0.000 2.128 288 Y HA -0.141 4.410 4.550 0.002 0.000 0.284 288 Y C 2.568 178.643 175.900 0.290 0.000 1.154 288 Y CA 0.894 58.982 58.100 -0.020 0.000 1.149 288 Y CB -0.416 37.758 38.460 -0.476 0.000 0.976 288 Y HN -0.051 nan 8.280 nan 0.000 0.505 289 L N -0.697 120.714 121.223 0.313 0.000 2.141 289 L HA -0.202 4.139 4.340 0.002 0.000 0.209 289 L C 1.771 178.786 176.870 0.241 0.000 1.094 289 L CA 1.028 56.030 54.840 0.270 0.000 0.763 289 L CB -0.449 41.705 42.059 0.159 0.000 0.908 289 L HN 0.201 nan 8.230 nan 0.000 0.437 290 D N 0.378 120.918 120.400 0.234 0.000 2.123 290 D HA -0.103 4.538 4.640 0.002 0.000 0.200 290 D C 2.304 178.770 176.300 0.278 0.000 0.976 290 D CA 1.127 55.268 54.000 0.235 0.000 0.831 290 D CB 0.030 41.025 40.800 0.325 0.000 0.974 290 D HN 0.268 nan 8.370 nan 0.000 0.469 291 I N 1.042 121.827 120.570 0.358 0.000 2.179 291 I HA -0.242 3.929 4.170 0.002 0.000 0.242 291 I C 2.461 178.714 176.117 0.227 0.000 1.088 291 I CA 1.097 62.601 61.300 0.339 0.000 1.357 291 I CB -0.152 38.062 38.000 0.357 0.000 1.051 291 I HN 0.016 nan 8.210 nan 0.000 0.409 292 E N 1.567 121.943 120.200 0.293 0.000 2.058 292 E HA -0.309 4.042 4.350 0.002 0.000 0.194 292 E C 2.403 179.147 176.600 0.240 0.000 0.997 292 E CA 1.757 58.270 56.400 0.188 0.000 0.801 292 E CB -0.101 29.753 29.700 0.257 0.000 0.746 292 E HN 0.461 nan 8.360 nan 0.000 0.450 293 R N 0.117 120.733 120.500 0.192 0.000 2.092 293 R HA -0.093 4.248 4.340 0.002 0.000 0.231 293 R C 2.119 178.484 176.300 0.109 0.000 1.119 293 R CA 1.624 57.831 56.100 0.177 0.000 0.970 293 R CB -0.487 29.869 30.300 0.095 0.000 0.864 293 R HN 0.109 nan 8.270 nan 0.000 0.440 294 V N 1.612 121.538 119.914 0.020 0.000 2.407 294 V HA -0.152 3.969 4.120 0.002 0.000 0.245 294 V C 2.614 178.789 176.094 0.136 0.000 1.041 294 V CA 1.028 63.285 62.300 -0.071 0.000 1.040 294 V CB -0.331 31.240 31.823 -0.420 0.000 0.671 294 V HN 0.248 nan 8.190 nan 0.000 0.455 295 I N 1.369 122.079 120.570 0.233 0.000 2.118 295 I HA -0.230 3.941 4.170 0.002 0.000 0.241 295 I C 2.635 178.677 176.117 -0.124 0.000 1.070 295 I CA 2.286 63.678 61.300 0.153 0.000 1.327 295 I CB -1.775 36.159 38.000 -0.109 0.000 1.034 295 I HN 0.403 nan 8.210 nan 0.000 0.405 296 G N -0.419 108.206 108.800 -0.290 0.000 2.459 296 G HA2 -0.342 3.619 3.960 0.002 0.000 0.217 296 G HA3 -0.342 3.619 3.960 0.002 0.000 0.217 296 G C 1.625 175.896 174.900 -1.048 0.000 1.183 296 G CA 1.391 45.888 45.100 -1.006 0.000 0.776 296 G HN 0.472 nan 8.290 nan 0.000 0.552 297 H N 0.757 119.608 119.070 -0.365 0.000 2.289 297 H HA -0.109 4.448 4.556 0.002 0.000 0.294 297 H C 2.567 177.804 175.328 -0.151 0.000 1.095 297 H CA 2.247 58.202 56.048 -0.154 0.000 1.256 297 H CB 0.170 29.903 29.762 -0.049 0.000 1.359 297 H HN 0.272 nan 8.280 nan 0.000 0.487 298 E N -0.299 119.962 120.200 0.102 0.000 2.106 298 E HA -0.197 4.154 4.350 0.002 0.000 0.192 298 E C 2.116 178.789 176.600 0.121 0.000 0.984 298 E CA 1.001 57.525 56.400 0.206 0.000 0.806 298 E CB -0.813 29.027 29.700 0.233 0.000 0.750 298 E HN 0.625 nan 8.360 nan 0.000 0.458 299 Y N 1.027 121.234 120.300 -0.155 0.000 2.128 299 Y HA -0.251 4.300 4.550 0.002 0.000 0.284 299 Y C 1.990 177.838 175.900 -0.087 0.000 1.154 299 Y CA 1.467 59.439 58.100 -0.214 0.000 1.149 299 Y CB -0.400 37.699 38.460 -0.603 0.000 0.976 299 Y HN -0.106 nan 8.280 nan 0.000 0.505 300 F N -0.694 119.171 119.950 -0.142 0.000 2.216 300 F HA -0.196 4.332 4.527 0.002 0.000 0.300 300 F C 2.519 178.219 175.800 -0.166 0.000 1.085 300 F CA 1.328 59.212 58.000 -0.193 0.000 1.326 300 F CB -1.363 37.529 39.000 -0.180 0.000 1.027 300 F HN 0.224 nan 8.300 nan 0.000 0.497 301 H N -0.125 118.931 119.070 -0.022 0.000 2.489 301 H HA -0.149 4.408 4.556 0.002 0.000 0.295 301 H C 2.018 177.313 175.328 -0.054 0.000 1.082 301 H CA 1.200 57.238 56.048 -0.017 0.000 1.295 301 H CB -0.596 29.160 29.762 -0.009 0.000 1.380 301 H HN 0.244 nan 8.280 nan 0.000 0.548 302 N N -0.029 118.647 118.700 -0.040 0.000 2.137 302 N HA -0.195 4.546 4.740 0.002 0.000 0.190 302 N C 1.562 176.832 175.510 -0.400 0.000 1.017 302 N CA 1.608 54.517 53.050 -0.235 0.000 0.859 302 N CB -0.143 38.166 38.487 -0.297 0.000 1.002 302 N HN 0.286 nan 8.380 nan 0.000 0.428 303 W N -0.493 120.742 121.300 -0.108 0.000 2.644 303 W HA 0.226 4.887 4.660 0.002 0.000 0.279 303 W C 0.752 177.385 176.519 0.191 0.000 1.164 303 W CA 0.731 58.023 57.345 -0.088 0.000 1.457 303 W CB -0.566 28.728 29.460 -0.277 0.000 1.087 303 W HN -0.044 nan 8.180 nan 0.000 0.573 304 T N -1.221 113.601 114.554 0.446 0.000 3.579 304 T HA 0.629 4.980 4.350 0.002 0.000 0.328 304 T C 0.653 175.580 174.700 0.379 0.000 1.481 304 T CA 0.273 62.635 62.100 0.437 0.000 1.144 304 T CB 0.005 69.054 68.868 0.302 0.000 1.205 304 T HN 0.330 nan 8.240 nan 0.000 0.812 305 G N 3.002 111.993 108.800 0.317 0.000 3.675 305 G HA2 -0.180 3.781 3.960 0.002 0.000 0.206 305 G HA3 -0.180 3.781 3.960 0.002 0.000 0.206 305 G C 0.789 175.766 174.900 0.129 0.000 1.086 305 G CA -0.138 45.120 45.100 0.263 0.000 0.894 305 G HN 0.490 nan 8.290 nan 0.000 0.412 306 N N 0.536 119.246 118.700 0.016 0.000 2.418 306 N HA 0.169 4.910 4.740 0.002 0.000 0.199 306 N C 2.054 177.445 175.510 -0.199 0.000 1.044 306 N CA 0.643 53.606 53.050 -0.145 0.000 0.943 306 N CB -0.341 37.996 38.487 -0.250 0.000 1.154 306 N HN 0.065 nan 8.380 nan 0.000 0.467 307 R N 0.651 120.950 120.500 -0.335 0.000 2.105 307 R HA 0.057 4.398 4.340 0.002 0.000 0.239 307 R C -0.057 176.218 176.300 -0.043 0.000 1.135 307 R CA 0.567 56.454 56.100 -0.355 0.000 0.967 307 R CB -0.409 29.396 30.300 -0.825 0.000 0.861 307 R HN 0.110 nan 8.270 nan 0.000 0.442 308 V N 0.830 120.802 119.914 0.096 0.000 2.444 308 V HA 0.215 4.336 4.120 0.002 0.000 0.294 308 V C 0.359 176.528 176.094 0.124 0.000 1.022 308 V CA -0.490 61.876 62.300 0.110 0.000 0.850 308 V CB 1.909 33.770 31.823 0.065 0.000 0.992 308 V HN 0.102 nan 8.190 nan 0.000 0.426 309 T N 3.440 118.042 114.554 0.080 0.000 2.864 309 T HA 0.426 4.777 4.350 0.002 0.000 0.276 309 T C -0.321 174.406 174.700 0.045 0.000 1.006 309 T CA -0.296 61.863 62.100 0.098 0.000 0.970 309 T CB 1.357 70.287 68.868 0.103 0.000 1.420 309 T HN 0.700 nan 8.240 nan 0.000 0.601 310 C N 2.222 121.506 119.300 -0.026 0.000 2.319 310 C HA 0.510 4.971 4.460 0.002 0.000 0.335 310 C C 1.963 176.825 174.990 -0.214 0.000 1.274 310 C CA -0.709 58.222 59.018 -0.146 0.000 1.806 310 C CB 0.516 28.085 27.740 -0.284 0.000 2.329 310 C HN 1.031 nan 8.230 nan 0.000 0.524 311 R N 1.378 121.766 120.500 -0.187 0.000 2.096 311 R HA -0.094 4.247 4.340 0.002 0.000 0.235 311 R C 0.041 176.199 176.300 -0.237 0.000 1.127 311 R CA 2.028 58.004 56.100 -0.208 0.000 0.968 311 R CB 0.149 30.271 30.300 -0.297 0.000 0.861 311 R HN 1.000 nan 8.270 nan 0.000 0.440 312 D N -4.777 115.454 120.400 -0.281 0.000 2.665 312 D HA 0.058 4.699 4.640 0.002 0.000 0.287 312 D C -0.363 175.745 176.300 -0.321 0.000 1.266 312 D CA -0.801 53.052 54.000 -0.246 0.000 0.830 312 D CB -0.478 40.366 40.800 0.073 0.000 1.356 312 D HN -0.038 nan 8.370 nan 0.000 0.437 313 W N -0.930 120.287 121.300 -0.138 0.000 2.678 313 W HA 0.137 4.798 4.660 0.002 0.000 0.256 313 W C 1.120 177.426 176.519 -0.355 0.000 1.280 313 W CA -0.419 56.757 57.345 -0.281 0.000 1.345 313 W CB -0.195 29.066 29.460 -0.330 0.000 1.118 313 W HN 0.290 nan 8.180 nan 0.000 0.629 314 F N 0.283 120.278 119.950 0.076 0.000 2.365 314 F HA -0.174 4.354 4.527 0.002 0.000 0.300 314 F C 2.119 177.931 175.800 0.020 0.000 1.090 314 F CA 0.916 58.920 58.000 0.008 0.000 1.408 314 F CB -0.687 38.303 39.000 -0.016 0.000 1.060 314 F HN -0.093 nan 8.300 nan 0.000 0.534 315 Q N 0.420 120.296 119.800 0.126 0.000 2.282 315 Q HA 0.061 4.402 4.340 0.002 0.000 0.205 315 Q C 2.051 178.082 176.000 0.053 0.000 0.915 315 Q CA 0.061 55.904 55.803 0.066 0.000 0.949 315 Q CB -0.432 28.294 28.738 -0.019 0.000 1.035 315 Q HN 0.415 nan 8.270 nan 0.000 0.484 316 L N 0.669 121.937 121.223 0.074 0.000 2.051 316 L HA -0.207 4.134 4.340 0.002 0.000 0.214 316 L C 2.157 179.030 176.870 0.006 0.000 1.076 316 L CA 1.926 56.799 54.840 0.055 0.000 0.758 316 L CB -0.818 41.215 42.059 -0.043 0.000 0.890 316 L HN 0.128 nan 8.230 nan 0.000 0.433 317 S N -1.307 114.410 115.700 0.029 0.000 2.442 317 S HA -0.148 4.323 4.470 0.002 0.000 0.236 317 S C 1.939 176.532 174.600 -0.012 0.000 1.007 317 S CA 1.073 59.278 58.200 0.008 0.000 0.965 317 S CB -0.542 62.699 63.200 0.068 0.000 0.773 317 S HN 0.473 nan 8.310 nan 0.000 0.504 318 L N 2.504 123.731 121.223 0.008 0.000 2.051 318 L HA -0.202 4.139 4.340 0.002 0.000 0.214 318 L C 2.147 178.956 176.870 -0.102 0.000 1.076 318 L CA 2.512 57.303 54.840 -0.082 0.000 0.758 318 L CB -0.609 41.438 42.059 -0.020 0.000 0.890 318 L HN 0.480 nan 8.230 nan 0.000 0.433 319 K N -2.650 117.757 120.400 0.012 0.000 2.202 319 K HA 0.026 4.347 4.320 0.002 0.000 0.201 319 K C 1.729 178.372 176.600 0.071 0.000 1.051 319 K CA 0.586 56.935 56.287 0.105 0.000 0.977 319 K CB -0.323 32.321 32.500 0.239 0.000 0.792 319 K HN 0.184 nan 8.250 nan 0.000 0.469 320 E N 1.454 121.633 120.200 -0.035 0.000 2.076 320 E HA -0.036 4.315 4.350 0.002 0.000 0.190 320 E C 2.278 178.772 176.600 -0.178 0.000 0.979 320 E CA 1.400 57.661 56.400 -0.231 0.000 0.807 320 E CB -0.475 28.773 29.700 -0.754 0.000 0.761 320 E HN 0.528 nan 8.360 nan 0.000 0.454 321 G N 1.634 110.366 108.800 -0.114 0.000 2.421 321 G HA2 -0.235 3.726 3.960 0.002 0.000 0.216 321 G HA3 -0.235 3.726 3.960 0.002 0.000 0.216 321 G C 1.606 176.507 174.900 0.002 0.000 1.171 321 G CA 0.828 45.906 45.100 -0.036 0.000 0.775 321 G HN 0.231 nan 8.290 nan 0.000 0.543 322 L N 0.832 122.005 121.223 -0.083 0.000 2.109 322 L HA 0.092 4.433 4.340 0.002 0.000 0.207 322 L C 2.767 179.664 176.870 0.045 0.000 1.086 322 L CA 2.348 57.163 54.840 -0.043 0.000 0.760 322 L CB -0.783 41.114 42.059 -0.269 0.000 0.910 322 L HN 0.162 nan 8.230 nan 0.000 0.437 323 T N -1.462 113.040 114.554 -0.086 0.000 2.942 323 T HA -0.075 4.276 4.350 0.002 0.000 0.265 323 T C 1.980 176.629 174.700 -0.086 0.000 1.062 323 T CA 1.279 63.225 62.100 -0.257 0.000 1.139 323 T CB -0.186 68.162 68.868 -0.867 0.000 0.883 323 T HN 0.159 nan 8.240 nan 0.000 0.468 324 V N 1.381 121.355 119.914 0.100 0.000 2.343 324 V HA -0.123 3.998 4.120 0.002 0.000 0.247 324 V C 1.992 178.201 176.094 0.193 0.000 1.051 324 V CA 1.540 63.990 62.300 0.251 0.000 1.036 324 V CB -0.725 31.255 31.823 0.262 0.000 0.654 324 V HN 0.447 nan 8.190 nan 0.000 0.451 325 F N 1.368 121.348 119.950 0.050 0.000 2.095 325 F HA -0.236 4.292 4.527 0.002 0.000 0.298 325 F C 2.530 178.368 175.800 0.062 0.000 1.104 325 F CA 1.941 59.968 58.000 0.045 0.000 1.232 325 F CB -0.284 38.751 39.000 0.058 0.000 0.987 325 F HN -0.023 nan 8.300 nan 0.000 0.475 326 R N 0.262 120.782 120.500 0.034 0.000 2.081 326 R HA -0.175 4.166 4.340 0.002 0.000 0.235 326 R C 2.028 178.219 176.300 -0.181 0.000 1.131 326 R CA 1.754 57.778 56.100 -0.127 0.000 0.960 326 R CB -0.777 29.366 30.300 -0.261 0.000 0.856 326 R HN 0.562 nan 8.270 nan 0.000 0.436 327 D N 0.009 120.468 120.400 0.098 0.000 2.178 327 D HA -0.190 4.451 4.640 0.002 0.000 0.202 327 D C 1.604 177.939 176.300 0.058 0.000 0.974 327 D CA 1.245 55.402 54.000 0.262 0.000 0.841 327 D CB -0.165 40.856 40.800 0.367 0.000 0.953 327 D HN 0.254 nan 8.370 nan 0.000 0.478 328 Q N -0.318 119.449 119.800 -0.055 0.000 2.079 328 Q HA -0.107 4.234 4.340 0.002 0.000 0.200 328 Q C 2.026 177.878 176.000 -0.247 0.000 0.974 328 Q CA 1.137 56.858 55.803 -0.136 0.000 0.840 328 Q CB -0.020 28.639 28.738 -0.132 0.000 0.898 328 Q HN 0.338 nan 8.270 nan 0.000 0.430 329 E N 0.396 120.382 120.200 -0.357 0.000 2.077 329 E HA -0.170 4.181 4.350 0.002 0.000 0.193 329 E C 1.701 178.130 176.600 -0.285 0.000 0.989 329 E CA 0.755 56.990 56.400 -0.275 0.000 0.800 329 E CB -0.283 29.300 29.700 -0.196 0.000 0.746 329 E HN 0.269 nan 8.360 nan 0.000 0.452 330 F N 2.136 121.507 119.950 -0.966 0.000 2.046 330 F HA -0.210 4.318 4.527 0.002 0.000 0.297 330 F C 2.425 177.838 175.800 -0.646 0.000 1.123 330 F CA 1.745 58.850 58.000 -1.491 0.000 1.199 330 F CB -0.608 37.629 39.000 -1.272 0.000 0.972 330 F HN -0.126 nan 8.300 nan 0.000 0.474 331 S N -0.170 115.211 115.700 -0.531 0.000 2.383 331 S HA -0.191 4.280 4.470 0.002 0.000 0.229 331 S C 2.194 176.565 174.600 -0.381 0.000 1.030 331 S CA 1.477 59.393 58.200 -0.472 0.000 1.002 331 S CB -0.594 62.475 63.200 -0.218 0.000 0.829 331 S HN 0.456 nan 8.310 nan 0.000 0.467 332 S N 1.370 116.892 115.700 -0.296 0.000 2.371 332 S HA -0.076 4.395 4.470 0.002 0.000 0.224 332 S C 1.529 176.006 174.600 -0.205 0.000 1.029 332 S CA 0.978 59.042 58.200 -0.226 0.000 0.978 332 S CB -0.390 62.703 63.200 -0.179 0.000 0.833 332 S HN 0.424 nan 8.310 nan 0.000 0.466 333 D N 1.266 121.562 120.400 -0.172 0.000 2.097 333 D HA -0.015 4.626 4.640 0.002 0.000 0.197 333 D C 1.754 177.974 176.300 -0.134 0.000 0.984 333 D CA 0.803 54.772 54.000 -0.052 0.000 0.826 333 D CB -0.281 40.646 40.800 0.212 0.000 0.973 333 D HN 0.177 nan 8.370 nan 0.000 0.460 334 L N -0.196 120.855 121.223 -0.286 0.000 2.156 334 L HA 0.147 4.488 4.340 0.002 0.000 0.208 334 L C 1.694 178.280 176.870 -0.474 0.000 1.095 334 L CA 1.003 55.672 54.840 -0.285 0.000 0.770 334 L CB -0.568 41.262 42.059 -0.381 0.000 0.914 334 L HN -0.007 nan 8.230 nan 0.000 0.439 335 G N -2.566 105.844 108.800 -0.650 0.000 3.099 335 G HA2 0.298 4.259 3.960 0.002 0.000 0.151 335 G HA3 0.298 4.259 3.960 0.002 0.000 0.151 335 G C -0.716 173.862 174.900 -0.537 0.000 1.265 335 G CA -0.040 44.371 45.100 -1.148 0.000 0.981 335 G HN -0.036 nan 8.290 nan 0.000 0.601 336 S N -0.601 114.883 115.700 -0.359 0.000 2.416 336 S HA 0.196 4.667 4.470 0.002 0.000 0.287 336 S C 1.468 175.973 174.600 -0.158 0.000 1.139 336 S CA -0.296 57.793 58.200 -0.185 0.000 1.058 336 S CB 0.905 64.039 63.200 -0.109 0.000 0.967 336 S HN 0.582 nan 8.310 nan 0.000 0.495 337 R N 4.355 124.777 120.500 -0.131 0.000 2.081 337 R HA -0.095 4.246 4.340 0.002 0.000 0.235 337 R C 2.174 178.424 176.300 -0.084 0.000 1.131 337 R CA 1.828 57.862 56.100 -0.110 0.000 0.960 337 R CB -0.658 29.592 30.300 -0.083 0.000 0.856 337 R HN 0.771 nan 8.270 nan 0.000 0.436 338 A N 0.163 122.949 122.820 -0.057 0.000 1.883 338 A HA -0.121 4.200 4.320 0.002 0.000 0.217 338 A C 2.268 179.803 177.584 -0.080 0.000 1.186 338 A CA 1.739 53.761 52.037 -0.026 0.000 0.624 338 A CB -0.623 18.374 19.000 -0.006 0.000 0.822 338 A HN 0.237 nan 8.150 nan 0.000 0.444 339 V N 0.979 120.828 119.914 -0.108 0.000 2.358 339 V HA -0.253 3.868 4.120 0.002 0.000 0.246 339 V C 2.330 178.332 176.094 -0.154 0.000 1.047 339 V CA 1.990 64.203 62.300 -0.146 0.000 1.035 339 V CB -0.946 30.814 31.823 -0.105 0.000 0.658 339 V HN 0.569 nan 8.190 nan 0.000 0.452 340 N N 0.268 118.890 118.700 -0.129 0.000 2.043 340 N HA -0.233 4.508 4.740 0.002 0.000 0.193 340 N C 2.065 177.496 175.510 -0.131 0.000 1.037 340 N CA 1.735 54.709 53.050 -0.126 0.000 0.851 340 N CB -0.286 38.123 38.487 -0.131 0.000 1.027 340 N HN 0.283 nan 8.380 nan 0.000 0.422 341 R N 1.486 121.913 120.500 -0.121 0.000 2.083 341 R HA 0.029 4.370 4.340 0.002 0.000 0.237 341 R C 2.272 178.500 176.300 -0.119 0.000 1.137 341 R CA 1.017 57.043 56.100 -0.123 0.000 0.951 341 R CB -0.822 29.402 30.300 -0.128 0.000 0.851 341 R HN 0.241 nan 8.270 nan 0.000 0.434 342 I N 0.774 121.253 120.570 -0.153 0.000 2.118 342 I HA -0.373 3.798 4.170 0.002 0.000 0.241 342 I C 1.837 177.658 176.117 -0.492 0.000 1.070 342 I CA 1.675 62.662 61.300 -0.521 0.000 1.327 342 I CB -0.451 36.974 38.000 -0.958 0.000 1.034 342 I HN 0.273 nan 8.210 nan 0.000 0.405 343 N N 0.827 119.333 118.700 -0.322 0.000 2.166 343 N HA -0.143 4.598 4.740 0.002 0.000 0.186 343 N C 1.532 176.952 175.510 -0.151 0.000 1.019 343 N CA 1.142 54.064 53.050 -0.213 0.000 0.856 343 N CB -0.522 37.880 38.487 -0.143 0.000 0.993 343 N HN 0.400 nan 8.380 nan 0.000 0.426 344 N N 0.566 119.184 118.700 -0.137 0.000 2.244 344 N HA -0.058 4.683 4.740 0.002 0.000 0.183 344 N C 1.835 177.258 175.510 -0.145 0.000 1.016 344 N CA 0.444 53.435 53.050 -0.099 0.000 0.866 344 N CB -0.299 38.149 38.487 -0.066 0.000 0.980 344 N HN 0.052 nan 8.380 nan 0.000 0.430 345 V N 1.528 121.317 119.914 -0.208 0.000 2.379 345 V HA -0.132 3.989 4.120 0.002 0.000 0.245 345 V C 2.306 178.232 176.094 -0.279 0.000 1.044 345 V CA 1.241 63.316 62.300 -0.376 0.000 1.036 345 V CB -0.345 31.310 31.823 -0.280 0.000 0.664 345 V HN 0.228 nan 8.190 nan 0.000 0.453 346 R N -0.131 120.289 120.500 -0.133 0.000 2.096 346 R HA -0.177 4.165 4.340 0.002 0.000 0.240 346 R C 2.419 178.660 176.300 -0.098 0.000 1.139 346 R CA 2.086 58.159 56.100 -0.045 0.000 0.952 346 R CB -0.809 29.482 30.300 -0.016 0.000 0.854 346 R HN 0.475 nan 8.270 nan 0.000 0.436 347 T N 0.919 115.411 114.554 -0.103 0.000 2.746 347 T HA -0.121 4.231 4.350 0.002 0.000 0.267 347 T C 1.846 176.479 174.700 -0.113 0.000 1.039 347 T CA 1.137 63.191 62.100 -0.077 0.000 1.142 347 T CB -0.031 68.811 68.868 -0.043 0.000 0.866 347 T HN 0.084 nan 8.240 nan 0.000 0.444 348 M N 0.958 120.447 119.600 -0.185 0.000 2.067 348 M HA 0.005 4.486 4.480 0.002 0.000 0.260 348 M C 2.357 178.291 176.300 -0.610 0.000 1.069 348 M CA 1.643 56.795 55.300 -0.247 0.000 1.117 348 M CB -0.945 31.544 32.600 -0.184 0.000 1.334 348 M HN 0.189 nan 8.290 nan 0.000 0.407 349 R N -0.835 119.209 120.500 -0.759 0.000 2.090 349 R HA -0.031 4.310 4.340 0.002 0.000 0.228 349 R C 2.281 178.385 176.300 -0.327 0.000 1.110 349 R CA 1.268 56.821 56.100 -0.912 0.000 0.973 349 R CB -0.553 29.454 30.300 -0.489 0.000 0.869 349 R HN 0.494 nan 8.270 nan 0.000 0.440 350 G N -0.336 108.364 108.800 -0.166 0.000 2.539 350 G HA2 0.005 3.966 3.960 0.002 0.000 0.215 350 G HA3 0.005 3.966 3.960 0.002 0.000 0.215 350 G C 1.239 176.149 174.900 0.017 0.000 1.141 350 G CA 0.078 45.160 45.100 -0.029 0.000 0.806 350 G HN 0.079 nan 8.290 nan 0.000 0.533 351 L N -1.484 119.739 121.223 0.000 0.000 2.641 351 L HA 0.222 4.563 4.340 0.002 0.000 0.207 351 L C 2.505 179.426 176.870 0.083 0.000 1.049 351 L CA 0.101 54.967 54.840 0.042 0.000 0.866 351 L CB -0.269 41.803 42.059 0.023 0.000 1.264 351 L HN 0.020 nan 8.230 nan 0.000 0.483 352 Q N 0.500 120.349 119.800 0.083 0.000 2.083 352 Q HA -0.132 4.209 4.340 0.002 0.000 0.198 352 Q C 2.252 178.440 176.000 0.313 0.000 0.969 352 Q CA 1.748 57.652 55.803 0.167 0.000 0.838 352 Q CB 0.003 28.845 28.738 0.172 0.000 0.900 352 Q HN 0.279 nan 8.270 nan 0.000 0.436 353 F N 0.796 120.802 119.950 0.093 0.000 2.126 353 F HA -0.153 4.375 4.527 0.002 0.000 0.299 353 F C 2.513 178.358 175.800 0.075 0.000 1.096 353 F CA 0.907 58.965 58.000 0.097 0.000 1.255 353 F CB -1.367 37.701 39.000 0.114 0.000 0.997 353 F HN 0.154 nan 8.300 nan 0.000 0.479 354 A N -0.386 122.596 122.820 0.269 0.000 1.902 354 A HA -0.249 4.072 4.320 0.002 0.000 0.217 354 A C 2.251 179.916 177.584 0.135 0.000 1.181 354 A CA 1.822 53.961 52.037 0.170 0.000 0.623 354 A CB -0.914 18.171 19.000 0.142 0.000 0.818 354 A HN 0.436 nan 8.150 nan 0.000 0.443 355 E N -0.520 119.758 120.200 0.131 0.000 2.077 355 E HA -0.234 4.117 4.350 0.002 0.000 0.193 355 E C 1.233 177.882 176.600 0.081 0.000 0.989 355 E CA 1.231 57.690 56.400 0.098 0.000 0.800 355 E CB -0.155 29.597 29.700 0.087 0.000 0.746 355 E HN 0.462 nan 8.360 nan 0.000 0.452 356 D N -0.550 119.902 120.400 0.087 0.000 2.310 356 D HA -0.050 4.591 4.640 0.002 0.000 0.212 356 D C 0.996 177.322 176.300 0.043 0.000 0.965 356 D CA 0.882 54.910 54.000 0.046 0.000 0.879 356 D CB 0.181 41.005 40.800 0.040 0.000 0.921 356 D HN 0.268 nan 8.370 nan 0.000 0.510 357 A N -0.089 122.769 122.820 0.064 0.000 2.345 357 A HA 0.220 4.541 4.320 0.002 0.000 0.225 357 A C 0.977 178.598 177.584 0.061 0.000 1.243 357 A CA -0.050 52.019 52.037 0.053 0.000 0.875 357 A CB 0.077 19.113 19.000 0.059 0.000 0.929 357 A HN 0.172 nan 8.150 nan 0.000 0.502 358 S N -1.286 114.457 115.700 0.072 0.000 2.718 358 S HA 0.565 5.036 4.470 0.002 0.000 0.300 358 S C -2.144 172.501 174.600 0.074 0.000 1.117 358 S CA -1.221 57.025 58.200 0.077 0.000 1.002 358 S CB 1.293 64.543 63.200 0.085 0.000 1.092 358 S HN -0.054 nan 8.310 nan 0.000 0.542 359 P HA 0.009 nan 4.420 nan 0.000 0.221 359 P C 1.010 178.357 177.300 0.079 0.000 1.145 359 P CA 1.028 64.167 63.100 0.064 0.000 0.795 359 P CB 0.051 31.779 31.700 0.047 0.000 0.775 360 M N -1.378 118.271 119.600 0.083 0.000 2.563 360 M HA 0.181 