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 3b2p_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 0.000 177.268 177.300 -0.054 0.000 1.155 5 P CA 0.000 62.989 63.100 -0.185 0.000 0.800 5 P CB 0.000 31.578 31.700 -0.204 0.000 0.726 6 Q N 1.076 120.882 119.800 0.010 0.000 2.241 6 Q HA 0.784 5.125 4.340 0.002 0.000 0.254 6 Q C -0.509 175.526 176.000 0.057 0.000 0.917 6 Q CA -0.243 55.595 55.803 0.058 0.000 0.919 6 Q CB 1.633 30.410 28.738 0.065 0.000 1.237 6 Q HN 0.658 nan 8.270 nan 0.000 0.434 7 A N 3.836 126.688 122.820 0.055 0.000 2.388 7 A HA 0.401 4.722 4.320 0.002 0.000 0.257 7 A C -0.477 177.006 177.584 -0.168 0.000 1.095 7 A CA -0.177 51.803 52.037 -0.094 0.000 0.791 7 A CB 0.326 19.207 19.000 -0.197 0.000 1.029 7 A HN 0.676 nan 8.150 nan 0.000 0.489 8 K N 0.765 121.046 120.400 -0.198 0.000 2.156 8 K HA 0.526 4.847 4.320 0.002 0.000 0.254 8 K C -1.707 174.750 176.600 -0.238 0.000 0.950 8 K CA -0.204 56.048 56.287 -0.059 0.000 0.849 8 K CB 1.555 34.157 32.500 0.169 0.000 1.100 8 K HN 0.679 nan 8.250 nan 0.000 0.434 9 Y N 0.581 120.868 120.300 -0.021 0.000 2.409 9 Y HA 0.262 4.813 4.550 0.001 0.000 0.343 9 Y C 1.305 176.670 175.900 -0.891 0.000 0.973 9 Y CA -0.772 57.044 58.100 -0.473 0.000 1.064 9 Y CB 1.755 39.785 38.460 -0.716 0.000 1.207 9 Y HN 0.576 nan 8.280 nan 0.000 0.452 10 R N 1.445 121.147 120.500 -1.331 0.000 2.103 10 R HA -0.191 4.150 4.340 0.002 0.000 0.242 10 R C 1.868 177.921 176.300 -0.412 0.000 1.142 10 R CA 2.190 57.526 56.100 -1.273 0.000 0.960 10 R CB -0.291 29.430 30.300 -0.965 0.000 0.858 10 R HN 0.962 nan 8.270 nan 0.000 0.439 11 H N -1.781 117.202 119.070 -0.146 0.000 2.545 11 H HA -0.028 4.529 4.556 0.002 0.000 0.282 11 H C 0.324 175.666 175.328 0.024 0.000 1.020 11 H CA 0.694 56.722 56.048 -0.032 0.000 1.243 11 H CB 0.027 29.770 29.762 -0.030 0.000 1.377 11 H HN 0.236 nan 8.280 nan 0.000 0.581 12 D N 0.664 121.035 120.400 -0.048 0.000 2.340 12 D HA -0.052 4.589 4.640 0.002 0.000 0.220 12 D C 0.186 176.538 176.300 0.088 0.000 1.039 12 D CA -0.105 53.942 54.000 0.078 0.000 0.866 12 D CB -0.554 40.288 40.800 0.070 0.000 0.913 12 D HN 0.393 nan 8.370 nan 0.000 0.523 13 Y N 2.479 122.790 120.300 0.019 0.000 2.810 13 Y HA -0.026 4.525 4.550 0.002 0.000 0.332 13 Y C 0.124 176.061 175.900 0.061 0.000 1.243 13 Y CA 0.309 58.445 58.100 0.060 0.000 1.537 13 Y CB 0.293 38.786 38.460 0.055 0.000 1.265 13 Y HN -0.263 nan 8.280 nan 0.000 0.572 14 R N 4.502 124.445 120.500 -0.929 0.000 2.604 14 R HA 0.554 4.895 4.340 0.002 0.000 0.281 14 R C -0.756 175.023 176.300 -0.868 0.000 1.020 14 R CA -0.719 54.988 56.100 -0.655 0.000 0.899 14 R CB 1.411 31.564 30.300 -0.245 0.000 1.205 14 R HN 0.838 nan 8.270 nan 0.000 0.450 15 A N 4.379 126.945 122.820 -0.423 0.000 2.555 15 A HA 0.271 4.592 4.320 0.002 0.000 0.233 15 A C -1.678 175.841 177.584 -0.107 0.000 1.060 15 A CA -0.478 51.467 52.037 -0.152 0.000 0.759 15 A CB -0.598 18.405 19.000 0.005 0.000 0.995 15 A HN 0.410 nan 8.150 nan 0.000 0.506 16 P HA 0.148 nan 4.420 nan 0.000 0.275 16 P C -0.251 177.096 177.300 0.079 0.000 1.228 16 P CA -0.307 62.819 63.100 0.044 0.000 0.786 16 P CB 0.726 32.482 31.700 0.094 0.000 0.927 17 D N 0.345 120.804 120.400 0.098 0.000 2.218 17 D HA -0.086 4.555 4.640 0.002 0.000 0.204 17 D C 0.066 176.289 176.300 -0.128 0.000 0.976 17 D CA 1.778 55.798 54.000 0.034 0.000 0.853 17 D CB -0.066 40.804 40.800 0.117 0.000 0.939 17 D HN 0.438 nan 8.370 nan 0.000 0.481 18 Y N -0.194 120.139 120.300 0.054 0.000 2.477 18 Y HA 0.349 4.900 4.550 0.002 0.000 0.347 18 Y C 0.374 176.286 175.900 0.020 0.000 0.981 18 Y CA -0.950 57.153 58.100 0.005 0.000 1.033 18 Y CB 1.604 40.066 38.460 0.003 0.000 1.245 18 Y HN -0.363 nan 8.280 nan 0.000 0.455 19 Q N 2.319 122.186 119.800 0.112 0.000 2.301 19 Q HA 0.583 4.924 4.340 0.002 0.000 0.267 19 Q C -1.080 174.897 176.000 -0.038 0.000 1.035 19 Q CA -0.794 55.058 55.803 0.082 0.000 0.856 19 Q CB 3.085 31.933 28.738 0.183 0.000 1.337 19 Q HN 0.702 nan 8.270 nan 0.000 0.450 20 I N 0.814 121.346 120.570 -0.063 0.000 2.404 20 I HA 0.203 4.374 4.170 0.002 0.000 0.293 20 I C 1.243 177.336 176.117 -0.038 0.000 0.992 20 I CA -0.147 61.089 61.300 -0.107 0.000 1.149 20 I CB 1.976 39.873 38.000 -0.172 0.000 1.315 20 I HN 0.725 nan 8.210 nan 0.000 0.446 21 T N -0.296 114.224 114.554 -0.058 0.000 3.023 21 T HA 0.253 4.604 4.350 0.002 0.000 0.249 21 T C 0.109 174.793 174.700 -0.025 0.000 1.050 21 T CA 0.211 62.297 62.100 -0.023 0.000 1.088 21 T CB 0.005 68.853 68.868 -0.034 0.000 0.946 21 T HN 0.534 nan 8.240 nan 0.000 0.480 22 D N -0.014 120.346 120.400 -0.065 0.000 2.927 22 D HA 0.609 5.250 4.640 0.002 0.000 0.219 22 D C -1.749 174.465 176.300 -0.143 0.000 1.248 22 D CA -0.448 53.500 54.000 -0.085 0.000 0.861 22 D CB 2.580 43.342 40.800 -0.063 0.000 1.677 22 D HN 0.340 nan 8.370 nan 0.000 0.511 23 I N 1.063 121.480 120.570 -0.255 0.000 2.533 23 I HA 0.397 4.568 4.170 0.002 0.000 0.290 23 I C -1.530 174.452 176.117 -0.226 0.000 1.056 23 I CA -0.623 60.499 61.300 -0.297 0.000 1.057 23 I CB 1.495 39.188 38.000 -0.511 0.000 1.240 23 I HN 0.225 nan 8.210 nan 0.000 0.423 24 D N 8.736 129.059 120.400 -0.128 0.000 2.440 24 D HA 0.413 5.054 4.640 0.002 0.000 0.239 24 D C -0.668 175.596 176.300 -0.059 0.000 1.084 24 D CA -0.023 53.944 54.000 -0.054 0.000 0.843 24 D CB 2.207 42.983 40.800 -0.040 0.000 1.097 24 D HN 0.383 nan 8.370 nan 0.000 0.531 25 L N 1.486 122.711 121.223 0.004 0.000 2.309 25 L HA 0.442 4.783 4.340 0.002 0.000 0.282 25 L C 0.338 177.219 176.870 0.018 0.000 1.036 25 L CA -0.268 54.552 54.840 -0.033 0.000 0.806 25 L CB 1.638 43.755 42.059 0.097 0.000 1.220 25 L HN 0.140 nan 8.230 nan 0.000 0.429 26 T N 2.435 116.909 114.554 -0.133 0.000 2.841 26 T HA 0.538 4.889 4.350 0.002 0.000 0.285 26 T C -0.827 173.760 174.700 -0.188 0.000 0.991 26 T CA -0.336 61.731 62.100 -0.055 0.000 0.966 26 T CB 0.799 69.609 68.868 -0.096 0.000 0.962 26 T HN 0.066 nan 8.240 nan 0.000 0.438 27 F N 2.163 122.125 119.950 0.019 0.000 2.402 27 F HA 0.343 4.871 4.527 0.002 0.000 0.355 27 F C 0.485 176.285 175.800 -0.000 0.000 1.123 27 F CA -1.154 56.850 58.000 0.008 0.000 1.021 27 F CB 1.226 40.247 39.000 0.035 0.000 1.160 27 F HN 0.401 nan 8.300 nan 0.000 0.451 28 D N 5.078 125.543 120.400 0.108 0.000 2.441 28 D HA 0.232 4.873 4.640 0.002 0.000 0.221 28 D C -0.478 175.878 176.300 0.093 0.000 1.156 28 D CA -0.020 54.029 54.000 0.082 0.000 0.896 28 D CB 0.405 41.222 40.800 0.029 0.000 1.028 28 D HN 0.419 nan 8.370 nan 0.000 0.509 29 L N 3.089 124.366 121.223 0.089 0.000 2.331 29 L HA 0.345 4.686 4.340 0.002 0.000 0.278 29 L C 0.114 176.998 176.870 0.023 0.000 1.106 29 L CA -0.103 54.751 54.840 0.023 0.000 0.824 29 L CB 0.999 42.985 42.059 -0.123 0.000 1.142 29 L HN 0.388 nan 8.230 nan 0.000 0.443 30 D N 1.518 121.934 120.400 0.027 0.000 2.803 30 D HA 0.385 5.026 4.640 0.002 0.000 0.218 30 D C 0.263 176.602 176.300 0.065 0.000 1.245 30 D CA -0.245 53.803 54.000 0.080 0.000 0.821 30 D CB 1.654 42.505 40.800 0.085 0.000 1.626 30 D HN 0.430 nan 8.370 nan 0.000 0.487 31 A N 2.034 124.918 122.820 0.107 0.000 1.933 31 A HA -0.162 4.159 4.320 0.002 0.000 0.218 31 A C 1.731 179.350 177.584 0.058 0.000 1.175 31 A CA 1.312 53.400 52.037 0.084 0.000 0.628 31 A CB -0.304 18.763 19.000 0.112 0.000 0.814 31 A HN 0.606 nan 8.150 nan 0.000 0.444 32 Q N -0.877 118.958 119.800 0.057 0.000 2.096 32 Q HA 0.076 4.417 4.340 0.002 0.000 0.197 32 Q C 0.726 176.748 176.000 0.037 0.000 0.964 32 Q CA 1.147 56.975 55.803 0.042 0.000 0.838 32 Q CB 0.040 28.802 28.738 0.039 0.000 0.906 32 Q HN 0.663 nan 8.270 nan 0.000 0.444 33 K N 0.588 121.013 120.400 0.040 0.000 2.687 33 K HA 0.272 4.593 4.320 0.002 0.000 0.249 33 K C -1.433 175.188 176.600 0.036 0.000 0.994 33 K CA 0.049 56.355 56.287 0.033 0.000 0.913 33 K CB 1.366 33.882 32.500 0.027 0.000 1.202 33 K HN -0.180 nan 8.250 nan 0.000 0.460 34 T N 2.791 117.367 114.554 0.036 0.000 2.795 34 T HA 0.305 4.656 4.350 0.002 0.000 0.282 34 T C -0.558 174.151 174.700 0.015 0.000 0.980 34 T CA -0.477 61.652 62.100 0.049 0.000 1.012 34 T CB 1.288 70.212 68.868 0.094 0.000 0.936 34 T HN 0.237 nan 8.240 nan 0.000 0.457 35 V N 4.517 124.431 119.914 -0.000 0.000 2.370 35 V HA 0.385 4.506 4.120 0.002 0.000 0.279 35 V C 0.002 176.016 176.094 -0.132 0.000 1.029 35 V CA -0.697 61.572 62.300 -0.053 0.000 0.870 35 V CB 1.401 33.200 31.823 -0.040 0.000 0.984 35 V HN 0.663 nan 8.190 nan 0.000 0.451 36 V N 4.121 123.905 119.914 -0.217 0.000 2.398 36 V HA 0.450 4.571 4.120 0.002 0.000 0.286 36 V C 0.284 176.193 176.094 -0.308 0.000 1.026 36 V CA -0.285 61.764 62.300 -0.417 0.000 0.868 36 V CB 1.841 33.351 31.823 -0.521 0.000 0.982 36 V HN 0.927 nan 8.190 nan 0.000 0.443 37 T N 4.416 118.781 114.554 -0.315 0.000 2.770 37 T HA 0.709 5.060 4.350 0.002 0.000 0.283 37 T C -0.066 174.495 174.700 -0.231 0.000 0.988 37 T CA -0.297 61.671 62.100 -0.220 0.000 0.957 37 T CB 1.438 70.204 68.868 -0.170 0.000 0.930 37 T HN 0.900 nan 8.240 nan 0.000 0.443 38 A N 3.160 125.875 122.820 -0.176 0.000 2.332 38 A HA 0.703 5.024 4.320 0.002 0.000 0.300 38 A C -0.591 176.939 177.584 -0.090 0.000 1.153 38 A CA -0.654 51.298 52.037 -0.141 0.000 0.764 38 A CB 0.934 19.862 19.000 -0.120 0.000 1.174 38 A HN 0.668 nan 8.150 nan 0.000 0.467 39 V N 2.744 122.604 119.914 -0.089 0.000 2.313 39 V HA 0.433 4.554 4.120 0.002 0.000 0.278 39 V C 0.135 176.185 176.094 -0.073 0.000 1.017 39 V CA -0.258 61.997 62.300 -0.075 0.000 0.823 39 V CB 1.091 32.867 31.823 -0.079 0.000 1.010 39 V HN 0.836 nan 8.190 nan 0.000 0.443 40 S N 4.321 119.985 115.700 -0.060 0.000 2.472 40 S HA 0.502 4.973 4.470 0.002 0.000 0.303 40 S C -0.512 174.008 174.600 -0.134 0.000 1.099 40 S CA -0.759 57.396 58.200 -0.075 0.000 1.077 40 S CB 1.521 64.704 63.200 -0.029 0.000 1.031 40 S HN 0.659 nan 8.310 nan 0.000 0.487 41 Q N 1.990 121.698 119.800 -0.153 0.000 2.322 41 Q HA 0.632 4.972 4.340 0.002 0.000 0.256 41 Q C -0.353 175.470 176.000 -0.295 0.000 0.960 41 Q CA -0.240 55.437 55.803 -0.209 0.000 0.934 41 Q CB 1.297 29.949 28.738 -0.144 0.000 1.200 41 Q HN 0.719 nan 8.270 nan 0.000 0.435 42 A N 2.064 124.561 122.820 -0.538 0.000 2.384 42 A HA 0.856 5.177 4.320 0.002 0.000 0.312 42 A C -0.873 176.331 177.584 -0.633 0.000 1.113 42 A CA -0.643 51.011 52.037 -0.637 0.000 0.779 42 A CB 1.599 20.047 19.000 -0.920 0.000 1.307 42 A HN 0.405 nan 8.150 nan 0.000 0.436 43 V N 1.222 120.904 119.914 -0.386 0.000 2.623 43 V HA 0.442 4.563 4.120 0.002 0.000 0.304 43 V C 0.001 175.877 176.094 -0.364 0.000 1.054 43 V CA -0.634 61.456 62.300 -0.350 0.000 0.882 43 V CB 1.671 33.263 31.823 -0.384 0.000 1.002 43 V HN 0.967 nan 8.190 nan 0.000 0.424 44 R N 2.879 123.195 120.500 -0.307 0.000 2.248 44 R HA 0.307 4.648 4.340 0.002 0.000 0.328 44 R C 0.421 176.401 176.300 -0.532 0.000 1.067 44 R CA -0.246 55.508 56.100 -0.576 0.000 0.924 44 R CB 0.372 30.378 30.300 -0.490 0.000 1.013 44 R HN 0.814 nan 8.270 nan 0.000 0.454 45 H N 2.357 121.262 119.070 -0.274 0.000 2.582 45 H HA 0.124 4.681 4.556 0.002 0.000 0.269 45 H C 1.036 176.271 175.328 -0.155 0.000 0.962 45 H CA 0.763 56.717 56.048 -0.157 0.000 1.230 45 H CB 0.664 30.369 29.762 -0.094 0.000 1.445 45 H HN 0.729 nan 8.280 nan 0.000 0.528 46 G N 0.378 109.095 108.800 -0.138 0.000 2.509 46 G HA2 0.427 4.388 3.960 0.002 0.000 0.269 46 G HA3 0.427 4.388 3.960 0.002 0.000 0.269 46 G C -0.229 174.614 174.900 -0.095 0.000 1.416 46 G CA 0.048 45.091 45.100 -0.095 0.000 1.052 46 G HN 0.359 nan 8.290 nan 0.000 0.542 47 A N -0.719 122.073 122.820 -0.047 0.000 2.445 47 A HA 0.415 4.736 4.320 0.002 0.000 0.242 47 A C 1.874 179.446 177.584 -0.021 0.000 1.075 47 A CA 0.702 52.725 52.037 -0.022 0.000 0.777 47 A CB 0.269 19.270 19.000 0.002 0.000 1.013 47 A HN 1.509 nan 8.150 nan 0.000 0.493 48 S N 0.666 116.362 115.700 -0.006 0.000 2.440 48 S HA -0.198 4.273 4.470 0.002 0.000 0.238 48 S C 0.821 175.447 174.600 0.043 0.000 1.010 48 S CA 1.569 59.777 58.200 0.013 0.000 0.972 48 S CB -0.437 62.773 63.200 0.017 0.000 0.774 48 S HN 0.850 nan 8.310 nan 0.000 0.501 49 D N 1.397 121.821 120.400 0.041 0.000 2.340 49 D HA 0.405 5.046 4.640 0.002 0.000 0.217 49 D C 0.345 176.692 176.300 0.079 0.000 1.081 49 D CA 0.099 54.133 54.000 0.056 0.000 0.842 49 D CB -0.184 40.639 40.800 0.038 0.000 0.934 49 D HN 0.524 nan 8.370 nan 0.000 0.511 50 A N 1.734 124.612 122.820 0.097 0.000 2.320 50 A HA 0.545 4.866 4.320 0.002 0.000 0.287 50 A C -2.271 175.474 177.584 0.269 0.000 1.181 50 A CA -1.165 50.960 52.037 0.146 0.000 0.831 50 A CB 0.470 19.541 19.000 0.120 0.000 1.102 50 A HN 0.101 nan 8.150 nan 0.000 0.513 51 P HA 0.322 nan 4.420 nan 0.000 0.278 51 P C -0.712 176.627 177.300 0.065 0.000 1.258 51 P CA -0.573 62.610 63.100 0.139 0.000 0.811 51 P CB 0.912 32.656 31.700 0.073 0.000 1.063 52 L N 2.565 123.606 121.223 -0.303 0.000 2.278 52 L HA 0.290 4.631 4.340 0.002 0.000 0.287 52 L C 0.130 176.867 176.870 -0.222 0.000 1.072 52 L CA 0.047 54.518 54.840 -0.616 0.000 0.819 52 L CB -0.143 41.368 42.059 -0.912 0.000 1.176 52 L HN 0.236 nan 8.230 nan 0.000 0.435 53 R N 6.522 126.960 120.500 -0.103 0.000 2.239 53 R HA 0.486 4.827 4.340 0.002 0.000 0.332 53 R C -1.145 175.149 176.300 -0.008 0.000 0.988 53 R CA -0.587 55.499 56.100 -0.024 0.000 0.859 53 R CB 0.756 31.076 30.300 0.033 0.000 1.148 53 R HN 0.626 nan 8.270 nan 0.000 0.482 54 L N 3.091 124.312 121.223 -0.004 0.000 2.289 54 L HA 0.319 4.660 4.340 0.002 0.000 0.285 54 L C 0.274 177.257 176.870 0.187 0.000 1.049 54 L CA -0.856 54.027 54.840 0.072 0.000 0.804 54 L CB 1.048 43.146 42.059 0.064 0.000 1.195 54 L HN 0.482 nan 8.230 nan 0.000 0.428 55 N N 2.154 120.977 118.700 0.205 0.000 2.530 55 N HA 0.501 5.242 4.740 0.002 0.000 0.273 55 N C -0.100 175.526 175.510 0.194 0.000 1.173 55 N CA -0.061 53.108 53.050 0.199 0.000 0.967 55 N CB 1.861 40.455 38.487 0.178 0.000 1.109 55 N HN 0.787 nan 8.380 nan 0.000 0.453 56 G N 0.555 109.396 108.800 0.068 0.000 2.768 56 G HA2 0.315 4.276 3.960 0.002 0.000 0.297 56 G HA3 0.315 4.276 3.960 0.002 0.000 0.297 56 G C -1.467 173.255 174.900 -0.297 0.000 1.430 56 G CA -0.495 44.420 45.100 -0.308 0.000 1.030 56 G HN 0.319 nan 8.290 nan 0.000 0.553 57 E N 1.814 121.739 120.200 -0.457 0.000 2.256 57 E HA 0.325 4.676 4.350 0.002 0.000 0.268 57 E C -0.937 175.437 176.600 -0.376 0.000 0.877 57 E CA -0.634 55.494 56.400 -0.454 0.000 0.757 57 E CB 2.139 31.353 29.700 -0.809 0.000 1.183 57 E HN 0.584 nan 8.360 nan 0.000 0.418 58 D N 1.696 121.980 120.400 -0.193 0.000 2.686 58 D HA -0.201 4.440 4.640 0.002 0.000 0.235 58 D C -0.429 175.798 176.300 -0.122 0.000 1.160 58 D CA 0.962 54.903 54.000 -0.099 0.000 0.645 58 D CB -1.147 39.639 40.800 -0.023 0.000 1.039 58 D HN 0.319 nan 8.370 nan 0.000 0.423 59 L N -0.386 120.729 121.223 -0.180 0.000 2.325 59 L HA 0.380 4.721 4.340 0.002 0.000 0.278 59 L C 0.859 177.685 176.870 -0.073 0.000 1.023 59 L CA -0.840 53.881 54.840 -0.198 0.000 0.811 59 L CB 1.942 43.725 42.059 -0.460 0.000 1.249 59 L HN -0.169 nan 8.230 nan 0.000 0.431 60 K N 3.917 124.292 120.400 -0.042 0.000 2.266 60 K HA 0.348 4.669 4.320 0.002 0.000 0.274 60 K C -0.662 175.950 176.600 0.021 0.000 1.090 60 K CA -0.517 55.774 56.287 0.007 0.000 0.925 60 K CB 0.752 33.255 32.500 0.004 0.000 1.225 60 K HN 0.565 nan 8.250 nan 0.000 0.458 61 L N 5.626 126.891 121.223 0.069 0.000 2.462 61 L HA 0.003 4.344 4.340 0.002 0.000 0.272 61 L C 0.641 177.512 176.870 0.002 0.000 1.166 61 L CA -0.072 54.796 54.840 0.045 0.000 0.880 61 L CB 1.149 43.206 42.059 -0.004 0.000 1.142 61 L HN 0.645 nan 8.230 nan 0.000 0.473 62 V N 2.704 122.608 119.914 -0.018 0.000 2.690 62 V HA 0.102 4.222 4.120 0.002 0.000 0.240 62 V C 0.548 176.640 176.094 -0.004 0.000 1.078 62 V CA 1.015 63.313 62.300 -0.003 0.000 1.102 62 V CB 0.777 32.597 31.823 -0.005 0.000 0.800 62 V HN 0.911 nan 8.190 nan 0.000 0.479 63 S N -1.334 114.348 115.700 -0.030 0.000 2.565 63 S HA 0.706 5.177 4.470 0.002 0.000 0.269 63 S C -1.391 173.171 174.600 -0.063 0.000 1.153 63 S CA -0.640 57.554 58.200 -0.010 0.000 0.835 63 S CB 2.279 65.566 63.200 0.146 0.000 1.122 63 S HN -0.025 nan 8.310 nan 0.000 0.462 64 V N 2.793 122.640 119.914 -0.112 0.000 2.482 64 V HA 0.554 4.675 4.120 0.002 0.000 0.295 64 V C -0.842 175.234 176.094 -0.030 0.000 1.026 64 V CA -0.390 61.819 62.300 -0.152 0.000 0.856 64 V CB 1.225 32.759 31.823 -0.481 0.000 1.001 64 V HN 0.983 nan 8.190 nan 0.000 0.424 65 H N 5.003 124.047 119.070 -0.042 0.000 2.572 65 H HA 0.593 5.150 4.556 0.002 0.000 0.359 65 H C -1.256 174.018 175.328 -0.090 0.000 1.134 65 H CA -0.834 55.222 56.048 0.014 0.000 1.187 65 H CB 3.007 32.776 29.762 0.012 0.000 1.597 65 H HN 0.341 nan 8.280 nan 0.000 0.524 66 I N 2.779 123.337 120.570 -0.020 0.000 2.410 66 I HA 0.034 4.205 4.170 0.002 0.000 0.286 66 I C 0.183 176.278 176.117 -0.036 0.000 1.009 66 I CA -0.673 60.477 61.300 -0.250 0.000 1.111 66 I CB 1.039 38.401 38.000 -1.064 0.000 1.262 66 I HN 0.705 nan 8.210 nan 0.000 0.443 67 N N 5.429 124.145 118.700 0.027 0.000 2.725 67 N HA -0.213 4.528 4.740 0.002 0.000 0.251 67 N C 0.152 175.715 175.510 0.089 0.000 1.031 67 N CA 1.141 54.228 53.050 0.061 0.000 0.720 67 N CB -0.706 37.821 38.487 0.066 0.000 0.930 67 N HN 0.699 nan 8.380 nan 0.000 0.543 68 D N -2.433 118.033 120.400 0.110 0.000 2.978 68 D HA -0.233 4.408 4.640 0.002 0.000 0.205 68 D C 0.180 176.646 176.300 0.276 0.000 1.093 68 D CA 1.691 55.786 54.000 0.158 0.000 1.006 68 D CB -0.732 40.116 40.800 0.080 0.000 1.116 68 D HN 0.746 nan 8.370 nan 0.000 0.419 69 E N 1.236 121.583 120.200 0.245 0.000 2.167 69 E HA 0.400 4.751 4.350 0.002 0.000 0.284 69 E C -2.687 174.008 176.600 0.159 0.000 1.016 69 E CA -2.075 54.461 56.400 0.226 0.000 0.817 69 E CB 1.109 30.970 29.700 0.268 0.000 1.080 69 E HN -0.143 nan 8.360 nan 0.000 0.397 70 P HA -0.048 nan 4.420 nan 0.000 0.261 70 P C -1.072 176.253 177.300 0.041 0.000 1.183 70 P CA 0.206 63.117 63.100 -0.315 0.000 0.761 70 P CB 0.254 31.824 31.700 -0.218 0.000 0.785 71 W N 3.904 125.129 121.300 -0.126 0.000 2.433 71 W HA 0.187 4.848 4.660 0.002 0.000 0.315 71 W C 0.549 177.191 176.519 0.204 0.000 1.087 71 W CA -0.403 56.960 57.345 0.030 0.000 1.205 71 W CB 1.764 31.240 29.460 0.026 0.000 1.288 71 W HN 0.371 nan 8.180 nan 0.000 0.504 72 T N 0.995 115.320 114.554 -0.383 0.000 3.001 72 T HA 0.208 4.559 4.350 0.002 0.000 0.251 72 T C 0.701 175.126 174.700 -0.458 0.000 1.040 72 T CA 0.133 62.034 62.100 -0.331 0.000 0.985 72 T CB 0.406 69.067 68.868 -0.344 0.000 1.011 72 T HN 0.376 nan 8.240 nan 0.000 0.509 73 A N 2.699 125.174 122.820 -0.576 0.000 3.157 73 A HA 0.582 4.903 4.320 0.002 0.000 0.276 73 A C -0.136 177.544 177.584 0.160 0.000 1.524 73 A CA -1.110 50.764 52.037 -0.272 0.000 1.236 73 A CB -0.839 17.987 19.000 -0.290 0.000 1.173 73 A HN 0.695 nan 8.150 nan 0.000 0.595 74 W N 0.549 121.849 121.300 -0.000 0.000 3.137 74 W HA 0.693 5.354 4.660 0.002 0.000 0.324 74 W C -1.390 175.110 176.519 -0.032 0.000 1.253 74 W CA -1.021 56.337 57.345 0.023 0.000 1.183 74 W CB 0.720 30.215 29.460 0.058 0.000 1.424 74 W HN 0.382 nan 8.180 nan 0.000 0.566 75 K N 0.512 121.066 120.400 0.256 0.000 2.502 75 K HA 0.546 4.866 4.320 0.002 0.000 0.257 75 K C -1.185 175.597 176.600 0.302 0.000 0.938 75 K CA -0.823 55.547 56.287 0.138 0.000 0.819 75 K CB 3.186 35.674 32.500 -0.021 0.000 1.333 75 K HN 0.440 nan 8.250 nan 0.000 0.434 76 E N 1.633 122.011 120.200 0.296 0.000 2.227 76 E HA 0.088 4.439 4.350 0.002 0.000 0.282 76 E C -0.761 175.909 176.600 0.116 0.000 1.015 76 E CA -0.475 56.039 56.400 0.190 0.000 0.823 76 E CB 1.415 31.250 29.700 0.225 0.000 1.081 76 E HN 0.639 nan 8.360 nan 0.000 0.396 77 E N 1.782 122.040 120.200 0.096 0.000 2.412 77 E HA 0.296 4.647 4.350 0.002 0.000 0.255 77 E C -0.754 175.896 176.600 0.083 0.000 0.933 77 E CA -1.023 55.422 56.400 0.076 0.000 0.823 77 E CB 0.563 30.300 29.700 0.060 0.000 1.352 77 E HN 0.106 nan 8.360 nan 0.000 0.406 78 E N -0.022 120.217 120.200 0.064 0.000 2.491 78 E HA 0.177 4.528 4.350 0.002 0.000 0.250 78 E C 0.633 177.272 176.600 0.066 0.000 1.061 78 E CA 1.583 58.017 56.400 0.056 0.000 0.942 78 E CB -0.323 29.401 29.700 0.040 0.000 0.957 78 E HN 0.836 nan 8.360 nan 0.000 0.480 79 G N 2.662 111.503 108.800 0.070 0.000 2.153 79 G HA2 -0.121 3.840 3.960 0.002 0.000 0.252 79 G HA3 -0.121 3.840 3.960 0.002 0.000 0.252 79 G C 0.176 175.155 174.900 0.130 0.000 0.994 79 G CA 0.362 45.503 45.100 0.067 0.000 0.698 79 G HN 1.072 nan 8.290 nan 0.000 0.521 80 A N -1.399 121.529 122.820 0.180 0.000 2.606 80 A HA 0.870 5.191 4.320 0.002 0.000 0.293 80 A C -1.282 176.368 177.584 0.111 0.000 1.082 80 A CA -0.301 51.847 52.037 0.185 0.000 0.685 80 A CB 1.793 20.857 19.000 0.105 0.000 1.284 80 A HN 1.607 nan 8.150 nan 0.000 0.408 81 L N 1.591 122.774 121.223 -0.066 0.000 2.343 81 L HA 0.731 5.072 4.340 0.002 0.000 0.278 81 L C -1.365 175.431 176.870 -0.123 0.000 0.996 81 L CA -0.407 54.246 54.840 -0.311 0.000 0.831 81 L CB 1.638 43.086 42.059 -1.018 0.000 1.232 81 L HN 0.443 nan 8.230 nan 0.000 0.413 82 V N 6.921 126.830 119.914 -0.008 0.000 2.357 82 V HA 0.496 4.617 4.120 0.002 0.000 0.284 82 V C 0.069 176.206 176.094 0.071 0.000 1.018 82 V CA -0.345 61.967 62.300 0.020 0.000 0.841 82 V CB 1.259 33.109 31.823 0.045 0.000 0.991 82 V HN 0.610 nan 8.190 nan 0.000 0.437 83 I N 3.740 124.317 120.570 0.011 0.000 2.362 83 I HA 0.484 4.655 4.170 0.002 0.000 0.289 83 I C 0.268 176.421 176.117 0.059 0.000 0.994 83 I CA 0.027 61.370 61.300 0.071 0.000 1.158 83 I CB 1.931 39.875 38.000 -0.094 0.000 1.315 83 I HN 0.518 nan 8.210 nan 0.000 0.451 84 S N 4.445 120.261 115.700 0.193 0.000 2.690 84 S HA 0.408 4.879 4.470 0.002 0.000 0.291 84 S C 0.171 174.920 174.600 0.249 0.000 1.138 84 S CA -0.577 57.719 58.200 0.160 0.000 1.013 84 S CB 1.057 64.321 63.200 0.106 0.000 1.053 84 S HN 0.767 nan 8.310 nan 0.000 0.539 85 N N 0.260 119.063 118.700 0.171 0.000 2.783 85 N HA -0.134 4.607 4.740 0.002 0.000 0.247 85 N C -1.191 174.457 175.510 0.229 0.000 1.089 85 N CA 0.390 53.551 53.050 0.185 0.000 0.690 85 N CB -1.748 36.830 38.487 0.151 0.000 0.991 85 N HN 0.469 nan 8.380 nan 0.000 0.552 86 L N 0.544 121.805 121.223 0.063 0.000 2.360 86 L HA 0.560 4.901 4.340 0.002 0.000 0.271 86 L C -1.275 175.559 176.870 -0.060 0.000 1.057 86 L CA -1.519 53.200 54.840 -0.202 0.000 0.803 86 L CB 0.672 42.408 42.059 -0.538 0.000 1.207 86 L HN -0.063 nan 8.230 nan 0.000 0.445 87 P HA 0.055 nan 4.420 nan 0.000 0.277 87 P C 0.174 177.600 177.300 0.211 0.000 1.276 87 P CA -0.420 62.729 63.100 0.082 0.000 0.788 87 P CB 0.709 32.468 31.700 0.099 0.000 1.114 88 E N -0.576 119.712 120.200 0.147 0.000 2.150 88 E HA -0.114 4.237 4.350 0.002 0.000 0.193 88 E C 0.150 176.815 176.600 0.108 0.000 0.985 88 E CA 0.883 57.341 56.400 0.098 0.000 0.814 88 E CB 0.231 29.947 29.700 0.027 0.000 0.752 88 E HN 0.284 nan 8.360 nan 0.000 0.466 89 R N -0.794 119.796 120.500 0.150 0.000 2.621 89 R HA 0.426 4.767 4.340 0.002 0.000 0.284 89 R C -1.347 175.049 176.300 0.160 0.000 0.998 89 R CA -0.585 55.530 56.100 0.026 0.000 0.895 89 R CB 1.583 31.863 30.300 -0.033 0.000 1.195 89 R HN -0.017 nan 8.270 nan 0.000 0.450 90 F N -2.418 117.497 119.950 -0.058 0.000 2.770 90 F HA 0.436 4.964 4.527 0.002 0.000 0.313 90 F C -1.229 174.517 175.800 -0.090 0.000 1.154 90 F CA -1.069 56.882 58.000 -0.082 0.000 0.923 90 F CB 1.367 40.288 39.000 -0.131 0.000 1.301 90 F HN 0.164 nan 8.300 nan 0.000 0.449 91 T N 3.172 117.778 114.554 0.086 0.000 2.744 91 T HA 0.545 4.896 4.350 0.002 0.000 0.291 91 T C -0.967 173.798 174.700 0.107 0.000 0.957 91 T CA -0.321 61.785 62.100 0.009 0.000 1.002 91 T CB 1.128 69.992 68.868 -0.006 0.000 0.919 91 T HN 0.713 nan 8.240 nan 0.000 0.468 92 L N 3.875 125.135 121.223 0.062 0.000 2.275 92 L HA 0.592 4.933 4.340 0.002 0.000 0.288 92 L C -0.161 176.703 176.870 -0.009 0.000 1.046 92 L CA -0.234 54.638 54.840 0.053 0.000 0.805 92 L CB 0.754 42.853 42.059 0.067 0.000 1.193 92 L HN 0.471 nan 8.230 nan 0.000 0.426 93 K N 5.953 126.347 120.400 -0.010 0.000 2.323 93 K HA 0.570 4.891 4.320 0.002 0.000 0.259 93 K C -1.511 175.074 176.600 -0.024 0.000 0.947 93 K CA -0.667 55.600 56.287 -0.032 0.000 0.819 93 K CB 1.030 33.489 32.500 -0.068 0.000 1.109 93 K HN 0.581 nan 8.250 nan 0.000 0.429 94 I N 6.102 126.643 120.570 -0.048 0.000 2.465 94 I HA 0.389 4.560 4.170 0.002 0.000 0.291 94 I C -0.224 175.852 176.117 -0.069 0.000 1.014 94 I CA -0.797 60.472 61.300 -0.052 0.000 1.093 94 I CB 1.676 39.662 38.000 -0.023 0.000 1.267 94 I HN 0.618 nan 8.210 nan 0.000 0.431 95 I N 6.991 127.526 120.570 -0.058 0.000 2.404 95 I HA 0.405 4.576 4.170 0.002 0.000 0.293 95 I C -0.268 175.813 176.117 -0.060 0.000 0.992 95 I CA -0.504 60.752 61.300 -0.074 0.000 1.149 95 I CB 1.775 39.739 38.000 -0.061 0.000 1.315 95 I HN 0.622 nan 8.210 nan 0.000 0.446 96 N N 4.574 123.224 118.700 -0.084 0.000 2.610 96 N HA 0.452 5.193 4.740 0.002 0.000 0.264 96 N C -1.531 173.928 175.510 -0.085 0.000 1.348 96 N CA -0.907 52.101 53.050 -0.070 0.000 0.819 96 N CB 2.338 40.782 38.487 -0.072 0.000 1.521 96 N HN 0.485 nan 8.380 nan 0.000 0.497 97 E N 0.543 120.707 120.200 -0.060 0.000 2.227 97 E HA 0.660 5.011 4.350 0.002 0.000 0.268 97 E C -0.412 176.159 176.600 -0.048 0.000 0.907 97 E CA -0.882 55.490 56.400 -0.046 0.000 0.786 97 E CB 2.560 32.248 29.700 -0.020 0.000 1.191 97 E HN 0.589 nan 8.360 nan 0.000 0.411 98 I N -2.334 118.220 120.570 -0.027 0.000 3.191 98 I HA 0.637 4.808 4.170 0.002 0.000 0.313 98 I C -0.774 175.352 176.117 0.015 0.000 1.193 98 I CA -0.909 60.385 61.300 -0.011 0.000 0.968 98 I CB 2.409 40.404 38.000 -0.009 0.000 1.262 98 I HN 0.335 nan 8.210 nan 0.000 0.456 99 S N 2.481 118.197 115.700 0.025 0.000 2.395 99 S HA 0.511 4.982 4.470 0.002 0.000 0.207 99 S C -2.081 172.544 174.600 0.042 0.000 1.454 99 S CA -1.262 56.957 58.200 0.031 0.000 1.211 99 S CB 0.712 63.926 63.200 0.024 0.000 1.093 99 S HN 0.563 nan 8.310 nan 0.000 0.472 100 P HA -0.080 nan 4.420 nan 0.000 0.216 100 P C 1.400 178.735 177.300 0.058 0.000 1.150 100 P CA 1.291 64.428 63.100 0.062 0.000 0.843 100 P CB 0.148 31.873 31.700 0.042 0.000 0.787 101 A N -0.313 122.531 122.820 0.040 0.000 2.067 101 A HA -0.009 4.312 4.320 0.002 0.000 0.219 101 A C 2.181 179.773 177.584 0.014 0.000 1.158 101 A CA 1.721 53.773 52.037 0.025 0.000 0.661 101 A CB -1.320 17.694 19.000 0.023 0.000 0.801 101 A HN 0.221 nan 8.150 nan 0.000 0.452 102 A N -0.555 122.277 122.820 0.020 0.000 2.178 102 A HA 0.067 4.388 4.320 0.002 0.000 0.211 102 A C 1.103 178.690 177.584 0.006 0.000 1.157 102 A CA 0.210 52.254 52.037 0.011 0.000 0.780 102 A CB -0.334 18.675 19.000 0.015 0.000 0.828 102 A HN 0.378 nan 8.150 nan 0.000 0.476 103 N N 1.527 120.237 118.700 0.018 0.000 2.605 103 N HA 0.022 4.763 4.740 0.002 0.000 0.258 103 N C 1.093 176.577 175.510 -0.044 0.000 1.156 103 N CA 0.871 53.923 53.050 0.003 0.000 1.008 103 N CB 0.453 38.973 38.487 0.054 0.000 1.354 103 N HN 0.398 nan 8.380 nan 0.000 0.509 104 T N -1.076 113.440 114.554 -0.064 0.000 3.081 104 T HA 0.103 4.454 4.350 0.002 0.000 0.255 104 T C 1.605 176.218 174.700 -0.145 0.000 1.113 104 T CA 0.508 62.554 62.100 -0.089 0.000 1.082 104 T CB 0.107 68.940 68.868 -0.058 0.000 0.939 104 T HN 0.249 nan 8.240 nan 0.000 0.506 105 A N 1.930 124.650 122.820 -0.166 0.000 2.119 105 A HA 0.407 4.728 4.320 0.002 0.000 0.217 105 A C 1.441 178.812 177.584 -0.355 0.000 1.153 105 A CA 0.529 52.436 52.037 -0.216 0.000 0.692 105 A CB -0.782 18.105 19.000 -0.188 0.000 0.799 105 A HN 0.730 nan 8.150 nan 0.000 0.458 106 L N -1.436 119.489 121.223 -0.497 0.000 3.608 106 L HA -0.199 4.142 4.340 0.002 0.000 0.422 106 L C -0.025 176.403 176.870 -0.736 0.000 1.260 106 L CA 0.768 54.969 54.840 -1.065 0.000 0.889 106 L CB -2.164 39.240 42.059 -1.091 0.000 1.821 106 L HN 0.727 nan 8.230 nan 0.000 0.884 107 E N 0.394 120.347 120.200 -0.411 0.000 2.246 107 E HA 0.579 4.930 4.350 0.002 0.000 0.266 107 E C 0.666 177.161 176.600 -0.175 0.000 0.880 107 E CA 0.259 56.473 56.400 -0.310 0.000 0.762 107 E CB 1.973 31.399 29.700 -0.457 0.000 1.180 107 E HN 0.304 nan 8.360 nan 0.000 0.416 108 G N 2.723 111.526 108.800 0.005 0.000 2.481 108 G HA2 -0.231 3.730 3.960 0.002 0.000 0.230 108 G HA3 -0.231 3.730 3.960 0.002 0.000 0.230 108 G C -1.218 173.813 174.900 0.218 0.000 1.210 108 G CA -0.251 44.924 45.100 0.124 0.000 0.936 108 G HN 0.651 nan 8.290 nan 0.000 0.583 109 L N 2.061 123.390 121.223 0.178 0.000 2.265 109 L HA 0.791 5.132 4.340 0.002 0.000 0.288 109 L C 0.051 177.023 176.870 0.170 0.000 1.058 109 L CA -0.700 54.216 54.840 0.126 0.000 0.809 109 L CB 0.179 42.297 42.059 0.098 0.000 1.179 109 L HN 1.058 nan 8.230 nan 0.000 0.429 110 Y N 1.805 122.105 120.300 0.001 0.000 2.705 110 Y HA 0.658 5.209 4.550 0.002 0.000 0.332 110 Y C -0.912 174.984 175.900 -0.007 0.000 1.157 110 Y CA -1.284 56.809 58.100 -0.012 0.000 1.091 110 Y CB 0.967 39.411 38.460 -0.025 0.000 1.301 110 Y HN 0.591 nan 8.280 nan 0.000 0.488 111 Q N 1.311 121.198 119.800 0.146 0.000 2.293 111 Q HA 0.512 4.853 4.340 0.002 0.000 0.261 111 Q C -1.333 174.687 176.000 0.033 0.000 0.960 111 Q CA -0.734 55.079 55.803 0.016 0.000 0.882 111 Q CB 1.582 30.322 28.738 0.003 0.000 1.275 111 Q HN 0.736 nan 8.270 nan 0.000 0.445 112 S N 3.218 118.913 115.700 -0.010 0.000 2.667 112 S HA 0.608 5.079 4.470 0.002 0.000 0.304 112 S C 0.408 175.053 174.600 0.076 0.000 1.135 112 S CA 0.397 58.654 58.200 0.095 0.000 1.125 112 S CB 0.283 63.665 63.200 0.304 0.000 0.996 112 S HN 1.048 nan 8.310 nan 0.000 0.474 113 G N 5.029 113.762 108.800 -0.111 0.000 2.634 113 G HA2 -0.314 3.647 3.960 0.002 0.000 0.318 113 G HA3 -0.314 3.647 3.960 0.002 0.000 0.318 113 G C 0.362 175.254 174.900 -0.014 0.000 1.207 113 G CA 0.813 45.916 45.100 0.005 0.000 0.987 113 G HN 0.645 nan 8.290 nan 0.000 0.547 114 D N 2.033 122.440 120.400 0.011 0.000 2.350 114 D HA 0.444 5.085 4.640 0.002 0.000 0.213 114 D C 1.419 177.747 176.300 0.045 0.000 1.031 114 D CA 0.932 54.927 54.000 -0.009 0.000 0.861 114 D CB 0.061 40.823 40.800 -0.063 0.000 0.926 114 D HN 0.762 nan 8.370 nan 0.000 0.520 115 A N 0.618 123.473 122.820 0.058 0.000 2.322 115 A HA 0.551 4.871 4.320 0.002 0.000 0.269 115 A C -0.058 177.581 