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 2hpt_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 0.000 177.285 177.300 -0.025 0.000 1.155 5 P CA 0.000 63.015 63.100 -0.142 0.000 0.800 5 P CB 0.000 31.512 31.700 -0.312 0.000 0.726 6 Q N 1.317 121.136 119.800 0.031 0.000 2.278 6 Q HA 0.683 5.025 4.340 0.002 0.000 0.257 6 Q C -0.013 176.033 176.000 0.077 0.000 0.928 6 Q CA -0.324 55.524 55.803 0.075 0.000 0.932 6 Q CB 2.613 31.398 28.738 0.078 0.000 1.221 6 Q HN 0.709 nan 8.270 nan 0.000 0.434 7 A N 3.958 126.827 122.820 0.082 0.000 2.498 7 A HA 0.177 4.499 4.320 0.002 0.000 0.239 7 A C 0.043 177.541 177.584 -0.142 0.000 1.068 7 A CA 0.219 52.215 52.037 -0.068 0.000 0.766 7 A CB 0.375 19.277 19.000 -0.163 0.000 1.003 7 A HN 0.520 nan 8.150 nan 0.000 0.497 8 K N 0.840 121.112 120.400 -0.213 0.000 2.259 8 K HA 0.507 4.828 4.320 0.002 0.000 0.249 8 K C -1.751 174.711 176.600 -0.229 0.000 0.942 8 K CA -0.276 55.980 56.287 -0.052 0.000 0.816 8 K CB 1.855 34.450 32.500 0.159 0.000 1.155 8 K HN 0.665 nan 8.250 nan 0.000 0.428 9 Y N 0.530 120.837 120.300 0.012 0.000 2.376 9 Y HA 0.274 4.825 4.550 0.002 0.000 0.340 9 Y C 1.442 176.820 175.900 -0.869 0.000 0.965 9 Y CA -0.696 57.136 58.100 -0.446 0.000 1.078 9 Y CB 1.991 40.060 38.460 -0.651 0.000 1.193 9 Y HN 0.593 nan 8.280 nan 0.000 0.452 10 R N 1.587 121.291 120.500 -1.327 0.000 2.127 10 R HA -0.170 4.171 4.340 0.002 0.000 0.238 10 R C 1.695 177.725 176.300 -0.450 0.000 1.134 10 R CA 2.032 57.301 56.100 -1.383 0.000 0.975 10 R CB -0.212 29.444 30.300 -1.073 0.000 0.865 10 R HN 0.934 nan 8.270 nan 0.000 0.447 11 H N -1.941 117.032 119.070 -0.161 0.000 2.559 11 H HA 0.005 4.563 4.556 0.002 0.000 0.273 11 H C 0.277 175.618 175.328 0.021 0.000 1.000 11 H CA 0.464 56.490 56.048 -0.037 0.000 1.195 11 H CB 0.101 29.846 29.762 -0.029 0.000 1.368 11 H HN 0.223 nan 8.280 nan 0.000 0.592 12 D N 0.777 121.160 120.400 -0.027 0.000 2.349 12 D HA -0.063 4.578 4.640 0.002 0.000 0.224 12 D C 0.193 176.544 176.300 0.085 0.000 1.029 12 D CA -0.055 53.996 54.000 0.086 0.000 0.879 12 D CB -0.499 40.350 40.800 0.082 0.000 0.906 12 D HN 0.390 nan 8.370 nan 0.000 0.528 13 Y N 2.260 122.573 120.300 0.022 0.000 2.810 13 Y HA -0.036 4.515 4.550 0.002 0.000 0.332 13 Y C 0.347 176.278 175.900 0.052 0.000 1.243 13 Y CA 0.363 58.494 58.100 0.052 0.000 1.537 13 Y CB 0.298 38.783 38.460 0.042 0.000 1.265 13 Y HN -0.238 nan 8.280 nan 0.000 0.572 14 R N 4.808 124.724 120.500 -0.974 0.000 2.604 14 R HA 0.668 5.009 4.340 0.002 0.000 0.281 14 R C -1.060 174.719 176.300 -0.868 0.000 1.020 14 R CA -0.649 55.049 56.100 -0.670 0.000 0.899 14 R CB 1.265 31.409 30.300 -0.260 0.000 1.205 14 R HN 0.887 nan 8.270 nan 0.000 0.450 15 A N 5.157 127.705 122.820 -0.454 0.000 2.561 15 A HA 0.190 4.511 4.320 0.002 0.000 0.234 15 A C -1.979 175.508 177.584 -0.161 0.000 1.055 15 A CA -0.631 51.289 52.037 -0.195 0.000 0.756 15 A CB -0.366 18.617 19.000 -0.029 0.000 0.986 15 A HN 0.511 nan 8.150 nan 0.000 0.505 16 P HA 0.099 nan 4.420 nan 0.000 0.271 16 P C -0.183 177.100 177.300 -0.029 0.000 1.216 16 P CA -0.236 62.835 63.100 -0.048 0.000 0.776 16 P CB 0.694 32.380 31.700 -0.024 0.000 0.881 17 D N 0.747 121.162 120.400 0.024 0.000 2.182 17 D HA -0.115 4.526 4.640 0.002 0.000 0.201 17 D C 0.132 176.304 176.300 -0.214 0.000 0.986 17 D CA 1.872 55.846 54.000 -0.043 0.000 0.847 17 D CB -0.108 40.720 40.800 0.046 0.000 0.942 17 D HN 0.461 nan 8.370 nan 0.000 0.467 18 Y N -0.198 120.141 120.300 0.065 0.000 2.462 18 Y HA 0.338 4.889 4.550 0.002 0.000 0.346 18 Y C 0.431 176.342 175.900 0.019 0.000 0.976 18 Y CA -0.979 57.175 58.100 0.090 0.000 1.044 18 Y CB 1.523 40.020 38.460 0.061 0.000 1.230 18 Y HN -0.354 nan 8.280 nan 0.000 0.455 19 Q N 2.357 122.276 119.800 0.200 0.000 2.226 19 Q HA 0.558 4.899 4.340 0.002 0.000 0.256 19 Q C -1.029 174.976 176.000 0.008 0.000 0.962 19 Q CA -0.708 55.125 55.803 0.050 0.000 0.887 19 Q CB 2.857 31.609 28.738 0.024 0.000 1.282 19 Q HN 0.693 nan 8.270 nan 0.000 0.449 20 I N 1.015 121.550 120.570 -0.058 0.000 2.362 20 I HA 0.155 4.326 4.170 0.002 0.000 0.289 20 I C 1.235 177.331 176.117 -0.035 0.000 0.994 20 I CA -0.124 61.123 61.300 -0.089 0.000 1.158 20 I CB 1.907 39.817 38.000 -0.151 0.000 1.315 20 I HN 0.711 nan 8.210 nan 0.000 0.451 21 T N 0.075 114.604 114.554 -0.043 0.000 3.037 21 T HA 0.222 4.574 4.350 0.002 0.000 0.252 21 T C 0.354 175.038 174.700 -0.027 0.000 1.073 21 T CA 0.272 62.362 62.100 -0.017 0.000 1.091 21 T CB 0.219 69.075 68.868 -0.019 0.000 0.935 21 T HN 0.458 nan 8.240 nan 0.000 0.488 22 D N 0.247 120.608 120.400 -0.065 0.000 2.927 22 D HA 0.467 5.108 4.640 0.002 0.000 0.219 22 D C -1.656 174.556 176.300 -0.147 0.000 1.248 22 D CA -0.492 53.455 54.000 -0.088 0.000 0.861 22 D CB 2.823 43.586 40.800 -0.062 0.000 1.677 22 D HN 0.269 nan 8.370 nan 0.000 0.511 23 I N 0.980 121.396 120.570 -0.256 0.000 2.569 23 I HA 0.235 4.406 4.170 0.002 0.000 0.290 23 I C -1.615 174.370 176.117 -0.220 0.000 1.088 23 I CA -0.521 60.603 61.300 -0.294 0.000 1.047 23 I CB 2.188 39.881 38.000 -0.512 0.000 1.237 23 I HN 0.163 nan 8.210 nan 0.000 0.421 24 D N 8.663 128.990 120.400 -0.121 0.000 2.392 24 D HA 0.379 5.021 4.640 0.002 0.000 0.228 24 D C -1.310 174.956 176.300 -0.056 0.000 1.074 24 D CA -0.236 53.734 54.000 -0.049 0.000 0.838 24 D CB 1.380 42.157 40.800 -0.039 0.000 1.067 24 D HN 0.475 nan 8.370 nan 0.000 0.511 25 L N 2.557 123.786 121.223 0.010 0.000 2.325 25 L HA 0.421 4.762 4.340 0.002 0.000 0.278 25 L C 0.190 177.077 176.870 0.029 0.000 1.023 25 L CA -0.486 54.337 54.840 -0.028 0.000 0.811 25 L CB 2.167 44.266 42.059 0.067 0.000 1.249 25 L HN 0.260 nan 8.230 nan 0.000 0.431 26 T N 2.339 116.823 114.554 -0.118 0.000 2.841 26 T HA 0.540 4.891 4.350 0.002 0.000 0.285 26 T C -0.844 173.752 174.700 -0.173 0.000 0.991 26 T CA -0.323 61.751 62.100 -0.043 0.000 0.966 26 T CB 0.711 69.529 68.868 -0.083 0.000 0.962 26 T HN 0.071 nan 8.240 nan 0.000 0.438 27 F N 2.183 122.147 119.950 0.024 0.000 2.402 27 F HA 0.338 4.866 4.527 0.002 0.000 0.355 27 F C 0.508 176.313 175.800 0.007 0.000 1.123 27 F CA -1.103 56.905 58.000 0.013 0.000 1.021 27 F CB 1.239 40.261 39.000 0.037 0.000 1.160 27 F HN 0.398 nan 8.300 nan 0.000 0.451 28 D N 5.163 125.636 120.400 0.122 0.000 2.441 28 D HA 0.239 4.880 4.640 0.002 0.000 0.221 28 D C -0.519 175.842 176.300 0.101 0.000 1.156 28 D CA -0.005 54.050 54.000 0.092 0.000 0.896 28 D CB 0.483 41.306 40.800 0.038 0.000 1.028 28 D HN 0.427 nan 8.370 nan 0.000 0.509 29 L N 3.112 124.393 121.223 0.097 0.000 2.305 29 L HA 0.360 4.701 4.340 0.002 0.000 0.281 29 L C 0.053 176.945 176.870 0.036 0.000 1.085 29 L CA -0.218 54.643 54.840 0.035 0.000 0.813 29 L CB 1.137 43.133 42.059 -0.106 0.000 1.157 29 L HN 0.374 nan 8.230 nan 0.000 0.436 30 D N 1.563 121.986 120.400 0.039 0.000 2.886 30 D HA 0.384 5.025 4.640 0.002 0.000 0.216 30 D C 0.314 176.657 176.300 0.071 0.000 1.256 30 D CA -0.247 53.803 54.000 0.085 0.000 0.844 30 D CB 1.701 42.554 40.800 0.087 0.000 1.669 30 D HN 0.443 nan 8.370 nan 0.000 0.513 31 A N 2.167 125.053 122.820 0.109 0.000 1.940 31 A HA -0.189 4.133 4.320 0.002 0.000 0.219 31 A C 1.750 179.370 177.584 0.060 0.000 1.176 31 A CA 1.391 53.479 52.037 0.086 0.000 0.631 31 A CB -0.336 18.729 19.000 0.108 0.000 0.814 31 A HN 0.610 nan 8.150 nan 0.000 0.446 32 Q N -0.943 118.892 119.800 0.058 0.000 2.096 32 Q HA 0.083 4.424 4.340 0.002 0.000 0.197 32 Q C 0.774 176.798 176.000 0.039 0.000 0.964 32 Q CA 1.263 57.092 55.803 0.043 0.000 0.838 32 Q CB 0.015 28.776 28.738 0.039 0.000 0.906 32 Q HN 0.697 nan 8.270 nan 0.000 0.444 33 K N 0.460 120.886 120.400 0.043 0.000 2.687 33 K HA 0.275 4.597 4.320 0.002 0.000 0.249 33 K C -1.442 175.182 176.600 0.041 0.000 0.994 33 K CA 0.042 56.351 56.287 0.036 0.000 0.913 33 K CB 1.332 33.850 32.500 0.030 0.000 1.202 33 K HN -0.186 nan 8.250 nan 0.000 0.460 34 T N 2.866 117.445 114.554 0.042 0.000 2.795 34 T HA 0.316 4.667 4.350 0.002 0.000 0.282 34 T C -0.547 174.165 174.700 0.020 0.000 0.980 34 T CA -0.511 61.622 62.100 0.056 0.000 1.012 34 T CB 1.295 70.226 68.868 0.105 0.000 0.936 34 T HN 0.253 nan 8.240 nan 0.000 0.457 35 V N 4.292 124.209 119.914 0.005 0.000 2.394 35 V HA 0.412 4.533 4.120 0.002 0.000 0.282 35 V C -0.018 176.003 176.094 -0.122 0.000 1.031 35 V CA -0.718 61.554 62.300 -0.047 0.000 0.881 35 V CB 1.463 33.267 31.823 -0.033 0.000 0.982 35 V HN 0.669 nan 8.190 nan 0.000 0.451 36 V N 3.957 123.748 119.914 -0.206 0.000 2.417 36 V HA 0.459 4.580 4.120 0.002 0.000 0.291 36 V C 0.243 176.161 176.094 -0.293 0.000 1.024 36 V CA -0.300 61.758 62.300 -0.402 0.000 0.861 36 V CB 1.865 33.383 31.823 -0.508 0.000 0.985 36 V HN 0.937 nan 8.190 nan 0.000 0.436 37 T N 4.295 118.671 114.554 -0.295 0.000 2.779 37 T HA 0.713 5.064 4.350 0.002 0.000 0.280 37 T C -0.065 174.505 174.700 -0.216 0.000 0.987 37 T CA -0.311 61.667 62.100 -0.204 0.000 0.966 37 T CB 1.470 70.244 68.868 -0.156 0.000 0.933 37 T HN 0.906 nan 8.240 nan 0.000 0.442 38 A N 3.179 125.903 122.820 -0.161 0.000 2.340 38 A HA 0.672 4.993 4.320 0.002 0.000 0.297 38 A C -0.547 176.989 177.584 -0.080 0.000 1.195 38 A CA -0.658 51.300 52.037 -0.132 0.000 0.769 38 A CB 0.815 19.747 19.000 -0.114 0.000 1.163 38 A HN 0.674 nan 8.150 nan 0.000 0.472 39 V N 2.699 122.564 119.914 -0.082 0.000 2.328 39 V HA 0.482 4.603 4.120 0.002 0.000 0.278 39 V C 0.116 176.170 176.094 -0.066 0.000 1.021 39 V CA -0.242 62.017 62.300 -0.067 0.000 0.838 39 V CB 0.895 32.675 31.823 -0.071 0.000 0.999 39 V HN 0.821 nan 8.190 nan 0.000 0.447 40 S N 4.447 120.116 115.700 -0.053 0.000 2.482 40 S HA 0.545 5.016 4.470 0.002 0.000 0.303 40 S C -0.725 173.804 174.600 -0.118 0.000 1.091 40 S CA -0.859 57.301 58.200 -0.066 0.000 1.057 40 S CB 1.788 64.981 63.200 -0.012 0.000 1.031 40 S HN 0.659 nan 8.310 nan 0.000 0.485 41 Q N 1.802 121.519 119.800 -0.138 0.000 2.331 41 Q HA 0.640 4.981 4.340 0.002 0.000 0.257 41 Q C -0.487 175.358 176.000 -0.258 0.000 0.957 41 Q CA -0.284 55.407 55.803 -0.187 0.000 0.923 41 Q CB 1.454 30.117 28.738 -0.124 0.000 1.212 41 Q HN 0.748 nan 8.270 nan 0.000 0.443 42 A N 2.120 124.648 122.820 -0.486 0.000 2.356 42 A HA 0.831 5.152 4.320 0.002 0.000 0.323 42 A C -0.754 176.537 177.584 -0.489 0.000 1.119 42 A CA -0.633 51.067 52.037 -0.561 0.000 0.790 42 A CB 1.479 19.948 19.000 -0.886 0.000 1.273 42 A HN 0.417 nan 8.150 nan 0.000 0.452 43 V N 1.895 121.703 119.914 -0.177 0.000 2.569 43 V HA 0.407 4.528 4.120 0.002 0.000 0.301 43 V C 0.047 176.163 176.094 0.036 0.000 1.044 43 V CA -0.635 61.617 62.300 -0.079 0.000 0.874 43 V CB 1.640 33.428 31.823 -0.058 0.000 1.002 43 V HN 0.952 nan 8.190 nan 0.000 0.424 44 R N 3.128 123.611 120.500 -0.028 0.000 2.248 44 R HA 0.316 4.657 4.340 0.002 0.000 0.328 44 R C 0.495 176.597 176.300 -0.330 0.000 1.067 44 R CA -0.237 55.675 56.100 -0.314 0.000 0.924 44 R CB 0.349 30.462 30.300 -0.312 0.000 1.013 44 R HN 0.834 nan 8.270 nan 0.000 0.454 45 H N 2.066 120.965 119.070 -0.283 0.000 2.582 45 H HA 0.087 4.644 4.556 0.002 0.000 0.269 45 H C 1.029 176.259 175.328 -0.162 0.000 0.962 45 H CA 0.564 56.516 56.048 -0.161 0.000 1.230 45 H CB 0.962 30.660 29.762 -0.105 0.000 1.445 45 H HN 0.692 nan 8.280 nan 0.000 0.528 46 G N 0.462 109.173 108.800 -0.148 0.000 2.531 46 G HA2 0.443 4.404 3.960 0.002 0.000 0.281 46 G HA3 0.443 4.404 3.960 0.002 0.000 0.281 46 G C -0.291 174.547 174.900 -0.103 0.000 1.382 46 G CA -0.033 44.999 45.100 -0.113 0.000 1.045 46 G HN 0.306 nan 8.290 nan 0.000 0.533 47 A N -0.620 122.166 122.820 -0.055 0.000 2.498 47 A HA 0.396 4.717 4.320 0.002 0.000 0.239 47 A C 1.721 179.291 177.584 -0.024 0.000 1.068 47 A CA 0.629 52.650 52.037 -0.027 0.000 0.766 47 A CB 0.175 19.174 19.000 -0.002 0.000 1.003 47 A HN 1.356 nan 8.150 nan 0.000 0.497 48 S N 0.847 116.542 115.700 -0.008 0.000 2.500 48 S HA -0.126 4.346 4.470 0.002 0.000 0.239 48 S C 0.760 175.389 174.600 0.048 0.000 0.989 48 S CA 1.116 59.325 58.200 0.014 0.000 0.951 48 S CB -0.219 62.990 63.200 0.015 0.000 0.759 48 S HN 0.855 nan 8.310 nan 0.000 0.523 49 D N 1.125 121.553 120.400 0.046 0.000 2.402 49 D HA 0.328 4.969 4.640 0.002 0.000 0.216 49 D C 0.320 176.672 176.300 0.086 0.000 1.128 49 D CA -0.210 53.828 54.000 0.063 0.000 0.833 49 D CB -0.059 40.767 40.800 0.043 0.000 0.971 49 D HN 0.394 nan 8.370 nan 0.000 0.503 50 A N 2.169 125.051 122.820 0.103 0.000 2.409 50 A HA 0.498 4.819 4.320 0.002 0.000 0.262 50 A C -2.231 175.512 177.584 0.264 0.000 1.113 50 A CA -1.004 51.123 52.037 0.149 0.000 0.790 50 A CB 0.311 19.379 19.000 0.114 0.000 1.046 50 A HN 0.117 nan 8.150 nan 0.000 0.496 51 P HA 0.235 nan 4.420 nan 0.000 0.279 51 P C -0.545 176.840 177.300 0.142 0.000 1.252 51 P CA -0.517 62.675 63.100 0.153 0.000 0.811 51 P CB 0.866 32.621 31.700 0.091 0.000 1.035 52 L N 2.666 123.790 121.223 -0.166 0.000 2.313 52 L HA 0.245 4.586 4.340 0.002 0.000 0.282 52 L C 0.441 177.233 176.870 -0.130 0.000 1.092 52 L CA -0.392 54.203 54.840 -0.409 0.000 0.831 52 L CB 0.082 41.726 42.059 -0.692 0.000 1.159 52 L HN 0.356 nan 8.230 nan 0.000 0.442 53 R N 6.434 126.914 120.500 -0.034 0.000 2.288 53 R HA 0.502 4.843 4.340 0.002 0.000 0.326 53 R C -1.191 175.117 176.300 0.014 0.000 0.959 53 R CA -0.648 55.458 56.100 0.009 0.000 0.834 53 R CB 1.367 31.700 30.300 0.054 0.000 1.157 53 R HN 0.570 nan 8.270 nan 0.000 0.470 54 L N 2.782 124.013 121.223 0.015 0.000 2.317 54 L HA 0.366 4.707 4.340 0.002 0.000 0.281 54 L C 0.138 177.122 176.870 0.191 0.000 1.024 54 L CA -1.059 53.831 54.840 0.083 0.000 0.810 54 L CB 1.264 43.370 42.059 0.078 0.000 1.240 54 L HN 0.456 nan 8.230 nan 0.000 0.427 55 N N 2.149 120.975 118.700 0.209 0.000 2.497 55 N HA 0.423 5.164 4.740 0.002 0.000 0.268 55 N C -0.093 175.540 175.510 0.206 0.000 1.171 55 N CA 0.031 53.205 53.050 0.206 0.000 0.948 55 N CB 1.707 40.306 38.487 0.186 0.000 1.069 55 N HN 0.816 nan 8.380 nan 0.000 0.460 56 G N 0.797 109.654 108.800 0.096 0.000 2.766 56 G HA2 0.348 4.309 3.960 0.002 0.000 0.297 56 G HA3 0.348 4.309 3.960 0.002 0.000 0.297 56 G C -1.278 173.455 174.900 -0.279 0.000 1.431 56 G CA -0.482 44.437 45.100 -0.302 0.000 1.042 56 G HN 0.274 nan 8.290 nan 0.000 0.542 57 E N 1.569 121.500 120.200 -0.448 0.000 2.234 57 E HA 0.370 4.721 4.350 0.002 0.000 0.266 57 E C -0.874 175.503 176.600 -0.372 0.000 0.877 57 E CA -0.602 55.525 56.400 -0.456 0.000 0.758 57 E CB 2.047 31.224 29.700 -0.871 0.000 1.170 57 E HN 0.534 nan 8.360 nan 0.000 0.415 58 D N 1.410 121.698 120.400 -0.186 0.000 2.689 58 D HA -0.194 4.447 4.640 0.002 0.000 0.237 58 D C -0.736 175.492 176.300 -0.121 0.000 1.148 58 D CA 0.882 54.826 54.000 -0.093 0.000 0.656 58 D CB -1.152 39.641 40.800 -0.011 0.000 1.050 58 D HN 0.305 nan 8.370 nan 0.000 0.426 59 L N -0.357 120.757 121.223 -0.182 0.000 2.329 59 L HA 0.391 4.732 4.340 0.002 0.000 0.279 59 L C 0.814 177.633 176.870 -0.085 0.000 1.014 59 L CA -0.873 53.838 54.840 -0.214 0.000 0.814 59 L CB 1.982 43.735 42.059 -0.511 0.000 1.257 59 L HN -0.151 nan 8.230 nan 0.000 0.424 60 K N 4.217 124.588 120.400 -0.049 0.000 2.266 60 K HA 0.358 4.679 4.320 0.002 0.000 0.274 60 K C -0.683 175.928 176.600 0.019 0.000 1.090 60 K CA -0.510 55.779 56.287 0.004 0.000 0.925 60 K CB 0.726 33.229 32.500 0.005 0.000 1.225 60 K HN 0.574 nan 8.250 nan 0.000 0.458 61 L N 5.354 126.616 121.223 0.066 0.000 2.455 61 L HA 0.010 4.351 4.340 0.002 0.000 0.272 61 L C 0.729 177.601 176.870 0.003 0.000 1.174 61 L CA -0.088 54.778 54.840 0.043 0.000 0.869 61 L CB 1.235 43.286 42.059 -0.012 0.000 1.130 61 L HN 0.615 nan 8.230 nan 0.000 0.474 62 V N 2.218 122.123 119.914 -0.015 0.000 2.806 62 V HA 0.107 4.228 4.120 0.002 0.000 0.239 62 V C 0.512 176.605 176.094 -0.002 0.000 1.113 62 V CA 0.909 63.209 62.300 0.001 0.000 1.137 62 V CB 0.789 32.613 31.823 0.002 0.000 0.865 62 V HN 0.894 nan 8.190 nan 0.000 0.482 63 S N -1.141 114.542 115.700 -0.028 0.000 2.565 63 S HA 0.733 5.204 4.470 0.002 0.000 0.269 63 S C -1.381 173.177 174.600 -0.069 0.000 1.153 63 S CA -0.635 57.560 58.200 -0.009 0.000 0.835 63 S CB 2.361 65.654 63.200 0.154 0.000 1.122 63 S HN 0.005 nan 8.310 nan 0.000 0.462 64 V N 2.672 122.507 119.914 -0.132 0.000 2.524 64 V HA 0.562 4.683 4.120 0.002 0.000 0.297 64 V C -1.003 175.017 176.094 -0.123 0.000 1.035 64 V CA -0.402 61.796 62.300 -0.170 0.000 0.867 64 V CB 1.295 32.841 31.823 -0.463 0.000 1.004 64 V HN 1.000 nan 8.190 nan 0.000 0.426 65 H N 5.034 124.088 119.070 -0.027 0.000 2.637 65 H HA 0.587 5.144 4.556 0.002 0.000 0.363 65 H C -1.315 173.973 175.328 -0.067 0.000 1.131 65 H CA -0.788 55.276 56.048 0.025 0.000 1.183 65 H CB 3.054 32.828 29.762 0.020 0.000 1.637 65 H HN 0.349 nan 8.280 nan 0.000 0.531 66 I N 2.936 123.513 120.570 0.012 0.000 2.410 66 I HA 0.045 4.216 4.170 0.002 0.000 0.286 66 I C 0.234 176.356 176.117 0.009 0.000 1.009 66 I CA -0.657 60.535 61.300 -0.180 0.000 1.111 66 I CB 0.868 38.356 38.000 -0.853 0.000 1.262 66 I HN 0.694 nan 8.210 nan 0.000 0.443 67 N N 5.238 123.971 118.700 0.056 0.000 2.740 67 N HA -0.210 4.531 4.740 0.002 0.000 0.248 67 N C 0.148 175.715 175.510 0.095 0.000 1.062 67 N CA 1.140 54.234 53.050 0.074 0.000 0.704 67 N CB -0.709 37.825 38.487 0.079 0.000 0.968 67 N HN 0.700 nan 8.380 nan 0.000 0.547 68 D N -2.317 118.151 120.400 0.114 0.000 2.946 68 D HA -0.226 4.415 4.640 0.002 0.000 0.202 68 D C 0.172 176.643 176.300 0.285 0.000 1.068 68 D CA 1.753 55.839 54.000 0.142 0.000 1.011 68 D CB -0.803 40.032 40.800 0.060 0.000 1.105 68 D HN 0.777 nan 8.370 nan 0.000 0.425 69 E N 1.333 121.693 120.200 0.267 0.000 2.167 69 E HA 0.412 4.763 4.350 0.002 0.000 0.284 69 E C -2.681 174.040 176.600 0.202 0.000 1.016 69 E CA -1.952 54.598 56.400 0.250 0.000 0.817 69 E CB 1.100 30.954 29.700 0.256 0.000 1.080 69 E HN -0.124 nan 8.360 nan 0.000 0.397 70 P HA -0.034 nan 4.420 nan 0.000 0.264 70 P C -1.070 176.264 177.300 0.057 0.000 1.193 70 P CA 0.102 63.032 63.100 -0.283 0.000 0.763 70 P CB 0.298 31.893 31.700 -0.175 0.000 0.810 71 W N 3.601 124.824 121.300 -0.128 0.000 2.433 71 W HA 0.197 4.858 4.660 0.002 0.000 0.315 71 W C 0.557 177.192 176.519 0.194 0.000 1.087 71 W CA -0.393 56.971 57.345 0.031 0.000 1.205 71 W CB 1.843 31.322 29.460 0.032 0.000 1.288 71 W HN 0.384 nan 8.180 nan 0.000 0.504 72 T N 0.863 115.207 114.554 -0.350 0.000 3.001 72 T HA 0.205 4.556 4.350 0.002 0.000 0.251 72 T C 0.710 175.126 174.700 -0.473 0.000 1.040 72 T CA 0.164 62.062 62.100 -0.336 0.000 0.985 72 T CB 0.397 69.056 68.868 -0.349 0.000 1.011 72 T HN 0.375 nan 8.240 nan 0.000 0.509 73 A N 2.627 125.089 122.820 -0.597 0.000 3.157 73 A HA 0.579 4.900 4.320 0.002 0.000 0.276 73 A C -0.086 177.600 177.584 0.171 0.000 1.524 73 A CA -1.125 50.744 52.037 -0.280 0.000 1.236 73 A CB -0.865 17.969 19.000 -0.276 0.000 1.173 73 A HN 0.702 nan 8.150 nan 0.000 0.595 74 W N 0.430 121.741 121.300 0.018 0.000 3.075 74 W HA 0.724 5.385 4.660 0.002 0.000 0.334 74 W C -1.338 175.168 176.519 -0.021 0.000 1.243 74 W CA -1.024 56.346 57.345 0.042 0.000 1.170 74 W CB 0.780 30.288 29.460 0.080 0.000 1.452 74 W HN 0.357 nan 8.180 nan 0.000 0.572 75 K N 0.416 121.015 120.400 0.332 0.000 2.546 75 K HA 0.494 4.815 4.320 0.002 0.000 0.264 75 K C -1.279 175.522 176.600 0.333 0.000 0.937 75 K CA -0.821 55.593 56.287 0.211 0.000 0.833 75 K CB 3.036 35.528 32.500 -0.014 0.000 1.378 75 K HN 0.449 nan 8.250 nan 0.000 0.432 76 E N 2.029 122.428 120.200 0.331 0.000 2.227 76 E HA 0.092 4.443 4.350 0.002 0.000 0.282 76 E C -0.594 176.082 176.600 0.127 0.000 1.015 76 E CA -0.506 56.012 56.400 0.197 0.000 0.823 76 E CB 1.277 31.115 29.700 0.229 0.000 1.081 76 E HN 0.589 nan 8.360 nan 0.000 0.396 77 E N 2.164 122.426 120.200 0.104 0.000 2.449 77 E HA 0.281 4.632 4.350 0.002 0.000 0.254 77 E C -0.586 176.069 176.600 0.092 0.000 0.907 77 E CA -0.972 55.480 56.400 0.085 0.000 0.840 77 E CB 0.442 30.182 29.700 0.066 0.000 1.459 77 E HN 0.152 nan 8.360 nan 0.000 0.407 78 E N 0.038 120.281 120.200 0.071 0.000 2.383 78 E HA 0.172 4.523 4.350 0.002 0.000 0.257 78 E C 0.659 177.303 176.600 0.074 0.000 1.079 78 E CA 1.480 57.918 56.400 0.063 0.000 0.934 78 E CB -0.379 29.348 29.700 0.045 0.000 0.978 78 E HN 0.790 nan 8.360 nan 0.000 0.462 79 G N 2.675 111.522 108.800 0.079 0.000 2.166 79 G HA2 -0.155 3.807 3.960 0.002 0.000 0.260 79 G HA3 -0.155 3.807 3.960 0.002 0.000 0.260 79 G C 0.204 175.191 174.900 0.145 0.000 0.986 79 G CA 0.420 45.568 45.100 0.080 0.000 0.683 79 G HN 1.045 nan 8.290 nan 0.000 0.527 80 A N -1.353 121.581 122.820 0.189 0.000 2.587 80 A HA 0.876 5.197 4.320 0.002 0.000 0.293 80 A C -1.228 176.415 177.584 0.099 0.000 1.087 80 A CA -0.353 51.795 52.037 0.184 0.000 0.692 80 A CB 1.861 20.926 19.000 0.108 0.000 1.291 80 A HN 1.560 nan 8.150 nan 0.000 0.407 81 L N 1.712 122.883 121.223 -0.086 0.000 2.342 81 L HA 0.687 5.028 4.340 0.002 0.000 0.276 81 L C -1.328 175.472 176.870 -0.117 0.000 0.997 81 L CA -0.373 54.273 54.840 -0.324 0.000 0.838 81 L CB 1.514 42.980 42.059 -0.988 0.000 1.224 81 L HN 0.426 nan 8.230 nan 0.000 0.416 82 V N 6.843 126.759 119.914 0.002 0.000 2.370 82 V HA 0.496 4.617 4.120 0.002 0.000 0.279 82 V C 0.117 176.266 176.094 0.091 0.000 1.029 82 V CA -0.298 62.023 62.300 0.037 0.000 0.870 82 V CB 1.291 33.149 31.823 0.059 0.000 0.984 82 V HN 0.602 nan 8.190 nan 0.000 0.451 83 I N 3.865 124.458 120.570 0.039 0.000 2.418 83 I HA 0.475 4.646 4.170 0.002 0.000 0.287 83 I C 0.162 176.326 176.117 0.078 0.000 1.008 83 I CA -0.006 61.351 61.300 0.095 0.000 1.104 83 I CB 1.966 39.915 38.000 -0.085 0.000 1.264 83 I HN 0.517 nan 8.210 nan 0.000 0.438 84 S N 4.298 120.132 115.700 0.223 0.000 2.681 84 S HA 0.414 4.885 4.470 0.002 0.000 0.299 84 S C 0.132 174.898 174.600 0.276 0.000 1.113 84 S CA -0.597 57.712 58.200 0.182 0.000 1.013 84 S CB 1.057 64.333 63.200 0.126 0.000 1.076 84 S HN 0.768 nan 8.310 nan 0.000 0.534 85 N N 0.429 119.240 118.700 0.186 0.000 2.756 85 N HA -0.142 4.600 4.740 0.002 0.000 0.248 85 N C -1.175 174.482 175.510 0.245 0.000 1.062 85 N CA 0.407 53.578 53.050 0.202 0.000 0.696 85 N CB -1.706 36.880 38.487 0.164 0.000 0.946 85 N HN 0.456 nan 8.380 nan 0.000 0.548 86 L N 0.260 121.518 121.223 0.058 0.000 2.360 86 L HA 0.558 4.899 4.340 0.002 0.000 0.271 86 L C -1.333 175.496 176.870 -0.067 0.000 1.057 86 L CA -1.616 53.092 54.840 -0.221 0.000 0.803 86 L CB 0.629 42.348 42.059 -0.566 0.000 1.207 86 L HN -0.064 nan 8.230 nan 0.000 0.445 87 P HA 0.029 nan 4.420 nan 0.000 0.282 87 P C 0.168 177.615 177.300 0.244 0.000 1.286 87 P CA -0.396 62.761 63.100 0.094 0.000 0.777 87 P CB 0.617 32.388 31.700 0.119 0.000 1.184 88 E N -0.529 119.785 120.200 0.191 0.000 2.107 88 E HA -0.085 4.266 4.350 0.002 0.000 0.191 88 E C 0.050 176.764 176.600 0.190 0.000 0.982 88 E CA 0.749 57.243 56.400 0.156 0.000 0.809 88 E CB 0.231 29.960 29.700 0.048 0.000 0.756 88 E HN 0.278 nan 8.360 nan 0.000 0.459 89 R N -0.301 120.318 120.500 0.198 0.000 2.575 89 R HA 0.423 4.764 4.340 0.002 0.000 0.293 89 R C -1.297 175.106 176.300 0.172 0.000 0.983 89 R CA -0.618 55.520 56.100 0.063 0.000 0.887 89 R CB 1.546 31.841 30.300 -0.008 0.000 1.184 89 R HN 0.005 nan 8.270 nan 0.000 0.445 90 F N -2.286 117.647 119.950 -0.028 0.000 2.741 90 F HA 0.464 4.992 4.527 0.002 0.000 0.311 90 F C -1.007 174.750 175.800 -0.071 0.000 1.149 90 F CA -1.125 56.837 58.000 -0.063 0.000 0.930 90 F CB 1.454 40.382 39.000 -0.120 0.000 1.312 90 F HN 0.119 nan 8.300 nan 0.000 0.450 91 T N 3.292 117.892 114.554 0.075 0.000 2.733 91 T HA 0.487 4.838 4.350 0.002 0.000 0.294 91 T C -0.788 173.969 174.700 0.095 0.000 0.956 91 T CA -0.283 61.822 62.100 0.008 0.000 0.987 91 T CB 0.888 69.757 68.868 0.001 0.000 0.920 91 T HN 0.691 nan 8.240 nan 0.000 0.470 92 L N 4.059 125.318 121.223 0.060 0.000 2.290 92 L HA 0.515 4.856 4.340 0.002 0.000 0.284 92 L C 0.039 176.910 176.870 0.002 0.000 1.078 92 L CA -0.070 54.803 54.840 0.055 0.000 0.815 92 L CB 0.487 42.580 42.059 0.057 0.000 1.162 92 L HN 0.474 nan 8.230 nan 0.000 0.435 93 K N 6.221 126.626 120.400 0.008 0.000 2.358 93 K HA 0.498 4.819 4.320 0.002 0.000 0.260 93 K C -1.432 175.169 176.600 0.001 0.000 0.956 93 K CA -0.680 55.602 56.287 -0.009 0.000 0.834 93 K CB 0.899 33.377 32.500 -0.037 0.000 1.102 93 K HN 0.576 nan 8.250 nan 0.000 0.431 94 I N 6.215 126.768 120.570 -0.028 0.000 2.377 94 I HA 0.363 4.534 4.170 0.002 0.000 0.293 94 I C -0.009 176.077 176.117 -0.052 0.000 0.987 94 I CA -0.819 60.460 61.300 -0.035 0.000 1.185 94 I CB 1.413 39.409 38.000 -0.007 0.000 1.341 94 I HN 0.623 nan 8.210 nan 0.000 0.455 95 I N 7.294 127.839 120.570 -0.041 0.000 2.404 95 I HA 0.377 4.549 4.170 0.002 0.000 0.293 95 I C -0.175 175.912 176.117 -0.051 0.000 0.992 95 I CA -0.467 60.798 61.300 -0.060 0.000 1.149 95 I CB 1.575 39.549 38.000 -0.043 0.000 1.315 95 I HN 0.635 nan 8.210 nan 0.000 0.446 96 N N 4.751 123.404 118.700 -0.077 0.000 2.494 96 N HA 0.417 5.158 4.740 0.002 0.000 0.270 96 N C -1.510 173.952 175.510 -0.080 0.000 1.285 96 N CA -0.883 52.128 53.050 -0.065 0.000 0.812 96 N CB 2.359 40.807 38.487 -0.066 0.000 1.557 96 N HN 0.468 nan 8.380 nan 0.000 0.487 97 E N 0.778 120.945 120.200 -0.055 0.000 2.195 97 E HA 0.587 4.938 4.350 0.002 0.000 0.271 97 E C -0.338 176.236 176.600 -0.043 0.000 0.923 97 E CA -0.836 55.539 56.400 -0.041 0.000 0.790 97 E CB 2.359 32.050 29.700 -0.016 0.000 1.155 97 E HN 0.557 nan 8.360 nan 0.000 0.402 98 I N -2.033 118.522 120.570 -0.024 0.000 3.239 98 I HA 0.655 4.826 4.170 0.002 0.000 0.314 98 I C -0.656 175.474 176.117 0.020 0.000 1.126 98 I CA -0.916 60.380 61.300 -0.007 0.000 0.973 98 I CB 2.342 40.341 38.000 -0.003 0.000 1.252 98 I HN 0.328 nan 8.210 nan 0.000 0.463 99 S N 2.087 117.805 115.700 0.031 0.000 2.539 99 S HA 0.499 4.970 4.470 0.002 0.000 0.235 99 S C -2.098 172.531 174.600 0.049 0.000 1.326 99 S CA -1.248 56.974 58.200 0.037 0.000 1.183 99 S CB 0.787 64.004 63.200 0.029 0.000 1.073 99 S HN 0.542 nan 8.310 nan 0.000 0.480 100 P HA -0.124 nan 4.420 nan 0.000 0.216 100 P C 1.485 178.824 177.300 0.065 0.000 1.154 100 P CA 1.571 64.712 63.100 0.069 0.000 0.865 100 P CB 0.151 31.878 31.700 0.046 0.000 0.789 101 A N -0.273 122.574 122.820 0.045 0.000 1.972 101 A HA -0.090 4.231 4.320 0.002 0.000 0.219 101 A C 2.175 179.771 177.584 0.020 0.000 1.169 101 A CA 1.929 53.984 52.037 0.029 0.000 0.635 101 A CB -1.431 17.584 19.000 0.025 0.000 0.810 101 A HN 0.230 nan 8.150 nan 0.000 0.446 102 A N -0.736 122.099 122.820 0.025 0.000 2.251 102 A HA 0.101 4.422 4.320 0.002 0.000 0.209 102 A C 0.993 178.586 177.584 0.014 0.000 1.187 102 A CA 0.121 52.168 52.037 0.017 0.000 0.823 102 A CB -0.381 18.631 19.000 0.019 0.000 0.846 102 A HN 0.368 nan 8.150 nan 0.000 0.486 103 N N 1.406 120.123 118.700 0.028 0.000 2.605 103 N HA 0.034 4.775 4.740 0.002 0.000 0.258 103 N C 1.180 176.668 175.510 -0.036 0.000 1.156 103 N CA 0.826 53.885 53.050 0.015 0.000 1.008 103 N CB 0.507 39.038 38.487 0.073 0.000 1.354 103 N HN 0.394 nan 8.380 nan 0.000 0.509 104 T N -0.983 113.538 114.554 -0.055 0.000 3.043 104 T HA 0.062 4.413 4.350 0.002 0.000 0.263 104 T C 1.639 176.259 174.700 -0.133 0.000 1.094 104 T CA 0.634 62.687 62.100 -0.079 0.000 1.127 104 T CB 0.045 68.884 68.868 -0.050 0.000 0.905 104 T HN 0.250 nan 8.240 nan 0.000 0.490 105 A N 1.824 124.555 122.820 -0.149 0.000 2.119 105 A HA 0.417 4.738 4.320 0.002 0.000 0.217 105 A C 1.405 178.801 177.584 -0.313 0.000 1.153 105 A CA 0.548 52.470 52.037 -0.192 0.000 0.692 105 A CB -0.768 18.135 19.000 -0.163 0.000 0.799 105 A HN 0.722 nan 8.150 nan 0.000 0.458 106 L N -1.215 119.748 121.223 -0.434 0.000 3.598 106 L HA -0.198 4.143 4.340 0.002 0.000 0.422 106 L C -0.166 176.344 176.870 -0.600 0.000 1.262 106 L CA 0.731 55.025 54.840 -0.909 0.000 0.889 106 L CB -2.371 39.087 42.059 -1.001 0.000 1.857 106 L HN 0.846 nan 8.230 nan 0.000 0.858 107 E N -0.499 119.501 120.200 -0.333 0.000 2.272 107 E HA 0.704 5.055 4.350 0.002 0.000 0.269 107 E C 0.595 177.117 176.600 -0.130 0.000 0.877 107 E CA -0.197 56.059 56.400 -0.240 0.000 0.755 107 E CB 2.640 32.105 29.700 -0.391 0.000 1.192 107 E HN 0.270 nan 8.360 nan 0.000 0.422 108 G N 1.799 110.628 108.800 0.049 0.000 2.498 108 G HA2 -0.246 3.715 3.960 0.002 0.000 0.251 108 G HA3 -0.246 3.715 3.960 0.002 0.000 0.251 108 G C -1.034 174.007 174.900 0.234 0.000 1.170 108 G CA -0.160 45.038 45.100 0.163 0.000 0.944 108 G HN 0.756 nan 8.290 nan 0.000 0.567 109 L N 2.008 123.345 121.223 0.190 0.000 2.275 109 L HA 0.804 5.145 4.340 0.002 0.000 0.288 109 L C 0.060 177.036 176.870 0.177 0.000 1.046 109 L CA -0.667 54.251 54.840 0.130 0.000 0.805 109 L CB 0.448 42.567 42.059 0.101 0.000 1.193 109 L HN 1.093 nan 8.230 nan 0.000 0.426 110 Y N 1.634 121.942 120.300 0.014 0.000 2.818 110 Y HA 0.638 5.189 4.550 0.002 0.000 0.322 110 Y C -1.020 174.880 175.900 -0.000 0.000 1.323 110 Y CA -1.248 56.853 58.100 0.002 0.000 1.090 110 Y CB 0.968 39.425 38.460 -0.004 0.000 1.328 110 Y HN 0.499 nan 8.280 nan 0.000 0.482 111 Q N 1.280 121.171 119.800 0.152 0.000 2.290 111 Q HA 0.426 4.768 4.340 0.002 0.000 0.259 111 Q C -1.185 174.842 176.000 0.046 0.000 0.941 111 Q CA -0.767 55.052 55.803 0.026 0.000 0.912 111 Q CB 1.927 30.664 28.738 -0.001 0.000 1.244 111 Q HN 0.660 nan 8.270 nan 0.000 0.441 112 S N 2.218 117.916 115.700 -0.004 0.000 2.577 112 S HA 0.543 5.014 4.470 0.002 0.000 0.294 112 S C 0.544 175.190 174.600 0.076 0.000 1.161 112 S CA 0.425 58.687 58.200 0.103 0.000 1.143 112 S CB 0.143 63.515 63.200 0.286 0.000 0.991 112 S HN 0.953 nan 8.310 nan 0.000 0.475 113 G N 4.962 113.682 108.800 -0.133 0.000 2.634 113 G HA2 -0.312 3.649 3.960 0.002 0.000 0.318 113 G HA3 -0.312 3.649 3.960 0.002 0.000 0.318 113 G C 0.390 175.277 174.900 -0.022 0.000 1.207 113 G CA 0.792 45.890 45.100 -0.003 0.000 0.987 113 G HN 0.634 nan 8.290 nan 0.000 0.547 114 D N 1.951 122.356 120.400 0.008 0.000 2.354 114 D HA 0.429 5.070 4.640 0.002 0.000 0.209 114 D C 1.541 177.870 176.300 0.048 0.000 1.015 114 D CA 0.873 54.867 54.000 -0.009 0.000 0.867 114 D CB 0.036 40.798 40.800 -0.064 0.000 0.933 114 D HN 0.769 nan 8.370 nan 0.000 0.520 115 A N 0.728 123.584 122.820 0.061 0.000 2.366 115 A HA 0.454 4.775 4.320 0.002 0.000 0.249 115 A C 0.038 177.683 177.584 0.102 0.000 