4.662 4.480 0.002 0.000 0.231 360 M C 0.536 176.977 176.300 0.235 0.000 1.136 360 M CA -0.609 54.753 55.300 0.103 0.000 1.026 360 M CB -1.191 31.428 32.600 0.031 0.000 1.597 360 M HN -0.207 nan 8.290 nan 0.000 0.495 361 A N 2.088 125.015 122.820 0.178 0.000 2.565 361 A HA 0.204 4.525 4.320 0.002 0.000 0.237 361 A C 0.101 177.855 177.584 0.283 0.000 1.053 361 A CA 0.569 52.700 52.037 0.156 0.000 0.755 361 A CB -0.236 18.818 19.000 0.089 0.000 0.980 361 A HN 0.676 nan 8.150 nan 0.000 0.506 362 H N -0.306 118.862 119.070 0.163 0.000 3.037 362 H HA 0.606 5.163 4.556 0.002 0.000 0.355 362 H C -3.427 172.008 175.328 0.178 0.000 1.263 362 H CA -2.366 53.809 56.048 0.211 0.000 1.129 362 H CB 0.626 30.604 29.762 0.359 0.000 1.861 362 H HN 0.352 nan 8.280 nan 0.000 0.546 363 P HA 0.108 nan 4.420 nan 0.000 0.272 363 P C 1.698 179.126 177.300 0.214 0.000 1.240 363 P CA -0.469 62.729 63.100 0.163 0.000 0.791 363 P CB 1.084 32.889 31.700 0.175 0.000 0.978 364 I N -1.512 119.139 120.570 0.135 0.000 2.454 364 I HA -0.084 4.087 4.170 0.002 0.000 0.254 364 I C 1.082 177.330 176.117 0.218 0.000 1.156 364 I CA 1.195 62.578 61.300 0.139 0.000 1.433 364 I CB -0.296 37.696 38.000 -0.014 0.000 1.082 364 I HN 0.141 nan 8.210 nan 0.000 0.432 365 R N 2.749 123.401 120.500 0.253 0.000 2.278 365 R HA 0.448 4.789 4.340 0.002 0.000 0.322 365 R C -2.621 173.834 176.300 0.258 0.000 1.058 365 R CA -2.044 54.222 56.100 0.277 0.000 0.991 365 R CB 0.736 31.228 30.300 0.320 0.000 1.140 365 R HN 0.071 nan 8.270 nan 0.000 0.518 366 P HA 0.050 nan 4.420 nan 0.000 0.270 366 P C -0.499 176.917 177.300 0.193 0.000 1.223 366 P CA -0.088 63.149 63.100 0.229 0.000 0.785 366 P CB 0.843 32.554 31.700 0.017 0.000 0.923 367 D N 0.037 120.500 120.400 0.106 0.000 2.388 367 D HA 0.128 4.769 4.640 0.002 0.000 0.208 367 D C 0.512 176.751 176.300 -0.101 0.000 1.035 367 D CA 0.963 54.946 54.000 -0.027 0.000 0.875 367 D CB 0.382 41.229 40.800 0.078 0.000 0.984 367 D HN 0.293 nan 8.370 nan 0.000 0.508 368 M N 1.100 120.692 119.600 -0.013 0.000 2.277 368 M HA 0.367 4.848 4.480 0.002 0.000 0.282 368 M C -2.365 173.828 176.300 -0.178 0.000 1.074 368 M CA -0.461 54.737 55.300 -0.171 0.000 0.954 368 M CB 2.476 34.991 32.600 -0.142 0.000 1.672 368 M HN -0.398 nan 8.290 nan 0.000 0.471 369 V N 5.965 125.764 119.914 -0.191 0.000 2.686 369 V HA 0.411 4.532 4.120 0.002 0.000 0.306 369 V C 0.159 176.198 176.094 -0.093 0.000 1.065 369 V CA -0.361 61.749 62.300 -0.317 0.000 0.894 369 V CB 2.179 33.636 31.823 -0.610 0.000 1.004 369 V HN 0.990 nan 8.190 nan 0.000 0.424 370 I N 1.790 122.402 120.570 0.071 0.000 2.512 370 I HA 0.207 4.378 4.170 0.002 0.000 0.247 370 I C 0.745 176.921 176.117 0.098 0.000 1.094 370 I CA 0.621 61.978 61.300 0.096 0.000 1.427 370 I CB 0.443 38.549 38.000 0.176 0.000 1.149 370 I HN 0.607 nan 8.210 nan 0.000 0.438 371 E N 0.856 121.153 120.200 0.162 0.000 2.145 371 E HA 0.173 4.524 4.350 0.002 0.000 0.262 371 E C 0.442 177.144 176.600 0.170 0.000 0.883 371 E CA -0.397 56.075 56.400 0.119 0.000 0.748 371 E CB 1.374 31.132 29.700 0.097 0.000 1.140 371 E HN 0.111 nan 8.360 nan 0.000 0.417 372 M N 4.031 123.666 119.600 0.058 0.000 2.279 372 M HA -0.036 4.445 4.480 0.002 0.000 0.264 372 M C 0.565 176.975 176.300 0.183 0.000 1.062 372 M CA 1.550 56.878 55.300 0.046 0.000 1.099 372 M CB -0.246 32.246 32.600 -0.181 0.000 1.394 372 M HN 0.464 nan 8.290 nan 0.000 0.426 373 N N 0.570 119.313 118.700 0.073 0.000 2.443 373 N HA -0.106 4.635 4.740 0.002 0.000 0.184 373 N C 0.897 176.472 175.510 0.109 0.000 1.037 373 N CA 0.824 53.899 53.050 0.041 0.000 0.896 373 N CB -0.654 37.761 38.487 -0.119 0.000 0.959 373 N HN 0.459 nan 8.380 nan 0.000 0.442 374 N N -0.145 118.608 118.700 0.087 0.000 2.550 374 N HA -0.015 4.726 4.740 0.002 0.000 0.186 374 N C 0.194 175.487 175.510 -0.362 0.000 1.110 374 N CA 0.377 53.349 53.050 -0.130 0.000 0.912 374 N CB -0.104 38.244 38.487 -0.232 0.000 0.968 374 N HN 0.277 nan 8.380 nan 0.000 0.448 375 F N -1.026 118.921 119.950 -0.005 0.000 2.647 375 F HA 0.228 4.756 4.527 0.002 0.000 0.300 375 F C -0.198 175.539 175.800 -0.106 0.000 1.106 375 F CA -0.519 57.404 58.000 -0.129 0.000 1.313 375 F CB 0.014 38.870 39.000 -0.240 0.000 1.007 375 F HN -0.118 nan 8.300 nan 0.000 0.536 376 Y N 1.375 121.734 120.300 0.099 0.000 2.724 376 Y HA 0.251 4.802 4.550 0.002 0.000 0.332 376 Y C 0.913 176.822 175.900 0.016 0.000 1.276 376 Y CA -0.922 57.277 58.100 0.165 0.000 1.597 376 Y CB -0.572 37.917 38.460 0.050 0.000 1.584 376 Y HN -0.025 nan 8.280 nan 0.000 0.478 377 T N -3.242 111.443 114.554 0.219 0.000 2.942 377 T HA 0.384 4.735 4.350 0.002 0.000 0.289 377 T C 1.056 175.860 174.700 0.174 0.000 1.044 377 T CA -0.910 61.283 62.100 0.156 0.000 1.023 377 T CB 1.209 70.248 68.868 0.284 0.000 1.123 377 T HN 0.378 nan 8.240 nan 0.000 0.512 378 L N 0.360 121.645 121.223 0.102 0.000 2.089 378 L HA -0.168 4.173 4.340 0.002 0.000 0.213 378 L C 2.950 179.918 176.870 0.163 0.000 1.079 378 L CA 1.794 56.702 54.840 0.113 0.000 0.758 378 L CB -1.100 41.007 42.059 0.081 0.000 0.891 378 L HN 0.849 nan 8.230 nan 0.000 0.433 379 T N -1.009 113.634 114.554 0.149 0.000 2.668 379 T HA -0.141 4.210 4.350 0.002 0.000 0.262 379 T C 1.973 176.776 174.700 0.172 0.000 1.045 379 T CA 1.424 63.575 62.100 0.085 0.000 1.152 379 T CB -0.249 68.489 68.868 -0.216 0.000 0.864 379 T HN 0.047 nan 8.240 nan 0.000 0.419 380 V N 0.174 120.265 119.914 0.295 0.000 2.343 380 V HA -0.165 3.956 4.120 0.002 0.000 0.247 380 V C 2.113 178.331 176.094 0.206 0.000 1.051 380 V CA 1.622 64.079 62.300 0.261 0.000 1.036 380 V CB -0.662 31.333 31.823 0.287 0.000 0.654 380 V HN 0.449 nan 8.190 nan 0.000 0.451 381 Y N 0.435 120.800 120.300 0.108 0.000 2.159 381 Y HA -0.052 4.499 4.550 0.002 0.000 0.285 381 Y C 2.585 178.546 175.900 0.101 0.000 1.106 381 Y CA 1.590 59.760 58.100 0.116 0.000 1.095 381 Y CB -0.615 37.913 38.460 0.113 0.000 1.015 381 Y HN 0.172 nan 8.280 nan 0.000 0.491 382 E N 0.249 120.619 120.200 0.282 0.000 2.028 382 E HA -0.129 4.222 4.350 0.002 0.000 0.190 382 E C 2.097 178.784 176.600 0.144 0.000 0.984 382 E CA 1.231 57.741 56.400 0.183 0.000 0.800 382 E CB -0.171 29.613 29.700 0.139 0.000 0.758 382 E HN 0.239 nan 8.360 nan 0.000 0.448 383 K N 0.089 120.572 120.400 0.138 0.000 2.097 383 K HA -0.096 4.225 4.320 0.002 0.000 0.206 383 K C 2.100 178.715 176.600 0.025 0.000 1.049 383 K CA 1.370 57.717 56.287 0.100 0.000 0.933 383 K CB -0.383 32.185 32.500 0.112 0.000 0.717 383 K HN 0.207 nan 8.250 nan 0.000 0.442 384 G N 0.643 109.466 108.800 0.040 0.000 2.476 384 G HA2 -0.324 3.638 3.960 0.002 0.000 0.218 384 G HA3 -0.324 3.638 3.960 0.002 0.000 0.218 384 G C 1.573 176.465 174.900 -0.014 0.000 1.164 384 G CA 1.077 46.166 45.100 -0.019 0.000 0.768 384 G HN 0.453 nan 8.290 nan 0.000 0.560 385 A N 0.531 123.389 122.820 0.064 0.000 1.933 385 A HA -0.005 4.316 4.320 0.002 0.000 0.218 385 A C 2.241 179.875 177.584 0.085 0.000 1.175 385 A CA 1.925 54.037 52.037 0.125 0.000 0.628 385 A CB -0.292 18.827 19.000 0.198 0.000 0.814 385 A HN 0.304 nan 8.150 nan 0.000 0.444 386 E N -0.020 120.207 120.200 0.044 0.000 2.110 386 E HA -0.121 4.230 4.350 0.002 0.000 0.193 386 E C 2.168 178.672 176.600 -0.159 0.000 0.988 386 E CA 1.291 57.679 56.400 -0.019 0.000 0.804 386 E CB -0.590 29.111 29.700 0.003 0.000 0.745 386 E HN 0.427 nan 8.360 nan 0.000 0.458 387 V N 1.802 121.595 119.914 -0.202 0.000 2.307 387 V HA -0.220 3.901 4.120 0.002 0.000 0.245 387 V C 2.374 178.448 176.094 -0.033 0.000 1.045 387 V CA 1.095 63.250 62.300 -0.242 0.000 1.024 387 V CB -0.379 31.223 31.823 -0.367 0.000 0.651 387 V HN 0.186 nan 8.190 nan 0.000 0.449 388 I N 0.282 120.813 120.570 -0.066 0.000 2.208 388 I HA -0.262 3.909 4.170 0.002 0.000 0.245 388 I C 2.582 178.466 176.117 -0.389 0.000 1.097 388 I CA 1.863 63.082 61.300 -0.135 0.000 1.363 388 I CB -1.273 36.572 38.000 -0.258 0.000 1.051 388 I HN 0.336 nan 8.210 nan 0.000 0.413 389 R N 0.481 120.765 120.500 -0.359 0.000 2.096 389 R HA -0.135 4.206 4.340 0.002 0.000 0.235 389 R C 2.402 178.622 176.300 -0.134 0.000 1.127 389 R CA 1.222 57.179 56.100 -0.238 0.000 0.968 389 R CB -0.084 30.258 30.300 0.070 0.000 0.861 389 R HN 0.243 nan 8.270 nan 0.000 0.440 390 M N 0.110 119.633 119.600 -0.127 0.000 2.108 390 M HA -0.196 4.285 4.480 0.002 0.000 0.261 390 M C 2.164 178.336 176.300 -0.214 0.000 1.066 390 M CA 1.680 56.912 55.300 -0.113 0.000 1.107 390 M CB -0.224 32.347 32.600 -0.048 0.000 1.356 390 M HN 0.208 nan 8.290 nan 0.000 0.406 391 I N -1.026 119.383 120.570 -0.267 0.000 2.163 391 I HA -0.372 3.799 4.170 0.002 0.000 0.243 391 I C 2.690 178.746 176.117 -0.102 0.000 1.085 391 I CA 1.399 62.507 61.300 -0.320 0.000 1.347 391 I CB -0.897 37.029 38.000 -0.124 0.000 1.044 391 I HN 0.416 nan 8.210 nan 0.000 0.408 392 H N 1.049 119.987 119.070 -0.220 0.000 2.352 392 H HA -0.166 4.391 4.556 0.002 0.000 0.299 392 H C 2.169 177.395 175.328 -0.170 0.000 1.097 392 H CA 2.197 58.047 56.048 -0.329 0.000 1.311 392 H CB 0.025 29.362 29.762 -0.707 0.000 1.377 392 H HN 0.250 nan 8.280 nan 0.000 0.504 393 T N 1.528 116.052 114.554 -0.050 0.000 2.746 393 T HA -0.101 4.250 4.350 0.002 0.000 0.267 393 T C 2.434 177.072 174.700 -0.103 0.000 1.039 393 T CA 1.220 63.286 62.100 -0.057 0.000 1.142 393 T CB -0.243 68.605 68.868 -0.033 0.000 0.866 393 T HN 0.242 nan 8.240 nan 0.000 0.444 394 L N -0.230 120.909 121.223 -0.140 0.000 2.141 394 L HA -0.010 4.331 4.340 0.002 0.000 0.209 394 L C 2.060 178.863 176.870 -0.112 0.000 1.094 394 L CA 0.760 55.522 54.840 -0.130 0.000 0.763 394 L CB -0.238 41.683 42.059 -0.230 0.000 0.908 394 L HN 0.221 nan 8.230 nan 0.000 0.437 395 L N -1.283 119.858 121.223 -0.137 0.000 2.357 395 L HA 0.338 4.679 4.340 0.002 0.000 0.211 395 L C 1.027 177.816 176.870 -0.135 0.000 1.075 395 L CA 0.757 55.531 54.840 -0.111 0.000 0.830 395 L CB -0.318 41.700 42.059 -0.069 0.000 0.996 395 L HN 0.247 nan 8.230 nan 0.000 0.467 396 G N -0.104 108.548 108.800 -0.246 0.000 2.758 396 G HA2 -0.283 3.678 3.960 0.002 0.000 0.686 396 G HA3 -0.283 3.678 3.960 0.002 0.000 0.686 396 G C 0.460 175.153 174.900 -0.344 0.000 1.389 396 G CA 0.161 45.081 45.100 -0.301 0.000 0.845 396 G HN 0.198 nan 8.290 nan 0.000 0.572 397 E N -0.096 119.913 120.200 -0.319 0.000 2.085 397 E HA -0.154 4.197 4.350 0.002 0.000 0.194 397 E C 2.146 178.736 176.600 -0.017 0.000 0.994 397 E CA 2.393 58.716 56.400 -0.128 0.000 0.801 397 E CB -0.176 29.532 29.700 0.014 0.000 0.743 397 E HN 0.706 nan 8.360 nan 0.000 0.453 398 E N -0.422 119.752 120.200 -0.043 0.000 2.051 398 E HA -0.223 4.128 4.350 0.002 0.000 0.192 398 E C 1.787 178.371 176.600 -0.027 0.000 0.991 398 E CA 1.327 57.708 56.400 -0.032 0.000 0.799 398 E CB -0.132 29.546 29.700 -0.037 0.000 0.748 398 E HN 0.237 nan 8.360 nan 0.000 0.449 399 N N -0.015 118.663 118.700 -0.036 0.000 2.188 399 N HA -0.146 4.595 4.740 0.002 0.000 0.184 399 N C 1.587 177.072 175.510 -0.041 0.000 1.018 399 N CA 0.797 53.818 53.050 -0.048 0.000 0.858 399 N CB -0.424 38.027 38.487 -0.060 0.000 0.989 399 N HN 0.202 nan 8.380 nan 0.000 0.426 400 F N 2.271 122.132 119.950 -0.149 0.000 2.102 400 F HA -0.166 4.362 4.527 0.001 0.000 0.298 400 F C 2.313 178.072 175.800 -0.069 0.000 1.105 400 F CA 1.388 59.319 58.000 -0.114 0.000 1.239 400 F CB -0.019 38.942 39.000 -0.064 0.000 0.991 400 F HN -0.029 nan 8.300 nan 0.000 0.474 401 Q N 0.737 120.580 119.800 0.072 0.000 2.124 401 Q HA -0.183 4.158 4.340 0.002 0.000 0.202 401 Q C 2.174 178.129 176.000 -0.075 0.000 0.977 401 Q CA 1.503 57.289 55.803 -0.028 0.000 0.850 401 Q CB -0.475 28.234 28.738 -0.049 0.000 0.901 401 Q HN 0.502 nan 8.270 nan 0.000 0.429 402 K N -0.170 120.182 120.400 -0.079 0.000 2.063 402 K HA -0.125 4.196 4.320 0.002 0.000 0.208 402 K C 2.136 178.658 176.600 -0.130 0.000 1.048 402 K CA 1.267 57.504 56.287 -0.083 0.000 0.928 402 K CB -0.391 32.065 32.500 -0.073 0.000 0.713 402 K HN 0.290 nan 8.250 nan 0.000 0.442 403 G N 1.433 110.098 108.800 -0.225 0.000 2.421 403 G HA2 -0.249 3.713 3.960 0.002 0.000 0.216 403 G HA3 -0.249 3.713 3.960 0.002 0.000 0.216 403 G C 1.475 176.171 174.900 -0.340 0.000 1.171 403 G CA 0.698 45.596 45.100 -0.336 0.000 0.775 403 G HN 0.057 nan 8.290 nan 0.000 0.543 404 M N 0.401 119.793 119.600 -0.346 0.000 2.080 404 M HA -0.123 4.358 4.480 0.002 0.000 0.260 404 M C 2.635 178.889 176.300 -0.077 0.000 1.068 404 M CA 1.371 56.550 55.300 -0.203 0.000 1.109 404 M CB -1.343 31.290 32.600 0.056 0.000 1.342 404 M HN 0.359 nan 8.290 nan 0.000 0.405 405 Q N -0.321 119.494 119.800 0.024 0.000 2.084 405 Q HA -0.170 4.171 4.340 0.002 0.000 0.202 405 Q C 2.098 178.137 176.000 0.065 0.000 0.978 405 Q CA 1.132 56.999 55.803 0.106 0.000 0.844 405 Q CB -0.308 28.458 28.738 0.047 0.000 0.898 405 Q HN 0.311 nan 8.270 nan 0.000 0.426 406 L N -0.300 120.919 121.223 -0.008 0.000 2.093 406 L HA -0.165 4.176 4.340 0.002 0.000 0.208 406 L C 2.124 179.008 176.870 0.024 0.000 1.085 406 L CA 1.614 56.448 54.840 -0.011 0.000 0.755 406 L CB -0.691 41.339 42.059 -0.049 0.000 0.904 406 L HN 0.208 nan 8.230 nan 0.000 0.435 407 Y N -0.342 119.869 120.300 -0.149 0.000 2.081 407 Y HA -0.324 4.226 4.550 0.002 0.000 0.280 407 Y C 2.156 178.061 175.900 0.008 0.000 1.163 407 Y CA 2.052 60.099 58.100 -0.088 0.000 1.135 407 Y CB -0.710 37.577 38.460 -0.290 0.000 0.970 407 Y HN 0.219 nan 8.280 nan 0.000 0.498 408 F N 0.610 120.595 119.950 0.058 0.000 2.146 408 F HA -0.100 4.428 4.527 0.002 0.000 0.298 408 F C 2.605 178.395 175.800 -0.016 0.000 1.096 408 F CA 1.639 59.630 58.000 -0.014 0.000 1.275 408 F CB -1.141 37.889 39.000 0.050 0.000 1.008 408 F HN 0.155 nan 8.300 nan 0.000 0.480 409 E N 0.317 120.606 120.200 0.148 0.000 2.085 409 E HA -0.218 4.133 4.350 0.002 0.000 0.194 409 E C 2.354 178.933 176.600 -0.035 0.000 0.994 409 E CA 1.450 57.885 56.400 0.059 0.000 0.801 409 E CB 0.026 29.743 29.700 0.028 0.000 0.743 409 E HN 0.331 nan 8.360 nan 0.000 0.453 410 R N -1.122 119.285 120.500 -0.155 0.000 2.093 410 R HA -0.016 4.325 4.340 0.002 0.000 0.224 410 R C 1.683 177.684 176.300 -0.498 0.000 1.101 410 R CA 1.201 57.057 56.100 -0.407 0.000 0.979 410 R CB 0.036 29.910 30.300 -0.709 0.000 0.877 410 R HN 0.339 nan 8.270 nan 0.000 0.441 411 H N -0.901 118.135 119.070 -0.057 0.000 2.893 411 H HA 0.106 4.663 4.556 0.002 0.000 0.270 411 H C -0.290 175.019 175.328 -0.031 0.000 1.095 411 H CA -0.509 55.487 56.048 -0.086 0.000 1.186 411 H CB 0.223 29.854 29.762 -0.219 0.000 1.562 411 H HN 0.072 nan 8.280 nan 0.000 0.536 412 D N 0.894 121.369 120.400 0.125 0.000 2.533 412 D HA 0.062 4.703 4.640 0.002 0.000 0.236 412 D C 1.469 177.836 176.300 0.111 0.000 1.137 412 D CA 1.763 55.867 54.000 0.173 0.000 0.867 412 D CB 0.384 41.325 40.800 0.235 0.000 1.170 412 D HN 0.593 nan 8.370 nan 0.000 0.474 413 G N 2.247 111.099 108.800 0.086 0.000 2.159 413 G HA2 -0.202 3.759 3.960 0.002 0.000 0.256 413 G HA3 -0.202 3.759 3.960 0.002 0.000 0.256 413 G C 0.297 175.238 174.900 0.068 0.000 0.977 413 G CA 0.757 45.904 45.100 0.079 0.000 0.652 413 G HN 1.133 nan 8.290 nan 0.000 0.531 414 S N -1.252 114.490 115.700 0.070 0.000 2.740 414 S HA 0.907 5.378 4.470 0.002 0.000 0.300 414 S C -0.189 174.441 174.600 0.050 0.000 1.147 414 S CA 0.200 58.440 58.200 0.067 0.000 0.871 414 S CB 2.108 65.366 63.200 0.095 0.000 1.173 414 S HN 1.890 nan 8.310 nan 0.000 0.510 415 A N 0.279 123.119 122.820 0.033 0.000 2.276 415 A HA 0.872 5.194 4.320 0.002 0.000 0.316 415 A C 0.190 177.758 177.584 -0.027 0.000 1.229 415 A CA -0.322 51.715 52.037 -0.001 0.000 0.851 415 A CB 0.177 19.165 19.000 -0.020 0.000 1.165 415 A HN 1.552 nan 8.150 nan 0.000 0.513 416 A N 1.704 124.493 122.820 -0.052 0.000 2.389 416 A HA 0.967 5.288 4.320 0.002 0.000 0.293 416 A C 0.315 177.835 177.584 -0.107 0.000 1.186 416 A CA 0.066 52.031 52.037 -0.119 0.000 0.828 416 A CB 0.900 19.759 19.000 -0.235 0.000 1.369 416 A HN 1.554 nan 8.150 nan 0.000 0.446 417 T N -3.652 110.828 114.554 -0.122 0.000 2.942 417 T HA 0.389 4.740 4.350 0.002 0.000 0.289 417 T C 0.973 175.637 174.700 -0.060 0.000 1.044 417 T CA -0.030 62.013 62.100 -0.096 0.000 1.023 417 T CB 0.678 69.476 68.868 -0.117 0.000 1.123 417 T HN 0.622 nan 8.240 nan 0.000 0.512 418 C N 0.570 119.831 119.300 -0.065 0.000 2.398 418 C HA -0.091 4.370 4.460 0.002 0.000 0.276 418 C C 2.517 177.382 174.990 -0.208 0.000 1.222 418 C CA 1.673 60.613 59.018 -0.131 0.000 1.746 418 C CB -1.419 26.212 27.740 -0.181 0.000 2.039 418 C HN 1.142 nan 8.230 nan 0.000 0.470 419 D N 0.477 120.765 120.400 -0.187 0.000 2.144 419 D HA -0.136 4.506 4.640 0.002 0.000 0.199 419 D C 1.651 177.909 176.300 -0.070 0.000 0.984 419 D CA 1.309 55.221 54.000 -0.145 0.000 0.834 419 D CB -0.213 40.534 40.800 -0.089 0.000 0.955 419 D HN 0.410 nan 8.370 nan 0.000 0.465 420 D N -0.603 119.765 120.400 -0.053 0.000 2.123 420 D HA -0.187 4.454 4.640 0.002 0.000 0.196 420 D C 1.755 178.084 176.300 0.049 0.000 0.992 420 D CA 0.636 54.620 54.000 -0.027 0.000 0.833 420 D CB -0.476 40.154 40.800 -0.282 0.000 0.954 420 D HN 0.301 nan 8.370 nan 0.000 0.455 421 F N 1.539 121.410 119.950 -0.132 0.000 2.102 421 F HA -0.209 4.320 4.527 0.002 0.000 0.298 421 F C 2.226 177.903 175.800 -0.204 0.000 1.105 421 F CA 1.039 58.878 58.000 -0.268 0.000 1.239 421 F CB -0.331 38.398 39.000 -0.451 0.000 0.991 421 F HN -0.222 nan 8.300 nan 0.000 0.474 422 V N 0.560 120.394 119.914 -0.134 0.000 2.343 422 V HA -0.345 3.776 4.120 0.002 0.000 0.247 422 V C 2.438 178.425 176.094 -0.178 0.000 1.051 422 V CA 2.311 64.513 62.300 -0.164 0.000 1.036 422 V CB -0.967 30.837 31.823 -0.032 0.000 0.654 422 V HN 0.474 nan 8.190 nan 0.000 0.451 423 Q N -0.301 119.437 119.800 -0.103 0.000 2.124 423 Q HA -0.203 4.138 4.340 0.002 0.000 0.202 423 Q C 2.286 178.229 176.000 -0.095 0.000 0.977 423 Q CA 1.760 57.526 55.803 -0.062 0.000 0.850 423 Q CB -0.244 28.492 28.738 -0.003 0.000 0.901 423 Q HN 0.659 nan 8.270 nan 0.000 0.429 424 A N 0.524 123.270 122.820 -0.124 0.000 1.902 424 A HA -0.191 4.130 4.320 0.002 0.000 0.217 424 A C 2.024 179.447 177.584 -0.268 0.000 1.181 424 A CA 1.422 53.374 52.037 -0.143 0.000 0.623 424 A CB -0.425 18.534 19.000 -0.069 0.000 0.818 424 A HN 0.377 nan 8.150 nan 0.000 0.443 425 M N -0.772 118.564 119.600 -0.440 0.000 2.132 425 M HA -0.129 4.352 4.480 0.002 0.000 0.263 425 M C 2.116 178.266 176.300 -0.249 0.000 1.065 425 M CA 1.905 56.942 55.300 -0.437 0.000 1.122 425 M CB -1.174 31.081 32.600 -0.575 0.000 1.365 425 M HN 0.732 nan 8.290 nan 0.000 0.411 426 E N 0.402 120.490 120.200 -0.187 0.000 2.072 426 E HA -0.216 4.135 4.350 0.002 0.000 0.191 426 E C 1.355 177.905 176.600 -0.083 0.000 0.985 426 E CA 1.474 57.811 56.400 -0.104 0.000 0.801 426 E CB 0.163 29.828 29.700 -0.059 0.000 0.750 426 E HN 0.356 nan 8.360 nan 0.000 0.452 427 D N 0.264 120.614 120.400 -0.084 0.000 2.117 427 D HA -0.097 4.544 4.640 0.002 0.000 0.198 427 D C 1.822 178.081 176.300 -0.068 0.000 0.982 427 D CA 1.365 55.329 54.000 -0.060 0.000 0.828 427 D CB -0.311 40.461 40.800 -0.048 0.000 0.967 427 D HN 0.311 nan 8.370 nan 0.000 0.464 428 A N 0.703 123.466 122.820 -0.095 0.000 1.969 428 A HA -0.116 4.205 4.320 0.002 0.000 0.218 428 A C 2.257 179.792 177.584 -0.081 0.000 1.169 428 A CA 2.069 54.051 52.037 -0.091 0.000 0.635 428 A CB -0.316 18.612 19.000 -0.121 0.000 0.810 428 A HN 0.313 nan 8.150 nan 0.000 0.445 429 S N -2.144 113.501 115.700 -0.092 0.000 2.503 429 S HA 0.080 4.551 4.470 0.002 0.000 0.215 429 S C 0.718 175.286 174.600 -0.052 0.000 1.003 429 S CA 0.703 58.857 58.200 -0.076 0.000 0.910 429 S CB -0.417 62.727 63.200 -0.095 0.000 0.790 429 S HN 0.563 nan 8.310 nan 0.000 0.514 430 N N -0.073 118.599 118.700 -0.047 0.000 2.741 430 N HA -0.126 4.615 4.740 0.002 0.000 0.251 430 N C -0.998 174.502 175.510 -0.017 0.000 1.112 430 N CA 0.754 53.788 53.050 -0.027 0.000 0.750 430 N CB -1.448 37.027 38.487 -0.020 0.000 1.119 430 N HN 0.375 nan 8.380 nan 0.000 0.561 431 V N 0.723 120.620 119.914 -0.027 0.000 2.432 431 V HA 0.180 4.301 4.120 0.002 0.000 0.275 431 V C 0.383 176.485 176.094 0.013 0.000 1.043 431 V CA -0.570 61.726 62.300 -0.007 0.000 0.925 431 V CB 1.550 33.354 31.823 -0.032 0.000 0.985 431 V HN 0.151 nan 8.190 nan 0.000 0.466 432 D N 4.558 124.991 120.400 0.056 0.000 2.339 432 D HA 0.196 4.837 4.640 0.002 0.000 0.256 432 D C 0.321 176.710 176.300 0.149 0.000 1.214 432 D CA 0.184 54.235 54.000 0.085 