177.584 0.092 0.000 1.094 115 A CA -0.320 51.789 52.037 0.119 0.000 0.807 115 A CB 0.562 19.666 19.000 0.174 0.000 1.047 115 A HN 0.113 nan 8.150 nan 0.000 0.487 116 L N 1.106 122.367 121.223 0.064 0.000 2.317 116 L HA 0.625 4.966 4.340 0.002 0.000 0.281 116 L C -0.105 176.664 176.870 -0.169 0.000 1.024 116 L CA -0.518 54.261 54.840 -0.101 0.000 0.810 116 L CB 1.320 43.267 42.059 -0.187 0.000 1.240 116 L HN 1.017 nan 8.230 nan 0.000 0.427 117 C N -0.407 118.694 119.300 -0.331 0.000 3.321 117 C HA 0.857 5.318 4.460 0.002 0.000 0.329 117 C C -0.037 174.697 174.990 -0.427 0.000 1.394 117 C CA -0.686 58.118 59.018 -0.357 0.000 1.291 117 C CB 1.488 29.045 27.740 -0.305 0.000 1.606 117 C HN 0.867 nan 8.230 nan 0.000 0.463 118 T N -0.665 113.752 114.554 -0.228 0.000 2.912 118 T HA 0.743 5.094 4.350 0.002 0.000 0.288 118 T C -0.994 173.798 174.700 0.154 0.000 1.030 118 T CA -0.178 61.908 62.100 -0.023 0.000 1.020 118 T CB 1.796 70.680 68.868 0.026 0.000 1.056 118 T HN 1.188 nan 8.240 nan 0.000 0.480 119 Q N 0.317 120.280 119.800 0.273 0.000 2.275 119 Q HA 0.519 4.860 4.340 0.002 0.000 0.266 119 Q C -0.669 175.415 176.000 0.140 0.000 1.002 119 Q CA -0.651 55.267 55.803 0.191 0.000 0.761 119 Q CB 0.933 29.714 28.738 0.072 0.000 1.255 119 Q HN 0.839 nan 8.270 nan 0.000 0.446 120 C N 2.518 121.923 119.300 0.175 0.000 2.820 120 C HA 0.283 4.743 4.460 0.002 0.000 0.323 120 C C 0.711 175.824 174.990 0.205 0.000 1.279 120 C CA -0.128 59.038 59.018 0.247 0.000 1.790 120 C CB -0.037 27.937 27.740 0.390 0.000 2.328 120 C HN 0.851 nan 8.230 nan 0.000 0.579 121 E N 0.962 121.251 120.200 0.148 0.000 2.344 121 E HA 0.359 4.710 4.350 0.002 0.000 0.270 121 E C 0.757 177.187 176.600 -0.284 0.000 1.021 121 E CA 0.152 56.555 56.400 0.004 0.000 0.887 121 E CB 0.991 30.718 29.700 0.046 0.000 0.997 121 E HN 0.416 nan 8.360 nan 0.000 0.429 122 A N 4.649 127.199 122.820 -0.450 0.000 1.911 122 A HA -0.008 4.313 4.320 0.002 0.000 0.212 122 A C 0.929 178.398 177.584 -0.192 0.000 1.189 122 A CA 0.692 52.289 52.037 -0.733 0.000 0.639 122 A CB 0.177 18.370 19.000 -1.345 0.000 0.839 122 A HN 0.742 nan 8.150 nan 0.000 0.449 123 E N -0.723 119.432 120.200 -0.075 0.000 3.385 123 E HA 0.248 4.599 4.350 0.002 0.000 0.206 123 E C 0.883 177.619 176.600 0.226 0.000 0.997 123 E CA 0.134 56.623 56.400 0.147 0.000 1.278 123 E CB 0.619 30.388 29.700 0.115 0.000 1.165 123 E HN 0.472 nan 8.360 nan 0.000 0.452 124 G N 0.195 109.120 108.800 0.207 0.000 2.603 124 G HA2 -0.166 3.795 3.960 0.002 0.000 0.214 124 G HA3 -0.166 3.795 3.960 0.002 0.000 0.214 124 G C 1.086 176.184 174.900 0.330 0.000 1.140 124 G CA -0.160 45.064 45.100 0.206 0.000 0.800 124 G HN 0.289 nan 8.290 nan 0.000 0.533 125 F N 2.784 122.865 119.950 0.218 0.000 2.216 125 F HA -0.043 4.485 4.527 0.002 0.000 0.300 125 F C 2.777 178.659 175.800 0.136 0.000 1.085 125 F CA 1.380 59.485 58.000 0.176 0.000 1.326 125 F CB 0.103 39.198 39.000 0.158 0.000 1.027 125 F HN 0.203 nan 8.300 nan 0.000 0.497 126 R N -0.761 119.880 120.500 0.236 0.000 2.293 126 R HA -0.141 4.200 4.340 0.002 0.000 0.219 126 R C 1.256 177.442 176.300 -0.188 0.000 1.091 126 R CA 1.716 57.831 56.100 0.025 0.000 1.004 126 R CB -1.283 29.065 30.300 0.079 0.000 0.865 126 R HN 0.428 nan 8.270 nan 0.000 0.469 127 H N -0.079 118.934 119.070 -0.096 0.000 2.547 127 H HA 0.164 4.721 4.556 0.002 0.000 0.266 127 H C 1.444 176.674 175.328 -0.164 0.000 0.988 127 H CA 0.720 56.700 56.048 -0.114 0.000 1.147 127 H CB 0.384 30.119 29.762 -0.044 0.000 1.365 127 H HN 0.309 nan 8.280 nan 0.000 0.589 128 I N -0.903 119.552 120.570 -0.191 0.000 3.300 128 I HA 0.011 4.182 4.170 0.002 0.000 0.279 128 I C 0.830 176.688 176.117 -0.432 0.000 1.172 128 I CA 0.471 61.601 61.300 -0.283 0.000 1.431 128 I CB 0.956 38.745 38.000 -0.350 0.000 1.240 128 I HN -0.056 nan 8.210 nan 0.000 0.453 129 T N -1.537 112.672 114.554 -0.575 0.000 2.769 129 T HA 0.380 4.731 4.350 0.002 0.000 0.306 129 T C -1.758 172.774 174.700 -0.281 0.000 1.400 129 T CA -0.431 61.413 62.100 -0.426 0.000 1.007 129 T CB 0.809 69.442 68.868 -0.392 0.000 1.392 129 T HN -0.125 nan 8.240 nan 0.000 0.500 130 Y N 2.250 122.504 120.300 -0.077 0.000 2.496 130 Y HA 0.520 5.070 4.550 0.002 0.000 0.334 130 Y C -0.174 175.825 175.900 0.164 0.000 1.080 130 Y CA 0.423 58.528 58.100 0.008 0.000 1.355 130 Y CB 0.148 38.576 38.460 -0.053 0.000 1.193 130 Y HN 0.541 nan 8.280 nan 0.000 0.523 131 Y N 1.427 121.850 120.300 0.204 0.000 2.670 131 Y HA 0.446 4.997 4.550 0.001 0.000 0.334 131 Y C -1.249 174.769 175.900 0.196 0.000 1.185 131 Y CA -1.728 56.506 58.100 0.223 0.000 1.053 131 Y CB 1.266 39.983 38.460 0.428 0.000 1.298 131 Y HN 0.336 nan 8.280 nan 0.000 0.459 132 L N 3.459 124.416 121.223 -0.444 0.000 2.395 132 L HA 0.169 4.510 4.340 0.002 0.000 0.268 132 L C -0.399 176.562 176.870 0.152 0.000 1.223 132 L CA 0.113 54.851 54.840 -0.170 0.000 1.093 132 L CB -0.315 41.576 42.059 -0.280 0.000 1.349 132 L HN 0.466 nan 8.230 nan 0.000 0.427 133 D N 4.778 125.380 120.400 0.337 0.000 2.619 133 D HA 0.128 4.769 4.640 0.002 0.000 0.224 133 D C -0.036 176.496 176.300 0.388 0.000 1.133 133 D CA -0.185 54.096 54.000 0.468 0.000 1.017 133 D CB 0.132 41.214 40.800 0.470 0.000 1.077 133 D HN 0.456 nan 8.370 nan 0.000 0.503 134 R N 1.015 121.715 120.500 0.335 0.000 2.536 134 R HA 0.377 4.718 4.340 0.002 0.000 0.269 134 R C -2.659 173.740 176.300 0.164 0.000 1.113 134 R CA -1.334 54.910 56.100 0.241 0.000 0.948 134 R CB 1.235 31.645 30.300 0.184 0.000 1.237 134 R HN -0.186 nan 8.270 nan 0.000 0.441 135 P HA -0.068 nan 4.420 nan 0.000 0.245 135 P C -0.169 177.137 177.300 0.010 0.000 1.212 135 P CA 0.699 63.793 63.100 -0.010 0.000 0.774 135 P CB 0.215 31.673 31.700 -0.404 0.000 0.999 136 D N -0.593 119.826 120.400 0.033 0.000 2.340 136 D HA 0.001 4.642 4.640 0.002 0.000 0.220 136 D C 0.309 176.669 176.300 0.101 0.000 1.039 136 D CA -0.171 53.874 54.000 0.076 0.000 0.866 136 D CB -0.512 40.374 40.800 0.144 0.000 0.913 136 D HN -0.010 nan 8.370 nan 0.000 0.523 137 V N 2.002 121.985 119.914 0.114 0.000 2.318 137 V HA 0.201 4.322 4.120 0.002 0.000 0.271 137 V C -0.639 175.544 176.094 0.148 0.000 1.030 137 V CA -0.714 61.654 62.300 0.114 0.000 0.844 137 V CB 1.294 33.164 31.823 0.079 0.000 1.015 137 V HN 0.098 nan 8.190 nan 0.000 0.460 138 L N 4.938 126.237 121.223 0.127 0.000 2.305 138 L HA 0.873 5.214 4.340 0.002 0.000 0.284 138 L C 0.213 177.173 176.870 0.150 0.000 1.013 138 L CA -0.398 54.525 54.840 0.139 0.000 0.819 138 L CB 1.040 43.157 42.059 0.097 0.000 1.227 138 L HN 0.681 nan 8.230 nan 0.000 0.417 139 A N 3.889 126.843 122.820 0.223 0.000 2.454 139 A HA 0.797 5.118 4.320 0.002 0.000 0.302 139 A C -0.347 177.383 177.584 0.244 0.000 1.079 139 A CA -0.780 51.356 52.037 0.165 0.000 0.731 139 A CB 1.474 20.520 19.000 0.076 0.000 1.299 139 A HN 0.644 nan 8.150 nan 0.000 0.413 140 R N 0.510 121.090 120.500 0.134 0.000 2.267 140 R HA 0.422 4.763 4.340 0.002 0.000 0.319 140 R C -1.486 174.907 176.300 0.154 0.000 1.067 140 R CA 0.201 56.406 56.100 0.175 0.000 0.936 140 R CB 0.347 30.695 30.300 0.080 0.000 1.006 140 R HN 0.540 nan 8.270 nan 0.000 0.452 141 F N 0.738 120.720 119.950 0.053 0.000 2.421 141 F HA 0.319 4.847 4.527 0.002 0.000 0.337 141 F C 0.554 176.424 175.800 0.117 0.000 1.105 141 F CA -0.226 57.823 58.000 0.082 0.000 1.049 141 F CB 2.131 41.203 39.000 0.121 0.000 1.139 141 F HN 0.300 nan 8.300 nan 0.000 0.479 142 T N 1.554 116.260 114.554 0.253 0.000 2.841 142 T HA 0.480 4.831 4.350 0.002 0.000 0.285 142 T C -0.686 174.192 174.700 0.297 0.000 0.991 142 T CA -0.740 61.508 62.100 0.247 0.000 0.966 142 T CB 1.340 70.294 68.868 0.143 0.000 0.962 142 T HN 0.446 nan 8.240 nan 0.000 0.438 143 T N 3.411 118.201 114.554 0.392 0.000 2.833 143 T HA 0.417 4.768 4.350 0.002 0.000 0.297 143 T C -0.388 174.574 174.700 0.436 0.000 1.015 143 T CA -0.748 61.632 62.100 0.467 0.000 0.963 143 T CB 1.098 70.318 68.868 0.587 0.000 0.955 143 T HN 0.423 nan 8.240 nan 0.000 0.449 144 K N 4.316 124.924 120.400 0.348 0.000 2.213 144 K HA 0.611 4.931 4.320 0.002 0.000 0.270 144 K C -0.967 175.837 176.600 0.339 0.000 1.002 144 K CA -0.671 55.800 56.287 0.307 0.000 0.868 144 K CB 0.650 33.220 32.500 0.117 0.000 1.093 144 K HN 0.561 nan 8.250 nan 0.000 0.454 145 I N 6.071 126.848 120.570 0.345 0.000 2.436 145 I HA 0.365 4.536 4.170 0.002 0.000 0.289 145 I C -0.532 175.721 176.117 0.226 0.000 1.010 145 I CA -0.899 60.565 61.300 0.273 0.000 1.098 145 I CB 1.680 39.798 38.000 0.197 0.000 1.266 145 I HN 0.471 nan 8.210 nan 0.000 0.434 146 I N 5.590 126.268 120.570 0.181 0.000 2.406 146 I HA 0.809 4.980 4.170 0.002 0.000 0.290 146 I C -0.087 176.113 176.117 0.139 0.000 0.999 146 I CA -0.281 61.123 61.300 0.173 0.000 1.124 146 I CB 1.871 39.948 38.000 0.128 0.000 1.289 146 I HN 0.705 nan 8.210 nan 0.000 0.441 147 A N 3.744 126.671 122.820 0.178 0.000 2.610 147 A HA 0.462 4.783 4.320 0.002 0.000 0.291 147 A C -1.392 176.420 177.584 0.380 0.000 1.086 147 A CA -0.707 51.478 52.037 0.247 0.000 0.677 147 A CB 1.311 20.433 19.000 0.204 0.000 1.278 147 A HN 0.691 nan 8.150 nan 0.000 0.414 148 D N 0.571 121.200 120.400 0.381 0.000 2.520 148 D HA 0.050 4.691 4.640 0.002 0.000 0.243 148 D C 1.093 177.543 176.300 0.251 0.000 1.160 148 D CA 0.782 54.948 54.000 0.277 0.000 0.877 148 D CB 0.644 41.557 40.800 0.188 0.000 1.150 148 D HN 0.515 nan 8.370 nan 0.000 0.494 149 K N 3.237 123.693 120.400 0.094 0.000 2.097 149 K HA -0.108 4.213 4.320 0.002 0.000 0.205 149 K C 1.697 178.197 176.600 -0.166 0.000 1.050 149 K CA 0.878 57.028 56.287 -0.228 0.000 0.938 149 K CB 0.055 32.312 32.500 -0.405 0.000 0.718 149 K HN 0.584 nan 8.250 nan 0.000 0.442 150 I N 0.619 121.125 120.570 -0.107 0.000 2.233 150 I HA -0.237 3.934 4.170 0.002 0.000 0.243 150 I C 2.445 178.467 176.117 -0.158 0.000 1.093 150 I CA 1.148 62.377 61.300 -0.117 0.000 1.380 150 I CB -0.087 37.858 38.000 -0.091 0.000 1.067 150 I HN 0.104 nan 8.210 nan 0.000 0.413 151 K N 0.103 120.363 120.400 -0.233 0.000 2.103 151 K HA -0.101 4.220 4.320 0.002 0.000 0.204 151 K C -0.156 176.079 176.600 -0.608 0.000 1.052 151 K CA 1.177 57.150 56.287 -0.523 0.000 0.945 151 K CB 0.227 32.240 32.500 -0.813 0.000 0.722 151 K HN 0.205 nan 8.250 nan 0.000 0.443 152 Y N -0.050 120.289 120.300 0.065 0.000 2.562 152 Y HA 0.240 4.791 4.550 0.002 0.000 0.363 152 Y C -2.086 173.944 175.900 0.216 0.000 0.991 152 Y CA -2.494 55.687 58.100 0.135 0.000 1.121 152 Y CB 1.123 39.679 38.460 0.160 0.000 1.159 152 Y HN 0.096 nan 8.280 nan 0.000 0.651 153 P HA -0.109 nan 4.420 nan 0.000 0.221 153 P C -0.191 177.103 177.300 -0.010 0.000 1.150 153 P CA 1.088 64.174 63.100 -0.024 0.000 0.800 153 P CB 0.255 31.831 31.700 -0.207 0.000 0.787 154 F N 0.407 120.563 119.950 0.344 0.000 2.427 154 F HA 0.405 4.933 4.527 0.002 0.000 0.346 154 F C 0.596 176.573 175.800 0.295 0.000 1.120 154 F CA -0.831 57.385 58.000 0.360 0.000 1.033 154 F CB 1.249 40.524 39.000 0.458 0.000 1.126 154 F HN -0.347 nan 8.300 nan 0.000 0.462 155 L N 5.766 127.227 121.223 0.396 0.000 2.377 155 L HA 0.554 4.895 4.340 0.002 0.000 0.270 155 L C -1.043 176.018 176.870 0.319 0.000 0.991 155 L CA -0.397 54.597 54.840 0.257 0.000 0.851 155 L CB 1.425 43.588 42.059 0.173 0.000 1.218 155 L HN 0.525 nan 8.230 nan 0.000 0.420 156 L N 2.037 123.217 121.223 -0.071 0.000 2.365 156 L HA 0.746 5.087 4.340 0.002 0.000 0.273 156 L C -0.097 176.180 176.870 -0.990 0.000 1.000 156 L CA -0.293 54.174 54.840 -0.622 0.000 0.819 156 L CB 2.157 43.817 42.059 -0.664 0.000 1.284 156 L HN 0.559 nan 8.230 nan 0.000 0.418 157 S N 0.770 115.346 115.700 -1.873 0.000 2.720 157 S HA 0.486 4.957 4.470 0.002 0.000 0.287 157 S C -0.990 172.985 174.600 -1.042 0.000 1.168 157 S CA -0.800 56.706 58.200 -1.157 0.000 0.832 157 S CB 1.488 64.335 63.200 -0.590 0.000 1.166 157 S HN 0.712 nan 8.310 nan 0.000 0.493 158 N N 0.980 119.341 118.700 -0.565 0.000 2.454 158 N HA 0.483 5.224 4.740 0.002 0.000 0.254 158 N C 0.713 176.203 175.510 -0.034 0.000 1.228 158 N CA 1.296 54.151 53.050 -0.325 0.000 0.900 158 N CB 0.328 38.657 38.487 -0.265 0.000 1.089 158 N HN 1.049 nan 8.380 nan 0.000 0.449 159 G N 1.187 110.019 108.800 0.053 0.000 2.513 159 G HA2 -0.233 3.728 3.960 0.002 0.000 0.227 159 G HA3 -0.233 3.728 3.960 0.002 0.000 0.227 159 G C -1.059 174.105 174.900 0.439 0.000 1.176 159 G CA -0.632 44.602 45.100 0.224 0.000 0.967 159 G HN 0.621 nan 8.290 nan 0.000 0.587 160 N N 0.671 119.610 118.700 0.398 0.000 2.319 160 N HA 0.501 5.242 4.740 0.002 0.000 0.305 160 N C -0.089 175.425 175.510 0.008 0.000 1.103 160 N CA -0.668 52.537 53.050 0.258 0.000 0.815 160 N CB 1.706 40.262 38.487 0.115 0.000 1.288 160 N HN 0.581 nan 8.380 nan 0.000 0.493 161 R N 0.804 120.995 120.500 -0.515 0.000 2.421 161 R HA 0.082 4.423 4.340 0.002 0.000 0.305 161 R C 1.169 177.264 176.300 -0.343 0.000 1.039 161 R CA 0.006 55.617 56.100 -0.814 0.000 1.003 161 R CB 0.393 30.193 30.300 -0.834 0.000 0.959 161 R HN 0.477 nan 8.270 nan 0.000 0.427 162 V N -0.410 119.357 119.914 -0.245 0.000 3.604 162 V HA 0.523 4.644 4.120 0.002 0.000 0.277 162 V C 0.295 176.346 176.094 -0.071 0.000 1.399 162 V CA 0.451 62.692 62.300 -0.098 0.000 1.034 162 V CB 0.502 32.317 31.823 -0.013 0.000 0.824 162 V HN 0.651 nan 8.190 nan 0.000 0.439 163 A N 0.840 123.597 122.820 -0.104 0.000 2.612 163 A HA 0.825 5.146 4.320 0.002 0.000 0.293 163 A C -1.349 176.042 177.584 -0.322 0.000 1.075 163 A CA -0.299 51.690 52.037 -0.081 0.000 0.680 163 A CB 1.655 20.779 19.000 0.206 0.000 1.279 163 A HN 0.718 nan 8.150 nan 0.000 0.411 164 Q N 0.382 119.793 119.800 -0.648 0.000 2.479 164 Q HA 0.678 5.019 4.340 0.002 0.000 0.276 164 Q C -0.520 174.724 176.000 -1.260 0.000 0.989 164 Q CA -0.614 54.588 55.803 -1.002 0.000 0.864 164 Q CB 1.710 30.138 28.738 -0.516 0.000 1.444 164 Q HN 1.976 nan 8.270 nan 0.000 0.388 165 G N 0.841 108.673 108.800 -1.613 0.000 2.677 165 G HA2 0.516 4.477 3.960 0.002 0.000 0.291 165 G HA3 0.516 4.477 3.960 0.002 0.000 0.291 165 G C -1.580 173.011 174.900 -0.514 0.000 1.435 165 G CA -0.566 43.922 45.100 -1.019 0.000 0.826 165 G HN 0.441 nan 8.290 nan 0.000 0.491 166 E N -0.172 119.963 120.200 -0.108 0.000 2.207 166 E HA 0.630 4.980 4.350 0.002 0.000 0.270 166 E C -0.655 176.042 176.600 0.162 0.000 0.927 166 E CA -0.511 55.919 56.400 0.049 0.000 0.799 166 E CB 2.647 32.357 29.700 0.016 0.000 1.172 166 E HN 0.316 nan 8.360 nan 0.000 0.404 167 L N 0.666 122.002 121.223 0.189 0.000 2.279 167 L HA 0.361 4.702 4.340 0.002 0.000 0.262 167 L C 0.561 177.500 176.870 0.114 0.000 1.019 167 L CA -1.033 53.913 54.840 0.177 0.000 0.823 167 L CB 1.381 43.570 42.059 0.216 0.000 1.358 167 L HN 0.541 nan 8.230 nan 0.000 0.432 168 E N -0.330 119.925 120.200 0.092 0.000 2.391 168 E HA 0.126 4.477 4.350 0.002 0.000 0.255 168 E C -0.581 176.059 176.600 0.067 0.000 1.187 168 E CA -0.512 55.927 56.400 0.066 0.000 0.941 168 E CB 0.219 29.951 29.700 0.052 0.000 1.010 168 E HN 0.601 nan 8.360 nan 0.000 0.458 169 N N 0.210 118.941 118.700 0.051 0.000 2.776 169 N HA -0.186 4.555 4.740 0.002 0.000 0.250 169 N C 0.596 176.139 175.510 0.054 0.000 1.112 169 N CA 1.199 54.278 53.050 0.048 0.000 0.733 169 N CB -1.771 36.747 38.487 0.051 0.000 1.097 169 N HN 1.070 nan 8.380 nan 0.000 0.558 170 G N -0.496 108.334 108.800 0.050 0.000 2.198 170 G HA2 -0.367 3.594 3.960 0.002 0.000 0.260 170 G HA3 -0.367 3.594 3.960 0.002 0.000 0.260 170 G C 0.047 174.993 174.900 0.078 0.000 1.025 170 G CA 0.765 45.889 45.100 0.041 0.000 0.769 170 G HN 0.621 nan 8.290 nan 0.000 0.507 171 R N -0.375 120.200 120.500 0.125 0.000 2.664 171 R HA 0.702 5.043 4.340 0.002 0.000 0.286 171 R C 0.377 176.849 176.300 0.287 0.000 0.967 171 R CA -0.409 55.818 56.100 0.210 0.000 0.933 171 R CB 1.249 31.664 30.300 0.192 0.000 1.146 171 R HN 0.764 nan 8.270 nan 0.000 0.468 172 H N -0.777 118.380 119.070 0.145 0.000 2.908 172 H HA 0.670 5.227 4.556 0.002 0.000 0.350 172 H C -1.289 174.189 175.328 0.250 0.000 1.217 172 H CA -1.106 55.018 56.048 0.126 0.000 1.168 172 H CB 1.984 31.752 29.762 0.011 0.000 1.891 172 H HN 0.687 nan 8.280 nan 0.000 0.566 173 W N 0.269 121.489 121.300 -0.133 0.000 3.167 173 W HA 0.638 5.299 4.660 0.001 0.000 0.324 173 W C -2.567 173.870 176.519 -0.137 0.000 1.230 173 W CA -1.174 56.076 57.345 -0.157 0.000 1.184 173 W CB 0.863 30.305 29.460 -0.030 0.000 1.414 173 W HN 0.550 nan 8.180 nan 0.000 0.551 174 V N 1.831 121.849 119.914 0.174 0.000 2.888 174 V HA 0.366 4.487 4.120 0.002 0.000 0.309 174 V C -0.701 175.558 176.094 0.274 0.000 1.114 174 V CA -0.669 61.641 62.300 0.017 0.000 0.940 174 V CB 1.873 33.680 31.823 -0.026 0.000 1.021 174 V HN 0.628 nan 8.190 nan 0.000 0.426 175 Q N 2.024 121.912 119.800 0.146 0.000 2.353 175 Q HA 0.535 4.876 4.340 0.002 0.000 0.268 175 Q C -2.066 173.914 176.000 -0.035 0.000 1.045 175 Q CA -0.565 55.374 55.803 0.226 0.000 0.811 175 Q CB 2.175 31.118 28.738 0.341 0.000 1.305 175 Q HN 0.708 nan 8.270 nan 0.000 0.447 176 W N 1.808 123.196 121.300 0.148 0.000 2.689 176 W HA 0.469 5.130 4.660 0.001 0.000 0.340 176 W C -0.528 176.064 176.519 0.122 0.000 1.060 176 W CA -0.473 56.938 57.345 0.110 0.000 1.218 176 W CB 1.818 31.328 29.460 0.084 0.000 1.410 176 W HN 0.521 nan 8.180 nan 0.000 0.528 177 Q N 2.111 122.104 119.800 0.322 0.000 2.323 177 Q HA 0.247 4.588 4.340 0.002 0.000 0.271 177 Q C -1.740 174.386 176.000 0.211 0.000 1.048 177 Q CA -0.604 55.338 55.803 0.232 0.000 0.792 177 Q CB 1.954 30.775 28.738 0.138 0.000 1.280 177 Q HN 0.373 nan 8.270 nan 0.000 0.441 178 D N 5.075 125.591 120.400 0.193 0.000 2.381 178 D HA 0.294 4.935 4.640 0.002 0.000 0.235 178 D C -1.824 174.534 176.300 0.096 0.000 1.068 178 D CA -2.220 51.868 54.000 0.146 0.000 0.832 178 D CB 1.820 42.692 40.800 0.120 0.000 1.101 178 D HN 0.358 nan 8.370 nan 0.000 0.515 179 P HA 0.005 nan 4.420 nan 0.000 0.229 179 P C 0.078 177.247 177.300 -0.219 0.000 1.160 179 P CA 0.171 63.179 63.100 -0.153 0.000 0.777 179 P CB 0.065 31.573 31.700 -0.321 0.000 0.814 180 F N 1.929 121.862 119.950 -0.029 0.000 2.420 180 F HA 0.354 4.882 4.527 0.001 0.000 0.352 180 F C -1.776 174.014 175.800 -0.016 0.000 1.108 180 F CA -2.672 55.296 58.000 -0.054 0.000 1.162 180 F CB -0.043 38.881 39.000 -0.126 0.000 1.118 180 F HN -0.219 nan 8.300 nan 0.000 0.510 181 P HA 0.072 nan 4.420 nan 0.000 0.266 181 P C -1.205 176.161 177.300 0.110 0.000 1.195 181 P CA -0.127 63.060 63.100 0.144 0.000 0.768 181 P CB 0.405 32.170 31.700 0.109 0.000 0.838 182 K N 2.761 123.230 120.400 0.115 0.000 2.502 182 K HA 0.626 4.947 4.320 0.002 0.000 0.257 182 K C -3.143 173.479 176.600 0.037 0.000 0.938 182 K CA -2.483 53.789 56.287 -0.024 0.000 0.819 182 K CB 1.913 34.287 32.500 -0.209 0.000 1.333 182 K HN 0.095 nan 8.250 nan 0.000 0.434 183 P HA -0.012 nan 4.420 nan 0.000 0.272 183 P C 0.945 178.182 177.300 -0.106 0.000 1.230 183 P CA -0.531 62.592 63.100 0.038 0.000 0.788 183 P CB 0.783 32.538 31.700 0.091 0.000 0.949 184 C N 0.265 119.577 119.300 0.021 0.000 2.456 184 C HA -0.073 4.388 4.460 0.002 0.000 0.279 184 C C 2.608 177.519 174.990 -0.131 0.000 1.427 184 C CA 0.195 59.032 59.018 -0.301 0.000 1.778 184 C CB -2.643 24.662 27.740 -0.725 0.000 1.842 184 C HN 0.634 nan 8.230 nan 0.000 0.531 185 Y N 0.893 121.256 120.300 0.106 0.000 2.483 185 Y HA 0.207 4.758 4.550 0.001 0.000 0.291 185 Y C 1.777 177.729 175.900 0.086 0.000 1.143 185 Y CA 0.764 58.983 58.100 0.199 0.000 1.289 185 Y CB -0.757 37.954 38.460 0.418 0.000 0.983 185 Y HN 0.279 nan 8.280 nan 0.000 0.556 186 L N -0.307 120.598 121.223 -0.530 0.000 2.607 186 L HA 0.151 4.492 4.340 0.002 0.000 0.228 186 L C 0.264 176.901 176.870 -0.388 0.000 1.123 186 L CA -0.457 54.084 54.840 -0.499 0.000 0.890 186 L CB -0.164 41.499 42.059 -0.659 0.000 1.103 186 L HN 0.193 nan 8.230 nan 0.000 0.468 187 F N 1.785 121.438 119.950 -0.495 0.000 2.529 187 F HA 0.420 4.947 4.527 0.002 0.000 0.365 187 F C 0.398 176.075 175.800 -0.205 0.000 1.102 187 F CA -0.661 57.067 58.000 -0.453 0.000 1.271 187 F CB 0.471 39.231 39.000 -0.400 0.000 1.120 187 F HN -0.103 nan 8.300 nan 0.000 0.579 188 A N 6.996 129.002 122.820 -1.357 0.000 2.539 188 A HA 0.755 5.076 4.320 0.002 0.000 0.296 188 A C -2.055 174.743 177.584 -1.310 0.000 1.073 188 A CA -0.773 50.651 52.037 -1.021 0.000 0.700 188 A CB 1.539 20.194 19.000 -0.575 0.000 1.296 188 A HN 0.993 nan 8.150 nan 0.000 0.405 189 L N 1.716 122.458 121.223 -0.802 0.000 2.431 189 L HA 0.842 5.183 4.340 0.002 0.000 0.266 189 L C -1.799 174.808 176.870 -0.438 0.000 0.978 189 L CA -0.647 53.818 54.840 -0.626 0.000 0.822 189 L CB 2.163 43.882 42.059 -0.567 0.000 1.310 189 L HN 0.542 nan 8.230 nan 0.000 0.409 190 V N 3.577 123.256 119.914 -0.391 0.000 2.686 190 V HA 0.896 5.017 4.120 0.002 0.000 0.306 190 V C -0.532 175.499 176.094 -0.105 0.000 1.065 190 V CA -0.274 61.875 62.300 -0.253 0.000 0.894 190 V CB 1.727 33.348 31.823 -0.337 0.000 1.004 190 V HN 0.882 nan 8.190 nan 0.000 0.424 191 A N 2.960 125.790 122.820 0.016 0.000 2.398 191 A HA 1.055 5.376 4.320 0.002 0.000 0.301 191 A C -0.050 177.764 177.584 0.382 0.000 1.041 191 A CA 0.111 52.232 52.037 0.140 0.000 0.711 191 A CB 1.928 20.805 19.000 -0.204 0.000 1.240 191 A HN 1.757 nan 8.150 nan 0.000 0.420 192 G N 0.391 109.484 108.800 0.488 0.000 2.317 192 G HA2 0.458 4.418 3.960 0.002 0.000 0.293 192 G HA3 0.458 4.418 3.960 0.002 0.000 0.293 192 G C -2.242 172.590 174.900 -0.113 0.000 1.287 192 G CA -0.284 44.867 45.100 0.085 0.000 0.850 192 G HN 0.825 nan 8.290 nan 0.000 0.515 193 D N -0.722 119.376 120.400 -0.502 0.000 2.278 193 D HA 0.773 5.414 4.640 0.002 0.000 0.245 193 D C -1.153 174.805 176.300 -0.570 0.000 1.052 193 D CA -0.216 53.672 54.000 -0.187 0.000 0.834 193 D CB 1.160 41.910 40.800 -0.084 0.000 1.194 193 D HN 0.225 nan 8.370 nan 0.000 0.481 194 F N 0.890 120.946 119.950 0.176 0.000 2.631 194 F HA 0.278 4.806 4.527 0.002 0.000 0.308 194 F C 0.005 175.765 175.800 -0.067 0.000 1.097 194 F CA -1.041 56.943 58.000 -0.026 0.000 0.952 194 F CB 1.568 40.484 39.000 -0.140 0.000 1.307 194 F HN 0.080 nan 8.300 nan 0.000 0.450 195 D N 1.462 121.938 120.400 0.127 0.000 2.345 195 D HA 0.488 5.129 4.640 0.002 0.000 0.247 195 D C -0.718 175.508 176.300 -0.123 0.000 1.108 195 D CA 0.229 54.242 54.000 0.023 0.000 0.894 195 D CB 1.787 42.600 40.800 0.021 0.000 1.203 195 D HN 0.147 nan 8.370 nan 0.000 0.430 196 V N 3.058 122.847 119.914 -0.208 0.000 2.483 196 V HA 0.210 4.331 4.120 0.002 0.000 0.297 196 V C -0.249 175.689 176.094 -0.259 0.000 1.027 196 V CA -0.961 61.082 62.300 -0.428 0.000 0.855 196 V CB 1.737 33.178 31.823 -0.638 0.000 0.995 196 V HN 0.300 nan 8.190 nan 0.000 0.424 197 L N 6.536 127.606 121.223 -0.255 0.000 2.260 197 L HA 0.558 4.899 4.340 0.002 0.000 0.289 197 L C 0.162 176.930 176.870 -0.170 0.000 1.057 197 L CA 0.306 55.049 54.840 -0.163 0.000 0.811 197 L CB 0.501 42.483 42.059 -0.129 0.000 1.184 197 L HN 0.599 nan 8.230 nan 0.000 0.429 198 R N 3.898 124.332 120.500 -0.110 0.000 2.445 198 R HA 0.581 4.922 4.340 0.002 0.000 0.308 198 R C -1.126 175.148 176.300 -0.043 0.000 0.961 198 R CA -0.778 55.275 56.100 -0.078 0.000 0.862 198 R CB 1.687 31.957 30.300 -0.050 0.000 1.144 198 R HN 0.599 nan 8.270 nan 0.000 0.447 199 D N 0.139 120.522 120.400 -0.029 0.000 2.752 199 D HA 0.459 5.099 4.640 0.002 0.000 0.313 199 D C -1.131 175.181 176.300 0.019 0.000 1.225 199 D CA -0.262 53.732 54.000 -0.010 0.000 0.976 199 D CB 2.619 43.404 40.800 -0.025 0.000 1.443 199 D HN 0.326 nan 8.370 nan 0.000 0.515 200 T N 0.409 114.985 114.554 0.038 0.000 2.900 200 T HA 0.556 4.907 4.350 0.002 0.000 0.303 200 T C -1.451 173.322 174.700 0.122 0.000 1.142 200 T CA -0.434 61.709 62.100 0.072 0.000 1.007 200 T CB 1.052 69.948 68.868 0.047 0.000 1.156 200 T HN 0.245 nan 8.240 nan 0.000 0.490 201 F N 1.664 121.605 119.950 -0.015 0.000 2.547 201 F HA 0.565 5.093 4.527 0.001 0.000 0.316 201 F C -0.455 175.359 175.800 0.024 0.000 1.121 201 F CA -0.368 57.619 58.000 -0.022 0.000 0.911 201 F CB 1.820 40.775 39.000 -0.076 0.000 1.179 201 F HN 0.422 nan 8.300 nan 0.000 0.443 202 T N 4.170 118.409 114.554 -0.525 0.000 2.749 202 T HA 0.327 4.677 4.350 0.002 0.000 0.287 202 T C 0.140 174.577 174.700 -0.439 0.000 0.970 202 T CA -0.507 61.410 62.100 -0.306 0.000 0.980 202 T CB 0.836 69.576 68.868 -0.215 0.000 0.924 202 T HN 0.753 nan 8.240 nan 0.000 0.456 203 T N 0.942 115.496 114.554 0.001 0.000 2.748 203 T HA 0.145 4.496 4.350 0.002 0.000 0.304 203 T C 1.511 176.242 174.700 0.051 0.000 1.041 203 T CA -0.651 61.555 62.100 0.176 0.000 1.033 203 T CB 0.587 69.629 68.868 0.289 0.000 0.995 203 T HN 0.633 nan 8.240 nan 0.000 0.536 204 R N 0.541 121.102 120.500 0.101 0.000 2.285 204 R HA 0.041 4.382 4.340 0.002 0.000 0.213 204 R C 1.990 178.315 176.300 0.041 0.000 1.068 204 R CA 1.307 57.436 56.100 0.049 0.000 1.004 204 R CB -0.741 29.598 30.300 0.064 0.000 0.873 204 R HN 0.657 nan 8.270 nan 0.000 0.467 205 S N -1.247 114.490 115.700 0.062 0.000 2.556 205 S HA 0.302 4.773 4.470 0.002 0.000 0.216 205 S C 1.355 175.982 174.600 0.044 0.000 0.970 205 S CA -0.142 58.088 58.200 0.051 0.000 0.912 205 S CB 0.410 63.648 63.200 0.063 0.000 0.790 205 S HN 0.636 nan 8.310 nan 0.000 0.504 206 G N 1.577 110.400 108.800 0.038 0.000 2.144 206 G HA2 -0.257 3.704 3.960 0.002 0.000 0.218 206 G HA3 -0.257 3.704 3.960 0.002 0.000 0.218 206 G C 0.007 174.936 174.900 0.047 0.000 0.988 206 G CA -0.145 44.970 45.100 0.025 0.000 0.659 206 G HN 0.714 nan 8.290 nan 0.000 0.522 207 R N 1.114 121.665 120.500 0.085 0.000 2.370 207 R HA 0.400 4.741 4.340 0.002 0.000 0.309 207 R C 0.079 176.456 176.300 0.128 0.000 1.059 207 R CA -0.169 56.001 56.100 0.117 0.000 0.981 207 R CB 0.302 30.696 30.300 0.157 0.000 0.972 207 R HN 0.388 nan 8.270 nan 0.000 0.437 208 E N 4.165 124.430 120.200 0.108 0.000 2.167 208 E HA 0.168 4.519 4.350 0.002 0.000 0.284 208 E C -1.180 175.520 176.600 0.167 0.000 1.016 208 E CA -0.638 55.825 56.400 0.106 0.000 0.817 208 E CB 1.169 30.908 29.700 0.066 0.000 1.080 208 E HN 0.345 nan 8.360 nan 0.000 0.397 209 V N 3.532 123.578 119.914 0.220 0.000 2.398 209 V HA 0.447 4.568 4.120 0.002 0.000 0.286 209 V C 0.147 176.361 176.094 0.199 0.000 1.026 209 V CA -0.843 61.620 62.300 0.272 0.000 0.868 209 V CB 1.320 33.373 31.823 0.383 0.000 0.982 209 V HN 0.811 nan 8.190 nan 0.000 0.443 210 A N 6.495 129.425 122.820 0.185 0.000 2.362 210 A HA 0.714 5.035 4.320 0.002 0.000 0.276 210 A C -0.406 177.258 177.584 0.134 0.000 1.153 210 A CA -0.245 51.874 52.037 0.137 0.000 0.813 210 A CB -0.004 19.076 19.000 0.132 0.000 1.081 210 A HN 0.819 nan 8.150 nan 0.000 0.507 211 L N 2.648 123.915 121.223 0.074 0.000 2.296 211 L HA 0.502 4.843 4.340 0.002 0.000 0.286 211 L C -0.181 176.688 176.870 -0.003 0.000 1.023 211 L CA -0.175 54.684 54.840 0.031 0.000 0.812 211 L CB 1.369 43.397 42.059 -0.052 0.000 1.223 211 L HN 0.736 nan 8.230 nan 0.000 0.421 212 E N 4.794 124.997 120.200 0.006 0.000 2.244 212 E HA 0.485 4.836 4.350 0.002 0.000 0.260 212 E C -1.265 175.251 176.600 -0.139 0.000 0.884 212 E CA -0.513 55.822 56.400 -0.108 0.000 0.777 212 E CB 2.612 32.281 29.700 -0.052 0.000 1.197 212 E HN 0.441 nan 8.360 nan 0.000 0.416 213 L N 3.931 124.996 121.223 -0.262 0.000 2.280 213 L HA 0.428 4.769 4.340 0.002 0.000 0.287 213 L C -0.947 175.706 176.870 -0.362 0.000 1.023 213 L CA -0.759 53.942 54.840 -0.233 0.000 0.819 213 L CB 0.359 42.293 42.059 -0.208 0.000 1.212 213 L HN 0.543 nan 8.230 nan 0.000 0.420 214 Y N 2.979 123.089 120.300 -0.317 0.000 2.328 214 Y HA 0.493 5.044 4.550 0.001 0.000 0.337 214 Y C 0.372 176.097 175.900 -0.292 0.000 1.008 214 Y CA -0.753 57.095 58.100 -0.420 0.000 1.129 214 Y CB 1.875 39.822 38.460 -0.854 0.000 1.185 214 Y HN 0.368 nan 8.280 nan 0.000 0.476 215 V N -0.936 118.997 119.914 0.032 0.000 3.040 215 V HA 0.556 4.677 4.120 0.002 0.000 0.312 215 V C -0.592 175.659 176.094 0.262 0.000 1.115 215 V CA -1.281 61.084 62.300 0.107 0.000 0.998 215 V CB 1.955 33.789 31.823 0.018 0.000 1.042 215 V HN 0.495 nan 8.190 nan 0.000 0.433 216 D N 2.037 122.569 120.400 0.221 0.000 2.449 216 D HA 0.145 4.786 4.640 0.002 0.000 0.236 216 D C 0.449 176.806 176.300 0.095 0.000 1.149 216 D CA 0.225 54.322 54.000 0.161 0.000 0.878 216 D CB 0.386 41.251 40.800 0.108 0.000 1.198 216 D HN 0.451 nan 8.370 nan 0.000 0.446 217 R N 1.002 121.535 120.500 0.056 0.000 2.494 217 R HA 0.194 4.535 4.340 0.002 0.000 0.291 217 R C 1.280 177.600 176.300 0.033 0.000 0.953 217 R CA 0.866 56.990 56.100 0.041 0.000 1.098 217 R CB -0.394 29.918 30.300 0.022 0.000 0.911 217 R HN 0.812 nan 8.270 nan 0.000 0.407 218 G N 2.780 111.597 108.800 0.029 0.000 2.176 218 G HA2 -0.301 3.660 3.960 0.002 0.000 0.232 218 G HA3 -0.301 3.660 3.960 0.002 0.000 0.232 218 G C 0.462 175.374 174.900 0.020 0.000 0.986 218 G CA 0.239 45.352 45.100 0.021 0.000 0.643 218 G HN 0.664 nan 8.290 nan 0.000 0.522 219 N N -0.224 118.490 118.700 0.023 0.000 2.238 219 N HA 0.344 5.085 4.740 0.002 0.000 0.222 219 N C 1.534 177.047 175.510 0.006 0.000 1.133 219 N CA -0.491 52.569 53.050 0.016 0.000 0.854 219 N CB 0.300 38.800 38.487 0.021 0.000 1.041 219 N HN 0.185 nan 8.380 nan 0.000 0.510 220 L N 1.634 122.859 121.223 0.004 0.000 2.201 220 L HA -0.130 4.211 4.340 0.002 0.000 0.212 220 L C 1.863 178.734 176.870 0.001 0.000 1.105 220 L CA 1.586 56.422 54.840 -0.008 0.000 0.775 220 L CB -0.459 41.594 42.059 -0.009 0.000 0.913 220 L HN 0.337 nan 8.230 nan 0.000 0.440 221 D N -1.108 119.298 120.400 0.010 0.000 2.309 221 D HA -0.222 4.419 4.640 0.002 0.000 0.212 221 D C 1.629 177.944 176.300 0.025 0.000 0.968 221 D CA 0.970 54.982 54.000 0.019 0.000 0.882 221 D CB -0.241 40.572 40.800 0.021 0.000 0.918 221 D HN 0.334 nan 8.370 nan 0.000 0.503 222 R N -0.371 120.137 120.500 0.013 0.000 2.468 222 R HA 0.430 4.770 4.340 0.002 0.000 0.280 222 R C 1.325 177.632 176.300 0.011 0.000 0.963 222 R CA 0.389 56.493 56.100 0.007 0.000 1.083 222 R CB 0.722 31.011 30.300 -0.018 0.000 1.200 222 R HN 0.191 nan 8.270 nan 0.000 0.541 223 A N 1.545 124.369 122.820 0.008 0.000 2.014 223 A HA 0.162 4.483 4.320 0.002 0.000 0.210 223 A C -0.851 176.735 177.584 0.003 0.000 1.188 223 A CA 0.167 52.194 52.037 -0.017 0.000 0.731 223 A CB -0.417 18.550 19.000 -0.054 