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 2yxw_1_A DATA FIRST_RESID 31 DATA SEQUENCE RPTLPIPDLL TTDARNRIQL TIGAGQSTFG GKTATTWGYN GNLLGPAVKL DATA SEQUENCE QRGKAVTVDI YNQLTEETTL HWHGLEVPGE VDGGPQGIIP PGGKRSVTLN DATA SEQUENCE VDQPAATCWF HPHQHGKTGR QVAMGLAGLV VIEDDEILKL MLPKQWGIDD DATA SEQUENCE VPVIVQDKKF SADGQIDYQL DVMTAAVGWF GDTLLTNGAI YPQHAAPRGW DATA SEQUENCE LRLRLLNGCN ARSLNFATSD NRPLYVIASD GGLLPEPVKV SELPVLMGER DATA SEQUENCE FEVLVEVNDN KPFDLVTLPV SQMGMAIAPF DKPHPVMRIQ PIAISASGAL DATA SEQUENCE PDTLSSLPAL PSLEGLTVRK LQLSMDGXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXGANKI NGQAFDMNKP MFAAAKGQYE DATA SEQUENCE RWVISGVGDM MLHPFHIHGT QFRILSENGK PPAAHRAGWK DTVKVEGNVS DATA SEQUENCE EVLVKFNHDA PKEHAYMAHC HLLEHEDTGM MLGFTVGH 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 31 R HA 0.000 nan 4.340 nan 0.000 0.208 31 R C 0.000 176.239 176.300 -0.101 0.000 0.893 31 R CA 0.000 56.023 56.100 -0.128 0.000 0.921 31 R CB 0.000 30.264 30.300 -0.061 0.000 0.687 32 P HA 0.159 nan 4.420 nan 0.000 0.272 32 P C -0.715 176.547 177.300 -0.064 0.000 1.223 32 P CA 0.252 63.320 63.100 -0.054 0.000 0.784 32 P CB 0.987 32.670 31.700 -0.028 0.000 0.923 33 T N -0.369 114.157 114.554 -0.046 0.000 2.918 33 T HA 0.204 3.953 4.350 -1.001 0.000 0.302 33 T C 0.438 175.133 174.700 -0.009 0.000 1.045 33 T CA -0.896 61.181 62.100 -0.038 0.000 1.114 33 T CB 0.292 69.140 68.868 -0.033 0.000 0.965 33 T HN 0.310 nan 8.240 nan 0.000 0.540 34 L N 4.110 125.343 121.223 0.017 0.000 2.562 34 L HA 0.321 4.061 4.340 -1.001 0.000 0.271 34 L C -2.321 174.563 176.870 0.025 0.000 1.167 34 L CA -1.405 53.450 54.840 0.025 0.000 0.917 34 L CB -0.399 41.681 42.059 0.036 0.000 1.187 34 L HN 0.504 nan 8.230 nan 0.000 0.482 35 P HA 0.124 nan 4.420 nan 0.000 0.268 35 P C -0.987 176.319 177.300 0.010 0.000 1.205 35 P CA 0.100 63.216 63.100 0.027 0.000 0.771 35 P CB 0.412 32.137 31.700 0.043 0.000 0.858 36 I N 4.607 125.193 120.570 0.026 0.000 2.382 36 I HA 0.280 3.849 4.170 -1.001 0.000 0.285 36 I C -2.106 174.093 176.117 0.137 0.000 1.007 36 I CA -3.117 58.186 61.300 0.005 0.000 1.142 36 I CB 0.693 38.667 38.000 -0.043 0.000 1.289 36 I HN 0.156 nan 8.210 nan 0.000 0.453 37 P HA 0.056 nan 4.420 nan 0.000 0.265 37 P C -0.543 177.011 177.300 0.423 0.000 1.193 37 P CA -0.058 63.214 63.100 0.286 0.000 0.765 37 P CB 0.475 32.360 31.700 0.307 0.000 0.823 38 D N 1.482 122.052 120.400 0.283 0.000 2.458 38 D HA 0.034 4.073 4.640 -1.001 0.000 0.243 38 D C -0.055 176.325 176.300 0.133 0.000 1.146 38 D CA 0.127 54.262 54.000 0.225 0.000 0.877 38 D CB 0.168 41.055 40.800 0.145 0.000 1.176 38 D HN 0.141 nan 8.370 nan 0.000 0.461 39 L N 4.329 125.516 121.223 -0.061 0.000 2.363 39 L HA 0.217 3.956 4.340 -1.001 0.000 0.286 39 L C -1.062 175.698 176.870 -0.184 0.000 1.106 39 L CA -0.418 54.181 54.840 -0.400 0.000 0.859 39 L CB 0.239 41.738 42.059 -0.932 0.000 1.223 39 L HN 0.241 nan 8.230 nan 0.000 0.446 40 L N 5.856 127.018 121.223 -0.101 0.000 2.257 40 L HA 0.593 4.332 4.340 -1.001 0.000 0.290 40 L C 0.310 177.144 176.870 -0.060 0.000 1.044 40 L CA 0.214 55.032 54.840 -0.035 0.000 0.810 40 L CB 1.033 43.112 42.059 0.033 0.000 1.193 40 L HN 0.777 nan 8.230 nan 0.000 0.425 41 T N 0.352 114.871 114.554 -0.059 0.000 2.938 41 T HA 0.642 4.391 4.350 -1.001 0.000 0.285 41 T C 0.315 174.987 174.700 -0.046 0.000 1.028 41 T CA -0.173 61.888 62.100 -0.065 0.000 1.005 41 T CB 0.903 69.729 68.868 -0.070 0.000 1.157 41 T HN 0.714 nan 8.240 nan 0.000 0.550 42 T N 0.263 114.786 114.554 -0.053 0.000 2.856 42 T HA 0.351 4.100 4.350 -1.001 0.000 0.306 42 T C 0.059 174.741 174.700 -0.030 0.000 1.062 42 T CA -0.582 61.492 62.100 -0.044 0.000 1.083 42 T CB -0.035 68.802 68.868 -0.052 0.000 0.984 42 T HN 0.865 nan 8.240 nan 0.000 0.542 43 D N 0.647 121.035 120.400 -0.021 0.000 2.478 43 D HA 0.466 4.505 4.640 -1.001 0.000 0.274 43 D C 1.498 177.787 176.300 -0.017 0.000 1.234 43 D CA -0.441 53.551 54.000 -0.014 0.000 1.069 43 D CB 0.031 40.828 40.800 -0.005 0.000 1.113 43 D HN 0.564 nan 8.370 nan 0.000 0.571 44 A N -0.668 122.144 122.820 -0.013 0.000 2.019 44 A HA -0.144 3.576 4.320 -1.001 0.000 0.219 44 A C 1.976 179.551 177.584 -0.016 0.000 1.164 44 A CA 0.993 53.021 52.037 -0.014 0.000 0.644 44 A CB -0.613 18.381 19.000 -0.010 0.000 0.805 44 A HN 0.507 nan 8.150 nan 0.000 0.449 45 R N -1.317 119.175 120.500 -0.014 0.000 2.313 45 R HA 0.049 3.788 4.340 -1.001 0.000 0.199 45 R C 0.305 176.591 176.300 -0.023 0.000 0.958 45 R CA 0.413 56.504 56.100 -0.015 0.000 1.047 45 R CB -0.207 30.088 30.300 -0.008 0.000 0.955 45 R HN 0.547 nan 8.270 nan 0.000 0.481 46 N N 0.938 119.621 118.700 -0.028 0.000 2.776 46 N HA -0.172 3.968 4.740 -1.001 0.000 0.249 46 N C -1.283 174.200 175.510 -0.045 0.000 1.111 46 N CA 0.678 53.704 53.050 -0.040 0.000 0.711 46 N CB -0.396 38.065 38.487 -0.044 0.000 1.065 46 N HN 0.214 nan 8.380 nan 0.000 0.556 47 R N -0.042 120.439 120.500 -0.032 0.000 2.803 47 R HA 0.683 4.423 4.340 -1.001 0.000 0.276 47 R C -0.308 175.982 176.300 -0.018 0.000 0.978 47 R CA -0.824 55.260 56.100 -0.026 0.000 0.939 47 R CB 1.592 31.889 30.300 -0.005 0.000 1.179 47 R HN 0.141 nan 8.270 nan 0.000 0.472 48 I N 1.382 121.943 120.570 -0.015 0.000 2.545 48 I HA 0.238 3.807 4.170 -1.001 0.000 0.292 48 I C -0.516 175.628 176.117 0.045 0.000 1.040 48 I CA -0.740 60.562 61.300 0.003 0.000 1.068 48 I CB 2.449 40.434 38.000 -0.025 0.000 1.251 48 I HN 0.397 nan 8.210 nan 0.000 0.424 49 Q N 6.561 126.410 119.800 0.081 0.000 2.307 49 Q HA 0.650 4.390 4.340 -1.001 0.000 0.262 49 Q C -1.850 174.242 176.000 0.153 0.000 0.961 49 Q CA -0.600 55.296 55.803 0.155 0.000 0.882 49 Q CB 1.654 30.483 28.738 0.152 0.000 1.264 49 Q HN 0.602 nan 8.270 nan 0.000 0.446 50 L N 3.453 124.791 121.223 0.192 0.000 2.349 50 L HA 0.499 4.238 4.340 -1.001 0.000 0.278 50 L C -0.759 176.282 176.870 0.285 0.000 0.996 50 L CA -0.639 54.320 54.840 0.198 0.000 0.825 50 L CB 2.267 44.379 42.059 0.088 0.000 1.243 50 L HN 0.644 nan 8.230 nan 0.000 0.412 51 T N 4.297 119.010 114.554 0.264 0.000 2.779 51 T HA 0.571 4.320 4.350 -1.001 0.000 0.280 51 T C -0.033 174.796 174.700 0.214 0.000 0.987 51 T CA -0.289 61.949 62.100 0.231 0.000 0.966 51 T CB 1.131 70.065 68.868 0.111 0.000 0.933 51 T HN 0.259 nan 8.240 nan 0.000 0.442 52 I N 2.822 123.492 120.570 0.168 0.000 2.331 52 I HA 0.683 4.252 4.170 -1.001 0.000 0.292 52 I C 0.841 176.912 176.117 -0.078 0.000 0.998 52 I CA -0.301 61.025 61.300 0.043 0.000 1.267 52 I CB 1.227 39.245 38.000 0.031 0.000 1.386 52 I HN 0.734 nan 8.210 nan 0.000 0.476 53 G N 3.866 112.587 108.800 -0.132 0.000 2.660 53 G HA2 0.731 4.090 3.960 -1.001 0.000 0.290 53 G HA3 0.731 4.090 3.960 -1.001 0.000 0.290 53 G C -1.912 172.889 174.900 -0.165 0.000 1.432 53 G CA -0.656 44.347 45.100 -0.162 0.000 0.807 53 G HN 0.738 nan 8.290 nan 0.000 0.485 54 A N -0.874 121.853 122.820 -0.156 0.000 2.324 54 A HA 0.989 4.709 4.320 -1.001 0.000 0.330 54 A C 0.563 178.192 177.584 0.075 0.000 1.165 54 A CA 0.360 52.403 52.037 0.010 0.000 0.813 54 A CB 1.451 20.443 19.000 -0.013 0.000 1.197 54 A HN 2.038 nan 8.150 nan 0.000 0.484 55 G N 0.247 109.133 108.800 0.143 0.000 2.896 55 G HA2 0.572 3.931 3.960 -1.001 0.000 0.247 55 G HA3 0.572 3.931 3.960 -1.001 0.000 0.247 55 G C -1.622 173.350 174.900 0.120 0.000 1.187 55 G CA -0.335 44.826 45.100 0.102 0.000 0.837 55 G HN 0.629 nan 8.290 nan 0.000 0.559 56 Q N -0.169 119.681 119.800 0.083 0.000 