1.084 115 A CA -0.120 51.994 52.037 0.129 0.000 0.794 115 A CB 0.397 19.508 19.000 0.184 0.000 1.034 115 A HN 0.136 nan 8.150 nan 0.000 0.491 116 L N 1.071 122.332 121.223 0.065 0.000 2.317 116 L HA 0.575 4.916 4.340 0.002 0.000 0.281 116 L C -0.037 176.721 176.870 -0.186 0.000 1.024 116 L CA -0.552 54.221 54.840 -0.111 0.000 0.810 116 L CB 1.293 43.229 42.059 -0.204 0.000 1.240 116 L HN 1.011 nan 8.230 nan 0.000 0.427 117 C N -0.297 118.787 119.300 -0.359 0.000 3.323 117 C HA 0.918 5.379 4.460 0.002 0.000 0.324 117 C C 0.104 174.807 174.990 -0.478 0.000 1.428 117 C CA -0.665 58.116 59.018 -0.394 0.000 1.368 117 C CB 1.566 29.106 27.740 -0.333 0.000 1.731 117 C HN 0.851 nan 8.230 nan 0.000 0.455 118 T N -0.693 113.705 114.554 -0.260 0.000 2.912 118 T HA 0.723 5.074 4.350 0.002 0.000 0.288 118 T C -1.011 173.794 174.700 0.176 0.000 1.030 118 T CA -0.156 61.923 62.100 -0.035 0.000 1.020 118 T CB 1.771 70.643 68.868 0.007 0.000 1.056 118 T HN 1.119 nan 8.240 nan 0.000 0.480 119 Q N 0.386 120.368 119.800 0.304 0.000 2.275 119 Q HA 0.517 4.858 4.340 0.002 0.000 0.266 119 Q C -0.669 175.433 176.000 0.171 0.000 1.002 119 Q CA -0.682 55.262 55.803 0.234 0.000 0.761 119 Q CB 0.921 29.747 28.738 0.147 0.000 1.255 119 Q HN 0.853 nan 8.270 nan 0.000 0.446 120 C N 2.539 121.957 119.300 0.197 0.000 3.019 120 C HA 0.316 4.778 4.460 0.002 0.000 0.295 120 C C 0.690 175.815 174.990 0.225 0.000 1.256 120 C CA -0.184 58.996 59.018 0.270 0.000 1.706 120 C CB -0.072 27.918 27.740 0.418 0.000 2.153 120 C HN 0.821 nan 8.230 nan 0.000 0.618 121 E N 0.866 121.152 120.200 0.143 0.000 2.301 121 E HA 0.451 4.802 4.350 0.002 0.000 0.275 121 E C 0.787 177.218 176.600 -0.281 0.000 1.030 121 E CA 0.084 56.486 56.400 0.002 0.000 0.852 121 E CB 1.241 30.968 29.700 0.046 0.000 1.060 121 E HN 0.332 nan 8.360 nan 0.000 0.401 122 A N 4.492 127.035 122.820 -0.462 0.000 1.874 122 A HA -0.061 4.260 4.320 0.002 0.000 0.214 122 A C 0.849 178.324 177.584 -0.183 0.000 1.189 122 A CA 0.994 52.612 52.037 -0.698 0.000 0.615 122 A CB 0.051 18.350 19.000 -1.168 0.000 0.830 122 A HN 0.743 nan 8.150 nan 0.000 0.443 123 E N -0.940 119.225 120.200 -0.059 0.000 3.646 123 E HA 0.299 4.650 4.350 0.002 0.000 0.211 123 E C 0.722 177.472 176.600 0.249 0.000 1.034 123 E CA 0.136 56.634 56.400 0.162 0.000 1.341 123 E CB 0.647 30.429 29.700 0.137 0.000 1.202 123 E HN 0.464 nan 8.360 nan 0.000 0.447 124 G N 0.041 108.989 108.800 0.247 0.000 2.719 124 G HA2 -0.132 3.830 3.960 0.002 0.000 0.211 124 G HA3 -0.132 3.830 3.960 0.002 0.000 0.211 124 G C 1.043 176.158 174.900 0.358 0.000 1.140 124 G CA -0.207 45.038 45.100 0.242 0.000 0.790 124 G HN 0.312 nan 8.290 nan 0.000 0.529 125 F N 2.777 122.873 119.950 0.244 0.000 2.234 125 F HA -0.006 4.522 4.527 0.002 0.000 0.299 125 F C 2.758 178.652 175.800 0.157 0.000 1.087 125 F CA 1.356 59.477 58.000 0.203 0.000 1.340 125 F CB 0.159 39.271 39.000 0.185 0.000 1.031 125 F HN 0.174 nan 8.300 nan 0.000 0.500 126 R N -0.681 119.978 120.500 0.265 0.000 2.285 126 R HA -0.135 4.206 4.340 0.002 0.000 0.213 126 R C 1.184 177.378 176.300 -0.175 0.000 1.068 126 R CA 1.561 57.693 56.100 0.052 0.000 1.004 126 R CB -1.293 29.064 30.300 0.094 0.000 0.873 126 R HN 0.430 nan 8.270 nan 0.000 0.467 127 H N 0.008 119.033 119.070 -0.075 0.000 2.547 127 H HA 0.145 4.702 4.556 0.002 0.000 0.266 127 H C 1.436 176.668 175.328 -0.158 0.000 0.988 127 H CA 0.791 56.778 56.048 -0.102 0.000 1.147 127 H CB 0.369 30.114 29.762 -0.029 0.000 1.365 127 H HN 0.314 nan 8.280 nan 0.000 0.589 128 I N -0.993 119.457 120.570 -0.200 0.000 3.300 128 I HA 0.010 4.181 4.170 0.002 0.000 0.279 128 I C 0.789 176.665 176.117 -0.401 0.000 1.172 128 I CA 0.450 61.586 61.300 -0.274 0.000 1.431 128 I CB 0.996 38.770 38.000 -0.377 0.000 1.240 128 I HN -0.055 nan 8.210 nan 0.000 0.453 129 T N -1.527 112.712 114.554 -0.525 0.000 2.769 129 T HA 0.377 4.728 4.350 0.002 0.000 0.306 129 T C -1.817 172.736 174.700 -0.245 0.000 1.400 129 T CA -0.421 61.445 62.100 -0.389 0.000 1.007 129 T CB 0.812 69.466 68.868 -0.357 0.000 1.392 129 T HN -0.135 nan 8.240 nan 0.000 0.500 130 Y N 2.251 122.516 120.300 -0.058 0.000 2.436 130 Y HA 0.559 5.110 4.550 0.002 0.000 0.336 130 Y C -0.201 175.802 175.900 0.172 0.000 1.049 130 Y CA 0.300 58.412 58.100 0.021 0.000 1.294 130 Y CB 0.305 38.740 38.460 -0.041 0.000 1.179 130 Y HN 0.551 nan 8.280 nan 0.000 0.520 131 Y N 1.462 121.891 120.300 0.215 0.000 2.670 131 Y HA 0.426 4.977 4.550 0.002 0.000 0.334 131 Y C -1.180 174.839 175.900 0.197 0.000 1.185 131 Y CA -1.758 56.477 58.100 0.225 0.000 1.053 131 Y CB 1.257 39.972 38.460 0.425 0.000 1.298 131 Y HN 0.359 nan 8.280 nan 0.000 0.459 132 L N 3.640 124.559 121.223 -0.506 0.000 2.382 132 L HA 0.127 4.468 4.340 0.002 0.000 0.259 132 L C -0.221 176.705 176.870 0.092 0.000 1.291 132 L CA 0.292 54.986 54.840 -0.243 0.000 1.176 132 L CB -0.469 41.378 42.059 -0.352 0.000 1.373 132 L HN 0.471 nan 8.230 nan 0.000 0.426 133 D N 4.466 125.054 120.400 0.314 0.000 2.688 133 D HA 0.102 4.743 4.640 0.002 0.000 0.228 133 D C 0.055 176.576 176.300 0.369 0.000 1.116 133 D CA -0.171 54.102 54.000 0.454 0.000 1.023 133 D CB 0.112 41.186 40.800 0.457 0.000 1.100 133 D HN 0.456 nan 8.370 nan 0.000 0.487 134 R N 0.761 121.444 120.500 0.304 0.000 2.535 134 R HA 0.393 4.734 4.340 0.002 0.000 0.274 134 R C -2.571 173.811 176.300 0.137 0.000 1.090 134 R CA -1.358 54.871 56.100 0.215 0.000 0.930 134 R CB 1.288 31.681 30.300 0.154 0.000 1.223 134 R HN -0.203 nan 8.270 nan 0.000 0.441 135 P HA -0.104 nan 4.420 nan 0.000 0.237 135 P C -0.146 177.146 177.300 -0.012 0.000 1.178 135 P CA 0.817 63.894 63.100 -0.038 0.000 0.766 135 P CB 0.205 31.635 31.700 -0.450 0.000 0.876 136 D N -0.626 119.776 120.400 0.004 0.000 2.340 136 D HA -0.004 4.637 4.640 0.002 0.000 0.220 136 D C 0.391 176.717 176.300 0.043 0.000 1.039 136 D CA -0.096 53.925 54.000 0.034 0.000 0.866 136 D CB -0.582 40.274 40.800 0.093 0.000 0.913 136 D HN -0.003 nan 8.370 nan 0.000 0.523 137 V N 1.627 121.577 119.914 0.060 0.000 2.333 137 V HA 0.214 4.336 4.120 0.002 0.000 0.274 137 V C -0.656 175.505 176.094 0.111 0.000 1.028 137 V CA -0.709 61.624 62.300 0.055 0.000 0.851 137 V CB 1.164 32.999 31.823 0.019 0.000 1.000 137 V HN 0.039 nan 8.190 nan 0.000 0.456 138 L N 5.288 126.565 121.223 0.091 0.000 2.298 138 L HA 0.837 5.178 4.340 0.002 0.000 0.284 138 L C 0.255 177.204 176.870 0.132 0.000 1.013 138 L CA -0.464 54.448 54.840 0.119 0.000 0.824 138 L CB 1.169 43.276 42.059 0.078 0.000 1.221 138 L HN 0.705 nan 8.230 nan 0.000 0.418 139 A N 3.831 126.778 122.820 0.212 0.000 2.401 139 A HA 0.824 5.145 4.320 0.002 0.000 0.310 139 A C -0.328 177.388 177.584 0.220 0.000 1.075 139 A CA -0.819 51.298 52.037 0.135 0.000 0.746 139 A CB 1.234 20.249 19.000 0.025 0.000 1.277 139 A HN 0.618 nan 8.150 nan 0.000 0.425 140 R N 0.810 121.380 120.500 0.116 0.000 2.296 140 R HA 0.345 4.686 4.340 0.002 0.000 0.323 140 R C -1.459 174.922 176.300 0.135 0.000 1.067 140 R CA 0.219 56.415 56.100 0.159 0.000 0.946 140 R CB 0.189 30.530 30.300 0.068 0.000 0.991 140 R HN 0.516 nan 8.270 nan 0.000 0.448 141 F N 1.273 121.252 119.950 0.049 0.000 2.394 141 F HA 0.219 4.747 4.527 0.002 0.000 0.340 141 F C 1.120 176.987 175.800 0.113 0.000 1.105 141 F CA -0.291 57.755 58.000 0.076 0.000 1.124 141 F CB 1.718 40.787 39.000 0.115 0.000 1.145 141 F HN 0.379 nan 8.300 nan 0.000 0.505 142 T N -0.353 114.344 114.554 0.240 0.000 2.861 142 T HA 0.717 5.068 4.350 0.002 0.000 0.287 142 T C -0.702 174.174 174.700 0.294 0.000 1.003 142 T CA -0.613 61.636 62.100 0.249 0.000 0.977 142 T CB 1.495 70.455 68.868 0.153 0.000 0.996 142 T HN 0.484 nan 8.240 nan 0.000 0.448 143 T N 3.237 118.018 114.554 0.380 0.000 2.906 143 T HA 0.458 4.809 4.350 0.002 0.000 0.302 143 T C -0.726 174.235 174.700 0.435 0.000 1.002 143 T CA -0.790 61.582 62.100 0.453 0.000 0.988 143 T CB 1.280 70.500 68.868 0.586 0.000 0.972 143 T HN 0.807 nan 8.240 nan 0.000 0.447 144 K N 4.202 124.812 120.400 0.350 0.000 2.213 144 K HA 0.645 4.966 4.320 0.002 0.000 0.270 144 K C -0.963 175.845 176.600 0.347 0.000 1.002 144 K CA -0.689 55.786 56.287 0.312 0.000 0.868 144 K CB 0.626 33.205 32.500 0.131 0.000 1.093 144 K HN 0.551 nan 8.250 nan 0.000 0.454 145 I N 6.059 126.837 120.570 0.346 0.000 2.406 145 I HA 0.376 4.547 4.170 0.002 0.000 0.290 145 I C -0.506 175.747 176.117 0.228 0.000 0.999 145 I CA -0.920 60.540 61.300 0.267 0.000 1.124 145 I CB 1.654 39.759 38.000 0.175 0.000 1.289 145 I HN 0.481 nan 8.210 nan 0.000 0.441 146 I N 5.550 126.231 120.570 0.186 0.000 2.436 146 I HA 0.808 4.979 4.170 0.002 0.000 0.289 146 I C -0.153 176.052 176.117 0.147 0.000 1.010 146 I CA -0.358 61.050 61.300 0.180 0.000 1.098 146 I CB 1.847 39.933 38.000 0.143 0.000 1.266 146 I HN 0.700 nan 8.210 nan 0.000 0.434 147 A N 3.778 126.711 122.820 0.189 0.000 2.609 147 A HA 0.462 4.783 4.320 0.002 0.000 0.291 147 A C -1.419 176.396 177.584 0.384 0.000 1.096 147 A CA -0.699 51.488 52.037 0.250 0.000 0.684 147 A CB 1.435 20.542 19.000 0.178 0.000 1.282 147 A HN 0.726 nan 8.150 nan 0.000 0.412 148 D N 0.562 121.192 120.400 0.382 0.000 2.472 148 D HA 0.087 4.728 4.640 0.002 0.000 0.248 148 D C 1.095 177.544 176.300 0.249 0.000 1.174 148 D CA 0.602 54.764 54.000 0.270 0.000 0.883 148 D CB 0.688 41.594 40.800 0.176 0.000 1.149 148 D HN 0.511 nan 8.370 nan 0.000 0.488 149 K N 3.312 123.761 120.400 0.081 0.000 2.097 149 K HA -0.105 4.216 4.320 0.002 0.000 0.205 149 K C 1.688 178.182 176.600 -0.177 0.000 1.050 149 K CA 0.848 56.991 56.287 -0.240 0.000 0.938 149 K CB 0.046 32.270 32.500 -0.460 0.000 0.718 149 K HN 0.601 nan 8.250 nan 0.000 0.442 150 I N 0.648 121.146 120.570 -0.120 0.000 2.286 150 I HA -0.228 3.943 4.170 0.002 0.000 0.245 150 I C 2.406 178.423 176.117 -0.168 0.000 1.104 150 I CA 1.064 62.287 61.300 -0.129 0.000 1.397 150 I CB -0.017 37.923 38.000 -0.100 0.000 1.072 150 I HN 0.111 nan 8.210 nan 0.000 0.417 151 K N 0.258 120.511 120.400 -0.244 0.000 2.076 151 K HA -0.077 4.244 4.320 0.002 0.000 0.204 151 K C -0.197 176.017 176.600 -0.643 0.000 1.051 151 K CA 1.120 57.094 56.287 -0.522 0.000 0.949 151 K CB 0.194 32.252 32.500 -0.737 0.000 0.726 151 K HN 0.182 nan 8.250 nan 0.000 0.443 152 Y N 0.076 120.410 120.300 0.057 0.000 2.837 152 Y HA 0.279 4.830 4.550 0.002 0.000 0.356 152 Y C -2.146 173.870 175.900 0.193 0.000 1.035 152 Y CA -2.659 55.514 58.100 0.122 0.000 1.165 152 Y CB 1.171 39.720 38.460 0.149 0.000 1.147 152 Y HN 0.116 nan 8.280 nan 0.000 0.628 153 P HA -0.109 nan 4.420 nan 0.000 0.219 153 P C -0.229 177.074 177.300 0.005 0.000 1.150 153 P CA 1.137 64.219 63.100 -0.031 0.000 0.814 153 P CB 0.257 31.814 31.700 -0.237 0.000 0.787 154 F N 0.273 120.424 119.950 0.334 0.000 2.404 154 F HA 0.358 4.886 4.527 0.002 0.000 0.354 154 F C 0.612 176.571 175.800 0.265 0.000 1.122 154 F CA -0.700 57.502 58.000 0.338 0.000 1.080 154 F CB 0.821 40.078 39.000 0.428 0.000 1.131 154 F HN -0.340 nan 8.300 nan 0.000 0.471 155 L N 5.930 127.369 121.223 0.361 0.000 2.345 155 L HA 0.543 4.884 4.340 0.002 0.000 0.274 155 L C -0.960 176.071 176.870 0.269 0.000 0.999 155 L CA -0.400 54.574 54.840 0.224 0.000 0.849 155 L CB 1.230 43.372 42.059 0.139 0.000 1.220 155 L HN 0.520 nan 8.230 nan 0.000 0.422 156 L N 2.069 123.211 121.223 -0.134 0.000 2.346 156 L HA 0.756 5.097 4.340 0.002 0.000 0.274 156 L C -0.037 176.191 176.870 -1.071 0.000 1.007 156 L CA -0.287 54.137 54.840 -0.694 0.000 0.818 156 L CB 2.113 43.741 42.059 -0.719 0.000 1.284 156 L HN 0.562 nan 8.230 nan 0.000 0.424 157 S N 0.731 115.255 115.700 -1.960 0.000 2.739 157 S HA 0.467 4.938 4.470 0.002 0.000 0.285 157 S C -1.080 172.927 174.600 -0.987 0.000 1.181 157 S CA -0.815 56.682 58.200 -1.173 0.000 0.827 157 S CB 1.461 64.286 63.200 -0.626 0.000 1.178 157 S HN 0.713 nan 8.310 nan 0.000 0.498 158 N N 1.019 119.413 118.700 -0.511 0.000 2.407 158 N HA 0.479 5.220 4.740 0.002 0.000 0.250 158 N C 0.758 176.279 175.510 0.018 0.000 1.236 158 N CA 1.370 54.259 53.050 -0.268 0.000 0.879 158 N CB 0.331 38.691 38.487 -0.211 0.000 1.088 158 N HN 1.061 nan 8.380 nan 0.000 0.450 159 G N 1.300 110.156 108.800 0.094 0.000 2.545 159 G HA2 -0.241 3.720 3.960 0.002 0.000 0.240 159 G HA3 -0.241 3.720 3.960 0.002 0.000 0.240 159 G C -0.985 174.173 174.900 0.431 0.000 1.172 159 G CA -0.597 44.650 45.100 0.243 0.000 0.949 159 G HN 0.617 nan 8.290 nan 0.000 0.574 160 N N 0.741 119.672 118.700 0.386 0.000 2.321 160 N HA 0.489 5.230 4.740 0.002 0.000 0.299 160 N C -0.012 175.476 175.510 -0.037 0.000 1.048 160 N CA -0.612 52.571 53.050 0.222 0.000 0.836 160 N CB 2.042 40.592 38.487 0.104 0.000 1.269 160 N HN 0.711 nan 8.380 nan 0.000 0.486 161 R N 1.209 121.401 120.500 -0.513 0.000 2.449 161 R HA 0.112 4.453 4.340 0.002 0.000 0.296 161 R C 0.906 176.984 176.300 -0.370 0.000 1.047 161 R CA 0.036 55.606 56.100 -0.883 0.000 1.018 161 R CB 0.294 30.007 30.300 -0.978 0.000 0.962 161 R HN 0.506 nan 8.270 nan 0.000 0.428 162 V N 0.873 120.621 119.914 -0.277 0.000 3.432 162 V HA 0.583 4.704 4.120 0.002 0.000 0.298 162 V C 0.002 176.049 176.094 -0.079 0.000 1.464 162 V CA 0.497 62.727 62.300 -0.117 0.000 1.046 162 V CB 0.235 32.041 31.823 -0.028 0.000 0.887 162 V HN 0.712 nan 8.190 nan 0.000 0.441 163 A N 0.911 123.657 122.820 -0.124 0.000 2.590 163 A HA 0.761 5.083 4.320 0.002 0.000 0.294 163 A C -1.378 176.017 177.584 -0.314 0.000 1.046 163 A CA -0.210 51.785 52.037 -0.071 0.000 0.684 163 A CB 1.398 20.537 19.000 0.231 0.000 1.279 163 A HN 0.823 nan 8.150 nan 0.000 0.415 164 Q N 0.814 120.211 119.800 -0.671 0.000 2.503 164 Q HA 0.648 4.989 4.340 0.002 0.000 0.268 164 Q C -0.470 174.729 176.000 -1.335 0.000 0.982 164 Q CA -0.518 54.636 55.803 -1.082 0.000 0.907 164 Q CB 1.602 30.016 28.738 -0.540 0.000 1.467 164 Q HN 1.997 nan 8.270 nan 0.000 0.394 165 G N 1.129 108.790 108.800 -1.897 0.000 2.684 165 G HA2 0.571 4.532 3.960 0.002 0.000 0.290 165 G HA3 0.571 4.532 3.960 0.002 0.000 0.290 165 G C -1.367 173.241 174.900 -0.488 0.000 1.425 165 G CA -0.624 43.905 45.100 -0.952 0.000 0.822 165 G HN 0.485 nan 8.290 nan 0.000 0.482 166 E N -0.442 119.711 120.200 -0.078 0.000 2.222 166 E HA 0.680 5.031 4.350 0.002 0.000 0.267 166 E C -0.641 176.070 176.600 0.185 0.000 0.963 166 E CA -0.571 55.872 56.400 0.073 0.000 0.837 166 E CB 2.566 32.286 29.700 0.034 0.000 1.183 166 E HN 0.303 nan 8.360 nan 0.000 0.403 167 L N 0.241 121.580 121.223 0.193 0.000 2.277 167 L HA 0.366 4.707 4.340 0.002 0.000 0.254 167 L C 0.337 177.276 176.870 0.115 0.000 1.044 167 L CA -1.027 53.921 54.840 0.180 0.000 0.842 167 L CB 1.456 43.647 42.059 0.220 0.000 1.422 167 L HN 0.373 nan 8.230 nan 0.000 0.422 168 E N 0.577 120.832 120.200 0.092 0.000 2.425 168 E HA 0.011 4.362 4.350 0.002 0.000 0.258 168 E C -0.314 176.327 176.600 0.067 0.000 1.151 168 E CA 0.093 56.533 56.400 0.066 0.000 0.958 168 E CB 0.079 29.811 29.700 0.054 0.000 0.968 168 E HN 0.498 nan 8.360 nan 0.000 0.451 169 N N 0.416 119.146 118.700 0.050 0.000 2.747 169 N HA -0.206 4.535 4.740 0.002 0.000 0.249 169 N C 0.460 176.001 175.510 0.051 0.000 1.107 169 N CA 0.951 54.028 53.050 0.046 0.000 0.707 169 N CB -1.381 37.135 38.487 0.048 0.000 1.054 169 N HN 0.923 nan 8.380 nan 0.000 0.555 170 G N -0.492 108.336 108.800 0.045 0.000 2.153 170 G HA2 -0.374 3.587 3.960 0.002 0.000 0.252 170 G HA3 -0.374 3.587 3.960 0.002 0.000 0.252 170 G C 0.225 175.165 174.900 0.067 0.000 0.994 170 G CA 0.885 46.004 45.100 0.032 0.000 0.698 170 G HN 0.588 nan 8.290 nan 0.000 0.521 171 R N -0.214 120.358 120.500 0.119 0.000 2.500 171 R HA 0.701 5.042 4.340 0.002 0.000 0.277 171 R C 0.670 177.143 176.300 0.288 0.000 1.026 171 R CA -0.040 56.185 56.100 0.209 0.000 1.058 171 R CB 0.746 31.164 30.300 0.197 0.000 1.078 171 R HN 0.814 nan 8.270 nan 0.000 0.509 172 H N -1.260 117.897 119.070 0.144 0.000 2.943 172 H HA 0.632 5.189 4.556 0.002 0.000 0.323 172 H C -1.413 174.064 175.328 0.249 0.000 1.296 172 H CA -1.224 54.900 56.048 0.127 0.000 1.155 172 H CB 1.644 31.407 29.762 0.002 0.000 1.882 172 H HN 0.677 nan 8.280 nan 0.000 0.553 173 W N 0.075 121.297 121.300 -0.130 0.000 3.118 173 W HA 0.652 5.313 4.660 0.002 0.000 0.328 173 W C -2.539 173.894 176.519 -0.143 0.000 1.239 173 W CA -1.178 56.072 57.345 -0.158 0.000 1.176 173 W CB 0.858 30.303 29.460 -0.026 0.000 1.433 173 W HN 0.541 nan 8.180 nan 0.000 0.562 174 V N 1.678 121.689 119.914 0.161 0.000 2.808 174 V HA 0.334 4.455 4.120 0.002 0.000 0.308 174 V C -0.674 175.586 176.094 0.275 0.000 1.099 174 V CA -0.664 61.650 62.300 0.024 0.000 0.920 174 V CB 1.879 33.696 31.823 -0.010 0.000 1.014 174 V HN 0.628 nan 8.190 nan 0.000 0.425 175 Q N 2.008 121.902 119.800 0.156 0.000 2.312 175 Q HA 0.548 4.889 4.340 0.002 0.000 0.263 175 Q C -1.992 173.968 176.000 -0.067 0.000 0.995 175 Q CA -0.528 55.406 55.803 0.219 0.000 0.853 175 Q CB 1.982 30.905 28.738 0.309 0.000 1.300 175 Q HN 0.697 nan 8.270 nan 0.000 0.448 176 W N 1.759 123.145 121.300 0.144 0.000 2.706 176 W HA 0.469 5.130 4.660 0.002 0.000 0.346 176 W C -0.623 175.969 176.519 0.121 0.000 1.071 176 W CA -0.495 56.915 57.345 0.108 0.000 1.206 176 W CB 1.788 31.297 29.460 0.082 0.000 1.413 176 W HN 0.506 nan 8.180 nan 0.000 0.542 177 Q N 2.145 122.135 119.800 0.316 0.000 2.305 177 Q HA 0.250 4.591 4.340 0.002 0.000 0.271 177 Q C -1.834 174.294 176.000 0.213 0.000 1.046 177 Q CA -0.592 55.349 55.803 0.230 0.000 0.798 177 Q CB 2.067 30.885 28.738 0.133 0.000 1.286 177 Q HN 0.396 nan 8.270 nan 0.000 0.435 178 D N 5.329 125.850 120.400 0.202 0.000 2.440 178 D HA 0.297 4.938 4.640 0.002 0.000 0.239 178 D C -1.796 174.570 176.300 0.111 0.000 1.084 178 D CA -2.176 51.922 54.000 0.163 0.000 0.843 178 D CB 1.807 42.697 40.800 0.149 0.000 1.097 178 D HN 0.359 nan 8.370 nan 0.000 0.531 179 P HA -0.008 nan 4.420 nan 0.000 0.226 179 P C 0.152 177.311 177.300 -0.234 0.000 1.153 179 P CA 0.176 63.186 63.100 -0.150 0.000 0.777 179 P CB 0.071 31.584 31.700 -0.311 0.000 0.794 180 F N 2.006 121.946 119.950 -0.017 0.000 2.438 180 F HA 0.319 4.847 4.527 0.002 0.000 0.356 180 F C -1.721 174.077 175.800 -0.004 0.000 1.099 180 F CA -2.566 55.408 58.000 -0.044 0.000 1.185 180 F CB -0.230 38.703 39.000 -0.112 0.000 1.115 180 F HN -0.202 nan 8.300 nan 0.000 0.526 181 P HA 0.072 nan 4.420 nan 0.000 0.265 181 P C -1.148 176.227 177.300 0.124 0.000 1.193 181 P CA -0.120 63.070 63.100 0.150 0.000 0.765 181 P CB 0.405 32.169 31.700 0.106 0.000 0.823 182 K N 3.120 123.603 120.400 0.138 0.000 2.502 182 K HA 0.625 4.946 4.320 0.002 0.000 0.257 182 K C -3.163 173.473 176.600 0.061 0.000 0.938 182 K CA -2.478 53.810 56.287 0.002 0.000 0.819 182 K CB 2.040 34.434 32.500 -0.175 0.000 1.333 182 K HN 0.084 nan 8.250 nan 0.000 0.434 183 P HA 0.005 nan 4.420 nan 0.000 0.274 183 P C 0.969 178.217 177.300 -0.086 0.000 1.231 183 P CA -0.553 62.574 63.100 0.045 0.000 0.790 183 P CB 0.780 32.526 31.700 0.078 0.000 0.951 184 C N 0.349 119.680 119.300 0.051 0.000 2.456 184 C HA -0.077 4.384 4.460 0.002 0.000 0.279 184 C C 2.588 177.514 174.990 -0.107 0.000 1.427 184 C CA 0.144 59.002 59.018 -0.267 0.000 1.778 184 C CB -2.626 24.708 27.740 -0.677 0.000 1.842 184 C HN 0.634 nan 8.230 nan 0.000 0.531 185 Y N 0.917 121.289 120.300 0.121 0.000 2.569 185 Y HA 0.172 4.723 4.550 0.002 0.000 0.293 185 Y C 1.752 177.710 175.900 0.096 0.000 1.144 185 Y CA 0.768 58.993 58.100 0.209 0.000 1.321 185 Y CB -0.777 37.936 38.460 0.423 0.000 0.982 185 Y HN 0.290 nan 8.280 nan 0.000 0.558 186 L N -0.362 120.569 121.223 -0.488 0.000 2.607 186 L HA 0.156 4.497 4.340 0.002 0.000 0.228 186 L C 0.285 176.940 176.870 -0.358 0.000 1.123 186 L CA -0.465 54.087 54.840 -0.481 0.000 0.890 186 L CB -0.118 41.566 42.059 -0.626 0.000 1.103 186 L HN 0.212 nan 8.230 nan 0.000 0.468 187 F N 1.720 121.392 119.950 -0.462 0.000 2.484 187 F HA 0.444 4.972 4.527 0.002 0.000 0.360 187 F C 0.352 176.041 175.800 -0.186 0.000 1.101 187 F CA -0.660 57.082 58.000 -0.430 0.000 1.251 187 F CB 0.494 39.249 39.000 -0.407 0.000 1.132 187 F HN -0.116 nan 8.300 nan 0.000 0.570 188 A N 7.153 129.168 122.820 -1.342 0.000 2.515 188 A HA 0.749 5.070 4.320 0.002 0.000 0.298 188 A C -2.044 174.726 177.584 -1.356 0.000 1.059 188 A CA -0.772 50.633 52.037 -1.054 0.000 0.698 188 A CB 1.525 20.165 19.000 -0.600 0.000 1.289 188 A HN 1.010 nan 8.150 nan 0.000 0.404 189 L N 1.895 122.594 121.223 -0.873 0.000 2.431 189 L HA 0.851 5.193 4.340 0.002 0.000 0.266 189 L C -1.819 174.762 176.870 -0.482 0.000 0.978 189 L CA -0.656 53.778 54.840 -0.677 0.000 0.822 189 L CB 2.145 43.834 42.059 -0.615 0.000 1.310 189 L HN 0.544 nan 8.230 nan 0.000 0.409 190 V N 3.478 123.134 119.914 -0.431 0.000 2.686 190 V HA 0.877 4.998 4.120 0.002 0.000 0.306 190 V C -0.558 175.444 176.094 -0.153 0.000 1.065 190 V CA -0.298 61.825 62.300 -0.294 0.000 0.894 190 V CB 1.796 33.395 31.823 -0.374 0.000 1.004 190 V HN 0.880 nan 8.190 nan 0.000 0.424 191 A N 2.858 125.662 122.820 -0.027 0.000 2.374 191 A HA 1.051 5.372 4.320 0.002 0.000 0.305 191 A C 0.001 177.815 177.584 0.384 0.000 1.053 191 A CA 0.150 52.245 52.037 0.098 0.000 0.726 191 A CB 1.832 20.657 19.000 -0.290 0.000 1.229 191 A HN 1.725 nan 8.150 nan 0.000 0.431 192 G N 0.369 109.472 108.800 0.506 0.000 2.325 192 G HA2 0.457 4.418 3.960 0.002 0.000 0.295 192 G HA3 0.457 4.418 3.960 0.002 0.000 0.295 192 G C -2.250 172.586 174.900 -0.107 0.000 1.274 192 G CA -0.159 45.011 45.100 0.117 0.000 0.857 192 G HN 0.821 nan 8.290 nan 0.000 0.499 193 D N -0.419 119.642 120.400 -0.565 0.000 2.481 193 D HA 0.710 5.351 4.640 0.002 0.000 0.246 193 D C -1.070 174.912 176.300 -0.530 0.000 1.109 193 D CA -0.299 53.580 54.000 -0.201 0.000 0.845 193 D CB 0.809 41.543 40.800 -0.109 0.000 1.160 193 D HN 0.222 nan 8.370 nan 0.000 0.534 194 F N 0.966 121.040 119.950 0.208 0.000 2.593 194 F HA 0.393 4.921 4.527 0.002 0.000 0.320 194 F C 0.510 176.279 175.800 -0.051 0.000 1.060 194 F CA -1.096 56.900 58.000 -0.008 0.000 0.940 194 F CB 1.351 40.296 39.000 -0.091 0.000 1.268 194 F HN 0.068 nan 8.300 nan 0.000 0.475 195 D N 1.023 121.501 120.400 0.131 0.000 2.302 195 D HA 0.488 5.129 4.640 0.002 0.000 0.248 195 D C -0.825 175.406 176.300 -0.115 0.000 1.094 195 D CA 0.147 54.162 54.000 0.025 0.000 0.897 195 D CB 1.874 42.687 40.800 0.022 0.000 1.200 195 D HN 0.131 nan 8.370 nan 0.000 0.429 196 V N 3.141 122.931 119.914 -0.206 0.000 2.443 196 V HA 0.194 4.315 4.120 0.002 0.000 0.293 196 V C -0.216 175.722 176.094 -0.260 0.000 1.021 196 V CA -0.936 61.112 62.300 -0.419 0.000 0.848 196 V CB 1.672 33.126 31.823 -0.614 0.000 0.998 196 V HN 0.313 nan 8.190 nan 0.000 0.424 197 L N 6.567 127.639 121.223 -0.252 0.000 2.319 197 L HA 0.549 4.890 4.340 0.002 0.000 0.280 197 L C 0.204 176.967 176.870 -0.178 0.000 1.099 197 L CA 0.512 55.252 54.840 -0.166 0.000 0.828 197 L CB 0.413 42.394 42.059 -0.130 0.000 1.150 197 L HN 0.618 nan 8.230 nan 0.000 0.442 198 R N 3.826 124.257 120.500 -0.115 0.000 2.670 198 R HA 0.658 4.999 4.340 0.002 0.000 0.289 198 R C -1.191 175.079 176.300 -0.049 0.000 0.965 198 R CA -0.848 55.202 56.100 -0.084 0.000 0.899 198 R CB 1.902 32.169 30.300 -0.055 0.000 1.173 198 R HN 0.606 nan 8.270 nan 0.000 0.456 199 D N -0.435 119.945 120.400 -0.033 0.000 2.838 199 D HA 0.332 4.973 4.640 0.002 0.000 0.334 199 D C -1.468 174.838 176.300 0.010 0.000 1.315 199 D CA -0.155 53.836 54.000 -0.015 0.000 0.917 199 D CB 2.513 43.297 40.800 -0.028 0.000 1.435 199 D HN 0.380 nan 8.370 nan 0.000 0.517 200 T N -0.077 114.494 114.554 0.028 0.000 2.956 200 T HA 0.581 4.932 4.350 0.002 0.000 0.312 200 T C -1.861 172.898 174.700 0.099 0.000 1.151 200 T CA -0.541 61.594 62.100 0.059 0.000 1.024 200 T CB 0.429 69.322 68.868 0.041 0.000 1.140 200 T HN 0.212 nan 8.240 nan 0.000 0.473 201 F N 3.027 122.957 119.950 -0.032 0.000 2.495 201 F HA 0.673 5.201 4.527 0.002 0.000 0.327 201 F C -0.160 175.646 175.800 0.010 0.000 1.103 201 F CA -0.377 57.600 58.000 -0.038 0.000 0.949 201 F CB 2.150 41.092 39.000 -0.098 0.000 1.142 201 F HN 0.539 nan 8.300 nan 0.000 0.457 202 T N 3.994 118.193 114.554 -0.591 0.000 2.758 202 T HA 0.316 4.667 4.350 0.002 0.000 0.285 202 T C 0.100 174.485 174.700 -0.525 0.000 0.981 202 T CA -0.577 61.306 62.100 -0.362 0.000 0.965 202 T CB 0.783 69.507 68.868 -0.239 0.000 0.927 202 T HN 0.751 nan 8.240 nan 0.000 0.448 203 T N 0.854 115.363 114.554 -0.075 0.000 2.813 203 T HA 0.205 4.556 4.350 0.002 0.000 0.297 203 T C 1.486 176.203 174.700 0.028 0.000 1.036 203 T CA -0.749 61.426 62.100 0.125 0.000 1.044 203 T CB 0.802 69.839 68.868 0.282 0.000 0.993 203 T HN 0.586 nan 8.240 nan 0.000 0.535 204 R N 0.536 121.089 120.500 0.089 0.000 2.170 204 R HA -0.124 4.217 4.340 0.002 0.000 0.242 204 R C 2.048 178.369 176.300 0.035 0.000 1.145 204 R CA 1.895 58.024 56.100 0.048 0.000 0.984 204 R CB -0.635 29.710 30.300 0.074 0.000 0.869 204 R HN 0.840 nan 8.270 nan 0.000 0.455 205 S N -2.046 113.688 115.700 0.056 0.000 2.556 205 S HA 0.198 4.669 4.470 0.002 0.000 0.216 205 S C 1.011 175.635 174.600 0.039 0.000 0.970 205 S CA 0.295 58.523 58.200 0.047 0.000 0.912 205 S CB 0.993 64.230 63.200 0.061 0.000 0.790 205 S HN 0.528 nan 8.310 nan 0.000 0.504 206 G N 1.571 110.389 108.800 0.030 0.000 2.163 206 G HA2 -0.249 3.712 3.960 0.002 0.000 0.213 206 G HA3 -0.249 3.712 3.960 0.002 0.000 0.213 206 G C 0.013 174.933 174.900 0.034 0.000 0.991 206 G CA -0.145 44.963 45.100 0.014 0.000 0.653 206 G HN 0.741 nan 8.290 nan 0.000 0.518 207 R N 1.047 121.589 120.500 0.071 0.000 2.442 207 R HA 0.448 4.789 4.340 0.002 0.000 0.291 207 R C -0.202 176.162 176.300 0.107 0.000 1.069 207 R CA -0.108 56.053 56.100 0.100 0.000 1.022 207 R CB 0.398 30.783 30.300 0.142 0.000 0.976 207 R HN 0.351 nan 8.270 nan 0.000 0.443 208 E N 3.882 124.141 120.200 0.099 0.000 2.134 208 E HA 0.236 4.587 4.350 0.002 0.000 0.278 208 E C -1.362 175.328 176.600 0.150 0.000 0.959 208 E CA -0.773 55.682 56.400 0.092 0.000 0.783 208 E CB 1.490 31.224 29.700 0.057 0.000 1.095 208 E HN 0.363 nan 8.360 nan 0.000 0.399 209 V N 3.481 123.508 119.914 0.189 0.000 2.409 209 V HA 0.441 4.562 4.120 0.002 0.000 0.291 209 V C 0.064 176.263 176.094 0.176 0.000 1.020 209 V CA -0.891 61.555 62.300 0.244 0.000 0.848 209 V CB 1.285 33.312 31.823 0.341 0.000 0.990 209 V HN 0.815 nan 8.190 nan 0.000 0.430 210 A N 6.727 129.646 122.820 0.165 0.000 2.404 210 A HA 0.654 4.975 4.320 0.002 0.000 0.273 210 A C -0.301 177.355 177.584 0.121 0.000 1.144 210 A CA -0.122 51.988 52.037 0.123 0.000 0.806 210 A CB -0.093 18.981 19.000 0.124 0.000 1.080 210 A HN 0.825 nan 8.150 nan 0.000 0.509 211 L N 2.900 124.161 121.223 0.062 0.000 2.282 211 L HA 0.484 4.825 4.340 0.002 0.000 0.288 211 L C -0.029 176.832 176.870 -0.014 0.000 1.033 211 L CA -0.113 54.739 54.840 0.020 0.000 0.807 211 L CB 1.229 43.254 42.059 -0.055 0.000 1.209 211 L HN 0.735 nan 8.230 nan 0.000 0.423 212 E N 3.823 124.016 120.200 -0.012 0.000 2.260 212 E HA 0.409 4.760 4.350 0.002 0.000 0.266 212 E C -1.505 174.985 176.600 -0.183 0.000 0.887 212 E CA -0.806 55.516 56.400 -0.129 0.000 0.777 212 E CB 3.048 32.714 29.700 -0.057 0.000 1.205 212 E HN 0.196 nan 8.360 nan 0.000 0.414 213 L N 4.066 125.097 121.223 -0.321 0.000 2.294 213 L HA 0.387 4.728 4.340 0.002 0.000 0.283 213 L C -1.722 174.906 176.870 -0.404 0.000 1.015 213 L CA -0.679 53.997 54.840 -0.273 0.000 0.831 213 L CB 0.189 42.116 42.059 -0.220 0.000 1.217 213 L HN 0.452 nan 8.230 nan 0.000 0.420 214 Y N 4.906 125.011 120.300 -0.324 0.000 2.350 214 Y HA 0.574 5.125 4.550 0.002 0.000 0.340 214 Y C 0.458 176.194 175.900 -0.273 0.000 1.006 214 Y CA -0.489 57.354 58.100 -0.428 0.000 1.166 214 Y CB 1.413 39.334 38.460 -0.898 0.000 1.168 214 Y HN 0.496 nan 8.280 nan 0.000 0.502 215 V N -0.666 119.271 119.914 0.039 0.000 3.001 215 V HA 0.555 4.676 4.120 0.002 0.000 0.314 215 V C -0.462 175.798 176.094 0.277 0.000 1.099 215 V CA -1.268 61.103 62.300 0.117 0.000 0.989 215 V CB 1.928 33.764 31.823 0.022 0.000 1.040 215 V HN 0.497 nan 8.190 nan 0.000 0.434 216 D N 2.076 122.608 120.400 0.221 0.000 2.449 216 D HA 0.141 4.783 4.640 0.002 0.000 0.236 216 D C 0.448 176.799 176.300 0.085 0.000 1.149 216 D CA 0.274 54.360 54.000 0.144 0.000 0.878 216 D CB 0.392 41.248 40.800 0.094 0.000 1.198 216 D HN 0.463 nan 8.370 nan 0.000 0.446 217 R N 0.898 121.423 120.500 0.042 0.000 2.537 217 R HA 0.241 4.582 4.340 0.002 0.000 0.281 217 R C 1.266 177.581 176.300 0.026 0.000 0.988 217 R CA 0.818 56.938 56.100 0.032 0.000 1.077 217 R CB -0.066 30.241 30.300 0.013 0.000 0.932 217 R HN 0.799 nan 8.270 nan 0.000 0.409 218 G N 2.722 111.536 108.800 0.023 0.000 2.195 218 G HA2 -0.295 3.666 3.960 0.002 0.000 0.224 218 G HA3 -0.295 3.666 3.960 0.002 0.000 0.224 218 G C 0.537 175.447 174.900 0.017 0.000 0.990 218 G CA 0.238 45.348 45.100 0.016 0.000 0.639 218 G HN 0.667 nan 8.290 nan 0.000 0.514 219 N N -0.236 118.477 118.700 0.021 0.000 2.203 219 N HA 0.309 5.050 4.740 0.002 0.000 0.207 219 N C 1.681 177.195 175.510 0.007 0.000 1.130 219 N CA -0.416 52.644 53.050 0.016 0.000 0.861 219 N CB 0.227 38.727 38.487 0.021 0.000 1.005 219 N HN 0.182 nan 8.380 nan 0.000 0.507 220 L N 1.930 123.155 121.223 0.003 0.000 2.129 220 L HA -0.216 4.125 4.340 0.002 0.000 0.212 220 L C 1.853 178.724 176.870 0.002 0.000 1.087 220 L CA 1.704 56.539 54.840 -0.008 0.000 0.757 220 L CB -0.537 41.517 42.059 -0.009 0.000 0.896 220 L HN 0.372 nan 8.230 nan 0.000 0.434 221 D N -1.429 118.978 120.400 0.011 0.000 2.350 221 D HA -0.201 4.440 4.640 0.002 0.000 0.216 221 D C 1.746 178.064 176.300 0.031 0.000 0.968 221 D CA 0.832 54.845 54.000 0.022 0.000 0.894 221 D CB -0.207 40.607 40.800 0.022 0.000 0.909 221 D HN 0.323 nan 8.370 nan 0.000 0.520 222 R N -0.563 119.949 120.500 0.021 0.000 2.472 222 R HA 0.441 4.782 4.340 0.002 0.000 0.279 222 R C 1.526 177.841 176.300 0.025 0.000 0.953 222 R CA 0.390 56.502 56.100 0.021 0.000 1.088 222 R CB 0.781 31.077 30.300 -0.006 0.000 1.197 222 R HN 0.170 nan 8.270 nan 0.000 0.536 223 A N 1.398 124.227 122.820 0.016 0.000 1.997 223 A HA 0.164 4.485 4.320 0.002 0.000 0.212 223 A C -0.825 176.764 177.584 0.008 0.000 1.178 223 A CA 0.292 52.323 52.037 -0.009 0.000 0.698 223 A CB -0.539 18.432 19.000 -0.049 0.000 0.842 223 A HN 