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 3ked_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 0.000 177.288 177.300 -0.020 0.000 1.155 5 P CA 0.000 63.012 63.100 -0.147 0.000 0.800 5 P CB 0.000 31.585 31.700 -0.192 0.000 0.726 6 Q N 0.868 120.687 119.800 0.031 0.000 2.282 6 Q HA 0.804 5.145 4.340 0.002 0.000 0.260 6 Q C -0.423 175.620 176.000 0.073 0.000 0.964 6 Q CA -0.280 55.567 55.803 0.074 0.000 0.880 6 Q CB 1.895 30.679 28.738 0.077 0.000 1.286 6 Q HN 0.700 nan 8.270 nan 0.000 0.445 7 A N 3.385 126.250 122.820 0.075 0.000 2.407 7 A HA 0.456 4.777 4.320 0.002 0.000 0.248 7 A C -0.478 177.023 177.584 -0.138 0.000 1.082 7 A CA -0.110 51.892 52.037 -0.059 0.000 0.785 7 A CB 0.419 19.343 19.000 -0.125 0.000 1.020 7 A HN 0.642 nan 8.150 nan 0.000 0.489 8 K N 0.168 120.439 120.400 -0.215 0.000 2.281 8 K HA 0.554 4.875 4.320 0.002 0.000 0.242 8 K C -1.844 174.592 176.600 -0.273 0.000 0.971 8 K CA -0.352 55.888 56.287 -0.078 0.000 0.834 8 K CB 1.876 34.464 32.500 0.146 0.000 1.181 8 K HN 0.676 nan 8.250 nan 0.000 0.435 9 Y N 0.448 120.759 120.300 0.018 0.000 2.361 9 Y HA 0.261 4.811 4.550 0.001 0.000 0.337 9 Y C 1.228 176.635 175.900 -0.822 0.000 0.965 9 Y CA -0.736 57.113 58.100 -0.418 0.000 1.091 9 Y CB 1.883 39.959 38.460 -0.640 0.000 1.182 9 Y HN 0.608 nan 8.280 nan 0.000 0.450 10 R N 1.671 121.335 120.500 -1.394 0.000 2.103 10 R HA -0.205 4.136 4.340 0.002 0.000 0.242 10 R C 1.796 177.836 176.300 -0.434 0.000 1.142 10 R CA 2.313 57.589 56.100 -1.373 0.000 0.960 10 R CB -0.272 29.350 30.300 -1.131 0.000 0.858 10 R HN 0.943 nan 8.270 nan 0.000 0.439 11 H N -1.642 117.341 119.070 -0.146 0.000 2.521 11 H HA -0.035 4.522 4.556 0.001 0.000 0.286 11 H C 0.393 175.737 175.328 0.027 0.000 1.034 11 H CA 0.779 56.809 56.048 -0.030 0.000 1.278 11 H CB -0.053 29.695 29.762 -0.024 0.000 1.386 11 H HN 0.263 nan 8.280 nan 0.000 0.567 12 D N 0.631 120.954 120.400 -0.130 0.000 2.349 12 D HA -0.054 4.587 4.640 0.002 0.000 0.224 12 D C 0.203 176.542 176.300 0.065 0.000 1.029 12 D CA -0.085 53.930 54.000 0.024 0.000 0.879 12 D CB -0.604 40.210 40.800 0.024 0.000 0.906 12 D HN 0.379 nan 8.370 nan 0.000 0.528 13 Y N 1.893 122.197 120.300 0.007 0.000 2.810 13 Y HA 0.054 4.605 4.550 0.002 0.000 0.332 13 Y C 0.040 175.973 175.900 0.054 0.000 1.243 13 Y CA 0.189 58.321 58.100 0.053 0.000 1.537 13 Y CB 0.207 38.696 38.460 0.048 0.000 1.265 13 Y HN -0.307 nan 8.280 nan 0.000 0.572 14 R N 3.923 123.876 120.500 -0.913 0.000 2.686 14 R HA 0.667 5.008 4.340 0.002 0.000 0.283 14 R C -0.855 174.912 176.300 -0.888 0.000 0.978 14 R CA -0.455 55.241 56.100 -0.674 0.000 0.897 14 R CB 1.528 31.670 30.300 -0.263 0.000 1.192 14 R HN 0.836 nan 8.270 nan 0.000 0.457 15 A N 4.230 126.778 122.820 -0.453 0.000 2.555 15 A HA 0.281 4.601 4.320 0.002 0.000 0.233 15 A C -1.813 175.699 177.584 -0.121 0.000 1.060 15 A CA -0.523 51.406 52.037 -0.179 0.000 0.759 15 A CB -0.619 18.361 19.000 -0.034 0.000 0.995 15 A HN 0.523 nan 8.150 nan 0.000 0.506 16 P HA 0.132 nan 4.420 nan 0.000 0.275 16 P C -0.280 177.063 177.300 0.072 0.000 1.228 16 P CA -0.295 62.830 63.100 0.041 0.000 0.786 16 P CB 0.704 32.460 31.700 0.092 0.000 0.927 17 D N 0.239 120.698 120.400 0.097 0.000 2.263 17 D HA -0.085 4.555 4.640 0.002 0.000 0.208 17 D C 0.050 176.250 176.300 -0.166 0.000 0.971 17 D CA 1.784 55.798 54.000 0.022 0.000 0.867 17 D CB -0.079 40.793 40.800 0.119 0.000 0.929 17 D HN 0.434 nan 8.370 nan 0.000 0.492 18 Y N -0.395 119.943 120.300 0.063 0.000 2.524 18 Y HA 0.353 4.904 4.550 0.002 0.000 0.347 18 Y C 0.313 176.236 175.900 0.037 0.000 1.005 18 Y CA -0.975 57.140 58.100 0.024 0.000 1.025 18 Y CB 1.600 40.064 38.460 0.007 0.000 1.275 18 Y HN -0.374 nan 8.280 nan 0.000 0.460 19 Q N 2.183 122.072 119.800 0.149 0.000 2.351 19 Q HA 0.606 4.947 4.340 0.002 0.000 0.273 19 Q C -1.124 174.865 176.000 -0.018 0.000 1.077 19 Q CA -0.809 55.056 55.803 0.102 0.000 0.843 19 Q CB 3.239 32.095 28.738 0.197 0.000 1.367 19 Q HN 0.708 nan 8.270 nan 0.000 0.449 20 I N 0.761 121.303 120.570 -0.047 0.000 2.433 20 I HA 0.227 4.398 4.170 0.002 0.000 0.292 20 I C 1.077 177.172 176.117 -0.037 0.000 1.001 20 I CA -0.163 61.081 61.300 -0.094 0.000 1.119 20 I CB 2.134 40.045 38.000 -0.148 0.000 1.289 20 I HN 0.734 nan 8.210 nan 0.000 0.438 21 T N -0.394 114.126 114.554 -0.057 0.000 3.000 21 T HA 0.291 4.642 4.350 0.002 0.000 0.248 21 T C 0.074 174.752 174.700 -0.037 0.000 1.034 21 T CA 0.130 62.213 62.100 -0.027 0.000 1.060 21 T CB 0.106 68.952 68.868 -0.037 0.000 0.983 21 T HN 0.522 nan 8.240 nan 0.000 0.482 22 D N -0.096 120.259 120.400 -0.074 0.000 2.837 22 D HA 0.642 5.283 4.640 0.002 0.000 0.220 22 D C -1.781 174.429 176.300 -0.150 0.000 1.236 22 D CA -0.485 53.456 54.000 -0.097 0.000 0.838 22 D CB 2.653 43.411 40.800 -0.070 0.000 1.647 22 D HN 0.343 nan 8.370 nan 0.000 0.486 23 I N 0.830 121.246 120.570 -0.256 0.000 2.607 23 I HA 0.374 4.545 4.170 0.002 0.000 0.290 23 I C -1.698 174.294 176.117 -0.208 0.000 1.129 23 I CA -0.625 60.511 61.300 -0.273 0.000 1.042 23 I CB 1.602 39.329 38.000 -0.455 0.000 1.242 23 I HN 0.210 nan 8.210 nan 0.000 0.421 24 D N 8.836 129.172 120.400 -0.107 0.000 2.381 24 D HA 0.447 5.088 4.640 0.002 0.000 0.235 24 D C -0.682 175.596 176.300 -0.037 0.000 1.068 24 D CA 0.012 53.990 54.000 -0.037 0.000 0.832 24 D CB 2.318 43.100 40.800 -0.029 0.000 1.101 24 D HN 0.389 nan 8.370 nan 0.000 0.515 25 L N 1.539 122.782 121.223 0.034 0.000 2.317 25 L HA 0.449 4.789 4.340 0.002 0.000 0.281 25 L C 0.107 177.012 176.870 0.058 0.000 1.024 25 L CA -0.396 54.448 54.840 0.006 0.000 0.810 25 L CB 1.849 44.002 42.059 0.156 0.000 1.240 25 L HN 0.165 nan 8.230 nan 0.000 0.427 26 T N 2.474 116.968 114.554 -0.100 0.000 2.841 26 T HA 0.543 4.894 4.350 0.002 0.000 0.285 26 T C -0.801 173.805 174.700 -0.157 0.000 0.991 26 T CA -0.354 61.734 62.100 -0.021 0.000 0.966 26 T CB 0.775 69.598 68.868 -0.075 0.000 0.962 26 T HN 0.058 nan 8.240 nan 0.000 0.438 27 F N 2.199 122.167 119.950 0.030 0.000 2.411 27 F HA 0.347 4.875 4.527 0.001 0.000 0.352 27 F C 0.572 176.376 175.800 0.007 0.000 1.123 27 F CA -1.264 56.746 58.000 0.016 0.000 1.044 27 F CB 1.145 40.167 39.000 0.037 0.000 1.135 27 F HN 0.408 nan 8.300 nan 0.000 0.461 28 D N 5.196 125.666 120.400 0.116 0.000 2.456 28 D HA 0.241 4.882 4.640 0.002 0.000 0.219 28 D C -0.546 175.812 176.300 0.095 0.000 1.126 28 D CA -0.039 54.013 54.000 0.087 0.000 0.890 28 D CB 0.495 41.315 40.800 0.033 0.000 1.025 28 D HN 0.442 nan 8.370 nan 0.000 0.511 29 L N 3.375 124.653 121.223 0.092 0.000 2.326 29 L HA 0.379 4.719 4.340 0.002 0.000 0.278 29 L C 0.330 177.220 176.870 0.033 0.000 1.092 29 L CA -0.094 54.764 54.840 0.030 0.000 0.810 29 L CB 1.166 43.158 42.059 -0.112 0.000 1.153 29 L HN 0.377 nan 8.230 nan 0.000 0.439 30 D N 2.021 122.441 120.400 0.034 0.000 2.769 30 D HA 0.180 4.821 4.640 0.002 0.000 0.219 30 D C 0.163 176.505 176.300 0.070 0.000 1.245 30 D CA -0.309 53.743 54.000 0.087 0.000 0.801 30 D CB 2.075 42.929 40.800 0.091 0.000 1.598 30 D HN 0.500 nan 8.370 nan 0.000 0.485 31 A N 2.619 125.506 122.820 0.111 0.000 1.940 31 A HA -0.208 4.113 4.320 0.002 0.000 0.219 31 A C 1.738 179.358 177.584 0.060 0.000 1.176 31 A CA 1.514 53.602 52.037 0.086 0.000 0.631 31 A CB -0.160 18.909 19.000 0.114 0.000 0.814 31 A HN 0.559 nan 8.150 nan 0.000 0.446 32 Q N -0.994 118.841 119.800 0.058 0.000 2.123 32 Q HA 0.121 4.462 4.340 0.002 0.000 0.196 32 Q C 0.758 176.781 176.000 0.038 0.000 0.958 32 Q CA 1.149 56.978 55.803 0.043 0.000 0.841 32 Q CB 0.066 28.828 28.738 0.039 0.000 0.915 32 Q HN 0.670 nan 8.270 nan 0.000 0.455 33 K N 0.420 120.845 120.400 0.042 0.000 2.652 33 K HA 0.307 4.627 4.320 0.002 0.000 0.249 33 K C -1.400 175.223 176.600 0.038 0.000 0.986 33 K CA 0.040 56.347 56.287 0.034 0.000 0.867 33 K CB 1.446 33.964 32.500 0.029 0.000 1.201 33 K HN -0.169 nan 8.250 nan 0.000 0.450 34 T N 2.689 117.266 114.554 0.038 0.000 2.824 34 T HA 0.363 4.714 4.350 0.002 0.000 0.280 34 T C -0.772 173.940 174.700 0.020 0.000 0.995 34 T CA -0.471 61.659 62.100 0.050 0.000 1.009 34 T CB 1.323 70.245 68.868 0.089 0.000 0.955 34 T HN 0.241 nan 8.240 nan 0.000 0.452 35 V N 4.288 124.205 119.914 0.005 0.000 2.398 35 V HA 0.482 4.603 4.120 0.002 0.000 0.286 35 V C -0.192 175.831 176.094 -0.118 0.000 1.026 35 V CA -0.686 61.587 62.300 -0.045 0.000 0.868 35 V CB 1.658 33.461 31.823 -0.033 0.000 0.982 35 V HN 0.666 nan 8.190 nan 0.000 0.443 36 V N 3.747 123.541 119.914 -0.200 0.000 2.448 36 V HA 0.482 4.603 4.120 0.002 0.000 0.295 36 V C 0.158 176.077 176.094 -0.292 0.000 1.025 36 V CA -0.343 61.724 62.300 -0.388 0.000 0.859 36 V CB 1.884 33.407 31.823 -0.500 0.000 0.988 36 V HN 0.923 nan 8.190 nan 0.000 0.431 37 T N 4.196 118.573 114.554 -0.295 0.000 2.779 37 T HA 0.726 5.077 4.350 0.002 0.000 0.280 37 T C -0.063 174.509 174.700 -0.214 0.000 0.987 37 T CA -0.314 61.663 62.100 -0.205 0.000 0.966 37 T CB 1.529 70.302 68.868 -0.159 0.000 0.933 37 T HN 0.925 nan 8.240 nan 0.000 0.442 38 A N 3.131 125.856 122.820 -0.157 0.000 2.332 38 A HA 0.693 5.014 4.320 0.002 0.000 0.300 38 A C -0.643 176.897 177.584 -0.073 0.000 1.153 38 A CA -0.630 51.336 52.037 -0.119 0.000 0.764 38 A CB 0.877 19.822 19.000 -0.093 0.000 1.174 38 A HN 0.668 nan 8.150 nan 0.000 0.467 39 V N 2.581 122.451 119.914 -0.073 0.000 2.357 39 V HA 0.516 4.637 4.120 0.002 0.000 0.284 39 V C 0.102 176.161 176.094 -0.059 0.000 1.018 39 V CA -0.222 62.041 62.300 -0.063 0.000 0.841 39 V CB 1.298 33.079 31.823 -0.070 0.000 0.991 39 V HN 0.847 nan 8.190 nan 0.000 0.437 40 S N 4.271 119.943 115.700 -0.048 0.000 2.482 40 S HA 0.534 5.005 4.470 0.002 0.000 0.303 40 S C -0.739 173.793 174.600 -0.114 0.000 1.091 40 S CA -0.790 57.373 58.200 -0.061 0.000 1.057 40 S CB 1.719 64.910 63.200 -0.014 0.000 1.031 40 S HN 0.663 nan 8.310 nan 0.000 0.485 41 Q N 1.793 121.510 119.800 -0.139 0.000 2.274 41 Q HA 0.694 5.035 4.340 0.002 0.000 0.256 41 Q C -0.403 175.428 176.000 -0.282 0.000 0.927 41 Q CA -0.306 55.381 55.803 -0.193 0.000 0.939 41 Q CB 1.524 30.180 28.738 -0.137 0.000 1.201 41 Q HN 0.742 nan 8.270 nan 0.000 0.426 42 A N 1.874 124.385 122.820 -0.515 0.000 2.423 42 A HA 0.867 5.188 4.320 0.002 0.000 0.304 42 A C -1.008 176.190 177.584 -0.642 0.000 1.104 42 A CA -0.636 51.032 52.037 -0.615 0.000 0.757 42 A CB 1.710 20.211 19.000 -0.831 0.000 1.313 42 A HN 0.397 nan 8.150 nan 0.000 0.423 43 V N 1.060 120.739 119.914 -0.392 0.000 2.668 43 V HA 0.456 4.577 4.120 0.002 0.000 0.304 43 V C -0.070 175.819 176.094 -0.342 0.000 1.071 43 V CA -0.622 61.467 62.300 -0.352 0.000 0.894 43 V CB 1.720 33.328 31.823 -0.358 0.000 1.008 43 V HN 0.974 nan 8.190 nan 0.000 0.425 44 R N 2.910 123.231 120.500 -0.299 0.000 2.267 44 R HA 0.341 4.682 4.340 0.002 0.000 0.319 44 R C 0.311 176.290 176.300 -0.535 0.000 1.067 44 R CA -0.260 55.511 56.100 -0.549 0.000 0.936 44 R CB 0.415 30.475 30.300 -0.401 0.000 1.006 44 R HN 0.825 nan 8.270 nan 0.000 0.452 45 H N 2.255 121.152 119.070 -0.288 0.000 2.639 45 H HA 0.155 4.712 4.556 0.002 0.000 0.267 45 H C 0.893 176.130 175.328 -0.151 0.000 0.958 45 H CA 0.746 56.699 56.048 -0.159 0.000 1.221 45 H CB 1.010 30.712 29.762 -0.100 0.000 1.446 45 H HN 0.735 nan 8.280 nan 0.000 0.512 46 G N 0.181 108.900 108.800 -0.134 0.000 2.702 46 G HA2 0.479 4.440 3.960 0.002 0.000 0.254 46 G HA3 0.479 4.440 3.960 0.002 0.000 0.254 46 G C -0.399 174.449 174.900 -0.087 0.000 1.380 46 G CA -0.045 45.006 45.100 -0.083 0.000 1.042 46 G HN 0.318 nan 8.290 nan 0.000 0.557 47 A N -0.614 122.182 122.820 -0.041 0.000 2.531 47 A HA 0.395 4.716 4.320 0.002 0.000 0.236 47 A C 1.699 179.277 177.584 -0.011 0.000 1.062 47 A CA 0.623 52.650 52.037 -0.017 0.000 0.760 47 A CB 0.088 19.091 19.000 0.005 0.000 0.995 47 A HN 0.799 nan 8.150 nan 0.000 0.501 48 S N 0.967 116.668 115.700 0.002 0.000 2.440 48 S HA -0.159 4.312 4.470 0.002 0.000 0.240 48 S C 1.135 175.765 174.600 0.051 0.000 1.014 48 S CA 1.581 59.796 58.200 0.024 0.000 0.980 48 S CB -0.264 62.951 63.200 0.025 0.000 0.775 48 S HN 0.918 nan 8.310 nan 0.000 0.499 49 D N 0.635 121.063 120.400 0.047 0.000 2.402 49 D HA 0.303 4.944 4.640 0.002 0.000 0.216 49 D C 0.152 176.499 176.300 0.079 0.000 1.128 49 D CA -0.164 53.872 54.000 0.060 0.000 0.833 49 D CB 0.038 40.862 40.800 0.041 0.000 0.971 49 D HN 0.259 nan 8.370 nan 0.000 0.503 50 A N 1.965 124.844 122.820 0.099 0.000 2.289 50 A HA 0.566 4.887 4.320 0.002 0.000 0.298 50 A C -2.426 175.299 177.584 0.236 0.000 1.208 50 A CA -1.119 51.001 52.037 0.138 0.000 0.845 50 A CB 0.673 19.746 19.000 0.122 0.000 1.125 50 A HN 0.060 nan 8.150 nan 0.000 0.517 51 P HA 0.272 nan 4.420 nan 0.000 0.278 51 P C -0.446 176.904 177.300 0.084 0.000 1.266 51 P CA -0.651 62.533 63.100 0.139 0.000 0.807 51 P CB 0.689 32.435 31.700 0.077 0.000 1.094 52 L N 1.644 122.719 121.223 -0.246 0.000 2.361 52 L HA 0.247 4.588 4.340 0.002 0.000 0.278 52 L C 0.732 177.479 176.870 -0.206 0.000 1.113 52 L CA -0.382 54.120 54.840 -0.564 0.000 0.849 52 L CB 0.010 41.634 42.059 -0.726 0.000 1.155 52 L HN 0.412 nan 8.230 nan 0.000 0.452 53 R N 6.418 126.858 120.500 -0.100 0.000 2.247 53 R HA 0.451 4.792 4.340 0.002 0.000 0.329 53 R C -1.471 174.830 176.300 0.002 0.000 1.014 53 R CA -0.628 55.462 56.100 -0.016 0.000 0.907 53 R CB 0.549 30.872 30.300 0.038 0.000 1.146 53 R HN 0.631 nan 8.270 nan 0.000 0.499 54 L N 3.928 125.156 121.223 0.009 0.000 2.312 54 L HA 0.310 4.651 4.340 0.002 0.000 0.281 54 L C 0.225 177.206 176.870 0.186 0.000 1.070 54 L CA -0.890 53.999 54.840 0.083 0.000 0.805 54 L CB 1.176 43.291 42.059 0.093 0.000 1.174 54 L HN 0.614 nan 8.230 nan 0.000 0.434 55 N N 2.246 121.056 118.700 0.182 0.000 2.518 55 N HA 0.420 5.161 4.740 0.002 0.000 0.266 55 N C -0.041 175.542 175.510 0.121 0.000 1.196 55 N CA 0.044 53.192 53.050 0.163 0.000 0.947 55 N CB 1.577 40.156 38.487 0.153 0.000 1.098 55 N HN 0.793 nan 8.380 nan 0.000 0.450 56 G N 0.497 109.295 108.800 -0.004 0.000 2.768 56 G HA2 0.326 4.287 3.960 0.002 0.000 0.297 56 G HA3 0.326 4.287 3.960 0.002 0.000 0.297 56 G C -1.469 173.240 174.900 -0.319 0.000 1.430 56 G CA -0.498 44.371 45.100 -0.385 0.000 1.030 56 G HN 0.315 nan 8.290 nan 0.000 0.553 57 E N 1.665 121.584 120.200 -0.469 0.000 2.256 57 E HA 0.342 4.692 4.350 0.002 0.000 0.268 57 E C -0.933 175.455 176.600 -0.353 0.000 0.877 57 E CA -0.616 55.524 56.400 -0.434 0.000 0.757 57 E CB 2.129 31.348 29.700 -0.801 0.000 1.183 57 E HN 0.569 nan 8.360 nan 0.000 0.418 58 D N 1.681 121.977 120.400 -0.173 0.000 2.689 58 D HA -0.200 4.441 4.640 0.002 0.000 0.237 58 D C -0.500 175.734 176.300 -0.110 0.000 1.148 58 D CA 0.960 54.909 54.000 -0.085 0.000 0.656 58 D CB -1.071 39.721 40.800 -0.013 0.000 1.050 58 D HN 0.314 nan 8.370 nan 0.000 0.426 59 L N -0.393 120.736 121.223 -0.157 0.000 2.334 59 L HA 0.408 4.749 4.340 0.002 0.000 0.273 59 L C 0.809 177.653 176.870 -0.044 0.000 1.013 59 L CA -0.881 53.856 54.840 -0.170 0.000 0.816 59 L CB 1.998 43.806 42.059 -0.418 0.000 1.278 59 L HN -0.169 nan 8.230 nan 0.000 0.431 60 K N 3.564 123.952 120.400 -0.019 0.000 2.299 60 K HA 0.366 4.687 4.320 0.002 0.000 0.268 60 K C -0.651 175.973 176.600 0.040 0.000 1.075 60 K CA -0.530 55.772 56.287 0.023 0.000 0.936 60 K CB 0.767 33.276 32.500 0.014 0.000 1.228 60 K HN 0.558 nan 8.250 nan 0.000 0.454 61 L N 5.117 126.389 121.223 0.082 0.000 2.499 61 L HA -0.030 4.311 4.340 0.002 0.000 0.273 61 L C 0.572 177.436 176.870 -0.010 0.000 1.195 61 L CA 0.047 54.908 54.840 0.035 0.000 0.882 61 L CB 1.041 43.057 42.059 -0.072 0.000 1.133 61 L HN 0.644 nan 8.230 nan 0.000 0.483 62 V N 2.170 122.067 119.914 -0.028 0.000 3.151 62 V HA 0.121 4.241 4.120 0.002 0.000 0.241 62 V C 0.354 176.440 176.094 -0.013 0.000 1.173 62 V CA 0.917 63.211 62.300 -0.009 0.000 1.154 62 V CB 0.853 32.673 31.823 -0.006 0.000 0.898 62 V HN 0.914 nan 8.190 nan 0.000 0.473 63 S N -1.211 114.460 115.700 -0.048 0.000 2.578 63 S HA 0.674 5.145 4.470 0.002 0.000 0.272 63 S C -1.460 173.090 174.600 -0.083 0.000 1.145 63 S CA -0.642 57.541 58.200 -0.028 0.000 0.835 63 S CB 2.173 65.445 63.200 0.120 0.000 1.104 63 S HN -0.024 nan 8.310 nan 0.000 0.458 64 V N 2.156 121.996 119.914 -0.122 0.000 2.577 64 V HA 0.638 4.759 4.120 0.002 0.000 0.303 64 V C -1.399 174.659 176.094 -0.060 0.000 1.042 64 V CA -0.458 61.755 62.300 -0.144 0.000 0.872 64 V CB 1.426 33.002 31.823 -0.412 0.000 0.998 64 V HN 1.031 nan 8.190 nan 0.000 0.423 65 H N 4.107 123.152 119.070 -0.042 0.000 2.637 65 H HA 0.690 5.247 4.556 0.001 0.000 0.363 65 H C -0.905 174.372 175.328 -0.084 0.000 1.131 65 H CA -0.720 55.337 56.048 0.014 0.000 1.183 65 H CB 2.077 31.843 29.762 0.007 0.000 1.637 65 H HN 0.421 nan 8.280 nan 0.000 0.531 66 I N 2.663 123.231 120.570 -0.004 0.000 2.410 66 I HA 0.135 4.306 4.170 0.002 0.000 0.286 66 I C -0.043 176.062 176.117 -0.020 0.000 1.009 66 I CA -0.634 60.533 61.300 -0.221 0.000 1.111 66 I CB 1.174 38.612 38.000 -0.937 0.000 1.262 66 I HN 0.737 nan 8.210 nan 0.000 0.443 67 N N 5.063 123.784 118.700 0.034 0.000 2.721 67 N HA -0.225 4.515 4.740 0.002 0.000 0.249 67 N C 0.214 175.779 175.510 0.092 0.000 1.072 67 N CA 1.225 54.314 53.050 0.064 0.000 0.710 67 N CB -0.684 37.843 38.487 0.067 0.000 0.993 67 N HN 0.691 nan 8.380 nan 0.000 0.547 68 D N -2.277 118.195 120.400 0.121 0.000 2.911 68 D HA -0.214 4.427 4.640 0.002 0.000 0.199 68 D C 0.085 176.562 176.300 0.296 0.000 1.041 68 D CA 1.787 55.888 54.000 0.168 0.000 1.013 68 D CB -0.792 40.060 40.800 0.086 0.000 1.093 68 D HN 0.770 nan 8.370 nan 0.000 0.431 69 E N 1.134 121.483 120.200 0.248 0.000 2.167 69 E HA 0.440 4.791 4.350 0.002 0.000 0.284 69 E C -2.693 173.988 176.600 0.134 0.000 1.016 69 E CA -1.996 54.535 56.400 0.219 0.000 0.817 69 E CB 1.155 30.998 29.700 0.239 0.000 1.080 69 E HN -0.130 nan 8.360 nan 0.000 0.397 70 P HA -0.050 nan 4.420 nan 0.000 0.262 70 P C -1.135 176.189 177.300 0.040 0.000 1.182 70 P CA 0.219 63.124 63.100 -0.325 0.000 0.761 70 P CB 0.259 31.840 31.700 -0.199 0.000 0.795 71 W N 3.908 125.134 121.300 -0.124 0.000 2.478 71 W HA 0.214 4.875 4.660 0.002 0.000 0.318 71 W C 0.390 177.026 176.519 0.196 0.000 1.062 71 W CA -0.472 56.887 57.345 0.024 0.000 1.210 71 W CB 1.877 31.349 29.460 0.020 0.000 1.325 71 W HN 0.368 nan 8.180 nan 0.000 0.496 72 T N 0.998 115.324 114.554 -0.380 0.000 3.001 72 T HA 0.225 4.576 4.350 0.002 0.000 0.251 72 T C 0.664 175.083 174.700 -0.468 0.000 1.040 72 T CA 0.119 62.024 62.100 -0.325 0.000 0.985 72 T CB 0.431 69.095 68.868 -0.341 0.000 1.011 72 T HN 0.383 nan 8.240 nan 0.000 0.509 73 A N 2.684 125.150 122.820 -0.591 0.000 3.157 73 A HA 0.587 4.908 4.320 0.002 0.000 0.276 73 A C -0.138 177.541 177.584 0.158 0.000 1.524 73 A CA -1.112 50.748 52.037 -0.295 0.000 1.236 73 A CB -0.788 18.021 19.000 -0.318 0.000 1.173 73 A HN 0.694 nan 8.150 nan 0.000 0.595 74 W N 0.479 121.783 121.300 0.008 0.000 3.074 74 W HA 0.701 5.362 4.660 0.002 0.000 0.332 74 W C -1.352 175.153 176.519 -0.023 0.000 1.253 74 W CA -1.031 56.337 57.345 0.038 0.000 1.180 74 W CB 0.713 30.220 29.460 0.077 0.000 1.445 74 W HN 0.382 nan 8.180 nan 0.000 0.573 75 K N 0.275 120.852 120.400 0.296 0.000 2.532 75 K HA 0.529 4.850 4.320 0.002 0.000 0.265 75 K C -1.165 175.646 176.600 0.351 0.000 0.948 75 K CA -0.863 55.526 56.287 0.170 0.000 0.842 75 K CB 3.074 35.557 32.500 -0.028 0.000 1.392 75 K HN 0.418 nan 8.250 nan 0.000 0.436 76 E N 1.584 121.983 120.200 0.333 0.000 2.227 76 E HA 0.072 4.423 4.350 0.002 0.000 0.282 76 E C -0.695 175.982 176.600 0.129 0.000 1.015 76 E CA -0.493 56.036 56.400 0.214 0.000 0.823 76 E CB 1.382 31.224 29.700 0.237 0.000 1.081 76 E HN 0.619 nan 8.360 nan 0.000 0.396 77 E N 2.261 122.526 120.200 0.108 0.000 2.447 77 E HA 0.243 4.594 4.350 0.002 0.000 0.251 77 E C -0.584 176.067 176.600 0.085 0.000 0.910 77 E CA -0.881 55.569 56.400 0.082 0.000 0.841 77 E CB 0.636 30.377 29.700 0.068 0.000 1.403 77 E HN 0.088 nan 8.360 nan 0.000 0.400 78 E N -0.050 120.189 120.200 0.064 0.000 2.406 78 E HA 0.148 4.499 4.350 0.002 0.000 0.247 78 E C 0.432 177.070 176.600 0.062 0.000 1.160 78 E CA 1.505 57.938 56.400 0.054 0.000 0.950 78 E CB -0.507 29.218 29.700 0.041 0.000 0.993 78 E HN 0.809 nan 8.360 nan 0.000 0.472 79 G N 2.722 111.561 108.800 0.064 0.000 2.160 79 G HA2 -0.077 3.884 3.960 0.002 0.000 0.251 79 G HA3 -0.077 3.884 3.960 0.002 0.000 0.251 79 G C 0.157 175.125 174.900 0.114 0.000 1.008 79 G CA 0.329 45.464 45.100 0.058 0.000 0.724 79 G HN 1.046 nan 8.290 nan 0.000 0.514 80 A N -1.424 121.500 122.820 0.172 0.000 2.604 80 A HA 0.835 5.156 4.320 0.002 0.000 0.295 80 A C -1.372 176.299 177.584 0.145 0.000 1.067 80 A CA -0.350 51.801 52.037 0.190 0.000 0.683 80 A CB 1.681 20.749 19.000 0.115 0.000 1.281 80 A HN 1.596 nan 8.150 nan 0.000 0.407 81 L N 1.756 122.985 121.223 0.011 0.000 2.319 81 L HA 0.732 5.073 4.340 0.002 0.000 0.281 81 L C -1.206 175.623 176.870 -0.068 0.000 1.005 81 L CA -0.503 54.207 54.840 -0.217 0.000 0.828 81 L CB 1.475 43.049 42.059 -0.809 0.000 1.227 81 L HN 0.468 nan 8.230 nan 0.000 0.415 82 V N 6.900 126.834 119.914 0.033 0.000 2.370 82 V HA 0.509 4.630 4.120 0.002 0.000 0.283 82 V C 0.074 176.227 176.094 0.099 0.000 1.023 82 V CA -0.379 61.949 62.300 0.046 0.000 0.857 82 V CB 1.424 33.286 31.823 0.065 0.000 0.985 82 V HN 0.603 nan 8.190 nan 0.000 0.443 83 I N 3.814 124.406 120.570 0.038 0.000 2.389 83 I HA 0.476 4.647 4.170 0.002 0.000 0.288 83 I C 0.205 176.378 176.117 0.093 0.000 0.999 83 I CA 0.025 61.388 61.300 0.104 0.000 1.129 83 I CB 2.017 39.975 38.000 -0.070 0.000 1.288 83 I HN 0.551 nan 8.210 nan 0.000 0.444 84 S N 4.350 120.188 115.700 0.229 0.000 2.722 84 S HA 0.423 4.894 4.470 0.002 0.000 0.292 84 S C 0.165 174.940 174.600 0.292 0.000 1.135 84 S CA -0.605 57.709 58.200 0.188 0.000 1.003 84 S CB 1.010 64.287 63.200 0.128 0.000 1.067 84 S HN 0.756 nan 8.310 nan 0.000 0.546 85 N N 0.189 119.006 118.700 0.196 0.000 2.783 85 N HA -0.132 4.609 4.740 0.002 0.000 0.247 85 N C -1.217 174.432 175.510 0.233 0.000 1.089 85 N CA 0.353 53.526 53.050 0.204 0.000 0.690 85 N CB -1.741 36.856 38.487 0.183 0.000 0.991 85 N HN 0.478 nan 8.380 nan 0.000 0.552 86 L N 0.716 121.974 121.223 0.058 0.000 2.357 86 L HA 0.509 4.850 4.340 0.002 0.000 0.273 86 L C -1.121 175.707 176.870 -0.071 0.000 1.080 86 L CA -1.388 53.324 54.840 -0.212 0.000 0.803 86 L CB 0.681 42.443 42.059 -0.495 0.000 1.174 86 L HN -0.024 nan 8.230 nan 0.000 0.443 87 P HA 0.061 nan 4.420 nan 0.000 0.293 87 P C 0.124 177.549 177.300 0.208 0.000 1.298 87 P CA -0.381 62.766 63.100 0.077 0.000 0.757 87 P CB 0.774 32.532 31.700 0.097 0.000 1.262 88 E N -0.893 119.397 120.200 0.151 0.000 2.158 88 E HA -0.055 4.296 4.350 0.002 0.000 0.191 88 E C 0.251 176.909 176.600 0.097 0.000 0.982 88 E CA 0.684 57.142 56.400 0.096 0.000 0.823 88 E CB 0.270 29.984 29.700 0.024 0.000 0.766 88 E HN 0.272 nan 8.360 nan 0.000 0.468 89 R N -0.566 120.016 120.500 0.137 0.000 2.621 89 R HA 0.424 4.765 4.340 0.002 0.000 0.284 89 R C -1.340 175.038 176.300 0.130 0.000 0.998 89 R CA -0.604 55.496 56.100 -0.000 0.000 0.895 89 R CB 1.573 31.846 30.300 -0.045 0.000 1.195 89 R HN -0.041 nan 8.270 nan 0.000 0.450 90 F N -2.418 117.496 119.950 -0.060 0.000 2.770 90 F HA 0.429 4.957 4.527 0.002 0.000 0.313 90 F C -1.162 174.586 175.800 -0.086 0.000 1.154 90 F CA -1.097 56.854 58.000 -0.081 0.000 0.923 90 F CB 1.310 40.232 39.000 -0.131 0.000 1.301 90 F HN 0.153 nan 8.300 nan 0.000 0.449 91 T N 3.082 117.687 114.554 0.084 0.000 2.767 91 T HA 0.555 4.906 4.350 0.002 0.000 0.288 91 T C -0.978 173.790 174.700 0.114 0.000 0.963 91 T CA -0.322 61.790 62.100 0.019 0.000 1.019 91 T CB 1.176 70.044 68.868 0.001 0.000 0.923 91 T HN 0.711 nan 8.240 nan 0.000 0.468 92 L N 3.763 125.032 121.223 0.076 0.000 2.282 92 L HA 0.629 4.970 4.340 0.002 0.000 0.288 92 L C -0.227 176.642 176.870 -0.002 0.000 1.033 92 L CA -0.329 54.545 54.840 0.057 0.000 0.807 92 L CB 0.884 42.986 42.059 0.071 0.000 1.209 92 L HN 0.513 nan 8.230 nan 0.000 0.423 93 K N 5.941 126.338 120.400 -0.005 0.000 2.376 93 K HA 0.598 4.919 4.320 0.002 0.000 0.257 93 K C -1.585 175.003 176.600 -0.019 0.000 0.939 93 K CA -0.640 55.633 56.287 -0.024 0.000 0.809 93 K CB 1.066 33.534 32.500 -0.053 0.000 1.121 93 K HN 0.599 nan 8.250 nan 0.000 0.425 94 I N 6.020 126.563 120.570 -0.045 0.000 2.509 94 I HA 0.410 4.581 4.170 0.002 0.000 0.293 94 I C -0.271 175.807 176.117 -0.065 0.000 1.020 94 I CA -0.821 60.446 61.300 -0.054 0.000 1.088 94 I CB 1.715 39.696 38.000 -0.030 0.000 1.267 94 I HN 0.646 nan 8.210 nan 0.000 0.430 95 I N 6.685 127.220 120.570 -0.057 0.000 2.465 95 I HA 0.419 4.590 4.170 0.002 0.000 0.291 95 I C -0.411 175.674 176.117 -0.054 0.000 1.014 95 I CA -0.546 60.713 61.300 -0.069 0.000 1.093 95 I CB 2.016 39.984 38.000 -0.054 0.000 1.267 95 I HN 0.630 nan 8.210 nan 0.000 0.431 96 N N 4.520 123.177 118.700 -0.072 0.000 2.708 96 N HA 0.434 5.175 4.740 0.002 0.000 0.257 96 N C -1.585 173.883 175.510 -0.070 0.000 1.373 96 N CA -0.887 52.133 53.050 -0.051 0.000 0.843 96 N CB 2.475 40.941 38.487 -0.034 0.000 1.503 96 N HN 0.494 nan 8.380 nan 0.000 0.504 97 E N 0.628 120.800 120.200 -0.046 0.000 2.227 97 E HA 0.653 5.004 4.350 0.002 0.000 0.268 97 E C -0.376 176.202 176.600 -0.038 0.000 0.907 97 E CA -0.881 55.497 56.400 -0.037 0.000 0.786 97 E CB 2.569 32.261 29.700 -0.013 0.000 1.191 97 E HN 0.581 nan 8.360 nan 0.000 0.411 98 I N -2.372 118.186 120.570 -0.020 0.000 3.279 98 I HA 0.644 4.814 4.170 0.002 0.000 0.315 98 I C -0.748 175.381 176.117 0.019 0.000 1.187 98 I CA -0.937 60.359 61.300 -0.006 0.000 0.953 98 I CB 2.362 40.359 38.000 -0.006 0.000 1.279 98 I HN 0.342 nan 8.210 nan 0.000 0.465 99 S N 1.839 117.557 115.700 0.029 0.000 2.524 99 S HA 0.509 4.980 4.470 0.002 0.000 0.227 99 S C -2.154 172.474 174.600 0.046 0.000 1.304 99 S CA -1.209 57.012 58.200 0.035 0.000 1.185 99 S CB 0.817 64.033 63.200 0.027 0.000 1.104 99 S HN 0.536 nan 8.310 nan 0.000 0.475 100 P HA -0.073 nan 4.420 nan 0.000 0.216 100 P C 1.340 178.679 177.300 0.065 0.000 1.150 100 P CA 1.303 64.443 63.100 0.067 0.000 0.843 100 P CB 0.181 31.907 31.700 0.044 0.000 0.787 101 A N -0.563 122.284 122.820 0.045 0.000 2.119 101 A HA 0.081 4.402 4.320 0.002 0.000 0.217 101 A C 2.079 179.675 177.584 0.020 0.000 1.153 101 A CA 1.483 53.538 52.037 0.031 0.000 0.692 101 A CB -1.168 17.848 19.000 0.026 0.000 0.799 101 A HN 0.203 nan 8.150 nan 0.000 0.458 102 A N -0.454 122.380 122.820 0.024 0.000 2.275 102 A HA 0.104 4.425 4.320 0.002 0.000 0.212 102 A C 0.977 178.567 177.584 0.010 0.000 1.201 102 A CA 0.055 52.101 52.037 0.014 0.000 0.843 102 A CB -0.326 18.684 19.000 0.017 0.000 0.873 102 A HN 0.364 nan 8.150 nan 0.000 0.492 103 N N 1.464 120.179 118.700 0.024 0.000 2.663 103 N HA 0.033 4.774 4.740 0.002 0.000 0.250 103 N C 1.039 176.524 175.510 -0.042 0.000 1.129 103 N CA 0.851 53.907 53.050 0.010 0.000 0.995 103 N CB 0.556 39.084 38.487 0.067 0.000 1.324 103 N HN 0.345 nan 8.380 nan 0.000 0.512 104 T N -0.829 113.687 114.554 -0.063 0.000 3.081 104 T HA 0.121 4.471 4.350 0.002 0.000 0.255 104 T C 1.559 176.172 174.700 -0.146 0.000 1.113 104 T CA 0.496 62.542 62.100 -0.089 0.000 1.082 104 T CB 0.112 68.945 68.868 -0.060 0.000 0.939 104 T HN 0.259 nan 8.240 nan 0.000 0.506 105 A N 1.783 124.505 122.820 -0.164 0.000 2.119 105 A HA 0.449 4.770 4.320 0.002 0.000 0.216 105 A C 1.436 178.814 177.584 -0.343 0.000 1.152 105 A CA 0.439 52.350 52.037 -0.209 0.000 0.708 105 A CB -0.715 18.175 19.000 -0.183 0.000 0.805 105 A HN 0.698 nan 8.150 nan 0.000 0.460 106 L N -1.560 119.378 121.223 -0.474 0.000 3.730 106 L HA -0.185 4.156 4.340 0.002 0.000 0.410 106 L C -0.041 176.421 176.870 -0.679 0.000 1.234 106 L CA 0.693 54.917 54.840 -1.025 0.000 0.911 106 L CB -2.189 39.270 42.059 -1.000 0.000 1.942 106 L HN 0.687 nan 8.230 nan 0.000 0.860 107 E N 0.187 120.164 120.200 -0.371 0.000 2.224 107 E HA 0.568 4.919 4.350 0.002 0.000 0.265 107 E C 0.723 177.236 176.600 -0.146 0.000 0.878 107 E CA 0.317 56.549 56.400 -0.279 0.000 0.759 107 E CB 1.911 31.348 29.700 -0.438 0.000 1.164 107 E HN 0.272 nan 8.360 nan 0.000 0.414 108 G N 2.754 111.574 108.800 0.035 0.000 2.488 108 G HA2 -0.255 3.706 3.960 0.002 0.000 0.237 108 G HA3 -0.255 3.706 3.960 0.002 0.000 0.237 108 G C -1.139 173.903 174.900 0.237 0.000 1.209 108 G CA -0.193 45.001 45.100 0.156 0.000 0.929 108 G HN 0.600 nan 8.290 nan 0.000 0.578 109 L N 2.188 123.526 121.223 0.192 0.000 2.260 109 L HA 0.776 5.117 4.340 0.002 0.000 0.289 109 L C 0.083 177.050 176.870 0.160 0.000 1.057 109 L CA -0.668 54.250 54.840 0.131 0.000 0.811 109 L CB 0.024 42.152 42.059 0.114 0.000 1.184 109 L HN 0.990 nan 8.230 nan 0.000 0.429 110 Y N 1.735 122.046 120.300 0.017 0.000 2.805 110 Y HA 0.649 5.200 4.550 0.001 0.000 0.323 110 Y C -0.872 175.030 175.900 0.004 0.000 1.279 110 Y CA -1.302 56.799 58.100 0.001 0.000 1.103 110 Y CB 0.896 39.348 38.460 -0.013 0.000 1.324 110 Y HN 0.557 nan 8.280 nan 0.000 0.498 111 Q N 1.292 121.187 119.800 0.159 0.000 2.307 111 Q HA 0.499 4.840 4.340 0.002 0.000 0.262 111 Q C -1.346 174.685 176.000 0.052 0.000 0.961 111 Q CA -0.718 55.100 55.803 0.025 0.000 0.882 111 Q CB 1.580 30.327 28.738 0.015 0.000 1.264 111 Q HN 0.727 nan 8.270 nan 0.000 0.446 112 S N 3.387 119.092 115.700 0.008 0.000 2.601 112 S HA 0.617 5.088 4.470 0.002 0.000 0.312 112 S C 0.381 175.041 174.600 0.101 0.000 1.107 112 S CA 0.438 58.714 58.200 0.127 0.000 1.129 112 S CB 0.199 63.584 63.200 0.307 0.000 0.982 112 S HN 1.061 nan 8.310 nan 0.000 0.469 113 G N 4.946 113.679 108.800 -0.112 0.000 2.596 113 G HA2 -0.299 3.662 3.960 0.002 0.000 0.304 113 G HA3 -0.299 3.662 3.960 0.002 0.000 0.304 113 G C 0.348 175.247 174.900 -0.002 0.000 1.189 113 G CA 0.679 45.795 45.100 0.028 0.000 0.986 113 G HN 0.633 nan 8.290 nan 0.000 0.548 114 D N 1.983 122.396 120.400 0.021 0.000 2.348 114 D HA 0.416 5.057 4.640 0.002 0.000 0.211 114 D C 1.488 177.824 176.300 0.061 0.000 0.998 114 D CA 0.990 54.991 54.000 0.002 0.000 0.873 114 D CB 0.044 40.811 40.800 -0.054 0.000 0.925 114 D HN 0.766 nan 8.370 nan 0.000 0.524 115 A N 0.547 123.410 122.820 0.071 0.000 2.271 115 A HA 0.568 4.889 4.320 0.002 0.000 0.288 115 A C -0.083 177.561 177.584 