2.375 56 Q HA 0.726 4.465 4.340 -1.001 0.000 0.271 56 Q C -1.090 174.925 176.000 0.025 0.000 1.074 56 Q CA -0.521 55.323 55.803 0.069 0.000 0.808 56 Q CB 2.133 30.898 28.738 0.044 0.000 1.327 56 Q HN 0.435 nan 8.270 nan 0.000 0.441 57 S N 0.174 115.872 115.700 -0.003 0.000 2.671 57 S HA 0.743 4.612 4.470 -1.001 0.000 0.299 57 S C -0.721 173.679 174.600 -0.334 0.000 1.116 57 S CA -0.565 57.514 58.200 -0.202 0.000 0.912 57 S CB 1.904 64.927 63.200 -0.294 0.000 1.130 57 S HN 0.475 nan 8.310 nan 0.000 0.501 58 T N 2.128 116.356 114.554 -0.543 0.000 2.824 58 T HA 0.659 4.409 4.350 -1.001 0.000 0.282 58 T C -1.420 172.851 174.700 -0.715 0.000 0.993 58 T CA -0.244 61.593 62.100 -0.438 0.000 0.967 58 T CB 0.189 68.926 68.868 -0.218 0.000 0.960 58 T HN 0.363 nan 8.240 nan 0.000 0.441 59 F N 0.782 120.662 119.950 -0.116 0.000 2.507 59 F HA 0.558 4.484 4.527 -1.003 0.000 0.328 59 F C 1.115 176.799 175.800 -0.192 0.000 1.136 59 F CA -0.916 56.974 58.000 -0.183 0.000 0.930 59 F CB 1.662 40.414 39.000 -0.413 0.000 1.166 59 F HN 0.815 nan 8.300 nan 0.000 0.436 60 G N 1.694 110.515 108.800 0.035 0.000 2.390 60 G HA2 0.079 3.438 3.960 -1.001 0.000 0.299 60 G HA3 0.079 3.438 3.960 -1.001 0.000 0.299 60 G C 1.139 176.027 174.900 -0.020 0.000 1.002 60 G CA 0.735 45.835 45.100 0.001 0.000 0.979 60 G HN 1.948 nan 8.290 nan 0.000 0.513 61 G N -1.590 107.192 108.800 -0.030 0.000 2.168 61 G HA2 -0.297 3.062 3.960 -1.001 0.000 0.263 61 G HA3 -0.297 3.062 3.960 -1.001 0.000 0.263 61 G C 0.290 175.173 174.900 -0.030 0.000 0.977 61 G CA 1.233 46.314 45.100 -0.032 0.000 0.659 61 G HN 1.087 nan 8.290 nan 0.000 0.533 62 K N 1.365 121.746 120.400 -0.032 0.000 2.323 62 K HA 0.538 4.257 4.320 -1.001 0.000 0.259 62 K C 0.583 177.183 176.600 0.001 0.000 0.947 62 K CA -0.040 56.239 56.287 -0.015 0.000 0.819 62 K CB 1.538 34.025 32.500 -0.022 0.000 1.109 62 K HN 0.282 nan 8.250 nan 0.000 0.429 63 T N -0.471 114.091 114.554 0.014 0.000 2.899 63 T HA 0.627 4.377 4.350 -1.001 0.000 0.295 63 T C -0.009 174.759 174.700 0.113 0.000 1.033 63 T CA -0.807 61.311 62.100 0.030 0.000 1.084 63 T CB 1.348 70.228 68.868 0.020 0.000 0.979 63 T HN 0.562 nan 8.240 nan 0.000 0.532 64 A N 1.880 124.803 122.820 0.173 0.000 2.515 64 A HA 0.651 4.370 4.320 -1.001 0.000 0.298 64 A C 0.127 177.843 177.584 0.220 0.000 1.059 64 A CA -1.030 51.164 52.037 0.261 0.000 0.698 64 A CB 1.237 20.533 19.000 0.493 0.000 1.289 64 A HN 0.855 nan 8.150 nan 0.000 0.404 65 T N 2.752 117.415 114.554 0.182 0.000 2.853 65 T HA 0.480 4.229 4.350 -1.001 0.000 0.298 65 T C 0.579 175.381 174.700 0.170 0.000 0.978 65 T CA 1.006 63.208 62.100 0.170 0.000 1.152 65 T CB -0.125 68.835 68.868 0.154 0.000 0.914 65 T HN 1.057 nan 8.240 nan 0.000 0.539 66 T N 0.141 114.820 114.554 0.208 0.000 2.901 66 T HA 0.710 4.459 4.350 -1.001 0.000 0.293 66 T C -1.538 173.373 174.700 0.353 0.000 1.084 66 T CA -1.074 61.134 62.100 0.181 0.000 1.008 66 T CB 1.372 70.388 68.868 0.246 0.000 1.170 66 T HN 0.473 nan 8.240 nan 0.000 0.509 67 W N -0.104 121.197 121.300 0.001 0.000 2.689 67 W HA 0.809 4.865 4.660 -1.006 0.000 0.340 67 W C 0.306 176.771 176.519 -0.091 0.000 1.060 67 W CA -1.051 56.258 57.345 -0.060 0.000 1.218 67 W CB 1.911 31.302 29.460 -0.115 0.000 1.410 67 W HN 1.244 nan 8.180 nan 0.000 0.528 68 G N 0.632 109.486 108.800 0.089 0.000 2.692 68 G HA2 0.609 3.969 3.960 -1.001 0.000 0.291 68 G HA3 0.609 3.969 3.960 -1.001 0.000 0.291 68 G C -2.554 172.284 174.900 -0.104 0.000 1.423 68 G CA -0.790 44.303 45.100 -0.012 0.000 0.843 68 G HN 0.154 nan 8.290 nan 0.000 0.486 69 Y N 0.784 121.178 120.300 0.157 0.000 2.326 69 Y HA 0.311 4.257 4.550 -1.008 0.000 0.337 69 Y C 0.791 176.785 175.900 0.158 0.000 1.023 69 Y CA -0.853 57.354 58.100 0.178 0.000 1.143 69 Y CB 1.387 40.016 38.460 0.282 0.000 1.183 69 Y HN 0.509 nan 8.280 nan 0.000 0.485 70 N N 1.594 120.453 118.700 0.265 0.000 2.714 70 N HA -0.159 3.981 4.740 -1.001 0.000 0.252 70 N C -0.097 175.499 175.510 0.144 0.000 1.014 70 N CA 1.351 54.509 53.050 0.180 0.000 0.735 70 N CB -0.955 37.646 38.487 0.191 0.000 0.924 70 N HN 1.119 nan 8.380 nan 0.000 0.540 71 G N -1.351 107.521 108.800 0.120 0.000 2.341 71 G HA2 0.069 3.429 3.960 -1.001 0.000 0.293 71 G HA3 0.069 3.429 3.960 -1.001 0.000 0.293 71 G C 0.107 175.061 174.900 0.090 0.000 1.298 71 G CA -0.362 44.797 45.100 0.099 0.000 0.868 71 G HN 0.048 nan 8.290 nan 0.000 0.540 72 N N -1.061 117.690 118.700 0.086 0.000 2.424 72 N HA 0.180 4.320 4.740 -1.001 0.000 0.178 72 N C 0.140 175.726 175.510 0.127 0.000 1.060 72 N CA 0.781 53.889 53.050 0.096 0.000 0.901 72 N CB 0.583 39.115 38.487 0.074 0.000 0.979 72 N HN 0.489 nan 8.380 nan 0.000 0.451 73 L N 0.036 121.333 121.223 0.123 0.000 2.545 73 L HA 0.300 4.040 4.340 -1.001 0.000 0.258 73 L C -0.206 176.747 176.870 0.138 0.000 0.942 73 L CA -0.405 54.523 54.840 0.145 0.000 0.855 73 L CB 1.151 43.313 42.059 0.171 0.000 1.374 73 L HN -0.018 nan 8.230 nan 0.000 0.411 74 L N 1.843 123.146 121.223 0.133 0.000 6.963 74 L HA -0.050 3.689 4.340 -1.001 0.000 0.053 74 L C 0.548 177.540 176.870 0.203 0.000 1.740 74 L CA 1.360 56.288 54.840 0.147 0.000 1.613 74 L CB -1.641 40.499 42.059 0.136 0.000 2.780 74 L HN 1.085 nan 8.230 nan 0.000 1.092 75 G N -1.859 107.068 108.800 0.211 0.000 2.356 75 G HA2 0.556 3.915 3.960 -1.001 0.000 0.294 75 G HA3 0.556 3.915 3.960 -1.001 0.000 0.294 75 G C -3.188 171.855 174.900 0.238 0.000 1.423 75 G CA -0.066 45.208 45.100 0.289 0.000 0.806 75 G HN 0.464 nan 8.290 nan 0.000 0.527 76 P HA 0.523 nan 4.420 nan 0.000 0.277 76 P C -0.449 177.030 177.300 0.298 0.000 1.271 76 P CA -0.155 63.107 63.100 0.270 0.000 0.795 76 P CB 1.466 33.314 31.700 0.247 0.000 1.101 77 A N 1.173 124.142 122.820 0.248 0.000 2.294 77 A HA 0.380 4.100 4.320 -1.001 0.000 0.316 77 A C 0.019 177.661 177.584 0.097 0.000 1.359 77 A CA -0.619 51.538 52.037 0.201 0.000 0.956 77 A CB -0.436 18.640 19.000 0.128 0.000 1.155 77 A HN 0.306 nan 8.150 nan 0.000 0.544 78 V N 3.748 123.786 119.914 0.207 0.000 2.479 78 V HA 0.092 3.612 4.120 -1.001 0.000 0.281 78 V C 0.680 176.770 176.094 -0.007 0.000 1.031 78 V CA 0.202 62.557 62.300 0.091 0.000 1.038 78 V CB 0.723 32.622 31.823 0.128 0.000 0.981 78 V HN 0.827 nan 8.190 nan 0.000 0.478 79 K N 6.171 126.519 120.400 -0.086 0.000 2.240 79 K HA 0.648 4.368 4.320 -1.001 0.000 0.271 79 K C -1.181 175.354 176.600 -0.110 0.000 1.018 79 K CA -0.526 55.688 56.287 -0.122 0.000 0.874 79 K CB 0.771 33.163 32.500 -0.180 0.000 1.098 79 K HN 0.603 nan 8.250 nan 0.000 0.458 80 L N 3.265 124.425 121.223 -0.104 0.000 2.341 80 L HA 0.433 4.172 4.340 -1.001 0.000 0.267 80 L C -0.663 176.151 176.870 -0.094 0.000 1.009 80 L CA -1.136 53.634 54.840 -0.117 0.000 0.819 80 L CB 2.293 44.263 42.059 -0.150 0.000 1.323 80 L HN 0.599 nan 8.230 nan 0.000 0.425 81 Q N 1.274 121.019 119.800 -0.092 0.000 2.316 81 Q HA 0.408 4.147 4.340 -1.001 0.000 0.264 81 Q C -0.726 175.229 176.000 -0.076 0.000 0.987 81 Q CA -0.730 55.029 55.803 -0.072 0.000 0.852 81 Q CB 2.560 31.260 28.738 -0.063 0.000 1.287 81 Q HN 0.327 nan 8.270 nan 0.000 0.448 82 R N 1.000 121.461 120.500 -0.065 0.000 2.537 82 R HA 0.106 3.845 4.340 -1.001 0.000 0.281 82 R C 0.653 176.918 176.300 -0.058 0.000 0.988 82 R CA 1.659 57.721 56.100 -0.065 0.000 1.077 82 R CB -0.165 30.103 30.300 -0.053 0.000 0.932 82 R HN 0.957 nan 8.270 nan 0.000 0.409 83 G N 3.048 111.811 108.800 -0.062 0.000 2.176 83 G HA2 -0.297 3.063 