0.000 0.858 223 A HN 0.038 nan 8.150 nan 0.000 0.464 224 P HA -0.200 nan 4.420 nan 0.000 0.216 224 P C 1.533 178.907 177.300 0.124 0.000 1.150 224 P CA 1.049 64.188 63.100 0.066 0.000 0.837 224 P CB -0.230 31.527 31.700 0.094 0.000 0.786 225 W N 0.826 122.141 121.300 0.025 0.000 2.358 225 W HA -0.176 4.485 4.660 0.002 0.000 0.303 225 W C 1.910 178.431 176.519 0.005 0.000 1.208 225 W CA 1.436 58.820 57.345 0.066 0.000 1.274 225 W CB -0.518 29.047 29.460 0.176 0.000 1.138 225 W HN -0.083 nan 8.180 nan 0.000 0.515 226 A N 0.922 123.640 122.820 -0.171 0.000 1.902 226 A HA -0.274 4.047 4.320 0.002 0.000 0.217 226 A C 1.874 179.240 177.584 -0.364 0.000 1.181 226 A CA 2.180 54.019 52.037 -0.330 0.000 0.623 226 A CB -0.995 17.869 19.000 -0.228 0.000 0.818 226 A HN 0.389 nan 8.150 nan 0.000 0.443 227 M N 0.030 119.478 119.600 -0.253 0.000 2.117 227 M HA -0.093 4.388 4.480 0.002 0.000 0.262 227 M C 1.995 178.142 176.300 -0.255 0.000 1.065 227 M CA 2.488 57.647 55.300 -0.235 0.000 1.114 227 M CB -1.094 31.420 32.600 -0.143 0.000 1.361 227 M HN 0.356 nan 8.290 nan 0.000 0.408 228 T N -0.103 114.307 114.554 -0.239 0.000 2.720 228 T HA -0.117 4.234 4.350 0.002 0.000 0.268 228 T C 1.890 176.363 174.700 -0.379 0.000 1.037 228 T CA 1.895 63.852 62.100 -0.238 0.000 1.144 228 T CB -0.456 68.326 68.868 -0.144 0.000 0.864 228 T HN 0.452 nan 8.240 nan 0.000 0.444 229 S N 1.158 116.487 115.700 -0.619 0.000 2.383 229 S HA -0.008 4.463 4.470 0.002 0.000 0.227 229 S C 1.904 176.274 174.600 -0.384 0.000 1.026 229 S CA 0.520 58.401 58.200 -0.531 0.000 0.981 229 S CB -0.431 62.375 63.200 -0.658 0.000 0.818 229 S HN 0.267 nan 8.310 nan 0.000 0.472 230 L N 2.201 123.147 121.223 -0.462 0.000 1.994 230 L HA -0.072 4.269 4.340 0.002 0.000 0.208 230 L C 1.969 178.436 176.870 -0.672 0.000 1.071 230 L CA 1.861 56.341 54.840 -0.601 0.000 0.745 230 L CB -0.620 41.077 42.059 -0.604 0.000 0.892 230 L HN 0.098 nan 8.230 nan 0.000 0.431 231 K N -0.450 119.666 120.400 -0.473 0.000 2.063 231 K HA -0.178 4.143 4.320 0.002 0.000 0.208 231 K C 1.918 178.350 176.600 -0.279 0.000 1.048 231 K CA 1.537 57.591 56.287 -0.388 0.000 0.928 231 K CB -0.465 32.010 32.500 -0.043 0.000 0.713 231 K HN 0.400 nan 8.250 nan 0.000 0.442 232 N N 0.869 119.487 118.700 -0.136 0.000 2.104 232 N HA -0.157 4.584 4.740 0.002 0.000 0.190 232 N C 1.940 177.519 175.510 0.115 0.000 1.024 232 N CA 1.893 54.990 53.050 0.079 0.000 0.853 232 N CB -0.423 38.166 38.487 0.171 0.000 1.008 232 N HN 0.269 nan 8.380 nan 0.000 0.424 233 S N 0.131 115.680 115.700 -0.252 0.000 2.406 233 S HA -0.004 4.467 4.470 0.002 0.000 0.228 233 S C 2.031 176.426 174.600 -0.341 0.000 1.020 233 S CA 0.604 58.481 58.200 -0.538 0.000 0.965 233 S CB -0.231 62.377 63.200 -0.986 0.000 0.798 233 S HN 0.198 nan 8.310 nan 0.000 0.488 234 M N 0.969 120.071 119.600 -0.829 0.000 2.099 234 M HA 0.027 4.508 4.480 0.002 0.000 0.262 234 M C 2.456 178.608 176.300 -0.247 0.000 1.067 234 M CA 1.677 56.427 55.300 -0.916 0.000 1.124 234 M CB -0.340 31.208 32.600 -1.753 0.000 1.353 234 M HN 0.262 nan 8.290 nan 0.000 0.410 235 K N -0.013 120.332 120.400 -0.091 0.000 2.026 235 K HA -0.210 4.111 4.320 0.002 0.000 0.208 235 K C 1.657 178.421 176.600 0.274 0.000 1.048 235 K CA 1.652 58.109 56.287 0.284 0.000 0.929 235 K CB -0.554 32.150 32.500 0.339 0.000 0.713 235 K HN 0.433 nan 8.250 nan 0.000 0.439 236 W N 1.428 122.818 121.300 0.149 0.000 2.358 236 W HA -0.156 4.505 4.660 0.002 0.000 0.303 236 W C 1.624 178.244 176.519 0.169 0.000 1.208 236 W CA 1.880 59.347 57.345 0.203 0.000 1.274 236 W CB -0.431 29.253 29.460 0.374 0.000 1.138 236 W HN 0.187 nan 8.180 nan 0.000 0.515 237 D N 0.199 120.765 120.400 0.278 0.000 2.144 237 D HA -0.201 4.440 4.640 0.002 0.000 0.199 237 D C 1.896 178.184 176.300 -0.021 0.000 0.984 237 D CA 1.682 55.719 54.000 0.061 0.000 0.834 237 D CB -0.226 40.837 40.800 0.439 0.000 0.955 237 D HN 0.377 nan 8.370 nan 0.000 0.465 238 E N 0.160 120.402 120.200 0.071 0.000 2.031 238 E HA -0.176 4.175 4.350 0.002 0.000 0.193 238 E C 2.123 178.696 176.600 -0.044 0.000 0.994 238 E CA 1.023 57.453 56.400 0.049 0.000 0.800 238 E CB -0.026 29.760 29.700 0.142 0.000 0.752 238 E HN 0.441 nan 8.360 nan 0.000 0.447 239 E N 0.187 120.342 120.200 -0.075 0.000 2.047 239 E HA -0.196 4.155 4.350 0.002 0.000 0.191 239 E C 2.218 178.672 176.600 -0.243 0.000 0.987 239 E CA 0.891 57.222 56.400 -0.115 0.000 0.799 239 E CB -0.025 29.640 29.700 -0.058 0.000 0.752 239 E HN -0.040 nan 8.360 nan 0.000 0.449 240 R N 0.027 120.232 120.500 -0.492 0.000 2.066 240 R HA 0.012 4.353 4.340 0.002 0.000 0.224 240 R C 1.371 177.351 176.300 -0.534 0.000 1.122 240 R CA 1.206 56.939 56.100 -0.612 0.000 0.974 240 R CB -0.075 29.538 30.300 -1.145 0.000 0.871 240 R HN 0.093 nan 8.270 nan 0.000 0.435 241 F N -0.969 118.712 119.950 -0.448 0.000 2.704 241 F HA 0.346 4.875 4.527 0.002 0.000 0.304 241 F C 1.189 176.877 175.800 -0.186 0.000 1.094 241 F CA 0.353 58.210 58.000 -0.238 0.000 1.275 241 F CB 1.166 40.041 39.000 -0.208 0.000 1.073 241 F HN 0.288 nan 8.300 nan 0.000 0.586 242 G N 1.778 110.541 108.800 -0.062 0.000 2.198 242 G HA2 -0.300 3.661 3.960 0.002 0.000 0.260 242 G HA3 -0.300 3.661 3.960 0.002 0.000 0.260 242 G C -0.148 174.669 174.900 -0.139 0.000 1.025 242 G CA -0.069 44.984 45.100 -0.078 0.000 0.769 242 G HN 0.279 nan 8.290 nan 0.000 0.507 243 L N 0.023 121.158 121.223 -0.145 0.000 2.296 243 L HA 0.586 4.927 4.340 0.002 0.000 0.286 243 L C 0.402 177.281 176.870 0.017 0.000 1.023 243 L CA -0.750 53.895 54.840 -0.324 0.000 0.812 243 L CB 1.466 43.193 42.059 -0.552 0.000 1.223 243 L HN 0.176 nan 8.230 nan 0.000 0.421 244 E N 1.375 121.651 120.200 0.126 0.000 2.212 244 E HA 0.261 4.612 4.350 0.002 0.000 0.270 244 E C -1.276 175.662 176.600 0.563 0.000 0.956 244 E CA -0.929 55.679 56.400 0.347 0.000 0.825 244 E CB 2.286 32.148 29.700 0.270 0.000 1.167 244 E HN 0.307 nan 8.360 nan 0.000 0.400 245 Y N 2.545 123.095 120.300 0.417 0.000 2.578 245 Y HA -0.067 4.484 4.550 0.001 0.000 0.339 245 Y C 0.808 176.866 175.900 0.263 0.000 1.231 245 Y CA 0.446 58.757 58.100 0.351 0.000 1.461 245 Y CB 0.575 39.267 38.460 0.388 0.000 1.323 245 Y HN 0.535 nan 8.280 nan 0.000 0.590 246 D N 2.695 122.761 120.400 -0.557 0.000 2.500 246 D HA 0.137 4.778 4.640 0.002 0.000 0.217 246 D C -0.324 175.809 176.300 -0.278 0.000 1.159 246 D CA 0.240 54.066 54.000 -0.290 0.000 0.828 246 D CB -0.180 40.413 40.800 -0.345 0.000 1.039 246 D HN 0.415 nan 8.370 nan 0.000 0.512 247 L N -0.067 120.735 121.223 -0.702 0.000 2.211 247 L HA 0.397 4.738 4.340 0.002 0.000 0.259 247 L C 0.631 177.551 176.870 0.084 0.000 1.031 247 L CA -0.866 53.839 54.840 -0.226 0.000 0.877 247 L CB 1.881 43.834 42.059 -0.176 0.000 1.457 247 L HN -0.285 nan 8.230 nan 0.000 0.466 248 D N 0.029 120.545 120.400 0.193 0.000 2.327 248 D HA 0.193 4.834 4.640 0.002 0.000 0.205 248 D C 0.054 176.535 176.300 0.302 0.000 0.989 248 D CA 0.940 55.077 54.000 0.230 0.000 0.873 248 D CB 1.820 42.715 40.800 0.159 0.000 0.955 248 D HN 0.199 nan 8.370 nan 0.000 0.515 249 I N -0.474 120.312 120.570 0.361 0.000 2.769 249 I HA 0.328 4.499 4.170 0.002 0.000 0.298 249 I C -1.952 174.394 176.117 0.382 0.000 1.128 249 I CA -1.034 60.466 61.300 0.333 0.000 1.031 249 I CB 2.876 41.038 38.000 0.269 0.000 1.235 249 I HN -0.265 nan 8.210 nan 0.000 0.423 250 Y N 7.535 127.905 120.300 0.116 0.000 2.363 250 Y HA 0.547 5.098 4.550 0.002 0.000 0.325 250 Y C -0.967 174.909 175.900 -0.040 0.000 0.984 250 Y CA -0.729 57.338 58.100 -0.055 0.000 1.248 250 Y CB 1.421 39.669 38.460 -0.353 0.000 1.116 250 Y HN 0.459 nan 8.280 nan 0.000 0.470 251 M N 6.746 126.291 119.600 -0.091 0.000 2.363 251 M HA 0.547 5.028 4.480 0.002 0.000 0.343 251 M C -1.136 175.117 176.300 -0.079 0.000 1.165 251 M CA -0.445 54.850 55.300 -0.009 0.000 1.046 251 M CB 1.837 34.396 32.600 -0.069 0.000 1.648 251 M HN 0.451 nan 8.290 nan 0.000 0.452 252 I N 2.289 122.846 120.570 -0.021 0.000 2.498 252 I HA 0.512 4.683 4.170 0.002 0.000 0.290 252 I C -1.033 175.005 176.117 -0.132 0.000 1.032 252 I CA -1.032 60.197 61.300 -0.118 0.000 1.073 252 I CB 2.260 40.090 38.000 -0.284 0.000 1.251 252 I HN 0.332 nan 8.210 nan 0.000 0.426 253 V N 4.887 124.693 119.914 -0.180 0.000 2.448 253 V HA 0.585 4.706 4.120 0.002 0.000 0.295 253 V C 0.240 176.249 176.094 -0.142 0.000 1.025 253 V CA -0.664 61.489 62.300 -0.245 0.000 0.859 253 V CB 1.650 33.222 31.823 -0.418 0.000 0.988 253 V HN 0.817 nan 8.190 nan 0.000 0.431 254 A N 5.190 127.947 122.820 -0.105 0.000 2.269 254 A HA 0.754 5.075 4.320 0.002 0.000 0.302 254 A C -0.200 177.404 177.584 0.033 0.000 1.266 254 A CA -0.387 51.633 52.037 -0.028 0.000 0.894 254 A CB 0.659 19.644 19.000 -0.025 0.000 1.147 254 A HN 1.328 nan 8.150 nan 0.000 0.537 255 V N 0.307 120.241 119.914 0.034 0.000 2.715 255 V HA 0.527 4.648 4.120 0.002 0.000 0.310 255 V C -0.029 176.150 176.094 0.142 0.000 1.054 255 V CA -0.693 61.689 62.300 0.137 0.000 0.928 255 V CB 1.895 33.827 31.823 0.181 0.000 1.007 255 V HN 0.665 nan 8.190 nan 0.000 0.437 256 D N 1.976 122.483 120.400 0.178 0.000 2.277 256 D HA 0.127 4.768 4.640 0.002 0.000 0.208 256 D C 0.003 176.197 176.300 -0.176 0.000 0.962 256 D CA 1.488 55.476 54.000 -0.020 0.000 0.865 256 D CB -0.008 40.734 40.800 -0.097 0.000 0.939 256 D HN 0.607 nan 8.370 nan 0.000 0.510 257 F N 0.373 120.450 119.950 0.212 0.000 2.325 257 F HA 0.384 4.912 4.527 0.002 0.000 0.369 257 F C -0.479 175.558 175.800 0.395 0.000 1.095 257 F CA -0.948 57.195 58.000 0.237 0.000 1.082 257 F CB 0.894 40.037 39.000 0.239 0.000 1.289 257 F HN -0.341 nan 8.300 nan 0.000 0.462 258 F N 2.903 122.942 119.950 0.147 0.000 2.622 258 F HA 0.327 4.855 4.527 0.002 0.000 0.318 258 F C 0.356 176.152 175.800 -0.006 0.000 1.135 258 F CA -0.829 57.236 58.000 0.109 0.000 1.015 258 F CB 1.280 40.349 39.000 0.114 0.000 1.275 258 F HN 0.181 nan 8.300 nan 0.000 0.457 259 N N 3.707 122.111 118.700 -0.493 0.000 2.142 259 N HA 0.001 4.742 4.740 0.002 0.000 0.186 259 N C 0.690 176.078 175.510 -0.203 0.000 1.023 259 N CA 1.474 54.322 53.050 -0.337 0.000 0.852 259 N CB 0.119 38.361 38.487 -0.408 0.000 0.998 259 N HN 0.553 nan 8.380 nan 0.000 0.424 260 M N -1.892 117.577 119.600 -0.218 0.000 2.319 260 M HA 0.330 4.811 4.480 0.002 0.000 0.217 260 M C 1.756 178.250 176.300 0.323 0.000 0.694 260 M CA -0.267 55.043 55.300 0.016 0.000 1.838 260 M CB -0.242 32.314 32.600 -0.073 0.000 1.130 260 M HN -0.025 nan 8.290 nan 0.000 0.900 261 G N -0.269 108.717 108.800 0.309 0.000 2.641 261 G HA2 0.534 4.495 3.960 0.002 0.000 0.211 261 G HA3 0.534 4.495 3.960 0.002 0.000 0.211 261 G C -0.002 174.994 174.900 0.159 0.000 1.190 261 G CA 0.727 46.046 45.100 0.364 0.000 0.842 261 G HN 0.771 nan 8.290 nan 0.000 0.585 262 A N -1.704 121.109 122.820 -0.013 0.000 2.564 262 A HA 0.731 5.051 4.320 0.002 0.000 0.291 262 A C -1.836 175.672 177.584 -0.127 0.000 1.102 262 A CA -0.464 51.292 52.037 -0.468 0.000 0.660 262 A CB 1.425 19.538 19.000 -1.479 0.000 1.283 262 A HN 0.550 nan 8.150 nan 0.000 0.430 263 M N 1.157 120.648 119.600 -0.181 0.000 2.271 263 M HA 0.414 4.895 4.480 0.002 0.000 0.285 263 M C -0.032 176.280 176.300 0.019 0.000 1.059 263 M CA -0.290 55.042 55.300 0.055 0.000 0.940 263 M CB 1.965 34.703 32.600 0.231 0.000 1.636 263 M HN 0.736 nan 8.290 nan 0.000 0.460 264 E N 2.745 122.970 120.200 0.043 0.000 2.321 264 E HA 0.055 4.406 4.350 0.002 0.000 0.189 264 E C -0.953 175.608 176.600 -0.065 0.000 1.125 264 E CA -0.077 56.342 56.400 0.032 0.000 1.005 264 E CB -0.780 28.947 29.700 0.045 0.000 1.140 264 E HN 0.702 nan 8.360 nan 0.000 0.457 265 N N 2.332 120.973 118.700 -0.098 0.000 2.292 265 N HA -0.092 4.649 4.740 0.002 0.000 0.258 265 N C 0.077 175.438 175.510 -0.250 0.000 1.261 265 N CA 0.377 53.305 53.050 -0.204 0.000 0.845 265 N CB 0.493 38.833 38.487 -0.244 0.000 1.064 265 N HN 0.122 nan 8.380 nan 0.000 0.471 266 K N 1.389 121.622 120.400 -0.278 0.000 2.437 266 K HA 0.024 4.345 4.320 0.002 0.000 0.277 266 K C 1.172 177.617 176.600 -0.257 0.000 1.073 266 K CA 0.997 57.130 56.287 -0.255 0.000 1.105 266 K CB -0.623 31.728 32.500 -0.249 0.000 0.881 266 K HN 0.728 nan 8.250 nan 0.000 0.475 267 G N 3.059 111.694 108.800 -0.276 0.000 2.189 267 G HA2 -0.272 3.689 3.960 0.002 0.000 0.267 267 G HA3 -0.272 3.689 3.960 0.002 0.000 0.267 267 G C -0.159 174.496 174.900 -0.409 0.000 0.975 267 G CA 0.474 45.403 45.100 -0.284 0.000 0.644 267 G HN 0.633 nan 8.290 nan 0.000 0.537 268 L N 1.296 122.270 121.223 -0.414 0.000 2.448 268 L HA 0.432 4.773 4.340 0.002 0.000 0.257 268 L C -0.091 176.603 176.870 -0.293 0.000 1.504 268 L CA -0.994 53.612 54.840 -0.389 0.000 0.852 268 L CB -0.176 41.599 42.059 -0.474 0.000 1.051 268 L HN 0.264 nan 8.230 nan 0.000 0.518 269 N N 3.079 121.654 118.700 -0.208 0.000 2.492 269 N HA 0.381 5.122 4.740 0.002 0.000 0.262 269 N C -0.705 174.829 175.510 0.040 0.000 1.202 269 N CA 0.045 53.102 53.050 0.013 0.000 0.926 269 N CB 1.064 39.743 38.487 0.319 0.000 1.078 269 N HN 0.389 nan 8.380 nan 0.000 0.454 270 I N 2.599 123.183 120.570 0.024 0.000 2.378 270 I HA 0.340 4.511 4.170 0.002 0.000 0.291 270 I C -0.917 175.062 176.117 -0.229 0.000 0.992 270 I CA -0.520 60.739 61.300 -0.067 0.000 1.154 270 I CB 0.890 38.839 38.000 -0.086 0.000 1.315 270 I HN 0.311 nan 8.210 nan 0.000 0.448 271 F N 4.366 124.020 119.950 -0.494 0.000 2.520 271 F HA 0.347 4.874 4.527 0.001 0.000 0.322 271 F C 0.563 176.013 175.800 -0.583 0.000 1.103 271 F CA -0.912 56.794 58.000 -0.490 0.000 0.926 271 F CB 1.348 40.229 39.000 -0.199 0.000 1.154 271 F HN 0.395 nan 8.300 nan 0.000 0.453 272 N N 1.480 119.881 118.700 -0.499 0.000 2.357 272 N HA -0.091 4.650 4.740 0.002 0.000 0.257 272 N C 0.914 176.430 175.510 0.009 0.000 1.250 272 N CA 0.559 53.543 53.050 -0.109 0.000 0.862 272 N CB 1.052 39.584 38.487 0.075 0.000 1.066 272 N HN 0.619 nan 8.380 nan 0.000 0.468 273 S N 3.310 119.005 115.700 -0.009 0.000 2.440 273 S HA -0.204 4.267 4.470 0.002 0.000 0.238 273 S C 1.649 176.218 174.600 -0.051 0.000 1.010 273 S CA 1.240 59.434 58.200 -0.010 0.000 0.972 273 S CB -0.085 63.106 63.200 -0.016 0.000 0.774 273 S HN 0.796 nan 8.310 nan 0.000 0.501 274 K N 0.201 120.516 120.400 -0.141 0.000 2.209 274 K HA -0.113 4.208 4.320 0.002 0.000 0.204 274 K C 0.469 176.900 176.600 -0.281 0.000 1.048 274 K CA 1.293 57.413 56.287 -0.279 0.000 0.940 274 K CB -0.322 31.910 32.500 -0.445 0.000 0.729 274 K HN 0.361 nan 8.250 nan 0.000 0.451 275 Y N 0.687 121.033 120.300 0.075 0.000 2.625 275 Y HA 0.201 4.752 4.550 0.002 0.000 0.285 275 Y C 1.190 177.193 175.900 0.172 0.000 1.168 275 Y CA -0.557 57.629 58.100 0.144 0.000 1.250 275 Y CB 0.813 39.380 38.460 0.179 0.000 1.130 275 Y HN -0.114 nan 8.280 nan 0.000 0.526 276 V N -1.756 118.255 119.914 0.162 0.000 3.102 276 V HA 0.117 4.238 4.120 0.002 0.000 0.225 276 V C 0.453 176.546 176.094 -0.002 0.000 1.301 276 V CA -0.108 62.206 62.300 0.024 0.000 1.308 276 V CB 0.399 32.184 31.823 -0.063 0.000 1.129 276 V HN -0.073 nan 8.190 nan 0.000 0.502 277 L N 1.875 123.082 121.223 -0.027 0.000 2.313 277 L HA 0.717 5.058 4.340 0.002 0.000 0.282 277 L C -0.183 176.623 176.870 -0.108 0.000 1.092 277 L CA 0.086 54.894 54.840 -0.054 0.000 0.831 277 L CB 0.893 42.919 42.059 -0.054 0.000 1.159 277 L HN 0.322 nan 8.230 nan 0.000 0.442 278 A N 4.745 127.491 122.820 -0.123 0.000 2.488 278 A HA 0.797 5.118 4.320 0.002 0.000 0.295 278 A C -0.940 176.555 177.584 -0.148 0.000 1.045 278 A CA -0.638 51.226 52.037 -0.288 0.000 0.703 278 A CB 1.784 20.381 19.000 -0.671 0.000 1.271 278 A HN 0.749 nan 8.150 nan 0.000 0.400 279 R N 0.274 120.703 120.500 -0.117 0.000 2.808 279 R HA 0.554 4.895 4.340 0.002 0.000 0.272 279 R C 1.380 177.713 176.300 0.055 0.000 0.995 279 R CA 0.152 56.265 56.100 0.021 0.000 0.917 279 R CB 1.805 32.104 30.300 -0.002 0.000 1.217 279 R HN 0.906 nan 8.270 nan 0.000 0.471 280 T N -2.271 112.337 114.554 0.089 0.000 2.881 280 T HA -0.147 4.204 4.350 0.002 0.000 0.270 280 T C 1.033 175.631 174.700 -0.171 0.000 1.068 280 T CA 1.599 63.671 62.100 -0.046 0.000 1.131 280 T CB -0.170 68.606 68.868 -0.153 0.000 0.871 280 T HN 0.719 nan 8.240 nan 0.000 0.479 281 D N 1.453 121.799 120.400 -0.091 0.000 2.349 281 D HA -0.024 4.617 4.640 0.002 0.000 0.215 281 D C 1.826 178.005 176.300 -0.202 0.000 1.016 281 D CA 1.079 55.040 54.000 -0.064 0.000 0.870 281 D CB -0.437 40.422 40.800 0.099 0.000 0.917 281 D HN 0.647 nan 8.370 nan 0.000 0.524 282 T N -3.350 111.040 114.554 -0.273 0.000 2.969 282 T HA 0.529 4.880 4.350 0.002 0.000 0.250 282 T C 0.753 175.250 174.700 -0.338 0.000 1.021 282 T CA 0.106 61.919 62.100 -0.480 0.000 1.003 282 T CB 0.423 69.048 68.868 -0.405 0.000 1.040 282 T HN 0.218 nan 8.240 nan 0.000 0.492 283 A N 2.007 124.694 122.820 -0.223 0.000 2.386 283 A HA 0.733 5.054 4.320 0.002 0.000 0.311 283 A C 0.294 177.850 177.584 -0.047 0.000 1.068 283 A CA -0.630 51.291 52.037 -0.194 0.000 0.743 283 A CB 1.378 20.138 19.000 -0.399 0.000 1.258 283 A HN 0.471 nan 8.150 nan 0.000 0.429 284 T N -0.876 113.669 114.554 -0.014 0.000 2.847 284 T HA 0.302 4.653 4.350 0.002 0.000 0.279 284 T C 0.370 175.194 174.700 0.207 0.000 0.984 284 T CA -0.085 62.056 62.100 0.068 0.000 0.988 284 T CB 0.601 69.490 68.868 0.035 0.000 1.040 284 T HN 0.467 nan 8.240 nan 0.000 0.528 285 D N 0.114 120.619 120.400 0.175 0.000 2.116 285 D HA -0.160 4.481 4.640 0.002 0.000 0.193 285 D C 1.964 178.334 176.300 0.117 0.000 0.998 285 D CA 1.252 55.327 54.000 0.124 0.000 0.836 285 D CB -0.167 40.655 40.800 0.037 0.000 0.951 285 D HN 0.632 nan 8.370 nan 0.000 0.449 286 K N 1.146 121.599 120.400 0.088 0.000 2.020 286 K HA -0.199 4.122 4.320 0.002 0.000 0.212 286 K C 1.357 178.021 176.600 0.107 0.000 1.050 286 K CA 1.560 57.896 56.287 0.081 0.000 0.929 286 K CB -0.279 32.255 32.500 0.056 0.000 0.714 286 K HN 0.045 nan 8.250 nan 0.000 0.443 287 D N -0.255 120.193 120.400 0.079 0.000 2.123 287 D HA -0.168 4.473 4.640 0.002 0.000 0.196 287 D C 2.081 178.420 176.300 0.067 0.000 0.992 287 D CA 1.256 55.278 54.000 0.036 0.000 0.833 287 D CB -0.519 40.226 40.800 -0.091 0.000 0.954 287 D HN 0.309 nan 8.370 nan 0.000 0.455 288 Y N 0.991 121.288 120.300 -0.004 0.000 2.145 288 Y HA -0.118 4.433 4.550 0.002 0.000 0.286 288 Y C 2.567 178.634 175.900 0.279 0.000 1.145 288 Y CA 0.807 58.871 58.100 -0.060 0.000 1.148 288 Y CB -0.402 37.718 38.460 -0.567 0.000 0.981 288 Y HN -0.059 nan 8.280 nan 0.000 0.507 289 L N -0.701 120.704 121.223 0.302 0.000 2.141 289 L HA -0.195 4.146 4.340 0.002 0.000 0.209 289 L C 1.787 178.799 176.870 0.235 0.000 1.094 289 L CA 1.020 56.017 54.840 0.263 0.000 0.763 289 L CB -0.447 41.702 42.059 0.150 0.000 0.908 289 L HN 0.185 nan 8.230 nan 0.000 0.437 290 D N 0.446 120.982 120.400 0.227 0.000 2.117 290 D HA -0.116 4.525 4.640 0.002 0.000 0.198 290 D C 2.300 178.758 176.300 0.262 0.000 0.982 290 D CA 1.173 55.309 54.000 0.225 0.000 0.828 290 D CB -0.017 40.975 40.800 0.320 0.000 0.967 290 D HN 0.271 nan 8.370 nan 0.000 0.464 291 I N 1.121 121.904 120.570 0.354 0.000 2.163 291 I HA -0.258 3.913 4.170 0.002 0.000 0.243 291 I C 2.482 178.735 176.117 0.225 0.000 1.085 291 I CA 1.200 62.703 61.300 0.339 0.000 1.347 291 I CB -0.213 38.011 38.000 0.373 0.000 1.044 291 I HN 0.031 nan 8.210 nan 0.000 0.408 292 E N 1.728 122.106 120.200 0.297 0.000 2.058 292 E HA -0.302 4.049 4.350 0.002 0.000 0.194 292 E C 2.386 179.124 176.600 0.231 0.000 0.997 292 E CA 1.608 58.118 56.400 0.182 0.000 0.801 292 E CB -0.110 29.741 29.700 0.251 0.000 0.746 292 E HN 0.492 nan 8.360 nan 0.000 0.450 293 R N 0.124 120.734 120.500 0.184 0.000 2.115 293 R HA -0.063 4.278 4.340 0.002 0.000 0.230 293 R C 2.026 178.388 176.300 0.103 0.000 1.111 293 R CA 1.439 57.641 56.100 0.169 0.000 0.976 293 R CB -0.252 30.105 30.300 0.095 0.000 0.870 293 R HN 0.103 nan 8.270 nan 0.000 0.445 294 V N 1.360 121.281 119.914 0.011 0.000 2.446 294 V HA -0.117 4.004 4.120 0.002 0.000 0.244 294 V C 2.545 178.724 176.094 0.141 0.000 1.039 294 V CA 0.887 63.144 62.300 -0.072 0.000 1.045 294 V CB -0.247 31.314 31.823 -0.436 0.000 0.681 294 V HN 0.243 nan 8.190 nan 0.000 0.459 295 I N 1.366 122.066 120.570 0.217 0.000 2.118 295 I HA -0.234 3.937 4.170 0.002 0.000 0.241 295 I C 2.615 178.654 176.117 -0.129 0.000 1.070 295 I CA 2.319 63.699 61.300 0.134 0.000 1.327 295 I CB -1.649 36.281 38.000 -0.116 0.000 1.034 295 I HN 0.416 nan 8.210 nan 0.000 0.405 296 G N -0.523 108.103 108.800 -0.289 0.000 2.433 296 G HA2 -0.330 3.631 3.960 0.002 0.000 0.216 296 G HA3 -0.330 3.631 3.960 0.002 0.000 0.216 296 G C 1.574 175.787 174.900 -1.146 0.000 1.186 296 G CA 1.323 45.812 45.100 -1.018 0.000 0.779 296 G HN 0.443 nan 8.290 nan 0.000 0.543 297 H N 0.898 119.724 119.070 -0.407 0.000 2.267 297 H HA -0.139 4.418 4.556 0.002 0.000 0.291 297 H C 2.571 177.810 175.328 -0.149 0.000 1.094 297 H CA 2.385 58.335 56.048 -0.164 0.000 1.227 297 H CB 0.146 29.883 29.762 -0.042 0.000 1.351 297 H HN 0.268 nan 8.280 nan 0.000 0.483 298 E N -0.455 119.808 120.200 0.104 0.000 2.110 298 E HA -0.197 4.154 4.350 0.002 0.000 0.193 298 E C 2.146 178.815 176.600 0.116 0.000 0.988 298 E CA 1.040 57.567 56.400 0.212 0.000 0.804 298 E CB -0.764 29.087 29.700 0.251 0.000 0.745 298 E HN 0.640 nan 8.360 nan 0.000 0.458 299 Y N 0.979 121.181 120.300 -0.164 0.000 2.145 299 Y HA -0.237 4.314 4.550 0.001 0.000 0.286 299 Y C 1.964 177.809 175.900 -0.092 0.000 1.145 299 Y CA 1.403 59.374 58.100 -0.216 0.000 1.148 299 Y CB -0.382 37.723 38.460 -0.592 0.000 0.981 299 Y HN -0.118 nan 8.280 nan 0.000 0.507 300 F N -0.577 119.280 119.950 -0.154 0.000 2.216 300 F HA -0.207 4.321 4.527 0.002 0.000 0.300 300 F C 2.512 178.206 175.800 -0.177 0.000 1.085 300 F CA 1.349 59.230 58.000 -0.198 0.000 1.326 300 F CB -1.389 37.504 39.000 -0.178 0.000 1.027 300 F HN 0.232 nan 8.300 nan 0.000 0.497 301 H N -0.116 118.936 119.070 -0.030 0.000 2.489 301 H HA -0.139 4.418 4.556 0.002 0.000 0.293 301 H C 2.031 177.323 175.328 -0.061 0.000 1.066 301 H CA 1.154 57.189 56.048 -0.020 0.000 1.305 301 H CB -0.600 29.154 29.762 -0.015 0.000 1.386 301 H HN 0.241 nan 8.280 nan 0.000 0.551 302 N N 0.034 118.705 118.700 -0.048 0.000 2.091 302 N HA -0.203 4.538 4.740 0.002 0.000 0.193 302 N C 1.593 176.851 175.510 -0.420 0.000 1.021 302 N CA 1.734 54.638 53.050 -0.243 0.000 0.862 302 N CB -0.167 38.141 38.487 -0.298 0.000 1.018 302 N HN 0.286 nan 8.380 nan 0.000 0.429 303 W N -0.398 120.833 121.300 -0.115 0.000 2.601 303 W HA 0.209 4.870 4.660 0.002 0.000 0.292 303 W C 0.787 177.422 176.519 0.195 0.000 1.153 303 W CA 0.839 58.124 57.345 -0.101 0.000 1.448 303 W CB -0.667 28.605 29.460 -0.313 0.000 1.113 303 W HN -0.034 nan 8.180 nan 0.000 0.548 304 T N -1.196 113.627 114.554 0.448 0.000 3.579 304 T HA 0.631 4.982 4.350 0.002 0.000 0.328 304 T C 0.628 175.556 174.700 0.379 0.000 1.481 304 T CA 0.244 62.604 62.100 0.434 0.000 1.144 304 T CB 0.056 69.102 68.868 0.297 0.000 1.205 304 T HN 0.344 nan 8.240 nan 0.000 0.812 305 G N 3.215 112.206 108.800 0.319 0.000 3.675 305 G HA2 -0.185 3.776 3.960 0.002 0.000 0.206 305 G HA3 -0.185 3.776 3.960 0.002 0.000 0.206 305 G C 0.804 175.783 174.900 0.131 0.000 1.086 305 G CA -0.126 45.135 45.100 0.267 0.000 0.894 305 G HN 0.494 nan 8.290 nan 0.000 0.412 306 N N 0.509 119.218 118.700 0.016 0.000 2.413 306 N HA 0.168 4.908 4.740 0.002 0.000 0.193 306 N C 2.062 177.448 175.510 -0.206 0.000 1.043 306 N CA 0.667 53.629 53.050 -0.147 0.000 0.910 306 N CB -0.316 38.019 38.487 -0.253 0.000 1.111 306 N HN 0.073 nan 8.380 nan 0.000 0.452 307 R N 0.622 120.917 120.500 -0.342 0.000 2.096 307 R HA 0.075 4.416 4.340 0.002 0.000 0.235 307 R C -0.068 176.203 176.300 -0.049 0.000 1.127 307 R CA 0.523 56.398 56.100 -0.376 0.000 0.968 307 R CB -0.393 29.397 30.300 -0.850 0.000 0.861 307 R HN 0.103 nan 8.270 nan 0.000 0.440 308 V N 0.897 120.870 119.914 0.099 0.000 2.444 308 V HA 0.215 4.336 4.120 0.002 0.000 0.294 308 V C 0.349 176.521 176.094 0.130 0.000 1.022 308 V CA -0.486 61.886 62.300 0.120 0.000 0.850 308 V CB 1.892 33.765 31.823 0.084 0.000 0.992 308 V HN 0.099 nan 8.190 nan 0.000 0.426 309 T N 3.499 118.104 114.554 0.085 0.000 2.864 309 T HA 0.418 4.769 4.350 0.002 0.000 0.276 309 T C -0.284 174.446 174.700 0.049 0.000 1.006 309 T CA -0.296 61.864 62.100 0.100 0.000 0.970 309 T CB 1.324 70.252 68.868 0.100 0.000 1.420 309 T HN 0.698 nan 8.240 nan 0.000 0.601 310 C N 2.280 121.569 119.300 -0.019 0.000 2.319 310 C HA 0.495 4.955 4.460 0.002 0.000 0.335 310 C C 2.000 176.867 174.990 -0.204 0.000 1.274 310 C CA -0.685 58.246 59.018 -0.145 0.000 1.806 310 C CB 0.419 27.978 27.740 -0.302 0.000 2.329 310 C HN 1.037 nan 8.230 nan 0.000 0.524 311 R N 1.426 121.819 120.500 -0.179 0.000 2.105 311 R HA -0.108 4.233 4.340 0.002 0.000 0.239 311 R C 0.040 176.201 176.300 -0.231 0.000 1.135 311 R CA 2.112 58.093 56.100 -0.199 0.000 0.967 311 R CB 0.135 30.259 30.300 -0.293 0.000 0.861 311 R HN 1.005 nan 8.270 nan 0.000 0.442 312 D N -5.010 115.217 120.400 -0.288 0.000 2.692 312 D HA 0.050 4.691 4.640 0.002 0.000 0.290 312 D C -0.401 175.697 176.300 -0.336 0.000 1.281 312 D CA -0.795 53.056 54.000 -0.247 0.000 0.804 312 D CB -0.512 40.331 40.800 0.073 0.000 1.331 312 D HN -0.041 nan 8.370 nan 0.000 0.432 313 W N -0.921 120.300 121.300 -0.132 0.000 2.678 313 W HA 0.145 4.806 4.660 0.002 0.000 0.256 313 W C 1.155 177.468 176.519 -0.343 0.000 1.280 313 W CA -0.408 56.769 57.345 -0.281 0.000 1.345 313 W CB -0.197 29.061 29.460 -0.336 0.000 1.118 313 W HN 0.291 nan 8.180 nan 0.000 0.629 314 F N 0.348 120.349 119.950 0.085 0.000 2.365 314 F HA -0.177 4.351 4.527 0.001 0.000 0.300 314 F C 2.129 177.944 175.800 0.026 0.000 1.090 314 F CA 0.861 58.871 58.000 0.017 0.000 1.408 314 F CB -0.734 38.261 39.000 -0.009 0.000 1.060 314 F HN -0.094 nan 8.300 nan 0.000 0.534 315 Q N 0.400 120.280 119.800 0.134 0.000 2.373 315 Q HA 0.038 4.379 4.340 0.002 0.000 0.206 315 Q C 2.102 178.135 176.000 0.055 0.000 0.942 315 Q CA 0.083 55.925 55.803 0.066 0.000 0.953 315 Q CB -0.536 28.188 28.738 -0.022 0.000 1.022 315 Q HN 0.411 nan 8.270 nan 0.000 0.502 316 L N 0.822 122.094 121.223 0.083 0.000 2.021 316 L HA -0.239 4.102 4.340 0.002 0.000 0.215 316 L C 2.190 179.068 176.870 0.013 0.000 1.074 316 L CA 2.070 56.950 54.840 0.068 0.000 0.760 316 L CB -0.999 41.051 42.059 -0.015 0.000 0.889 316 L HN 0.154 nan 8.230 nan 0.000 0.433 317 S N -1.345 114.375 115.700 0.034 0.000 2.419 317 S HA -0.170 4.301 4.470 0.002 0.000 0.233 317 S C 1.968 176.566 174.600 -0.004 0.000 1.016 317 S CA 1.151 59.358 58.200 0.013 0.000 0.974 317 S CB -0.569 62.675 63.200 0.072 0.000 0.786 317 S HN 0.464 nan 8.310 nan 0.000 0.492 318 L N 2.443 123.675 121.223 0.016 0.000 2.051 318 L HA -0.208 4.133 4.340 0.002 0.000 0.214 318 L C 2.168 178.979 176.870 -0.100 0.000 1.076 318 L CA 2.556 57.350 54.840 -0.076 0.000 0.758 318 L CB -0.620 41.424 42.059 -0.025 0.000 0.890 318 L HN 0.496 nan 8.230 nan 0.000 0.433 319 K N -2.580 117.827 120.400 0.011 0.000 2.202 319 K HA 0.016 4.337 4.320 0.002 0.000 0.201 319 K C 1.720 178.364 176.600 0.072 0.000 1.051 319 K CA 0.618 56.967 56.287 0.102 0.000 0.977 319 K CB -0.327 32.314 32.500 0.235 0.000 0.792 319 K HN 0.200 nan 8.250 nan 0.000 0.469 320 E N 1.417 121.600 120.200 -0.028 0.000 2.076 320 E HA -0.035 4.316 4.350 0.002 0.000 0.190 320 E C 2.267 178.768 176.600 -0.165 0.000 0.979 320 E CA 1.360 57.626 56.400 -0.223 0.000 0.807 320 E CB -0.441 28.804 29.700 -0.759 0.000 0.761 320 E HN 0.531 nan 8.360 nan 0.000 0.454 321 G N 1.803 110.540 108.800 -0.106 0.000 2.421 321 G HA2 -0.241 3.720 3.960 0.002 0.000 0.216 321 G HA3 -0.241 3.720 3.960 0.002 0.000 0.216 321 G C 1.599 176.505 174.900 0.010 0.000 1.171 321 G CA 0.817 45.900 45.100 -0.029 0.000 0.775 321 G HN 0.215 nan 8.290 nan 0.000 0.543 322 L N 0.989 122.166 121.223 -0.077 0.000 2.046 322 L HA 0.026 4.367 4.340 0.002 0.000 0.208 322 L C 2.851 179.754 176.870 0.055 0.000 1.077 322 L CA 2.500 57.312 54.840 -0.047 0.000 0.747 322 L CB -0.964 40.933 42.059 -0.270 0.000 0.896 322 L HN 0.200 nan 8.230 nan 0.000 0.432 323 T N -1.466 113.044 114.554 -0.072 0.000 2.857 323 T HA -0.087 4.264 4.350 0.002 0.000 0.266 323 T C 2.009 176.678 174.700 -0.052 0.000 1.048 323 T CA 1.284 63.244 62.100 -0.234 0.000 1.139 323 T CB -0.254 68.104 68.868 -0.850 0.000 0.874 323 T HN 0.164 nan 8.240 nan 0.000 0.455 324 V N 1.430 121.426 119.914 0.137 0.000 2.295 324 V HA -0.149 3.972 4.120 0.002 0.000 0.246 324 V C 2.005 178.228 176.094 0.215 0.000 1.049 324 V CA 1.657 64.126 62.300 0.283 0.000 1.024 324 V CB -0.760 31.235 31.823 0.286 0.000 0.648 324 V HN 0.439 nan 8.190 nan 0.000 0.447 325 F N 1.322 121.309 119.950 0.063 0.000 2.091 325 F HA -0.242 4.285 4.527 0.001 0.000 0.299 325 F C 2.538 178.380 175.800 0.070 0.000 1.103 325 F CA 1.971 60.002 58.000 0.052 0.000 1.228 325 F CB -0.291 38.745 39.000 0.061 0.000 0.984 325 F HN -0.020 nan 8.300 nan 0.000 0.477 326 R N 0.329 120.864 120.500 0.059 0.000 2.073 326 R HA -0.187 4.154 4.340 0.002 0.000 0.234 326 R C 2.044 178.247 176.300 -0.160 0.000 1.134 326 R CA 1.816 57.850 56.100 -0.110 0.000 0.952 326 R CB -0.885 29.270 30.300 -0.241 0.000 0.850 326 R HN 0.558 nan 8.270 nan 0.000 0.433 327 D N 0.125 120.609 120.400 0.141 0.000 2.178 327 D HA -0.206 4.435 4.640 0.002 0.000 0.201 327 D C 1.618 177.964 176.300 0.076 0.000 0.980 327 D CA 1.332 55.509 54.000 0.296 0.000 0.842 327 D CB -0.171 40.869 40.800 0.400 0.000 0.948 327 D HN 0.278 nan 8.370 nan 0.000 0.472 328 Q N -0.422 119.352 119.800 -0.042 0.000 2.079 328 Q HA -0.105 4.236 4.340 0.002 0.000 0.200 328 Q C 2.034 177.884 176.000 -0.251 0.000 0.974 328 Q CA 1.141 56.866 55.803 -0.130 0.000 0.840 328 Q CB 0.007 28.672 28.738 -0.121 0.000 0.898 328 Q HN 0.325 nan 8.270 nan 0.000 0.430 329 E N 0.308 120.290 120.200 -0.363 0.000 2.110 329 E HA -0.163 4.188 4.350 0.002 0.000 0.193 329 E C 1.682 178.089 176.600 -0.322 0.000 0.988 329 E CA 0.721 56.944 56.400 -0.295 0.000 0.804 329 E CB -0.260 29.309 29.700 -0.219 0.000 0.745 329 E HN 0.263 nan 8.360 nan 0.000 0.458 330 F N 2.051 121.394 119.950 -1.012 0.000 2.051 330 F HA -0.205 4.323 4.527 0.001 0.000 0.296 330 F C 2.438 177.838 175.800 -0.666 0.000 1.122 