0.039 nan 8.150 nan 0.000 0.458 224 P HA -0.223 nan 4.420 nan 0.000 0.216 224 P C 1.545 178.915 177.300 0.118 0.000 1.150 224 P CA 1.261 64.401 63.100 0.066 0.000 0.843 224 P CB -0.254 31.505 31.700 0.098 0.000 0.787 225 W N 0.695 122.016 121.300 0.034 0.000 2.358 225 W HA -0.194 4.467 4.660 0.002 0.000 0.303 225 W C 1.969 178.500 176.519 0.020 0.000 1.208 225 W CA 1.564 58.954 57.345 0.075 0.000 1.274 225 W CB -0.565 29.012 29.460 0.196 0.000 1.138 225 W HN -0.081 nan 8.180 nan 0.000 0.515 226 A N 0.803 123.505 122.820 -0.197 0.000 1.933 226 A HA -0.268 4.053 4.320 0.002 0.000 0.218 226 A C 1.864 179.236 177.584 -0.353 0.000 1.175 226 A CA 2.151 53.996 52.037 -0.321 0.000 0.628 226 A CB -0.954 17.927 19.000 -0.199 0.000 0.814 226 A HN 0.397 nan 8.150 nan 0.000 0.444 227 M N 0.026 119.478 119.600 -0.246 0.000 2.099 227 M HA -0.087 4.394 4.480 0.002 0.000 0.262 227 M C 2.008 178.154 176.300 -0.258 0.000 1.067 227 M CA 2.517 57.680 55.300 -0.228 0.000 1.124 227 M CB -1.044 31.472 32.600 -0.140 0.000 1.353 227 M HN 0.355 nan 8.290 nan 0.000 0.410 228 T N -0.081 114.323 114.554 -0.249 0.000 2.684 228 T HA -0.131 4.220 4.350 0.002 0.000 0.267 228 T C 1.912 176.380 174.700 -0.387 0.000 1.036 228 T CA 1.935 63.885 62.100 -0.251 0.000 1.148 228 T CB -0.561 68.214 68.868 -0.155 0.000 0.863 228 T HN 0.448 nan 8.240 nan 0.000 0.436 229 S N 1.218 116.535 115.700 -0.638 0.000 2.382 229 S HA -0.032 4.439 4.470 0.002 0.000 0.228 229 S C 1.925 176.296 174.600 -0.381 0.000 1.027 229 S CA 0.609 58.481 58.200 -0.546 0.000 0.991 229 S CB -0.494 62.295 63.200 -0.685 0.000 0.823 229 S HN 0.258 nan 8.310 nan 0.000 0.469 230 L N 2.152 123.105 121.223 -0.450 0.000 2.012 230 L HA -0.105 4.236 4.340 0.002 0.000 0.210 230 L C 1.947 178.421 176.870 -0.660 0.000 1.073 230 L CA 1.853 56.345 54.840 -0.580 0.000 0.748 230 L CB -0.605 41.109 42.059 -0.575 0.000 0.891 230 L HN 0.138 nan 8.230 nan 0.000 0.431 231 K N -0.661 119.463 120.400 -0.459 0.000 2.057 231 K HA -0.142 4.179 4.320 0.002 0.000 0.207 231 K C 1.907 178.334 176.600 -0.288 0.000 1.049 231 K CA 1.390 57.445 56.287 -0.387 0.000 0.931 231 K CB -0.419 32.057 32.500 -0.040 0.000 0.714 231 K HN 0.369 nan 8.250 nan 0.000 0.440 232 N N 0.864 119.481 118.700 -0.137 0.000 2.104 232 N HA -0.127 4.614 4.740 0.002 0.000 0.190 232 N C 1.827 177.405 175.510 0.112 0.000 1.024 232 N CA 1.364 54.462 53.050 0.079 0.000 0.853 232 N CB -0.368 38.212 38.487 0.156 0.000 1.008 232 N HN 0.056 nan 8.380 nan 0.000 0.424 233 S N 0.868 116.425 115.700 -0.238 0.000 2.368 233 S HA 0.025 4.496 4.470 0.002 0.000 0.224 233 S C 2.028 176.448 174.600 -0.301 0.000 1.029 233 S CA 0.860 58.731 58.200 -0.548 0.000 0.988 233 S CB -0.085 62.576 63.200 -0.898 0.000 0.838 233 S HN 0.319 nan 8.310 nan 0.000 0.462 234 M N 0.878 119.999 119.600 -0.798 0.000 2.132 234 M HA -0.080 4.401 4.480 0.002 0.000 0.263 234 M C 2.232 178.370 176.300 -0.270 0.000 1.065 234 M CA 1.240 56.019 55.300 -0.869 0.000 1.122 234 M CB -0.353 31.225 32.600 -1.704 0.000 1.365 234 M HN 0.063 nan 8.290 nan 0.000 0.411 235 K N 0.113 120.430 120.400 -0.138 0.000 2.026 235 K HA -0.210 4.112 4.320 0.002 0.000 0.208 235 K C 1.637 178.404 176.600 0.279 0.000 1.048 235 K CA 1.728 58.172 56.287 0.260 0.000 0.929 235 K CB -0.607 32.082 32.500 0.315 0.000 0.713 235 K HN 0.448 nan 8.250 nan 0.000 0.439 236 W N 1.372 122.766 121.300 0.156 0.000 2.358 236 W HA -0.163 4.499 4.660 0.002 0.000 0.303 236 W C 1.629 178.257 176.519 0.182 0.000 1.208 236 W CA 1.938 59.411 57.345 0.214 0.000 1.274 236 W CB -0.412 29.280 29.460 0.386 0.000 1.138 236 W HN 0.212 nan 8.180 nan 0.000 0.515 237 D N 0.044 120.647 120.400 0.340 0.000 2.178 237 D HA -0.178 4.464 4.640 0.002 0.000 0.202 237 D C 1.880 178.183 176.300 0.005 0.000 0.974 237 D CA 1.525 55.597 54.000 0.120 0.000 0.841 237 D CB -0.164 40.930 40.800 0.491 0.000 0.953 237 D HN 0.356 nan 8.370 nan 0.000 0.478 238 E N 0.198 120.451 120.200 0.088 0.000 2.031 238 E HA -0.168 4.183 4.350 0.002 0.000 0.193 238 E C 2.098 178.677 176.600 -0.035 0.000 0.994 238 E CA 0.945 57.381 56.400 0.061 0.000 0.800 238 E CB -0.047 29.745 29.700 0.153 0.000 0.752 238 E HN 0.440 nan 8.360 nan 0.000 0.447 239 E N 0.320 120.481 120.200 -0.065 0.000 2.051 239 E HA -0.222 4.129 4.350 0.002 0.000 0.192 239 E C 2.219 178.658 176.600 -0.268 0.000 0.991 239 E CA 1.053 57.377 56.400 -0.126 0.000 0.799 239 E CB -0.049 29.610 29.700 -0.067 0.000 0.748 239 E HN -0.043 nan 8.360 nan 0.000 0.449 240 R N -0.174 120.007 120.500 -0.531 0.000 2.090 240 R HA 0.022 4.363 4.340 0.002 0.000 0.219 240 R C 1.326 177.288 176.300 -0.564 0.000 1.100 240 R CA 1.141 56.852 56.100 -0.648 0.000 0.991 240 R CB -0.025 29.559 30.300 -1.193 0.000 0.893 240 R HN 0.098 nan 8.270 nan 0.000 0.443 241 F N -1.079 118.619 119.950 -0.421 0.000 2.706 241 F HA 0.353 4.881 4.527 0.002 0.000 0.308 241 F C 1.141 176.838 175.800 -0.171 0.000 1.095 241 F CA 0.408 58.276 58.000 -0.219 0.000 1.244 241 F CB 1.213 40.093 39.000 -0.199 0.000 1.063 241 F HN 0.264 nan 8.300 nan 0.000 0.582 242 G N 1.863 110.628 108.800 -0.059 0.000 2.221 242 G HA2 -0.293 3.668 3.960 0.002 0.000 0.265 242 G HA3 -0.293 3.668 3.960 0.002 0.000 0.265 242 G C -0.205 174.620 174.900 -0.126 0.000 1.041 242 G CA -0.061 44.996 45.100 -0.072 0.000 0.807 242 G HN 0.273 nan 8.290 nan 0.000 0.502 243 L N -0.106 121.045 121.223 -0.120 0.000 2.322 243 L HA 0.599 4.940 4.340 0.002 0.000 0.281 243 L C 0.344 177.242 176.870 0.047 0.000 1.014 243 L CA -0.774 53.893 54.840 -0.289 0.000 0.815 243 L CB 1.592 43.360 42.059 -0.484 0.000 1.247 243 L HN 0.192 nan 8.230 nan 0.000 0.421 244 E N 1.363 121.662 120.200 0.164 0.000 2.221 244 E HA 0.268 4.619 4.350 0.002 0.000 0.268 244 E C -1.339 175.601 176.600 0.567 0.000 0.933 244 E CA -0.910 55.709 56.400 0.366 0.000 0.809 244 E CB 2.433 32.302 29.700 0.282 0.000 1.190 244 E HN 0.302 nan 8.360 nan 0.000 0.406 245 Y N 2.492 123.036 120.300 0.407 0.000 2.550 245 Y HA -0.055 4.496 4.550 0.002 0.000 0.343 245 Y C 0.802 176.851 175.900 0.248 0.000 1.245 245 Y CA 0.323 58.627 58.100 0.339 0.000 1.462 245 Y CB 0.598 39.279 38.460 0.367 0.000 1.340 245 Y HN 0.532 nan 8.280 nan 0.000 0.604 246 D N 2.635 122.693 120.400 -0.571 0.000 2.469 246 D HA 0.150 4.791 4.640 0.002 0.000 0.213 246 D C -0.346 175.790 176.300 -0.274 0.000 1.135 246 D CA 0.264 54.081 54.000 -0.305 0.000 0.834 246 D CB -0.115 40.448 40.800 -0.395 0.000 1.009 246 D HN 0.416 nan 8.370 nan 0.000 0.507 247 L N -0.507 120.326 121.223 -0.649 0.000 2.183 247 L HA 0.411 4.752 4.340 0.002 0.000 0.253 247 L C 0.053 176.985 176.870 0.103 0.000 1.048 247 L CA -0.785 53.939 54.840 -0.194 0.000 0.890 247 L CB 1.768 43.751 42.059 -0.127 0.000 1.476 247 L HN -0.347 nan 8.230 nan 0.000 0.455 248 D N -0.659 119.867 120.400 0.211 0.000 2.388 248 D HA 0.274 4.915 4.640 0.002 0.000 0.208 248 D C -0.242 176.238 176.300 0.301 0.000 1.035 248 D CA 0.498 54.643 54.000 0.242 0.000 0.875 248 D CB 0.729 41.625 40.800 0.160 0.000 0.984 248 D HN 0.124 nan 8.370 nan 0.000 0.508 249 I N 0.014 120.793 120.570 0.348 0.000 2.569 249 I HA 0.356 4.527 4.170 0.002 0.000 0.296 249 I C -1.435 174.908 176.117 0.377 0.000 1.028 249 I CA -1.204 60.288 61.300 0.319 0.000 1.082 249 I CB 1.972 40.134 38.000 0.270 0.000 1.264 249 I HN -0.152 nan 8.210 nan 0.000 0.429 250 Y N 6.044 126.408 120.300 0.106 0.000 2.332 250 Y HA 0.580 5.131 4.550 0.002 0.000 0.326 250 Y C -0.732 175.143 175.900 -0.041 0.000 0.978 250 Y CA -0.631 57.441 58.100 -0.046 0.000 1.205 250 Y CB 1.541 39.802 38.460 -0.332 0.000 1.131 250 Y HN 0.475 nan 8.280 nan 0.000 0.462 251 M N 6.896 126.418 119.600 -0.130 0.000 2.436 251 M HA 0.566 5.047 4.480 0.002 0.000 0.331 251 M C -1.237 174.975 176.300 -0.147 0.000 1.135 251 M CA -0.526 54.748 55.300 -0.044 0.000 0.987 251 M CB 2.010 34.563 32.600 -0.078 0.000 1.687 251 M HN 0.470 nan 8.290 nan 0.000 0.445 252 I N 2.184 122.709 120.570 -0.074 0.000 2.582 252 I HA 0.534 4.705 4.170 0.002 0.000 0.292 252 I C -1.063 174.962 176.117 -0.154 0.000 1.066 252 I CA -1.044 60.152 61.300 -0.173 0.000 1.053 252 I CB 2.396 40.203 38.000 -0.323 0.000 1.241 252 I HN 0.313 nan 8.210 nan 0.000 0.421 253 V N 4.735 124.524 119.914 -0.209 0.000 2.444 253 V HA 0.550 4.671 4.120 0.002 0.000 0.294 253 V C 0.211 176.199 176.094 -0.176 0.000 1.022 253 V CA -0.678 61.462 62.300 -0.266 0.000 0.850 253 V CB 1.632 33.191 31.823 -0.440 0.000 0.992 253 V HN 0.817 nan 8.190 nan 0.000 0.426 254 A N 5.329 128.075 122.820 -0.122 0.000 2.310 254 A HA 0.708 5.029 4.320 0.002 0.000 0.300 254 A C -0.113 177.467 177.584 -0.007 0.000 1.269 254 A CA -0.349 51.662 52.037 -0.044 0.000 0.909 254 A CB 0.452 19.439 19.000 -0.021 0.000 1.144 254 A HN 1.297 nan 8.150 nan 0.000 0.540 255 V N 0.490 120.381 119.914 -0.039 0.000 2.581 255 V HA 0.500 4.621 4.120 0.002 0.000 0.303 255 V C 0.114 176.255 176.094 0.078 0.000 1.041 255 V CA -0.656 61.674 62.300 0.050 0.000 0.907 255 V CB 1.764 33.610 31.823 0.038 0.000 0.994 255 V HN 0.666 nan 8.190 nan 0.000 0.442 256 D N 2.206 122.688 120.400 0.137 0.000 2.194 256 D HA 0.106 4.747 4.640 0.002 0.000 0.204 256 D C 0.171 176.388 176.300 -0.139 0.000 0.964 256 D CA 1.595 55.578 54.000 -0.028 0.000 0.846 256 D CB -0.018 40.716 40.800 -0.111 0.000 0.962 256 D HN 0.626 nan 8.370 nan 0.000 0.490 257 F N 0.335 120.397 119.950 0.187 0.000 2.308 257 F HA 0.374 4.902 4.527 0.002 0.000 0.370 257 F C -0.359 175.691 175.800 0.417 0.000 1.100 257 F CA -0.853 57.287 58.000 0.233 0.000 1.108 257 F CB 0.709 39.850 39.000 0.235 0.000 1.293 257 F HN -0.330 nan 8.300 nan 0.000 0.478 258 F N 2.653 122.704 119.950 0.168 0.000 2.635 258 F HA 0.329 4.857 4.527 0.002 0.000 0.314 258 F C 0.376 176.177 175.800 0.002 0.000 1.119 258 F CA -1.105 56.968 58.000 0.121 0.000 1.000 258 F CB 1.380 40.453 39.000 0.122 0.000 1.278 258 F HN 0.173 nan 8.300 nan 0.000 0.446 259 N N 3.495 121.980 118.700 -0.359 0.000 2.331 259 N HA -0.028 4.713 4.740 0.002 0.000 0.180 259 N C 0.571 175.907 175.510 -0.290 0.000 1.019 259 N CA 1.333 54.192 53.050 -0.320 0.000 0.881 259 N CB 0.042 38.304 38.487 -0.375 0.000 0.972 259 N HN 0.594 nan 8.380 nan 0.000 0.435 260 M N -2.978 116.377 119.600 -0.409 0.000 2.461 260 M HA 0.555 5.036 4.480 0.002 0.000 0.253 260 M C 1.292 177.658 176.300 0.110 0.000 0.930 260 M CA -0.516 54.665 55.300 -0.198 0.000 1.313 260 M CB -0.144 32.281 32.600 -0.291 0.000 1.437 260 M HN -0.170 nan 8.290 nan 0.000 0.713 261 G N -0.213 108.663 108.800 0.126 0.000 2.559 261 G HA2 0.573 4.534 3.960 0.002 0.000 0.209 261 G HA3 0.573 4.534 3.960 0.002 0.000 0.209 261 G C 0.170 175.153 174.900 0.139 0.000 1.151 261 G CA 0.701 45.940 45.100 0.231 0.000 0.824 261 G HN 1.097 nan 8.290 nan 0.000 0.543 262 A N -1.478 121.359 122.820 0.028 0.000 2.544 262 A HA 0.719 5.040 4.320 0.002 0.000 0.291 262 A C -1.918 175.676 177.584 0.016 0.000 1.055 262 A CA -0.462 51.426 52.037 -0.249 0.000 0.651 262 A CB 1.359 19.567 19.000 -1.320 0.000 1.296 262 A HN 0.521 nan 8.150 nan 0.000 0.431 263 M N 1.089 120.695 119.600 0.010 0.000 2.322 263 M HA 0.441 4.922 4.480 0.002 0.000 0.286 263 M C -0.336 176.043 176.300 0.131 0.000 1.111 263 M CA -0.304 55.087 55.300 0.152 0.000 0.941 263 M CB 2.029 34.802 32.600 0.288 0.000 1.671 263 M HN 0.745 nan 8.290 nan 0.000 0.470 264 E N 2.488 122.771 120.200 0.138 0.000 2.296 264 E HA 0.100 4.451 4.350 0.002 0.000 0.196 264 E C -0.979 175.619 176.600 -0.004 0.000 1.143 264 E CA -0.150 56.322 56.400 0.120 0.000 1.145 264 E CB -0.794 29.008 29.700 0.169 0.000 1.215 264 E HN 0.685 nan 8.360 nan 0.000 0.447 265 N N 2.392 121.063 118.700 -0.049 0.000 2.359 265 N HA -0.091 4.650 4.740 0.002 0.000 0.261 265 N C 0.090 175.469 175.510 -0.218 0.000 1.267 265 N CA 0.392 53.342 53.050 -0.168 0.000 0.864 265 N CB 0.531 38.888 38.487 -0.216 0.000 1.063 265 N HN 0.170 nan 8.380 nan 0.000 0.474 266 K N 1.510 121.764 120.400 -0.244 0.000 2.437 266 K HA 0.028 4.349 4.320 0.002 0.000 0.277 266 K C 1.177 177.647 176.600 -0.217 0.000 1.073 266 K CA 0.981 57.138 56.287 -0.218 0.000 1.105 266 K CB -0.596 31.773 32.500 -0.219 0.000 0.881 266 K HN 0.723 nan 8.250 nan 0.000 0.475 267 G N 3.072 111.735 108.800 -0.229 0.000 2.189 267 G HA2 -0.274 3.687 3.960 0.002 0.000 0.267 267 G HA3 -0.274 3.687 3.960 0.002 0.000 0.267 267 G C -0.170 174.502 174.900 -0.380 0.000 0.975 267 G CA 0.473 45.432 45.100 -0.235 0.000 0.644 267 G HN 0.654 nan 8.290 nan 0.000 0.537 268 L N 1.323 122.311 121.223 -0.392 0.000 2.448 268 L HA 0.451 4.792 4.340 0.002 0.000 0.257 268 L C -0.106 176.585 176.870 -0.299 0.000 1.504 268 L CA -0.995 53.612 54.840 -0.388 0.000 0.852 268 L CB -0.141 41.642 42.059 -0.460 0.000 1.051 268 L HN 0.258 nan 8.230 nan 0.000 0.518 269 N N 3.219 121.781 118.700 -0.230 0.000 2.492 269 N HA 0.386 5.127 4.740 0.002 0.000 0.260 269 N C -0.697 174.814 175.510 0.001 0.000 1.215 269 N CA -0.066 52.982 53.050 -0.003 0.000 0.923 269 N CB 1.140 39.791 38.487 0.273 0.000 1.092 269 N HN 0.401 nan 8.380 nan 0.000 0.448 270 I N 2.657 123.240 120.570 0.022 0.000 2.378 270 I HA 0.320 4.492 4.170 0.002 0.000 0.291 270 I C -0.914 175.089 176.117 -0.190 0.000 0.992 270 I CA -0.482 60.738 61.300 -0.133 0.000 1.154 270 I CB 0.749 38.617 38.000 -0.221 0.000 1.315 270 I HN 0.304 nan 8.210 nan 0.000 0.448 271 F N 4.610 124.280 119.950 -0.467 0.000 2.520 271 F HA 0.347 4.875 4.527 0.002 0.000 0.322 271 F C 0.553 176.112 175.800 -0.402 0.000 1.103 271 F CA -0.913 56.895 58.000 -0.320 0.000 0.926 271 F CB 1.389 40.326 39.000 -0.106 0.000 1.154 271 F HN 0.394 nan 8.300 nan 0.000 0.453 272 N N 1.132 119.771 118.700 -0.101 0.000 2.454 272 N HA -0.075 4.666 4.740 0.002 0.000 0.260 272 N C 1.063 176.615 175.510 0.069 0.000 1.218 272 N CA 0.630 53.711 53.050 0.051 0.000 0.904 272 N CB 1.210 39.847 38.487 0.250 0.000 1.065 272 N HN 0.718 nan 8.380 nan 0.000 0.462 273 S N 3.396 119.100 115.700 0.007 0.000 2.469 273 S HA -0.151 4.320 4.470 0.002 0.000 0.238 273 S C 1.634 176.197 174.600 -0.062 0.000 0.998 273 S CA 0.756 58.954 58.200 -0.002 0.000 0.957 273 S CB -0.098 63.095 63.200 -0.011 0.000 0.764 273 S HN 0.743 nan 8.310 nan 0.000 0.514 274 K N 0.457 120.759 120.400 -0.164 0.000 2.173 274 K HA -0.172 4.149 4.320 0.002 0.000 0.207 274 K C 0.337 176.638 176.600 -0.500 0.000 1.046 274 K CA 1.390 57.449 56.287 -0.381 0.000 0.929 274 K CB -0.220 31.941 32.500 -0.565 0.000 0.720 274 K HN 0.570 nan 8.250 nan 0.000 0.453 275 Y N -0.705 119.655 120.300 0.099 0.000 2.658 275 Y HA 0.136 4.687 4.550 0.002 0.000 0.276 275 Y C 1.029 177.064 175.900 0.226 0.000 1.167 275 Y CA -0.417 57.787 58.100 0.174 0.000 1.230 275 Y CB 0.865 39.439 38.460 0.191 0.000 1.144 275 Y HN -0.152 nan 8.280 nan 0.000 0.529 276 V N -1.655 118.362 119.914 0.171 0.000 3.103 276 V HA 0.125 4.247 4.120 0.002 0.000 0.229 276 V C 0.439 176.542 176.094 0.014 0.000 1.304 276 V CA -0.052 62.282 62.300 0.057 0.000 1.298 276 V CB 0.497 32.312 31.823 -0.012 0.000 1.093 276 V HN -0.049 nan 8.190 nan 0.000 0.489 277 L N 1.880 123.092 121.223 -0.019 0.000 2.278 277 L HA 0.735 5.076 4.340 0.002 0.000 0.287 277 L C -0.204 176.607 176.870 -0.097 0.000 1.072 277 L CA 0.013 54.827 54.840 -0.044 0.000 0.819 277 L CB 0.962 42.991 42.059 -0.050 0.000 1.176 277 L HN 0.320 nan 8.230 nan 0.000 0.435 278 A N 4.942 127.704 122.820 -0.096 0.000 2.455 278 A HA 0.845 5.166 4.320 0.002 0.000 0.300 278 A C -0.909 176.620 177.584 -0.092 0.000 1.040 278 A CA -0.648 51.247 52.037 -0.238 0.000 0.697 278 A CB 1.964 20.604 19.000 -0.601 0.000 1.265 278 A HN 0.749 nan 8.150 nan 0.000 0.407 279 R N 0.090 120.543 120.500 -0.077 0.000 2.740 279 R HA 0.497 4.838 4.340 0.002 0.000 0.273 279 R C 1.274 177.615 176.300 0.069 0.000 0.998 279 R CA 0.188 56.314 56.100 0.044 0.000 0.900 279 R CB 1.837 32.144 30.300 0.013 0.000 1.223 279 R HN 0.924 nan 8.270 nan 0.000 0.466 280 T N -2.181 112.439 114.554 0.110 0.000 2.929 280 T HA -0.153 4.199 4.350 0.002 0.000 0.271 280 T C 1.047 175.657 174.700 -0.149 0.000 1.085 280 T CA 1.662 63.758 62.100 -0.007 0.000 1.125 280 T CB -0.173 68.645 68.868 -0.084 0.000 0.874 280 T HN 0.710 nan 8.240 nan 0.000 0.494 281 D N 1.490 121.844 120.400 -0.078 0.000 2.348 281 D HA -0.033 4.608 4.640 0.002 0.000 0.211 281 D C 1.885 178.061 176.300 -0.207 0.000 0.998 281 D CA 1.104 55.065 54.000 -0.066 0.000 0.873 281 D CB -0.574 40.279 40.800 0.089 0.000 0.925 281 D HN 0.628 nan 8.370 nan 0.000 0.524 282 T N -3.288 111.102 114.554 -0.273 0.000 2.990 282 T HA 0.545 4.896 4.350 0.002 0.000 0.250 282 T C 0.734 175.228 174.700 -0.343 0.000 1.041 282 T CA 0.111 61.926 62.100 -0.476 0.000 1.010 282 T CB 0.345 68.989 68.868 -0.375 0.000 1.003 282 T HN 0.233 nan 8.240 nan 0.000 0.499 283 A N 1.818 124.501 122.820 -0.229 0.000 2.414 283 A HA 0.729 5.050 4.320 0.002 0.000 0.306 283 A C 0.211 177.756 177.584 -0.065 0.000 1.054 283 A CA -0.651 51.261 52.037 -0.208 0.000 0.724 283 A CB 1.479 20.234 19.000 -0.408 0.000 1.267 283 A HN 0.466 nan 8.150 nan 0.000 0.418 284 T N -1.104 113.431 114.554 -0.031 0.000 2.881 284 T HA 0.354 4.705 4.350 0.002 0.000 0.278 284 T C 0.271 175.091 174.700 0.200 0.000 0.982 284 T CA -0.197 61.934 62.100 0.052 0.000 0.989 284 T CB 0.756 69.633 68.868 0.016 0.000 1.058 284 T HN 0.446 nan 8.240 nan 0.000 0.529 285 D N 0.048 120.557 120.400 0.181 0.000 2.158 285 D HA -0.146 4.496 4.640 0.002 0.000 0.197 285 D C 1.835 178.204 176.300 0.116 0.000 0.995 285 D CA 1.428 55.509 54.000 0.135 0.000 0.846 285 D CB -0.119 40.705 40.800 0.039 0.000 0.941 285 D HN 0.762 nan 8.370 nan 0.000 0.456 286 K N 0.731 121.182 120.400 0.084 0.000 2.057 286 K HA -0.150 4.171 4.320 0.002 0.000 0.206 286 K C 1.376 178.031 176.600 0.092 0.000 1.050 286 K CA 1.338 57.669 56.287 0.074 0.000 0.935 286 K CB 0.142 32.670 32.500 0.047 0.000 0.715 286 K HN -0.103 nan 8.250 nan 0.000 0.439 287 D N 0.252 120.684 120.400 0.053 0.000 2.116 287 D HA -0.201 4.440 4.640 0.002 0.000 0.193 287 D C 1.899 178.217 176.300 0.029 0.000 0.998 287 D CA 1.435 55.436 54.000 0.002 0.000 0.836 287 D CB -0.594 40.125 40.800 -0.136 0.000 0.951 287 D HN 0.313 nan 8.370 nan 0.000 0.449 288 Y N 0.896 121.194 120.300 -0.004 0.000 2.128 288 Y HA -0.139 4.412 4.550 0.002 0.000 0.284 288 Y C 2.582 178.642 175.900 0.268 0.000 1.154 288 Y CA 0.906 58.966 58.100 -0.067 0.000 1.149 288 Y CB -0.353 37.794 38.460 -0.522 0.000 0.976 288 Y HN -0.050 nan 8.280 nan 0.000 0.505 289 L N -0.780 120.619 121.223 0.294 0.000 2.217 289 L HA -0.172 4.169 4.340 0.002 0.000 0.211 289 L C 1.727 178.742 176.870 0.241 0.000 1.107 289 L CA 0.827 55.825 54.840 0.262 0.000 0.783 289 L CB -0.412 41.736 42.059 0.148 0.000 0.919 289 L HN 0.205 nan 8.230 nan 0.000 0.442 290 D N 0.520 121.060 120.400 0.233 0.000 2.117 290 D HA -0.117 4.524 4.640 0.002 0.000 0.198 290 D C 2.294 178.776 176.300 0.303 0.000 0.982 290 D CA 1.180 55.325 54.000 0.242 0.000 0.828 290 D CB 0.011 40.999 40.800 0.314 0.000 0.967 290 D HN 0.252 nan 8.370 nan 0.000 0.464 291 I N 1.182 121.980 120.570 0.380 0.000 2.163 291 I HA -0.267 3.904 4.170 0.002 0.000 0.243 291 I C 2.491 178.768 176.117 0.266 0.000 1.085 291 I CA 1.235 62.761 61.300 0.376 0.000 1.347 291 I CB -0.204 38.034 38.000 0.395 0.000 1.044 291 I HN 0.041 nan 8.210 nan 0.000 0.408 292 E N 1.357 121.748 120.200 0.318 0.000 2.058 292 E HA -0.318 4.033 4.350 0.002 0.000 0.194 292 E C 2.397 179.151 176.600 0.257 0.000 0.997 292 E CA 1.501 58.024 56.400 0.204 0.000 0.801 292 E CB -0.128 29.736 29.700 0.274 0.000 0.746 292 E HN 0.327 nan 8.360 nan 0.000 0.450 293 R N 0.130 120.759 120.500 0.214 0.000 2.080 293 R HA -0.157 4.184 4.340 0.002 0.000 0.236 293 R C 2.263 178.644 176.300 0.134 0.000 1.137 293 R CA 1.954 58.164 56.100 0.183 0.000 0.943 293 R CB -0.236 30.122 30.300 0.097 0.000 0.846 293 R HN 0.162 nan 8.270 nan 0.000 0.431 294 V N 1.234 121.190 119.914 0.070 0.000 2.346 294 V HA -0.200 3.921 4.120 0.002 0.000 0.244 294 V C 2.477 178.702 176.094 0.218 0.000 1.037 294 V CA 1.287 63.579 62.300 -0.013 0.000 1.029 294 V CB -0.396 31.247 31.823 -0.300 0.000 0.663 294 V HN 0.303 nan 8.190 nan 0.000 0.454 295 I N 1.398 122.180 120.570 0.353 0.000 2.091 295 I HA -0.293 3.879 4.170 0.002 0.000 0.240 295 I C 2.637 178.724 176.117 -0.050 0.000 1.046 295 I CA 2.476 63.909 61.300 0.221 0.000 1.306 295 I CB -1.877 36.072 38.000 -0.085 0.000 1.018 295 I HN 0.423 nan 8.210 nan 0.000 0.404 296 G N -0.579 108.086 108.800 -0.225 0.000 2.446 296 G HA2 -0.334 3.627 3.960 0.002 0.000 0.217 296 G HA3 -0.334 3.627 3.960 0.002 0.000 0.217 296 G C 1.615 175.910 174.900 -1.009 0.000 1.168 296 G CA 1.380 45.939 45.100 -0.901 0.000 0.771 296 G HN 0.518 nan 8.290 nan 0.000 0.551 297 H N 0.690 119.549 119.070 -0.353 0.000 2.289 297 H HA -0.091 4.466 4.556 0.002 0.000 0.296 297 H C 2.506 177.749 175.328 -0.141 0.000 1.091 297 H CA 2.157 58.116 56.048 -0.148 0.000 1.274 297 H CB 0.168 29.913 29.762 -0.028 0.000 1.364 297 H HN 0.243 nan 8.280 nan 0.000 0.490 298 E N -0.249 120.052 120.200 0.168 0.000 2.150 298 E HA -0.181 4.170 4.350 0.002 0.000 0.193 298 E C 2.035 178.733 176.600 0.164 0.000 0.985 298 E CA 0.873 57.441 56.400 0.279 0.000 0.814 298 E CB -0.739 29.185 29.700 0.374 0.000 0.752 298 E HN 0.637 nan 8.360 nan 0.000 0.466 299 Y N 0.759 120.994 120.300 -0.109 0.000 2.181 299 Y HA -0.232 4.319 4.550 0.002 0.000 0.288 299 Y C 1.829 177.687 175.900 -0.070 0.000 1.146 299 Y CA 1.371 59.364 58.100 -0.179 0.000 1.164 299 Y CB -0.357 37.775 38.460 -0.548 0.000 0.982 299 Y HN -0.095 nan 8.280 nan 0.000 0.515 300 F N -0.782 119.058 119.950 -0.184 0.000 2.293 300 F HA -0.159 4.369 4.527 0.002 0.000 0.300 300 F C 2.433 178.115 175.800 -0.197 0.000 1.086 300 F CA 1.145 59.005 58.000 -0.233 0.000 1.375 300 F CB -1.203 37.678 39.000 -0.198 0.000 1.045 300 F HN 0.224 nan 8.300 nan 0.000 0.516 301 H N -0.342 118.716 119.070 -0.020 0.000 2.521 301 H HA -0.103 4.454 4.556 0.002 0.000 0.286 301 H C 1.965 177.267 175.328 -0.042 0.000 1.034 301 H CA 0.945 56.993 56.048 0.001 0.000 1.278 301 H CB -0.524 29.250 29.762 0.022 0.000 1.386 301 H HN 0.245 nan 8.280 nan 0.000 0.567 302 N N 0.032 118.711 118.700 -0.035 0.000 2.137 302 N HA -0.197 4.544 4.740 0.002 0.000 0.190 302 N C 1.536 176.818 175.510 -0.380 0.000 1.017 302 N CA 1.617 54.541 53.050 -0.211 0.000 0.859 302 N CB -0.104 38.229 38.487 -0.257 0.000 1.002 302 N HN 0.282 nan 8.380 nan 0.000 0.428 303 W N -0.522 120.708 121.300 -0.117 0.000 2.644 303 W HA 0.224 4.885 4.660 0.002 0.000 0.279 303 W C 0.737 177.358 176.519 0.170 0.000 1.164 303 W CA 0.695 57.973 57.345 -0.111 0.000 1.457 303 W CB -0.577 28.690 29.460 -0.322 0.000 1.087 303 W HN -0.046 nan 8.180 nan 0.000 0.573 304 T N -1.146 113.678 114.554 0.449 0.000 3.579 304 T HA 0.626 4.977 4.350 0.002 0.000 0.328 304 T C 0.638 175.576 174.700 0.397 0.000 1.481 304 T CA 0.280 62.651 62.100 0.451 0.000 1.144 304 T CB 0.042 69.102 68.868 0.320 0.000 1.205 304 T HN 0.352 nan 8.240 nan 0.000 0.812 305 G N 3.336 112.330 108.800 0.324 0.000 3.709 305 G HA2 -0.198 3.763 3.960 0.002 0.000 0.196 305 G HA3 -0.198 3.763 3.960 0.002 0.000 0.196 305 G C 0.824 175.799 174.900 0.125 0.000 1.177 305 G CA -0.094 45.159 45.100 0.256 0.000 0.906 305 G HN 0.496 nan 8.290 nan 0.000 0.416 306 N N 0.613 119.326 118.700 0.022 0.000 2.324 306 N HA 0.158 4.899 4.740 0.002 0.000 0.192 306 N C 2.087 177.483 175.510 -0.190 0.000 1.046 306 N CA 0.767 53.736 53.050 -0.135 0.000 0.898 306 N CB -0.342 38.006 38.487 -0.232 0.000 1.079 306 N HN 0.097 nan 8.380 nan 0.000 0.456 307 R N 0.599 120.909 120.500 -0.317 0.000 2.096 307 R HA 0.063 4.404 4.340 0.002 0.000 0.235 307 R C -0.069 176.198 176.300 -0.054 0.000 1.127 307 R CA 0.541 56.428 56.100 -0.355 0.000 0.968 307 R CB -0.396 29.427 30.300 -0.796 0.000 0.861 307 R HN 0.108 nan 8.270 nan 0.000 0.440 308 V N 0.880 120.843 119.914 0.082 0.000 2.407 308 V HA 0.214 4.335 4.120 0.002 0.000 0.291 308 V C 0.362 176.528 176.094 0.120 0.000 1.018 308 V CA -0.484 61.880 62.300 0.107 0.000 0.842 308 V CB 1.862 33.733 31.823 0.080 0.000 0.996 308 V HN 0.105 nan 8.190 nan 0.000 0.426 309 T N 3.456 118.055 114.554 0.075 0.000 2.864 309 T HA 0.415 4.766 4.350 0.002 0.000 0.276 309 T C -0.311 174.409 174.700 0.035 0.000 1.006 309 T CA -0.307 61.846 62.100 0.088 0.000 0.970 309 T CB 1.377 70.296 68.868 0.086 0.000 1.420 309 T HN 0.687 nan 8.240 nan 0.000 0.601 310 C N 2.297 121.573 119.300 -0.040 0.000 2.295 310 C HA 0.502 4.963 4.460 0.002 0.000 0.331 310 C C 1.966 176.820 174.990 -0.227 0.000 1.280 310 C CA -0.683 58.236 59.018 -0.165 0.000 1.746 310 C CB 0.377 27.925 27.740 -0.319 0.000 2.328 310 C HN 1.024 nan 8.230 nan 0.000 0.521 311 R N 1.413 121.796 120.500 -0.194 0.000 2.120 311 R HA -0.093 4.248 4.340 0.002 0.000 0.234 311 R C 0.061 176.221 176.300 -0.234 0.000 1.123 311 R CA 1.960 57.933 56.100 -0.212 0.000 0.975 311 R CB 0.159 30.276 30.300 -0.305 0.000 0.866 311 R HN 0.999 nan 8.270 nan 0.000 0.446 312 D N -4.800 115.433 120.400 -0.277 0.000 2.643 312 D HA 0.064 4.705 4.640 0.002 0.000 0.283 312 D C -0.354 175.745 176.300 -0.335 0.000 1.242 312 D CA -0.808 53.057 54.000 -0.226 0.000 0.863 312 D CB -0.463 40.396 40.800 0.098 0.000 1.382 312 D HN -0.048 nan 8.370 nan 0.000 0.444 313 W N -1.013 120.205 121.300 -0.137 0.000 2.678 313 W HA 0.149 4.811 4.660 0.002 0.000 0.256 313 W C 1.122 177.440 176.519 -0.335 0.000 1.280 313 W CA -0.408 56.768 57.345 -0.282 0.000 1.345 313 W CB -0.168 29.088 29.460 -0.340 0.000 1.118 313 W HN 0.290 nan 8.180 nan 0.000 0.629 314 F N 0.328 120.317 119.950 0.065 0.000 2.365 314 F HA -0.169 4.359 4.527 0.002 0.000 0.300 314 F C 2.126 177.932 175.800 0.011 0.000 1.090 314 F CA 0.883 58.882 58.000 -0.002 0.000 1.408 314 F CB -0.656 38.330 39.000 -0.024 0.000 1.060 314 F HN -0.089 nan 8.300 nan 0.000 0.534 315 Q N 0.414 120.288 119.800 0.124 0.000 2.322 315 Q HA 0.056 4.397 4.340 0.002 0.000 0.203 315 Q C 2.060 178.086 176.000 0.044 0.000 0.923 315 Q CA 0.080 55.919 55.803 0.059 0.000 0.949 315 Q CB -0.479 28.245 28.738 -0.024 0.000 1.039 315 Q HN 0.428 nan 8.270 nan 0.000 0.496 316 L N 0.803 122.065 121.223 0.065 0.000 2.051 316 L HA -0.224 4.117 4.340 0.002 0.000 0.214 316 L C 2.208 179.076 176.870 -0.003 0.000 1.076 316 L CA 1.985 56.853 54.840 0.046 0.000 0.758 316 L CB -0.809 41.222 42.059 -0.047 0.000 0.890 316 L HN 0.147 nan 8.230 nan 0.000 0.433 317 S N -1.264 114.448 115.700 0.020 0.000 2.419 317 S HA -0.163 4.308 4.470 0.002 0.000 0.233 317 S C 1.960 176.551 174.600 -0.014 0.000 1.016 317 S CA 1.158 59.357 58.200 -0.002 0.000 0.974 317 S CB -0.568 62.669 63.200 0.062 0.000 0.786 317 S HN 0.490 nan 8.310 nan 0.000 0.492 318 L N 2.221 123.449 121.223 0.008 0.000 2.081 318 L HA -0.165 4.176 4.340 0.002 0.000 0.212 318 L C 2.065 178.884 176.870 -0.084 0.000 1.080 318 L CA 2.421 57.217 54.840 -0.073 0.000 0.754 318 L CB -0.558 41.487 42.059 -0.024 0.000 0.893 318 L HN 0.488 nan 8.230 nan 0.000 0.433 319 K N -2.520 117.892 120.400 0.019 0.000 2.214 319 K HA 0.055 4.376 4.320 0.002 0.000 0.201 319 K C 1.750 178.420 176.600 0.118 0.000 1.049 319 K CA 0.506 56.869 56.287 0.126 0.000 0.978 319 K CB -0.421 32.211 32.500 0.220 0.000 0.842 319 K HN 0.137 nan 8.250 nan 0.000 0.474 320 E N 1.385 121.585 120.200 -0.001 0.000 2.072 320 E HA -0.056 4.295 4.350 0.002 0.000 0.190 320 E C 2.270 178.748 176.600 -0.203 0.000 0.982 320 E CA 1.476 57.751 56.400 -0.208 0.000 0.803 320 E CB -0.396 28.843 29.700 -0.768 0.000 0.755 320 E HN 0.554 nan 8.360 nan 0.000 0.453 321 G N 1.547 110.265 108.800 -0.137 0.000 2.402 321 G HA2 -0.209 3.752 3.960 0.002 0.000 0.216 321 G HA3 -0.209 3.752 3.960 0.002 0.000 0.216 321 G C 1.606 176.508 174.900 0.004 0.000 1.162 321 G CA 0.666 45.736 45.100 -0.050 0.000 0.777 321 G HN 0.224 nan 8.290 nan 0.000 0.539 322 L N 0.977 122.159 121.223 -0.068 0.000 2.093 322 L HA 0.078 4.419 4.340 0.002 0.000 0.208 322 L C 2.703 179.602 176.870 0.049 0.000 1.085 322 L CA 2.365 57.182 54.840 -0.039 0.000 0.755 322 L CB -0.861 41.046 42.059 -0.254 0.000 0.904 322 L HN 0.153 nan 8.230 nan 0.000 0.435 323 T N -1.442 113.073 114.554 -0.065 0.000 2.985 323 T HA -0.066 4.285 4.350 0.002 0.000 0.266 323 T C 1.982 176.642 174.700 -0.067 0.000 1.076 323 T CA 1.217 63.181 62.100 -0.227 0.000 1.135 323 T CB -0.147 68.246 68.868 -0.791 0.000 0.890 323 T HN 0.167 nan 8.240 nan 0.000 0.480 324 V N 1.297 121.286 119.914 0.125 0.000 2.307 324 V HA -0.098 4.023 4.120 0.002 0.000 0.245 324 V C 1.980 178.187 176.094 0.188 0.000 1.045 324 V CA 1.444 63.901 62.300 0.261 0.000 1.024 324 V CB -0.697 31.287 31.823 0.269 0.000 0.651 324 V HN 0.447 nan 8.190 nan 0.000 0.449 325 F N 1.463 121.442 119.950 0.049 0.000 2.120 325 F HA -0.260 4.268 4.527 0.002 0.000 0.300 325 F C 2.504 178.335 175.800 0.051 0.000 1.095 325 F CA 1.986 60.007 58.000 0.036 0.000 1.249 325 F CB -0.303 38.725 39.000 0.045 0.000 0.995 325 F HN -0.004 nan 8.300 nan 0.000 0.480 326 R N 0.204 120.715 120.500 0.018 0.000 2.081 326 R HA -0.166 4.175 4.340 0.002 0.000 0.235 326 R C 2.018 178.213 176.300 -0.174 0.000 1.131 326 R CA 1.741 57.760 56.100 -0.135 0.000 0.960 326 R CB -0.764 29.389 30.300 -0.245 0.000 0.856 326 R HN 0.556 nan 8.270 nan 0.000 0.436 327 D N -0.044 120.413 120.400 0.096 0.000 2.178 327 D HA -0.175 4.466 4.640 0.002 0.000 0.202 327 D C 1.601 177.935 176.300 0.058 0.000 0.974 327 D CA 1.122 55.279 54.000 0.263 0.000 0.841 327 D CB -0.158 40.870 40.800 0.381 0.000 0.953 327 D HN 0.241 nan 8.370 nan 0.000 0.478 328 Q N -0.239 119.530 119.800 -0.052 0.000 2.079 328 Q HA -0.121 4.220 4.340 0.002 0.000 0.200 328 Q C 1.995 177.843 176.000 -0.254 0.000 0.974 328 Q CA 1.195 56.915 55.803 -0.140 0.000 0.840 328 Q CB -0.024 28.635 28.738 -0.132 0.000 0.898 328 Q HN 0.319 nan 8.270 nan 0.000 0.430 329 E N 0.346 120.326 120.200 -0.367 0.000 2.085 329 E HA -0.182 4.169 4.350 0.002 0.000 0.194 329 E C 1.698 178.107 176.600 -0.318 0.000 0.994 329 E CA 0.849 57.081 56.400 -0.279 0.000 0.801 329 E CB -0.296 29.304 29.700 -0.166 0.000 0.743 329 E HN 0.284 nan 8.360 nan 0.000 0.453 330 F N 1.870 121.221 119.950 -0.998 0.000 2.075 330 F HA -0.163 4.365 4.527 0.002 0.000 0.297 330 F C 2.424 177.839 175.800 -0.642 0.000 1.113 330 F CA 1.573 58.680 