0.000 0.877 432 D CB 0.841 41.694 40.800 0.088 0.000 1.111 432 D HN 0.459 nan 8.370 nan 0.000 0.478 433 L N 3.104 124.410 121.223 0.140 0.000 2.965 433 L HA 0.145 4.486 4.340 0.002 0.000 0.254 433 L C 1.779 178.830 176.870 0.302 0.000 1.220 433 L CA -0.262 54.717 54.840 0.231 0.000 1.023 433 L CB 0.157 42.282 42.059 0.110 0.000 1.355 433 L HN 0.286 nan 8.230 nan 0.000 0.545 434 S N -0.652 115.191 115.700 0.238 0.000 2.356 434 S HA -0.235 4.236 4.470 0.002 0.000 0.223 434 S C 1.862 176.636 174.600 0.290 0.000 1.032 434 S CA 1.469 59.794 58.200 0.208 0.000 1.005 434 S CB -0.252 63.030 63.200 0.137 0.000 0.867 434 S HN 0.590 nan 8.310 nan 0.000 0.449 435 H N -0.609 118.584 119.070 0.206 0.000 2.357 435 H HA -0.064 4.493 4.556 0.002 0.000 0.301 435 H C 2.081 177.575 175.328 0.277 0.000 1.082 435 H CA 1.151 57.313 56.048 0.189 0.000 1.342 435 H CB -0.183 29.671 29.762 0.152 0.000 1.389 435 H HN 0.396 nan 8.280 nan 0.000 0.511 436 F N 1.976 122.123 119.950 0.329 0.000 2.192 436 F HA -0.217 4.311 4.527 0.002 0.000 0.301 436 F C 2.406 178.442 175.800 0.394 0.000 1.079 436 F CA 1.401 59.600 58.000 0.331 0.000 1.303 436 F CB -0.182 38.975 39.000 0.263 0.000 1.024 436 F HN 0.040 nan 8.300 nan 0.000 0.494 437 R N -0.240 120.509 120.500 0.414 0.000 2.211 437 R HA -0.217 4.124 4.340 0.002 0.000 0.240 437 R C 2.307 178.769 176.300 0.269 0.000 1.144 437 R CA 1.345 57.659 56.100 0.357 0.000 0.992 437 R CB -0.456 29.981 30.300 0.229 0.000 0.869 437 R HN 0.301 nan 8.270 nan 0.000 0.462 438 R N -0.033 120.545 120.500 0.131 0.000 2.159 438 R HA -0.175 4.166 4.340 0.002 0.000 0.237 438 R C 1.291 177.562 176.300 -0.048 0.000 1.131 438 R CA 1.387 57.502 56.100 0.024 0.000 0.982 438 R CB -0.168 30.113 30.300 -0.033 0.000 0.868 438 R HN 0.319 nan 8.270 nan 0.000 0.453 439 W N -0.693 120.501 121.300 -0.177 0.000 2.364 439 W HA -0.190 4.471 4.660 0.001 0.000 0.281 439 W C 1.360 177.752 176.519 -0.211 0.000 1.219 439 W CA 0.696 57.867 57.345 -0.290 0.000 1.220 439 W CB -0.166 28.920 29.460 -0.624 0.000 1.127 439 W HN 0.176 nan 8.180 nan 0.000 0.556 440 Y N -1.401 118.987 120.300 0.146 0.000 2.395 440 Y HA -0.105 4.446 4.550 0.002 0.000 0.293 440 Y C 2.357 178.323 175.900 0.110 0.000 1.123 440 Y CA 1.318 59.497 58.100 0.132 0.000 1.227 440 Y CB -0.345 38.190 38.460 0.126 0.000 1.012 440 Y HN -0.224 nan 8.280 nan 0.000 0.552 441 S N -1.272 114.556 115.700 0.213 0.000 2.502 441 S HA 0.033 4.504 4.470 0.002 0.000 0.215 441 S C 0.493 175.148 174.600 0.093 0.000 1.009 441 S CA -0.231 58.055 58.200 0.145 0.000 0.908 441 S CB 0.248 63.517 63.200 0.114 0.000 0.801 441 S HN 0.298 nan 8.310 nan 0.000 0.505 442 Q N 2.159 121.990 119.800 0.052 0.000 2.322 442 Q HA 0.464 4.805 4.340 0.002 0.000 0.265 442 Q C -0.438 175.575 176.000 0.022 0.000 0.985 442 Q CA -0.516 55.291 55.803 0.008 0.000 0.849 442 Q CB 1.179 29.870 28.738 -0.079 0.000 1.274 442 Q HN 0.357 nan 8.270 nan 0.000 0.449 443 S N 2.291 118.012 115.700 0.034 0.000 2.707 443 S HA 0.931 5.402 4.470 0.002 0.000 0.276 443 S C 0.305 174.908 174.600 0.005 0.000 1.179 443 S CA 0.046 58.268 58.200 0.036 0.000 0.992 443 S CB 1.317 64.556 63.200 0.065 0.000 1.030 443 S HN 1.187 nan 8.310 nan 0.000 0.554 444 G N -0.143 108.658 108.800 0.001 0.000 2.730 444 G HA2 0.027 3.988 3.960 0.002 0.000 0.686 444 G HA3 0.027 3.988 3.960 0.002 0.000 0.686 444 G C -0.572 174.298 174.900 -0.050 0.000 1.343 444 G CA -0.505 44.580 45.100 -0.025 0.000 0.826 444 G HN 1.102 nan 8.290 nan 0.000 0.582 445 T N 3.569 118.050 114.554 -0.121 0.000 2.749 445 T HA 0.616 4.967 4.350 0.002 0.000 0.287 445 T C -2.216 172.389 174.700 -0.158 0.000 0.970 445 T CA -0.691 61.276 62.100 -0.221 0.000 0.980 445 T CB 1.812 70.314 68.868 -0.610 0.000 0.924 445 T HN 0.511 nan 8.240 nan 0.000 0.456 446 P HA 0.328 nan 4.420 nan 0.000 0.271 446 P C -0.658 176.625 177.300 -0.029 0.000 1.218 446 P CA -0.392 62.672 63.100 -0.059 0.000 0.780 446 P CB 0.497 32.174 31.700 -0.039 0.000 0.901 447 I N 2.045 122.607 120.570 -0.013 0.000 2.362 447 I HA 0.261 4.432 4.170 0.002 0.000 0.289 447 I C -0.460 175.683 176.117 0.042 0.000 0.994 447 I CA -0.851 60.464 61.300 0.024 0.000 1.158 447 I CB 1.653 39.659 38.000 0.010 0.000 1.315 447 I HN -0.051 nan 8.210 nan 0.000 0.451 448 V N 5.374 125.342 119.914 0.089 0.000 2.347 448 V HA 0.352 4.473 4.120 0.002 0.000 0.280 448 V C 0.113 176.248 176.094 0.068 0.000 1.021 448 V CA -0.356 61.983 62.300 0.065 0.000 0.847 448 V CB 1.618 33.506 31.823 0.108 0.000 0.990 448 V HN 0.711 nan 8.190 nan 0.000 0.444 449 T N 4.846 119.411 114.554 0.018 0.000 2.794 449 T HA 0.614 4.965 4.350 0.002 0.000 0.280 449 T C -0.346 174.358 174.700 0.005 0.000 0.987 449 T CA -0.358 61.758 62.100 0.027 0.000 0.993 449 T CB 1.589 70.461 68.868 0.008 0.000 0.939 449 T HN 0.341 nan 8.240 nan 0.000 0.449 450 V N 4.251 124.203 119.914 0.063 0.000 2.487 450 V HA 0.498 4.619 4.120 0.002 0.000 0.298 450 V C -0.212 175.955 176.094 0.122 0.000 1.028 450 V CA -0.908 61.447 62.300 0.091 0.000 0.860 450 V CB 1.810 33.729 31.823 0.160 0.000 0.991 450 V HN 0.742 nan 8.190 nan 0.000 0.427 451 K N 3.265 123.698 120.400 0.056 0.000 2.259 451 K HA 0.718 5.039 4.320 0.002 0.000 0.249 451 K C -1.297 175.322 176.600 0.031 0.000 0.942 451 K CA -0.823 55.471 56.287 0.011 0.000 0.816 451 K CB 2.096 34.576 32.500 -0.033 0.000 1.155 451 K HN 0.888 nan 8.250 nan 0.000 0.428 452 D N 0.153 120.571 120.400 0.030 0.000 2.523 452 D HA 0.430 5.071 4.640 0.002 0.000 0.236 452 D C -1.363 174.920 176.300 -0.029 0.000 1.094 452 D CA -0.635 53.340 54.000 -0.042 0.000 0.942 452 D CB 1.861 42.682 40.800 0.035 0.000 1.447 452 D HN 0.424 nan 8.370 nan 0.000 0.479 453 D N -1.156 119.190 120.400 -0.089 0.000 2.947 453 D HA 0.345 4.986 4.640 0.002 0.000 0.224 453 D C -2.049 174.353 176.300 0.169 0.000 1.230 453 D CA -0.582 53.439 54.000 0.035 0.000 0.871 453 D CB 1.342 42.134 40.800 -0.013 0.000 1.671 453 D HN 0.335 nan 8.370 nan 0.000 0.507 454 Y N 3.468 123.842 120.300 0.122 0.000 2.335 454 Y HA 0.525 5.076 4.550 0.002 0.000 0.338 454 Y C -1.052 174.888 175.900 0.067 0.000 0.977 454 Y CA -0.988 57.211 58.100 0.165 0.000 1.114 454 Y CB 1.250 39.805 38.460 0.158 0.000 1.182 454 Y HN 0.360 nan 8.280 nan 0.000 0.463 455 N N 8.549 126.937 118.700 -0.521 0.000 2.546 455 N HA 0.298 5.039 4.740 0.002 0.000 0.238 455 N C -2.242 172.857 175.510 -0.685 0.000 0.984 455 N CA -2.488 50.304 53.050 -0.430 0.000 0.935 455 N CB 1.754 40.113 38.487 -0.213 0.000 1.122 455 N HN 0.409 nan 8.380 nan 0.000 0.510 456 P HA -0.071 nan 4.420 nan 0.000 0.221 456 P C 0.560 177.747 177.300 -0.187 0.000 1.150 456 P CA 1.043 63.918 63.100 -0.375 0.000 0.800 456 P CB 0.701 32.326 31.700 -0.126 0.000 0.787 457 E N -0.044 120.067 120.200 -0.148 0.000 2.077 457 E HA -0.117 4.234 4.350 0.002 0.000 0.193 457 E C 1.670 178.226 176.600 -0.073 0.000 0.989 457 E CA 2.031 58.382 56.400 -0.083 0.000 0.800 457 E CB -0.433 29.227 29.700 -0.066 0.000 0.746 457 E HN 0.402 nan 8.360 nan 0.000 0.452 458 T N -2.736 111.755 114.554 -0.104 0.000 3.054 458 T HA 0.146 4.497 4.350 0.002 0.000 0.255 458 T C 0.186 174.858 174.700 -0.046 0.000 1.035 458 T CA -0.182 61.880 62.100 -0.062 0.000 0.941 458 T CB 0.155 68.990 68.868 -0.055 0.000 1.026 458 T HN 0.078 nan 8.240 nan 0.000 0.533 459 E N 1.191 121.327 120.200 -0.107 0.000 2.297 459 E HA -0.187 4.164 4.350 0.002 0.000 0.228 459 E C -0.602 176.031 176.600 0.056 0.000 1.213 459 E CA 0.277 56.659 56.400 -0.030 0.000 0.712 459 E CB -1.343 28.423 29.700 0.109 0.000 1.202 459 E HN 0.730 nan 8.360 nan 0.000 0.376 460 Q N 0.041 119.823 119.800 -0.031 0.000 2.309 460 Q HA 0.539 4.880 4.340 0.002 0.000 0.264 460 Q C -0.989 175.152 176.000 0.235 0.000 1.008 460 Q CA -0.774 55.098 55.803 0.115 0.000 0.853 460 Q CB 1.758 30.525 28.738 0.049 0.000 1.314 460 Q HN 0.253 nan 8.270 nan 0.000 0.448 461 Y N 0.833 121.285 120.300 0.254 0.000 2.341 461 Y HA 0.395 4.946 4.550 0.002 0.000 0.338 461 Y C -1.039 175.055 175.900 0.322 0.000 0.965 461 Y CA -0.420 57.876 58.100 0.326 0.000 1.108 461 Y CB 1.685 40.351 38.460 0.342 0.000 1.180 461 Y HN 0.470 nan 8.280 nan 0.000 0.458 462 T N 7.659 122.094 114.554 -0.198 0.000 2.792 462 T HA 0.512 4.863 4.350 0.002 0.000 0.280 462 T C -0.729 173.788 174.700 -0.304 0.000 0.990 462 T CA -0.570 61.438 62.100 -0.154 0.000 0.960 462 T CB 0.549 69.365 68.868 -0.085 0.000 0.939 462 T HN 0.506 nan 8.240 nan 0.000 0.439 463 L N 3.253 124.435 121.223 -0.068 0.000 2.296 463 L HA 0.471 4.812 4.340 0.002 0.000 0.286 463 L C 0.214 177.145 176.870 0.102 0.000 1.023 463 L CA -0.687 54.163 54.840 0.016 0.000 0.812 463 L CB 1.455 43.621 42.059 0.178 0.000 1.223 463 L HN 0.581 nan 8.230 nan 0.000 0.421 464 T N 4.833 119.409 114.554 0.037 0.000 2.770 464 T HA 0.578 4.929 4.350 0.002 0.000 0.297 464 T C -0.097 174.619 174.700 0.027 0.000 0.997 464 T CA -0.192 61.924 62.100 0.028 0.000 0.949 464 T CB 0.637 69.495 68.868 -0.017 0.000 0.941 464 T HN 0.268 nan 8.240 nan 0.000 0.457 465 I N 2.586 123.186 120.570 0.050 0.000 2.433 465 I HA 0.453 4.624 4.170 0.002 0.000 0.292 465 I C 0.118 176.223 176.117 -0.020 0.000 1.001 465 I CA -0.610 60.674 61.300 -0.026 0.000 1.119 465 I CB 1.900 39.841 38.000 -0.098 0.000 1.289 465 I HN 0.510 nan 8.210 nan 0.000 0.438 466 S N 5.109 120.783 115.700 -0.043 0.000 2.566 466 S HA 0.654 5.125 4.470 0.002 0.000 0.298 466 S C -0.939 173.643 174.600 -0.029 0.000 1.083 466 S CA -0.850 57.333 58.200 -0.028 0.000 0.978 466 S CB 2.126 65.311 63.200 -0.023 0.000 1.073 466 S HN 0.659 nan 8.310 nan 0.000 0.491 467 Q N 0.655 120.443 119.800 -0.020 0.000 2.389 467 Q HA 0.772 5.113 4.340 0.002 0.000 0.277 467 Q C -1.282 174.704 176.000 -0.024 0.000 1.082 467 Q CA -1.235 54.558 55.803 -0.017 0.000 0.810 467 Q CB 2.061 30.791 28.738 -0.014 0.000 1.374 467 Q HN 0.755 nan 8.270 nan 0.000 0.422 468 R N -0.010 120.473 120.500 -0.028 0.000 2.604 468 R HA 0.597 4.938 4.340 0.002 0.000 0.270 468 R C -1.572 174.700 176.300 -0.048 0.000 1.052 468 R CA -0.678 55.401 56.100 -0.036 0.000 0.902 468 R CB 2.091 32.376 30.300 -0.025 0.000 1.233 468 R HN 0.570 nan 8.270 nan 0.000 0.455 469 T N 4.175 118.693 114.554 -0.060 0.000 2.770 469 T HA 0.401 4.752 4.350 0.002 0.000 0.283 469 T C -2.505 172.168 174.700 -0.045 0.000 0.988 469 T CA -1.525 60.535 62.100 -0.066 0.000 0.957 469 T CB 1.657 70.470 68.868 -0.093 0.000 0.930 469 T HN 0.427 nan 8.240 nan 0.000 0.443 470 P HA 0.287 nan 4.420 nan 0.000 0.269 470 P C -0.335 176.955 177.300 -0.016 0.000 1.209 470 P CA -0.460 62.626 63.100 -0.023 0.000 0.776 470 P CB 0.314 32.003 31.700 -0.018 0.000 0.876 471 A N 2.716 125.531 122.820 -0.007 0.000 2.586 471 A HA 0.373 4.694 4.320 0.002 0.000 0.231 471 A C 0.694 178.285 177.584 0.011 0.000 1.055 471 A CA 0.684 52.723 52.037 0.003 0.000 0.756 471 A CB -0.727 18.278 19.000 0.008 0.000 0.988 471 A HN 0.651 nan 8.150 nan 0.000 0.509 472 T N -0.767 113.801 114.554 0.022 0.000 2.930 472 T HA 0.661 5.012 4.350 0.002 0.000 0.290 472 T C -2.244 172.484 174.700 0.048 0.000 1.052 472 T CA -1.546 60.575 62.100 0.035 0.000 1.017 472 T CB 1.577 70.470 68.868 0.041 0.000 1.137 472 T HN 0.292 nan 8.240 nan 0.000 0.511 473 P HA -0.052 nan 4.420 nan 0.000 0.220 473 P C 1.069 178.415 177.300 0.076 0.000 1.148 473 P CA 1.022 64.158 63.100 0.061 0.000 0.803 473 P CB -0.010 31.728 31.700 0.063 0.000 0.782 474 D N -1.409 119.047 120.400 0.093 0.000 2.323 474 D HA -0.064 4.577 4.640 0.002 0.000 0.209 474 D C 0.452 176.811 176.300 0.098 0.000 0.973 474 D CA 0.580 54.648 54.000 0.113 0.000 0.874 474 D CB -0.052 40.839 40.800 0.152 0.000 0.930 474 D HN 0.235 nan 8.370 nan 0.000 0.521 475 Q N -0.362 119.483 119.800 0.074 0.000 2.350 475 Q HA 0.539 4.880 4.340 0.002 0.000 0.255 475 Q C -0.322 175.701 176.000 0.039 0.000 0.951 475 Q CA -0.420 55.418 55.803 0.058 0.000 0.751 475 Q CB 2.304 31.074 28.738 0.054 0.000 1.296 475 Q HN 0.076 nan 8.270 nan 0.000 0.453 476 A N 2.355 125.196 122.820 0.034 0.000 2.067 476 A HA -0.051 4.270 4.320 0.002 0.000 0.217 476 A C 0.658 178.250 177.584 0.012 0.000 1.156 476 A CA 0.930 52.980 52.037 0.022 0.000 0.683 476 A CB 0.262 19.276 19.000 0.022 0.000 0.808 476 A HN 0.602 nan 8.150 nan 0.000 0.455 477 E N 0.851 121.059 120.200 0.012 0.000 2.166 477 E HA 0.379 4.730 4.350 0.002 0.000 0.275 477 E C -1.110 175.487 176.600 -0.005 0.000 0.941 477 E CA -0.587 55.815 56.400 0.002 0.000 0.784 477 E CB 0.549 30.251 29.700 0.002 0.000 1.115 477 E HN 0.040 nan 8.360 nan 0.000 0.399 478 K N 3.136 123.526 120.400 -0.016 0.000 2.426 478 K HA 0.412 4.733 4.320 0.002 0.000 0.251 478 K C -0.692 175.884 176.600 -0.039 0.000 0.941 478 K CA -0.723 55.545 56.287 -0.033 0.000 0.808 478 K CB 2.231 34.708 32.500 -0.039 0.000 1.265 478 K HN 0.585 nan 8.250 nan 0.000 0.432 479 Q N 0.994 120.762 119.800 -0.053 0.000 2.484 479 Q HA 0.476 4.817 4.340 0.002 0.000 0.285 479 Q C -2.513 173.452 176.000 -0.058 0.000 1.097 479 Q CA -2.190 53.586 55.803 -0.045 0.000 0.802 479 Q CB 2.085 30.805 28.738 -0.031 0.000 1.444 479 Q HN 0.208 nan 8.270 nan 0.000 0.429 480 P HA 0.042 nan 4.420 nan 0.000 0.268 480 P C -0.967 176.360 177.300 0.045 0.000 1.205 480 P CA 0.349 63.449 63.100 0.001 0.000 0.771 480 P CB 0.464 32.197 31.700 0.053 0.000 0.858 481 L N 1.500 122.618 121.223 -0.174 0.000 2.331 481 L HA 0.394 4.735 4.340 0.002 0.000 0.268 481 L C 0.904 177.511 176.870 -0.437 0.000 1.015 481 L CA -0.875 53.669 54.840 -0.494 0.000 0.807 481 L CB 0.753 42.176 42.059 -1.060 0.000 1.293 481 L HN 0.453 nan 8.230 nan 0.000 0.451 482 H N 2.015 120.636 119.070 -0.749 0.000 2.911 482 H HA 0.374 4.931 4.556 0.002 0.000 0.273 482 H C -0.833 174.665 175.328 0.284 0.000 1.157 482 H CA -0.532 55.376 56.048 -0.233 0.000 1.402 482 H CB 0.304 30.005 29.762 -0.101 0.000 1.463 482 H HN 0.339 nan 8.280 nan 0.000 0.475 483 I N 8.366 129.236 120.570 0.501 0.000 2.328 483 I HA 0.209 4.380 4.170 0.002 0.000 0.287 483 I C -2.325 174.047 176.117 0.426 0.000 1.012 483 I CA -2.319 59.274 61.300 0.488 0.000 1.195 483 I CB 1.555 39.778 38.000 0.372 0.000 1.350 483 I HN 0.518 nan 8.210 nan 0.000 0.464 484 P HA 0.108 nan 4.420 nan 0.000 0.276 484 P C -0.837 176.588 177.300 0.208 0.000 1.264 484 P CA 0.032 63.258 63.100 0.209 0.000 0.769 484 P CB 0.114 31.857 31.700 0.072 0.000 0.840 485 F N 3.973 123.956 119.950 0.055 0.000 2.434 485 F HA 0.593 5.121 4.527 0.001 0.000 0.367 485 F C -0.161 175.635 175.800 -0.006 0.000 1.093 485 F CA -0.889 57.123 58.000 0.020 0.000 1.085 485 F CB 0.542 39.544 39.000 0.002 0.000 1.322 485 F HN 0.269 nan 8.300 nan 0.000 0.452 486 A N 7.260 129.917 122.820 -0.272 0.000 2.366 486 A HA 0.654 4.975 4.320 0.002 0.000 0.272 486 A C -0.348 177.098 177.584 -0.230 0.000 1.135 486 A CA -0.339 51.597 52.037 -0.168 0.000 0.804 486 A CB 0.009 18.941 19.000 -0.114 0.000 1.064 486 A HN 0.848 nan 8.150 nan 0.000 0.499 487 I N -1.317 119.191 120.570 -0.103 0.000 3.042 487 I HA 0.879 5.050 4.170 0.002 0.000 0.310 487 I C -0.706 175.361 176.117 -0.083 0.000 1.117 487 I CA -0.838 60.415 61.300 -0.078 0.000 1.003 487 I CB 2.419 40.403 38.000 -0.026 0.000 1.228 487 I HN 0.596 nan 8.210 nan 0.000 0.443 488 E N 3.498 123.652 120.200 -0.077 0.000 2.321 488 E HA 0.590 4.941 4.350 0.002 0.000 0.278 488 E C -1.690 174.756 176.600 -0.256 0.000 0.902 488 E CA -0.714 55.573 56.400 -0.189 0.000 0.758 488 E CB 3.069 32.682 29.700 -0.146 0.000 1.213 488 E HN 0.499 nan 8.360 nan 0.000 0.426 489 L N 2.915 123.884 121.223 -0.422 0.000 2.322 489 L HA 0.536 4.877 4.340 0.002 0.000 0.281 489 L C -1.156 175.418 176.870 -0.494 0.000 1.014 489 L CA -0.898 53.710 54.840 -0.386 0.000 0.815 489 L CB 0.755 42.560 42.059 -0.424 0.000 1.247 489 L HN 0.498 nan 8.230 nan 0.000 0.421 490 Y N 0.619 120.857 120.300 -0.103 0.000 2.393 490 Y HA 0.266 4.817 4.550 0.002 0.000 0.341 490 Y C 0.281 176.121 175.900 -0.100 0.000 0.988 490 Y CA -1.055 57.037 58.100 -0.013 0.000 1.078 490 Y CB 1.543 40.136 38.460 0.221 0.000 1.203 490 Y HN 0.629 nan 8.280 nan 0.000 0.453 491 D N 0.312 120.737 120.400 0.043 0.000 2.440 491 D HA -0.027 4.614 4.640 0.002 0.000 0.269 491 D C 0.834 177.073 176.300 -0.100 0.000 1.249 491 D CA -0.419 53.533 54.000 -0.080 0.000 1.055 491 D CB 0.380 41.142 40.800 -0.063 0.000 1.104 491 D HN 0.551 nan 8.370 nan 0.000 0.561 492 N N -0.190 118.235 118.700 -0.459 0.000 2.453 492 N HA -0.178 4.563 4.740 0.002 0.000 0.183 492 N C 0.504 175.945 175.510 -0.114 0.000 1.041 492 N CA 0.794 53.622 53.050 -0.370 0.000 0.900 492 N CB -0.272 37.743 38.487 -0.786 0.000 0.961 492 N HN 0.514 nan 8.380 nan 0.000 0.443 493 E N -0.295 119.820 120.200 -0.142 0.000 2.479 493 E HA 0.121 4.472 4.350 0.002 0.000 0.193 493 E C 0.747 177.186 176.600 -0.268 0.000 1.049 493 E CA 0.405 56.718 56.400 -0.145 0.000 0.870 493 E CB 0.014 29.656 29.700 -0.096 0.000 0.944 493 E HN 0.541 nan 8.360 nan 0.000 0.492 494 G N 2.215 110.903 108.800 -0.187 0.000 2.136 494 G HA2 -0.304 3.657 3.960 0.002 0.000 0.242 494 G HA3 -0.304 3.657 3.960 0.002 0.000 0.242 494 G C 0.051 175.019 174.900 0.113 0.000 0.989 494 G CA 0.373 45.294 45.100 -0.297 0.000 0.682 494 G HN 0.202 nan 8.290 nan 0.000 0.522 495 K N -0.139 120.340 120.400 0.133 0.000 2.118 495 K HA 0.588 4.909 4.320 0.002 0.000 0.267 495 K C 0.610 177.268 176.600 0.097 0.000 0.991 495 K CA -0.826 55.539 56.287 0.130 0.000 0.916 495 K CB 2.131 34.681 32.500 0.084 0.000 1.041 495 K HN 0.024 nan 8.250 nan 0.000 0.455 496 V N 4.324 124.230 119.914 -0.013 0.000 2.521 496 V HA 0.071 4.192 4.120 0.002 0.000 0.286 496 V C 0.316 176.344 176.094 -0.110 0.000 1.034 496 V CA -0.180 61.982 62.300 -0.230 0.000 1.045 496 V CB 0.195 31.880 31.823 -0.229 0.000 0.974 496 V HN 0.569 nan 8.190 nan 0.000 0.480 497 I N 7.799 128.258 120.570 -0.185 0.000 2.396 497 I HA 0.243 4.414 4.170 0.002 0.000 0.289 497 I C -1.995 174.073 176.117 -0.082 0.000 1.056 497 I CA -1.648 59.584 61.300 -0.114 0.000 1.365 497 I CB 0.998 38.818 38.000 -0.300 0.000 1.407 497 I HN 0.455 nan 8.210 nan 0.000 0.509 498 P HA 0.071 nan 4.420 nan 0.000 0.264 498 P C -0.734 176.586 177.300 0.033 0.000 1.193 498 P CA 0.065 63.183 63.100 0.029 0.000 0.763 498 P CB 0.329 32.076 31.700 0.078 0.000 0.810 499 L N 4.666 125.902 121.223 0.023 0.000 2.290 499 L HA 0.374 4.715 4.340 0.002 0.000 0.284 499 L C 0.851 177.846 176.870 0.209 0.000 1.078 499 L CA 0.068 54.962 54.840 0.090 0.000 0.815 499 L CB 0.223 42.300 42.059 0.031 0.000 1.162 499 L HN 0.513 nan 8.230 nan 0.000 0.435 500 Q N 3.116 123.097 119.800 0.302 0.000 2.575 500 Q HA 0.627 4.968 4.340 0.002 0.000 0.290 500 Q C -1.596 174.552 176.000 0.248 0.000 0.963 500 Q CA -1.237 54.712 55.803 0.243 0.000 0.783 500 Q CB 2.814 31.648 28.738 0.161 0.000 1.467 500 Q HN 0.385 nan 8.270 nan 0.000 0.402 501 K N -0.259 120.244 120.400 0.173 0.000 2.550 501 K HA 0.462 4.783 4.320 0.002 0.000 0.252 501 K C -0.102 176.555 176.600 0.097 0.000 0.943 501 K CA 0.042 56.397 56.287 0.114 0.000 0.806 501 K CB 1.657 34.193 32.500 0.059 0.000 1.289 501 K HN 1.077 nan 8.250 nan 0.000 0.435 502 G N 2.068 110.898 108.800 0.050 0.000 2.258 502 G HA2 -0.255 3.706 3.960 0.002 0.000 0.274 502 G HA3 -0.255 3.706 3.960 0.002 0.000 0.274 502 G C 0.733 175.549 174.900 -0.141 0.000 1.021 502 G CA 0.948 46.055 45.100 0.011 0.000 0.798 502 G HN 1.496 nan 8.290 nan 0.000 0.507 503 G N -1.808 106.904 108.800 -0.146 0.000 2.157 503 G HA2 -0.214 3.747 3.960 0.002 0.000 0.248 503 G HA3 -0.214 3.747 3.960 0.002 0.000 0.248 503 G C 0.063 174.716 174.900 -0.412 0.000 0.979 503 G CA 0.744 45.680 45.100 -0.273 0.000 0.650 503 G HN 1.432 nan 8.290 nan 0.000 0.529 504 H N -0.022 119.083 119.070 0.059 0.000 2.572 504 H HA 0.439 4.996 4.556 0.001 0.000 0.359 504 H C -2.567 172.809 175.328 0.080 0.000 1.134 504 H CA -1.917 54.167 56.048 0.060 0.000 1.187 504 H CB 1.944 31.736 29.762 0.051 0.000 1.597 504 H HN 0.054 nan 8.280 nan 0.000 0.524 505 P HA 0.023 nan 4.420 nan 0.000 0.269 505 P C -0.362 177.042 177.300 0.174 0.000 1.209 505 P CA -0.165 63.030 63.100 0.158 0.000 0.776 505 P CB 0.810 32.581 31.700 0.118 0.000 0.876 506 V N 2.900 122.929 119.914 0.191 0.000 2.604 506 V HA 0.261 4.382 4.120 0.002 0.000 0.305 506 V C 0.389 176.594 176.094 0.184 0.000 1.043 506 V CA -0.880 61.549 62.300 0.216 0.000 0.888 506 V CB 1.711 33.731 31.823 0.329 0.000 0.995 506 V HN 0.567 nan 8.190 nan 0.000 0.429 507 N N 2.142 120.936 118.700 0.156 0.000 2.458 507 N HA -0.027 4.714 