330 F CA 1.695 58.774 58.000 -1.535 0.000 1.201 330 F CB -0.667 37.563 39.000 -1.283 0.000 0.978 330 F HN -0.126 nan 8.300 nan 0.000 0.472 331 S N 0.016 115.384 115.700 -0.554 0.000 2.359 331 S HA -0.211 4.260 4.470 0.002 0.000 0.224 331 S C 2.201 176.567 174.600 -0.390 0.000 1.035 331 S CA 1.597 59.505 58.200 -0.485 0.000 1.018 331 S CB -0.678 62.388 63.200 -0.223 0.000 0.876 331 S HN 0.481 nan 8.310 nan 0.000 0.448 332 S N 1.480 117.001 115.700 -0.298 0.000 2.368 332 S HA -0.117 4.354 4.470 0.002 0.000 0.225 332 S C 1.558 176.029 174.600 -0.214 0.000 1.030 332 S CA 1.197 59.259 58.200 -0.229 0.000 0.999 332 S CB -0.480 62.611 63.200 -0.182 0.000 0.844 332 S HN 0.437 nan 8.310 nan 0.000 0.459 333 D N 1.164 121.449 120.400 -0.191 0.000 2.097 333 D HA -0.018 4.623 4.640 0.002 0.000 0.195 333 D C 1.785 177.991 176.300 -0.157 0.000 0.989 333 D CA 0.808 54.764 54.000 -0.073 0.000 0.827 333 D CB -0.306 40.602 40.800 0.180 0.000 0.966 333 D HN 0.185 nan 8.370 nan 0.000 0.456 334 L N -0.133 120.902 121.223 -0.314 0.000 2.156 334 L HA 0.133 4.474 4.340 0.002 0.000 0.208 334 L C 1.725 178.282 176.870 -0.522 0.000 1.095 334 L CA 1.035 55.684 54.840 -0.319 0.000 0.770 334 L CB -0.591 41.226 42.059 -0.403 0.000 0.914 334 L HN -0.006 nan 8.230 nan 0.000 0.439 335 G N -2.573 105.821 108.800 -0.677 0.000 3.194 335 G HA2 0.288 4.249 3.960 0.002 0.000 0.160 335 G HA3 0.288 4.249 3.960 0.002 0.000 0.160 335 G C -0.681 173.918 174.900 -0.502 0.000 1.267 335 G CA -0.022 44.411 45.100 -1.113 0.000 0.962 335 G HN -0.030 nan 8.290 nan 0.000 0.612 336 S N -0.532 114.975 115.700 -0.322 0.000 2.416 336 S HA 0.201 4.672 4.470 0.002 0.000 0.287 336 S C 1.486 175.998 174.600 -0.148 0.000 1.139 336 S CA -0.281 57.819 58.200 -0.167 0.000 1.058 336 S CB 0.931 64.074 63.200 -0.095 0.000 0.967 336 S HN 0.582 nan 8.310 nan 0.000 0.495 337 R N 4.434 124.860 120.500 -0.125 0.000 2.091 337 R HA -0.122 4.219 4.340 0.002 0.000 0.238 337 R C 2.163 178.417 176.300 -0.077 0.000 1.136 337 R CA 1.943 57.981 56.100 -0.105 0.000 0.959 337 R CB -0.700 29.552 30.300 -0.081 0.000 0.856 337 R HN 0.770 nan 8.270 nan 0.000 0.437 338 A N 0.190 122.981 122.820 -0.048 0.000 1.883 338 A HA -0.126 4.195 4.320 0.002 0.000 0.217 338 A C 2.292 179.835 177.584 -0.068 0.000 1.186 338 A CA 1.782 53.812 52.037 -0.011 0.000 0.624 338 A CB -0.662 18.342 19.000 0.005 0.000 0.822 338 A HN 0.242 nan 8.150 nan 0.000 0.444 339 V N 1.047 120.901 119.914 -0.101 0.000 2.343 339 V HA -0.274 3.847 4.120 0.002 0.000 0.247 339 V C 2.339 178.344 176.094 -0.149 0.000 1.051 339 V CA 2.056 64.271 62.300 -0.142 0.000 1.036 339 V CB -0.978 30.785 31.823 -0.100 0.000 0.654 339 V HN 0.573 nan 8.190 nan 0.000 0.451 340 N N 0.232 118.859 118.700 -0.121 0.000 2.069 340 N HA -0.235 4.506 4.740 0.002 0.000 0.191 340 N C 2.073 177.512 175.510 -0.119 0.000 1.031 340 N CA 1.773 54.752 53.050 -0.117 0.000 0.852 340 N CB -0.279 38.133 38.487 -0.125 0.000 1.018 340 N HN 0.301 nan 8.380 nan 0.000 0.423 341 R N 1.461 121.898 120.500 -0.105 0.000 2.073 341 R HA 0.080 4.421 4.340 0.002 0.000 0.234 341 R C 2.254 178.510 176.300 -0.072 0.000 1.134 341 R CA 0.853 56.893 56.100 -0.100 0.000 0.952 341 R CB -0.732 29.497 30.300 -0.118 0.000 0.850 341 R HN 0.225 nan 8.270 nan 0.000 0.433 342 I N 0.847 121.348 120.570 -0.115 0.000 2.118 342 I HA -0.373 3.798 4.170 0.002 0.000 0.241 342 I C 1.746 177.568 176.117 -0.492 0.000 1.070 342 I CA 1.682 62.664 61.300 -0.529 0.000 1.327 342 I CB -0.455 36.941 38.000 -1.007 0.000 1.034 342 I HN 0.260 nan 8.210 nan 0.000 0.405 343 N N 0.866 119.374 118.700 -0.320 0.000 2.188 343 N HA -0.141 4.600 4.740 0.002 0.000 0.184 343 N C 1.531 176.958 175.510 -0.138 0.000 1.018 343 N CA 1.145 54.072 53.050 -0.205 0.000 0.858 343 N CB -0.570 37.835 38.487 -0.137 0.000 0.989 343 N HN 0.393 nan 8.380 nan 0.000 0.426 344 N N 0.583 119.212 118.700 -0.119 0.000 2.244 344 N HA -0.062 4.678 4.740 0.002 0.000 0.183 344 N C 1.843 177.282 175.510 -0.118 0.000 1.016 344 N CA 0.446 53.448 53.050 -0.080 0.000 0.866 344 N CB -0.351 38.108 38.487 -0.047 0.000 0.980 344 N HN 0.053 nan 8.380 nan 0.000 0.430 345 V N 1.703 121.515 119.914 -0.170 0.000 2.358 345 V HA -0.160 3.961 4.120 0.002 0.000 0.246 345 V C 2.301 178.239 176.094 -0.261 0.000 1.047 345 V CA 1.338 63.447 62.300 -0.319 0.000 1.035 345 V CB -0.372 31.328 31.823 -0.205 0.000 0.658 345 V HN 0.247 nan 8.190 nan 0.000 0.452 346 R N -0.162 120.267 120.500 -0.118 0.000 2.103 346 R HA -0.179 4.162 4.340 0.002 0.000 0.242 346 R C 2.369 178.612 176.300 -0.095 0.000 1.142 346 R CA 2.047 58.123 56.100 -0.040 0.000 0.960 346 R CB -0.808 29.490 30.300 -0.003 0.000 0.858 346 R HN 0.492 nan 8.270 nan 0.000 0.439 347 T N 0.872 115.367 114.554 -0.098 0.000 2.777 347 T HA -0.089 4.262 4.350 0.002 0.000 0.266 347 T C 1.856 176.494 174.700 -0.102 0.000 1.040 347 T CA 1.023 63.082 62.100 -0.070 0.000 1.141 347 T CB -0.022 68.825 68.868 -0.035 0.000 0.868 347 T HN 0.068 nan 8.240 nan 0.000 0.444 348 M N 1.106 120.608 119.600 -0.162 0.000 2.067 348 M HA 0.001 4.482 4.480 0.002 0.000 0.260 348 M C 2.320 178.274 176.300 -0.577 0.000 1.069 348 M CA 1.648 56.821 55.300 -0.211 0.000 1.117 348 M CB -0.913 31.614 32.600 -0.123 0.000 1.334 348 M HN 0.169 nan 8.290 nan 0.000 0.407 349 R N -1.014 119.039 120.500 -0.745 0.000 2.153 349 R HA 0.018 4.359 4.340 0.002 0.000 0.218 349 R C 2.163 178.238 176.300 -0.375 0.000 1.072 349 R CA 1.121 56.620 56.100 -1.002 0.000 0.990 349 R CB -0.356 29.591 30.300 -0.589 0.000 0.889 349 R HN 0.476 nan 8.270 nan 0.000 0.452 350 G N -0.273 108.413 108.800 -0.190 0.000 2.656 350 G HA2 0.038 3.999 3.960 0.002 0.000 0.211 350 G HA3 0.038 3.999 3.960 0.002 0.000 0.211 350 G C 1.241 176.147 174.900 0.010 0.000 1.137 350 G CA -0.056 45.018 45.100 -0.043 0.000 0.802 350 G HN 0.069 nan 8.290 nan 0.000 0.527 351 L N -1.389 119.833 121.223 -0.001 0.000 2.641 351 L HA 0.238 4.579 4.340 0.002 0.000 0.207 351 L C 2.479 179.399 176.870 0.084 0.000 1.049 351 L CA 0.088 54.954 54.840 0.043 0.000 0.866 351 L CB -0.232 41.842 42.059 0.025 0.000 1.264 351 L HN 0.004 nan 8.230 nan 0.000 0.483 352 Q N 0.502 120.352 119.800 0.084 0.000 2.079 352 Q HA -0.140 4.201 4.340 0.002 0.000 0.200 352 Q C 2.248 178.430 176.000 0.304 0.000 0.974 352 Q CA 1.803 57.706 55.803 0.166 0.000 0.840 352 Q CB -0.012 28.829 28.738 0.173 0.000 0.898 352 Q HN 0.290 nan 8.270 nan 0.000 0.430 353 F N 0.707 120.713 119.950 0.094 0.000 2.161 353 F HA -0.154 4.374 4.527 0.001 0.000 0.300 353 F C 2.503 178.349 175.800 0.076 0.000 1.089 353 F CA 0.907 58.965 58.000 0.098 0.000 1.282 353 F CB -1.345 37.723 39.000 0.113 0.000 1.010 353 F HN 0.151 nan 8.300 nan 0.000 0.485 354 A N -0.380 122.599 122.820 0.265 0.000 1.902 354 A HA -0.240 4.081 4.320 0.002 0.000 0.217 354 A C 2.249 179.914 177.584 0.135 0.000 1.181 354 A CA 1.758 53.896 52.037 0.169 0.000 0.623 354 A CB -0.909 18.175 19.000 0.140 0.000 0.818 354 A HN 0.428 nan 8.150 nan 0.000 0.443 355 E N -0.450 119.827 120.200 0.130 0.000 2.077 355 E HA -0.244 4.107 4.350 0.002 0.000 0.193 355 E C 1.180 177.831 176.600 0.085 0.000 0.989 355 E CA 1.302 57.763 56.400 0.102 0.000 0.800 355 E CB -0.174 29.581 29.700 0.092 0.000 0.746 355 E HN 0.450 nan 8.360 nan 0.000 0.452 356 D N -0.687 119.767 120.400 0.089 0.000 2.350 356 D HA -0.039 4.602 4.640 0.002 0.000 0.216 356 D C 0.901 177.229 176.300 0.047 0.000 0.968 356 D CA 0.831 54.861 54.000 0.050 0.000 0.894 356 D CB 0.223 41.052 40.800 0.048 0.000 0.909 356 D HN 0.276 nan 8.370 nan 0.000 0.520 357 A N -0.188 122.671 122.820 0.066 0.000 2.348 357 A HA 0.223 4.544 4.320 0.002 0.000 0.224 357 A C 0.998 178.621 177.584 0.064 0.000 1.227 357 A CA -0.067 52.003 52.037 0.055 0.000 0.885 357 A CB 0.135 19.171 19.000 0.059 0.000 0.933 357 A HN 0.170 nan 8.150 nan 0.000 0.506 358 S N -1.207 114.538 115.700 0.076 0.000 2.747 358 S HA 0.559 5.030 4.470 0.002 0.000 0.300 358 S C -2.162 172.486 174.600 0.080 0.000 1.121 358 S CA -1.220 57.028 58.200 0.081 0.000 0.995 358 S CB 1.239 64.492 63.200 0.088 0.000 1.113 358 S HN -0.055 nan 8.310 nan 0.000 0.547 359 P HA 0.025 nan 4.420 nan 0.000 0.221 359 P C 1.000 178.353 177.300 0.088 0.000 1.145 359 P CA 1.014 64.156 63.100 0.071 0.000 0.795 359 P CB 0.044 31.774 31.700 0.051 0.000 0.775 360 M N -1.332 118.323 119.600 0.091 0.000 2.563 360 M HA 0.180 4.661 4.480 0.002 0.000 0.231 360 M C 0.539 176.993 176.300 0.257 0.000 1.136 360 M CA -0.574 54.793 55.300 0.112 0.000 1.026 360 M CB -1.127 31.490 32.600 0.028 0.000 1.597 360 M HN -0.204 nan 8.290 nan 0.000 0.495 361 A N 2.159 125.098 122.820 0.198 0.000 2.565 361 A HA 0.199 4.520 4.320 0.002 0.000 0.237 361 A C 0.067 177.833 177.584 0.304 0.000 1.053 361 A CA 0.564 52.705 52.037 0.173 0.000 0.755 361 A CB -0.262 18.797 19.000 0.099 0.000 0.980 361 A HN 0.665 nan 8.150 nan 0.000 0.506 362 H N -0.199 118.978 119.070 0.177 0.000 3.037 362 H HA 0.615 5.172 4.556 0.002 0.000 0.355 362 H C -3.409 172.030 175.328 0.186 0.000 1.263 362 H CA -2.477 53.706 56.048 0.226 0.000 1.129 362 H CB 0.600 30.592 29.762 0.383 0.000 1.861 362 H HN 0.343 nan 8.280 nan 0.000 0.546 363 P HA 0.096 nan 4.420 nan 0.000 0.272 363 P C 1.707 179.131 177.300 0.207 0.000 1.240 363 P CA -0.452 62.746 63.100 0.163 0.000 0.791 363 P CB 1.068 32.871 31.700 0.173 0.000 0.978 364 I N -1.270 119.380 120.570 0.133 0.000 2.423 364 I HA -0.105 4.066 4.170 0.002 0.000 0.254 364 I C 1.092 177.341 176.117 0.220 0.000 1.151 364 I CA 1.211 62.597 61.300 0.142 0.000 1.421 364 I CB -0.285 37.714 38.000 -0.001 0.000 1.079 364 I HN 0.145 nan 8.210 nan 0.000 0.431 365 R N 2.855 123.506 120.500 0.253 0.000 2.280 365 R HA 0.434 4.775 4.340 0.002 0.000 0.326 365 R C -2.576 173.878 176.300 0.257 0.000 1.080 365 R CA -2.039 54.227 56.100 0.277 0.000 1.002 365 R CB 0.665 31.156 30.300 0.319 0.000 1.136 365 R HN 0.086 nan 8.270 nan 0.000 0.509 366 P HA 0.047 nan 4.420 nan 0.000 0.270 366 P C -0.514 176.902 177.300 0.193 0.000 1.223 366 P CA -0.089 63.147 63.100 0.227 0.000 0.785 366 P CB 0.832 32.547 31.700 0.025 0.000 0.923 367 D N -0.031 120.436 120.400 0.112 0.000 2.388 367 D HA 0.136 4.777 4.640 0.002 0.000 0.208 367 D C 0.498 176.766 176.300 -0.053 0.000 1.035 367 D CA 0.974 54.972 54.000 -0.004 0.000 0.875 367 D CB 0.393 41.258 40.800 0.107 0.000 0.984 367 D HN 0.287 nan 8.370 nan 0.000 0.508 368 M N 1.130 120.741 119.600 0.018 0.000 2.277 368 M HA 0.363 4.844 4.480 0.002 0.000 0.282 368 M C -2.352 173.839 176.300 -0.181 0.000 1.074 368 M CA -0.458 54.765 55.300 -0.127 0.000 0.954 368 M CB 2.482 35.051 32.600 -0.051 0.000 1.672 368 M HN -0.397 nan 8.290 nan 0.000 0.471 369 V N 5.972 125.767 119.914 -0.199 0.000 2.733 369 V HA 0.409 4.530 4.120 0.002 0.000 0.306 369 V C 0.141 176.177 176.094 -0.096 0.000 1.084 369 V CA -0.362 61.743 62.300 -0.325 0.000 0.905 369 V CB 2.192 33.654 31.823 -0.601 0.000 1.010 369 V HN 0.981 nan 8.190 nan 0.000 0.424 370 I N 1.750 122.364 120.570 0.073 0.000 2.681 370 I HA 0.218 4.389 4.170 0.002 0.000 0.247 370 I C 0.727 176.902 176.117 0.097 0.000 1.091 370 I CA 0.590 61.947 61.300 0.095 0.000 1.442 370 I CB 0.449 38.556 38.000 0.178 0.000 1.219 370 I HN 0.601 nan 8.210 nan 0.000 0.451 371 E N 0.911 121.209 120.200 0.162 0.000 2.145 371 E HA 0.173 4.524 4.350 0.002 0.000 0.262 371 E C 0.427 177.134 176.600 0.178 0.000 0.883 371 E CA -0.396 56.076 56.400 0.120 0.000 0.748 371 E CB 1.380 31.138 29.700 0.098 0.000 1.140 371 E HN 0.104 nan 8.360 nan 0.000 0.417 372 M N 3.999 123.639 119.600 0.068 0.000 2.267 372 M HA -0.048 4.433 4.480 0.002 0.000 0.263 372 M C 0.585 177.000 176.300 0.191 0.000 1.063 372 M CA 1.521 56.856 55.300 0.059 0.000 1.090 372 M CB -0.214 32.276 32.600 -0.184 0.000 1.392 372 M HN 0.462 nan 8.290 nan 0.000 0.422 373 N N 0.434 119.187 118.700 0.089 0.000 2.443 373 N HA -0.100 4.641 4.740 0.002 0.000 0.184 373 N C 0.855 176.439 175.510 0.124 0.000 1.037 373 N CA 0.793 53.886 53.050 0.073 0.000 0.896 373 N CB -0.620 37.806 38.487 -0.102 0.000 0.959 373 N HN 0.469 nan 8.380 nan 0.000 0.442 374 N N 0.033 118.782 118.700 0.083 0.000 2.512 374 N HA -0.026 4.715 4.740 0.002 0.000 0.183 374 N C 0.246 175.499 175.510 -0.428 0.000 1.073 374 N CA 0.422 53.376 53.050 -0.159 0.000 0.911 374 N CB -0.112 38.215 38.487 -0.267 0.000 0.964 374 N HN 0.261 nan 8.380 nan 0.000 0.447 375 F N -0.947 118.990 119.950 -0.022 0.000 2.647 375 F HA 0.230 4.758 4.527 0.002 0.000 0.300 375 F C -0.177 175.536 175.800 -0.146 0.000 1.106 375 F CA -0.530 57.382 58.000 -0.147 0.000 1.313 375 F CB -0.056 38.800 39.000 -0.238 0.000 1.007 375 F HN -0.116 nan 8.300 nan 0.000 0.536 376 Y N 1.261 121.618 120.300 0.095 0.000 2.667 376 Y HA 0.232 4.783 4.550 0.002 0.000 0.340 376 Y C 0.967 176.880 175.900 0.022 0.000 1.303 376 Y CA -0.892 57.303 58.100 0.159 0.000 1.769 376 Y CB -0.635 37.852 38.460 0.045 0.000 1.804 376 Y HN -0.027 nan 8.280 nan 0.000 0.451 377 T N -3.389 111.295 114.554 0.216 0.000 2.940 377 T HA 0.372 4.723 4.350 0.002 0.000 0.288 377 T C 1.096 175.907 174.700 0.185 0.000 1.033 377 T CA -0.886 61.313 62.100 0.165 0.000 1.033 377 T CB 1.281 70.321 68.868 0.287 0.000 1.079 377 T HN 0.388 nan 8.240 nan 0.000 0.496 378 L N 0.556 121.844 121.223 0.107 0.000 2.103 378 L HA -0.189 4.152 4.340 0.002 0.000 0.215 378 L C 2.970 179.942 176.870 0.169 0.000 1.080 378 L CA 1.875 56.786 54.840 0.119 0.000 0.764 378 L CB -1.172 40.938 42.059 0.086 0.000 0.890 378 L HN 0.849 nan 8.230 nan 0.000 0.435 379 T N -1.009 113.640 114.554 0.157 0.000 2.668 379 T HA -0.147 4.204 4.350 0.002 0.000 0.262 379 T C 1.967 176.774 174.700 0.178 0.000 1.045 379 T CA 1.458 63.614 62.100 0.094 0.000 1.152 379 T CB -0.273 68.470 68.868 -0.209 0.000 0.864 379 T HN 0.056 nan 8.240 nan 0.000 0.419 380 V N 0.062 120.159 119.914 0.304 0.000 2.407 380 V HA -0.163 3.958 4.120 0.002 0.000 0.248 380 V C 2.054 178.271 176.094 0.205 0.000 1.055 380 V CA 1.623 64.082 62.300 0.265 0.000 1.049 380 V CB -0.628 31.366 31.823 0.284 0.000 0.662 380 V HN 0.458 nan 8.190 nan 0.000 0.455 381 Y N 0.243 120.611 120.300 0.113 0.000 2.186 381 Y HA 0.003 4.554 4.550 0.002 0.000 0.286 381 Y C 2.554 178.518 175.900 0.107 0.000 1.109 381 Y CA 1.441 59.614 58.100 0.121 0.000 1.099 381 Y CB -0.490 38.039 38.460 0.116 0.000 1.030 381 Y HN 0.153 nan 8.280 nan 0.000 0.495 382 E N 0.292 120.664 120.200 0.287 0.000 2.028 382 E HA -0.130 4.221 4.350 0.002 0.000 0.190 382 E C 2.080 178.769 176.600 0.148 0.000 0.984 382 E CA 1.187 57.700 56.400 0.188 0.000 0.800 382 E CB -0.138 29.650 29.700 0.146 0.000 0.758 382 E HN 0.192 nan 8.360 nan 0.000 0.448 383 K N 0.040 120.525 120.400 0.141 0.000 2.097 383 K HA -0.114 4.207 4.320 0.002 0.000 0.206 383 K C 2.122 178.738 176.600 0.025 0.000 1.049 383 K CA 1.388 57.735 56.287 0.099 0.000 0.933 383 K CB -0.397 32.167 32.500 0.108 0.000 0.717 383 K HN 0.225 nan 8.250 nan 0.000 0.442 384 G N 0.476 109.300 108.800 0.040 0.000 2.469 384 G HA2 -0.309 3.652 3.960 0.002 0.000 0.219 384 G HA3 -0.309 3.652 3.960 0.002 0.000 0.219 384 G C 1.530 176.422 174.900 -0.013 0.000 1.150 384 G CA 1.066 46.153 45.100 -0.021 0.000 0.763 384 G HN 0.450 nan 8.290 nan 0.000 0.561 385 A N 0.503 123.362 122.820 0.066 0.000 1.930 385 A HA 0.040 4.361 4.320 0.002 0.000 0.217 385 A C 2.239 179.872 177.584 0.082 0.000 1.175 385 A CA 1.794 53.907 52.037 0.125 0.000 0.627 385 A CB -0.247 18.879 19.000 0.210 0.000 0.815 385 A HN 0.286 nan 8.150 nan 0.000 0.443 386 E N 0.095 120.320 120.200 0.043 0.000 2.110 386 E HA -0.129 4.222 4.350 0.002 0.000 0.193 386 E C 2.171 178.669 176.600 -0.169 0.000 0.988 386 E CA 1.341 57.725 56.400 -0.026 0.000 0.804 386 E CB -0.645 29.049 29.700 -0.010 0.000 0.745 386 E HN 0.412 nan 8.360 nan 0.000 0.458 387 V N 1.857 121.640 119.914 -0.218 0.000 2.343 387 V HA -0.231 3.890 4.120 0.002 0.000 0.247 387 V C 2.374 178.438 176.094 -0.049 0.000 1.051 387 V CA 1.156 63.296 62.300 -0.266 0.000 1.036 387 V CB -0.397 31.193 31.823 -0.389 0.000 0.654 387 V HN 0.191 nan 8.190 nan 0.000 0.451 388 I N 0.210 120.728 120.570 -0.086 0.000 2.226 388 I HA -0.227 3.944 4.170 0.002 0.000 0.245 388 I C 2.574 178.436 176.117 -0.425 0.000 1.100 388 I CA 1.764 62.968 61.300 -0.160 0.000 1.374 388 I CB -1.254 36.571 38.000 -0.292 0.000 1.057 388 I HN 0.335 nan 8.210 nan 0.000 0.413 389 R N 0.498 120.760 120.500 -0.396 0.000 2.115 389 R HA -0.110 4.231 4.340 0.002 0.000 0.230 389 R C 2.343 178.563 176.300 -0.134 0.000 1.111 389 R CA 1.035 56.982 56.100 -0.256 0.000 0.976 389 R CB -0.042 30.309 30.300 0.085 0.000 0.870 389 R HN 0.246 nan 8.270 nan 0.000 0.445 390 M N 0.132 119.655 119.600 -0.128 0.000 2.117 390 M HA -0.170 4.311 4.480 0.002 0.000 0.262 390 M C 2.134 178.316 176.300 -0.196 0.000 1.065 390 M CA 1.616 56.853 55.300 -0.104 0.000 1.114 390 M CB -0.181 32.391 32.600 -0.046 0.000 1.361 390 M HN 0.187 nan 8.290 nan 0.000 0.408 391 I N -0.925 119.491 120.570 -0.257 0.000 2.163 391 I HA -0.373 3.798 4.170 0.002 0.000 0.243 391 I C 2.692 178.753 176.117 -0.093 0.000 1.085 391 I CA 1.384 62.494 61.300 -0.316 0.000 1.347 391 I CB -0.869 37.057 38.000 -0.123 0.000 1.044 391 I HN 0.414 nan 8.210 nan 0.000 0.408 392 H N 0.951 119.894 119.070 -0.211 0.000 2.352 392 H HA -0.157 4.400 4.556 0.002 0.000 0.299 392 H C 2.160 177.392 175.328 -0.160 0.000 1.097 392 H CA 2.124 57.985 56.048 -0.311 0.000 1.311 392 H CB 0.081 29.440 29.762 -0.670 0.000 1.377 392 H HN 0.254 nan 8.280 nan 0.000 0.504 393 T N 1.433 115.959 114.554 -0.047 0.000 2.777 393 T HA -0.075 4.276 4.350 0.002 0.000 0.266 393 T C 2.445 177.088 174.700 -0.094 0.000 1.040 393 T CA 1.095 63.167 62.100 -0.048 0.000 1.141 393 T CB -0.202 68.651 68.868 -0.026 0.000 0.868 393 T HN 0.232 nan 8.240 nan 0.000 0.444 394 L N -0.083 121.062 121.223 -0.130 0.000 2.093 394 L HA -0.027 4.314 4.340 0.002 0.000 0.208 394 L C 2.080 178.885 176.870 -0.109 0.000 1.085 394 L CA 0.827 55.593 54.840 -0.123 0.000 0.755 394 L CB -0.295 41.630 42.059 -0.222 0.000 0.904 394 L HN 0.219 nan 8.230 nan 0.000 0.435 395 L N -1.209 119.933 121.223 -0.135 0.000 2.408 395 L HA 0.327 4.668 4.340 0.002 0.000 0.215 395 L C 1.024 177.814 176.870 -0.134 0.000 1.081 395 L CA 0.742 55.516 54.840 -0.109 0.000 0.840 395 L CB -0.397 41.622 42.059 -0.068 0.000 1.002 395 L HN 0.265 nan 8.230 nan 0.000 0.468 396 G N -0.159 108.496 108.800 -0.242 0.000 2.733 396 G HA2 -0.272 3.689 3.960 0.002 0.000 0.686 396 G HA3 -0.272 3.689 3.960 0.002 0.000 0.686 396 G C 0.459 175.146 174.900 -0.355 0.000 1.373 396 G CA 0.133 45.060 45.100 -0.289 0.000 0.838 396 G HN 0.180 nan 8.290 nan 0.000 0.588 397 E N -0.082 119.923 120.200 -0.325 0.000 2.058 397 E HA -0.172 4.179 4.350 0.002 0.000 0.194 397 E C 2.160 178.754 176.600 -0.010 0.000 0.997 397 E CA 2.469 58.797 56.400 -0.122 0.000 0.801 397 E CB -0.174 29.541 29.700 0.024 0.000 0.746 397 E HN 0.707 nan 8.360 nan 0.000 0.450 398 E N -0.434 119.743 120.200 -0.038 0.000 2.047 398 E HA -0.221 4.130 4.350 0.002 0.000 0.191 398 E C 1.807 178.394 176.600 -0.022 0.000 0.987 398 E CA 1.270 57.653 56.400 -0.027 0.000 0.799 398 E CB -0.168 29.512 29.700 -0.034 0.000 0.752 398 E HN 0.236 nan 8.360 nan 0.000 0.449 399 N N 0.131 118.812 118.700 -0.032 0.000 2.166 399 N HA -0.160 4.581 4.740 0.002 0.000 0.186 399 N C 1.616 177.106 175.510 -0.032 0.000 1.019 399 N CA 0.879 53.904 53.050 -0.042 0.000 0.856 399 N CB -0.485 37.968 38.487 -0.056 0.000 0.993 399 N HN 0.209 nan 8.380 nan 0.000 0.426 400 F N 2.259 122.124 119.950 -0.140 0.000 2.095 400 F HA -0.182 4.346 4.527 0.001 0.000 0.298 400 F C 2.339 178.110 175.800 -0.050 0.000 1.104 400 F CA 1.411 59.353 58.000 -0.096 0.000 1.232 400 F CB -0.016 38.963 39.000 -0.036 0.000 0.987 400 F HN -0.018 nan 8.300 nan 0.000 0.475 401 Q N 0.665 120.516 119.800 0.085 0.000 2.119 401 Q HA -0.180 4.161 4.340 0.002 0.000 0.201 401 Q C 2.199 178.160 176.000 -0.064 0.000 0.972 401 Q CA 1.477 57.271 55.803 -0.015 0.000 0.847 401 Q CB -0.468 28.244 28.738 -0.044 0.000 0.903 401 Q HN 0.494 nan 8.270 nan 0.000 0.433 402 K N -0.199 120.158 120.400 -0.072 0.000 2.026 402 K HA -0.112 4.209 4.320 0.002 0.000 0.208 402 K C 2.139 178.665 176.600 -0.124 0.000 1.048 402 K CA 1.231 57.471 56.287 -0.078 0.000 0.929 402 K CB -0.407 32.051 32.500 -0.070 0.000 0.713 402 K HN 0.289 nan 8.250 nan 0.000 0.439 403 G N 1.568 110.239 108.800 -0.214 0.000 2.446 403 G HA2 -0.265 3.696 3.960 0.002 0.000 0.217 403 G HA3 -0.265 3.696 3.960 0.002 0.000 0.217 403 G C 1.474 176.182 174.900 -0.319 0.000 1.168 403 G CA 0.789 45.694 45.100 -0.324 0.000 0.771 403 G HN 0.067 nan 8.290 nan 0.000 0.551 404 M N 0.342 119.752 119.600 -0.316 0.000 2.080 404 M HA -0.129 4.352 4.480 0.002 0.000 0.260 404 M C 2.666 178.948 176.300 -0.029 0.000 1.068 404 M CA 1.439 56.645 55.300 -0.157 0.000 1.109 404 M CB -1.373 31.278 32.600 0.086 0.000 1.342 404 M HN 0.360 nan 8.290 nan 0.000 0.405 405 Q N -0.308 119.520 119.800 0.047 0.000 2.084 405 Q HA -0.186 4.155 4.340 0.002 0.000 0.202 405 Q C 2.084 178.125 176.000 0.069 0.000 0.978 405 Q CA 1.220 57.089 55.803 0.110 0.000 0.844 405 Q CB -0.350 28.416 28.738 0.047 0.000 0.898 405 Q HN 0.305 nan 8.270 nan 0.000 0.426 406 L N -0.309 120.913 121.223 -0.002 0.000 2.093 406 L HA -0.174 4.167 4.340 0.002 0.000 0.208 406 L C 2.129 179.014 176.870 0.026 0.000 1.085 406 L CA 1.649 56.483 54.840 -0.009 0.000 0.755 406 L CB -0.683 41.347 42.059 -0.049 0.000 0.904 406 L HN 0.227 nan 8.230 nan 0.000 0.435 407 Y N -0.511 119.706 120.300 -0.137 0.000 2.128 407 Y HA -0.308 4.243 4.550 0.001 0.000 0.284 407 Y C 2.132 178.045 175.900 0.021 0.000 1.154 407 Y CA 1.957 60.011 58.100 -0.076 0.000 1.149 407 Y CB -0.651 37.653 38.460 -0.260 0.000 0.976 407 Y HN 0.209 nan 8.280 nan 0.000 0.505 408 F N 0.676 120.641 119.950 0.025 0.000 2.146 408 F HA -0.087 4.441 4.527 0.001 0.000 0.298 408 F C 2.615 178.402 175.800 -0.021 0.000 1.096 408 F CA 1.628 59.612 58.000 -0.026 0.000 1.275 408 F CB -1.102 37.927 39.000 0.050 0.000 1.008 408 F HN 0.161 nan 8.300 nan 0.000 0.480 409 E N 0.390 120.677 120.200 0.144 0.000 2.058 409 E HA -0.219 4.132 4.350 0.002 0.000 0.194 409 E C 2.365 178.940 176.600 -0.042 0.000 0.997 409 E CA 1.350 57.783 56.400 0.055 0.000 0.801 409 E CB 0.009 29.725 29.700 0.027 0.000 0.746 409 E HN 0.329 nan 8.360 nan 0.000 0.450 410 R N -1.070 119.333 120.500 -0.161 0.000 2.090 410 R HA -0.042 4.299 4.340 0.002 0.000 0.228 410 R C 1.725 177.721 176.300 -0.507 0.000 1.110 410 R CA 1.250 57.099 56.100 -0.418 0.000 0.973 410 R CB 0.024 29.898 30.300 -0.710 0.000 0.869 410 R HN 0.352 nan 8.270 nan 0.000 0.440 411 H N -1.143 117.892 119.070 -0.058 0.000 2.986 411 H HA 0.095 4.652 4.556 0.002 0.000 0.267 411 H C -0.268 175.044 175.328 -0.027 0.000 1.072 411 H CA -0.497 55.498 56.048 -0.088 0.000 1.202 411 H CB 0.209 29.833 29.762 -0.229 0.000 1.535 411 H HN 0.068 nan 8.280 nan 0.000 0.522 412 D N 0.921 121.398 120.400 0.129 0.000 2.533 412 D HA 0.053 4.694 4.640 0.002 0.000 0.236 412 D C 1.479 177.845 176.300 0.109 0.000 1.137 412 D CA 1.826 55.930 54.000 0.172 0.000 0.867 412 D CB 0.336 41.275 40.800 0.230 0.000 1.170 412 D HN 0.607 nan 8.370 nan 0.000 0.474 413 G N 2.234 111.083 108.800 0.082 0.000 2.157 413 G HA2 -0.203 3.758 3.960 0.002 0.000 0.248 413 G HA3 -0.203 3.758 3.960 0.002 0.000 0.248 413 G C 0.294 175.236 174.900 0.069 0.000 0.979 413 G CA 0.720 45.867 45.100 0.078 0.000 0.650 413 G HN 1.156 nan 8.290 nan 0.000 0.529 414 S N -1.144 114.600 115.700 0.073 0.000 2.704 414 S HA 0.894 5.365 4.470 0.002 0.000 0.296 414 S C -0.162 174.473 174.600 0.059 0.000 1.138 414 S CA 0.220 58.464 58.200 0.073 0.000 0.875 414 S CB 2.125 65.382 63.200 0.096 0.000 1.151 414 S HN 1.886 nan 8.310 nan 0.000 0.500 415 A N 0.462 123.309 122.820 0.044 0.000 2.260 415 A HA 0.835 5.156 4.320 0.002 0.000 0.308 415 A C 0.283 177.857 177.584 -0.016 0.000 1.254 415 A CA -0.294 51.750 52.037 0.011 0.000 0.874 415 A CB -0.109 18.890 19.000 -0.002 0.000 1.153 415 A HN 1.511 nan 8.150 nan 0.000 0.527 416 A N 1.956 124.751 122.820 -0.043 0.000 2.347 416 A HA 0.948 5.269 4.320 0.002 0.000 0.301 416 A C 0.420 177.941 177.584 -0.104 0.000 1.163 416 A CA 0.075 52.042 52.037 -0.116 0.000 0.860 416 A CB 0.803 19.656 19.000 -0.244 0.000 1.367 416 A HN 1.454 nan 8.150 nan 0.000 0.461 417 T N -3.568 110.913 114.554 -0.122 0.000 2.942 417 T HA 0.378 4.729 4.350 0.002 0.000 0.289 417 T C 0.994 175.654 174.700 -0.066 0.000 1.044 417 T CA -0.057 61.984 62.100 -0.098 0.000 1.023 417 T CB 0.661 69.460 68.868 -0.116 0.000 1.123 417 T HN 0.602 nan 8.240 nan 0.000 0.512 418 C N 0.507 119.765 119.300 -0.070 0.000 2.401 418 C HA -0.090 4.371 4.460 0.002 0.000 0.276 418 C C 2.520 177.370 174.990 -0.234 0.000 1.233 418 C CA 1.598 60.532 59.018 -0.141 0.000 1.753 418 C CB -1.443 26.195 27.740 -0.169 0.000 2.029 418 C HN 1.142 nan 8.230 nan 0.000 0.478 419 D N 0.580 120.861 120.400 -0.199 0.000 2.149 419 D HA -0.141 4.500 4.640 0.002 0.000 0.198 419 D C 1.641 177.894 176.300 -0.078 0.000 0.990 419 D CA 1.391 55.300 54.000 -0.153 0.000 0.839 419 D CB -0.204 40.540 40.800 -0.093 0.000 0.948 419 D HN 0.406 nan 8.370 nan 0.000 0.460 420 D N -0.593 119.772 120.400 -0.058 0.000 2.104 420 D HA -0.194 4.447 4.640 0.002 0.000 0.194 420 D C 1.766 178.089 176.300 0.039 0.000 0.994 420 D CA 0.675 54.658 54.000 -0.028 0.000 0.830 420 D CB -0.502 40.140 40.800 -0.263 0.000 0.959 420 D HN 0.306 nan 8.370 nan 0.000 0.452 421 F N 1.466 121.324 119.950 -0.153 0.000 2.102 421 F HA -0.195 4.334 4.527 0.002 0.000 0.298 421 F C 2.229 177.895 175.800 -0.223 0.000 1.105 421 F CA 0.967 58.786 58.000 -0.302 0.000 1.239 421 F CB -0.322 38.372 39.000 -0.510 0.000 0.991 421 F HN -0.224 nan 8.300 nan 0.000 0.474 422 V N 0.697 120.516 119.914 -0.157 0.000 2.287 422 V HA -0.355 3.766 4.120 0.002 0.000 0.248 422 V C 2.475 178.453 176.094 -0.194 0.000 1.053 422 V CA 2.356 64.548 62.300 -0.180 0.000 1.027 422 V CB -0.950 30.844 31.823 -0.049 0.000 0.646 422 V HN 0.484 nan 8.190 nan 0.000 0.447 423 Q N -0.300 119.431 119.800 -0.116 0.000 2.124 423 Q HA -0.224 4.116 4.340 0.002 0.000 0.202 423 Q C 2.282 178.219 176.000 -0.105 0.000 0.977 423 Q CA 1.895 57.655 55.803 -0.072 0.000 0.850 423 Q CB -0.238 28.494 28.738 -0.010 0.000 0.901 423 Q HN 0.653 nan 8.270 nan 0.000 0.429 424 A N 0.701 123.441 122.820 -0.134 0.000 1.902 424 A HA -0.201 4.120 4.320 0.002 0.000 0.217 424 A C 2.053 179.473 177.584 -0.272 0.000 1.181 424 A CA 1.530 53.477 52.037 -0.151 0.000 0.623 424 A CB -0.473 18.483 19.000 -0.074 0.000 0.818 424 A HN 0.386 nan 8.150 nan 0.000 0.443 425 M N -0.698 118.630 119.600 -0.454 0.000 2.086 425 M HA -0.162 4.319 4.480 0.002 0.000 0.261 425 M C 2.123 178.272 176.300 -0.252 0.000 1.067 425 M CA 2.009 57.045 55.300 -0.441 0.000 1.116 425 M CB -1.270 30.988 32.600 -0.570 0.000 1.348 425 M HN 0.729 nan 8.290 nan 0.000 0.407 426 E N 0.382 120.466 120.200 -0.193 0.000 2.051 426 E HA -0.226 4.125 4.350 0.002 0.000 0.192 426 E C 1.385 177.934 176.600 -0.085 0.000 0.991 426 E CA 1.569 57.904 56.400 -0.110 0.000 0.799 426 E CB 0.126 29.787 29.700 -0.065 0.000 0.748 426 E HN 0.372 nan 8.360 nan 0.000 0.449 427 D N 0.149 120.498 120.400 -0.085 0.000 2.144 427 D HA -0.102 4.539 4.640 0.002 0.000 0.200 427 D C 1.767 178.026 176.300 -0.068 0.000 0.978 427 D CA 1.323 55.286 54.000 -0.062 0.000 0.833 427 D CB -0.261 40.509 40.800 -0.050 0.000 0.961 427 D HN 0.313 nan 8.370 nan 0.000 0.470 428 A N 0.583 123.346 122.820 -0.095 0.000 1.968 428 A HA -0.088 4.233 4.320 0.002 0.000 0.217 428 A C 2.244 179.780 177.584 -0.080 0.000 1.169 428 A CA 1.895 53.878 52.037 -0.091 0.000 0.638 428 A CB -0.229 18.698 19.000 -0.122 0.000 0.812 428 A HN 0.303 nan 8.150 nan 0.000 0.446 429 S N -1.597 114.049 115.700 -0.090 0.000 2.497 429 S HA 0.062 4.533 4.470 0.002 0.000 0.218 429 S C 0.632 175.201 174.600 -0.052 0.000 1.023 429 S CA 0.635 58.790 58.200 -0.075 0.000 0.913 429 S CB -0.536 62.608 63.200 -0.094 0.000 0.800 429 S HN 0.612 nan 8.310 nan 0.000 0.505 430 N N 0.049 118.720 118.700 -0.047 0.000 2.708 430 N HA -0.124 4.617 4.740 0.002 0.000 0.251 430 N C -0.932 174.567 175.510 -0.018 0.000 1.123 430 N CA 0.637 53.670 53.050 -0.029 0.000 0.739 430 N CB -1.713 36.762 38.487 -0.021 0.000 1.113 430 N HN 0.360 nan 8.380 nan 0.000 0.561 431 V N 0.736 120.632 119.914 -0.029 0.000 2.432 431 V HA 0.161 4.282 4.120 0.002 0.000 0.275 431 V C 0.457 176.556 176.094 0.009 0.000 1.043 431 V CA -0.518 61.777 62.300 -0.009 0.000 0.925 431 V CB 1.494 33.296 31.823 -0.034 0.000 0.985 431 V HN 0.138 nan 8.190 nan 0.000 0.466 432 D N 4.617 125.049 120.400 0.053 0.000 2.339 432 D HA 0.186 4.827 4.640 0.002 0.000 0.256 432 D C 0.324 176.710 176.300 0.143 0.000 1.214 432 D CA 0.203 54.252 54.000 0.082 0.000 0.877 432 D CB 0.814 41.667 40.800 0.089 0.000 1.111 432 D HN 0.461 nan 8.370 nan 0.000 0.478 433 L N 3.068 124.368 121.223 0.130 0.000 3.066 433 L HA 0.150 4.491 4.340 0.002 0.000 0.265 433 L C 1.776 178.818 176.870 0.287 0.000 1.232 433 L CA -0.271 54.697 54.840 0.213 0.000 1.031 433 L CB 0.174 42.285 42.059 0.085 0.000 1.379 433 L HN 0.273 nan 8.230 nan 0.000 0.563 434 S N -0.706 115.132 115.700 0.231 0.000 2.356 434 S HA -0.229 4.242 4.470 0.002 0.000 0.223 434 S C 1.857 176.629 174.600 0.286 0.000 1.032 434 S CA 1.449 59.772 58.200 0.204 0.000 1.005 434 S CB -0.253 63.028 63.200 0.134 0.000 0.867 434 S HN 0.592 nan 8.310 nan 0.000 0.449 435 H N -0.549 118.646 119.070 0.208 0.000 2.357 435 H HA -0.061 4.496 4.556 0.001 0.000 0.301 435 H C 2.091 177.589 175.328 0.283 0.000 1.082 435 H CA 1.169 57.333 56.048 0.194 0.000 1.342 435 H CB -0.193 29.663 29.762 0.157 0.000 1.389 435 H HN 0.390 nan 8.280 nan 0.000 0.511 436 F N 1.993 122.129 119.950 0.312 0.000 2.154 436 F HA -0.229 4.299 4.527 0.002 0.000 0.301 436 F C 2.449 178.470 175.800 0.369 0.000 1.087 436 F CA 1.466 59.648 58.000 0.302 0.000 1.274 436 F CB -0.190 38.951 39.000 0.235 0.000 1.009 436 F HN 0.044 nan 8.300 nan 0.000 0.485 437 R N -0.251 120.506 120.500 0.429 0.000 2.211 437 R HA -0.220 4.121 4.340 0.002 0.000 0.240 437 R C 2.319 178.787 176.300 0.281 0.000 1.144 437 R CA 1.329 57.653 56.100 0.372 0.000 0.992 437 R CB -0.465 29.973 30.300 0.230 0.000 0.869 