58.000 -1.487 0.000 1.218 330 F CB -0.507 37.761 39.000 -1.218 0.000 0.984 330 F HN -0.135 nan 8.300 nan 0.000 0.472 331 S N -0.270 115.136 115.700 -0.491 0.000 2.368 331 S HA -0.164 4.307 4.470 0.002 0.000 0.225 331 S C 2.201 176.586 174.600 -0.359 0.000 1.030 331 S CA 1.387 59.322 58.200 -0.442 0.000 0.999 331 S CB -0.507 62.576 63.200 -0.196 0.000 0.844 331 S HN 0.436 nan 8.310 nan 0.000 0.459 332 S N 1.439 116.970 115.700 -0.280 0.000 2.368 332 S HA -0.086 4.385 4.470 0.002 0.000 0.224 332 S C 1.520 176.003 174.600 -0.195 0.000 1.029 332 S CA 1.031 59.103 58.200 -0.214 0.000 0.988 332 S CB -0.388 62.708 63.200 -0.173 0.000 0.838 332 S HN 0.426 nan 8.310 nan 0.000 0.462 333 D N 1.098 121.398 120.400 -0.167 0.000 2.117 333 D HA 0.001 4.642 4.640 0.002 0.000 0.198 333 D C 1.758 177.979 176.300 -0.132 0.000 0.982 333 D CA 0.749 54.723 54.000 -0.044 0.000 0.828 333 D CB -0.236 40.698 40.800 0.224 0.000 0.967 333 D HN 0.186 nan 8.370 nan 0.000 0.464 334 L N -0.230 120.820 121.223 -0.288 0.000 2.179 334 L HA 0.160 4.501 4.340 0.002 0.000 0.208 334 L C 1.691 178.236 176.870 -0.541 0.000 1.096 334 L CA 0.973 55.623 54.840 -0.317 0.000 0.779 334 L CB -0.452 41.356 42.059 -0.418 0.000 0.922 334 L HN -0.010 nan 8.230 nan 0.000 0.443 335 G N -2.579 105.829 108.800 -0.655 0.000 3.099 335 G HA2 0.296 4.257 3.960 0.002 0.000 0.151 335 G HA3 0.296 4.257 3.960 0.002 0.000 0.151 335 G C -0.735 173.886 174.900 -0.464 0.000 1.265 335 G CA -0.060 44.418 45.100 -1.038 0.000 0.981 335 G HN -0.036 nan 8.290 nan 0.000 0.601 336 S N -0.660 114.875 115.700 -0.274 0.000 2.430 336 S HA 0.226 4.697 4.470 0.002 0.000 0.289 336 S C 1.440 175.961 174.600 -0.132 0.000 1.143 336 S CA -0.331 57.780 58.200 -0.148 0.000 1.067 336 S CB 1.023 64.175 63.200 -0.081 0.000 0.964 336 S HN 0.562 nan 8.310 nan 0.000 0.485 337 R N 4.165 124.598 120.500 -0.113 0.000 2.091 337 R HA -0.114 4.227 4.340 0.002 0.000 0.238 337 R C 2.203 178.459 176.300 -0.073 0.000 1.136 337 R CA 1.903 57.945 56.100 -0.096 0.000 0.959 337 R CB -0.626 29.631 30.300 -0.072 0.000 0.856 337 R HN 0.783 nan 8.270 nan 0.000 0.437 338 A N 0.068 122.861 122.820 -0.045 0.000 1.858 338 A HA -0.125 4.196 4.320 0.002 0.000 0.216 338 A C 2.275 179.821 177.584 -0.064 0.000 1.190 338 A CA 1.741 53.772 52.037 -0.011 0.000 0.617 338 A CB -0.696 18.308 19.000 0.007 0.000 0.827 338 A HN 0.229 nan 8.150 nan 0.000 0.443 339 V N 1.111 120.968 119.914 -0.094 0.000 2.343 339 V HA -0.288 3.834 4.120 0.002 0.000 0.247 339 V C 2.363 178.370 176.094 -0.145 0.000 1.051 339 V CA 2.131 64.349 62.300 -0.136 0.000 1.036 339 V CB -0.979 30.787 31.823 -0.095 0.000 0.654 339 V HN 0.570 nan 8.190 nan 0.000 0.451 340 N N 0.158 118.788 118.700 -0.118 0.000 2.058 340 N HA -0.213 4.528 4.740 0.002 0.000 0.191 340 N C 2.070 177.504 175.510 -0.126 0.000 1.037 340 N CA 1.628 54.608 53.050 -0.117 0.000 0.848 340 N CB -0.299 38.115 38.487 -0.121 0.000 1.021 340 N HN 0.282 nan 8.380 nan 0.000 0.422 341 R N 1.520 121.950 120.500 -0.116 0.000 2.091 341 R HA 0.027 4.368 4.340 0.002 0.000 0.238 341 R C 2.208 178.441 176.300 -0.111 0.000 1.136 341 R CA 0.975 56.999 56.100 -0.127 0.000 0.959 341 R CB -0.754 29.458 30.300 -0.147 0.000 0.856 341 R HN 0.256 nan 8.270 nan 0.000 0.437 342 I N 0.583 121.070 120.570 -0.139 0.000 2.127 342 I HA -0.341 3.830 4.170 0.002 0.000 0.241 342 I C 1.774 177.603 176.117 -0.480 0.000 1.075 342 I CA 1.577 62.591 61.300 -0.476 0.000 1.334 342 I CB -0.402 37.056 38.000 -0.903 0.000 1.040 342 I HN 0.257 nan 8.210 nan 0.000 0.405 343 N N 0.933 119.439 118.700 -0.323 0.000 2.166 343 N HA -0.152 4.589 4.740 0.002 0.000 0.186 343 N C 1.510 176.929 175.510 -0.152 0.000 1.019 343 N CA 1.188 54.111 53.050 -0.212 0.000 0.856 343 N CB -0.568 37.832 38.487 -0.144 0.000 0.993 343 N HN 0.393 nan 8.380 nan 0.000 0.426 344 N N 0.518 119.136 118.700 -0.137 0.000 2.244 344 N HA -0.058 4.683 4.740 0.002 0.000 0.183 344 N C 1.830 177.245 175.510 -0.159 0.000 1.016 344 N CA 0.440 53.427 53.050 -0.105 0.000 0.866 344 N CB -0.313 38.132 38.487 -0.069 0.000 0.980 344 N HN 0.062 nan 8.380 nan 0.000 0.430 345 V N 1.643 121.426 119.914 -0.218 0.000 2.379 345 V HA -0.131 3.990 4.120 0.002 0.000 0.245 345 V C 2.332 178.249 176.094 -0.296 0.000 1.044 345 V CA 1.242 63.307 62.300 -0.392 0.000 1.036 345 V CB -0.344 31.325 31.823 -0.256 0.000 0.664 345 V HN 0.227 nan 8.190 nan 0.000 0.453 346 R N -0.078 120.341 120.500 -0.135 0.000 2.096 346 R HA -0.184 4.157 4.340 0.002 0.000 0.240 346 R C 2.407 178.644 176.300 -0.104 0.000 1.139 346 R CA 2.124 58.196 56.100 -0.047 0.000 0.952 346 R CB -0.905 29.389 30.300 -0.010 0.000 0.854 346 R HN 0.490 nan 8.270 nan 0.000 0.436 347 T N 1.076 115.564 114.554 -0.109 0.000 2.684 347 T HA -0.165 4.186 4.350 0.002 0.000 0.267 347 T C 1.857 176.482 174.700 -0.125 0.000 1.036 347 T CA 1.244 63.292 62.100 -0.086 0.000 1.148 347 T CB -0.080 68.756 68.868 -0.054 0.000 0.863 347 T HN 0.078 nan 8.240 nan 0.000 0.436 348 M N 0.947 120.426 119.600 -0.202 0.000 2.065 348 M HA -0.033 4.448 4.480 0.002 0.000 0.259 348 M C 2.359 178.300 176.300 -0.597 0.000 1.071 348 M CA 1.712 56.848 55.300 -0.273 0.000 1.109 348 M CB -0.944 31.491 32.600 -0.276 0.000 1.313 348 M HN 0.181 nan 8.290 nan 0.000 0.408 349 R N -1.131 118.923 120.500 -0.743 0.000 2.090 349 R HA -0.023 4.318 4.340 0.002 0.000 0.228 349 R C 2.260 178.374 176.300 -0.310 0.000 1.110 349 R CA 1.219 56.795 56.100 -0.873 0.000 0.973 349 R CB -0.555 29.454 30.300 -0.485 0.000 0.869 349 R HN 0.513 nan 8.270 nan 0.000 0.440 350 G N -0.169 108.534 108.800 -0.161 0.000 2.539 350 G HA2 -0.037 3.924 3.960 0.002 0.000 0.215 350 G HA3 -0.037 3.924 3.960 0.002 0.000 0.215 350 G C 1.259 176.170 174.900 0.018 0.000 1.141 350 G CA 0.167 45.251 45.100 -0.027 0.000 0.806 350 G HN 0.086 nan 8.290 nan 0.000 0.533 351 L N -1.396 119.828 121.223 0.002 0.000 2.586 351 L HA 0.216 4.557 4.340 0.002 0.000 0.204 351 L C 2.537 179.456 176.870 0.080 0.000 1.053 351 L CA 0.146 55.010 54.840 0.041 0.000 0.856 351 L CB -0.335 41.735 42.059 0.018 0.000 1.192 351 L HN 0.033 nan 8.230 nan 0.000 0.484 352 Q N 0.563 120.410 119.800 0.079 0.000 2.083 352 Q HA -0.128 4.214 4.340 0.002 0.000 0.198 352 Q C 2.279 178.459 176.000 0.301 0.000 0.969 352 Q CA 1.721 57.619 55.803 0.158 0.000 0.838 352 Q CB -0.025 28.808 28.738 0.159 0.000 0.900 352 Q HN 0.268 nan 8.270 nan 0.000 0.436 353 F N 0.964 120.970 119.950 0.092 0.000 2.091 353 F HA -0.194 4.334 4.527 0.002 0.000 0.299 353 F C 2.560 178.405 175.800 0.075 0.000 1.103 353 F CA 1.008 59.066 58.000 0.097 0.000 1.228 353 F CB -1.456 37.613 39.000 0.114 0.000 0.984 353 F HN 0.172 nan 8.300 nan 0.000 0.477 354 A N -0.314 122.665 122.820 0.265 0.000 1.908 354 A HA -0.275 4.046 4.320 0.002 0.000 0.218 354 A C 2.261 179.926 177.584 0.136 0.000 1.181 354 A CA 1.980 54.119 52.037 0.170 0.000 0.627 354 A CB -0.965 18.120 19.000 0.142 0.000 0.818 354 A HN 0.493 nan 8.150 nan 0.000 0.445 355 E N -0.730 119.548 120.200 0.131 0.000 2.106 355 E HA -0.223 4.128 4.350 0.002 0.000 0.192 355 E C 1.180 177.828 176.600 0.081 0.000 0.984 355 E CA 1.175 57.634 56.400 0.099 0.000 0.806 355 E CB -0.198 29.554 29.700 0.087 0.000 0.750 355 E HN 0.456 nan 8.360 nan 0.000 0.458 356 D N -0.217 120.235 120.400 0.086 0.000 2.310 356 D HA -0.024 4.617 4.640 0.002 0.000 0.212 356 D C 1.092 177.418 176.300 0.044 0.000 0.965 356 D CA 0.914 54.943 54.000 0.048 0.000 0.879 356 D CB 0.226 41.054 40.800 0.046 0.000 0.921 356 D HN 0.289 nan 8.370 nan 0.000 0.510 357 A N 0.022 122.879 122.820 0.062 0.000 2.345 357 A HA 0.198 4.519 4.320 0.002 0.000 0.225 357 A C 1.034 178.655 177.584 0.063 0.000 1.243 357 A CA -0.053 52.014 52.037 0.052 0.000 0.875 357 A CB 0.019 19.051 19.000 0.054 0.000 0.929 357 A HN 0.173 nan 8.150 nan 0.000 0.502 358 S N -0.837 114.908 115.700 0.074 0.000 2.713 358 S HA 0.512 4.983 4.470 0.002 0.000 0.283 358 S C -1.958 172.688 174.600 0.078 0.000 1.161 358 S CA -1.125 57.123 58.200 0.080 0.000 0.999 358 S CB 1.110 64.363 63.200 0.088 0.000 1.039 358 S HN -0.001 nan 8.310 nan 0.000 0.548 359 P HA 0.054 nan 4.420 nan 0.000 0.225 359 P C 0.929 178.280 177.300 0.086 0.000 1.148 359 P CA 0.900 64.041 63.100 0.069 0.000 0.779 359 P CB 0.025 31.755 31.700 0.051 0.000 0.780 360 M N -1.022 118.632 119.600 0.091 0.000 2.568 360 M HA 0.186 4.667 4.480 0.002 0.000 0.226 360 M C 0.550 177.007 176.300 0.262 0.000 1.148 360 M CA -0.530 54.840 55.300 0.117 0.000 1.007 360 M CB -0.998 31.624 32.600 0.037 0.000 1.651 360 M HN -0.186 nan 8.290 nan 0.000 0.488 361 A N 2.092 125.029 122.820 0.196 0.000 2.540 361 A HA 0.238 4.559 4.320 0.002 0.000 0.239 361 A C 0.085 177.837 177.584 0.279 0.000 1.061 361 A CA 0.478 52.611 52.037 0.160 0.000 0.758 361 A CB -0.185 18.872 19.000 0.095 0.000 0.991 361 A HN 0.673 nan 8.150 nan 0.000 0.502 362 H N -0.196 118.975 119.070 0.169 0.000 3.046 362 H HA 0.572 5.129 4.556 0.002 0.000 0.361 362 H C -3.435 172.000 175.328 0.177 0.000 1.235 362 H CA -2.340 53.835 56.048 0.211 0.000 1.146 362 H CB 0.672 30.647 29.762 0.354 0.000 1.859 362 H HN 0.345 nan 8.280 nan 0.000 0.548 363 P HA 0.087 nan 4.420 nan 0.000 0.272 363 P C 1.763 179.189 177.300 0.210 0.000 1.230 363 P CA -0.397 62.801 63.100 0.163 0.000 0.788 363 P CB 1.060 32.863 31.700 0.173 0.000 0.949 364 I N -0.944 119.703 120.570 0.129 0.000 2.423 364 I HA -0.136 4.035 4.170 0.002 0.000 0.254 364 I C 1.091 177.337 176.117 0.215 0.000 1.151 364 I CA 1.284 62.665 61.300 0.135 0.000 1.421 364 I CB -0.321 37.670 38.000 -0.015 0.000 1.079 364 I HN 0.163 nan 8.210 nan 0.000 0.431 365 R N 2.685 123.335 120.500 0.250 0.000 2.280 365 R HA 0.429 4.770 4.340 0.002 0.000 0.326 365 R C -2.527 173.922 176.300 0.247 0.000 1.080 365 R CA -2.073 54.189 56.100 0.270 0.000 1.002 365 R CB 0.672 31.161 30.300 0.314 0.000 1.136 365 R HN 0.093 nan 8.270 nan 0.000 0.509 366 P HA 0.032 nan 4.420 nan 0.000 0.270 366 P C -0.458 176.950 177.300 0.180 0.000 1.223 366 P CA -0.056 63.168 63.100 0.205 0.000 0.785 366 P CB 0.828 32.504 31.700 -0.041 0.000 0.923 367 D N -0.265 120.197 120.400 0.103 0.000 2.423 367 D HA 0.141 4.782 4.640 0.002 0.000 0.208 367 D C 0.452 176.702 176.300 -0.084 0.000 1.068 367 D CA 0.919 54.908 54.000 -0.018 0.000 0.860 367 D CB 0.451 41.303 40.800 0.086 0.000 0.992 367 D HN 0.280 nan 8.370 nan 0.000 0.504 368 M N 1.179 120.782 119.600 0.006 0.000 2.322 368 M HA 0.353 4.834 4.480 0.002 0.000 0.286 368 M C -2.348 173.844 176.300 -0.180 0.000 1.111 368 M CA -0.464 54.754 55.300 -0.138 0.000 0.941 368 M CB 2.547 35.085 32.600 -0.105 0.000 1.671 368 M HN -0.401 nan 8.290 nan 0.000 0.470 369 V N 5.887 125.685 119.914 -0.194 0.000 2.733 369 V HA 0.398 4.520 4.120 0.002 0.000 0.306 369 V C 0.099 176.143 176.094 -0.084 0.000 1.084 369 V CA -0.346 61.769 62.300 -0.309 0.000 0.905 369 V CB 2.230 33.683 31.823 -0.617 0.000 1.010 369 V HN 0.979 nan 8.190 nan 0.000 0.424 370 I N 1.754 122.376 120.570 0.087 0.000 2.685 370 I HA 0.230 4.401 4.170 0.002 0.000 0.251 370 I C 0.685 176.864 176.117 0.103 0.000 1.102 370 I CA 0.634 61.995 61.300 0.102 0.000 1.442 370 I CB 0.466 38.573 38.000 0.179 0.000 1.194 370 I HN 0.584 nan 8.210 nan 0.000 0.448 371 E N 0.784 121.084 120.200 0.167 0.000 2.235 371 E HA 0.184 4.536 4.350 0.002 0.000 0.252 371 E C 0.421 177.124 176.600 0.172 0.000 0.886 371 E CA -0.421 56.050 56.400 0.119 0.000 0.767 371 E CB 1.313 31.071 29.700 0.096 0.000 1.205 371 E HN 0.087 nan 8.360 nan 0.000 0.421 372 M N 4.054 123.694 119.600 0.066 0.000 2.202 372 M HA -0.054 4.427 4.480 0.002 0.000 0.262 372 M C 0.802 177.219 176.300 0.194 0.000 1.063 372 M CA 1.638 56.970 55.300 0.053 0.000 1.097 372 M CB -0.311 32.170 32.600 -0.198 0.000 1.382 372 M HN 0.539 nan 8.290 nan 0.000 0.413 373 N N 0.114 118.859 118.700 0.076 0.000 2.519 373 N HA -0.106 4.635 4.740 0.002 0.000 0.186 373 N C 0.594 176.158 175.510 0.089 0.000 1.062 373 N CA 0.614 53.688 53.050 0.041 0.000 0.910 373 N CB -0.287 38.102 38.487 -0.163 0.000 0.958 373 N HN 0.461 nan 8.380 nan 0.000 0.445 374 N N -0.109 118.631 118.700 0.066 0.000 2.515 374 N HA -0.001 4.740 4.740 0.002 0.000 0.185 374 N C 0.070 175.312 175.510 -0.447 0.000 1.109 374 N CA 0.460 53.403 53.050 -0.178 0.000 0.903 374 N CB 0.007 38.328 38.487 -0.276 0.000 0.969 374 N HN 0.201 nan 8.380 nan 0.000 0.450 375 F N -1.035 118.919 119.950 0.006 0.000 2.708 375 F HA 0.249 4.777 4.527 0.002 0.000 0.300 375 F C -0.293 175.474 175.800 -0.055 0.000 1.118 375 F CA -0.520 57.420 58.000 -0.101 0.000 1.307 375 F CB 0.035 38.901 39.000 -0.223 0.000 0.986 375 F HN -0.117 nan 8.300 nan 0.000 0.522 376 Y N 1.206 121.567 120.300 0.101 0.000 2.736 376 Y HA 0.263 4.814 4.550 0.002 0.000 0.339 376 Y C 0.929 176.864 175.900 0.058 0.000 1.301 376 Y CA -0.983 57.232 58.100 0.190 0.000 1.676 376 Y CB -0.532 37.965 38.460 0.061 0.000 1.725 376 Y HN -0.015 nan 8.280 nan 0.000 0.466 377 T N -3.507 111.212 114.554 0.275 0.000 2.950 377 T HA 0.373 4.724 4.350 0.002 0.000 0.288 377 T C 1.118 175.941 174.700 0.205 0.000 1.035 377 T CA -0.888 61.325 62.100 0.188 0.000 1.028 377 T CB 1.228 70.282 68.868 0.309 0.000 1.109 377 T HN 0.354 nan 8.240 nan 0.000 0.514 378 L N 0.326 121.617 121.223 0.114 0.000 2.089 378 L HA -0.157 4.184 4.340 0.002 0.000 0.213 378 L C 2.945 179.917 176.870 0.170 0.000 1.079 378 L CA 1.715 56.628 54.840 0.122 0.000 0.758 378 L CB -1.163 40.944 42.059 0.080 0.000 0.891 378 L HN 0.842 nan 8.230 nan 0.000 0.433 379 T N -1.090 113.554 114.554 0.151 0.000 2.701 379 T HA -0.130 4.221 4.350 0.002 0.000 0.263 379 T C 1.979 176.782 174.700 0.172 0.000 1.040 379 T CA 1.381 63.533 62.100 0.087 0.000 1.147 379 T CB -0.230 68.506 68.868 -0.220 0.000 0.865 379 T HN 0.048 nan 8.240 nan 0.000 0.426 380 V N 0.161 120.252 119.914 0.295 0.000 2.407 380 V HA -0.146 3.975 4.120 0.002 0.000 0.248 380 V C 2.064 178.254 176.094 0.161 0.000 1.055 380 V CA 1.548 63.993 62.300 0.242 0.000 1.049 380 V CB -0.651 31.331 31.823 0.265 0.000 0.662 380 V HN 0.447 nan 8.190 nan 0.000 0.455 381 Y N 0.569 120.934 120.300 0.108 0.000 2.144 381 Y HA -0.071 4.480 4.550 0.002 0.000 0.279 381 Y C 2.592 178.550 175.900 0.096 0.000 1.099 381 Y CA 1.685 59.852 58.100 0.110 0.000 1.087 381 Y CB -0.612 37.909 38.460 0.102 0.000 1.007 381 Y HN 0.156 nan 8.280 nan 0.000 0.482 382 E N 0.233 120.600 120.200 0.279 0.000 2.047 382 E HA -0.144 4.207 4.350 0.002 0.000 0.191 382 E C 2.101 178.785 176.600 0.140 0.000 0.987 382 E CA 1.280 57.787 56.400 0.177 0.000 0.799 382 E CB -0.134 29.647 29.700 0.135 0.000 0.752 382 E HN 0.233 nan 8.360 nan 0.000 0.449 383 K N -0.045 120.435 120.400 0.134 0.000 2.057 383 K HA -0.090 4.231 4.320 0.002 0.000 0.206 383 K C 2.146 178.758 176.600 0.019 0.000 1.050 383 K CA 1.300 57.645 56.287 0.096 0.000 0.935 383 K CB -0.392 32.175 32.500 0.111 0.000 0.715 383 K HN 0.210 nan 8.250 nan 0.000 0.439 384 G N 0.636 109.453 108.800 0.029 0.000 2.513 384 G HA2 -0.340 3.621 3.960 0.002 0.000 0.219 384 G HA3 -0.340 3.621 3.960 0.002 0.000 0.219 384 G C 1.545 176.433 174.900 -0.020 0.000 1.160 384 G CA 1.200 46.283 45.100 -0.028 0.000 0.767 384 G HN 0.461 nan 8.290 nan 0.000 0.571 385 A N 0.313 123.165 122.820 0.054 0.000 1.929 385 A HA 0.062 4.383 4.320 0.002 0.000 0.216 385 A C 2.231 179.863 177.584 0.080 0.000 1.176 385 A CA 1.786 53.890 52.037 0.112 0.000 0.628 385 A CB -0.237 18.879 19.000 0.193 0.000 0.816 385 A HN 0.296 nan 8.150 nan 0.000 0.444 386 E N 0.144 120.369 120.200 0.042 0.000 2.118 386 E HA -0.138 4.213 4.350 0.002 0.000 0.195 386 E C 2.157 178.658 176.600 -0.165 0.000 0.992 386 E CA 1.337 57.721 56.400 -0.026 0.000 0.804 386 E CB -0.669 29.025 29.700 -0.010 0.000 0.741 386 E HN 0.414 nan 8.360 nan 0.000 0.458 387 V N 1.857 121.645 119.914 -0.210 0.000 2.295 387 V HA -0.236 3.885 4.120 0.002 0.000 0.246 387 V C 2.398 178.472 176.094 -0.034 0.000 1.049 387 V CA 1.212 63.362 62.300 -0.249 0.000 1.024 387 V CB -0.398 31.210 31.823 -0.358 0.000 0.648 387 V HN 0.191 nan 8.190 nan 0.000 0.447 388 I N 0.155 120.684 120.570 -0.069 0.000 2.208 388 I HA -0.255 3.916 4.170 0.002 0.000 0.245 388 I C 2.590 178.476 176.117 -0.385 0.000 1.097 388 I CA 1.845 63.063 61.300 -0.136 0.000 1.363 388 I CB -1.242 36.593 38.000 -0.275 0.000 1.051 388 I HN 0.340 nan 8.210 nan 0.000 0.413 389 R N 0.491 120.773 120.500 -0.363 0.000 2.096 389 R HA -0.138 4.203 4.340 0.002 0.000 0.235 389 R C 2.407 178.635 176.300 -0.120 0.000 1.127 389 R CA 1.255 57.220 56.100 -0.225 0.000 0.968 389 R CB -0.080 30.261 30.300 0.069 0.000 0.861 389 R HN 0.237 nan 8.270 nan 0.000 0.440 390 M N 0.157 119.688 119.600 -0.115 0.000 2.108 390 M HA -0.200 4.282 4.480 0.002 0.000 0.261 390 M C 2.192 178.379 176.300 -0.188 0.000 1.066 390 M CA 1.671 56.915 55.300 -0.094 0.000 1.107 390 M CB -0.284 32.293 32.600 -0.038 0.000 1.356 390 M HN 0.210 nan 8.290 nan 0.000 0.406 391 I N -0.893 119.533 120.570 -0.239 0.000 2.118 391 I HA -0.387 3.784 4.170 0.002 0.000 0.241 391 I C 2.716 178.782 176.117 -0.084 0.000 1.070 391 I CA 1.538 62.662 61.300 -0.294 0.000 1.327 391 I CB -0.966 36.987 38.000 -0.078 0.000 1.034 391 I HN 0.420 nan 8.210 nan 0.000 0.405 392 H N 1.062 120.018 119.070 -0.190 0.000 2.353 392 H HA -0.178 4.379 4.556 0.002 0.000 0.298 392 H C 2.197 177.437 175.328 -0.148 0.000 1.103 392 H CA 2.288 58.157 56.048 -0.298 0.000 1.293 392 H CB -0.022 29.329 29.762 -0.684 0.000 1.372 392 H HN 0.264 nan 8.280 nan 0.000 0.501 393 T N 1.495 116.020 114.554 -0.047 0.000 2.746 393 T HA -0.105 4.246 4.350 0.002 0.000 0.267 393 T C 2.436 177.078 174.700 -0.097 0.000 1.039 393 T CA 1.236 63.305 62.100 -0.051 0.000 1.142 393 T CB -0.247 68.606 68.868 -0.025 0.000 0.866 393 T HN 0.245 nan 8.240 nan 0.000 0.444 394 L N -0.197 120.945 121.223 -0.134 0.000 2.141 394 L HA -0.009 4.332 4.340 0.002 0.000 0.209 394 L C 1.972 178.776 176.870 -0.109 0.000 1.094 394 L CA 0.756 55.521 54.840 -0.126 0.000 0.763 394 L CB -0.216 41.705 42.059 -0.229 0.000 0.908 394 L HN 0.231 nan 8.230 nan 0.000 0.437 395 L N -1.352 119.791 121.223 -0.134 0.000 2.470 395 L HA 0.348 4.689 4.340 0.002 0.000 0.219 395 L C 1.066 177.855 176.870 -0.135 0.000 1.071 395 L CA 0.705 55.479 54.840 -0.109 0.000 0.850 395 L CB -0.400 41.616 42.059 -0.071 0.000 1.040 395 L HN 0.237 nan 8.230 nan 0.000 0.475 396 G N 0.013 108.665 108.800 -0.247 0.000 2.781 396 G HA2 -0.295 3.666 3.960 0.002 0.000 0.683 396 G HA3 -0.295 3.666 3.960 0.002 0.000 0.683 396 G C 0.483 175.170 174.900 -0.356 0.000 1.390 396 G CA 0.201 45.118 45.100 -0.304 0.000 0.850 396 G HN 0.202 nan 8.290 nan 0.000 0.557 397 E N -0.183 119.840 120.200 -0.296 0.000 2.031 397 E HA -0.129 4.222 4.350 0.002 0.000 0.193 397 E C 2.176 178.779 176.600 0.005 0.000 0.994 397 E CA 2.277 58.620 56.400 -0.096 0.000 0.800 397 E CB -0.255 29.473 29.700 0.047 0.000 0.752 397 E HN 0.684 nan 8.360 nan 0.000 0.447 398 E N -0.290 119.892 120.200 -0.030 0.000 2.023 398 E HA -0.250 4.101 4.350 0.002 0.000 0.196 398 E C 1.817 178.403 176.600 -0.024 0.000 1.003 398 E CA 1.484 57.869 56.400 -0.026 0.000 0.809 398 E CB -0.186 29.494 29.700 -0.033 0.000 0.755 398 E HN 0.254 nan 8.360 nan 0.000 0.449 399 N N -0.028 118.651 118.700 -0.035 0.000 2.223 399 N HA -0.154 4.587 4.740 0.002 0.000 0.185 399 N C 1.597 177.081 175.510 -0.044 0.000 1.016 399 N CA 0.799 53.820 53.050 -0.049 0.000 0.863 399 N CB -0.455 37.995 38.487 -0.062 0.000 0.983 399 N HN 0.210 nan 8.380 nan 0.000 0.429 400 F N 2.320 122.185 119.950 -0.142 0.000 2.102 400 F HA -0.166 4.362 4.527 0.001 0.000 0.298 400 F C 2.310 178.077 175.800 -0.055 0.000 1.105 400 F CA 1.368 59.307 58.000 -0.102 0.000 1.239 400 F CB -0.050 38.922 39.000 -0.048 0.000 0.991 400 F HN -0.045 nan 8.300 nan 0.000 0.474 401 Q N 0.824 120.670 119.800 0.076 0.000 2.135 401 Q HA -0.211 4.130 4.340 0.002 0.000 0.204 401 Q C 2.149 178.103 176.000 -0.077 0.000 0.981 401 Q CA 1.688 57.476 55.803 -0.026 0.000 0.856 401 Q CB -0.538 28.168 28.738 -0.054 0.000 0.902 401 Q HN 0.510 nan 8.270 nan 0.000 0.425 402 K N -0.234 120.115 120.400 -0.084 0.000 2.063 402 K HA -0.117 4.204 4.320 0.002 0.000 0.208 402 K C 2.143 178.659 176.600 -0.139 0.000 1.048 402 K CA 1.279 57.512 56.287 -0.090 0.000 0.928 402 K CB -0.374 32.078 32.500 -0.078 0.000 0.713 402 K HN 0.302 nan 8.250 nan 0.000 0.442 403 G N 1.097 109.754 108.800 -0.240 0.000 2.408 403 G HA2 -0.212 3.749 3.960 0.002 0.000 0.217 403 G HA3 -0.212 3.749 3.960 0.002 0.000 0.217 403 G C 1.465 176.151 174.900 -0.357 0.000 1.150 403 G CA 0.467 45.361 45.100 -0.343 0.000 0.776 403 G HN 0.043 nan 8.290 nan 0.000 0.542 404 M N 0.390 119.782 119.600 -0.346 0.000 2.080 404 M HA -0.097 4.384 4.480 0.002 0.000 0.260 404 M C 2.614 178.855 176.300 -0.097 0.000 1.068 404 M CA 1.298 56.475 55.300 -0.204 0.000 1.109 404 M CB -1.322 31.317 32.600 0.065 0.000 1.342 404 M HN 0.327 nan 8.290 nan 0.000 0.405 405 Q N -0.286 119.521 119.800 0.012 0.000 2.084 405 Q HA -0.170 4.171 4.340 0.002 0.000 0.202 405 Q C 2.083 178.112 176.000 0.049 0.000 0.978 405 Q CA 1.135 56.991 55.803 0.087 0.000 0.844 405 Q CB -0.284 28.476 28.738 0.037 0.000 0.898 405 Q HN 0.295 nan 8.270 nan 0.000 0.426 406 L N -0.402 120.810 121.223 -0.018 0.000 2.109 406 L HA -0.150 4.191 4.340 0.002 0.000 0.207 406 L C 2.088 178.965 176.870 0.012 0.000 1.086 406 L CA 1.573 56.401 54.840 -0.021 0.000 0.760 406 L CB -0.656 41.368 42.059 -0.057 0.000 0.910 406 L HN 0.211 nan 8.230 nan 0.000 0.437 407 Y N -0.445 119.762 120.300 -0.156 0.000 2.097 407 Y HA -0.317 4.234 4.550 0.002 0.000 0.282 407 Y C 2.148 178.054 175.900 0.010 0.000 1.152 407 Y CA 1.994 60.038 58.100 -0.094 0.000 1.136 407 Y CB -0.648 37.647 38.460 -0.276 0.000 0.975 407 Y HN 0.208 nan 8.280 nan 0.000 0.498 408 F N 0.667 120.632 119.950 0.024 0.000 2.186 408 F HA -0.101 4.427 4.527 0.002 0.000 0.299 408 F C 2.627 178.413 175.800 -0.022 0.000 1.090 408 F CA 1.649 59.631 58.000 -0.029 0.000 1.307 408 F CB -1.083 37.938 39.000 0.035 0.000 1.019 408 F HN 0.183 nan 8.300 nan 0.000 0.489 409 E N 0.314 120.594 120.200 0.133 0.000 2.077 409 E HA -0.191 4.161 4.350 0.002 0.000 0.193 409 E C 2.343 178.916 176.600 -0.044 0.000 0.989 409 E CA 1.139 57.571 56.400 0.052 0.000 0.800 409 E CB 0.040 29.756 29.700 0.027 0.000 0.746 409 E HN 0.335 nan 8.360 nan 0.000 0.452 410 R N -1.018 119.385 120.500 -0.163 0.000 2.119 410 R HA -0.016 4.325 4.340 0.002 0.000 0.222 410 R C 1.670 177.662 176.300 -0.512 0.000 1.088 410 R CA 1.087 56.950 56.100 -0.396 0.000 0.984 410 R CB 0.061 29.967 30.300 -0.656 0.000 0.884 410 R HN 0.335 nan 8.270 nan 0.000 0.447 411 H N -1.008 118.027 119.070 -0.059 0.000 2.986 411 H HA 0.094 4.651 4.556 0.002 0.000 0.267 411 H C -0.242 175.069 175.328 -0.029 0.000 1.072 411 H CA -0.488 55.508 56.048 -0.086 0.000 1.202 411 H CB 0.219 29.848 29.762 -0.221 0.000 1.535 411 H HN 0.062 nan 8.280 nan 0.000 0.522 412 D N 0.926 121.401 120.400 0.125 0.000 2.531 412 D HA 0.072 4.713 4.640 0.002 0.000 0.239 412 D C 1.463 177.828 176.300 0.108 0.000 1.144 412 D CA 1.807 55.908 54.000 0.169 0.000 0.869 412 D CB 0.333 41.272 40.800 0.231 0.000 1.160 412 D HN 0.612 nan 8.370 nan 0.000 0.484 413 G N 2.187 111.038 108.800 0.084 0.000 2.175 413 G HA2 -0.171 3.790 3.960 0.002 0.000 0.244 413 G HA3 -0.171 3.790 3.960 0.002 0.000 0.244 413 G C 0.215 175.155 174.900 0.068 0.000 0.982 413 G CA 0.554 45.702 45.100 0.080 0.000 0.641 413 G HN 1.201 nan 8.290 nan 0.000 0.527 414 S N -1.254 114.488 115.700 0.069 0.000 2.685 414 S HA 0.898 5.370 4.470 0.002 0.000 0.282 414 S C -0.285 174.344 174.600 0.048 0.000 1.159 414 S CA 0.182 58.421 58.200 0.064 0.000 0.833 414 S CB 1.985 65.238 63.200 0.089 0.000 1.151 414 S HN 1.906 nan 8.310 nan 0.000 0.485 415 A N 0.387 123.225 122.820 0.028 0.000 2.274 415 A HA 0.870 5.191 4.320 0.002 0.000 0.309 415 A C 0.250 177.814 177.584 -0.033 0.000 1.226 415 A CA -0.287 51.746 52.037 -0.006 0.000 0.853 415 A CB 0.127 19.111 19.000 -0.026 0.000 1.146 415 A HN 1.582 nan 8.150 nan 0.000 0.518 416 A N 1.759 124.543 122.820 -0.059 0.000 2.347 416 A HA 0.948 5.269 4.320 0.002 0.000 0.301 416 A C 0.382 177.895 177.584 -0.118 0.000 1.163 416 A CA 0.074 52.033 52.037 -0.130 0.000 0.860 416 A CB 0.879 19.739 19.000 -0.234 0.000 1.367 416 A HN 1.519 nan 8.150 nan 0.000 0.461 417 T N -3.558 110.915 114.554 -0.135 0.000 2.940 417 T HA 0.380 4.731 4.350 0.002 0.000 0.288 417 T C 1.018 175.676 174.700 -0.069 0.000 1.045 417 T CA -0.035 62.002 62.100 -0.105 0.000 1.018 417 T CB 0.649 69.442 68.868 -0.125 0.000 1.151 417 T HN 0.604 nan 8.240 nan 0.000 0.529 418 C N 0.479 119.734 119.300 -0.075 0.000 2.398 418 C HA -0.092 4.369 4.460 0.002 0.000 0.276 418 C C 2.529 177.383 174.990 -0.226 0.000 1.222 418 C CA 1.704 60.635 59.018 -0.145 0.000 1.746 418 C CB -1.441 26.178 27.740 -0.202 0.000 2.039 418 C HN 1.152 nan 8.230 nan 0.000 0.470 419 D N 0.466 120.745 120.400 -0.203 0.000 2.149 419 D HA -0.143 4.498 4.640 0.002 0.000 0.198 419 D C 1.627 177.879 176.300 -0.080 0.000 0.990 419 D CA 1.360 55.266 54.000 -0.157 0.000 0.839 419 D CB -0.202 40.540 40.800 -0.098 0.000 0.948 419 D HN 0.421 nan 8.370 nan 0.000 0.460 420 D N -0.557 119.808 120.400 -0.059 0.000 2.104 420 D HA -0.192 4.449 4.640 0.002 0.000 0.194 420 D C 1.758 178.083 176.300 0.042 0.000 0.994 420 D CA 0.678 54.664 54.000 -0.023 0.000 0.830 420 D CB -0.496 40.143 40.800 -0.269 0.000 0.959 420 D HN 0.315 nan 8.370 nan 0.000 0.452 421 F N 1.611 121.475 119.950 -0.142 0.000 2.102 421 F HA -0.205 4.323 4.527 0.002 0.000 0.298 421 F C 2.234 177.901 175.800 -0.221 0.000 1.105 421 F CA 0.996 58.817 58.000 -0.298 0.000 1.239 421 F CB -0.361 38.342 39.000 -0.494 0.000 0.991 421 F HN -0.228 nan 8.300 nan 0.000 0.474 422 V N 0.373 120.185 119.914 -0.171 0.000 2.287 422 V HA -0.355 3.766 4.120 0.002 0.000 0.248 422 V C 2.370 178.350 176.094 -0.191 0.000 1.053 422 V CA 2.313 64.506 62.300 -0.178 0.000 1.027 422 V CB -0.938 30.855 31.823 -0.049 0.000 0.646 422 V HN 0.394 nan 8.190 nan 0.000 0.447 423 Q N 0.020 119.751 119.800 -0.115 0.000 2.167 423 Q HA -0.073 4.268 4.340 0.002 0.000 0.202 423 Q C 2.119 178.059 176.000 -0.100 0.000 0.970 423 Q CA 1.737 57.498 55.803 -0.071 0.000 0.855 423 Q CB -0.492 28.240 28.738 -0.010 0.000 0.911 423 Q HN 0.627 nan 8.270 nan 0.000 0.438 424 A N -0.119 122.624 122.820 -0.128 0.000 1.933 424 A HA -0.171 4.150 4.320 0.002 0.000 0.218 424 A C 1.954 179.370 177.584 -0.280 0.000 1.175 424 A CA 1.601 53.547 52.037 -0.153 0.000 0.628 424 A CB -0.446 18.501 19.000 -0.087 0.000 0.814 424 A HN 0.393 nan 8.150 nan 0.000 0.444 425 M N -0.887 118.444 119.600 -0.449 0.000 2.156 425 M HA -0.095 4.386 4.480 0.002 0.000 0.264 425 M C 2.080 178.225 176.300 -0.258 0.000 1.067 425 M CA 1.743 56.775 55.300 -0.447 0.000 1.131 425 M CB -1.143 31.108 32.600 -0.581 0.000 1.368 425 M HN 0.706 nan 8.290 nan 0.000 0.416 426 E N 0.536 120.618 120.200 -0.197 0.000 2.047 426 E HA -0.210 4.141 4.350 0.002 0.000 0.191 426 E C 1.361 177.907 176.600 -0.090 0.000 0.987 426 E CA 1.419 57.751 56.400 -0.114 0.000 0.799 426 E CB 0.194 29.854 29.700 -0.068 0.000 0.752 426 E HN 0.353 nan 8.360 nan 0.000 0.449 427 D N 0.147 120.494 120.400 -0.088 0.000 2.144 427 D HA -0.104 4.537 4.640 0.002 0.000 0.200 427 D C 1.742 177.999 176.300 -0.072 0.000 0.978 427 D CA 1.234 55.195 54.000 -0.064 0.000 0.833 427 D CB -0.217 40.552 40.800 -0.052 0.000 0.961 427 D HN 0.293 nan 8.370 nan 0.000 0.470 428 A N 0.660 123.420 122.820 -0.100 0.000 2.014 428 A HA -0.086 4.235 4.320 0.002 0.000 0.218 428 A C 2.251 179.784 177.584 -0.085 0.000 1.163 428 A CA 1.840 53.819 52.037 -0.095 0.000 0.652 428 A CB -0.191 18.732 19.000 -0.128 0.000 0.808 428 A HN 0.301 nan 8.150 nan 0.000 0.449 429 S N -1.618 114.025 115.700 -0.095 0.000 2.497 429 S HA 0.061 4.532 4.470 0.002 0.000 0.218 429 S C 0.666 175.233 174.600 -0.055 0.000 1.023 429 S CA 0.648 58.800 58.200 -0.080 0.000 0.913 429 S CB -0.513 62.626 63.200 -0.101 0.000 0.800 429 S HN 0.615 nan 8.310 nan 0.000 0.505 430 N N 0.007 118.678 118.700 -0.049 0.000 2.753 430 N HA -0.128 4.613 4.740 0.002 0.000 0.251 430 N C -0.843 174.656 175.510 -0.019 0.000 1.097 430 N CA 0.664 53.697 53.050 -0.029 0.000 0.786 430 N CB -1.747 36.727 38.487 -0.022 0.000 1.137 430 N HN 0.363 nan 8.380 nan 0.000 0.566 431 V N 0.915 120.811 119.914 -0.030 0.000 2.461 431 V HA 0.130 4.251 4.120 0.002 0.000 0.275 431 V C 0.501 176.600 176.094 0.007 0.000 1.047 431 V CA -0.404 61.889 62.300 -0.011 0.000 0.955 431 V CB 1.386 33.187 31.823 -0.037 0.000 0.988 431 V HN 0.133 nan 8.190 nan 0.000 0.471 432 D N 4.636 125.069 120.400 0.054 0.000 2.339 432 D HA 0.183 4.824 4.640 0.002 0.000 0.256 432 D C 0.380 176.770 176.300 0.150 0.000 1.214 432 D CA 0.188 54.239 54.000 0.086 0.000 0.877 432 D CB 0.825 41.683 40.800 0.095 0.000 1.111 432 D HN 0.462 nan 8.370 nan 0.000 0.478 433 L N 2.981 124.285 121.223 0.135 0.000 2.910 433 L HA 0.083 4.425 4.340 0.002 0.000 0.252 433 L C 1.915 178.965 176.870 0.299 0.000 1.195 433 L CA -0.156 54.815 54.840 0.217 0.000 1.003 433 L CB 0.058 42.171 42.059 0.090 0.000 1.328 433 L HN 0.345 nan 8.230 nan 0.000 0.540 434 S N -1.792 114.051 115.700 0.239 0.000 2.383 434 S HA -0.235 4.236 4.470 0.002 0.000 0.227 434 S C 1.837 176.613 174.600 0.293 0.000 1.026 434 S CA 1.093 59.421 58.200 0.213 0.000 0.981 434 S CB -0.448 62.834 63.200 0.135 0.000 0.818 434 S HN 0.577 nan 8.310 nan 0.000 0.472 435 H N -0.105 119.097 119.070 0.220 0.000 2.326 435 H HA -0.041 4.516 4.556 0.002 0.000 0.301 435 H C 1.983 177.479 175.328 0.280 0.000 1.081 435 H CA 1.204 57.376 56.048 0.206 0.000 1.334 435 H CB -0.256 29.615 29.762 0.182 0.000 1.385 435 H HN 0.426 nan 8.280 nan 0.000 0.504 436 F N 2.012 122.147 119.950 0.308 0.000 2.147 436 F HA -0.236 4.293 4.527 0.002 0.000 0.301 436 F C 2.436 178.456 175.800 0.366 0.000 1.084 436 F CA 1.501 59.675 58.000 0.291 0.000 1.268 436 F CB -0.192 38.937 39.000 0.214 0.000 1.009 436 F HN 0.048 nan 8.300 nan 0.000 0.486 437 R N -0.280 120.466 120.500 0.409 0.000 2.211 437 R HA -0.215 4.126 4.340 0.002 0.000 0.240 437 R C 2.298 178.761 176.300 0.272 0.000 1.144 437 R CA 1.280 57.598 56.100 0.364 0.000 0.992 437 R CB -0.441 29.999 30.300 0.233 0.000 0.869 437 R HN 0.310 nan 