0.099 0.000 1.094 115 A CA -0.332 51.786 52.037 0.135 0.000 0.828 115 A CB 0.660 19.758 19.000 0.164 0.000 1.091 115 A HN 0.104 nan 8.150 nan 0.000 0.493 116 L N 0.533 121.789 121.223 0.055 0.000 2.329 116 L HA 0.612 4.953 4.340 0.002 0.000 0.279 116 L C -0.140 176.623 176.870 -0.178 0.000 1.014 116 L CA -0.522 54.248 54.840 -0.116 0.000 0.814 116 L CB 1.386 43.324 42.059 -0.202 0.000 1.257 116 L HN 1.057 nan 8.230 nan 0.000 0.424 117 C N -0.353 118.733 119.300 -0.357 0.000 3.314 117 C HA 0.880 5.341 4.460 0.002 0.000 0.344 117 C C -0.073 174.654 174.990 -0.438 0.000 1.461 117 C CA -0.634 58.172 59.018 -0.353 0.000 1.249 117 C CB 1.588 29.168 27.740 -0.268 0.000 1.632 117 C HN 0.861 nan 8.230 nan 0.000 0.452 118 T N -0.880 113.550 114.554 -0.206 0.000 2.924 118 T HA 0.757 5.107 4.350 0.002 0.000 0.291 118 T C -1.113 173.711 174.700 0.206 0.000 1.045 118 T CA -0.180 61.924 62.100 0.006 0.000 1.015 118 T CB 1.820 70.713 68.868 0.043 0.000 1.103 118 T HN 1.280 nan 8.240 nan 0.000 0.496 119 Q N 0.161 120.135 119.800 0.289 0.000 2.269 119 Q HA 0.536 4.877 4.340 0.002 0.000 0.263 119 Q C -0.808 175.279 176.000 0.146 0.000 0.983 119 Q CA -0.645 55.273 55.803 0.192 0.000 0.777 119 Q CB 1.062 29.822 28.738 0.036 0.000 1.273 119 Q HN 0.832 nan 8.270 nan 0.000 0.440 120 C N 2.602 122.009 119.300 0.178 0.000 3.097 120 C HA 0.303 4.764 4.460 0.002 0.000 0.335 120 C C 0.637 175.748 174.990 0.202 0.000 1.283 120 C CA -0.112 59.053 59.018 0.246 0.000 1.778 120 C CB -0.082 27.887 27.740 0.382 0.000 2.365 120 C HN 0.868 nan 8.230 nan 0.000 0.627 121 E N 0.995 121.276 120.200 0.135 0.000 2.338 121 E HA 0.411 4.762 4.350 0.002 0.000 0.272 121 E C 0.779 177.200 176.600 -0.299 0.000 1.029 121 E CA 0.159 56.545 56.400 -0.023 0.000 0.872 121 E CB 1.052 30.760 29.700 0.013 0.000 1.015 121 E HN 0.381 nan 8.360 nan 0.000 0.417 122 A N 4.582 127.126 122.820 -0.460 0.000 1.911 122 A HA 0.007 4.328 4.320 0.002 0.000 0.212 122 A C 0.894 178.357 177.584 -0.203 0.000 1.189 122 A CA 0.686 52.288 52.037 -0.725 0.000 0.639 122 A CB 0.171 18.397 19.000 -1.291 0.000 0.839 122 A HN 0.742 nan 8.150 nan 0.000 0.449 123 E N -0.837 119.315 120.200 -0.081 0.000 3.646 123 E HA 0.271 4.622 4.350 0.002 0.000 0.211 123 E C 0.751 177.488 176.600 0.229 0.000 1.034 123 E CA 0.106 56.593 56.400 0.145 0.000 1.341 123 E CB 0.645 30.409 29.700 0.105 0.000 1.202 123 E HN 0.463 nan 8.360 nan 0.000 0.447 124 G N 0.045 108.983 108.800 0.231 0.000 2.796 124 G HA2 -0.141 3.820 3.960 0.002 0.000 0.210 124 G HA3 -0.141 3.820 3.960 0.002 0.000 0.210 124 G C 1.032 176.142 174.900 0.350 0.000 1.146 124 G CA -0.207 45.040 45.100 0.246 0.000 0.779 124 G HN 0.313 nan 8.290 nan 0.000 0.535 125 F N 2.879 122.960 119.950 0.218 0.000 2.269 125 F HA -0.025 4.503 4.527 0.002 0.000 0.301 125 F C 2.704 178.576 175.800 0.121 0.000 1.082 125 F CA 1.245 59.346 58.000 0.168 0.000 1.360 125 F CB 0.176 39.266 39.000 0.149 0.000 1.041 125 F HN 0.208 nan 8.300 nan 0.000 0.512 126 R N -1.030 119.568 120.500 0.165 0.000 2.316 126 R HA -0.073 4.268 4.340 0.002 0.000 0.202 126 R C 1.131 177.273 176.300 -0.263 0.000 1.029 126 R CA 1.316 57.388 56.100 -0.046 0.000 1.018 126 R CB -1.149 29.165 30.300 0.024 0.000 0.888 126 R HN 0.403 nan 8.270 nan 0.000 0.471 127 H N -0.023 118.973 119.070 -0.122 0.000 2.539 127 H HA 0.200 4.757 4.556 0.001 0.000 0.267 127 H C 1.334 176.556 175.328 -0.176 0.000 0.982 127 H CA 0.631 56.603 56.048 -0.126 0.000 1.146 127 H CB 0.465 30.199 29.762 -0.047 0.000 1.382 127 H HN 0.300 nan 8.280 nan 0.000 0.577 128 I N -1.090 119.342 120.570 -0.231 0.000 3.673 128 I HA 0.014 4.185 4.170 0.002 0.000 0.281 128 I C 0.746 176.596 176.117 -0.445 0.000 1.182 128 I CA 0.413 61.539 61.300 -0.289 0.000 1.391 128 I CB 1.138 38.915 38.000 -0.372 0.000 1.383 128 I HN -0.060 nan 8.210 nan 0.000 0.456 129 T N -1.309 112.868 114.554 -0.628 0.000 2.792 129 T HA 0.407 4.758 4.350 0.002 0.000 0.303 129 T C -1.684 172.806 174.700 -0.351 0.000 1.310 129 T CA -0.394 61.426 62.100 -0.467 0.000 1.007 129 T CB 0.869 69.487 68.868 -0.417 0.000 1.335 129 T HN -0.096 nan 8.240 nan 0.000 0.504 130 Y N 2.335 122.571 120.300 -0.107 0.000 2.569 130 Y HA 0.483 5.034 4.550 0.001 0.000 0.332 130 Y C -0.086 175.902 175.900 0.147 0.000 1.120 130 Y CA 0.542 58.634 58.100 -0.013 0.000 1.416 130 Y CB 0.119 38.541 38.460 -0.063 0.000 1.210 130 Y HN 0.565 nan 8.280 nan 0.000 0.528 131 Y N 1.366 121.772 120.300 0.175 0.000 2.725 131 Y HA 0.444 4.995 4.550 0.001 0.000 0.333 131 Y C -1.405 174.612 175.900 0.195 0.000 1.242 131 Y CA -1.732 56.495 58.100 0.212 0.000 1.059 131 Y CB 1.131 39.842 38.460 0.418 0.000 1.306 131 Y HN 0.342 nan 8.280 nan 0.000 0.454 132 L N 3.513 124.440 121.223 -0.494 0.000 2.395 132 L HA 0.175 4.516 4.340 0.002 0.000 0.268 132 L C -0.433 176.536 176.870 0.165 0.000 1.223 132 L CA 0.115 54.852 54.840 -0.170 0.000 1.093 132 L CB -0.304 41.586 42.059 -0.282 0.000 1.349 132 L HN 0.459 nan 8.230 nan 0.000 0.427 133 D N 5.012 125.619 120.400 0.345 0.000 2.608 133 D HA 0.129 4.770 4.640 0.002 0.000 0.224 133 D C -0.054 176.481 176.300 0.392 0.000 1.123 133 D CA -0.155 54.133 54.000 0.481 0.000 1.030 133 D CB 0.128 41.201 40.800 0.455 0.000 1.093 133 D HN 0.457 nan 8.370 nan 0.000 0.497 134 R N 1.038 121.741 120.500 0.337 0.000 2.604 134 R HA 0.402 4.743 4.340 0.002 0.000 0.270 134 R C -2.691 173.699 176.300 0.149 0.000 1.052 134 R CA -1.364 54.879 56.100 0.238 0.000 0.902 134 R CB 1.217 31.626 30.300 0.182 0.000 1.233 134 R HN -0.184 nan 8.270 nan 0.000 0.455 135 P HA -0.024 nan 4.420 nan 0.000 0.249 135 P C -0.299 176.998 177.300 -0.006 0.000 1.229 135 P CA 0.549 63.630 63.100 -0.032 0.000 0.788 135 P CB 0.217 31.661 31.700 -0.427 0.000 1.072 136 D N -0.834 119.579 120.400 0.021 0.000 2.339 136 D HA 0.014 4.654 4.640 0.002 0.000 0.217 136 D C 0.315 176.671 176.300 0.092 0.000 1.050 136 D CA -0.274 53.762 54.000 0.061 0.000 0.856 136 D CB -0.416 40.456 40.800 0.121 0.000 0.922 136 D HN -0.035 nan 8.370 nan 0.000 0.518 137 V N 1.399 121.379 119.914 0.110 0.000 2.333 137 V HA 0.275 4.396 4.120 0.002 0.000 0.274 137 V C -0.454 175.726 176.094 0.144 0.000 1.028 137 V CA -0.648 61.719 62.300 0.112 0.000 0.851 137 V CB 1.038 32.911 31.823 0.083 0.000 1.000 137 V HN 0.027 nan 8.190 nan 0.000 0.456 138 L N 5.000 126.296 121.223 0.121 0.000 2.346 138 L HA 0.915 5.256 4.340 0.002 0.000 0.276 138 L C 0.150 177.107 176.870 0.144 0.000 1.006 138 L CA 0.059 54.983 54.840 0.139 0.000 0.817 138 L CB 1.857 43.975 42.059 0.097 0.000 1.272 138 L HN 0.723 nan 8.230 nan 0.000 0.421 139 A N 2.794 125.736 122.820 0.204 0.000 2.556 139 A HA 0.820 5.141 4.320 0.002 0.000 0.294 139 A C -0.861 176.840 177.584 0.195 0.000 1.091 139 A CA -0.835 51.278 52.037 0.127 0.000 0.704 139 A CB 1.320 20.336 19.000 0.026 0.000 1.300 139 A HN 0.626 nan 8.150 nan 0.000 0.406 140 R N 0.469 121.027 120.500 0.097 0.000 2.267 140 R HA 0.427 4.768 4.340 0.002 0.000 0.319 140 R C -1.463 174.907 176.300 0.116 0.000 1.067 140 R CA 0.170 56.359 56.100 0.147 0.000 0.936 140 R CB 0.305 30.642 30.300 0.061 0.000 1.006 140 R HN 0.506 nan 8.270 nan 0.000 0.452 141 F N 1.059 121.037 119.950 0.046 0.000 2.385 141 F HA 0.283 4.811 4.527 0.001 0.000 0.336 141 F C 1.022 176.887 175.800 0.109 0.000 1.100 141 F CA -0.367 57.678 58.000 0.075 0.000 1.116 141 F CB 1.841 40.905 39.000 0.107 0.000 1.166 141 F HN 0.396 nan 8.300 nan 0.000 0.511 142 T N -0.972 113.736 114.554 0.257 0.000 2.893 142 T HA 0.733 5.084 4.350 0.002 0.000 0.293 142 T C -0.743 174.146 174.700 0.314 0.000 1.027 142 T CA -0.687 61.573 62.100 0.266 0.000 0.988 142 T CB 1.589 70.556 68.868 0.164 0.000 1.043 142 T HN 0.469 nan 8.240 nan 0.000 0.461 143 T N 2.911 117.701 114.554 0.394 0.000 2.881 143 T HA 0.521 4.872 4.350 0.002 0.000 0.291 143 T C -0.844 174.117 174.700 0.436 0.000 0.990 143 T CA -0.841 61.537 62.100 0.464 0.000 0.976 143 T CB 1.477 70.681 68.868 0.559 0.000 0.970 143 T HN 0.814 nan 8.240 nan 0.000 0.438 144 K N 4.073 124.694 120.400 0.368 0.000 2.244 144 K HA 0.684 5.005 4.320 0.002 0.000 0.260 144 K C -1.219 175.593 176.600 0.353 0.000 0.951 144 K CA -0.746 55.735 56.287 0.323 0.000 0.826 144 K CB 0.868 33.460 32.500 0.153 0.000 1.108 144 K HN 0.568 nan 8.250 nan 0.000 0.433 145 I N 5.663 126.438 120.570 0.342 0.000 2.465 145 I HA 0.393 4.564 4.170 0.002 0.000 0.291 145 I C -0.605 175.646 176.117 0.223 0.000 1.014 145 I CA -0.911 60.550 61.300 0.268 0.000 1.093 145 I CB 1.869 39.981 38.000 0.187 0.000 1.267 145 I HN 0.489 nan 8.210 nan 0.000 0.431 146 I N 5.366 126.043 120.570 0.178 0.000 2.436 146 I HA 0.830 5.001 4.170 0.002 0.000 0.289 146 I C -0.171 176.027 176.117 0.136 0.000 1.010 146 I CA -0.304 61.097 61.300 0.168 0.000 1.098 146 I CB 1.915 39.992 38.000 0.128 0.000 1.266 146 I HN 0.718 nan 8.210 nan 0.000 0.434 147 A N 3.802 126.726 122.820 0.173 0.000 2.586 147 A HA 0.434 4.755 4.320 0.002 0.000 0.290 147 A C -1.516 176.297 177.584 0.382 0.000 1.086 147 A CA -0.706 51.476 52.037 0.242 0.000 0.665 147 A CB 1.283 20.393 19.000 0.185 0.000 1.279 147 A HN 0.709 nan 8.150 nan 0.000 0.423 148 D N 0.479 121.112 120.400 0.389 0.000 2.472 148 D HA 0.117 4.758 4.640 0.002 0.000 0.248 148 D C 1.072 177.529 176.300 0.263 0.000 1.174 148 D CA 0.590 54.762 54.000 0.286 0.000 0.883 148 D CB 0.689 41.601 40.800 0.186 0.000 1.149 148 D HN 0.506 nan 8.370 nan 0.000 0.488 149 K N 3.325 123.786 120.400 0.102 0.000 2.097 149 K HA -0.084 4.237 4.320 0.002 0.000 0.205 149 K C 1.679 178.183 176.600 -0.159 0.000 1.050 149 K CA 0.778 56.948 56.287 -0.196 0.000 0.938 149 K CB 0.073 32.357 32.500 -0.360 0.000 0.718 149 K HN 0.599 nan 8.250 nan 0.000 0.442 150 I N 0.604 121.107 120.570 -0.112 0.000 2.233 150 I HA -0.234 3.936 4.170 0.002 0.000 0.243 150 I C 2.441 178.453 176.117 -0.174 0.000 1.093 150 I CA 1.081 62.305 61.300 -0.128 0.000 1.380 150 I CB -0.068 37.873 38.000 -0.098 0.000 1.067 150 I HN 0.121 nan 8.210 nan 0.000 0.413 151 K N 0.278 120.527 120.400 -0.252 0.000 2.103 151 K HA -0.108 4.212 4.320 0.002 0.000 0.204 151 K C -0.165 176.045 176.600 -0.650 0.000 1.052 151 K CA 1.177 57.142 56.287 -0.537 0.000 0.945 151 K CB 0.203 32.217 32.500 -0.809 0.000 0.722 151 K HN 0.194 nan 8.250 nan 0.000 0.443 152 Y N 0.088 120.425 120.300 0.061 0.000 2.747 152 Y HA 0.263 4.814 4.550 0.002 0.000 0.362 152 Y C -2.112 173.898 175.900 0.185 0.000 1.026 152 Y CA -2.505 55.670 58.100 0.126 0.000 1.135 152 Y CB 1.254 39.808 38.460 0.157 0.000 1.175 152 Y HN 0.106 nan 8.280 nan 0.000 0.643 153 P HA -0.068 nan 4.420 nan 0.000 0.225 153 P C -0.246 177.013 177.300 -0.068 0.000 1.156 153 P CA 0.915 63.974 63.100 -0.068 0.000 0.787 153 P CB 0.290 31.826 31.700 -0.272 0.000 0.802 154 F N 0.431 120.584 119.950 0.339 0.000 2.404 154 F HA 0.368 4.896 4.527 0.002 0.000 0.354 154 F C 0.667 176.639 175.800 0.287 0.000 1.122 154 F CA -0.761 57.451 58.000 0.353 0.000 1.080 154 F CB 1.142 40.411 39.000 0.448 0.000 1.131 154 F HN -0.344 nan 8.300 nan 0.000 0.471 155 L N 5.869 127.325 121.223 0.388 0.000 2.345 155 L HA 0.539 4.880 4.340 0.002 0.000 0.274 155 L C -0.968 176.065 176.870 0.272 0.000 0.999 155 L CA -0.396 54.594 54.840 0.251 0.000 0.849 155 L CB 1.151 43.315 42.059 0.174 0.000 1.220 155 L HN 0.520 nan 8.230 nan 0.000 0.422 156 L N 2.188 123.346 121.223 -0.109 0.000 2.362 156 L HA 0.723 5.064 4.340 0.002 0.000 0.271 156 L C -0.066 176.194 176.870 -1.016 0.000 1.002 156 L CA -0.263 54.190 54.840 -0.644 0.000 0.818 156 L CB 2.111 43.751 42.059 -0.699 0.000 1.298 156 L HN 0.530 nan 8.230 nan 0.000 0.420 157 S N 0.828 115.382 115.700 -1.910 0.000 2.794 157 S HA 0.489 4.960 4.470 0.002 0.000 0.299 157 S C -0.971 173.017 174.600 -1.020 0.000 1.179 157 S CA -0.802 56.708 58.200 -1.149 0.000 0.838 157 S CB 1.456 64.299 63.200 -0.595 0.000 1.206 157 S HN 0.708 nan 8.310 nan 0.000 0.523 158 N N 0.916 119.280 118.700 -0.559 0.000 2.454 158 N HA 0.492 5.233 4.740 0.002 0.000 0.254 158 N C 0.701 176.193 175.510 -0.031 0.000 1.228 158 N CA 1.389 54.243 53.050 -0.327 0.000 0.900 158 N CB 0.346 38.670 38.487 -0.270 0.000 1.089 158 N HN 1.061 nan 8.380 nan 0.000 0.449 159 G N 1.160 109.994 108.800 0.057 0.000 2.475 159 G HA2 -0.238 3.723 3.960 0.002 0.000 0.223 159 G HA3 -0.238 3.723 3.960 0.002 0.000 0.223 159 G C -0.989 174.162 174.900 0.419 0.000 1.201 159 G CA -0.651 44.581 45.100 0.219 0.000 0.962 159 G HN 0.613 nan 8.290 nan 0.000 0.586 160 N N 0.575 119.487 118.700 0.353 0.000 2.417 160 N HA 0.485 5.226 4.740 0.002 0.000 0.300 160 N C 0.029 175.542 175.510 0.005 0.000 1.102 160 N CA -0.606 52.585 53.050 0.235 0.000 0.886 160 N CB 1.820 40.368 38.487 0.101 0.000 1.203 160 N HN 0.674 nan 8.380 nan 0.000 0.496 161 R N 1.311 121.526 120.500 -0.475 0.000 2.242 161 R HA 0.154 4.494 4.340 0.002 0.000 0.334 161 R C 0.855 176.910 176.300 -0.408 0.000 1.071 161 R CA -0.165 55.369 56.100 -0.944 0.000 0.922 161 R CB 0.096 29.750 30.300 -1.077 0.000 1.023 161 R HN 0.514 nan 8.270 nan 0.000 0.458 162 V N 1.001 120.745 119.914 -0.283 0.000 3.605 162 V HA 0.551 4.671 4.120 0.002 0.000 0.284 162 V C 0.247 176.285 176.094 -0.094 0.000 1.386 162 V CA 0.492 62.718 62.300 -0.122 0.000 1.053 162 V CB 0.229 32.035 31.823 -0.028 0.000 0.857 162 V HN 0.645 nan 8.190 nan 0.000 0.436 163 A N 0.805 123.542 122.820 -0.139 0.000 2.599 163 A HA 0.779 5.100 4.320 0.002 0.000 0.294 163 A C -1.351 176.029 177.584 -0.341 0.000 1.055 163 A CA -0.408 51.565 52.037 -0.107 0.000 0.683 163 A CB 1.489 20.590 19.000 0.168 0.000 1.278 163 A HN 0.671 nan 8.150 nan 0.000 0.412 164 Q N 0.580 119.987 119.800 -0.655 0.000 2.479 164 Q HA 0.696 5.037 4.340 0.002 0.000 0.276 164 Q C -0.438 174.824 176.000 -1.229 0.000 0.989 164 Q CA -0.651 54.561 55.803 -0.986 0.000 0.864 164 Q CB 1.904 30.342 28.738 -0.500 0.000 1.444 164 Q HN 1.923 nan 8.270 nan 0.000 0.388 165 G N 0.869 108.712 108.800 -1.595 0.000 2.677 165 G HA2 0.514 4.474 3.960 0.002 0.000 0.291 165 G HA3 0.514 4.474 3.960 0.002 0.000 0.291 165 G C -1.442 173.185 174.900 -0.455 0.000 1.435 165 G CA -0.581 43.950 45.100 -0.950 0.000 0.826 165 G HN 0.439 nan 8.290 nan 0.000 0.491 166 E N -0.282 119.872 120.200 -0.076 0.000 2.212 166 E HA 0.658 5.009 4.350 0.002 0.000 0.270 166 E C -0.569 176.142 176.600 0.186 0.000 0.956 166 E CA -0.489 55.955 56.400 0.073 0.000 0.825 166 E CB 2.516 32.235 29.700 0.033 0.000 1.167 166 E HN 0.313 nan 8.360 nan 0.000 0.400 167 L N 0.245 121.586 121.223 0.197 0.000 2.257 167 L HA 0.344 4.685 4.340 0.002 0.000 0.257 167 L C 0.484 177.423 176.870 0.116 0.000 1.033 167 L CA -1.039 53.908 54.840 0.179 0.000 0.835 167 L CB 1.266 43.452 42.059 0.212 0.000 1.398 167 L HN 0.506 nan 8.230 nan 0.000 0.429 168 E N -0.445 119.810 120.200 0.092 0.000 2.391 168 E HA 0.173 4.524 4.350 0.002 0.000 0.255 168 E C -0.598 176.043 176.600 0.068 0.000 1.187 168 E CA -0.550 55.889 56.400 0.066 0.000 0.941 168 E CB 0.146 29.878 29.700 0.052 0.000 1.010 168 E HN 0.584 nan 8.360 nan 0.000 0.458 169 N N -0.220 118.510 118.700 0.051 0.000 2.776 169 N HA -0.183 4.558 4.740 0.002 0.000 0.250 169 N C 0.625 176.166 175.510 0.053 0.000 1.112 169 N CA 1.257 54.336 53.050 0.048 0.000 0.733 169 N CB -1.731 36.788 38.487 0.053 0.000 1.097 169 N HN 1.043 nan 8.380 nan 0.000 0.558 170 G N -0.635 108.193 108.800 0.047 0.000 2.179 170 G HA2 -0.379 3.582 3.960 0.002 0.000 0.257 170 G HA3 -0.379 3.582 3.960 0.002 0.000 0.257 170 G C 0.148 175.092 174.900 0.073 0.000 1.010 170 G CA 0.835 45.957 45.100 0.036 0.000 0.736 170 G HN 0.626 nan 8.290 nan 0.000 0.513 171 R N -0.490 120.086 120.500 0.127 0.000 2.643 171 R HA 0.766 5.107 4.340 0.002 0.000 0.272 171 R C 0.524 177.006 176.300 0.302 0.000 0.995 171 R CA -0.238 55.993 56.100 0.219 0.000 1.032 171 R CB 1.024 31.444 30.300 0.200 0.000 1.126 171 R HN 0.788 nan 8.270 nan 0.000 0.505 172 H N -1.523 117.636 119.070 0.148 0.000 2.966 172 H HA 0.618 5.175 4.556 0.002 0.000 0.330 172 H C -1.467 174.020 175.328 0.265 0.000 1.292 172 H CA -1.214 54.918 56.048 0.140 0.000 1.127 172 H CB 1.625 31.395 29.762 0.014 0.000 1.863 172 H HN 0.668 nan 8.280 nan 0.000 0.543 173 W N 0.367 121.590 121.300 -0.128 0.000 3.083 173 W HA 0.692 5.352 4.660 0.001 0.000 0.333 173 W C -2.432 174.004 176.519 -0.139 0.000 1.217 173 W CA -1.242 56.007 57.345 -0.161 0.000 1.170 173 W CB 0.917 30.357 29.460 -0.032 0.000 1.437 173 W HN 0.529 nan 8.180 nan 0.000 0.557 174 V N 1.620 121.647 119.914 0.187 0.000 2.888 174 V HA 0.338 4.459 4.120 0.002 0.000 0.309 174 V C -0.660 175.598 176.094 0.273 0.000 1.114 174 V CA -0.660 61.663 62.300 0.039 0.000 0.940 174 V CB 1.941 33.778 31.823 0.023 0.000 1.021 174 V HN 0.642 nan 8.190 nan 0.000 0.426 175 Q N 1.853 121.737 119.800 0.139 0.000 2.342 175 Q HA 0.564 4.905 4.340 0.002 0.000 0.267 175 Q C -2.029 173.917 176.000 -0.090 0.000 1.038 175 Q CA -0.574 55.350 55.803 0.201 0.000 0.832 175 Q CB 2.320 31.237 28.738 0.299 0.000 1.323 175 Q HN 0.701 nan 8.270 nan 0.000 0.448 176 W N 1.519 122.904 121.300 0.140 0.000 2.761 176 W HA 0.467 5.128 4.660 0.001 0.000 0.340 176 W C -0.731 175.857 176.519 0.116 0.000 1.072 176 W CA -0.466 56.940 57.345 0.102 0.000 1.215 176 W CB 1.933 31.437 29.460 0.074 0.000 1.420 176 W HN 0.503 nan 8.180 nan 0.000 0.519 177 Q N 2.222 122.212 119.800 0.316 0.000 2.271 177 Q HA 0.227 4.568 4.340 0.002 0.000 0.268 177 Q C -1.792 174.332 176.000 0.207 0.000 1.021 177 Q CA -0.548 55.390 55.803 0.226 0.000 0.802 177 Q CB 1.884 30.702 28.738 0.134 0.000 1.282 177 Q HN 0.366 nan 8.270 nan 0.000 0.431 178 D N 5.305 125.822 120.400 0.195 0.000 2.414 178 D HA 0.303 4.944 4.640 0.002 0.000 0.232 178 D C -1.790 174.577 176.300 0.110 0.000 1.070 178 D CA -2.227 51.865 54.000 0.153 0.000 0.839 178 D CB 1.795 42.669 40.800 0.123 0.000 1.079 178 D HN 0.363 nan 8.370 nan 0.000 0.521 179 P HA 0.011 nan 4.420 nan 0.000 0.226 179 P C 0.065 177.236 177.300 -0.216 0.000 1.153 179 P CA 0.301 63.317 63.100 -0.141 0.000 0.777 179 P CB 0.026 31.533 31.700 -0.321 0.000 0.794 180 F N 1.591 121.525 119.950 -0.026 0.000 2.411 180 F HA 0.346 4.874 4.527 0.001 0.000 0.350 180 F C -1.742 174.051 175.800 -0.011 0.000 1.114 180 F CA -2.700 55.270 58.000 -0.049 0.000 1.135 180 F CB -0.041 38.888 39.000 -0.120 0.000 1.120 180 F HN -0.248 nan 8.300 nan 0.000 0.495 181 P HA 0.061 nan 4.420 nan 0.000 0.265 181 P C -1.190 176.183 177.300 0.122 0.000 1.193 181 P CA -0.124 63.066 63.100 0.149 0.000 0.765 181 P CB 0.383 32.147 31.700 0.107 0.000 0.823 182 K N 3.094 123.570 120.400 0.127 0.000 2.508 182 K HA 0.642 4.962 4.320 0.002 0.000 0.260 182 K C -3.111 173.520 176.600 0.051 0.000 0.949 182 K CA -2.478 53.800 56.287 -0.015 0.000 0.834 182 K CB 1.950 34.333 32.500 -0.196 0.000 1.365 182 K HN 0.098 nan 8.250 nan 0.000 0.437 183 P HA -0.001 nan 4.420 nan 0.000 0.274 183 P C 0.952 178.205 177.300 -0.080 0.000 1.237 183 P CA -0.560 62.570 63.100 0.050 0.000 0.793 183 P CB 0.760 32.506 31.700 0.077 0.000 0.977 184 C N 0.144 119.463 119.300 0.032 0.000 2.456 184 C HA -0.068 4.393 4.460 0.002 0.000 0.279 184 C C 2.605 177.512 174.990 -0.138 0.000 1.427 184 C CA 0.150 58.992 59.018 -0.293 0.000 1.778 184 C CB -2.618 24.683 27.740 -0.732 0.000 1.842 184 C HN 0.634 nan 8.230 nan 0.000 0.531 185 Y N 0.873 121.235 120.300 0.103 0.000 2.569 185 Y HA 0.190 4.741 4.550 0.001 0.000 0.293 185 Y C 1.734 177.677 175.900 0.072 0.000 1.144 185 Y CA 0.756 58.968 58.100 0.188 0.000 1.321 185 Y CB -0.771 37.924 38.460 0.391 0.000 0.982 185 Y HN 0.282 nan 8.280 nan 0.000 0.558 186 L N -0.086 120.825 121.223 -0.520 0.000 2.628 186 L HA 0.164 4.505 4.340 0.002 0.000 0.229 186 L C 0.263 176.901 176.870 -0.387 0.000 1.137 186 L CA -0.510 54.035 54.840 -0.493 0.000 0.909 186 L CB -0.181 41.485 42.059 -0.655 0.000 1.137 186 L HN 0.215 nan 8.230 nan 0.000 0.470 187 F N 1.700 121.354 119.950 -0.495 0.000 2.471 187 F HA 0.464 4.992 4.527 0.001 0.000 0.353 187 F C 0.338 175.993 175.800 -0.242 0.000 1.113 187 F CA -0.615 57.081 58.000 -0.507 0.000 1.262 187 F CB 0.518 39.212 39.000 -0.509 0.000 1.146 187 F HN -0.098 nan 8.300 nan 0.000 0.578 188 A N 6.666 128.643 122.820 -1.405 0.000 2.572 188 A HA 0.761 5.082 4.320 0.002 0.000 0.295 188 A C -2.082 174.716 177.584 -1.309 0.000 1.072 188 A CA -0.763 50.632 52.037 -1.071 0.000 0.691 188 A CB 1.538 20.186 19.000 -0.587 0.000 1.291 188 A HN 1.072 nan 8.150 nan 0.000 0.404 189 L N 1.428 122.170 121.223 -0.803 0.000 2.482 189 L HA 0.827 5.168 4.340 0.002 0.000 0.263 189 L C -1.907 174.699 176.870 -0.440 0.000 0.957 189 L CA -0.619 53.839 54.840 -0.637 0.000 0.836 189 L CB 2.114 43.829 42.059 -0.573 0.000 1.324 189 L HN 0.581 nan 8.230 nan 0.000 0.406 190 V N 3.446 123.122 119.914 -0.397 0.000 2.760 190 V HA 0.922 5.043 4.120 0.002 0.000 0.309 190 V C -0.570 175.451 176.094 -0.120 0.000 1.077 190 V CA -0.203 61.941 62.300 -0.259 0.000 0.910 190 V CB 1.826 33.445 31.823 -0.339 0.000 1.008 190 V HN 0.897 nan 8.190 nan 0.000 0.424 191 A N 2.763 125.586 122.820 0.006 0.000 2.398 191 A HA 1.054 5.374 4.320 0.002 0.000 0.301 191 A C -0.058 177.761 177.584 0.391 0.000 1.041 191 A CA 0.135 52.247 52.037 0.125 0.000 0.711 191 A CB 1.948 20.804 19.000 -0.241 0.000 1.240 191 A HN 1.842 nan 8.150 nan 0.000 0.420 192 G N 0.367 109.484 108.800 0.529 0.000 2.344 192 G HA2 0.442 4.403 3.960 0.002 0.000 0.282 192 G HA3 0.442 4.403 3.960 0.002 0.000 0.282 192 G C -2.221 172.661 174.900 -0.030 0.000 1.281 192 G CA -0.195 45.025 45.100 0.201 0.000 0.877 192 G HN 0.834 nan 8.290 nan 0.000 0.494 193 D N -0.391 119.728 120.400 -0.469 0.000 2.391 193 D HA 0.753 5.394 4.640 0.002 0.000 0.245 193 D C -1.140 174.848 176.300 -0.521 0.000 1.069 193 D CA -0.204 53.682 54.000 -0.189 0.000 0.831 193 D CB 1.036 41.775 40.800 -0.103 0.000 1.204 193 D HN 0.224 nan 8.370 nan 0.000 0.503 194 F N 0.921 121.025 119.950 0.255 0.000 2.626 194 F HA 0.329 4.857 4.527 0.002 0.000 0.311 194 F C 0.212 176.000 175.800 -0.019 0.000 1.088 194 F CA -1.016 57.005 58.000 0.036 0.000 0.949 194 F CB 1.535 40.501 39.000 -0.057 0.000 1.322 194 F HN 0.068 nan 8.300 nan 0.000 0.461 195 D N 1.099 121.583 120.400 0.139 0.000 2.264 195 D HA 0.558 5.198 4.640 0.002 0.000 0.249 195 D C -0.844 175.378 176.300 -0.130 0.000 1.070 195 D CA 0.064 54.078 54.000 0.023 0.000 0.912 195 D CB 2.046 42.857 40.800 0.019 0.000 1.193 195 D HN 0.141 nan 8.370 nan 0.000 0.427 196 V N 2.520 122.295 119.914 -0.231 0.000 2.483 196 V HA 0.216 4.337 4.120 0.002 0.000 0.297 196 V C -0.339 175.593 176.094 -0.269 0.000 1.027 196 V CA -0.928 61.103 62.300 -0.449 0.000 0.855 196 V CB 1.784 33.218 31.823 -0.648 0.000 0.995 196 V HN 0.298 nan 8.190 nan 0.000 0.424 197 L N 6.278 127.346 121.223 -0.258 0.000 2.265 197 L HA 0.577 4.918 4.340 0.002 0.000 0.288 197 L C 0.149 176.913 176.870 -0.177 0.000 1.058 197 L CA 0.330 55.070 54.840 -0.167 0.000 0.809 197 L CB 0.596 42.574 42.059 -0.135 0.000 1.179 197 L HN 0.604 nan 8.230 nan 0.000 0.429 198 R N 3.799 124.230 120.500 -0.116 0.000 2.494 198 R HA 0.568 4.909 4.340 0.002 0.000 0.305 198 R C -1.168 175.103 176.300 -0.048 0.000 0.959 198 R CA -0.786 55.262 56.100 -0.086 0.000 0.864 198 R CB 1.774 32.040 30.300 -0.057 0.000 1.159 198 R HN 0.611 nan 8.270 nan 0.000 0.446 199 D N 0.248 120.627 120.400 -0.034 0.000 2.812 199 D HA 0.375 5.016 4.640 0.002 0.000 0.318 199 D C -1.236 175.073 176.300 0.016 0.000 1.234 199 D CA -0.123 53.869 54.000 -0.012 0.000 0.989 199 D CB 2.340 43.125 40.800 -0.025 0.000 1.442 199 D HN 0.512 nan 8.370 nan 0.000 0.537 200 T N -1.938 112.637 114.554 0.035 0.000 2.883 200 T HA 0.693 5.044 4.350 0.002 0.000 0.301 200 T C -1.346 173.425 174.700 0.120 0.000 1.158 200 T CA -0.739 61.403 62.100 0.070 0.000 1.007 200 T CB 1.358 70.255 68.868 0.049 0.000 1.186 200 T HN 0.264 nan 8.240 nan 0.000 0.499 201 F N 0.753 120.688 119.950 -0.025 0.000 2.565 201 F HA 0.665 5.193 4.527 0.001 0.000 0.313 201 F C -0.850 174.958 175.800 0.013 0.000 1.091 201 F CA -0.376 57.605 58.000 -0.032 0.000 0.915 201 F CB 2.474 41.422 39.000 -0.088 0.000 1.208 201 F HN 0.749 nan 8.300 nan 0.000 0.453 202 T N 3.872 118.038 114.554 -0.648 0.000 2.772 202 T HA 0.351 4.702 4.350 0.002 0.000 0.288 202 T C -0.023 174.394 174.700 -0.471 0.000 0.994 202 T CA -0.512 61.372 62.100 -0.361 0.000 0.951 202 T CB 0.861 69.580 68.868 -0.249 0.000 0.933 202 T HN 0.772 nan 8.240 nan 0.000 0.447 203 T N 0.875 115.410 114.554 -0.032 0.000 2.766 203 T HA 0.187 4.538 4.350 0.002 0.000 0.295 203 T C 1.661 176.383 174.700 0.036 0.000 1.024 203 T CA -0.817 61.373 62.100 0.151 0.000 1.018 203 T CB 0.697 69.735 68.868 0.284 0.000 1.002 203 T HN 0.550 nan 8.240 nan 0.000 0.532 204 R N 0.680 121.235 120.500 0.091 0.000 2.241 204 R HA -0.081 4.260 4.340 0.002 0.000 0.224 204 R C 1.675 177.996 176.300 0.035 0.000 1.101 204 R CA 1.981 58.107 56.100 0.042 0.000 0.995 204 R CB -1.248 29.086 30.300 0.057 0.000 0.870 204 R HN 0.751 nan 8.270 nan 0.000 0.463 205 S N -1.461 114.274 115.700 0.058 0.000 2.577 205 S HA 0.268 4.739 4.470 0.002 0.000 0.219 205 S C 1.156 175.780 174.600 0.041 0.000 0.962 205 S CA 0.179 58.408 58.200 0.048 0.000 0.921 205 S CB 0.355 63.591 63.200 0.060 0.000 0.789 205 S HN 0.592 nan 8.310 nan 0.000 0.497 206 G N 1.849 110.669 108.800 0.032 0.000 2.176 206 G HA2 -0.269 3.692 3.960 0.002 0.000 0.232 206 G HA3 -0.269 3.692 3.960 0.002 0.000 0.232 206 G C 0.042 174.966 174.900 0.041 0.000 0.986 206 G CA -0.119 44.992 45.100 0.019 0.000 0.643 206 G HN 0.799 nan 8.290 nan 0.000 0.522 207 R N 1.131 121.678 120.500 0.077 0.000 2.401 207 R HA 0.414 4.755 4.340 0.002 0.000 0.299 207 R C -0.098 176.270 176.300 0.114 0.000 1.064 207 R CA -0.048 56.115 56.100 0.106 0.000 1.000 207 R CB 0.368 30.755 30.300 0.145 0.000 0.973 207 R HN 0.379 nan 8.270 nan 0.000 0.438 208 E N 3.842 124.101 120.200 0.098 0.000 2.200 208 E HA 0.217 4.568 4.350 0.002 0.000 0.283 208 E C -1.247 175.446 176.600 0.155 0.000 1.015 208 E CA -0.736 55.721 56.400 0.094 0.000 0.819 208 E CB 1.405 31.140 29.700 0.059 0.000 1.081 208 E HN 0.404 nan 8.360 nan 0.000 0.397 209 V N 3.401 123.434 119.914 0.197 0.000 2.448 209 V HA 0.471 4.592 4.120 0.002 0.000 0.295 209 V C 0.011 176.217 176.094 0.186 0.000 1.025 209 V CA -0.876 61.574 62.300 0.251 0.000 0.859 209 V CB 1.375 33.406 31.823 0.347 0.000 0.988 209 V HN 0.825 nan 8.190 nan 0.000 0.431 210 A N 6.238 129.161 122.820 0.173 0.000 2.401 210 A HA 0.757 5.078 4.320 0.002 0.000 0.259 210 A C -0.485 177.174 177.584 0.125 0.000 1.103 210 A CA -0.213 51.901 52.037 0.127 0.000 0.789 210 A CB 0.179 19.253 19.000 0.123 0.000 1.035 210 A HN 0.812 nan 8.150 nan 0.000 0.491 211 L N 2.325 123.587 121.223 0.065 0.000 2.313 211 L HA 0.522 4.863 4.340 0.002 0.000 0.283 211 L C -0.281 176.583 176.870 -0.010 0.000 1.013 211 L CA -0.209 54.646 54.840 0.024 0.000 0.816 211 L CB 1.643 43.668 42.059 -0.056 0.000 1.236 211 L HN 0.782 nan 8.230 nan 0.000 0.419 212 E N 3.756 123.954 120.200 -0.004 0.000 2.263 212 E HA 0.470 4.820 4.350 0.002 0.000 0.268 212 E C -1.531 174.965 176.600 -0.174 0.000 0.884 212 E CA -0.812 55.512 56.400 -0.126 0.000 0.766 212 E CB 3.232 32.884 29.700 -0.080 0.000 1.196 212 E HN 0.192 nan 8.360 nan 0.000 0.416 213 L N 3.720 124.749 121.223 -0.324 0.000 2.342 213 L HA 0.395 4.736 4.340 0.002 0.000 0.276 213 L C -1.845 174.787 176.870 -0.396 0.000 0.997 213 L CA -0.640 54.044 54.840 -0.261 0.000 0.838 213 L CB 0.305 42.231 42.059 -0.221 0.000 1.224 213 L HN 0.453 nan 8.230 nan 0.000 0.416 214 Y N 4.906 125.008 120.300 -0.331 0.000 2.365 214 Y HA 0.576 5.126 4.550 0.001 0.000 0.340 214 Y C 0.539 176.283 175.900 -0.260 0.000 1.016 214 Y CA -0.302 57.547 58.100 -0.417 0.000 1.196 214 Y CB 1.324 39.256 38.460 -0.880 0.000 1.167 214 Y HN 0.521 nan 8.280 nan 0.000 0.509 215 V N -0.704 119.243 119.914 0.054 0.000 3.040 215 V HA 0.540 4.661 4.120 0.002 0.000 0.312 215 V C -0.525 175.726 176.094 0.263 0.000 1.115 215 V CA -1.329 61.047 62.300 0.127 0.000 0.998 215 V CB 1.933 33.770 31.823 0.025 0.000 1.042 215 V HN 0.490 nan 8.190 nan 0.000 0.433 216 D N 1.983 122.509 120.400 0.211 0.000 2.478 216 D HA 0.127 4.768 4.640 0.002 0.000 0.234 216 D C 0.507 176.860 176.300 0.088 0.000 1.154 216 D CA 0.320 54.406 54.000 0.143 0.000 0.874 216 D CB 0.380 41.235 40.800 0.092 0.000 1.198 216 D HN 0.468 nan 8.370 nan 0.000 0.455 217 R N 0.873 121.404 120.500 0.051 0.000 2.537 217 R HA 0.197 4.538 4.340 0.002 0.000 0.281 217 R C 1.246 177.565 176.300 0.031 0.000 0.988 217 R CA 0.946 57.071 56.100 0.040 0.000 1.077 217 R CB -0.100 30.214 30.300 0.023 0.000 0.932 217 R HN 0.801 nan 8.270 nan 0.000 0.409 218 G N 2.684 111.500 108.800 0.027 0.000 2.176 218 G HA2 -0.303 3.658 3.960 0.002 0.000 0.232 218 G HA3 -0.303 3.658 3.960 0.002 0.000 0.232 218 G C 0.518 175.430 174.900 0.019 0.000 0.986 218 G CA 0.306 45.418 45.100 0.019 0.000 0.643 218 G HN 0.699 nan 8.290 nan 0.000 0.522 219 N N -0.449 118.265 118.700 0.023 0.000 2.203 219 N HA 0.289 5.030 4.740 0.002 0.000 0.207 219 N C 1.667 177.181 175.510 0.008 0.000 1.130 219 N CA -0.456 52.605 53.050 0.018 0.000 0.861 219 N CB 0.215 38.715 38.487 0.023 0.000 1.005 219 N HN 0.177 nan 8.380 nan 0.000 0.507 220 L N 1.931 123.156 121.223 0.004 0.000 2.187 220 L HA -0.181 4.160 4.340 0.002 0.000 0.213 220 L C 1.801 178.671 176.870 0.000 0.000 1.100 220 L CA 1.690 56.525 54.840 -0.008 0.000 0.765 220 L CB -0.488 41.566 42.059 -0.009 0.000 0.904 220 L HN 0.343 nan 8.230 nan 0.000 0.437 221 D N -1.460 118.946 120.400 0.010 0.000 2.371 221 D HA -0.193 4.448 4.640 0.002 0.000 0.221 221 D C 1.638 177.954 176.300 0.027 0.000 0.986 221 D CA 0.670 54.682 54.000 0.019 0.000 0.899 221 D CB -0.185 40.628 40.800 0.020 0.000 0.902 221 D HN 0.326 nan 8.370 nan 0.000 0.530 222 R N -0.439 120.071 120.500 0.016 0.000 2.509 222 R HA 0.426 4.767 4.340 0.002 0.000 0.300 222 R C 1.458 177.770 176.300 0.019 0.000 0.985 222 R CA 0.355 56.463 56.100 0.014 0.000 1.092 222 R CB 0.812 31.106 30.300 -0.009 0.000 1.237 222 R HN 0.161 nan 8.270 nan 0.000 0.546 223 A N 1.324 124.153 122.820 0.015 0.000 2.014 223 A HA 0.185 4.506 4.320 0.002 0.000 0.210 223 A C -0.861 176.735 177.584 0.020 0.000 1.188 223 A CA 0.208 52.241 52.037 -0.007 0.000 0.731 223 A CB -0.442 18.529 19.000 -0.050 