3.960 -1.001 0.000 0.253 83 G HA3 -0.297 3.063 3.960 -1.001 0.000 0.253 83 G C -0.192 174.674 174.900 -0.057 0.000 0.979 83 G CA 0.615 45.684 45.100 -0.052 0.000 0.641 83 G HN 0.582 nan 8.290 nan 0.000 0.530 84 K N 1.216 121.574 120.400 -0.070 0.000 2.389 84 K HA 0.767 4.486 4.320 -1.001 0.000 0.261 84 K C 0.476 177.020 176.600 -0.093 0.000 1.014 84 K CA 0.123 56.367 56.287 -0.072 0.000 0.920 84 K CB 0.722 33.181 32.500 -0.068 0.000 1.149 84 K HN 0.822 nan 8.250 nan 0.000 0.444 85 A N 3.305 126.072 122.820 -0.090 0.000 2.462 85 A HA 0.489 4.208 4.320 -1.001 0.000 0.243 85 A C -0.182 177.334 177.584 -0.114 0.000 1.076 85 A CA -0.010 51.961 52.037 -0.109 0.000 0.773 85 A CB 0.061 19.005 19.000 -0.093 0.000 1.010 85 A HN 0.824 nan 8.150 nan 0.000 0.493 86 V N -0.417 119.410 119.914 -0.145 0.000 3.078 86 V HA 0.875 4.394 4.120 -1.001 0.000 0.311 86 V C -0.276 175.727 176.094 -0.150 0.000 1.138 86 V CA -0.566 61.651 62.300 -0.138 0.000 1.007 86 V CB 1.733 33.465 31.823 -0.152 0.000 1.045 86 V HN 0.785 nan 8.190 nan 0.000 0.432 87 T N 2.181 116.665 114.554 -0.117 0.000 2.797 87 T HA 0.675 4.424 4.350 -1.001 0.000 0.279 87 T C -0.509 174.134 174.700 -0.096 0.000 0.991 87 T CA -0.364 61.671 62.100 -0.109 0.000 0.979 87 T CB 1.450 70.272 68.868 -0.077 0.000 0.943 87 T HN 0.767 nan 8.240 nan 0.000 0.444 88 V N 3.853 123.707 119.914 -0.099 0.000 2.384 88 V HA 0.324 3.844 4.120 -1.001 0.000 0.287 88 V C -0.358 175.713 176.094 -0.038 0.000 1.020 88 V CA -0.938 61.331 62.300 -0.052 0.000 0.850 88 V CB 1.491 33.302 31.823 -0.020 0.000 0.987 88 V HN 0.821 nan 8.190 nan 0.000 0.436 89 D N 5.513 125.897 120.400 -0.026 0.000 2.317 89 D HA 0.471 4.510 4.640 -1.001 0.000 0.234 89 D C -0.313 175.907 176.300 -0.134 0.000 1.112 89 D CA 0.081 54.016 54.000 -0.108 0.000 0.840 89 D CB 2.005 42.793 40.800 -0.020 0.000 1.078 89 D HN 0.367 nan 8.370 nan 0.000 0.486 90 I N 2.806 123.226 120.570 -0.250 0.000 2.362 90 I HA 0.203 3.772 4.170 -1.001 0.000 0.289 90 I C -0.749 175.202 176.117 -0.278 0.000 0.994 90 I CA -0.859 60.361 61.300 -0.134 0.000 1.158 90 I CB 0.782 38.743 38.000 -0.065 0.000 1.315 90 I HN 0.145 nan 8.210 nan 0.000 0.451 91 Y N 4.429 124.750 120.300 0.035 0.000 2.356 91 Y HA 0.294 4.243 4.550 -1.002 0.000 0.334 91 Y C 0.349 176.258 175.900 0.016 0.000 0.958 91 Y CA -0.843 57.269 58.100 0.020 0.000 1.196 91 Y CB 0.869 39.339 38.460 0.017 0.000 1.137 91 Y HN 0.469 nan 8.280 nan 0.000 0.485 92 N N 3.412 122.171 118.700 0.099 0.000 2.439 92 N HA 0.081 4.221 4.740 -1.001 0.000 0.243 92 N C -0.098 175.415 175.510 0.005 0.000 1.088 92 N CA 0.076 53.144 53.050 0.031 0.000 0.940 92 N CB 0.637 39.119 38.487 -0.009 0.000 1.180 92 N HN 0.729 nan 8.380 nan 0.000 0.505 93 Q N 2.684 122.469 119.800 -0.025 0.000 2.204 93 Q HA 0.237 3.976 4.340 -1.001 0.000 0.209 93 Q C 0.064 175.976 176.000 -0.147 0.000 0.861 93 Q CA -0.203 55.566 55.803 -0.057 0.000 0.971 93 Q CB 0.565 29.284 28.738 -0.032 0.000 1.095 93 Q HN 0.554 nan 8.270 nan 0.000 0.486 94 L N 0.272 121.355 121.223 -0.233 0.000 2.476 94 L HA 0.095 3.835 4.340 -1.001 0.000 0.255 94 L C 1.639 178.380 176.870 -0.215 0.000 1.218 94 L CA 0.147 54.772 54.840 -0.358 0.000 0.819 94 L CB 0.405 42.111 42.059 -0.589 0.000 1.119 94 L HN 0.118 nan 8.230 nan 0.000 0.485 95 T N -3.348 111.085 114.554 -0.201 0.000 3.107 95 T HA 0.114 3.863 4.350 -1.001 0.000 0.249 95 T C 0.213 174.865 174.700 -0.079 0.000 1.096 95 T CA -0.269 61.770 62.100 -0.102 0.000 1.012 95 T CB -0.344 68.490 68.868 -0.057 0.000 0.977 95 T HN 0.717 nan 8.240 nan 0.000 0.527 96 E N 0.877 121.006 120.200 -0.118 0.000 2.359 96 E HA 0.443 4.193 4.350 -1.001 0.000 0.266 96 E C -0.698 175.860 176.600 -0.070 0.000 0.920 96 E CA -1.292 55.072 56.400 -0.059 0.000 0.788 96 E CB 1.260 30.957 29.700 -0.006 0.000 1.279 96 E HN 0.492 nan 8.360 nan 0.000 0.438 97 E N 0.991 121.178 120.200 -0.021 0.000 2.392 97 E HA 0.316 4.066 4.350 -1.001 0.000 0.259 97 E C -0.572 176.032 176.600 0.006 0.000 1.108 97 E CA -0.430 55.965 56.400 -0.008 0.000 0.916 97 E CB 1.439 31.148 29.700 0.015 0.000 0.989 97 E HN 0.469 nan 8.360 nan 0.000 0.432 98 T N -0.132 114.432 114.554 0.017 0.000 2.731 98 T HA 0.466 4.216 4.350 -1.001 0.000 0.300 98 T C -1.242 173.496 174.700 0.063 0.000 1.283 98 T CA -0.055 62.075 62.100 0.050 0.000 1.005 98 T CB 1.711 70.603 68.868 0.040 0.000 1.420 98 T HN 0.788 nan 8.240 nan 0.000 0.503 99 T N -0.022 114.586 114.554 0.091 0.000 2.887 99 T HA 0.768 4.518 4.350 -1.001 0.000 0.292 99 T C -1.392 173.350 174.700 0.071 0.000 1.087 99 T CA -0.830 61.317 62.100 0.078 0.000 1.009 99 T CB 1.487 70.414 68.868 0.098 0.000 1.203 99 T HN 0.600 nan 8.240 nan 0.000 0.518 100 L N 2.119 123.334 121.223 -0.013 0.000 2.415 100 L HA 0.551 4.290 4.340 -1.001 0.000 0.268 100 L C -1.305 175.369 176.870 -0.327 0.000 0.984 100 L CA -0.754 53.976 54.840 -0.182 0.000 0.853 100 L CB 1.158 43.034 42.059 -0.305 0.000 1.215 100 L HN 1.011 nan 8.230 nan 0.000 0.419 101 H N 3.455 122.271 119.070 -0.423 0.000 2.458 101 H HA 0.411 4.358 4.556 -1.016 0.000 0.330 101 H C -1.661 173.320 175.328 -0.579 0.000 1.111 101 H CA -0.425 55.391 56.048 -0.386 0.000 1.245 101 H CB 0.978 30.637 29.762 -0.172 0.000 1.456 101 H HN 0.463 nan 8.280 nan 0.000 0.488 102 W N 5.326 126.139 121.300 -0.811 0.000 2.289 102 W HA 0.194 4.247 4.660 -1.012 0.000 0.342 102 W C -0.105 175.885 176.519 -0.880 0.000 0.958 102 W CA -0.860 56.117 57.345 -0.615 0.000 1.492 102 W CB -0.246 29.012 29.460 -0.338 0.000 1.336 102 W HN 0.686 nan 8.180 nan 0.000 0.371 103 H N 1.867 120.420 119.070 -0.863 0.000 3.026 103 H HA 0.358 4.609 4.556 -0.508 0.000 0.289 103 H C 1.427 176.691 175.328 -0.107 0.000 1.022 103 H CA 1.474 57.215 56.048 -0.512 0.000 1.477 103 H CB 0.400 29.752 29.762 -0.682 0.000 1.510 103 H HN 0.792 nan 8.280 nan 0.000 0.535 104 G N 4.089 112.982 108.800 0.155 0.000 2.213 104 G HA2 -0.243 3.116 3.960 -1.001 0.000 0.226 104 G HA3 -0.243 3.116 3.960 -1.001 0.000 0.226 104 G C 0.065 174.992 174.900 0.046 0.000 0.992 104 G CA -0.001 45.201 45.100 0.171 0.000 0.632 104 G HN 0.606 nan 8.290 nan 0.000 0.511 105 L N 1.361 122.590 121.223 0.009 0.000 2.349 105 L HA 0.386 4.126 4.340 -1.001 0.000 0.275 105 L C 0.346 177.184 176.870 -0.054 0.000 1.115 105 L CA -0.265 54.550 54.840 -0.042 0.000 0.820 105 L CB 0.966 42.979 42.059 -0.077 0.000 1.135 105 L HN 0.222 nan 8.230 nan 0.000 0.445 106 E N 3.629 123.783 120.200 -0.077 0.000 1.936 106 E HA 0.281 4.030 4.350 -1.001 0.000 0.267 106 E C -0.734 175.717 176.600 -0.249 0.000 1.076 106 E CA -0.261 56.117 56.400 -0.037 0.000 0.870 106 E CB 0.768 30.496 29.700 0.046 0.000 1.093 106 E HN 0.385 nan 8.360 nan 0.000 0.411 107 V N 0.135 119.924 119.914 -0.208 0.000 3.040 107 V HA 0.619 4.138 4.120 -1.001 0.000 0.312 107 V C -2.782 173.278 176.094 -0.057 0.000 1.115 107 V CA -3.309 58.785 62.300 -0.344 0.000 0.998 107 V CB 1.739 33.434 31.823 -0.213 0.000 1.042 107 V HN 0.227 nan 8.190 nan 0.000 0.433 108 P HA 0.191 nan 4.420 nan 0.000 0.268 108 P C 1.193 178.506 177.300 0.023 0.000 1.208 108 P CA 0.809 63.952 63.100 0.072 0.000 0.777 108 P CB 0.697 32.396 31.700 -0.002 0.000 0.875 109 G N 1.735 110.410 108.800 -0.209 0.000 2.503 109 G HA2 -0.336 3.023 3.960 -1.001 0.000 0.221 109 G HA3 -0.336 3.023 3.960 -1.001 0.000 0.221 109 G C 1.407 176.220 174.900 -0.145 0.000 1.131 109 G CA 0.926 45.828 45.100 -0.330 0.000 0.756 109 G HN 0.592 nan 8.290 nan 0.000 0.572 110 E N -0.116 119.956 120.200 -0.213 0.000 2.147 110 E HA -0.159 3.590 4.350 -1.001 0.000 0.199 110 E C 2.307 178.741 176.600 -0.278 0.000 1.005 110 E CA 1.773 57.890 56.400 -0.473 0.000 0.810 110 E CB -0.081 29.392 29.700 -0.378 0.000 0.736 110 E HN 0.490 nan 8.360 nan 0.000 0.460 111 V N -2.487 117.355 119.914 -0.119 0.000 3.319 111 V HA 0.216 3.735 4.120 -1.001 0.000 0.317 111 V C 1.123 177.290 176.094 0.121 0.000 1.411 111 V CA 0.553 62.839 62.300 -0.024 0.000 1.112 111 V CB 0.509 32.292 31.823 -0.067 0.000 1.031 111 V HN 0.032 nan 8.190 nan 0.000 0.448 112 D N 2.413 122.898 120.400 0.141 0.000 2.264 112 D HA 0.088 4.127 4.640 -1.001 0.000 0.208 112 D C 1.839 178.335 176.300 0.327 0.000 0.966 112 D CA 1.612 55.791 54.000 0.298 0.000 0.864 112 D CB -0.252 40.767 40.800 0.365 0.000 0.933 112 D HN 0.787 nan 8.370 nan 0.000 0.499 113 G N -0.479 108.424 108.800 0.172 0.000 2.249 113 G HA2 -0.203 3.157 3.960 -1.001 0.000 0.273 113 G HA3 -0.203 3.157 3.960 -1.001 0.000 0.273 113 G C 0.699 175.654 174.900 0.092 0.000 1.036 113 G CA 0.387 45.555 45.100 0.113 0.000 0.824 113 G HN 0.643 nan 8.290 nan 0.000 0.504 114 G N 0.060 108.859 108.800 -0.002 0.000 2.583 114 G HA2 0.512 3.871 3.960 -1.001 0.000 0.275 114 G HA3 0.512 3.871 3.960 -1.001 0.000 0.275 114 G C -0.095 174.750 174.900 -0.092 0.000 1.342 114 G CA 0.047 45.003 45.100 -0.238 0.000 1.030 114 G HN 0.178 nan 8.290 nan 0.000 0.520 115 P HA -0.100 nan 4.420 nan 0.000 0.221 115 P C 1.271 178.591 177.300 0.032 0.000 1.145 115 P CA 1.214 64.334 63.100 0.032 0.000 0.795 115 P CB 0.165 31.896 31.700 0.052 0.000 0.775 116 Q N -0.469 119.333 119.800 0.003 0.000 2.378 116 Q HA 0.060 3.799 4.340 -1.001 0.000 0.205 116 Q C 1.763 177.787 176.000 0.039 0.000 0.954 116 Q CA 0.782 56.593 55.803 0.014 0.000 0.901 116 Q CB -0.517 28.223 28.738 0.003 0.000 0.981 116 Q HN 0.218 nan 8.270 nan 0.000 0.483 117 G N 1.153 109.976 108.800 0.039 0.000 3.353 117 G HA2 0.130 3.490 3.960 -1.001 0.000 0.247 117 G HA3 0.130 3.490 3.960 -1.001 0.000 0.247 117 G C 0.064 174.985 174.900 0.034 0.000 1.025 117 G CA -0.333 44.789 45.100 0.036 0.000 1.863 117 G HN 0.087 nan 8.290 nan 0.000 0.635 118 I N 1.238 121.829 120.570 0.035 0.000 2.618 118 I HA 0.092 3.661 4.170 -1.001 0.000 0.284 118 I C 0.453 176.581 176.117 0.018 0.000 1.146 118 I CA -0.031 61.289 61.300 0.034 0.000 1.425 118 I CB 0.823 38.843 38.000 0.034 0.000 1.383 118 I HN 0.129 nan 8.210 nan 0.000 0.562 119 I N 8.512 129.091 120.570 0.015 0.000 2.359 119 I HA 0.255 3.824 4.170 -1.001 0.000 0.284 119 I C -2.144 173.971 176.117 -0.003 0.000 1.018 119 I CA -1.886 59.413 61.300 -0.000 0.000 1.173 119 I CB 1.522 39.520 38.000 -0.004 0.000 1.326 119 I HN 0.286 nan 8.210 nan 0.000 0.462 120 P HA 0.192 nan 4.420 nan 0.000 0.272 120 P C -2.582 174.709 177.300 -0.015 0.000 1.230 120 P CA -1.748 61.349 63.100 -0.006 0.000 0.788 120 P CB -0.429 31.269 31.700 -0.003 0.000 0.949 121 P HA -0.019 nan 4.420 nan 0.000 0.261 121 P C 1.101 178.390 177.300 -0.018 0.000 1.183 121 P CA 1.519 64.598 63.100 -0.035 0.000 0.761 121 P CB -0.478 31.201 31.700 -0.036 0.000 0.785 122 G N 2.195 110.987 108.800 -0.014 0.000 2.162 122 G HA2 -0.180 3.180 3.960 -1.001 0.000 0.260 122 G HA3 -0.180 3.180 3.960 -1.001 0.000 0.260 122 G C 0.592 175.510 174.900 0.030 0.000 0.976 122 G CA -0.093 45.014 45.100 0.011 0.000 0.655 122 G HN 0.886 nan 8.290 nan 0.000 0.533 123 G N -0.657 108.151 108.800 0.013 0.000 2.504 123 G HA2 0.574 3.934 3.960 -1.001 0.000 0.288 123 G HA3 0.574 3.934 3.960 -1.001 0.000 0.288 123 G C -0.256 174.633 174.900 -0.019 0.000 1.182 123 G CA 0.151 45.252 45.100 0.001 0.000 0.894 123 G HN 0.538 nan 8.290 nan 0.000 0.521 124 K N -0.169 120.188 120.400 -0.072 0.000 2.371 124 K HA 0.587 4.306 4.320 -1.001 0.000 0.251 124 K C -0.906 175.587 176.600 -0.178 0.000 0.934 124 K CA -0.853 55.305 56.287 -0.215 0.000 0.798 124 K CB 1.885 34.227 32.500 -0.264 0.000 1.204 124 K HN 0.525 nan 8.250 nan 0.000 0.427 125 R N 2.093 122.464 120.500 -0.216 0.000 2.564 125 R HA 0.328 4.067 4.340 -1.001 0.000 0.284 125 R C -1.554 174.654 176.300 -0.152 0.000 1.031 125 R CA -0.478 55.539 56.100 -0.138 0.000 0.904 125 R CB 2.038 32.289 30.300 -0.082 0.000 1.199 125 R HN 0.690 nan 8.270 nan 0.000 0.443 126 S N 2.657 118.286 115.700 -0.118 0.000 2.472 126 S HA 0.541 4.411 4.470 -1.001 0.000 0.303 126 S C -0.655 173.901 174.600 -0.073 0.000 1.099 126 S CA -0.757 57.383 58.200 -0.100 0.000 1.077 126 S CB 1.807 64.950 63.200 -0.096 0.000 1.031 126 S HN 0.454 nan 8.310 nan 0.000 0.487 127 V N 0.229 120.105 119.914 -0.063 0.000 2.709 127 V HA 0.734 4.253 4.120 -1.001 0.000 0.308 127 V C -0.384 175.638 176.094 -0.119 0.000 1.062 127 V CA -0.661 61.596 62.300 -0.072 0.000 0.901 127 V CB 1.573 33.387 31.823 -0.015 0.000 1.003 127 V HN 0.692 nan 8.190 nan 0.000 0.425 128 T N 6.272 120.745 114.554 -0.134 0.000 2.744 128 T HA 0.621 4.371 4.350 -1.001 0.000 0.291 128 T C -0.208 174.360 174.700 -0.219 0.000 0.957 128 T CA -0.140 61.865 62.100 -0.159 0.000 1.002 128 T CB 0.631 69.426 68.868 -0.122 0.000 0.919 128 T HN 0.622 nan 8.240 nan 0.000 0.468 129 L N 4.168 125.219 121.223 -0.287 0.000 2.272 129 L HA 0.483 4.223 4.340 -1.001 0.000 0.289 129 L C 0.350 177.060 176.870 -0.266 0.000 1.032 129 L CA -0.831 53.792 54.840 -0.362 0.000 0.810 129 L CB 0.842 42.567 42.059 -0.557 0.000 1.205 129 L HN 0.490 nan 8.230 nan 0.000 0.422 130 N N 3.177 121.738 118.700 -0.231 0.000 2.898 130 N HA 0.211 4.351 4.740 -1.001 0.000 0.245 130 N C -0.872 174.539 175.510 -0.165 0.000 1.185 130 N CA -0.345 52.605 53.050 -0.167 0.000 0.879 130 N CB 0.967 39.381 38.487 -0.121 0.000 1.157 130 N HN 0.228 nan 8.380 nan 0.000 0.503 131 V N 2.067 121.880 119.914 -0.170 0.000 2.529 131 V HA 0.098 3.618 4.120 -1.001 0.000 0.292 131 V C 0.337 176.372 176.094 -0.098 0.000 1.028 131 V CA 0.126 62.334 62.300 -0.154 0.000 1.074 131 V CB 0.941 32.669 31.823 -0.159 0.000 0.958 131 V HN 0.547 nan 8.190 nan 0.000 0.481 132 D N 4.233 124.590 120.400 -0.072 0.000 2.656 132 D HA 0.325 4.365 4.640 -1.001 0.000 0.303 132 D C -0.288 175.979 176.300 -0.055 0.000 1.199 132 D CA -0.323 53.655 54.000 -0.037 0.000 0.797 132 D CB 0.390 41.203 40.800 0.022 0.000 1.170 132 D HN 0.761 nan 8.370 nan 0.000 0.509 133 Q N -0.480 119.265 119.800 -0.091 0.000 2.575 133 Q HA 0.616 4.356 4.340 -1.001 0.000 0.290 133 Q C -3.038 172.886 176.000 -0.126 0.000 0.963 133 Q CA -1.987 53.731 55.803 -0.142 0.000 0.783 133 Q CB 1.721 30.361 28.738 -0.164 0.000 1.467 133 Q HN -0.125 nan 8.270 nan 0.000 0.402 134 P HA 0.129 nan 4.420 nan 0.000 0.272 134 P C -0.660 176.605 177.300 -0.058 0.000 1.240 134 P CA -0.015 63.031 63.100 -0.090 0.000 0.791 134 P CB 0.214 31.861 31.700 -0.088 0.000 0.978 135 A N 0.820 123.628 122.820 -0.020 0.000 2.587 135 A HA 0.412 4.132 4.320 -1.001 0.000 0.235 135 A C 0.384 177.977 177.584 0.014 0.000 1.044 135 A CA 1.170 53.206 52.037 -0.001 0.000 0.754 135 A CB -1.125 17.884 19.000 0.015 0.000 0.968 135 A HN 0.714 nan 8.150 nan 0.000 0.509 136 A N 1.638 124.471 122.820 0.022 0.000 2.567 136 A HA 0.668 4.387 4.320 -1.001 0.000 0.291 136 A C -0.360 177.259 177.584 0.059 0.000 1.048 136 A CA -0.302 51.759 52.037 0.039 0.000 0.661 136 A CB 0.454 19.467 19.000 0.021 0.000 1.288 136 A HN 1.052 nan 8.150 nan 0.000 0.424 137 T N 1.336 115.934 114.554 0.073 0.000 2.781 137 T HA 0.505 4.254 4.350 -1.001 0.000 0.305 137 T C -0.076 174.694 174.700 0.117 0.000 