4.740 0.002 0.000 0.258 507 N C 1.363 176.949 175.510 0.127 0.000 1.219 507 N CA 0.706 53.827 53.050 0.117 0.000 0.902 507 N CB 1.526 40.074 38.487 0.101 0.000 1.076 507 N HN 0.842 nan 8.380 nan 0.000 0.455 508 S N 1.637 117.381 115.700 0.073 0.000 2.515 508 S HA -0.025 4.446 4.470 0.002 0.000 0.231 508 S C 0.778 175.402 174.600 0.039 0.000 0.987 508 S CA 0.040 58.263 58.200 0.038 0.000 0.936 508 S CB 0.021 63.215 63.200 -0.010 0.000 0.766 508 S HN 0.283 nan 8.310 nan 0.000 0.528 509 V N 3.810 123.757 119.914 0.056 0.000 2.356 509 V HA 0.308 4.429 4.120 0.002 0.000 0.258 509 V C 0.079 176.238 176.094 0.109 0.000 1.065 509 V CA -0.457 61.881 62.300 0.064 0.000 0.935 509 V CB 0.132 31.986 31.823 0.053 0.000 1.061 509 V HN 0.441 nan 8.190 nan 0.000 0.484 510 L N 4.705 125.986 121.223 0.098 0.000 2.380 510 L HA 0.358 4.699 4.340 0.002 0.000 0.273 510 L C 0.662 177.637 176.870 0.174 0.000 1.138 510 L CA -0.194 54.667 54.840 0.036 0.000 0.832 510 L CB 0.327 42.164 42.059 -0.370 0.000 1.124 510 L HN 0.539 nan 8.230 nan 0.000 0.454 511 N N 2.839 121.708 118.700 0.282 0.000 2.555 511 N HA 0.118 4.859 4.740 0.002 0.000 0.244 511 N C -0.672 175.066 175.510 0.380 0.000 1.114 511 N CA -0.117 53.145 53.050 0.354 0.000 0.963 511 N CB 1.424 40.081 38.487 0.284 0.000 1.276 511 N HN 0.262 nan 8.380 nan 0.000 0.510 512 V N 2.531 122.656 119.914 0.352 0.000 2.338 512 V HA 0.079 4.201 4.120 0.002 0.000 0.255 512 V C 1.496 177.725 176.094 0.225 0.000 1.082 512 V CA 0.072 62.554 62.300 0.303 0.000 0.951 512 V CB 0.213 32.139 31.823 0.171 0.000 1.102 512 V HN 0.647 nan 8.190 nan 0.000 0.489 513 T N 0.504 115.161 114.554 0.172 0.000 3.003 513 T HA 0.256 4.607 4.350 0.002 0.000 0.261 513 T C 0.544 175.356 174.700 0.186 0.000 1.003 513 T CA -0.251 61.952 62.100 0.173 0.000 0.917 513 T CB 0.512 69.447 68.868 0.112 0.000 1.084 513 T HN 0.441 nan 8.240 nan 0.000 0.522 514 Q N 0.196 120.051 119.800 0.091 0.000 2.240 514 Q HA 0.760 5.101 4.340 0.002 0.000 0.260 514 Q C 1.245 177.256 176.000 0.020 0.000 1.018 514 Q CA -0.210 55.612 55.803 0.033 0.000 0.898 514 Q CB 1.604 30.333 28.738 -0.015 0.000 1.301 514 Q HN 0.195 nan 8.270 nan 0.000 0.469 515 A N 0.510 123.327 122.820 -0.005 0.000 1.933 515 A HA -0.123 4.198 4.320 0.002 0.000 0.218 515 A C 0.599 178.173 177.584 -0.018 0.000 1.175 515 A CA 1.528 53.556 52.037 -0.014 0.000 0.628 515 A CB 0.144 19.129 19.000 -0.024 0.000 0.814 515 A HN 0.645 nan 8.150 nan 0.000 0.444 516 E N -0.643 119.541 120.200 -0.026 0.000 2.343 516 E HA 0.409 4.760 4.350 0.002 0.000 0.278 516 E C -1.646 174.919 176.600 -0.058 0.000 0.910 516 E CA -0.736 55.644 56.400 -0.034 0.000 0.757 516 E CB 1.077 30.753 29.700 -0.039 0.000 1.218 516 E HN 0.452 nan 8.360 nan 0.000 0.435 517 Q N 1.477 121.236 119.800 -0.067 0.000 2.522 517 Q HA 0.440 4.781 4.340 0.002 0.000 0.285 517 Q C -1.464 174.414 176.000 -0.203 0.000 0.982 517 Q CA -0.855 54.841 55.803 -0.177 0.000 0.805 517 Q CB 1.834 30.418 28.738 -0.256 0.000 1.457 517 Q HN 0.393 nan 8.270 nan 0.000 0.394 518 T N 1.672 116.015 114.554 -0.351 0.000 2.829 518 T HA 0.710 5.061 4.350 0.002 0.000 0.280 518 T C -1.110 173.280 174.700 -0.516 0.000 0.999 518 T CA -0.274 61.667 62.100 -0.266 0.000 0.983 518 T CB 0.349 69.112 68.868 -0.174 0.000 0.968 518 T HN 0.365 nan 8.240 nan 0.000 0.446 519 F N 1.668 121.547 119.950 -0.117 0.000 2.493 519 F HA 0.597 5.125 4.527 0.001 0.000 0.329 519 F C -0.172 175.400 175.800 -0.379 0.000 1.126 519 F CA -1.034 56.820 58.000 -0.243 0.000 0.937 519 F CB 1.588 40.509 39.000 -0.131 0.000 1.146 519 F HN 0.168 nan 8.300 nan 0.000 0.442 520 V N 4.084 123.774 119.914 -0.372 0.000 2.459 520 V HA 0.476 4.597 4.120 0.002 0.000 0.295 520 V C -0.714 175.070 176.094 -0.516 0.000 1.029 520 V CA -0.940 61.184 62.300 -0.293 0.000 0.874 520 V CB 1.522 33.262 31.823 -0.138 0.000 0.985 520 V HN 0.480 nan 8.190 nan 0.000 0.438 521 F N 2.909 122.959 119.950 0.167 0.000 2.520 521 F HA 0.651 5.179 4.527 0.001 0.000 0.322 521 F C 0.107 176.001 175.800 0.156 0.000 1.103 521 F CA -0.868 57.237 58.000 0.176 0.000 0.926 521 F CB 1.792 40.926 39.000 0.223 0.000 1.154 521 F HN 0.665 nan 8.300 nan 0.000 0.453 522 D N -0.394 120.173 120.400 0.278 0.000 2.525 522 D HA 0.283 4.924 4.640 0.002 0.000 0.249 522 D C -0.176 176.244 176.300 0.200 0.000 1.072 522 D CA -0.858 53.260 54.000 0.197 0.000 1.067 522 D CB 0.493 41.363 40.800 0.116 0.000 1.282 522 D HN 0.523 nan 8.370 nan 0.000 0.587 523 N N -1.480 117.321 118.700 0.169 0.000 2.721 523 N HA -0.125 4.616 4.740 0.002 0.000 0.249 523 N C -0.849 174.796 175.510 0.224 0.000 1.072 523 N CA 0.491 53.655 53.050 0.191 0.000 0.710 523 N CB -1.030 37.559 38.487 0.169 0.000 0.993 523 N HN 0.296 nan 8.380 nan 0.000 0.547 524 V N 2.522 122.564 119.914 0.213 0.000 2.322 524 V HA 0.051 4.173 4.120 0.002 0.000 0.258 524 V C 1.169 177.369 176.094 0.175 0.000 1.074 524 V CA -0.417 61.956 62.300 0.122 0.000 0.909 524 V CB -0.414 31.548 31.823 0.231 0.000 1.090 524 V HN 0.315 nan 8.190 nan 0.000 0.486 525 Y N 2.789 123.207 120.300 0.197 0.000 2.561 525 Y HA 0.398 4.949 4.550 0.002 0.000 0.291 525 Y C 0.249 176.311 175.900 0.270 0.000 1.141 525 Y CA -0.494 57.733 58.100 0.210 0.000 1.303 525 Y CB -0.215 38.337 38.460 0.152 0.000 1.015 525 Y HN 0.380 nan 8.280 nan 0.000 0.547 526 F N 1.335 121.138 119.950 -0.246 0.000 2.601 526 F HA 0.336 4.863 4.527 0.002 0.000 0.309 526 F C -0.427 174.943 175.800 -0.717 0.000 1.089 526 F CA -1.892 55.947 58.000 -0.268 0.000 0.940 526 F CB 1.605 40.502 39.000 -0.172 0.000 1.273 526 F HN -0.170 nan 8.300 nan 0.000 0.450 527 Q N 6.604 125.631 119.800 -1.289 0.000 2.239 527 Q HA 0.152 4.493 4.340 0.002 0.000 0.286 527 Q C -2.365 173.296 176.000 -0.564 0.000 1.102 527 Q CA -1.303 53.702 55.803 -1.330 0.000 0.936 527 Q CB 0.510 28.706 28.738 -0.902 0.000 1.127 527 Q HN 0.186 nan 8.270 nan 0.000 0.380 528 P HA 0.094 nan 4.420 nan 0.000 0.279 528 P C -1.065 176.061 177.300 -0.290 0.000 1.252 528 P CA -0.379 62.457 63.100 -0.440 0.000 0.811 528 P CB 1.050 32.334 31.700 -0.693 0.000 1.035 529 V N 4.166 123.966 119.914 -0.190 0.000 2.364 529 V HA 0.283 4.404 4.120 0.002 0.000 0.272 529 V C -1.864 174.294 176.094 0.107 0.000 1.036 529 V CA -1.681 60.580 62.300 -0.066 0.000 0.880 529 V CB 0.933 32.601 31.823 -0.257 0.000 0.991 529 V HN 0.593 nan 8.190 nan 0.000 0.460 530 P HA 0.449 nan 4.420 nan 0.000 0.288 530 P C -0.906 176.590 177.300 0.327 0.000 1.267 530 P CA -0.496 62.682 63.100 0.131 0.000 0.815 530 P CB 1.724 33.438 31.700 0.024 0.000 0.989 531 A N 4.441 127.447 122.820 0.310 0.000 2.260 531 A HA 0.615 4.936 4.320 0.002 0.000 0.314 531 A C -0.267 177.430 177.584 0.189 0.000 1.257 531 A CA -0.686 51.537 52.037 0.309 0.000 0.871 531 A CB -0.031 19.184 19.000 0.358 0.000 1.166 531 A HN 0.508 nan 8.150 nan 0.000 0.522 532 L N 2.255 123.612 121.223 0.223 0.000 2.334 532 L HA 0.504 4.845 4.340 0.002 0.000 0.273 532 L C 0.035 176.855 176.870 -0.083 0.000 1.013 532 L CA -1.080 53.794 54.840 0.055 0.000 0.816 532 L CB 1.633 43.798 42.059 0.177 0.000 1.278 532 L HN 0.732 nan 8.230 nan 0.000 0.431 533 L N 2.434 123.290 121.223 -0.611 0.000 3.677 533 L HA -0.222 4.119 4.340 0.002 0.000 0.464 533 L C -0.212 176.606 176.870 -0.087 0.000 1.278 533 L CA 0.227 54.773 54.840 -0.489 0.000 0.806 533 L CB -1.085 40.867 42.059 -0.179 0.000 1.610 533 L HN 0.714 nan 8.230 nan 0.000 0.867 534 C N 2.069 121.318 119.300 -0.086 0.000 2.634 534 C HA 0.192 4.653 4.460 0.002 0.000 0.417 534 C C 1.676 176.672 174.990 0.010 0.000 1.334 534 C CA 0.070 59.128 59.018 0.067 0.000 1.829 534 C CB 0.358 28.124 27.740 0.043 0.000 2.665 534 C HN 0.808 nan 8.230 nan 0.000 0.614 535 E N 0.645 120.849 120.200 0.006 0.000 3.065 535 E HA -0.281 4.070 4.350 0.002 0.000 0.277 535 E C 0.283 176.616 176.600 -0.444 0.000 1.008 535 E CA 1.061 57.225 56.400 -0.392 0.000 0.864 535 E CB -1.776 27.820 29.700 -0.175 0.000 1.439 535 E HN 0.981 nan 8.360 nan 0.000 0.445 536 F N -0.068 119.640 119.950 -0.402 0.000 2.797 536 F HA -0.317 4.211 4.527 0.002 0.000 0.273 536 F C 1.330 177.058 175.800 -0.118 0.000 1.020 536 F CA 1.058 58.966 58.000 -0.152 0.000 0.961 536 F CB -1.481 37.409 39.000 -0.183 0.000 1.020 536 F HN 0.147 nan 8.300 nan 0.000 0.840 537 S N 0.439 116.022 115.700 -0.194 0.000 2.507 537 S HA 0.480 4.951 4.470 0.002 0.000 0.235 537 S C 0.858 175.327 174.600 -0.217 0.000 0.988 537 S CA 0.501 58.595 58.200 -0.177 0.000 0.944 537 S CB 0.099 63.215 63.200 -0.140 0.000 0.762 537 S HN 1.586 nan 8.310 nan 0.000 0.526 538 A N 1.459 124.066 122.820 -0.354 0.000 2.549 538 A HA 0.684 5.005 4.320 0.002 0.000 0.297 538 A C -3.156 174.067 177.584 -0.601 0.000 1.061 538 A CA -1.837 50.001 52.037 -0.331 0.000 0.690 538 A CB 1.162 20.160 19.000 -0.004 0.000 1.287 538 A HN 0.129 nan 8.150 nan 0.000 0.402 539 P HA 0.330 nan 4.420 nan 0.000 0.244 539 P C -0.372 177.046 177.300 0.197 0.000 1.769 539 P CA 0.236 63.243 63.100 -0.154 0.000 1.102 539 P CB -0.251 31.509 31.700 0.101 0.000 1.937 540 V N -0.378 119.631 119.914 0.159 0.000 3.130 540 V HA 0.591 4.712 4.120 0.002 0.000 0.310 540 V C -0.428 175.895 176.094 0.382 0.000 1.158 540 V CA -1.568 60.860 62.300 0.214 0.000 1.029 540 V CB 2.496 34.439 31.823 0.202 0.000 1.057 540 V HN -0.028 nan 8.190 nan 0.000 0.436 541 K N 2.099 122.626 120.400 0.212 0.000 2.234 541 K HA 0.645 4.966 4.320 0.002 0.000 0.282 541 K C -0.917 175.850 176.600 0.278 0.000 1.039 541 K CA -0.426 56.040 56.287 0.299 0.000 0.928 541 K CB 1.555 34.142 32.500 0.146 0.000 1.039 541 K HN 0.655 nan 8.250 nan 0.000 0.470 542 L N 2.559 123.984 121.223 0.337 0.000 2.282 542 L HA 0.244 4.585 4.340 0.002 0.000 0.288 542 L C -0.883 176.155 176.870 0.281 0.000 1.033 542 L CA 0.130 55.173 54.840 0.338 0.000 0.807 542 L CB 1.128 43.443 42.059 0.427 0.000 1.209 542 L HN 0.569 nan 8.230 nan 0.000 0.423 543 E N 5.313 125.644 120.200 0.218 0.000 2.102 543 E HA 0.295 4.646 4.350 0.002 0.000 0.263 543 E C -1.891 174.802 176.600 0.154 0.000 0.894 543 E CA -0.391 56.104 56.400 0.158 0.000 0.746 543 E CB 1.541 31.293 29.700 0.086 0.000 1.129 543 E HN 0.549 nan 8.360 nan 0.000 0.416 544 Y N 1.535 121.803 120.300 -0.054 0.000 2.470 544 Y HA 0.219 4.770 4.550 0.002 0.000 0.341 544 Y C -0.871 174.827 175.900 -0.336 0.000 1.021 544 Y CA -1.039 56.889 58.100 -0.285 0.000 1.025 544 Y CB 1.510 39.627 38.460 -0.570 0.000 1.266 544 Y HN 0.207 nan 8.280 nan 0.000 0.448 545 K N 6.347 126.230 120.400 -0.861 0.000 2.155 545 K HA 0.131 4.452 4.320 0.002 0.000 0.240 545 K C -1.173 175.147 176.600 -0.466 0.000 1.193 545 K CA -0.236 55.748 56.287 -0.504 0.000 1.104 545 K CB -0.026 32.244 32.500 -0.384 0.000 1.558 545 K HN 0.644 nan 8.250 nan 0.000 0.313 546 W N 1.610 122.908 121.300 -0.003 0.000 2.170 546 W HA -0.065 4.596 4.660 0.002 0.000 0.342 546 W C 1.142 177.703 176.519 0.070 0.000 1.294 546 W CA -0.389 57.056 57.345 0.166 0.000 1.246 546 W CB 0.473 30.058 29.460 0.209 0.000 1.156 546 W HN 0.385 nan 8.180 nan 0.000 0.572 547 S N 0.972 116.891 115.700 0.366 0.000 2.646 547 S HA 0.167 4.638 4.470 0.002 0.000 0.276 547 S C 0.607 175.355 174.600 0.247 0.000 1.222 547 S CA -0.689 57.650 58.200 0.231 0.000 1.014 547 S CB 1.551 64.843 63.200 0.154 0.000 0.991 547 S HN 0.514 nan 8.310 nan 0.000 0.533 548 D N 1.004 121.529 120.400 0.209 0.000 2.149 548 D HA -0.101 4.540 4.640 0.002 0.000 0.198 548 D C 1.998 178.386 176.300 0.146 0.000 0.990 548 D CA 1.614 55.746 54.000 0.221 0.000 0.839 548 D CB -0.245 40.764 40.800 0.349 0.000 0.948 548 D HN 0.706 nan 8.370 nan 0.000 0.460 549 Q N -0.020 119.840 119.800 0.101 0.000 2.119 549 Q HA -0.116 4.225 4.340 0.002 0.000 0.201 549 Q C 2.226 178.308 176.000 0.137 0.000 0.972 549 Q CA 0.810 56.662 55.803 0.082 0.000 0.847 549 Q CB -0.040 28.720 28.738 0.037 0.000 0.903 549 Q HN 0.428 nan 8.270 nan 0.000 0.433 550 Q N 0.375 120.273 119.800 0.164 0.000 2.061 550 Q HA -0.175 4.166 4.340 0.002 0.000 0.204 550 Q C 2.167 178.267 176.000 0.166 0.000 0.984 550 Q CA 1.198 57.127 55.803 0.210 0.000 0.846 550 Q CB -0.127 28.855 28.738 0.407 0.000 0.902 550 Q HN 0.386 nan 8.270 nan 0.000 0.421 551 L N 0.173 121.434 121.223 0.063 0.000 2.017 551 L HA -0.179 4.162 4.340 0.002 0.000 0.208 551 L C 2.761 179.577 176.870 -0.090 0.000 1.073 551 L CA 1.632 56.393 54.840 -0.133 0.000 0.745 551 L CB -0.977 40.967 42.059 -0.193 0.000 0.894 551 L HN 0.411 nan 8.230 nan 0.000 0.432 552 T N -2.709 111.835 114.554 -0.016 0.000 2.867 552 T HA -0.233 4.118 4.350 0.002 0.000 0.268 552 T C 1.722 176.399 174.700 -0.038 0.000 1.057 552 T CA 0.896 62.960 62.100 -0.060 0.000 1.136 552 T CB -0.713 68.141 68.868 -0.024 0.000 0.874 552 T HN 0.259 nan 8.240 nan 0.000 0.466 553 F N 2.020 121.925 119.950 -0.076 0.000 2.095 553 F HA 0.065 4.593 4.527 0.002 0.000 0.298 553 F C 1.986 177.725 175.800 -0.101 0.000 1.104 553 F CA 1.195 59.181 58.000 -0.023 0.000 1.232 553 F CB -0.326 38.702 39.000 0.046 0.000 0.987 553 F HN 0.057 nan 8.300 nan 0.000 0.475 554 L N -0.303 120.962 121.223 0.070 0.000 2.083 554 L HA -0.258 4.083 4.340 0.002 0.000 0.209 554 L C 2.521 179.237 176.870 -0.257 0.000 1.083 554 L CA 1.426 56.183 54.840 -0.139 0.000 0.752 554 L CB -0.637 41.346 42.059 -0.126 0.000 0.899 554 L HN 0.248 nan 8.230 nan 0.000 0.433 555 M N -0.825 118.624 119.600 -0.252 0.000 2.202 555 M HA -0.236 4.245 4.480 0.002 0.000 0.262 555 M C 2.426 178.535 176.300 -0.317 0.000 1.063 555 M CA 1.692 56.825 55.300 -0.278 0.000 1.097 555 M CB -0.334 32.084 32.600 -0.302 0.000 1.382 555 M HN 0.192 nan 8.290 nan 0.000 0.413 556 R N -0.932 119.313 120.500 -0.424 0.000 2.112 556 R HA -0.059 4.282 4.340 0.002 0.000 0.216 556 R C 1.690 177.572 176.300 -0.697 0.000 1.080 556 R CA 1.049 56.796 56.100 -0.590 0.000 0.996 556 R CB 0.153 29.995 30.300 -0.763 0.000 0.902 556 R HN 0.401 nan 8.270 nan 0.000 0.449 557 H N -0.526 118.222 119.070 -0.537 0.000 2.750 557 H HA 0.328 4.886 4.556 0.002 0.000 0.263 557 H C 0.047 175.065 175.328 -0.516 0.000 0.964 557 H CA 0.394 56.088 56.048 -0.589 0.000 1.205 557 H CB 0.504 29.664 29.762 -1.003 0.000 1.454 557 H HN 0.216 nan 8.280 nan 0.000 0.503 558 A N 1.638 124.226 122.820 -0.386 0.000 2.511 558 A HA 0.045 4.366 4.320 0.002 0.000 0.242 558 A C 1.471 179.032 177.584 -0.038 0.000 1.069 558 A CA -0.146 51.709 52.037 -0.304 0.000 0.763 558 A CB 0.411 19.312 19.000 -0.164 0.000 1.001 558 A HN 0.329 nan 8.150 nan 0.000 0.498 559 R N 1.197 121.796 120.500 0.164 0.000 2.075 559 R HA -0.079 4.262 4.340 0.002 0.000 0.232 559 R C 0.628 176.988 176.300 0.099 0.000 1.126 559 R CA 0.979 57.169 56.100 0.151 0.000 0.963 559 R CB -0.065 30.356 30.300 0.202 0.000 0.858 559 R HN 0.829 nan 8.270 nan 0.000 0.435 560 N N 1.011 119.785 118.700 0.123 0.000 2.479 560 N HA -0.037 4.704 4.740 0.002 0.000 0.285 560 N C -0.232 175.343 175.510 0.108 0.000 1.075 560 N CA -0.004 53.116 53.050 0.117 0.000 0.967 560 N CB 1.490 40.071 38.487 0.157 0.000 1.137 560 N HN -0.054 nan 8.380 nan 0.000 0.472 561 D N 2.142 122.595 120.400 0.089 0.000 2.182 561 D HA -0.170 4.471 4.640 0.002 0.000 0.201 561 D C 1.374 177.743 176.300 0.115 0.000 0.986 561 D CA 0.981 55.022 54.000 0.069 0.000 0.847 561 D CB -0.182 40.644 40.800 0.042 0.000 0.942 561 D HN 0.608 nan 8.370 nan 0.000 0.467 562 F N 1.421 121.404 119.950 0.055 0.000 2.126 562 F HA -0.219 4.310 4.527 0.002 0.000 0.299 562 F C 2.331 178.239 175.800 0.179 0.000 1.096 562 F CA 1.268 59.336 58.000 0.113 0.000 1.255 562 F CB -0.123 38.926 39.000 0.081 0.000 0.997 562 F HN -0.170 nan 8.300 nan 0.000 0.479 563 S N 0.471 116.262 115.700 0.153 0.000 2.382 563 S HA -0.174 4.297 4.470 0.002 0.000 0.228 563 S C 1.917 176.446 174.600 -0.118 0.000 1.027 563 S CA 1.328 59.549 58.200 0.035 0.000 0.991 563 S CB -0.317 62.956 63.200 0.122 0.000 0.823 563 S HN 0.423 nan 8.310 nan 0.000 0.469 564 R N -0.397 120.052 120.500 -0.084 0.000 2.066 564 R HA -0.114 4.227 4.340 0.002 0.000 0.232 564 R C 2.141 178.354 176.300 -0.145 0.000 1.131 564 R CA 1.581 57.603 56.100 -0.131 0.000 0.955 564 R CB -0.378 29.863 30.300 -0.098 0.000 0.851 564 R HN 0.533 nan 8.270 nan 0.000 0.432 565 W N 2.405 123.530 121.300 -0.292 0.000 2.358 565 W HA -0.193 4.468 4.660 0.002 0.000 0.303 565 W C 1.706 178.006 176.519 -0.365 0.000 1.208 565 W CA 1.717 58.882 57.345 -0.299 0.000 1.274 565 W CB -0.333 28.943 29.460 -0.307 0.000 1.138 565 W HN 0.015 nan 8.180 nan 0.000 0.515 566 D N -0.022 120.071 120.400 -0.512 0.000 2.144 566 D HA -0.166 4.475 4.640 0.002 0.000 0.200 566 D C 2.260 178.225 176.300 -0.558 0.000 0.978 566 D CA 2.020 55.608 54.000 -0.686 0.000 0.833 566 D CB -0.579 39.896 40.800 -0.542 0.000 0.961 566 D HN 0.153 nan 8.370 nan 0.000 0.470 567 A N 0.553 123.099 122.820 -0.456 0.000 1.902 567 A HA -0.004 4.317 4.320 0.002 0.000 0.217 567 A C 2.374 179.702 177.584 -0.426 0.000 1.181 567 A CA 2.234 53.986 52.037 -0.474 0.000 0.623 567 A CB -0.976 17.785 19.000 -0.399 0.000 0.818 567 A HN 0.288 nan 8.150 nan 0.000 0.443 568 A N -1.054 121.513 122.820 -0.422 0.000 1.933 568 A HA -0.187 4.134 4.320 0.002 0.000 0.218 568 A C 2.094 179.493 177.584 -0.307 0.000 1.175 568 A CA 1.740 53.571 52.037 -0.343 0.000 0.628 568 A CB -0.435 18.363 19.000 -0.336 0.000 0.814 568 A HN 0.498 nan 8.150 nan 0.000 0.444 569 Q N 0.105 119.563 119.800 -0.569 0.000 2.079 569 Q HA -0.086 4.255 4.340 0.002 0.000 0.200 569 Q C 2.379 178.205 176.000 -0.290 0.000 0.974 569 Q CA 1.772 57.266 55.803 -0.514 0.000 0.840 569 Q CB -0.844 27.392 28.738 -0.837 0.000 0.898 569 Q HN 0.627 nan 8.270 nan 0.000 0.430 570 S N 1.154 116.671 115.700 -0.304 0.000 2.383 570 S HA -0.095 4.376 4.470 0.002 0.000 0.227 570 S C 1.886 176.413 174.600 -0.123 0.000 1.026 570 S CA 0.682 58.758 58.200 -0.206 0.000 0.981 570 S CB -0.223 62.759 63.200 -0.364 0.000 0.818 570 S HN 0.222 nan 8.310 nan 0.000 0.472 571 L N 1.793 122.945 121.223 -0.118 0.000 2.017 571 L HA 0.022 4.363 4.340 0.002 0.000 0.208 571 L C 1.919 178.882 176.870 0.154 0.000 1.073 571 L CA 1.629 56.495 54.840 0.044 0.000 0.745 571 L CB -0.608 41.475 42.059 0.040 0.000 0.894 571 L HN 0.262 nan 8.230 nan 0.000 0.432 572 L N -0.789 120.496 121.223 0.102 0.000 2.093 572 L HA -0.144 4.197 4.340 0.002 0.000 0.208 572 L C 2.681 179.581 176.870 0.050 0.000 1.085 572 L CA 1.053 55.965 54.840 0.119 0.000 0.755 572 L CB -0.946 41.143 42.059 0.050 0.000 0.904 572 L HN 0.356 nan 8.230 nan 0.000 0.435 573 A N -0.170 122.633 122.820 -0.030 0.000 1.892 573 A HA -0.267 4.054 4.320 0.002 0.000 0.218 573 A C 2.385 179.902 177.584 -0.112 0.000 1.188 573 A CA 2.614 54.606 52.037 -0.075 0.000 0.631 573 A CB -1.103 17.846 19.000 -0.084 0.000 0.822 573 A HN 0.402 nan 8.150 nan 0.000 0.447 574 T N -1.211 113.246 114.554 -0.162 0.000 2.720 574 T HA -0.187 4.164 4.350 0.002 0.000 0.268 574 T C 1.650 176.066 174.700 -0.474 0.000 1.037 574 T CA 2.054 63.938 62.100 -0.360 0.000 1.144 574 T CB -0.444 68.106 68.868 -0.530 0.000 0.864 574 T HN 0.619 nan 8.240 nan 0.000 0.444 575 Y N 0.208 120.517 120.300 0.014 0.000 2.420 575 Y HA 0.294 4.845 4.550 0.002 0.000 0.292 575 Y C 2.070 177.987 175.900 0.029 0.000 1.119 575 Y CA -0.369 57.741 58.100 0.016 0.000 1.229 575 Y CB -0.509 37.950 38.460 -0.002 0.000 1.026 575 Y HN 0.186 nan 8.280 nan 0.000 0.554 576 I N 0.153 120.789 120.570 0.110 0.000 2.179 576 I HA -0.312 3.859 4.170 0.002 0.000 0.242 576 I C 2.197 178.429 176.117 0.193 0.000 1.088 576 I CA 1.552 62.926 61.300 0.124 0.000 1.357 576 I CB -0.302 37.754 38.000 0.093 0.000 1.051 576 I HN 0.109 nan 8.210 nan 0.000 0.409 577 K N 0.296 120.748 120.400 0.088 0.000 2.026 577 K HA -0.208 4.113 4.320 0.002 0.000 0.208 577 K C 2.122 178.818 176.600 0.161 0.000 1.048 577 K CA 1.329 57.699 56.287 0.139 0.000 0.929 577 K CB -0.415 32.030 32.500 -0.091 0.000 0.713 577 K HN 0.122 nan 8.250 nan 0.000 0.439 578 L N 2.203 123.465 121.223 0.065 0.000 1.990 578 L HA -0.236 4.105 4.340 0.002 0.000 0.213 578 L C 1.578 178.519 176.870 0.119 0.000 1.072 578 L CA 1.875 56.763 54.840 0.080 0.000 0.755 578 L CB -0.552 41.556 42.059 0.083 0.000 0.889 578 L HN 0.197 nan 8.230 nan 0.000 0.432 579 N N -0.946 117.836 118.700 0.137 0.000 2.354 579 N HA -0.079 4.662 4.740 0.002 0.000 0.179 579 N C 1.832 177.416 175.510 0.123 0.000 1.021 579 N CA 1.358 54.482 53.050 0.123 0.000 0.887 579 N CB -0.039 38.515 38.487 0.111 0.000 0.974 579 N HN 0.298 nan 8.380 nan 0.000 0.437 580 V N 1.804 121.797 119.914 0.131 