437 R HN 0.309 nan 8.270 nan 0.000 0.462 438 R N 0.004 120.587 120.500 0.138 0.000 2.159 438 R HA -0.182 4.159 4.340 0.002 0.000 0.237 438 R C 1.292 177.560 176.300 -0.054 0.000 1.131 438 R CA 1.430 57.546 56.100 0.027 0.000 0.982 438 R CB -0.178 30.109 30.300 -0.021 0.000 0.868 438 R HN 0.324 nan 8.270 nan 0.000 0.453 439 W N -0.702 120.491 121.300 -0.178 0.000 2.387 439 W HA -0.190 4.471 4.660 0.001 0.000 0.272 439 W C 1.358 177.752 176.519 -0.210 0.000 1.224 439 W CA 0.684 57.852 57.345 -0.295 0.000 1.210 439 W CB -0.153 28.925 29.460 -0.636 0.000 1.125 439 W HN 0.180 nan 8.180 nan 0.000 0.572 440 Y N -0.750 119.636 120.300 0.143 0.000 2.420 440 Y HA -0.135 4.416 4.550 0.001 0.000 0.292 440 Y C 2.521 178.487 175.900 0.109 0.000 1.119 440 Y CA 1.464 59.644 58.100 0.132 0.000 1.229 440 Y CB -0.421 38.115 38.460 0.128 0.000 1.026 440 Y HN -0.099 nan 8.280 nan 0.000 0.554 441 S N -1.429 114.398 115.700 0.213 0.000 2.523 441 S HA 0.114 4.585 4.470 0.002 0.000 0.217 441 S C 0.393 175.048 174.600 0.091 0.000 0.996 441 S CA -0.532 57.756 58.200 0.146 0.000 0.921 441 S CB 0.138 63.413 63.200 0.124 0.000 0.829 441 S HN 0.335 nan 8.310 nan 0.000 0.495 442 Q N 2.346 122.176 119.800 0.051 0.000 2.322 442 Q HA 0.559 4.900 4.340 0.002 0.000 0.265 442 Q C -0.473 175.539 176.000 0.020 0.000 0.985 442 Q CA -0.553 55.254 55.803 0.006 0.000 0.849 442 Q CB 1.646 30.335 28.738 -0.081 0.000 1.274 442 Q HN 0.470 nan 8.270 nan 0.000 0.449 443 S N 2.294 118.015 115.700 0.035 0.000 2.707 443 S HA 0.936 5.407 4.470 0.002 0.000 0.276 443 S C 0.280 174.884 174.600 0.007 0.000 1.179 443 S CA 0.056 58.278 58.200 0.037 0.000 0.992 443 S CB 1.327 64.568 63.200 0.068 0.000 1.030 443 S HN 1.210 nan 8.310 nan 0.000 0.554 444 G N -0.017 108.787 108.800 0.005 0.000 2.712 444 G HA2 0.016 3.977 3.960 0.002 0.000 0.686 444 G HA3 0.016 3.977 3.960 0.002 0.000 0.686 444 G C -0.533 174.342 174.900 -0.042 0.000 1.321 444 G CA -0.547 44.542 45.100 -0.019 0.000 0.813 444 G HN 1.104 nan 8.290 nan 0.000 0.599 445 T N 3.747 118.233 114.554 -0.114 0.000 2.743 445 T HA 0.566 4.917 4.350 0.002 0.000 0.293 445 T C -2.063 172.552 174.700 -0.143 0.000 0.945 445 T CA -0.622 61.354 62.100 -0.207 0.000 1.030 445 T CB 1.545 70.062 68.868 -0.585 0.000 0.912 445 T HN 0.515 nan 8.240 nan 0.000 0.483 446 P HA 0.233 nan 4.420 nan 0.000 0.269 446 P C -0.562 176.723 177.300 -0.025 0.000 1.209 446 P CA -0.272 62.797 63.100 -0.052 0.000 0.776 446 P CB 0.384 32.065 31.700 -0.032 0.000 0.876 447 I N 2.182 122.746 120.570 -0.011 0.000 2.339 447 I HA 0.247 4.418 4.170 0.002 0.000 0.290 447 I C -0.329 175.817 176.117 0.048 0.000 0.994 447 I CA -0.836 60.480 61.300 0.026 0.000 1.191 447 I CB 1.501 39.507 38.000 0.011 0.000 1.343 447 I HN -0.046 nan 8.210 nan 0.000 0.458 448 V N 5.408 125.381 119.914 0.098 0.000 2.347 448 V HA 0.326 4.447 4.120 0.002 0.000 0.280 448 V C 0.147 176.291 176.094 0.083 0.000 1.021 448 V CA -0.349 62.004 62.300 0.087 0.000 0.847 448 V CB 1.552 33.471 31.823 0.158 0.000 0.990 448 V HN 0.719 nan 8.190 nan 0.000 0.444 449 T N 4.921 119.492 114.554 0.028 0.000 2.767 449 T HA 0.584 4.935 4.350 0.002 0.000 0.284 449 T C -0.300 174.406 174.700 0.010 0.000 0.973 449 T CA -0.349 61.770 62.100 0.031 0.000 0.996 449 T CB 1.512 70.386 68.868 0.010 0.000 0.927 449 T HN 0.340 nan 8.240 nan 0.000 0.456 450 V N 4.420 124.373 119.914 0.065 0.000 2.444 450 V HA 0.486 4.607 4.120 0.002 0.000 0.294 450 V C -0.111 176.060 176.094 0.129 0.000 1.022 450 V CA -0.897 61.457 62.300 0.090 0.000 0.850 450 V CB 1.636 33.547 31.823 0.148 0.000 0.992 450 V HN 0.735 nan 8.190 nan 0.000 0.426 451 K N 3.354 123.788 120.400 0.057 0.000 2.259 451 K HA 0.707 5.028 4.320 0.002 0.000 0.249 451 K C -1.228 175.390 176.600 0.030 0.000 0.942 451 K CA -0.795 55.502 56.287 0.018 0.000 0.816 451 K CB 2.055 34.537 32.500 -0.029 0.000 1.155 451 K HN 0.899 nan 8.250 nan 0.000 0.428 452 D N 0.210 120.630 120.400 0.033 0.000 2.523 452 D HA 0.423 5.064 4.640 0.002 0.000 0.236 452 D C -1.367 174.914 176.300 -0.031 0.000 1.094 452 D CA -0.629 53.342 54.000 -0.049 0.000 0.942 452 D CB 1.875 42.688 40.800 0.021 0.000 1.447 452 D HN 0.395 nan 8.370 nan 0.000 0.479 453 D N -1.040 119.301 120.400 -0.098 0.000 2.990 453 D HA 0.331 4.972 4.640 0.002 0.000 0.227 453 D C -2.059 174.342 176.300 0.169 0.000 1.249 453 D CA -0.541 53.478 54.000 0.031 0.000 0.891 453 D CB 1.275 42.064 40.800 -0.019 0.000 1.647 453 D HN 0.332 nan 8.370 nan 0.000 0.530 454 Y N 3.495 123.869 120.300 0.123 0.000 2.331 454 Y HA 0.506 5.057 4.550 0.001 0.000 0.338 454 Y C -0.896 175.041 175.900 0.063 0.000 0.992 454 Y CA -0.944 57.251 58.100 0.158 0.000 1.121 454 Y CB 1.185 39.735 38.460 0.150 0.000 1.184 454 Y HN 0.344 nan 8.280 nan 0.000 0.469 455 N N 8.574 126.978 118.700 -0.494 0.000 2.546 455 N HA 0.270 5.011 4.740 0.002 0.000 0.238 455 N C -2.178 172.926 175.510 -0.678 0.000 0.984 455 N CA -2.375 50.419 53.050 -0.426 0.000 0.935 455 N CB 1.650 40.007 38.487 -0.216 0.000 1.122 455 N HN 0.414 nan 8.380 nan 0.000 0.510 456 P HA -0.085 nan 4.420 nan 0.000 0.221 456 P C 0.497 177.693 177.300 -0.174 0.000 1.150 456 P CA 1.146 64.039 63.100 -0.344 0.000 0.800 456 P CB 0.652 32.285 31.700 -0.112 0.000 0.787 457 E N -0.014 120.102 120.200 -0.140 0.000 2.072 457 E HA -0.105 4.245 4.350 0.002 0.000 0.191 457 E C 1.797 178.357 176.600 -0.067 0.000 0.985 457 E CA 1.939 58.292 56.400 -0.078 0.000 0.801 457 E CB -0.635 29.027 29.700 -0.062 0.000 0.750 457 E HN 0.389 nan 8.360 nan 0.000 0.452 458 T N -2.076 112.421 114.554 -0.095 0.000 3.060 458 T HA 0.092 4.443 4.350 0.002 0.000 0.249 458 T C 0.254 174.929 174.700 -0.042 0.000 1.079 458 T CA -0.137 61.930 62.100 -0.056 0.000 1.013 458 T CB 0.045 68.882 68.868 -0.052 0.000 0.975 458 T HN 0.094 nan 8.240 nan 0.000 0.518 459 E N 1.126 121.266 120.200 -0.101 0.000 2.297 459 E HA -0.181 4.170 4.350 0.002 0.000 0.228 459 E C -0.642 175.988 176.600 0.050 0.000 1.213 459 E CA 0.264 56.647 56.400 -0.029 0.000 0.712 459 E CB -1.517 28.248 29.700 0.110 0.000 1.202 459 E HN 0.728 nan 8.360 nan 0.000 0.376 460 Q N 0.151 119.925 119.800 -0.043 0.000 2.337 460 Q HA 0.523 4.864 4.340 0.002 0.000 0.266 460 Q C -1.071 175.061 176.000 0.220 0.000 1.023 460 Q CA -0.737 55.128 55.803 0.103 0.000 0.829 460 Q CB 1.825 30.584 28.738 0.035 0.000 1.306 460 Q HN 0.266 nan 8.270 nan 0.000 0.449 461 Y N 1.046 121.492 120.300 0.243 0.000 2.341 461 Y HA 0.403 4.954 4.550 0.001 0.000 0.338 461 Y C -1.000 175.086 175.900 0.310 0.000 0.965 461 Y CA -0.360 57.928 58.100 0.313 0.000 1.108 461 Y CB 1.641 40.302 38.460 0.335 0.000 1.180 461 Y HN 0.458 nan 8.280 nan 0.000 0.458 462 T N 7.628 122.063 114.554 -0.197 0.000 2.792 462 T HA 0.501 4.852 4.350 0.002 0.000 0.280 462 T C -0.750 173.762 174.700 -0.312 0.000 0.990 462 T CA -0.577 61.426 62.100 -0.161 0.000 0.960 462 T CB 0.596 69.408 68.868 -0.093 0.000 0.939 462 T HN 0.512 nan 8.240 nan 0.000 0.439 463 L N 3.247 124.419 121.223 -0.084 0.000 2.287 463 L HA 0.462 4.803 4.340 0.002 0.000 0.287 463 L C 0.150 177.067 176.870 0.079 0.000 1.022 463 L CA -0.652 54.187 54.840 -0.002 0.000 0.814 463 L CB 1.508 43.673 42.059 0.177 0.000 1.217 463 L HN 0.598 nan 8.230 nan 0.000 0.420 464 T N 4.968 119.534 114.554 0.020 0.000 2.770 464 T HA 0.562 4.913 4.350 0.002 0.000 0.297 464 T C -0.085 174.622 174.700 0.012 0.000 0.997 464 T CA -0.200 61.909 62.100 0.014 0.000 0.949 464 T CB 0.565 69.418 68.868 -0.025 0.000 0.941 464 T HN 0.268 nan 8.240 nan 0.000 0.457 465 I N 2.644 123.233 120.570 0.031 0.000 2.406 465 I HA 0.428 4.599 4.170 0.002 0.000 0.290 465 I C 0.222 176.324 176.117 -0.025 0.000 0.999 465 I CA -0.645 60.629 61.300 -0.044 0.000 1.124 465 I CB 1.803 39.718 38.000 -0.140 0.000 1.289 465 I HN 0.500 nan 8.210 nan 0.000 0.441 466 S N 5.164 120.840 115.700 -0.039 0.000 2.664 466 S HA 0.679 5.149 4.470 0.002 0.000 0.304 466 S C -0.799 173.788 174.600 -0.021 0.000 1.099 466 S CA -0.823 57.363 58.200 -0.024 0.000 1.003 466 S CB 2.066 65.254 63.200 -0.020 0.000 1.092 466 S HN 0.676 nan 8.310 nan 0.000 0.525 467 Q N 0.409 120.202 119.800 -0.012 0.000 2.377 467 Q HA 0.720 5.061 4.340 0.002 0.000 0.279 467 Q C -1.407 174.582 176.000 -0.019 0.000 1.049 467 Q CA -1.201 54.597 55.803 -0.009 0.000 0.825 467 Q CB 1.972 30.707 28.738 -0.004 0.000 1.401 467 Q HN 0.695 nan 8.270 nan 0.000 0.404 468 R N 0.384 120.871 120.500 -0.023 0.000 2.740 468 R HA 0.681 5.022 4.340 0.002 0.000 0.273 468 R C -1.494 174.779 176.300 -0.045 0.000 0.998 468 R CA -0.698 55.383 56.100 -0.032 0.000 0.900 468 R CB 2.052 32.339 30.300 -0.023 0.000 1.223 468 R HN 0.640 nan 8.270 nan 0.000 0.466 469 T N 3.173 117.694 114.554 -0.056 0.000 2.809 469 T HA 0.424 4.775 4.350 0.002 0.000 0.284 469 T C -2.619 172.055 174.700 -0.042 0.000 0.992 469 T CA -1.426 60.637 62.100 -0.061 0.000 0.957 469 T CB 1.885 70.701 68.868 -0.088 0.000 0.942 469 T HN 0.385 nan 8.240 nan 0.000 0.439 470 P HA 0.327 nan 4.420 nan 0.000 0.271 470 P C -0.412 176.880 177.300 -0.014 0.000 1.218 470 P CA -0.482 62.606 63.100 -0.020 0.000 0.780 470 P CB 0.348 32.038 31.700 -0.016 0.000 0.901 471 A N 2.452 125.269 122.820 -0.005 0.000 2.555 471 A HA 0.371 4.692 4.320 0.002 0.000 0.233 471 A C 0.677 178.269 177.584 0.013 0.000 1.060 471 A CA 0.628 52.668 52.037 0.005 0.000 0.759 471 A CB -0.747 18.259 19.000 0.010 0.000 0.995 471 A HN 0.641 nan 8.150 nan 0.000 0.506 472 T N -0.426 114.142 114.554 0.024 0.000 2.942 472 T HA 0.622 4.973 4.350 0.002 0.000 0.289 472 T C -2.168 172.562 174.700 0.051 0.000 1.044 472 T CA -1.628 60.494 62.100 0.038 0.000 1.023 472 T CB 1.369 70.263 68.868 0.045 0.000 1.123 472 T HN 0.272 nan 8.240 nan 0.000 0.512 473 P HA -0.100 nan 4.420 nan 0.000 0.217 473 P C 1.141 178.490 177.300 0.082 0.000 1.148 473 P CA 1.116 64.256 63.100 0.067 0.000 0.828 473 P CB 0.026 31.768 31.700 0.071 0.000 0.783 474 D N -1.887 118.573 120.400 0.099 0.000 2.333 474 D HA -0.044 4.597 4.640 0.002 0.000 0.208 474 D C 0.453 176.814 176.300 0.103 0.000 0.984 474 D CA 0.601 54.673 54.000 0.120 0.000 0.873 474 D CB -0.020 40.877 40.800 0.162 0.000 0.935 474 D HN 0.235 nan 8.370 nan 0.000 0.521 475 Q N -0.361 119.486 119.800 0.078 0.000 2.269 475 Q HA 0.566 4.907 4.340 0.002 0.000 0.263 475 Q C -0.370 175.654 176.000 0.040 0.000 0.983 475 Q CA -0.465 55.375 55.803 0.060 0.000 0.777 475 Q CB 2.390 31.162 28.738 0.055 0.000 1.273 475 Q HN 0.064 nan 8.270 nan 0.000 0.440 476 A N 2.218 125.059 122.820 0.035 0.000 2.067 476 A HA -0.015 4.306 4.320 0.002 0.000 0.217 476 A C 0.627 178.219 177.584 0.012 0.000 1.156 476 A CA 0.882 52.932 52.037 0.023 0.000 0.683 476 A CB 0.343 19.356 19.000 0.022 0.000 0.808 476 A HN 0.576 nan 8.150 nan 0.000 0.455 477 E N 0.967 121.174 120.200 0.011 0.000 2.166 477 E HA 0.378 4.729 4.350 0.002 0.000 0.275 477 E C -1.056 175.541 176.600 -0.006 0.000 0.941 477 E CA -0.435 55.965 56.400 0.001 0.000 0.784 477 E CB 0.661 30.362 29.700 0.001 0.000 1.115 477 E HN 0.078 nan 8.360 nan 0.000 0.399 478 K N 2.869 123.259 120.400 -0.017 0.000 2.426 478 K HA 0.442 4.763 4.320 0.002 0.000 0.251 478 K C -0.539 176.038 176.600 -0.039 0.000 0.941 478 K CA -0.746 55.521 56.287 -0.033 0.000 0.808 478 K CB 2.244 34.720 32.500 -0.039 0.000 1.265 478 K HN 0.547 nan 8.250 nan 0.000 0.432 479 Q N 0.837 120.605 119.800 -0.053 0.000 2.484 479 Q HA 0.459 4.800 4.340 0.002 0.000 0.285 479 Q C -2.511 173.456 176.000 -0.056 0.000 1.097 479 Q CA -2.172 53.604 55.803 -0.045 0.000 0.802 479 Q CB 2.256 30.974 28.738 -0.033 0.000 1.444 479 Q HN 0.226 nan 8.270 nan 0.000 0.429 480 P HA 0.034 nan 4.420 nan 0.000 0.266 480 P C -0.906 176.430 177.300 0.059 0.000 1.195 480 P CA 0.356 63.458 63.100 0.003 0.000 0.768 480 P CB 0.466 32.195 31.700 0.049 0.000 0.838 481 L N 1.599 122.725 121.223 -0.162 0.000 2.365 481 L HA 0.376 4.717 4.340 0.002 0.000 0.267 481 L C 0.962 177.576 176.870 -0.427 0.000 1.033 481 L CA -0.853 53.694 54.840 -0.487 0.000 0.802 481 L CB 0.686 42.126 42.059 -1.032 0.000 1.267 481 L HN 0.469 nan 8.230 nan 0.000 0.457 482 H N 1.960 120.592 119.070 -0.731 0.000 2.911 482 H HA 0.390 4.947 4.556 0.001 0.000 0.273 482 H C -0.832 174.665 175.328 0.282 0.000 1.157 482 H CA -0.580 55.328 56.048 -0.232 0.000 1.402 482 H CB 0.337 30.031 29.762 -0.112 0.000 1.463 482 H HN 0.343 nan 8.280 nan 0.000 0.475 483 I N 8.316 129.194 120.570 0.514 0.000 2.328 483 I HA 0.215 4.386 4.170 0.002 0.000 0.287 483 I C -2.325 174.052 176.117 0.434 0.000 1.012 483 I CA -2.327 59.272 61.300 0.497 0.000 1.195 483 I CB 1.514 39.744 38.000 0.383 0.000 1.350 483 I HN 0.520 nan 8.210 nan 0.000 0.464 484 P HA 0.102 nan 4.420 nan 0.000 0.276 484 P C -0.835 176.587 177.300 0.204 0.000 1.264 484 P CA 0.042 63.272 63.100 0.217 0.000 0.769 484 P CB 0.150 31.900 31.700 0.083 0.000 0.840 485 F N 3.897 123.879 119.950 0.054 0.000 2.443 485 F HA 0.593 5.120 4.527 0.001 0.000 0.369 485 F C -0.177 175.618 175.800 -0.009 0.000 1.090 485 F CA -0.857 57.153 58.000 0.016 0.000 1.129 485 F CB 0.529 39.525 39.000 -0.007 0.000 1.367 485 F HN 0.280 nan 8.300 nan 0.000 0.465 486 A N 7.163 129.827 122.820 -0.260 0.000 2.366 486 A HA 0.656 4.977 4.320 0.002 0.000 0.272 486 A C -0.357 177.102 177.584 -0.208 0.000 1.135 486 A CA -0.342 51.603 52.037 -0.154 0.000 0.804 486 A CB 0.049 18.986 19.000 -0.105 0.000 1.064 486 A HN 0.846 nan 8.150 nan 0.000 0.499 487 I N -1.371 119.149 120.570 -0.084 0.000 2.934 487 I HA 0.899 5.070 4.170 0.002 0.000 0.306 487 I C -0.716 175.357 176.117 -0.073 0.000 1.110 487 I CA -0.849 60.416 61.300 -0.059 0.000 1.019 487 I CB 2.397 40.396 38.000 -0.002 0.000 1.227 487 I HN 0.625 nan 8.210 nan 0.000 0.434 488 E N 3.618 123.780 120.200 -0.065 0.000 2.291 488 E HA 0.557 4.908 4.350 0.002 0.000 0.276 488 E C -1.978 174.479 176.600 -0.238 0.000 0.896 488 E CA -0.614 55.681 56.400 -0.175 0.000 0.774 488 E CB 2.198 31.819 29.700 -0.132 0.000 1.227 488 E HN 0.691 nan 8.360 nan 0.000 0.413 489 L N 4.458 125.452 121.223 -0.383 0.000 2.282 489 L HA 0.493 4.834 4.340 0.002 0.000 0.288 489 L C -0.989 175.614 176.870 -0.445 0.000 1.033 489 L CA -0.845 53.781 54.840 -0.357 0.000 0.807 489 L CB 0.719 42.526 42.059 -0.419 0.000 1.209 489 L HN 0.555 nan 8.230 nan 0.000 0.423 490 Y N 0.905 121.142 120.300 -0.105 0.000 2.352 490 Y HA 0.244 4.795 4.550 0.002 0.000 0.339 490 Y C 0.358 176.199 175.900 -0.098 0.000 0.992 490 Y CA -1.073 57.021 58.100 -0.011 0.000 1.100 490 Y CB 1.414 40.008 38.460 0.223 0.000 1.192 490 Y HN 0.629 nan 8.280 nan 0.000 0.458 491 D N 0.465 120.892 120.400 0.045 0.000 2.447 491 D HA -0.036 4.605 4.640 0.002 0.000 0.265 491 D C 0.824 177.071 176.300 -0.089 0.000 1.250 491 D CA -0.423 53.536 54.000 -0.067 0.000 1.046 491 D CB 0.430 41.206 40.800 -0.040 0.000 1.095 491 D HN 0.553 nan 8.370 nan 0.000 0.555 492 N N -0.368 118.058 118.700 -0.457 0.000 2.453 492 N HA -0.178 4.563 4.740 0.002 0.000 0.183 492 N C 0.623 176.046 175.510 -0.144 0.000 1.041 492 N CA 0.776 53.583 53.050 -0.406 0.000 0.900 492 N CB -0.366 37.568 38.487 -0.921 0.000 0.961 492 N HN 0.639 nan 8.380 nan 0.000 0.443 493 E N -0.393 119.713 120.200 -0.158 0.000 2.479 493 E HA 0.158 4.509 4.350 0.002 0.000 0.193 493 E C 0.413 176.853 176.600 -0.267 0.000 1.049 493 E CA 0.218 56.528 56.400 -0.150 0.000 0.870 493 E CB 0.010 29.654 29.700 -0.093 0.000 0.944 493 E HN 0.541 nan 8.360 nan 0.000 0.492 494 G N 2.216 110.901 108.800 -0.193 0.000 2.132 494 G HA2 -0.278 3.683 3.960 0.002 0.000 0.234 494 G HA3 -0.278 3.683 3.960 0.002 0.000 0.234 494 G C -0.052 174.933 174.900 0.142 0.000 0.989 494 G CA 0.024 44.955 45.100 -0.283 0.000 0.676 494 G HN 0.128 nan 8.290 nan 0.000 0.522 495 K N -0.053 120.440 120.400 0.156 0.000 2.123 495 K HA 0.611 4.931 4.320 0.002 0.000 0.259 495 K C 0.395 177.042 176.600 0.079 0.000 0.960 495 K CA -0.929 55.440 56.287 0.137 0.000 0.872 495 K CB 2.482 35.035 32.500 0.088 0.000 1.079 495 K HN 0.006 nan 8.250 nan 0.000 0.440 496 V N 3.885 123.773 119.914 -0.043 0.000 2.508 496 V HA 0.080 4.201 4.120 0.002 0.000 0.281 496 V C 0.376 176.406 176.094 -0.105 0.000 1.041 496 V CA -0.228 61.924 62.300 -0.247 0.000 1.016 496 V CB 0.189 31.856 31.823 -0.260 0.000 0.984 496 V HN 0.560 nan 8.190 nan 0.000 0.478 497 I N 7.805 128.271 120.570 -0.173 0.000 2.396 497 I HA 0.239 4.410 4.170 0.002 0.000 0.289 497 I C -1.980 174.094 176.117 -0.072 0.000 1.056 497 I CA -1.651 59.589 61.300 -0.101 0.000 1.365 497 I CB 0.913 38.726 38.000 -0.312 0.000 1.407 497 I HN 0.452 nan 8.210 nan 0.000 0.509 498 P HA 0.054 nan 4.420 nan 0.000 0.262 498 P C -0.657 176.662 177.300 0.032 0.000 1.182 498 P CA 0.068 63.187 63.100 0.032 0.000 0.761 498 P CB 0.347 32.095 31.700 0.079 0.000 0.795 499 L N 4.649 125.885 121.223 0.021 0.000 2.290 499 L HA 0.312 4.653 4.340 0.002 0.000 0.284 499 L C 0.850 177.840 176.870 0.200 0.000 1.078 499 L CA 0.130 55.017 54.840 0.078 0.000 0.815 499 L CB 0.213 42.287 42.059 0.024 0.000 1.162 499 L HN 0.524 nan 8.230 nan 0.000 0.435 500 Q N 3.423 123.398 119.800 0.291 0.000 2.534 500 Q HA 0.617 4.958 4.340 0.002 0.000 0.290 500 Q C -1.537 174.617 176.000 0.256 0.000 0.991 500 Q CA -1.220 54.729 55.803 0.242 0.000 0.783 500 Q CB 2.948 31.782 28.738 0.159 0.000 1.470 500 Q HN 0.328 nan 8.270 nan 0.000 0.406 501 K N -0.204 120.306 120.400 0.183 0.000 2.550 501 K HA 0.446 4.767 4.320 0.002 0.000 0.252 501 K C -0.165 176.501 176.600 0.110 0.000 0.943 501 K CA 0.054 56.415 56.287 0.125 0.000 0.806 501 K CB 1.694 34.237 32.500 0.070 0.000 1.289 501 K HN 1.035 nan 8.250 nan 0.000 0.435 502 G N 2.195 111.028 108.800 0.055 0.000 2.341 502 G HA2 -0.252 3.708 3.960 0.002 0.000 0.292 502 G HA3 -0.252 3.708 3.960 0.002 0.000 0.292 502 G C 0.753 175.551 174.900 -0.170 0.000 1.021 502 G CA 1.024 46.127 45.100 0.006 0.000 0.905 502 G HN 1.429 nan 8.290 nan 0.000 0.508 503 G N -2.166 106.538 108.800 -0.160 0.000 2.176 503 G HA2 -0.196 3.765 3.960 0.002 0.000 0.253 503 G HA3 -0.196 3.765 3.960 0.002 0.000 0.253 503 G C 0.096 174.784 174.900 -0.352 0.000 0.979 503 G CA 0.971 45.905 45.100 -0.277 0.000 0.641 503 G HN 1.537 nan 8.290 nan 0.000 0.530 504 H N 0.749 119.854 119.070 0.059 0.000 2.524 504 H HA 0.555 5.112 4.556 0.001 0.000 0.353 504 H C -2.410 172.966 175.328 0.080 0.000 1.136 504 H CA -2.049 54.035 56.048 0.060 0.000 1.193 504 H CB 1.602 31.395 29.762 0.051 0.000 1.558 504 H HN 0.095 nan 8.280 nan 0.000 0.515 505 P HA -0.021 nan 4.420 nan 0.000 0.268 505 P C -0.689 176.715 177.300 0.174 0.000 1.208 505 P CA -0.072 63.121 63.100 0.156 0.000 0.777 505 P CB 0.695 32.464 31.700 0.115 0.000 0.875 506 V N 2.707 122.734 119.914 0.188 0.000 2.540 506 V HA 0.242 4.363 4.120 0.002 0.000 0.302 506 V C 0.352 176.554 176.094 0.181 0.000 1.035 506 V CA -0.896 61.534 62.300 0.215 0.000 0.873 506 V CB 1.701 33.724 31.823 0.333 0.000 0.992 506 V HN 0.569 nan 8.190 nan 0.000 0.428 507 N N 2.191 120.983 118.700 0.153 0.000 2.412 507 N HA -0.050 4.691 4.740 0.002 0.000 0.254 507 N C 1.358 176.944 175.510 0.127 0.000 1.232 507 N CA 0.793 53.913 53.050 0.117 0.000 0.880 507 N CB 1.411 39.959 38.487 0.102 0.000 1.076 507 N HN 0.855 nan 8.380 nan 0.000 0.458 508 S N 1.674 117.417 115.700 0.072 0.000 2.561 508 S HA -0.004 4.467 4.470 0.002 0.000 0.225 508 S C 0.663 175.288 174.600 0.042 0.000 0.977 508 S CA -0.083 58.140 58.200 0.039 0.000 0.926 508 S CB 0.075 63.268 63.200 -0.011 0.000 0.769 508 S HN 0.268 nan 8.310 nan 0.000 0.533 509 V N 3.827 123.777 119.914 0.060 0.000 2.339 509 V HA 0.326 4.447 4.120 0.002 0.000 0.261 509 V C 0.060 176.221 176.094 0.113 0.000 1.058 509 V CA -0.517 61.824 62.300 0.068 0.000 0.897 509 V CB 0.300 32.156 31.823 0.054 0.000 1.052 509 V HN 0.455 nan 8.190 nan 0.000 0.480 510 L N 4.685 125.970 121.223 0.104 0.000 2.380 510 L HA 0.373 4.714 4.340 0.002 0.000 0.273 510 L C 0.609 177.581 176.870 0.170 0.000 1.138 510 L CA -0.203 54.660 54.840 0.038 0.000 0.832 510 L CB 0.350 42.183 42.059 -0.377 0.000 1.124 510 L HN 0.538 nan 8.230 nan 0.000 0.454 511 N N 2.899 121.762 118.700 0.273 0.000 2.521 511 N HA 0.124 4.865 4.740 0.002 0.000 0.236 511 N C -0.667 175.057 175.510 0.357 0.000 1.067 511 N CA -0.114 53.138 53.050 0.337 0.000 0.939 511 N CB 1.522 40.168 38.487 0.266 0.000 1.201 511 N HN 0.263 nan 8.380 nan 0.000 0.511 512 V N 2.590 122.705 119.914 0.334 0.000 2.322 512 V HA 0.082 4.203 4.120 0.002 0.000 0.258 512 V C 1.502 177.727 176.094 0.219 0.000 1.074 512 V CA 0.004 62.480 62.300 0.293 0.000 0.909 512 V CB 0.279 32.201 31.823 0.165 0.000 1.090 512 V HN 0.647 nan 8.190 nan 0.000 0.486 513 T N 0.623 115.276 114.554 0.166 0.000 2.985 513 T HA 0.255 4.606 4.350 0.002 0.000 0.254 513 T C 0.515 175.320 174.700 0.174 0.000 1.021 513 T CA -0.177 62.023 62.100 0.166 0.000 0.957 513 T CB 0.394 69.329 68.868 0.112 0.000 1.047 513 T HN 0.513 nan 8.240 nan 0.000 0.511 514 Q N 0.018 119.870 119.800 0.087 0.000 2.306 514 Q HA 0.745 5.086 4.340 0.002 0.000 0.269 514 Q C 1.163 177.175 176.000 0.019 0.000 1.053 514 Q CA -0.380 55.441 55.803 0.030 0.000 0.879 514 Q CB 1.775 30.503 28.738 -0.016 0.000 1.344 514 Q HN 0.163 nan 8.270 nan 0.000 0.464 515 A N 0.530 123.347 122.820 -0.006 0.000 1.933 515 A HA -0.143 4.178 4.320 0.002 0.000 0.218 515 A C 0.631 178.205 177.584 -0.017 0.000 1.175 515 A CA 1.541 53.569 52.037 -0.014 0.000 0.628 515 A CB 0.121 19.107 19.000 -0.024 0.000 0.814 515 A HN 0.671 nan 8.150 nan 0.000 0.444 516 E N -0.637 119.548 120.200 -0.025 0.000 2.321 516 E HA 0.395 4.746 4.350 0.002 0.000 0.278 516 E C -1.601 174.964 176.600 -0.058 0.000 0.902 516 E CA -0.662 55.718 56.400 -0.034 0.000 0.758 516 E CB 1.195 30.871 29.700 -0.041 0.000 1.213 516 E HN 0.504 nan 8.360 nan 0.000 0.426 517 Q N 1.003 120.763 119.800 -0.066 0.000 2.522 517 Q HA 0.413 4.754 4.340 0.002 0.000 0.285 517 Q C -1.247 174.642 176.000 -0.184 0.000 0.982 517 Q CA -0.910 54.791 55.803 -0.170 0.000 0.805 517 Q CB 1.725 30.312 28.738 -0.250 0.000 1.457 517 Q HN 0.533 nan 8.270 nan 0.000 0.394 518 T N -1.355 113.007 114.554 -0.320 0.000 2.918 518 T HA 0.815 5.166 4.350 0.002 0.000 0.286 518 T C -0.768 173.592 174.700 -0.567 0.000 1.026 518 T CA -0.481 61.466 62.100 -0.256 0.000 1.031 518 T CB 0.752 69.520 68.868 -0.167 0.000 1.046 518 T HN 0.398 nan 8.240 nan 0.000 0.479 519 F N 0.676 120.545 119.950 -0.135 0.000 2.539 519 F HA 0.604 5.132 4.527 0.001 0.000 0.318 519 F C -0.506 175.055 175.800 -0.397 0.000 1.135 519 F CA -1.102 56.737 58.000 -0.268 0.000 0.915 519 F CB 2.383 41.294 39.000 -0.149 0.000 1.176 519 F HN 0.402 nan 8.300 nan 0.000 0.440 520 V N 3.972 123.649 119.914 -0.395 0.000 2.459 520 V HA 0.483 4.604 4.120 0.002 0.000 0.295 520 V C -0.770 175.020 176.094 -0.507 0.000 1.029 520 V CA -0.928 61.197 62.300 -0.292 0.000 0.874 520 V CB 1.584 33.321 31.823 -0.144 0.000 0.985 520 V HN 0.487 nan 8.190 nan 0.000 0.438 521 F N 2.979 123.028 119.950 0.166 0.000 2.495 521 F HA 0.628 5.156 4.527 0.001 0.000 0.327 521 F C 0.165 176.056 175.800 0.151 0.000 1.103 521 F CA -0.899 57.205 58.000 0.173 0.000 0.949 521 F CB 1.691 40.821 39.000 0.217 0.000 1.142 521 F HN 0.652 nan 8.300 nan 0.000 0.457 522 D N -0.244 120.315 120.400 0.265 0.000 2.494 522 D HA 0.268 4.908 4.640 0.002 0.000 0.259 522 D C -0.079 176.337 176.300 0.194 0.000 1.109 522 D CA -0.847 53.266 54.000 0.189 0.000 1.040 522 D CB 0.432 41.298 40.800 0.111 0.000 1.175 522 D HN 0.540 nan 8.370 nan 0.000 0.584 523 N N -1.620 117.179 118.700 0.165 0.000 2.735 523 N HA -0.128 4.613 4.740 0.002 0.000 0.248 523 N C -0.860 174.783 175.510 0.222 0.000 1.083 523 N CA 0.436 53.599 53.050 0.188 0.000 0.703 523 N CB -0.990 37.599 38.487 0.169 0.000 1.005 523 N HN 0.280 nan 8.380 nan 0.000 0.550 524 V N 2.631 122.669 119.914 0.207 0.000 2.299 524 V HA 0.038 4.159 4.120 0.002 0.000 0.255 524 V C 1.136 177.322 176.094 0.154 0.000 1.100 524 V CA -0.353 62.017 62.300 0.116 0.000 0.938 524 V CB -0.506 31.455 31.823 0.230 0.000 1.139 524 V HN 0.310 nan 8.190 nan 0.000 0.490 525 Y N 2.799 123.213 120.300 0.190 0.000 2.561 525 Y HA 0.409 4.959 4.550 0.001 0.000 0.291 525 Y C 0.203 176.260 175.900 0.262 0.000 1.141 525 Y CA -0.584 57.639 58.100 0.204 0.000 1.303 525 Y CB -0.251 38.297 38.460 0.147 0.000 1.015 525 Y HN 0.381 nan 8.280 nan 0.000 0.547 526 F N 1.185 120.990 119.950 -0.242 0.000 2.613 526 F HA 0.344 4.872 4.527 0.001 0.000 0.310 526 F C -0.503 174.873 175.800 -0.706 0.000 1.085 526 F CA -1.866 55.983 58.000 -0.252 0.000 0.945 526 F CB 1.575 40.483 39.000 -0.153 0.000 1.298 526 F HN -0.181 nan 8.300 nan 0.000 0.455 527 Q N 5.988 125.010 119.800 -1.298 0.000 2.239 527 Q HA 0.189 4.530 4.340 0.002 0.000 0.286 527 Q C -2.386 173.289 176.000 -0.542 0.000 1.102 527 Q CA -1.385 53.630 55.803 -1.313 0.000 0.936 527 Q CB 0.576 28.770 28.738 -0.907 0.000 1.127 527 Q HN 0.169 nan 8.270 nan 0.000 0.380 528 P HA 0.091 nan 4.420 nan 0.000 0.281 528 P C -1.141 175.993 177.300 -0.277 0.000 1.249 528 P CA -0.383 62.460 63.100 -0.427 0.000 0.810 528 P CB 0.963 32.248 31.700 -0.692 0.000 1.008 529 V N 4.411 124.209 119.914 -0.193 0.000 2.385 529 V HA 0.277 4.398 4.120 0.002 0.000 0.269 529 V C -1.833 174.323 176.094 0.103 0.000 1.043 529 V CA -1.616 60.639 62.300 -0.074 0.000 0.906 529 V CB 0.768 32.416 31.823 -0.292 0.000 0.995 529 V HN 0.593 nan 8.190 nan 0.000 0.467 530 P HA 0.432 nan 4.420 nan 0.000 0.282 530 P C -0.868 176.638 177.300 0.343 0.000 1.249 530 P CA -0.468 62.718 63.100 0.144 0.000 0.806 530 P CB 1.683 33.407 31.700 0.039 0.000 0.984 531 A N 4.392 127.410 122.820 0.329 0.000 2.260 531 A HA 0.612 4.933 4.320 0.002 0.000 0.314 531 A C -0.259 177.449 177.584 0.206 0.000 1.257 531 A CA -0.675 51.556 52.037 0.323 0.000 0.871 531 A CB -0.046 19.168 19.000 0.357 0.000 1.166 531 A HN 0.511 nan 8.150 nan 0.000 0.522 532 L N 2.095 123.463 121.223 0.242 0.000 2.334 532 L HA 0.507 4.848 4.340 0.002 0.000 0.273 532 L C 0.120 176.940 176.870 -0.083 0.000 1.013 532 L CA -1.071 53.806 54.840 0.063 0.000 0.816 532 L CB 1.629 43.787 42.059 0.165 0.000 1.278 532 L HN 0.727 nan 8.230 nan 0.000 0.431 533 L N 2.168 123.014 121.223 -0.628 0.000 3.660 533 L HA -0.226 4.115 4.340 0.002 0.000 0.440 533 L C -0.259 176.550 176.870 -0.102 0.000 1.262 533 L CA 0.233 54.775 54.840 -0.498 0.000 0.837 533 L CB -1.144 40.816 42.059 -0.165 0.000 1.689 533 L HN 0.692 nan 8.230 nan 0.000 0.890 534 C N 1.438 120.680 119.300 -0.096 0.000 2.642 534 C HA 0.136 4.597 4.460 0.002 0.000 0.420 534 C C 1.825 176.819 174.990 0.006 0.000 1.349 534 C CA 0.318 59.372 59.018 0.060 0.000 1.821 534 C CB -0.054 27.714 27.740 0.047 0.000 2.637 534 C HN 0.835 nan 8.230 nan 0.000 0.605 535 E N 0.535 120.741 120.200 0.009 0.000 2.539 535 E HA -0.290 4.061 4.350 0.002 0.000 0.253 535 E C 0.088 176.424 176.600 -0.439 0.000 1.145 535 E CA 0.626 56.735 56.400 -0.486 0.000 0.738 535 E CB -1.301 28.244 29.700 -0.259 0.000 1.308 535 E HN 0.814 nan 8.360 nan 0.000 0.409 536 F N -0.349 119.410 119.950 -0.318 0.000 2.797 536 F HA -0.292 4.236 4.527 0.002 0.000 0.273 536 F C 1.299 177.036 175.800 -0.106 0.000 1.020 536 F CA 0.923 58.859 58.000 -0.108 0.000 0.961 536 F CB -1.458 37.473 39.000 -0.114 0.000 1.020 536 F HN 0.198 nan 8.300 nan 0.000 0.840 537 S N 0.376 115.957 115.700 -0.198 0.000 2.515 537 S HA 0.571 5.042 4.470 0.002 0.000 0.231 537 S C 0.840 175.307 174.600 -0.221 0.000 0.987 537 S CA 0.408 58.499 58.200 -0.181 0.000 0.936 537 S CB 0.231 63.345 63.200 -0.144 0.000 0.766 537 S HN 1.505 nan 8.310 nan 0.000 0.528 538 A N 1.665 124.275 122.820 -0.350 0.000 2.515 538 A HA 0.703 5.024 4.320 0.002 0.000 0.298 538 A C -3.145 174.064 177.584 -0.624 0.000 1.059 538 A CA -1.918 49.916 52.037 -0.338 0.000 0.698 538 A CB 1.186 20.177 19.000 -0.015 0.000 1.289 538 A HN 0.131 nan 8.150 nan 0.000 0.404 539 P HA 0.335 nan 4.420 nan 0.000 0.238 539 P C -0.406 176.978 177.300 0.140 0.000 1.794 539 P CA 0.207 63.174 63.100 -0.221 0.000 1.088 539 P CB -0.170 31.565 31.700 0.058 0.000 1.923 540 V N -0.224 119.752 119.914 0.103 0.000 3.130 540 V HA 0.594 4.715 4.120 0.002 0.000 0.310 540 V C -0.486 175.815 176.094 0.345 0.000 1.158 540 V CA -1.566 60.843 62.300 0.181 0.000 1.029 540 V CB 2.509 34.440 31.823 0.181 0.000 1.057 540 V HN -0.026 nan 8.190 nan 0.000 0.436 541 K N 2.077 122.588 120.400 0.185 0.000 2.234 541 K HA 0.629 4.950 4.320 0.002 0.000 0.282 541 K C -0.916 175.842 176.600 0.265 0.000 1.039 541 K CA -0.445 56.007 56.287 0.275 0.000 0.928 541 K CB 1.526 34.102 32.500 0.126 0.000 1.039 541 K HN 0.660 nan 8.250 nan 0.000 0.470 542 L N 2.936 124.356 121.223 0.328 0.000 2.264 542 L HA 0.217 4.557 4.340 0.002 0.000 0.289 542 L C -0.823 176.211 176.870 0.272 0.000 1.044 542 L CA 0.184 55.221 54.840 0.329 0.000 0.807 542 L CB 0.957 43.263 42.059 0.412 0.000 1.192 542 L HN 0.562 nan 8.230 nan 0.000 0.425 543 E N 5.412 125.737 120.200 0.208 0.000 2.102 543 E HA 0.280 4.631 4.350 0.002 0.000 0.263 543 E C -1.845 174.840 176.600 0.141 0.000 0.894 543 E CA -0.337 56.151 56.400 0.147 0.000 0.746 543 E CB 1.296 31.044 29.700 0.080 0.000 1.129 543 E HN 0.550 nan 8.360 nan 0.000 0.416 544 Y N 1.601 121.859 120.300 -0.070 0.000 2.470 544 Y HA 0.224 4.775 4.550 0.002 0.000 0.341 544 Y C -0.857 174.835 175.900 -0.348 0.000 1.021 544 Y CA -1.072 56.850 58.100 -0.295 0.000 1.025 544 Y CB 1.450 39.569 38.460 -0.568 0.000 1.266 544 Y HN 0.189 nan 8.280 nan 0.000 0.448 545 K N 6.462 126.317 120.400 -0.908 0.000 2.155 545 K HA 0.136 4.457 4.320 0.002 0.000 0.240 545 K C -1.239 175.065 176.600 -0.493 0.000 1.193 545 K CA -0.225 55.742 56.287 -0.534 0.000 1.104 545 K CB -0.011 32.250 32.500 -0.398 0.000 1.558 545 K HN 0.636 nan 8.250 nan 0.000 0.313 546 W N 1.645 122.917 121.300 -0.045 0.000 2.158 546 W HA -0.027 4.634 4.660 0.001 0.000 0.339 546 W C 1.094 177.647 176.519 0.058 0.000 1.294 546 W CA -0.493 56.936 57.345 0.140 0.000 1.231 546 W CB 0.533 30.118 29.460 0.208 0.000 1.143 546 W HN 0.384 nan 8.180 nan 0.000 0.571 547 S N 0.881 116.790 115.700 0.349 0.000 2.632 547 S HA 0.145 4.616 4.470 0.002 0.000 0.271 547 S C 0.609 175.352 174.600 0.237 0.000 1.260 547 S CA -0.668 57.666 58.200 0.223 0.000 1.010 547 S CB 1.463 64.752 63.200 0.149 0.000 0.965 547 S HN 0.517 nan 8.310 nan 0.000 0.534 548 D N 1.019 121.538 