1.001 137 T CA -0.109 62.051 62.100 0.100 0.000 0.950 137 T CB -0.313 68.612 68.868 0.095 0.000 0.955 137 T HN 0.719 nan 8.240 nan 0.000 0.471 138 C N 3.553 122.955 119.300 0.170 0.000 2.548 138 C HA 0.862 4.722 4.460 -1.001 0.000 0.412 138 C C -0.306 174.925 174.990 0.403 0.000 1.588 138 C CA -0.719 58.457 59.018 0.264 0.000 1.861 138 C CB 1.018 28.882 27.740 0.208 0.000 1.983 138 C HN 0.988 nan 8.230 nan 0.000 0.497 139 W N 0.086 121.455 121.300 0.116 0.000 2.988 139 W HA 0.709 4.984 4.660 -0.641 0.000 0.355 139 W C -2.070 174.561 176.519 0.188 0.000 1.233 139 W CA -1.731 55.681 57.345 0.112 0.000 1.176 139 W CB 0.453 29.900 29.460 -0.022 0.000 1.477 139 W HN 0.730 nan 8.180 nan 0.000 0.582 140 F N 0.572 120.530 119.950 0.013 0.000 2.601 140 F HA 0.802 4.732 4.527 -0.995 0.000 0.309 140 F C -1.016 174.619 175.800 -0.275 0.000 1.089 140 F CA -1.124 56.611 58.000 -0.442 0.000 0.940 140 F CB 1.663 40.218 39.000 -0.742 0.000 1.273 140 F HN 0.694 nan 8.300 nan 0.000 0.450 141 H N -0.869 118.076 119.070 -0.208 0.000 2.987 141 H HA 0.682 4.610 4.556 -1.047 0.000 0.316 141 H C -3.547 171.805 175.328 0.042 0.000 1.380 141 H CA -2.255 53.754 56.048 -0.065 0.000 1.160 141 H CB 1.107 30.704 29.762 -0.275 0.000 1.865 141 H HN 0.421 nan 8.280 nan 0.000 0.521 142 P HA 0.129 nan 4.420 nan 0.000 0.272 142 P C -0.310 177.117 177.300 0.213 0.000 1.230 142 P CA 0.139 63.375 63.100 0.225 0.000 0.788 142 P CB 0.766 32.582 31.700 0.193 0.000 0.949 143 H N -0.020 119.116 119.070 0.110 0.000 2.750 143 H HA 0.138 4.092 4.556 -1.002 0.000 0.239 143 H C 0.023 175.376 175.328 0.041 0.000 1.210 143 H CA -0.382 55.701 56.048 0.059 0.000 0.936 143 H CB 0.356 30.123 29.762 0.008 0.000 2.074 143 H HN 0.361 nan 8.280 nan 0.000 0.622 144 Q N 1.358 121.253 119.800 0.157 0.000 2.286 144 Q HA -0.073 3.667 4.340 -1.001 0.000 0.290 144 Q C -0.063 176.040 176.000 0.173 0.000 1.049 144 Q CA 0.309 56.199 55.803 0.144 0.000 0.923 144 Q CB -0.083 28.716 28.738 0.103 0.000 1.183 144 Q HN 0.496 nan 8.270 nan 0.000 0.383 145 H N 3.708 122.831 119.070 0.089 0.000 3.187 145 H HA 0.081 4.035 4.556 -1.003 0.000 0.286 145 H C 0.985 176.363 175.328 0.083 0.000 0.944 145 H CA 0.824 56.938 56.048 0.110 0.000 1.429 145 H CB 0.038 29.884 29.762 0.141 0.000 1.483 145 H HN 1.027 nan 8.280 nan 0.000 0.555 146 G N 4.603 113.411 108.800 0.014 0.000 2.179 146 G HA2 -0.296 3.064 3.960 -1.001 0.000 0.260 146 G HA3 -0.296 3.064 3.960 -1.001 0.000 0.260 146 G C 0.722 175.601 174.900 -0.036 0.000 0.977 146 G CA 0.583 45.632 45.100 -0.084 0.000 0.641 146 G HN 0.666 nan 8.290 nan 0.000 0.533 147 K N -0.455 119.931 120.400 -0.024 0.000 2.589 147 K HA 0.206 3.925 4.320 -1.001 0.000 0.198 147 K C 1.682 178.222 176.600 -0.101 0.000 1.114 147 K CA 0.470 56.722 56.287 -0.058 0.000 1.070 147 K CB 0.485 32.968 32.500 -0.029 0.000 0.860 147 K HN 0.188 nan 8.250 nan 0.000 0.536 148 T N 0.595 115.096 114.554 -0.088 0.000 2.746 148 T HA -0.135 3.614 4.350 -1.001 0.000 0.267 148 T C 1.925 176.501 174.700 -0.207 0.000 1.039 148 T CA 1.943 63.962 62.100 -0.135 0.000 1.142 148 T CB -0.191 68.550 68.868 -0.213 0.000 0.866 148 T HN 0.499 nan 8.240 nan 0.000 0.444 149 G N 1.295 109.974 108.800 -0.201 0.000 2.446 149 G HA2 -0.286 3.073 3.960 -1.001 0.000 0.217 149 G HA3 -0.286 3.073 3.960 -1.001 0.000 0.217 149 G C 1.563 176.012 174.900 -0.751 0.000 1.168 149 G CA 1.026 45.970 45.100 -0.260 0.000 0.771 149 G HN 0.452 nan 8.290 nan 0.000 0.551 150 R N 0.102 119.996 120.500 -1.010 0.000 2.075 150 R HA -0.040 3.699 4.340 -1.001 0.000 0.232 150 R C 2.663 178.437 176.300 -0.877 0.000 1.126 150 R CA 1.599 56.829 56.100 -1.451 0.000 0.963 150 R CB -0.263 29.454 30.300 -0.971 0.000 0.858 150 R HN 0.447 nan 8.270 nan 0.000 0.435 151 Q N -0.344 119.171 119.800 -0.475 0.000 2.123 151 Q HA -0.078 3.661 4.340 -1.001 0.000 0.199 151 Q C 2.153 178.015 176.000 -0.229 0.000 0.966 151 Q CA 1.407 57.062 55.803 -0.246 0.000 0.845 151 Q CB 0.225 29.015 28.738 0.086 0.000 0.907 151 Q HN 0.226 nan 8.270 nan 0.000 0.439 152 V N 1.115 120.893 119.914 -0.227 0.000 2.358 152 V HA -0.240 3.280 4.120 -1.001 0.000 0.246 152 V C 2.324 178.277 176.094 -0.234 0.000 1.047 152 V CA 1.756 63.974 62.300 -0.137 0.000 1.035 152 V CB -0.928 30.847 31.823 -0.079 0.000 0.658 152 V HN 0.355 nan 8.190 nan 0.000 0.452 153 A N -0.482 122.052 122.820 -0.477 0.000 1.940 153 A HA -0.220 3.499 4.320 -1.001 0.000 0.219 153 A C 2.161 179.433 177.584 -0.520 0.000 1.176 153 A CA 1.883 53.549 52.037 -0.617 0.000 0.631 153 A CB -0.452 17.730 19.000 -1.364 0.000 0.814 153 A HN 0.414 nan 8.150 nan 0.000 0.446 154 M N -1.875 117.334 119.600 -0.652 0.000 2.476 154 M HA 0.050 3.930 4.480 -1.001 0.000 0.262 154 M C 1.619 177.693 176.300 -0.376 0.000 1.079 154 M CA 1.328 56.182 55.300 -0.743 0.000 1.104 154 M CB -0.703 30.927 32.600 -1.616 0.000 1.409 154 M HN 0.751 nan 8.290 nan 0.000 0.467 155 G N -0.305 108.384 108.800 -0.185 0.000 2.425 155 G HA2 -0.105 3.254 3.960 -1.001 0.000 0.177 155 G HA3 -0.105 3.254 3.960 -1.001 0.000 0.177 155 G C 0.046 174.968 174.900 0.037 0.000 0.999 155 G CA -0.621 44.478 45.100 -0.002 0.000 0.723 155 G HN 0.325 nan 8.290 nan 0.000 0.491 156 L N 1.669 122.902 121.223 0.016 0.000 2.385 156 L HA 0.604 4.343 4.340 -1.001 0.000 0.281 156 L C 0.547 177.534 176.870 0.195 0.000 1.106 156 L CA 0.507 55.332 54.840 -0.025 0.000 0.856 156 L CB 0.920 42.938 42.059 -0.070 0.000 1.186 156 L HN 0.504 nan 8.230 nan 0.000 0.453 157 A N 2.947 125.934 122.820 0.277 0.000 2.594 157 A HA 0.815 4.535 4.320 -1.001 0.000 0.296 157 A C -0.580 177.001 177.584 -0.005 0.000 1.056 157 A CA -0.028 52.167 52.037 0.263 0.000 0.693 157 A CB 1.534 20.737 19.000 0.338 0.000 1.278 157 A HN 0.689 nan 8.150 nan 0.000 0.408 158 G N -0.290 108.128 108.800 -0.636 0.000 2.766 158 G HA2 0.674 4.033 3.960 -1.001 0.000 0.288 158 G HA3 0.674 4.033 3.960 -1.001 0.000 0.288 158 G C -1.369 173.252 174.900 -0.464 0.000 1.408 158 G CA -0.716 43.879 45.100 -0.842 0.000 0.852 158 G HN 0.794 nan 8.290 nan 0.000 0.487 159 L N -0.580 120.654 121.223 0.017 0.000 2.322 159 L HA 0.739 4.479 4.340 -1.001 0.000 0.269 159 L C -0.587 176.546 176.870 0.437 0.000 1.012 159 L CA -1.192 53.808 54.840 0.266 0.000 0.815 159 L CB 2.364 44.574 42.059 0.251 0.000 1.295 159 L HN 0.220 nan 8.230 nan 0.000 0.438 160 V N 2.009 122.146 119.914 0.372 0.000 2.483 160 V HA 0.351 3.870 4.120 -1.001 0.000 0.297 160 V C -0.389 175.801 176.094 0.160 0.000 1.027 160 V CA -0.643 61.826 62.300 0.281 0.000 0.855 160 V CB 1.983 33.983 31.823 0.296 0.000 0.995 160 V HN 0.373 nan 8.190 nan 0.000 0.424 161 V N 6.581 126.537 119.914 0.071 0.000 2.328 161 V HA 0.460 3.979 4.120 -1.001 0.000 0.278 161 V C -0.015 176.071 176.094 -0.012 0.000 1.021 161 V CA -0.244 62.071 62.300 0.025 0.000 0.838 161 V CB 1.313 33.096 31.823 -0.068 0.000 0.999 161 V HN 0.677 nan 8.190 nan 0.000 0.447 162 I N 4.925 125.495 120.570 0.001 0.000 2.331 162 I HA 0.447 4.016 4.170 -1.001 0.000 0.292 162 I C 0.332 176.437 176.117 -0.020 0.000 0.998 162 I CA -0.253 61.030 61.300 -0.028 0.000 1.267 162 I CB 1.179 39.160 38.000 -0.033 0.000 1.386 162 I HN 0.576 nan 8.210 nan 0.000 0.476 163 E N 4.815 124.995 120.200 -0.033 0.000 2.235 163 E HA 0.448 4.197 4.350 -1.001 0.000 0.265 163 E C -1.417 175.167 176.600 -0.027 0.000 0.940 163 E CA -0.779 55.608 56.400 -0.022 0.000 0.819 163 E CB 2.211 31.897 29.700 -0.024 0.000 1.206 163 E HN 0.627 nan 8.360 