0.000 2.307 580 V HA -0.187 3.935 4.120 0.002 0.000 0.245 580 V C 2.519 178.656 176.094 0.072 0.000 1.045 580 V CA 1.784 64.115 62.300 0.052 0.000 1.024 580 V CB -0.855 30.920 31.823 -0.079 0.000 0.651 580 V HN 0.245 nan 8.190 nan 0.000 0.449 581 A N -0.014 122.870 122.820 0.106 0.000 1.908 581 A HA -0.251 4.070 4.320 0.002 0.000 0.218 581 A C 2.370 179.998 177.584 0.074 0.000 1.181 581 A CA 1.981 54.069 52.037 0.084 0.000 0.627 581 A CB -0.500 18.554 19.000 0.091 0.000 0.818 581 A HN 0.523 nan 8.150 nan 0.000 0.445 582 R N -1.671 118.880 120.500 0.084 0.000 2.073 582 R HA -0.143 4.198 4.340 0.002 0.000 0.234 582 R C 2.352 178.687 176.300 0.059 0.000 1.134 582 R CA 1.320 57.459 56.100 0.065 0.000 0.952 582 R CB -0.641 29.700 30.300 0.069 0.000 0.850 582 R HN 0.761 nan 8.270 nan 0.000 0.433 583 H N 1.539 120.611 119.070 0.003 0.000 2.319 583 H HA -0.167 4.390 4.556 0.002 0.000 0.297 583 H C 1.685 177.003 175.328 -0.016 0.000 1.097 583 H CA 1.950 57.992 56.048 -0.011 0.000 1.285 583 H CB 0.167 29.915 29.762 -0.024 0.000 1.368 583 H HN 0.310 nan 8.280 nan 0.000 0.495 584 Q N -0.108 119.762 119.800 0.118 0.000 2.291 584 Q HA -0.138 4.203 4.340 0.002 0.000 0.206 584 Q C 1.680 177.674 176.000 -0.009 0.000 0.976 584 Q CA 1.213 57.051 55.803 0.059 0.000 0.875 584 Q CB 0.098 28.867 28.738 0.052 0.000 0.927 584 Q HN 0.639 nan 8.270 nan 0.000 0.450 585 Q N -1.008 118.781 119.800 -0.018 0.000 2.280 585 Q HA 0.172 4.513 4.340 0.002 0.000 0.201 585 Q C 0.511 176.478 176.000 -0.054 0.000 0.890 585 Q CA 0.282 56.070 55.803 -0.025 0.000 0.947 585 Q CB 0.983 29.719 28.738 -0.003 0.000 1.081 585 Q HN 0.439 nan 8.270 nan 0.000 0.502 586 G N 1.276 110.008 108.800 -0.112 0.000 2.176 586 G HA2 -0.307 3.654 3.960 0.002 0.000 0.252 586 G HA3 -0.307 3.654 3.960 0.002 0.000 0.252 586 G C -0.252 174.592 174.900 -0.093 0.000 1.024 586 G CA 0.083 45.100 45.100 -0.138 0.000 0.755 586 G HN 0.327 nan 8.290 nan 0.000 0.507 587 Q N 0.249 120.009 119.800 -0.067 0.000 2.266 587 Q HA 0.610 4.952 4.340 0.002 0.000 0.261 587 Q C -1.966 174.026 176.000 -0.013 0.000 0.985 587 Q CA -1.857 53.930 55.803 -0.028 0.000 0.873 587 Q CB 2.329 31.064 28.738 -0.004 0.000 1.306 587 Q HN 0.300 nan 8.270 nan 0.000 0.447 588 P HA 0.090 nan 4.420 nan 0.000 0.276 588 P C -0.790 176.525 177.300 0.026 0.000 1.261 588 P CA -0.673 62.434 63.100 0.011 0.000 0.800 588 P CB 0.710 32.413 31.700 0.005 0.000 1.066 589 L N 0.600 121.841 121.223 0.030 0.000 2.525 589 L HA 0.140 4.481 4.340 0.002 0.000 0.278 589 L C 0.438 177.319 176.870 0.019 0.000 1.218 589 L CA 1.055 55.913 54.840 0.031 0.000 0.878 589 L CB 0.152 42.220 42.059 0.017 0.000 1.127 589 L HN 0.411 nan 8.230 nan 0.000 0.492 590 S N 5.079 120.797 115.700 0.030 0.000 2.532 590 S HA 0.757 5.228 4.470 0.002 0.000 0.299 590 S C -1.254 173.341 174.600 -0.007 0.000 1.105 590 S CA -0.698 57.513 58.200 0.017 0.000 1.018 590 S CB 1.066 64.293 63.200 0.045 0.000 1.021 590 S HN 0.593 nan 8.310 nan 0.000 0.483 591 L N 5.908 127.078 121.223 -0.090 0.000 2.516 591 L HA 0.632 4.973 4.340 0.002 0.000 0.267 591 L C -2.608 174.085 176.870 -0.296 0.000 0.957 591 L CA -1.150 53.543 54.840 -0.244 0.000 0.860 591 L CB 1.823 43.749 42.059 -0.221 0.000 1.265 591 L HN 0.507 nan 8.230 nan 0.000 0.403 592 P HA 0.150 nan 4.420 nan 0.000 0.269 592 P C 0.989 178.054 177.300 -0.391 0.000 1.209 592 P CA -0.448 62.404 63.100 -0.413 0.000 0.776 592 P CB 0.816 32.110 31.700 -0.677 0.000 0.876 593 V N 2.218 122.010 119.914 -0.204 0.000 2.324 593 V HA -0.299 3.822 4.120 0.002 0.000 0.250 593 V C 2.286 178.314 176.094 -0.109 0.000 1.060 593 V CA 2.317 64.549 62.300 -0.114 0.000 1.042 593 V CB -1.599 30.210 31.823 -0.024 0.000 0.650 593 V HN 0.777 nan 8.190 nan 0.000 0.450 594 H N -0.766 118.272 119.070 -0.052 0.000 2.489 594 H HA -0.039 4.518 4.556 0.002 0.000 0.293 594 H C 2.133 177.436 175.328 -0.043 0.000 1.066 594 H CA 1.645 57.671 56.048 -0.037 0.000 1.305 594 H CB -0.574 29.178 29.762 -0.017 0.000 1.386 594 H HN 0.370 nan 8.280 nan 0.000 0.551 595 V N 1.938 121.640 119.914 -0.353 0.000 2.283 595 V HA -0.181 3.940 4.120 0.002 0.000 0.243 595 V C 3.231 179.348 176.094 0.039 0.000 1.039 595 V CA 1.600 63.801 62.300 -0.164 0.000 1.016 595 V CB -1.119 30.475 31.823 -0.381 0.000 0.650 595 V HN 0.615 nan 8.190 nan 0.000 0.449 596 A N 0.059 122.851 122.820 -0.046 0.000 1.948 596 A HA -0.303 4.018 4.320 0.002 0.000 0.220 596 A C 1.960 179.572 177.584 0.048 0.000 1.177 596 A CA 2.242 54.284 52.037 0.008 0.000 0.636 596 A CB -0.729 18.230 19.000 -0.068 0.000 0.815 596 A HN 0.553 nan 8.150 nan 0.000 0.449 597 D N -0.056 120.350 120.400 0.009 0.000 2.149 597 D HA -0.068 4.573 4.640 0.002 0.000 0.198 597 D C 2.226 178.509 176.300 -0.027 0.000 0.990 597 D CA 1.474 55.474 54.000 -0.000 0.000 0.839 597 D CB -0.433 40.375 40.800 0.012 0.000 0.948 597 D HN 0.450 nan 8.370 nan 0.000 0.460 598 A N 0.053 122.842 122.820 -0.053 0.000 1.902 598 A HA -0.159 4.162 4.320 0.002 0.000 0.217 598 A C 2.022 179.406 177.584 -0.333 0.000 1.181 598 A CA 1.035 52.944 52.037 -0.213 0.000 0.623 598 A CB -0.919 17.900 19.000 -0.301 0.000 0.818 598 A HN 0.174 nan 8.150 nan 0.000 0.443 599 F N -0.627 119.263 119.950 -0.100 0.000 2.259 599 F HA 0.003 4.532 4.527 0.002 0.000 0.298 599 F C 2.385 178.116 175.800 -0.114 0.000 1.088 599 F CA 1.339 59.271 58.000 -0.113 0.000 1.358 599 F CB -0.269 38.642 39.000 -0.147 0.000 1.040 599 F HN 0.144 nan 8.300 nan 0.000 0.505 600 R N 0.750 121.272 120.500 0.038 0.000 2.083 600 R HA -0.202 4.139 4.340 0.002 0.000 0.237 600 R C 2.368 178.645 176.300 -0.038 0.000 1.137 600 R CA 1.490 57.582 56.100 -0.013 0.000 0.951 600 R CB -0.559 29.729 30.300 -0.020 0.000 0.851 600 R HN 0.268 nan 8.270 nan 0.000 0.434 601 A N 0.188 122.968 122.820 -0.067 0.000 1.940 601 A HA -0.124 4.197 4.320 0.002 0.000 0.219 601 A C 2.279 179.806 177.584 -0.095 0.000 1.176 601 A CA 1.694 53.678 52.037 -0.089 0.000 0.631 601 A CB -0.546 18.382 19.000 -0.120 0.000 0.814 601 A HN 0.248 nan 8.150 nan 0.000 0.446 602 V N -0.106 119.741 119.914 -0.112 0.000 2.295 602 V HA -0.260 3.861 4.120 0.002 0.000 0.246 602 V C 2.549 178.623 176.094 -0.034 0.000 1.049 602 V CA 1.941 64.187 62.300 -0.089 0.000 1.024 602 V CB -0.743 31.019 31.823 -0.102 0.000 0.648 602 V HN 0.581 nan 8.190 nan 0.000 0.447 603 L N -0.776 120.440 121.223 -0.011 0.000 2.042 603 L HA -0.189 4.152 4.340 0.002 0.000 0.210 603 L C 2.161 179.028 176.870 -0.004 0.000 1.076 603 L CA 1.632 56.475 54.840 0.006 0.000 0.749 603 L CB -0.263 41.797 42.059 0.003 0.000 0.893 603 L HN 0.322 nan 8.230 nan 0.000 0.432 604 L N -1.399 119.811 121.223 -0.020 0.000 2.567 604 L HA 0.041 4.382 4.340 0.002 0.000 0.225 604 L C 0.518 177.370 176.870 -0.030 0.000 1.119 604 L CA -0.297 54.530 54.840 -0.021 0.000 0.871 604 L CB -0.205 41.840 42.059 -0.023 0.000 1.036 604 L HN 0.119 nan 8.230 nan 0.000 0.459 605 D N 1.366 121.741 120.400 -0.042 0.000 2.358 605 D HA -0.041 4.600 4.640 0.002 0.000 0.258 605 D C 0.927 177.204 176.300 -0.038 0.000 1.223 605 D CA 0.354 54.323 54.000 -0.052 0.000 0.886 605 D CB 1.030 41.785 40.800 -0.074 0.000 1.120 605 D HN 0.235 nan 8.370 nan 0.000 0.482 606 E N 2.530 122.710 120.200 -0.034 0.000 2.208 606 E HA -0.121 4.230 4.350 0.002 0.000 0.193 606 E C 1.271 177.854 176.600 -0.028 0.000 0.988 606 E CA 0.706 57.091 56.400 -0.025 0.000 0.828 606 E CB 0.373 30.060 29.700 -0.022 0.000 0.763 606 E HN 0.454 nan 8.360 nan 0.000 0.478 607 K N 0.533 120.911 120.400 -0.037 0.000 2.305 607 K HA 0.101 4.422 4.320 0.002 0.000 0.199 607 K C 0.990 177.568 176.600 -0.037 0.000 1.047 607 K CA -0.002 56.263 56.287 -0.036 0.000 0.976 607 K CB 0.318 32.792 32.500 -0.043 0.000 0.765 607 K HN 0.084 nan 8.250 nan 0.000 0.474 608 I N 2.272 122.817 120.570 -0.042 0.000 2.588 608 I HA -0.069 4.102 4.170 0.002 0.000 0.283 608 I C -0.022 176.080 176.117 -0.025 0.000 1.119 608 I CA -0.278 60.999 61.300 -0.039 0.000 1.419 608 I CB 0.516 38.487 38.000 -0.047 0.000 1.394 608 I HN 0.074 nan 8.210 nan 0.000 0.562 609 D N 10.155 130.543 120.400 -0.021 0.000 2.472 609 D HA 0.018 4.659 4.640 0.002 0.000 0.248 609 D C -1.574 174.721 176.300 -0.009 0.000 1.174 609 D CA -1.716 52.275 54.000 -0.016 0.000 0.883 609 D CB 1.261 42.051 40.800 -0.016 0.000 1.149 609 D HN 0.301 nan 8.370 nan 0.000 0.488 610 P HA -0.164 nan 4.420 nan 0.000 0.218 610 P C 0.973 178.277 177.300 0.006 0.000 1.146 610 P CA 1.330 64.431 63.100 0.002 0.000 0.813 610 P CB 0.060 31.758 31.700 -0.004 0.000 0.778 611 A N -0.249 122.568 122.820 -0.005 0.000 1.902 611 A HA -0.178 4.143 4.320 0.002 0.000 0.217 611 A C 2.190 179.768 177.584 -0.010 0.000 1.181 611 A CA 1.633 53.664 52.037 -0.010 0.000 0.623 611 A CB -1.562 17.425 19.000 -0.022 0.000 0.818 611 A HN 0.202 nan 8.150 nan 0.000 0.443 612 L N -0.351 120.868 121.223 -0.006 0.000 2.044 612 L HA 0.046 4.387 4.340 0.002 0.000 0.205 612 L C 2.668 179.566 176.870 0.046 0.000 1.075 612 L CA 2.172 57.017 54.840 0.008 0.000 0.747 612 L CB -0.945 41.117 42.059 0.005 0.000 0.903 612 L HN 0.325 nan 8.230 nan 0.000 0.435 613 A N -0.077 122.766 122.820 0.038 0.000 1.892 613 A HA -0.233 4.088 4.320 0.002 0.000 0.218 613 A C 2.480 180.126 177.584 0.103 0.000 1.188 613 A CA 2.347 54.420 52.037 0.060 0.000 0.631 613 A CB -1.384 17.640 19.000 0.040 0.000 0.822 613 A HN 0.633 nan 8.150 nan 0.000 0.447 614 A N -0.672 122.198 122.820 0.083 0.000 1.908 614 A HA -0.170 4.151 4.320 0.002 0.000 0.218 614 A C 1.945 179.603 177.584 0.123 0.000 1.181 614 A CA 1.842 53.939 52.037 0.099 0.000 0.627 614 A CB -0.412 18.624 19.000 0.060 0.000 0.818 614 A HN 0.489 nan 8.150 nan 0.000 0.445 615 E N -0.048 120.212 120.200 0.100 0.000 2.107 615 E HA -0.079 4.272 4.350 0.002 0.000 0.191 615 E C 1.971 178.799 176.600 0.380 0.000 0.982 615 E CA 0.852 57.329 56.400 0.128 0.000 0.809 615 E CB -0.455 29.173 29.700 -0.120 0.000 0.756 615 E HN 0.736 nan 8.360 nan 0.000 0.459 616 I N 0.764 121.562 120.570 0.380 0.000 2.286 616 I HA -0.235 3.936 4.170 0.002 0.000 0.248 616 I C 1.941 178.292 176.117 0.390 0.000 1.115 616 I CA 0.914 62.438 61.300 0.372 0.000 1.392 616 I CB -0.150 37.965 38.000 0.192 0.000 1.065 616 I HN 0.006 nan 8.210 nan 0.000 0.418 617 L N 0.132 121.552 121.223 0.330 0.000 2.612 617 L HA 0.057 4.398 4.340 0.002 0.000 0.230 617 L C 0.186 177.261 176.870 0.342 0.000 1.140 617 L CA 0.188 55.252 54.840 0.374 0.000 0.896 617 L CB -0.419 41.846 42.059 0.343 0.000 1.065 617 L HN 0.075 nan 8.230 nan 0.000 0.447 618 T N 1.487 116.187 114.554 0.244 0.000 2.770 618 T HA 0.396 4.747 4.350 0.002 0.000 0.297 618 T C 0.228 175.009 174.700 0.135 0.000 0.997 618 T CA -0.432 61.751 62.100 0.138 0.000 0.949 618 T CB 0.994 69.935 68.868 0.121 0.000 0.941 618 T HN -0.002 nan 8.240 nan 0.000 0.457 619 L N 4.996 126.243 121.223 0.039 0.000 2.483 619 L HA 0.232 4.573 4.340 0.002 0.000 0.276 619 L C -1.700 175.190 176.870 0.033 0.000 1.213 619 L CA -1.924 52.924 54.840 0.014 0.000 0.843 619 L CB -0.141 41.881 42.059 -0.062 0.000 1.107 619 L HN 0.299 nan 8.230 nan 0.000 0.487 620 P HA -0.031 nan 4.420 nan 0.000 0.264 620 P C -0.329 176.986 177.300 0.026 0.000 1.179 620 P CA -0.132 62.997 63.100 0.049 0.000 0.763 620 P CB 0.389 32.101 31.700 0.021 0.000 0.806 621 S N 1.243 116.963 115.700 0.033 0.000 2.608 621 S HA 0.056 4.527 4.470 0.002 0.000 0.261 621 S C 1.563 176.177 174.600 0.023 0.000 1.314 621 S CA -0.078 58.131 58.200 0.016 0.000 0.992 621 S CB 0.039 63.250 63.200 0.019 0.000 0.935 621 S HN 0.386 nan 8.310 nan 0.000 0.564 622 V N -0.320 119.604 119.914 0.015 0.000 2.568 622 V HA -0.189 3.933 4.120 0.002 0.000 0.253 622 V C 1.729 177.859 176.094 0.060 0.000 1.072 622 V CA 2.066 64.384 62.300 0.030 0.000 1.084 622 V CB -1.729 30.103 31.823 0.016 0.000 0.676 622 V HN 0.835 nan 8.190 nan 0.000 0.469 623 N N 0.559 119.291 118.700 0.054 0.000 2.171 623 N HA -0.092 4.649 4.740 0.002 0.000 0.184 623 N C 1.892 177.445 175.510 0.071 0.000 1.021 623 N CA 1.398 54.489 53.050 0.069 0.000 0.854 623 N CB -0.225 38.295 38.487 0.054 0.000 0.994 623 N HN 0.630 nan 8.380 nan 0.000 0.426 624 E N 0.619 120.851 120.200 0.054 0.000 2.077 624 E HA -0.152 4.199 4.350 0.002 0.000 0.193 624 E C 1.818 178.458 176.600 0.066 0.000 0.989 624 E CA 0.990 57.419 56.400 0.049 0.000 0.800 624 E CB -0.053 29.672 29.700 0.042 0.000 0.746 624 E HN 0.404 nan 8.360 nan 0.000 0.452 625 M N 0.476 120.128 119.600 0.087 0.000 2.117 625 M HA -0.134 4.347 4.480 0.002 0.000 0.262 625 M C 2.533 178.992 176.300 0.265 0.000 1.065 625 M CA 1.317 56.706 55.300 0.148 0.000 1.114 625 M CB -0.260 32.436 32.600 0.160 0.000 1.361 625 M HN 0.132 nan 8.290 nan 0.000 0.408 626 A N 0.207 123.158 122.820 0.218 0.000 1.948 626 A HA -0.235 4.086 4.320 0.002 0.000 0.220 626 A C 1.923 179.649 177.584 0.238 0.000 1.177 626 A CA 2.160 54.345 52.037 0.246 0.000 0.636 626 A CB -0.720 18.358 19.000 0.130 0.000 0.815 626 A HN 0.477 nan 8.150 nan 0.000 0.449 627 E N 0.301 120.591 120.200 0.150 0.000 2.265 627 E HA -0.102 4.249 4.350 0.002 0.000 0.196 627 E C 1.529 178.159 176.600 0.050 0.000 0.996 627 E CA 0.870 57.344 56.400 0.124 0.000 0.832 627 E CB -0.521 29.260 29.700 0.135 0.000 0.756 627 E HN 0.655 nan 8.360 nan 0.000 0.491 628 L N -0.446 120.728 121.223 -0.080 0.000 2.465 628 L HA 0.084 4.425 4.340 0.002 0.000 0.224 628 L C -0.051 176.463 176.870 -0.592 0.000 1.145 628 L CA 0.072 54.664 54.840 -0.413 0.000 0.834 628 L CB -0.112 41.518 42.059 -0.716 0.000 0.944 628 L HN 0.003 nan 8.230 nan 0.000 0.451 629 F N -1.303 118.647 119.950 0.001 0.000 2.532 629 F HA 0.265 4.793 4.527 0.002 0.000 0.321 629 F C 1.003 176.781 175.800 -0.038 0.000 1.089 629 F CA -1.015 56.971 58.000 -0.024 0.000 0.926 629 F CB 1.087 40.057 39.000 -0.049 0.000 1.168 629 F HN -0.234 nan 8.300 nan 0.000 0.459 630 D N 1.238 121.723 120.400 0.143 0.000 2.084 630 D HA -0.040 4.601 4.640 0.002 0.000 0.196 630 D C 0.691 176.999 176.300 0.013 0.000 0.985 630 D CA 1.723 55.759 54.000 0.060 0.000 0.826 630 D CB 0.288 41.114 40.800 0.043 0.000 0.978 630 D HN 0.055 nan 8.370 nan 0.000 0.456 631 I N 1.827 122.403 120.570 0.011 0.000 2.339 631 I HA 0.239 4.410 4.170 0.002 0.000 0.290 631 I C 0.293 176.313 176.117 -0.161 0.000 0.994 631 I CA -0.641 60.604 61.300 -0.092 0.000 1.191 631 I CB 1.206 39.170 38.000 -0.059 0.000 1.343 631 I HN -0.159 nan 8.210 nan 0.000 0.458 632 I N 5.403 125.756 120.570 -0.362 0.000 2.371 632 I HA 0.093 4.264 4.170 0.002 0.000 0.290 632 I C 0.354 176.275 176.117 -0.327 0.000 1.028 632 I CA -0.085 60.972 61.300 -0.404 0.000 1.345 632 I CB 0.696 38.337 38.000 -0.598 0.000 1.407 632 I HN 0.439 nan 8.210 nan 0.000 0.501 633 D N 9.663 129.869 120.400 -0.323 0.000 2.467 633 D HA 0.215 4.856 4.640 0.002 0.000 0.220 633 D C -1.589 174.606 176.300 -0.175 0.000 1.103 633 D CA -2.322 51.554 54.000 -0.206 0.000 0.886 633 D CB 1.453 42.113 40.800 -0.233 0.000 1.025 633 D HN 0.235 nan 8.370 nan 0.000 0.514 634 P HA -0.047 nan 4.420 nan 0.000 0.222 634 P C 1.780 179.050 177.300 -0.050 0.000 1.153 634 P CA 0.451 63.554 63.100 0.006 0.000 0.798 634 P CB 0.753 32.543 31.700 0.151 0.000 0.796 635 I N 0.343 120.875 120.570 -0.064 0.000 2.163 635 I HA -0.182 3.989 4.170 0.002 0.000 0.240 635 I C 2.663 178.607 176.117 -0.289 0.000 1.081 635 I CA 1.378 62.619 61.300 -0.099 0.000 1.353 635 I CB -1.046 36.940 38.000 -0.023 0.000 1.054 635 I HN -0.099 nan 8.210 nan 0.000 0.407 636 A N 1.312 123.881 122.820 -0.418 0.000 1.908 636 A HA -0.209 4.112 4.320 0.002 0.000 0.218 636 A C 2.317 179.610 177.584 -0.484 0.000 1.181 636 A CA 1.697 53.257 52.037 -0.796 0.000 0.627 636 A CB -0.935 17.801 19.000 -0.440 0.000 0.818 636 A HN 0.383 nan 8.150 nan 0.000 0.445 637 I N -0.383 120.001 120.570 -0.309 0.000 2.163 637 I HA -0.307 3.864 4.170 0.002 0.000 0.243 637 I C 2.987 179.023 176.117 -0.135 0.000 1.085 637 I CA 1.179 62.370 61.300 -0.181 0.000 1.347 637 I CB -0.324 37.606 38.000 -0.117 0.000 1.044 637 I HN 0.372 nan 8.210 nan 0.000 0.408 638 A N 0.134 122.875 122.820 -0.132 0.000 1.902 638 A HA -0.186 4.135 4.320 0.002 0.000 0.217 638 A C 2.247 179.767 177.584 -0.107 0.000 1.181 638 A CA 1.468 53.448 52.037 -0.094 0.000 0.623 638 A CB -0.416 18.545 19.000 -0.066 0.000 0.818 638 A HN 0.362 nan 8.150 nan 0.000 0.443 639 E N -0.219 119.888 120.200 -0.155 0.000 2.107 639 E HA -0.085 4.266 4.350 0.002 0.000 0.191 639 E C 2.188 178.744 176.600 -0.073 0.000 0.982 639 E CA 1.175 57.516 56.400 -0.098 0.000 0.809 639 E CB -0.430 29.218 29.700 -0.086 0.000 0.756 639 E HN 0.395 nan 8.360 nan 0.000 0.459 640 V N 1.388 121.232 119.914 -0.117 0.000 2.358 640 V HA -0.225 3.896 4.120 0.002 0.000 0.246 640 V C 2.598 178.654 176.094 -0.064 0.000 1.047 640 V CA 1.726 63.995 62.300 -0.052 0.000 1.035 640 V CB -0.478 31.323 31.823 -0.035 0.000 0.658 640 V HN 0.173 nan 8.190 nan 0.000 0.452 641 R N -0.018 120.431 120.500 -0.085 0.000 2.083 641 R HA -0.248 4.093 4.340 0.002 0.000 0.237 641 R C 2.398 178.582 176.300 -0.192 0.000 1.137 641 R CA 2.242 58.274 56.100 -0.114 0.000 0.951 641 R CB -0.262 29.976 30.300 -0.104 0.000 0.851 641 R HN 0.681 nan 8.270 nan 0.000 0.434 642 E N -0.403 119.679 120.200 -0.196 0.000 2.051 642 E HA -0.194 4.158 4.350 0.002 0.000 0.192 642 E C 1.766 178.224 176.600 -0.235 0.000 0.991 642 E CA 1.229 57.450 56.400 -0.298 0.000 0.799 642 E CB -0.117 29.497 29.700 -0.142 0.000 0.748 642 E HN 0.470 nan 8.360 nan 0.000 0.449 643 A N 0.912 123.668 122.820 -0.107 0.000 1.933 643 A HA -0.154 4.167 4.320 0.002 0.000 0.218 643 A C 2.117 179.662 177.584 -0.065 0.000 1.175 643 A CA 1.201 53.207 52.037 -0.052 0.000 0.628 643 A CB -0.595 18.404 19.000 -0.001 0.000 0.814 643 A HN 0.385 nan 8.150 nan 0.000 0.444 644 L N -0.201 120.974 121.223 -0.080 0.000 2.056 644 L HA -0.091 4.250 4.340 0.002 0.000 0.207 644 L C 2.462 179.296 176.870 -0.061 0.000 1.078 644 L CA 2.719 57.515 54.840 -0.073 0.000 0.749 644 L CB -1.030 40.986 42.059 -0.071 0.000 0.901 644 L HN 0.374 nan 8.230 nan 0.000 0.433 645 T N -0.466 114.008 114.554 -0.132 0.000 2.746 645 T HA -0.181 4.170 4.350 0.002 0.000 0.267 645 T C 2.010 176.713 174.700 0.004 0.000 1.039 645 T CA 1.618 63.650 62.100 -0.113 0.000 1.142 645 T CB -0.204 68.290 68.868 -0.623 0.000 0.866 645 T HN 0.347 nan 8.240 nan 0.000 0.444 646 R N 0.486 120.938 120.500 -0.079 0.000 2.075 646 R HA -0.048 4.293 4.340 0.002 0.000 0.232 646 R C 2.796 179.122 176.300 0.042 0.000 1.126 646 R CA 1.567 57.698 56.100 0.052 0.000 0.963 646 R CB -0.697 29.639 30.300 0.060 0.000 0.858 646 R HN 0.313 nan 8.270 nan 0.000 0.435 647 T N 1.707 116.259 114.554 -0.003 0.000 2.708 647 T HA -0.090 4.262 4.350 0.002 0.000 0.266 647 T C 1.894 176.562 174.700 -0.053 0.000 1.037 647 T CA 1.083 63.167 62.100 -0.027 0.000 1.146 647 T CB -0.135 68.705 68.868 -0.047 0.000 0.865 647 T HN 0.123 nan 8.240 nan 0.000 0.435 648 L N 0.684 121.860 121.223 -0.077 0.000 2.093 648 L HA -0.040 4.301 4.340 0.002 0.000 0.208 648 L C 3.037 179.800 176.870 -0.178 0.000 1.085 648 L CA 1.027 55.748 54.840 -0.199 0.000 0.755 648 L CB -0.667 41.160 42.059 -0.386 0.000 0.904 648 L HN 0.234 nan 8.230 nan 0.000 0.435 649 A N -0.238 122.585 122.820 0.006 0.000 1.908 649 A HA -0.211 4.110 4.320 0.002 0.000 0.218 649 A C 2.373 179.968 177.584 0.018 0.000 1.181 649 A CA 2.456 54.538 52.037 0.075 0.000 0.627 649 A CB -0.887 18.246 19.000 0.221 0.000 0.818 649 A HN 0.393 nan 8.150 nan 0.000 0.445 650 T N -0.204 114.358 114.554 0.013 0.000 2.732 650 T HA -0.084 4.267 4.350 0.002 0.000 0.261 650 T C 1.816 176.501 174.700 -0.024 0.000 1.040 650 T CA 1.350 63.450 62.100 0.002 0.000 1.145 650 T CB -0.235 68.637 68.868 0.006 0.000 0.866 650 T HN 0.444 nan 8.240 nan 0.000 0.427 651 E N 1.175 121.347 120.200 -0.047 0.000 2.153 651 E HA 0.013 4.364 4.350 0.002 0.000 0.194 651 E C 1.652 178.216 176.600 -0.060 0.000 0.988 651 E CA 0.800 57.166 56.400 -0.055 0.000 0.811 651 E CB -0.164 29.493 29.700 -0.072 0.000 0.746 651 E HN 0.479 nan 8.360 nan 0.000 0.466 652 L N -0.305 120.866 121.223 -0.086 0.000 2.910 652 L HA 0.319 4.660 4.340 0.002 0.000 0.252 652 L C 1.875 178.711 176.870 -0.056 0.000 1.195 652 L CA -0.080 54.706 54.840 -0.090 0.000 1.003 652 L CB 0.098 42.056 42.059 -0.168 0.000 1.328 652 L HN -0.065 nan 8.230 nan 0.000 0.540 653 A N 0.638 123.439 122.820 -0.031 0.000 1.892 653 A HA -0.240 4.081 4.320 0.002 0.000 0.218 653 A C 1.868 179.453 177.584 0.001 0.000 1.188 653 A CA 