120.400 0.199 0.000 2.149 548 D HA -0.105 4.536 4.640 0.002 0.000 0.198 548 D C 1.961 178.342 176.300 0.135 0.000 0.990 548 D CA 1.591 55.715 54.000 0.208 0.000 0.839 548 D CB -0.232 40.764 40.800 0.327 0.000 0.948 548 D HN 0.706 nan 8.370 nan 0.000 0.460 549 Q N -0.060 119.795 119.800 0.093 0.000 2.123 549 Q HA -0.089 4.252 4.340 0.002 0.000 0.199 549 Q C 2.200 178.279 176.000 0.132 0.000 0.966 549 Q CA 0.712 56.563 55.803 0.079 0.000 0.845 549 Q CB -0.019 28.740 28.738 0.035 0.000 0.907 549 Q HN 0.424 nan 8.270 nan 0.000 0.439 550 Q N 0.370 120.264 119.800 0.156 0.000 2.096 550 Q HA -0.173 4.168 4.340 0.002 0.000 0.204 550 Q C 2.118 178.204 176.000 0.143 0.000 0.982 550 Q CA 1.183 57.103 55.803 0.195 0.000 0.850 550 Q CB -0.109 28.862 28.738 0.389 0.000 0.901 550 Q HN 0.383 nan 8.270 nan 0.000 0.422 551 L N 0.113 121.359 121.223 0.040 0.000 2.056 551 L HA -0.149 4.192 4.340 0.002 0.000 0.207 551 L C 2.775 179.588 176.870 -0.096 0.000 1.078 551 L CA 1.565 56.315 54.840 -0.150 0.000 0.749 551 L CB -0.925 41.009 42.059 -0.209 0.000 0.901 551 L HN 0.392 nan 8.230 nan 0.000 0.433 552 T N -2.584 111.960 114.554 -0.016 0.000 2.867 552 T HA -0.229 4.122 4.350 0.002 0.000 0.268 552 T C 1.755 176.444 174.700 -0.017 0.000 1.057 552 T CA 0.866 62.936 62.100 -0.051 0.000 1.136 552 T CB -0.710 68.150 68.868 -0.015 0.000 0.874 552 T HN 0.263 nan 8.240 nan 0.000 0.466 553 F N 2.055 121.966 119.950 -0.065 0.000 2.095 553 F HA 0.053 4.581 4.527 0.001 0.000 0.298 553 F C 1.998 177.745 175.800 -0.088 0.000 1.104 553 F CA 1.231 59.224 58.000 -0.010 0.000 1.232 553 F CB -0.317 38.708 39.000 0.041 0.000 0.987 553 F HN 0.059 nan 8.300 nan 0.000 0.475 554 L N -0.267 121.014 121.223 0.097 0.000 2.083 554 L HA -0.271 4.070 4.340 0.002 0.000 0.209 554 L C 2.554 179.276 176.870 -0.246 0.000 1.083 554 L CA 1.477 56.239 54.840 -0.130 0.000 0.752 554 L CB -0.673 41.304 42.059 -0.137 0.000 0.899 554 L HN 0.263 nan 8.230 nan 0.000 0.433 555 M N -0.987 118.470 119.600 -0.239 0.000 2.149 555 M HA -0.250 4.231 4.480 0.002 0.000 0.261 555 M C 2.454 178.571 176.300 -0.304 0.000 1.064 555 M CA 1.740 56.879 55.300 -0.269 0.000 1.102 555 M CB -0.295 32.131 32.600 -0.291 0.000 1.369 555 M HN 0.161 nan 8.290 nan 0.000 0.408 556 R N -1.158 119.103 120.500 -0.398 0.000 2.090 556 R HA -0.048 4.293 4.340 0.002 0.000 0.219 556 R C 1.752 177.635 176.300 -0.694 0.000 1.100 556 R CA 0.939 56.695 56.100 -0.574 0.000 0.991 556 R CB 0.215 30.069 30.300 -0.744 0.000 0.893 556 R HN 0.430 nan 8.270 nan 0.000 0.443 557 H N -0.969 117.786 119.070 -0.525 0.000 2.750 557 H HA 0.300 4.857 4.556 0.002 0.000 0.263 557 H C 0.048 175.093 175.328 -0.471 0.000 0.964 557 H CA 0.352 56.064 56.048 -0.560 0.000 1.205 557 H CB 0.484 29.673 29.762 -0.954 0.000 1.454 557 H HN 0.150 nan 8.280 nan 0.000 0.503 558 A N 1.708 124.307 122.820 -0.369 0.000 2.540 558 A HA 0.011 4.332 4.320 0.002 0.000 0.239 558 A C 1.605 179.184 177.584 -0.009 0.000 1.061 558 A CA -0.103 51.760 52.037 -0.290 0.000 0.758 558 A CB 0.400 19.298 19.000 -0.170 0.000 0.991 558 A HN 0.311 nan 8.150 nan 0.000 0.502 559 R N 1.132 121.756 120.500 0.206 0.000 2.081 559 R HA -0.097 4.244 4.340 0.002 0.000 0.235 559 R C 0.497 176.862 176.300 0.109 0.000 1.131 559 R CA 1.089 57.291 56.100 0.171 0.000 0.960 559 R CB -0.031 30.393 30.300 0.206 0.000 0.856 559 R HN 0.850 nan 8.270 nan 0.000 0.436 560 N N 0.997 119.775 118.700 0.130 0.000 2.434 560 N HA -0.032 4.709 4.740 0.002 0.000 0.272 560 N C -0.289 175.289 175.510 0.113 0.000 1.040 560 N CA -0.045 53.079 53.050 0.123 0.000 0.956 560 N CB 1.495 40.079 38.487 0.161 0.000 1.108 560 N HN -0.048 nan 8.380 nan 0.000 0.481 561 D N 2.183 122.636 120.400 0.088 0.000 2.190 561 D HA -0.198 4.443 4.640 0.002 0.000 0.200 561 D C 1.354 177.722 176.300 0.113 0.000 0.992 561 D CA 1.086 55.127 54.000 0.068 0.000 0.854 561 D CB -0.153 40.671 40.800 0.041 0.000 0.936 561 D HN 0.621 nan 8.370 nan 0.000 0.462 562 F N 1.194 121.176 119.950 0.055 0.000 2.134 562 F HA -0.191 4.337 4.527 0.002 0.000 0.299 562 F C 2.312 178.221 175.800 0.180 0.000 1.097 562 F CA 1.207 59.272 58.000 0.108 0.000 1.264 562 F CB -0.078 38.967 39.000 0.075 0.000 1.001 562 F HN -0.177 nan 8.300 nan 0.000 0.479 563 S N 0.430 116.242 115.700 0.186 0.000 2.402 563 S HA -0.137 4.334 4.470 0.002 0.000 0.229 563 S C 1.923 176.464 174.600 -0.099 0.000 1.021 563 S CA 1.119 59.362 58.200 0.072 0.000 0.974 563 S CB -0.284 62.999 63.200 0.139 0.000 0.800 563 S HN 0.410 nan 8.310 nan 0.000 0.484 564 R N -0.367 120.087 120.500 -0.076 0.000 2.066 564 R HA -0.112 4.229 4.340 0.002 0.000 0.232 564 R C 2.135 178.347 176.300 -0.146 0.000 1.131 564 R CA 1.591 57.614 56.100 -0.128 0.000 0.955 564 R CB -0.361 29.882 30.300 -0.094 0.000 0.851 564 R HN 0.532 nan 8.270 nan 0.000 0.432 565 W N 2.301 123.426 121.300 -0.292 0.000 2.358 565 W HA -0.200 4.461 4.660 0.001 0.000 0.303 565 W C 1.672 177.968 176.519 -0.371 0.000 1.208 565 W CA 1.734 58.894 57.345 -0.308 0.000 1.274 565 W CB -0.306 28.963 29.460 -0.317 0.000 1.138 565 W HN 0.018 nan 8.180 nan 0.000 0.515 566 D N -0.090 120.008 120.400 -0.503 0.000 2.144 566 D HA -0.152 4.489 4.640 0.002 0.000 0.200 566 D C 2.284 178.263 176.300 -0.534 0.000 0.978 566 D CA 1.964 55.571 54.000 -0.654 0.000 0.833 566 D CB -0.572 39.947 40.800 -0.468 0.000 0.961 566 D HN 0.147 nan 8.370 nan 0.000 0.470 567 A N 0.625 123.181 122.820 -0.441 0.000 1.908 567 A HA -0.046 4.275 4.320 0.002 0.000 0.218 567 A C 2.374 179.708 177.584 -0.417 0.000 1.181 567 A CA 2.329 54.090 52.037 -0.461 0.000 0.627 567 A CB -1.031 17.736 19.000 -0.389 0.000 0.818 567 A HN 0.287 nan 8.150 nan 0.000 0.445 568 A N -1.193 121.377 122.820 -0.417 0.000 1.972 568 A HA -0.183 4.138 4.320 0.002 0.000 0.219 568 A C 2.101 179.504 177.584 -0.302 0.000 1.169 568 A CA 1.747 53.577 52.037 -0.345 0.000 0.635 568 A CB -0.405 18.381 19.000 -0.356 0.000 0.810 568 A HN 0.514 nan 8.150 nan 0.000 0.446 569 Q N 0.008 119.474 119.800 -0.556 0.000 2.079 569 Q HA -0.068 4.273 4.340 0.002 0.000 0.200 569 Q C 2.405 178.237 176.000 -0.280 0.000 0.974 569 Q CA 1.726 57.225 55.803 -0.506 0.000 0.840 569 Q CB -0.857 27.376 28.738 -0.842 0.000 0.898 569 Q HN 0.624 nan 8.270 nan 0.000 0.430 570 S N 1.374 116.901 115.700 -0.288 0.000 2.382 570 S HA -0.120 4.351 4.470 0.002 0.000 0.228 570 S C 1.914 176.449 174.600 -0.108 0.000 1.027 570 S CA 0.833 58.922 58.200 -0.185 0.000 0.991 570 S CB -0.288 62.713 63.200 -0.331 0.000 0.823 570 S HN 0.217 nan 8.310 nan 0.000 0.469 571 L N 1.407 122.565 121.223 -0.108 0.000 2.017 571 L HA -0.029 4.312 4.340 0.002 0.000 0.208 571 L C 1.966 178.937 176.870 0.169 0.000 1.073 571 L CA 1.579 56.451 54.840 0.054 0.000 0.745 571 L CB -0.708 41.381 42.059 0.050 0.000 0.894 571 L HN 0.187 nan 8.230 nan 0.000 0.432 572 L N -0.278 121.016 121.223 0.117 0.000 2.083 572 L HA -0.090 4.251 4.340 0.002 0.000 0.209 572 L C 2.687 179.593 176.870 0.059 0.000 1.083 572 L CA 1.887 56.804 54.840 0.128 0.000 0.752 572 L CB -1.702 40.390 42.059 0.055 0.000 0.899 572 L HN 0.375 nan 8.230 nan 0.000 0.433 573 A N -1.377 121.430 122.820 -0.021 0.000 1.892 573 A HA -0.280 4.041 4.320 0.002 0.000 0.218 573 A C 2.345 179.866 177.584 -0.106 0.000 1.188 573 A CA 2.525 54.522 52.037 -0.068 0.000 0.631 573 A CB -1.101 17.854 19.000 -0.075 0.000 0.822 573 A HN 0.441 nan 8.150 nan 0.000 0.447 574 T N -1.238 113.224 114.554 -0.154 0.000 2.699 574 T HA -0.191 4.160 4.350 0.002 0.000 0.268 574 T C 1.656 176.082 174.700 -0.456 0.000 1.036 574 T CA 2.073 63.965 62.100 -0.347 0.000 1.147 574 T CB -0.442 68.120 68.868 -0.511 0.000 0.862 574 T HN 0.610 nan 8.240 nan 0.000 0.446 575 Y N 0.157 120.467 120.300 0.016 0.000 2.475 575 Y HA 0.289 4.840 4.550 0.001 0.000 0.289 575 Y C 2.053 177.970 175.900 0.029 0.000 1.121 575 Y CA -0.342 57.767 58.100 0.016 0.000 1.257 575 Y CB -0.463 37.994 38.460 -0.004 0.000 1.026 575 Y HN 0.198 nan 8.280 nan 0.000 0.555 576 I N 0.018 120.655 120.570 0.112 0.000 2.202 576 I HA -0.291 3.880 4.170 0.002 0.000 0.242 576 I C 2.214 178.453 176.117 0.204 0.000 1.091 576 I CA 1.447 62.824 61.300 0.128 0.000 1.368 576 I CB -0.290 37.768 38.000 0.096 0.000 1.058 576 I HN 0.085 nan 8.210 nan 0.000 0.410 577 K N 0.370 120.832 120.400 0.104 0.000 2.032 577 K HA -0.229 4.092 4.320 0.002 0.000 0.209 577 K C 2.128 178.835 176.600 0.177 0.000 1.048 577 K CA 1.482 57.863 56.287 0.157 0.000 0.927 577 K CB -0.454 31.992 32.500 -0.089 0.000 0.712 577 K HN 0.131 nan 8.250 nan 0.000 0.441 578 L N 2.133 123.400 121.223 0.073 0.000 1.990 578 L HA -0.234 4.106 4.340 0.002 0.000 0.213 578 L C 1.600 178.543 176.870 0.122 0.000 1.072 578 L CA 1.876 56.767 54.840 0.085 0.000 0.755 578 L CB -0.544 41.566 42.059 0.086 0.000 0.889 578 L HN 0.193 nan 8.230 nan 0.000 0.432 579 N N -0.886 117.896 118.700 0.137 0.000 2.396 579 N HA -0.091 4.650 4.740 0.002 0.000 0.180 579 N C 1.839 177.417 175.510 0.114 0.000 1.028 579 N CA 1.354 54.476 53.050 0.120 0.000 0.893 579 N CB -0.048 38.502 38.487 0.105 0.000 0.967 579 N HN 0.302 nan 8.380 nan 0.000 0.440 580 V N 1.742 121.728 119.914 0.121 0.000 2.358 580 V HA -0.182 3.939 4.120 0.002 0.000 0.246 580 V C 2.483 178.610 176.094 0.055 0.000 1.047 580 V CA 1.750 64.069 62.300 0.032 0.000 1.035 580 V CB -0.768 30.983 31.823 -0.119 0.000 0.658 580 V HN 0.250 nan 8.190 nan 0.000 0.452 581 A N -0.052 122.826 122.820 0.096 0.000 1.902 581 A HA -0.242 4.079 4.320 0.002 0.000 0.217 581 A C 2.356 179.982 177.584 0.070 0.000 1.181 581 A CA 1.906 53.990 52.037 0.078 0.000 0.623 581 A CB -0.487 18.566 19.000 0.088 0.000 0.818 581 A HN 0.519 nan 8.150 nan 0.000 0.443 582 R N -1.608 118.940 120.500 0.081 0.000 2.081 582 R HA -0.141 4.200 4.340 0.002 0.000 0.235 582 R C 2.348 178.685 176.300 0.061 0.000 1.131 582 R CA 1.323 57.462 56.100 0.065 0.000 0.960 582 R CB -0.622 29.720 30.300 0.070 0.000 0.856 582 R HN 0.774 nan 8.270 nan 0.000 0.436 583 H N 1.521 120.591 119.070 -0.000 0.000 2.353 583 H HA -0.156 4.401 4.556 0.002 0.000 0.298 583 H C 1.670 176.987 175.328 -0.018 0.000 1.103 583 H CA 1.913 57.954 56.048 -0.013 0.000 1.293 583 H CB 0.200 29.946 29.762 -0.026 0.000 1.372 583 H HN 0.316 nan 8.280 nan 0.000 0.501 584 Q N -0.292 119.557 119.800 0.081 0.000 2.226 584 Q HA -0.109 4.232 4.340 0.002 0.000 0.204 584 Q C 1.114 177.094 176.000 -0.033 0.000 0.975 584 Q CA 0.857 56.674 55.803 0.024 0.000 0.866 584 Q CB 0.206 28.966 28.738 0.038 0.000 0.915 584 Q HN 0.458 nan 8.270 nan 0.000 0.440 585 Q N -0.767 119.014 119.800 -0.030 0.000 2.201 585 Q HA 0.182 4.523 4.340 0.002 0.000 0.236 585 Q C 0.438 176.404 176.000 -0.057 0.000 0.857 585 Q CA 0.366 56.150 55.803 -0.033 0.000 1.025 585 Q CB 0.999 29.732 28.738 -0.008 0.000 1.124 585 Q HN 0.473 nan 8.270 nan 0.000 0.473 586 G N 1.397 110.127 108.800 -0.115 0.000 2.179 586 G HA2 -0.315 3.646 3.960 0.002 0.000 0.257 586 G HA3 -0.315 3.646 3.960 0.002 0.000 0.257 586 G C -0.054 174.796 174.900 -0.084 0.000 1.010 586 G CA 0.354 45.374 45.100 -0.133 0.000 0.736 586 G HN 0.378 nan 8.290 nan 0.000 0.513 587 Q N 0.306 120.072 119.800 -0.056 0.000 2.274 587 Q HA 0.578 4.919 4.340 0.002 0.000 0.260 587 Q C -1.967 174.034 176.000 0.002 0.000 0.974 587 Q CA -1.889 53.904 55.803 -0.017 0.000 0.876 587 Q CB 2.331 31.070 28.738 0.002 0.000 1.297 587 Q HN 0.288 nan 8.270 nan 0.000 0.446 588 P HA 0.051 nan 4.420 nan 0.000 0.277 588 P C -0.719 176.601 177.300 0.032 0.000 1.271 588 P CA -0.671 62.442 63.100 0.021 0.000 0.795 588 P CB 0.671 32.378 31.700 0.012 0.000 1.101 589 L N 0.558 121.801 121.223 0.033 0.000 2.540 589 L HA 0.087 4.428 4.340 0.002 0.000 0.276 589 L C 0.517 177.397 176.870 0.017 0.000 1.212 589 L CA 1.073 55.930 54.840 0.029 0.000 0.893 589 L CB -0.038 42.028 42.059 0.011 0.000 1.138 589 L HN 0.355 nan 8.230 nan 0.000 0.491 590 S N 5.099 120.816 115.700 0.029 0.000 2.478 590 S HA 0.751 5.222 4.470 0.002 0.000 0.312 590 S C -1.104 173.487 174.600 -0.016 0.000 1.094 590 S CA -0.687 57.522 58.200 0.015 0.000 1.081 590 S CB 0.923 64.152 63.200 0.048 0.000 1.007 590 S HN 0.553 nan 8.310 nan 0.000 0.475 591 L N 6.341 127.505 121.223 -0.100 0.000 2.516 591 L HA 0.608 4.949 4.340 0.002 0.000 0.267 591 L C -2.598 174.087 176.870 -0.309 0.000 0.957 591 L CA -1.223 53.464 54.840 -0.255 0.000 0.860 591 L CB 1.823 43.748 42.059 -0.223 0.000 1.265 591 L HN 0.489 nan 8.230 nan 0.000 0.403 592 P HA 0.129 nan 4.420 nan 0.000 0.267 592 P C 0.971 178.033 177.300 -0.397 0.000 1.200 592 P CA -0.414 62.423 63.100 -0.438 0.000 0.772 592 P CB 0.845 32.103 31.700 -0.738 0.000 0.855 593 V N 2.356 122.142 119.914 -0.213 0.000 2.324 593 V HA -0.297 3.824 4.120 0.002 0.000 0.250 593 V C 2.288 178.316 176.094 -0.109 0.000 1.060 593 V CA 2.308 64.537 62.300 -0.119 0.000 1.042 593 V CB -1.534 30.270 31.823 -0.031 0.000 0.650 593 V HN 0.783 nan 8.190 nan 0.000 0.450 594 H N -0.901 118.140 119.070 -0.048 0.000 2.489 594 H HA -0.058 4.499 4.556 0.002 0.000 0.293 594 H C 2.160 177.467 175.328 -0.035 0.000 1.066 594 H CA 1.728 57.756 56.048 -0.032 0.000 1.305 594 H CB -0.588 29.167 29.762 -0.012 0.000 1.386 594 H HN 0.366 nan 8.280 nan 0.000 0.551 595 V N 1.829 121.532 119.914 -0.352 0.000 2.323 595 V HA -0.169 3.952 4.120 0.002 0.000 0.244 595 V C 3.202 179.325 176.094 0.049 0.000 1.041 595 V CA 1.554 63.763 62.300 -0.151 0.000 1.025 595 V CB -1.022 30.573 31.823 -0.381 0.000 0.656 595 V HN 0.629 nan 8.190 nan 0.000 0.451 596 A N -0.061 122.730 122.820 -0.049 0.000 1.933 596 A HA -0.253 4.068 4.320 0.002 0.000 0.218 596 A C 1.962 179.576 177.584 0.050 0.000 1.175 596 A CA 1.994 54.036 52.037 0.008 0.000 0.628 596 A CB -0.636 18.318 19.000 -0.077 0.000 0.814 596 A HN 0.536 nan 8.150 nan 0.000 0.444 597 D N 0.223 120.630 120.400 0.013 0.000 2.149 597 D HA -0.094 4.547 4.640 0.002 0.000 0.198 597 D C 2.234 178.523 176.300 -0.018 0.000 0.990 597 D CA 1.484 55.487 54.000 0.005 0.000 0.839 597 D CB -0.479 40.330 40.800 0.015 0.000 0.948 597 D HN 0.432 nan 8.370 nan 0.000 0.460 598 A N 0.262 123.062 122.820 -0.033 0.000 1.917 598 A HA -0.201 4.120 4.320 0.002 0.000 0.219 598 A C 2.076 179.469 177.584 -0.319 0.000 1.182 598 A CA 1.268 53.192 52.037 -0.189 0.000 0.633 598 A CB -1.039 17.805 19.000 -0.260 0.000 0.819 598 A HN 0.200 nan 8.150 nan 0.000 0.448 599 F N -0.814 119.077 119.950 -0.099 0.000 2.259 599 F HA 0.006 4.534 4.527 0.002 0.000 0.298 599 F C 2.406 178.137 175.800 -0.114 0.000 1.088 599 F CA 1.337 59.269 58.000 -0.113 0.000 1.358 599 F CB -0.247 38.665 39.000 -0.148 0.000 1.040 599 F HN 0.149 nan 8.300 nan 0.000 0.505 600 R N 0.796 121.320 120.500 0.040 0.000 2.083 600 R HA -0.182 4.159 4.340 0.002 0.000 0.237 600 R C 2.372 178.649 176.300 -0.038 0.000 1.137 600 R CA 1.386 57.479 56.100 -0.012 0.000 0.951 600 R CB -0.528 29.761 30.300 -0.019 0.000 0.851 600 R HN 0.262 nan 8.270 nan 0.000 0.434 601 A N 0.280 123.061 122.820 -0.066 0.000 1.908 601 A HA -0.137 4.184 4.320 0.002 0.000 0.218 601 A C 2.272 179.798 177.584 -0.096 0.000 1.181 601 A CA 1.786 53.770 52.037 -0.089 0.000 0.627 601 A CB -0.600 18.330 19.000 -0.118 0.000 0.818 601 A HN 0.246 nan 8.150 nan 0.000 0.445 602 V N -0.121 119.724 119.914 -0.115 0.000 2.343 602 V HA -0.254 3.867 4.120 0.002 0.000 0.247 602 V C 2.543 178.614 176.094 -0.039 0.000 1.051 602 V CA 1.909 64.153 62.300 -0.094 0.000 1.036 602 V CB -0.753 31.004 31.823 -0.110 0.000 0.654 602 V HN 0.571 nan 8.190 nan 0.000 0.451 603 L N -0.739 120.474 121.223 -0.017 0.000 2.083 603 L HA -0.149 4.192 4.340 0.002 0.000 0.209 603 L C 2.056 178.921 176.870 -0.009 0.000 1.083 603 L CA 1.526 56.366 54.840 0.000 0.000 0.752 603 L CB -0.243 41.815 42.059 -0.001 0.000 0.899 603 L HN 0.318 nan 8.230 nan 0.000 0.433 604 L N -1.372 119.836 121.223 -0.024 0.000 2.607 604 L HA 0.089 4.430 4.340 0.002 0.000 0.228 604 L C 0.362 177.212 176.870 -0.033 0.000 1.123 604 L CA -0.316 54.510 54.840 -0.023 0.000 0.890 604 L CB -0.165 41.879 42.059 -0.024 0.000 1.103 604 L HN 0.086 nan 8.230 nan 0.000 0.468 605 D N 1.486 121.860 120.400 -0.044 0.000 2.338 605 D HA -0.009 4.632 4.640 0.002 0.000 0.255 605 D C 0.812 177.088 176.300 -0.040 0.000 1.237 605 D CA 0.270 54.237 54.000 -0.054 0.000 0.883 605 D CB 1.059 41.814 40.800 -0.076 0.000 1.087 605 D HN 0.233 nan 8.370 nan 0.000 0.485 606 E N 2.326 122.504 120.200 -0.036 0.000 2.435 606 E HA -0.046 4.305 4.350 0.002 0.000 0.195 606 E C 1.119 177.701 176.600 -0.030 0.000 1.029 606 E CA 0.446 56.829 56.400 -0.028 0.000 0.865 606 E CB 0.540 30.227 29.700 -0.023 0.000 0.833 606 E HN 0.431 nan 8.360 nan 0.000 0.510 607 K N 0.510 120.887 120.400 -0.039 0.000 2.284 607 K HA 0.141 4.462 4.320 0.002 0.000 0.198 607 K C 0.951 177.528 176.600 -0.039 0.000 1.048 607 K CA -0.124 56.140 56.287 -0.038 0.000 0.987 607 K CB 0.476 32.949 32.500 -0.045 0.000 0.800 607 K HN 0.048 nan 8.250 nan 0.000 0.486 608 I N 2.773 123.315 120.570 -0.046 0.000 2.752 608 I HA -0.114 4.057 4.170 0.002 0.000 0.289 608 I C 0.043 176.143 176.117 -0.028 0.000 1.197 608 I CA -0.037 61.237 61.300 -0.043 0.000 1.432 608 I CB 0.390 38.360 38.000 -0.051 0.000 1.359 608 I HN 0.121 nan 8.210 nan 0.000 0.571 609 D N 10.270 130.656 120.400 -0.024 0.000 2.487 609 D HA 0.012 4.653 4.640 0.002 0.000 0.243 609 D C -1.530 174.763 176.300 -0.012 0.000 1.154 609 D CA -1.694 52.295 54.000 -0.018 0.000 0.876 609 D CB 1.205 41.994 40.800 -0.018 0.000 1.161 609 D HN 0.296 nan 8.370 nan 0.000 0.478 610 P HA -0.150 nan 4.420 nan 0.000 0.219 610 P C 0.962 178.265 177.300 0.004 0.000 1.146 610 P CA 1.282 64.382 63.100 -0.000 0.000 0.808 610 P CB 0.058 31.754 31.700 -0.006 0.000 0.779 611 A N -0.158 122.659 122.820 -0.006 0.000 1.908 611 A HA -0.183 4.138 4.320 0.002 0.000 0.218 611 A C 2.196 179.773 177.584 -0.011 0.000 1.181 611 A CA 1.667 53.697 52.037 -0.011 0.000 0.627 611 A CB -1.592 17.396 19.000 -0.020 0.000 0.818 611 A HN 0.198 nan 8.150 nan 0.000 0.445 612 L N -0.331 120.888 121.223 -0.007 0.000 2.027 612 L HA 0.024 4.365 4.340 0.002 0.000 0.206 612 L C 2.685 179.581 176.870 0.044 0.000 1.074 612 L CA 2.197 57.041 54.840 0.007 0.000 0.745 612 L CB -0.943 41.118 42.059 0.003 0.000 0.898 612 L HN 0.333 nan 8.230 nan 0.000 0.433 613 A N -0.138 122.702 122.820 0.033 0.000 1.892 613 A HA -0.231 4.089 4.320 0.002 0.000 0.218 613 A C 2.475 180.118 177.584 0.099 0.000 1.188 613 A CA 2.307 54.377 52.037 0.054 0.000 0.631 613 A CB -1.367 17.654 19.000 0.035 0.000 0.822 613 A HN 0.628 nan 8.150 nan 0.000 0.447 614 A N -0.685 122.183 122.820 0.080 0.000 1.940 614 A HA -0.166 4.155 4.320 0.002 0.000 0.219 614 A C 1.954 179.612 177.584 0.124 0.000 1.176 614 A CA 1.828 53.923 52.037 0.098 0.000 0.631 614 A CB -0.395 18.640 19.000 0.059 0.000 0.814 614 A HN 0.495 nan 8.150 nan 0.000 0.446 615 E N 0.025 120.287 120.200 0.103 0.000 2.072 615 E HA -0.085 4.266 4.350 0.002 0.000 0.190 615 E C 1.996 178.830 176.600 0.391 0.000 0.982 615 E CA 0.908 57.390 56.400 0.137 0.000 0.803 615 E CB -0.483 29.148 29.700 -0.115 0.000 0.755 615 E HN 0.730 nan 8.360 nan 0.000 0.453 616 I N 0.799 121.601 120.570 0.387 0.000 2.264 616 I HA -0.246 3.925 4.170 0.002 0.000 0.248 616 I C 1.964 178.313 176.117 0.387 0.000 1.111 616 I CA 0.979 62.489 61.300 0.350 0.000 1.382 616 I CB -0.187 37.908 38.000 0.158 0.000 1.060 616 I HN 0.010 nan 8.210 nan 0.000 0.418 617 L N 0.012 121.435 121.223 0.333 0.000 2.612 617 L HA 0.071 4.412 4.340 0.002 0.000 0.230 617 L C 0.276 177.357 176.870 0.352 0.000 1.140 617 L CA 0.155 55.229 54.840 0.390 0.000 0.896 617 L CB -0.272 42.002 42.059 0.358 0.000 1.065 617 L HN 0.054 nan 8.230 nan 0.000 0.447 618 T N 1.625 116.328 114.554 0.247 0.000 2.753 618 T HA 0.389 4.740 4.350 0.002 0.000 0.297 618 T C 0.237 175.015 174.700 0.130 0.000 0.981 618 T CA -0.412 61.770 62.100 0.136 0.000 0.956 618 T CB 0.829 69.768 68.868 0.118 0.000 0.936 618 T HN 0.001 nan 8.240 nan 0.000 0.463 619 L N 5.433 126.676 121.223 0.033 0.000 2.485 619 L HA 0.221 4.562 4.340 0.002 0.000 0.275 619 L C -1.647 175.240 176.870 0.029 0.000 1.207 619 L CA -1.889 52.957 54.840 0.011 0.000 0.855 619 L CB -0.186 41.834 42.059 -0.066 0.000 1.114 619 L HN 0.308 nan 8.230 nan 0.000 0.485 620 P HA -0.037 nan 4.420 nan 0.000 0.264 620 P C -0.274 177.040 177.300 0.023 0.000 1.179 620 P CA -0.129 62.998 63.100 0.046 0.000 0.763 620 P CB 0.370 32.080 31.700 0.018 0.000 0.806 621 S N 1.260 116.978 115.700 0.030 0.000 2.596 621 S HA 0.040 4.511 4.470 0.002 0.000 0.260 621 S C 1.572 176.186 174.600 0.022 0.000 1.336 621 S CA -0.069 58.139 58.200 0.014 0.000 0.993 621 S CB 0.047 63.257 63.200 0.017 0.000 0.923 621 S HN 0.399 nan 8.310 nan 0.000 0.567 622 V N -0.209 119.715 119.914 0.016 0.000 2.594 622 V HA -0.186 3.935 4.120 0.002 0.000 0.253 622 V C 1.733 177.863 176.094 0.060 0.000 1.069 622 V CA 2.023 64.341 62.300 0.031 0.000 1.082 622 V CB -1.736 30.097 31.823 0.017 0.000 0.680 622 V HN 0.841 nan 8.190 nan 0.000 0.469 623 N N 0.652 119.384 118.700 0.053 0.000 2.171 623 N HA -0.118 4.623 4.740 0.002 0.000 0.184 623 N C 1.907 177.457 175.510 0.066 0.000 1.021 623 N CA 1.542 54.631 53.050 0.065 0.000 0.854 623 N CB -0.247 38.270 38.487 0.050 0.000 0.994 623 N HN 0.627 nan 8.380 nan 0.000 0.426 624 E N 0.617 120.846 120.200 0.049 0.000 2.106 624 E HA -0.129 4.222 4.350 0.002 0.000 0.192 624 E C 1.871 178.507 176.600 0.060 0.000 0.984 624 E CA 0.932 57.357 56.400 0.041 0.000 0.806 624 E CB -0.031 29.689 29.700 0.033 0.000 0.750 624 E HN 0.395 nan 8.360 nan 0.000 0.458 625 M N 0.430 120.079 119.600 0.082 0.000 2.117 625 M HA -0.140 4.341 4.480 0.002 0.000 0.262 625 M C 2.531 178.984 176.300 0.254 0.000 1.065 625 M CA 1.309 56.694 55.300 0.142 0.000 1.114 625 M CB -0.260 32.432 32.600 0.154 0.000 1.361 625 M HN 0.132 nan 8.290 nan 0.000 0.408 626 A N 0.087 123.034 122.820 0.212 0.000 1.948 626 A HA -0.230 4.091 4.320 0.002 0.000 0.220 626 A C 2.068 179.789 177.584 0.227 0.000 1.177 626 A CA 1.867 54.049 52.037 0.242 0.000 0.636 626 A CB -0.857 18.220 19.000 0.129 0.000 0.815 626 A HN 0.543 nan 8.150 nan 0.000 0.449 627 E N 0.210 120.497 120.200 0.144 0.000 2.171 627 E HA -0.193 4.158 4.350 0.002 0.000 0.197 627 E C 1.711 178.341 176.600 0.050 0.000 0.997 627 E CA 1.189 57.665 56.400 0.126 0.000 0.810 627 E CB -0.231 29.556 29.700 0.145 0.000 0.738 627 E HN 0.705 nan 8.360 nan 0.000 0.467 628 L N -0.074 121.096 121.223 -0.088 0.000 2.465 628 L HA -0.010 4.330 4.340 0.002 0.000 0.224 628 L C 0.377 176.890 176.870 -0.596 0.000 1.145 628 L CA 0.282 54.877 54.840 -0.409 0.000 0.834 628 L CB -0.134 41.501 42.059 -0.707 0.000 0.944 628 L HN -0.051 nan 8.230 nan 0.000 0.451 629 F N -1.329 118.624 119.950 0.004 0.000 2.546 629 F HA 0.263 4.791 4.527 0.002 0.000 0.320 629 F C 1.053 176.834 175.800 -0.031 0.000 1.076 629 F CA -0.994 56.995 58.000 -0.020 0.000 0.928 629 F CB 0.988 39.962 39.000 -0.044 0.000 1.189 629 F HN -0.248 nan 8.300 nan 0.000 0.465 630 D N 0.876 121.365 120.400 0.149 0.000 2.091 630 D HA -0.002 4.639 4.640 0.002 0.000 0.199 630 D C 0.635 176.946 176.300 0.019 0.000 0.980 630 D CA 1.664 55.702 54.000 0.065 0.000 0.831 630 D CB 0.286 41.114 40.800 0.046 0.000 0.987 630 D HN 0.035 nan 8.370 nan 0.000 0.460 631 I N 1.917 122.498 120.570 0.018 0.000 2.321 631 I HA 0.241 4.412 4.170 0.002 0.000 0.291 631 I C 0.299 176.328 176.117 -0.146 0.000 0.998 631 I CA -0.665 60.586 61.300 -0.081 0.000 1.227 631 I CB 1.159 39.128 38.000 -0.051 0.000 1.368 631 I HN -0.160 nan 8.210 nan 0.000 0.466 632 I N 5.383 125.749 120.570 -0.339 0.000 2.371 632 I HA 0.112 4.283 4.170 0.002 0.000 0.290 632 I C 0.308 176.238 176.117 -0.311 0.000 1.028 632 I CA -0.113 60.956 61.300 -0.385 0.000 1.345 632 I CB 0.749 38.403 38.000 -0.576 0.000 1.407 632 I HN 0.440 nan 8.210 nan 0.000 0.501 633 D N 9.474 129.696 120.400 -0.296 0.000 2.473 633 D HA 0.229 4.870 4.640 0.002 0.000 0.226 633 D C -1.630 174.579 176.300 -0.151 0.000 1.089 633 D CA -2.359 51.533 54.000 -0.179 0.000 0.883 633 D CB 1.527 42.205 40.800 -0.203 0.000 1.029 633 D HN 0.216 nan 8.370 nan 0.000 0.517 634 P HA -0.059 nan 4.420 nan 0.000 0.219 634 P C 1.781 179.059 177.300 -0.037 0.000 1.150 634 P CA 0.522 63.632 63.100 0.018 0.000 0.814 634 P CB 0.742 32.532 31.700 0.150 0.000 0.787 635 I N 0.136 120.680 120.570 -0.044 0.000 2.286 635 I HA -0.173 3.998 4.170 0.002 0.000 0.245 635 I C 2.638 178.606 176.117 -0.249 0.000 1.104 635 I CA 1.314 62.570 61.300 -0.074 0.000 1.397 635 I CB -0.923 37.079 38.000 0.003 0.000 1.072 635 I HN -0.097 nan 8.210 nan 0.000 0.417 636 A N 1.287 123.906 122.820 -0.334 0.000 1.908 636 A HA -0.183 4.138 4.320 0.002 0.000 0.218 636 A C 2.311 179.611 177.584 -0.474 0.000 1.181 636 A CA 1.555 53.181 52.037 -0.686 0.000 0.627 636 A CB -0.843 17.964 19.000 -0.322 0.000 0.818 636 A HN 0.367 nan 8.150 nan 0.000 0.445 637 I N -0.379 120.014 120.570 -0.294 0.000 2.179 637 I HA -0.289 3.882 4.170 0.002 0.000 0.242 637 I C 2.974 179.009 176.117 -0.138 0.000 1.088 637 I CA 1.110 62.303 61.300 -0.178 0.000 1.357 637 I CB -0.314 37.618 38.000 -0.112 0.000 1.051 637 I HN 0.372 nan 8.210 nan 0.000 0.409 638 A N 0.277 123.017 122.820 -0.134 0.000 1.898 638 A HA -0.212 4.109 4.320 0.002 0.000 0.216 638 A C 2.205 179.716 177.584 -0.122 0.000 1.181 638 A CA 1.628 53.606 52.037 -0.098 0.000 0.620 638 A CB -0.539 18.423 19.000 -0.064 0.000 0.819 638 A HN 0.419 nan 8.150 nan 0.000 0.442 639 E N -0.468 119.621 120.200 -0.186 0.000 2.072 639 E HA -0.096 4.255 4.350 0.002 0.000 0.191 639 E C 1.951 178.481 176.600 -0.118 0.000 0.985 639 E CA 1.132 57.444 56.400 -0.145 0.000 0.801 639 E CB -0.191 29.431 29.700 -0.131 0.000 0.750 639 E HN 0.367 nan 8.360 nan 0.000 0.452 640 V N 1.145 120.962 119.914 -0.163 0.000 2.407 640 V HA -0.268 3.853 4.120 0.002 0.000 0.248 640 V C 2.384 178.430 176.094 -0.080 0.000 1.055 640 V CA 1.860 64.112 62.300 -0.079 0.000 1.049 640 V CB -0.448 31.341 31.823 -0.057 0.000 0.662 640 V HN 0.199 nan 8.190 nan 0.000 0.455 641 R N -0.028 120.411 120.500 -0.101 0.000 2.081 641 R HA -0.211 4.130 4.340 0.002 0.000 0.235 641 R C 2.410 178.586 176.300 -0.207 0.000 1.131 641 R CA 1.996 58.020 56.100 -0.125 0.000 0.960 641 R CB -0.245 29.988 30.300 -0.112 0.000 0.856 641 R HN 0.675 nan 8.270 nan 0.000 0.436 642 E N -0.215 119.859 120.200 -0.209 0.000 2.051 642 E HA -0.210 4.141 4.350 0.002 0.000 0.192 642 E C 1.751 178.206 176.600 -0.241 0.000 0.991 642 E CA 1.332 57.548 56.400 -0.305 0.000 0.799 642 E CB -0.126 29.490 29.700 -0.140 0.000 0.748 642 E HN 0.468 nan 8.360 nan 0.000 0.449 643 A N 0.929 123.682 122.820 -0.112 0.000 1.930 643 A HA -0.149 4.172 4.320 0.002 0.000 0.217 643 A C 2.116 179.659 177.584 -0.069 0.000 1.175 643 A CA 1.173 53.177 52.037 -0.055 0.000 0.627 643 A CB -0.584 18.413 19.000 -0.006 0.000 0.815 643 A HN 0.383 nan 8.150 nan 0.000 0.443 644 L N -0.090 121.081 121.223 -0.086 0.000 2.093 644 L HA -0.096 4.245 4.340 0.002 0.000 0.208 644 L C 2.441 179.274 176.870 -0.061 0.000 1.085 644 L CA 2.729 57.522 54.840 -0.078 0.000 0.755 644 L CB -1.054 40.958 42.059 -0.078 0.000 0.904 644 L HN 0.382 nan 8.230 nan 0.000 0.435 645 T N -0.481 113.996 114.554 -0.128 0.000 2.708 645 T HA -0.189 4.162 4.350 0.002 0.000 0.266 645 T C 2.005 176.718 174.700 0.021 0.000 1.037 645 T CA 1.663 63.704 62.100 -0.099 0.000 1.146 645 T CB -0.223 68.281 68.868 -0.607 0.000 0.865 645 T HN 0.353 nan 8.240 nan 0.000 0.435 646 R N 0.530 120.993 120.500 -0.062 0.000 2.081 646 R HA -0.058 4.283 4.340 0.002 0.000 0.235 646 R C 2.809 179.133 176.300 0.040 0.000 1.131 646 R CA 1.622 57.754 56.100 0.054 0.000 0.960 646 R CB -0.728 29.610 30.300 0.062 0.000 0.856 646 R HN 0.326 nan 8.270 nan 0.000 0.436 647 T N 1.695 116.247 114.554 -0.004 0.000 2.708 647 T HA -0.101 4.250 4.350 0.002 0.000 0.266 647 T C 1.909 176.574 174.700 -0.058 0.000 1.037 647 T CA 1.135 63.216 62.100 -0.031 0.000 1.146 647 T CB -0.166 68.670 68.868 -0.054 0.000 0.865 647 T HN 0.120 nan 8.240 nan 0.000 0.435 648 L N 0.722 121.895 121.223 -0.084 0.000 2.056 648 L HA -0.054 4.287 4.340 0.002 0.000 0.207 648 L C 3.069 179.832 176.870 -0.177 0.000 1.078 648 L CA 1.084 55.799 54.840 -0.208 0.000 0.749 648 L CB -0.728 41.087 42.059 -0.407 0.000 0.901 648 L HN 0.236 nan 8.230 nan 0.000 0.433 649 A N -0.178 122.647 122.820 0.009 0.000 1.892 649 A HA -0.240 4.081 4.320 0.002 0.000 0.218 649 A C 2.385 179.978 177.584 0.017 0.000 1.188 649 A CA 2.593 54.675 52.037 0.075 0.000 0.631 649 A CB -1.015 18.109 19.000 0.207 0.000 0.822 649 A HN 0.394 nan 8.150 nan 0.000 0.447 650 T N -0.147 114.415 114.554 0.013 0.000 2.737 650 T HA -0.099 4.252 4.350 0.002 0.000 0.265 650 T C 1.825 176.511 174.700 -0.024 0.000 1.038 650 T CA 1.455 63.556 62.100 0.001 0.000 1.144 650 T CB -0.245 68.625 68.868 0.004 0.000 0.866 650 T HN 0.480 nan 8.240 nan 0.000 0.434 651 E N 1.099 121.270 120.200 -0.049 0.000 2.150 651 E HA 0.031 4.382 4.350 0.002 0.000 0.193 651 E C 1.630 178.192 176.600 -0.063 0.000 0.985 651 E CA 0.763 57.129 56.400 -0.057 0.000 0.814 651 E CB -0.135 29.520 29.700 -0.075 0.000 0.752 651 E HN 0.484 nan 8.360 nan 0.000 0.466 652 L N -0.165 121.004 121.223 -0.088 0.000 2.910 652 L HA 0.336 4.677 4.340 0.002 0.000 0.252 652 L C 1.874 178.710 176.870 -0.057 0.000 1.195 652 L CA -0.128 54.658 54.840 -0.090 0.000 1.003 652 L CB 0.088 42.050 42.059 -0.161 0.000 1.328 652 L HN -0.075 nan 8.230 nan 0.000 0.540 653 A N 0.805 123.606 122.820 -0.031 0.000 1.884 653 A HA -0.257 4.064 4.320 0.002 0.000 0.219 653 A C 1.892 179.478 177.584 0.003 0.000 1.197 653 A CA 2.326 54.359 52.037 -0.006 0.000 0.637 653 A CB -0.300 18.701 19.000 0.003 0.000 0.827 653 A HN 0.383 nan 8.150 nan 0.000 0.450 654 D N -0.587 119.813 120.400 0.001 0.000 2.097 654 D HA -0.092 4.549 4.640 0.002 0.000 0.197 654 D C 1.958 178.268 176.300 0.017 0.000 0.984 654 D CA 1.594 55.600 54.000 0.011 0.000 0.826 654 D CB -0.483 40.321 40.800 0.007 0.000 0.973 654 D HN 0.575 nan 8.370 nan 0.000 0.460 655 E N 0.715 120.918 120.200 0.005 0.000 2.058 655 E HA -0.118 4.233 4.350 0.002 0.000 0.194 655 E C 2.349 178.966 176.600 0.029 0.000 0.997 655 E CA 0.472 56.878 56.400 0.009 0.000 0.801 655 E CB -0.334 29.359 29.700 -0.010 0.000 0.746 655 E HN 0.239 nan 8.360 nan 0.000 0.450 656 L N -0.028 121.209 