nan 0.000 0.409 164 D N -0.438 119.952 120.400 -0.016 0.000 2.652 164 D HA 0.160 4.199 4.640 -1.001 0.000 0.285 164 D C -0.090 176.204 176.300 -0.009 0.000 1.173 164 D CA -0.523 53.467 54.000 -0.017 0.000 0.981 164 D CB 0.381 41.171 40.800 -0.017 0.000 1.440 164 D HN 0.097 nan 8.370 nan 0.000 0.485 165 D N -0.507 119.888 120.400 -0.008 0.000 2.183 165 D HA -0.099 3.940 4.640 -1.001 0.000 0.203 165 D C 1.415 177.717 176.300 0.003 0.000 0.969 165 D CA 0.892 54.890 54.000 -0.003 0.000 0.842 165 D CB 0.129 40.926 40.800 -0.004 0.000 0.957 165 D HN 0.654 nan 8.370 nan 0.000 0.484 166 E N 0.525 120.729 120.200 0.006 0.000 2.031 166 E HA -0.149 3.600 4.350 -1.001 0.000 0.193 166 E C 2.198 178.806 176.600 0.013 0.000 0.994 166 E CA 0.587 56.995 56.400 0.012 0.000 0.800 166 E CB -0.114 29.598 29.700 0.020 0.000 0.752 166 E HN 0.212 nan 8.360 nan 0.000 0.447 167 I N 0.628 121.207 120.570 0.015 0.000 2.394 167 I HA -0.210 3.360 4.170 -1.001 0.000 0.251 167 I C 1.896 178.021 176.117 0.015 0.000 1.136 167 I CA 0.680 61.991 61.300 0.018 0.000 1.425 167 I CB 0.139 38.154 38.000 0.025 0.000 1.079 167 I HN 0.202 nan 8.210 nan 0.000 0.425 168 L N 0.312 121.542 121.223 0.012 0.000 2.376 168 L HA -0.134 3.605 4.340 -1.001 0.000 0.219 168 L C 2.078 178.953 176.870 0.009 0.000 1.133 168 L CA 0.891 55.738 54.840 0.011 0.000 0.816 168 L CB -0.453 41.610 42.059 0.007 0.000 0.933 168 L HN 0.149 nan 8.230 nan 0.000 0.449 169 K N -0.001 120.403 120.400 0.006 0.000 2.418 169 K HA 0.044 3.764 4.320 -1.001 0.000 0.195 169 K C 1.751 178.350 176.600 -0.001 0.000 1.035 169 K CA 0.473 56.762 56.287 0.004 0.000 1.003 169 K CB 0.176 32.679 32.500 0.004 0.000 0.793 169 K HN 0.301 nan 8.250 nan 0.000 0.494 170 L N 0.533 121.755 121.223 -0.002 0.000 2.492 170 L HA 0.079 3.818 4.340 -1.001 0.000 0.223 170 L C 0.232 177.088 176.870 -0.023 0.000 1.132 170 L CA 0.048 54.880 54.840 -0.014 0.000 0.850 170 L CB -0.250 41.801 42.059 -0.013 0.000 0.966 170 L HN 0.287 nan 8.230 nan 0.000 0.454 171 M N -0.300 119.293 119.600 -0.011 0.000 2.461 171 M HA -0.209 3.670 4.480 -1.001 0.000 0.203 171 M C -0.173 176.113 176.300 -0.024 0.000 0.428 171 M CA 0.908 56.202 55.300 -0.010 0.000 0.509 171 M CB -2.526 30.065 32.600 -0.014 0.000 1.851 171 M HN 0.138 nan 8.290 nan 0.000 0.834 172 L N 0.518 121.731 121.223 -0.017 0.000 2.453 172 L HA 0.318 4.058 4.340 -1.001 0.000 0.261 172 L C -1.412 175.472 176.870 0.024 0.000 1.179 172 L CA -1.676 53.152 54.840 -0.019 0.000 0.813 172 L CB 0.184 42.241 42.059 -0.004 0.000 1.110 172 L HN -0.037 nan 8.230 nan 0.000 0.466 173 P HA -0.024 nan 4.420 nan 0.000 0.262 173 P C -0.569 176.784 177.300 0.089 0.000 1.182 173 P CA 0.322 63.472 63.100 0.083 0.000 0.761 173 P CB 0.270 32.037 31.700 0.111 0.000 0.795 174 K N 1.184 121.644 120.400 0.100 0.000 2.582 174 K HA 0.143 3.862 4.320 -1.001 0.000 0.204 174 K C -0.205 176.486 176.600 0.153 0.000 1.221 174 K CA -0.287 56.072 56.287 0.121 0.000 1.048 174 K CB 0.366 32.919 32.500 0.089 0.000 1.011 174 K HN 0.290 nan 8.250 nan 0.000 0.597 175 Q N 2.098 121.982 119.800 0.140 0.000 2.389 175 Q HA 0.097 3.836 4.340 -1.001 0.000 0.244 175 Q C -1.122 174.999 176.000 0.201 0.000 1.056 175 Q CA -0.619 55.277 55.803 0.156 0.000 0.908 175 Q CB 0.536 29.341 28.738 0.113 0.000 1.273 175 Q HN 0.263 nan 8.270 nan 0.000 0.471 176 W N 2.932 124.258 121.300 0.043 0.000 2.347 176 W HA 0.079 4.129 4.660 -1.016 0.000 0.333 176 W C 0.783 177.333 176.519 0.052 0.000 1.383 176 W CA 1.714 59.083 57.345 0.040 0.000 1.283 176 W CB 0.488 29.970 29.460 0.037 0.000 1.253 176 W HN 0.971 nan 8.180 nan 0.000 0.563 177 G N 4.259 112.771 108.800 -0.481 0.000 2.184 177 G HA2 -0.345 3.014 3.960 -1.001 0.000 0.264 177 G HA3 -0.345 3.014 3.960 -1.001 0.000 0.264 177 G C 0.423 175.333 174.900 0.016 0.000 0.975 177 G CA 0.631 45.547 45.100 -0.307 0.000 0.642 177 G HN 0.593 nan 8.290 nan 0.000 0.536 178 I N -0.353 120.245 120.570 0.047 0.000 3.632 178 I HA 0.212 3.782 4.170 -1.001 0.000 0.246 178 I C 1.725 177.950 176.117 0.180 0.000 1.125 178 I CA 0.859 62.243 61.300 0.139 0.000 1.519 178 I CB 0.089 38.140 38.000 0.086 0.000 1.555 178 I HN 0.120 nan 8.210 nan 0.000 0.452 179 D N -1.410 119.049 120.400 0.098 0.000 2.469 179 D HA 0.054 4.093 4.640 -1.001 0.000 0.213 179 D C -0.014 176.314 176.300 0.047 0.000 1.135 179 D CA 0.084 54.140 54.000 0.093 0.000 0.834 179 D CB 0.138 41.005 40.800 0.111 0.000 1.009 179 D HN 0.041 nan 8.370 nan 0.000 0.507 180 D N 0.761 121.160 120.400 -0.002 0.000 2.454 180 D HA 0.316 4.355 4.640 -1.001 0.000 0.247 180 D C -1.340 174.789 176.300 -0.285 0.000 1.129 180 D CA -0.690 53.293 54.000 -0.028 0.000 0.877 180 D CB 1.464 42.341 40.800 0.128 0.000 1.082 180 D HN -0.182 nan 8.370 nan 0.000 0.537 181 V N 5.974 125.677 119.914 -0.353 0.000 2.444 181 V HA 0.512 4.032 4.120 -1.001 0.000 0.294 181 V C -2.129 173.680 176.094 -0.476 0.000 1.022 181 V CA -1.627 60.330 62.300 -0.572 0.000 0.850 181 V CB 1.972 33.450 31.823 -0.575 0.000 0.992 181 V HN 0.454 nan 8.190 nan 0.000 0.426 182 P HA 0.294 nan 4.420 nan 0.000 0.279 182 P C -0.893 176.268 177.300 -0.232 0.000 1.239 182 P CA -0.177 62.757 63.100 -0.276 0.000 0.789 182 P CB 1.627 33.233 31.700 -0.156 0.000 0.933 183 V N 4.974 124.785 119.914 -0.171 0.000 2.443 183 V HA 0.289 3.808 4.120 -1.001 0.000 0.272 183 V C 0.262 176.287 176.094 -0.115 0.000 1.002 183 V CA -0.316 61.891 62.300 -0.155 0.000 0.840 183 V CB 0.794 32.494 31.823 -0.204 0.000 1.042 183 V HN 0.407 nan 8.190 nan 0.000 0.446 184 I N 4.552 125.079 120.570 -0.073 0.000 2.297 184 I HA 0.384 3.953 4.170 -1.001 0.000 0.291 184 I C -0.275 175.834 176.117 -0.014 0.000 1.033 184 I CA -0.507 60.750 61.300 -0.070 0.000 1.253 184 I CB 1.493 39.459 38.000 -0.055 0.000 1.396 184 I HN 0.250 nan 8.210 nan 0.000 0.476 185 V N 6.883 126.802 119.914 0.008 0.000 2.398 185 V HA 0.439 3.959 4.120 -1.001 0.000 0.286 185 V C -0.160 175.950 176.094 0.028 0.000 1.026 185 V CA -0.471 61.876 62.300 0.077 0.000 0.868 185 V CB 1.360 33.318 31.823 0.225 0.000 0.982 185 V HN 0.716 nan 8.190 nan 0.000 0.443 186 Q N 2.762 122.583 119.800 0.035 0.000 2.309 186 Q HA 0.390 4.129 4.340 -1.001 0.000 0.273 186 Q C -1.625 174.380 176.000 0.008 0.000 1.040 186 Q CA -0.889 54.923 55.803 0.015 0.000 0.834 186 Q CB 2.987 31.751 28.738 0.043 0.000 1.345 186 Q HN 0.897 nan 8.270 nan 0.000 0.414 187 D N 1.330 121.699 120.400 -0.051 0.000 2.277 187 D HA 0.487 4.527 4.640 -1.001 0.000 0.250 187 D C -0.639 175.572 176.300 -0.149 0.000 1.032 187 D CA -0.441 53.504 54.000 -0.091 0.000 0.947 187 D CB 1.647 42.327 40.800 -0.200 0.000 1.159 187 D HN 0.259 nan 8.370 nan 0.000 0.460 188 K N -0.118 120.134 120.400 -0.246 0.000 2.508 188 K HA 0.361 4.080 4.320 -1.001 0.000 0.260 188 K C -0.863 175.345 176.600 -0.654 0.000 0.949 188 K CA -0.951 55.034 56.287 -0.504 0.000 0.834 188 K CB 2.849 35.013 32.500 -0.561 0.000 1.365 188 K HN 0.335 nan 8.250 nan 0.000 0.437 189 K N 2.357 122.241 120.400 -0.860 0.000 2.265 189 K HA 0.389 4.108 4.320 -1.001 0.000 0.267 189 K C -1.474 174.902 176.600 -0.374 0.000 0.994 189 K CA -0.362 55.608 56.287 -0.530 0.000 0.860 189 K CB 0.541 32.660 32.500 -0.636 0.000 1.099 189 K HN 0.326 nan 8.250 nan 0.000 0.448 190 F N 1.980 121.901 119.950 -0.047 0.000 2.480 190 F HA 0.306 4.233 4.527 -1.000 0.000 0.329 190 F C 0.707 176.509 175.800 0.003 0.000 1.091 190 F CA -0.592 57.405 58.000 -0.004 0.000 0.972 190 F CB 1.959 40.943 39.000 -0.027 0.000 1.150 190 F HN 0.551 nan 8.300 nan 0.000 0.467 191 S N 1.280 117.103 115.700 0.205 0.000 2.661 191 S HA 0.567 4.437 4.470 -1.001 0.000 0.265 191 S C 1.081 175.753 174.600 0.120 0.000 1.225 191 S CA -0.272 58.001 58.200 0.122 0.000 0.986 191 S CB 1.224 64.478 63.200 0.090 0.000 1.008 191 S HN 0.776 nan 8.310 nan 0.000 0.565 192 A N 0.979 123.845 122.820 0.076 0.000 1.933 192 A HA -0.101 3.618 4.320 -1.001 0.000 0.218 192 A C 1.634 179.254 177.584 0.060 0.000 1.175 192 A CA 1.662 53.734 52.037 0.058 0.000 0.628 192 A CB -1.328 17.695 19.000 0.039 0.000 0.814 192 A HN 0.944 nan 8.150 nan 0.000 0.444 193 D N -1.756 118.685 120.400 0.068 0.000 2.392 193 D HA 0.207 4.246 4.640 -1.001 0.000 0.228 193 D C 1.219 177.568 176.300 0.083 0.000 1.003 193 D CA 1.087 55.127 54.000 0.066 0.000 0.917 193 D CB -0.712 40.127 40.800 0.065 0.000 0.890 193 D HN 0.857 nan 8.370 nan 0.000 0.532 194 G N -0.961 107.903 108.800 0.107 0.000 2.175 194 G HA2 -0.256 3.103 3.960 -1.001 0.000 0.244 194 G HA3 -0.256 3.103 3.960 -1.001 0.000 0.244 194 G C 0.104 175.155 174.900 0.253 0.000 0.982 194 G CA -0.098 45.070 45.100 0.114 0.000 0.641 194 G HN 0.360 nan 8.290 nan 0.000 0.527 195 Q N -0.008 119.944 119.800 0.254 0.000 2.260 195 Q HA 0.568 4.307 4.340 -1.001 0.000 0.238 195 Q C 1.012 177.192 176.000 0.299 0.000 0.948 195 Q CA -0.580 55.381 55.803 0.264 0.000 0.895 195 Q CB 1.226 30.052 28.738 0.148 0.000 1.218 195 Q HN 0.497 nan 8.270 nan 0.000 0.470 196 I N 1.548 122.222 120.570 0.174 0.000 2.618 196 I HA -0.110 3.460 4.170 -1.001 0.000 0.284 196 I C 0.440 176.566 176.117 0.016 0.000 1.146 196 I CA 0.271 61.538 61.300 -0.055 0.000 1.425 196 I CB 0.216 38.113 38.000 -0.172 0.000 1.383 196 I HN 0.390 nan 8.210 nan 0.000 0.562 197 D N 6.985 127.432 120.400 0.079 0.000 2.472 197 D HA 0.198 4.238 4.640 -1.001 0.000 0.234 197 D C -1.401 175.045 176.300 0.244 0.000 1.088 197 D CA -0.229 53.844 54.000 0.121 0.000 0.882 197 D CB 0.333 41.188 40.800 0.091 0.000 1.037 197 D HN 0.330 nan 8.370 nan 0.000 0.520 198 Y N 3.220 123.476 120.300 -0.073 0.000 2.326 198 Y HA 0.427 4.375 4.550 -1.002 0.000 0.329 198 Y C -1.299 174.496 175.900 -0.175 0.000 0.973 198 Y CA -0.567 57.372 58.100 -0.268 0.000 1.162 198 Y CB 1.182 39.207 38.460 -0.725 0.000 1.147 198 Y HN 0.174 nan 8.280 nan 0.000 0.456 199 Q N 6.200 125.752 119.800 -0.413 0.000 2.271 199 Q HA 0.237 3.977 4.340 -1.001 0.000 0.268 199 Q C -1.500 174.283 176.000 -0.362 0.000 1.021 199 Q CA -0.932 54.731 55.803 -0.233 0.000 0.802 199 Q CB 2.708 31.387 28.738 -0.098 0.000 1.282 199 Q HN 0.850 nan 8.270 nan 0.000 0.431 200 L N 4.530 125.632 121.223 -0.203 0.000 2.480 200 L HA 0.137 3.877 4.340 -1.001 0.000 0.243 200 L C -0.270 176.567 176.870 -0.055 0.000 1.315 200 L CA 0.044 54.808 54.840 -0.127 0.000 1.231 200 L CB -0.735 41.337 42.059 0.021 0.000 1.444 200 L HN 0.456 nan 8.230 nan 0.000 0.409 201 D N 0.180 120.538 120.400 -0.069 0.000 2.478 201 D HA 0.098 4.137 4.640 -1.001 0.000 0.274 201 D C 1.245 177.543 176.300 -0.003 0.000 1.234 201 D CA -0.510 53.472 54.000 -0.029 0.000 1.069 201 D CB 0.418 41.197 40.800 -0.035 0.000 1.113 201 D HN -0.003 nan 8.370 nan 0.000 0.571 202 V N -0.729 119.190 119.914 0.009 0.000 2.343 202 V HA -0.231 3.289 4.120 -1.001 0.000 0.247 202 V C 2.384 178.503 176.094 0.041 0.000 1.051 202 V CA 2.169 64.485 62.300 0.027 0.000 1.036 202 V CB -0.729 31.109 31.823 0.024 0.000 0.654 202 V HN 0.531 nan 8.190 nan 0.000 0.451 203 M N 0.319 119.938 119.600 0.031 0.000 2.099 203 M HA -0.132 3.747 4.480 -1.001 0.000 0.262 203 M C 2.156 178.495 176.300 0.065 0.000 1.067 203 M CA 2.151 57.480 55.300 0.048 0.000 1.124 203 M CB -0.840 31.779 32.600 0.031 0.000 1.353 203 M HN 0.323 nan 8.290 nan 0.000 0.410 204 T N 0.608 115.177 114.554 0.025 0.000 2.759 204 T HA -0.090 3.659 4.350 -1.001 0.000 0.269 204 T C 1.795 176.543 174.700 0.081 0.000 1.042 204 T CA 1.549 63.665 62.100 0.026 0.000 1.140 204 T CB -0.704 68.122 68.868 -0.070 0.000 0.864 204 T HN 0.551 nan 8.240 nan 0.000 0.455 205 A N 1.074 123.944 122.820 0.084 0.000 1.969 205 A HA 0.266 3.985 4.320 -1.001 0.000 0.218 205 A C 2.550 180.275 177.584 0.236 0.000 1.169 205 A CA 1.654 53.777 52.037 0.143 0.000 0.635 205 A CB -0.836 18.226 19.000 0.104 0.000 0.810 205 A HN 0.511 nan 8.150 nan 0.000 0.445 206 A N -0.380 122.555 122.820 0.191 0.000 1.861 206 A HA 0.139 3.858 4.320 -1.001 0.000 0.212 206 A C 2.226 180.003 177.584 0.321 0.000 1.199 206 A CA 1.858 54.035 52.037 0.233 0.000 0.613 206 A CB -0.913 18.170 19.000 0.139 0.000 0.846 206 A HN 1.100 nan 8.150 nan 0.000 0.446 207 V N -3.787 116.248 119.914 0.202 0.000 3.174 207 V HA 0.549 4.069 4.120 -1.001 0.000 0.254 207 V C 1.037 177.194 176.094 0.105 0.000 1.120 207 V CA 0.698 63.089 62.300 0.152 0.000 1.114 207 V CB -0.905 31.010 31.823 0.152 0.000 0.756 207 V HN 1.786 nan 8.190 nan 0.000 0.467 208 G N -1.034 107.845 108.800 0.132 0.000 2.570 208 G HA2 -0.151 3.209 3.960 -1.001 0.000 0.686 208 G HA3 -0.151 3.209 3.960 -1.001 0.000 0.686 208 G C -1.186 173.861 174.900 0.245 0.000 1.257 208 G CA -0.351 44.831 45.100 0.135 0.000 0.846 208 G HN 0.959 nan 8.290 nan 0.000 0.627 209 W N 2.360 123.678 121.300 0.029 0.000 2.335 209 W HA 0.697 4.750 4.660 -1.013 0.000 0.306 209 W C 0.136 176.691 176.519 0.060 0.000 1.216 209 W CA -0.579 56.734 57.345 -0.053 0.000 1.237 209 W CB 0.251 29.692 29.460 -0.031 0.000 1.243 209 W HN 0.729 nan 8.180 nan 0.000 0.493 210 F N 4.251 123.852 119.950 -0.581 0.000 2.643 210 F HA 0.972 4.896 4.527 -1.005 0.000 0.314 210 F C -0.165 175.158 175.800 -0.794 0.000 1.096 210 F CA -1.181 56.440 58.000 -0.631 0.000 0.953 210 F CB 1.009 39.787 39.000 -0.370 0.000 1.345 210 F HN 0.506 nan 8.300 nan 0.000 0.468 211 G N -0.075 108.427 108.800 -0.496 0.000 2.866 211 G HA2 0.414 3.773 3.960 -1.001 0.000 0.289 211 G HA3 0.414 3.773 3.960 -1.001 0.000 0.289 211 G C -1.405 173.516 174.900 0.035 0.000 1.396 211 G CA -0.333 44.525 45.100 -0.404 0.000 0.848 211 G HN 0.830 nan 8.290 nan 0.000 0.515 212 D N -1.407 119.040 120.400 0.078 0.000 2.349 212 D HA 0.142 4.181 4.640 -1.001 0.000 0.214 212 D C 0.448 176.865 176.300 0.196 0.000 1.063 212 D CA 0.108 54.242 54.000 0.222 0.000 0.847 212 D CB 0.394 41.257 40.800 0.105 0.000 0.933 212 D HN 0.157 nan 8.370 nan 0.000 0.513 213 T N 1.095 115.762 114.554 0.188 0.000 2.792 213 T HA 0.458 4.207 4.350 -1.001 0.000 0.280 213 T C -0.783 174.036 174.700 0.198 0.000 0.990 213 T CA -0.659 61.559 62.100 0.197 0.000 0.960 213 T CB 1.811 70.847 68.868 0.280 0.000 0.939 213 T HN 0.000 nan 8.240 nan 0.000 0.439 214 L N 4.697 126.037 121.223 0.195 0.000 2.307 214 L HA 0.644 4.384 4.340 -1.001 0.000 0.284 214 L C -1.199 175.780 176.870 0.181 0.000 1.023 214 L CA -0.510 54.428 54.840 0.163 0.000 0.810 214 L CB 0.733 42.838 42.059 0.076 0.000 1.231 214 L HN 0.573 nan 8.230 nan 0.000 0.423 215 L N 3.912 125.229 121.223 0.157 0.000 2.334 215 L HA 0.655 4.395 4.340 -1.001 0.000 0.276 215 L C -0.423 176.538 176.870 0.151 0.000 1.014 215 L CA -0.608 54.342 54.840 0.184 0.000 0.815 215 L CB 1.984 44.162 42.059 0.198 0.000 1.268 215 L HN 0.505 nan 8.230 nan 0.000 0.428 216 T N 1.243 115.888 114.554 0.151 0.000 2.892 216 T HA 0.232 3.981 4.350 -1.001 0.000 0.311 216 T C -0.059 174.690 174.700 0.082 0.000 1.033 216 T CA -0.512 61.652 62.100 0.106 0.000 0.991 216 T CB 0.550 69.484 68.868 0.110 0.000 0.981 216 T HN 0.609 nan 8.240 nan 0.000 0.457 217 