2.176 54.208 52.037 -0.007 0.000 0.631 653 A CB -0.257 18.744 19.000 0.002 0.000 0.822 653 A HN 0.356 nan 8.150 nan 0.000 0.447 654 D N -0.546 119.854 120.400 -0.000 0.000 2.097 654 D HA -0.085 4.556 4.640 0.002 0.000 0.197 654 D C 1.967 178.277 176.300 0.015 0.000 0.984 654 D CA 1.573 55.578 54.000 0.009 0.000 0.826 654 D CB -0.409 40.394 40.800 0.005 0.000 0.973 654 D HN 0.557 nan 8.370 nan 0.000 0.460 655 E N 0.558 120.761 120.200 0.005 0.000 2.077 655 E HA -0.079 4.272 4.350 0.002 0.000 0.193 655 E C 2.338 178.955 176.600 0.029 0.000 0.989 655 E CA 0.371 56.777 56.400 0.009 0.000 0.800 655 E CB -0.304 29.390 29.700 -0.010 0.000 0.746 655 E HN 0.230 nan 8.360 nan 0.000 0.452 656 L N 0.035 121.270 121.223 0.021 0.000 2.042 656 L HA -0.187 4.154 4.340 0.002 0.000 0.210 656 L C 2.317 179.252 176.870 0.108 0.000 1.076 656 L CA 0.682 55.558 54.840 0.059 0.000 0.749 656 L CB -0.388 41.696 42.059 0.043 0.000 0.893 656 L HN 0.191 nan 8.230 nan 0.000 0.432 657 L N -0.156 121.114 121.223 0.078 0.000 2.093 657 L HA -0.101 4.240 4.340 0.002 0.000 0.208 657 L C 2.603 179.565 176.870 0.153 0.000 1.085 657 L CA 1.878 56.784 54.840 0.110 0.000 0.755 657 L CB -0.689 41.404 42.059 0.056 0.000 0.904 657 L HN 0.148 nan 8.230 nan 0.000 0.435 658 A N -0.273 122.606 122.820 0.097 0.000 1.877 658 A HA -0.173 4.148 4.320 0.002 0.000 0.216 658 A C 2.110 179.749 177.584 0.092 0.000 1.186 658 A CA 1.977 54.061 52.037 0.079 0.000 0.620 658 A CB -0.716 18.312 19.000 0.048 0.000 0.822 658 A HN 0.402 nan 8.150 nan 0.000 0.443 659 I N -1.655 118.976 120.570 0.101 0.000 2.353 659 I HA -0.164 4.007 4.170 0.002 0.000 0.248 659 I C 2.326 178.521 176.117 0.130 0.000 1.119 659 I CA 1.100 62.457 61.300 0.096 0.000 1.417 659 I CB -1.655 36.397 38.000 0.086 0.000 1.078 659 I HN 0.550 nan 8.210 nan 0.000 0.421 660 Y N 2.539 122.875 120.300 0.060 0.000 2.081 660 Y HA -0.314 4.237 4.550 0.002 0.000 0.280 660 Y C 2.341 178.289 175.900 0.080 0.000 1.163 660 Y CA 2.357 60.501 58.100 0.073 0.000 1.135 660 Y CB -0.678 37.825 38.460 0.071 0.000 0.970 660 Y HN 0.270 nan 8.280 nan 0.000 0.498 661 N N -0.212 118.546 118.700 0.096 0.000 2.142 661 N HA -0.154 4.587 4.740 0.002 0.000 0.186 661 N C 1.935 177.444 175.510 -0.001 0.000 1.023 661 N CA 0.878 53.930 53.050 0.004 0.000 0.852 661 N CB -0.368 38.165 38.487 0.076 0.000 0.998 661 N HN 0.467 nan 8.380 nan 0.000 0.424 662 A N 0.853 123.687 122.820 0.023 0.000 2.070 662 A HA -0.062 4.259 4.320 0.002 0.000 0.220 662 A C 1.573 179.165 177.584 0.013 0.000 1.159 662 A CA 1.137 53.188 52.037 0.023 0.000 0.656 662 A CB -0.104 18.911 19.000 0.024 0.000 0.800 662 A HN 0.283 nan 8.150 nan 0.000 0.453 663 N N -1.407 117.285 118.700 -0.014 0.000 2.235 663 N HA 0.058 4.799 4.740 0.002 0.000 0.209 663 N C -0.359 175.112 175.510 -0.064 0.000 1.122 663 N CA -0.209 52.818 53.050 -0.038 0.000 0.845 663 N CB 0.115 38.582 38.487 -0.034 0.000 1.004 663 N HN 0.574 nan 8.380 nan 0.000 0.499 664 Y N 2.662 122.859 120.300 -0.172 0.000 2.811 664 Y HA -0.092 4.459 4.550 0.002 0.000 0.334 664 Y C -0.106 175.736 175.900 -0.097 0.000 1.247 664 Y CA 0.622 58.625 58.100 -0.163 0.000 1.526 664 Y CB 0.344 38.715 38.460 -0.149 0.000 1.284 664 Y HN 0.012 nan 8.280 nan 0.000 0.586 665 Q N 4.133 123.400 119.800 -0.889 0.000 2.290 665 Q HA 0.217 4.559 4.340 0.002 0.000 0.269 665 Q C 0.505 175.973 176.000 -0.887 0.000 1.016 665 Q CA -0.137 55.256 55.803 -0.684 0.000 0.754 665 Q CB 1.864 30.394 28.738 -0.346 0.000 1.247 665 Q HN 0.892 nan 8.270 nan 0.000 0.451 666 S N 1.265 116.560 115.700 -0.676 0.000 2.387 666 S HA -0.002 4.469 4.470 0.002 0.000 0.226 666 S C 0.588 175.086 174.600 -0.169 0.000 1.026 666 S CA 0.503 58.497 58.200 -0.344 0.000 0.972 666 S CB 0.202 63.374 63.200 -0.047 0.000 0.814 666 S HN 0.480 nan 8.310 nan 0.000 0.477 667 E N 1.145 121.252 120.200 -0.154 0.000 2.313 667 E HA 0.227 4.578 4.350 0.002 0.000 0.276 667 E C -1.437 175.106 176.600 -0.094 0.000 1.031 667 E CA -0.352 55.989 56.400 -0.097 0.000 0.857 667 E CB 0.859 30.496 29.700 -0.105 0.000 1.040 667 E HN 0.540 nan 8.360 nan 0.000 0.408 668 Y N 3.427 123.632 120.300 -0.158 0.000 2.341 668 Y HA 0.252 4.803 4.550 0.002 0.000 0.340 668 Y C -0.340 175.441 175.900 -0.199 0.000 0.997 668 Y CA -0.303 57.689 58.100 -0.179 0.000 1.149 668 Y CB 0.594 38.958 38.460 -0.160 0.000 1.171 668 Y HN 0.300 nan 8.280 nan 0.000 0.494 669 R N 4.413 124.375 120.500 -0.898 0.000 2.621 669 R HA 0.489 4.830 4.340 0.002 0.000 0.292 669 R C -1.345 174.332 176.300 -1.038 0.000 0.969 669 R CA -1.188 54.454 56.100 -0.763 0.000 0.887 669 R CB 2.065 32.099 30.300 -0.444 0.000 1.180 669 R HN 0.470 nan 8.270 nan 0.000 0.450 670 V N 3.209 122.582 119.914 -0.902 0.000 2.071 670 V HA 0.139 4.260 4.120 0.002 0.000 0.254 670 V C -0.148 175.552 176.094 -0.656 0.000 1.456 670 V CA 0.303 62.064 62.300 -0.899 0.000 1.383 670 V CB -0.710 30.383 31.823 -1.217 0.000 1.433 670 V HN 0.718 nan 8.190 nan 0.000 0.499 671 E N 0.891 120.750 120.200 -0.569 0.000 2.314 671 E HA 0.411 4.762 4.350 0.002 0.000 0.272 671 E C 0.107 176.463 176.600 -0.407 0.000 0.884 671 E CA -0.838 55.297 56.400 -0.442 0.000 0.753 671 E CB 1.712 31.241 29.700 -0.285 0.000 1.213 671 E HN 0.377 nan 8.360 nan 0.000 0.432 672 H N 1.668 120.655 119.070 -0.138 0.000 2.387 672 H HA -0.114 4.443 4.556 0.002 0.000 0.299 672 H C 1.077 176.339 175.328 -0.110 0.000 1.090 672 H CA 1.504 57.482 56.048 -0.116 0.000 1.332 672 H CB 0.400 30.108 29.762 -0.089 0.000 1.386 672 H HN 0.606 nan 8.280 nan 0.000 0.516 673 E N 0.518 120.711 120.200 -0.013 0.000 2.077 673 E HA -0.151 4.200 4.350 0.002 0.000 0.193 673 E C 1.713 178.260 176.600 -0.089 0.000 0.989 673 E CA 1.269 57.643 56.400 -0.044 0.000 0.800 673 E CB 0.011 29.683 29.700 -0.047 0.000 0.746 673 E HN 0.478 nan 8.360 nan 0.000 0.452 674 D N 0.635 120.945 120.400 -0.149 0.000 2.117 674 D HA -0.108 4.533 4.640 0.002 0.000 0.198 674 D C 1.888 178.080 176.300 -0.180 0.000 0.982 674 D CA 0.778 54.664 54.000 -0.191 0.000 0.828 674 D CB -0.118 40.509 40.800 -0.288 0.000 0.967 674 D HN 0.130 nan 8.370 nan 0.000 0.464 675 I N 0.874 121.327 120.570 -0.195 0.000 2.226 675 I HA -0.273 3.898 4.170 0.002 0.000 0.245 675 I C 2.377 178.452 176.117 -0.069 0.000 1.100 675 I CA 1.031 62.244 61.300 -0.145 0.000 1.374 675 I CB -0.226 37.680 38.000 -0.157 0.000 1.057 675 I HN -0.032 nan 8.210 nan 0.000 0.413 676 A N 0.892 123.682 122.820 -0.050 0.000 1.877 676 A HA -0.241 4.080 4.320 0.002 0.000 0.216 676 A C 2.316 179.886 177.584 -0.024 0.000 1.186 676 A CA 1.782 53.805 52.037 -0.024 0.000 0.620 676 A CB -0.500 18.490 19.000 -0.017 0.000 0.822 676 A HN 0.318 nan 8.150 nan 0.000 0.443 677 K N -0.903 119.472 120.400 -0.042 0.000 2.063 677 K HA -0.174 4.148 4.320 0.002 0.000 0.208 677 K C 2.364 178.945 176.600 -0.032 0.000 1.048 677 K CA 1.653 57.917 56.287 -0.039 0.000 0.928 677 K CB -0.170 32.291 32.500 -0.063 0.000 0.713 677 K HN 0.482 nan 8.250 nan 0.000 0.442 678 R N 0.635 121.109 120.500 -0.043 0.000 2.092 678 R HA -0.089 4.252 4.340 0.002 0.000 0.231 678 R C 1.911 178.222 176.300 0.018 0.000 1.119 678 R CA 1.731 57.819 56.100 -0.020 0.000 0.970 678 R CB -0.153 30.134 30.300 -0.021 0.000 0.864 678 R HN 0.084 nan 8.270 nan 0.000 0.440 679 T N 1.553 116.115 114.554 0.014 0.000 2.746 679 T HA -0.141 4.210 4.350 0.002 0.000 0.267 679 T C 1.595 176.330 174.700 0.057 0.000 1.039 679 T CA 1.220 63.340 62.100 0.033 0.000 1.142 679 T CB -0.204 68.675 68.868 0.018 0.000 0.866 679 T HN 0.153 nan 8.240 nan 0.000 0.444 680 L N 1.406 122.661 121.223 0.052 0.000 2.027 680 L HA 0.066 4.407 4.340 0.002 0.000 0.206 680 L C 2.514 179.453 176.870 0.114 0.000 1.074 680 L CA 1.754 56.642 54.840 0.080 0.000 0.745 680 L CB -0.575 41.519 42.059 0.058 0.000 0.898 680 L HN 0.053 nan 8.230 nan 0.000 0.433 681 R N -0.390 120.163 120.500 0.088 0.000 2.091 681 R HA -0.192 4.149 4.340 0.002 0.000 0.238 681 R C 2.033 178.479 176.300 0.242 0.000 1.136 681 R CA 2.250 58.424 56.100 0.123 0.000 0.959 681 R CB -0.393 29.897 30.300 -0.017 0.000 0.856 681 R HN 0.584 nan 8.270 nan 0.000 0.437 682 N N -0.375 118.426 118.700 0.168 0.000 2.331 682 N HA -0.075 4.666 4.740 0.002 0.000 0.180 682 N C 1.600 177.194 175.510 0.141 0.000 1.019 682 N CA 0.657 53.809 53.050 0.169 0.000 0.881 682 N CB 0.005 38.560 38.487 0.113 0.000 0.972 682 N HN 0.286 nan 8.380 nan 0.000 0.435 683 A N 0.531 123.435 122.820 0.140 0.000 1.898 683 A HA -0.134 4.188 4.320 0.002 0.000 0.216 683 A C 2.362 180.090 177.584 0.241 0.000 1.181 683 A CA 0.932 53.054 52.037 0.142 0.000 0.620 683 A CB -0.905 18.197 19.000 0.169 0.000 0.819 683 A HN 0.432 nan 8.150 nan 0.000 0.442 684 C N -1.279 118.192 119.300 0.285 0.000 2.429 684 C HA -0.082 4.379 4.460 0.002 0.000 0.277 684 C C 2.528 177.662 174.990 0.239 0.000 1.262 684 C CA 1.124 60.336 59.018 0.323 0.000 1.733 684 C CB -1.460 26.460 27.740 0.301 0.000 2.010 684 C HN 0.676 nan 8.230 nan 0.000 0.483 685 L N 1.401 122.741 121.223 0.194 0.000 2.042 685 L HA -0.136 4.205 4.340 0.002 0.000 0.210 685 L C 2.643 179.534 176.870 0.034 0.000 1.076 685 L CA 1.881 56.737 54.840 0.027 0.000 0.749 685 L CB -0.718 41.404 42.059 0.105 0.000 0.893 685 L HN 0.180 nan 8.230 nan 0.000 0.432 686 R N -0.938 119.590 120.500 0.045 0.000 2.083 686 R HA -0.192 4.149 4.340 0.002 0.000 0.237 686 R C 2.058 178.388 176.300 0.049 0.000 1.137 686 R CA 2.083 58.176 56.100 -0.011 0.000 0.951 686 R CB -0.873 29.333 30.300 -0.157 0.000 0.851 686 R HN 0.395 nan 8.270 nan 0.000 0.434 687 F N 0.146 120.165 119.950 0.116 0.000 2.113 687 F HA -0.067 4.461 4.527 0.002 0.000 0.297 687 F C 2.083 177.947 175.800 0.107 0.000 1.103 687 F CA 1.171 59.236 58.000 0.110 0.000 1.248 687 F CB -0.556 38.465 39.000 0.035 0.000 0.999 687 F HN -0.037 nan 8.300 nan 0.000 0.475 688 L N -0.381 120.966 121.223 0.207 0.000 2.127 688 L HA -0.243 4.098 4.340 0.002 0.000 0.211 688 L C 2.607 179.477 176.870 0.000 0.000 1.089 688 L CA 1.059 55.930 54.840 0.053 0.000 0.757 688 L CB -1.016 40.989 42.059 -0.090 0.000 0.899 688 L HN 0.160 nan 8.230 nan 0.000 0.434 689 A N -0.696 122.112 122.820 -0.021 0.000 2.019 689 A HA -0.138 4.183 4.320 0.002 0.000 0.219 689 A C 1.679 179.105 177.584 -0.263 0.000 1.164 689 A CA 1.277 53.213 52.037 -0.169 0.000 0.644 689 A CB -0.528 18.323 19.000 -0.248 0.000 0.805 689 A HN 0.391 nan 8.150 nan 0.000 0.449 690 F N -0.576 119.363 119.950 -0.018 0.000 2.641 690 F HA 0.328 4.856 4.527 0.002 0.000 0.302 690 F C 1.570 177.378 175.800 0.013 0.000 1.098 690 F CA -0.094 57.904 58.000 -0.004 0.000 1.318 690 F CB 0.142 39.144 39.000 0.003 0.000 1.035 690 F HN 0.239 nan 8.300 nan 0.000 0.551 691 G N -0.953 107.918 108.800 0.119 0.000 2.695 691 G HA2 0.101 4.062 3.960 0.002 0.000 0.213 691 G HA3 0.101 4.062 3.960 0.002 0.000 0.213 691 G C -0.473 174.448 174.900 0.035 0.000 1.406 691 G CA -0.409 44.738 45.100 0.078 0.000 1.049 691 G HN -0.036 nan 8.290 nan 0.000 0.573 692 E N -0.123 120.092 120.200 0.026 0.000 2.558 692 E HA -0.014 4.337 4.350 0.002 0.000 0.255 692 E C 1.438 178.045 176.600 0.011 0.000 0.968 692 E CA 0.183 56.597 56.400 0.023 0.000 0.939 692 E CB 0.596 30.314 29.700 0.030 0.000 0.921 692 E HN 0.314 nan 8.360 nan 0.000 0.477 693 T N 4.512 119.076 114.554 0.017 0.000 2.708 693 T HA -0.193 4.158 4.350 0.002 0.000 0.266 693 T C 1.517 176.224 174.700 0.012 0.000 1.037 693 T CA 1.419 63.518 62.100 -0.001 0.000 1.146 693 T CB -0.299 68.573 68.868 0.006 0.000 0.865 693 T HN 0.568 nan 8.240 nan 0.000 0.435 694 H N 0.557 119.609 119.070 -0.029 0.000 2.326 694 H HA -0.024 4.533 4.556 0.002 0.000 0.301 694 H C 2.396 177.709 175.328 -0.026 0.000 1.081 694 H CA 1.408 57.441 56.048 -0.025 0.000 1.334 694 H CB -0.313 29.439 29.762 -0.016 0.000 1.385 694 H HN 0.230 nan 8.280 nan 0.000 0.504 695 L N 1.321 122.502 121.223 -0.070 0.000 2.046 695 L HA -0.085 4.256 4.340 0.002 0.000 0.208 695 L C 2.739 179.521 176.870 -0.147 0.000 1.077 695 L CA 2.040 56.810 54.840 -0.117 0.000 0.747 695 L CB -1.112 40.931 42.059 -0.027 0.000 0.896 695 L HN 0.317 nan 8.230 nan 0.000 0.432 696 A N -0.673 122.078 122.820 -0.114 0.000 1.865 696 A HA -0.323 3.998 4.320 0.002 0.000 0.217 696 A C 2.137 179.631 177.584 -0.150 0.000 1.191 696 A CA 2.157 54.116 52.037 -0.129 0.000 0.623 696 A CB -1.200 17.727 19.000 -0.122 0.000 0.826 696 A HN 0.569 nan 8.150 nan 0.000 0.444 697 D N -0.988 119.318 120.400 -0.156 0.000 2.144 697 D HA -0.101 4.540 4.640 0.002 0.000 0.199 697 D C 1.808 178.020 176.300 -0.148 0.000 0.984 697 D CA 1.334 55.247 54.000 -0.145 0.000 0.834 697 D CB -0.021 40.707 40.800 -0.120 0.000 0.955 697 D HN 0.152 nan 8.370 nan 0.000 0.465 698 V N 0.175 119.957 119.914 -0.221 0.000 2.323 698 V HA -0.177 3.944 4.120 0.002 0.000 0.244 698 V C 2.550 178.593 176.094 -0.086 0.000 1.041 698 V CA 1.111 63.306 62.300 -0.175 0.000 1.025 698 V CB -0.413 31.250 31.823 -0.268 0.000 0.656 698 V HN 0.284 nan 8.190 nan 0.000 0.451 699 L N -0.541 120.618 121.223 -0.107 0.000 2.017 699 L HA -0.162 4.179 4.340 0.002 0.000 0.208 699 L C 2.477 179.322 176.870 -0.041 0.000 1.073 699 L CA 1.260 56.048 54.840 -0.086 0.000 0.745 699 L CB -0.672 41.271 42.059 -0.193 0.000 0.894 699 L HN 0.185 nan 8.230 nan 0.000 0.432 700 V N -0.166 119.708 119.914 -0.067 0.000 2.270 700 V HA -0.268 3.853 4.120 0.002 0.000 0.245 700 V C 2.704 178.806 176.094 0.012 0.000 1.043 700 V CA 2.024 64.303 62.300 -0.035 0.000 1.014 700 V CB -0.537 31.233 31.823 -0.089 0.000 0.645 700 V HN 0.638 nan 8.190 nan 0.000 0.447 701 S N 0.236 115.933 115.700 -0.005 0.000 2.368 701 S HA -0.306 4.165 4.470 0.002 0.000 0.225 701 S C 2.016 176.705 174.600 0.148 0.000 1.030 701 S CA 1.897 60.117 58.200 0.033 0.000 0.999 701 S CB -0.474 62.770 63.200 0.074 0.000 0.844 701 S HN 0.619 nan 8.310 nan 0.000 0.459 702 K N 1.202 121.686 120.400 0.140 0.000 2.026 702 K HA -0.199 4.122 4.320 0.002 0.000 0.208 702 K C 2.621 179.323 176.600 0.169 0.000 1.048 702 K CA 1.612 58.000 56.287 0.167 0.000 0.929 702 K CB -0.341 32.223 32.500 0.107 0.000 0.713 702 K HN 0.596 nan 8.250 nan 0.000 0.439 703 Q N -0.374 119.520 119.800 0.157 0.000 2.084 703 Q HA -0.206 4.135 4.340 0.002 0.000 0.202 703 Q C 1.974 178.058 176.000 0.140 0.000 0.978 703 Q CA 1.690 57.596 55.803 0.171 0.000 0.844 703 Q CB -0.231 28.635 28.738 0.213 0.000 0.898 703 Q HN 0.390 nan 8.270 nan 0.000 0.426 704 F N 0.506 120.438 119.950 -0.030 0.000 2.095 704 F HA -0.237 4.292 4.527 0.002 0.000 0.298 704 F C 1.724 177.476 175.800 -0.080 0.000 1.104 704 F CA 2.341 60.284 58.000 -0.096 0.000 1.232 704 F CB -0.193 38.665 39.000 -0.236 0.000 0.987 704 F HN 0.237 nan 8.300 nan 0.000 0.475 705 H N -1.123 118.051 119.070 0.174 0.000 2.436 705 H HA 0.006 4.563 4.556 0.002 0.000 0.294 705 H C 1.718 177.045 175.328 -0.003 0.000 1.048 705 H CA 1.320 57.408 56.048 0.067 0.000 1.353 705 H CB 0.024 29.869 29.762 0.139 0.000 1.414 705 H HN 0.377 nan 8.280 nan 0.000 0.536 706 E N 0.626 120.905 120.200 0.132 0.000 2.447 706 E HA 0.182 4.533 4.350 0.002 0.000 0.195 706 E C 0.562 177.191 176.600 0.048 0.000 1.028 706 E CA -0.091 56.362 56.400 0.089 0.000 0.876 706 E CB 0.528 30.293 29.700 0.108 0.000 0.885 706 E HN 0.316 nan 8.360 nan 0.000 0.500 707 A N 2.913 125.736 122.820 0.005 0.000 2.567 707 A HA -0.057 4.264 4.320 0.002 0.000 0.240 707 A C 0.703 178.251 177.584 -0.059 0.000 1.053 707 A CA 0.108 52.127 52.037 -0.031 0.000 0.755 707 A CB -0.025 18.925 19.000 -0.085 0.000 0.978 707 A HN 0.294 nan 8.150 nan 0.000 0.507 708 N N 1.617 120.281 118.700 -0.059 0.000 2.251 708 N HA 0.037 4.778 4.740 0.002 0.000 0.217 708 N C -0.456 174.941 175.510 -0.189 0.000 1.124 708 N CA 0.038 53.037 53.050 -0.084 0.000 0.843 708 N CB -0.085 38.380 38.487 -0.036 0.000 1.024 708 N HN 0.734 nan 8.380 nan 0.000 0.501 709 N N -1.293 117.253 118.700 -0.256 0.000 2.859 709 N HA 0.067 4.808 4.740 0.002 0.000 0.250 709 N C -0.134 175.199 175.510 -0.296 0.000 1.341 709 N CA -0.569 52.205 53.050 -0.461 0.000 0.881 709 N CB 0.961 38.824 38.487 -1.041 0.000 1.516 709 N HN -0.152 nan 8.380 nan 0.000 0.503 710 M N 1.130 120.565 119.600 -0.275 0.000 2.296 710 M HA 0.025 4.507 4.480 0.002 0.000 0.265 710 M C 1.314 177.562 176.300 -0.087 0.000 1.064 710 M CA 1.813 57.019 55.300 -0.156 0.000 1.109 710 M CB -0.782 31.712 32.600 -0.176 0.000 1.396 710 M HN 0.720 nan 8.290 nan 0.000 0.430 711 T N 0.651 115.143 114.554 -0.103 0.000 2.708 711 T HA -0.138 4.213 4.350 0.002 0.000 0.266 711 T C 1.382 176.091 174.700 0.016 0.000 1.037 711 T CA 1.814 63.910 62.100 -0.007 0.000 1.146 711 T CB -0.413 68.487 68.868 0.053 0.000 0.865 711 T HN 0.407 nan 8.240 nan 0.000 0.435 712 D N 1.024 121.421 120.400 -0.006 0.000 2.149 712 D HA 0.085 4.726 4.640 0.002 0.000 0.201 712 D C 2.365 178.695 176.300 0.050 0.000 0.972 712 D CA 1.035 55.056 54.000 0.035 0.000 0.835 712 D CB -0.437 40.379 40.800 0.027 0.000 0.966 712 D HN 0.382 nan 8.370 nan 0.000 0.476 713 A N 0.844 123.662 122.820 -0.003 0.000 1.877 713 A HA -0.135 4.186 4.320 0.002 0.000 0.216 713 A C 2.171 179.878 177.584 0.204 0.000 1.186 713 A CA 0.983 53.020 52.037 -0.000 0.000 0.620 713 A CB -0.741 18.160 19.000 -0.164 0.000 0.822 713 A HN 0.227 nan 8.150 nan 0.000 0.443 714 L N -0.443 120.871 121.223 0.151 0.000 2.093 714 L HA 0.010 4.351 4.340 0.002 0.000 0.208 714 L C 2.685 179.618 176.870 0.104 0.000 1.085 714 L CA 1.861 56.793 54.840 0.154 0.000 0.755 714 L CB -0.610 41.506 42.059 0.095 0.000 0.904 714 L HN 0.350 nan 8.230 nan 0.000 0.435 715 A N -0.508 122.366 122.820 0.090 0.000 1.902 715 A HA -0.142 4.179 4.320 0.002 0.000 0.217 715 A C 2.452 180.082 177.584 0.077 0.000 1.181 715 A CA 1.812 53.893 52.037 0.074 0.000 0.623 715 A CB -1.113 17.937 19.000 0.084 0.000 0.818 715 A HN 0.536 nan 8.150 nan 0.000 0.443 716 A N -0.588 122.306 122.820 0.124 0.000 1.877 716 A HA -0.036 4.285 4.320 0.002 0.000 0.216 716 A C 2.142 179.763 177.584 0.062 0.000 1.186 716 A CA 1.752 53.859 52.037 0.117 0.000 0.620 716 A CB -0.697 18.427 19.000 0.206 0.000 0.822 716 A HN 0.627 nan 8.150 nan 0.000 0.443 717 L N -0.146 121.156 121.223 0.132 0.000 2.046 717 L HA -0.120 4.221 4.340 0.002 0.000 0.208 717 L C 2.661 179.476 176.870 -0.092 0.000 1.077 717 L CA 2.515 57.335 54.840 -0.032 0.000 0.747 717 L CB -0.777 41.312 42.059 0.051 0.000 0.896 717 L HN 0.372 nan 8.230 nan 0.000 0.432 718 S N -1.014 114.658 115.700 -0.047 0.000 2.370 718 S HA -0.203 4.268 4.470 0.002 0.000 0.226 718 S C 2.141 176.697 174.600 -0.073 0.000 1.033 718 S CA 1.302 59.462 58.200 -0.067 0.000 1.011 718 S CB -0.436 62.745 63.200 -0.031 0.000 0.852 718 S HN 0.636 nan 8.310 nan 0.000 0.457 719 A N 1.191 123.973 122.820 -0.063 0.000 1.933 719 A HA 0.199 4.520 4.320 0.002 0.000 0.218 719 A C 2.443 179.912 177.584 -0.192 0.000 1.175 719 A CA 1.831 53.806 52.037 -0.103 0.000 0.628 719 A CB -1.310 17.642 19.000 -0.080 0.000 0.814 719 A HN 0.738 nan 8.150 nan 0.000 0.444 720 A N -0.521 122.196 122.820 -0.171 0.000 1.902 720 A HA -0.016 4.305 4.320 0.002 0.000 0.217 720 A C 2.236 179.700 177.584 -0.201 0.000 1.181 720 A CA 1.862 53.779 52.037 -0.199 0.000 0.623 720 A CB -0.914 17.965 19.000 -0.202 0.000 0.818 720 A HN 0.388 nan 8.150 nan 0.000 0.443 721 V N -0.243 119.562 119.914 -0.182 0.000 2.307 721 V HA -0.213 3.908 4.120 0.002 0.000 0.245 721 V C 3.056 179.069 176.094 -0.135 0.000 1.045 721 V CA 1.912 64.112 62.300 -0.167 0.000 1.024 721 V CB -1.240 30.474 31.823 -0.182 0.000 0.651 721 V HN 0.611 nan 8.190 nan 0.000 0.449 722 A N -0.109 122.643 122.820 -0.113 0.000 1.902 722 A HA -0.020 4.301 4.320 0.002 0.000 0.217 722 A C 2.162 179.693 177.584 -0.089 0.000 1.181 722 A CA 1.958 53.990 52.037 -0.010 0.000 0.623 722 A CB -0.549 18.521 19.000 0.117 0.000 0.818 722 A HN 0.608 nan 8.150 nan 0.000 0.443 723 A N -1.711 120.826 122.820 -0.472 0.000 2.308 723 A HA 0.343 4.664 4.320 0.002 0.000 0.217 723 A C 0.717 178.096 177.584 -0.341 0.000 1.216 723 A CA 0.545 52.112 52.037 -0.784 0.000 0.864 723 A CB -0.403 17.835 19.000 -1.270 0.000 0.902 723 A HN 0.550 nan 8.150 nan 0.000 0.499 724 Q N -0.463 119.207 119.800 -0.217 0.000 2.451 724 Q HA -0.178 4.163 4.340 0.002 0.000 0.305 724 Q C -0.666 175.247 176.000 -0.145 0.000 1.345 724 Q CA 0.357 56.073 55.803 -0.145 0.000 0.854 724 Q CB -1.763 26.921 28.738 -0.090 0.000 1.162 724 Q HN 0.681 nan 8.270 nan 0.000 0.440 725 L N -0.420 120.698 121.223 -0.175 0.000 2.464 725 L HA 0.081 4.422 4.340 0.002 