121.223 0.022 0.000 2.012 656 L HA -0.187 4.153 4.340 0.002 0.000 0.210 656 L C 2.346 179.285 176.870 0.115 0.000 1.073 656 L CA 0.690 55.566 54.840 0.061 0.000 0.748 656 L CB -0.392 41.692 42.059 0.042 0.000 0.891 656 L HN 0.195 nan 8.230 nan 0.000 0.431 657 L N -0.090 121.185 121.223 0.087 0.000 2.046 657 L HA -0.136 4.205 4.340 0.002 0.000 0.208 657 L C 2.597 179.563 176.870 0.161 0.000 1.077 657 L CA 1.969 56.882 54.840 0.122 0.000 0.747 657 L CB -0.706 41.393 42.059 0.066 0.000 0.896 657 L HN 0.157 nan 8.230 nan 0.000 0.432 658 A N -0.338 122.542 122.820 0.100 0.000 1.902 658 A HA -0.158 4.163 4.320 0.002 0.000 0.217 658 A C 2.128 179.764 177.584 0.088 0.000 1.181 658 A CA 1.893 53.978 52.037 0.079 0.000 0.623 658 A CB -0.703 18.325 19.000 0.047 0.000 0.818 658 A HN 0.416 nan 8.150 nan 0.000 0.443 659 I N -1.602 119.027 120.570 0.097 0.000 2.315 659 I HA -0.183 3.988 4.170 0.002 0.000 0.248 659 I C 2.355 178.542 176.117 0.117 0.000 1.117 659 I CA 1.260 62.614 61.300 0.090 0.000 1.404 659 I CB -1.615 36.433 38.000 0.080 0.000 1.071 659 I HN 0.546 nan 8.210 nan 0.000 0.419 660 Y N 2.599 122.935 120.300 0.060 0.000 2.081 660 Y HA -0.329 4.222 4.550 0.002 0.000 0.280 660 Y C 2.343 178.292 175.900 0.082 0.000 1.163 660 Y CA 2.406 60.550 58.100 0.074 0.000 1.135 660 Y CB -0.706 37.797 38.460 0.073 0.000 0.970 660 Y HN 0.271 nan 8.280 nan 0.000 0.498 661 N N -0.238 118.494 118.700 0.054 0.000 2.142 661 N HA -0.144 4.597 4.740 0.002 0.000 0.186 661 N C 1.957 177.457 175.510 -0.016 0.000 1.023 661 N CA 0.910 53.947 53.050 -0.021 0.000 0.852 661 N CB -0.386 38.139 38.487 0.063 0.000 0.998 661 N HN 0.466 nan 8.380 nan 0.000 0.424 662 A N 0.929 123.756 122.820 0.011 0.000 2.019 662 A HA -0.078 4.243 4.320 0.002 0.000 0.219 662 A C 1.569 179.155 177.584 0.005 0.000 1.164 662 A CA 1.191 53.236 52.037 0.015 0.000 0.644 662 A CB -0.144 18.867 19.000 0.018 0.000 0.805 662 A HN 0.290 nan 8.150 nan 0.000 0.449 663 N N -1.441 117.244 118.700 -0.024 0.000 2.230 663 N HA 0.055 4.796 4.740 0.002 0.000 0.202 663 N C -0.325 175.140 175.510 -0.076 0.000 1.119 663 N CA -0.204 52.818 53.050 -0.047 0.000 0.851 663 N CB 0.102 38.564 38.487 -0.042 0.000 0.990 663 N HN 0.580 nan 8.380 nan 0.000 0.497 664 Y N 2.717 122.911 120.300 -0.177 0.000 2.811 664 Y HA -0.092 4.459 4.550 0.002 0.000 0.334 664 Y C -0.129 175.711 175.900 -0.099 0.000 1.247 664 Y CA 0.590 58.590 58.100 -0.168 0.000 1.526 664 Y CB 0.339 38.708 38.460 -0.151 0.000 1.284 664 Y HN 0.015 nan 8.280 nan 0.000 0.586 665 Q N 4.157 123.409 119.800 -0.915 0.000 2.292 665 Q HA 0.225 4.566 4.340 0.002 0.000 0.270 665 Q C 0.498 175.969 176.000 -0.883 0.000 1.024 665 Q CA -0.153 55.233 55.803 -0.694 0.000 0.768 665 Q CB 1.921 30.449 28.738 -0.350 0.000 1.250 665 Q HN 0.884 nan 8.270 nan 0.000 0.447 666 S N 1.252 116.572 115.700 -0.632 0.000 2.371 666 S HA -0.011 4.460 4.470 0.002 0.000 0.224 666 S C 0.601 175.109 174.600 -0.153 0.000 1.029 666 S CA 0.525 58.542 58.200 -0.304 0.000 0.978 666 S CB 0.158 63.346 63.200 -0.019 0.000 0.833 666 S HN 0.487 nan 8.310 nan 0.000 0.466 667 E N 1.136 121.254 120.200 -0.137 0.000 2.313 667 E HA 0.229 4.580 4.350 0.002 0.000 0.276 667 E C -1.381 175.168 176.600 -0.084 0.000 1.031 667 E CA -0.326 56.023 56.400 -0.086 0.000 0.857 667 E CB 0.770 30.412 29.700 -0.096 0.000 1.040 667 E HN 0.541 nan 8.360 nan 0.000 0.408 668 Y N 3.155 123.363 120.300 -0.153 0.000 2.341 668 Y HA 0.265 4.816 4.550 0.002 0.000 0.340 668 Y C -0.332 175.450 175.900 -0.197 0.000 0.997 668 Y CA -0.287 57.708 58.100 -0.176 0.000 1.149 668 Y CB 0.651 39.016 38.460 -0.158 0.000 1.171 668 Y HN 0.305 nan 8.280 nan 0.000 0.494 669 R N 4.422 124.373 120.500 -0.915 0.000 2.621 669 R HA 0.470 4.811 4.340 0.002 0.000 0.284 669 R C -1.438 174.269 176.300 -0.988 0.000 0.998 669 R CA -1.155 54.498 56.100 -0.746 0.000 0.895 669 R CB 2.058 32.100 30.300 -0.430 0.000 1.195 669 R HN 0.472 nan 8.270 nan 0.000 0.450 670 V N 3.067 122.462 119.914 -0.865 0.000 2.071 670 V HA 0.153 4.274 4.120 0.002 0.000 0.254 670 V C -0.129 175.590 176.094 -0.625 0.000 1.456 670 V CA 0.281 62.062 62.300 -0.865 0.000 1.383 670 V CB -0.647 30.470 31.823 -1.176 0.000 1.433 670 V HN 0.714 nan 8.190 nan 0.000 0.499 671 E N 0.785 120.654 120.200 -0.551 0.000 2.314 671 E HA 0.407 4.758 4.350 0.002 0.000 0.272 671 E C 0.169 176.530 176.600 -0.398 0.000 0.884 671 E CA -0.818 55.333 56.400 -0.416 0.000 0.753 671 E CB 1.649 31.191 29.700 -0.263 0.000 1.213 671 E HN 0.404 nan 8.360 nan 0.000 0.432 672 H N 1.598 120.587 119.070 -0.136 0.000 2.387 672 H HA -0.123 4.434 4.556 0.002 0.000 0.299 672 H C 1.049 176.311 175.328 -0.110 0.000 1.099 672 H CA 1.467 57.446 56.048 -0.115 0.000 1.315 672 H CB 0.432 30.140 29.762 -0.089 0.000 1.380 672 H HN 0.598 nan 8.280 nan 0.000 0.513 673 E N 0.504 120.691 120.200 -0.022 0.000 2.072 673 E HA -0.137 4.214 4.350 0.002 0.000 0.191 673 E C 1.738 178.283 176.600 -0.092 0.000 0.985 673 E CA 1.121 57.492 56.400 -0.048 0.000 0.801 673 E CB 0.052 29.721 29.700 -0.051 0.000 0.750 673 E HN 0.464 nan 8.360 nan 0.000 0.452 674 D N 0.699 121.009 120.400 -0.151 0.000 2.117 674 D HA -0.134 4.507 4.640 0.002 0.000 0.197 674 D C 1.888 178.075 176.300 -0.189 0.000 0.987 674 D CA 0.863 54.745 54.000 -0.196 0.000 0.829 674 D CB -0.150 40.475 40.800 -0.291 0.000 0.961 674 D HN 0.132 nan 8.370 nan 0.000 0.460 675 I N 0.865 121.310 120.570 -0.209 0.000 2.208 675 I HA -0.285 3.886 4.170 0.002 0.000 0.245 675 I C 2.382 178.452 176.117 -0.079 0.000 1.097 675 I CA 1.085 62.289 61.300 -0.159 0.000 1.363 675 I CB -0.248 37.643 38.000 -0.181 0.000 1.051 675 I HN -0.028 nan 8.210 nan 0.000 0.413 676 A N 0.853 123.638 122.820 -0.058 0.000 1.877 676 A HA -0.233 4.088 4.320 0.002 0.000 0.216 676 A C 2.329 179.896 177.584 -0.028 0.000 1.186 676 A CA 1.756 53.776 52.037 -0.029 0.000 0.620 676 A CB -0.480 18.508 19.000 -0.021 0.000 0.822 676 A HN 0.314 nan 8.150 nan 0.000 0.443 677 K N -0.917 119.455 120.400 -0.047 0.000 2.057 677 K HA -0.147 4.174 4.320 0.002 0.000 0.207 677 K C 2.376 178.954 176.600 -0.036 0.000 1.049 677 K CA 1.544 57.806 56.287 -0.043 0.000 0.931 677 K CB -0.171 32.289 32.500 -0.066 0.000 0.714 677 K HN 0.452 nan 8.250 nan 0.000 0.440 678 R N 0.664 121.134 120.500 -0.050 0.000 2.081 678 R HA -0.118 4.222 4.340 0.002 0.000 0.235 678 R C 1.965 178.275 176.300 0.015 0.000 1.131 678 R CA 1.924 58.009 56.100 -0.025 0.000 0.960 678 R CB -0.229 30.055 30.300 -0.027 0.000 0.856 678 R HN 0.120 nan 8.270 nan 0.000 0.436 679 T N 1.556 116.117 114.554 0.011 0.000 2.746 679 T HA -0.159 4.192 4.350 0.002 0.000 0.267 679 T C 1.616 176.350 174.700 0.057 0.000 1.039 679 T CA 1.287 63.405 62.100 0.031 0.000 1.142 679 T CB -0.250 68.627 68.868 0.016 0.000 0.866 679 T HN 0.165 nan 8.240 nan 0.000 0.444 680 L N 1.377 122.631 121.223 0.051 0.000 2.017 680 L HA 0.039 4.380 4.340 0.002 0.000 0.208 680 L C 2.508 179.446 176.870 0.113 0.000 1.073 680 L CA 1.781 56.668 54.840 0.079 0.000 0.745 680 L CB -0.590 41.502 42.059 0.056 0.000 0.894 680 L HN 0.055 nan 8.230 nan 0.000 0.432 681 R N -0.434 120.118 120.500 0.086 0.000 2.091 681 R HA -0.186 4.155 4.340 0.002 0.000 0.238 681 R C 2.058 178.509 176.300 0.253 0.000 1.136 681 R CA 2.217 58.393 56.100 0.127 0.000 0.959 681 R CB -0.352 29.937 30.300 -0.018 0.000 0.856 681 R HN 0.595 nan 8.270 nan 0.000 0.437 682 N N -0.383 118.421 118.700 0.174 0.000 2.331 682 N HA -0.070 4.671 4.740 0.002 0.000 0.180 682 N C 1.641 177.237 175.510 0.144 0.000 1.019 682 N CA 0.653 53.808 53.050 0.175 0.000 0.881 682 N CB -0.007 38.550 38.487 0.117 0.000 0.972 682 N HN 0.262 nan 8.380 nan 0.000 0.435 683 A N 0.666 123.569 122.820 0.139 0.000 1.902 683 A HA -0.167 4.154 4.320 0.002 0.000 0.217 683 A C 2.364 180.093 177.584 0.243 0.000 1.181 683 A CA 1.073 53.196 52.037 0.142 0.000 0.623 683 A CB -0.973 18.128 19.000 0.169 0.000 0.818 683 A HN 0.450 nan 8.150 nan 0.000 0.443 684 C N -1.349 118.123 119.300 0.287 0.000 2.429 684 C HA -0.067 4.394 4.460 0.002 0.000 0.277 684 C C 2.513 177.644 174.990 0.235 0.000 1.262 684 C CA 1.044 60.257 59.018 0.325 0.000 1.733 684 C CB -1.504 26.419 27.740 0.304 0.000 2.010 684 C HN 0.669 nan 8.230 nan 0.000 0.483 685 L N 1.519 122.850 121.223 0.179 0.000 2.042 685 L HA -0.140 4.201 4.340 0.002 0.000 0.210 685 L C 2.662 179.548 176.870 0.026 0.000 1.076 685 L CA 1.893 56.730 54.840 -0.005 0.000 0.749 685 L CB -0.784 41.312 42.059 0.061 0.000 0.893 685 L HN 0.253 nan 8.230 nan 0.000 0.432 686 R N -1.169 119.358 120.500 0.046 0.000 2.115 686 R HA -0.245 4.096 4.340 0.002 0.000 0.239 686 R C 2.139 178.472 176.300 0.056 0.000 1.133 686 R CA 2.466 58.559 56.100 -0.012 0.000 0.935 686 R CB -0.699 29.494 30.300 -0.179 0.000 0.853 686 R HN 0.358 nan 8.270 nan 0.000 0.433 687 F N 0.276 120.291 119.950 0.108 0.000 2.102 687 F HA -0.096 4.432 4.527 0.001 0.000 0.298 687 F C 2.110 177.970 175.800 0.100 0.000 1.105 687 F CA 1.225 59.283 58.000 0.097 0.000 1.239 687 F CB -0.473 38.545 39.000 0.030 0.000 0.991 687 F HN 0.008 nan 8.300 nan 0.000 0.474 688 L N -0.472 120.874 121.223 0.206 0.000 2.079 688 L HA -0.235 4.106 4.340 0.002 0.000 0.210 688 L C 2.648 179.526 176.870 0.013 0.000 1.081 688 L CA 1.103 55.979 54.840 0.059 0.000 0.752 688 L CB -1.018 40.994 42.059 -0.078 0.000 0.896 688 L HN 0.148 nan 8.230 nan 0.000 0.433 689 A N -0.635 122.178 122.820 -0.010 0.000 2.024 689 A HA -0.171 4.150 4.320 0.002 0.000 0.220 689 A C 1.725 179.171 177.584 -0.229 0.000 1.164 689 A CA 1.452 53.401 52.037 -0.146 0.000 0.643 689 A CB -0.584 18.289 19.000 -0.212 0.000 0.806 689 A HN 0.407 nan 8.150 nan 0.000 0.451 690 F N -0.738 119.200 119.950 -0.021 0.000 2.641 690 F HA 0.317 4.845 4.527 0.002 0.000 0.302 690 F C 1.655 177.462 175.800 0.011 0.000 1.098 690 F CA -0.103 57.893 58.000 -0.008 0.000 1.318 690 F CB 0.139 39.138 39.000 -0.003 0.000 1.035 690 F HN 0.247 nan 8.300 nan 0.000 0.551 691 G N -0.807 108.071 108.800 0.130 0.000 2.714 691 G HA2 0.066 4.027 3.960 0.002 0.000 0.197 691 G HA3 0.066 4.027 3.960 0.002 0.000 0.197 691 G C -0.401 174.522 174.900 0.040 0.000 1.449 691 G CA -0.396 44.754 45.100 0.083 0.000 1.065 691 G HN -0.001 nan 8.290 nan 0.000 0.575 692 E N -0.146 120.070 120.200 0.027 0.000 2.465 692 E HA 0.006 4.357 4.350 0.002 0.000 0.260 692 E C 1.424 178.030 176.600 0.011 0.000 0.980 692 E CA 0.145 56.559 56.400 0.024 0.000 0.927 692 E CB 0.629 30.347 29.700 0.030 0.000 0.934 692 E HN 0.305 nan 8.360 nan 0.000 0.459 693 T N 4.498 119.062 114.554 0.016 0.000 2.684 693 T HA -0.202 4.148 4.350 0.002 0.000 0.267 693 T C 1.528 176.234 174.700 0.011 0.000 1.036 693 T CA 1.459 63.559 62.100 -0.001 0.000 1.148 693 T CB -0.339 68.534 68.868 0.008 0.000 0.863 693 T HN 0.578 nan 8.240 nan 0.000 0.436 694 H N 0.762 119.814 119.070 -0.029 0.000 2.321 694 H HA 0.046 4.603 4.556 0.002 0.000 0.300 694 H C 2.417 177.729 175.328 -0.026 0.000 1.087 694 H CA 1.100 57.133 56.048 -0.024 0.000 1.319 694 H CB -0.391 29.362 29.762 -0.016 0.000 1.379 694 H HN 0.237 nan 8.280 nan 0.000 0.501 695 L N 0.548 121.718 121.223 -0.089 0.000 2.012 695 L HA -0.181 4.160 4.340 0.002 0.000 0.210 695 L C 2.804 179.582 176.870 -0.154 0.000 1.073 695 L CA 1.454 56.215 54.840 -0.132 0.000 0.748 695 L CB -0.807 41.227 42.059 -0.042 0.000 0.891 695 L HN 0.357 nan 8.230 nan 0.000 0.431 696 A N -0.246 122.504 122.820 -0.117 0.000 1.865 696 A HA -0.345 3.976 4.320 0.002 0.000 0.217 696 A C 1.911 179.405 177.584 -0.150 0.000 1.191 696 A CA 2.303 54.262 52.037 -0.130 0.000 0.623 696 A CB -0.949 17.979 19.000 -0.121 0.000 0.826 696 A HN 0.541 nan 8.150 nan 0.000 0.444 697 D N -0.960 119.348 120.400 -0.153 0.000 2.123 697 D HA -0.115 4.526 4.640 0.002 0.000 0.196 697 D C 1.820 178.031 176.300 -0.147 0.000 0.992 697 D CA 1.436 55.350 54.000 -0.143 0.000 0.833 697 D CB -0.038 40.692 40.800 -0.116 0.000 0.954 697 D HN 0.150 nan 8.370 nan 0.000 0.455 698 V N 0.102 119.883 119.914 -0.223 0.000 2.307 698 V HA -0.176 3.945 4.120 0.002 0.000 0.245 698 V C 2.332 178.374 176.094 -0.087 0.000 1.045 698 V CA 0.871 63.066 62.300 -0.174 0.000 1.024 698 V CB -0.351 31.313 31.823 -0.265 0.000 0.651 698 V HN 0.257 nan 8.190 nan 0.000 0.449 699 L N -0.267 120.891 121.223 -0.110 0.000 1.989 699 L HA -0.135 4.206 4.340 0.002 0.000 0.211 699 L C 2.418 179.259 176.870 -0.047 0.000 1.071 699 L CA 1.790 56.575 54.840 -0.092 0.000 0.749 699 L CB -0.978 40.961 42.059 -0.201 0.000 0.890 699 L HN 0.137 nan 8.230 nan 0.000 0.431 700 V N -0.616 119.254 119.914 -0.073 0.000 2.307 700 V HA -0.240 3.881 4.120 0.002 0.000 0.245 700 V C 2.626 178.721 176.094 0.002 0.000 1.045 700 V CA 1.656 63.931 62.300 -0.042 0.000 1.024 700 V CB -0.724 31.044 31.823 -0.092 0.000 0.651 700 V HN 0.673 nan 8.190 nan 0.000 0.449 701 S N -0.071 115.618 115.700 -0.018 0.000 2.382 701 S HA -0.275 4.196 4.470 0.002 0.000 0.228 701 S C 2.024 176.688 174.600 0.107 0.000 1.027 701 S CA 1.780 59.984 58.200 0.006 0.000 0.991 701 S CB -0.408 62.816 63.200 0.041 0.000 0.823 701 S HN 0.593 nan 8.310 nan 0.000 0.469 702 K N 1.055 121.526 120.400 0.118 0.000 2.026 702 K HA -0.157 4.164 4.320 0.002 0.000 0.208 702 K C 2.642 179.337 176.600 0.158 0.000 1.048 702 K CA 1.501 57.880 56.287 0.154 0.000 0.929 702 K CB -0.323 32.240 32.500 0.105 0.000 0.713 702 K HN 0.580 nan 8.250 nan 0.000 0.439 703 Q N -0.292 119.598 119.800 0.149 0.000 2.096 703 Q HA -0.221 4.120 4.340 0.002 0.000 0.204 703 Q C 1.965 178.045 176.000 0.133 0.000 0.982 703 Q CA 1.833 57.736 55.803 0.167 0.000 0.850 703 Q CB -0.233 28.630 28.738 0.207 0.000 0.901 703 Q HN 0.354 nan 8.270 nan 0.000 0.422 704 F N 0.486 120.415 119.950 -0.036 0.000 2.095 704 F HA -0.248 4.279 4.527 0.002 0.000 0.298 704 F C 1.797 177.557 175.800 -0.067 0.000 1.104 704 F CA 2.396 60.340 58.000 -0.094 0.000 1.232 704 F CB -0.274 38.586 39.000 -0.234 0.000 0.987 704 F HN 0.240 nan 8.300 nan 0.000 0.475 705 H N -1.115 118.056 119.070 0.168 0.000 2.462 705 H HA -0.019 4.538 4.556 0.002 0.000 0.292 705 H C 1.710 177.034 175.328 -0.006 0.000 1.049 705 H CA 1.320 57.404 56.048 0.060 0.000 1.334 705 H CB 0.001 29.845 29.762 0.135 0.000 1.404 705 H HN 0.403 nan 8.280 nan 0.000 0.544 706 E N 0.591 120.867 120.200 0.127 0.000 2.452 706 E HA 0.184 4.535 4.350 0.002 0.000 0.197 706 E C 0.571 177.201 176.600 0.050 0.000 1.022 706 E CA -0.110 56.343 56.400 0.090 0.000 0.890 706 E CB 0.538 30.305 29.700 0.112 0.000 0.918 706 E HN 0.315 nan 8.360 nan 0.000 0.496 707 A N 2.910 125.733 122.820 0.004 0.000 2.567 707 A HA -0.061 4.260 4.320 0.002 0.000 0.240 707 A C 0.661 178.210 177.584 -0.059 0.000 1.053 707 A CA 0.107 52.125 52.037 -0.032 0.000 0.755 707 A CB -0.056 18.892 19.000 -0.088 0.000 0.978 707 A HN 0.292 nan 8.150 nan 0.000 0.507 708 N N 1.687 120.352 118.700 -0.059 0.000 2.251 708 N HA 0.042 4.783 4.740 0.002 0.000 0.217 708 N C -0.449 174.953 175.510 -0.181 0.000 1.124 708 N CA 0.015 53.017 53.050 -0.081 0.000 0.843 708 N CB -0.070 38.396 38.487 -0.035 0.000 1.024 708 N HN 0.730 nan 8.380 nan 0.000 0.501 709 N N -1.294 117.259 118.700 -0.244 0.000 2.745 709 N HA 0.067 4.808 4.740 0.002 0.000 0.256 709 N C -0.131 175.212 175.510 -0.279 0.000 1.268 709 N CA -0.567 52.222 53.050 -0.436 0.000 0.887 709 N CB 0.999 38.891 38.487 -0.991 0.000 1.575 709 N HN -0.157 nan 8.380 nan 0.000 0.496 710 M N 1.238 120.682 119.600 -0.259 0.000 2.296 710 M HA 0.012 4.493 4.480 0.002 0.000 0.265 710 M C 1.350 177.602 176.300 -0.080 0.000 1.064 710 M CA 1.872 57.084 55.300 -0.147 0.000 1.109 710 M CB -0.838 31.661 32.600 -0.169 0.000 1.396 710 M HN 0.726 nan 8.290 nan 0.000 0.430 711 T N 0.657 115.153 114.554 -0.097 0.000 2.684 711 T HA -0.144 4.207 4.350 0.002 0.000 0.267 711 T C 1.392 176.103 174.700 0.019 0.000 1.036 711 T CA 1.831 63.928 62.100 -0.004 0.000 1.148 711 T CB -0.422 68.480 68.868 0.057 0.000 0.863 711 T HN 0.411 nan 8.240 nan 0.000 0.436 712 D N 0.947 121.345 120.400 -0.004 0.000 2.162 712 D HA 0.116 4.757 4.640 0.002 0.000 0.203 712 D C 2.391 178.723 176.300 0.054 0.000 0.967 712 D CA 0.997 55.021 54.000 0.039 0.000 0.840 712 D CB -0.471 40.349 40.800 0.033 0.000 0.972 712 D HN 0.372 nan 8.370 nan 0.000 0.482 713 A N 0.930 123.750 122.820 0.001 0.000 1.883 713 A HA -0.158 4.163 4.320 0.002 0.000 0.217 713 A C 2.185 179.900 177.584 0.218 0.000 1.186 713 A CA 1.087 53.131 52.037 0.012 0.000 0.624 713 A CB -0.773 18.136 19.000 -0.151 0.000 0.822 713 A HN 0.231 nan 8.150 nan 0.000 0.444 714 L N -0.540 120.779 121.223 0.160 0.000 2.093 714 L HA 0.012 4.353 4.340 0.002 0.000 0.208 714 L C 2.721 179.653 176.870 0.104 0.000 1.085 714 L CA 1.841 56.774 54.840 0.156 0.000 0.755 714 L CB -0.601 41.516 42.059 0.097 0.000 0.904 714 L HN 0.356 nan 8.230 nan 0.000 0.435 715 A N -0.471 122.403 122.820 0.090 0.000 1.908 715 A HA -0.173 4.148 4.320 0.002 0.000 0.218 715 A C 2.452 180.082 177.584 0.076 0.000 1.181 715 A CA 1.904 53.986 52.037 0.075 0.000 0.627 715 A CB -1.150 17.901 19.000 0.086 0.000 0.818 715 A HN 0.534 nan 8.150 nan 0.000 0.445 716 A N -0.690 122.202 122.820 0.120 0.000 1.877 716 A HA -0.024 4.297 4.320 0.002 0.000 0.216 716 A C 2.155 179.772 177.584 0.055 0.000 1.186 716 A CA 1.737 53.839 52.037 0.108 0.000 0.620 716 A CB -0.657 18.457 19.000 0.189 0.000 0.822 716 A HN 0.643 nan 8.150 nan 0.000 0.443 717 L N -0.193 121.103 121.223 0.122 0.000 2.017 717 L HA -0.109 4.232 4.340 0.002 0.000 0.208 717 L C 2.663 179.477 176.870 -0.094 0.000 1.073 717 L CA 2.513 57.332 54.840 -0.035 0.000 0.745 717 L CB -0.698 41.394 42.059 0.053 0.000 0.894 717 L HN 0.368 nan 8.230 nan 0.000 0.432 718 S N -0.947 114.725 115.700 -0.048 0.000 2.370 718 S HA -0.189 4.282 4.470 0.002 0.000 0.226 718 S C 2.138 176.695 174.600 -0.071 0.000 1.033 718 S CA 1.262 59.423 58.200 -0.066 0.000 1.011 718 S CB -0.428 62.754 63.200 -0.030 0.000 0.852 718 S HN 0.626 nan 8.310 nan 0.000 0.457 719 A N 1.233 124.016 122.820 -0.061 0.000 1.930 719 A HA 0.238 4.559 4.320 0.002 0.000 0.217 719 A C 2.466 179.936 177.584 -0.190 0.000 1.175 719 A CA 1.768 53.745 52.037 -0.101 0.000 0.627 719 A CB -1.347 17.607 19.000 -0.078 0.000 0.815 719 A HN 0.757 nan 8.150 nan 0.000 0.443 720 A N -0.437 122.281 122.820 -0.170 0.000 1.908 720 A HA -0.034 4.287 4.320 0.002 0.000 0.218 720 A C 2.236 179.698 177.584 -0.204 0.000 1.181 720 A CA 1.924 53.841 52.037 -0.199 0.000 0.627 720 A CB -0.950 17.929 19.000 -0.202 0.000 0.818 720 A HN 0.400 nan 8.150 nan 0.000 0.445 721 V N -0.237 119.566 119.914 -0.185 0.000 2.307 721 V HA -0.217 3.904 4.120 0.002 0.000 0.245 721 V C 3.057 179.066 176.094 -0.140 0.000 1.045 721 V CA 1.930 64.128 62.300 -0.170 0.000 1.024 721 V CB -1.306 30.408 31.823 -0.182 0.000 0.651 721 V HN 0.614 nan 8.190 nan 0.000 0.449 722 A N -0.068 122.682 122.820 -0.116 0.000 1.902 722 A HA -0.032 4.289 4.320 0.002 0.000 0.217 722 A C 2.181 179.694 177.584 -0.118 0.000 1.181 722 A CA 2.012 54.042 52.037 -0.011 0.000 0.623 722 A CB -0.573 18.506 19.000 0.133 0.000 0.818 722 A HN 0.613 nan 8.150 nan 0.000 0.443 723 A N -1.696 120.816 122.820 -0.514 0.000 2.275 723 A HA 0.333 4.654 4.320 0.002 0.000 0.212 723 A C 0.708 178.068 177.584 -0.373 0.000 1.201 723 A CA 0.569 52.102 52.037 -0.840 0.000 0.843 723 A CB -0.392 17.851 19.000 -1.261 0.000 0.873 723 A HN 0.565 nan 8.150 nan 0.000 0.492 724 Q N -0.440 119.218 119.800 -0.236 0.000 2.452 724 Q HA -0.173 4.168 4.340 0.002 0.000 0.318 724 Q C -0.703 175.205 176.000 -0.153 0.000 1.386 724 Q CA 0.359 56.069 55.803 -0.156 0.000 0.872 724 Q CB -1.813 26.865 28.738 -0.100 0.000 1.151 724 Q HN 0.670 nan 8.270 nan 0.000 0.417 725 L N -0.296 120.820 121.223 -0.178 0.000 2.436 725 L HA 0.126 4.467 4.340 0.002 0.000 0.265 725 L C -0.869 175.937 176.870 -0.108 0.000 1.168 725 L CA -1.852 52.898 54.840 -0.150 0.000 0.815 725 L CB 0.144 42.100 42.059 -0.172 0.000 1.109 725 L HN -0.003 nan 8.230 nan 0.000 0.462 726 P HA -0.206 nan 4.420 nan 0.000 0.216 726 P C 1.482 178.749 177.300 -0.056 0.000 1.154 726 P CA 1.448 64.517 63.100 -0.051 0.000 0.865 726 P CB -0.090 31.595 31.700 -0.024 0.000 0.789 727 C N -1.221 118.037 119.300 -0.069 0.000 2.491 727 C HA 0.168 4.629 4.460 0.002 0.000 0.277 727 C C 2.516 177.437 174.990 -0.114 0.000 1.455 727 C CA -0.478 58.496 59.018 -0.073 0.000 1.758 727 C CB -1.966 25.728 27.740 -0.076 0.000 1.745 727 C HN 0.142 nan 8.230 nan 0.000 0.558 728 R N 1.656 122.080 120.500 -0.127 0.000 2.097 728 R HA -0.187 4.154 4.340 0.002 0.000 0.236 728 R C 1.727 177.948 176.300 -0.131 0.000 1.135 728 R CA 2.647 58.654 56.100 -0.155 0.000 0.934 728 R CB -0.569 29.642 30.300 -0.148 0.000 0.846 728 R HN 0.467 nan 8.270 nan 0.000 0.431 729 D N 0.097 120.446 120.400 -0.085 0.000 2.144 729 D HA -0.127 4.514 4.640 0.002 0.000 0.199 729 D C 1.755 178.047 176.300 -0.015 0.000 0.984 729 D CA 1.505 55.478 54.000 -0.045 0.000 0.834 729 D CB -0.332 40.452 40.800 -0.027 0.000 0.955 729 D HN 0.439 nan 8.370 nan 0.000 0.465 730 A N 0.815 123.620 122.820 -0.025 0.000 1.858 730 A HA -0.131 4.190 4.320 0.002 0.000 0.216 730 A C 2.392 179.967 177.584 -0.015 0.000 1.190 730 A CA 1.025 53.065 52.037 0.005 0.000 0.617 730 A CB -0.815 18.197 19.000 0.020 0.000 0.827 730 A HN 0.213 nan 8.150 nan 0.000 0.443 731 L N -1.134 119.994 121.223 -0.159 0.000 2.046 731 L HA -0.195 4.146 4.340 0.002 0.000 0.208 731 L C 2.812 179.561 176.870 -0.201 0.000 1.077 731 L CA 1.048 55.625 54.840 -0.438 0.000 0.747 731 L CB -0.674 40.852 42.059 -0.888 0.000 0.896 731 L HN 0.336 nan 8.230 nan 0.000 0.432 732 M N -0.403 119.160 119.600 -0.061 0.000 2.117 732 M HA -0.218 4.263 4.480 0.002 0.000 0.262 732 M C 2.300 178.861 176.300 0.434 0.000 1.065 732 M CA 1.691 57.115 55.300 0.206 0.000 1.114 732 M CB -0.948 31.673 32.600 0.035 0.000 1.361 732 M HN 0.229 nan 8.290 nan 0.000 0.408 733 Q N 0.796 120.741 119.800 0.242 0.000 2.079 733 Q HA -0.113 4.228 4.340 0.002 0.000 0.200 733 Q C 1.728 177.844 176.000 0.193 0.000 0.974 733 Q CA 1.700 57.633 55.803 0.217 0.000 0.840 733 Q CB -0.122 28.696 28.738 0.133 0.000 0.898 733 Q HN 0.541 nan 8.270 nan 0.000 0.430 734 E N -1.162 119.159 120.200 0.202 0.000 2.085 734 E HA -0.230 4.121 4.350 0.002 0.000 0.194 734 E C 1.710 178.488 176.600 0.296 0.000 0.994 734 E CA 1.299 57.841 56.400 0.237 0.000 0.801 734 E CB -0.280 29.622 29.700 0.337 0.000 0.743 734 E HN 0.489 nan 8.360 nan 0.000 0.453 735 Y N 1.604 122.070 120.300 0.277 0.000 2.163 735 Y HA -0.247 4.304 4.550 0.002 0.000 0.288 735 Y C 2.248 178.191 175.900 0.071 0.000 1.136 735 Y CA 1.703 60.006 58.100 0.339 0.000 1.147 735 Y CB 0.041 38.781 38.460 0.466 0.000 0.987 735 Y HN -0.010 nan 8.280 nan 0.000 0.509 736 D N 0.309 120.770 120.400 0.103 0.000 2.106 736 D HA -0.224 4.417 4.640 0.002 0.000 0.191 736 D C 1.616 177.915 176.300 -0.002 0.000 0.997 736 D CA 1.983 55.845 54.000 -0.230 0.000 0.834 736 D CB -0.382 40.223 40.800 -0.325 0.000 0.956 736 D HN 0.394 nan 8.370 nan 0.000 0.448 737 D N -0.081 120.338 120.400 0.033 0.000 2.123 737 D HA -0.160 4.480 4.640 0.002 0.000 0.196 737 D C 1.973 178.286 176.300 0.021 0.000 0.992 737 D CA 0.909 54.933 54.000 0.040 0.000 0.833 737 D CB -0.227 40.582 40.800 0.015 0.000 0.954 737 D HN 0.355 nan 8.370 nan 0.000 0.455 738 K N -0.927 119.385 120.400 -0.145 0.000 2.062 738 K HA -0.102 4.219 4.320 0.002 0.000 0.205 738 K C 1.301 177.528 176.600 -0.622 0.000 1.051 738 K CA 0.897 56.884 56.287 -0.499 0.000 0.941 738 K CB 0.026 32.057 32.500 -0.782 0.000 0.719 738 K HN 0.181 nan 8.250 nan 0.000 0.440 739 W N -0.106 121.064 121.300 -0.218 0.000 2.870 739 W HA 0.128 4.789 4.660 0.002 0.000 0.358 739 W C 1.308 177.681 176.519 -0.242 0.000 1.043 739 W CA -0.185 56.981 57.345 -0.298 0.000 1.692 739 W CB 0.295 29.465 29.460 -0.484 0.000 1.100 739 W HN 0.316 nan 8.180 nan 0.000 0.557 740 H N 0.158 119.233 119.070 0.007 0.000 2.457 740 H HA -0.234 4.323 4.556 0.002 0.000 0.297 740 H C 2.016 177.379 175.328 0.058 0.000 1.092 740 H CA 1.857 57.907 56.048 0.003 0.000 1.309 740 H CB -0.361 29.390 29.762 -0.019 0.000 1.382 740 H HN 0.125 nan 8.280 nan 0.000 0.535 741 Q N 0.680 120.232 119.800 -0.413 0.000 2.451 741 Q HA -0.030 4.310 4.340 0.002 0.000 0.206 741 Q C -0.155 175.822 176.000 -0.038 0.000 0.947 741 Q CA 0.418 56.091 55.803 -0.217 0.000 0.937 741 Q CB -0.061 28.480 28.738 -0.329 0.000 1.025 741 Q HN 0.449 nan 8.270 nan 0.000 0.511 742 N N 0.987 119.697 118.700 0.017 0.000 2.546 742 N HA 0.222 4.963 4.740 0.002 0.000 0.238 742 N C 0.620 176.152 175.510 0.037 0.000 0.984 742 N CA 0.319 53.395 53.050 0.044 0.000 0.935 742 N CB 1.183 39.730 38.487 0.100 0.000 1.122 742 N HN 0.205 nan 8.380 nan 0.000 0.510 743 G N 3.179 112.004 108.800 0.040 0.000 2.446 743 G HA2 -0.204 3.757 3.960 0.002 0.000 0.217 743 G HA3 -0.204 3.757 3.960 0.002 0.000 0.217 743 G C 1.450 176.377 174.900 0.045 0.000 1.168 743 G CA 0.630 45.770 45.100 0.067 0.000 0.771 743 G HN 0.584 nan 8.290 nan 0.000 0.551 744 L N 0.142 121.352 121.223 -0.022 0.000 2.093 744 L HA -0.067 4.274 4.340 0.002 0.000 0.208 744 L C 2.970 179.800 176.870 -0.067 0.000 1.085 744 L CA 0.382 55.189 54.840 -0.055 0.000 0.755 744 L CB -0.406 41.593 42.059 -0.099 0.000 0.904 744 L HN 0.103 nan 8.230 nan 0.000 0.435 745 V N -0.814 119.025 119.914 -0.125 0.000 2.453 745 V HA -0.243 3.878 4.120 0.002 0.000 0.247 745 V C 2.515 178.631 176.094 0.037 0.000 1.048 745 V CA 1.258 63.437 62.300 -0.202 0.000 1.049 745 V CB -0.358 31.107 31.823 -0.597 0.000 0.672 745 V HN 0.363 nan 8.190 nan 0.000 0.457 746 M N -0.424 119.208 119.600 0.054 0.000 2.296 746 M HA -0.114 4.367 4.480 0.002 0.000 0.265 746 M C 1.883 178.236 176.300 0.089 0.000 1.064 746 M CA 1.242 56.557 55.300 0.025 0.000 1.109 746 M CB -1.323 31.229 32.600 -0.080 0.000 1.396 746 M HN 0.337 nan 8.290 nan 0.000 0.430 747 D N 0.702 121.231 120.400 0.216 0.000 2.158 747 D HA -0.167 4.474 4.640 0.002 0.000 0.197 747 D C 1.927 178.347 176.300 0.199 0.000 0.995 747 D CA 1.202 55.375 54.000 0.289 0.000 0.846 747 D CB -0.120 40.770 40.800 0.151 0.000 0.941 747 D HN 0.400 nan 8.370 nan 0.000 0.456 748 K N -0.816 119.655 120.400 0.117 0.000 2.211 748 K HA -0.135 4.186 4.320 0.002 0.000 0.203 748 K C 2.007 178.613 176.600 0.011 0.000 1.050 748 K CA 0.581 56.904 56.287 0.060 0.000 0.945 748 K CB -0.061 32.467 32.500 0.047 0.000 0.732 748 K HN 0.241 nan 8.250 nan 0.000 0.451 749 W N 0.562 121.707 121.300 -0.257 0.000 2.443 749 W HA -0.064 4.597 4.660 0.001 0.000 0.296 749 W C 1.418 177.785 176.519 -0.253 0.000 1.202 749 W CA 0.902 57.995 57.345 -0.419 0.000 1.312 749 W CB -0.094 29.053 29.460 -0.522 0.000 1.120 749 W HN -0.132 nan 8.180 nan 0.000 0.536 750 F N 0.716 120.804 119.950 0.230 0.000 2.126 750 F HA -0.216 4.312 4.527 0.002 0.000 0.299 750 F C 2.196 177.970 175.800 -0.044 0.000 1.096 750 F CA 1.612 59.656 58.000 0.074 0.000 1.255 750 F CB -1.345 37.761 39.000 0.176 0.000 0.997 750 F HN -0.160 nan 8.300 nan 0.000 0.479 751 I N -0.456 120.210 120.570 0.161 0.000 2.226 751 I HA -0.316 3.855 4.170 0.002 0.000 0.245 751 I C 2.361 178.459 176.117 -0.032 0.000 1.100 751 I CA 1.183 62.520 61.300 0.062 0.000 1.374 751 I CB -0.549 37.480 38.000 0.048 0.000 1.057 751 I HN 0.103 nan 8.210 nan 0.000 0.413 752 L N -0.106 121.046 121.223 -0.119 0.000 2.046 752 L HA -0.231 4.110 4.340 0.002 0.000 0.208 752 L C 2.795 179.519 176.870 -0.243 0.000 1.077 752 L CA 1.243 55.963 54.840 -0.199 0.000 0.747 752 L CB -0.748 41.136 42.059 -0.291 0.000 0.896 752 L HN 0.347 nan 8.230 nan 0.000 0.432 753 Q N -0.001 119.592 119.800 -0.344 0.000 2.030 753 Q HA -0.208 4.133 4.340 0.002 0.000 0.204 753 Q C 2.428 178.349 176.000 -0.132 0.000 0.986 753 Q CA 1.897 57.505 55.803 -0.324 0.000 0.843 753 Q CB -0.446 28.031 28.738 -0.435 0.000 0.904 753 Q HN 0.546 nan 8.270 nan 0.000 0.420 754 A N 1.062 123.860 122.820 -0.035 0.000 1.972 754 A HA -0.125 4.196 4.320 0.002 0.000 0.219 754 A C 2.058 179.705 177.584 0.104 0.000 1.169 754 A CA 2.003 54.096 52.037 0.093 0.000 0.635 754 A CB -0.548 18.531 19.000 0.132 0.000 0.810 754 A HN 0.513 nan 8.150 nan 0.000 0.446 755 T N -2.960 111.601 114.554 0.012 0.000 3.145 755 T HA 0.308 4.659 4.350 0.002 0.000 0.255 755 T C 0.609 175.292 174.700 -0.029 0.000 1.039 755 T CA 0.465 62.558 62.100 -0.011 0.000 0.928 755 T CB -0.394 68.461 68.868 -0.022 0.000 1.029 755 T HN 0.257 nan 8.240 nan 0.000 0.554 756 S N 3.320 118.995 115.700 -0.043 0.000 2.549 756 S HA 0.188 4.659 4.470 0.002 0.000 0.286 756 S C -1.112 173.470 174.600 -0.029 0.000 1.314 756 S CA -1.125 57.038 58.200 -0.061 0.000 1.062 756 S CB 0.819 63.959 63.200 -0.099 0.000 0.865 756 S HN 0.248 nan 8.310 nan 0.000 0.498 757 P HA 0.162 nan 4.420 nan 0.000 0.245 757 P C 0.132 177.424 177.300 -0.013 0.000 1.212 757 P CA 0.070 63.167 63.100 -0.006 0.000 0.774 757 P CB -0.326 31.386 31.700 0.020 0.000 0.999 758 A N 0.628 123.429 122.820 -0.031 0.000 2.498 758 A HA 0.361 4.682 4.320 0.002 0.000 0.239 758 A C 1.853 179.421 177.584 -0.027 0.000 1.068 758 A CA 0.401 52.416 52.037 -0.037 0.000 0.766 758 A CB 0.033 18.997 19.000 -0.059 0.000 1.003 758 A HN 0.181 nan 8.150 nan 0.000 0.497 759 A N 2.139 124.944 122.820 -0.025 0.000 1.978 759 A HA -0.174 4.147 4.320 0.002 0.000 0.220 759 A C 1.497 179.063 177.584 -0.031 0.000 1.170 759 A CA 1.841 53.865 52.037 -0.022 0.000 0.636 759 A CB -0.565 18.422 19.000 -0.021 0.000 0.810 759 A HN 1.059 nan 8.150 nan 0.000 0.448 760 N N 0.197 118.870 118.700 -0.043 0.000 2.327 760 N HA 0.047 4.788 4.740 0.002 0.000 0.231 760 N C 0.868 176.330 175.510 -0.080 0.000 1.130 760 N CA 0.552 53.566 53.050 -0.060 0.000 0.845 760 N CB -0.144 38.306 38.487 -0.061 0.000 1.073 760 N HN 0.176 nan 8.380 nan 0.000 0.496 761 V N 0.389 120.270 119.914 -0.055 0.000 2.332 761 V HA -0.206 3.915 4.120 0.002 0.000 0.248 761 V C 2.081 178.082 176.094 -0.156 0.000 1.055 761 V CA 1.367 63.632 62.300 -0.059 0.000 1.038 761 V CB -0.422 31.420 31.823 0.032 0.000 0.651 761 V HN 0.356 nan 8.190 nan 0.000 0.450 762 L N 0.618 121.736 121.223 -0.174 0.000 2.046 762 L HA -0.176 4.164 4.340 0.002 0.000 0.208 762 L C 2.440 179.035 176.870 -0.459 0.000 1.077 762 L CA 2.712 57.268 54.840 -0.473 0.000 0.747 762 L CB -1.017 40.828 42.059 -0.356 0.000 0.896 762 L HN 0.579 nan 8.230 nan 0.000 0.432 