8.270 nan 0.000 0.462 438 R N -0.027 120.548 120.500 0.126 0.000 2.159 438 R HA -0.179 4.162 4.340 0.002 0.000 0.237 438 R C 1.301 177.560 176.300 -0.067 0.000 1.131 438 R CA 1.507 57.615 56.100 0.013 0.000 0.982 438 R CB -0.174 30.100 30.300 -0.043 0.000 0.868 438 R HN 0.308 nan 8.270 nan 0.000 0.453 439 W N -0.618 120.564 121.300 -0.197 0.000 2.364 439 W HA -0.188 4.472 4.660 0.002 0.000 0.281 439 W C 1.455 177.832 176.519 -0.236 0.000 1.219 439 W CA 0.744 57.908 57.345 -0.302 0.000 1.220 439 W CB -0.228 28.861 29.460 -0.619 0.000 1.127 439 W HN 0.175 nan 8.180 nan 0.000 0.556 440 Y N -0.450 119.932 120.300 0.137 0.000 2.373 440 Y HA -0.169 4.382 4.550 0.002 0.000 0.293 440 Y C 2.457 178.419 175.900 0.104 0.000 1.129 440 Y CA 1.522 59.697 58.100 0.124 0.000 1.226 440 Y CB -0.438 38.093 38.460 0.119 0.000 1.000 440 Y HN -0.082 nan 8.280 nan 0.000 0.549 441 S N -1.758 114.065 115.700 0.205 0.000 2.578 441 S HA 0.134 4.605 4.470 0.002 0.000 0.228 441 S C 0.325 174.978 174.600 0.088 0.000 1.022 441 S CA -0.574 57.712 58.200 0.144 0.000 0.967 441 S CB 0.203 63.478 63.200 0.126 0.000 0.914 441 S HN 0.318 nan 8.310 nan 0.000 0.515 442 Q N 2.442 122.270 119.800 0.046 0.000 2.322 442 Q HA 0.580 4.921 4.340 0.002 0.000 0.265 442 Q C -0.364 175.647 176.000 0.017 0.000 0.985 442 Q CA -0.512 55.293 55.803 0.004 0.000 0.849 442 Q CB 1.580 30.270 28.738 -0.080 0.000 1.274 442 Q HN 0.457 nan 8.270 nan 0.000 0.449 443 S N 2.387 118.108 115.700 0.034 0.000 2.713 443 S HA 0.935 5.406 4.470 0.002 0.000 0.277 443 S C 0.296 174.899 174.600 0.006 0.000 1.168 443 S CA 0.016 58.238 58.200 0.036 0.000 0.994 443 S CB 1.208 64.448 63.200 0.066 0.000 1.054 443 S HN 1.226 nan 8.310 nan 0.000 0.555 444 G N -0.240 108.563 108.800 0.005 0.000 2.733 444 G HA2 0.005 3.966 3.960 0.002 0.000 0.686 444 G HA3 0.005 3.966 3.960 0.002 0.000 0.686 444 G C -0.515 174.357 174.900 -0.046 0.000 1.373 444 G CA -0.494 44.593 45.100 -0.021 0.000 0.838 444 G HN 1.113 nan 8.290 nan 0.000 0.588 445 T N 3.887 118.370 114.554 -0.119 0.000 2.744 445 T HA 0.600 4.951 4.350 0.002 0.000 0.291 445 T C -2.105 172.503 174.700 -0.154 0.000 0.957 445 T CA -0.703 61.268 62.100 -0.215 0.000 1.002 445 T CB 1.731 70.222 68.868 -0.628 0.000 0.919 445 T HN 0.540 nan 8.240 nan 0.000 0.468 446 P HA 0.311 nan 4.420 nan 0.000 0.271 446 P C -0.611 176.673 177.300 -0.027 0.000 1.218 446 P CA -0.386 62.679 63.100 -0.058 0.000 0.780 446 P CB 0.461 32.134 31.700 -0.046 0.000 0.901 447 I N 1.890 122.454 120.570 -0.011 0.000 2.355 447 I HA 0.245 4.416 4.170 0.002 0.000 0.288 447 I C -0.370 175.778 176.117 0.051 0.000 0.999 447 I CA -0.946 60.370 61.300 0.027 0.000 1.163 447 I CB 1.566 39.572 38.000 0.010 0.000 1.316 447 I HN -0.060 nan 8.210 nan 0.000 0.454 448 V N 5.345 125.322 119.914 0.105 0.000 2.350 448 V HA 0.300 4.421 4.120 0.002 0.000 0.276 448 V C 0.236 176.383 176.094 0.088 0.000 1.028 448 V CA -0.334 62.020 62.300 0.091 0.000 0.860 448 V CB 1.357 33.273 31.823 0.156 0.000 0.990 448 V HN 0.707 nan 8.190 nan 0.000 0.453 449 T N 4.989 119.562 114.554 0.032 0.000 2.767 449 T HA 0.561 4.912 4.350 0.002 0.000 0.284 449 T C -0.233 174.477 174.700 0.017 0.000 0.973 449 T CA -0.320 61.803 62.100 0.038 0.000 0.996 449 T CB 1.459 70.336 68.868 0.015 0.000 0.927 449 T HN 0.347 nan 8.240 nan 0.000 0.456 450 V N 4.556 124.515 119.914 0.076 0.000 2.448 450 V HA 0.481 4.602 4.120 0.002 0.000 0.295 450 V C -0.065 176.116 176.094 0.145 0.000 1.025 450 V CA -0.890 61.466 62.300 0.094 0.000 0.859 450 V CB 1.653 33.551 31.823 0.124 0.000 0.988 450 V HN 0.733 nan 8.190 nan 0.000 0.431 451 K N 3.512 123.951 120.400 0.066 0.000 2.259 451 K HA 0.648 4.969 4.320 0.002 0.000 0.252 451 K C -1.231 175.387 176.600 0.030 0.000 0.936 451 K CA -0.784 55.519 56.287 0.027 0.000 0.810 451 K CB 2.038 34.525 32.500 -0.023 0.000 1.143 451 K HN 0.902 nan 8.250 nan 0.000 0.427 452 D N 0.536 120.958 120.400 0.036 0.000 2.477 452 D HA 0.416 5.057 4.640 0.002 0.000 0.234 452 D C -1.269 174.993 176.300 -0.062 0.000 1.048 452 D CA -0.608 53.354 54.000 -0.064 0.000 0.959 452 D CB 1.912 42.713 40.800 0.002 0.000 1.408 452 D HN 0.399 nan 8.370 nan 0.000 0.496 453 D N -1.005 119.302 120.400 -0.155 0.000 2.990 453 D HA 0.329 4.970 4.640 0.002 0.000 0.227 453 D C -2.047 174.317 176.300 0.107 0.000 1.249 453 D CA -0.567 53.424 54.000 -0.015 0.000 0.891 453 D CB 1.290 42.063 40.800 -0.044 0.000 1.647 453 D HN 0.331 nan 8.370 nan 0.000 0.530 454 Y N 3.451 123.808 120.300 0.094 0.000 2.335 454 Y HA 0.524 5.075 4.550 0.002 0.000 0.338 454 Y C -0.974 174.960 175.900 0.055 0.000 0.977 454 Y CA -0.954 57.236 58.100 0.149 0.000 1.114 454 Y CB 1.226 39.779 38.460 0.154 0.000 1.182 454 Y HN 0.332 nan 8.280 nan 0.000 0.463 455 N N 8.638 126.965 118.700 -0.621 0.000 2.546 455 N HA 0.282 5.023 4.740 0.002 0.000 0.238 455 N C -2.145 172.935 175.510 -0.717 0.000 0.984 455 N CA -2.438 50.315 53.050 -0.496 0.000 0.935 455 N CB 1.602 39.937 38.487 -0.254 0.000 1.122 455 N HN 0.418 nan 8.380 nan 0.000 0.510 456 P HA -0.144 nan 4.420 nan 0.000 0.218 456 P C 0.918 178.124 177.300 -0.157 0.000 1.149 456 P CA 1.021 63.948 63.100 -0.288 0.000 0.817 456 P CB 0.629 32.292 31.700 -0.062 0.000 0.785 457 E N 0.156 120.272 120.200 -0.140 0.000 2.150 457 E HA -0.111 4.240 4.350 0.002 0.000 0.193 457 E C 1.261 177.818 176.600 -0.071 0.000 0.985 457 E CA 1.798 58.150 56.400 -0.079 0.000 0.814 457 E CB -0.074 29.587 29.700 -0.066 0.000 0.752 457 E HN 0.281 nan 8.360 nan 0.000 0.466 458 T N -2.751 111.739 114.554 -0.107 0.000 3.054 458 T HA 0.168 4.519 4.350 0.002 0.000 0.255 458 T C 0.109 174.780 174.700 -0.049 0.000 1.035 458 T CA 0.041 62.102 62.100 -0.065 0.000 0.941 458 T CB 0.170 69.001 68.868 -0.060 0.000 1.026 458 T HN 0.184 nan 8.240 nan 0.000 0.533 459 E N 1.183 121.318 120.200 -0.107 0.000 2.360 459 E HA -0.191 4.160 4.350 0.002 0.000 0.238 459 E C -0.638 175.993 176.600 0.053 0.000 1.186 459 E CA 0.314 56.701 56.400 -0.021 0.000 0.719 459 E CB -1.489 28.282 29.700 0.118 0.000 1.236 459 E HN 0.724 nan 8.360 nan 0.000 0.386 460 Q N 0.117 119.886 119.800 -0.052 0.000 2.337 460 Q HA 0.503 4.844 4.340 0.002 0.000 0.266 460 Q C -0.975 175.136 176.000 0.184 0.000 1.023 460 Q CA -0.707 55.150 55.803 0.090 0.000 0.829 460 Q CB 1.725 30.481 28.738 0.029 0.000 1.306 460 Q HN 0.247 nan 8.270 nan 0.000 0.449 461 Y N 1.153 121.595 120.300 0.237 0.000 2.341 461 Y HA 0.398 4.949 4.550 0.002 0.000 0.337 461 Y C -0.916 175.169 175.900 0.308 0.000 1.014 461 Y CA -0.311 57.976 58.100 0.312 0.000 1.111 461 Y CB 1.560 40.228 38.460 0.347 0.000 1.194 461 Y HN 0.462 nan 8.280 nan 0.000 0.462 462 T N 7.639 122.058 114.554 -0.226 0.000 2.809 462 T HA 0.490 4.841 4.350 0.002 0.000 0.284 462 T C -0.758 173.754 174.700 -0.313 0.000 0.992 462 T CA -0.611 61.389 62.100 -0.168 0.000 0.957 462 T CB 0.625 69.429 68.868 -0.105 0.000 0.942 462 T HN 0.509 nan 8.240 nan 0.000 0.439 463 L N 3.147 124.330 121.223 -0.067 0.000 2.282 463 L HA 0.459 4.800 4.340 0.002 0.000 0.288 463 L C 0.226 177.148 176.870 0.086 0.000 1.033 463 L CA -0.675 54.171 54.840 0.010 0.000 0.807 463 L CB 1.357 43.527 42.059 0.184 0.000 1.209 463 L HN 0.595 nan 8.230 nan 0.000 0.423 464 T N 4.881 119.449 114.554 0.023 0.000 2.801 464 T HA 0.532 4.883 4.350 0.002 0.000 0.306 464 T C -0.001 174.711 174.700 0.019 0.000 1.020 464 T CA -0.191 61.919 62.100 0.018 0.000 0.948 464 T CB 0.318 69.172 68.868 -0.024 0.000 0.962 464 T HN 0.263 nan 8.240 nan 0.000 0.465 465 I N 3.469 124.069 120.570 0.049 0.000 2.377 465 I HA 0.455 4.626 4.170 0.002 0.000 0.293 465 I C 0.553 176.658 176.117 -0.019 0.000 0.987 465 I CA -0.588 60.692 61.300 -0.034 0.000 1.185 465 I CB 1.538 39.459 38.000 -0.132 0.000 1.341 465 I HN 0.588 nan 8.210 nan 0.000 0.455 466 S N 5.075 120.752 115.700 -0.039 0.000 2.638 466 S HA 0.798 5.269 4.470 0.002 0.000 0.302 466 S C -0.941 173.647 174.600 -0.021 0.000 1.096 466 S CA -0.857 57.329 58.200 -0.023 0.000 0.953 466 S CB 2.127 65.316 63.200 -0.019 0.000 1.107 466 S HN 0.662 nan 8.310 nan 0.000 0.503 467 Q N -0.149 119.644 119.800 -0.012 0.000 2.379 467 Q HA 0.740 5.081 4.340 0.002 0.000 0.278 467 Q C -1.382 174.607 176.000 -0.019 0.000 1.068 467 Q CA -1.133 54.665 55.803 -0.009 0.000 0.816 467 Q CB 2.023 30.759 28.738 -0.004 0.000 1.387 467 Q HN 0.902 nan 8.270 nan 0.000 0.413 468 R N 0.065 120.551 120.500 -0.023 0.000 2.584 468 R HA 0.627 4.968 4.340 0.002 0.000 0.276 468 R C -1.477 174.796 176.300 -0.045 0.000 1.046 468 R CA -0.710 55.370 56.100 -0.032 0.000 0.906 468 R CB 2.094 32.380 30.300 -0.022 0.000 1.215 468 R HN 0.551 nan 8.270 nan 0.000 0.449 469 T N 4.411 118.930 114.554 -0.058 0.000 2.772 469 T HA 0.388 4.739 4.350 0.002 0.000 0.288 469 T C -2.453 172.220 174.700 -0.045 0.000 0.994 469 T CA -1.561 60.499 62.100 -0.065 0.000 0.951 469 T CB 1.559 70.371 68.868 -0.093 0.000 0.933 469 T HN 0.434 nan 8.240 nan 0.000 0.447 470 P HA 0.293 nan 4.420 nan 0.000 0.269 470 P C -0.362 176.928 177.300 -0.016 0.000 1.209 470 P CA -0.513 62.573 63.100 -0.022 0.000 0.776 470 P CB 0.339 32.028 31.700 -0.018 0.000 0.876 471 A N 2.478 125.295 122.820 -0.006 0.000 2.507 471 A HA 0.435 4.756 4.320 0.002 0.000 0.235 471 A C 0.633 178.224 177.584 0.013 0.000 1.070 471 A CA 0.465 52.504 52.037 0.004 0.000 0.768 471 A CB -0.688 18.318 19.000 0.009 0.000 1.011 471 A HN 0.652 nan 8.150 nan 0.000 0.502 472 T N -0.619 113.950 114.554 0.024 0.000 2.942 472 T HA 0.605 4.956 4.350 0.002 0.000 0.289 472 T C -2.224 172.506 174.700 0.050 0.000 1.044 472 T CA -1.668 60.454 62.100 0.037 0.000 1.023 472 T CB 1.381 70.275 68.868 0.044 0.000 1.123 472 T HN 0.266 nan 8.240 nan 0.000 0.512 473 P HA -0.130 nan 4.420 nan 0.000 0.217 473 P C 1.125 178.472 177.300 0.078 0.000 1.148 473 P CA 1.224 64.363 63.100 0.064 0.000 0.828 473 P CB 0.033 31.773 31.700 0.068 0.000 0.783 474 D N -2.169 118.287 120.400 0.093 0.000 2.354 474 D HA -0.031 4.610 4.640 0.002 0.000 0.209 474 D C 0.454 176.813 176.300 0.098 0.000 1.015 474 D CA 0.497 54.566 54.000 0.114 0.000 0.867 474 D CB 0.065 40.956 40.800 0.151 0.000 0.933 474 D HN 0.229 nan 8.370 nan 0.000 0.520 475 Q N -0.227 119.617 119.800 0.074 0.000 2.374 475 Q HA 0.505 4.846 4.340 0.002 0.000 0.250 475 Q C -0.287 175.736 176.000 0.039 0.000 0.918 475 Q CA -0.394 55.444 55.803 0.058 0.000 0.778 475 Q CB 2.233 31.004 28.738 0.055 0.000 1.328 475 Q HN 0.081 nan 8.270 nan 0.000 0.445 476 A N 2.240 125.080 122.820 0.034 0.000 2.014 476 A HA -0.055 4.266 4.320 0.002 0.000 0.218 476 A C 0.698 178.289 177.584 0.013 0.000 1.163 476 A CA 1.048 53.099 52.037 0.023 0.000 0.652 476 A CB 0.273 19.286 19.000 0.022 0.000 0.808 476 A HN 0.568 nan 8.150 nan 0.000 0.449 477 E N 0.652 120.859 120.200 0.012 0.000 2.191 477 E HA 0.394 4.745 4.350 0.002 0.000 0.278 477 E C -1.016 175.581 176.600 -0.004 0.000 0.972 477 E CA -0.483 55.919 56.400 0.003 0.000 0.804 477 E CB 0.633 30.335 29.700 0.003 0.000 1.110 477 E HN 0.085 nan 8.360 nan 0.000 0.394 478 K N 2.762 123.152 120.400 -0.015 0.000 2.477 478 K HA 0.426 4.747 4.320 0.002 0.000 0.255 478 K C -0.722 175.857 176.600 -0.036 0.000 0.952 478 K CA -0.746 55.523 56.287 -0.031 0.000 0.826 478 K CB 2.245 34.722 32.500 -0.038 0.000 1.331 478 K HN 0.550 nan 8.250 nan 0.000 0.437 479 Q N 0.957 120.728 119.800 -0.050 0.000 2.451 479 Q HA 0.459 4.800 4.340 0.002 0.000 0.281 479 Q C -2.467 173.502 176.000 -0.051 0.000 1.099 479 Q CA -2.105 53.675 55.803 -0.039 0.000 0.806 479 Q CB 2.510 31.234 28.738 -0.023 0.000 1.419 479 Q HN 0.276 nan 8.270 nan 0.000 0.427 480 P HA 0.074 nan 4.420 nan 0.000 0.269 480 P C -0.893 176.421 177.300 0.024 0.000 1.209 480 P CA 0.241 63.340 63.100 -0.002 0.000 0.776 480 P CB 0.633 32.361 31.700 0.047 0.000 0.876 481 L N 1.090 122.198 121.223 -0.192 0.000 2.335 481 L HA 0.393 4.734 4.340 0.002 0.000 0.268 481 L C 0.993 177.601 176.870 -0.436 0.000 1.016 481 L CA -0.958 53.568 54.840 -0.524 0.000 0.805 481 L CB 0.778 42.184 42.059 -1.088 0.000 1.311 481 L HN 0.481 nan 8.230 nan 0.000 0.456 482 H N 1.697 120.372 119.070 -0.658 0.000 2.820 482 H HA 0.424 4.981 4.556 0.002 0.000 0.278 482 H C -0.946 174.566 175.328 0.306 0.000 1.142 482 H CA -0.577 55.363 56.048 -0.180 0.000 1.346 482 H CB 0.422 30.137 29.762 -0.078 0.000 1.438 482 H HN 0.342 nan 8.280 nan 0.000 0.473 483 I N 8.403 129.296 120.570 0.537 0.000 2.359 483 I HA 0.225 4.396 4.170 0.002 0.000 0.284 483 I C -2.370 174.016 176.117 0.448 0.000 1.018 483 I CA -2.332 59.274 61.300 0.510 0.000 1.173 483 I CB 1.596 39.835 38.000 0.398 0.000 1.326 483 I HN 0.523 nan 8.210 nan 0.000 0.462 484 P HA 0.117 nan 4.420 nan 0.000 0.276 484 P C -0.834 176.599 177.300 0.221 0.000 1.264 484 P CA 0.031 63.275 63.100 0.239 0.000 0.769 484 P CB 0.180 31.941 31.700 0.102 0.000 0.840 485 F N 3.742 123.727 119.950 0.058 0.000 2.443 485 F HA 0.582 5.109 4.527 0.002 0.000 0.369 485 F C -0.147 175.650 175.800 -0.003 0.000 1.090 485 F CA -0.838 57.175 58.000 0.021 0.000 1.129 485 F CB 0.592 39.590 39.000 -0.004 0.000 1.367 485 F HN 0.288 nan 8.300 nan 0.000 0.465 486 A N 7.087 129.782 122.820 -0.209 0.000 2.409 486 A HA 0.626 4.947 4.320 0.002 0.000 0.262 486 A C -0.324 177.169 177.584 -0.153 0.000 1.113 486 A CA -0.336 51.631 52.037 -0.116 0.000 0.790 486 A CB -0.047 18.903 19.000 -0.084 0.000 1.046 486 A HN 0.834 nan 8.150 nan 0.000 0.496 487 I N -1.072 119.472 120.570 -0.045 0.000 2.892 487 I HA 0.873 5.044 4.170 0.002 0.000 0.306 487 I C -0.579 175.505 176.117 -0.055 0.000 1.078 487 I CA -0.802 60.481 61.300 -0.028 0.000 1.032 487 I CB 2.332 40.338 38.000 0.011 0.000 1.229 487 I HN 0.608 nan 8.210 nan 0.000 0.435 488 E N 3.759 123.930 120.200 -0.048 0.000 2.340 488 E HA 0.630 4.981 4.350 0.002 0.000 0.273 488 E C -1.636 174.833 176.600 -0.218 0.000 0.891 488 E CA -0.806 55.496 56.400 -0.164 0.000 0.757 488 E CB 3.139 32.748 29.700 -0.151 0.000 1.231 488 E HN 0.498 nan 8.360 nan 0.000 0.439 489 L N 2.644 123.628 121.223 -0.398 0.000 2.341 489 L HA 0.513 4.854 4.340 0.002 0.000 0.278 489 L C -1.241 175.357 176.870 -0.454 0.000 1.005 489 L CA -0.876 53.746 54.840 -0.363 0.000 0.818 489 L CB 0.805 42.609 42.059 -0.426 0.000 1.259 489 L HN 0.498 nan 8.230 nan 0.000 0.418 490 Y N 0.772 121.021 120.300 -0.085 0.000 2.377 490 Y HA 0.264 4.815 4.550 0.002 0.000 0.339 490 Y C 0.339 176.197 175.900 -0.071 0.000 1.011 490 Y CA -0.971 57.137 58.100 0.014 0.000 1.093 490 Y CB 1.493 40.111 38.460 0.262 0.000 1.201 490 Y HN 0.625 nan 8.280 nan 0.000 0.455 491 D N 0.315 120.756 120.400 0.069 0.000 2.440 491 D HA -0.023 4.618 4.640 0.002 0.000 0.269 491 D C 0.780 177.044 176.300 -0.061 0.000 1.249 491 D CA -0.448 53.530 54.000 -0.037 0.000 1.055 491 D CB 0.378 41.169 40.800 -0.015 0.000 1.104 491 D HN 0.540 nan 8.370 nan 0.000 0.561 492 N N -0.299 118.160 118.700 -0.401 0.000 2.520 492 N HA -0.156 4.585 4.740 0.002 0.000 0.185 492 N C 0.504 175.940 175.510 -0.124 0.000 1.068 492 N CA 0.695 53.526 53.050 -0.365 0.000 0.911 492 N CB -0.217 37.779 38.487 -0.818 0.000 0.961 492 N HN 0.480 nan 8.380 nan 0.000 0.446 493 E N -0.257 119.868 120.200 -0.125 0.000 2.474 493 E HA 0.119 4.470 4.350 0.002 0.000 0.195 493 E C 0.745 177.208 176.600 -0.228 0.000 1.039 493 E CA 0.399 56.723 56.400 -0.127 0.000 0.881 493 E CB 0.083 29.738 29.700 -0.075 0.000 0.970 493 E HN 0.536 nan 8.360 nan 0.000 0.486 494 G N 2.217 110.924 108.800 -0.154 0.000 2.136 494 G HA2 -0.296 3.665 3.960 0.002 0.000 0.242 494 G HA3 -0.296 3.665 3.960 0.002 0.000 0.242 494 G C 0.104 175.120 174.900 0.194 0.000 0.989 494 G CA 0.357 45.345 45.100 -0.186 0.000 0.682 494 G HN 0.182 nan 8.290 nan 0.000 0.522 495 K N -0.281 120.222 120.400 0.173 0.000 2.098 495 K HA 0.605 4.926 4.320 0.002 0.000 0.258 495 K C 0.464 177.116 176.600 0.085 0.000 0.973 495 K CA -0.828 55.544 56.287 0.142 0.000 0.898 495 K CB 2.135 34.695 32.500 0.100 0.000 1.057 495 K HN 0.013 nan 8.250 nan 0.000 0.447 496 V N 4.111 124.008 119.914 -0.029 0.000 2.530 496 V HA 0.162 4.283 4.120 0.002 0.000 0.282 496 V C 0.277 176.308 176.094 -0.105 0.000 1.048 496 V CA -0.452 61.701 62.300 -0.244 0.000 0.997 496 V CB 0.605 32.281 31.823 -0.246 0.000 0.987 496 V HN 0.576 nan 8.190 nan 0.000 0.477 497 I N 7.126 127.592 120.570 -0.173 0.000 2.352 497 I HA 0.251 4.422 4.170 0.002 0.000 0.290 497 I C -2.048 174.028 176.117 -0.069 0.000 1.036 497 I CA -1.697 59.545 61.300 -0.098 0.000 1.336 497 I CB 1.064 38.891 38.000 -0.288 0.000 1.407 497 I HN 0.427 nan 8.210 nan 0.000 0.497 498 P HA 0.064 nan 4.420 nan 0.000 0.261 498 P C -0.626 176.699 177.300 0.042 0.000 1.183 498 P CA 0.104 63.227 63.100 0.039 0.000 0.761 498 P CB 0.324 32.075 31.700 0.085 0.000 0.785 499 L N 4.811 126.053 121.223 0.031 0.000 2.331 499 L HA 0.356 4.697 4.340 0.002 0.000 0.278 499 L C 0.824 177.816 176.870 0.204 0.000 1.106 499 L CA 0.138 55.039 54.840 0.100 0.000 0.824 499 L CB 0.205 42.298 42.059 0.057 0.000 1.142 499 L HN 0.544 nan 8.230 nan 0.000 0.443 500 Q N 2.959 122.937 119.800 0.297 0.000 2.647 500 Q HA 0.571 4.912 4.340 0.002 0.000 0.283 500 Q C -1.624 174.519 176.000 0.239 0.000 0.943 500 Q CA -1.193 54.753 55.803 0.238 0.000 0.813 500 Q CB 2.485 31.320 28.738 0.162 0.000 1.477 500 Q HN 0.413 nan 8.270 nan 0.000 0.393 501 K N -0.051 120.451 120.400 0.171 0.000 2.535 501 K HA 0.496 4.817 4.320 0.002 0.000 0.251 501 K C -0.025 176.637 176.600 0.104 0.000 0.942 501 K CA -0.039 56.316 56.287 0.112 0.000 0.798 501 K CB 1.681 34.212 32.500 0.051 0.000 1.267 501 K HN 1.115 nan 8.250 nan 0.000 0.434 502 G N 2.230 111.071 108.800 0.067 0.000 2.379 502 G HA2 -0.240 3.721 3.960 0.002 0.000 0.297 502 G HA3 -0.240 3.721 3.960 0.002 0.000 0.297 502 G C 0.766 175.662 174.900 -0.008 0.000 1.004 502 G CA 1.053 46.182 45.100 0.049 0.000 0.921 502 G HN 1.500 nan 8.290 nan 0.000 0.511 503 G N -2.239 106.536 108.800 -0.040 0.000 2.176 503 G HA2 -0.219 3.742 3.960 0.002 0.000 0.253 503 G HA3 -0.219 3.742 3.960 0.002 0.000 0.253 503 G C 0.078 174.789 174.900 -0.314 0.000 0.979 503 G CA 0.941 45.937 45.100 -0.174 0.000 0.641 503 G HN 1.399 nan 8.290 nan 0.000 0.530 504 H N 0.502 119.607 119.070 0.057 0.000 2.538 504 H HA 0.518 5.075 4.556 0.001 0.000 0.353 504 H C -2.395 172.980 175.328 0.078 0.000 1.109 504 H CA -1.930 54.153 56.048 0.058 0.000 1.192 504 H CB 2.065 31.857 29.762 0.049 0.000 1.555 504 H HN 0.098 nan 8.280 nan 0.000 0.518 505 P HA -0.003 nan 4.420 nan 0.000 0.269 505 P C -0.813 176.589 177.300 0.169 0.000 1.217 505 P CA -0.113 63.083 63.100 0.161 0.000 0.783 505 P CB 0.768 32.541 31.700 0.122 0.000 0.898 506 V N 2.394 122.415 119.914 0.179 0.000 2.656 506 V HA 0.264 4.385 4.120 0.002 0.000 0.307 506 V C 0.191 176.390 176.094 0.174 0.000 1.051 506 V CA -0.879 61.543 62.300 0.203 0.000 0.893 506 V CB 1.863 33.867 31.823 0.302 0.000 0.999 506 V HN 0.567 nan 8.190 nan 0.000 0.426 507 N N 2.103 120.894 118.700 0.152 0.000 2.492 507 N HA -0.006 4.735 4.740 0.002 0.000 0.262 507 N C 1.311 176.897 175.510 0.127 0.000 1.202 507 N CA 0.692 53.812 53.050 0.117 0.000 0.926 507 N CB 1.620 40.169 38.487 0.103 0.000 1.078 507 N HN 0.824 nan 8.380 nan 0.000 0.454 508 S N 1.647 117.393 115.700 0.078 0.000 2.522 508 S HA -0.017 4.454 4.470 0.002 0.000 0.227 508 S C 0.774 175.406 174.600 0.053 0.000 0.986 508 S CA -0.017 58.211 58.200 0.048 0.000 0.929 508 S CB 0.003 63.202 63.200 -0.001 0.000 0.769 508 S HN 0.288 nan 8.310 nan 0.000 0.529 509 V N 3.808 123.761 119.914 0.066 0.000 2.356 509 V HA 0.300 4.421 4.120 0.002 0.000 0.258 509 V C 0.072 176.234 176.094 0.113 0.000 1.065 509 V CA -0.345 62.000 62.300 0.075 0.000 0.935 509 V CB -0.029 31.831 31.823 0.061 0.000 1.061 509 V HN 0.441 nan 8.190 nan 0.000 0.484 510 L N 4.593 125.877 121.223 0.102 0.000 2.371 510 L HA 0.418 4.760 4.340 0.002 0.000 0.272 510 L C 0.593 177.556 176.870 0.155 0.000 1.124 510 L CA -0.340 54.517 54.840 0.028 0.000 0.816 510 L CB 0.506 42.340 42.059 -0.375 0.000 1.129 510 L HN 0.517 nan 8.230 nan 0.000 0.448 511 N N 2.492 121.345 118.700 0.256 0.000 2.602 511 N HA 0.123 4.864 4.740 0.002 0.000 0.238 511 N C -0.667 175.056 175.510 0.354 0.000 1.084 511 N CA -0.128 53.115 53.050 0.323 0.000 0.952 511 N CB 1.435 40.066 38.487 0.241 0.000 1.244 511 N HN 0.250 nan 8.380 nan 0.000 0.512 512 V N 2.522 122.631 119.914 0.324 0.000 2.313 512 V HA 0.071 4.192 4.120 0.002 0.000 0.252 512 V C 1.522 177.749 176.094 0.220 0.000 1.112 512 V CA 0.090 62.559 62.300 0.283 0.000 0.984 512 V CB 0.005 31.919 31.823 0.153 0.000 1.157 512 V HN 0.644 nan 8.190 nan 0.000 0.493 513 T N 0.409 115.066 114.554 0.172 0.000 3.010 513 T HA 0.247 4.598 4.350 0.002 0.000 0.257 513 T C 0.506 175.317 174.700 0.185 0.000 1.020 513 T CA -0.223 61.983 62.100 0.176 0.000 0.938 513 T CB 0.395 69.334 68.868 0.118 0.000 1.049 513 T HN 0.509 nan 8.240 nan 0.000 0.522 514 Q N 0.140 119.995 119.800 0.092 0.000 2.241 514 Q HA 0.741 5.082 4.340 0.002 0.000 0.262 514 Q C 1.255 177.271 176.000 0.026 0.000 1.014 514 Q CA -0.311 55.514 55.803 0.037 0.000 0.885 514 Q CB 1.742 30.475 28.738 -0.010 0.000 1.311 514 Q HN 0.164 nan 8.270 nan 0.000 0.461 515 A N 0.825 123.645 122.820 0.001 0.000 1.917 515 A HA -0.190 4.131 4.320 0.002 0.000 0.219 515 A C 0.675 178.251 177.584 -0.014 0.000 1.182 515 A CA 1.770 53.801 52.037 -0.010 0.000 0.633 515 A CB 0.022 19.010 19.000 -0.020 0.000 0.819 515 A HN 0.713 nan 8.150 nan 0.000 0.448 516 E N -1.642 118.544 120.200 -0.022 0.000 2.331 516 E HA 0.558 4.909 4.350 0.002 0.000 0.275 516 E C -1.318 175.250 176.600 -0.054 0.000 0.895 516 E CA -0.495 55.886 56.400 -0.031 0.000 0.753 516 E CB 1.232 30.909 29.700 -0.038 0.000 1.216 516 E HN 0.382 nan 8.360 nan 0.000 0.434 517 Q N 1.364 121.126 119.800 -0.063 0.000 2.479 517 Q HA 0.350 4.691 4.340 0.002 0.000 0.276 517 Q C -1.751 174.127 176.000 -0.203 0.000 0.989 517 Q CA -0.582 55.116 55.803 -0.175 0.000 0.864 517 Q CB 2.426 31.035 28.738 -0.214 0.000 1.444 517 Q HN 0.528 nan 8.270 nan 0.000 0.388 518 T N 2.371 116.717 114.554 -0.348 0.000 2.823 518 T HA 0.648 4.999 4.350 0.002 0.000 0.279 518 T C -1.219 173.185 174.700 -0.493 0.000 0.998 518 T CA -0.191 61.756 62.100 -0.255 0.000 0.994 518 T CB 0.326 69.083 68.868 -0.184 0.000 0.960 518 T HN 0.287 nan 8.240 nan 0.000 0.448 519 F N 1.649 121.519 119.950 -0.132 0.000 2.477 519 F HA 0.560 5.088 4.527 0.001 0.000 0.335 519 F C -0.204 175.331 175.800 -0.442 0.000 1.130 519 F CA -1.036 56.804 58.000 -0.267 0.000 0.948 519 F CB 1.588 40.502 39.000 -0.143 0.000 1.154 519 F HN 0.173 nan 8.300 nan 0.000 0.439 520 V N 4.247 123.905 119.914 -0.428 0.000 2.417 520 V HA 0.459 4.580 4.120 0.002 0.000 0.291 520 V C -0.671 175.114 176.094 -0.515 0.000 1.024 520 V CA -0.896 61.206 62.300 -0.330 0.000 0.861 520 V CB 1.293 33.016 31.823 -0.166 0.000 0.985 520 V HN 0.473 nan 8.190 nan 0.000 0.436 521 F N 1.812 121.861 119.950 0.164 0.000 2.520 521 F HA 0.606 5.133 4.527 0.001 0.000 0.322 521 F C 0.224 176.113 175.800 0.147 0.000 1.103 521 F CA -0.760 57.343 58.000 0.172 0.000 0.926 521 F CB 1.602 40.732 39.000 0.218 0.000 1.154 521 F HN 0.373 nan 8.300 nan 0.000 0.453 522 D N 0.881 121.440 120.400 0.265 0.000 2.385 522 D HA 0.277 4.918 4.640 0.002 0.000 0.254 522 D C 0.088 176.505 176.300 0.195 0.000 1.053 522 D CA -0.208 53.900 54.000 0.180 0.000 0.992 522 D CB 0.726 41.601 40.800 0.124 0.000 1.145 522 D HN 0.513 nan 8.370 nan 0.000 0.523 523 N N -0.536 118.266 118.700 0.169 0.000 2.735 523 N HA -0.148 4.593 4.740 0.002 0.000 0.248 523 N C -0.876 174.765 175.510 0.219 0.000 1.083 523 N CA 0.220 53.386 53.050 0.193 0.000 0.703 523 N CB -0.898 37.693 38.487 0.173 0.000 1.005 523 N HN 0.081 nan 8.380 nan 0.000 0.550 524 V N 2.659 122.692 119.914 0.198 0.000 2.299 524 V HA 0.048 4.169 4.120 0.002 0.000 0.255 524 V C 1.227 177.401 176.094 0.134 0.000 1.100 524 V CA -0.381 61.974 62.300 0.092 0.000 0.938 524 V CB -0.556 31.400 31.823 0.221 0.000 1.139 524 V HN 0.305 nan 8.190 nan 0.000 0.490 525 Y N 2.636 123.054 120.300 0.196 0.000 2.561 525 Y HA 0.377 4.928 4.550 0.002 0.000 0.291 525 Y C 0.282 176.339 175.900 0.261 0.000 1.141 525 Y CA -0.475 57.749 58.100 0.207 0.000 1.303 525 Y CB -0.261 38.289 38.460 0.150 0.000 1.015 525 Y HN 0.382 nan 8.280 nan 0.000 0.547 526 F N 1.283 121.080 119.950 -0.255 0.000 2.601 526 F HA 0.344 4.872 4.527 0.002 0.000 0.309 526 F C -0.410 174.967 175.800 -0.704 0.000 1.089 526 F CA -1.941 55.896 58.000 -0.272 0.000 0.940 526 F CB 1.605 40.505 39.000 -0.166 0.000 1.273 526 F HN -0.176 nan 8.300 nan 0.000 0.450 527 Q N 6.476 125.461 119.800 -1.359 0.000 2.264 527 Q HA 0.149 4.490 4.340 0.002 0.000 0.296 527 Q C -2.370 173.297 176.000 -0.555 0.000 1.103 527 Q CA -1.268 53.737 55.803 -1.330 0.000 0.967 527 Q CB 0.527 28.708 28.738 -0.928 0.000 1.090 527 Q HN 0.189 nan 8.270 nan 0.000 0.379 528 P HA 0.114 nan 4.420 nan 0.000 0.279 528 P C -1.111 176.030 177.300 -0.265 0.000 1.252 528 P CA -0.414 62.447 63.100 -0.399 0.000 0.811 528 P CB 1.053 32.374 31.700 -0.632 0.000 1.035 529 V N 3.715 123.524 119.914 -0.174 0.000 2.364 529 V HA 0.285 4.406 4.120 0.002 0.000 0.272 529 V C -1.873 174.293 176.094 0.119 0.000 1.036 529 V CA -1.733 60.536 62.300 -0.052 0.000 0.880 529 V CB 0.878 32.553 31.823 -0.246 0.000 0.991 529 V HN 0.586 nan 8.190 nan 0.000 0.460 530 P HA 0.435 nan 4.420 nan 0.000 0.284 530 P C -0.842 176.672 177.300 0.356 0.000 1.253 530 P CA -0.413 62.765 63.100 0.131 0.000 0.800 530 P CB 1.708 33.412 31.700 0.007 0.000 0.961 531 A N 4.493 127.515 122.820 0.336 0.000 2.276 531 A HA 0.618 4.939 4.320 0.002 0.000 0.316 531 A C -0.248 177.470 177.584 0.223 0.000 1.229 531 A CA -0.700 51.538 52.037 0.335 0.000 0.851 531 A CB 0.019 19.232 19.000 0.356 0.000 1.165 531 A HN 0.508 nan 8.150 nan 0.000 0.513 532 L N 2.228 123.605 121.223 0.256 0.000 2.334 532 L HA 0.519 4.860 4.340 0.002 0.000 0.276 532 L C 0.019 176.847 176.870 -0.070 0.000 1.014 532 L CA -1.062 53.834 54.840 0.094 0.000 0.815 532 L CB 1.597 43.775 42.059 0.199 0.000 1.268 532 L HN 0.723 nan 8.230 nan 0.000 0.428 533 L N 2.440 123.309 121.223 -0.590 0.000 3.677 533 L HA -0.219 4.123 4.340 0.002 0.000 0.464 533 L C -0.285 176.529 176.870 -0.093 0.000 1.278 533 L CA 0.253 54.757 54.840 -0.559 0.000 0.806 533 L CB -1.096 40.752 42.059 -0.352 0.000 1.610 533 L HN 0.723 nan 8.230 nan 0.000 0.867 534 C N 1.583 120.844 119.300 -0.065 0.000 2.657 534 C HA 0.172 4.633 4.460 0.002 0.000 0.420 534 C C 1.877 176.886 174.990 0.031 0.000 1.323 534 C CA 0.342 59.416 59.018 0.094 0.000 1.894 534 C CB 0.124 27.909 27.740 0.075 0.000 2.681 534 C HN 0.848 nan 8.230 nan 0.000 0.613 535 E N 0.302 120.526 120.200 0.040 0.000 2.539 535 E HA -0.279 4.072 4.350 0.002 0.000 0.253 535 E C 0.094 176.436 176.600 -0.431 0.000 1.145 535 E CA 0.567 56.700 56.400 -0.445 0.000 0.738 535 E CB -1.277 28.287 29.700 -0.227 0.000 1.308 535 E HN 0.775 nan 8.360 nan 0.000 0.409 536 F N -0.566 119.183 119.950 -0.335 0.000 2.667 536 F HA -0.310 4.218 4.527 0.002 0.000 0.250 536 F C 1.285 177.015 175.800 -0.117 0.000 1.029 536 F CA 0.958 58.886 58.000 -0.121 0.000 0.944 536 F CB -1.294 37.627 39.000 -0.132 0.000 0.994 536 F HN 0.205 nan 8.300 nan 0.000 0.842 537 S N 0.869 116.442 115.700 -0.213 0.000 2.481 537 S HA 0.536 5.008 4.470 0.002 0.000 0.231 537 S C 0.832 175.296 174.600 -0.226 0.000 0.996 537 S CA 0.435 58.522 58.200 -0.188 0.000 0.942 537 S CB 0.195 63.305 63.200 -0.150 0.000 0.768 537 S HN 1.536 nan 8.310 nan 0.000 0.520 538 A N 1.707 124.316 122.820 -0.351 0.000 2.486 538 A HA 0.689 5.010 4.320 0.002 0.000 0.300 538 A C -3.115 174.115 177.584 -0.590 0.000 1.048 538 A CA -1.898 49.944 52.037 -0.325 0.000 0.696 538 A CB 1.176 20.177 19.000 0.001 0.000 1.278 538 A HN 0.146 nan 8.150 nan 0.000 0.405 539 P HA 0.300 nan 4.420 nan 0.000 0.244 539 P C -0.325 177.099 177.300 0.208 0.000 1.769 539 P CA 0.328 63.311 63.100 -0.194 0.000 1.102 539 P CB -0.291 31.448 31.700 0.065 0.000 1.937 540 V N -0.241 119.778 119.914 0.176 0.000 3.130 540 V HA 0.585 4.706 4.120 0.002 0.000 0.310 540 V C -0.561 175.759 176.094 0.377 0.000 1.158 540 V CA -1.524 60.909 62.300 0.221 0.000 1.029 540 V CB 2.622 34.573 31.823 0.213 0.000 1.057 540 V HN -0.016 nan 8.190 nan 0.000 0.436 541 K N 2.220 122.743 120.400 0.205 0.000 2.201 541 K HA 0.631 4.952 4.320 0.002 0.000 0.278 541 K C -0.996 175.774 176.600 0.283 0.000 1.027 541 K CA -0.552 55.914 56.287 0.299 0.000 0.909 541 K CB 1.611 34.198 32.500 0.146 0.000 1.062 541 K HN 0.632 nan 8.250 nan 0.000 0.465 542 L N 2.664 124.093 121.223 0.343 0.000 2.275 542 L HA 0.255 4.596 4.340 0.002 0.000 0.288 542 L C -0.787 176.256 176.870 0.289 0.000 1.046 542 L CA 0.040 55.089 54.840 0.348 0.000 0.805 542 L CB 1.099 43.411 42.059 0.421 0.000 1.193 542 L HN 0.565 nan 8.230 nan 0.000 0.426 543 E N 4.219 124.559 120.200 0.233 0.000 2.183 543 E HA 0.333 4.684 4.350 0.002 0.000 0.250 543 E C -1.992 174.706 176.600 0.162 0.000 0.901 543 E CA -0.261 56.239 56.400 0.167 0.000 0.741 543 E CB 0.779 30.539 29.700 0.099 0.000 1.182 543 E HN 0.540 nan 8.360 nan 0.000 0.425 544 Y N 1.830 122.107 120.300 -0.038 0.000 2.470 544 Y HA 0.313 4.865 4.550 0.002 0.000 0.341 544 Y C -0.970 174.749 175.900 -0.301 0.000 1.021 544 Y CA -1.091 56.855 58.100 -0.258 0.000 1.025 544 Y CB 1.416 39.569 38.460 -0.511 0.000 1.266 544 Y HN 0.157 nan 8.280 nan 0.000 0.448 545 K N 6.296 126.177 120.400 -0.864 0.000 2.187 545 K HA 0.133 4.454 4.320 0.002 0.000 0.242 545 K C -1.229 175.094 176.600 -0.463 0.000 1.179 545 K CA -0.232 55.756 56.287 -0.498 0.000 1.097 545 K CB 0.006 32.268 32.500 -0.396 0.000 1.634 545 K HN 0.638 nan 8.250 nan 0.000 0.335 546 W N 1.377 122.638 121.300 -0.064 0.000 2.158 546 W HA -0.029 4.632 4.660 0.002 0.000 0.339 546 W C 1.125 177.669 176.519 0.043 0.000 1.294 546 W CA -0.396 57.019 57.345 0.116 0.000 1.231 546 W CB 0.571 30.142 29.460 0.185 0.000 1.143 546 W HN 0.367 nan 8.180 nan 0.000 0.571 547 S N 0.754 116.656 115.700 0.337 0.000 2.646 547 S HA 0.164 4.636 4.470 0.002 0.000 0.276 547 S C 0.586 175.323 174.600 0.229 0.000 1.222 547 S CA -0.701 57.626 58.200 0.211 0.000 1.014 547 S CB 1.535 64.818 63.200 0.138 0.000 0.991 547 S HN 0.514 nan 8.310 nan 0.000 0.533 548 D N 1.049 121.562 120.400 0.189 0.000 2.182 548 D HA -0.080 4.561 4.640 0.002 0.000 0.201 548 D C 1.785 178.163 176.300 0.130 0.000 0.986 548 D CA 1.526 55.645 54.000 0.197 0.000 0.847 548 D CB -0.194 40.781 40.800 0.292 0.000 0.942 548 D HN 0.596 nan 8.370 nan 0.000 0.467 549 Q N -0.014 119.844 119.800 0.097 0.000 2.212 549 Q HA 0.056 4.397 4.340 0.002 0.000 0.199 549 Q C 2.060 178.140 176.000 0.134 0.000 0.950 549 Q CA 0.543 56.395 55.803 0.080 0.000 0.863 549 Q CB -0.115 28.644 28.738 0.035 0.000 0.944 549 Q HN 0.376 nan 8.270 nan 0.000 0.465 550 Q N -0.054 119.840 119.800 0.157 0.000 2.096 550 Q HA -0.151 4.190 4.340 0.002 0.000 0.204 550 Q C 1.884 177.981 176.000 0.162 0.000 0.982 550 Q CA 1.224 57.152 55.803 0.209 0.000 0.850 550 Q CB -0.138 28.850 28.738 0.417 0.000 0.901 550 Q HN 0.373 nan 8.270 nan 0.000 0.422 551 L N -0.070 121.187 121.223 0.057 0.000 2.044 551 L HA -0.144 4.197 4.340 0.002 0.000 0.205 551 L C 2.781 179.595 176.870 -0.093 0.000 1.075 551 L CA 1.554 56.313 54.840 -0.135 0.000 0.747 551 L CB -0.928 41.015 42.059 -0.194 0.000 0.903 551 L HN 0.382 nan 8.230 nan 0.000 0.435 552 T N -2.316 112.224 114.554 -0.024 0.000 2.833 552 T HA -0.262 4.090 4.350 0.002 0.000 0.269 552 T C 1.738 176.427 174.700 -0.018 0.000 1.054 552 T CA 1.103 63.168 62.100 -0.058 0.000 1.135 552 T CB -0.733 68.118 68.868 -0.029 0.000 0.869 552 T HN 0.273 nan 8.240 nan 0.000 0.466 553 F N 1.939 121.855 119.950 -0.057 0.000 2.102 553 F HA 0.104 4.632 4.527 0.002 0.000 0.298 553 F C 2.025 177.787 175.800 -0.062 0.000 1.105 553 F CA 1.114 59.123 58.000 0.015 0.000 1.239 553 F CB -0.313 38.721 39.000 0.055 0.000 0.991 553 F HN 0.060 nan 8.300 nan 0.000 0.474 554 L N -0.216 121.059 121.223 0.086 0.000 2.083 554 L HA -0.266 4.075 4.340 0.002 0.000 0.209 554 L C 2.499 179.212 176.870 -0.261 0.000 1.083 554 L CA 1.508 56.263 54.840 -0.142 0.000 0.752 554 L CB -0.657 41.314 42.059 -0.146 0.000 0.899 554 L HN 0.269 nan 8.230 nan 0.000 0.433 555 M N -1.084 118.365 119.600 -0.251 0.000 2.279 555 M HA -0.207 4.274 4.480 0.002 0.000 0.264 555 M C 2.352 178.466 176.300 -0.311 0.000 1.062 555 M CA 1.545 56.681 55.300 -0.274 0.000 1.099 555 M CB -0.250 32.174 32.600 -0.293 0.000 1.394 555 M HN 0.179 nan 8.290 nan 0.000 0.426 556 R N -1.177 119.073 120.500 -0.417 0.000 2.146 556 R HA -0.015 4.326 4.340 0.002 0.000 0.206 556 R C 1.579 177.419 176.300 -0.766 0.000 1.049 556 R CA 0.756 56.499 56.100 -0.595 0.000 1.029 556 R CB 0.339 30.211 30.300 -0.714 0.000 0.949 556 R HN 0.408 nan 8.270 nan 0.000 0.471 557 H N -0.739 118.009 119.070 -0.538 0.000 3.017 557 H HA 0.310 4.867 4.556 0.002 0.000 0.255 557 H C 0.129 175.147 175.328 -0.516 0.000 0.990 557 H CA 0.381 56.077 56.048 -0.587 0.000 1.205 557 H CB 0.510 29.673 29.762 -0.999 0.000 1.460 557 H HN 0.151 nan 8.280 nan 0.000 0.478 558 A N 1.915 124.476 122.820 -0.431 0.000 2.540 558 A HA -0.015 4.306 4.320 0.002 0.000 0.239 558 A C 1.554 179.116 177.584 -0.036 0.000 1.061 558 A CA -0.051 51.777 52.037 -0.349 0.000 0.758 558 A CB 0.357 19.239 19.000 -0.196 0.000 0.991 558 A HN 0.334 nan 8.150 nan 0.000 0.502 559 R N 1.210 121.827 120.500 0.194 0.000 2.080 559 R HA -0.114 4.227 4.340 0.002 0.000 0.236 559 R C 0.683 177.044 176.300 0.101 0.000 1.137 559 R CA 1.281 57.479 56.100 0.163 0.000 0.943 559 R CB -0.130 30.293 30.300 0.204 0.000 0.846 559 R HN 0.855 nan 8.270 nan 0.000 0.431 560 N N 1.020 119.795 118.700 0.125 0.000 2.479 560 N HA -0.039 4.702 4.740 0.002 0.000 0.285 560 N C -0.214 175.362 175.510 0.109 0.000 1.075 560 N CA 0.005 53.127 53.050 0.121 0.000 0.967 560 N CB 1.415 40.000 38.487 0.164 0.000 1.137 560 N HN -0.022 nan 8.380 nan 0.000 0.472 561 D N 2.091 122.545 120.400 0.092 0.000 2.221 561 D HA -0.167 4.474 4.640 0.002 0.000 0.204 561 D C 1.344 177.713 176.300 0.116 0.000 0.982 561 D CA 0.897 54.940 54.000 0.071 0.000 0.857 561 D CB -0.142 40.686 40.800 0.048 0.000 0.934 561 D HN 0.606 nan 8.370 nan 0.000 0.475 562 F N 1.557 121.544 119.950 0.062 0.000 2.146 562 F HA -0.178 4.351 4.527 0.002 0.000 0.298 562 F C 2.224 178.133 175.800 0.182 0.000 1.096 562 F CA 1.189 59.260 58.000 0.118 0.000 1.275 562 F CB -0.073 38.975 39.000 0.081 0.000 1.008 562 F HN -0.169 nan 8.300 nan 0.000 0.480 563 S N 0.607 116.368 115.700 0.101 0.000 2.423 563 S HA -0.140 4.332 4.470 0.002 0.000 0.231 563 S C 1.882 176.397 174.600 -0.143 0.000 1.014 563 S CA 1.149 59.342 58.200 -0.012 0.000 0.965 563 S CB -0.372 62.887 63.200 0.099 0.000 0.785 563 S HN 0.429 nan 8.310 nan 0.000 0.495 564 R N -0.082 120.357 120.500 -0.102 0.000 2.066 564 R HA -0.075 4.266 4.340 0.002 0.000 0.232 564 R C 2.130 178.339 176.300 -0.152 0.000 1.131 564 R CA 1.512 57.528 56.100 -0.139 0.000 0.955 564 R CB -0.383 29.855 30.300 -0.103 0.000 0.851 564 R HN 0.532 nan 8.270 nan 0.000 0.432 565 W N 2.465 123.595 121.300 -0.283 0.000 2.355 565 W HA -0.213 4.448 4.660 0.002 0.000 0.309 565 W C 1.706 178.010 176.519 -0.358 0.000 1.206 565 W CA 1.807 58.982 57.345 -0.283 0.000 1.284 565 W CB -0.370 28.922 29.460 -0.280 0.000 1.145 565 W HN 0.036 nan 8.180 nan 0.000 0.502 566 D N -0.022 120.082 120.400 -0.494 0.000 2.117 566 D HA -0.193 4.449 4.640 0.002 0.000 0.197 566 D C 2.295 178.257 176.300 -0.563 0.000 0.987 566 D CA 2.206 55.798 54.000 -0.680 0.000 0.829 566 D CB -0.675 39.789 40.800 -0.560 0.000 0.961 566 D HN 0.151 nan 8.370 nan 0.000 0.460 567 A N 0.708 123.251 122.820 -0.462 0.000 1.892 567 A HA -0.102 4.219 4.320 0.002 0.000 0.218 567 A C 2.411 179.740 177.584 -0.424 0.000 1.188 567 A CA 2.697 54.450 52.037 -0.473 0.000 0.631 567 A CB -1.170 17.594 19.000 -0.395 0.000 0.822 567 A HN 0.311 nan 8.150 nan 0.000 0.447 568 A N -1.215 121.353 122.820 -0.420 0.000 1.940 568 A HA -0.207 4.115 4.320 0.002 0.000 0.219 568 A C 2.093 179.495 177.584 -0.303 0.000 1.176 568 A CA 1.803 53.634 52.037 -0.343 0.000 0.631 568 A CB -0.455 18.352 19.000 -0.321 0.000 0.814 568 A HN 0.539 nan 8.150 nan 0.000 0.446 569 Q N 0.055 119.520 119.800 -0.558 0.000 2.119 569 Q HA -0.077 4.264 4.340 0.002 0.000 0.201 569 Q C 2.368 178.203 176.000 -0.275 0.000 0.972 569 Q CA 1.699 57.211 55.803 -0.485 0.000 0.847 569 Q CB -0.800 27.465 28.738 -0.789 0.000 0.903 569 Q HN 0.642 nan 8.270 nan 0.000 0.433 570 S N 1.310 116.835 115.700 -0.291 0.000 2.383 570 S HA -0.105 4.366 4.470 0.002 0.000 0.227 570 S C 1.907 176.436 174.600 -0.119 0.000 1.026 570 S CA 0.729 58.811 58.200 -0.196 0.000 0.981 570 S CB -0.228 62.768 63.200 -0.340 0.000 0.818 570 S HN 0.212 nan 8.310 nan 0.000 0.472 571 L N 1.402 122.559 121.223 -0.110 0.000 2.017 571 L HA 0.009 4.350 4.340 0.002 0.000 0.208 571 L C 1.949 178.915 176.870 0.161 0.000 1.073 571 L CA 1.524 56.393 54.840 0.048 0.000 0.745 571 L CB -0.668 41.419 42.059 0.048 0.000 0.894 571 L HN 0.179 nan 8.230 nan 0.000 0.432 572 L N -0.204 121.089 121.223 0.118 0.000 2.046 572 L HA -0.087 4.254 4.340 0.002 0.000 0.208 572 L C 2.719 179.621 176.870 0.053 0.000 1.077 572 L CA 1.894 56.815 54.840 0.135 0.000 0.747 572 L CB -1.808 40.289 42.059 0.063 0.000 0.896 572 L HN 0.378 nan 8.230 nan 0.000 0.432 573 A N -1.149 121.653 122.820 -0.030 0.000 1.903 573 A HA -0.299 4.022 4.320 0.002 0.000 0.219 573 A C 2.332 179.845 177.584 -0.118 0.000 1.191 573 A CA 2.619 54.610 52.037 -0.076 0.000 0.638 573 A CB -1.130 17.821 19.000 -0.083 0.000 0.823 573 A HN 0.457 nan 8.150 nan 0.000 0.451 574 T N -1.188 113.257 114.554 -0.182 0.000 2.665 574 T HA -0.211 4.140 4.350 0.002 0.000 0.268 574 T C 1.644 176.058 174.700 -0.477 0.000 1.035 574 T CA 2.121 63.985 62.100 -0.393 0.000 1.151 574 T CB -0.468 68.035 68.868 -0.608 0.000 0.862 574 T HN 0.619 nan 8.240 nan 0.000 0.438 575 Y N 0.063 120.376 120.300 0.020 0.000 2.490 575 Y HA 0.316 4.867 4.550 0.002 0.000 0.285 575 Y C 2.033 177.953 175.900 0.034 0.000 1.117 575 Y CA -0.538 57.575 58.100 0.022 0.000 1.262 575 Y CB -0.523 37.941 38.460 0.006 0.000 1.043 575 Y HN 0.185 nan 8.280 nan 0.000 0.553 576 I N 0.128 120.767 120.570 0.116 0.000 2.202 576 I HA -0.294 3.877 4.170 0.002 0.000 0.242 576 I C 2.217 178.454 176.117 0.200 0.000 1.091 576 I CA 1.522 62.901 61.300 0.131 0.000 1.368 576 I CB -0.274 37.787 38.000 0.101 0.000 1.058 576 I HN 0.068 nan 8.210 nan 0.000 0.410 577 K N 0.230 120.695 120.400 0.108 0.000 2.026 577 K HA -0.209 4.112 4.320 0.002 0.000 0.208 577 K C 2.124 178.825 176.600 0.168 0.000 1.048 577 K CA 1.352 57.738 56.287 0.165 0.000 0.929 577 K CB -0.417 32.043 32.500 -0.067 0.000 0.713 577 K HN 0.120 nan 8.250 nan 0.000 0.439 578 L N 2.144 123.413 121.223 0.077 0.000 1.990 578 L HA -0.235 4.106 4.340 0.002 0.000 0.213 578 L C 1.538 178.483 176.870 0.125 0.000 1.072 578 L CA 1.867 56.763 54.840 0.094 0.000 0.755 578 L CB -0.492 41.634 42.059 0.112 0.000 0.889 578 L HN 0.198 nan 8.230 nan 0.000 0.432 579 N N -1.110 117.675 118.700 0.142 0.000 2.409 579 N HA -0.058 4.683 4.740 0.002 0.000 0.179 579 N C 1.830 177.414 175.510 0.124 0.000 1.032 579 N CA 1.238 54.362 53.050 0.125 0.000 0.898 579 N CB 0.011 38.566 38.487 0.113 0.000 0.971 579 N HN 0.281 nan 8.380 nan 0.000 0.441 580 V N 1.830 121.822 119.914 0.129 0.000 2.307 580 V HA -0.188 3.933 4.120 0.002 0.000 0.245 580 V C 2.517 178.652 176.094 0.069 0.000 1.045 580 V CA 1.809 64.139 62.300 0.050 0.000 1.024 580 V CB -0.860 30.917 31.823 -0.076 0.000 0.651 580 V HN 0.241 nan 8.190 nan 0.000 0.449 581 A N 0.015 122.895 122.820 0.099 0.000 1.917 581 A HA -0.277 4.044 4.320 0.002 0.000 0.219 581 A C 2.347 179.972 177.584 0.069 0.000 1.182 581 A CA 2.133 54.217 52.037 0.078 0.000 0.633 581 A CB -0.543 18.508 19.000 0.084 0.000 0.819 581 A HN 0.533 nan 8.150 nan 0.000 0.448 582 R N -1.700 118.847 120.500 0.078 0.000 2.081 582 R HA -0.145 4.197 4.340 0.002 0.000 0.235 582 R C 2.347 178.676 176.300 0.048 0.000 1.131 582 R CA 1.306 57.440 56.100 0.058 0.000 0.960 582 R CB -0.574 29.764 30.300 0.063 0.000 0.856 582 R HN 0.782 nan 8.270 nan 0.000 0.436 583 H N 1.515 120.585 119.070 -0.000 0.000 2.353 583 H HA -0.117 4.440 4.556 0.002 0.000 0.300 583 H C 1.605 176.922 175.328 -0.019 0.000 1.090 583 H CA 1.779 57.819 56.048 -0.013 0.000 1.327 583 H CB 0.200 29.946 29.762 -0.026 0.000 1.383 583 H HN 0.290 nan 8.280 nan 0.000 0.508 584 Q N -0.011 119.856 119.800 0.111 0.000 2.291 584 Q HA -0.134 4.207 4.340 0.002 0.000 0.206 584 Q C 1.723 177.711 176.000 -0.019 0.000 0.976 584 Q CA 1.221 57.056 55.803 0.054 0.000 0.875 584 Q CB 0.094 28.862 28.738 0.051 0.000 0.927 584 Q HN 0.672 nan 8.270 nan 0.000 0.450 585 Q N -0.939 118.845 119.800 -0.027 0.000 2.280 585 Q HA 0.174 4.515 4.340 0.002 0.000 0.201 585 Q C 0.595 176.559 176.000 -0.060 0.000 0.890 585 Q CA 0.324 56.108 55.803 -0.030 0.000 0.947 585 Q CB 0.926 29.660 28.738 -0.008 0.000 1.081 585 Q HN 0.436 nan 8.270 nan 0.000 0.502 586 G N 1.317 110.046 108.800 -0.120 0.000 2.147 586 G HA2 -0.288 3.673 3.960 0.002 0.000 0.244 586 G HA3 -0.288 3.673 3.960 0.002 0.000 0.244 586 G C -0.238 174.603 174.900 -0.099 0.000 1.005 586 G CA -0.046 44.971 45.100 -0.139 0.000 0.713 586 G HN 0.343 nan 8.290 nan 0.000 0.515 587 Q N 0.375 120.129 119.800 -0.076 0.000 2.266 587 Q HA 0.564 4.905 4.340 0.002 0.000 0.261 587 Q C -2.220 173.769 176.000 -0.018 0.000 0.985 587 Q CA -2.052 53.731 55.803 -0.033 0.000 0.873 587 Q CB 2.545 31.278 28.738 -0.008 0.000 1.306 587 Q HN 0.286 nan 8.270 nan 0.000 0.447 588 P HA 0.055 nan 4.420 nan 0.000 0.276 588 P C -0.626 176.687 177.300 0.021 0.000 1.261 588 P CA -0.589 62.515 63.100 0.007 0.000 0.800 588 P CB 0.738 32.440 31.700 0.002 0.000 1.066 589 L N 0.751 121.989 121.223 0.025 0.000 2.514 589 L HA 0.162 4.503 4.340 0.002 0.000 0.280 589 L C 0.435 177.313 176.870 0.013 0.000 1.223 589 L CA 1.078 55.934 54.840 0.026 0.000 0.864 589 L CB 0.202 42.268 42.059 0.012 0.000 1.118 589 L HN 0.432 nan 8.230 nan 0.000 0.494 590 S N 4.870 120.584 115.700 0.023 0.000 2.557 590 S HA 0.746 5.217 4.470 0.002 0.000 0.291 590 S C -1.347 173.241 174.600 -0.021 0.000 1.116 590 S CA -0.690 57.514 58.200 0.006 0.000 0.992 590 S CB 1.065 64.284 63.200 0.032 0.000 1.028 590 S HN 0.576 nan 8.310 nan 0.000 0.484 591 L N 5.817 126.974 121.223 -0.111 0.000 2.516 591 L HA 0.642 4.983 4.340 0.002 0.000 0.267 591 L C -2.522 174.152 176.870 -0.328 0.000 0.957 591 L CA -1.257 53.417 54.840 -0.276 0.000 0.860 591 L CB 1.755 43.673 42.059 -0.235 0.000 1.265 591 L HN 0.528 nan 8.230 nan 0.000 0.403 592 P HA 0.134 nan 4.420 nan 0.000 0.268 592 P C 0.991 178.026 177.300 -0.441 0.000 1.208 592 P CA -0.428 62.399 63.100 -0.456 0.000 0.777 592 P CB 0.729 31.986 31.700 -0.737 0.000 0.875 593 V N 1.680 121.439 119.914 -0.259 0.000 2.332 593 V HA -0.276 3.845 4.120 0.002 0.000 0.248 593 V C 2.201 178.211 176.094 -0.141 0.000 1.055 593 V CA 2.238 64.451 62.300 -0.145 0.000 1.038 593 V CB -1.582 30.217 31.823 -0.039 0.000 0.651 593 V HN 0.756 nan 8.190 nan 0.000 0.450 594 H N -1.049 117.990 119.070 -0.053 0.000 2.545 594 H HA 0.014 4.572 4.556 0.002 0.000 0.282 594 H C 2.059 177.362 175.328 -0.042 0.000 1.020 594 H CA 1.426 57.452 56.048 -0.038 0.000 1.243 594 H CB -0.433 29.318 29.762 -0.017 0.000 1.377 594 H HN 0.379 nan 8.280 nan 0.000 0.581 595 V N 1.735 121.483 119.914 -0.278 0.000 2.302 595 V HA -0.127 3.994 4.120 0.002 0.000 0.243 595 V C 3.174 179.314 176.094 0.077 0.000 1.036 595 V CA 1.428 63.665 62.300 -0.104 0.000 1.020 595 V CB -1.021 30.622 31.823 -0.300 0.000 0.657 595 V HN 0.585 nan 8.190 nan 0.000 0.453 596 A N 0.184 122.993 122.820 -0.018 0.000 1.917 596 A HA -0.318 4.004 4.320 0.002 0.000 0.219 596 A C 1.946 179.567 177.584 0.062 0.000 1.182 596 A CA 2.343 54.397 52.037 0.029 0.000 0.633 596 A CB -0.777 18.185 19.000 -0.063 0.000 0.819 596 A HN 0.545 nan 8.150 nan 0.000 0.448 597 D N -0.189 120.219 120.400 0.013 0.000 2.182 597 D HA -0.049 4.592 4.640 0.002 0.000 0.201 597 D C 2.190 178.470 176.300 -0.034 0.000 0.986 597 D CA 1.385 55.385 54.000 -0.001 0.000 0.847 597 D CB -0.382 40.424 40.800 0.010 0.000 0.942 597 D HN 0.459 nan 8.370 nan 0.000 0.467 598 A N -0.038 122.740 122.820 -0.071 0.000 1.933 598 A HA -0.148 4.173 4.320 0.002 0.000 0.218 598 A C 1.941 179.300 177.584 -0.375 0.000 1.175 598 A CA 0.959 52.848 52.037 -0.246 0.000 0.628 598 A CB -0.868 17.918 19.000 -0.356 0.000 0.814 598 A HN 0.177 nan 8.150 nan 0.000 0.444 599 F N -0.628 119.268 119.950 -0.091 0.000 2.367 599 F HA 0.042 4.570 4.527 0.002 0.000 0.298 599 F C 2.361 178.098 175.800 -0.106 0.000 1.094 599 F CA 1.223 59.161 58.000 -0.105 0.000 1.409 599 F CB -0.200 38.716 39.000 -0.141 0.000 1.064 599 F HN 0.154 nan 8.300 nan 0.000 0.528 600 R N 0.698 121.219 120.500 0.035 0.000 2.075 600 R HA -0.124 4.217 4.340 0.002 0.000 0.232 600 R C 2.370 178.651 176.300 -0.032 0.000 1.126 600 R CA 1.246 57.340 56.100 -0.008 0.000 0.963 600 R CB -0.459 29.831 30.300 -0.017 0.000 0.858 600 R HN 0.245 nan 8.270 nan 0.000 0.435 601 A N 0.324 123.107 122.820 -0.062 0.000 1.940 601 A HA -0.118 4.204 4.320 0.002 0.000 0.219 601 A C 2.247 179.778 177.584 -0.088 0.000 1.176 601 A CA 1.615 53.602 52.037 -0.083 0.000 0.631 601 A CB -0.530 18.403 19.000 -0.113 0.000 0.814 601 A HN 0.235 nan 8.150 nan 0.000 0.446 602 V N -0.135 119.718 119.914 -0.101 0.000 2.307 602 V HA -0.238 3.884 4.120 0.002 0.000 0.245 602 V C 2.538 178.618 176.094 -0.023 0.000 1.045 602 V CA 1.867 64.121 62.300 -0.077 0.000 1.024 602 V CB -0.683 31.092 31.823 -0.081 0.000 0.651 602 V HN 0.578 nan 8.190 nan 0.000 0.449 603 L N -0.800 120.423 121.223 0.000 0.000 2.079 603 L HA -0.157 4.184 4.340 0.002 0.000 0.210 603 L C 2.020 178.892 176.870 0.004 0.000 1.081 603 L CA 1.540 56.390 54.840 0.016 0.000 0.752 603 L CB -0.198 41.870 42.059 0.015 0.000 0.896 603 L HN 0.327 nan 8.230 nan 0.000 0.433 604 L N -1.632 119.583 121.223 -0.013 0.000 2.640 604 L HA 0.108 4.449 4.340 0.002 0.000 0.230 604 L C 0.344 177.198 176.870 -0.026 0.000 1.123 604 L CA -0.390 54.441 54.840 -0.015 0.000 0.900 604 L CB -0.061 41.988 42.059 -0.018 0.000 1.146 604 L HN 0.046 nan 8.230 nan 0.000 0.484 605 D N 1.635 122.012 120.400 -0.038 0.000 2.389 605 D HA -0.057 4.584 4.640 0.002 0.000 0.263 605 D C 0.907 177.187 176.300 -0.034 0.000 1.255 605 D CA 0.511 54.482 54.000 -0.049 0.000 0.914 605 D CB 0.917 41.675 40.800 -0.070 0.000 1.116 605 D HN 0.216 nan 8.370 nan 0.000 0.502 606 E N 2.344 122.525 120.200 -0.032 0.000 2.481 606 E HA -0.044 4.307 4.350 0.002 0.000 0.195 606 E C 1.058 177.643 176.600 -0.026 0.000 1.047 606 E CA 0.421 56.807 56.400 -0.023 0.000 0.867 606 E CB 0.468 30.156 29.700 -0.019 0.000 0.858 606 E HN 0.449 nan 8.360 nan 0.000 0.513 607 K N 0.261 120.640 120.400 -0.036 0.000 2.361 607 K HA 0.158 4.479 4.320 0.002 0.000 0.194 607 K C 0.815 177.393 176.600 -0.036 0.000 1.032 607 K CA -0.108 56.157 56.287 -0.036 0.000 1.048 607 K CB 0.675 33.149 32.500 -0.043 0.000 0.842 607 K HN 0.081 nan 8.250 nan 0.000 0.526 608 I N 2.686 123.233 120.570 -0.039 0.000 2.556 608 I HA -0.061 4.110 4.170 0.002 0.000 0.284 608 I C 0.092 176.196 176.117 -0.022 0.000 1.114 608 I CA -0.125 61.153 61.300 -0.037 0.000 1.418 608 I CB 0.500 38.475 38.000 -0.043 0.000 1.394 608 I HN 0.042 nan 8.210 nan 0.000 0.552 609 D N 10.144 130.533 120.400 -0.019 0.000 2.472 609 D HA -0.002 4.639 4.640 0.002 0.000 0.248 609 D C -1.565 174.732 176.300 -0.006 0.000 1.174 609 D CA -1.447 52.545 54.000 -0.013 0.000 0.883 609 D CB 1.314 42.106 40.800 -0.013 0.000 1.149 609 D HN 0.305 nan 8.370 nan 0.000 0.488 610 P HA -0.167 nan 4.420 nan 0.000 0.218 610 P C 0.939 178.245 177.300 0.010 0.000 1.146 610 P CA 1.370 64.473 63.100 0.005 0.000 0.813 610 P CB 0.093 31.792 31.700 -0.002 0.000 0.778 611 A N -0.721 122.098 122.820 -0.001 0.000 1.933 611 A HA -0.168 4.153 4.320 0.002 0.000 0.218 611 A C 2.140 179.720 177.584 -0.007 0.000 1.175 611 A CA 1.501 53.533 52.037 -0.007 0.000 0.628 611 A CB -1.481 17.509 19.000 -0.016 0.000 0.814 611 A HN 0.196 nan 8.150 nan 0.000 0.444 612 L N -0.458 120.765 121.223 0.000 0.000 2.049 612 L HA 0.120 4.461 4.340 0.002 0.000 0.203 612 L C 2.676 179.578 176.870 0.054 0.000 1.074 612 L CA 2.105 56.955 54.840 0.016 0.000 0.749 612 L CB -1.034 41.031 42.059 0.011 0.000 0.907 612 L HN 0.311 nan 8.230 nan 0.000 0.439 613 A N 0.025 122.871 122.820 0.043 0.000 1.903 613 A HA -0.280 4.041 4.320 0.002 0.000 0.219 613 A C 2.465 180.114 177.584 0.109 0.000 1.191 613 A CA 2.546 54.623 52.037 0.067 0.000 0.638 613 A CB -1.439 17.589 19.000 0.046 0.000 0.823 613 A HN 0.648 nan 8.150 nan 0.000 0.451 614 A N -0.952 121.919 122.820 0.086 0.000 1.933 614 A HA -0.150 4.171 4.320 0.002 0.000 0.218 614 A C 1.954 179.612 177.584 0.122 0.000 1.175 614 A CA 1.825 53.921 52.037 0.099 0.000 0.628 614 A CB -0.378 18.658 19.000 0.060 0.000 0.814 614 A HN 0.487 nan 8.150 nan 0.000 0.444 615 E N -0.037 120.225 120.200 0.103 0.000 2.107 615 E HA -0.052 4.299 4.350 0.002 0.000 0.191 615 E C 1.980 178.820 176.600 0.400 0.000 0.982 615 E CA 0.772 57.243 56.400 0.119 0.000 0.809 615 E CB -0.426 29.185 29.700 -0.149 0.000 0.756 615 E HN 0.727 nan 8.360 nan 0.000 0.459 616 I N 0.766 121.587 120.570 0.418 0.000 2.286 616 I HA -0.235 3.936 4.170 0.002 0.000 0.248 616 I C 1.923 178.284 176.117 0.407 0.000 1.115 616 I CA 0.939 62.481 61.300 0.404 0.000 1.392 616 I CB -0.175 37.959 38.000 0.223 0.000 1.065 616 I HN 0.012 nan 8.210 nan 0.000 0.418 617 L N 0.169 121.597 121.223 0.341 0.000 2.612 617 L HA 0.053 4.394 4.340 0.002 0.000 0.230 617 L C 0.234 177.302 176.870 0.330 0.000 1.140 617 L CA 0.181 55.248 54.840 0.377 0.000 0.896 617 L CB -0.468 41.803 42.059 0.353 0.000 1.065 617 L HN 0.078 nan 8.230 nan 0.000 0.447 618 T N 1.567 116.264 114.554 0.239 0.000 2.753 618 T HA 0.417 4.768 4.350 0.002 0.000 0.297 618 T C 0.222 175.005 174.700 0.138 0.000 0.981 618 T CA -0.406 61.775 62.100 0.135 0.000 0.956 618 T CB 0.948 69.884 68.868 0.114 0.000 0.936 618 T HN -0.002 nan 8.240 nan 0.000 0.463 619 L N 4.761 126.008 121.223 0.040 0.000 2.467 619 L HA 0.277 4.618 4.340 0.002 0.000 0.270 619 L C -1.774 175.120 176.870 0.040 0.000 1.205 619 L CA -2.071 52.782 54.840 0.020 0.000 0.828 619 L CB -0.232 41.797 42.059 -0.049 0.000 1.101 619 L HN 0.303 nan 8.230 nan 0.000 0.479 620 P HA -0.042 nan 4.420 nan 0.000 0.264 620 P C -0.405 176.913 177.300 0.029 0.000 1.179 620 P CA -0.078 63.053 63.100 0.053 0.000 0.763 620 P CB 0.363 32.079 31.700 0.027 0.000 0.806 621 S N 1.123 116.844 115.700 0.034 0.000 2.606 621 S HA 0.044 4.515 4.470 0.002 0.000 0.257 621 S C 1.558 176.171 174.600 0.023 0.000 1.327 621 S CA -0.046 58.163 58.200 0.016 0.000 0.984 621 S CB -0.073 63.138 63.200 0.017 0.000 0.941 621 S HN 0.393 nan 8.310 nan 0.000 0.576 622 V N -0.403 119.521 119.914 0.016 0.000 2.568 622 V HA -0.196 3.925 4.120 0.002 0.000 0.253 622 V C 1.716 177.847 176.094 0.061 0.000 1.072 622 V CA 2.059 64.378 62.300 0.032 0.000 1.084 622 V CB -1.762 30.071 31.823 0.017 0.000 0.676 622 V HN 0.814 nan 8.190 nan 0.000 0.469 623 N N 0.809 119.542 118.700 0.055 0.000 2.171 623 N HA -0.107 4.634 4.740 0.002 0.000 0.184 623 N C 1.872 177.423 175.510 0.069 0.000 1.021 623 N CA 1.582 54.673 53.050 0.068 0.000 0.854 623 N CB -0.296 38.224 38.487 0.055 0.000 0.994 623 N HN 0.638 nan 8.380 nan 0.000 0.426 624 E N 0.446 120.678 120.200 0.054 0.000 2.150 624 E HA -0.121 4.230 4.350 0.002 0.000 0.193 624 E C 1.773 178.412 176.600 0.065 0.000 0.985 624 E CA 0.891 57.320 56.400 0.049 0.000 0.814 624 E CB -0.059 29.667 29.700 0.044 0.000 0.752 624 E HN 0.423 nan 8.360 nan 0.000 0.466 625 M N 0.523 120.174 119.600 0.085 0.000 2.132 625 M HA -0.119 4.362 4.480 0.002 0.000 0.263 625 M C 2.586 179.034 176.300 0.246 0.000 1.065 625 M CA 1.309 56.693 55.300 0.140 0.000 1.122 625 M CB -0.312 32.378 32.600 0.151 0.000 1.365 625 M HN 0.133 nan 8.290 nan 0.000 0.411 626 A N 0.104 123.053 122.820 0.214 0.000 1.958 626 A HA -0.228 4.093 4.320 0.002 0.000 0.221 626 A C 2.077 179.798 177.584 0.228 0.000 1.178 626 A CA 1.806 53.990 52.037 0.245 0.000 0.642 626 A CB -0.795 18.286 19.000 0.135 0.000 0.816 626 A HN 0.467 nan 8.150 nan 0.000 0.453 627 E N -0.160 120.123 120.200 0.139 0.000 2.265 627 E HA -0.123 4.228 4.350 0.002 0.000 0.196 627 E C 1.626 178.245 176.600 0.031 0.000 0.996 627 E CA 0.720 57.189 56.400 0.115 0.000 0.832 627 E CB -0.198 29.586 29.700 0.140 0.000 0.756 627 E HN 0.728 nan 8.360 nan 0.000 0.491 628 L N -0.266 120.886 121.223 -0.118 0.000 2.552 628 L HA 0.025 4.367 4.340 0.002 0.000 0.227 628 L C 0.142 176.624 176.870 -0.646 0.000 1.146 628 L CA 0.200 54.780 54.840 -0.434 0.000 0.858 628 L CB -0.050 41.589 42.059 -0.701 0.000 0.969 628 L HN -0.083 nan 8.230 nan 0.000 0.451 629 F N -1.330 118.621 119.950 0.001 0.000 2.551 629 F HA 0.276 4.804 4.527 0.002 0.000 0.316 629 F C 0.977 176.755 175.800 -0.037 0.000 1.089 629 F CA -1.048 56.937 58.000 -0.024 0.000 0.915 629 F CB 1.111 40.082 39.000 -0.049 0.000 1.186 629 F HN -0.232 nan 8.300 nan 0.000 0.456 630 D N 1.211 121.698 120.400 0.145 0.000 2.077 630 D HA -0.041 4.600 4.640 0.002 0.000 0.196 630 D C 0.758 177.067 176.300 0.015 0.000 0.986 630 D CA 1.699 55.736 54.000 0.061 0.000 0.829 630 D CB 0.257 41.083 40.800 0.044 0.000 0.983 630 D HN 0.056 nan 8.370 nan 0.000 0.453 631 I N 1.951 122.526 120.570 0.009 0.000 2.315 631 I HA 0.201 4.372 4.170 0.002 0.000 0.291 631 I C 0.433 176.451 176.117 -0.164 0.000 1.006 631 I CA -0.630 60.615 61.300 -0.091 0.000 1.265 631 I CB 0.912 38.876 38.000 -0.060 0.000 1.387 631 I HN -0.129 nan 8.210 nan 0.000 0.475 632 I N 5.562 125.909 120.570 -0.372 0.000 2.396 632 I HA 0.053 4.224 4.170 0.002 0.000 0.289 632 I C 0.418 176.328 176.117 -0.345 0.000 1.056 632 I CA 0.041 61.083 61.300 -0.431 0.000 1.365 632 I CB 0.501 38.100 38.000 -0.668 0.000 1.407 632 I HN 0.448 nan 8.210 nan 0.000 0.509 633 D N 9.846 130.047 120.400 -0.331 0.000 2.485 633 D HA 0.215 4.856 4.640 0.002 0.000 0.229 633 D C -1.558 174.637 176.300 -0.176 0.000 1.101 633 D CA -2.321 51.550 54.000 -0.215 0.000 0.906 633 D CB 1.434 42.090 40.800 -0.240 0.000 1.019 633 D HN 0.229 nan 8.370 nan 0.000 0.516 634 P HA -0.074 nan 4.420 nan 0.000 0.219 634 P C 1.794 179.065 177.300 -0.049 0.000 1.150 634 P CA 0.557 63.664 63.100 0.012 0.000 0.814 634 P CB 0.720 32.508 31.700 0.146 0.000 0.787 635 I N -0.015 120.513 120.570 -0.070 0.000 2.286 635 I HA -0.166 4.005 4.170 0.002 0.000 0.245 635 I C 2.616 178.551 176.117 -0.303 0.000 1.104 635 I CA 1.280 62.513 61.300 -0.112 0.000 1.397 635 I CB -0.915 37.060 38.000 -0.041 0.000 1.072 635 I HN -0.093 nan 8.210 nan 0.000 0.417 636 A N 1.395 123.953 122.820 -0.437 0.000 1.877 636 A HA -0.180 4.141 4.320 0.002 0.000 0.216 636 A C 2.301 179.604 177.584 -0.468 0.000 1.186 636 A CA 1.524 53.086 52.037 -0.792 0.000 0.620 636 A CB -0.829 17.908 19.000 -0.437 0.000 0.822 636 A HN 0.346 nan 8.150 nan 0.000 0.443 637 I N -0.234 120.158 120.570 -0.297 0.000 2.163 637 I HA -0.313 3.859 4.170 0.002 0.000 0.243 637 I C 3.013 179.056 176.117 -0.122 0.000 1.085 637 I CA 1.159 62.360 61.300 -0.165 0.000 1.347 637 I CB -0.378 37.559 38.000 -0.105 0.000 1.044 637 I HN 0.368 nan 8.210 nan 0.000 0.408 638 A N 0.327 123.073 122.820 -0.123 0.000 1.883 638 A HA -0.258 4.063 4.320 0.002 0.000 0.217 638 A C 2.233 179.755 177.584 -0.104 0.000 1.186 638 A CA 1.996 53.977 52.037 -0.093 0.000 0.624 638 A CB -0.652 18.306 19.000 -0.071 0.000 0.822 638 A HN 0.472 nan 8.150 nan 0.000 0.444 639 E N -0.637 119.474 120.200 -0.148 0.000 2.107 639 E HA -0.068 4.283 4.350 0.002 0.000 0.191 639 E C 1.991 178.550 176.600 -0.069 0.000 0.982 639 E CA 0.979 57.322 56.400 -0.095 0.000 0.809 639 E CB -0.183 29.470 29.700 -0.079 0.000 0.756 639 E HN 0.380 nan 8.360 nan 0.000 0.459 640 V N 1.316 121.168 119.914 -0.104 0.000 2.343 640 V HA -0.276 3.845 4.120 0.002 0.000 0.247 640 V C 2.420 178.480 176.094 -0.057 0.000 1.051 640 V CA 1.869 64.143 62.300 -0.043 0.000 1.036 640 V CB -0.465 31.344 31.823 -0.023 0.000 0.654 640 V HN 0.203 nan 8.190 nan 0.000 0.451 641 R N -0.088 120.365 120.500 -0.079 0.000 2.091 641 R HA -0.240 4.101 4.340 0.002 0.000 0.238 641 R C 2.391 178.583 176.300 -0.181 0.000 1.136 641 R CA 2.188 58.225 56.100 -0.105 0.000 0.959 641 R CB -0.238 30.005 30.300 -0.095 0.000 0.856 641 R HN 0.670 nan 8.270 nan 0.000 0.437 642 E N -0.497 119.593 120.200 -0.183 0.000 2.072 642 E HA -0.172 4.179 4.350 0.002 0.000 0.191 642 E C 1.757 178.215 176.600 -0.236 0.000 0.985 642 E CA 1.117 57.347 56.400 -0.283 0.000 0.801 642 E CB -0.069 29.549 29.700 -0.136 0.000 0.750 642 E HN 0.475 nan 8.360 nan 0.000 0.452 643 A N 0.913 123.669 122.820 -0.107 0.000 1.898 643 A HA -0.148 4.173 4.320 0.002 0.000 0.216 643 A C 2.100 179.644 177.584 -0.066 0.000 1.181 643 A CA 1.058 53.063 52.037 -0.053 0.000 0.620 643 A CB -0.617 18.382 19.000 -0.002 0.000 0.819 643 A HN 0.362 nan 8.150 nan 0.000 0.442 644 L N 0.075 121.252 121.223 -0.076 0.000 2.042 644 L HA -0.132 4.209 4.340 0.002 0.000 0.210 644 L C 2.507 179.342 176.870 -0.058 0.000 1.076 644 L CA 2.777 57.574 54.840 -0.072 0.000 0.749 644 L CB -1.205 40.813 42.059 -0.068 0.000 0.893 644 L HN 0.413 nan 8.230 nan 0.000 0.432 645 T N -0.345 114.138 114.554 -0.118 0.000 2.652 645 T HA -0.209 4.142 4.350 0.002 0.000 0.267 645 T C 1.964 176.667 174.700 0.005 0.000 1.039 645 T CA 1.718 63.763 62.100 -0.091 0.000 1.153 645 T CB -0.243 68.262 68.868 -0.605 0.000 0.863 645 T HN 0.365 nan 8.240 nan 0.000 0.428 646 R N 0.576 121.018 120.500 -0.096 0.000 2.091 646 R HA -0.079 4.262 4.340 0.002 0.000 0.238 646 R C 2.747 179.064 176.300 0.029 0.000 1.136 646 R CA 1.669 57.794 56.100 0.042 0.000 0.959 646 R CB -0.832 29.499 30.300 0.052 0.000 0.856 646 R HN 0.347 nan 8.270 nan 0.000 0.437 647 T N 1.652 116.197 114.554 -0.015 0.000 2.737 647 T HA -0.051 4.300 4.350 0.002 0.000 0.265 647 T C 1.942 176.599 174.700 -0.071 0.000 1.038 647 T CA 0.998 63.075 62.100 -0.039 0.000 1.144 647 T CB -0.120 68.713 68.868 -0.058 0.000 0.866 647 T HN 0.115 nan 8.240 nan 0.000 0.434 648 L N 0.787 121.944 121.223 -0.109 0.000 2.093 648 L HA -0.023 4.318 4.340 0.002 0.000 0.208 648 L C 2.997 179.735 176.870 -0.220 0.000 1.085 648 L CA 0.987 55.682 54.840 -0.242 0.000 0.755 648 L CB -0.617 41.163 42.059 -0.465 0.000 0.904 648 L HN 0.228 nan 8.230 nan 0.000 0.435 649 A N -0.469 122.329 122.820 -0.036 0.000 1.933 649 A HA -0.195 4.126 4.320 0.002 0.000 0.218 649 A C 2.365 179.954 177.584 0.008 0.000 1.175 649 A CA 2.361 54.429 52.037 0.052 0.000 0.628 649 A CB -0.783 18.345 19.000 0.214 0.000 0.814 649 A HN 0.386 nan 8.150 nan 0.000 0.444 650 T N -0.335 114.219 114.554 0.001 0.000 2.809 650 T HA -0.057 4.294 4.350 0.002 0.000 0.260 650 T C 1.776 176.458 174.700 -0.030 0.000 1.039 650 T CA 1.269 63.366 62.100 -0.005 0.000 1.141 650 T CB -0.172 68.697 68.868 0.000 0.000 0.869 650 T HN 0.435 nan 8.240 nan 0.000 0.437 651 E N 1.192 121.358 120.200 -0.055 0.000 2.204 651 E HA 0.046 4.397 4.350 0.002 0.000 0.194 651 E C 1.471 178.033 176.600 -0.064 0.000 0.989 651 E CA 0.752 57.115 56.400 -0.061 0.000 0.824 651 E CB -0.075 29.579 29.700 -0.077 0.000 0.756 651 E HN 0.482 nan 8.360 nan 0.000 0.477 652 L N -0.524 120.646 121.223 -0.089 0.000 3.014 652 L HA 0.365 4.706 4.340 0.002 0.000 0.263 652 L C 1.792 178.628 176.870 -0.057 0.000 1.207 652 L CA -0.091 54.696 54.840 -0.088 0.000 1.017 652 L CB 0.219 42.186 42.059 -0.153 0.000 1.360 652 L HN -0.095 nan 8.230 nan 0.000 0.560 653 A N 0.629 123.428 122.820 -0.035 0.000 1.917 653 A HA -0.243 4.078 4.320 0.002 0.000 0.219 653 A C 1.874 179.457 177.584 -0.001 0.000 1.182 653 A CA 2.258 54.288 52.037 -0.010 0.000 0.633 653 A CB -0.240 18.759 19.000 -0.002 0.000 0.819 653 A HN 0.380 nan 8.150 nan 0.000 0.448 654 D N -0.783 119.616 120.400 -0.002 0.000 2.137 654 D HA -0.048 4.593 4.640 0.002 0.000 0.202 654 D C 1.954 178.263 176.300 0.016 0.000 0.970 654 D CA 1.415 55.420 54.000 0.008 0.000 0.837 654 D CB -0.351 40.452 40.800 0.005 0.000 0.981 654 D HN 0.541 nan 8.370 nan 0.000 0.475 655 E N 0.665 120.869 120.200 0.006 0.000 2.072 655 E HA -0.059 4.292 4.350 0.002 0.000 0.191 655 E C 2.321 178.941 176.600 0.033 0.000 0.985 655 E CA 0.332 56.739 56.400 0.012 0.000 0.801 655 E CB -0.258 29.439 29.700 -0.004 0.000 0.750 655 E HN 0.225 nan 8.360 nan 0.000 0.452 656 L N 0.019 121.257 121.223 0.025 0.000 2.017 656 