0.000 0.264 725 L C -0.882 175.923 176.870 -0.108 0.000 1.199 725 L CA -1.667 53.083 54.840 -0.149 0.000 0.818 725 L CB 0.082 42.037 42.059 -0.172 0.000 1.102 725 L HN -0.016 nan 8.230 nan 0.000 0.473 726 P HA -0.194 nan 4.420 nan 0.000 0.216 726 P C 1.503 178.768 177.300 -0.058 0.000 1.154 726 P CA 1.399 64.466 63.100 -0.053 0.000 0.865 726 P CB -0.068 31.615 31.700 -0.029 0.000 0.789 727 C N -1.171 118.086 119.300 -0.072 0.000 2.491 727 C HA 0.130 4.591 4.460 0.002 0.000 0.277 727 C C 2.512 177.433 174.990 -0.115 0.000 1.455 727 C CA -0.417 58.556 59.018 -0.075 0.000 1.758 727 C CB -1.977 25.716 27.740 -0.078 0.000 1.745 727 C HN 0.148 nan 8.230 nan 0.000 0.558 728 R N 1.682 122.106 120.500 -0.127 0.000 2.097 728 R HA -0.187 4.154 4.340 0.002 0.000 0.236 728 R C 1.735 177.957 176.300 -0.129 0.000 1.135 728 R CA 2.640 58.648 56.100 -0.154 0.000 0.934 728 R CB -0.569 29.643 30.300 -0.146 0.000 0.846 728 R HN 0.476 nan 8.270 nan 0.000 0.431 729 D N 0.095 120.445 120.400 -0.083 0.000 2.144 729 D HA -0.125 4.516 4.640 0.002 0.000 0.199 729 D C 1.755 178.046 176.300 -0.015 0.000 0.984 729 D CA 1.493 55.467 54.000 -0.043 0.000 0.834 729 D CB -0.326 40.459 40.800 -0.025 0.000 0.955 729 D HN 0.436 nan 8.370 nan 0.000 0.465 730 A N 0.837 123.642 122.820 -0.025 0.000 1.877 730 A HA -0.122 4.199 4.320 0.002 0.000 0.216 730 A C 2.397 179.971 177.584 -0.017 0.000 1.186 730 A CA 0.967 53.007 52.037 0.005 0.000 0.620 730 A CB -0.803 18.209 19.000 0.020 0.000 0.822 730 A HN 0.208 nan 8.150 nan 0.000 0.443 731 L N -1.145 119.984 121.223 -0.157 0.000 2.083 731 L HA -0.201 4.140 4.340 0.002 0.000 0.209 731 L C 2.813 179.568 176.870 -0.193 0.000 1.083 731 L CA 1.080 55.666 54.840 -0.423 0.000 0.752 731 L CB -0.644 40.897 42.059 -0.862 0.000 0.899 731 L HN 0.338 nan 8.230 nan 0.000 0.433 732 M N -0.487 119.084 119.600 -0.049 0.000 2.132 732 M HA -0.201 4.280 4.480 0.002 0.000 0.263 732 M C 2.303 178.868 176.300 0.442 0.000 1.065 732 M CA 1.625 57.056 55.300 0.219 0.000 1.122 732 M CB -0.892 31.737 32.600 0.047 0.000 1.365 732 M HN 0.223 nan 8.290 nan 0.000 0.411 733 Q N 0.881 120.828 119.800 0.245 0.000 2.079 733 Q HA -0.133 4.208 4.340 0.002 0.000 0.200 733 Q C 1.703 177.816 176.000 0.188 0.000 0.974 733 Q CA 1.782 57.713 55.803 0.213 0.000 0.840 733 Q CB -0.126 28.690 28.738 0.130 0.000 0.898 733 Q HN 0.539 nan 8.270 nan 0.000 0.430 734 E N -1.162 119.157 120.200 0.198 0.000 2.085 734 E HA -0.234 4.117 4.350 0.002 0.000 0.194 734 E C 1.742 178.517 176.600 0.291 0.000 0.994 734 E CA 1.350 57.891 56.400 0.236 0.000 0.801 734 E CB -0.314 29.585 29.700 0.331 0.000 0.743 734 E HN 0.485 nan 8.360 nan 0.000 0.453 735 Y N 1.645 122.111 120.300 0.277 0.000 2.145 735 Y HA -0.272 4.279 4.550 0.002 0.000 0.286 735 Y C 2.260 178.190 175.900 0.051 0.000 1.145 735 Y CA 1.785 60.081 58.100 0.325 0.000 1.148 735 Y CB 0.011 38.739 38.460 0.448 0.000 0.981 735 Y HN 0.010 nan 8.280 nan 0.000 0.507 736 D N 0.263 120.705 120.400 0.069 0.000 2.106 736 D HA -0.225 4.416 4.640 0.002 0.000 0.191 736 D C 1.631 177.926 176.300 -0.009 0.000 0.997 736 D CA 2.020 55.868 54.000 -0.253 0.000 0.834 736 D CB -0.400 40.209 40.800 -0.320 0.000 0.956 736 D HN 0.388 nan 8.370 nan 0.000 0.448 737 D N -0.098 120.317 120.400 0.025 0.000 2.149 737 D HA -0.163 4.478 4.640 0.002 0.000 0.198 737 D C 1.971 178.287 176.300 0.026 0.000 0.990 737 D CA 0.905 54.931 54.000 0.043 0.000 0.839 737 D CB -0.224 40.582 40.800 0.011 0.000 0.948 737 D HN 0.367 nan 8.370 nan 0.000 0.460 738 K N -0.959 119.353 120.400 -0.146 0.000 2.062 738 K HA -0.091 4.230 4.320 0.002 0.000 0.205 738 K C 1.300 177.515 176.600 -0.642 0.000 1.051 738 K CA 0.835 56.824 56.287 -0.497 0.000 0.941 738 K CB 0.035 32.076 32.500 -0.765 0.000 0.719 738 K HN 0.172 nan 8.250 nan 0.000 0.440 739 W N -0.073 121.091 121.300 -0.227 0.000 2.870 739 W HA 0.129 4.790 4.660 0.002 0.000 0.358 739 W C 1.343 177.713 176.519 -0.247 0.000 1.043 739 W CA -0.132 57.030 57.345 -0.305 0.000 1.692 739 W CB 0.281 29.448 29.460 -0.488 0.000 1.100 739 W HN 0.316 nan 8.180 nan 0.000 0.557 740 H N -0.740 118.331 119.070 0.001 0.000 2.460 740 H HA -0.160 4.397 4.556 0.002 0.000 0.297 740 H C 1.653 177.016 175.328 0.059 0.000 1.103 740 H CA 1.641 57.693 56.048 0.006 0.000 1.292 740 H CB -0.328 29.422 29.762 -0.020 0.000 1.376 740 H HN 0.072 nan 8.280 nan 0.000 0.531 741 Q N 0.211 119.742 119.800 -0.450 0.000 2.472 741 Q HA 0.022 4.363 4.340 0.002 0.000 0.208 741 Q C 0.090 176.068 176.000 -0.036 0.000 0.958 741 Q CA 0.233 55.910 55.803 -0.211 0.000 0.932 741 Q CB 0.113 28.673 28.738 -0.296 0.000 1.007 741 Q HN 0.493 nan 8.270 nan 0.000 0.508 742 N N 0.416 119.128 118.700 0.020 0.000 2.558 742 N HA 0.133 4.874 4.740 0.002 0.000 0.242 742 N C 0.700 176.237 175.510 0.045 0.000 0.979 742 N CA -0.001 53.078 53.050 0.050 0.000 0.931 742 N CB 1.223 39.774 38.487 0.106 0.000 1.122 742 N HN 0.064 nan 8.380 nan 0.000 0.508 743 G N 3.120 111.947 108.800 0.044 0.000 2.440 743 G HA2 -0.188 3.773 3.960 0.002 0.000 0.218 743 G HA3 -0.188 3.773 3.960 0.002 0.000 0.218 743 G C 1.465 176.396 174.900 0.051 0.000 1.154 743 G CA 0.569 45.713 45.100 0.072 0.000 0.767 743 G HN 0.581 nan 8.290 nan 0.000 0.552 744 L N 0.190 121.402 121.223 -0.017 0.000 2.083 744 L HA -0.076 4.265 4.340 0.002 0.000 0.209 744 L C 2.955 179.790 176.870 -0.058 0.000 1.083 744 L CA 0.442 55.252 54.840 -0.050 0.000 0.752 744 L CB -0.414 41.587 42.059 -0.098 0.000 0.899 744 L HN 0.105 nan 8.230 nan 0.000 0.433 745 V N -0.830 119.019 119.914 -0.109 0.000 2.453 745 V HA -0.232 3.889 4.120 0.002 0.000 0.247 745 V C 2.503 178.630 176.094 0.054 0.000 1.048 745 V CA 1.233 63.422 62.300 -0.185 0.000 1.049 745 V CB -0.347 31.136 31.823 -0.567 0.000 0.672 745 V HN 0.363 nan 8.190 nan 0.000 0.457 746 M N -0.406 119.244 119.600 0.083 0.000 2.296 746 M HA -0.111 4.370 4.480 0.002 0.000 0.265 746 M C 1.873 178.260 176.300 0.146 0.000 1.064 746 M CA 1.210 56.558 55.300 0.079 0.000 1.109 746 M CB -1.285 31.299 32.600 -0.027 0.000 1.396 746 M HN 0.339 nan 8.290 nan 0.000 0.430 747 D N 0.905 121.449 120.400 0.239 0.000 2.158 747 D HA -0.167 4.474 4.640 0.002 0.000 0.197 747 D C 1.935 178.360 176.300 0.208 0.000 0.995 747 D CA 1.224 55.405 54.000 0.302 0.000 0.846 747 D CB -0.121 40.772 40.800 0.156 0.000 0.941 747 D HN 0.406 nan 8.370 nan 0.000 0.456 748 K N -0.605 119.869 120.400 0.124 0.000 2.097 748 K HA -0.164 4.157 4.320 0.002 0.000 0.206 748 K C 2.070 178.673 176.600 0.005 0.000 1.049 748 K CA 0.942 57.264 56.287 0.058 0.000 0.933 748 K CB -0.188 32.345 32.500 0.055 0.000 0.717 748 K HN 0.245 nan 8.250 nan 0.000 0.442 749 W N 0.609 121.749 121.300 -0.267 0.000 2.409 749 W HA -0.076 4.585 4.660 0.002 0.000 0.299 749 W C 1.457 177.806 176.519 -0.283 0.000 1.203 749 W CA 0.958 58.038 57.345 -0.442 0.000 1.298 749 W CB -0.076 29.060 29.460 -0.539 0.000 1.127 749 W HN -0.119 nan 8.180 nan 0.000 0.528 750 F N 0.564 120.630 119.950 0.194 0.000 2.134 750 F HA -0.170 4.358 4.527 0.002 0.000 0.299 750 F C 2.198 177.960 175.800 -0.063 0.000 1.097 750 F CA 1.496 59.523 58.000 0.045 0.000 1.264 750 F CB -1.247 37.848 39.000 0.159 0.000 1.001 750 F HN -0.171 nan 8.300 nan 0.000 0.479 751 I N -0.439 120.222 120.570 0.152 0.000 2.226 751 I HA -0.319 3.852 4.170 0.002 0.000 0.245 751 I C 2.329 178.422 176.117 -0.040 0.000 1.100 751 I CA 1.206 62.538 61.300 0.054 0.000 1.374 751 I CB -0.523 37.503 38.000 0.044 0.000 1.057 751 I HN 0.094 nan 8.210 nan 0.000 0.413 752 L N -0.181 120.964 121.223 -0.129 0.000 2.046 752 L HA -0.230 4.111 4.340 0.002 0.000 0.208 752 L C 2.763 179.484 176.870 -0.248 0.000 1.077 752 L CA 1.193 55.911 54.840 -0.205 0.000 0.747 752 L CB -0.721 41.159 42.059 -0.299 0.000 0.896 752 L HN 0.336 nan 8.230 nan 0.000 0.432 753 Q N -0.038 119.551 119.800 -0.351 0.000 2.050 753 Q HA -0.190 4.151 4.340 0.002 0.000 0.202 753 Q C 2.426 178.338 176.000 -0.147 0.000 0.980 753 Q CA 1.874 57.471 55.803 -0.344 0.000 0.840 753 Q CB -0.387 28.074 28.738 -0.462 0.000 0.898 753 Q HN 0.545 nan 8.270 nan 0.000 0.424 754 A N 0.939 123.729 122.820 -0.050 0.000 1.969 754 A HA -0.107 4.214 4.320 0.002 0.000 0.218 754 A C 2.020 179.664 177.584 0.100 0.000 1.169 754 A CA 1.880 53.965 52.037 0.079 0.000 0.635 754 A CB -0.462 18.614 19.000 0.127 0.000 0.810 754 A HN 0.491 nan 8.150 nan 0.000 0.445 755 T N -2.924 111.634 114.554 0.006 0.000 3.145 755 T HA 0.300 4.651 4.350 0.002 0.000 0.255 755 T C 0.618 175.299 174.700 -0.031 0.000 1.039 755 T CA 0.454 62.544 62.100 -0.015 0.000 0.928 755 T CB -0.375 68.477 68.868 -0.027 0.000 1.029 755 T HN 0.244 nan 8.240 nan 0.000 0.554 756 S N 3.137 118.811 115.700 -0.042 0.000 2.562 756 S HA 0.230 4.701 4.470 0.002 0.000 0.281 756 S C -1.164 173.419 174.600 -0.029 0.000 1.333 756 S CA -1.215 56.949 58.200 -0.060 0.000 1.052 756 S CB 0.908 64.049 63.200 -0.098 0.000 0.884 756 S HN 0.225 nan 8.310 nan 0.000 0.506 757 P HA 0.159 nan 4.420 nan 0.000 0.245 757 P C 0.162 177.455 177.300 -0.012 0.000 1.212 757 P CA 0.084 63.180 63.100 -0.005 0.000 0.774 757 P CB -0.344 31.369 31.700 0.021 0.000 0.999 758 A N 0.688 123.490 122.820 -0.030 0.000 2.531 758 A HA 0.320 4.641 4.320 0.002 0.000 0.236 758 A C 1.853 179.422 177.584 -0.025 0.000 1.062 758 A CA 0.458 52.473 52.037 -0.036 0.000 0.760 758 A CB -0.015 18.949 19.000 -0.058 0.000 0.995 758 A HN 0.196 nan 8.150 nan 0.000 0.501 759 A N 2.257 125.063 122.820 -0.024 0.000 1.978 759 A HA -0.171 4.150 4.320 0.002 0.000 0.220 759 A C 1.520 179.086 177.584 -0.029 0.000 1.170 759 A CA 1.814 53.839 52.037 -0.020 0.000 0.636 759 A CB -0.559 18.429 19.000 -0.019 0.000 0.810 759 A HN 1.068 nan 8.150 nan 0.000 0.448 760 N N 0.185 118.860 118.700 -0.042 0.000 2.295 760 N HA 0.038 4.779 4.740 0.002 0.000 0.221 760 N C 0.904 176.367 175.510 -0.079 0.000 1.129 760 N CA 0.567 53.582 53.050 -0.059 0.000 0.836 760 N CB -0.241 38.210 38.487 -0.060 0.000 1.040 760 N HN 0.169 nan 8.380 nan 0.000 0.494 761 V N 0.412 120.293 119.914 -0.055 0.000 2.324 761 V HA -0.225 3.896 4.120 0.002 0.000 0.250 761 V C 2.085 178.088 176.094 -0.153 0.000 1.060 761 V CA 1.479 63.744 62.300 -0.059 0.000 1.042 761 V CB -0.426 31.416 31.823 0.032 0.000 0.650 761 V HN 0.363 nan 8.190 nan 0.000 0.450 762 L N 0.662 121.782 121.223 -0.171 0.000 2.046 762 L HA -0.164 4.177 4.340 0.002 0.000 0.208 762 L C 2.463 179.066 176.870 -0.444 0.000 1.077 762 L CA 2.735 57.300 54.840 -0.458 0.000 0.747 762 L CB -1.091 40.760 42.059 -0.347 0.000 0.896 762 L HN 0.618 nan 8.230 nan 0.000 0.432 763 E N -1.252 118.793 120.200 -0.259 0.000 2.070 763 E HA -0.263 4.088 4.350 0.002 0.000 0.197 763 E C 1.853 178.331 176.600 -0.204 0.000 1.004 763 E CA 2.141 58.420 56.400 -0.201 0.000 0.805 763 E CB -0.140 29.485 29.700 -0.125 0.000 0.744 763 E HN 0.586 nan 8.360 nan 0.000 0.451 764 T N 0.334 114.773 114.554 -0.191 0.000 2.708 764 T HA -0.127 4.224 4.350 0.002 0.000 0.266 764 T C 1.942 176.516 174.700 -0.210 0.000 1.037 764 T CA 1.340 63.342 62.100 -0.163 0.000 1.146 764 T CB -0.245 68.533 68.868 -0.151 0.000 0.865 764 T HN 0.035 nan 8.240 nan 0.000 0.435 765 V N 1.555 121.269 119.914 -0.333 0.000 2.287 765 V HA -0.211 3.910 4.120 0.002 0.000 0.248 765 V C 2.668 178.495 176.094 -0.446 0.000 1.053 765 V CA 1.698 63.737 62.300 -0.434 0.000 1.027 765 V CB -0.579 30.819 31.823 -0.709 0.000 0.646 765 V HN 0.389 nan 8.190 nan 0.000 0.447 766 R N 0.038 120.225 120.500 -0.521 0.000 2.091 766 R HA -0.154 4.187 4.340 0.002 0.000 0.238 766 R C 2.473 178.683 176.300 -0.150 0.000 1.136 766 R CA 1.618 57.531 56.100 -0.311 0.000 0.959 766 R CB -0.947 29.192 30.300 -0.268 0.000 0.856 766 R HN 0.610 nan 8.270 nan 0.000 0.437 767 G N 1.030 109.754 108.800 -0.127 0.000 2.422 767 G HA2 -0.219 3.742 3.960 0.002 0.000 0.218 767 G HA3 -0.219 3.742 3.960 0.002 0.000 0.218 767 G C 1.382 176.290 174.900 0.013 0.000 1.146 767 G CA 0.404 45.482 45.100 -0.038 0.000 0.769 767 G HN 0.173 nan 8.290 nan 0.000 0.547 768 L N 0.256 121.469 121.223 -0.017 0.000 2.456 768 L HA 0.101 4.442 4.340 0.002 0.000 0.224 768 L C 2.505 179.302 176.870 -0.121 0.000 1.148 768 L CA -0.052 54.832 54.840 0.073 0.000 0.825 768 L CB -0.231 41.884 42.059 0.093 0.000 0.937 768 L HN 0.206 nan 8.230 nan 0.000 0.450 769 L N -0.549 120.525 121.223 -0.248 0.000 2.265 769 L HA -0.191 4.150 4.340 0.002 0.000 0.215 769 L C 2.029 178.963 176.870 0.108 0.000 1.117 769 L CA 0.768 55.443 54.840 -0.274 0.000 0.782 769 L CB -0.339 41.653 42.059 -0.112 0.000 0.914 769 L HN 0.393 nan 8.230 nan 0.000 0.441 770 Q N -1.738 118.138 119.800 0.127 0.000 2.319 770 Q HA 0.097 4.438 4.340 0.002 0.000 0.202 770 Q C 0.461 176.597 176.000 0.226 0.000 0.896 770 Q CA 0.105 56.009 55.803 0.169 0.000 0.942 770 Q CB -0.168 28.631 28.738 0.102 0.000 1.083 770 Q HN 0.421 nan 8.270 nan 0.000 0.510 771 H N 2.225 121.436 119.070 0.236 0.000 2.815 771 H HA 0.012 4.569 4.556 0.002 0.000 0.350 771 H C 1.301 176.808 175.328 0.299 0.000 1.080 771 H CA 0.510 56.739 56.048 0.302 0.000 1.433 771 H CB 0.851 30.919 29.762 0.509 0.000 1.432 771 H HN 0.172 nan 8.280 nan 0.000 0.592 772 R N 1.907 122.314 120.500 -0.155 0.000 2.170 772 R HA -0.102 4.239 4.340 0.002 0.000 0.242 772 R C 1.144 177.616 176.300 0.287 0.000 1.145 772 R CA 1.874 57.982 56.100 0.013 0.000 0.984 772 R CB -0.149 30.059 30.300 -0.154 0.000 0.869 772 R HN 0.255 nan 8.270 nan 0.000 0.455 773 S N -0.376 115.731 115.700 0.679 0.000 2.556 773 S HA 0.140 4.612 4.470 0.002 0.000 0.216 773 S C -0.224 174.768 174.600 0.652 0.000 0.970 773 S CA -0.482 58.096 58.200 0.630 0.000 0.912 773 S CB 0.025 63.569 63.200 0.573 0.000 0.790 773 S HN 0.271 nan 8.310 nan 0.000 0.504 774 F N 2.382 122.615 119.950 0.472 0.000 2.399 774 F HA 0.610 5.138 4.527 0.002 0.000 0.334 774 F C 0.078 175.929 175.800 0.085 0.000 1.097 774 F CA -0.067 57.994 58.000 0.102 0.000 1.076 774 F CB 1.531 40.475 39.000 -0.093 0.000 1.162 774 F HN -0.142 nan 8.300 nan 0.000 0.495 775 T N 6.702 120.658 114.554 -0.997 0.000 3.041 775 T HA 0.231 4.582 4.350 0.002 0.000 0.321 775 T C 0.509 174.690 174.700 -0.865 0.000 1.184 775 T CA -0.777 60.939 62.100 -0.639 0.000 1.050 775 T CB 1.058 69.821 68.868 -0.174 0.000 1.159 775 T HN 0.647 nan 8.240 nan 0.000 0.469 776 M N 2.808 122.161 119.600 -0.413 0.000 2.549 776 M HA 0.024 4.505 4.480 0.002 0.000 0.260 776 M C 2.224 178.457 176.300 -0.111 0.000 1.076 776 M CA 1.042 56.227 55.300 -0.190 0.000 1.090 776 M CB -1.182 31.427 32.600 0.014 0.000 1.418 776 M HN 0.799 nan 8.290 nan 0.000 0.486 777 S N -0.568 115.093 115.700 -0.065 0.000 2.562 777 S HA 0.011 4.483 4.470 0.002 0.000 0.221 777 S C 0.722 175.451 174.600 0.216 0.000 0.975 777 S CA -0.138 58.102 58.200 0.068 0.000 0.918 777 S CB -0.175 63.087 63.200 0.103 0.000 0.772 777 S HN 0.465 nan 8.310 nan 0.000 0.531 778 N N 1.533 120.247 118.700 0.024 0.000 2.483 778 N HA 0.350 5.091 4.740 0.002 0.000 0.267 778 N C -2.621 172.807 175.510 -0.136 0.000 0.998 778 N CA -1.946 51.053 53.050 -0.085 0.000 0.918 778 N CB 2.125 40.411 38.487 -0.335 0.000 1.215 778 N HN -0.116 nan 8.380 nan 0.000 0.500 779 P HA -0.083 nan 4.420 nan 0.000 0.216 779 P C 0.802 178.060 177.300 -0.070 0.000 1.150 779 P CA 1.146 64.207 63.100 -0.066 0.000 0.843 779 P CB 0.463 32.134 31.700 -0.049 0.000 0.787 780 N N -0.919 117.725 118.700 -0.095 0.000 2.120 780 N HA -0.113 4.628 4.740 0.002 0.000 0.188 780 N C 1.712 177.199 175.510 -0.038 0.000 1.024 780 N CA 1.074 54.084 53.050 -0.067 0.000 0.852 780 N CB -0.561 37.870 38.487 -0.092 0.000 1.003 780 N HN 0.074 nan 8.380 nan 0.000 0.424 781 R N 0.913 121.354 120.500 -0.099 0.000 2.081 781 R HA 0.035 4.376 4.340 0.002 0.000 0.235 781 R C 2.352 178.667 176.300 0.024 0.000 1.131 781 R CA 0.555 56.596 56.100 -0.099 0.000 0.960 781 R CB -1.057 29.007 30.300 -0.393 0.000 0.856 781 R HN 0.350 nan 8.270 nan 0.000 0.436 782 I N 0.725 121.280 120.570 -0.026 0.000 2.163 782 I HA -0.280 3.891 4.170 0.002 0.000 0.243 782 I C 2.509 178.684 176.117 0.096 0.000 1.085 782 I CA 1.482 62.847 61.300 0.108 0.000 1.347 782 I CB -0.227 37.784 38.000 0.017 0.000 1.044 782 I HN 0.117 nan 8.210 nan 0.000 0.408 783 R N 0.406 120.931 120.500 0.041 0.000 2.115 783 R HA -0.107 4.234 4.340 0.002 0.000 0.230 783 R C 2.496 178.833 176.300 0.062 0.000 1.111 783 R CA 1.646 57.767 56.100 0.035 0.000 0.976 783 R CB -0.354 29.952 30.300 0.009 0.000 0.870 783 R HN 0.462 nan 8.270 nan 0.000 0.445 784 S N 0.165 115.918 115.700 0.088 0.000 2.436 784 S HA -0.049 4.422 4.470 0.002 0.000 0.228 784 S C 1.765 176.458 174.600 0.154 0.000 1.014 784 S CA 0.527 58.808 58.200 0.135 0.000 0.950 784 S CB 0.025 63.352 63.200 0.212 0.000 0.784 784 S HN 0.180 nan 8.310 nan 0.000 0.504 785 L N 0.727 122.009 121.223 0.099 0.000 2.379 785 L HA 0.515 4.856 4.340 0.002 0.000 0.190 785 L C 2.068 178.988 176.870 0.082 0.000 1.111 785 L CA 1.024 55.877 54.840 0.022 0.000 0.820 785 L CB -0.529 41.359 42.059 -0.285 0.000 1.046 785 L HN 0.247 nan 8.230 nan 0.000 0.485 786 I N -0.309 120.326 120.570 0.109 0.000 2.277 786 I HA -0.056 4.115 4.170 0.002 0.000 0.243 786 I C 2.422 178.635 176.117 0.161 0.000 1.094 786 I CA 1.171 62.581 61.300 0.184 0.000 1.393 786 I CB -1.037 37.027 38.000 0.107 0.000 1.078 786 I HN 0.388 nan 8.210 nan 0.000 0.417 787 G N 0.669 109.517 108.800 0.081 0.000 2.440 787 G HA2 -0.250 3.711 3.960 0.002 0.000 0.218 787 G HA3 -0.250 3.711 3.960 0.002 0.000 0.218 787 G C 1.855 176.766 174.900 0.019 0.000 1.154 787 G CA 0.899 46.013 45.100 0.023 0.000 0.767 787 G HN 0.478 nan 8.290 nan 0.000 0.552 788 A N 0.266 123.121 122.820 0.060 0.000 1.930 788 A HA 0.102 4.423 4.320 0.002 0.000 0.217 788 A C 2.141 179.756 177.584 0.051 0.000 1.175 788 A CA 1.525 53.589 52.037 0.045 0.000 0.627 788 A CB -0.508 18.531 19.000 0.065 0.000 0.815 788 A HN 0.404 nan 8.150 nan 0.000 0.443 789 F N 1.051 120.988 119.950 -0.022 0.000 2.051 789 F HA -0.085 4.443 4.527 0.002 0.000 0.296 789 F C 2.518 178.281 175.800 -0.062 0.000 1.122 789 F CA 1.571 59.561 58.000 -0.017 0.000 1.201 789 F CB -0.551 38.466 39.000 0.029 0.000 0.978 789 F HN 0.231 nan 8.300 nan 0.000 0.472 790 A N -0.178 122.562 122.820 -0.132 0.000 1.930 790 A HA 0.040 4.361 4.320 0.002 0.000 0.217 790 A C 2.363 179.544 177.584 -0.671 0.000 1.175 790 A CA 1.607 53.225 52.037 -0.697 0.000 0.627 790 A CB -1.645 16.963 19.000 -0.654 0.000 0.815 790 A HN 0.542 nan 8.150 nan 0.000 0.443 791 G N -2.038 106.568 108.800 -0.323 0.000 2.545 791 G HA2 0.169 4.130 3.960 0.002 0.000 0.212 791 G HA3 0.169 4.130 3.960 0.002 0.000 0.212 791 G C 1.339 176.173 174.900 -0.111 0.000 1.144 791 G CA 1.044 46.026 45.100 -0.196 0.000 0.813 791 G HN 0.467 nan 8.290 nan 0.000 0.531 792 S N -0.052 115.584 115.700 -0.106 0.000 2.603 792 S HA 0.174 4.645 4.470 0.002 0.000 0.232 792 S C 0.630 175.183 174.600 -0.077 0.000 1.016 792 S CA -0.402 57.761 58.200 -0.061 0.000 0.976 792 S CB 0.315 63.495 63.200 -0.032 0.000 0.921 792 S HN 0.250 nan 8.310 nan 0.000 0.516 793 N N 2.202 120.808 118.700 -0.157 0.000 2.735 793 N HA 0.261 5.002 4.740 0.002 0.000 0.312 793 N C -2.225 173.171 175.510 -0.189 0.000 1.843 793 N CA -2.050 50.887 53.050 -0.187 0.000 0.945 793 N CB 0.815 39.145 38.487 -0.262 0.000 1.299 793 N HN 0.054 nan 8.380 nan 0.000 0.489 794 P HA -0.125 nan 4.420 nan 0.000 0.218 794 P C 1.120 178.512 177.300 0.154 0.000 1.148 794 P CA 0.883 64.085 63.100 0.170 0.000 0.822 794 P CB 0.323 32.197 31.700 0.291 0.000 0.784 795 A N 0.510 123.356 122.820 0.043 0.000 1.908 795 A HA -0.100 4.221 4.320 0.002 0.000 0.218 795 A C 2.457 180.021 177.584 -0.034 0.000 1.181 795 A CA 2.393 54.439 52.037 0.014 0.000 0.627 795 A CB -1.451 17.539 19.000 -0.016 0.000 0.818 795 A HN 0.264 nan 8.150 nan 0.000 0.445 796 A N -1.660 121.095 122.820 -0.108 0.000 1.903 796 A HA 0.149 4.470 4.320 0.002 0.000 0.213 796 A C 1.983 179.432 177.584 -0.226 0.000 1.185 796 A CA 1.239 53.204 52.037 -0.121 0.000 0.628 796 A CB -0.641 18.327 19.000 -0.053 0.000 0.830 796 A HN 0.635 nan 8.150 nan 0.000 0.446 797 F N 0.693 120.254 119.950 -0.649 0.000 2.161 797 F HA -0.170 4.358 4.527 0.002 0.000 0.300 797 F C 1.727 177.162 175.800 -0.608 0.000 1.089 797 F CA 1.702 59.306 58.000 -0.661 0.000 1.282 797 F CB -0.173 38.408 39.000 -0.698 0.000 1.010 797 F HN 0.366 nan 8.300 nan 0.000 0.485 798 H N 0.463 119.296 119.070 -0.395 0.000 2.568 798 H HA 0.441 4.998 4.556 0.002 0.000 0.302 798 H C 0.758 175.891 