0.000 0.858 223 A HN 0.030 nan 8.150 nan 0.000 0.464 224 P HA -0.203 nan 4.420 nan 0.000 0.218 224 P C 1.491 178.874 177.300 0.138 0.000 1.148 224 P CA 1.057 64.202 63.100 0.075 0.000 0.822 224 P CB -0.237 31.522 31.700 0.099 0.000 0.784 225 W N 0.640 121.952 121.300 0.021 0.000 2.388 225 W HA -0.135 4.526 4.660 0.001 0.000 0.294 225 W C 1.887 178.409 176.519 0.004 0.000 1.212 225 W CA 1.289 58.670 57.345 0.059 0.000 1.271 225 W CB -0.409 29.145 29.460 0.157 0.000 1.126 225 W HN -0.083 nan 8.180 nan 0.000 0.535 226 A N 0.974 123.723 122.820 -0.118 0.000 1.902 226 A HA -0.275 4.046 4.320 0.002 0.000 0.217 226 A C 1.871 179.256 177.584 -0.332 0.000 1.181 226 A CA 2.153 54.021 52.037 -0.282 0.000 0.623 226 A CB -1.017 17.864 19.000 -0.198 0.000 0.818 226 A HN 0.370 nan 8.150 nan 0.000 0.443 227 M N 0.120 119.582 119.600 -0.229 0.000 2.086 227 M HA -0.101 4.380 4.480 0.002 0.000 0.261 227 M C 2.001 178.154 176.300 -0.245 0.000 1.067 227 M CA 2.531 57.697 55.300 -0.222 0.000 1.116 227 M CB -1.145 31.375 32.600 -0.133 0.000 1.348 227 M HN 0.368 nan 8.290 nan 0.000 0.407 228 T N -0.129 114.292 114.554 -0.222 0.000 2.684 228 T HA -0.118 4.232 4.350 0.002 0.000 0.267 228 T C 1.914 176.386 174.700 -0.381 0.000 1.036 228 T CA 1.893 63.854 62.100 -0.231 0.000 1.148 228 T CB -0.515 68.275 68.868 -0.130 0.000 0.863 228 T HN 0.448 nan 8.240 nan 0.000 0.436 229 S N 1.223 116.548 115.700 -0.625 0.000 2.383 229 S HA -0.067 4.404 4.470 0.002 0.000 0.229 229 S C 1.913 176.278 174.600 -0.392 0.000 1.030 229 S CA 0.719 58.586 58.200 -0.556 0.000 1.002 229 S CB -0.486 62.293 63.200 -0.702 0.000 0.829 229 S HN 0.259 nan 8.310 nan 0.000 0.467 230 L N 2.049 122.996 121.223 -0.459 0.000 2.017 230 L HA -0.067 4.274 4.340 0.002 0.000 0.208 230 L C 1.962 178.429 176.870 -0.672 0.000 1.073 230 L CA 1.837 56.316 54.840 -0.602 0.000 0.745 230 L CB -0.604 41.095 42.059 -0.600 0.000 0.894 230 L HN 0.125 nan 8.230 nan 0.000 0.432 231 K N -0.590 119.524 120.400 -0.476 0.000 2.057 231 K HA -0.145 4.176 4.320 0.002 0.000 0.207 231 K C 1.906 178.328 176.600 -0.297 0.000 1.049 231 K CA 1.411 57.446 56.287 -0.420 0.000 0.931 231 K CB -0.454 32.009 32.500 -0.062 0.000 0.714 231 K HN 0.362 nan 8.250 nan 0.000 0.440 232 N N 0.947 119.558 118.700 -0.148 0.000 2.104 232 N HA -0.117 4.624 4.740 0.002 0.000 0.190 232 N C 1.835 177.408 175.510 0.105 0.000 1.024 232 N CA 1.272 54.358 53.050 0.061 0.000 0.853 232 N CB -0.395 38.169 38.487 0.128 0.000 1.008 232 N HN 0.053 nan 8.380 nan 0.000 0.424 233 S N 0.928 116.491 115.700 -0.228 0.000 2.370 233 S HA -0.047 4.424 4.470 0.002 0.000 0.226 233 S C 2.010 176.447 174.600 -0.270 0.000 1.033 233 S CA 1.042 58.941 58.200 -0.502 0.000 1.011 233 S CB -0.140 62.498 63.200 -0.937 0.000 0.852 233 S HN 0.340 nan 8.310 nan 0.000 0.457 234 M N 0.671 119.821 119.600 -0.750 0.000 2.200 234 M HA -0.055 4.426 4.480 0.002 0.000 0.265 234 M C 2.227 178.411 176.300 -0.194 0.000 1.066 234 M CA 1.196 56.026 55.300 -0.783 0.000 1.127 234 M CB -0.289 31.363 32.600 -1.581 0.000 1.379 234 M HN 0.083 nan 8.290 nan 0.000 0.420 235 K N 0.020 120.377 120.400 -0.072 0.000 2.025 235 K HA -0.202 4.119 4.320 0.002 0.000 0.207 235 K C 1.686 178.461 176.600 0.293 0.000 1.049 235 K CA 1.574 58.024 56.287 0.272 0.000 0.933 235 K CB -0.433 32.261 32.500 0.323 0.000 0.714 235 K HN 0.417 nan 8.250 nan 0.000 0.438 236 W N 1.470 122.871 121.300 0.169 0.000 2.358 236 W HA -0.167 4.494 4.660 0.002 0.000 0.303 236 W C 1.597 178.228 176.519 0.186 0.000 1.208 236 W CA 1.882 59.360 57.345 0.222 0.000 1.274 236 W CB -0.378 29.325 29.460 0.406 0.000 1.138 236 W HN 0.192 nan 8.180 nan 0.000 0.515 237 D N 0.126 120.747 120.400 0.369 0.000 2.178 237 D HA -0.185 4.456 4.640 0.002 0.000 0.201 237 D C 1.848 178.154 176.300 0.010 0.000 0.980 237 D CA 1.574 55.648 54.000 0.124 0.000 0.842 237 D CB -0.159 40.937 40.800 0.493 0.000 0.948 237 D HN 0.378 nan 8.370 nan 0.000 0.472 238 E N 0.145 120.400 120.200 0.091 0.000 2.031 238 E HA -0.154 4.197 4.350 0.002 0.000 0.193 238 E C 2.107 178.682 176.600 -0.041 0.000 0.994 238 E CA 0.917 57.352 56.400 0.058 0.000 0.800 238 E CB -0.035 29.749 29.700 0.140 0.000 0.752 238 E HN 0.408 nan 8.360 nan 0.000 0.447 239 E N 0.191 120.348 120.200 -0.071 0.000 2.072 239 E HA -0.194 4.157 4.350 0.002 0.000 0.191 239 E C 2.177 178.617 176.600 -0.265 0.000 0.985 239 E CA 0.872 57.197 56.400 -0.126 0.000 0.801 239 E CB 0.030 29.684 29.700 -0.076 0.000 0.750 239 E HN -0.051 nan 8.360 nan 0.000 0.452 240 R N -0.401 119.786 120.500 -0.520 0.000 2.128 240 R HA 0.049 4.390 4.340 0.002 0.000 0.211 240 R C 1.137 177.098 176.300 -0.564 0.000 1.067 240 R CA 0.997 56.718 56.100 -0.630 0.000 1.010 240 R CB 0.098 29.696 30.300 -1.170 0.000 0.922 240 R HN 0.081 nan 8.270 nan 0.000 0.457 241 F N -1.230 118.470 119.950 -0.418 0.000 2.706 241 F HA 0.357 4.885 4.527 0.002 0.000 0.308 241 F C 1.140 176.836 175.800 -0.174 0.000 1.095 241 F CA 0.342 58.212 58.000 -0.216 0.000 1.244 241 F CB 1.379 40.266 39.000 -0.189 0.000 1.063 241 F HN 0.233 nan 8.300 nan 0.000 0.582 242 G N 1.785 110.552 108.800 -0.055 0.000 2.176 242 G HA2 -0.290 3.671 3.960 0.002 0.000 0.252 242 G HA3 -0.290 3.671 3.960 0.002 0.000 0.252 242 G C -0.208 174.615 174.900 -0.128 0.000 1.024 242 G CA -0.100 44.957 45.100 -0.071 0.000 0.755 242 G HN 0.266 nan 8.290 nan 0.000 0.507 243 L N 0.145 121.291 121.223 -0.129 0.000 2.313 243 L HA 0.576 4.917 4.340 0.002 0.000 0.283 243 L C 0.349 177.238 176.870 0.031 0.000 1.013 243 L CA -0.775 53.879 54.840 -0.310 0.000 0.816 243 L CB 1.502 43.222 42.059 -0.566 0.000 1.236 243 L HN 0.182 nan 8.230 nan 0.000 0.419 244 E N 1.459 121.742 120.200 0.138 0.000 2.212 244 E HA 0.267 4.618 4.350 0.002 0.000 0.270 244 E C -1.265 175.669 176.600 0.556 0.000 0.956 244 E CA -0.896 55.715 56.400 0.351 0.000 0.825 244 E CB 2.294 32.157 29.700 0.272 0.000 1.167 244 E HN 0.305 nan 8.360 nan 0.000 0.400 245 Y N 2.379 122.919 120.300 0.400 0.000 2.426 245 Y HA -0.050 4.501 4.550 0.001 0.000 0.344 245 Y C 0.789 176.839 175.900 0.251 0.000 1.256 245 Y CA 0.360 58.665 58.100 0.341 0.000 1.451 245 Y CB 0.612 39.292 38.460 0.367 0.000 1.342 245 Y HN 0.540 nan 8.280 nan 0.000 0.600 246 D N 2.060 122.111 120.400 -0.583 0.000 2.500 246 D HA 0.150 4.791 4.640 0.002 0.000 0.217 246 D C -0.365 175.780 176.300 -0.257 0.000 1.159 246 D CA 0.239 54.065 54.000 -0.290 0.000 0.828 246 D CB -0.145 40.429 40.800 -0.377 0.000 1.039 246 D HN 0.406 nan 8.370 nan 0.000 0.512 247 L N -0.306 120.555 121.223 -0.604 0.000 2.230 247 L HA 0.394 4.735 4.340 0.002 0.000 0.255 247 L C 0.078 177.019 176.870 0.118 0.000 1.039 247 L CA -0.782 53.950 54.840 -0.180 0.000 0.846 247 L CB 1.964 43.918 42.059 -0.174 0.000 1.419 247 L HN -0.335 nan 8.230 nan 0.000 0.435 248 D N -0.286 120.235 120.400 0.201 0.000 2.327 248 D HA 0.172 4.813 4.640 0.002 0.000 0.205 248 D C -0.649 175.826 176.300 0.291 0.000 0.989 248 D CA 0.562 54.703 54.000 0.235 0.000 0.873 248 D CB 0.400 41.295 40.800 0.159 0.000 0.955 248 D HN 0.125 nan 8.370 nan 0.000 0.515 249 I N -1.315 119.458 120.570 0.338 0.000 2.689 249 I HA 0.373 4.543 4.170 0.002 0.000 0.299 249 I C -1.295 175.047 176.117 0.375 0.000 1.059 249 I CA -1.673 59.814 61.300 0.312 0.000 1.055 249 I CB 1.172 39.331 38.000 0.265 0.000 1.243 249 I HN -0.204 nan 8.210 nan 0.000 0.425 250 Y N 4.873 125.238 120.300 0.109 0.000 2.332 250 Y HA 0.730 5.281 4.550 0.001 0.000 0.326 250 Y C -0.984 174.892 175.900 -0.039 0.000 0.978 250 Y CA -0.671 57.409 58.100 -0.033 0.000 1.205 250 Y CB 1.495 39.760 38.460 -0.325 0.000 1.131 250 Y HN 0.544 nan 8.280 nan 0.000 0.462 251 M N 6.856 126.386 119.600 -0.116 0.000 2.404 251 M HA 0.541 5.022 4.480 0.002 0.000 0.338 251 M C -1.143 175.096 176.300 -0.102 0.000 1.150 251 M CA -0.479 54.806 55.300 -0.026 0.000 1.016 251 M CB 1.867 34.416 32.600 -0.085 0.000 1.672 251 M HN 0.478 nan 8.290 nan 0.000 0.448 252 I N 2.296 122.839 120.570 -0.044 0.000 2.498 252 I HA 0.518 4.689 4.170 0.002 0.000 0.290 252 I C -1.019 175.006 176.117 -0.153 0.000 1.032 252 I CA -1.026 60.182 61.300 -0.154 0.000 1.073 252 I CB 2.286 40.092 38.000 -0.324 0.000 1.251 252 I HN 0.331 nan 8.210 nan 0.000 0.426 253 V N 4.860 124.652 119.914 -0.203 0.000 2.448 253 V HA 0.587 4.708 4.120 0.002 0.000 0.295 253 V C 0.206 176.206 176.094 -0.157 0.000 1.025 253 V CA -0.690 61.457 62.300 -0.255 0.000 0.859 253 V CB 1.658 33.222 31.823 -0.431 0.000 0.988 253 V HN 0.811 nan 8.190 nan 0.000 0.431 254 A N 5.083 127.838 122.820 -0.108 0.000 2.269 254 A HA 0.770 5.091 4.320 0.002 0.000 0.302 254 A C -0.202 177.399 177.584 0.027 0.000 1.266 254 A CA -0.377 51.643 52.037 -0.029 0.000 0.894 254 A CB 0.673 19.663 19.000 -0.017 0.000 1.147 254 A HN 1.346 nan 8.150 nan 0.000 0.537 255 V N 0.097 120.019 119.914 0.014 0.000 2.864 255 V HA 0.558 4.679 4.120 0.002 0.000 0.314 255 V C -0.022 176.143 176.094 0.119 0.000 1.073 255 V CA -0.690 61.680 62.300 0.117 0.000 0.956 255 V CB 1.964 33.875 31.823 0.146 0.000 1.023 255 V HN 0.659 nan 8.190 nan 0.000 0.435 256 D N 1.347 121.842 120.400 0.158 0.000 2.289 256 D HA 0.142 4.783 4.640 0.002 0.000 0.207 256 D C 0.074 176.279 176.300 -0.157 0.000 0.966 256 D CA 1.435 55.415 54.000 -0.034 0.000 0.868 256 D CB 0.038 40.749 40.800 -0.148 0.000 0.943 256 D HN 0.595 nan 8.370 nan 0.000 0.514 257 F N 0.545 120.619 119.950 0.207 0.000 2.308 257 F HA 0.352 4.880 4.527 0.002 0.000 0.370 257 F C -0.381 175.651 175.800 0.388 0.000 1.100 257 F CA -0.884 57.253 58.000 0.228 0.000 1.108 257 F CB 0.669 39.806 39.000 0.227 0.000 1.293 257 F HN -0.330 nan 8.300 nan 0.000 0.478 258 F N 2.771 122.806 119.950 0.142 0.000 2.596 258 F HA 0.382 4.910 4.527 0.001 0.000 0.311 258 F C 0.333 176.127 175.800 -0.011 0.000 1.116 258 F CA -0.862 57.203 58.000 0.109 0.000 0.957 258 F CB 1.477 40.546 39.000 0.115 0.000 1.250 258 F HN 0.172 nan 8.300 nan 0.000 0.444 259 N N 3.347 121.764 118.700 -0.471 0.000 2.368 259 N HA 0.073 4.814 4.740 0.002 0.000 0.176 259 N C 0.813 176.149 175.510 -0.291 0.000 1.021 259 N CA 1.072 53.917 53.050 -0.342 0.000 0.888 259 N CB 0.158 38.411 38.487 -0.390 0.000 0.995 259 N HN 0.541 nan 8.380 nan 0.000 0.437 260 M N -0.337 118.996 119.600 -0.446 0.000 2.771 260 M HA 0.329 4.810 4.480 0.002 0.000 0.341 260 M C 0.935 177.287 176.300 0.087 0.000 1.226 260 M CA -0.266 54.912 55.300 -0.202 0.000 0.955 260 M CB 0.581 33.011 32.600 -0.283 0.000 1.318 260 M HN 0.121 nan 8.290 nan 0.000 0.514 261 G N 1.825 110.796 108.800 0.286 0.000 5.426 261 G HA2 -0.236 3.725 3.960 0.002 0.000 0.297 261 G HA3 -0.236 3.725 3.960 0.002 0.000 0.297 261 G C 0.016 175.090 174.900 0.291 0.000 1.422 261 G CA 0.207 45.528 45.100 0.368 0.000 0.938 261 G HN 0.921 nan 8.290 nan 0.000 0.754 262 A N -1.397 121.478 122.820 0.091 0.000 2.601 262 A HA 0.915 5.235 4.320 0.002 0.000 0.291 262 A C -1.030 176.505 177.584 -0.083 0.000 1.075 262 A CA 0.668 52.509 52.037 -0.326 0.000 0.671 262 A CB 1.630 19.874 19.000 -1.260 0.000 1.277 262 A HN 2.077 nan 8.150 nan 0.000 0.417 263 M N 1.194 120.723 119.600 -0.120 0.000 2.386 263 M HA 0.454 4.935 4.480 0.002 0.000 0.293 263 M C 0.000 176.329 176.300 0.048 0.000 1.120 263 M CA -0.285 55.065 55.300 0.083 0.000 0.909 263 M CB 2.024 34.786 32.600 0.270 0.000 1.661 263 M HN 0.724 nan 8.290 nan 0.000 0.452 264 E N 2.521 122.759 120.200 0.064 0.000 2.330 264 E HA 0.064 4.415 4.350 0.002 0.000 0.210 264 E C -0.989 175.582 176.600 -0.049 0.000 1.256 264 E CA -0.098 56.329 56.400 0.045 0.000 1.346 264 E CB -0.918 28.808 29.700 0.044 0.000 1.308 264 E HN 0.684 nan 8.360 nan 0.000 0.441 265 N N 2.212 120.862 118.700 -0.083 0.000 2.412 265 N HA -0.067 4.674 4.740 0.002 0.000 0.254 265 N C 0.091 175.456 175.510 -0.241 0.000 1.232 265 N CA 0.218 53.152 53.050 -0.192 0.000 0.880 265 N CB 0.582 38.927 38.487 -0.236 0.000 1.076 265 N HN 0.128 nan 8.380 nan 0.000 0.458 266 K N 1.256 121.490 120.400 -0.276 0.000 2.437 266 K HA 0.036 4.357 4.320 0.002 0.000 0.277 266 K C 1.151 177.595 176.600 -0.260 0.000 1.073 266 K CA 0.935 57.068 56.287 -0.257 0.000 1.105 266 K CB -0.639 31.707 32.500 -0.257 0.000 0.881 266 K HN 0.730 nan 8.250 nan 0.000 0.475 267 G N 3.095 111.730 108.800 -0.275 0.000 2.196 267 G HA2 -0.277 3.684 3.960 0.002 0.000 0.268 267 G HA3 -0.277 3.684 3.960 0.002 0.000 0.268 267 G C -0.155 174.494 174.900 -0.419 0.000 0.975 267 G CA 0.576 45.497 45.100 -0.298 0.000 0.648 267 G HN 0.670 nan 8.290 nan 0.000 0.538 268 L N 1.114 122.090 121.223 -0.412 0.000 2.448 268 L HA 0.456 4.797 4.340 0.002 0.000 0.257 268 L C -0.136 176.561 176.870 -0.289 0.000 1.504 268 L CA -1.030 53.575 54.840 -0.391 0.000 0.852 268 L CB -0.145 41.633 42.059 -0.468 0.000 1.051 268 L HN 0.250 nan 8.230 nan 0.000 0.518 269 N N 3.210 121.788 118.700 -0.203 0.000 2.492 269 N HA 0.415 5.156 4.740 0.002 0.000 0.260 269 N C -0.714 174.820 175.510 0.040 0.000 1.215 269 N CA -0.061 53.005 53.050 0.026 0.000 0.923 269 N CB 1.090 39.784 38.487 0.345 0.000 1.092 269 N HN 0.416 nan 8.380 nan 0.000 0.448 270 I N 2.394 122.981 120.570 0.029 0.000 2.404 270 I HA 0.356 4.527 4.170 0.002 0.000 0.293 270 I C -0.954 175.019 176.117 -0.241 0.000 0.992 270 I CA -0.512 60.720 61.300 -0.114 0.000 1.149 270 I CB 0.854 38.745 38.000 -0.180 0.000 1.315 270 I HN 0.294 nan 8.210 nan 0.000 0.446 271 F N 4.142 123.773 119.950 -0.531 0.000 2.540 271 F HA 0.335 4.863 4.527 0.001 0.000 0.317 271 F C 0.495 176.010 175.800 -0.474 0.000 1.104 271 F CA -1.033 56.712 58.000 -0.424 0.000 0.913 271 F CB 1.392 40.302 39.000 -0.150 0.000 1.170 271 F HN 0.398 nan 8.300 nan 0.000 0.450 272 N N 1.184 119.750 118.700 -0.223 0.000 2.412 272 N HA -0.103 4.638 4.740 0.002 0.000 0.258 272 N C 1.168 176.705 175.510 0.045 0.000 1.236 272 N CA 0.757 53.805 53.050 -0.004 0.000 0.882 272 N CB 1.117 39.673 38.487 0.116 0.000 1.066 272 N HN 0.741 nan 8.380 nan 0.000 0.465 273 S N 3.315 119.020 115.700 0.007 0.000 2.469 273 S HA -0.151 4.320 4.470 0.002 0.000 0.238 273 S C 1.626 176.208 174.600 -0.029 0.000 0.998 273 S CA 0.865 59.071 58.200 0.010 0.000 0.957 273 S CB -0.072 63.129 63.200 0.001 0.000 0.764 273 S HN 0.720 nan 8.310 nan 0.000 0.514 274 K N 0.087 120.416 120.400 -0.119 0.000 2.152 274 K HA -0.114 4.207 4.320 0.002 0.000 0.206 274 K C 0.303 176.772 176.600 -0.219 0.000 1.048 274 K CA 1.304 57.441 56.287 -0.250 0.000 0.933 274 K CB -0.193 32.032 32.500 -0.459 0.000 0.721 274 K HN 0.543 nan 8.250 nan 0.000 0.447 275 Y N -0.600 119.759 120.300 0.099 0.000 2.683 275 Y HA 0.135 4.686 4.550 0.002 0.000 0.297 275 Y C 0.819 176.837 175.900 0.197 0.000 1.147 275 Y CA -0.404 57.795 58.100 0.165 0.000 1.274 275 Y CB 0.725 39.315 38.460 0.217 0.000 1.143 275 Y HN -0.148 nan 8.280 nan 0.000 0.527 276 V N -1.774 118.249 119.914 0.182 0.000 3.141 276 V HA 0.123 4.244 4.120 0.002 0.000 0.225 276 V C 0.421 176.524 176.094 0.014 0.000 1.352 276 V CA -0.075 62.250 62.300 0.041 0.000 1.316 276 V CB 0.502 32.295 31.823 -0.049 0.000 1.126 276 V HN -0.048 nan 8.190 nan 0.000 0.493 277 L N 1.860 123.075 121.223 -0.012 0.000 2.281 277 L HA 0.737 5.078 4.340 0.002 0.000 0.285 277 L C -0.173 176.641 176.870 -0.093 0.000 1.074 277 L CA 0.019 54.834 54.840 -0.040 0.000 0.817 277 L CB 1.015 43.047 42.059 -0.045 0.000 1.168 277 L HN 0.314 nan 8.230 nan 0.000 0.434 278 A N 5.010 127.765 122.820 -0.108 0.000 2.455 278 A HA 0.839 5.160 4.320 0.002 0.000 0.300 278 A C -0.889 176.625 177.584 -0.118 0.000 1.040 278 A CA -0.650 51.220 52.037 -0.278 0.000 0.697 278 A CB 1.875 20.445 19.000 -0.716 0.000 1.265 278 A HN 0.745 nan 8.150 nan 0.000 0.407 279 R N 0.352 120.800 120.500 -0.086 0.000 2.698 279 R HA 0.465 4.806 4.340 0.002 0.000 0.275 279 R C 1.170 177.502 176.300 0.054 0.000 1.001 279 R CA 0.194 56.312 56.100 0.031 0.000 0.896 279 R CB 1.878 32.179 30.300 0.002 0.000 1.218 279 R HN 0.921 nan 8.270 nan 0.000 0.462 280 T N -2.178 112.426 114.554 0.083 0.000 2.929 280 T HA -0.151 4.200 4.350 0.002 0.000 0.271 280 T C 1.000 175.596 174.700 -0.173 0.000 1.085 280 T CA 1.597 63.664 62.100 -0.054 0.000 1.125 280 T CB -0.151 68.602 68.868 -0.192 0.000 0.874 280 T HN 0.705 nan 8.240 nan 0.000 0.494 281 D N 1.349 121.694 120.400 -0.093 0.000 2.360 281 D HA -0.014 4.627 4.640 0.002 0.000 0.210 281 D C 1.751 177.941 176.300 -0.183 0.000 1.047 281 D CA 0.939 54.894 54.000 -0.074 0.000 0.854 281 D CB -0.398 40.439 40.800 0.062 0.000 0.936 281 D HN 0.621 nan 8.370 nan 0.000 0.514 282 T N -3.406 111.000 114.554 -0.246 0.000 2.971 282 T HA 0.562 4.913 4.350 0.002 0.000 0.252 282 T C 0.703 175.211 174.700 -0.320 0.000 1.022 282 T CA 0.110 61.938 62.100 -0.452 0.000 0.980 282 T CB 0.497 69.141 68.868 -0.373 0.000 1.044 282 T HN 0.232 nan 8.240 nan 0.000 0.501 283 A N 1.744 124.444 122.820 -0.199 0.000 2.435 283 A HA 0.748 5.069 4.320 0.002 0.000 0.304 283 A C 0.162 177.734 177.584 -0.021 0.000 1.064 283 A CA -0.661 51.277 52.037 -0.165 0.000 0.727 283 A CB 1.446 20.251 19.000 -0.325 0.000 1.284 283 A HN 0.451 nan 8.150 nan 0.000 0.415 284 T N -1.116 113.445 114.554 0.011 0.000 2.881 284 T HA 0.345 4.696 4.350 0.002 0.000 0.278 284 T C 0.343 175.185 174.700 0.237 0.000 0.982 284 T CA -0.134 62.020 62.100 0.090 0.000 0.989 284 T CB 0.718 69.615 68.868 0.049 0.000 1.058 284 T HN 0.467 nan 8.240 nan 0.000 0.529 285 D N 0.210 120.730 120.400 0.201 0.000 2.157 285 D HA -0.182 4.459 4.640 0.002 0.000 0.191 285 D C 1.844 178.228 176.300 0.140 0.000 1.004 285 D CA 1.513 55.598 54.000 0.142 0.000 0.854 285 D CB -0.125 40.700 40.800 0.042 0.000 0.936 285 D HN 0.718 nan 8.370 nan 0.000 0.446 286 K N 0.770 121.232 120.400 0.104 0.000 2.097 286 K HA -0.159 4.162 4.320 0.002 0.000 0.206 286 K C 1.315 177.984 176.600 0.115 0.000 1.049 286 K CA 1.262 57.605 56.287 0.094 0.000 0.933 286 K CB 0.049 32.587 32.500 0.064 0.000 0.717 286 K HN -0.022 nan 8.250 nan 0.000 0.442 287 D N 0.240 120.690 120.400 0.084 0.000 2.104 287 D HA -0.191 4.450 4.640 0.002 0.000 0.194 287 D C 1.935 178.275 176.300 0.066 0.000 0.994 287 D CA 1.347 55.371 54.000 0.041 0.000 0.830 287 D CB -0.597 40.153 40.800 -0.084 0.000 0.959 287 D HN 0.291 nan 8.370 nan 0.000 0.452 288 Y N 1.069 121.389 120.300 0.032 0.000 2.081 288 Y HA -0.156 4.395 4.550 0.001 0.000 0.280 288 Y C 2.613 178.709 175.900 0.328 0.000 1.163 288 Y CA 0.931 59.044 58.100 0.021 0.000 1.135 288 Y CB -0.530 37.664 38.460 -0.444 0.000 0.970 288 Y HN -0.051 nan 8.280 nan 0.000 0.498 289 L N -0.635 120.790 121.223 0.337 0.000 2.141 289 L HA -0.211 4.130 4.340 0.002 0.000 0.209 289 L C 1.720 178.736 176.870 0.243 0.000 1.094 289 L CA 1.104 56.114 54.840 0.283 0.000 0.763 289 L CB -0.453 41.706 42.059 0.166 0.000 0.908 289 L HN 0.231 nan 8.230 nan 0.000 0.437 290 D N 0.250 120.788 120.400 0.230 0.000 2.162 290 D HA -0.071 4.570 4.640 0.002 0.000 0.203 290 D C 2.303 178.748 176.300 0.243 0.000 0.967 290 D CA 1.004 55.132 54.000 0.214 0.000 0.840 290 D CB 0.066 41.040 40.800 0.290 0.000 0.972 290 D HN 0.271 nan 8.370 nan 0.000 0.482 291 I N 1.164 121.933 120.570 0.332 0.000 2.208 291 I HA -0.241 3.930 4.170 0.002 0.000 0.245 291 I C 2.454 178.693 176.117 0.202 0.000 1.097 291 I CA 1.141 62.632 61.300 0.318 0.000 1.363 291 I CB -0.129 38.081 38.000 0.350 0.000 1.051 291 I HN 0.016 nan 8.210 nan 0.000 0.413 292 E N 1.398 121.752 120.200 0.257 0.000 2.051 292 E HA -0.295 4.055 4.350 0.002 0.000 0.192 292 E C 2.411 179.142 176.600 0.218 0.000 0.991 292 E CA 1.241 57.727 56.400 0.144 0.000 0.799 292 E CB -0.087 29.745 29.700 0.220 0.000 0.748 292 E HN 0.355 nan 8.360 nan 0.000 0.449 293 R N 0.298 120.910 120.500 0.187 0.000 2.083 293 R HA -0.134 4.207 4.340 0.002 0.000 0.237 293 R C 2.188 178.546 176.300 0.096 0.000 1.137 293 R CA 1.785 57.988 56.100 0.172 0.000 0.951 293 R CB -0.244 30.111 30.300 0.091 0.000 0.851 293 R HN 0.141 nan 8.270 nan 0.000 0.434 294 V N 1.313 121.222 119.914 -0.008 0.000 2.407 294 V HA -0.183 3.938 4.120 0.002 0.000 0.245 294 V C 2.488 178.642 176.094 0.100 0.000 1.041 294 V CA 1.199 63.437 62.300 -0.104 0.000 1.040 294 V CB -0.324 31.194 31.823 -0.508 0.000 0.671 294 V HN 0.321 nan 8.190 nan 0.000 0.455 295 I N 1.179 121.860 120.570 0.185 0.000 2.163 295 I HA -0.212 3.959 4.170 0.002 0.000 0.243 295 I C 2.597 178.618 176.117 -0.160 0.000 1.085 295 I CA 2.153 63.526 61.300 0.121 0.000 1.347 295 I CB -1.681 36.253 38.000 -0.110 0.000 1.044 295 I HN 0.412 nan 8.210 nan 0.000 0.408 296 G N -0.182 108.428 108.800 -0.316 0.000 2.480 296 G HA2 -0.342 3.619 3.960 0.002 0.000 0.216 296 G HA3 -0.342 3.619 3.960 0.002 0.000 0.216 296 G C 1.585 175.862 174.900 -1.040 0.000 1.200 296 G CA 1.378 45.870 45.100 -1.015 0.000 0.782 296 G HN 0.438 nan 8.290 nan 0.000 0.554 297 H N 0.769 119.618 119.070 -0.369 0.000 2.292 297 H HA -0.136 4.421 4.556 0.002 0.000 0.292 297 H C 2.553 177.799 175.328 -0.136 0.000 1.100 297 H CA 2.393 58.361 56.048 -0.132 0.000 1.238 297 H CB 0.150 29.895 29.762 -0.029 0.000 1.355 297 H HN 0.274 nan 8.280 nan 0.000 0.484 298 E N -0.463 119.793 120.200 0.094 0.000 2.106 298 E HA -0.178 4.173 4.350 0.002 0.000 0.192 298 E C 2.135 178.806 176.600 0.119 0.000 0.984 298 E CA 1.034 57.557 56.400 0.206 0.000 0.806 298 E CB -0.807 29.056 29.700 0.272 0.000 0.750 298 E HN 0.641 nan 8.360 nan 0.000 0.458 299 Y N 0.894 121.091 120.300 -0.172 0.000 2.181 299 Y HA -0.230 4.321 4.550 0.001 0.000 0.288 299 Y C 1.887 177.702 175.900 -0.142 0.000 1.146 299 Y CA 1.363 59.329 58.100 -0.224 0.000 1.164 299 Y CB -0.389 37.716 38.460 -0.592 0.000 0.982 299 Y HN -0.106 nan 8.280 nan 0.000 0.515 300 F N -0.602 119.255 119.950 -0.155 0.000 2.333 300 F HA -0.193 4.335 4.527 0.002 0.000 0.300 300 F C 2.446 178.127 175.800 -0.199 0.000 1.083 300 F CA 1.206 59.074 58.000 -0.220 0.000 1.395 300 F CB -1.276 37.614 39.000 -0.184 0.000 1.056 300 F HN 0.241 nan 8.300 nan 0.000 0.529 301 H N -0.203 118.835 119.070 -0.054 0.000 2.489 301 H HA -0.131 4.426 4.556 0.002 0.000 0.293 301 H C 2.014 177.302 175.328 -0.067 0.000 1.066 301 H CA 1.112 57.141 56.048 -0.032 0.000 1.305 301 H CB -0.518 29.233 29.762 -0.019 0.000 1.386 301 H HN 0.247 nan 8.280 nan 0.000 0.551 302 N N -0.063 118.605 118.700 -0.054 0.000 2.137 302 N HA -0.194 4.547 4.740 0.002 0.000 0.190 302 N C 1.540 176.805 175.510 -0.408 0.000 1.017 302 N CA 1.560 54.472 53.050 -0.231 0.000 0.859 302 N CB -0.116 38.204 38.487 -0.279 0.000 1.002 302 N HN 0.283 nan 8.380 nan 0.000 0.428 303 W N -0.547 120.681 121.300 -0.121 0.000 2.678 303 W HA 0.232 4.894 4.660 0.002 0.000 0.282 303 W C 0.670 177.283 176.519 0.157 0.000 1.137 303 W CA 0.694 57.966 57.345 -0.122 0.000 1.515 303 W CB -0.521 28.752 29.460 -0.312 0.000 1.101 303 W HN -0.056 nan 8.180 nan 0.000 0.564 304 T N -1.176 113.640 114.554 0.437 0.000 3.477 304 T HA 0.644 4.994 4.350 0.002 0.000 0.347 304 T C 0.584 175.512 174.700 0.380 0.000 1.567 304 T CA 0.242 62.605 62.100 0.438 0.000 1.169 304 T CB 0.127 69.181 68.868 0.310 0.000 1.196 304 T HN 0.332 nan 8.240 nan 0.000 0.768 305 G N 3.430 112.424 108.800 0.323 0.000 4.077 305 G HA2 -0.186 3.774 3.960 0.002 0.000 0.199 305 G HA3 -0.186 3.774 3.960 0.002 0.000 0.199 305 G C 0.830 175.804 174.900 0.124 0.000 1.302 305 G CA -0.107 45.159 45.100 0.277 0.000 0.918 305 G HN 0.494 nan 8.290 nan 0.000 0.369 306 N N 0.577 119.279 118.700 0.003 0.000 2.414 306 N HA 0.149 4.890 4.740 0.002 0.000 0.189 306 N C 2.027 177.399 175.510 -0.231 0.000 1.039 306 N CA 0.694 53.647 53.050 -0.162 0.000 0.889 306 N CB -0.281 38.052 38.487 -0.256 0.000 1.085 306 N HN 0.131 nan 8.380 nan 0.000 0.442 307 R N 0.561 120.846 120.500 -0.358 0.000 2.115 307 R HA 0.122 4.463 4.340 0.002 0.000 0.230 307 R C -0.098 176.155 176.300 -0.079 0.000 1.111 307 R CA 0.426 56.289 56.100 -0.395 0.000 0.976 307 R CB -0.138 29.630 30.300 -0.886 0.000 0.870 307 R HN 0.085 nan 8.270 nan 0.000 0.445 308 V N 0.892 120.842 119.914 0.060 0.000 2.443 308 V HA 0.208 4.328 4.120 0.002 0.000 0.293 308 V C 0.239 176.405 176.094 0.121 0.000 1.021 308 V CA -0.496 61.868 62.300 0.106 0.000 0.848 308 V CB 1.996 33.892 31.823 0.122 0.000 0.998 308 V HN 0.083 nan 8.190 nan 0.000 0.424 309 T N 3.497 118.096 114.554 0.075 0.000 2.819 309 T HA 0.443 4.794 4.350 0.002 0.000 0.271 309 T C -0.305 174.420 174.700 0.042 0.000 0.986 309 T CA -0.295 61.860 62.100 0.092 0.000 0.989 309 T CB 1.436 70.358 68.868 0.090 0.000 1.396 309 T HN 0.677 nan 8.240 nan 0.000 0.597 310 C N 2.123 121.406 119.300 -0.028 0.000 2.319 310 C HA 0.512 4.973 4.460 0.002 0.000 0.335 310 C C 1.979 176.837 174.990 -0.219 0.000 1.274 310 C CA -0.668 58.260 59.018 -0.150 0.000 1.806 310 C CB 0.571 28.126 27.740 -0.308 0.000 2.329 310 C HN 1.028 nan 8.230 nan 0.000 0.524 311 R N 1.217 121.596 120.500 -0.201 0.000 2.115 311 R HA -0.069 4.272 4.340 0.002 0.000 0.230 311 R C -0.064 176.072 176.300 -0.273 0.000 1.111 311 R CA 1.842 57.805 56.100 -0.228 0.000 0.976 311 R CB 0.159 30.270 30.300 -0.314 0.000 0.870 311 R HN 1.001 nan 8.270 nan 0.000 0.445 312 D N -4.851 115.357 120.400 -0.321 0.000 2.639 312 D HA 0.056 4.697 4.640 0.002 0.000 0.271 312 D C -0.345 175.731 176.300 -0.373 0.000 1.254 312 D CA -0.802 53.029 54.000 -0.281 0.000 0.810 312 D CB -0.448 40.372 40.800 0.032 0.000 1.351 312 D HN -0.059 nan 8.370 nan 0.000 0.427 313 W N -0.858 120.356 121.300 -0.144 0.000 2.525 313 W HA 0.091 4.752 4.660 0.002 0.000 0.259 313 W C 1.145 177.477 176.519 -0.312 0.000 1.253 313 W CA -0.334 56.849 57.345 -0.269 0.000 1.262 313 W CB -0.236 29.021 29.460 -0.339 0.000 1.122 313 W HN 0.307 nan 8.180 nan 0.000 0.607 314 F N 0.306 120.305 119.950 0.083 0.000 2.451 314 F HA -0.170 4.358 4.527 0.001 0.000 0.299 314 F C 2.090 177.905 175.800 0.025 0.000 1.101 314 F CA 0.960 58.969 58.000 0.015 0.000 1.436 314 F CB -0.641 38.352 39.000 -0.011 0.000 1.074 314 F HN -0.080 nan 8.300 nan 0.000 0.553 315 Q N 0.382 120.261 119.800 0.132 0.000 2.253 315 Q HA 0.066 4.407 4.340 0.002 0.000 0.210 315 Q C 2.023 178.059 176.000 0.060 0.000 0.907 315 Q CA 0.042 55.888 55.803 0.071 0.000 0.948 315 Q CB -0.400 28.329 28.738 -0.015 0.000 1.033 315 Q HN 0.407 nan 8.270 nan 0.000 0.471 316 L N 0.627 121.904 121.223 0.089 0.000 2.081 316 L HA -0.192 4.149 4.340 0.002 0.000 0.212 316 L C 2.127 179.003 176.870 0.008 0.000 1.080 316 L CA 1.875 56.757 54.840 0.070 0.000 0.754 316 L CB -0.753 41.294 42.059 -0.019 0.000 0.893 316 L HN 0.125 nan 8.230 nan 0.000 0.433 317 S N -1.360 114.358 115.700 0.031 0.000 2.447 317 S HA -0.121 4.350 4.470 0.002 0.000 0.233 317 S C 1.896 176.492 174.600 -0.008 0.000 1.006 317 S CA 1.015 59.220 58.200 0.008 0.000 0.957 317 S CB -0.482 62.760 63.200 0.071 0.000 0.773 317 S HN 0.473 nan 8.310 nan 0.000 0.507 318 L N 2.654 123.885 121.223 0.013 0.000 2.013 318 L HA -0.164 4.177 4.340 0.002 0.000 0.212 318 L C 2.155 178.972 176.870 -0.087 0.000 1.073 318 L CA 2.410 57.208 54.840 -0.069 0.000 0.753 318 L CB -0.656 41.394 42.059 -0.015 0.000 0.890 318 L HN 0.439 nan 8.230 nan 0.000 0.432 319 K N -2.375 118.037 120.400 0.019 0.000 2.211 319 K HA 0.003 4.323 4.320 0.002 0.000 0.201 319 K C 1.706 178.347 176.600 0.067 0.000 1.052 319 K CA 0.757 57.108 56.287 0.106 0.000 0.973 319 K CB -0.323 32.322 32.500 0.242 0.000 0.766 319 K HN 0.210 nan 8.250 nan 0.000 0.466 320 E N 1.416 121.593 120.200 -0.038 0.000 2.076 320 E HA -0.037 4.314 4.350 0.002 0.000 0.190 320 E C 2.297 178.803 176.600 -0.157 0.000 0.979 320 E CA 1.369 57.636 56.400 -0.222 0.000 0.807 320 E CB -0.494 28.749 29.700 -0.762 0.000 0.761 320 E HN 0.525 nan 8.360 nan 0.000 0.454 321 G N 1.729 110.464 108.800 -0.108 0.000 2.421 321 G HA2 -0.238 3.723 3.960 0.002 0.000 0.216 321 G HA3 -0.238 3.723 3.960 0.002 0.000 0.216 321 G C 1.593 176.501 174.900 0.013 0.000 1.171 321 G CA 0.836 45.918 45.100 -0.030 0.000 0.775 321 G HN 0.228 nan 8.290 nan 0.000 0.543 322 L N 0.844 122.022 121.223 -0.075 0.000 2.093 322 L HA 0.076 4.417 4.340 0.002 0.000 0.208 322 L C 2.758 179.663 176.870 0.058 0.000 1.085 322 L CA 2.387 57.201 54.840 -0.044 0.000 0.755 322 L CB -0.834 41.070 42.059 -0.258 0.000 0.904 322 L HN 0.173 nan 8.230 nan 0.000 0.435 323 T N -1.522 112.990 114.554 -0.069 0.000 2.942 323 T HA -0.055 4.295 4.350 0.002 0.000 0.265 323 T C 1.978 176.658 174.700 -0.032 0.000 1.062 323 T CA 1.203 63.168 62.100 -0.224 0.000 1.139 323 T CB -0.126 68.249 68.868 -0.821 0.000 0.883 323 T HN 0.153 nan 8.240 nan 0.000 0.468 324 V N 1.452 121.457 119.914 0.152 0.000 2.343 324 V HA -0.128 3.993 4.120 0.002 0.000 0.247 324 V C 1.992 178.215 176.094 0.216 0.000 1.051 324 V CA 1.583 64.058 62.300 0.292 0.000 1.036 324 V CB -0.711 31.286 31.823 0.291 0.000 0.654 324 V HN 0.470 nan 8.190 nan 0.000 0.451 325 F N 1.322 121.312 119.950 0.066 0.000 2.134 325 F HA -0.174 4.354 4.527 0.001 0.000 0.299 325 F C 2.513 178.354 175.800 0.069 0.000 1.097 325 F CA 1.746 59.778 58.000 0.052 0.000 1.264 325 F CB -0.277 38.758 39.000 0.057 0.000 1.001 325 F HN -0.038 nan 8.300 nan 0.000 0.479 326 R N 0.425 120.955 120.500 0.050 0.000 2.073 326 R HA -0.184 4.157 4.340 0.002 0.000 0.234 326 R C 2.044 178.245 176.300 -0.165 0.000 1.134 326 R CA 1.850 57.883 56.100 -0.111 0.000 0.952 326 R CB -0.902 29.263 30.300 -0.226 0.000 0.850 326 R HN 0.547 nan 8.270 nan 0.000 0.433 327 D N 0.104 120.586 120.400 0.137 0.000 2.178 327 D HA -0.204 4.437 4.640 0.002 0.000 0.201 327 D C 1.642 177.994 176.300 0.088 0.000 0.980 327 D CA 1.301 55.476 54.000 0.292 0.000 0.842 327 D CB -0.120 40.911 40.800 0.387 0.000 0.948 327 D HN 0.275 nan 8.370 nan 0.000 0.472 328 Q N -0.408 119.372 119.800 -0.034 0.000 2.079 328 Q HA -0.104 4.237 4.340 0.002 0.000 0.200 328 Q C 2.049 177.906 176.000 -0.239 0.000 0.974 328 Q CA 1.143 56.875 55.803 -0.120 0.000 0.840 328 Q CB 0.004 28.674 28.738 -0.114 0.000 0.898 328 Q HN 0.330 nan 8.270 nan 0.000 0.430 329 E N 0.263 120.251 120.200 -0.353 0.000 2.110 329 E HA -0.169 4.182 4.350 0.002 0.000 0.193 329 E C 1.680 178.107 176.600 -0.289 0.000 0.988 329 E CA 0.736 56.968 56.400 -0.280 0.000 0.804 329 E CB -0.213 29.359 29.700 -0.214 0.000 0.745 329 E HN 0.277 nan 8.360 nan 0.000 0.458 330 F N 1.956 121.375 119.950 -0.885 0.000 2.051 330 F HA -0.175 4.352 4.527 0.001 0.000 0.296 330 F C 2.433 177.848 175.800 -0.641 0.000 1.122 330 