L HA -0.180 4.161 4.340 0.002 0.000 0.208 656 L C 2.325 179.262 176.870 0.112 0.000 1.073 656 L CA 0.733 55.611 54.840 0.064 0.000 0.745 656 L CB -0.404 41.681 42.059 0.043 0.000 0.894 656 L HN 0.198 nan 8.230 nan 0.000 0.432 657 L N -0.062 121.207 121.223 0.078 0.000 2.093 657 L HA -0.112 4.229 4.340 0.002 0.000 0.208 657 L C 2.582 179.547 176.870 0.157 0.000 1.085 657 L CA 1.868 56.772 54.840 0.106 0.000 0.755 657 L CB -0.638 41.452 42.059 0.050 0.000 0.904 657 L HN 0.148 nan 8.230 nan 0.000 0.435 658 A N -0.379 122.502 122.820 0.101 0.000 1.902 658 A HA -0.147 4.175 4.320 0.002 0.000 0.217 658 A C 2.106 179.748 177.584 0.096 0.000 1.181 658 A CA 1.868 53.955 52.037 0.084 0.000 0.623 658 A CB -0.658 18.372 19.000 0.050 0.000 0.818 658 A HN 0.413 nan 8.150 nan 0.000 0.443 659 I N -1.767 118.868 120.570 0.109 0.000 2.406 659 I HA -0.138 4.033 4.170 0.002 0.000 0.249 659 I C 2.317 178.514 176.117 0.134 0.000 1.122 659 I CA 1.042 62.403 61.300 0.101 0.000 1.431 659 I CB -1.540 36.514 38.000 0.090 0.000 1.087 659 I HN 0.548 nan 8.210 nan 0.000 0.424 660 Y N 2.695 123.033 120.300 0.062 0.000 2.097 660 Y HA -0.305 4.246 4.550 0.002 0.000 0.282 660 Y C 2.300 178.249 175.900 0.082 0.000 1.152 660 Y CA 2.349 60.493 58.100 0.074 0.000 1.136 660 Y CB -0.668 37.836 38.460 0.072 0.000 0.975 660 Y HN 0.248 nan 8.280 nan 0.000 0.498 661 N N -0.146 118.623 118.700 0.115 0.000 2.223 661 N HA -0.139 4.602 4.740 0.002 0.000 0.185 661 N C 1.825 177.338 175.510 0.006 0.000 1.016 661 N CA 0.808 53.867 53.050 0.015 0.000 0.863 661 N CB -0.313 38.225 38.487 0.085 0.000 0.983 661 N HN 0.472 nan 8.380 nan 0.000 0.429 662 A N 0.579 123.415 122.820 0.027 0.000 2.119 662 A HA 0.006 4.327 4.320 0.002 0.000 0.217 662 A C 1.555 179.150 177.584 0.018 0.000 1.153 662 A CA 0.909 52.962 52.037 0.028 0.000 0.692 662 A CB 0.015 19.032 19.000 0.028 0.000 0.799 662 A HN 0.258 nan 8.150 nan 0.000 0.458 663 N N -1.441 117.252 118.700 -0.011 0.000 2.236 663 N HA 0.054 4.795 4.740 0.002 0.000 0.196 663 N C -0.298 175.175 175.510 -0.061 0.000 1.114 663 N CA -0.229 52.800 53.050 -0.036 0.000 0.859 663 N CB 0.135 38.600 38.487 -0.037 0.000 0.982 663 N HN 0.563 nan 8.380 nan 0.000 0.493 664 Y N 2.800 122.992 120.300 -0.178 0.000 2.904 664 Y HA -0.152 4.399 4.550 0.002 0.000 0.336 664 Y C -0.119 175.725 175.900 -0.093 0.000 1.263 664 Y CA 0.815 58.819 58.100 -0.160 0.000 1.547 664 Y CB 0.315 38.688 38.460 -0.144 0.000 1.272 664 Y HN 0.024 nan 8.280 nan 0.000 0.596 665 Q N 4.153 123.399 119.800 -0.925 0.000 2.294 665 Q HA 0.201 4.542 4.340 0.002 0.000 0.264 665 Q C 0.444 175.907 176.000 -0.895 0.000 0.992 665 Q CA -0.068 55.312 55.803 -0.705 0.000 0.747 665 Q CB 1.785 30.315 28.738 -0.347 0.000 1.262 665 Q HN 0.874 nan 8.270 nan 0.000 0.452 666 S N 0.956 116.202 115.700 -0.758 0.000 2.406 666 S HA -0.010 4.461 4.470 0.002 0.000 0.228 666 S C 0.587 175.091 174.600 -0.161 0.000 1.020 666 S CA 0.533 58.528 58.200 -0.342 0.000 0.965 666 S CB 0.211 63.392 63.200 -0.030 0.000 0.798 666 S HN 0.463 nan 8.310 nan 0.000 0.488 667 E N 1.086 121.194 120.200 -0.152 0.000 2.283 667 E HA 0.250 4.601 4.350 0.002 0.000 0.278 667 E C -1.442 175.107 176.600 -0.086 0.000 1.027 667 E CA -0.438 55.906 56.400 -0.093 0.000 0.843 667 E CB 0.922 30.561 29.700 -0.101 0.000 1.062 667 E HN 0.519 nan 8.360 nan 0.000 0.401 668 Y N 3.088 123.295 120.300 -0.155 0.000 2.341 668 Y HA 0.265 4.816 4.550 0.002 0.000 0.340 668 Y C -0.376 175.406 175.900 -0.196 0.000 0.997 668 Y CA -0.358 57.637 58.100 -0.176 0.000 1.149 668 Y CB 0.629 38.994 38.460 -0.157 0.000 1.171 668 Y HN 0.289 nan 8.280 nan 0.000 0.494 669 R N 4.612 124.588 120.500 -0.872 0.000 2.561 669 R HA 0.446 4.787 4.340 0.002 0.000 0.297 669 R C -1.165 174.529 176.300 -1.009 0.000 0.969 669 R CA -1.102 54.551 56.100 -0.744 0.000 0.879 669 R CB 1.986 32.024 30.300 -0.436 0.000 1.178 669 R HN 0.504 nan 8.270 nan 0.000 0.445 670 V N 3.340 122.712 119.914 -0.903 0.000 1.973 670 V HA 0.083 4.204 4.120 0.002 0.000 0.255 670 V C -0.007 175.701 176.094 -0.642 0.000 1.605 670 V CA 0.503 62.263 62.300 -0.900 0.000 1.542 670 V CB -0.994 30.096 31.823 -1.222 0.000 1.504 670 V HN 0.720 nan 8.190 nan 0.000 0.505 671 E N 0.440 120.310 120.200 -0.550 0.000 2.314 671 E HA 0.416 4.767 4.350 0.002 0.000 0.272 671 E C 0.209 176.585 176.600 -0.374 0.000 0.884 671 E CA -0.836 55.324 56.400 -0.401 0.000 0.753 671 E CB 1.657 31.204 29.700 -0.255 0.000 1.213 671 E HN 0.371 nan 8.360 nan 0.000 0.432 672 H N 1.422 120.411 119.070 -0.136 0.000 2.387 672 H HA -0.145 4.412 4.556 0.002 0.000 0.299 672 H C 1.699 176.963 175.328 -0.107 0.000 1.090 672 H CA 1.581 57.561 56.048 -0.113 0.000 1.332 672 H CB 0.396 30.107 29.762 -0.086 0.000 1.386 672 H HN 0.685 nan 8.280 nan 0.000 0.516 673 E N 1.063 121.258 120.200 -0.009 0.000 2.110 673 E HA -0.164 4.187 4.350 0.002 0.000 0.193 673 E C 1.115 177.664 176.600 -0.085 0.000 0.988 673 E CA 1.331 57.707 56.400 -0.040 0.000 0.804 673 E CB 0.183 29.859 29.700 -0.040 0.000 0.745 673 E HN 0.355 nan 8.360 nan 0.000 0.458 674 D N 0.427 120.741 120.400 -0.143 0.000 2.123 674 D HA -0.088 4.553 4.640 0.002 0.000 0.200 674 D C 1.964 178.160 176.300 -0.174 0.000 0.976 674 D CA 0.978 54.868 54.000 -0.184 0.000 0.831 674 D CB -0.110 40.524 40.800 -0.276 0.000 0.974 674 D HN 0.257 nan 8.370 nan 0.000 0.469 675 I N 1.050 121.500 120.570 -0.200 0.000 2.194 675 I HA -0.314 3.857 4.170 0.002 0.000 0.246 675 I C 2.373 178.447 176.117 -0.072 0.000 1.093 675 I CA 1.227 62.437 61.300 -0.149 0.000 1.355 675 I CB -0.266 37.628 38.000 -0.177 0.000 1.046 675 I HN -0.029 nan 8.210 nan 0.000 0.413 676 A N 0.798 123.586 122.820 -0.054 0.000 1.877 676 A HA -0.224 4.097 4.320 0.002 0.000 0.216 676 A C 2.319 179.889 177.584 -0.022 0.000 1.186 676 A CA 1.708 53.730 52.037 -0.025 0.000 0.620 676 A CB -0.481 18.509 19.000 -0.016 0.000 0.822 676 A HN 0.323 nan 8.150 nan 0.000 0.443 677 K N -0.831 119.546 120.400 -0.039 0.000 2.063 677 K HA -0.179 4.142 4.320 0.002 0.000 0.208 677 K C 2.355 178.936 176.600 -0.031 0.000 1.048 677 K CA 1.688 57.954 56.287 -0.036 0.000 0.928 677 K CB -0.164 32.300 32.500 -0.059 0.000 0.713 677 K HN 0.497 nan 8.250 nan 0.000 0.442 678 R N 0.668 121.143 120.500 -0.041 0.000 2.090 678 R HA -0.074 4.267 4.340 0.002 0.000 0.228 678 R C 1.900 178.209 176.300 0.015 0.000 1.110 678 R CA 1.672 57.760 56.100 -0.020 0.000 0.973 678 R CB -0.157 30.132 30.300 -0.019 0.000 0.869 678 R HN 0.064 nan 8.270 nan 0.000 0.440 679 T N 1.798 116.359 114.554 0.011 0.000 2.746 679 T HA -0.160 4.191 4.350 0.002 0.000 0.267 679 T C 1.629 176.361 174.700 0.053 0.000 1.039 679 T CA 1.322 63.440 62.100 0.029 0.000 1.142 679 T CB -0.250 68.627 68.868 0.015 0.000 0.866 679 T HN 0.175 nan 8.240 nan 0.000 0.444 680 L N 1.373 122.626 121.223 0.050 0.000 2.017 680 L HA 0.039 4.380 4.340 0.002 0.000 0.208 680 L C 2.517 179.453 176.870 0.110 0.000 1.073 680 L CA 1.778 56.666 54.840 0.079 0.000 0.745 680 L CB -0.600 41.493 42.059 0.058 0.000 0.894 680 L HN 0.054 nan 8.230 nan 0.000 0.432 681 R N -0.302 120.246 120.500 0.080 0.000 2.083 681 R HA -0.211 4.130 4.340 0.002 0.000 0.237 681 R C 2.095 178.533 176.300 0.230 0.000 1.137 681 R CA 2.373 58.538 56.100 0.108 0.000 0.951 681 R CB -0.419 29.863 30.300 -0.030 0.000 0.851 681 R HN 0.598 nan 8.270 nan 0.000 0.434 682 N N -0.497 118.298 118.700 0.159 0.000 2.331 682 N HA -0.091 4.650 4.740 0.002 0.000 0.180 682 N C 1.587 177.175 175.510 0.129 0.000 1.019 682 N CA 0.666 53.812 53.050 0.159 0.000 0.881 682 N CB -0.012 38.537 38.487 0.103 0.000 0.972 682 N HN 0.295 nan 8.380 nan 0.000 0.435 683 A N 0.433 123.329 122.820 0.127 0.000 1.930 683 A HA -0.124 4.197 4.320 0.002 0.000 0.217 683 A C 2.353 180.069 177.584 0.219 0.000 1.175 683 A CA 0.889 53.000 52.037 0.123 0.000 0.627 683 A CB -0.827 18.263 19.000 0.150 0.000 0.815 683 A HN 0.423 nan 8.150 nan 0.000 0.443 684 C N -1.396 118.069 119.300 0.274 0.000 2.462 684 C HA -0.060 4.401 4.460 0.002 0.000 0.278 684 C C 2.497 177.632 174.990 0.242 0.000 1.253 684 C CA 1.026 60.235 59.018 0.319 0.000 1.713 684 C CB -1.457 26.467 27.740 0.308 0.000 2.049 684 C HN 0.679 nan 8.230 nan 0.000 0.477 685 L N 1.234 122.579 121.223 0.202 0.000 2.051 685 L HA -0.200 4.142 4.340 0.002 0.000 0.214 685 L C 2.663 179.558 176.870 0.041 0.000 1.076 685 L CA 1.914 56.778 54.840 0.039 0.000 0.758 685 L CB -0.672 41.458 42.059 0.119 0.000 0.890 685 L HN 0.194 nan 8.230 nan 0.000 0.433 686 R N -0.839 119.686 120.500 0.041 0.000 2.083 686 R HA -0.185 4.156 4.340 0.002 0.000 0.237 686 R C 2.237 178.566 176.300 0.048 0.000 1.137 686 R CA 1.998 58.084 56.100 -0.024 0.000 0.951 686 R CB -1.090 29.095 30.300 -0.192 0.000 0.851 686 R HN 0.432 nan 8.270 nan 0.000 0.434 687 F N 0.514 120.533 119.950 0.115 0.000 2.146 687 F HA -0.072 4.456 4.527 0.002 0.000 0.298 687 F C 2.354 178.219 175.800 0.109 0.000 1.096 687 F CA 0.838 58.903 58.000 0.109 0.000 1.275 687 F CB -0.621 38.399 39.000 0.032 0.000 1.008 687 F HN -0.061 nan 8.300 nan 0.000 0.480 688 L N -0.483 120.869 121.223 0.216 0.000 2.131 688 L HA -0.206 4.135 4.340 0.002 0.000 0.210 688 L C 2.593 179.468 176.870 0.008 0.000 1.092 688 L CA 1.006 55.881 54.840 0.058 0.000 0.759 688 L CB -0.971 41.032 42.059 -0.094 0.000 0.903 688 L HN 0.137 nan 8.230 nan 0.000 0.435 689 A N -0.686 122.130 122.820 -0.007 0.000 2.070 689 A HA -0.132 4.189 4.320 0.002 0.000 0.220 689 A C 1.670 179.089 177.584 -0.274 0.000 1.159 689 A CA 1.262 53.201 52.037 -0.164 0.000 0.656 689 A CB -0.529 18.329 19.000 -0.236 0.000 0.800 689 A HN 0.394 nan 8.150 nan 0.000 0.453 690 F N -0.692 119.249 119.950 -0.015 0.000 2.641 690 F HA 0.330 4.858 4.527 0.002 0.000 0.302 690 F C 1.569 177.377 175.800 0.014 0.000 1.098 690 F CA -0.065 57.935 58.000 -0.000 0.000 1.318 690 F CB 0.188 39.196 39.000 0.015 0.000 1.035 690 F HN 0.241 nan 8.300 nan 0.000 0.551 691 G N -0.936 107.937 108.800 0.122 0.000 2.782 691 G HA2 0.108 4.069 3.960 0.002 0.000 0.201 691 G HA3 0.108 4.069 3.960 0.002 0.000 0.201 691 G C -0.490 174.429 174.900 0.032 0.000 1.374 691 G CA -0.404 44.744 45.100 0.079 0.000 1.039 691 G HN -0.027 nan 8.290 nan 0.000 0.576 692 E N -0.159 120.054 120.200 0.022 0.000 2.529 692 E HA -0.012 4.339 4.350 0.002 0.000 0.259 692 E C 1.380 177.982 176.600 0.003 0.000 0.966 692 E CA 0.215 56.626 56.400 0.018 0.000 0.937 692 E CB 0.632 30.346 29.700 0.025 0.000 0.923 692 E HN 0.310 nan 8.360 nan 0.000 0.468 693 T N 4.430 118.990 114.554 0.010 0.000 2.746 693 T HA -0.179 4.172 4.350 0.002 0.000 0.267 693 T C 1.503 176.206 174.700 0.005 0.000 1.039 693 T CA 1.324 63.420 62.100 -0.007 0.000 1.142 693 T CB -0.265 68.607 68.868 0.006 0.000 0.866 693 T HN 0.553 nan 8.240 nan 0.000 0.444 694 H N 0.523 119.575 119.070 -0.029 0.000 2.333 694 H HA 0.086 4.644 4.556 0.002 0.000 0.302 694 H C 2.423 177.735 175.328 -0.026 0.000 1.075 694 H CA 1.091 57.124 56.048 -0.025 0.000 1.348 694 H CB -0.342 29.411 29.762 -0.016 0.000 1.393 694 H HN 0.229 nan 8.280 nan 0.000 0.509 695 L N 0.876 122.049 121.223 -0.084 0.000 2.013 695 L HA -0.205 4.136 4.340 0.002 0.000 0.212 695 L C 2.905 179.682 176.870 -0.155 0.000 1.073 695 L CA 1.776 56.544 54.840 -0.120 0.000 0.753 695 L CB -0.575 41.461 42.059 -0.038 0.000 0.890 695 L HN 0.343 nan 8.230 nan 0.000 0.432 696 A N -0.946 121.799 122.820 -0.125 0.000 1.883 696 A HA -0.313 4.008 4.320 0.002 0.000 0.217 696 A C 2.025 179.516 177.584 -0.156 0.000 1.186 696 A CA 2.174 54.129 52.037 -0.137 0.000 0.624 696 A CB -0.933 17.989 19.000 -0.129 0.000 0.822 696 A HN 0.538 nan 8.150 nan 0.000 0.444 697 D N -0.897 119.403 120.400 -0.166 0.000 2.144 697 D HA -0.100 4.541 4.640 0.002 0.000 0.199 697 D C 1.838 178.044 176.300 -0.156 0.000 0.984 697 D CA 1.281 55.188 54.000 -0.154 0.000 0.834 697 D CB -0.034 40.688 40.800 -0.130 0.000 0.955 697 D HN 0.135 nan 8.370 nan 0.000 0.465 698 V N 0.221 119.991 119.914 -0.239 0.000 2.261 698 V HA -0.207 3.914 4.120 0.002 0.000 0.246 698 V C 2.414 178.455 176.094 -0.088 0.000 1.047 698 V CA 1.103 63.294 62.300 -0.183 0.000 1.015 698 V CB -0.445 31.221 31.823 -0.263 0.000 0.642 698 V HN 0.264 nan 8.190 nan 0.000 0.446 699 L N -0.368 120.790 121.223 -0.108 0.000 2.017 699 L HA -0.133 4.209 4.340 0.002 0.000 0.208 699 L C 2.376 179.222 176.870 -0.040 0.000 1.073 699 L CA 1.797 56.585 54.840 -0.087 0.000 0.745 699 L CB -0.736 41.211 42.059 -0.187 0.000 0.894 699 L HN 0.131 nan 8.230 nan 0.000 0.432 700 V N -1.790 118.085 119.914 -0.066 0.000 2.270 700 V HA -0.279 3.842 4.120 0.002 0.000 0.245 700 V C 2.679 178.782 176.094 0.014 0.000 1.043 700 V CA 1.818 64.098 62.300 -0.033 0.000 1.014 700 V CB -0.626 31.145 31.823 -0.088 0.000 0.645 700 V HN 0.515 nan 8.190 nan 0.000 0.447 701 S N -0.960 114.735 115.700 -0.007 0.000 2.374 701 S HA -0.272 4.199 4.470 0.002 0.000 0.227 701 S C 2.197 176.881 174.600 0.141 0.000 1.037 701 S CA 1.841 60.061 58.200 0.034 0.000 1.024 701 S CB -0.285 62.958 63.200 0.071 0.000 0.861 701 S HN 0.457 nan 8.310 nan 0.000 0.456 702 K N 0.645 121.127 120.400 0.137 0.000 2.026 702 K HA -0.149 4.172 4.320 0.002 0.000 0.208 702 K C 2.413 179.112 176.600 0.164 0.000 1.048 702 K CA 1.732 58.118 56.287 0.165 0.000 0.929 702 K CB -0.492 32.071 32.500 0.106 0.000 0.713 702 K HN 0.552 nan 8.250 nan 0.000 0.439 703 Q N -0.446 119.446 119.800 0.152 0.000 2.124 703 Q HA -0.189 4.152 4.340 0.002 0.000 0.202 703 Q C 2.020 178.097 176.000 0.129 0.000 0.977 703 Q CA 1.582 57.483 55.803 0.164 0.000 0.850 703 Q CB -0.227 28.631 28.738 0.200 0.000 0.901 703 Q HN 0.275 nan 8.270 nan 0.000 0.429 704 F N 0.200 120.127 119.950 -0.038 0.000 2.102 704 F HA -0.186 4.342 4.527 0.002 0.000 0.298 704 F C 1.689 177.439 175.800 -0.083 0.000 1.105 704 F CA 2.217 60.155 58.000 -0.103 0.000 1.239 704 F CB -0.176 38.680 39.000 -0.241 0.000 0.991 704 F HN 0.212 nan 8.300 nan 0.000 0.474 705 H N -0.920 118.226 119.070 0.126 0.000 2.403 705 H HA -0.004 4.553 4.556 0.002 0.000 0.298 705 H C 1.708 177.024 175.328 -0.020 0.000 1.059 705 H CA 1.377 57.445 56.048 0.033 0.000 1.363 705 H CB -0.006 29.832 29.762 0.126 0.000 1.410 705 H HN 0.362 nan 8.280 nan 0.000 0.528 706 E N 0.776 121.052 120.200 0.126 0.000 2.478 706 E HA 0.162 4.513 4.350 0.002 0.000 0.194 706 E C 0.575 177.198 176.600 0.039 0.000 1.045 706 E CA -0.053 56.396 56.400 0.081 0.000 0.868 706 E CB 0.459 30.222 29.700 0.104 0.000 0.885 706 E HN 0.331 nan 8.360 nan 0.000 0.505 707 A N 2.886 125.701 122.820 -0.007 0.000 2.584 707 A HA -0.068 4.253 4.320 0.002 0.000 0.239 707 A C 0.708 178.254 177.584 -0.062 0.000 1.043 707 A CA 0.162 52.175 52.037 -0.040 0.000 0.756 707 A CB -0.020 18.921 19.000 -0.099 0.000 0.963 707 A HN 0.311 nan 8.150 nan 0.000 0.511 708 N N 1.550 120.213 118.700 -0.063 0.000 2.251 708 N HA 0.037 4.778 4.740 0.002 0.000 0.217 708 N C -0.417 174.985 175.510 -0.180 0.000 1.124 708 N CA 0.045 53.046 53.050 -0.082 0.000 0.843 708 N CB -0.049 38.416 38.487 -0.035 0.000 1.024 708 N HN 0.735 nan 8.380 nan 0.000 0.501 709 N N -1.259 117.283 118.700 -0.264 0.000 2.710 709 N HA 0.098 4.839 4.740 0.002 0.000 0.257 709 N C -0.081 175.245 175.510 -0.307 0.000 1.327 709 N CA -0.576 52.190 53.050 -0.473 0.000 0.861 709 N CB 1.066 38.897 38.487 -1.093 0.000 1.532 709 N HN -0.159 nan 8.380 nan 0.000 0.499 710 M N 1.110 120.538 119.600 -0.287 0.000 2.319 710 M HA 0.021 4.502 4.480 0.002 0.000 0.265 710 M C 1.345 177.584 176.300 -0.102 0.000 1.068 710 M CA 1.822 57.022 55.300 -0.167 0.000 1.118 710 M CB -0.857 31.630 32.600 -0.188 0.000 1.395 710 M HN 0.722 nan 8.290 nan 0.000 0.435 711 T N 0.818 115.297 114.554 -0.127 0.000 2.607 711 T HA -0.173 4.178 4.350 0.002 0.000 0.267 711 T C 1.404 176.103 174.700 -0.001 0.000 1.049 711 T CA 1.913 63.995 62.100 -0.030 0.000 1.162 711 T CB -0.607 68.278 68.868 0.030 0.000 0.863 711 T HN 0.408 nan 8.240 nan 0.000 0.424 712 D N 1.198 121.585 120.400 -0.022 0.000 2.144 712 D HA 0.042 4.683 4.640 0.002 0.000 0.200 712 D C 2.370 178.696 176.300 0.043 0.000 0.978 712 D CA 1.131 55.145 54.000 0.024 0.000 0.833 712 D CB -0.497 40.315 40.800 0.020 0.000 0.961 712 D HN 0.422 nan 8.370 nan 0.000 0.470 713 A N 0.793 123.611 122.820 -0.004 0.000 1.898 713 A HA -0.121 4.200 4.320 0.002 0.000 0.216 713 A C 2.157 179.868 177.584 0.212 0.000 1.181 713 A CA 0.903 52.953 52.037 0.021 0.000 0.620 713 A CB -0.663 18.251 19.000 -0.143 0.000 0.819 713 A HN 0.219 nan 8.150 nan 0.000 0.442 714 L N -0.352 120.959 121.223 0.148 0.000 2.093 714 L HA 0.018 4.359 4.340 0.002 0.000 0.208 714 L C 2.689 179.614 176.870 0.091 0.000 1.085 714 L CA 1.931 56.855 54.840 0.140 0.000 0.755 714 L CB -0.751 41.355 42.059 0.079 0.000 0.904 714 L HN 0.347 nan 8.230 nan 0.000 0.435 715 A N -0.333 122.533 122.820 0.078 0.000 1.883 715 A HA -0.195 4.127 4.320 0.002 0.000 0.217 715 A C 2.472 180.096 177.584 0.067 0.000 1.186 715 A CA 2.107 54.182 52.037 0.063 0.000 0.624 715 A CB -1.265 17.779 19.000 0.073 0.000 0.822 715 A HN 0.562 nan 8.150 nan 0.000 0.444 716 A N -0.605 122.283 122.820 0.112 0.000 1.865 716 A HA -0.096 4.225 4.320 0.002 0.000 0.217 716 A C 2.156 179.772 177.584 0.054 0.000 1.191 716 A CA 1.881 53.985 52.037 0.111 0.000 0.623 716 A CB -0.738 18.387 19.000 0.207 0.000 0.826 716 A HN 0.774 nan 8.150 nan 0.000 0.444 717 L N -0.001 121.291 121.223 0.115 0.000 2.131 717 L HA -0.080 4.261 4.340 0.002 0.000 0.210 717 L C 2.604 179.409 176.870 -0.109 0.000 1.092 717 L CA 2.527 57.336 54.840 -0.053 0.000 0.759 717 L CB -0.503 41.565 42.059 0.015 0.000 0.903 717 L HN 0.423 nan 8.230 nan 0.000 0.435 718 S N -1.101 114.564 115.700 -0.059 0.000 2.425 718 S HA 0.007 4.478 4.470 0.002 0.000 0.225 718 S C 2.150 176.702 174.600 -0.080 0.000 1.024 718 S CA 0.707 58.858 58.200 -0.081 0.000 0.951 718 S CB -0.286 62.886 63.200 -0.047 0.000 0.796 718 S HN 0.535 nan 8.310 nan 0.000 0.498 719 A N 1.684 124.464 122.820 -0.066 0.000 1.902 719 A HA 0.241 4.562 4.320 0.002 0.000 0.217 719 A C 2.511 179.983 177.584 -0.186 0.000 1.181 719 A CA 1.774 53.750 52.037 -0.101 0.000 0.623 719 A CB -1.482 17.472 19.000 -0.077 0.000 0.818 719 A HN 0.841 nan 8.150 nan 0.000 0.443 720 A N -0.510 122.208 122.820 -0.169 0.000 1.908 720 A HA -0.066 4.255 4.320 0.002 0.000 0.218 720 A C 2.254 179.717 177.584 -0.201 0.000 1.181 720 A CA 2.019 53.937 52.037 -0.198 0.000 0.627 720 A CB -0.970 17.907 19.000 -0.206 0.000 0.818 720 A HN 0.410 nan 8.150 nan 0.000 0.445 721 V N -0.375 119.429 119.914 -0.184 0.000 2.307 721 V HA -0.195 3.927 4.120 0.002 0.000 0.245 721 V C 3.064 179.076 176.094 -0.136 0.000 1.045 721 V CA 1.883 64.081 62.300 -0.170 0.000 1.024 721 V CB -1.254 30.457 31.823 -0.185 0.000 0.651 721 V HN 0.628 nan 8.190 nan 0.000 0.449 722 A N 0.056 122.809 122.820 -0.111 0.000 1.877 722 A HA -0.075 4.246 4.320 0.002 0.000 0.216 722 A C 2.165 179.716 177.584 -0.056 0.000 1.186 722 A CA 2.061 54.093 52.037 -0.007 0.000 0.620 722 A CB -0.664 18.401 19.000 0.109 0.000 0.822 722 A HN 0.617 nan 8.150 nan 0.000 0.443 723 A N -1.468 121.087 122.820 -0.442 0.000 2.307 723 A HA 0.327 4.648 4.320 0.002 0.000 0.218 723 A C 0.676 178.055 177.584 -0.343 0.000 1.228 723 A CA 0.559 52.142 52.037 -0.757 0.000 0.857 723 A CB -0.534 17.632 19.000 -1.390 0.000 0.897 723 A HN 0.588 nan 8.150 nan 0.000 0.495 724 Q N -0.538 119.133 119.800 -0.215 0.000 2.435 724 Q HA -0.183 4.158 4.340 0.002 0.000 0.312 724 Q C -0.629 175.280 176.000 -0.151 0.000 1.333 724 Q CA 0.369 56.084 55.803 -0.148 0.000 0.883 724 Q CB -1.844 26.838 28.738 -0.093 0.000 1.170 724 Q HN 0.677 nan 8.270 nan 0.000 0.443 725 L N -0.259 120.856 121.223 -0.180 0.000 2.464 725 L HA 0.083 4.424 4.340 0.002 0.000 0.264 725 L C -0.894 175.911 176.870 -0.109 0.000 1.199 725 L CA -1.672 53.076 54.840 -0.153 0.000 0.818 725 L CB 0.137 42.090 42.059 -0.177 0.000 1.102 725 L HN -0.014 nan 8.230 nan 0.000 0.473 726 P HA -0.154 nan 4.420 nan 0.000 0.218 726 P C 1.437 178.704 177.300 -0.056 0.000 1.148 726 P CA 1.117 64.186 63.100 -0.052 0.000 0.822 726 P CB -0.061 31.625 31.700 -0.024 0.000 0.784 727 C N -1.259 117.998 119.300 -0.070 0.000 2.491 727 C HA 0.156 4.617 4.460 0.002 0.000 0.277 727 C C 2.528 177.449 174.990 -0.115 0.000 1.455 727 C CA -0.435 58.539 59.018 -0.074 0.000 1.758 727 C CB -1.935 25.759 27.740 -0.077 0.000 1.745 727 C HN 0.147 nan 8.230 nan 0.000 0.558 728 R N 1.605 122.028 120.500 -0.128 0.000 2.094 728 R HA -0.186 4.155 4.340 0.002 0.000 0.239 728 R C 1.669 177.887 176.300 -0.137 0.000 1.137 728 R CA 2.607 58.612 56.100 -0.158 0.000 0.943 728 R CB -0.546 29.664 30.300 -0.151 0.000 0.850 728 R HN 0.472 nan 8.270 nan 0.000 0.433 729 D N 0.003 120.350 120.400 -0.088 0.000 2.144 729 D HA -0.084 4.557 4.640 0.002 0.000 0.200 729 D C 1.740 178.029 176.300 -0.018 0.000 0.978 729 D CA 1.443 55.413 54.000 -0.049 0.000 0.833 729 D CB -0.252 40.531 40.800 -0.029 0.000 0.961 729 D HN 0.426 nan 8.370 nan 0.000 0.470 730 A N 0.824 123.629 122.820 -0.025 0.000 1.873 730 A HA -0.098 4.223 4.320 0.002 0.000 0.215 730 A C 2.377 179.952 177.584 -0.015 0.000 1.186 730 A CA 0.826 52.869 52.037 0.009 0.000 0.616 730 A CB -0.784 18.233 19.000 0.028 0.000 0.823 730 A HN 0.188 nan 8.150 nan 0.000 0.442 731 L N -1.079 120.051 121.223 -0.155 0.000 2.042 731 L HA -0.230 4.112 4.340 0.002 0.000 0.210 731 L C 2.829 179.576 176.870 -0.204 0.000 1.076 731 L CA 1.260 55.838 54.840 -0.437 0.000 0.749 731 L CB -0.655 40.890 42.059 -0.856 0.000 0.893 731 L HN 0.353 nan 8.230 nan 0.000 0.432 732 M N -0.604 118.958 119.600 -0.063 0.000 2.175 732 M HA -0.198 4.284 4.480 0.002 0.000 0.264 732 M C 2.286 178.846 176.300 0.433 0.000 1.063 732 M CA 1.597 57.008 55.300 0.186 0.000 1.119 732 M CB -0.868 31.737 32.600 0.008 0.000 1.377 732 M HN 0.230 nan 8.290 nan 0.000 0.415 733 Q N 0.868 120.812 119.800 0.241 0.000 2.079 733 Q HA -0.127 4.214 4.340 0.002 0.000 0.200 733 Q C 1.712 177.830 176.000 0.197 0.000 0.974 733 Q CA 1.798 57.733 55.803 0.220 0.000 0.840 733 Q CB -0.143 28.675 28.738 0.134 0.000 0.898 733 Q HN 0.530 nan 8.270 nan 0.000 0.430 734 E N -1.171 119.151 120.200 0.205 0.000 2.085 734 E HA -0.226 4.125 4.350 0.002 0.000 0.194 734 E C 1.753 178.533 176.600 0.300 0.000 0.994 734 E CA 1.298 57.842 56.400 0.239 0.000 0.801 734 E CB -0.291 29.611 29.700 0.337 0.000 0.743 734 E HN 0.497 nan 8.360 nan 0.000 0.453 735 Y N 1.568 122.042 120.300 0.290 0.000 2.200 735 Y HA -0.258 4.293 4.550 0.002 0.000 0.290 735 Y C 2.217 178.160 175.900 0.072 0.000 1.137 735 Y CA 1.692 60.006 58.100 0.357 0.000 1.163 735 Y CB 0.043 38.792 38.460 0.482 0.000 0.988 735 Y HN 0.007 nan 8.280 nan 0.000 0.518 736 D N 0.319 120.788 120.400 0.114 0.000 2.106 736 D HA -0.222 4.419 4.640 0.002 0.000 0.191 736 D C 1.598 177.890 176.300 -0.014 0.000 0.997 736 D CA 1.995 55.852 54.000 -0.239 0.000 0.834 736 D CB -0.350 40.300 40.800 -0.250 0.000 0.956 736 D HN 0.408 nan 8.370 nan 0.000 0.448 737 D N -0.171 120.245 120.400 0.027 0.000 2.144 737 D HA -0.134 4.507 4.640 0.002 0.000 0.199 737 D C 1.966 178.280 176.300 0.022 0.000 0.984 737 D CA 0.737 54.757 54.000 0.034 0.000 0.834 737 D CB -0.150 40.654 40.800 0.006 0.000 0.955 737 D HN 0.346 nan 8.370 nan 0.000 0.465 738 K N -0.798 119.513 120.400 -0.148 0.000 2.062 738 K HA -0.090 4.231 4.320 0.002 0.000 0.205 738 K C 1.374 177.581 176.600 -0.656 0.000 1.051 738 K CA 0.837 56.825 56.287 -0.500 0.000 0.941 738 K CB 0.050 32.088 32.500 -0.769 0.000 0.719 738 K HN 0.149 nan 8.250 nan 0.000 0.440 739 W N -0.018 121.151 121.300 -0.218 0.000 3.008 739 W HA 0.111 4.773 4.660 0.002 0.000 0.355 739 W C 1.417 177.790 176.519 -0.244 0.000 1.095 739 W CA -0.058 57.106 57.345 -0.301 0.000 1.738 739 W CB 0.260 29.418 29.460 -0.504 0.000 1.091 739 W HN 0.340 nan 8.180 nan 0.000 0.574 740 H N -0.672 118.394 119.070 -0.007 0.000 2.457 740 H HA -0.141 4.416 4.556 0.002 0.000 0.297 740 H C 1.541 176.898 175.328 0.047 0.000 1.092 740 H CA 1.696 57.741 56.048 -0.005 0.000 1.309 740 H CB -0.401 29.340 29.762 -0.035 0.000 1.382 740 H HN 0.209 nan 8.280 nan 0.000 0.535 741 Q N -0.052 119.447 119.800 -0.502 0.000 2.403 741 Q HA 0.060 4.401 4.340 0.002 0.000 0.203 741 Q C -0.056 175.906 176.000 -0.064 0.000 0.932 741 Q CA -0.110 55.533 55.803 -0.266 0.000 0.945 741 Q CB 0.382 28.908 28.738 -0.353 0.000 1.045 741 Q HN 0.381 nan 8.270 nan 0.000 0.511 742 N N -0.344 118.360 118.700 0.006 0.000 2.626 742 N HA 0.109 4.850 4.740 0.002 0.000 0.249 742 N C 0.482 176.019 175.510 0.045 0.000 1.021 742 N CA -0.032 53.046 53.050 0.047 0.000 0.886 742 N CB 1.290 39.851 38.487 0.124 0.000 1.149 742 N HN 0.151 nan 8.380 nan 0.000 0.517 743 G N 2.852 111.678 108.800 0.044 0.000 2.513 743 G HA2 -0.238 3.723 3.960 0.002 0.000 0.219 743 G HA3 -0.238 3.723 3.960 0.002 0.000 0.219 743 G C 1.433 176.363 174.900 0.049 0.000 1.160 743 G CA 0.772 45.913 45.100 0.067 0.000 0.767 743 G HN 0.576 nan 8.290 nan 0.000 0.571 744 L N 0.057 121.268 121.223 -0.019 0.000 2.083 744 L HA -0.070 4.271 4.340 0.002 0.000 0.209 744 L C 2.967 179.800 176.870 -0.062 0.000 1.083 744 L CA 0.427 55.234 54.840 -0.056 0.000 0.752 744 L CB -0.483 41.514 42.059 -0.104 0.000 0.899 744 L HN 0.116 nan 8.230 nan 0.000 0.433 745 V N -0.819 119.032 119.914 -0.106 0.000 2.453 745 V HA -0.220 3.901 4.120 0.002 0.000 0.247 745 V C 2.528 178.653 176.094 0.053 0.000 1.048 745 V CA 1.234 63.427 62.300 -0.179 0.000 1.049 745 V CB -0.347 31.136 31.823 -0.566 0.000 0.672 745 V HN 0.358 nan 8.190 nan 0.000 0.457 746 M N -0.340 119.312 119.600 0.086 0.000 2.296 746 M HA -0.127 4.354 4.480 0.002 0.000 0.265 746 M C 1.887 178.270 176.300 0.137 0.000 1.064 746 M CA 1.278 56.624 55.300 0.076 0.000 1.109 746 M CB -1.294 31.295 32.600 -0.017 0.000 1.396 746 M HN 0.345 nan 8.290 nan 0.000 0.430 747 D N 0.906 121.454 120.400 0.246 0.000 2.133 747 D HA -0.169 4.472 4.640 0.002 0.000 0.195 747 D C 1.936 178.361 176.300 0.209 0.000 0.997 747 D CA 1.251 55.438 54.000 0.312 0.000 0.840 747 D CB -0.158 40.739 40.800 0.162 0.000 0.947 747 D HN 0.405 nan 8.370 nan 0.000 0.452 748 K N -0.532 119.941 120.400 0.122 0.000 2.063 748 K HA -0.177 4.144 4.320 0.002 0.000 0.208 748 K C 2.081 178.686 176.600 0.008 0.000 1.048 748 K CA 1.074 57.396 56.287 0.059 0.000 0.928 748 K CB -0.230 32.301 32.500 0.052 0.000 0.713 748 K HN 0.239 nan 8.250 nan 0.000 0.442 749 W N 0.711 121.853 121.300 -0.265 0.000 2.407 749 W HA -0.099 4.562 4.660 0.002 0.000 0.305 749 W C 1.544 177.888 176.519 -0.292 0.000 1.196 749 W CA 1.082 58.168 57.345 -0.431 0.000 1.311 749 W CB -0.154 29.001 29.460 -0.508 0.000 1.135 749 W HN -0.109 nan 8.180 nan 0.000 0.514 750 F N 0.571 120.656 119.950 0.224 0.000 2.161 750 F HA -0.221 4.307 4.527 0.002 0.000 0.300 750 F C 2.207 177.975 175.800 -0.054 0.000 1.089 750 F CA 1.515 59.550 58.000 0.058 0.000 1.282 750 F CB -1.270 37.832 39.000 0.170 0.000 1.010 750 F HN -0.135 nan 8.300 nan 0.000 0.485 751 I N -0.612 120.049 120.570 0.151 0.000 2.226 751 I HA -0.306 3.865 4.170 0.002 0.000 0.245 751 I C 2.355 178.449 176.117 -0.039 0.000 1.100 751 I CA 1.159 62.492 61.300 0.055 0.000 1.374 751 I CB -0.502 37.523 38.000 0.042 0.000 1.057 751 I HN 0.109 nan 8.210 nan 0.000 0.413 752 L N -0.040 121.105 121.223 -0.130 0.000 2.093 752 L HA -0.214 4.127 4.340 0.002 0.000 0.208 752 L C 2.780 179.499 176.870 -0.251 0.000 1.085 752 L CA 1.187 55.902 54.840 -0.207 0.000 0.755 752 L CB -0.622 41.254 42.059 -0.305 0.000 0.904 752 L HN 0.348 nan 8.230 nan 0.000 0.435 753 Q N -0.141 119.453 119.800 -0.344 0.000 2.050 753 Q HA -0.179 4.162 4.340 0.002 0.000 0.202 753 Q C 2.416 178.338 176.000 -0.130 0.000 0.980 753 Q CA 1.777 57.387 55.803 -0.321 0.000 0.840 753 Q CB -0.348 28.131 28.738 -0.433 0.000 0.898 753 Q HN 0.527 nan 8.270 nan 0.000 0.424 754 A N 1.126 123.924 122.820 -0.037 0.000 1.972 754 A HA -0.117 4.204 4.320 0.002 0.000 0.219 754 A C 2.035 179.677 177.584 0.097 0.000 1.169 754 A CA 1.933 54.026 52.037 0.094 0.000 0.635 754 A CB -0.523 18.556 19.000 0.131 0.000 0.810 754 A HN 0.489 nan 8.150 nan 0.000 0.446 755 T N -2.815 111.739 114.554 -0.001 0.000 3.186 755 T HA 0.330 4.681 4.350 0.002 0.000 0.257 755 T C 0.540 175.212 174.700 -0.047 0.000 1.029 755 T CA 0.434 62.515 62.100 -0.032 0.000 0.916 755 T CB -0.401 68.444 68.868 -0.039 0.000 1.041 755 T HN 0.251 nan 8.240 nan 0.000 0.562 756 S N 2.936 118.604 115.700 -0.053 0.000 2.564 756 S HA 0.263 4.734 4.470 0.002 0.000 0.278 756 S C -1.274 173.302 174.600 -0.039 0.000 1.333 756 S CA -1.226 56.934 58.200 -0.067 0.000 1.048 756 S CB 0.925 64.067 63.200 -0.097 0.000 0.900 756 S HN 0.232 nan 8.310 nan 0.000 0.505 757 P HA 0.193 nan 4.420 nan 0.000 0.249 757 P C 0.137 177.426 177.300 -0.018 0.000 1.229 757 P CA 0.025 63.116 63.100 -0.015 0.000 0.788 757 P CB -0.371 31.336 31.700 0.011 0.000 1.072 758 A N 0.729 123.528 122.820 -0.034 0.000 2.561 758 A HA 0.301 4.622 4.320 0.002 0.000 0.234 758 A C 1.843 179.412 177.584 -0.026 0.000 1.055 758 A CA 0.497 52.512 52.037 -0.038 0.000 0.756 758 A CB -0.034 18.931 19.000 -0.058 0.000 0.986 758 A HN 0.202 nan 8.150 nan 0.000 0.505 759 A N 2.121 124.926 122.820 -0.024 0.000 1.972 759 A HA -0.155 4.166 4.320 0.002 0.000 0.219 759 A C 1.463 179.031 177.584 -0.027 0.000 1.169 759 A CA 1.779 53.804 52.037 -0.020 0.000 0.635 759 A CB -0.567 18.422 19.000 -0.019 0.000 0.810 759 A HN 1.076 nan 8.150 nan 0.000 0.446 760 N N 0.064 118.741 118.700 -0.038 0.000 2.295 760 N HA 0.050 4.791 4.740 0.002 0.000 0.221 760 N C 0.836 176.306 175.510 -0.067 0.000 1.129 760 N CA 0.519 53.538 53.050 -0.053 0.000 0.836 760 N CB -0.327 38.127 38.487 -0.056 0.000 1.040 760 N HN 0.137 nan 8.380 nan 0.000 0.494 761 V N 0.311 120.201 119.914 -0.039 0.000 2.324 761 V HA -0.236 3.885 4.120 0.002 0.000 0.250 761 V C 2.009 178.038 176.094 -0.107 0.000 1.060 761 V CA 1.556 63.838 62.300 -0.031 0.000 1.042 761 V CB -0.403 31.454 31.823 0.058 0.000 0.650 761 V HN 0.386 nan 8.190 nan 0.000 0.450 762 L N 0.731 121.875 121.223 -0.131 0.000 2.056 762 L HA -0.139 4.202 4.340 0.002 0.000 0.207 762 L C 2.511 179.123 176.870 -0.430 0.000 1.078 762 L CA 2.719 57.301 54.840 -0.430 0.000 0.749 762 L CB -1.083 40.778 42.059 -0.330 0.000 0.901 762 L HN 0.659 nan 8.230 nan 0.000 0.433 763 E N -1.263 118.787 120.200 -0.249 0.000 2.085 763 E HA -0.245 4.106 4.350 0.002 0.000 0.194 763 E C 1.758 178.243 176.600 -0.191 0.000 0.994 763 E CA 2.006 58.289 56.400 -0.195 0.000 0.801 763 E CB -0.201 29.427 29.700 -0.119 0.000 0.743 763 E HN 0.557 nan 8.360 nan 0.000 0.453 764 T N 0.602 115.050 114.554 -0.177 0.000 2.746 764 T HA -0.110 4.241 4.350 0.002 0.000 0.267 764 T C 1.981 176.564 174.700 -0.196 0.000 1.039 764 T CA 1.324 63.334 62.100 -0.150 0.000 1.142 764 T CB -0.226 68.560 68.868 -0.136 0.000 0.866 764 T HN 0.048 nan 8.240 nan 0.000 0.444 765 V N 1.674 121.401 119.914 -0.313 0.000 2.287 765 V HA -0.215 3.906 4.120 0.002 0.000 0.248 765 V C 2.646 178.485 176.094 -0.424 0.000 1.053 765 V CA 1.695 63.747 62.300 -0.413 0.000 1.027 765 V CB -0.597 30.823 31.823 -0.670 0.000 0.646 765 V HN 0.401 nan 8.190 nan 0.000 0.447 766 R N 0.180 120.388 120.500 -0.488 0.000 2.091 766 R HA -0.130 4.211 4.340 0.002 0.000 0.238 766 R C 2.485 178.702 176.300 -0.139 0.000 1.136 766 R CA 1.562 57.493 56.100 -0.282 0.000 0.959 766 R CB -0.918 29.240 30.300 -0.237 0.000 0.856 766 R HN 0.597 nan 8.270 nan 0.000 0.437 767 G N 1.017 109.749 108.800 -0.114 0.000 2.432 767 G HA2 -0.205 3.756 3.960 0.002 0.000 0.219 767 G HA3 -0.205 3.756 3.960 0.002 0.000 0.219 767 G C 1.393 176.308 174.900 0.025 0.000 1.135 767 G CA 0.360 45.444 45.100 -0.027 0.000 0.767 767 G HN 0.153 nan 8.290 nan 0.000 0.550 768 L N 0.201 121.419 121.223 -0.008 0.000 2.376 768 L HA 0.111 4.452 4.340 0.002 0.000 0.219 768 L C 2.579 179.379 176.870 -0.118 0.000 1.133 768 L CA -0.020 54.866 54.840 0.077 0.000 0.816 768 L CB -0.241 41.873 42.059 0.091 0.000 0.933 768 L HN 0.204 nan 8.230 nan 0.000 0.449 769 L N -0.420 120.641 121.223 -0.269 0.000 2.263 769 L HA -0.220 4.121 4.340 0.002 0.000 0.216 769 L C 2.047 178.972 176.870 0.091 0.000 1.111 769 L CA 0.917 55.586 54.840 -0.285 0.000 0.773 769 L CB -0.381 41.601 42.059 -0.129 0.000 0.906 769 L HN 0.419 nan 8.230 nan 0.000 0.439 770 Q N -1.741 118.130 119.800 0.118 0.000 2.280 770 Q HA 0.094 4.435 4.340 0.002 0.000 0.201 770 Q C 0.468 176.606 176.000 0.230 0.000 0.890 770 Q CA 0.109 56.012 55.803 0.167 0.000 0.947 770 Q CB -0.218 28.581 28.738 0.102 0.000 1.081 770 Q HN 0.449 nan 8.270 nan 0.000 0.502 771 H N 2.287 121.500 119.070 0.237 0.000 2.815 771 H HA 0.009 4.566 4.556 0.002 0.000 0.350 771 H C 1.370 176.874 175.328 0.293 0.000 1.080 771 H CA 0.489 56.719 56.048 0.303 0.000 1.433 771 H CB 0.885 30.956 29.762 0.516 0.000 1.432 771 H HN 0.181 nan 8.280 nan 0.000 0.592 772 R N 1.796 122.218 120.500 -0.131 0.000 2.139 772 R HA -0.108 4.233 4.340 0.002 0.000 0.243 772 R C 1.243 177.700 176.300 0.261 0.000 1.145 772 R CA 1.898 58.014 56.100 0.025 0.000 0.976 772 R CB -0.223 30.012 30.300 -0.108 0.000 0.866 772 R HN 0.275 nan 8.270 nan 0.000 0.449 773 S N -0.163 115.886 115.700 0.581 0.000 2.548 773 S HA 0.104 4.575 4.470 0.002 0.000 0.215 773 S C -0.017 174.938 174.600 0.591 0.000 0.976 773 S CA -0.375 58.169 58.200 0.572 0.000 0.908 773 S CB -0.043 63.489 63.200 0.555 0.000 0.781 773 S HN 0.273 nan 8.310 nan 0.000 0.519 774 F N 2.575 122.791 119.950 0.444 0.000 2.385 774 F HA 0.575 5.103 4.527 0.002 0.000 0.336 774 F C 0.150 175.998 175.800 0.079 0.000 1.100 774 F CA -0.022 58.036 58.000 0.098 0.000 1.116 774 F CB 1.364 40.306 39.000 -0.097 0.000 1.166 774 F HN -0.143 nan 8.300 nan 0.000 0.511 775 T N 6.833 120.764 114.554 -1.039 0.000 2.993 775 T HA 0.227 4.578 4.350 0.002 0.000 0.312 775 T C 0.629 174.792 174.700 -0.895 0.000 1.115 775 T CA -0.794 60.898 62.100 -0.680 0.000 1.027 775 T CB 1.064 69.825 68.868 -0.178 0.000 1.116 775 T HN 0.655 nan 8.240 nan 0.000 0.464 776 M N 2.800 122.162 119.600 -0.396 0.000 2.446 776 M HA -0.004 4.477 4.480 0.002 0.000 0.263 776 M C 2.259 178.501 176.300 -0.097 0.000 1.066 776 M CA 1.269 56.480 55.300 -0.149 0.000 1.087 776 M CB -1.281 31.346 32.600 0.045 0.000 1.406 776 M HN 0.814 nan 8.290 nan 0.000 0.459 777 S N -0.816 114.851 115.700 -0.056 0.000 2.561 777 S HA 0.009 4.480 4.470 0.002 0.000 0.225 777 S C 0.804 175.528 174.600 0.206 0.000 0.977 777 S CA -0.071 58.173 58.200 0.074 0.000 0.926 777 S CB -0.193 63.077 63.200 0.116 0.000 0.769 777 S HN 0.461 nan 8.310 nan 0.000 0.533 778 N N 1.688 120.395 118.700 0.013 0.000 2.479 778 N HA 0.341 5.082 4.740 0.002 0.000 0.261 778 N C -2.592 172.828 175.510 -0.152 0.000 0.979 778 N CA -1.957 51.027 53.050 -0.111 0.000 0.930 778 N CB 2.062 40.336 38.487 -0.356 0.000 1.172 778 N HN -0.115 nan 8.380 nan 0.000 0.499 779 P HA -0.095 nan 4.420 nan 0.000 0.216 779 P C 0.829 178.087 177.300 -0.071 0.000 1.153 779 P CA 1.172 64.231 63.100 -0.069 0.000 0.858 779 P CB 0.455 32.123 31.700 -0.052 0.000 0.789 780 N N -0.807 117.835 118.700 -0.097 0.000 2.069 780 N HA -0.144 4.597 4.740 0.002 0.000 0.191 780 N C 1.692 177.180 175.510 -0.037 0.000 1.031 780 N CA 1.195 54.205 53.050 -0.067 0.000 0.852 780 N CB -0.656 37.776 38.487 -0.091 0.000 1.018 780 N HN 0.090 nan 8.380 nan 0.000 0.423 781 R N 0.804 121.243 120.500 -0.101 0.000 2.096 781 R HA 0.053 4.394 4.340 0.002 0.000 0.235 781 R C 2.346 178.681 176.300 0.059 0.000 1.127 781 R CA 0.505 56.546 56.100 -0.098 0.000 0.968 781 R CB -0.960 29.076 30.300 -0.438 0.000 0.861 781 R HN 0.378 nan 8.270 nan 0.000 0.440 782 I N 0.543 121.119 120.570 0.010 0.000 2.179 782 I HA -0.265 3.906 4.170 0.002 0.000 0.242 782 I C 2.447 178.628 176.117 0.106 0.000 1.088 782 I CA 1.439 62.824 61.300 0.142 0.000 1.357 782 I CB -0.268 37.755 38.000 0.039 0.000 1.051 782 I HN 0.064 nan 8.210 nan 0.000 0.409 783 R N 0.294 120.822 120.500 0.046 0.000 2.096 783 R HA -0.084 4.257 4.340 0.002 0.000 0.235 783 R C 2.444 178.783 176.300 0.064 0.000 1.127 783 R CA 1.505 57.626 56.100 0.036 0.000 0.968 783 R CB -0.310 29.997 30.300 0.010 0.000 0.861 783 R HN 0.219 nan 8.270 nan 0.000 0.440 784 S N 0.248 116.003 115.700 0.092 0.000 2.428 784 S HA -0.040 4.431 4.470 0.002 0.000 0.230 784 S C 1.487 176.182 174.600 0.158 0.000 1.014 784 S CA 0.750 59.033 58.200 0.139 0.000 0.957 784 S CB 0.020 63.353 63.200 0.222 0.000 0.784 784 S HN 0.157 nan 8.310 nan 0.000 0.499 785 L N 0.622 121.909 121.223 0.107 0.000 2.379 785 L HA 0.433 4.774 4.340 0.002 0.000 0.190 785 L C 1.699 178.615 176.870 0.075 0.000 1.111 785 L CA 1.133 55.990 54.840 0.028 0.000 0.820 785 L CB -0.460 41.428 42.059 -0.285 0.000 1.046 785 L HN 0.160 nan 8.230 nan 0.000 0.485 786 I N -0.161 120.464 120.570 0.092 0.000 2.277 786 I HA -0.050 4.121 4.170 0.002 0.000 0.243 786 I C 2.401 178.605 176.117 0.144 0.000 1.094 786 I CA 1.171 62.565 61.300 0.156 0.000 1.393 786 I CB -1.012 37.034 38.000 0.077 0.000 1.078 786 I HN 0.407 nan 8.210 nan 0.000 0.417 787 G N 0.631 109.474 108.800 0.072 0.000 2.422 787 G HA2 -0.215 3.746 3.960 0.002 0.000 0.218 787 G HA3 -0.215 3.746 3.960 0.002 0.000 0.218 787 G C 1.843 176.752 174.900 0.015 0.000 1.146 787 G CA 0.861 45.972 45.100 0.018 0.000 0.769 787 G HN 0.475 nan 8.290 nan 0.000 0.547 788 A N 0.293 123.147 122.820 0.057 0.000 1.929 788 A HA 0.150 4.471 4.320 0.002 0.000 0.216 788 A C 2.115 179.728 177.584 0.048 0.000 1.176 788 A CA 1.388 53.450 52.037 0.042 0.000 0.628 788 A CB -0.489 18.547 19.000 0.062 0.000 0.816 788 A HN 0.383 nan 8.150 nan 0.000 0.444 789 F N 1.112 121.046 119.950 -0.025 0.000 2.046 789 F HA -0.111 4.417 4.527 0.002 0.000 0.297 789 F C 2.520 178.281 175.800 -0.065 0.000 1.123 789 F CA 1.689 59.677 58.000 -0.020 0.000 1.199 789 F CB -0.485 38.529 39.000 0.024 0.000 0.972 789 F HN 0.232 nan 8.300 nan 0.000 0.474 790 A N -0.244 122.547 122.820 -0.049 0.000 1.930 790 A HA 0.036 4.357 4.320 0.002 0.000 0.217 790 A C 2.337 179.519 177.584 -0.669 0.000 1.175 790 A CA 1.621 53.281 52.037 -0.628 0.000 0.627 790 A CB -1.619 17.025 19.000 -0.592 0.000 0.815 790 A HN 0.549 nan 8.150 nan 0.000 0.443 791 G N -2.158 106.449 108.800 -0.321 0.000 2.656 791 G HA2 0.195 4.156 3.960 0.002 0.000 0.211 791 G HA3 0.195 4.156 3.960 0.002 0.000 0.211 791 G C 1.265 176.096 174.900 -0.115 0.000 1.137 791 G CA 1.001 45.979 45.100 -0.204 0.000 0.802 791 G HN 0.456 nan 8.290 nan 0.000 0.527 792 S N 0.045 115.679 115.700 -0.111 0.000 2.603 792 S HA 0.184 4.655 4.470 0.002 0.000 0.232 792 S C 0.557 175.102 174.600 -0.091 0.000 1.016 792 S CA -0.414 57.745 58.200 -0.068 0.000 0.976 792 S CB 0.310 63.487 63.200 -0.038 0.000 0.921 792 S HN 0.242 nan 8.310 nan 0.000 0.516 793 N N 2.250 120.843 118.700 -0.178 0.000 2.735 793 N HA 0.267 5.009 4.740 0.002 0.000 0.312 793 N C -2.246 173.139 175.510 -0.209 0.000 1.843 793 N CA -2.102 50.816 53.050 -0.220 0.000 0.945 793 N CB 0.761 39.050 38.487 -0.330 0.000 1.299 793 N HN 0.028 nan 8.380 nan 0.000 0.489 794 P HA -0.157 nan 4.420 nan 0.000 0.217 794 P C 1.082 178.474 177.300 0.153 0.000 1.148 794 P CA 1.038 64.241 63.100 0.172 0.000 0.828 794 P CB 0.299 32.152 31.700 0.255 0.000 0.783 795 A N 0.166 123.004 122.820 0.030 0.000 1.902 795 A HA -0.051 4.270 4.320 0.002 0.000 0.217 795 A C 2.413 179.969 177.584 -0.047 0.000 1.181 795 A CA 2.240 54.279 52.037 0.004 0.000 0.623 795 A CB -1.375 17.609 19.000 -0.027 0.000 0.818 795 A HN 0.258 nan 8.150 nan 0.000 0.443 796 A N -1.700 121.037 122.820 -0.137 0.000 1.943 796 A HA 0.191 4.512 4.320 0.002 0.000 0.213 796 A C 1.943 179.381 177.584 -0.242 0.000 1.181 796 A CA 1.124 53.066 52.037 -0.158 0.000 0.653 796 A CB -0.596 18.323 19.000 -0.134 0.000 0.833 796 A HN 0.607 nan 8.150 nan 0.000 0.451 797 F N 0.823 120.398 119.950 -0.625 0.000 2.171 797 F HA -0.154 4.374 4.527 0.002 0.000 0.300 797 F C 1.669 177.129 175.800 -0.567 0.000 1.090 797 F CA 1.596 59.235 58.000 -0.601 0.000 1.293 797 F CB -0.211 38.413 39.000 -0.626 0.000 1.013 797 F HN 0.367 nan 8.300 nan 0.000 0.486 798 H N 0.617 119.453 119.070 -0.391 0.000 2.568 798 H HA 0.439 4.996 4.556 0.002 0.000 0.302 798 H C 0.777 175.912 175.328 -0.322 0.000 1.065 798 H CA 0.205 55.993 56.048 -0.433 0.000 1.140 798 H CB -0.983 28.677 29.762 -0.170 0.000 1.474 798 H HN 0.197 nan 8.280 nan 0.000 0.545 799 A N 1.021 123.688 122.820 -0.255 0.000 2.603 799 A HA -0.103 4.218 4.320 0.002 0.000 0.235 799 A C 1.441 178.918 177.584 -0.178 0.000 1.035 799 A CA 0.123 52.059 52.037 -0.167 0.000 0.755 799 A CB 0.342 19.254 19.000 -0.147 0.000 0.954 799 A HN 0.515 nan 8.150 nan 0.000 0.511 800 E N 0.849 121.002 120.200 -0.079 0.000 2.153 800 E HA -0.204 4.147 4.350 0.002 0.000 0.194 800 E C 0.940 177.514 176.600 -0.044 0.000 0.988 800 E CA 1.255 57.632 56.400 -0.037 0.000 0.811 800 E CB -0.048 29.648 29.700 -0.006 0.000 0.746 800 E HN 0.938 nan 8.360 nan 0.000 0.466 801 D N -0.375 119.986 120.400 -0.065 0.000 2.392 801 D HA -0.058 4.584 4.640 0.002 0.000 0.228 801 D C 1.282 177.537 176.300 -0.074 0.000 1.003 801 D CA 0.899 54.868 54.000 -0.052 0.000 0.917 801 D CB -0.301 40.471 40.800 -0.047 0.000 0.890 801 D HN 0.210 nan 8.370 nan 0.000 0.532 802 G N 0.149 108.847 108.800 -0.171 0.000 2.155 802 G HA2 -0.389 3.572 3.960 0.002 0.000 0.257 802 G HA3 -0.389 3.572 3.960 0.002 0.000 0.257 802 G C 1.203 175.948 174.900 -0.259 0.000 0.983 802 G CA 1.164 46.116 45.100 -0.248 0.000 0.676 802 G HN 0.688 nan 8.290 nan 0.000 0.528 803 S N -0.545 115.031 115.700 -0.207 0.000 2.399 803 S HA 0.084 4.555 4.470 0.002 0.000 0.231 803 S C 2.511 177.066 174.600 -0.076 0.000 1.022 803 S CA 1.564 59.701 58.200 -0.104 0.000 0.983 803 S CB -0.691 62.463 63.200 -0.076 0.000 0.803 803 S HN 1.534 nan 8.310 nan 0.000 0.480 804 G N 0.744 109.405 108.800 -0.231 0.000 2.446 804 G HA2 -0.149 3.812 3.960 0.002 0.000 0.217 804 G HA3 -0.149 3.812 3.960 0.002 0.000 0.217 804 G C 1.207 176.123 174.900 0.026 0.000 1.168 804 G CA 1.025 46.103 45.100 -0.037 0.000 0.771 804 G HN 0.603 nan 8.290 nan 0.000 0.551 805 Y N 0.736 120.919 120.300 -0.194 0.000 2.181 805 Y HA 0.066 4.617 4.550 0.002 0.000 0.288 805 Y C 2.776 178.706 175.900 0.050 0.000 1.146 805 Y CA 0.219 58.252 58.100 -0.113 0.000 1.164 805 Y CB -0.930 37.412 38.460 -0.196 0.000 0.982 805 Y HN 0.080 nan 8.280 nan 0.000 0.515 806 L N -1.626 119.702 121.223 0.176 0.000 2.056 806 L HA -0.211 4.130 4.340 0.002 0.000 0.207 806 L C 2.359 179.313 176.870 0.141 0.000 1.078 806 L CA 1.423 56.341 54.840 0.130 0.000 0.749 806 L CB -0.754 41.357 42.059 0.088 0.000 0.901 806 L HN 0.168 nan 8.230 nan 0.000 0.433 807 F N 0.968 120.939 119.950 0.036 0.000 2.069 807 F HA -0.285 4.243 4.527 0.002 0.000 0.298 807 F C 2.266 178.102 175.800 0.060 0.000 1.113 807 F CA 1.708 59.711 58.000 0.005 0.000 1.214 807 F CB -0.364 38.590 39.000 -0.077 0.000 0.978 807 F HN -0.079 nan 8.300 nan 0.000 0.474 808 L N -0.031 121.205 121.223 0.021 0.000 2.083 808 L HA -0.133 4.208 4.340 0.002 0.000 0.209 808 L C 2.262 179.084 176.870 -0.080 0.000 1.083 808 L CA 1.502 56.307 54.840 -0.058 0.000 0.752 808 L CB -0.940 41.291 42.059 0.287 0.000 0.899 808 L HN 0.089 nan 8.230 nan 0.000 0.433 809 V N -0.317 119.602 119.914 0.009 0.000 2.332 809 V HA -0.317 3.804 4.120 0.002 0.000 0.248 809 V C 2.613 178.674 176.094 -0.055 0.000 1.055 809 V CA 2.082 64.381 62.300 -0.002 0.000 1.038 809 V CB -0.607 31.236 31.823 0.035 0.000 0.651 809 V HN 0.558 nan 8.190 nan 0.000 0.450 810 E N -0.568 119.576 120.200 -0.093 0.000 2.051 810 E HA -0.232 4.119 4.350 0.002 0.000 0.192 810 E C 2.311 178.820 176.600 -0.152 0.000 0.991 810 E CA 1.427 57.766 56.400 -0.103 0.000 0.799 810 E CB -0.050 29.592 29.700 -0.098 0.000 0.748 810 E HN 0.384 nan 8.360 nan 0.000 0.449 811 M N 0.148 119.580 119.600 -0.281 0.000 2.175 811 M HA -0.116 4.365 4.480 0.002 0.000 0.264 811 M C 2.342 178.561 176.300 -0.135 0.000 1.063 811 M CA 1.131 56.276 55.300 -0.258 0.000 1.119 811 M CB -0.739 31.603 32.600 -0.431 0.000 1.377 811 M HN 0.186 nan 8.290 nan 0.000 0.415 812 L N -0.805 120.351 121.223 -0.112 0.000 2.313 812 L HA -0.101 4.240 4.340 0.002 0.000 0.214 812 L C 2.258 179.103 176.870 -0.040 0.000 1.119 812 L CA 0.729 55.532 54.840 -0.062 0.000 0.809 812 L CB -0.751 41.283 42.059 -0.041 0.000 0.933 812 L HN 0.288 nan 8.230 nan 0.000 0.449 813 T N -1.096 113.434 114.554 -0.041 0.000 2.821 813 T HA -0.197 4.154 4.350 0.002 0.000 0.267 813 T C 1.607 176.295 174.700 -0.021 0.000 1.046 813 T CA 1.445 63.532 62.100 -0.022 0.000 1.139 813 T CB -0.149 68.708 68.868 -0.018 0.000 0.871 813 T HN 0.373 nan 8.240 nan 0.000 0.454 814 D N 1.219 121.601 120.400 -0.030 0.000 2.084 814 D HA -0.047 4.594 4.640 0.002 0.000 0.196 814 D C 2.049 178.337 176.300 -0.020 0.000 0.985 814 D CA 0.998 54.986 54.000 -0.019 0.000 0.826 814 D CB -0.195 40.595 40.800 -0.016 0.000 0.978 814 D HN 0.321 nan 8.370 nan 0.000 0.456 815 L N 0.383 121.589 121.223 -0.029 0.000 2.240 815 L HA -0.059 4.282 4.340 0.002 0.000 0.211 815 L C 2.309 179.161 176.870 -0.031 0.000 1.106 815 L CA 0.570 55.391 54.840 -0.032 0.000 0.793 815 L CB -0.486 41.550 42.059 -0.039 0.000 0.927 815 L HN 0.081 nan 8.230 nan 0.000 0.446 816 N N -0.154 118.532 118.700 -0.024 0.000 2.137 816 N HA -0.205 4.536 4.740 0.002 0.000 0.190 816 N C 1.745 177.247 175.510 -0.013 0.000 1.017 816 N CA 1.969 55.011 53.050 -0.015 0.000 0.859 816 N CB 0.101 38.586 38.487 -0.003 0.000 1.002 816 N HN 0.138 nan 8.380 nan 0.000 0.428 817 S N -0.761 114.931 115.700 -0.013 0.000 2.421 817 S HA 0.076 4.547 4.470 0.002 0.000 0.224 817 S C 1.772 176.361 174.600 -0.019 0.000 1.035 817 S CA 0.121 58.315 58.200 -0.011 0.000 0.953 817 S CB -0.082 63.115 63.200 -0.005 0.000 0.810 817 S HN 0.359 nan 8.310 nan 0.000 0.497 818 R N 1.456 121.942 120.500 -0.024 0.000 2.057 818 R HA 0.077 4.418 4.340 0.002 0.000 0.229 818 R C -0.025 176.244 176.300 -0.051 0.000 1.136 818 R CA 1.212 57.293 56.100 -0.031 0.000 0.952 818 R CB 0.142 30.427 30.300 -0.025 0.000 0.848 818 R HN 0.224 nan 8.270 nan 0.000 0.430 819 N N -0.736 117.929 118.700 -0.057 0.000 2.824 819 N HA 0.140 4.881 4.740 0.002 0.000 0.224 819 N C -2.488 172.975 175.510 -0.079 0.000 1.418 819 N CA -1.259 51.740 53.050 -0.084 0.000 0.743 819 N CB 1.638 40.071 38.487 -0.089 0.000 1.395 819 N HN -0.082 nan 8.380 nan 0.000 0.548 820 P HA -0.120 nan 4.420 nan 0.000 0.218 820 P C 1.057 178.312 177.300 -0.076 0.000 1.148 820 P CA 1.314 64.379 63.100 -0.059 0.000 0.822 820 P CB 0.583 32.257 31.700 -0.043 0.000 0.784 821 Q N -0.828 118.906 119.800 -0.109 0.000 2.079 821 Q HA -0.074 4.268 4.340 0.002 0.000 0.200 821 Q C 2.110 178.039 176.000 -0.119 0.000 0.974 821 Q CA 1.156 56.882 55.803 -0.129 0.000 0.840 821 Q CB -0.606 28.022 28.738 -0.183 0.000 0.898 821 Q HN 0.106 nan 8.270 nan 0.000 0.430 822 V N 1.001 120.847 119.914 -0.113 0.000 2.358 822 V HA -0.264 3.857 4.120 0.002 0.000 0.246 822 V C 2.290 178.342 176.094 -0.070 0.000 1.047 822 V CA 1.675 63.920 62.300 -0.091 0.000 1.035 822 V CB -1.028 30.746 31.823 -0.083 0.000 0.658 822 V HN 0.387 nan 8.190 nan 0.000 0.452 823 A N -0.332 122.449 122.820 -0.064 0.000 1.892 823 A HA -0.294 4.027 4.320 0.002 0.000 0.218 823 A C 2.563 180.116 177.584 -0.052 0.000 1.188 823 A CA 2.571 54.577 52.037 -0.052 0.000 0.631 823 A CB -0.860 18.116 19.000 -0.041 0.000 0.822 823 A HN 0.510 nan 8.150 nan 0.000 0.447 824 S N -1.384 114.281 115.700 -0.057 0.000 2.428 824 S HA -0.076 4.395 4.470 0.002 0.000 0.230 824 S C 2.101 176.661 174.600 -0.067 0.000 1.014 824 S CA 1.041 59.207 58.200 -0.058 0.000 0.957 824 S CB -0.308 62.856 63.200 -0.061 0.000 0.784 824 S HN 0.584 nan 8.310 nan 0.000 0.499 825 R N -0.128 120.328 120.500 -0.074 0.000 2.066 825 R HA 0.069 4.410 4.340 0.002 0.000 0.232 825 R C 1.969 178.229 176.300 -0.067 0.000 1.131 825 R CA 1.372 57.428 56.100 -0.073 0.000 0.955 825 R CB -0.388 29.865 30.300 -0.078 0.000 0.851 825 R HN 0.320 nan 8.270 nan 0.000 0.432 826 L N 0.509 121.693 121.223 -0.065 0.000 2.201 826 L HA -0.094 4.247 4.340 0.002 0.000 0.212 826 L C 2.053 178.880 176.870 -0.072 0.000 1.105 826 L CA 1.298 56.097 54.840 -0.070 0.000 0.775 826 L CB -0.263 41.760 42.059 -0.061 0.000 0.913 826 L HN 0.218 nan 8.230 nan 0.000 0.440 827 I N -0.997 119.542 120.570 -0.052 0.000 2.830 827 I HA -0.218 3.953 4.170 0.002 0.000 0.263 827 I C 2.290 178.391 176.117 -0.026 0.000 1.230 827 I CA 0.487 61.769 61.300 -0.030 0.000 1.480 827 I CB 0.201 38.190 38.000 -0.018 0.000 1.095 827 I HN 0.261 nan 8.210 nan 0.000 0.455 828 E N 1.590 121.765 120.200 -0.042 0.000 2.114 828 E HA -0.226 4.125 4.350 0.002 0.000 0.199 828 E C -0.755 175.846 176.600 0.002 0.000 1.008 828 E CA 1.959 58.346 56.400 -0.022 0.000 0.810 828 E CB -1.061 28.620 29.700 -0.031 0.000 0.739 828 E HN 0.368 nan 8.360 nan 0.000 0.456 829 P HA -0.127 nan 4.420 nan 0.000 0.221 829 P C 1.019 178.412 177.300 0.154 0.000 1.145 829 P CA 0.775 63.854 63.100 -0.035 0.000 0.795 829 P CB 0.084 31.519 31.700 -0.442 0.000 0.775 830 L N -0.599 120.703 121.223 0.132 0.000 2.307 830 L HA 0.064 4.405 4.340 0.002 0.000 0.211 830 L C 1.829 178.750 176.870 0.084 0.000 1.099 830 L CA 1.111 56.046 54.840 0.158 0.000 0.816 830 L CB -0.970 41.166 42.059 0.128 0.000 0.952 830 L HN -0.057 nan 8.230 nan 0.000 0.455 831 I N -3.843 116.772 120.570 0.075 0.000 3.564 831 I HA 0.029 4.200 4.170 0.002 0.000 0.294 831 I C 1.405 177.583 176.117 0.102 0.000 1.289 831 I CA 0.548 61.885 61.300 0.061 0.000 1.325 831 I CB -0.332 37.687 38.000 0.031 0.000 1.039 831 I HN -0.058 nan 8.210 nan 0.000 0.474 832 R N 1.960 122.560 120.500 0.166 0.000 2.335 832 R HA 0.192 4.533 4.340 0.002 0.000 0.223 832 R C 2.027 178.521 176.300 0.325 0.000 0.940 832 R CA 0.392 56.640 56.100 0.246 0.000 1.086 832 R CB -0.817 29.689 30.300 0.344 0.000 1.073 832 R HN 0.653 nan 8.270 nan 0.000 0.504 833 L N -1.102 120.249 121.223 0.213 0.000 2.129 833 L HA -0.131 4.211 4.340 0.002 0.000 0.212 833 L C 1.642 178.644 176.870 0.220 0.000 1.087 833 L CA 1.568 56.525 54.840 0.195 0.000 0.757 833 L CB -0.385 41.697 42.059 0.039 0.000 0.896 833 L HN -0.113 nan 8.230 nan 0.000 0.434 834 K N -0.150 120.339 120.400 0.147 0.000 2.442 834 K HA 0.008 4.329 4.320 0.002 0.000 0.198 834 K C 1.951 178.586 176.600 0.057 0.000 1.042 834 K CA 0.529 56.871 56.287 0.091 0.000 0.958 834 K CB 0.053 32.591 32.500 0.063 0.000 0.766 834 K HN 0.237 nan 8.250 nan 0.000 0.474 835 R N -0.644 119.887 120.500 0.051 0.000 2.297 835 R HA 0.084 4.426 4.340 0.002 0.000 0.197 835 R C -0.058 175.976 176.300 -0.443 0.000 0.943 835 R CA 0.474 56.466 56.100 -0.180 0.000 1.038 835 R CB 0.081 30.228 30.300 -0.255 0.000 0.957 835 R HN 0.163 nan 8.270 nan 0.000 0.484 836 Y N 0.379 120.664 120.300 -0.026 0.000 2.568 836 Y HA 0.129 4.681 4.550 0.002 0.000 0.327 836 Y C 0.643 176.523 175.900 -0.033 0.000 1.163 836 Y CA -1.760 56.302 58.100 -0.063 0.000 1.219 836 Y CB 0.672 39.071 38.460 -0.101 0.000 1.308 836 Y HN 0.050 nan 8.280 nan 0.000 0.503 837 D N -0.160 120.310 120.400 0.116 0.000 2.361 837 D HA 0.256 4.897 4.640 0.002 0.000 0.239 837 D C 0.852 177.196 176.300 0.074 0.000 1.200 837 D CA 0.130 54.168 54.000 0.064 0.000 0.915 837 D CB 0.865 41.694 40.800 0.048 0.000 1.170 837 D HN 0.613 nan 8.370 nan 0.000 0.444 838 A N 0.666 123.515 122.820 0.048 0.000 1.902 838 A HA -0.206 4.115 4.320 0.002 0.000 0.217 838 A C 2.050 179.659 177.584 0.041 0.000 1.181 838 A CA 1.247 53.309 52.037 0.040 0.000 0.623 838 A CB -0.710 18.307 19.000 0.029 0.000 0.818 838 A HN 0.599 nan 8.150 nan 0.000 0.443 839 K N -0.536 119.891 120.400 0.045 0.000 2.032 839 K HA -0.155 4.167 4.320 0.002 0.000 0.209 839 K C 2.350 178.989 176.600 0.065 0.000 1.048 839 K CA 1.574 57.890 56.287 0.049 0.000 0.927 839 K CB -0.219 32.311 32.500 0.049 0.000 0.712 839 K HN 0.439 nan 8.250 nan 0.000 0.441 840 R N 0.551 121.103 120.500 0.087 0.000 2.073 840 R HA -0.126 4.215 4.340 0.002 0.000 0.234 840 R C 2.440 178.740 176.300 0.000 0.000 1.134 840 R CA 1.408 57.571 56.100 0.106 0.000 0.952 840 R CB -0.210 30.182 30.300 0.154 0.000 0.850 840 R HN 0.340 nan 8.270 nan 0.000 0.433 841 Q N 0.305 120.123 119.800 0.029 0.000 2.152 841 Q HA -0.254 4.087 4.340 0.002 0.000 0.206 841 Q C 2.058 178.034 176.000 -0.041 0.000 0.985 841 Q CA 1.968 57.767 55.803 -0.007 0.000 0.863 841 Q CB -0.117 28.640 28.738 0.031 0.000 0.904 841 Q HN 0.420 nan 8.270 nan 0.000 0.422 842 E N 1.381 121.574 120.200 -0.012 0.000 2.077 842 E HA -0.179 4.172 4.350 0.002 0.000 0.193 842 E C 1.656 178.238 176.600 -0.030 0.000 0.989 842 E CA 1.314 57.708 56.400 -0.011 0.000 0.800 842 E CB 0.055 29.761 29.700 0.011 0.000 0.746 842 E HN 0.171 nan 8.360 nan 0.000 0.452 843 K N -0.141 120.240 120.400 -0.031 0.000 2.097 843 K HA -0.050 4.271 4.320 0.002 0.000 0.205 843 K C 2.289 178.771 176.600 -0.197 0.000 1.050 843 K CA 1.641 57.911 56.287 -0.027 0.000 0.938 843 K CB -0.171 32.412 32.500 0.138 0.000 0.718 843 K HN 0.295 nan 8.250 nan 0.000 0.442 844 M N 0.201 119.551 119.600 -0.416 0.000 2.132 844 M HA -0.112 4.369 4.480 0.002 0.000 0.263 844 M C 2.372 178.550 176.300 -0.203 0.000 1.065 844 M CA 1.338 56.338 55.300 -0.500 0.000 1.122 844 M CB -0.219 32.056 32.600 -0.543 0.000 1.365 844 M HN 0.052 nan 8.290 nan 0.000 0.411 845 R N 0.539 120.965 120.500 -0.123 0.000 2.083 845 R HA -0.168 4.173 4.340 0.002 0.000 0.237 845 R C 2.206 178.481 176.300 -0.042 0.000 1.137 845 R CA 1.878 57.943 56.100 -0.058 0.000 0.951 845 R CB -0.321 29.960 30.300 -0.033 0.000 0.851 845 R HN 0.392 nan 8.270 nan 0.000 0.434 846 A N 0.399 123.195 122.820 -0.040 0.000 1.902 846 A HA -0.110 4.211 4.320 0.002 0.000 0.217 846 A C 2.327 179.906 177.584 -0.008 0.000 1.181 846 A CA 1.670 53.699 52.037 -0.014 0.000 0.623 846 A CB -0.820 18.180 19.000 -0.001 0.000 0.818 846 A HN 0.528 nan 8.150 nan 0.000 0.443 847 A N -0.140 122.667 122.820 -0.021 0.000 1.865 847 A HA -0.108 4.213 4.320 0.002 0.000 0.217 847 A C 2.185 179.769 177.584 -0.001 0.000 1.191 847 A CA 1.629 53.666 52.037 -0.000 0.000 0.623 847 A CB -0.733 18.265 19.000 -0.002 0.000 0.826 847 A HN 0.475 nan 8.150 nan 0.000 0.444 848 L N -0.763 120.448 121.223 -0.020 0.000 2.042 848 L HA -0.249 4.092 4.340 0.002 0.000 0.210 848 L C 2.632 179.502 176.870 -0.000 0.000 1.076 848 L CA 1.868 56.702 54.840 -0.010 0.000 0.749 848 L CB -0.584 41.462 42.059 -0.022 0.000 0.893 848 L HN 0.487 nan 8.230 nan 0.000 0.432 849 E N -0.786 119.414 120.200 -0.000 0.000 2.110 849 E HA -0.248 4.103 4.350 0.002 0.000 0.193 849 E C 2.287 178.897 176.600 0.017 0.000 0.988 849 E CA 0.780 57.186 56.400 0.009 0.000 0.804 849 E CB -0.049 29.656 29.700 0.008 0.000 0.745 849 E HN 0.404 nan 8.360 nan 0.000 0.458 850 Q N 0.501 120.311 119.800 0.016 0.000 2.045 850 Q HA -0.191 4.151 4.340 0.002 0.000 0.206 850 Q C 2.388 178.400 176.000 0.021 0.000 0.991 850 Q CA 1.328 57.142 55.803 0.019 0.000 0.851 850 Q CB -0.254 28.496 28.738 0.020 0.000 0.911 850 Q HN 0.359 nan 8.270 nan 0.000 0.418 851 L N 0.420 121.655 121.223 0.020 0.000 2.083 851 L HA -0.187 4.155 4.340 0.002 0.000 0.209 851 L C 2.586 179.477 176.870 0.035 0.000 1.083 851 L CA 1.237 56.091 54.840 0.023 0.000 0.752 851 L CB -0.405 41.664 42.059 0.018 0.000 0.899 851 L HN 0.170 nan 8.230 nan 0.000 0.433 852 K N 0.435 120.857 120.400 0.036 0.000 2.209 852 K HA -0.116 4.205 4.320 0.002 0.000 0.204 852 K C 1.764 178.402 176.600 0.065 0.000 1.048 852 K CA 1.225 57.547 56.287 0.058 0.000 0.940 852 K CB -0.151 32.377 32.500 0.046 0.000 0.729 852 K HN 0.321 nan 8.250 nan 0.000 0.451 853 G N 0.743 109.571 108.800 0.046 0.000 2.985 853 G HA2 0.089 4.050 3.960 0.002 0.000 0.209 853 G HA3 0.089 4.050 3.960 0.002 0.000 0.209 853 G C 0.193 175.115 174.900 0.036 0.000 1.165 853 G CA -0.387 44.737 45.100 0.041 0.000 0.776 853 G HN 0.103 nan 8.290 nan 0.000 0.541 854 L N 1.909 123.154 121.223 0.037 0.000 2.499 854 L HA 0.123 4.464 4.340 0.002 0.000 0.273 854 L C 0.980 177.868 176.870 0.030 0.000 1.195 854 L CA -0.348 54.510 54.840 0.029 0.000 0.882 854 L CB 0.564 42.640 42.059 0.027 0.000 1.133 854 L HN 0.453 nan 8.230 nan 0.000 0.483 855 E N 3.254 123.467 120.200 0.022 0.000 2.392 855 E HA 0.008 4.359 4.350 0.002 0.000 0.264 855 E C -0.278 176.331 176.600 0.017 0.000 1.024 855 E CA -0.405 56.006 56.400 0.019 0.000 0.903 855 E CB 0.093 29.802 29.700 0.015 0.000 0.963 855 E HN 0.657 nan 8.360 nan 0.000 0.432 856 N N 0.277 118.985 118.700 0.013 0.000 2.725 856 N HA -0.226 4.515 4.740 0.002 0.000 0.251 856 N C -0.768 174.751 175.510 0.016 0.000 1.031 856 N CA 0.127 53.184 53.050 0.010 0.000 0.720 856 N CB -1.057 37.435 38.487 0.009 0.000 0.930 856 N HN 0.466 nan 8.380 nan 0.000 0.543 857 L N 1.339 122.577 121.223 0.025 0.000 2.534 857 L HA 0.128 4.469 4.340 0.002 0.000 0.271 857 L C 0.703 177.597 176.870 0.039 0.000 1.178 857 L CA 0.095 54.963 54.840 0.045 0.000 0.907 857 L CB 0.503 42.612 42.059 0.082 0.000 1.164 857 L HN 0.294 nan 8.230 nan 0.000 0.482 858 S N 2.861 118.586 115.700 0.042 0.000 2.585 858 S HA 0.321 4.793 4.470 0.002 0.000 0.273 858 S C 1.368 176.013 174.600 0.074 0.000 1.339 858 S CA -0.297 57.925 58.200 0.037 0.000 1.028 858 S CB 1.121 64.334 63.200 0.021 0.000 0.906 858 S HN 0.879 nan 8.310 nan 0.000 0.528 859 G N 1.275 110.110 108.800 0.058 0.000 2.450 859 G HA2 -0.206 3.755 3.960 0.002 0.000 0.220 859 G HA3 -0.206 3.755 3.960 0.002 0.000 0.220 859 G C 0.700 175.684 174.900 0.140 0.000 1.130 859 G CA 1.011 46.176 45.100 0.108 0.000 0.760 859 G HN 0.795 nan 8.290 nan 0.000 0.557 860 D N 0.422 120.866 120.400 0.073 0.000 2.104 860 D HA -0.095 4.546 4.640 0.002 0.000 0.194 860 D C 2.470 178.795 176.300 0.042 0.000 0.994 860 D CA 0.690 54.714 54.000 0.040 0.000 0.830 860 D CB -0.203 40.594 40.800 -0.005 0.000 0.959 860 D HN 0.308 nan 8.370 nan 0.000 0.452 861 L N -0.693 120.562 121.223 0.054 0.000 2.131 861 L HA -0.075 4.266 4.340 0.002 0.000 0.206 861 L C 2.221 179.135 176.870 0.073 0.000 1.087 861 L CA 0.533 55.399 54.840 0.043 0.000 0.767 861 L CB -0.409 41.671 42.059 0.035 0.000 0.917 861 L HN 0.112 nan 8.230 nan 0.000 0.441 862 Y N 1.593 121.898 120.300 0.009 0.000 2.114 862 Y HA -0.366 4.185 4.550 0.002 0.000 0.282 862 Y C 2.605 178.521 175.900 0.027 0.000 1.165 862 Y CA 2.264 60.376 58.100 0.020 0.000 1.148 862 Y CB -0.207 38.269 38.460 0.026 0.000 0.972 862 Y HN 0.240 nan 8.280 nan 0.000 0.504 863 E N 0.096 120.318 120.200 0.036 0.000 2.058 863 E HA -0.248 4.103 4.350 0.002 0.000 0.194 863 E C 2.088 178.626 176.600 -0.103 0.000 0.997 863 E CA 1.967 58.346 56.400 -0.036 0.000 0.801 863 E CB -0.124 29.636 29.700 0.099 0.000 0.746 863 E HN 0.537 nan 8.360 nan 0.000 0.450 864 K N 0.108 120.466 120.400 -0.070 0.000 2.031 864 K HA -0.068 4.254 4.320 0.002 0.000 0.205 864 K C 2.327 178.882 176.600 -0.074 0.000 1.049 864 K CA 1.340 57.588 56.287 -0.066 0.000 0.939 864 K CB -0.164 32.303 32.500 -0.055 0.000 0.717 864 K HN 0.229 nan 8.250 nan 0.000 0.438 865 I N 1.729 122.247 120.570 -0.087 0.000 2.163 865 I HA -0.318 3.853 4.170 0.002 0.000 0.243 865 I C 2.746 178.788 176.117 -0.125 0.000 1.085 865 I CA 1.867 63.117 61.300 -0.084 0.000 1.347 865 I CB -0.864 37.098 38.000 -0.064 0.000 1.044 865 I HN 0.367 nan 8.210 nan 0.000 0.408 866 T N -1.277 113.129 114.554 -0.247 0.000 2.777 866 T HA -0.161 4.190 4.350 0.002 0.000 0.266 866 T C 1.844 176.473 174.700 -0.118 0.000 1.040 866 T CA 0.945 62.899 62.100 -0.243 0.000 1.141 866 T CB -0.318 68.263 68.868 -0.478 0.000 0.868 866 T HN 0.293 nan 8.240 nan 0.000 0.444 867 K N 1.428 121.773 120.400 -0.090 0.000 2.057 867 K HA 0.111 4.432 4.320 0.002 0.000 0.207 867 K C 2.808 179.404 176.600 -0.008 0.000 1.049 867 K CA 1.252 57.525 56.287 -0.022 0.000 0.931 867 K CB -0.464 32.038 32.500 0.003 0.000 0.714 867 K HN 0.471 nan 8.250 nan 0.000 0.440 868 A N 1.189 123.999 122.820 -0.018 0.000 1.930 868 A HA -0.073 4.248 4.320 0.002 0.000 0.217 868 A C 1.981 179.563 177.584 -0.003 0.000 1.175 868 A CA 1.110 53.146 52.037 -0.001 0.000 0.627 868 A CB -0.395 18.604 19.000 -0.002 0.000 0.815 868 A HN 0.163 nan 8.150 nan 0.000 0.443 869 L N -0.695 120.516 121.223 -0.019 0.000 2.554 869 L HA 0.148 4.489 4.340 0.002 0.000 0.226 869 L C 1.665 178.534 176.870 -0.002 0.000 1.137 869 L CA -0.015 54.818 54.840 -0.012 0.000 0.863 869 L CB -0.490 41.557 42.059 -0.019 0.000 0.985 869 L HN 0.426 nan 8.230 nan 0.000 0.451 870 A N 0.000 122.820 122.820 -0.001 0.000 2.254 870 A HA 0.000 4.321 4.320 0.002 0.000 0.244 870 A CA 0.000 52.044 52.037 0.011 0.000 0.836 870 A CB 0.000 19.009 19.000 0.016 0.000 0.831 870 A HN 0.000 nan 8.150 nan 0.000 0.486