175.328 -0.326 0.000 1.065 798 H CA 0.220 56.006 56.048 -0.436 0.000 1.140 798 H CB -0.912 28.741 29.762 -0.182 0.000 1.474 798 H HN 0.192 nan 8.280 nan 0.000 0.545 799 A N 1.054 123.714 122.820 -0.265 0.000 2.587 799 A HA -0.091 4.230 4.320 0.002 0.000 0.235 799 A C 1.426 178.909 177.584 -0.170 0.000 1.044 799 A CA 0.101 52.037 52.037 -0.168 0.000 0.754 799 A CB 0.357 19.268 19.000 -0.148 0.000 0.968 799 A HN 0.493 nan 8.150 nan 0.000 0.509 800 E N 0.868 121.024 120.200 -0.073 0.000 2.268 800 E HA -0.191 4.160 4.350 0.002 0.000 0.195 800 E C 0.729 177.306 176.600 -0.038 0.000 0.995 800 E CA 1.214 57.594 56.400 -0.033 0.000 0.836 800 E CB -0.013 29.685 29.700 -0.003 0.000 0.763 800 E HN 0.923 nan 8.360 nan 0.000 0.491 801 D N -0.516 119.845 120.400 -0.065 0.000 2.363 801 D HA -0.032 4.609 4.640 0.002 0.000 0.226 801 D C 1.329 177.589 176.300 -0.067 0.000 1.020 801 D CA 0.841 54.811 54.000 -0.050 0.000 0.892 801 D CB -0.130 40.643 40.800 -0.045 0.000 0.900 801 D HN 0.184 nan 8.370 nan 0.000 0.531 802 G N 0.247 108.953 108.800 -0.157 0.000 2.162 802 G HA2 -0.389 3.572 3.960 0.002 0.000 0.260 802 G HA3 -0.389 3.572 3.960 0.002 0.000 0.260 802 G C 1.236 175.987 174.900 -0.248 0.000 0.976 802 G CA 1.093 46.067 45.100 -0.209 0.000 0.655 802 G HN 0.662 nan 8.290 nan 0.000 0.533 803 S N -0.375 115.205 115.700 -0.199 0.000 2.399 803 S HA 0.082 4.553 4.470 0.002 0.000 0.231 803 S C 2.471 177.027 174.600 -0.072 0.000 1.022 803 S CA 1.635 59.775 58.200 -0.100 0.000 0.983 803 S CB -0.682 62.473 63.200 -0.075 0.000 0.803 803 S HN 1.538 nan 8.310 nan 0.000 0.480 804 G N 0.545 109.205 108.800 -0.233 0.000 2.402 804 G HA2 -0.090 3.871 3.960 0.002 0.000 0.216 804 G HA3 -0.090 3.871 3.960 0.002 0.000 0.216 804 G C 1.184 176.091 174.900 0.012 0.000 1.162 804 G CA 0.854 45.944 45.100 -0.016 0.000 0.777 804 G HN 0.605 nan 8.290 nan 0.000 0.539 805 Y N 0.773 120.955 120.300 -0.195 0.000 2.200 805 Y HA 0.077 4.628 4.550 0.002 0.000 0.290 805 Y C 2.740 178.670 175.900 0.050 0.000 1.137 805 Y CA 0.194 58.226 58.100 -0.114 0.000 1.163 805 Y CB -0.906 37.434 38.460 -0.199 0.000 0.988 805 Y HN 0.073 nan 8.280 nan 0.000 0.518 806 L N -1.555 119.768 121.223 0.168 0.000 2.046 806 L HA -0.216 4.125 4.340 0.002 0.000 0.208 806 L C 2.352 179.310 176.870 0.147 0.000 1.077 806 L CA 1.447 56.366 54.840 0.131 0.000 0.747 806 L CB -0.710 41.402 42.059 0.088 0.000 0.896 806 L HN 0.181 nan 8.230 nan 0.000 0.432 807 F N 0.767 120.744 119.950 0.045 0.000 2.102 807 F HA -0.259 4.269 4.527 0.002 0.000 0.298 807 F C 2.225 178.071 175.800 0.077 0.000 1.105 807 F CA 1.544 59.557 58.000 0.021 0.000 1.239 807 F CB -0.283 38.688 39.000 -0.049 0.000 0.991 807 F HN -0.084 nan 8.300 nan 0.000 0.474 808 L N -0.084 121.162 121.223 0.039 0.000 2.046 808 L HA -0.119 4.222 4.340 0.002 0.000 0.208 808 L C 2.279 179.106 176.870 -0.071 0.000 1.077 808 L CA 1.472 56.285 54.840 -0.045 0.000 0.747 808 L CB -0.940 41.293 42.059 0.291 0.000 0.896 808 L HN 0.073 nan 8.230 nan 0.000 0.432 809 V N -0.172 119.753 119.914 0.017 0.000 2.287 809 V HA -0.343 3.778 4.120 0.002 0.000 0.248 809 V C 2.599 178.662 176.094 -0.052 0.000 1.053 809 V CA 2.119 64.420 62.300 0.002 0.000 1.027 809 V CB -0.662 31.183 31.823 0.037 0.000 0.646 809 V HN 0.596 nan 8.190 nan 0.000 0.447 810 E N -0.511 119.637 120.200 -0.085 0.000 2.058 810 E HA -0.260 4.091 4.350 0.002 0.000 0.194 810 E C 2.306 178.814 176.600 -0.153 0.000 0.997 810 E CA 1.642 57.981 56.400 -0.101 0.000 0.801 810 E CB -0.068 29.578 29.700 -0.089 0.000 0.746 810 E HN 0.384 nan 8.360 nan 0.000 0.450 811 M N 0.238 119.664 119.600 -0.290 0.000 2.132 811 M HA -0.124 4.357 4.480 0.002 0.000 0.263 811 M C 2.425 178.646 176.300 -0.132 0.000 1.065 811 M CA 1.171 56.317 55.300 -0.257 0.000 1.122 811 M CB -0.865 31.485 32.600 -0.417 0.000 1.365 811 M HN 0.211 nan 8.290 nan 0.000 0.411 812 L N -0.717 120.441 121.223 -0.110 0.000 2.217 812 L HA -0.139 4.203 4.340 0.002 0.000 0.211 812 L C 2.340 179.187 176.870 -0.038 0.000 1.107 812 L CA 0.865 55.670 54.840 -0.059 0.000 0.783 812 L CB -0.918 41.118 42.059 -0.037 0.000 0.919 812 L HN 0.302 nan 8.230 nan 0.000 0.442 813 T N -1.008 113.523 114.554 -0.038 0.000 2.746 813 T HA -0.220 4.131 4.350 0.002 0.000 0.267 813 T C 1.616 176.305 174.700 -0.019 0.000 1.039 813 T CA 1.622 63.709 62.100 -0.020 0.000 1.142 813 T CB -0.196 68.662 68.868 -0.016 0.000 0.866 813 T HN 0.408 nan 8.240 nan 0.000 0.444 814 D N 1.227 121.611 120.400 -0.027 0.000 2.077 814 D HA -0.053 4.588 4.640 0.002 0.000 0.196 814 D C 2.115 178.402 176.300 -0.021 0.000 0.986 814 D CA 0.999 54.987 54.000 -0.019 0.000 0.829 814 D CB -0.243 40.547 40.800 -0.015 0.000 0.983 814 D HN 0.321 nan 8.370 nan 0.000 0.453 815 L N 0.553 121.758 121.223 -0.030 0.000 2.201 815 L HA -0.117 4.224 4.340 0.002 0.000 0.212 815 L C 2.341 179.191 176.870 -0.032 0.000 1.105 815 L CA 0.786 55.606 54.840 -0.033 0.000 0.775 815 L CB -0.603 41.432 42.059 -0.040 0.000 0.913 815 L HN 0.106 nan 8.230 nan 0.000 0.440 816 N N -0.233 118.453 118.700 -0.024 0.000 2.137 816 N HA -0.194 4.547 4.740 0.002 0.000 0.190 816 N C 1.794 177.295 175.510 -0.015 0.000 1.017 816 N CA 1.855 54.896 53.050 -0.015 0.000 0.859 816 N CB 0.084 38.570 38.487 -0.003 0.000 1.002 816 N HN 0.131 nan 8.380 nan 0.000 0.428 817 S N -0.752 114.939 115.700 -0.015 0.000 2.404 817 S HA 0.083 4.554 4.470 0.002 0.000 0.223 817 S C 1.782 176.368 174.600 -0.023 0.000 1.040 817 S CA 0.163 58.355 58.200 -0.013 0.000 0.957 817 S CB -0.067 63.129 63.200 -0.007 0.000 0.826 817 S HN 0.355 nan 8.310 nan 0.000 0.491 818 R N 1.265 121.748 120.500 -0.028 0.000 2.062 818 R HA 0.089 4.430 4.340 0.002 0.000 0.226 818 R C -0.054 176.210 176.300 -0.059 0.000 1.125 818 R CA 1.132 57.210 56.100 -0.037 0.000 0.966 818 R CB 0.169 30.450 30.300 -0.031 0.000 0.861 818 R HN 0.219 nan 8.270 nan 0.000 0.433 819 N N -0.735 117.926 118.700 -0.064 0.000 2.839 819 N HA 0.145 4.886 4.740 0.002 0.000 0.230 819 N C -2.515 172.944 175.510 -0.084 0.000 1.388 819 N CA -1.299 51.695 53.050 -0.092 0.000 0.747 819 N CB 1.636 40.065 38.487 -0.098 0.000 1.411 819 N HN -0.115 nan 8.380 nan 0.000 0.556 820 P HA -0.159 nan 4.420 nan 0.000 0.218 820 P C 1.332 178.586 177.300 -0.076 0.000 1.148 820 P CA 1.142 64.205 63.100 -0.061 0.000 0.822 820 P CB 0.527 32.199 31.700 -0.048 0.000 0.784 821 Q N -0.223 119.511 119.800 -0.110 0.000 2.050 821 Q HA -0.131 4.210 4.340 0.002 0.000 0.202 821 Q C 1.880 177.813 176.000 -0.112 0.000 0.980 821 Q CA 1.610 57.337 55.803 -0.127 0.000 0.840 821 Q CB -0.421 28.207 28.738 -0.184 0.000 0.898 821 Q HN 0.035 nan 8.270 nan 0.000 0.424 822 V N 0.811 120.659 119.914 -0.109 0.000 2.427 822 V HA -0.219 3.902 4.120 0.002 0.000 0.248 822 V C 2.338 178.391 176.094 -0.068 0.000 1.051 822 V CA 1.518 63.766 62.300 -0.088 0.000 1.048 822 V CB -0.948 30.826 31.823 -0.082 0.000 0.666 822 V HN 0.497 nan 8.190 nan 0.000 0.456 823 A N -0.487 122.296 122.820 -0.063 0.000 1.883 823 A HA -0.271 4.050 4.320 0.002 0.000 0.217 823 A C 2.565 180.121 177.584 -0.048 0.000 1.186 823 A CA 2.444 54.451 52.037 -0.050 0.000 0.624 823 A CB -0.816 18.160 19.000 -0.040 0.000 0.822 823 A HN 0.489 nan 8.150 nan 0.000 0.444 824 S N -0.995 114.673 115.700 -0.053 0.000 2.406 824 S HA -0.124 4.347 4.470 0.002 0.000 0.228 824 S C 2.142 176.706 174.600 -0.060 0.000 1.020 824 S CA 1.085 59.254 58.200 -0.052 0.000 0.965 824 S CB -0.346 62.821 63.200 -0.055 0.000 0.798 824 S HN 0.603 nan 8.310 nan 0.000 0.488 825 R N 0.007 120.468 120.500 -0.066 0.000 2.083 825 R HA -0.034 4.307 4.340 0.002 0.000 0.237 825 R C 1.907 178.171 176.300 -0.060 0.000 1.137 825 R CA 1.438 57.500 56.100 -0.064 0.000 0.951 825 R CB -0.481 29.780 30.300 -0.065 0.000 0.851 825 R HN 0.335 nan 8.270 nan 0.000 0.434 826 L N 0.355 121.543 121.223 -0.058 0.000 2.395 826 L HA -0.001 4.340 4.340 0.002 0.000 0.218 826 L C 2.020 178.848 176.870 -0.069 0.000 1.130 826 L CA 1.053 55.854 54.840 -0.065 0.000 0.826 826 L CB -0.199 41.826 42.059 -0.056 0.000 0.941 826 L HN 0.169 nan 8.230 nan 0.000 0.451 827 I N -0.969 119.573 120.570 -0.047 0.000 3.111 827 I HA -0.184 3.987 4.170 0.002 0.000 0.272 827 I C 2.235 178.339 176.117 -0.021 0.000 1.268 827 I CA 0.387 61.672 61.300 -0.025 0.000 1.467 827 I CB 0.275 38.267 38.000 -0.014 0.000 1.087 827 I HN 0.241 nan 8.210 nan 0.000 0.467 828 E N 1.650 121.827 120.200 -0.038 0.000 2.070 828 E HA -0.217 4.134 4.350 0.002 0.000 0.197 828 E C -0.756 175.848 176.600 0.007 0.000 1.004 828 E CA 1.924 58.313 56.400 -0.017 0.000 0.805 828 E CB -0.999 28.686 29.700 -0.024 0.000 0.744 828 E HN 0.356 nan 8.360 nan 0.000 0.451 829 P HA -0.134 nan 4.420 nan 0.000 0.219 829 P C 1.064 178.469 177.300 0.174 0.000 1.146 829 P CA 0.779 63.866 63.100 -0.021 0.000 0.808 829 P CB 0.069 31.506 31.700 -0.439 0.000 0.779 830 L N -0.366 120.947 121.223 0.151 0.000 2.240 830 L HA 0.016 4.357 4.340 0.002 0.000 0.211 830 L C 1.895 178.820 176.870 0.092 0.000 1.106 830 L CA 1.239 56.181 54.840 0.171 0.000 0.793 830 L CB -1.096 41.047 42.059 0.140 0.000 0.927 830 L HN -0.037 nan 8.230 nan 0.000 0.446 831 I N -3.893 116.725 120.570 0.080 0.000 3.564 831 I HA 0.009 4.180 4.170 0.002 0.000 0.294 831 I C 1.305 177.483 176.117 0.103 0.000 1.289 831 I CA 0.411 61.749 61.300 0.064 0.000 1.325 831 I CB -0.333 37.688 38.000 0.035 0.000 1.039 831 I HN -0.026 nan 8.210 nan 0.000 0.474 832 R N 2.003 122.603 120.500 0.167 0.000 2.335 832 R HA 0.180 4.521 4.340 0.002 0.000 0.223 832 R C 2.028 178.518 176.300 0.318 0.000 0.940 832 R CA 0.314 56.560 56.100 0.244 0.000 1.086 832 R CB -0.761 29.749 30.300 0.350 0.000 1.073 832 R HN 0.647 nan 8.270 nan 0.000 0.504 833 L N -1.271 120.077 121.223 0.209 0.000 2.129 833 L HA -0.104 4.237 4.340 0.002 0.000 0.212 833 L C 1.589 178.590 176.870 0.217 0.000 1.087 833 L CA 1.539 56.495 54.840 0.194 0.000 0.757 833 L CB -0.510 41.571 42.059 0.038 0.000 0.896 833 L HN -0.061 nan 8.230 nan 0.000 0.434 834 K N -0.065 120.419 120.400 0.140 0.000 2.442 834 K HA -0.003 4.318 4.320 0.002 0.000 0.198 834 K C 1.814 178.446 176.600 0.053 0.000 1.042 834 K CA 0.424 56.762 56.287 0.085 0.000 0.958 834 K CB 0.014 32.549 32.500 0.058 0.000 0.766 834 K HN 0.324 nan 8.250 nan 0.000 0.474 835 R N -0.167 120.360 120.500 0.045 0.000 2.313 835 R HA 0.065 4.406 4.340 0.002 0.000 0.199 835 R C 0.148 176.188 176.300 -0.433 0.000 0.958 835 R CA 0.543 56.531 56.100 -0.187 0.000 1.047 835 R CB -0.038 30.092 30.300 -0.284 0.000 0.955 835 R HN 0.163 nan 8.270 nan 0.000 0.481 836 Y N 0.281 120.564 120.300 -0.028 0.000 2.602 836 Y HA 0.128 4.679 4.550 0.002 0.000 0.330 836 Y C 0.581 176.460 175.900 -0.034 0.000 1.114 836 Y CA -1.760 56.302 58.100 -0.063 0.000 1.182 836 Y CB 0.694 39.092 38.460 -0.104 0.000 1.305 836 Y HN 0.043 nan 8.280 nan 0.000 0.502 837 D N -0.149 120.327 120.400 0.127 0.000 2.361 837 D HA 0.250 4.891 4.640 0.002 0.000 0.239 837 D C 0.943 177.287 176.300 0.072 0.000 1.200 837 D CA 0.184 54.225 54.000 0.069 0.000 0.915 837 D CB 0.886 41.719 40.800 0.054 0.000 1.170 837 D HN 0.641 nan 8.370 nan 0.000 0.444 838 A N 1.024 123.872 122.820 0.047 0.000 1.917 838 A HA -0.303 4.018 4.320 0.002 0.000 0.219 838 A C 2.034 179.642 177.584 0.039 0.000 1.182 838 A CA 2.077 54.137 52.037 0.038 0.000 0.633 838 A CB -0.901 18.116 19.000 0.028 0.000 0.819 838 A HN 0.734 nan 8.150 nan 0.000 0.448 839 K N -0.651 119.776 120.400 0.044 0.000 2.057 839 K HA -0.135 4.186 4.320 0.002 0.000 0.206 839 K C 2.316 178.952 176.600 0.060 0.000 1.050 839 K CA 1.303 57.618 56.287 0.046 0.000 0.935 839 K CB -0.183 32.344 32.500 0.045 0.000 0.715 839 K HN 0.459 nan 8.250 nan 0.000 0.439 840 R N 0.383 120.931 120.500 0.081 0.000 2.075 840 R HA -0.101 4.240 4.340 0.002 0.000 0.232 840 R C 2.550 178.842 176.300 -0.012 0.000 1.126 840 R CA 1.577 57.734 56.100 0.095 0.000 0.963 840 R CB -0.211 30.171 30.300 0.137 0.000 0.858 840 R HN 0.364 nan 8.270 nan 0.000 0.435 841 Q N 0.478 120.290 119.800 0.020 0.000 2.077 841 Q HA -0.235 4.106 4.340 0.002 0.000 0.206 841 Q C 2.015 177.990 176.000 -0.043 0.000 0.989 841 Q CA 1.537 57.335 55.803 -0.008 0.000 0.853 841 Q CB -0.083 28.673 28.738 0.031 0.000 0.907 841 Q HN 0.425 nan 8.270 nan 0.000 0.418 842 E N 0.646 120.836 120.200 -0.016 0.000 2.049 842 E HA -0.222 4.129 4.350 0.002 0.000 0.198 842 E C 1.961 178.540 176.600 -0.035 0.000 1.007 842 E CA 1.264 57.655 56.400 -0.014 0.000 0.809 842 E CB 0.081 29.787 29.700 0.009 0.000 0.749 842 E HN 0.240 nan 8.360 nan 0.000 0.450 843 K N -0.234 120.144 120.400 -0.036 0.000 2.097 843 K HA -0.097 4.224 4.320 0.002 0.000 0.205 843 K C 2.183 178.664 176.600 -0.198 0.000 1.050 843 K CA 1.259 57.526 56.287 -0.033 0.000 0.938 843 K CB -0.076 32.498 32.500 0.123 0.000 0.718 843 K HN 0.170 nan 8.250 nan 0.000 0.442 844 M N -0.096 119.259 119.600 -0.407 0.000 2.200 844 M HA -0.114 4.367 4.480 0.002 0.000 0.265 844 M C 2.323 178.497 176.300 -0.210 0.000 1.066 844 M CA 1.325 56.319 55.300 -0.509 0.000 1.127 844 M CB -0.173 32.100 32.600 -0.545 0.000 1.379 844 M HN 0.051 nan 8.290 nan 0.000 0.420 845 R N 0.615 121.038 120.500 -0.128 0.000 2.073 845 R HA -0.130 4.211 4.340 0.002 0.000 0.234 845 R C 2.236 178.509 176.300 -0.045 0.000 1.134 845 R CA 1.735 57.798 56.100 -0.062 0.000 0.952 845 R CB -0.302 29.977 30.300 -0.036 0.000 0.850 845 R HN 0.372 nan 8.270 nan 0.000 0.433 846 A N 0.517 123.312 122.820 -0.042 0.000 1.908 846 A HA -0.149 4.172 4.320 0.002 0.000 0.218 846 A C 2.326 179.904 177.584 -0.010 0.000 1.181 846 A CA 1.788 53.816 52.037 -0.015 0.000 0.627 846 A CB -0.830 18.169 19.000 -0.002 0.000 0.818 846 A HN 0.533 nan 8.150 nan 0.000 0.445 847 A N -0.293 122.512 122.820 -0.025 0.000 1.877 847 A HA -0.056 4.265 4.320 0.002 0.000 0.216 847 A C 2.181 179.764 177.584 -0.002 0.000 1.186 847 A CA 1.550 53.586 52.037 -0.002 0.000 0.620 847 A CB -0.637 18.360 19.000 -0.005 0.000 0.822 847 A HN 0.473 nan 8.150 nan 0.000 0.443 848 L N -0.615 120.596 121.223 -0.020 0.000 2.083 848 L HA -0.168 4.173 4.340 0.002 0.000 0.209 848 L C 2.646 179.514 176.870 -0.002 0.000 1.083 848 L CA 1.233 56.067 54.840 -0.011 0.000 0.752 848 L CB -0.505 41.541 42.059 -0.022 0.000 0.899 848 L HN 0.372 nan 8.230 nan 0.000 0.433 849 E N -0.190 120.008 120.200 -0.003 0.000 2.110 849 E HA -0.266 4.085 4.350 0.002 0.000 0.193 849 E C 2.072 178.681 176.600 0.015 0.000 0.988 849 E CA 1.103 57.508 56.400 0.007 0.000 0.804 849 E CB -0.077 29.627 29.700 0.006 0.000 0.745 849 E HN 0.402 nan 8.360 nan 0.000 0.458 850 Q N 1.072 120.881 119.800 0.015 0.000 2.061 850 Q HA -0.116 4.225 4.340 0.002 0.000 0.204 850 Q C 2.221 178.234 176.000 0.022 0.000 0.984 850 Q CA 1.344 57.159 55.803 0.019 0.000 0.846 850 Q CB -0.409 28.342 28.738 0.021 0.000 0.902 850 Q HN 0.273 nan 8.270 nan 0.000 0.421 851 L N 0.202 121.437 121.223 0.020 0.000 2.093 851 L HA -0.137 4.204 4.340 0.002 0.000 0.208 851 L C 2.592 179.483 176.870 0.034 0.000 1.085 851 L CA 1.529 56.383 54.840 0.023 0.000 0.755 851 L CB -0.555 41.515 42.059 0.019 0.000 0.904 851 L HN 0.249 nan 8.230 nan 0.000 0.435 852 K N 0.512 120.932 120.400 0.034 0.000 2.211 852 K HA -0.153 4.168 4.320 0.002 0.000 0.204 852 K C 1.764 178.403 176.600 0.064 0.000 1.047 852 K CA 1.367 57.686 56.287 0.054 0.000 0.935 852 K CB -0.185 32.338 32.500 0.037 0.000 0.728 852 K HN 0.378 nan 8.250 nan 0.000 0.452 853 G N 0.850 109.677 108.800 0.046 0.000 2.985 853 G HA2 0.077 4.039 3.960 0.002 0.000 0.209 853 G HA3 0.077 4.039 3.960 0.002 0.000 0.209 853 G C 0.357 175.279 174.900 0.038 0.000 1.165 853 G CA -0.361 44.764 45.100 0.042 0.000 0.776 853 G HN 0.093 nan 8.290 nan 0.000 0.541 854 L N 1.105 122.351 121.223 0.038 0.000 2.490 854 L HA 0.103 4.444 4.340 0.002 0.000 0.274 854 L C 0.947 177.835 176.870 0.030 0.000 1.201 854 L CA -0.263 54.595 54.840 0.030 0.000 0.869 854 L CB 0.746 42.822 42.059 0.028 0.000 1.123 854 L HN 0.239 nan 8.230 nan 0.000 0.484 855 E N 3.708 123.921 120.200 0.023 0.000 2.414 855 E HA -0.081 4.270 4.350 0.002 0.000 0.263 855 E C -0.064 176.546 176.600 0.018 0.000 1.000 855 E CA 0.023 56.435 56.400 0.019 0.000 0.914 855 E CB 0.145 29.855 29.700 0.015 0.000 0.948 855 E HN 0.653 nan 8.360 nan 0.000 0.444 856 N N 1.742 120.451 118.700 0.015 0.000 2.738 856 N HA -0.237 4.504 4.740 0.002 0.000 0.249 856 N C -0.835 174.686 175.510 0.017 0.000 1.047 856 N CA 0.037 53.094 53.050 0.012 0.000 0.707 856 N CB -0.931 37.561 38.487 0.009 0.000 0.937 856 N HN 0.344 nan 8.380 nan 0.000 0.545 857 L N 1.316 122.555 121.223 0.028 0.000 2.462 857 L HA 0.178 4.519 4.340 0.002 0.000 0.272 857 L C 0.730 177.626 176.870 0.044 0.000 1.166 857 L CA 0.043 54.912 54.840 0.049 0.000 0.880 857 L CB 0.546 42.658 42.059 0.089 0.000 1.142 857 L HN 0.311 nan 8.230 nan 0.000 0.473 858 S N 2.913 118.639 115.700 0.044 0.000 2.572 858 S HA 0.270 4.741 4.470 0.002 0.000 0.279 858 S C 1.398 176.043 174.600 0.076 0.000 1.341 858 S CA -0.244 57.979 58.200 0.039 0.000 1.043 858 S CB 1.017 64.230 63.200 0.021 0.000 0.887 858 S HN 0.902 nan 8.310 nan 0.000 0.516 859 G N 1.507 110.341 108.800 0.058 0.000 2.442 859 G HA2 -0.229 3.732 3.960 0.002 0.000 0.219 859 G HA3 -0.229 3.732 3.960 0.002 0.000 0.219 859 G C 0.737 175.720 174.900 0.138 0.000 1.141 859 G CA 1.118 46.277 45.100 0.098 0.000 0.763 859 G HN 0.806 nan 8.290 nan 0.000 0.554 860 D N 0.430 120.875 120.400 0.074 0.000 2.092 860 D HA -0.103 4.538 4.640 0.002 0.000 0.193 860 D C 2.502 178.831 176.300 0.048 0.000 0.994 860 D CA 0.759 54.785 54.000 0.044 0.000 0.828 860 D CB -0.258 40.542 40.800 -0.001 0.000 0.963 860 D HN 0.315 nan 8.370 nan 0.000 0.450 861 L N -0.705 120.553 121.223 0.058 0.000 2.131 861 L HA -0.094 4.247 4.340 0.002 0.000 0.206 861 L C 2.266 179.179 176.870 0.073 0.000 1.087 861 L CA 0.624 55.492 54.840 0.047 0.000 0.767 861 L CB -0.446 41.637 42.059 0.039 0.000 0.917 861 L HN 0.119 nan 8.230 nan 0.000 0.441 862 Y N 1.477 121.784 120.300 0.011 0.000 2.114 862 Y HA -0.365 4.186 4.550 0.002 0.000 0.282 862 Y C 2.627 178.544 175.900 0.028 0.000 1.165 862 Y CA 2.261 60.373 58.100 0.021 0.000 1.148 862 Y CB -0.185 38.291 38.460 0.026 0.000 0.972 862 Y HN 0.216 nan 8.280 nan 0.000 0.504 863 E N 0.083 120.327 120.200 0.074 0.000 2.058 863 E HA -0.251 4.100 4.350 0.002 0.000 0.194 863 E C 2.119 178.668 176.600 -0.085 0.000 0.997 863 E CA 1.850 58.248 56.400 -0.003 0.000 0.801 863 E CB -0.116 29.655 29.700 0.119 0.000 0.746 863 E HN 0.517 nan 8.360 nan 0.000 0.450 864 K N -0.024 120.340 120.400 -0.060 0.000 2.062 864 K HA -0.077 4.244 4.320 0.002 0.000 0.205 864 K C 2.255 178.811 176.600 -0.073 0.000 1.051 864 K CA 1.235 57.486 56.287 -0.060 0.000 0.941 864 K CB -0.083 32.388 32.500 -0.047 0.000 0.719 864 K HN 0.226 nan 8.250 nan 0.000 0.440 865 I N 0.973 121.485 120.570 -0.095 0.000 2.179 865 I HA -0.265 3.906 4.170 0.002 0.000 0.242 865 I C 2.198 178.233 176.117 -0.135 0.000 1.088 865 I CA 1.282 62.526 61.300 -0.093 0.000 1.357 865 I CB -0.498 37.458 38.000 -0.073 0.000 1.051 865 I HN 0.160 nan 8.210 nan 0.000 0.409 866 T N 0.797 115.193 114.554 -0.264 0.000 2.684 866 T HA -0.221 4.130 4.350 0.002 0.000 0.267 866 T C 1.896 176.523 174.700 -0.122 0.000 1.036 866 T CA 1.465 63.405 62.100 -0.266 0.000 1.148 866 T CB -0.215 68.356 68.868 -0.495 0.000 0.863 866 T HN 0.316 nan 8.240 nan 0.000 0.436 867 K N 1.026 121.371 120.400 -0.092 0.000 2.057 867 K HA 0.059 4.380 4.320 0.002 0.000 0.207 867 K C 2.697 179.291 176.600 -0.010 0.000 1.049 867 K CA 1.147 57.420 56.287 -0.023 0.000 0.931 867 K CB -0.284 32.218 32.500 0.004 0.000 0.714 867 K HN 0.292 nan 8.250 nan 0.000 0.440 868 A N 1.200 124.008 122.820 -0.020 0.000 1.933 868 A HA -0.093 4.228 4.320 0.002 0.000 0.218 868 A C 1.966 179.548 177.584 -0.004 0.000 1.175 868 A CA 1.209 53.244 52.037 -0.002 0.000 0.628 868 A CB -0.422 18.576 19.000 -0.004 0.000 0.814 868 A HN 0.173 nan 8.150 nan 0.000 0.444 869 L N -0.832 120.379 121.223 -0.019 0.000 2.558 869 L HA 0.177 4.518 4.340 0.002 0.000 0.225 869 L C 1.630 178.497 176.870 -0.004 0.000 1.128 869 L CA -0.033 54.799 54.840 -0.013 0.000 0.868 869 L CB -0.460 41.586 42.059 -0.022 0.000 1.006 869 L HN 0.422 nan 8.230 nan 0.000 0.454 870 A N 0.000 122.819 122.820 -0.002 0.000 2.254 870 A HA 0.000 4.321 4.320 0.002 0.000 0.244 870 A CA 0.000 52.043 52.037 0.010 0.000 0.836 870 A CB 0.000 19.009 19.000 0.015 0.000 0.831 870 A HN 0.000 nan 8.150 nan 0.000 0.486