F CA 1.665 58.812 58.000 -1.422 0.000 1.201 330 F CB -0.598 37.620 39.000 -1.303 0.000 0.978 330 F HN -0.140 nan 8.300 nan 0.000 0.472 331 S N 0.048 115.408 115.700 -0.567 0.000 2.374 331 S HA -0.213 4.258 4.470 0.002 0.000 0.227 331 S C 2.188 176.556 174.600 -0.386 0.000 1.037 331 S CA 1.582 59.490 58.200 -0.486 0.000 1.024 331 S CB -0.660 62.416 63.200 -0.208 0.000 0.861 331 S HN 0.481 nan 8.310 nan 0.000 0.456 332 S N 1.382 116.905 115.700 -0.296 0.000 2.368 332 S HA -0.096 4.375 4.470 0.002 0.000 0.224 332 S C 1.535 176.009 174.600 -0.211 0.000 1.029 332 S CA 1.103 59.168 58.200 -0.224 0.000 0.988 332 S CB -0.420 62.675 63.200 -0.175 0.000 0.838 332 S HN 0.445 nan 8.310 nan 0.000 0.462 333 D N 1.112 121.398 120.400 -0.190 0.000 2.117 333 D HA -0.000 4.641 4.640 0.002 0.000 0.198 333 D C 1.722 177.923 176.300 -0.165 0.000 0.982 333 D CA 0.739 54.696 54.000 -0.071 0.000 0.828 333 D CB -0.249 40.669 40.800 0.196 0.000 0.967 333 D HN 0.193 nan 8.370 nan 0.000 0.464 334 L N -0.199 120.823 121.223 -0.334 0.000 2.240 334 L HA 0.165 4.506 4.340 0.002 0.000 0.211 334 L C 1.682 178.212 176.870 -0.568 0.000 1.106 334 L CA 0.892 55.522 54.840 -0.350 0.000 0.793 334 L CB -0.431 41.362 42.059 -0.442 0.000 0.927 334 L HN -0.012 nan 8.230 nan 0.000 0.446 335 G N -2.533 105.854 108.800 -0.688 0.000 3.247 335 G HA2 0.313 4.274 3.960 0.002 0.000 0.163 335 G HA3 0.313 4.274 3.960 0.002 0.000 0.163 335 G C -0.725 173.890 174.900 -0.475 0.000 1.206 335 G CA 0.039 44.468 45.100 -1.118 0.000 0.918 335 G HN -0.012 nan 8.290 nan 0.000 0.625 336 S N -0.764 114.773 115.700 -0.271 0.000 2.438 336 S HA 0.264 4.735 4.470 0.002 0.000 0.293 336 S C 1.362 175.884 174.600 -0.129 0.000 1.141 336 S CA -0.322 57.790 58.200 -0.147 0.000 1.080 336 S CB 1.344 64.498 63.200 -0.078 0.000 0.978 336 S HN 0.587 nan 8.310 nan 0.000 0.479 337 R N 4.219 124.653 120.500 -0.109 0.000 2.073 337 R HA -0.081 4.260 4.340 0.002 0.000 0.234 337 R C 2.191 178.452 176.300 -0.065 0.000 1.134 337 R CA 1.879 57.924 56.100 -0.093 0.000 0.952 337 R CB -0.730 29.528 30.300 -0.070 0.000 0.850 337 R HN 0.784 nan 8.270 nan 0.000 0.433 338 A N 0.169 122.967 122.820 -0.037 0.000 1.908 338 A HA -0.120 4.200 4.320 0.002 0.000 0.218 338 A C 2.284 179.832 177.584 -0.060 0.000 1.181 338 A CA 1.703 53.739 52.037 -0.002 0.000 0.627 338 A CB -0.631 18.377 19.000 0.013 0.000 0.818 338 A HN 0.249 nan 8.150 nan 0.000 0.445 339 V N 0.961 120.820 119.914 -0.092 0.000 2.358 339 V HA -0.258 3.863 4.120 0.002 0.000 0.246 339 V C 2.342 178.352 176.094 -0.140 0.000 1.047 339 V CA 2.029 64.248 62.300 -0.135 0.000 1.035 339 V CB -0.896 30.871 31.823 -0.094 0.000 0.658 339 V HN 0.579 nan 8.190 nan 0.000 0.452 340 N N 0.217 118.851 118.700 -0.110 0.000 2.043 340 N HA -0.238 4.503 4.740 0.002 0.000 0.193 340 N C 2.058 177.504 175.510 -0.107 0.000 1.037 340 N CA 1.789 54.776 53.050 -0.106 0.000 0.851 340 N CB -0.283 38.136 38.487 -0.112 0.000 1.027 340 N HN 0.305 nan 8.380 nan 0.000 0.422 341 R N 1.425 121.870 120.500 -0.092 0.000 2.081 341 R HA 0.059 4.400 4.340 0.002 0.000 0.235 341 R C 2.243 178.508 176.300 -0.060 0.000 1.131 341 R CA 0.901 56.951 56.100 -0.084 0.000 0.960 341 R CB -0.659 29.585 30.300 -0.093 0.000 0.856 341 R HN 0.229 nan 8.270 nan 0.000 0.436 342 I N 0.769 121.276 120.570 -0.105 0.000 2.163 342 I HA -0.337 3.834 4.170 0.002 0.000 0.243 342 I C 1.697 177.539 176.117 -0.457 0.000 1.085 342 I CA 1.519 62.538 61.300 -0.468 0.000 1.347 342 I CB -0.408 37.021 38.000 -0.952 0.000 1.044 342 I HN 0.258 nan 8.210 nan 0.000 0.408 343 N N 0.827 119.349 118.700 -0.296 0.000 2.244 343 N HA -0.131 4.610 4.740 0.002 0.000 0.183 343 N C 1.523 176.957 175.510 -0.126 0.000 1.016 343 N CA 1.043 53.978 53.050 -0.191 0.000 0.866 343 N CB -0.514 37.898 38.487 -0.126 0.000 0.980 343 N HN 0.374 nan 8.380 nan 0.000 0.430 344 N N 0.457 119.093 118.700 -0.107 0.000 2.244 344 N HA -0.062 4.679 4.740 0.002 0.000 0.183 344 N C 1.766 177.217 175.510 -0.098 0.000 1.016 344 N CA 0.469 53.479 53.050 -0.066 0.000 0.866 344 N CB -0.278 38.189 38.487 -0.033 0.000 0.980 344 N HN 0.059 nan 8.380 nan 0.000 0.430 345 V N 1.415 121.241 119.914 -0.146 0.000 2.488 345 V HA -0.085 4.036 4.120 0.002 0.000 0.246 345 V C 2.249 178.196 176.094 -0.245 0.000 1.046 345 V CA 1.112 63.235 62.300 -0.295 0.000 1.053 345 V CB -0.293 31.399 31.823 -0.219 0.000 0.679 345 V HN 0.224 nan 8.190 nan 0.000 0.458 346 R N -0.090 120.348 120.500 -0.103 0.000 2.091 346 R HA -0.154 4.187 4.340 0.002 0.000 0.238 346 R C 2.401 178.647 176.300 -0.090 0.000 1.136 346 R CA 1.992 58.074 56.100 -0.030 0.000 0.959 346 R CB -0.807 29.499 30.300 0.010 0.000 0.856 346 R HN 0.461 nan 8.270 nan 0.000 0.437 347 T N 1.041 115.544 114.554 -0.085 0.000 2.720 347 T HA -0.140 4.211 4.350 0.002 0.000 0.268 347 T C 1.843 176.484 174.700 -0.098 0.000 1.037 347 T CA 1.159 63.222 62.100 -0.062 0.000 1.144 347 T CB -0.045 68.806 68.868 -0.029 0.000 0.864 347 T HN 0.071 nan 8.240 nan 0.000 0.444 348 M N 0.965 120.472 119.600 -0.155 0.000 2.059 348 M HA 0.010 4.491 4.480 0.002 0.000 0.259 348 M C 2.355 178.317 176.300 -0.563 0.000 1.072 348 M CA 1.669 56.849 55.300 -0.200 0.000 1.117 348 M CB -0.930 31.608 32.600 -0.103 0.000 1.320 348 M HN 0.175 nan 8.290 nan 0.000 0.408 349 R N -1.000 119.066 120.500 -0.722 0.000 2.115 349 R HA -0.017 4.324 4.340 0.002 0.000 0.226 349 R C 2.199 178.280 176.300 -0.365 0.000 1.100 349 R CA 1.182 56.709 56.100 -0.954 0.000 0.980 349 R CB -0.494 29.482 30.300 -0.540 0.000 0.875 349 R HN 0.498 nan 8.270 nan 0.000 0.445 350 G N -0.453 108.238 108.800 -0.181 0.000 2.662 350 G HA2 0.025 3.986 3.960 0.002 0.000 0.212 350 G HA3 0.025 3.986 3.960 0.002 0.000 0.212 350 G C 1.207 176.113 174.900 0.010 0.000 1.141 350 G CA 0.016 45.091 45.100 -0.041 0.000 0.797 350 G HN 0.087 nan 8.290 nan 0.000 0.531 351 L N -1.326 119.894 121.223 -0.004 0.000 2.694 351 L HA 0.234 4.575 4.340 0.002 0.000 0.228 351 L C 2.460 179.379 176.870 0.081 0.000 1.048 351 L CA 0.095 54.960 54.840 0.042 0.000 0.887 351 L CB -0.108 41.966 42.059 0.025 0.000 1.265 351 L HN 0.025 nan 8.230 nan 0.000 0.492 352 Q N 0.530 120.379 119.800 0.082 0.000 2.083 352 Q HA -0.116 4.225 4.340 0.002 0.000 0.198 352 Q C 2.239 178.427 176.000 0.313 0.000 0.969 352 Q CA 1.688 57.592 55.803 0.167 0.000 0.838 352 Q CB 0.008 28.848 28.738 0.171 0.000 0.900 352 Q HN 0.287 nan 8.270 nan 0.000 0.436 353 F N 0.880 120.886 119.950 0.093 0.000 2.154 353 F HA -0.176 4.351 4.527 0.001 0.000 0.301 353 F C 2.502 178.345 175.800 0.072 0.000 1.087 353 F CA 1.003 59.059 58.000 0.094 0.000 1.274 353 F CB -1.334 37.731 39.000 0.109 0.000 1.009 353 F HN 0.166 nan 8.300 nan 0.000 0.485 354 A N -0.450 122.535 122.820 0.275 0.000 1.898 354 A HA -0.223 4.098 4.320 0.002 0.000 0.216 354 A C 2.240 179.903 177.584 0.133 0.000 1.181 354 A CA 1.635 53.775 52.037 0.171 0.000 0.620 354 A CB -0.880 18.206 19.000 0.142 0.000 0.819 354 A HN 0.427 nan 8.150 nan 0.000 0.442 355 E N -0.483 119.793 120.200 0.126 0.000 2.110 355 E HA -0.242 4.109 4.350 0.002 0.000 0.193 355 E C 1.042 177.686 176.600 0.073 0.000 0.988 355 E CA 1.331 57.786 56.400 0.092 0.000 0.804 355 E CB -0.144 29.604 29.700 0.080 0.000 0.745 355 E HN 0.441 nan 8.360 nan 0.000 0.458 356 D N -0.848 119.601 120.400 0.082 0.000 2.363 356 D HA 0.038 4.678 4.640 0.002 0.000 0.220 356 D C 0.454 176.777 176.300 0.038 0.000 0.994 356 D CA 0.639 54.662 54.000 0.039 0.000 0.890 356 D CB 0.416 41.239 40.800 0.039 0.000 0.906 356 D HN 0.244 nan 8.370 nan 0.000 0.530 357 A N -0.044 122.811 122.820 0.058 0.000 2.535 357 A HA 0.299 4.620 4.320 0.002 0.000 0.273 357 A C 0.815 178.435 177.584 0.060 0.000 1.267 357 A CA -0.225 51.841 52.037 0.048 0.000 0.940 357 A CB 0.025 19.052 19.000 0.046 0.000 1.101 357 A HN 0.131 nan 8.150 nan 0.000 0.521 358 S N -1.105 114.637 115.700 0.070 0.000 2.747 358 S HA 0.588 5.059 4.470 0.002 0.000 0.300 358 S C -2.111 172.533 174.600 0.074 0.000 1.121 358 S CA -1.217 57.028 58.200 0.075 0.000 0.995 358 S CB 1.178 64.428 63.200 0.083 0.000 1.113 358 S HN -0.035 nan 8.310 nan 0.000 0.547 359 P HA 0.031 nan 4.420 nan 0.000 0.225 359 P C 0.917 178.267 177.300 0.083 0.000 1.148 359 P CA 1.057 64.197 63.100 0.066 0.000 0.779 359 P CB 0.025 31.753 31.700 0.047 0.000 0.780 360 M N -1.242 118.411 119.600 0.087 0.000 2.505 360 M HA 0.197 4.678 4.480 0.002 0.000 0.230 360 M C 0.526 176.983 176.300 0.261 0.000 1.153 360 M CA -0.453 54.916 55.300 0.115 0.000 0.997 360 M CB -0.749 31.870 32.600 0.032 0.000 1.606 360 M HN -0.180 nan 8.290 nan 0.000 0.481 361 A N 1.950 124.883 122.820 0.189 0.000 2.531 361 A HA 0.259 4.579 4.320 0.002 0.000 0.236 361 A C 0.060 177.813 177.584 0.282 0.000 1.062 361 A CA 0.448 52.576 52.037 0.151 0.000 0.760 361 A CB -0.097 18.955 19.000 0.085 0.000 0.995 361 A HN 0.670 nan 8.150 nan 0.000 0.501 362 H N -0.386 118.784 119.070 0.167 0.000 3.037 362 H HA 0.594 5.151 4.556 0.002 0.000 0.355 362 H C -3.382 172.054 175.328 0.181 0.000 1.263 362 H CA -2.305 53.871 56.048 0.213 0.000 1.129 362 H CB 0.624 30.599 29.762 0.354 0.000 1.861 362 H HN 0.359 nan 8.280 nan 0.000 0.546 363 P HA 0.112 nan 4.420 nan 0.000 0.272 363 P C 1.676 179.108 177.300 0.219 0.000 1.240 363 P CA -0.490 62.714 63.100 0.174 0.000 0.791 363 P CB 1.090 32.896 31.700 0.176 0.000 0.978 364 I N -1.711 118.940 120.570 0.135 0.000 2.454 364 I HA -0.069 4.102 4.170 0.002 0.000 0.254 364 I C 1.113 177.360 176.117 0.216 0.000 1.156 364 I CA 1.150 62.536 61.300 0.144 0.000 1.433 364 I CB -0.322 37.675 38.000 -0.005 0.000 1.082 364 I HN 0.140 nan 8.210 nan 0.000 0.432 365 R N 2.826 123.475 120.500 0.248 0.000 2.346 365 R HA 0.438 4.779 4.340 0.002 0.000 0.309 365 R C -2.572 173.882 176.300 0.256 0.000 1.119 365 R CA -2.012 54.253 56.100 0.275 0.000 1.112 365 R CB 0.631 31.126 30.300 0.326 0.000 1.132 365 R HN 0.074 nan 8.270 nan 0.000 0.538 366 P HA 0.019 nan 4.420 nan 0.000 0.269 366 P C -0.470 176.953 177.300 0.205 0.000 1.217 366 P CA -0.026 63.209 63.100 0.225 0.000 0.783 366 P CB 0.812 32.513 31.700 0.002 0.000 0.898 367 D N -0.184 120.296 120.400 0.133 0.000 2.388 367 D HA 0.145 4.786 4.640 0.002 0.000 0.208 367 D C 0.532 176.823 176.300 -0.015 0.000 1.035 367 D CA 0.947 54.965 54.000 0.029 0.000 0.875 367 D CB 0.392 41.267 40.800 0.125 0.000 0.984 367 D HN 0.281 nan 8.370 nan 0.000 0.508 368 M N 0.856 120.485 119.600 0.048 0.000 2.433 368 M HA 0.421 4.902 4.480 0.002 0.000 0.290 368 M C -2.268 173.938 176.300 -0.158 0.000 1.173 368 M CA -0.543 54.694 55.300 -0.104 0.000 0.905 368 M CB 2.756 35.312 32.600 -0.074 0.000 1.692 368 M HN -0.380 nan 8.290 nan 0.000 0.462 369 V N 5.340 125.133 119.914 -0.201 0.000 2.817 369 V HA 0.376 4.497 4.120 0.002 0.000 0.303 369 V C -0.092 175.940 176.094 -0.103 0.000 1.151 369 V CA -0.368 61.743 62.300 -0.315 0.000 0.929 369 V CB 2.232 33.690 31.823 -0.608 0.000 1.030 369 V HN 0.990 nan 8.190 nan 0.000 0.427 370 I N 1.636 122.247 120.570 0.068 0.000 2.899 370 I HA 0.251 4.422 4.170 0.002 0.000 0.257 370 I C 0.654 176.832 176.117 0.101 0.000 1.115 370 I CA 0.533 61.891 61.300 0.098 0.000 1.451 370 I CB 0.522 38.630 38.000 0.181 0.000 1.251 370 I HN 0.628 nan 8.210 nan 0.000 0.456 371 E N 0.981 121.282 120.200 0.169 0.000 2.182 371 E HA 0.172 4.523 4.350 0.002 0.000 0.258 371 E C 0.386 177.093 176.600 0.178 0.000 0.879 371 E CA -0.399 56.075 56.400 0.123 0.000 0.754 371 E CB 1.400 31.161 29.700 0.101 0.000 1.162 371 E HN 0.128 nan 8.360 nan 0.000 0.419 372 M N 4.065 123.700 119.600 0.058 0.000 2.358 372 M HA 0.001 4.482 4.480 0.002 0.000 0.264 372 M C 0.406 176.824 176.300 0.196 0.000 1.064 372 M CA 1.515 56.840 55.300 0.041 0.000 1.093 372 M CB -0.176 32.297 32.600 -0.212 0.000 1.401 372 M HN 0.441 nan 8.290 nan 0.000 0.440 373 N N 0.477 119.232 118.700 0.091 0.000 2.453 373 N HA -0.073 4.668 4.740 0.002 0.000 0.183 373 N C 0.801 176.391 175.510 0.134 0.000 1.041 373 N CA 0.659 53.755 53.050 0.077 0.000 0.900 373 N CB -0.612 37.808 38.487 -0.112 0.000 0.961 373 N HN 0.448 nan 8.380 nan 0.000 0.443 374 N N -0.025 118.734 118.700 0.098 0.000 2.550 374 N HA -0.026 4.715 4.740 0.002 0.000 0.186 374 N C 0.114 175.415 175.510 -0.347 0.000 1.110 374 N CA 0.406 53.376 53.050 -0.134 0.000 0.912 374 N CB -0.119 38.210 38.487 -0.264 0.000 0.968 374 N HN 0.260 nan 8.380 nan 0.000 0.448 375 F N -1.003 118.958 119.950 0.018 0.000 2.708 375 F HA 0.230 4.758 4.527 0.001 0.000 0.300 375 F C -0.233 175.498 175.800 -0.116 0.000 1.118 375 F CA -0.561 57.376 58.000 -0.105 0.000 1.307 375 F CB 0.003 38.874 39.000 -0.215 0.000 0.986 375 F HN -0.120 nan 8.300 nan 0.000 0.522 376 Y N 1.308 121.670 120.300 0.102 0.000 2.667 376 Y HA 0.244 4.794 4.550 0.002 0.000 0.340 376 Y C 0.954 176.865 175.900 0.019 0.000 1.303 376 Y CA -0.909 57.280 58.100 0.150 0.000 1.769 376 Y CB -0.708 37.765 38.460 0.021 0.000 1.804 376 Y HN -0.012 nan 8.280 nan 0.000 0.451 377 T N -3.401 111.276 114.554 0.205 0.000 2.942 377 T HA 0.394 4.744 4.350 0.002 0.000 0.289 377 T C 1.000 175.811 174.700 0.184 0.000 1.044 377 T CA -0.910 61.282 62.100 0.154 0.000 1.023 377 T CB 1.224 70.252 68.868 0.266 0.000 1.123 377 T HN 0.361 nan 8.240 nan 0.000 0.512 378 L N 0.377 121.665 121.223 0.109 0.000 2.129 378 L HA -0.127 4.214 4.340 0.002 0.000 0.212 378 L C 2.920 179.891 176.870 0.168 0.000 1.087 378 L CA 1.582 56.493 54.840 0.117 0.000 0.757 378 L CB -0.980 41.127 42.059 0.080 0.000 0.896 378 L HN 0.844 nan 8.230 nan 0.000 0.434 379 T N -1.034 113.611 114.554 0.152 0.000 2.732 379 T HA -0.124 4.227 4.350 0.002 0.000 0.261 379 T C 1.989 176.795 174.700 0.177 0.000 1.040 379 T CA 1.299 63.457 62.100 0.096 0.000 1.145 379 T CB -0.163 68.605 68.868 -0.167 0.000 0.866 379 T HN 0.037 nan 8.240 nan 0.000 0.427 380 V N 0.263 120.354 119.914 0.295 0.000 2.332 380 V HA -0.172 3.949 4.120 0.002 0.000 0.248 380 V C 2.082 178.294 176.094 0.197 0.000 1.055 380 V CA 1.645 64.099 62.300 0.257 0.000 1.038 380 V CB -0.649 31.340 31.823 0.277 0.000 0.651 380 V HN 0.458 nan 8.190 nan 0.000 0.450 381 Y N 0.356 120.718 120.300 0.104 0.000 2.159 381 Y HA -0.033 4.518 4.550 0.002 0.000 0.285 381 Y C 2.572 178.532 175.900 0.100 0.000 1.106 381 Y CA 1.554 59.720 58.100 0.110 0.000 1.095 381 Y CB -0.532 37.990 38.460 0.103 0.000 1.015 381 Y HN 0.174 nan 8.280 nan 0.000 0.491 382 E N 0.193 120.557 120.200 0.274 0.000 2.046 382 E HA -0.124 4.227 4.350 0.002 0.000 0.190 382 E C 2.084 178.770 176.600 0.143 0.000 0.982 382 E CA 1.106 57.616 56.400 0.183 0.000 0.800 382 E CB -0.116 29.671 29.700 0.144 0.000 0.756 382 E HN 0.205 nan 8.360 nan 0.000 0.449 383 K N 0.055 120.537 120.400 0.136 0.000 2.097 383 K HA -0.104 4.217 4.320 0.002 0.000 0.206 383 K C 2.084 178.695 176.600 0.018 0.000 1.049 383 K CA 1.356 57.699 56.287 0.092 0.000 0.933 383 K CB -0.333 32.229 32.500 0.103 0.000 0.717 383 K HN 0.215 nan 8.250 nan 0.000 0.442 384 G N 0.473 109.296 108.800 0.037 0.000 2.440 384 G HA2 -0.293 3.668 3.960 0.002 0.000 0.218 384 G HA3 -0.293 3.668 3.960 0.002 0.000 0.218 384 G C 1.537 176.429 174.900 -0.013 0.000 1.154 384 G CA 0.979 46.067 45.100 -0.020 0.000 0.767 384 G HN 0.440 nan 8.290 nan 0.000 0.552 385 A N 0.648 123.504 122.820 0.061 0.000 1.930 385 A HA 0.032 4.353 4.320 0.002 0.000 0.217 385 A C 2.226 179.854 177.584 0.074 0.000 1.175 385 A CA 1.810 53.918 52.037 0.118 0.000 0.627 385 A CB -0.265 18.856 19.000 0.201 0.000 0.815 385 A HN 0.280 nan 8.150 nan 0.000 0.443 386 E N 0.133 120.355 120.200 0.036 0.000 2.160 386 E HA -0.137 4.214 4.350 0.002 0.000 0.195 386 E C 2.143 178.636 176.600 -0.177 0.000 0.991 386 E CA 1.343 57.717 56.400 -0.044 0.000 0.810 386 E CB -0.682 28.994 29.700 -0.041 0.000 0.742 386 E HN 0.427 nan 8.360 nan 0.000 0.466 387 V N 1.777 121.570 119.914 -0.201 0.000 2.307 387 V HA -0.217 3.904 4.120 0.002 0.000 0.245 387 V C 2.371 178.445 176.094 -0.034 0.000 1.045 387 V CA 1.138 63.295 62.300 -0.237 0.000 1.024 387 V CB -0.376 31.237 31.823 -0.350 0.000 0.651 387 V HN 0.193 nan 8.190 nan 0.000 0.449 388 I N 0.251 120.779 120.570 -0.071 0.000 2.264 388 I HA -0.230 3.941 4.170 0.002 0.000 0.248 388 I C 2.579 178.455 176.117 -0.402 0.000 1.111 388 I CA 1.769 62.986 61.300 -0.138 0.000 1.382 388 I CB -1.200 36.643 38.000 -0.262 0.000 1.060 388 I HN 0.347 nan 8.210 nan 0.000 0.418 389 R N 0.738 121.016 120.500 -0.371 0.000 2.092 389 R HA -0.102 4.239 4.340 0.002 0.000 0.231 389 R C 2.367 178.582 176.300 -0.141 0.000 1.119 389 R CA 1.094 57.030 56.100 -0.272 0.000 0.970 389 R CB -0.054 30.280 30.300 0.055 0.000 0.864 389 R HN 0.225 nan 8.270 nan 0.000 0.440 390 M N 0.167 119.691 119.600 -0.127 0.000 2.213 390 M HA -0.155 4.326 4.480 0.002 0.000 0.263 390 M C 2.116 178.308 176.300 -0.180 0.000 1.062 390 M CA 1.512 56.750 55.300 -0.102 0.000 1.105 390 M CB -0.174 32.393 32.600 -0.057 0.000 1.385 390 M HN 0.203 nan 8.290 nan 0.000 0.417 391 I N -0.917 119.523 120.570 -0.215 0.000 2.226 391 I HA -0.342 3.829 4.170 0.002 0.000 0.245 391 I C 2.701 178.767 176.117 -0.085 0.000 1.100 391 I CA 1.254 62.380 61.300 -0.291 0.000 1.374 391 I CB -0.810 37.132 38.000 -0.097 0.000 1.057 391 I HN 0.400 nan 8.210 nan 0.000 0.413 392 H N 0.986 119.933 119.070 -0.204 0.000 2.353 392 H HA -0.151 4.406 4.556 0.002 0.000 0.300 392 H C 2.154 177.382 175.328 -0.166 0.000 1.090 392 H CA 2.087 57.949 56.048 -0.311 0.000 1.327 392 H CB 0.105 29.471 29.762 -0.661 0.000 1.383 392 H HN 0.234 nan 8.280 nan 0.000 0.508 393 T N 1.378 115.917 114.554 -0.025 0.000 2.746 393 T HA -0.079 4.272 4.350 0.002 0.000 0.267 393 T C 2.402 177.046 174.700 -0.093 0.000 1.039 393 T CA 1.058 63.136 62.100 -0.037 0.000 1.142 393 T CB -0.177 68.678 68.868 -0.022 0.000 0.866 393 T HN 0.236 nan 8.240 nan 0.000 0.444 394 L N -0.199 120.944 121.223 -0.133 0.000 2.156 394 L HA 0.020 4.361 4.340 0.002 0.000 0.208 394 L C 2.012 178.812 176.870 -0.116 0.000 1.095 394 L CA 0.659 55.422 54.840 -0.128 0.000 0.770 394 L CB -0.205 41.714 42.059 -0.234 0.000 0.914 394 L HN 0.215 nan 8.230 nan 0.000 0.439 395 L N -1.248 119.891 121.223 -0.142 0.000 2.357 395 L HA 0.347 4.688 4.340 0.002 0.000 0.211 395 L C 1.019 177.805 176.870 -0.140 0.000 1.075 395 L CA 0.795 55.565 54.840 -0.116 0.000 0.830 395 L CB -0.308 41.708 42.059 -0.072 0.000 0.996 395 L HN 0.244 nan 8.230 nan 0.000 0.467 396 G N -0.243 108.406 108.800 -0.250 0.000 2.730 396 G HA2 -0.264 3.697 3.960 0.002 0.000 0.686 396 G HA3 -0.264 3.697 3.960 0.002 0.000 0.686 396 G C 0.424 175.110 174.900 -0.356 0.000 1.343 396 G CA 0.129 45.056 45.100 -0.288 0.000 0.826 396 G HN 0.182 nan 8.290 nan 0.000 0.582 397 E N -0.177 119.839 120.200 -0.306 0.000 2.058 397 E HA -0.139 4.212 4.350 0.002 0.000 0.194 397 E C 2.127 178.718 176.600 -0.015 0.000 0.997 397 E CA 2.327 58.652 56.400 -0.125 0.000 0.801 397 E CB -0.182 29.529 29.700 0.020 0.000 0.746 397 E HN 0.664 nan 8.360 nan 0.000 0.450 398 E N -0.387 119.787 120.200 -0.043 0.000 2.031 398 E HA -0.217 4.134 4.350 0.002 0.000 0.193 398 E C 1.821 178.405 176.600 -0.028 0.000 0.994 398 E CA 1.244 57.625 56.400 -0.032 0.000 0.800 398 E CB -0.129 29.549 29.700 -0.038 0.000 0.752 398 E HN 0.250 nan 8.360 nan 0.000 0.447 399 N N 0.102 118.779 118.700 -0.039 0.000 2.223 399 N HA -0.165 4.576 4.740 0.002 0.000 0.185 399 N C 1.580 177.065 175.510 -0.041 0.000 1.016 399 N CA 0.827 53.847 53.050 -0.049 0.000 0.863 399 N CB -0.431 38.018 38.487 -0.062 0.000 0.983 399 N HN 0.208 nan 8.380 nan 0.000 0.429 400 F N 2.023 121.883 119.950 -0.151 0.000 2.146 400 F HA -0.120 4.408 4.527 0.001 0.000 0.298 400 F C 2.292 178.054 175.800 -0.063 0.000 1.096 400 F CA 1.201 59.133 58.000 -0.114 0.000 1.275 400 F CB 0.013 38.965 39.000 -0.080 0.000 1.008 400 F HN -0.062 nan 8.300 nan 0.000 0.480 401 Q N 0.903 120.740 119.800 0.062 0.000 2.084 401 Q HA -0.180 4.161 4.340 0.002 0.000 0.202 401 Q C 2.205 178.155 176.000 -0.082 0.000 0.978 401 Q CA 1.522 57.309 55.803 -0.027 0.000 0.844 401 Q CB -0.486 28.223 28.738 -0.049 0.000 0.898 401 Q HN 0.484 nan 8.270 nan 0.000 0.426 402 K N -0.333 120.016 120.400 -0.085 0.000 2.063 402 K HA -0.118 4.203 4.320 0.002 0.000 0.208 402 K C 2.097 178.613 176.600 -0.140 0.000 1.048 402 K CA 1.244 57.477 56.287 -0.090 0.000 0.928 402 K CB -0.379 32.074 32.500 -0.078 0.000 0.713 402 K HN 0.294 nan 8.250 nan 0.000 0.442 403 G N 1.459 110.119 108.800 -0.233 0.000 2.440 403 G HA2 -0.249 3.712 3.960 0.002 0.000 0.218 403 G HA3 -0.249 3.712 3.960 0.002 0.000 0.218 403 G C 1.480 176.178 174.900 -0.336 0.000 1.154 403 G CA 0.652 45.550 45.100 -0.337 0.000 0.767 403 G HN 0.066 nan 8.290 nan 0.000 0.552 404 M N 0.367 119.763 119.600 -0.338 0.000 2.082 404 M HA -0.131 4.350 4.480 0.002 0.000 0.258 404 M C 2.639 178.889 176.300 -0.083 0.000 1.069 404 M CA 1.429 56.609 55.300 -0.198 0.000 1.102 404 M CB -1.326 31.305 32.600 0.052 0.000 1.336 404 M HN 0.358 nan 8.290 nan 0.000 0.404 405 Q N -0.323 119.481 119.800 0.007 0.000 2.079 405 Q HA -0.156 4.185 4.340 0.002 0.000 0.200 405 Q C 2.101 178.130 176.000 0.050 0.000 0.974 405 Q CA 1.046 56.901 55.803 0.087 0.000 0.840 405 Q CB -0.310 28.450 28.738 0.037 0.000 0.898 405 Q HN 0.292 nan 8.270 nan 0.000 0.430 406 L N -0.153 121.058 121.223 -0.019 0.000 2.046 406 L HA -0.194 4.147 4.340 0.002 0.000 0.208 406 L C 2.160 179.036 176.870 0.009 0.000 1.077 406 L CA 1.724 56.549 54.840 -0.024 0.000 0.747 406 L CB -0.708 41.313 42.059 -0.062 0.000 0.896 406 L HN 0.234 nan 8.230 nan 0.000 0.432 407 Y N -0.664 119.535 120.300 -0.169 0.000 2.145 407 Y HA -0.287 4.264 4.550 0.001 0.000 0.286 407 Y C 2.118 178.017 175.900 -0.001 0.000 1.145 407 Y CA 1.822 59.863 58.100 -0.098 0.000 1.148 407 Y CB -0.611 37.683 38.460 -0.276 0.000 0.981 407 Y HN 0.204 nan 8.280 nan 0.000 0.507 408 F N 0.724 120.705 119.950 0.053 0.000 2.186 408 F HA -0.080 4.448 4.527 0.001 0.000 0.299 408 F C 2.592 178.383 175.800 -0.016 0.000 1.090 408 F CA 1.592 59.585 58.000 -0.012 0.000 1.307 408 F CB -1.086 37.958 39.000 0.074 0.000 1.019 408 F HN 0.158 nan 8.300 nan 0.000 0.489 409 E N 0.482 120.766 120.200 0.139 0.000 2.058 409 E HA -0.214 4.137 4.350 0.002 0.000 0.194 409 E C 2.303 178.874 176.600 -0.047 0.000 0.997 409 E CA 1.430 57.862 56.400 0.052 0.000 0.801 409 E CB 0.010 29.724 29.700 0.022 0.000 0.746 409 E HN 0.339 nan 8.360 nan 0.000 0.450 410 R N -1.146 119.248 120.500 -0.177 0.000 2.153 410 R HA -0.011 4.329 4.340 0.002 0.000 0.218 410 R C 1.480 177.488 176.300 -0.486 0.000 1.072 410 R CA 1.068 56.919 56.100 -0.416 0.000 0.990 410 R CB 0.077 29.930 30.300 -0.745 0.000 0.889 410 R HN 0.357 nan 8.270 nan 0.000 0.452 411 H N -1.067 117.965 119.070 -0.063 0.000 3.058 411 H HA 0.092 4.649 4.556 0.002 0.000 0.266 411 H C -0.273 175.035 175.328 -0.033 0.000 1.135 411 H CA -0.564 55.427 56.048 -0.094 0.000 1.174 411 H CB 0.340 29.963 29.762 -0.231 0.000 1.581 411 H HN 0.050 nan 8.280 nan 0.000 0.553 412 D N 1.098 121.580 120.400 0.138 0.000 2.586 412 D HA 0.055 4.696 4.640 0.002 0.000 0.234 412 D C 1.474 177.839 176.300 0.109 0.000 1.132 412 D CA 1.923 56.030 54.000 0.177 0.000 0.860 412 D CB 0.326 41.265 40.800 0.231 0.000 1.159 412 D HN 0.648 nan 8.370 nan 0.000 0.490 413 G N 2.083 110.930 108.800 0.077 0.000 2.179 413 G HA2 -0.173 3.788 3.960 0.002 0.000 0.220 413 G HA3 -0.173 3.788 3.960 0.002 0.000 0.220 413 G C 0.293 175.233 174.900 0.066 0.000 0.990 413 G CA 0.581 45.726 45.100 0.076 0.000 0.646 413 G HN 1.153 nan 8.290 nan 0.000 0.517 414 S N -1.072 114.668 115.700 0.067 0.000 2.806 414 S HA 0.906 5.377 4.470 0.002 0.000 0.306 414 S C -0.207 174.421 174.600 0.045 0.000 1.167 414 S CA 0.274 58.512 58.200 0.063 0.000 0.847 414 S CB 1.807 65.057 63.200 0.084 0.000 1.216 414 S HN 1.909 nan 8.310 nan 0.000 0.532 415 A N 0.142 122.980 122.820 0.030 0.000 2.276 415 A HA 0.882 5.203 4.320 0.002 0.000 0.316 415 A C 0.203 177.763 177.584 -0.039 0.000 1.229 415 A CA -0.259 51.775 52.037 -0.005 0.000 0.851 415 A CB 0.198 19.186 19.000 -0.019 0.000 1.165 415 A HN 1.577 nan 8.150 nan 0.000 0.513 416 A N 1.632 124.413 122.820 -0.065 0.000 2.414 416 A HA 0.967 5.288 4.320 0.002 0.000 0.278 416 A C 0.310 177.827 177.584 -0.112 0.000 1.228 416 A CA 0.069 52.023 52.037 -0.138 0.000 0.857 416 A CB 0.873 19.707 19.000 -0.277 0.000 1.389 416 A HN 1.531 nan 8.150 nan 0.000 0.452 417 T N -3.679 110.802 114.554 -0.121 0.000 2.940 417 T HA 0.396 4.747 4.350 0.002 0.000 0.288 417 T C 0.931 175.597 174.700 -0.058 0.000 1.045 417 T CA -0.035 62.008 62.100 -0.095 0.000 1.018 417 T CB 0.686 69.486 68.868 -0.113 0.000 1.151 417 T HN 0.612 nan 8.240 nan 0.000 0.529 418 C N 0.361 119.622 119.300 -0.065 0.000 2.413 418 C HA -0.069 4.392 4.460 0.002 0.000 0.276 418 C C 2.528 177.401 174.990 -0.196 0.000 1.248 418 C CA 1.558 60.500 59.018 -0.126 0.000 1.742 418 C CB -1.443 26.173 27.740 -0.207 0.000 2.017 418 C HN 1.150 nan 8.230 nan 0.000 0.481 419 D N 0.726 121.015 120.400 -0.184 0.000 2.149 419 D HA -0.155 4.486 4.640 0.002 0.000 0.198 419 D C 1.606 177.866 176.300 -0.067 0.000 0.990 419 D CA 1.461 55.376 54.000 -0.143 0.000 0.839 419 D CB -0.205 40.544 40.800 -0.086 0.000 0.948 419 D HN 0.403 nan 8.370 nan 0.000 0.460 420 D N -0.620 119.755 120.400 -0.043 0.000 2.123 420 D HA -0.189 4.452 4.640 0.002 0.000 0.196 420 D C 1.749 178.090 176.300 0.068 0.000 0.992 420 D CA 0.634 54.636 54.000 0.004 0.000 0.833 420 D CB -0.471 40.213 40.800 -0.195 0.000 0.954 420 D HN 0.323 nan 8.370 nan 0.000 0.455 421 F N 1.444 121.320 119.950 -0.123 0.000 2.113 421 F HA -0.190 4.338 4.527 0.002 0.000 0.297 421 F C 2.206 177.880 175.800 -0.209 0.000 1.103 421 F CA 0.964 58.795 58.000 -0.281 0.000 1.248 421 F CB -0.294 38.423 39.000 -0.471 0.000 0.999 421 F HN -0.228 nan 8.300 nan 0.000 0.475 422 V N 0.554 120.376 119.914 -0.154 0.000 2.343 422 V HA -0.337 3.784 4.120 0.002 0.000 0.247 422 V C 2.381 178.360 176.094 -0.191 0.000 1.051 422 V CA 2.209 64.406 62.300 -0.173 0.000 1.036 422 V CB -0.931 30.872 31.823 -0.032 0.000 0.654 422 V HN 0.465 nan 8.190 nan 0.000 0.451 423 Q N 0.509 120.242 119.800 -0.112 0.000 2.124 423 Q HA -0.160 4.180 4.340 0.002 0.000 0.202 423 Q C 2.096 178.034 176.000 -0.103 0.000 0.977 423 Q CA 2.166 57.928 55.803 -0.069 0.000 0.850 423 Q CB -0.444 28.290 28.738 -0.007 0.000 0.901 423 Q HN 0.591 nan 8.270 nan 0.000 0.429 424 A N 0.262 123.003 122.820 -0.132 0.000 1.902 424 A HA -0.164 4.157 4.320 0.002 0.000 0.217 424 A C 2.055 179.476 177.584 -0.272 0.000 1.181 424 A CA 1.624 53.571 52.037 -0.150 0.000 0.623 424 A CB -0.506 18.452 19.000 -0.070 0.000 0.818 424 A HN 0.463 nan 8.150 nan 0.000 0.443 425 M N -0.719 118.611 119.600 -0.449 0.000 2.175 425 M HA -0.130 4.351 4.480 0.002 0.000 0.264 425 M C 2.085 178.232 176.300 -0.256 0.000 1.063 425 M CA 1.899 56.933 55.300 -0.443 0.000 1.119 425 M CB -1.130 31.125 32.600 -0.575 0.000 1.377 425 M HN 0.742 nan 8.290 nan 0.000 0.415 426 E N 0.466 120.547 120.200 -0.197 0.000 2.047 426 E HA -0.205 4.146 4.350 0.002 0.000 0.191 426 E C 1.345 177.890 176.600 -0.091 0.000 0.987 426 E CA 1.414 57.744 56.400 -0.116 0.000 0.799 426 E CB 0.154 29.812 29.700 -0.070 0.000 0.752 426 E HN 0.347 nan 8.360 nan 0.000 0.449 427 D N 0.271 120.618 120.400 -0.089 0.000 2.178 427 D HA -0.111 4.530 4.640 0.002 0.000 0.202 427 D C 1.703 177.959 176.300 -0.074 0.000 0.974 427 D CA 1.305 55.265 54.000 -0.066 0.000 0.841 427 D CB -0.157 40.611 40.800 -0.054 0.000 0.953 427 D HN 0.321 nan 8.370 nan 0.000 0.478 428 A N 0.515 123.274 122.820 -0.102 0.000 2.021 428 A HA -0.041 4.280 4.320 0.002 0.000 0.216 428 A C 2.217 179.750 177.584 -0.086 0.000 1.163 428 A CA 1.494 53.474 52.037 -0.095 0.000 0.676 428 A CB -0.102 18.826 19.000 -0.121 0.000 0.818 428 A HN 0.278 nan 8.150 nan 0.000 0.453 429 S N -1.514 114.129 115.700 -0.096 0.000 2.497 429 S HA 0.067 4.538 4.470 0.002 0.000 0.218 429 S C 0.651 175.216 174.600 -0.058 0.000 1.023 429 S CA 0.646 58.797 58.200 -0.081 0.000 0.913 429 S CB -0.463 62.678 63.200 -0.100 0.000 0.800 429 S HN 0.589 nan 8.310 nan 0.000 0.505 430 N N -0.185 118.483 118.700 -0.052 0.000 2.800 430 N HA -0.122 4.619 4.740 0.002 0.000 0.250 430 N C -0.912 174.585 175.510 -0.023 0.000 1.078 430 N CA 0.680 53.711 53.050 -0.033 0.000 0.804 430 N CB -1.688 36.784 38.487 -0.025 0.000 1.135 430 N HN 0.356 nan 8.380 nan 0.000 0.565 431 V N 0.780 120.673 119.914 -0.035 0.000 2.465 431 V HA 0.191 4.312 4.120 0.002 0.000 0.279 431 V C 0.398 176.492 176.094 0.000 0.000 1.045 431 V CA -0.504 61.786 62.300 -0.017 0.000 0.938 431 V CB 1.581 33.378 31.823 -0.044 0.000 0.986 431 V HN 0.126 nan 8.190 nan 0.000 0.467 432 D N 4.302 124.731 120.400 0.048 0.000 2.339 432 D HA 0.211 4.852 4.640 0.002 0.000 0.256 432 D C 0.331 176.712 176.300 0.135 0.000 1.214 432 D CA 0.253 54.301 54.000 0.079 0.000 0.877 432 D CB 0.751 41.609 40.800 0.095 0.000 1.111 432 D HN 0.447 nan 8.370 nan 0.000 0.478 433 L N 3.007 124.302 121.223 0.121 0.000 3.014 433 L HA 0.095 4.436 4.340 0.002 0.000 0.263 433 L C 1.891 178.931 176.870 0.284 0.000 1.207 433 L CA -0.163 54.796 54.840 0.198 0.000 1.017 433 L CB 0.099 42.200 42.059 0.071 0.000 1.360 433 L HN 0.369 nan 8.230 nan 0.000 0.560 434 S N -1.716 114.120 115.700 0.228 0.000 2.383 434 S HA -0.248 4.223 4.470 0.002 0.000 0.227 434 S C 1.825 176.605 174.600 0.299 0.000 1.026 434 S CA 1.252 59.580 58.200 0.214 0.000 0.981 434 S CB -0.448 62.834 63.200 0.138 0.000 0.818 434 S HN 0.610 nan 8.310 nan 0.000 0.472 435 H N -0.225 118.977 119.070 0.221 0.000 2.363 435 H HA 0.004 4.560 4.556 0.001 0.000 0.301 435 H C 1.959 177.461 175.328 0.290 0.000 1.074 435 H CA 1.041 57.209 56.048 0.201 0.000 1.354 435 H CB -0.257 29.604 29.762 0.166 0.000 1.397 435 H HN 0.440 nan 8.280 nan 0.000 0.516 436 F N 2.099 122.221 119.950 0.287 0.000 2.192 436 F HA -0.214 4.314 4.527 0.002 0.000 0.301 436 F C 2.406 178.418 175.800 0.353 0.000 1.079 436 F CA 1.332 59.494 58.000 0.271 0.000 1.303 436 F CB -0.173 38.936 39.000 0.182 0.000 1.024 436 F HN 0.050 nan 8.300 nan 0.000 0.494 437 R N -0.173 120.564 120.500 0.394 0.000 2.159 437 R HA -0.206 4.135 4.340 0.002 0.000 0.237 437 R C 2.319 178.777 176.300 0.264 0.000 1.131 437 R CA 1.319 57.626 56.100 0.346 0.000 0.982 437 R CB -0.450 29.984 30.300 0.224 0.000 0.868 437 