763 E N -1.349 118.690 120.200 -0.267 0.000 2.085 763 E HA -0.226 4.125 4.350 0.002 0.000 0.194 763 E C 1.854 178.330 176.600 -0.207 0.000 0.994 763 E CA 1.861 58.136 56.400 -0.209 0.000 0.801 763 E CB -0.055 29.567 29.700 -0.130 0.000 0.743 763 E HN 0.588 nan 8.360 nan 0.000 0.453 764 T N 0.414 114.853 114.554 -0.193 0.000 2.708 764 T HA -0.130 4.221 4.350 0.002 0.000 0.266 764 T C 1.962 176.537 174.700 -0.208 0.000 1.037 764 T CA 1.302 63.305 62.100 -0.162 0.000 1.146 764 T CB -0.272 68.507 68.868 -0.148 0.000 0.865 764 T HN 0.022 nan 8.240 nan 0.000 0.435 765 V N 1.614 121.331 119.914 -0.329 0.000 2.282 765 V HA -0.247 3.874 4.120 0.002 0.000 0.249 765 V C 2.669 178.500 176.094 -0.438 0.000 1.057 765 V CA 1.770 63.810 62.300 -0.433 0.000 1.032 765 V CB -0.600 30.795 31.823 -0.714 0.000 0.645 765 V HN 0.397 nan 8.190 nan 0.000 0.447 766 R N -0.055 120.146 120.500 -0.498 0.000 2.083 766 R HA -0.135 4.206 4.340 0.002 0.000 0.237 766 R C 2.505 178.720 176.300 -0.142 0.000 1.137 766 R CA 1.577 57.502 56.100 -0.290 0.000 0.951 766 R CB -0.953 29.202 30.300 -0.242 0.000 0.851 766 R HN 0.608 nan 8.270 nan 0.000 0.434 767 G N 1.177 109.905 108.800 -0.120 0.000 2.440 767 G HA2 -0.236 3.725 3.960 0.002 0.000 0.218 767 G HA3 -0.236 3.725 3.960 0.002 0.000 0.218 767 G C 1.402 176.311 174.900 0.015 0.000 1.154 767 G CA 0.516 45.595 45.100 -0.035 0.000 0.767 767 G HN 0.168 nan 8.290 nan 0.000 0.552 768 L N 0.237 121.456 121.223 -0.008 0.000 2.353 768 L HA 0.030 4.371 4.340 0.002 0.000 0.220 768 L C 2.606 179.403 176.870 -0.121 0.000 1.133 768 L CA 0.071 54.955 54.840 0.074 0.000 0.798 768 L CB -0.311 41.798 42.059 0.084 0.000 0.922 768 L HN 0.208 nan 8.230 nan 0.000 0.445 769 L N -0.563 120.503 121.223 -0.262 0.000 2.261 769 L HA -0.207 4.134 4.340 0.002 0.000 0.216 769 L C 2.102 179.022 176.870 0.083 0.000 1.114 769 L CA 0.788 55.453 54.840 -0.291 0.000 0.777 769 L CB -0.381 41.602 42.059 -0.127 0.000 0.910 769 L HN 0.396 nan 8.230 nan 0.000 0.440 770 Q N -1.824 118.044 119.800 0.112 0.000 2.319 770 Q HA 0.095 4.436 4.340 0.002 0.000 0.202 770 Q C 0.521 176.651 176.000 0.217 0.000 0.896 770 Q CA 0.121 56.018 55.803 0.157 0.000 0.942 770 Q CB -0.173 28.622 28.738 0.095 0.000 1.083 770 Q HN 0.422 nan 8.270 nan 0.000 0.510 771 H N 2.243 121.445 119.070 0.220 0.000 2.897 771 H HA 0.001 4.558 4.556 0.002 0.000 0.347 771 H C 1.314 176.818 175.328 0.294 0.000 1.068 771 H CA 0.588 56.811 56.048 0.292 0.000 1.426 771 H CB 0.840 30.895 29.762 0.488 0.000 1.410 771 H HN 0.171 nan 8.280 nan 0.000 0.597 772 R N 1.872 122.290 120.500 -0.138 0.000 2.139 772 R HA -0.097 4.243 4.340 0.002 0.000 0.243 772 R C 1.207 177.685 176.300 0.297 0.000 1.145 772 R CA 1.843 57.962 56.100 0.031 0.000 0.976 772 R CB -0.159 30.061 30.300 -0.133 0.000 0.866 772 R HN 0.255 nan 8.270 nan 0.000 0.449 773 S N -0.354 115.743 115.700 0.662 0.000 2.556 773 S HA 0.141 4.612 4.470 0.002 0.000 0.216 773 S C -0.232 174.776 174.600 0.680 0.000 0.970 773 S CA -0.437 58.139 58.200 0.628 0.000 0.912 773 S CB 0.001 63.533 63.200 0.554 0.000 0.790 773 S HN 0.270 nan 8.310 nan 0.000 0.504 774 F N 2.186 122.420 119.950 0.473 0.000 2.425 774 F HA 0.613 5.141 4.527 0.002 0.000 0.331 774 F C 0.050 175.900 175.800 0.084 0.000 1.085 774 F CA -0.099 57.959 58.000 0.097 0.000 1.028 774 F CB 1.621 40.545 39.000 -0.127 0.000 1.177 774 F HN -0.149 nan 8.300 nan 0.000 0.487 775 T N 6.643 120.640 114.554 -0.928 0.000 3.041 775 T HA 0.225 4.576 4.350 0.002 0.000 0.321 775 T C 0.516 174.696 174.700 -0.867 0.000 1.184 775 T CA -0.769 60.976 62.100 -0.592 0.000 1.050 775 T CB 1.038 69.811 68.868 -0.159 0.000 1.159 775 T HN 0.646 nan 8.240 nan 0.000 0.469 776 M N 2.835 122.196 119.600 -0.399 0.000 2.549 776 M HA 0.014 4.495 4.480 0.002 0.000 0.260 776 M C 2.259 178.494 176.300 -0.108 0.000 1.076 776 M CA 1.121 56.313 55.300 -0.179 0.000 1.090 776 M CB -1.256 31.359 32.600 0.025 0.000 1.418 776 M HN 0.801 nan 8.290 nan 0.000 0.486 777 S N -0.616 115.048 115.700 -0.060 0.000 2.562 777 S HA 0.006 4.477 4.470 0.002 0.000 0.221 777 S C 0.768 175.492 174.600 0.206 0.000 0.975 777 S CA -0.081 58.160 58.200 0.069 0.000 0.918 777 S CB -0.164 63.099 63.200 0.105 0.000 0.772 777 S HN 0.468 nan 8.310 nan 0.000 0.531 778 N N 1.604 120.315 118.700 0.017 0.000 2.479 778 N HA 0.349 5.090 4.740 0.002 0.000 0.261 778 N C -2.586 172.828 175.510 -0.159 0.000 0.979 778 N CA -1.937 51.050 53.050 -0.106 0.000 0.930 778 N CB 2.084 40.369 38.487 -0.336 0.000 1.172 778 N HN -0.105 nan 8.380 nan 0.000 0.499 779 P HA -0.097 nan 4.420 nan 0.000 0.216 779 P C 0.877 178.126 177.300 -0.085 0.000 1.150 779 P CA 1.148 64.200 63.100 -0.081 0.000 0.843 779 P CB 0.460 32.122 31.700 -0.063 0.000 0.787 780 N N -0.956 117.677 118.700 -0.112 0.000 2.084 780 N HA -0.131 4.609 4.740 0.002 0.000 0.190 780 N C 1.732 177.215 175.510 -0.045 0.000 1.030 780 N CA 1.155 54.156 53.050 -0.081 0.000 0.849 780 N CB -0.569 37.853 38.487 -0.107 0.000 1.012 780 N HN 0.061 nan 8.380 nan 0.000 0.423 781 R N 0.969 121.405 120.500 -0.107 0.000 2.073 781 R HA 0.033 4.374 4.340 0.002 0.000 0.234 781 R C 2.412 178.711 176.300 -0.002 0.000 1.134 781 R CA 0.563 56.595 56.100 -0.112 0.000 0.952 781 R CB -1.143 28.908 30.300 -0.415 0.000 0.850 781 R HN 0.347 nan 8.270 nan 0.000 0.433 782 I N 0.734 121.267 120.570 -0.061 0.000 2.151 782 I HA -0.314 3.857 4.170 0.002 0.000 0.243 782 I C 2.556 178.735 176.117 0.103 0.000 1.080 782 I CA 1.580 62.941 61.300 0.103 0.000 1.339 782 I CB -0.257 37.749 38.000 0.010 0.000 1.039 782 I HN 0.133 nan 8.210 nan 0.000 0.409 783 R N 0.460 120.984 120.500 0.039 0.000 2.092 783 R HA -0.124 4.217 4.340 0.002 0.000 0.231 783 R C 2.513 178.853 176.300 0.066 0.000 1.119 783 R CA 1.717 57.839 56.100 0.036 0.000 0.970 783 R CB -0.391 29.912 30.300 0.006 0.000 0.864 783 R HN 0.483 nan 8.270 nan 0.000 0.440 784 S N 0.222 115.977 115.700 0.092 0.000 2.428 784 S HA -0.069 4.402 4.470 0.002 0.000 0.230 784 S C 1.775 176.475 174.600 0.166 0.000 1.014 784 S CA 0.615 58.900 58.200 0.142 0.000 0.957 784 S CB -0.021 63.310 63.200 0.219 0.000 0.784 784 S HN 0.174 nan 8.310 nan 0.000 0.499 785 L N 0.821 122.114 121.223 0.116 0.000 2.276 785 L HA 0.496 4.837 4.340 0.002 0.000 0.194 785 L C 2.127 179.059 176.870 0.102 0.000 1.099 785 L CA 1.084 55.949 54.840 0.041 0.000 0.800 785 L CB -0.549 41.358 42.059 -0.253 0.000 0.994 785 L HN 0.248 nan 8.230 nan 0.000 0.475 786 I N -0.354 120.294 120.570 0.129 0.000 2.277 786 I HA -0.070 4.101 4.170 0.002 0.000 0.243 786 I C 2.422 178.651 176.117 0.187 0.000 1.094 786 I CA 1.178 62.604 61.300 0.209 0.000 1.393 786 I CB -1.036 37.038 38.000 0.124 0.000 1.078 786 I HN 0.396 nan 8.210 nan 0.000 0.417 787 G N 0.661 109.520 108.800 0.099 0.000 2.440 787 G HA2 -0.253 3.708 3.960 0.002 0.000 0.218 787 G HA3 -0.253 3.708 3.960 0.002 0.000 0.218 787 G C 1.861 176.779 174.900 0.030 0.000 1.154 787 G CA 0.889 46.012 45.100 0.037 0.000 0.767 787 G HN 0.478 nan 8.290 nan 0.000 0.552 788 A N 0.243 123.104 122.820 0.069 0.000 1.933 788 A HA 0.087 4.408 4.320 0.002 0.000 0.218 788 A C 2.149 179.771 177.584 0.063 0.000 1.175 788 A CA 1.555 53.625 52.037 0.054 0.000 0.628 788 A CB -0.511 18.533 19.000 0.073 0.000 0.814 788 A HN 0.413 nan 8.150 nan 0.000 0.444 789 F N 1.005 120.951 119.950 -0.006 0.000 2.075 789 F HA -0.073 4.455 4.527 0.002 0.000 0.297 789 F C 2.515 178.298 175.800 -0.028 0.000 1.113 789 F CA 1.525 59.527 58.000 0.003 0.000 1.218 789 F CB -0.527 38.500 39.000 0.046 0.000 0.984 789 F HN 0.234 nan 8.300 nan 0.000 0.472 790 A N -0.106 122.642 122.820 -0.122 0.000 1.898 790 A HA 0.035 4.356 4.320 0.002 0.000 0.216 790 A C 2.379 179.572 177.584 -0.653 0.000 1.181 790 A CA 1.613 53.260 52.037 -0.651 0.000 0.620 790 A CB -1.670 16.980 19.000 -0.583 0.000 0.819 790 A HN 0.534 nan 8.150 nan 0.000 0.442 791 G N -1.954 106.658 108.800 -0.314 0.000 2.492 791 G HA2 0.159 4.120 3.960 0.002 0.000 0.214 791 G HA3 0.159 4.120 3.960 0.002 0.000 0.214 791 G C 1.335 176.170 174.900 -0.108 0.000 1.147 791 G CA 1.101 46.087 45.100 -0.191 0.000 0.809 791 G HN 0.481 nan 8.290 nan 0.000 0.533 792 S N -0.130 115.510 115.700 -0.100 0.000 2.603 792 S HA 0.177 4.648 4.470 0.002 0.000 0.232 792 S C 0.578 175.135 174.600 -0.071 0.000 1.016 792 S CA -0.430 57.737 58.200 -0.056 0.000 0.976 792 S CB 0.349 63.532 63.200 -0.028 0.000 0.921 792 S HN 0.239 nan 8.310 nan 0.000 0.516 793 N N 2.362 120.973 118.700 -0.148 0.000 2.914 793 N HA 0.281 5.022 4.740 0.002 0.000 0.304 793 N C -2.315 173.093 175.510 -0.170 0.000 1.727 793 N CA -2.115 50.830 53.050 -0.175 0.000 0.986 793 N CB 0.780 39.123 38.487 -0.241 0.000 1.297 793 N HN 0.042 nan 8.380 nan 0.000 0.490 794 P HA -0.086 nan 4.420 nan 0.000 0.219 794 P C 1.110 178.514 177.300 0.173 0.000 1.146 794 P CA 0.798 64.008 63.100 0.182 0.000 0.808 794 P CB 0.303 32.176 31.700 0.289 0.000 0.779 795 A N 0.427 123.278 122.820 0.052 0.000 1.908 795 A HA -0.121 4.200 4.320 0.002 0.000 0.218 795 A C 2.402 179.971 177.584 -0.024 0.000 1.181 795 A CA 2.441 54.491 52.037 0.022 0.000 0.627 795 A CB -1.480 17.514 19.000 -0.010 0.000 0.818 795 A HN 0.254 nan 8.150 nan 0.000 0.445 796 A N -1.748 121.014 122.820 -0.097 0.000 1.903 796 A HA 0.169 4.490 4.320 0.002 0.000 0.213 796 A C 1.981 179.428 177.584 -0.228 0.000 1.185 796 A CA 1.188 53.157 52.037 -0.113 0.000 0.628 796 A CB -0.647 18.334 19.000 -0.031 0.000 0.830 796 A HN 0.638 nan 8.150 nan 0.000 0.446 797 F N 0.785 120.352 119.950 -0.639 0.000 2.161 797 F HA -0.193 4.335 4.527 0.002 0.000 0.300 797 F C 1.729 177.193 175.800 -0.559 0.000 1.089 797 F CA 1.809 59.415 58.000 -0.657 0.000 1.282 797 F CB -0.178 38.406 39.000 -0.693 0.000 1.010 797 F HN 0.368 nan 8.300 nan 0.000 0.485 798 H N 0.446 119.286 119.070 -0.383 0.000 2.568 798 H HA 0.438 4.995 4.556 0.002 0.000 0.302 798 H C 0.694 175.830 175.328 -0.321 0.000 1.065 798 H CA 0.222 56.022 56.048 -0.414 0.000 1.140 798 H CB -0.908 28.762 29.762 -0.153 0.000 1.474 798 H HN 0.197 nan 8.280 nan 0.000 0.545 799 A N 1.070 123.729 122.820 -0.267 0.000 2.565 799 A HA -0.072 4.249 4.320 0.002 0.000 0.237 799 A C 1.425 178.903 177.584 -0.176 0.000 1.053 799 A CA 0.015 51.950 52.037 -0.169 0.000 0.755 799 A CB 0.348 19.258 19.000 -0.150 0.000 0.980 799 A HN 0.490 nan 8.150 nan 0.000 0.506 800 E N 1.125 121.279 120.200 -0.077 0.000 2.209 800 E HA -0.216 4.135 4.350 0.002 0.000 0.196 800 E C 0.759 177.332 176.600 -0.046 0.000 0.993 800 E CA 1.337 57.715 56.400 -0.037 0.000 0.819 800 E CB -0.038 29.659 29.700 -0.006 0.000 0.745 800 E HN 0.933 nan 8.360 nan 0.000 0.477 801 D N -0.432 119.924 120.400 -0.073 0.000 2.363 801 D HA -0.033 4.608 4.640 0.002 0.000 0.226 801 D C 1.329 177.578 176.300 -0.084 0.000 1.020 801 D CA 0.843 54.807 54.000 -0.060 0.000 0.892 801 D CB -0.158 40.610 40.800 -0.054 0.000 0.900 801 D HN 0.193 nan 8.370 nan 0.000 0.531 802 G N 0.249 108.937 108.800 -0.186 0.000 2.168 802 G HA2 -0.392 3.569 3.960 0.002 0.000 0.263 802 G HA3 -0.392 3.569 3.960 0.002 0.000 0.263 802 G C 1.238 175.975 174.900 -0.272 0.000 0.977 802 G CA 1.142 46.090 45.100 -0.253 0.000 0.659 802 G HN 0.673 nan 8.290 nan 0.000 0.533 803 S N -0.361 115.208 115.700 -0.219 0.000 2.382 803 S HA 0.065 4.536 4.470 0.002 0.000 0.228 803 S C 2.510 177.053 174.600 -0.094 0.000 1.027 803 S CA 1.666 59.795 58.200 -0.119 0.000 0.991 803 S CB -0.775 62.371 63.200 -0.089 0.000 0.823 803 S HN 1.566 nan 8.310 nan 0.000 0.469 804 G N 0.665 109.310 108.800 -0.259 0.000 2.418 804 G HA2 -0.129 3.832 3.960 0.002 0.000 0.217 804 G HA3 -0.129 3.832 3.960 0.002 0.000 0.217 804 G C 1.213 176.094 174.900 -0.031 0.000 1.158 804 G CA 0.982 46.035 45.100 -0.078 0.000 0.771 804 G HN 0.605 nan 8.290 nan 0.000 0.545 805 Y N 0.732 120.900 120.300 -0.219 0.000 2.181 805 Y HA 0.063 4.614 4.550 0.002 0.000 0.288 805 Y C 2.763 178.694 175.900 0.051 0.000 1.146 805 Y CA 0.199 58.229 58.100 -0.116 0.000 1.164 805 Y CB -0.951 37.400 38.460 -0.183 0.000 0.982 805 Y HN 0.078 nan 8.280 nan 0.000 0.515 806 L N -1.631 119.694 121.223 0.169 0.000 2.056 806 L HA -0.212 4.129 4.340 0.002 0.000 0.207 806 L C 2.363 179.321 176.870 0.146 0.000 1.078 806 L CA 1.413 56.331 54.840 0.131 0.000 0.749 806 L CB -0.728 41.383 42.059 0.086 0.000 0.901 806 L HN 0.170 nan 8.230 nan 0.000 0.433 807 F N 0.868 120.841 119.950 0.040 0.000 2.069 807 F HA -0.283 4.245 4.527 0.002 0.000 0.298 807 F C 2.259 178.103 175.800 0.073 0.000 1.113 807 F CA 1.656 59.667 58.000 0.017 0.000 1.214 807 F CB -0.396 38.579 39.000 -0.043 0.000 0.978 807 F HN -0.090 nan 8.300 nan 0.000 0.474 808 L N 0.003 121.248 121.223 0.037 0.000 2.046 808 L HA -0.158 4.183 4.340 0.002 0.000 0.208 808 L C 2.337 179.172 176.870 -0.059 0.000 1.077 808 L CA 1.611 56.436 54.840 -0.025 0.000 0.747 808 L CB -0.985 41.261 42.059 0.312 0.000 0.896 808 L HN 0.087 nan 8.230 nan 0.000 0.432 809 V N -0.202 119.728 119.914 0.026 0.000 2.282 809 V HA -0.370 3.751 4.120 0.002 0.000 0.249 809 V C 2.601 178.664 176.094 -0.051 0.000 1.057 809 V CA 2.211 64.514 62.300 0.005 0.000 1.032 809 V CB -0.728 31.119 31.823 0.040 0.000 0.645 809 V HN 0.600 nan 8.190 nan 0.000 0.447 810 E N -0.605 119.544 120.200 -0.085 0.000 2.085 810 E HA -0.252 4.099 4.350 0.002 0.000 0.194 810 E C 2.288 178.794 176.600 -0.157 0.000 0.994 810 E CA 1.564 57.902 56.400 -0.103 0.000 0.801 810 E CB -0.054 29.595 29.700 -0.085 0.000 0.743 810 E HN 0.404 nan 8.360 nan 0.000 0.453 811 M N 0.147 119.572 119.600 -0.292 0.000 2.132 811 M HA -0.112 4.368 4.480 0.002 0.000 0.263 811 M C 2.386 178.607 176.300 -0.131 0.000 1.065 811 M CA 1.134 56.277 55.300 -0.261 0.000 1.122 811 M CB -0.809 31.534 32.600 -0.428 0.000 1.365 811 M HN 0.198 nan 8.290 nan 0.000 0.411 812 L N -0.734 120.425 121.223 -0.107 0.000 2.217 812 L HA -0.121 4.220 4.340 0.002 0.000 0.211 812 L C 2.336 179.183 176.870 -0.037 0.000 1.107 812 L CA 0.823 55.629 54.840 -0.057 0.000 0.783 812 L CB -0.897 41.141 42.059 -0.036 0.000 0.919 812 L HN 0.289 nan 8.230 nan 0.000 0.442 813 T N -1.035 113.497 114.554 -0.038 0.000 2.821 813 T HA -0.204 4.147 4.350 0.002 0.000 0.267 813 T C 1.602 176.290 174.700 -0.019 0.000 1.046 813 T CA 1.525 63.613 62.100 -0.020 0.000 1.139 813 T CB -0.178 68.681 68.868 -0.016 0.000 0.871 813 T HN 0.398 nan 8.240 nan 0.000 0.454 814 D N 1.353 121.737 120.400 -0.028 0.000 2.077 814 D HA -0.061 4.580 4.640 0.002 0.000 0.196 814 D C 2.102 178.390 176.300 -0.020 0.000 0.986 814 D CA 1.075 55.064 54.000 -0.019 0.000 0.829 814 D CB -0.289 40.501 40.800 -0.016 0.000 0.983 814 D HN 0.317 nan 8.370 nan 0.000 0.453 815 L N 0.495 121.701 121.223 -0.029 0.000 2.201 815 L HA -0.118 4.223 4.340 0.002 0.000 0.212 815 L C 2.365 179.217 176.870 -0.031 0.000 1.105 815 L CA 0.806 55.627 54.840 -0.032 0.000 0.775 815 L CB -0.649 41.388 42.059 -0.038 0.000 0.913 815 L HN 0.121 nan 8.230 nan 0.000 0.440 816 N N -0.068 118.618 118.700 -0.023 0.000 2.091 816 N HA -0.214 4.527 4.740 0.002 0.000 0.193 816 N C 1.781 177.283 175.510 -0.014 0.000 1.021 816 N CA 2.052 55.093 53.050 -0.014 0.000 0.862 816 N CB 0.043 38.529 38.487 -0.002 0.000 1.018 816 N HN 0.144 nan 8.380 nan 0.000 0.429 817 S N -0.824 114.867 115.700 -0.014 0.000 2.421 817 S HA 0.081 4.552 4.470 0.002 0.000 0.224 817 S C 1.776 176.363 174.600 -0.022 0.000 1.035 817 S CA 0.157 58.349 58.200 -0.012 0.000 0.953 817 S CB -0.063 63.133 63.200 -0.007 0.000 0.810 817 S HN 0.366 nan 8.310 nan 0.000 0.497 818 R N 1.403 121.887 120.500 -0.027 0.000 2.055 818 R HA 0.075 4.416 4.340 0.002 0.000 0.226 818 R C -0.034 176.232 176.300 -0.057 0.000 1.135 818 R CA 1.188 57.267 56.100 -0.035 0.000 0.959 818 R CB 0.141 30.424 30.300 -0.028 0.000 0.854 818 R HN 0.251 nan 8.270 nan 0.000 0.431 819 N N -0.609 118.054 118.700 -0.063 0.000 2.827 819 N HA 0.147 4.888 4.740 0.002 0.000 0.240 819 N C -2.512 172.948 175.510 -0.083 0.000 1.352 819 N CA -1.457 51.539 53.050 -0.091 0.000 0.760 819 N CB 1.790 40.218 38.487 -0.098 0.000 1.426 819 N HN -0.107 nan 8.380 nan 0.000 0.561 820 P HA -0.089 nan 4.420 nan 0.000 0.218 820 P C 1.103 178.358 177.300 -0.075 0.000 1.149 820 P CA 1.193 64.257 63.100 -0.060 0.000 0.817 820 P CB 0.595 32.268 31.700 -0.045 0.000 0.785 821 Q N -0.623 119.112 119.800 -0.109 0.000 2.050 821 Q HA -0.098 4.243 4.340 0.002 0.000 0.202 821 Q C 2.102 178.037 176.000 -0.109 0.000 0.980 821 Q CA 1.334 57.063 55.803 -0.123 0.000 0.840 821 Q CB -0.719 27.911 28.738 -0.180 0.000 0.898 821 Q HN 0.103 nan 8.270 nan 0.000 0.424 822 V N 0.874 120.723 119.914 -0.107 0.000 2.427 822 V HA -0.260 3.861 4.120 0.002 0.000 0.248 822 V C 2.240 178.296 176.094 -0.065 0.000 1.051 822 V CA 1.678 63.927 62.300 -0.085 0.000 1.048 822 V CB -0.942 30.832 31.823 -0.081 0.000 0.666 822 V HN 0.388 nan 8.190 nan 0.000 0.456 823 A N -0.576 122.208 122.820 -0.060 0.000 1.908 823 A HA -0.252 4.069 4.320 0.002 0.000 0.218 823 A C 2.564 180.121 177.584 -0.046 0.000 1.181 823 A CA 2.313 54.321 52.037 -0.047 0.000 0.627 823 A CB -0.774 18.203 19.000 -0.039 0.000 0.818 823 A HN 0.489 nan 8.150 nan 0.000 0.445 824 S N -0.798 114.872 115.700 -0.051 0.000 2.383 824 S HA -0.147 4.324 4.470 0.002 0.000 0.227 824 S C 2.149 176.714 174.600 -0.059 0.000 1.026 824 S CA 1.201 59.371 58.200 -0.051 0.000 0.981 824 S CB -0.347 62.820 63.200 -0.054 0.000 0.818 824 S HN 0.615 nan 8.310 nan 0.000 0.472 825 R N -0.023 120.438 120.500 -0.064 0.000 2.091 825 R HA -0.036 4.305 4.340 0.002 0.000 0.238 825 R C 1.977 178.242 176.300 -0.058 0.000 1.136 825 R CA 1.445 57.508 56.100 -0.061 0.000 0.959 825 R CB -0.477 29.786 30.300 -0.061 0.000 0.856 825 R HN 0.332 nan 8.270 nan 0.000 0.437 826 L N 0.382 121.572 121.223 -0.056 0.000 2.313 826 L HA -0.008 4.333 4.340 0.002 0.000 0.214 826 L C 2.042 178.871 176.870 -0.067 0.000 1.119 826 L CA 1.094 55.897 54.840 -0.061 0.000 0.809 826 L CB -0.203 41.827 42.059 -0.048 0.000 0.933 826 L HN 0.167 nan 8.230 nan 0.000 0.449 827 I N -0.933 119.609 120.570 -0.047 0.000 2.830 827 I HA -0.208 3.963 4.170 0.002 0.000 0.263 827 I C 2.249 178.348 176.117 -0.030 0.000 1.230 827 I CA 0.436 61.719 61.300 -0.028 0.000 1.480 827 I CB 0.261 38.251 38.000 -0.016 0.000 1.095 827 I HN 0.261 nan 8.210 nan 0.000 0.455 828 E N 1.584 121.757 120.200 -0.045 0.000 2.070 828 E HA -0.220 4.131 4.350 0.002 0.000 0.197 828 E C -0.738 175.855 176.600 -0.011 0.000 1.004 828 E CA 1.951 58.335 56.400 -0.027 0.000 0.805 828 E CB -1.032 28.650 29.700 -0.030 0.000 0.744 828 E HN 0.353 nan 8.360 nan 0.000 0.451 829 P HA -0.137 nan 4.420 nan 0.000 0.219 829 P C 1.086 178.449 177.300 0.105 0.000 1.146 829 P CA 0.807 63.857 63.100 -0.083 0.000 0.808 829 P CB 0.064 31.443 31.700 -0.535 0.000 0.779 830 L N -0.378 120.905 121.223 0.100 0.000 2.270 830 L HA 0.043 4.383 4.340 0.002 0.000 0.210 830 L C 1.879 178.796 176.870 0.077 0.000 1.104 830 L CA 1.147 56.074 54.840 0.144 0.000 0.804 830 L CB -1.012 41.124 42.059 0.128 0.000 0.937 830 L HN -0.055 nan 8.230 nan 0.000 0.450 831 I N -3.668 116.943 120.570 0.068 0.000 3.444 831 I HA -0.004 4.167 4.170 0.002 0.000 0.287 831 I C 1.304 177.481 176.117 0.100 0.000 1.302 831 I CA 0.461 61.796 61.300 0.059 0.000 1.368 831 I CB -0.346 37.673 38.000 0.031 0.000 1.048 831 I HN 0.004 nan 8.210 nan 0.000 0.487 832 R N 2.063 122.661 120.500 0.163 0.000 2.335 832 R HA 0.166 4.507 4.340 0.002 0.000 0.223 832 R C 2.068 178.564 176.300 0.327 0.000 0.940 832 R CA 0.373 56.618 56.100 0.242 0.000 1.086 832 R CB -0.688 29.813 30.300 0.335 0.000 1.073 832 R HN 0.637 nan 8.270 nan 0.000 0.504 833 L N -1.013 120.343 121.223 0.222 0.000 2.081 833 L HA -0.155 4.186 4.340 0.002 0.000 0.212 833 L C 1.628 178.636 176.870 0.229 0.000 1.080 833 L CA 1.613 56.577 54.840 0.207 0.000 0.754 833 L CB -0.580 41.506 42.059 0.044 0.000 0.893 833 L HN -0.053 nan 8.230 nan 0.000 0.433 834 K N -0.061 120.426 120.400 0.146 0.000 2.362 834 K HA -0.027 4.294 4.320 0.002 0.000 0.200 834 K C 1.941 178.575 176.600 0.056 0.000 1.046 834 K CA 0.550 56.891 56.287 0.090 0.000 0.952 834 K CB -0.068 32.469 32.500 0.062 0.000 0.753 834 K HN 0.358 nan 8.250 nan 0.000 0.466 835 R N -0.002 120.525 120.500 0.044 0.000 2.307 835 R HA 0.036 4.377 4.340 0.002 0.000 0.199 835 R C 0.327 176.373 176.300 -0.424 0.000 1.000 835 R CA 0.674 56.664 56.100 -0.184 0.000 1.023 835 R CB -0.157 29.979 30.300 -0.274 0.000 0.908 835 R HN 0.189 nan 8.270 nan 0.000 0.473 836 Y N 0.269 120.559 120.300 -0.017 0.000 2.602 836 Y HA 0.133 4.684 4.550 0.002 0.000 0.330 836 Y C 0.536 176.422 175.900 -0.024 0.000 1.114 836 Y CA -1.832 56.238 58.100 -0.050 0.000 1.182 836 Y CB 0.636 39.045 38.460 -0.084 0.000 1.305 836 Y HN 0.030 nan 8.280 nan 0.000 0.502 837 D N -0.136 120.346 120.400 0.137 0.000 2.368 837 D HA 0.264 4.905 4.640 0.002 0.000 0.240 837 D C 0.938 177.286 176.300 0.080 0.000 1.169 837 D CA 0.129 54.175 54.000 0.076 0.000 0.906 837 D CB 1.038 41.873 40.800 0.059 0.000 1.187 837 D HN 0.652 nan 8.370 nan 0.000 0.435 838 A N 1.631 124.483 122.820 0.053 0.000 1.903 838 A HA -0.322 3.999 4.320 0.002 0.000 0.219 838 A C 2.025 179.637 177.584 0.046 0.000 1.191 838 A CA 2.161 54.224 52.037 0.044 0.000 0.638 838 A CB -0.926 18.094 19.000 0.032 0.000 0.823 838 A HN 0.749 nan 8.150 nan 0.000 0.451 839 K N -0.657 119.773 120.400 0.050 0.000 2.026 839 K HA -0.167 4.154 4.320 0.002 0.000 0.208 839 K C 2.338 178.979 176.600 0.069 0.000 1.048 839 K CA 1.480 57.798 56.287 0.052 0.000 0.929 839 K CB -0.195 32.334 32.500 0.049 0.000 0.713 839 K HN 0.474 nan 8.250 nan 0.000 0.439 840 R N 0.359 120.914 120.500 0.092 0.000 2.081 840 R HA -0.120 4.221 4.340 0.002 0.000 0.235 840 R C 2.568 178.872 176.300 0.007 0.000 1.131 840 R CA 1.648 57.817 56.100 0.114 0.000 0.960 840 R CB -0.232 30.161 30.300 0.154 0.000 0.856 840 R HN 0.373 nan 8.270 nan 0.000 0.436 841 Q N 0.412 120.232 119.800 0.033 0.000 2.077 841 Q HA -0.261 4.080 4.340 0.002 0.000 0.206 841 Q C 2.076 178.058 176.000 -0.030 0.000 0.989 841 Q CA 1.810 57.615 55.803 0.003 0.000 0.853 841 Q CB -0.089 28.673 28.738 0.040 0.000 0.907 841 Q HN 0.400 nan 8.270 nan 0.000 0.418 842 E N 0.853 121.051 120.200 -0.003 0.000 2.033 842 E HA -0.251 4.100 4.350 0.002 0.000 0.199 842 E C 1.798 178.385 176.600 -0.021 0.000 1.011 842 E CA 1.593 57.992 56.400 -0.002 0.000 0.815 842 E CB 0.114 29.824 29.700 0.017 0.000 0.755 842 E HN 0.200 nan 8.360 nan 0.000 0.451 843 K N -0.341 120.050 120.400 -0.014 0.000 2.057 843 K HA -0.138 4.183 4.320 0.002 0.000 0.207 843 K C 2.266 178.764 176.600 -0.169 0.000 1.049 843 K CA 1.785 58.068 56.287 -0.007 0.000 0.931 843 K CB -0.143 32.452 32.500 0.158 0.000 0.714 843 K HN 0.263 nan 8.250 nan 0.000 0.440 844 M N -0.008 119.359 119.600 -0.388 0.000 2.175 844 M HA -0.110 4.371 4.480 0.002 0.000 0.264 844 M C 2.360 178.540 176.300 -0.200 0.000 1.063 844 M CA 1.312 56.309 55.300 -0.505 0.000 1.119 844 M CB -0.166 32.103 32.600 -0.552 0.000 1.377 844 M HN 0.068 nan 8.290 nan 0.000 0.415 845 R N 0.675 121.103 120.500 -0.120 0.000 2.081 845 R HA -0.130 4.211 4.340 0.002 0.000 0.235 845 R C 2.205 178.484 176.300 -0.036 0.000 1.131 845 R CA 1.685 57.752 56.100 -0.055 0.000 0.960 845 R CB -0.268 30.014 30.300 -0.030 0.000 0.856 845 R HN 0.364 nan 8.270 nan 0.000 0.436 846 A N 0.589 123.390 122.820 -0.031 0.000 1.902 846 A HA -0.130 4.191 4.320 0.002 0.000 0.217 846 A C 2.333 179.916 177.584 -0.002 0.000 1.181 846 A CA 1.734 53.766 52.037 -0.007 0.000 0.623 846 A CB -0.792 18.212 19.000 0.007 0.000 0.818 846 A HN 0.540 nan 8.150 nan 0.000 0.443 847 A N -0.246 122.565 122.820 -0.014 0.000 1.877 847 A HA -0.051 4.270 4.320 0.002 0.000 0.216 847 A C 2.181 179.767 177.584 0.003 0.000 1.186 847 A CA 1.536 53.577 52.037 0.008 0.000 0.620 847 A CB -0.654 18.352 19.000 0.010 0.000 0.822 847 A HN 0.469 nan 8.150 nan 0.000 0.443 848 L N -0.786 120.427 121.223 -0.016 0.000 2.046 848 L HA -0.225 4.116 4.340 0.002 0.000 0.208 848 L C 2.598 179.468 176.870 -0.001 0.000 1.077 848 L CA 1.776 56.610 54.840 -0.009 0.000 0.747 848 L CB -0.588 41.459 42.059 -0.020 0.000 0.896 848 L HN 0.459 nan 8.230 nan 0.000 0.432 849 E N -0.519 119.681 120.200 -0.000 0.000 2.110 849 E HA -0.291 4.060 4.350 0.002 0.000 0.193 849 E C 2.196 178.806 176.600 0.017 0.000 0.988 849 E CA 1.086 57.492 56.400 0.009 0.000 0.804 849 E CB -0.054 29.652 29.700 0.009 0.000 0.745 849 E HN 0.449 nan 8.360 nan 0.000 0.458 850 Q N 0.541 120.351 119.800 0.017 0.000 2.050 850 Q HA -0.175 4.166 4.340 0.002 0.000 0.202 850 Q C 2.241 178.254 176.000 0.023 0.000 0.980 850 Q CA 1.087 56.903 55.803 0.021 0.000 0.840 850 Q CB 0.008 28.759 28.738 0.023 0.000 0.898 850 Q HN 0.302 nan 8.270 nan 0.000 0.424 851 L N 0.533 121.768 121.223 0.022 0.000 2.083 851 L HA -0.199 4.142 4.340 0.002 0.000 0.209 851 L C 2.624 179.515 176.870 0.035 0.000 1.083 851 L CA 1.270 56.124 54.840 0.024 0.000 0.752 851 L CB -0.457 41.614 42.059 0.019 0.000 0.899 851 L HN 0.206 nan 8.230 nan 0.000 0.433 852 K N 0.359 120.779 120.400 0.034 0.000 2.152 852 K HA -0.157 4.164 4.320 0.002 0.000 0.206 852 K C 1.780 178.419 176.600 0.064 0.000 1.048 852 K CA 1.358 57.676 56.287 0.053 0.000 0.933 852 K CB -0.184 32.337 32.500 0.036 0.000 0.721 852 K HN 0.383 nan 8.250 nan 0.000 0.447 853 G N 0.701 109.528 108.800 0.046 0.000 2.985 853 G HA2 0.073 4.034 3.960 0.002 0.000 0.209 853 G HA3 0.073 4.034 3.960 0.002 0.000 0.209 853 G C 0.341 175.264 174.900 0.039 0.000 1.165 853 G CA -0.370 44.756 45.100 0.043 0.000 0.776 853 G HN 0.093 nan 8.290 nan 0.000 0.541 854 L N 1.141 122.387 121.223 0.039 0.000 2.559 854 L HA 0.041 4.382 4.340 0.002 0.000 0.282 854 L C 0.946 177.835 176.870 0.032 0.000 1.232 854 L CA -0.046 54.813 54.840 0.031 0.000 0.885 854 L CB 0.568 42.645 42.059 0.029 0.000 1.131 854 L HN 0.221 nan 8.230 nan 0.000 0.498 855 E N 3.503 123.718 120.200 0.024 0.000 2.384 855 E HA -0.047 4.304 4.350 0.002 0.000 0.266 855 E C -0.004 176.607 176.600 0.018 0.000 1.012 855 E CA -0.081 56.331 56.400 0.020 0.000 0.901 855 E CB 0.212 29.922 29.700 0.016 0.000 0.967 855 E HN 0.636 nan 8.360 nan 0.000 0.435 856 N N 1.859 120.568 118.700 0.016 0.000 2.714 856 N HA -0.248 4.493 4.740 0.002 0.000 0.253 856 N C -0.722 174.799 175.510 0.018 0.000 1.024 856 N CA -0.016 53.041 53.050 0.012 0.000 0.726 856 N CB -0.965 37.527 38.487 0.009 0.000 0.908 856 N HN 0.321 nan 8.380 nan 0.000 0.542 857 L N 1.210 122.451 121.223 0.030 0.000 2.534 857 L HA 0.134 4.475 4.340 0.002 0.000 0.271 857 L C 0.681 177.577 176.870 0.044 0.000 1.178 857 L CA 0.043 54.913 54.840 0.050 0.000 0.907 857 L CB 0.408 42.522 42.059 0.093 0.000 1.164 857 L HN 0.338 nan 8.230 nan 0.000 0.482 858 S N 2.911 118.636 115.700 0.042 0.000 2.568 858 S HA 0.245 4.716 4.470 0.002 0.000 0.282 858 S C 1.420 176.063 174.600 0.073 0.000 1.338 858 S CA -0.250 57.972 58.200 0.037 0.000 1.045 858 S CB 1.000 64.212 63.200 0.020 0.000 0.873 858 S HN 0.900 nan 8.310 nan 0.000 0.516 859 G N 1.646 110.478 108.800 0.053 0.000 2.442 859 G HA2 -0.232 3.729 3.960 0.002 0.000 0.219 859 G HA3 -0.232 3.729 3.960 0.002 0.000 0.219 859 G C 0.735 175.717 174.900 0.136 0.000 1.141 859 G CA 1.099 46.255 45.100 0.093 0.000 0.763 859 G HN 0.807 nan 8.290 nan 0.000 0.554 860 D N 0.500 120.945 120.400 0.074 0.000 2.106 860 D HA -0.124 4.517 4.640 0.002 0.000 0.191 860 D C 2.501 178.832 176.300 0.051 0.000 0.997 860 D CA 0.830 54.857 54.000 0.045 0.000 0.834 860 D CB -0.291 40.510 40.800 0.001 0.000 0.956 860 D HN 0.328 nan 8.370 nan 0.000 0.448 861 L N -0.785 120.474 121.223 0.060 0.000 2.072 861 L HA -0.105 4.236 4.340 0.002 0.000 0.205 861 L C 2.310 179.228 176.870 0.080 0.000 1.079 861 L CA 0.718 55.588 54.840 0.050 0.000 0.752 861 L CB -0.498 41.586 42.059 0.041 0.000 0.906 861 L HN 0.111 nan 8.230 nan 0.000 0.436 862 Y N 1.440 121.748 120.300 0.013 0.000 2.114 862 Y HA -0.376 4.175 4.550 0.002 0.000 0.282 862 Y C 2.643 178.562 175.900 0.032 0.000 1.165 862 Y CA 2.295 60.409 58.100 0.024 0.000 1.148 862 Y CB -0.163 38.314 38.460 0.028 0.000 0.972 862 Y HN 0.235 nan 8.280 nan 0.000 0.504 863 E N 0.046 120.317 120.200 0.118 0.000 2.058 863 E HA -0.239 4.112 4.350 0.002 0.000 0.194 863 E C 2.097 178.662 176.600 -0.059 0.000 0.997 863 E CA 1.759 58.182 56.400 0.039 0.000 0.801 863 E CB -0.104 29.680 29.700 0.140 0.000 0.746 863 E HN 0.520 nan 8.360 nan 0.000 0.450 864 K N 0.061 120.435 120.400 -0.043 0.000 2.031 864 K HA -0.061 4.260 4.320 0.002 0.000 0.205 864 K C 2.290 178.852 176.600 -0.064 0.000 1.049 864 K CA 1.240 57.497 56.287 -0.049 0.000 0.939 864 K CB -0.111 32.364 32.500 -0.042 0.000 0.717 864 K HN 0.217 nan 8.250 nan 0.000 0.438 865 I N 1.538 122.058 120.570 -0.083 0.000 2.163 865 I HA -0.306 3.865 4.170 0.002 0.000 0.243 865 I C 2.685 178.724 176.117 -0.131 0.000 1.085 865 I CA 1.790 63.038 61.300 -0.086 0.000 1.347 865 I CB -0.779 37.181 38.000 -0.067 0.000 1.044 865 I HN 0.343 nan 8.210 nan 0.000 0.408 866 T N -1.227 113.174 114.554 -0.255 0.000 2.777 866 T HA -0.159 4.192 4.350 0.002 0.000 0.266 866 T C 1.845 176.473 174.700 -0.120 0.000 1.040 866 T CA 0.970 62.916 62.100 -0.255 0.000 1.141 866 T CB -0.341 68.232 68.868 -0.492 0.000 0.868 866 T HN 0.283 nan 8.240 nan 0.000 0.444 867 K N 1.516 121.864 120.400 -0.087 0.000 2.057 867 K HA 0.104 4.425 4.320 0.002 0.000 0.207 867 K C 2.810 179.407 176.600 -0.005 0.000 1.049 867 K CA 1.257 57.533 56.287 -0.017 0.000 0.931 867 K CB -0.491 32.018 32.500 0.014 0.000 0.714 867 K HN 0.459 nan 8.250 nan 0.000 0.440 868 A N 1.124 123.935 122.820 -0.015 0.000 1.930 868 A HA -0.094 4.227 4.320 0.002 0.000 0.217 868 A C 1.979 179.562 177.584 -0.001 0.000 1.175 868 A CA 1.199 53.237 52.037 0.001 0.000 0.627 868 A CB -0.409 18.590 19.000 -0.001 0.000 0.815 868 A HN 0.174 nan 8.150 nan 0.000 0.443 869 L N -0.897 120.316 121.223 -0.017 0.000 2.509 869 L HA 0.160 4.500 4.340 0.002 0.000 0.222 869 L C 1.713 178.581 176.870 -0.002 0.000 1.123 869 L CA -0.003 54.830 54.840 -0.012 0.000 0.856 869 L CB -0.500 41.545 42.059 -0.023 0.000 0.985 869 L HN 0.425 nan 8.230 nan 0.000 0.456 870 A N 0.000 122.820 122.820 -0.000 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 0.012 0.000 0.836 870 A CB 0.000 19.011 19.000 0.019 0.000 0.831 870 A HN 0.000 nan 8.150 nan 0.000 0.486