R HN 0.297 nan 8.270 nan 0.000 0.453 438 R N 0.011 120.593 120.500 0.136 0.000 2.200 438 R HA -0.182 4.159 4.340 0.002 0.000 0.234 438 R C 1.153 177.422 176.300 -0.051 0.000 1.127 438 R CA 1.397 57.518 56.100 0.035 0.000 0.989 438 R CB -0.164 30.132 30.300 -0.006 0.000 0.869 438 R HN 0.308 nan 8.270 nan 0.000 0.459 439 W N -0.737 120.446 121.300 -0.195 0.000 2.421 439 W HA -0.126 4.535 4.660 0.001 0.000 0.270 439 W C 1.246 177.625 176.519 -0.235 0.000 1.233 439 W CA 0.554 57.720 57.345 -0.298 0.000 1.226 439 W CB -0.156 28.947 29.460 -0.596 0.000 1.121 439 W HN 0.156 nan 8.180 nan 0.000 0.579 440 Y N -0.499 119.877 120.300 0.128 0.000 2.457 440 Y HA -0.139 4.412 4.550 0.001 0.000 0.292 440 Y C 2.380 178.344 175.900 0.107 0.000 1.125 440 Y CA 1.435 59.609 58.100 0.123 0.000 1.254 440 Y CB -0.352 38.179 38.460 0.117 0.000 1.012 440 Y HN -0.081 nan 8.280 nan 0.000 0.555 441 S N -1.710 114.110 115.700 0.200 0.000 2.603 441 S HA 0.149 4.620 4.470 0.002 0.000 0.232 441 S C 0.216 174.871 174.600 0.091 0.000 1.016 441 S CA -0.603 57.685 58.200 0.147 0.000 0.976 441 S CB 0.187 63.464 63.200 0.128 0.000 0.921 441 S HN 0.317 nan 8.310 nan 0.000 0.516 442 Q N 2.272 122.102 119.800 0.050 0.000 2.333 442 Q HA 0.605 4.946 4.340 0.002 0.000 0.267 442 Q C -0.457 175.557 176.000 0.024 0.000 1.012 442 Q CA -0.520 55.289 55.803 0.010 0.000 0.824 442 Q CB 1.684 30.378 28.738 -0.073 0.000 1.290 442 Q HN 0.450 nan 8.270 nan 0.000 0.449 443 S N 2.155 117.877 115.700 0.036 0.000 2.738 443 S HA 0.956 5.426 4.470 0.002 0.000 0.284 443 S C 0.235 174.841 174.600 0.009 0.000 1.146 443 S CA -0.020 58.204 58.200 0.040 0.000 0.997 443 S CB 1.303 64.543 63.200 0.068 0.000 1.081 443 S HN 1.238 nan 8.310 nan 0.000 0.553 444 G N -0.154 108.649 108.800 0.005 0.000 2.712 444 G HA2 0.026 3.987 3.960 0.002 0.000 0.686 444 G HA3 0.026 3.987 3.960 0.002 0.000 0.686 444 G C -0.541 174.332 174.900 -0.046 0.000 1.321 444 G CA -0.524 44.563 45.100 -0.022 0.000 0.813 444 G HN 1.125 nan 8.290 nan 0.000 0.599 445 T N 3.654 118.135 114.554 -0.123 0.000 2.744 445 T HA 0.590 4.941 4.350 0.002 0.000 0.291 445 T C -2.113 172.500 174.700 -0.144 0.000 0.957 445 T CA -0.721 61.253 62.100 -0.210 0.000 1.002 445 T CB 1.673 70.165 68.868 -0.625 0.000 0.919 445 T HN 0.535 nan 8.240 nan 0.000 0.468 446 P HA 0.268 nan 4.420 nan 0.000 0.269 446 P C -0.576 176.713 177.300 -0.017 0.000 1.209 446 P CA -0.295 62.778 63.100 -0.045 0.000 0.776 446 P CB 0.425 32.109 31.700 -0.027 0.000 0.876 447 I N 2.270 122.837 120.570 -0.005 0.000 2.330 447 I HA 0.237 4.408 4.170 0.002 0.000 0.289 447 I C -0.345 175.803 176.117 0.052 0.000 1.001 447 I CA -0.901 60.417 61.300 0.030 0.000 1.193 447 I CB 1.542 39.549 38.000 0.012 0.000 1.345 447 I HN -0.054 nan 8.210 nan 0.000 0.461 448 V N 5.460 125.435 119.914 0.102 0.000 2.347 448 V HA 0.297 4.418 4.120 0.002 0.000 0.280 448 V C 0.189 176.338 176.094 0.091 0.000 1.021 448 V CA -0.332 62.024 62.300 0.092 0.000 0.847 448 V CB 1.515 33.434 31.823 0.159 0.000 0.990 448 V HN 0.703 nan 8.190 nan 0.000 0.444 449 T N 5.038 119.614 114.554 0.038 0.000 2.749 449 T HA 0.530 4.881 4.350 0.002 0.000 0.287 449 T C -0.230 174.484 174.700 0.023 0.000 0.970 449 T CA -0.299 61.826 62.100 0.041 0.000 0.980 449 T CB 1.389 70.266 68.868 0.016 0.000 0.924 449 T HN 0.329 nan 8.240 nan 0.000 0.456 450 V N 4.819 124.783 119.914 0.084 0.000 2.417 450 V HA 0.462 4.583 4.120 0.002 0.000 0.291 450 V C 0.052 176.236 176.094 0.150 0.000 1.024 450 V CA -0.825 61.533 62.300 0.097 0.000 0.861 450 V CB 1.579 33.480 31.823 0.131 0.000 0.985 450 V HN 0.729 nan 8.190 nan 0.000 0.436 451 K N 3.437 123.876 120.400 0.066 0.000 2.259 451 K HA 0.686 5.007 4.320 0.002 0.000 0.249 451 K C -1.268 175.349 176.600 0.028 0.000 0.942 451 K CA -0.799 55.505 56.287 0.029 0.000 0.816 451 K CB 2.086 34.572 32.500 -0.023 0.000 1.155 451 K HN 0.902 nan 8.250 nan 0.000 0.428 452 D N 0.182 120.597 120.400 0.025 0.000 2.559 452 D HA 0.426 5.067 4.640 0.002 0.000 0.250 452 D C -1.397 174.864 176.300 -0.066 0.000 1.135 452 D CA -0.617 53.334 54.000 -0.081 0.000 0.955 452 D CB 1.803 42.573 40.800 -0.049 0.000 1.442 452 D HN 0.416 nan 8.370 nan 0.000 0.471 453 D N -1.291 119.023 120.400 -0.144 0.000 2.977 453 D HA 0.339 4.980 4.640 0.002 0.000 0.220 453 D C -2.090 174.278 176.300 0.113 0.000 1.267 453 D CA -0.549 53.447 54.000 -0.006 0.000 0.884 453 D CB 1.314 42.090 40.800 -0.039 0.000 1.667 453 D HN 0.348 nan 8.370 nan 0.000 0.536 454 Y N 3.579 123.925 120.300 0.078 0.000 2.328 454 Y HA 0.519 5.070 4.550 0.001 0.000 0.337 454 Y C -1.045 174.886 175.900 0.053 0.000 0.966 454 Y CA -0.984 57.196 58.100 0.134 0.000 1.136 454 Y CB 1.215 39.767 38.460 0.154 0.000 1.170 454 Y HN 0.357 nan 8.280 nan 0.000 0.470 455 N N 8.764 127.120 118.700 -0.573 0.000 2.546 455 N HA 0.291 5.032 4.740 0.002 0.000 0.238 455 N C -2.230 172.857 175.510 -0.707 0.000 0.984 455 N CA -2.539 50.221 53.050 -0.483 0.000 0.935 455 N CB 1.616 39.963 38.487 -0.233 0.000 1.122 455 N HN 0.402 nan 8.380 nan 0.000 0.510 456 P HA -0.078 nan 4.420 nan 0.000 0.219 456 P C 0.621 177.810 177.300 -0.186 0.000 1.150 456 P CA 1.128 64.010 63.100 -0.364 0.000 0.814 456 P CB 0.619 32.246 31.700 -0.121 0.000 0.787 457 E N -0.348 119.764 120.200 -0.147 0.000 2.153 457 E HA -0.106 4.245 4.350 0.002 0.000 0.194 457 E C 1.451 178.008 176.600 -0.072 0.000 0.988 457 E CA 1.886 58.236 56.400 -0.083 0.000 0.811 457 E CB -0.384 29.276 29.700 -0.067 0.000 0.746 457 E HN 0.406 nan 8.360 nan 0.000 0.466 458 T N -2.519 111.973 114.554 -0.103 0.000 3.044 458 T HA 0.124 4.475 4.350 0.002 0.000 0.260 458 T C 0.074 174.751 174.700 -0.039 0.000 1.019 458 T CA -0.293 61.773 62.100 -0.057 0.000 0.921 458 T CB 0.175 69.012 68.868 -0.053 0.000 1.053 458 T HN 0.060 nan 8.240 nan 0.000 0.533 459 E N 1.271 121.419 120.200 -0.086 0.000 2.297 459 E HA -0.197 4.154 4.350 0.002 0.000 0.228 459 E C -0.632 176.011 176.600 0.070 0.000 1.213 459 E CA 0.369 56.767 56.400 -0.002 0.000 0.712 459 E CB -1.590 28.181 29.700 0.118 0.000 1.202 459 E HN 0.729 nan 8.360 nan 0.000 0.376 460 Q N 0.082 119.867 119.800 -0.024 0.000 2.365 460 Q HA 0.539 4.879 4.340 0.002 0.000 0.269 460 Q C -1.114 175.020 176.000 0.223 0.000 1.061 460 Q CA -0.763 55.108 55.803 0.113 0.000 0.816 460 Q CB 1.944 30.705 28.738 0.039 0.000 1.325 460 Q HN 0.265 nan 8.270 nan 0.000 0.446 461 Y N 0.895 121.339 120.300 0.240 0.000 2.364 461 Y HA 0.427 4.978 4.550 0.001 0.000 0.340 461 Y C -1.023 175.055 175.900 0.297 0.000 0.975 461 Y CA -0.354 57.930 58.100 0.308 0.000 1.089 461 Y CB 1.766 40.422 38.460 0.326 0.000 1.192 461 Y HN 0.468 nan 8.280 nan 0.000 0.454 462 T N 7.542 121.947 114.554 -0.249 0.000 2.812 462 T HA 0.513 4.864 4.350 0.002 0.000 0.282 462 T C -0.824 173.687 174.700 -0.314 0.000 0.990 462 T CA -0.582 61.417 62.100 -0.169 0.000 0.960 462 T CB 0.613 69.419 68.868 -0.103 0.000 0.948 462 T HN 0.503 nan 8.240 nan 0.000 0.438 463 L N 3.113 124.297 121.223 -0.065 0.000 2.296 463 L HA 0.491 4.832 4.340 0.002 0.000 0.286 463 L C 0.129 177.059 176.870 0.099 0.000 1.023 463 L CA -0.680 54.167 54.840 0.012 0.000 0.812 463 L CB 1.610 43.769 42.059 0.167 0.000 1.223 463 L HN 0.589 nan 8.230 nan 0.000 0.421 464 T N 4.830 119.402 114.554 0.029 0.000 2.770 464 T HA 0.555 4.906 4.350 0.002 0.000 0.297 464 T C -0.077 174.632 174.700 0.015 0.000 0.997 464 T CA -0.209 61.903 62.100 0.019 0.000 0.949 464 T CB 0.562 69.416 68.868 -0.023 0.000 0.941 464 T HN 0.263 nan 8.240 nan 0.000 0.457 465 I N 3.440 124.029 120.570 0.033 0.000 2.404 465 I HA 0.526 4.697 4.170 0.002 0.000 0.293 465 I C 0.399 176.498 176.117 -0.031 0.000 0.992 465 I CA -0.664 60.609 61.300 -0.045 0.000 1.149 465 I CB 1.759 39.681 38.000 -0.131 0.000 1.315 465 I HN 0.621 nan 8.210 nan 0.000 0.446 466 S N 5.105 120.780 115.700 -0.042 0.000 2.632 466 S HA 0.784 5.255 4.470 0.002 0.000 0.289 466 S C -1.054 173.534 174.600 -0.020 0.000 1.115 466 S CA -0.822 57.363 58.200 -0.026 0.000 0.889 466 S CB 2.322 65.509 63.200 -0.022 0.000 1.116 466 S HN 0.670 nan 8.310 nan 0.000 0.486 467 Q N 0.187 119.979 119.800 -0.013 0.000 2.421 467 Q HA 0.811 5.152 4.340 0.002 0.000 0.280 467 Q C -1.165 174.823 176.000 -0.019 0.000 1.085 467 Q CA -1.179 54.619 55.803 -0.009 0.000 0.807 467 Q CB 2.181 30.916 28.738 -0.005 0.000 1.405 467 Q HN 0.963 nan 8.270 nan 0.000 0.419 468 R N -0.392 120.095 120.500 -0.023 0.000 2.692 468 R HA 0.657 4.998 4.340 0.002 0.000 0.269 468 R C -1.546 174.727 176.300 -0.045 0.000 1.030 468 R CA -0.794 55.285 56.100 -0.035 0.000 0.882 468 R CB 1.871 32.155 30.300 -0.026 0.000 1.250 468 R HN 0.568 nan 8.270 nan 0.000 0.465 469 T N 3.055 117.576 114.554 -0.056 0.000 2.809 469 T HA 0.423 4.774 4.350 0.002 0.000 0.284 469 T C -2.535 172.139 174.700 -0.043 0.000 0.992 469 T CA -1.372 60.691 62.100 -0.062 0.000 0.957 469 T CB 1.670 70.486 68.868 -0.088 0.000 0.942 469 T HN 0.429 nan 8.240 nan 0.000 0.439 470 P HA 0.330 nan 4.420 nan 0.000 0.269 470 P C -0.318 176.972 177.300 -0.016 0.000 1.215 470 P CA -0.534 62.553 63.100 -0.022 0.000 0.780 470 P CB 0.320 32.010 31.700 -0.018 0.000 0.898 471 A N 1.941 124.757 122.820 -0.007 0.000 2.547 471 A HA 0.422 4.743 4.320 0.002 0.000 0.233 471 A C 0.665 178.256 177.584 0.011 0.000 1.067 471 A CA 0.553 52.592 52.037 0.003 0.000 0.763 471 A CB -0.730 18.275 19.000 0.008 0.000 1.007 471 A HN 0.669 nan 8.150 nan 0.000 0.506 472 T N -1.114 113.453 114.554 0.022 0.000 2.926 472 T HA 0.621 4.972 4.350 0.002 0.000 0.289 472 T C -2.257 172.472 174.700 0.048 0.000 1.054 472 T CA -1.533 60.588 62.100 0.035 0.000 1.015 472 T CB 1.299 70.192 68.868 0.041 0.000 1.167 472 T HN 0.259 nan 8.240 nan 0.000 0.526 473 P HA -0.065 nan 4.420 nan 0.000 0.219 473 P C 1.069 178.417 177.300 0.078 0.000 1.146 473 P CA 1.021 64.159 63.100 0.063 0.000 0.808 473 P CB 0.037 31.777 31.700 0.067 0.000 0.779 474 D N -2.047 118.410 120.400 0.095 0.000 2.354 474 D HA -0.024 4.617 4.640 0.002 0.000 0.209 474 D C 0.385 176.745 176.300 0.101 0.000 1.015 474 D CA 0.521 54.591 54.000 0.117 0.000 0.867 474 D CB 0.039 40.935 40.800 0.160 0.000 0.933 474 D HN 0.228 nan 8.370 nan 0.000 0.520 475 Q N -0.351 119.494 119.800 0.076 0.000 2.263 475 Q HA 0.580 4.920 4.340 0.002 0.000 0.262 475 Q C -0.437 175.587 176.000 0.039 0.000 0.984 475 Q CA -0.486 55.353 55.803 0.060 0.000 0.813 475 Q CB 2.421 31.194 28.738 0.057 0.000 1.299 475 Q HN 0.043 nan 8.270 nan 0.000 0.428 476 A N 2.102 124.942 122.820 0.033 0.000 2.072 476 A HA -0.002 4.319 4.320 0.002 0.000 0.216 476 A C 0.603 178.194 177.584 0.011 0.000 1.156 476 A CA 0.796 52.846 52.037 0.021 0.000 0.701 476 A CB 0.348 19.360 19.000 0.020 0.000 0.816 476 A HN 0.590 nan 8.150 nan 0.000 0.458 477 E N 1.009 121.215 120.200 0.010 0.000 2.156 477 E HA 0.384 4.735 4.350 0.002 0.000 0.279 477 E C -1.094 175.502 176.600 -0.007 0.000 0.965 477 E CA -0.427 55.973 56.400 -0.000 0.000 0.789 477 E CB 0.588 30.288 29.700 0.000 0.000 1.098 477 E HN 0.045 nan 8.360 nan 0.000 0.397 478 K N 2.911 123.300 120.400 -0.018 0.000 2.469 478 K HA 0.427 4.748 4.320 0.002 0.000 0.254 478 K C -0.593 175.983 176.600 -0.041 0.000 0.939 478 K CA -0.724 55.543 56.287 -0.034 0.000 0.812 478 K CB 2.229 34.706 32.500 -0.039 0.000 1.301 478 K HN 0.560 nan 8.250 nan 0.000 0.433 479 Q N 0.901 120.668 119.800 -0.055 0.000 2.484 479 Q HA 0.487 4.828 4.340 0.002 0.000 0.285 479 Q C -2.451 173.514 176.000 -0.059 0.000 1.097 479 Q CA -2.158 53.616 55.803 -0.049 0.000 0.802 479 Q CB 2.152 30.867 28.738 -0.037 0.000 1.444 479 Q HN 0.265 nan 8.270 nan 0.000 0.429 480 P HA 0.074 nan 4.420 nan 0.000 0.269 480 P C -0.806 176.521 177.300 0.045 0.000 1.209 480 P CA 0.292 63.389 63.100 -0.006 0.000 0.776 480 P CB 0.529 32.251 31.700 0.038 0.000 0.876 481 L N 1.088 122.219 121.223 -0.152 0.000 2.335 481 L HA 0.392 4.733 4.340 0.002 0.000 0.268 481 L C 0.971 177.610 176.870 -0.386 0.000 1.016 481 L CA -0.925 53.651 54.840 -0.438 0.000 0.805 481 L CB 0.663 42.112 42.059 -1.016 0.000 1.311 481 L HN 0.471 nan 8.230 nan 0.000 0.456 482 H N 1.472 120.155 119.070 -0.645 0.000 2.872 482 H HA 0.414 4.971 4.556 0.001 0.000 0.273 482 H C -0.849 174.649 175.328 0.284 0.000 1.205 482 H CA -0.571 55.341 56.048 -0.226 0.000 1.342 482 H CB 0.301 29.988 29.762 -0.125 0.000 1.469 482 H HN 0.335 nan 8.280 nan 0.000 0.487 483 I N 8.041 128.920 120.570 0.515 0.000 2.307 483 I HA 0.209 4.380 4.170 0.002 0.000 0.289 483 I C -2.258 174.141 176.117 0.470 0.000 1.021 483 I CA -2.344 59.272 61.300 0.527 0.000 1.224 483 I CB 1.503 39.741 38.000 0.396 0.000 1.376 483 I HN 0.531 nan 8.210 nan 0.000 0.470 484 P HA 0.099 nan 4.420 nan 0.000 0.275 484 P C -0.821 176.616 177.300 0.228 0.000 1.276 484 P CA 0.037 63.286 63.100 0.248 0.000 0.782 484 P CB 0.084 31.848 31.700 0.107 0.000 0.851 485 F N 3.943 123.934 119.950 0.069 0.000 2.359 485 F HA 0.590 5.118 4.527 0.001 0.000 0.369 485 F C -0.116 175.683 175.800 -0.001 0.000 1.084 485 F CA -0.829 57.188 58.000 0.029 0.000 1.096 485 F CB 0.631 39.636 39.000 0.008 0.000 1.335 485 F HN 0.288 nan 8.300 nan 0.000 0.457 486 A N 7.429 130.103 122.820 -0.243 0.000 2.331 486 A HA 0.701 5.022 4.320 0.002 0.000 0.283 486 A C -0.415 177.058 177.584 -0.184 0.000 1.142 486 A CA -0.439 51.518 52.037 -0.134 0.000 0.812 486 A CB 0.154 19.099 19.000 -0.092 0.000 1.074 486 A HN 0.833 nan 8.150 nan 0.000 0.497 487 I N -1.409 119.117 120.570 -0.073 0.000 2.934 487 I HA 0.833 5.004 4.170 0.002 0.000 0.306 487 I C -0.760 175.313 176.117 -0.074 0.000 1.110 487 I CA -0.833 60.434 61.300 -0.056 0.000 1.019 487 I CB 2.389 40.381 38.000 -0.013 0.000 1.227 487 I HN 0.595 nan 8.210 nan 0.000 0.434 488 E N 3.748 123.910 120.200 -0.063 0.000 2.293 488 E HA 0.619 4.970 4.350 0.002 0.000 0.270 488 E C -1.575 174.886 176.600 -0.231 0.000 0.879 488 E CA -0.774 55.519 56.400 -0.178 0.000 0.756 488 E CB 3.163 32.774 29.700 -0.149 0.000 1.208 488 E HN 0.488 nan 8.360 nan 0.000 0.428 489 L N 3.140 124.126 121.223 -0.394 0.000 2.313 489 L HA 0.489 4.830 4.340 0.002 0.000 0.283 489 L C -1.136 175.468 176.870 -0.443 0.000 1.013 489 L CA -0.826 53.791 54.840 -0.372 0.000 0.816 489 L CB 0.639 42.427 42.059 -0.450 0.000 1.236 489 L HN 0.502 nan 8.230 nan 0.000 0.419 490 Y N 0.866 121.104 120.300 -0.103 0.000 2.377 490 Y HA 0.255 4.806 4.550 0.002 0.000 0.339 490 Y C 0.360 176.219 175.900 -0.070 0.000 1.011 490 Y CA -0.955 57.141 58.100 -0.007 0.000 1.093 490 Y CB 1.492 40.076 38.460 0.207 0.000 1.201 490 Y HN 0.619 nan 8.280 nan 0.000 0.455 491 D N 0.271 120.727 120.400 0.094 0.000 2.478 491 D HA -0.013 4.628 4.640 0.002 0.000 0.274 491 D C 0.763 177.044 176.300 -0.031 0.000 1.234 491 D CA -0.500 53.499 54.000 -0.002 0.000 1.069 491 D CB 0.336 41.152 40.800 0.028 0.000 1.113 491 D HN 0.550 nan 8.370 nan 0.000 0.571 492 N N -0.324 118.148 118.700 -0.381 0.000 2.512 492 N HA -0.159 4.581 4.740 0.002 0.000 0.183 492 N C 0.432 175.870 175.510 -0.120 0.000 1.073 492 N CA 0.677 53.532 53.050 -0.326 0.000 0.911 492 N CB -0.194 37.804 38.487 -0.815 0.000 0.964 492 N HN 0.509 nan 8.380 nan 0.000 0.447 493 E N -0.256 119.856 120.200 -0.146 0.000 2.474 493 E HA 0.124 4.474 4.350 0.002 0.000 0.195 493 E C 0.613 177.031 176.600 -0.305 0.000 1.039 493 E CA 0.340 56.642 56.400 -0.164 0.000 0.881 493 E CB 0.162 29.797 29.700 -0.107 0.000 0.970 493 E HN 0.539 nan 8.360 nan 0.000 0.486 494 G N 2.284 110.941 108.800 -0.237 0.000 2.137 494 G HA2 -0.280 3.681 3.960 0.002 0.000 0.237 494 G HA3 -0.280 3.681 3.960 0.002 0.000 0.237 494 G C 0.080 175.049 174.900 0.114 0.000 1.002 494 G CA 0.286 45.184 45.100 -0.337 0.000 0.702 494 G HN 0.169 nan 8.290 nan 0.000 0.515 495 K N -0.366 120.117 120.400 0.139 0.000 2.123 495 K HA 0.638 4.959 4.320 0.002 0.000 0.248 495 K C 0.436 177.075 176.600 0.065 0.000 0.969 495 K CA -0.958 55.404 56.287 0.124 0.000 0.882 495 K CB 2.329 34.874 32.500 0.075 0.000 1.080 495 K HN 0.001 nan 8.250 nan 0.000 0.441 496 V N 3.265 123.149 119.914 -0.050 0.000 2.555 496 V HA 0.099 4.220 4.120 0.002 0.000 0.286 496 V C 0.304 176.325 176.094 -0.121 0.000 1.044 496 V CA -0.208 61.943 62.300 -0.249 0.000 1.026 496 V CB 0.386 32.066 31.823 -0.239 0.000 0.981 496 V HN 0.540 nan 8.190 nan 0.000 0.480 497 I N 7.397 127.849 120.570 -0.197 0.000 2.352 497 I HA 0.263 4.434 4.170 0.002 0.000 0.290 497 I C -2.031 174.024 176.117 -0.104 0.000 1.036 497 I CA -1.741 59.479 61.300 -0.133 0.000 1.336 497 I CB 1.146 38.958 38.000 -0.314 0.000 1.407 497 I HN 0.448 nan 8.210 nan 0.000 0.497 498 P HA 0.047 nan 4.420 nan 0.000 0.262 498 P C -0.618 176.688 177.300 0.010 0.000 1.182 498 P CA 0.108 63.216 63.100 0.013 0.000 0.761 498 P CB 0.322 32.063 31.700 0.069 0.000 0.795 499 L N 4.714 125.938 121.223 0.002 0.000 2.319 499 L HA 0.313 4.654 4.340 0.002 0.000 0.280 499 L C 0.873 177.856 176.870 0.187 0.000 1.099 499 L CA 0.208 55.083 54.840 0.059 0.000 0.828 499 L CB 0.208 42.277 42.059 0.017 0.000 1.150 499 L HN 0.552 nan 8.230 nan 0.000 0.442 500 Q N 3.161 123.135 119.800 0.291 0.000 2.633 500 Q HA 0.598 4.939 4.340 0.002 0.000 0.289 500 Q C -1.579 174.569 176.000 0.247 0.000 0.940 500 Q CA -1.221 54.725 55.803 0.240 0.000 0.785 500 Q CB 2.663 31.497 28.738 0.160 0.000 1.467 500 Q HN 0.389 nan 8.270 nan 0.000 0.401 501 K N -0.111 120.390 120.400 0.169 0.000 2.565 501 K HA 0.479 4.800 4.320 0.002 0.000 0.251 501 K C -0.248 176.399 176.600 0.079 0.000 0.956 501 K CA 0.090 56.441 56.287 0.106 0.000 0.809 501 K CB 1.570 34.105 32.500 0.057 0.000 1.267 501 K HN 1.114 nan 8.250 nan 0.000 0.438 502 G N 2.460 111.281 108.800 0.034 0.000 2.305 502 G HA2 -0.220 3.741 3.960 0.002 0.000 0.287 502 G HA3 -0.220 3.741 3.960 0.002 0.000 0.287 502 G C 0.748 175.568 174.900 -0.133 0.000 1.036 502 G CA 0.811 45.903 45.100 -0.013 0.000 0.887 502 G HN 1.496 nan 8.290 nan 0.000 0.505 503 G N -1.968 106.764 108.800 -0.115 0.000 2.184 503 G HA2 -0.260 3.701 3.960 0.002 0.000 0.264 503 G HA3 -0.260 3.701 3.960 0.002 0.000 0.264 503 G C 0.130 174.855 174.900 -0.293 0.000 0.975 503 G CA 1.134 46.106 45.100 -0.213 0.000 0.642 503 G HN 1.467 nan 8.290 nan 0.000 0.536 504 H N 0.714 119.819 119.070 0.058 0.000 2.489 504 H HA 0.491 5.047 4.556 0.001 0.000 0.343 504 H C -2.344 173.031 175.328 0.079 0.000 1.086 504 H CA -2.129 53.955 56.048 0.059 0.000 1.198 504 H CB 1.989 31.781 29.762 0.049 0.000 1.490 504 H HN 0.114 nan 8.280 nan 0.000 0.504 505 P HA -0.027 nan 4.420 nan 0.000 0.268 505 P C -0.755 176.643 177.300 0.164 0.000 1.208 505 P CA -0.090 63.103 63.100 0.156 0.000 0.777 505 P CB 0.793 32.563 31.700 0.116 0.000 0.875 506 V N 2.303 122.320 119.914 0.173 0.000 2.709 506 V HA 0.258 4.379 4.120 0.002 0.000 0.308 506 V C 0.225 176.416 176.094 0.162 0.000 1.062 506 V CA -0.916 61.502 62.300 0.198 0.000 0.901 506 V CB 1.870 33.877 31.823 0.306 0.000 1.003 506 V HN 0.573 nan 8.190 nan 0.000 0.425 507 N N 2.142 120.925 118.700 0.138 0.000 2.454 507 N HA -0.029 4.712 4.740 0.002 0.000 0.260 507 N C 1.169 176.747 175.510 0.112 0.000 1.218 507 N CA 0.680 53.792 53.050 0.105 0.000 0.904 507 N CB 1.411 39.953 38.487 0.093 0.000 1.065 507 N HN 0.842 nan 8.380 nan 0.000 0.462 508 S N 1.608 117.347 115.700 0.064 0.000 2.593 508 S HA 0.046 4.517 4.470 0.002 0.000 0.217 508 S C 0.570 175.192 174.600 0.037 0.000 0.966 508 S CA -0.375 57.846 58.200 0.036 0.000 0.914 508 S CB 0.087 63.276 63.200 -0.019 0.000 0.776 508 S HN 0.259 nan 8.310 nan 0.000 0.523 509 V N 3.699 123.646 119.914 0.055 0.000 2.322 509 V HA 0.310 4.430 4.120 0.002 0.000 0.258 509 V C 0.083 176.239 176.094 0.103 0.000 1.074 509 V CA -0.510 61.828 62.300 0.063 0.000 0.909 509 V CB 0.234 32.089 31.823 0.054 0.000 1.090 509 V HN 0.494 nan 8.190 nan 0.000 0.486 510 L N 4.646 125.927 121.223 0.096 0.000 2.397 510 L HA 0.352 4.693 4.340 0.002 0.000 0.271 510 L C 0.643 177.617 176.870 0.174 0.000 1.148 510 L CA -0.216 54.645 54.840 0.036 0.000 0.825 510 L CB 0.356 42.202 42.059 -0.354 0.000 1.117 510 L HN 0.529 nan 8.230 nan 0.000 0.456 511 N N 2.658 121.513 118.700 0.258 0.000 2.482 511 N HA 0.126 4.867 4.740 0.002 0.000 0.242 511 N C -0.690 175.014 175.510 0.322 0.000 1.100 511 N CA -0.118 53.117 53.050 0.308 0.000 0.946 511 N CB 1.430 40.053 38.487 0.225 0.000 1.227 511 N HN 0.246 nan 8.380 nan 0.000 0.508 512 V N 2.513 122.610 119.914 0.306 0.000 2.339 512 V HA 0.097 4.217 4.120 0.002 0.000 0.261 512 V C 1.474 177.676 176.094 0.180 0.000 1.058 512 V CA -0.051 62.409 62.300 0.266 0.000 0.897 512 V CB 0.325 32.244 31.823 0.161 0.000 1.052 512 V HN 0.654 nan 8.190 nan 0.000 0.480 513 T N 0.748 115.375 114.554 0.123 0.000 3.044 513 T HA 0.310 4.661 4.350 0.002 0.000 0.260 513 T C 0.452 175.252 174.700 0.167 0.000 1.019 513 T CA -0.065 62.114 62.100 0.133 0.000 0.921 513 T CB 0.311 69.229 68.868 0.084 0.000 1.053 513 T HN 0.530 nan 8.240 nan 0.000 0.533 514 Q N -0.483 119.362 119.800 0.075 0.000 2.378 514 Q HA 0.772 5.113 4.340 0.002 0.000 0.276 514 Q C 1.216 177.223 176.000 0.013 0.000 1.083 514 Q CA -0.549 55.269 55.803 0.024 0.000 0.856 514 Q CB 1.840 30.565 28.738 -0.021 0.000 1.383 514 Q HN 0.149 nan 8.270 nan 0.000 0.458 515 A N 0.767 123.580 122.820 -0.010 0.000 1.948 515 A HA -0.172 4.149 4.320 0.002 0.000 0.220 515 A C 0.538 178.109 177.584 -0.021 0.000 1.177 515 A CA 1.738 53.764 52.037 -0.018 0.000 0.636 515 A CB 0.015 18.998 19.000 -0.028 0.000 0.815 515 A HN 0.673 nan 8.150 nan 0.000 0.449 516 E N -1.710 118.472 120.200 -0.030 0.000 2.352 516 E HA 0.557 4.908 4.350 0.002 0.000 0.280 516 E C -1.435 175.126 176.600 -0.064 0.000 0.930 516 E CA -0.483 55.894 56.400 -0.039 0.000 0.765 516 E CB 1.176 30.850 29.700 -0.044 0.000 1.219 516 E HN 0.354 nan 8.360 nan 0.000 0.434 517 Q N 1.141 120.895 119.800 -0.076 0.000 2.527 517 Q HA 0.379 4.720 4.340 0.002 0.000 0.280 517 Q C -1.840 174.037 176.000 -0.206 0.000 0.977 517 Q CA -0.572 55.120 55.803 -0.185 0.000 0.837 517 Q CB 2.564 31.192 28.738 -0.185 0.000 1.454 517 Q HN 0.496 nan 8.270 nan 0.000 0.387 518 T N 2.271 116.607 114.554 -0.363 0.000 2.829 518 T HA 0.689 5.039 4.350 0.002 0.000 0.280 518 T C -1.393 173.029 174.700 -0.463 0.000 0.999 518 T CA -0.231 61.718 62.100 -0.253 0.000 0.983 518 T CB 0.367 69.130 68.868 -0.175 0.000 0.968 518 T HN 0.302 nan 8.240 nan 0.000 0.446 519 F N 1.501 121.386 119.950 -0.108 0.000 2.520 519 F HA 0.663 5.191 4.527 0.001 0.000 0.322 519 F C -0.229 175.377 175.800 -0.323 0.000 1.103 519 F CA -1.088 56.782 58.000 -0.217 0.000 0.926 519 F CB 1.766 40.682 39.000 -0.141 0.000 1.154 519 F HN 0.151 nan 8.300 nan 0.000 0.453 520 V N 3.593 123.303 119.914 -0.339 0.000 2.448 520 V HA 0.458 4.579 4.120 0.002 0.000 0.295 520 V C -0.791 174.998 176.094 -0.507 0.000 1.025 520 V CA -0.915 61.221 62.300 -0.274 0.000 0.859 520 V CB 1.465 33.206 31.823 -0.136 0.000 0.988 520 V HN 0.496 nan 8.190 nan 0.000 0.431 521 F N 1.872 121.929 119.950 0.177 0.000 2.480 521 F HA 0.610 5.138 4.527 0.001 0.000 0.329 521 F C 0.331 176.218 175.800 0.144 0.000 1.091 521 F CA -0.735 57.368 58.000 0.172 0.000 0.972 521 F CB 1.475 40.600 39.000 0.209 0.000 1.150 521 F HN 0.374 nan 8.300 nan 0.000 0.467 522 D N 0.563 121.117 120.400 0.257 0.000 2.385 522 D HA 0.257 4.897 4.640 0.002 0.000 0.254 522 D C 0.085 176.493 176.300 0.180 0.000 1.053 522 D CA -0.292 53.810 54.000 0.170 0.000 0.992 522 D CB 0.836 41.703 40.800 0.112 0.000 1.145 522 D HN 0.579 nan 8.370 nan 0.000 0.523 523 N N -0.756 118.037 118.700 0.154 0.000 2.747 523 N HA -0.150 4.591 4.740 0.002 0.000 0.249 523 N C -0.784 174.831 175.510 0.175 0.000 1.107 523 N CA 0.047 53.201 53.050 0.173 0.000 0.707 523 N CB -0.747 37.837 38.487 0.161 0.000 1.054 523 N HN 0.077 nan 8.380 nan 0.000 0.555 524 V N 2.731 122.743 119.914 0.163 0.000 2.313 524 V HA 0.027 4.148 4.120 0.002 0.000 0.252 524 V C 0.999 177.125 176.094 0.054 0.000 1.112 524 V CA -0.240 62.089 62.300 0.048 0.000 0.984 524 V CB -0.720 31.211 31.823 0.179 0.000 1.157 524 V HN 0.301 nan 8.190 nan 0.000 0.493 525 Y N 2.469 122.880 120.300 0.186 0.000 2.529 525 Y HA 0.475 5.025 4.550 0.001 0.000 0.290 525 Y C 0.057 176.120 175.900 0.271 0.000 1.177 525 Y CA -1.057 57.166 58.100 0.205 0.000 1.305 525 Y CB -0.388 38.163 38.460 0.151 0.000 1.047 525 Y HN 0.377 nan 8.280 nan 0.000 0.522 526 F N 0.990 120.809 119.950 -0.219 0.000 2.641 526 F HA 0.330 4.858 4.527 0.001 0.000 0.308 526 F C -0.592 174.835 175.800 -0.622 0.000 1.105 526 F CA -1.810 56.074 58.000 -0.194 0.000 0.964 526 F CB 1.530 40.490 39.000 -0.067 0.000 1.294 526 F HN -0.184 nan 8.300 nan 0.000 0.442 527 Q N 6.454 125.509 119.800 -1.242 0.000 2.242 527 Q HA 0.163 4.504 4.340 0.002 0.000 0.284 527 Q C -2.343 173.364 176.000 -0.489 0.000 1.130 527 Q CA -1.310 53.757 55.803 -1.227 0.000 0.940 527 Q CB 0.498 28.730 28.738 -0.844 0.000 1.146 527 Q HN 0.178 nan 8.270 nan 0.000 0.388 528 P HA 0.080 nan 4.420 nan 0.000 0.282 528 P C -1.004 176.149 177.300 -0.245 0.000 1.249 528 P CA -0.349 62.525 63.100 -0.378 0.000 0.806 528 P CB 1.114 32.433 31.700 -0.636 0.000 0.984 529 V N 4.732 124.544 119.914 -0.169 0.000 2.385 529 V HA 0.238 4.359 4.120 0.002 0.000 0.269 529 V C -1.797 174.364 176.094 0.112 0.000 1.043 529 V CA -1.607 60.652 62.300 -0.068 0.000 0.906 529 V CB 0.715 32.356 31.823 -0.304 0.000 0.995 529 V HN 0.583 nan 8.190 nan 0.000 0.467 530 P HA 0.421 nan 4.420 nan 0.000 0.284 530 P C -0.833 176.677 177.300 0.351 0.000 1.253 530 P CA -0.424 62.761 63.100 0.141 0.000 0.800 530 P CB 1.594 33.309 31.700 0.026 0.000 0.961 531 A N 4.637 127.657 122.820 0.333 0.000 2.260 531 A HA 0.598 4.919 4.320 0.002 0.000 0.314 531 A C -0.240 177.466 177.584 0.204 0.000 1.257 531 A CA -0.684 51.551 52.037 0.330 0.000 0.871 531 A CB -0.017 19.194 19.000 0.353 0.000 1.166 531 A HN 0.514 nan 8.150 nan 0.000 0.522 532 L N 2.341 123.706 121.223 0.236 0.000 2.334 532 L HA 0.478 4.819 4.340 0.002 0.000 0.276 532 L C 0.142 176.955 176.870 -0.095 0.000 1.014 532 L CA -1.015 53.858 54.840 0.055 0.000 0.815 532 L CB 1.601 43.742 42.059 0.136 0.000 1.268 532 L HN 0.754 nan 8.230 nan 0.000 0.428 533 L N 2.523 123.369 121.223 -0.627 0.000 3.634 533 L HA -0.223 4.118 4.340 0.002 0.000 0.423 533 L C -0.101 176.708 176.870 -0.102 0.000 1.253 533 L CA 0.193 54.718 54.840 -0.526 0.000 0.885 533 L CB -1.182 40.742 42.059 -0.225 0.000 1.789 533 L HN 0.721 nan 8.230 nan 0.000 0.904 534 C N 1.012 120.267 119.300 -0.075 0.000 2.597 534 C HA 0.099 4.560 4.460 0.002 0.000 0.412 534 C C 1.913 176.906 174.990 0.005 0.000 1.348 534 C CA 0.344 59.407 59.018 0.075 0.000 1.769 534 C CB -0.008 27.772 27.740 0.066 0.000 2.641 534 C HN 0.834 nan 8.230 nan 0.000 0.612 535 E N 0.031 120.225 120.200 -0.009 0.000 2.805 535 E HA -0.289 4.062 4.350 0.002 0.000 0.266 535 E C 0.088 176.417 176.600 -0.451 0.000 1.092 535 E CA 0.702 56.820 56.400 -0.469 0.000 0.781 535 E CB -1.263 28.301 29.700 -0.226 0.000 1.379 535 E HN 0.841 nan 8.360 nan 0.000 0.433 536 F N -0.168 119.566 119.950 -0.359 0.000 2.695 536 F HA -0.280 4.248 4.527 0.002 0.000 0.305 536 F C 1.167 176.895 175.800 -0.120 0.000 1.044 536 F CA 0.915 58.838 58.000 -0.129 0.000 1.049 536 F CB -1.405 37.507 39.000 -0.146 0.000 1.267 536 F HN 0.151 nan 8.300 nan 0.000 0.828 537 S N 0.903 116.487 115.700 -0.193 0.000 2.603 537 S HA 0.655 5.126 4.470 0.002 0.000 0.220 537 S C 0.745 175.210 174.600 -0.224 0.000 0.967 537 S CA 0.328 58.418 58.200 -0.182 0.000 0.920 537 S CB 0.297 63.415 63.200 -0.136 0.000 0.773 537 S HN 1.587 nan 8.310 nan 0.000 0.529 538 A N 1.561 124.165 122.820 -0.360 0.000 2.594 538 A HA 0.705 5.026 4.320 0.002 0.000 0.295 538 A C -3.228 173.979 177.584 -0.628 0.000 1.071 538 A CA -1.763 50.070 52.037 -0.340 0.000 0.685 538 A CB 1.098 20.090 19.000 -0.014 0.000 1.285 538 A HN 0.117 nan 8.150 nan 0.000 0.405 539 P HA 0.360 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 0.113 63.040 63.100 -0.289 0.000 1.088 539 P CB -0.109 31.620 31.700 0.049 0.000 1.923 540 V N -0.429 119.557 119.914 0.120 0.000 3.102 540 V HA 0.595 4.716 4.120 0.002 0.000 0.312 540 V C -0.290 176.024 176.094 0.366 0.000 1.135 540 V CA -1.546 60.881 62.300 0.212 0.000 1.022 540 V CB 2.469 34.420 31.823 0.213 0.000 1.056 540 V HN -0.021 nan 8.190 nan 0.000 0.436 541 K N 1.973 122.502 120.400 0.215 0.000 2.234 541 K HA 0.591 4.912 4.320 0.002 0.000 0.282 541 K C -0.939 175.829 176.600 0.281 0.000 1.039 541 K CA -0.485 55.983 56.287 0.303 0.000 0.928 541 K CB 1.480 34.074 32.500 0.156 0.000 1.039 541 K HN 0.613 nan 8.250 nan 0.000 0.470 542 L N 2.796 124.219 121.223 0.332 0.000 2.275 542 L HA 0.202 4.543 4.340 0.002 0.000 0.288 542 L C -0.737 176.295 176.870 0.270 0.000 1.046 542 L CA 0.215 55.253 54.840 0.330 0.000 0.805 542 L CB 0.979 43.280 42.059 0.403 0.000 1.193 542 L HN 0.565 nan 8.230 nan 0.000 0.426 543 E N 5.117 125.444 120.200 0.213 0.000 2.102 543 E HA 0.298 4.649 4.350 0.002 0.000 0.263 543 E C -1.896 174.800 176.600 0.160 0.000 0.894 543 E CA -0.376 56.118 56.400 0.156 0.000 0.746 543 E CB 1.435 31.188 29.700 0.088 0.000 1.129 543 E HN 0.541 nan 8.360 nan 0.000 0.416 544 Y N 1.538 121.806 120.300 -0.053 0.000 2.513 544 Y HA 0.243 4.794 4.550 0.002 0.000 0.340 544 Y C -1.059 174.666 175.900 -0.292 0.000 1.055 544 Y CA -1.023 56.923 58.100 -0.256 0.000 1.020 544 Y CB 1.483 39.636 38.460 -0.511 0.000 1.301 544 Y HN 0.181 nan 8.280 nan 0.000 0.453 545 K N 6.017 125.863 120.400 -0.923 0.000 2.180 545 K HA 0.156 4.477 4.320 0.002 0.000 0.250 545 K C -1.296 175.007 176.600 -0.494 0.000 1.135 545 K CA -0.249 55.718 56.287 -0.534 0.000 1.037 545 K CB 0.089 32.326 32.500 -0.439 0.000 1.624 545 K HN 0.628 nan 8.250 nan 0.000 0.382 546 W N 1.456 122.722 121.300 -0.057 0.000 2.150 546 W HA 0.006 4.667 4.660 0.001 0.000 0.341 546 W C 1.039 177.586 176.519 0.046 0.000 1.276 546 W CA -0.523 56.894 57.345 0.119 0.000 1.238 546 W CB 0.641 30.215 29.460 0.190 0.000 1.128 546 W HN 0.382 nan 8.180 nan 0.000 0.581 547 S N 0.631 116.543 115.700 0.354 0.000 2.646 547 S HA 0.135 4.606 4.470 0.002 0.000 0.276 547 S C 0.561 175.291 174.600 0.216 0.000 1.222 547 S CA -0.694 57.637 58.200 0.218 0.000 1.014 547 S CB 1.478 64.763 63.200 0.142 0.000 0.991 547 S HN 0.521 nan 8.310 nan 0.000 0.533 548 D N 1.335 121.843 120.400 0.180 0.000 2.172 548 D HA -0.159 4.482 4.640 0.002 0.000 0.196 548 D C 2.033 178.393 176.300 0.100 0.000 0.999 548 D CA 1.937 56.043 54.000 0.176 0.000 0.856 548 D CB -0.277 40.677 40.800 0.258 0.000 0.934 548 D HN 0.785 nan 8.370 nan 0.000 0.453 549 Q N -0.097 119.743 119.800 0.067 0.000 2.172 549 Q HA -0.058 4.283 4.340 0.002 0.000 0.200 549 Q C 2.193 178.256 176.000 0.105 0.000 0.964 549 Q CA 0.680 56.514 55.803 0.053 0.000 0.855 549 Q CB -0.123 28.629 28.738 0.023 0.000 0.918 549 Q HN 0.389 nan 8.270 nan 0.000 0.444 550 Q N 0.702 120.578 119.800 0.127 0.000 2.061 550 Q HA -0.150 4.191 4.340 0.002 0.000 0.204 550 Q C 2.139 178.200 176.000 0.101 0.000 0.984 550 Q CA 1.229 57.125 55.803 0.156 0.000 0.846 550 Q CB -0.131 28.829 28.738 0.370 0.000 0.902 550 Q HN 0.387 nan 8.270 nan 0.000 0.421 551 L N 0.130 121.357 121.223 0.006 0.000 2.027 551 L HA -0.173 4.168 4.340 0.002 0.000 0.206 551 L C 2.730 179.536 176.870 -0.106 0.000 1.074 551 L CA 1.618 56.351 54.840 -0.178 0.000 0.745 551 L CB -0.904 41.004 42.059 -0.251 0.000 0.898 551 L HN 0.387 nan 8.230 nan 0.000 0.433 552 T N -2.758 111.777 114.554 -0.031 0.000 2.915 552 T HA -0.229 4.122 4.350 0.002 0.000 0.269 552 T C 1.704 176.394 174.700 -0.018 0.000 1.071 552 T CA 0.918 62.980 62.100 -0.063 0.000 1.132 552 T CB -0.699 68.146 68.868 -0.038 0.000 0.878 552 T HN 0.314 nan 8.240 nan 0.000 0.479 553 F N 1.797 121.697 119.950 -0.084 0.000 2.146 553 F HA 0.150 4.678 4.527 0.001 0.000 0.298 553 F C 1.950 177.685 175.800 -0.108 0.000 1.096 553 F CA 0.880 58.861 58.000 -0.032 0.000 1.275 553 F CB -0.240 38.781 39.000 0.035 0.000 1.008 553 F HN 0.032 nan 8.300 nan 0.000 0.480 554 L N -0.075 121.233 121.223 0.142 0.000 2.083 554 L HA -0.262 4.078 4.340 0.002 0.000 0.209 554 L C 2.525 179.262 176.870 -0.222 0.000 1.083 554 L CA 1.384 56.169 54.840 -0.092 0.000 0.752 554 L CB -0.622 41.359 42.059 -0.131 0.000 0.899 554 L HN 0.285 nan 8.230 nan 0.000 0.433 555 M N -1.039 118.427 119.600 -0.224 0.000 2.149 555 M HA -0.242 4.239 4.480 0.002 0.000 0.261 555 M C 2.450 178.570 176.300 -0.300 0.000 1.064 555 M CA 1.706 56.852 55.300 -0.256 0.000 1.102 555 M CB -0.292 32.142 32.600 -0.276 0.000 1.369 555 M HN 0.160 nan 8.290 nan 0.000 0.408 556 R N -1.051 119.208 120.500 -0.402 0.000 2.080 556 R HA -0.060 4.281 4.340 0.002 0.000 0.222 556 R C 1.511 177.371 176.300 -0.733 0.000 1.107 556 R CA 0.974 56.719 56.100 -0.591 0.000 0.980 556 R CB 0.228 30.080 30.300 -0.747 0.000 0.879 556 R HN 0.433 nan 8.270 nan 0.000 0.439 557 H N -1.108 117.659 119.070 -0.505 0.000 2.827 557 H HA 0.307 4.864 4.556 0.002 0.000 0.269 557 H C -0.107 174.958 175.328 -0.438 0.000 1.031 557 H CA 0.253 55.994 56.048 -0.511 0.000 1.202 557 H CB 0.680 29.933 29.762 -0.847 0.000 1.511 557 H HN 0.149 nan 8.280 nan 0.000 0.517 558 A N 1.484 124.118 122.820 -0.311 0.000 2.498 558 A HA 0.072 4.393 4.320 0.002 0.000 0.239 558 A C 1.520 179.114 177.584 0.017 0.000 1.068 558 A CA -0.222 51.670 52.037 -0.242 0.000 0.766 558 A CB 0.533 19.461 19.000 -0.120 0.000 1.003 558 A HN 0.312 nan 8.150 nan 0.000 0.497 559 R N 1.083 121.719 120.500 0.226 0.000 2.083 559 R HA -0.105 4.236 4.340 0.002 0.000 0.237 559 R C 0.636 177.004 176.300 0.112 0.000 1.137 559 R CA 1.137 57.340 56.100 0.172 0.000 0.951 559 R CB -0.121 30.295 30.300 0.193 0.000 0.851 559 R HN 0.833 nan 8.270 nan 0.000 0.434 560 N N 1.061 119.842 118.700 0.135 0.000 2.499 560 N HA -0.043 4.698 4.740 0.002 0.000 0.281 560 N C -0.208 175.371 175.510 0.115 0.000 1.098 560 N CA -0.012 53.115 53.050 0.127 0.000 0.979 560 N CB 1.408 39.997 38.487 0.170 0.000 1.121 560 N HN -0.030 nan 8.380 nan 0.000 0.466 561 D N 2.164 122.621 120.400 0.094 0.000 2.182 561 D HA -0.172 4.469 4.640 0.002 0.000 0.201 561 D C 1.365 177.730 176.300 0.108 0.000 0.986 561 D CA 0.948 54.990 54.000 0.070 0.000 0.847 561 D CB -0.174 40.651 40.800 0.042 0.000 0.942 561 D HN 0.609 nan 8.370 nan 0.000 0.467 562 F N 1.487 121.474 119.950 0.061 0.000 2.134 562 F HA -0.196 4.332 4.527 0.002 0.000 0.299 562 F C 2.234 178.148 175.800 0.190 0.000 1.097 562 F CA 1.237 59.305 58.000 0.114 0.000 1.264 562 F CB -0.089 38.962 39.000 0.084 0.000 1.001 562 F HN -0.171 nan 8.300 nan 0.000 0.479 563 S N 0.407 116.204 115.700 0.161 0.000 2.402 563 S HA -0.110 4.361 4.470 0.002 0.000 0.229 563 S C 1.906 176.446 174.600 -0.100 0.000 1.021 563 S CA 0.990 59.221 58.200 0.052 0.000 0.974 563 S CB -0.298 62.984 63.200 0.137 0.000 0.800 563 S HN 0.407 nan 8.310 nan 0.000 0.484 564 R N -0.094 120.365 120.500 -0.068 0.000 2.066 564 R HA -0.107 4.234 4.340 0.002 0.000 0.232 564 R C 2.123 178.349 176.300 -0.123 0.000 1.131 564 R CA 1.614 57.647 56.100 -0.112 0.000 0.955 564 R CB -0.384 29.867 30.300 -0.081 0.000 0.851 564 R HN 0.528 nan 8.270 nan 0.000 0.432 565 W N 2.277 123.404 121.300 -0.288 0.000 2.342 565 W HA -0.216 4.445 4.660 0.001 0.000 0.297 565 W C 1.611 177.920 176.519 -0.351 0.000 1.213 565 W CA 1.821 58.990 57.345 -0.294 0.000 1.251 565 W CB -0.279 28.987 29.460 -0.323 0.000 1.136 565 W HN 0.044 nan 8.180 nan 0.000 0.526 566 D N -0.324 119.802 120.400 -0.458 0.000 2.194 566 D HA -0.091 4.550 4.640 0.002 0.000 0.204 566 D C 2.257 178.242 176.300 -0.525 0.000 0.964 566 D CA 1.725 55.330 54.000 -0.657 0.000 0.846 566 D CB -0.498 39.988 40.800 -0.524 0.000 0.962 566 D HN 0.120 nan 8.370 nan 0.000 0.490 567 A N 0.550 123.117 122.820 -0.421 0.000 1.933 567 A HA 0.013 4.334 4.320 0.002 0.000 0.218 567 A C 2.338 179.676 177.584 -0.411 0.000 1.175 567 A CA 2.034 53.802 52.037 -0.448 0.000 0.628 567 A CB -0.894 17.878 19.000 -0.380 0.000 0.814 567 A HN 0.282 nan 8.150 nan 0.000 0.444 568 A N -1.248 121.329 122.820 -0.406 0.000 1.969 568 A HA -0.134 4.187 4.320 0.002 0.000 0.218 568 A C 2.081 179.483 177.584 -0.302 0.000 1.169 568 A CA 1.608 53.447 52.037 -0.330 0.000 0.635 568 A CB -0.347 18.472 19.000 -0.301 0.000 0.810 568 A HN 0.474 nan 8.150 nan 0.000 0.445 569 Q N 0.158 119.627 119.800 -0.552 0.000 2.083 569 Q HA -0.059 4.282 4.340 0.002 0.000 0.198 569 Q C 2.351 178.182 176.000 -0.282 0.000 0.969 569 Q CA 1.769 57.269 55.803 -0.504 0.000 0.838 569 Q CB -0.784 27.455 28.738 -0.832 0.000 0.900 569 Q HN 0.639 nan 8.270 nan 0.000 0.436 570 S N 1.246 116.774 115.700 -0.286 0.000 2.402 570 S HA -0.095 4.376 4.470 0.002 0.000 0.229 570 S C 1.884 176.415 174.600 -0.115 0.000 1.021 570 S CA 0.609 58.701 58.200 -0.181 0.000 0.974 570 S CB -0.220 62.812 63.200 -0.280 0.000 0.800 570 S HN 0.197 nan 8.310 nan 0.000 0.484 571 L N 1.502 122.656 121.223 -0.115 0.000 2.017 571 L HA -0.016 4.325 4.340 0.002 0.000 0.208 571 L C 1.933 178.898 176.870 0.158 0.000 1.073 571 L CA 1.564 56.429 54.840 0.042 0.000 0.745 571 L CB -0.685 41.398 42.059 0.039 0.000 0.894 571 L HN 0.188 nan 8.230 nan 0.000 0.432 572 L N -0.435 120.853 121.223 0.107 0.000 2.093 572 L HA -0.049 4.292 4.340 0.002 0.000 0.208 572 L C 2.699 179.605 176.870 0.059 0.000 1.085 572 L CA 1.795 56.714 54.840 0.131 0.000 0.755 572 L CB -1.829 40.260 42.059 0.050 0.000 0.904 572 L HN 0.362 nan 8.230 nan 0.000 0.435 573 A N -0.938 121.867 122.820 -0.026 0.000 1.884 573 A HA -0.306 4.015 4.320 0.002 0.000 0.219 573 A C 2.342 179.860 177.584 -0.110 0.000 1.197 573 A CA 2.696 54.690 52.037 -0.071 0.000 0.637 573 A CB -1.158 17.793 19.000 -0.082 0.000 0.827 573 A HN 0.444 nan 8.150 nan 0.000 0.450 574 T N -1.226 113.227 114.554 -0.169 0.000 2.653 574 T HA -0.217 4.133 4.350 0.002 0.000 0.268 574 T C 1.685 176.113 174.700 -0.453 0.000 1.035 574 T CA 2.137 64.023 62.100 -0.356 0.000 1.154 574 T CB -0.476 68.065 68.868 -0.546 0.000 0.862 574 T HN 0.600 nan 8.240 nan 0.000 0.441 575 Y N 0.185 120.499 120.300 0.023 0.000 2.420 575 Y HA 0.292 4.843 4.550 0.001 0.000 0.292 575 Y C 2.108 178.030 175.900 0.036 0.000 1.119 575 Y CA -0.424 57.691 58.100 0.025 0.000 1.229 575 Y CB -0.480 37.985 38.460 0.008 0.000 1.026 575 Y HN 0.187 nan 8.280 nan 0.000 0.554 576 I N 0.096 120.739 120.570 0.122 0.000 2.179 576 I HA -0.309 3.862 4.170 0.002 0.000 0.242 576 I C 2.154 178.387 176.117 0.193 0.000 1.088 576 I CA 1.528 62.906 61.300 0.129 0.000 1.357 576 I CB -0.268 37.789 38.000 0.096 0.000 1.051 576 I HN 0.121 nan 8.210 nan 0.000 0.409 577 K N 0.270 120.731 120.400 0.102 0.000 2.057 577 K HA -0.189 4.132 4.320 0.002 0.000 0.206 577 K C 2.117 178.821 176.600 0.174 0.000 1.050 577 K CA 1.203 57.600 56.287 0.184 0.000 0.935 577 K CB -0.365 32.112 32.500 -0.038 0.000 0.715 577 K HN 0.151 nan 8.250 nan 0.000 0.439 578 L N 2.120 123.389 121.223 0.077 0.000 2.012 578 L HA -0.205 4.135 4.340 0.002 0.000 0.210 578 L C 1.581 178.524 176.870 0.123 0.000 1.073 578 L CA 1.835 56.728 54.840 0.089 0.000 0.748 578 L CB -0.459 41.654 42.059 0.090 0.000 0.891 578 L HN 0.172 nan 8.230 nan 0.000 0.431 579 N N -0.947 117.837 118.700 0.139 0.000 2.409 579 N HA -0.071 4.670 4.740 0.002 0.000 0.179 579 N C 1.829 177.407 175.510 0.113 0.000 1.032 579 N CA 1.287 54.409 53.050 0.121 0.000 0.898 579 N CB 0.035 38.587 38.487 0.108 0.000 0.971 579 N HN 0.290 nan 8.380 nan 0.000 0.441 580 V N 1.777 121.762 119.914 0.118 0.000 2.343 580 V HA -0.190 3.931 4.120 0.002 0.000 0.247 580 V C 2.489 178.610 176.094 0.045 0.000 1.051 580 V CA 1.811 64.128 62.300 0.027 0.000 1.036 580 V CB -0.775 30.974 31.823 -0.124 0.000 0.654 580 V HN 0.249 nan 8.190 nan 0.000 0.451 581 A N -0.027 122.844 122.820 0.084 0.000 1.902 581 A HA -0.241 4.079 4.320 0.002 0.000 0.217 581 A C 2.340 179.962 177.584 0.063 0.000 1.181 581 A CA 1.889 53.967 52.037 0.068 0.000 0.623 581 A CB -0.496 18.552 19.000 0.082 0.000 0.818 581 A HN 0.526 nan 8.150 nan 0.000 0.443 582 R N -1.473 119.072 120.500 0.076 0.000 2.091 582 R HA -0.164 4.177 4.340 0.002 0.000 0.238 582 R C 2.343 178.679 176.300 0.060 0.000 1.136 582 R CA 1.430 57.567 56.100 0.062 0.000 0.959 582 R CB -0.607 29.733 30.300 0.066 0.000 0.856 582 R HN 0.768 nan 8.270 nan 0.000 0.437 583 H N 1.376 120.443 119.070 -0.004 0.000 2.387 583 H HA -0.103 4.454 4.556 0.002 0.000 0.299 583 H C 1.585 176.900 175.328 -0.022 0.000 1.090 583 H CA 1.656 57.694 56.048 -0.016 0.000 1.332 583 H CB 0.252 29.997 29.762 -0.029 0.000 1.386 583 H HN 0.327 nan 8.280 nan 0.000 0.516 584 Q N -0.272 119.585 119.800 0.095 0.000 2.291 584 Q HA -0.090 4.251 4.340 0.002 0.000 0.205 584 Q C 1.159 177.143 176.000 -0.026 0.000 0.970 584 Q CA 0.730 56.556 55.803 0.037 0.000 0.876 584 Q CB 0.265 29.025 28.738 0.036 0.000 0.935 584 Q HN 0.441 nan 8.270 nan 0.000 0.455 585 Q N -0.859 118.922 119.800 -0.031 0.000 2.189 585 Q HA 0.170 4.511 4.340 0.002 0.000 0.221 585 Q C 0.518 176.481 176.000 -0.061 0.000 0.848 585 Q CA 0.418 56.200 55.803 -0.035 0.000 1.007 585 Q CB 1.231 29.962 28.738 -0.011 0.000 1.116 585 Q HN 0.481 nan 8.270 nan 0.000 0.481 586 G N 1.297 110.025 108.800 -0.120 0.000 2.147 586 G HA2 -0.292 3.669 3.960 0.002 0.000 0.244 586 G HA3 -0.292 3.669 3.960 0.002 0.000 0.244 586 G C -0.015 174.828 174.900 -0.094 0.000 1.005 586 G CA 0.186 45.204 45.100 -0.137 0.000 0.713 586 G HN 0.372 nan 8.290 nan 0.000 0.515 587 Q N 0.139 119.899 119.800 -0.067 0.000 2.226 587 Q HA 0.592 4.933 4.340 0.002 0.000 0.256 587 Q C -2.193 173.800 176.000 -0.011 0.000 0.962 587 Q CA -1.974 53.813 55.803 -0.026 0.000 0.887 587 Q CB 1.871 30.607 28.738 -0.003 0.000 1.282 587 Q HN 0.258 nan 8.270 nan 0.000 0.449 588 P HA 0.078 nan 4.420 nan 0.000 0.276 588 P C -0.827 176.491 177.300 0.029 0.000 1.261 588 P CA -0.747 62.362 63.100 0.015 0.000 0.800 588 P CB 0.482 32.187 31.700 0.008 0.000 1.066 589 L N 0.594 121.836 121.223 0.032 0.000 2.559 589 L HA 0.130 4.470 4.340 0.002 0.000 0.282 589 L C 0.391 177.272 176.870 0.018 0.000 1.232 589 L CA 1.228 56.086 54.840 0.030 0.000 0.885 589 L CB -0.245 41.822 42.059 0.014 0.000 1.131 589 L HN 0.366 nan 8.230 nan 0.000 0.498 590 S N 5.071 120.789 115.700 0.031 0.000 2.561 590 S HA 0.762 5.233 4.470 0.002 0.000 0.303 590 S C -1.242 173.351 174.600 -0.012 0.000 1.110 590 S CA -0.691 57.518 58.200 0.015 0.000 1.034 590 S CB 0.916 64.142 63.200 0.043 0.000 1.010 590 S HN 0.575 nan 8.310 nan 0.000 0.482 591 L N 6.127 127.289 121.223 -0.102 0.000 2.505 591 L HA 0.661 5.002 4.340 0.002 0.000 0.266 591 L C -2.590 174.086 176.870 -0.323 0.000 0.954 591 L CA -1.217 53.463 54.840 -0.267 0.000 0.852 591 L CB 1.893 43.817 42.059 -0.224 0.000 1.282 591 L HN 0.506 nan 8.230 nan 0.000 0.403 592 P HA 0.224 nan 4.420 nan 0.000 0.272 592 P C 0.842 177.882 177.300 -0.434 0.000 1.230 592 P CA -0.548 62.282 63.100 -0.450 0.000 0.788 592 P CB 0.887 32.167 31.700 -0.701 0.000 0.949 593 V N 1.351 121.108 119.914 -0.262 0.000 2.343 593 V HA -0.265 3.856 4.120 0.002 0.000 0.247 593 V C 2.257 178.270 176.094 -0.136 0.000 1.051 593 V CA 2.146 64.359 62.300 -0.145 0.000 1.036 593 V CB -1.622 30.175 31.823 -0.043 0.000 0.654 593 V HN 0.755 nan 8.190 nan 0.000 0.451 594 H N -0.755 118.286 119.070 -0.049 0.000 2.518 594 H HA -0.052 4.505 4.556 0.002 0.000 0.289 594 H C 2.074 177.377 175.328 -0.042 0.000 1.051 594 H CA 1.621 57.648 56.048 -0.036 0.000 1.280 594 H CB -0.489 29.262 29.762 -0.018 0.000 1.380 594 H HN 0.378 nan 8.280 nan 0.000 0.566 595 V N 1.622 121.387 119.914 -0.249 0.000 2.346 595 V HA -0.119 4.002 4.120 0.002 0.000 0.244 595 V C 3.177 179.328 176.094 0.096 0.000 1.037 595 V CA 1.305 63.563 62.300 -0.071 0.000 1.029 595 V CB -0.910 30.757 31.823 -0.260 0.000 0.663 595 V HN 0.608 nan 8.190 nan 0.000 0.454 596 A N 0.246 123.059 122.820 -0.012 0.000 1.908 596 A HA -0.283 4.038 4.320 0.002 0.000 0.218 596 A C 1.970 179.590 177.584 0.060 0.000 1.181 596 A CA 2.152 54.209 52.037 0.034 0.000 0.627 596 A CB -0.706 18.262 19.000 -0.054 0.000 0.818 596 A HN 0.541 nan 8.150 nan 0.000 0.445 597 D N 0.146 120.556 120.400 0.016 0.000 2.149 597 D HA -0.117 4.524 4.640 0.002 0.000 0.198 597 D C 2.212 178.495 176.300 -0.029 0.000 0.990 597 D CA 1.560 55.563 54.000 0.004 0.000 0.839 597 D CB -0.487 40.321 40.800 0.013 0.000 0.948 597 D HN 0.460 nan 8.370 nan 0.000 0.460 598 A N 0.337 123.121 122.820 -0.060 0.000 1.902 598 A HA -0.165 4.156 4.320 0.002 0.000 0.217 598 A C 2.060 179.421 177.584 -0.372 0.000 1.181 598 A CA 1.099 52.998 52.037 -0.231 0.000 0.623 598 A CB -0.990 17.822 19.000 -0.313 0.000 0.818 598 A HN 0.172 nan 8.150 nan 0.000 0.443 599 F N -0.597 119.300 119.950 -0.089 0.000 2.259 599 F HA -0.021 4.507 4.527 0.002 0.000 0.298 599 F C 2.387 178.122 175.800 -0.108 0.000 1.088 599 F CA 1.343 59.280 58.000 -0.104 0.000 1.358 599 F CB -0.325 38.593 39.000 -0.136 0.000 1.040 599 F HN 0.135 nan 8.300 nan 0.000 0.505 600 R N 0.804 121.331 120.500 0.046 0.000 2.083 600 R HA -0.212 4.129 4.340 0.002 0.000 0.237 600 R C 2.395 178.672 176.300 -0.038 0.000 1.137 600 R CA 1.452 57.547 56.100 -0.009 0.000 0.951 600 R CB -0.590 29.701 30.300 -0.016 0.000 0.851 600 R HN 0.280 nan 8.270 nan 0.000 0.434 601 A N 0.124 122.903 122.820 -0.068 0.000 1.948 601 A HA -0.147 4.174 4.320 0.002 0.000 0.220 601 A C 2.258 179.785 177.584 -0.094 0.000 1.177 601 A CA 1.801 53.784 52.037 -0.090 0.000 0.636 601 A CB -0.535 18.392 19.000 -0.121 0.000 0.815 601 A HN 0.257 nan 8.150 nan 0.000 0.449 602 V N -0.258 119.593 119.914 -0.105 0.000 2.358 602 V HA -0.213 3.908 4.120 0.002 0.000 0.246 602 V C 2.516 178.592 176.094 -0.030 0.000 1.047 602 V CA 1.732 63.983 62.300 -0.080 0.000 1.035 602 V CB -0.642 31.131 31.823 -0.084 0.000 0.658 602 V HN 0.576 nan 8.190 nan 0.000 0.452 603 L N -0.764 120.451 121.223 -0.013 0.000 2.046 603 L HA -0.158 4.183 4.340 0.002 0.000 0.208 603 L C 2.092 178.958 176.870 -0.007 0.000 1.077 603 L CA 1.611 56.451 54.840 0.000 0.000 0.747 603 L CB -0.212 41.844 42.059 -0.005 0.000 0.896 603 L HN 0.319 nan 8.230 nan 0.000 0.432 604 L N -1.534 119.676 121.223 -0.021 0.000 2.585 604 L HA 0.081 4.422 4.340 0.002 0.000 0.226 604 L C 0.454 177.306 176.870 -0.031 0.000 1.113 604 L CA -0.372 54.455 54.840 -0.021 0.000 0.876 604 L CB -0.114 41.930 42.059 -0.024 0.000 1.072 604 L HN 0.098 nan 8.230 nan 0.000 0.468 605 D N 1.462 121.837 120.400 -0.043 0.000 2.412 605 D HA -0.069 4.572 4.640 0.002 0.000 0.257 605 D C 0.844 177.121 176.300 -0.038 0.000 1.217 605 D CA 0.526 54.495 54.000 -0.052 0.000 0.897 605 D CB 1.149 41.906 40.800 -0.072 0.000 1.132 605 D HN 0.164 nan 8.370 nan 0.000 0.493 606 E N 2.176 122.355 120.200 -0.035 0.000 2.435 606 E HA -0.041 4.310 4.350 0.002 0.000 0.195 606 E C 1.127 177.709 176.600 -0.029 0.000 1.029 606 E CA 0.509 56.893 56.400 -0.026 0.000 0.865 606 E CB 0.405 30.092 29.700 -0.021 0.000 0.833 606 E HN 0.482 nan 8.360 nan 0.000 0.510 607 K N 0.141 120.519 120.400 -0.037 0.000 2.361 607 K HA 0.152 4.473 4.320 0.002 0.000 0.194 607 K C 0.794 177.373 176.600 -0.036 0.000 1.032 607 K CA -0.062 56.203 56.287 -0.035 0.000 1.048 607 K CB 0.636 33.111 32.500 -0.040 0.000 0.842 607 K HN 0.100 nan 8.250 nan 0.000 0.526 608 I N 2.903 123.449 120.570 -0.040 0.000 2.588 608 I HA -0.054 4.117 4.170 0.002 0.000 0.283 608 I C 0.038 176.140 176.117 -0.025 0.000 1.119 608 I CA -0.148 61.129 61.300 -0.038 0.000 1.419 608 I CB 0.528 38.501 38.000 -0.044 0.000 1.394 608 I HN 0.051 nan 8.210 nan 0.000 0.562 609 D N 9.808 130.195 120.400 -0.021 0.000 2.472 609 D HA 0.007 4.648 4.640 0.002 0.000 0.248 609 D C -1.644 174.650 176.300 -0.009 0.000 1.174 609 D CA -1.541 52.450 54.000 -0.016 0.000 0.883 609 D CB 1.366 42.156 40.800 -0.015 0.000 1.149 609 D HN 0.302 nan 8.370 nan 0.000 0.488 610 P HA -0.166 nan 4.420 nan 0.000 0.217 610 P C 0.939 178.242 177.300 0.006 0.000 1.148 610 P CA 1.663 64.764 63.100 0.001 0.000 0.828 610 P CB 0.098 31.795 31.700 -0.005 0.000 0.783 611 A N -0.642 122.175 122.820 -0.005 0.000 1.902 611 A HA -0.186 4.135 4.320 0.002 0.000 0.217 611 A C 2.148 179.726 177.584 -0.010 0.000 1.181 611 A CA 1.627 53.659 52.037 -0.010 0.000 0.623 611 A CB -1.603 17.386 19.000 -0.018 0.000 0.818 611 A HN 0.193 nan 8.150 nan 0.000 0.443 612 L N -0.286 120.932 121.223 -0.007 0.000 2.027 612 L HA 0.017 4.358 4.340 0.002 0.000 0.206 612 L C 2.669 179.564 176.870 0.042 0.000 1.074 612 L CA 2.242 57.085 54.840 0.004 0.000 0.745 612 L CB -0.932 41.128 42.059 0.002 0.000 0.898 612 L HN 0.325 nan 8.230 nan 0.000 0.433 613 A N -0.214 122.626 122.820 0.035 0.000 1.917 613 A HA -0.193 4.128 4.320 0.002 0.000 0.219 613 A C 2.459 180.103 177.584 0.100 0.000 1.182 613 A CA 2.116 54.189 52.037 0.059 0.000 0.633 613 A CB -1.295 17.729 19.000 0.040 0.000 0.819 613 A HN 0.625 nan 8.150 nan 0.000 0.448 614 A N -0.731 122.136 122.820 0.078 0.000 1.933 614 A HA -0.138 4.183 4.320 0.002 0.000 0.218 614 A C 1.960 179.617 177.584 0.121 0.000 1.175 614 A CA 1.746 53.840 52.037 0.096 0.000 0.628 614 A CB -0.343 18.692 19.000 0.060 0.000 0.814 614 A HN 0.468 nan 8.150 nan 0.000 0.444 615 E N -0.037 120.222 120.200 0.098 0.000 2.076 615 E HA -0.047 4.304 4.350 0.002 0.000 0.190 615 E C 1.965 178.787 176.600 0.369 0.000 0.979 615 E CA 0.777 57.245 56.400 0.112 0.000 0.807 615 E CB -0.400 29.217 29.700 -0.139 0.000 0.761 615 E HN 0.725 nan 8.360 nan 0.000 0.454 616 I N 0.806 121.606 120.570 0.382 0.000 2.361 616 I HA -0.224 3.947 4.170 0.002 0.000 0.251 616 I C 1.863 178.204 176.117 0.374 0.000 1.133 616 I CA 0.862 62.393 61.300 0.384 0.000 1.413 616 I CB -0.150 37.981 38.000 0.217 0.000 1.073 616 I HN 0.001 nan 8.210 nan 0.000 0.424 617 L N 0.128 121.539 121.223 0.312 0.000 2.627 617 L HA 0.067 4.408 4.340 0.002 0.000 0.232 617 L C 0.240 177.309 176.870 0.333 0.000 1.150 617 L CA 0.169 55.213 54.840 0.340 0.000 0.917 617 L CB -0.439 41.809 42.059 0.316 0.000 1.104 617 L HN 0.054 nan 8.230 nan 0.000 0.445 618 T N 1.669 116.370 114.554 0.244 0.000 2.753 618 T HA 0.412 4.763 4.350 0.002 0.000 0.297 618 T C 0.249 175.031 174.700 0.138 0.000 0.981 618 T CA -0.423 61.768 62.100 0.151 0.000 0.956 618 T CB 0.832 69.780 68.868 0.134 0.000 0.936 618 T HN 0.005 nan 8.240 nan 0.000 0.463 619 L N 4.765 126.016 121.223 0.047 0.000 2.483 619 L HA 0.229 4.570 4.340 0.002 0.000 0.276 619 L C -1.797 175.094 176.870 0.036 0.000 1.213 619 L CA -1.934 52.917 54.840 0.017 0.000 0.843 619 L CB -0.357 41.667 42.059 -0.058 0.000 1.107 619 L HN 0.303 nan 8.230 nan 0.000 0.487 620 P HA -0.060 nan 4.420 nan 0.000 0.261 620 P C -0.336 176.980 177.300 0.026 0.000 1.165 620 P CA 0.061 63.189 63.100 0.046 0.000 0.759 620 P CB 0.342 32.050 31.700 0.013 0.000 0.772 621 S N 1.693 117.413 115.700 0.034 0.000 2.606 621 S HA 0.034 4.505 4.470 0.002 0.000 0.257 621 S C 1.606 176.220 174.600 0.024 0.000 1.327 621 S CA -0.077 58.133 58.200 0.016 0.000 0.984 621 S CB 0.012 63.224 63.200 0.019 0.000 0.941 621 S HN 0.391 nan 8.310 nan 0.000 0.576 622 V N -0.384 119.540 119.914 0.018 0.000 2.568 622 V HA -0.228 3.892 4.120 0.002 0.000 0.253 622 V C 1.699 177.831 176.094 0.064 0.000 1.072 622 V CA 2.155 64.476 62.300 0.036 0.000 1.084 622 V CB -1.739 30.099 31.823 0.025 0.000 0.676 622 V HN 0.829 nan 8.190 nan 0.000 0.469 623 N N 0.611 119.345 118.700 0.057 0.000 2.207 623 N HA -0.086 4.655 4.740 0.002 0.000 0.182 623 N C 1.870 177.421 175.510 0.068 0.000 1.020 623 N CA 1.402 54.493 53.050 0.069 0.000 0.858 623 N CB -0.242 38.277 38.487 0.053 0.000 0.991 623 N HN 0.640 nan 8.380 nan 0.000 0.427 624 E N 0.628 120.858 120.200 0.050 0.000 2.106 624 E HA -0.122 4.229 4.350 0.002 0.000 0.192 624 E C 1.769 178.404 176.600 0.057 0.000 0.984 624 E CA 0.895 57.320 56.400 0.041 0.000 0.806 624 E CB -0.055 29.664 29.700 0.032 0.000 0.750 624 E HN 0.395 nan 8.360 nan 0.000 0.458 625 M N 0.582 120.229 119.600 0.080 0.000 2.117 625 M HA -0.132 4.349 4.480 0.002 0.000 0.262 625 M C 2.521 178.962 176.300 0.235 0.000 1.065 625 M CA 1.328 56.709 55.300 0.135 0.000 1.114 625 M CB -0.245 32.446 32.600 0.151 0.000 1.361 625 M HN 0.152 nan 8.290 nan 0.000 0.408 626 A N 0.015 122.956 122.820 0.202 0.000 1.986 626 A HA -0.165 4.156 4.320 0.002 0.000 0.220 626 A C 1.873 179.583 177.584 0.209 0.000 1.171 626 A CA 1.529 53.709 52.037 0.239 0.000 0.640 626 A CB -0.524 18.559 19.000 0.140 0.000 0.811 626 A HN 0.368 nan 8.150 nan 0.000 0.451 627 E N -0.186 120.090 120.200 0.127 0.000 2.516 627 E HA -0.000 4.351 4.350 0.002 0.000 0.199 627 E C 1.563 178.173 176.600 0.016 0.000 1.069 627 E CA 0.303 56.768 56.400 0.108 0.000 0.876 627 E CB -0.280 29.516 29.700 0.159 0.000 0.843 627 E HN 0.724 nan 8.360 nan 0.000 0.530 628 L N -0.689 120.451 121.223 -0.140 0.000 2.478 628 L HA 0.027 4.367 4.340 0.002 0.000 0.223 628 L C 0.205 176.696 176.870 -0.630 0.000 1.140 628 L CA 0.379 54.929 54.840 -0.483 0.000 0.842 628 L CB -0.006 41.558 42.059 -0.825 0.000 0.953 628 L HN -0.056 nan 8.230 nan 0.000 0.452 629 F N -1.067 118.884 119.950 0.002 0.000 2.532 629 F HA 0.259 4.787 4.527 0.002 0.000 0.321 629 F C 1.034 176.815 175.800 -0.032 0.000 1.089 629 F CA -1.097 56.891 58.000 -0.021 0.000 0.926 629 F CB 1.047 40.020 39.000 -0.045 0.000 1.168 629 F HN -0.227 nan 8.300 nan 0.000 0.459 630 D N 1.221 121.702 120.400 0.134 0.000 2.087 630 D HA -0.096 4.545 4.640 0.002 0.000 0.192 630 D C 0.719 177.031 176.300 0.021 0.000 0.993 630 D CA 1.815 55.853 54.000 0.063 0.000 0.828 630 D CB 0.156 40.984 40.800 0.045 0.000 0.968 630 D HN 0.029 nan 8.370 nan 0.000 0.448 631 I N 1.429 122.010 120.570 0.018 0.000 2.336 631 I HA 0.243 4.414 4.170 0.002 0.000 0.292 631 I C 0.346 176.377 176.117 -0.143 0.000 0.991 631 I CA -0.758 60.492 61.300 -0.084 0.000 1.227 631 I CB 1.132 39.098 38.000 -0.056 0.000 1.366 631 I HN -0.124 nan 8.210 nan 0.000 0.466 632 I N 5.256 125.626 120.570 -0.333 0.000 2.342 632 I HA 0.142 4.313 4.170 0.002 0.000 0.291 632 I C 0.172 176.109 176.117 -0.300 0.000 1.010 632 I CA -0.282 60.804 61.300 -0.357 0.000 1.308 632 I CB 1.036 38.709 38.000 -0.544 0.000 1.400 632 I HN 0.443 nan 8.210 nan 0.000 0.488 633 D N 9.461 129.683 120.400 -0.296 0.000 2.473 633 D HA 0.230 4.871 4.640 0.002 0.000 0.226 633 D C -1.686 174.521 176.300 -0.154 0.000 1.089 633 D CA -2.345 51.542 54.000 -0.188 0.000 0.883 633 D CB 1.585 42.254 40.800 -0.217 0.000 1.029 633 D HN 0.213 nan 8.370 nan 0.000 0.517 634 P HA -0.019 nan 4.420 nan 0.000 0.225 634 P C 1.696 178.973 177.300 -0.038 0.000 1.156 634 P CA 0.425 63.532 63.100 0.011 0.000 0.787 634 P CB 0.724 32.509 31.700 0.141 0.000 0.802 635 I N -0.001 120.533 120.570 -0.061 0.000 2.333 635 I HA -0.131 4.040 4.170 0.002 0.000 0.246 635 I C 2.577 178.530 176.117 -0.275 0.000 1.106 635 I CA 1.172 62.415 61.300 -0.094 0.000 1.411 635 I CB -0.864 37.121 38.000 -0.026 0.000 1.082 635 I HN -0.098 nan 8.210 nan 0.000 0.420 636 A N 1.319 123.917 122.820 -0.371 0.000 1.902 636 A HA -0.180 4.141 4.320 0.002 0.000 0.217 636 A C 2.297 179.610 177.584 -0.453 0.000 1.181 636 A CA 1.519 53.140 52.037 -0.695 0.000 0.623 636 A CB -0.806 17.982 19.000 -0.353 0.000 0.818 636 A HN 0.348 nan 8.150 nan 0.000 0.443 637 I N -0.362 120.038 120.570 -0.284 0.000 2.179 637 I HA -0.289 3.882 4.170 0.002 0.000 0.242 637 I C 3.003 179.040 176.117 -0.133 0.000 1.088 637 I CA 1.105 62.304 61.300 -0.169 0.000 1.357 637 I CB -0.319 37.620 38.000 -0.101 0.000 1.051 637 I HN 0.366 nan 8.210 nan 0.000 0.409 638 A N 0.319 123.063 122.820 -0.127 0.000 1.877 638 A HA -0.250 4.071 4.320 0.002 0.000 0.216 638 A C 2.201 179.714 177.584 -0.120 0.000 1.186 638 A CA 1.872 53.851 52.037 -0.096 0.000 0.620 638 A CB -0.664 18.298 19.000 -0.063 0.000 0.822 638 A HN 0.444 nan 8.150 nan 0.000 0.443 639 E N -0.540 119.553 120.200 -0.178 0.000 2.153 639 E HA -0.099 4.251 4.350 0.002 0.000 0.194 639 E C 1.904 178.443 176.600 -0.103 0.000 0.988 639 E CA 1.101 57.423 56.400 -0.130 0.000 0.811 639 E CB -0.186 29.447 29.700 -0.111 0.000 0.746 639 E HN 0.395 nan 8.360 nan 0.000 0.466 640 V N 0.956 120.785 119.914 -0.141 0.000 2.427 640 V HA -0.233 3.888 4.120 0.002 0.000 0.248 640 V C 2.350 178.398 176.094 -0.077 0.000 1.051 640 V CA 1.684 63.942 62.300 -0.070 0.000 1.048 640 V CB -0.401 31.393 31.823 -0.047 0.000 0.666 640 V HN 0.191 nan 8.190 nan 0.000 0.456 641 R N 0.129 120.569 120.500 -0.100 0.000 2.075 641 R HA -0.206 4.135 4.340 0.002 0.000 0.232 641 R C 2.398 178.570 176.300 -0.213 0.000 1.126 641 R CA 1.944 57.967 56.100 -0.128 0.000 0.963 641 R CB -0.220 30.010 30.300 -0.116 0.000 0.858 641 R HN 0.681 nan 8.270 nan 0.000 0.435 642 E N -0.156 119.915 120.200 -0.215 0.000 2.085 642 E HA -0.213 4.138 4.350 0.002 0.000 0.194 642 E C 1.668 178.114 176.600 -0.257 0.000 0.994 642 E CA 1.465 57.675 56.400 -0.317 0.000 0.801 642 E CB -0.116 29.497 29.700 -0.146 0.000 0.743 642 E HN 0.463 nan 8.360 nan 0.000 0.453 643 A N 0.663 123.411 122.820 -0.120 0.000 1.929 643 A HA -0.080 4.240 4.320 0.002 0.000 0.216 643 A C 2.087 179.629 177.584 -0.069 0.000 1.176 643 A CA 0.909 52.911 52.037 -0.059 0.000 0.628 643 A CB -0.506 18.493 19.000 -0.003 0.000 0.816 643 A HN 0.378 nan 8.150 nan 0.000 0.444 644 L N 0.035 121.207 121.223 -0.085 0.000 2.046 644 L HA -0.107 4.234 4.340 0.002 0.000 0.208 644 L C 2.454 179.287 176.870 -0.061 0.000 1.077 644 L CA 2.713 57.508 54.840 -0.074 0.000 0.747 644 L CB -1.136 40.877 42.059 -0.078 0.000 0.896 644 L HN 0.382 nan 8.230 nan 0.000 0.432 645 T N -0.590 113.878 114.554 -0.144 0.000 2.708 645 T HA -0.197 4.154 4.350 0.002 0.000 0.266 645 T C 2.016 176.709 174.700 -0.011 0.000 1.037 645 T CA 1.619 63.633 62.100 -0.144 0.000 1.146 645 T CB -0.204 68.260 68.868 -0.672 0.000 0.865 645 T HN 0.328 nan 8.240 nan 0.000 0.435 646 R N 0.500 120.950 120.500 -0.084 0.000 2.091 646 R HA -0.077 4.264 4.340 0.002 0.000 0.238 646 R C 2.759 179.090 176.300 0.053 0.000 1.136 646 R CA 1.690 57.829 56.100 0.064 0.000 0.959 646 R CB -0.637 29.707 30.300 0.075 0.000 0.856 646 R HN 0.349 nan 8.270 nan 0.000 0.437 647 T N 1.385 115.943 114.554 0.008 0.000 2.737 647 T HA -0.078 4.273 4.350 0.002 0.000 0.265 647 T C 1.870 176.550 174.700 -0.032 0.000 1.038 647 T CA 0.996 63.088 62.100 -0.014 0.000 1.144 647 T CB -0.116 68.728 68.868 -0.039 0.000 0.866 647 T HN 0.127 nan 8.240 nan 0.000 0.434 648 L N 0.721 121.916 121.223 -0.047 0.000 2.093 648 L HA -0.012 4.329 4.340 0.002 0.000 0.208 648 L C 3.045 179.843 176.870 -0.120 0.000 1.085 648 L CA 0.906 55.655 54.840 -0.152 0.000 0.755 648 L CB -0.660 41.212 42.059 -0.311 0.000 0.904 648 L HN 0.244 nan 8.230 nan 0.000 0.435 649 A N -0.311 122.544 122.820 0.058 0.000 1.908 649 A HA -0.229 4.092 4.320 0.002 0.000 0.218 649 A C 2.368 179.974 177.584 0.036 0.000 1.181 649 A CA 2.512 54.612 52.037 0.105 0.000 0.627 649 A CB -0.890 18.248 19.000 0.230 0.000 0.818 649 A HN 0.376 nan 8.150 nan 0.000 0.445 650 T N -0.323 114.248 114.554 0.028 0.000 2.701 650 T HA -0.086 4.265 4.350 0.002 0.000 0.263 650 T C 1.853 176.545 174.700 -0.013 0.000 1.040 650 T CA 1.372 63.479 62.100 0.012 0.000 1.147 650 T CB -0.222 68.654 68.868 0.014 0.000 0.865 650 T HN 0.460 nan 8.240 nan 0.000 0.426 651 E N 1.102 121.282 120.200 -0.034 0.000 2.153 651 E HA 0.004 4.355 4.350 0.002 0.000 0.194 651 E C 1.560 178.130 176.600 -0.051 0.000 0.988 651 E CA 0.837 57.210 56.400 -0.045 0.000 0.811 651 E CB -0.120 29.543 29.700 -0.061 0.000 0.746 651 E HN 0.484 nan 8.360 nan 0.000 0.466 652 L N -0.361 120.818 121.223 -0.074 0.000 2.910 652 L HA 0.342 4.683 4.340 0.002 0.000 0.252 652 L C 1.836 178.675 176.870 -0.052 0.000 1.195 652 L CA -0.127 54.666 54.840 -0.079 0.000 1.003 652 L CB 0.177 42.150 42.059 -0.145 0.000 1.328 652 L HN -0.087 nan 8.230 nan 0.000 0.540 653 A N 0.645 123.449 122.820 -0.026 0.000 1.927 653 A HA -0.246 4.075 4.320 0.002 0.000 0.220 653 A C 1.873 179.459 177.584 0.002 0.000 1.185 653 A CA 2.270 54.305 52.037 -0.004 0.000 0.639 653 A CB -0.241 18.762 19.000 0.006 0.000 0.820 653 A HN 0.389 nan 8.150 nan 0.000 0.451 654 D N -0.696 119.704 120.400 0.001 0.000 2.137 654 D HA -0.048 4.593 4.640 0.002 0.000 0.202 654 D C 1.959 178.268 176.300 0.015 0.000 0.970 654 D CA 1.437 55.443 54.000 0.010 0.000 0.837 654 D CB -0.424 40.380 40.800 0.007 0.000 0.981 654 D HN 0.544 nan 8.370 nan 0.000 0.475 655 E N 0.934 121.136 120.200 0.004 0.000 2.051 655 E HA -0.106 4.245 4.350 0.002 0.000 0.192 655 E C 2.358 178.972 176.600 0.024 0.000 0.991 655 E CA 0.457 56.861 56.400 0.007 0.000 0.799 655 E CB -0.420 29.272 29.700 -0.012 0.000 0.748 655 E HN 0.227 nan 8.360 nan 0.000 0.449 656 L N 0.076 121.306 121.223 0.013 0.000 2.043 656 L HA -0.215 4.126 4.340 0.002 0.000 0.212 656 L C 2.389 179.323 176.870 0.107 0.000 1.075 656 L CA 0.868 55.736 54.840 0.047 0.000 0.752 656 L CB -0.491 41.582 42.059 0.024 0.000 0.891 656 L HN 0.194 nan 8.230 nan 0.000 0.432 657 L N -0.255 121.017 121.223 0.082 0.000 2.109 657 L HA -0.050 4.290 4.340 0.002 0.000 0.207 657 L C 2.550 179.521 176.870 0.168 0.000 1.086 657 L CA 1.835 56.746 54.840 0.119 0.000 0.760 657 L CB -0.620 41.477 42.059 0.063 0.000 0.910 657 L HN 0.125 nan 8.230 nan 0.000 0.437 658 A N -0.212 122.670 122.820 0.104 0.000 1.873 658 A HA -0.119 4.202 4.320 0.002 0.000 0.215 658 A C 2.105 179.746 177.584 0.094 0.000 1.186 658 A CA 1.745 53.833 52.037 0.085 0.000 0.616 658 A CB -0.698 18.331 19.000 0.049 0.000 0.823 658 A HN 0.382 nan 8.150 nan 0.000 0.442 659 I N -1.232 119.397 120.570 0.098 0.000 2.286 659 I HA -0.209 3.962 4.170 0.002 0.000 0.248 659 I C 2.361 178.553 176.117 0.124 0.000 1.115 659 I CA 1.362 62.717 61.300 0.090 0.000 1.392 659 I CB -1.573 36.474 38.000 0.080 0.000 1.065 659 I HN 0.584 nan 8.210 nan 0.000 0.418 660 Y N 2.372 122.705 120.300 0.056 0.000 2.145 660 Y HA -0.262 4.289 4.550 0.002 0.000 0.286 660 Y C 2.285 178.234 175.900 0.082 0.000 1.145 660 Y CA 2.195 60.338 58.100 0.072 0.000 1.148 660 Y CB -0.622 37.881 38.460 0.072 0.000 0.981 660 Y HN 0.255 nan 8.280 nan 0.000 0.507 661 N N -0.104 118.630 118.700 0.058 0.000 2.188 661 N HA -0.113 4.628 4.740 0.002 0.000 0.184 661 N C 1.891 177.390 175.510 -0.019 0.000 1.018 661 N CA 0.866 53.896 53.050 -0.033 0.000 0.858 661 N CB -0.333 38.189 38.487 0.060 0.000 0.989 661 N HN 0.443 nan 8.380 nan 0.000 0.426 662 A N 0.630 123.456 122.820 0.011 0.000 2.121 662 A HA -0.032 4.289 4.320 0.002 0.000 0.218 662 A C 1.513 179.102 177.584 0.007 0.000 1.154 662 A CA 1.038 53.086 52.037 0.018 0.000 0.679 662 A CB -0.071 18.940 19.000 0.019 0.000 0.795 662 A HN 0.277 nan 8.150 nan 0.000 0.458 663 N N -1.430 117.255 118.700 -0.025 0.000 2.203 663 N HA 0.050 4.791 4.740 0.002 0.000 0.207 663 N C -0.350 175.112 175.510 -0.081 0.000 1.130 663 N CA -0.237 52.783 53.050 -0.049 0.000 0.861 663 N CB 0.134 38.594 38.487 -0.044 0.000 1.005 663 N HN 0.549 nan 8.380 nan 0.000 0.507 664 Y N 2.986 123.173 120.300 -0.188 0.000 2.895 664 Y HA -0.147 4.404 4.550 0.002 0.000 0.334 664 Y C -0.126 175.713 175.900 -0.101 0.000 1.261 664 Y CA 0.682 58.678 58.100 -0.173 0.000 1.560 664 Y CB 0.230 38.598 38.460 -0.154 0.000 1.253 664 Y HN 0.034 nan 8.280 nan 0.000 0.582 665 Q N 4.279 123.503 119.800 -0.960 0.000 2.292 665 Q HA 0.242 4.583 4.340 0.002 0.000 0.270 665 Q C 0.479 175.946 176.000 -0.888 0.000 1.024 665 Q CA -0.116 55.246 55.803 -0.736 0.000 0.768 665 Q CB 1.887 30.408 28.738 -0.361 0.000 1.250 665 Q HN 0.850 nan 8.270 nan 0.000 0.447 666 S N 1.067 116.361 115.700 -0.677 0.000 2.395 666 S HA 0.011 4.482 4.470 0.002 0.000 0.225 666 S C 0.577 175.090 174.600 -0.146 0.000 1.027 666 S CA 0.351 58.359 58.200 -0.319 0.000 0.965 666 S CB 0.196 63.379 63.200 -0.028 0.000 0.812 666 S HN 0.481 nan 8.310 nan 0.000 0.482 667 E N 1.292 121.411 120.200 -0.135 0.000 2.338 667 E HA 0.191 4.542 4.350 0.002 0.000 0.272 667 E C -1.342 175.211 176.600 -0.078 0.000 1.029 667 E CA -0.253 56.097 56.400 -0.084 0.000 0.872 667 E CB 0.644 30.287 29.700 -0.095 0.000 1.015 667 E HN 0.549 nan 8.360 nan 0.000 0.417 668 Y N 3.241 123.451 120.300 -0.151 0.000 2.341 668 Y HA 0.257 4.808 4.550 0.002 0.000 0.340 668 Y C -0.306 175.475 175.900 -0.200 0.000 0.997 668 Y CA -0.308 57.688 58.100 -0.175 0.000 1.149 668 Y CB 0.630 38.995 38.460 -0.157 0.000 1.171 668 Y HN 0.299 nan 8.280 nan 0.000 0.494 669 R N 4.397 124.367 120.500 -0.884 0.000 2.628 669 R HA 0.487 4.828 4.340 0.002 0.000 0.288 669 R C -1.364 174.340 176.300 -0.993 0.000 0.980 669 R CA -1.194 54.460 56.100 -0.743 0.000 0.891 669 R CB 2.092 32.134 30.300 -0.430 0.000 1.188 669 R HN 0.477 nan 8.270 nan 0.000 0.450 670 V N 3.070 122.467 119.914 -0.863 0.000 2.071 670 V HA 0.150 4.271 4.120 0.002 0.000 0.254 670 V C -0.133 175.590 176.094 -0.619 0.000 1.456 670 V CA 0.342 62.122 62.300 -0.866 0.000 1.383 670 V CB -0.661 30.448 31.823 -1.190 0.000 1.433 670 V HN 0.726 nan 8.190 nan 0.000 0.499 671 E N 0.906 120.779 120.200 -0.546 0.000 2.308 671 E HA 0.386 4.737 4.350 0.002 0.000 0.275 671 E C 0.178 176.558 176.600 -0.366 0.000 0.890 671 E CA -0.771 55.393 56.400 -0.393 0.000 0.754 671 E CB 1.593 31.145 29.700 -0.247 0.000 1.207 671 E HN 0.438 nan 8.360 nan 0.000 0.426 672 H N 1.715 120.711 119.070 -0.124 0.000 2.387 672 H HA -0.122 4.435 4.556 0.002 0.000 0.299 672 H C 0.968 176.233 175.328 -0.104 0.000 1.099 672 H CA 1.505 57.490 56.048 -0.106 0.000 1.315 672 H CB 0.451 30.165 29.762 -0.081 0.000 1.380 672 H HN 0.590 nan 8.280 nan 0.000 0.513 673 E N 0.515 120.706 120.200 -0.015 0.000 2.072 673 E HA -0.137 4.214 4.350 0.002 0.000 0.191 673 E C 1.709 178.253 176.600 -0.094 0.000 0.985 673 E CA 1.108 57.480 56.400 -0.047 0.000 0.801 673 E CB 0.044 29.716 29.700 -0.047 0.000 0.750 673 E HN 0.459 nan 8.360 nan 0.000 0.452 674 D N 0.693 121.002 120.400 -0.152 0.000 2.117 674 D HA -0.120 4.521 4.640 0.002 0.000 0.197 674 D C 1.868 178.053 176.300 -0.192 0.000 0.987 674 D CA 0.841 54.722 54.000 -0.199 0.000 0.829 674 D CB -0.099 40.522 40.800 -0.298 0.000 0.961 674 D HN 0.116 nan 8.370 nan 0.000 0.460 675 I N 0.820 121.263 120.570 -0.213 0.000 2.208 675 I HA -0.287 3.884 4.170 0.002 0.000 0.245 675 I C 2.366 178.433 176.117 -0.083 0.000 1.097 675 I CA 1.078 62.279 61.300 -0.166 0.000 1.363 675 I CB -0.239 37.652 38.000 -0.181 0.000 1.051 675 I HN -0.023 nan 8.210 nan 0.000 0.413 676 A N 0.810 123.591 122.820 -0.064 0.000 1.877 676 A HA -0.221 4.100 4.320 0.002 0.000 0.216 676 A C 2.327 179.894 177.584 -0.028 0.000 1.186 676 A CA 1.655 53.674 52.037 -0.031 0.000 0.620 676 A CB -0.472 18.515 19.000 -0.021 0.000 0.822 676 A HN 0.301 nan 8.150 nan 0.000 0.443 677 K N -0.868 119.503 120.400 -0.048 0.000 2.063 677 K HA -0.180 4.141 4.320 0.002 0.000 0.208 677 K C 2.359 178.938 176.600 -0.035 0.000 1.048 677 K CA 1.677 57.938 56.287 -0.044 0.000 0.928 677 K CB -0.172 32.286 32.500 -0.070 0.000 0.713 677 K HN 0.465 nan 8.250 nan 0.000 0.442 678 R N 0.591 121.062 120.500 -0.047 0.000 2.092 678 R HA -0.094 4.247 4.340 0.002 0.000 0.231 678 R C 1.885 178.198 176.300 0.022 0.000 1.119 678 R CA 1.735 57.824 56.100 -0.019 0.000 0.970 678 R CB -0.116 30.170 30.300 -0.024 0.000 0.864 678 R HN 0.099 nan 8.270 nan 0.000 0.440 679 T N 1.403 115.966 114.554 0.016 0.000 2.777 679 T HA -0.124 4.227 4.350 0.002 0.000 0.266 679 T C 1.570 176.309 174.700 0.064 0.000 1.040 679 T CA 1.126 63.248 62.100 0.037 0.000 1.141 679 T CB -0.204 68.676 68.868 0.021 0.000 0.868 679 T HN 0.150 nan 8.240 nan 0.000 0.444 680 L N 1.548 122.805 121.223 0.057 0.000 2.046 680 L HA 0.059 4.400 4.340 0.002 0.000 0.208 680 L C 2.472 179.415 176.870 0.122 0.000 1.077 680 L CA 1.736 56.627 54.840 0.084 0.000 0.747 680 L CB -0.607 41.486 42.059 0.058 0.000 0.896 680 L HN 0.068 nan 8.230 nan 0.000 0.432 681 R N -0.474 120.085 120.500 0.098 0.000 2.081 681 R HA -0.164 4.177 4.340 0.002 0.000 0.235 681 R C 1.993 178.453 176.300 0.266 0.000 1.131 681 R CA 2.136 58.322 56.100 0.144 0.000 0.960 681 R CB -0.338 29.969 30.300 0.012 0.000 0.856 681 R HN 0.571 nan 8.270 nan 0.000 0.436 682 N N -0.344 118.468 118.700 0.187 0.000 2.409 682 N HA -0.039 4.702 4.740 0.002 0.000 0.179 682 N C 1.562 177.164 175.510 0.154 0.000 1.032 682 N CA 0.606 53.766 53.050 0.183 0.000 0.898 682 N CB 0.065 38.627 38.487 0.125 0.000 0.971 682 N HN 0.271 nan 8.380 nan 0.000 0.441 683 A N 0.464 123.377 122.820 0.155 0.000 1.898 683 A HA -0.127 4.194 4.320 0.002 0.000 0.216 683 A C 2.329 180.078 177.584 0.275 0.000 1.181 683 A CA 0.914 53.051 52.037 0.166 0.000 0.620 683 A CB -0.875 18.238 19.000 0.188 0.000 0.819 683 A HN 0.422 nan 8.150 nan 0.000 0.442 684 C N -1.284 118.193 119.300 0.295 0.000 2.432 684 C HA -0.068 4.393 4.460 0.002 0.000 0.277 684 C C 2.534 177.662 174.990 0.230 0.000 1.249 684 C CA 1.077 60.286 59.018 0.319 0.000 1.725 684 C CB -1.452 26.470 27.740 0.302 0.000 2.028 684 C HN 0.696 nan 8.230 nan 0.000 0.477 685 L N 1.506 122.836 121.223 0.178 0.000 2.081 685 L HA -0.160 4.181 4.340 0.002 0.000 0.212 685 L C 2.609 179.498 176.870 0.031 0.000 1.080 685 L CA 1.961 56.797 54.840 -0.006 0.000 0.754 685 L CB -0.648 41.456 42.059 0.075 0.000 0.893 685 L HN 0.199 nan 8.230 nan 0.000 0.433 686 R N -0.973 119.568 120.500 0.068 0.000 2.073 686 R HA -0.154 4.186 4.340 0.002 0.000 0.234 686 R C 2.036 178.378 176.300 0.069 0.000 1.134 686 R CA 1.948 58.060 56.100 0.019 0.000 0.952 686 R CB -0.858 29.386 30.300 -0.093 0.000 0.850 686 R HN 0.392 nan 8.270 nan 0.000 0.433 687 F N 0.349 120.366 119.950 0.112 0.000 2.095 687 F HA -0.127 4.401 4.527 0.001 0.000 0.298 687 F C 2.073 177.938 175.800 0.108 0.000 1.104 687 F CA 1.356 59.420 58.000 0.107 0.000 1.232 687 F CB -0.552 38.468 39.000 0.034 0.000 0.987 687 F HN -0.021 nan 8.300 nan 0.000 0.475 688 L N -0.485 120.863 121.223 0.208 0.000 2.079 688 L HA -0.249 4.092 4.340 0.002 0.000 0.210 688 L C 2.635 179.515 176.870 0.017 0.000 1.081 688 L CA 1.110 55.986 54.840 0.060 0.000 0.752 688 L CB -0.994 41.012 42.059 -0.088 0.000 0.896 688 L HN 0.157 nan 8.230 nan 0.000 0.433 689 A N -0.732 122.084 122.820 -0.006 0.000 2.024 689 A HA -0.175 4.146 4.320 0.002 0.000 0.220 689 A C 1.768 179.211 177.584 -0.235 0.000 1.164 689 A CA 1.430 53.377 52.037 -0.150 0.000 0.643 689 A CB -0.601 18.270 19.000 -0.215 0.000 0.806 689 A HN 0.403 nan 8.150 nan 0.000 0.451 690 F N -0.757 119.180 119.950 -0.022 0.000 2.693 690 F HA 0.302 4.830 4.527 0.002 0.000 0.303 690 F C 1.700 177.507 175.800 0.011 0.000 1.097 690 F CA -0.039 57.955 58.000 -0.010 0.000 1.330 690 F CB 0.151 39.145 39.000 -0.009 0.000 1.067 690 F HN 0.257 nan 8.300 nan 0.000 0.565 691 G N -0.934 107.941 108.800 0.125 0.000 2.882 691 G HA2 0.063 4.023 3.960 0.002 0.000 0.164 691 G HA3 0.063 4.023 3.960 0.002 0.000 0.164 691 G C -0.383 174.541 174.900 0.041 0.000 1.429 691 G CA -0.365 44.788 45.100 0.088 0.000 1.059 691 G HN -0.030 nan 8.290 nan 0.000 0.581 692 E N 0.033 120.250 120.200 0.028 0.000 2.465 692 E HA 0.022 4.373 4.350 0.002 0.000 0.260 692 E C 1.422 178.028 176.600 0.010 0.000 0.980 692 E CA 0.121 56.535 56.400 0.023 0.000 0.927 692 E CB 0.718 30.435 29.700 0.029 0.000 0.934 692 E HN 0.295 nan 8.360 nan 0.000 0.459 693 T N 4.443 119.007 114.554 0.016 0.000 2.708 693 T HA -0.187 4.164 4.350 0.002 0.000 0.266 693 T C 1.538 176.248 174.700 0.017 0.000 1.037 693 T CA 1.365 63.465 62.100 -0.000 0.000 1.146 693 T CB -0.328 68.546 68.868 0.011 0.000 0.865 693 T HN 0.577 nan 8.240 nan 0.000 0.435 694 H N 0.742 119.794 119.070 -0.031 0.000 2.293 694 H HA 0.020 4.577 4.556 0.002 0.000 0.300 694 H C 2.427 177.739 175.328 -0.027 0.000 1.082 694 H CA 1.184 57.216 56.048 -0.026 0.000 1.308 694 H CB -0.366 29.386 29.762 -0.017 0.000 1.375 694 H HN 0.204 nan 8.280 nan 0.000 0.495 695 L N 0.618 121.792 121.223 -0.083 0.000 2.012 695 L HA -0.189 4.152 4.340 0.002 0.000 0.210 695 L C 2.821 179.602 176.870 -0.148 0.000 1.073 695 L CA 1.481 56.242 54.840 -0.132 0.000 0.748 695 L CB -0.911 41.123 42.059 -0.042 0.000 0.891 695 L HN 0.367 nan 8.230 nan 0.000 0.431 696 A N -0.161 122.591 122.820 -0.113 0.000 1.884 696 A HA -0.359 3.962 4.320 0.002 0.000 0.219 696 A C 1.929 179.427 177.584 -0.142 0.000 1.197 696 A CA 2.422 54.383 52.037 -0.127 0.000 0.637 696 A CB -0.964 17.962 19.000 -0.123 0.000 0.827 696 A HN 0.565 nan 8.150 nan 0.000 0.450 697 D N -1.182 119.130 120.400 -0.147 0.000 2.178 697 D HA -0.085 4.556 4.640 0.002 0.000 0.201 697 D C 1.786 178.004 176.300 -0.136 0.000 0.980 697 D CA 1.262 55.182 54.000 -0.133 0.000 0.842 697 D CB -0.000 40.735 40.800 -0.108 0.000 0.948 697 D HN 0.161 nan 8.370 nan 0.000 0.472 698 V N 0.083 119.874 119.914 -0.204 0.000 2.283 698 V HA -0.164 3.956 4.120 0.002 0.000 0.243 698 V C 2.363 178.412 176.094 -0.075 0.000 1.039 698 V CA 0.813 63.017 62.300 -0.160 0.000 1.016 698 V CB -0.415 31.258 31.823 -0.250 0.000 0.650 698 V HN 0.246 nan 8.190 nan 0.000 0.449 699 L N -0.080 121.086 121.223 -0.095 0.000 2.021 699 L HA -0.199 4.142 4.340 0.002 0.000 0.215 699 L C 2.386 179.242 176.870 -0.023 0.000 1.074 699 L CA 1.876 56.670 54.840 -0.076 0.000 0.760 699 L CB -1.036 40.909 42.059 -0.189 0.000 0.889 699 L HN 0.156 nan 8.230 nan 0.000 0.433 700 V N -0.911 118.973 119.914 -0.051 0.000 2.323 700 V HA -0.215 3.906 4.120 0.002 0.000 0.244 700 V C 2.432 178.544 176.094 0.031 0.000 1.041 700 V CA 1.595 63.883 62.300 -0.020 0.000 1.025 700 V CB -0.651 31.125 31.823 -0.079 0.000 0.656 700 V HN 0.593 nan 8.190 nan 0.000 0.451 701 S N 0.163 115.873 115.700 0.017 0.000 2.382 701 S HA -0.276 4.195 4.470 0.002 0.000 0.228 701 S C 1.920 176.639 174.600 0.198 0.000 1.027 701 S CA 1.722 59.965 58.200 0.072 0.000 0.991 701 S CB -0.366 62.911 63.200 0.129 0.000 0.823 701 S HN 0.577 nan 8.310 nan 0.000 0.469 702 K N 1.491 121.988 120.400 0.162 0.000 1.985 702 K HA -0.176 4.145 4.320 0.002 0.000 0.210 702 K C 2.572 179.282 176.600 0.184 0.000 1.047 702 K CA 1.593 57.988 56.287 0.180 0.000 0.932 702 K CB -0.337 32.230 32.500 0.112 0.000 0.716 702 K HN 0.478 nan 8.250 nan 0.000 0.439 703 Q N -0.494 119.409 119.800 0.172 0.000 2.135 703 Q HA -0.228 4.112 4.340 0.002 0.000 0.204 703 Q C 1.916 178.012 176.000 0.161 0.000 0.981 703 Q CA 1.875 57.789 55.803 0.184 0.000 0.856 703 Q CB -0.238 28.630 28.738 0.216 0.000 0.902 703 Q HN 0.417 nan 8.270 nan 0.000 0.425 704 F N 0.105 120.048 119.950 -0.012 0.000 2.146 704 F HA -0.164 4.364 4.527 0.001 0.000 0.298 704 F C 1.668 177.427 175.800 -0.068 0.000 1.096 704 F CA 2.142 60.096 58.000 -0.077 0.000 1.275 704 F CB -0.169 38.701 39.000 -0.216 0.000 1.008 704 F HN 0.203 nan 8.300 nan 0.000 0.480 705 H N -0.912 118.251 119.070 0.156 0.000 2.436 705 H HA 0.009 4.566 4.556 0.002 0.000 0.294 705 H C 1.656 176.974 175.328 -0.016 0.000 1.048 705 H CA 1.374 57.447 56.048 0.042 0.000 1.353 705 H CB 0.065 29.909 29.762 0.137 0.000 1.414 705 H HN 0.376 nan 8.280 nan 0.000 0.536 706 E N 0.544 120.822 120.200 0.130 0.000 2.447 706 E HA 0.186 4.537 4.350 0.002 0.000 0.195 706 E C 0.568 177.195 176.600 0.045 0.000 1.028 706 E CA -0.086 56.365 56.400 0.085 0.000 0.876 706 E CB 0.549 30.313 29.700 0.107 0.000 0.885 706 E HN 0.318 nan 8.360 nan 0.000 0.500 707 A N 2.680 125.504 122.820 0.007 0.000 2.587 707 A HA -0.068 4.253 4.320 0.002 0.000 0.235 707 A C 0.653 178.208 177.584 -0.049 0.000 1.044 707 A CA 0.190 52.215 52.037 -0.021 0.000 0.754 707 A CB -0.020 18.941 19.000 -0.065 0.000 0.968 707 A HN 0.316 nan 8.150 nan 0.000 0.509 708 N N 1.157 119.826 118.700 -0.052 0.000 2.235 708 N HA 0.044 4.785 4.740 0.002 0.000 0.209 708 N C -0.315 175.085 175.510 -0.183 0.000 1.122 708 N CA 0.108 53.111 53.050 -0.080 0.000 0.845 708 N CB 0.035 38.500 38.487 -0.037 0.000 1.004 708 N HN 0.737 nan 8.380 nan 0.000 0.499 709 N N -1.148 117.403 118.700 -0.248 0.000 2.708 709 N HA 0.127 4.867 4.740 0.002 0.000 0.257 709 N C -0.118 175.237 175.510 -0.258 0.000 1.373 709 N CA -0.612 52.178 53.050 -0.433 0.000 0.843 709 N CB 1.191 39.084 38.487 -0.990 0.000 1.503 709 N HN -0.125 nan 8.380 nan 0.000 0.504 710 M N 0.832 120.288 119.600 -0.239 0.000 2.419 710 M HA 0.084 4.565 4.480 0.002 0.000 0.264 710 M C 1.192 177.456 176.300 -0.059 0.000 1.082 710 M CA 1.613 56.839 55.300 -0.123 0.000 1.119 710 M CB -0.727 31.782 32.600 -0.150 0.000 1.398 710 M HN 0.697 nan 8.290 nan 0.000 0.453 711 T N 0.675 115.183 114.554 -0.076 0.000 2.674 711 T HA -0.121 4.230 4.350 0.002 0.000 0.265 711 T C 1.366 176.085 174.700 0.032 0.000 1.039 711 T CA 1.790 63.898 62.100 0.012 0.000 1.150 711 T CB -0.391 68.520 68.868 0.072 0.000 0.864 711 T HN 0.397 nan 8.240 nan 0.000 0.427 712 D N 1.004 121.412 120.400 0.012 0.000 2.183 712 D HA 0.092 4.733 4.640 0.002 0.000 0.203 712 D C 2.261 178.602 176.300 0.069 0.000 0.969 712 D CA 0.901 54.933 54.000 0.054 0.000 0.842 712 D CB -0.254 40.575 40.800 0.048 0.000 0.957 712 D HN 0.398 nan 8.370 nan 0.000 0.484 713 A N 0.627 123.467 122.820 0.032 0.000 1.898 713 A HA -0.066 4.255 4.320 0.002 0.000 0.214 713 A C 2.109 179.824 177.584 0.220 0.000 1.183 713 A CA 0.592 52.670 52.037 0.068 0.000 0.622 713 A CB -0.551 18.390 19.000 -0.098 0.000 0.824 713 A HN 0.199 nan 8.150 nan 0.000 0.444 714 L N -0.089 121.226 121.223 0.153 0.000 2.083 714 L HA -0.035 4.306 4.340 0.002 0.000 0.209 714 L C 2.665 179.591 176.870 0.093 0.000 1.083 714 L CA 2.001 56.922 54.840 0.135 0.000 0.752 714 L CB -0.713 41.393 42.059 0.078 0.000 0.899 714 L HN 0.346 nan 8.230 nan 0.000 0.433 715 A N -0.541 122.332 122.820 0.088 0.000 1.908 715 A HA -0.157 4.164 4.320 0.002 0.000 0.218 715 A C 2.452 180.080 177.584 0.074 0.000 1.181 715 A CA 1.923 54.004 52.037 0.073 0.000 0.627 715 A CB -1.137 17.917 19.000 0.089 0.000 0.818 715 A HN 0.563 nan 8.150 nan 0.000 0.445 716 A N -0.521 122.370 122.820 0.119 0.000 1.858 716 A HA -0.039 4.282 4.320 0.002 0.000 0.216 716 A C 2.139 179.750 177.584 0.045 0.000 1.190 716 A CA 1.752 53.855 52.037 0.110 0.000 0.617 716 A CB -0.701 18.428 19.000 0.215 0.000 0.827 716 A HN 0.758 nan 8.150 nan 0.000 0.443 717 L N -0.162 121.122 121.223 0.102 0.000 2.131 717 L HA -0.067 4.274 4.340 0.002 0.000 0.210 717 L C 2.555 179.364 176.870 -0.101 0.000 1.092 717 L CA 2.459 57.265 54.840 -0.056 0.000 0.759 717 L CB -0.537 41.540 42.059 0.029 0.000 0.903 717 L HN 0.372 nan 8.230 nan 0.000 0.435 718 S N -1.012 114.657 115.700 -0.050 0.000 2.387 718 S HA -0.041 4.430 4.470 0.002 0.000 0.226 718 S C 2.130 176.689 174.600 -0.069 0.000 1.026 718 S CA 0.873 59.033 58.200 -0.068 0.000 0.972 718 S CB -0.298 62.883 63.200 -0.032 0.000 0.814 718 S HN 0.594 nan 8.310 nan 0.000 0.477 719 A N 1.284 124.069 122.820 -0.057 0.000 1.930 719 A HA 0.310 4.631 4.320 0.002 0.000 0.217 719 A C 2.435 179.913 177.584 -0.176 0.000 1.175 719 A CA 1.598 53.583 52.037 -0.087 0.000 0.627 719 A CB -1.265 17.696 19.000 -0.065 0.000 0.815 719 A HN 0.743 nan 8.150 nan 0.000 0.443 720 A N -0.443 122.278 122.820 -0.164 0.000 1.902 720 A HA -0.021 4.300 4.320 0.002 0.000 0.217 720 A C 2.212 179.677 177.584 -0.199 0.000 1.181 720 A CA 1.871 53.790 52.037 -0.196 0.000 0.623 720 A CB -0.855 18.024 19.000 -0.202 0.000 0.818 720 A HN 0.380 nan 8.150 nan 0.000 0.443 721 V N -0.345 119.462 119.914 -0.179 0.000 2.358 721 V HA -0.182 3.939 4.120 0.002 0.000 0.246 721 V C 3.029 179.043 176.094 -0.134 0.000 1.047 721 V CA 1.812 64.013 62.300 -0.166 0.000 1.035 721 V CB -1.165 30.553 31.823 -0.175 0.000 0.658 721 V HN 0.605 nan 8.190 nan 0.000 0.452 722 A N -0.101 122.654 122.820 -0.108 0.000 1.930 722 A HA 0.027 4.348 4.320 0.002 0.000 0.217 722 A C 2.140 179.678 177.584 -0.076 0.000 1.175 722 A CA 1.867 53.903 52.037 -0.002 0.000 0.627 722 A CB -0.488 18.590 19.000 0.130 0.000 0.815 722 A HN 0.595 nan 8.150 nan 0.000 0.443 723 A N -1.633 120.923 122.820 -0.439 0.000 2.345 723 A HA 0.366 4.687 4.320 0.002 0.000 0.225 723 A C 0.657 178.014 177.584 -0.377 0.000 1.243 723 A CA 0.508 52.059 52.037 -0.810 0.000 0.875 723 A CB -0.388 17.784 19.000 -1.379 0.000 0.929 723 A HN 0.541 nan 8.150 nan 0.000 0.502 724 Q N -0.420 119.240 119.800 -0.233 0.000 2.451 724 Q HA -0.176 4.164 4.340 0.002 0.000 0.305 724 Q C -0.631 175.273 176.000 -0.159 0.000 1.345 724 Q CA 0.389 56.097 55.803 -0.158 0.000 0.854 724 Q CB -1.856 26.820 28.738 -0.103 0.000 1.162 724 Q HN 0.675 nan 8.270 nan 0.000 0.440 725 L N -0.328 120.783 121.223 -0.186 0.000 2.453 725 L HA 0.099 4.440 4.340 0.002 0.000 0.261 725 L C -0.869 175.934 176.870 -0.112 0.000 1.179 725 L CA -1.727 53.020 54.840 -0.156 0.000 0.813 725 L CB 0.114 42.068 42.059 -0.175 0.000 1.110 725 L HN -0.020 nan 8.230 nan 0.000 0.466 726 P HA -0.171 nan 4.420 nan 0.000 0.216 726 P C 1.345 178.611 177.300 -0.056 0.000 1.150 726 P CA 1.232 64.300 63.100 -0.053 0.000 0.843 726 P CB -0.051 31.634 31.700 -0.025 0.000 0.787 727 C N -1.707 117.550 119.300 -0.070 0.000 2.576 727 C HA 0.262 4.722 4.460 0.002 0.000 0.267 727 C C 2.470 177.391 174.990 -0.114 0.000 1.364 727 C CA -0.665 58.310 59.018 -0.071 0.000 1.723 727 C CB -1.873 25.825 27.740 -0.070 0.000 1.778 727 C HN 0.124 nan 8.230 nan 0.000 0.572 728 R N 1.628 122.052 120.500 -0.126 0.000 2.094 728 R HA -0.180 4.161 4.340 0.002 0.000 0.239 728 R C 1.649 177.872 176.300 -0.127 0.000 1.137 728 R CA 2.553 58.562 56.100 -0.152 0.000 0.943 728 R CB -0.478 29.735 30.300 -0.145 0.000 0.850 728 R HN 0.515 nan 8.270 nan 0.000 0.433 729 D N -0.091 120.260 120.400 -0.082 0.000 2.144 729 D HA -0.106 4.535 4.640 0.002 0.000 0.200 729 D C 1.715 178.008 176.300 -0.012 0.000 0.978 729 D CA 1.367 55.342 54.000 -0.043 0.000 0.833 729 D CB -0.200 40.586 40.800 -0.025 0.000 0.961 729 D HN 0.414 nan 8.370 nan 0.000 0.470 730 A N 1.071 123.876 122.820 -0.024 0.000 1.855 730 A HA -0.094 4.227 4.320 0.002 0.000 0.215 730 A C 2.413 179.986 177.584 -0.018 0.000 1.191 730 A CA 0.799 52.841 52.037 0.008 0.000 0.613 730 A CB -0.787 18.227 19.000 0.024 0.000 0.829 730 A HN 0.175 nan 8.150 nan 0.000 0.442 731 L N -1.090 120.033 121.223 -0.167 0.000 2.042 731 L HA -0.221 4.120 4.340 0.002 0.000 0.210 731 L C 2.796 179.559 176.870 -0.178 0.000 1.076 731 L CA 1.206 55.778 54.840 -0.446 0.000 0.749 731 L CB -0.723 40.816 42.059 -0.867 0.000 0.893 731 L HN 0.337 nan 8.230 nan 0.000 0.432 732 M N -0.428 119.144 119.600 -0.047 0.000 2.175 732 M HA -0.193 4.288 4.480 0.002 0.000 0.264 732 M C 2.292 178.853 176.300 0.436 0.000 1.063 732 M CA 1.608 57.029 55.300 0.201 0.000 1.119 732 M CB -0.864 31.752 32.600 0.026 0.000 1.377 732 M HN 0.241 nan 8.290 nan 0.000 0.415 733 Q N 0.829 120.775 119.800 0.244 0.000 2.123 733 Q HA -0.103 4.238 4.340 0.002 0.000 0.199 733 Q C 1.650 177.770 176.000 0.200 0.000 0.966 733 Q CA 1.653 57.592 55.803 0.226 0.000 0.845 733 Q CB -0.104 28.717 28.738 0.137 0.000 0.907 733 Q HN 0.541 nan 8.270 nan 0.000 0.439 734 E N -1.126 119.204 120.200 0.215 0.000 2.077 734 E HA -0.214 4.137 4.350 0.002 0.000 0.193 734 E C 1.659 178.444 176.600 0.307 0.000 0.989 734 E CA 1.234 57.785 56.400 0.250 0.000 0.800 734 E CB -0.273 29.642 29.700 0.358 0.000 0.746 734 E HN 0.481 nan 8.360 nan 0.000 0.452 735 Y N 1.662 122.136 120.300 0.289 0.000 2.200 735 Y HA -0.245 4.306 4.550 0.001 0.000 0.290 735 Y C 2.208 178.134 175.900 0.043 0.000 1.137 735 Y CA 1.642 59.938 58.100 0.327 0.000 1.163 735 Y CB 0.071 38.804 38.460 0.456 0.000 0.988 735 Y HN -0.011 nan 8.280 nan 0.000 0.518 736 D N 0.352 120.782 120.400 0.050 0.000 2.103 736 D HA -0.226 4.415 4.640 0.002 0.000 0.190 736 D C 1.618 177.900 176.300 -0.029 0.000 0.997 736 D CA 2.015 55.854 54.000 -0.268 0.000 0.833 736 D CB -0.365 40.263 40.800 -0.287 0.000 0.961 736 D HN 0.401 nan 8.370 nan 0.000 0.447 737 D N -0.053 120.354 120.400 0.012 0.000 2.149 737 D HA -0.168 4.473 4.640 0.002 0.000 0.198 737 D C 1.970 178.268 176.300 -0.003 0.000 0.990 737 D CA 0.877 54.889 54.000 0.019 0.000 0.839 737 D CB -0.215 40.585 40.800 0.000 0.000 0.948 737 D HN 0.371 nan 8.370 nan 0.000 0.460 738 K N -0.885 119.420 120.400 -0.157 0.000 2.116 738 K HA -0.093 4.227 4.320 0.002 0.000 0.203 738 K C 1.349 177.560 176.600 -0.648 0.000 1.052 738 K CA 0.772 56.761 56.287 -0.498 0.000 0.952 738 K CB 0.055 32.111 32.500 -0.740 0.000 0.729 738 K HN 0.161 nan 8.250 nan 0.000 0.446 739 W N -0.038 121.128 121.300 -0.223 0.000 3.008 739 W HA 0.123 4.784 4.660 0.002 0.000 0.355 739 W C 1.401 177.773 176.519 -0.244 0.000 1.095 739 W CA -0.026 57.134 57.345 -0.308 0.000 1.738 739 W CB 0.241 29.399 29.460 -0.504 0.000 1.091 739 W HN 0.311 nan 8.180 nan 0.000 0.574 740 H N 0.374 119.437 119.070 -0.012 0.000 2.466 740 H HA -0.279 4.278 4.556 0.002 0.000 0.297 740 H C 1.953 177.317 175.328 0.060 0.000 1.113 740 H CA 1.940 57.990 56.048 0.004 0.000 1.273 740 H CB -0.424 29.326 29.762 -0.019 0.000 1.371 740 H HN 0.133 nan 8.280 nan 0.000 0.528 741 Q N 0.566 120.111 119.800 -0.425 0.000 2.444 741 Q HA -0.009 4.332 4.340 0.002 0.000 0.206 741 Q C -0.137 175.838 176.000 -0.042 0.000 0.948 741 Q CA 0.340 56.006 55.803 -0.228 0.000 0.946 741 Q CB -0.029 28.507 28.738 -0.337 0.000 1.027 741 Q HN 0.493 nan 8.270 nan 0.000 0.513 742 N N 1.014 119.727 118.700 0.022 0.000 2.609 742 N HA 0.207 4.948 4.740 0.002 0.000 0.234 742 N C 0.595 176.134 175.510 0.047 0.000 1.001 742 N CA 0.297 53.380 53.050 0.055 0.000 0.926 742 N CB 1.203 39.765 38.487 0.125 0.000 1.130 742 N HN 0.239 nan 8.380 nan 0.000 0.510 743 G N 3.229 112.056 108.800 0.046 0.000 2.476 743 G HA2 -0.227 3.734 3.960 0.002 0.000 0.218 743 G HA3 -0.227 3.734 3.960 0.002 0.000 0.218 743 G C 1.500 176.424 174.900 0.040 0.000 1.164 743 G CA 0.685 45.824 45.100 0.065 0.000 0.768 743 G HN 0.587 nan 8.290 nan 0.000 0.560 744 L N 0.172 121.381 121.223 -0.024 0.000 2.083 744 L HA -0.095 4.246 4.340 0.002 0.000 0.209 744 L C 2.962 179.795 176.870 -0.063 0.000 1.083 744 L CA 0.507 55.314 54.840 -0.055 0.000 0.752 744 L CB -0.557 41.444 42.059 -0.097 0.000 0.899 744 L HN 0.111 nan 8.230 nan 0.000 0.433 745 V N -0.881 118.964 119.914 -0.116 0.000 2.453 745 V HA -0.223 3.898 4.120 0.002 0.000 0.247 745 V C 2.501 178.616 176.094 0.035 0.000 1.048 745 V CA 1.232 63.416 62.300 -0.194 0.000 1.049 745 V CB -0.365 31.095 31.823 -0.606 0.000 0.672 745 V HN 0.370 nan 8.190 nan 0.000 0.457 746 M N -0.411 119.235 119.600 0.077 0.000 2.374 746 M HA -0.098 4.383 4.480 0.002 0.000 0.264 746 M C 1.830 178.232 176.300 0.170 0.000 1.067 746 M CA 1.168 56.522 55.300 0.091 0.000 1.103 746 M CB -1.241 31.374 32.600 0.025 0.000 1.402 746 M HN 0.338 nan 8.290 nan 0.000 0.444 747 D N 0.855 121.400 120.400 0.241 0.000 2.123 747 D HA -0.153 4.488 4.640 0.002 0.000 0.196 747 D C 1.934 178.361 176.300 0.213 0.000 0.992 747 D CA 1.226 55.404 54.000 0.297 0.000 0.833 747 D CB -0.085 40.802 40.800 0.144 0.000 0.954 747 D HN 0.389 nan 8.370 nan 0.000 0.455 748 K N -0.607 119.873 120.400 0.132 0.000 2.097 748 K HA -0.156 4.165 4.320 0.002 0.000 0.206 748 K C 2.067 178.686 176.600 0.032 0.000 1.049 748 K CA 0.849 57.178 56.287 0.070 0.000 0.933 748 K CB -0.167 32.365 32.500 0.053 0.000 0.717 748 K HN 0.221 nan 8.250 nan 0.000 0.442 749 W N 0.783 121.947 121.300 -0.227 0.000 2.409 749 W HA -0.097 4.564 4.660 0.001 0.000 0.299 749 W C 1.506 177.863 176.519 -0.270 0.000 1.203 749 W CA 1.107 58.222 57.345 -0.384 0.000 1.298 749 W CB -0.161 29.045 29.460 -0.424 0.000 1.127 749 W HN -0.114 nan 8.180 nan 0.000 0.528 750 F N 0.553 120.647 119.950 0.241 0.000 2.126 750 F HA -0.224 4.304 4.527 0.001 0.000 0.299 750 F C 2.222 177.995 175.800 -0.045 0.000 1.096 750 F CA 1.621 59.663 58.000 0.071 0.000 1.255 750 F CB -1.277 37.822 39.000 0.165 0.000 0.997 750 F HN -0.152 nan 8.300 nan 0.000 0.479 751 I N -0.526 120.134 120.570 0.149 0.000 2.226 751 I HA -0.314 3.856 4.170 0.002 0.000 0.245 751 I C 2.327 178.424 176.117 -0.032 0.000 1.100 751 I CA 1.175 62.512 61.300 0.062 0.000 1.374 751 I CB -0.514 37.516 38.000 0.049 0.000 1.057 751 I HN 0.108 nan 8.210 nan 0.000 0.413 752 L N -0.120 121.028 121.223 -0.125 0.000 2.046 752 L HA -0.225 4.116 4.340 0.002 0.000 0.208 752 L C 2.773 179.500 176.870 -0.239 0.000 1.077 752 L CA 1.193 55.913 54.840 -0.199 0.000 0.747 752 L CB -0.682 41.201 42.059 -0.294 0.000 0.896 752 L HN 0.332 nan 8.230 nan 0.000 0.432 753 Q N -0.082 119.514 119.800 -0.340 0.000 2.050 753 Q HA -0.183 4.158 4.340 0.002 0.000 0.202 753 Q C 2.432 178.350 176.000 -0.136 0.000 0.980 753 Q CA 1.827 57.432 55.803 -0.330 0.000 0.840 753 Q CB -0.377 28.103 28.738 -0.430 0.000 0.898 753 Q HN 0.543 nan 8.270 nan 0.000 0.424 754 A N 1.047 123.846 122.820 -0.036 0.000 1.969 754 A HA -0.111 4.210 4.320 0.002 0.000 0.218 754 A C 2.048 179.708 177.584 0.127 0.000 1.169 754 A CA 1.912 54.005 52.037 0.093 0.000 0.635 754 A CB -0.497 18.593 19.000 0.150 0.000 0.810 754 A HN 0.492 nan 8.150 nan 0.000 0.445 755 T N -2.684 111.886 114.554 0.028 0.000 3.145 755 T HA 0.300 4.651 4.350 0.002 0.000 0.255 755 T C 0.657 175.348 174.700 -0.015 0.000 1.039 755 T CA 0.463 62.568 62.100 0.010 0.000 0.928 755 T CB -0.433 68.429 68.868 -0.010 0.000 1.029 755 T HN 0.291 nan 8.240 nan 0.000 0.554 756 S N 2.995 118.674 115.700 -0.035 0.000 2.560 756 S HA 0.194 4.665 4.470 0.002 0.000 0.284 756 S C -1.386 173.202 174.600 -0.020 0.000 1.327 756 S CA -1.058 57.109 58.200 -0.054 0.000 1.055 756 S CB 0.802 63.943 63.200 -0.097 0.000 0.868 756 S HN 0.206 nan 8.310 nan 0.000 0.506 757 P HA 0.219 nan 4.420 nan 0.000 0.249 757 P C 0.079 177.373 177.300 -0.009 0.000 1.229 757 P CA -0.000 63.100 63.100 0.000 0.000 0.788 757 P CB -0.403 31.312 31.700 0.024 0.000 1.072 758 A N 0.667 123.470 122.820 -0.029 0.000 2.466 758 A HA 0.365 4.686 4.320 0.002 0.000 0.238 758 A C 1.808 179.378 177.584 -0.025 0.000 1.074 758 A CA 0.416 52.431 52.037 -0.036 0.000 0.774 758 A CB 0.023 18.987 19.000 -0.060 0.000 1.015 758 A HN 0.174 nan 8.150 nan 0.000 0.498 759 A N 1.643 124.448 122.820 -0.025 0.000 2.019 759 A HA -0.116 4.205 4.320 0.002 0.000 0.219 759 A C 1.354 178.919 177.584 -0.031 0.000 1.164 759 A CA 1.585 53.610 52.037 -0.021 0.000 0.644 759 A CB -0.508 18.480 19.000 -0.020 0.000 0.805 759 A HN 0.989 nan 8.150 nan 0.000 0.449 760 N N 0.102 118.775 118.700 -0.045 0.000 2.320 760 N HA 0.045 4.785 4.740 0.002 0.000 0.237 760 N C 0.839 176.298 175.510 -0.086 0.000 1.129 760 N CA 0.490 53.502 53.050 -0.062 0.000 0.854 760 N CB -0.110 38.339 38.487 -0.063 0.000 1.083 760 N HN 0.134 nan 8.380 nan 0.000 0.504 761 V N 0.420 120.297 119.914 -0.062 0.000 2.332 761 V HA -0.216 3.905 4.120 0.002 0.000 0.248 761 V C 2.080 178.066 176.094 -0.179 0.000 1.055 761 V CA 1.367 63.624 62.300 -0.072 0.000 1.038 761 V CB -0.399 31.439 31.823 0.024 0.000 0.651 761 V HN 0.345 nan 8.190 nan 0.000 0.450 762 L N 0.640 121.748 121.223 -0.191 0.000 2.012 762 L HA -0.192 4.149 4.340 0.002 0.000 0.210 762 L C 2.447 179.035 176.870 -0.470 0.000 1.073 762 L CA 2.743 57.301 54.840 -0.470 0.000 0.748 762 L CB -1.091 40.781 42.059 -0.312 0.000 0.891 762 L HN 0.571 nan 8.230 nan 0.000 0.431 763 E N -1.362 118.673 120.200 -0.276 0.000 2.070 763 E HA -0.252 4.099 4.350 0.002 0.000 0.197 763 E C 1.856 178.328 176.600 -0.212 0.000 1.004 763 E CA 2.066 58.338 56.400 -0.213 0.000 0.805 763 E CB -0.076 29.543 29.700 -0.135 0.000 0.744 763 E HN 0.599 nan 8.360 nan 0.000 0.451 764 T N 0.148 114.582 114.554 -0.200 0.000 2.777 764 T HA -0.101 4.250 4.350 0.002 0.000 0.266 764 T C 1.931 176.504 174.700 -0.212 0.000 1.040 764 T CA 1.118 63.118 62.100 -0.167 0.000 1.141 764 T CB -0.134 68.639 68.868 -0.157 0.000 0.868 764 T HN 0.018 nan 8.240 nan 0.000 0.444 765 V N 1.505 121.218 119.914 -0.335 0.000 2.343 765 V HA -0.171 3.950 4.120 0.002 0.000 0.247 765 V C 2.639 178.480 176.094 -0.421 0.000 1.051 765 V CA 1.702 63.752 62.300 -0.416 0.000 1.036 765 V CB -0.600 30.812 31.823 -0.685 0.000 0.654 765 V HN 0.359 nan 8.190 nan 0.000 0.451 766 R N 0.208 120.412 120.500 -0.494 0.000 2.091 766 R HA -0.153 4.188 4.340 0.002 0.000 0.238 766 R C 2.345 178.555 176.300 -0.150 0.000 1.136 766 R CA 1.821 57.735 56.100 -0.309 0.000 0.959 766 R CB -0.742 29.386 30.300 -0.286 0.000 0.856 766 R HN 0.547 nan 8.270 nan 0.000 0.437 767 G N 0.832 109.558 108.800 -0.124 0.000 2.422 767 G HA2 -0.216 3.745 3.960 0.002 0.000 0.218 767 G HA3 -0.216 3.745 3.960 0.002 0.000 0.218 767 G C 1.421 176.330 174.900 0.015 0.000 1.146 767 G CA 0.506 45.585 45.100 -0.036 0.000 0.769 767 G HN 0.261 nan 8.290 nan 0.000 0.547 768 L N 0.281 121.498 121.223 -0.010 0.000 2.353 768 L HA 0.038 4.379 4.340 0.002 0.000 0.220 768 L C 2.567 179.371 176.870 -0.110 0.000 1.133 768 L CA 0.080 54.966 54.840 0.077 0.000 0.798 768 L CB -0.287 41.835 42.059 0.105 0.000 0.922 768 L HN 0.205 nan 8.230 nan 0.000 0.445 769 L N -0.658 120.412 121.223 -0.254 0.000 2.349 769 L HA -0.201 4.140 4.340 0.002 0.000 0.220 769 L C 2.048 178.952 176.870 0.056 0.000 1.130 769 L CA 0.731 55.373 54.840 -0.330 0.000 0.791 769 L CB -0.365 41.603 42.059 -0.151 0.000 0.918 769 L HN 0.375 nan 8.230 nan 0.000 0.444 770 Q N -1.764 118.103 119.800 0.112 0.000 2.282 770 Q HA 0.100 4.441 4.340 0.002 0.000 0.206 770 Q C 0.465 176.609 176.000 0.240 0.000 0.878 770 Q CA 0.143 56.045 55.803 0.164 0.000 0.944 770 Q CB -0.120 28.679 28.738 0.102 0.000 1.100 770 Q HN 0.399 nan 8.270 nan 0.000 0.509 771 H N 1.730 120.937 119.070 0.228 0.000 2.732 771 H HA 0.024 4.581 4.556 0.002 0.000 0.351 771 H C 1.124 176.626 175.328 0.291 0.000 1.090 771 H CA 0.439 56.660 56.048 0.288 0.000 1.431 771 H CB 0.830 30.872 29.762 0.466 0.000 1.447 771 H HN 0.135 nan 8.280 nan 0.000 0.582 772 R N 1.895 122.337 120.500 -0.096 0.000 2.185 772 R HA -0.122 4.219 4.340 0.002 0.000 0.247 772 R C 1.248 177.733 176.300 0.309 0.000 1.159 772 R CA 1.962 58.092 56.100 0.050 0.000 0.988 772 R CB -0.234 29.996 30.300 -0.117 0.000 0.871 772 R HN 0.284 nan 8.270 nan 0.000 0.458 773 S N -0.398 115.715 115.700 0.687 0.000 2.556 773 S HA 0.135 4.606 4.470 0.002 0.000 0.216 773 S C -0.120 174.835 174.600 0.592 0.000 0.970 773 S CA -0.547 58.009 58.200 0.593 0.000 0.912 773 S CB 0.043 63.583 63.200 0.567 0.000 0.790 773 S HN 0.240 nan 8.310 nan 0.000 0.504 774 F N 2.874 123.084 119.950 0.433 0.000 2.384 774 F HA 0.573 5.100 4.527 0.001 0.000 0.338 774 F C 0.196 176.039 175.800 0.072 0.000 1.103 774 F CA 0.011 58.044 58.000 0.056 0.000 1.157 774 F CB 1.292 40.231 39.000 -0.101 0.000 1.167 774 F HN -0.110 nan 8.300 nan 0.000 0.529 775 T N 6.879 120.874 114.554 -0.932 0.000 2.993 775 T HA 0.228 4.579 4.350 0.002 0.000 0.312 775 T C 0.668 174.838 174.700 -0.883 0.000 1.115 775 T CA -0.836 60.893 62.100 -0.618 0.000 1.027 775 T CB 0.961 69.724 68.868 -0.175 0.000 1.116 775 T HN 0.634 nan 8.240 nan 0.000 0.464 776 M N 2.892 122.236 119.600 -0.426 0.000 2.530 776 M HA -0.016 4.465 4.480 0.002 0.000 0.261 776 M C 2.150 178.380 176.300 -0.117 0.000 1.067 776 M CA 1.249 56.441 55.300 -0.180 0.000 1.071 776 M CB -1.331 31.288 32.600 0.032 0.000 1.405 776 M HN 0.812 nan 8.290 nan 0.000 0.478 777 S N -0.817 114.840 115.700 -0.071 0.000 2.603 777 S HA 0.035 4.506 4.470 0.002 0.000 0.220 777 S C 0.677 175.391 174.600 0.191 0.000 0.967 777 S CA -0.270 57.964 58.200 0.057 0.000 0.920 777 S CB -0.219 63.036 63.200 0.093 0.000 0.773 777 S HN 0.452 nan 8.310 nan 0.000 0.529 778 N N 1.633 120.330 118.700 -0.006 0.000 2.483 778 N HA 0.351 5.092 4.740 0.002 0.000 0.267 778 N C -2.622 172.789 175.510 -0.164 0.000 0.998 778 N CA -1.992 50.989 53.050 -0.115 0.000 0.918 778 N CB 2.102 40.379 38.487 -0.351 0.000 1.215 778 N HN -0.139 nan 8.380 nan 0.000 0.500 779 P HA -0.084 nan 4.420 nan 0.000 0.217 779 P C 0.814 178.058 177.300 -0.094 0.000 1.148 779 P CA 1.126 64.173 63.100 -0.088 0.000 0.828 779 P CB 0.486 32.143 31.700 -0.073 0.000 0.783 780 N N -0.884 117.742 118.700 -0.124 0.000 2.106 780 N HA -0.096 4.645 4.740 0.002 0.000 0.188 780 N C 1.721 177.194 175.510 -0.061 0.000 1.029 780 N CA 1.065 54.059 53.050 -0.093 0.000 0.848 780 N CB -0.531 37.886 38.487 -0.116 0.000 1.007 780 N HN 0.084 nan 8.380 nan 0.000 0.423 781 R N 0.924 121.350 120.500 -0.123 0.000 2.081 781 R HA 0.033 4.374 4.340 0.002 0.000 0.235 781 R C 2.338 178.632 176.300 -0.011 0.000 1.131 781 R CA 0.529 56.550 56.100 -0.132 0.000 0.960 781 R CB -1.007 29.036 30.300 -0.428 0.000 0.856 781 R HN 0.351 nan 8.270 nan 0.000 0.436 782 I N 1.012 121.551 120.570 -0.051 0.000 2.163 782 I HA -0.280 3.891 4.170 0.002 0.000 0.243 782 I C 2.582 178.753 176.117 0.091 0.000 1.085 782 I CA 1.467 62.828 61.300 0.101 0.000 1.347 782 I CB -0.279 37.730 38.000 0.014 0.000 1.044 782 I HN 0.124 nan 8.210 nan 0.000 0.408 783 R N 0.237 120.755 120.500 0.030 0.000 2.096 783 R HA -0.088 4.253 4.340 0.002 0.000 0.235 783 R C 2.396 178.732 176.300 0.059 0.000 1.127 783 R CA 1.595 57.712 56.100 0.028 0.000 0.968 783 R CB -0.518 29.780 30.300 -0.002 0.000 0.861 783 R HN 0.288 nan 8.270 nan 0.000 0.440 784 S N 0.923 116.673 115.700 0.084 0.000 2.423 784 S HA -0.070 4.401 4.470 0.002 0.000 0.231 784 S C 1.668 176.368 174.600 0.166 0.000 1.014 784 S CA 0.796 59.080 58.200 0.140 0.000 0.965 784 S CB -0.006 63.332 63.200 0.230 0.000 0.785 784 S HN 0.145 nan 8.310 nan 0.000 0.495 785 L N 0.811 122.104 121.223 0.115 0.000 2.379 785 L HA 0.415 4.755 4.340 0.002 0.000 0.190 785 L C 1.733 178.662 176.870 0.098 0.000 1.111 785 L CA 1.191 56.064 54.840 0.055 0.000 0.820 785 L CB -0.493 41.436 42.059 -0.217 0.000 1.046 785 L HN 0.178 nan 8.230 nan 0.000 0.485 786 I N -0.435 120.202 120.570 0.112 0.000 2.277 786 I HA -0.050 4.121 4.170 0.002 0.000 0.243 786 I C 2.375 178.586 176.117 0.157 0.000 1.094 786 I CA 1.150 62.553 61.300 0.171 0.000 1.393 786 I CB -1.060 36.992 38.000 0.086 0.000 1.078 786 I HN 0.388 nan 8.210 nan 0.000 0.417 787 G N 0.644 109.490 108.800 0.078 0.000 2.408 787 G HA2 -0.177 3.784 3.960 0.002 0.000 0.217 787 G HA3 -0.177 3.784 3.960 0.002 0.000 0.217 787 G C 1.848 176.759 174.900 0.018 0.000 1.150 787 G CA 0.822 45.934 45.100 0.020 0.000 0.776 787 G HN 0.470 nan 8.290 nan 0.000 0.542 788 A N 0.353 123.212 122.820 0.064 0.000 1.930 788 A HA 0.141 4.462 4.320 0.002 0.000 0.217 788 A C 2.107 179.733 177.584 0.071 0.000 1.175 788 A CA 1.403 53.472 52.037 0.053 0.000 0.627 788 A CB -0.482 18.563 19.000 0.076 0.000 0.815 788 A HN 0.376 nan 8.150 nan 0.000 0.443 789 F N 1.122 121.063 119.950 -0.014 0.000 2.051 789 F HA -0.065 4.463 4.527 0.002 0.000 0.296 789 F C 2.516 178.280 175.800 -0.061 0.000 1.122 789 F CA 1.421 59.417 58.000 -0.008 0.000 1.201 789 F CB -0.621 38.407 39.000 0.048 0.000 0.978 789 F HN 0.233 nan 8.300 nan 0.000 0.472 790 A N -0.114 122.615 122.820 -0.151 0.000 1.898 790 A HA 0.017 4.338 4.320 0.002 0.000 0.216 790 A C 2.376 179.553 177.584 -0.678 0.000 1.181 790 A CA 1.698 53.303 52.037 -0.720 0.000 0.620 790 A CB -1.672 16.972 19.000 -0.594 0.000 0.819 790 A HN 0.538 nan 8.150 nan 0.000 0.442 791 G N -2.184 106.420 108.800 -0.326 0.000 2.595 791 G HA2 0.198 4.159 3.960 0.002 0.000 0.213 791 G HA3 0.198 4.159 3.960 0.002 0.000 0.213 791 G C 1.281 176.106 174.900 -0.126 0.000 1.141 791 G CA 1.020 45.990 45.100 -0.217 0.000 0.806 791 G HN 0.466 nan 8.290 nan 0.000 0.530 792 S N -0.002 115.631 115.700 -0.112 0.000 2.603 792 S HA 0.167 4.638 4.470 0.002 0.000 0.232 792 S C 0.574 175.130 174.600 -0.073 0.000 1.016 792 S CA -0.427 57.736 58.200 -0.062 0.000 0.976 792 S CB 0.308 63.491 63.200 -0.028 0.000 0.921 792 S HN 0.248 nan 8.310 nan 0.000 0.516 793 N N 2.220 120.827 118.700 -0.155 0.000 2.990 793 N HA 0.300 5.041 4.740 0.002 0.000 0.288 793 N C -2.453 172.955 175.510 -0.170 0.000 1.624 793 N CA -2.135 50.819 53.050 -0.161 0.000 0.961 793 N CB 0.860 39.233 38.487 -0.190 0.000 1.259 793 N HN -0.002 nan 8.380 nan 0.000 0.489 794 P HA -0.066 nan 4.420 nan 0.000 0.218 794 P C 1.053 178.449 177.300 0.161 0.000 1.148 794 P CA 0.896 64.098 63.100 0.169 0.000 0.822 794 P CB 0.316 32.167 31.700 0.252 0.000 0.784 795 A N -0.060 122.790 122.820 0.051 0.000 1.933 795 A HA -0.074 4.247 4.320 0.002 0.000 0.218 795 A C 2.294 179.868 177.584 -0.016 0.000 1.175 795 A CA 2.169 54.221 52.037 0.024 0.000 0.628 795 A CB -1.413 17.584 19.000 -0.005 0.000 0.814 795 A HN 0.236 nan 8.150 nan 0.000 0.444 796 A N -1.765 121.008 122.820 -0.077 0.000 1.943 796 A HA 0.217 4.537 4.320 0.002 0.000 0.213 796 A C 1.920 179.386 177.584 -0.197 0.000 1.181 796 A CA 1.015 53.004 52.037 -0.079 0.000 0.653 796 A CB -0.599 18.417 19.000 0.026 0.000 0.833 796 A HN 0.616 nan 8.150 nan 0.000 0.451 797 F N 0.644 120.234 119.950 -0.599 0.000 2.202 797 F HA -0.162 4.366 4.527 0.002 0.000 0.301 797 F C 1.622 177.088 175.800 -0.556 0.000 1.082 797 F CA 1.669 59.266 58.000 -0.671 0.000 1.313 797 F CB -0.082 38.467 39.000 -0.751 0.000 1.024 797 F HN 0.361 nan 8.300 nan 0.000 0.495 798 H N 0.335 119.155 119.070 -0.417 0.000 2.488 798 H HA 0.459 5.015 4.556 0.001 0.000 0.294 798 H C 0.782 175.918 175.328 -0.321 0.000 1.088 798 H CA 0.169 55.946 56.048 -0.452 0.000 1.086 798 H CB -0.724 28.930 29.762 -0.180 0.000 1.569 798 H HN 0.186 nan 8.280 nan 0.000 0.548 799 A N 1.266 123.947 122.820 -0.231 0.000 2.616 799 A HA -0.122 4.199 4.320 0.002 0.000 0.234 799 A C 1.493 178.977 177.584 -0.166 0.000 1.024 799 A CA 0.220 52.161 52.037 -0.160 0.000 0.758 799 A CB 0.397 19.314 19.000 -0.139 0.000 0.939 799 A HN 0.495 nan 8.150 nan 0.000 0.510 800 E N 1.328 121.483 120.200 -0.075 0.000 2.153 800 E HA -0.219 4.132 4.350 0.002 0.000 0.194 800 E C 0.774 177.346 176.600 -0.046 0.000 0.988 800 E CA 1.467 57.845 56.400 -0.037 0.000 0.811 800 E CB -0.132 29.562 29.700 -0.010 0.000 0.746 800 E HN 0.947 nan 8.360 nan 0.000 0.466 801 D N -0.205 120.154 120.400 -0.068 0.000 2.363 801 D HA -0.001 4.640 4.640 0.002 0.000 0.226 801 D C 1.277 177.530 176.300 -0.079 0.000 1.020 801 D CA 0.746 54.714 54.000 -0.053 0.000 0.892 801 D CB -0.245 40.526 40.800 -0.048 0.000 0.900 801 D HN 0.197 nan 8.370 nan 0.000 0.531 802 G N 0.399 109.090 108.800 -0.182 0.000 2.166 802 G HA2 -0.392 3.569 3.960 0.002 0.000 0.260 802 G HA3 -0.392 3.569 3.960 0.002 0.000 0.260 802 G C 1.219 175.957 174.900 -0.269 0.000 0.986 802 G CA 1.078 46.006 45.100 -0.286 0.000 0.683 802 G HN 0.634 nan 8.290 nan 0.000 0.527 803 S N -0.746 114.831 115.700 -0.206 0.000 2.399 803 S HA 0.065 4.535 4.470 0.002 0.000 0.231 803 S C 2.482 177.041 174.600 -0.068 0.000 1.022 803 S CA 1.571 59.710 58.200 -0.101 0.000 0.983 803 S CB -0.612 62.544 63.200 -0.073 0.000 0.803 803 S HN 1.483 nan 8.310 nan 0.000 0.480 804 G N 0.775 109.429 108.800 -0.243 0.000 2.418 804 G HA2 -0.119 3.842 3.960 0.002 0.000 0.217 804 G HA3 -0.119 3.842 3.960 0.002 0.000 0.217 804 G C 1.194 176.104 174.900 0.018 0.000 1.158 804 G CA 0.897 45.966 45.100 -0.051 0.000 0.771 804 G HN 0.605 nan 8.290 nan 0.000 0.545 805 Y N 0.750 120.952 120.300 -0.165 0.000 2.224 805 Y HA 0.063 4.614 4.550 0.001 0.000 0.289 805 Y C 2.710 178.654 175.900 0.073 0.000 1.146 805 Y CA 0.145 58.207 58.100 -0.064 0.000 1.182 805 Y CB -0.896 37.474 38.460 -0.149 0.000 0.983 805 Y HN 0.087 nan 8.280 nan 0.000 0.524 806 L N -1.723 119.610 121.223 0.182 0.000 2.056 806 L HA -0.196 4.145 4.340 0.002 0.000 0.207 806 L C 2.349 179.320 176.870 0.169 0.000 1.078 806 L CA 1.301 56.229 54.840 0.147 0.000 0.749 806 L CB -0.709 41.410 42.059 0.101 0.000 0.901 806 L HN 0.160 nan 8.230 nan 0.000 0.433 807 F N 0.914 120.902 119.950 0.064 0.000 2.065 807 F HA -0.292 4.236 4.527 0.001 0.000 0.298 807 F C 2.262 178.121 175.800 0.098 0.000 1.112 807 F CA 1.707 59.737 58.000 0.049 0.000 1.212 807 F CB -0.409 38.601 39.000 0.017 0.000 0.975 807 F HN -0.080 nan 8.300 nan 0.000 0.476 808 L N -0.118 121.134 121.223 0.049 0.000 2.083 808 L HA -0.140 4.200 4.340 0.002 0.000 0.209 808 L C 2.299 179.134 176.870 -0.059 0.000 1.083 808 L CA 1.506 56.324 54.840 -0.037 0.000 0.752 808 L CB -0.938 41.279 42.059 0.263 0.000 0.899 808 L HN 0.078 nan 8.230 nan 0.000 0.433 809 V N -0.079 119.852 119.914 0.029 0.000 2.255 809 V HA -0.345 3.776 4.120 0.002 0.000 0.247 809 V C 2.473 178.542 176.094 -0.042 0.000 1.051 809 V CA 2.220 64.526 62.300 0.011 0.000 1.018 809 V CB -0.749 31.103 31.823 0.050 0.000 0.641 809 V HN 0.527 nan 8.190 nan 0.000 0.445 810 E N -0.469 119.690 120.200 -0.068 0.000 2.085 810 E HA -0.239 4.112 4.350 0.002 0.000 0.194 810 E C 2.243 178.760 176.600 -0.138 0.000 0.994 810 E CA 1.473 57.822 56.400 -0.085 0.000 0.801 810 E CB -0.238 29.422 29.700 -0.066 0.000 0.743 810 E HN 0.421 nan 8.360 nan 0.000 0.453 811 M N 0.111 119.553 119.600 -0.263 0.000 2.200 811 M HA -0.066 4.415 4.480 0.002 0.000 0.265 811 M C 2.278 178.506 176.300 -0.120 0.000 1.066 811 M CA 1.243 56.403 55.300 -0.234 0.000 1.127 811 M CB -0.607 31.763 32.600 -0.383 0.000 1.379 811 M HN 0.152 nan 8.290 nan 0.000 0.420 812 L N -0.689 120.474 121.223 -0.100 0.000 2.313 812 L HA -0.097 4.244 4.340 0.002 0.000 0.214 812 L C 2.285 179.135 176.870 -0.034 0.000 1.119 812 L CA 0.710 55.517 54.840 -0.055 0.000 0.809 812 L CB -0.748 41.289 42.059 -0.036 0.000 0.933 812 L HN 0.283 nan 8.230 nan 0.000 0.449 813 T N -1.014 113.520 114.554 -0.034 0.000 2.746 813 T HA -0.215 4.136 4.350 0.002 0.000 0.267 813 T C 1.603 176.294 174.700 -0.016 0.000 1.039 813 T CA 1.573 63.663 62.100 -0.017 0.000 1.142 813 T CB -0.183 68.678 68.868 -0.012 0.000 0.866 813 T HN 0.393 nan 8.240 nan 0.000 0.444 814 D N 1.355 121.741 120.400 -0.023 0.000 2.084 814 D HA -0.070 4.571 4.640 0.002 0.000 0.194 814 D C 2.107 178.396 176.300 -0.017 0.000 0.990 814 D CA 1.068 55.059 54.000 -0.014 0.000 0.826 814 D CB -0.272 40.522 40.800 -0.010 0.000 0.971 814 D HN 0.327 nan 8.370 nan 0.000 0.453 815 L N 0.480 121.687 121.223 -0.026 0.000 2.201 815 L HA -0.123 4.218 4.340 0.002 0.000 0.212 815 L C 2.379 179.232 176.870 -0.030 0.000 1.105 815 L CA 0.918 55.740 54.840 -0.030 0.000 0.775 815 L CB -0.667 41.370 42.059 -0.037 0.000 0.913 815 L HN 0.112 nan 8.230 nan 0.000 0.440 816 N N -0.090 118.596 118.700 -0.022 0.000 2.137 816 N HA -0.200 4.541 4.740 0.002 0.000 0.190 816 N C 1.761 177.263 175.510 -0.014 0.000 1.017 816 N CA 1.919 54.960 53.050 -0.014 0.000 0.859 816 N CB 0.064 38.550 38.487 -0.001 0.000 1.002 816 N HN 0.155 nan 8.380 nan 0.000 0.428 817 S N -0.745 114.947 115.700 -0.013 0.000 2.421 817 S HA 0.065 4.536 4.470 0.002 0.000 0.224 817 S C 1.772 176.359 174.600 -0.023 0.000 1.035 817 S CA 0.186 58.378 58.200 -0.013 0.000 0.953 817 S CB -0.083 63.113 63.200 -0.007 0.000 0.810 817 S HN 0.382 nan 8.310 nan 0.000 0.497 818 R N 1.433 121.917 120.500 -0.027 0.000 2.062 818 R HA 0.084 4.425 4.340 0.002 0.000 0.226 818 R C -0.023 176.243 176.300 -0.057 0.000 1.125 818 R CA 1.199 57.277 56.100 -0.035 0.000 0.966 818 R CB 0.158 30.441 30.300 -0.028 0.000 0.861 818 R HN 0.235 nan 8.270 nan 0.000 0.433 819 N N -0.678 117.985 118.700 -0.062 0.000 2.824 819 N HA 0.144 4.885 4.740 0.002 0.000 0.224 819 N C -2.514 172.946 175.510 -0.083 0.000 1.418 819 N CA -1.302 51.694 53.050 -0.090 0.000 0.743 819 N CB 1.609 40.039 38.487 -0.095 0.000 1.395 819 N HN -0.098 nan 8.380 nan 0.000 0.548 820 P HA -0.130 nan 4.420 nan 0.000 0.216 820 P C 1.145 178.398 177.300 -0.078 0.000 1.150 820 P CA 1.315 64.379 63.100 -0.061 0.000 0.837 820 P CB 0.523 32.193 31.700 -0.049 0.000 0.786 821 Q N -0.805 118.928 119.800 -0.112 0.000 2.124 821 Q HA -0.100 4.241 4.340 0.002 0.000 0.202 821 Q C 2.083 178.017 176.000 -0.110 0.000 0.977 821 Q CA 1.213 56.941 55.803 -0.125 0.000 0.850 821 Q CB -0.661 27.970 28.738 -0.179 0.000 0.901 821 Q HN 0.131 nan 8.270 nan 0.000 0.429 822 V N 0.657 120.507 119.914 -0.106 0.000 2.453 822 V HA -0.206 3.915 4.120 0.002 0.000 0.247 822 V C 2.202 178.255 176.094 -0.068 0.000 1.048 822 V CA 1.500 63.748 62.300 -0.087 0.000 1.049 822 V CB -0.729 31.044 31.823 -0.082 0.000 0.672 822 V HN 0.370 nan 8.190 nan 0.000 0.457 823 A N -0.705 122.078 122.820 -0.062 0.000 1.908 823 A HA -0.261 4.060 4.320 0.002 0.000 0.218 823 A C 2.553 180.109 177.584 -0.048 0.000 1.181 823 A CA 2.416 54.424 52.037 -0.049 0.000 0.627 823 A CB -0.709 18.268 19.000 -0.038 0.000 0.818 823 A HN 0.492 nan 8.150 nan 0.000 0.445 824 S N -0.989 114.679 115.700 -0.053 0.000 2.395 824 S HA -0.102 4.369 4.470 0.002 0.000 0.225 824 S C 2.131 176.695 174.600 -0.060 0.000 1.027 824 S CA 0.941 59.110 58.200 -0.052 0.000 0.965 824 S CB -0.327 62.840 63.200 -0.053 0.000 0.812 824 S HN 0.612 nan 8.310 nan 0.000 0.482 825 R N 0.113 120.573 120.500 -0.066 0.000 2.091 825 R HA -0.051 4.290 4.340 0.002 0.000 0.238 825 R C 1.896 178.160 176.300 -0.061 0.000 1.136 825 R CA 1.395 57.456 56.100 -0.063 0.000 0.959 825 R CB -0.483 29.778 30.300 -0.065 0.000 0.856 825 R HN 0.327 nan 8.270 nan 0.000 0.437 826 L N 0.376 121.563 121.223 -0.060 0.000 2.291 826 L HA -0.014 4.327 4.340 0.002 0.000 0.214 826 L C 2.024 178.852 176.870 -0.070 0.000 1.120 826 L CA 1.120 55.920 54.840 -0.066 0.000 0.799 826 L CB -0.215 41.810 42.059 -0.057 0.000 0.925 826 L HN 0.169 nan 8.230 nan 0.000 0.446 827 I N -1.117 119.424 120.570 -0.049 0.000 2.928 827 I HA -0.185 3.986 4.170 0.002 0.000 0.266 827 I C 2.249 178.349 176.117 -0.028 0.000 1.234 827 I CA 0.413 61.695 61.300 -0.029 0.000 1.483 827 I CB 0.261 38.250 38.000 -0.018 0.000 1.097 827 I HN 0.222 nan 8.210 nan 0.000 0.455 828 E N 1.640 121.815 120.200 -0.042 0.000 2.086 828 E HA -0.221 4.130 4.350 0.002 0.000 0.200 828 E C -0.779 175.819 176.600 -0.002 0.000 1.012 828 E CA 1.981 58.368 56.400 -0.023 0.000 0.812 828 E CB -1.059 28.623 29.700 -0.030 0.000 0.743 828 E HN 0.355 nan 8.360 nan 0.000 0.453 829 P HA -0.118 nan 4.420 nan 0.000 0.220 829 P C 1.110 178.483 177.300 0.122 0.000 1.148 829 P CA 0.762 63.842 63.100 -0.035 0.000 0.803 829 P CB 0.063 31.525 31.700 -0.396 0.000 0.782 830 L N -0.315 120.972 121.223 0.106 0.000 2.240 830 L HA 0.023 4.363 4.340 0.002 0.000 0.211 830 L C 1.910 178.818 176.870 0.063 0.000 1.106 830 L CA 1.179 56.093 54.840 0.123 0.000 0.793 830 L CB -1.123 40.995 42.059 0.099 0.000 0.927 830 L HN -0.056 nan 8.230 nan 0.000 0.446 831 I N -3.771 116.834 120.570 0.058 0.000 3.444 831 I HA 0.002 4.172 4.170 0.002 0.000 0.287 831 I C 1.302 177.476 176.117 0.094 0.000 1.302 831 I CA 0.472 61.802 61.300 0.051 0.000 1.368 831 I CB -0.349 37.667 38.000 0.027 0.000 1.048 831 I HN -0.030 nan 8.210 nan 0.000 0.487 832 R N 1.954 122.548 120.500 0.157 0.000 2.335 832 R HA 0.189 4.530 4.340 0.002 0.000 0.223 832 R C 2.048 178.532 176.300 0.307 0.000 0.940 832 R CA 0.302 56.543 56.100 0.235 0.000 1.086 832 R CB -0.832 29.673 30.300 0.342 0.000 1.073 832 R HN 0.653 nan 8.270 nan 0.000 0.504 833 L N -1.190 120.150 121.223 0.196 0.000 2.137 833 L HA -0.160 4.181 4.340 0.002 0.000 0.213 833 L C 1.380 178.387 176.870 0.228 0.000 1.085 833 L CA 1.635 56.588 54.840 0.187 0.000 0.760 833 L CB -0.494 41.581 42.059 0.026 0.000 0.893 833 L HN -0.057 nan 8.230 nan 0.000 0.434 834 K N -0.196 120.294 120.400 0.149 0.000 2.504 834 K HA 0.043 4.364 4.320 0.002 0.000 0.195 834 K C 1.807 178.440 176.600 0.055 0.000 1.036 834 K CA 0.272 56.614 56.287 0.092 0.000 0.984 834 K CB 0.066 32.602 32.500 0.060 0.000 0.788 834 K HN 0.277 nan 8.250 nan 0.000 0.488 835 R N -0.189 120.335 120.500 0.040 0.000 2.299 835 R HA 0.069 4.410 4.340 0.002 0.000 0.197 835 R C 0.027 176.053 176.300 -0.456 0.000 0.971 835 R CA 0.550 56.527 56.100 -0.206 0.000 1.030 835 R CB 0.006 30.127 30.300 -0.298 0.000 0.932 835 R HN 0.172 nan 8.270 nan 0.000 0.477 836 Y N 0.390 120.678 120.300 -0.021 0.000 2.567 836 Y HA 0.133 4.684 4.550 0.002 0.000 0.333 836 Y C 0.605 176.486 175.900 -0.031 0.000 1.106 836 Y CA -1.821 56.245 58.100 -0.057 0.000 1.157 836 Y CB 0.700 39.104 38.460 -0.094 0.000 1.277 836 Y HN 0.034 nan 8.280 nan 0.000 0.490 837 D N -0.067 120.401 120.400 0.114 0.000 2.361 837 D HA 0.253 4.894 4.640 0.002 0.000 0.239 837 D C 0.979 177.321 176.300 0.070 0.000 1.200 837 D CA 0.121 54.158 54.000 0.061 0.000 0.915 837 D CB 0.937 41.764 40.800 0.045 0.000 1.170 837 D HN 0.639 nan 8.370 nan 0.000 0.444 838 A N 1.126 123.973 122.820 0.046 0.000 1.892 838 A HA -0.299 4.022 4.320 0.002 0.000 0.218 838 A C 2.028 179.636 177.584 0.041 0.000 1.188 838 A CA 2.083 54.144 52.037 0.039 0.000 0.631 838 A CB -0.906 18.110 19.000 0.028 0.000 0.822 838 A HN 0.725 nan 8.150 nan 0.000 0.447 839 K N -0.607 119.820 120.400 0.044 0.000 2.097 839 K HA -0.125 4.196 4.320 0.002 0.000 0.205 839 K C 2.277 178.915 176.600 0.063 0.000 1.050 839 K CA 1.277 57.592 56.287 0.046 0.000 0.938 839 K CB -0.179 32.347 32.500 0.043 0.000 0.718 839 K HN 0.471 nan 8.250 nan 0.000 0.442 840 R N 0.403 120.952 120.500 0.083 0.000 2.075 840 R HA -0.081 4.260 4.340 0.002 0.000 0.232 840 R C 2.540 178.843 176.300 0.005 0.000 1.126 840 R CA 1.378 57.541 56.100 0.104 0.000 0.963 840 R CB -0.185 30.195 30.300 0.133 0.000 0.858 840 R HN 0.332 nan 8.270 nan 0.000 0.435 841 Q N 0.431 120.251 119.800 0.033 0.000 2.133 841 Q HA -0.269 4.072 4.340 0.002 0.000 0.208 841 Q C 2.078 178.057 176.000 -0.035 0.000 0.991 841 Q CA 1.997 57.800 55.803 0.001 0.000 0.867 841 Q CB -0.041 28.718 28.738 0.035 0.000 0.911 841 Q HN 0.404 nan 8.270 nan 0.000 0.417 842 E N 0.566 120.761 120.200 -0.008 0.000 2.072 842 E HA -0.198 4.153 4.350 0.002 0.000 0.191 842 E C 1.632 178.219 176.600 -0.022 0.000 0.985 842 E CA 1.056 57.453 56.400 -0.006 0.000 0.801 842 E CB 0.140 29.848 29.700 0.013 0.000 0.750 842 E HN 0.219 nan 8.360 nan 0.000 0.452 843 K N -0.087 120.304 120.400 -0.016 0.000 2.097 843 K HA -0.096 4.225 4.320 0.002 0.000 0.205 843 K C 2.231 178.727 176.600 -0.173 0.000 1.050 843 K CA 1.484 57.765 56.287 -0.010 0.000 0.938 843 K CB -0.136 32.456 32.500 0.152 0.000 0.718 843 K HN 0.274 nan 8.250 nan 0.000 0.442 844 M N 0.290 119.665 119.600 -0.375 0.000 2.175 844 M HA -0.103 4.378 4.480 0.002 0.000 0.264 844 M C 2.392 178.569 176.300 -0.204 0.000 1.063 844 M CA 1.313 56.309 55.300 -0.507 0.000 1.119 844 M CB -0.181 32.080 32.600 -0.565 0.000 1.377 844 M HN 0.070 nan 8.290 nan 0.000 0.415 845 R N 0.734 121.161 120.500 -0.121 0.000 2.073 845 R HA -0.129 4.212 4.340 0.002 0.000 0.234 845 R C 2.213 178.489 176.300 -0.039 0.000 1.134 845 R CA 1.744 57.810 56.100 -0.057 0.000 0.952 845 R CB -0.318 29.963 30.300 -0.032 0.000 0.850 845 R HN 0.353 nan 8.270 nan 0.000 0.433 846 A N 0.510 123.310 122.820 -0.033 0.000 1.940 846 A HA -0.150 4.171 4.320 0.002 0.000 0.219 846 A C 2.307 179.890 177.584 -0.002 0.000 1.176 846 A CA 1.831 53.863 52.037 -0.008 0.000 0.631 846 A CB -0.750 18.255 19.000 0.007 0.000 0.814 846 A HN 0.565 nan 8.150 nan 0.000 0.446 847 A N -0.460 122.350 122.820 -0.018 0.000 1.897 847 A HA 0.067 4.388 4.320 0.002 0.000 0.215 847 A C 2.142 179.727 177.584 0.002 0.000 1.181 847 A CA 1.326 53.367 52.037 0.007 0.000 0.620 847 A CB -0.534 18.474 19.000 0.012 0.000 0.821 847 A HN 0.451 nan 8.150 nan 0.000 0.443 848 L N -0.165 121.046 121.223 -0.020 0.000 2.093 848 L HA -0.172 4.169 4.340 0.002 0.000 0.208 848 L C 2.589 179.458 176.870 -0.000 0.000 1.085 848 L CA 1.203 56.037 54.840 -0.011 0.000 0.755 848 L CB -0.553 41.493 42.059 -0.023 0.000 0.904 848 L HN 0.402 nan 8.230 nan 0.000 0.435 849 E N -0.008 120.192 120.200 0.000 0.000 2.085 849 E HA -0.313 4.038 4.350 0.002 0.000 0.194 849 E C 2.051 178.662 176.600 0.019 0.000 0.994 849 E CA 1.268 57.675 56.400 0.011 0.000 0.801 849 E CB -0.288 29.419 29.700 0.011 0.000 0.743 849 E HN 0.577 nan 8.360 nan 0.000 0.453 850 Q N 0.546 120.358 119.800 0.019 0.000 2.061 850 Q HA -0.149 4.192 4.340 0.002 0.000 0.204 850 Q C 2.473 178.489 176.000 0.026 0.000 0.984 850 Q CA 1.123 56.940 55.803 0.024 0.000 0.846 850 Q CB -0.066 28.688 28.738 0.026 0.000 0.902 850 Q HN 0.256 nan 8.270 nan 0.000 0.421 851 L N 0.423 121.661 121.223 0.024 0.000 2.083 851 L HA -0.190 4.151 4.340 0.002 0.000 0.209 851 L C 2.595 179.488 176.870 0.039 0.000 1.083 851 L CA 1.188 56.045 54.840 0.027 0.000 0.752 851 L CB -0.465 41.607 42.059 0.022 0.000 0.899 851 L HN 0.187 nan 8.230 nan 0.000 0.433 852 K N 0.499 120.922 120.400 0.039 0.000 2.211 852 K HA -0.160 4.161 4.320 0.002 0.000 0.204 852 K C 1.707 178.348 176.600 0.067 0.000 1.047 852 K CA 1.364 57.686 56.287 0.059 0.000 0.935 852 K CB -0.178 32.349 32.500 0.044 0.000 0.728 852 K HN 0.392 nan 8.250 nan 0.000 0.452 853 G N 0.808 109.637 108.800 0.049 0.000 3.088 853 G HA2 0.097 4.058 3.960 0.002 0.000 0.212 853 G HA3 0.097 4.058 3.960 0.002 0.000 0.212 853 G C 0.299 175.223 174.900 0.040 0.000 1.173 853 G CA -0.403 44.724 45.100 0.045 0.000 0.779 853 G HN 0.088 nan 8.290 nan 0.000 0.540 854 L N 1.281 122.528 121.223 0.041 0.000 2.525 854 L HA 0.083 4.424 4.340 0.002 0.000 0.278 854 L C 0.935 177.824 176.870 0.031 0.000 1.218 854 L CA -0.069 54.790 54.840 0.032 0.000 0.878 854 L CB 0.546 42.623 42.059 0.031 0.000 1.127 854 L HN 0.233 nan 8.230 nan 0.000 0.492 855 E N 2.181 122.395 120.200 0.023 0.000 2.428 855 E HA -0.075 4.276 4.350 0.002 0.000 0.257 855 E C 0.160 176.770 176.600 0.017 0.000 1.197 855 E CA -0.220 56.191 56.400 0.019 0.000 0.974 855 E CB 0.226 29.935 29.700 0.015 0.000 0.976 855 E HN 0.527 nan 8.360 nan 0.000 0.463 856 N N 1.198 119.905 118.700 0.012 0.000 3.046 856 N HA -0.235 4.506 4.740 0.002 0.000 0.301 856 N C -0.663 174.855 175.510 0.013 0.000 1.069 856 N CA -0.044 53.011 53.050 0.007 0.000 0.855 856 N CB -0.596 37.894 38.487 0.005 0.000 0.940 856 N HN 0.227 nan 8.380 nan 0.000 0.623 857 L N 1.299 122.536 121.223 0.022 0.000 2.534 857 L HA 0.075 4.416 4.340 0.002 0.000 0.271 857 L C 0.492 177.383 176.870 0.035 0.000 1.178 857 L CA -0.096 54.770 54.840 0.045 0.000 0.907 857 L CB 0.158 42.268 42.059 0.084 0.000 1.164 857 L HN 0.467 nan 8.230 nan 0.000 0.482 858 S N 2.928 118.651 115.700 0.039 0.000 2.576 858 S HA 0.314 4.785 4.470 0.002 0.000 0.276 858 S C 1.421 176.064 174.600 0.071 0.000 1.339 858 S CA -0.279 57.940 58.200 0.033 0.000 1.039 858 S CB 1.054 64.265 63.200 0.019 0.000 0.902 858 S HN 0.901 nan 8.310 nan 0.000 0.516 859 G N 1.648 110.479 108.800 0.052 0.000 2.469 859 G HA2 -0.266 3.695 3.960 0.002 0.000 0.219 859 G HA3 -0.266 3.695 3.960 0.002 0.000 0.219 859 G C 0.728 175.716 174.900 0.146 0.000 1.150 859 G CA 1.246 46.405 45.100 0.097 0.000 0.763 859 G HN 0.810 nan 8.290 nan 0.000 0.561 860 D N 0.474 120.921 120.400 0.078 0.000 2.092 860 D HA -0.105 4.535 4.640 0.002 0.000 0.193 860 D C 2.497 178.830 176.300 0.055 0.000 0.994 860 D CA 0.748 54.778 54.000 0.050 0.000 0.828 860 D CB -0.342 40.459 40.800 0.002 0.000 0.963 860 D HN 0.326 nan 8.370 nan 0.000 0.450 861 L N -0.666 120.594 121.223 0.063 0.000 2.156 861 L HA -0.108 4.233 4.340 0.002 0.000 0.208 861 L C 2.286 179.206 176.870 0.083 0.000 1.095 861 L CA 0.677 55.548 54.840 0.050 0.000 0.770 861 L CB -0.422 41.663 42.059 0.043 0.000 0.914 861 L HN 0.119 nan 8.230 nan 0.000 0.439 862 Y N 1.401 121.708 120.300 0.011 0.000 2.128 862 Y HA -0.345 4.206 4.550 0.001 0.000 0.284 862 Y C 2.616 178.534 175.900 0.030 0.000 1.154 862 Y CA 2.181 60.294 58.100 0.022 0.000 1.149 862 Y CB -0.148 38.328 38.460 0.027 0.000 0.976 862 Y HN 0.225 nan 8.280 nan 0.000 0.505 863 E N 0.131 120.380 120.200 0.082 0.000 2.085 863 E HA -0.247 4.104 4.350 0.002 0.000 0.194 863 E C 2.066 178.615 176.600 -0.085 0.000 0.994 863 E CA 1.794 58.191 56.400 -0.005 0.000 0.801 863 E CB -0.093 29.678 29.700 0.120 0.000 0.743 863 E HN 0.521 nan 8.360 nan 0.000 0.453 864 K N 0.033 120.397 120.400 -0.060 0.000 2.031 864 K HA -0.047 4.274 4.320 0.002 0.000 0.205 864 K C 2.263 178.818 176.600 -0.076 0.000 1.049 864 K CA 1.265 57.516 56.287 -0.062 0.000 0.939 864 K CB -0.081 32.389 32.500 -0.049 0.000 0.717 864 K HN 0.214 nan 8.250 nan 0.000 0.438 865 I N 1.454 121.968 120.570 -0.093 0.000 2.226 865 I HA -0.284 3.887 4.170 0.002 0.000 0.245 865 I C 2.590 178.628 176.117 -0.133 0.000 1.100 865 I CA 1.682 62.928 61.300 -0.090 0.000 1.374 865 I CB -0.751 37.208 38.000 -0.069 0.000 1.057 865 I HN 0.336 nan 8.210 nan 0.000 0.413 866 T N -1.366 113.033 114.554 -0.259 0.000 2.857 866 T HA -0.116 4.235 4.350 0.002 0.000 0.266 866 T C 1.821 176.450 174.700 -0.119 0.000 1.048 866 T CA 0.792 62.749 62.100 -0.239 0.000 1.139 866 T CB -0.303 68.311 68.868 -0.424 0.000 0.874 866 T HN 0.279 nan 8.240 nan 0.000 0.455 867 K N 1.536 121.880 120.400 -0.093 0.000 2.097 867 K HA 0.129 4.450 4.320 0.002 0.000 0.206 867 K C 2.740 179.335 176.600 -0.010 0.000 1.049 867 K CA 1.194 57.468 56.287 -0.022 0.000 0.933 867 K CB -0.409 32.097 32.500 0.009 0.000 0.717 867 K HN 0.461 nan 8.250 nan 0.000 0.442 868 A N 1.041 123.848 122.820 -0.022 0.000 1.968 868 A HA -0.060 4.261 4.320 0.002 0.000 0.217 868 A C 1.968 179.549 177.584 -0.005 0.000 1.169 868 A CA 1.067 53.101 52.037 -0.004 0.000 0.638 868 A CB -0.350 18.648 19.000 -0.005 0.000 0.812 868 A HN 0.157 nan 8.150 nan 0.000 0.446 869 L N -0.751 120.460 121.223 -0.020 0.000 2.492 869 L HA 0.150 4.491 4.340 0.002 0.000 0.223 869 L C 1.760 178.629 176.870 -0.002 0.000 1.132 869 L CA 0.016 54.849 54.840 -0.013 0.000 0.850 869 L CB -0.542 41.505 42.059 -0.020 0.000 0.966 869 L HN 0.410 nan 8.230 nan 0.000 0.454 870 A N 0.000 122.819 122.820 -0.001 0.000 2.254 870 A HA 0.000 4.321 4.320 0.002 0.000 0.244 870 A CA 0.000 52.044 52.037 0.011 0.000 0.836 870 A CB 0.000 19.011 19.000 0.018 0.000 0.831 870 A HN 0.000 nan 8.150 nan 0.000 0.486