N N 2.229 120.966 118.700 0.061 0.000 2.710 217 N HA -0.239 3.900 4.740 -1.001 0.000 0.249 217 N C 1.250 176.825 175.510 0.109 0.000 1.059 217 N CA 1.753 54.841 53.050 0.063 0.000 0.720 217 N CB -1.331 37.171 38.487 0.025 0.000 0.983 217 N HN 1.286 nan 8.380 nan 0.000 0.544 218 G N -2.927 105.969 108.800 0.160 0.000 2.199 218 G HA2 -0.100 3.260 3.960 -1.001 0.000 0.254 218 G HA3 -0.100 3.260 3.960 -1.001 0.000 0.254 218 G C 0.187 175.261 174.900 0.289 0.000 0.982 218 G CA 0.705 45.956 45.100 0.252 0.000 0.632 218 G HN 1.191 nan 8.290 nan 0.000 0.529 219 A N -0.140 122.798 122.820 0.196 0.000 2.320 219 A HA 0.824 4.544 4.320 -1.001 0.000 0.334 219 A C 0.134 177.840 177.584 0.204 0.000 1.147 219 A CA -0.646 51.493 52.037 0.171 0.000 0.820 219 A CB 0.855 19.908 19.000 0.089 0.000 1.218 219 A HN 0.673 nan 8.150 nan 0.000 0.482 220 I N 2.017 122.712 120.570 0.208 0.000 2.352 220 I HA 0.119 3.688 4.170 -1.001 0.000 0.290 220 I C -0.127 176.131 176.117 0.236 0.000 1.036 220 I CA -0.126 61.311 61.300 0.227 0.000 1.336 220 I CB 0.258 38.384 38.000 0.210 0.000 1.407 220 I HN 0.712 nan 8.210 nan 0.000 0.497 221 Y N 7.738 128.101 120.300 0.105 0.000 2.980 221 Y HA -0.175 3.773 4.550 -1.004 0.000 0.199 221 Y C -2.235 173.691 175.900 0.044 0.000 1.319 221 Y CA -0.991 57.154 58.100 0.075 0.000 0.877 221 Y CB -1.416 37.078 38.460 0.056 0.000 1.259 221 Y HN 0.397 nan 8.280 nan 0.000 0.437 222 P HA 0.184 nan 4.420 nan 0.000 0.276 222 P C -0.935 176.214 177.300 -0.251 0.000 1.261 222 P CA -0.316 62.701 63.100 -0.137 0.000 0.800 222 P CB 1.083 32.767 31.700 -0.028 0.000 1.066 223 Q N 0.265 119.940 119.800 -0.208 0.000 2.309 223 Q HA 0.521 4.261 4.340 -1.001 0.000 0.264 223 Q C -1.216 174.736 176.000 -0.080 0.000 1.008 223 Q CA -0.762 54.927 55.803 -0.190 0.000 0.853 223 Q CB 1.479 30.089 28.738 -0.214 0.000 1.314 223 Q HN 0.485 nan 8.270 nan 0.000 0.448 224 H N 0.941 119.914 119.070 -0.162 0.000 2.547 224 H HA 0.584 4.542 4.556 -0.996 0.000 0.342 224 H C -1.496 173.758 175.328 -0.123 0.000 1.048 224 H CA -0.287 55.682 56.048 -0.133 0.000 1.204 224 H CB 1.729 31.410 29.762 -0.135 0.000 1.493 224 H HN 0.864 nan 8.280 nan 0.000 0.511 225 A N 4.186 126.567 122.820 -0.732 0.000 2.347 225 A HA 0.657 4.377 4.320 -1.001 0.000 0.287 225 A C -0.385 176.881 177.584 -0.530 0.000 1.199 225 A CA 0.103 51.852 52.037 -0.479 0.000 0.851 225 A CB -0.467 18.343 19.000 -0.315 0.000 1.118 225 A HN 0.819 nan 8.150 nan 0.000 0.525 226 A N 4.997 127.686 122.820 -0.218 0.000 2.343 226 A HA 0.802 4.521 4.320 -1.001 0.000 0.316 226 A C -2.899 174.679 177.584 -0.010 0.000 1.104 226 A CA -1.968 50.047 52.037 -0.037 0.000 0.768 226 A CB 0.842 19.897 19.000 0.091 0.000 1.213 226 A HN 0.554 nan 8.150 nan 0.000 0.456 227 P HA 0.100 nan 4.420 nan 0.000 0.266 227 P C -0.376 176.938 177.300 0.023 0.000 1.195 227 P CA 0.175 63.286 63.100 0.019 0.000 0.768 227 P CB 0.341 32.065 31.700 0.040 0.000 0.838 228 R N 2.085 122.589 120.500 0.006 0.000 2.585 228 R HA 0.388 4.128 4.340 -1.001 0.000 0.275 228 R C 1.339 177.626 176.300 -0.020 0.000 1.018 228 R CA 1.458 57.550 56.100 -0.013 0.000 1.072 228 R CB -0.406 29.883 30.300 -0.019 0.000 0.953 228 R HN 0.850 nan 8.270 nan 0.000 0.419 229 G N 2.058 110.808 108.800 -0.084 0.000 2.253 229 G HA2 -0.162 3.198 3.960 -1.001 0.000 0.190 229 G HA3 -0.162 3.198 3.960 -1.001 0.000 0.190 229 G C -1.665 173.086 174.900 -0.249 0.000 1.274 229 G CA -0.833 44.192 45.100 -0.126 0.000 1.275 229 G HN 0.537 nan 8.290 nan 0.000 0.518 230 W N 0.159 121.476 121.300 0.028 0.000 2.551 230 W HA 0.751 4.809 4.660 -1.003 0.000 0.330 230 W C -0.183 176.367 176.519 0.051 0.000 1.063 230 W CA -0.646 56.719 57.345 0.033 0.000 1.222 230 W CB 1.820 31.283 29.460 0.006 0.000 1.349 230 W HN 0.498 nan 8.180 nan 0.000 0.536 231 L N 4.053 125.472 121.223 0.326 0.000 2.356 231 L HA 0.551 4.291 4.340 -1.001 0.000 0.277 231 L C -0.495 176.499 176.870 0.206 0.000 0.996 231 L CA -1.260 53.710 54.840 0.216 0.000 0.822 231 L CB 1.384 43.553 42.059 0.184 0.000 1.256 231 L HN 0.472 nan 8.230 nan 0.000 0.413 232 R N 5.534 126.109 120.500 0.126 0.000 2.255 232 R HA 0.661 4.400 4.340 -1.001 0.000 0.326 232 R C -1.691 174.615 176.300 0.009 0.000 0.986 232 R CA -0.550 55.600 56.100 0.083 0.000 0.847 232 R CB 0.697 31.040 30.300 0.072 0.000 1.111 232 R HN 0.780 nan 8.270 nan 0.000 0.452 233 L N 5.489 126.712 121.223 -0.000 0.000 2.313 233 L HA 0.524 4.264 4.340 -1.001 0.000 0.283 233 L C 0.030 176.866 176.870 -0.057 0.000 1.013 233 L CA -0.848 53.946 54.840 -0.076 0.000 0.816 233 L CB 1.936 43.934 42.059 -0.101 0.000 1.236 233 L HN 0.553 nan 8.230 nan 0.000 0.419 234 R N 4.559 125.012 120.500 -0.078 0.000 2.287 234 R HA 0.457 4.196 4.340 -1.001 0.000 0.327 234 R C -0.948 175.301 176.300 -0.084 0.000 1.109 234 R CA -0.456 55.625 56.100 -0.032 0.000 1.013 234 R CB 0.473 30.787 30.300 0.025 0.000 1.126 234 R HN 0.501 nan 8.270 nan 0.000 0.503 235 L N 4.189 125.358 121.223 -0.091 0.000 2.305 235 L HA 0.356 4.095 4.340 -1.001 0.000 0.281 235 L C -0.391 176.418 176.870 -0.101 0.000 1.085 235 L CA -0.745 53.999 54.840 -0.159 0.000 0.813 235 L CB 0.783 42.687 42.059 -0.258 0.000 1.157 235 L HN 0.326 nan 8.230 nan 0.000 0.436 236 L N 4.212 125.349 121.223 -0.144 0.000 2.376 236 L HA 0.434 4.173 4.340 -1.001 0.000 0.275 236 L C -0.388 176.370 176.870 -0.186 0.000 0.987 236 L CA -0.302 54.382 54.840 -0.259 0.000 0.828 236 L CB 1.484 43.283 42.059 -0.434 0.000 1.249 236 L HN 0.451 nan 8.230 nan 0.000 0.409 237 N N 3.394 122.000 118.700 -0.157 0.000 2.448 237 N HA 0.267 4.406 4.740 -1.001 0.000 0.250 237 N C 0.661 175.986 175.510 -0.309 0.000 1.136 237 N CA 0.417 53.397 53.050 -0.116 0.000 0.953 237 N CB 1.173 39.641 38.487 -0.032 0.000 1.251 237 N HN 0.851 nan 8.380 nan 0.000 0.502 238 G N 2.336 110.964 108.800 -0.288 0.000 3.448 238 G HA2 0.071 3.430 3.960 -1.001 0.000 0.261 238 G HA3 0.071 3.430 3.960 -1.001 0.000 0.261 238 G C 0.344 175.204 174.900 -0.067 0.000 1.173 238 G CA -0.233 44.677 45.100 -0.316 0.000 0.835 238 G HN 0.565 nan 8.290 nan 0.000 0.534 239 C N 0.436 119.713 119.300 -0.039 0.000 2.652 239 C HA 0.169 4.029 4.460 -1.001 0.000 0.412 239 C C 1.846 176.898 174.990 0.104 0.000 1.294 239 C CA -0.465 58.569 59.018 0.027 0.000 2.127 239 C CB 0.818 28.535 27.740 -0.039 0.000 2.691 239 C HN 0.495 nan 8.230 nan 0.000 0.615 240 N N 1.022 119.830 118.700 0.179 0.000 2.120 240 N HA -0.056 4.083 4.740 -1.001 0.000 0.188 240 N C 1.262 176.866 175.510 0.158 0.000 1.024 240 N CA 1.851 55.026 53.050 0.208 0.000 0.852 240 N CB -0.035 38.665 38.487 0.355 0.000 1.003 240 N HN 0.840 nan 8.380 nan 0.000 0.424 241 A N -1.259 121.628 122.820 0.111 0.000 2.480 241 A HA 0.203 3.923 4.320 -1.001 0.000 0.191 241 A C 0.617 178.175 177.584 -0.043 0.000 1.503 241 A CA -0.393 51.668 52.037 0.039 0.000 1.110 241 A CB 0.337 19.374 19.000 0.062 0.000 1.401 241 A HN 0.093 nan 8.150 nan 0.000 0.533 242 R N 1.966 122.416 120.500 -0.084 0.000 2.234 242 R HA 0.418 4.157 4.340 -1.001 0.000 0.324 242 R C 0.007 176.204 176.300 -0.172 0.000 1.054 242 R CA 0.541 56.522 56.100 -0.198 0.000 0.912 242 R CB 0.577 30.692 30.300 -0.308 0.000 1.030 242 R HN 0.416 nan 8.270 nan 0.000 0.455 243 S N 4.532 120.130 115.700 -0.169 0.000 2.592 243 S HA 0.385 4.254 4.470 -1.001 0.000 0.271 243 S C 0.082 174.551 174.600 -0.219 0.000 1.326 243 S CA -0.697 57.417 58.200 -0.143 0.000 1.024 243 S CB 1.042 64.185 63.200 -0.095 0.000 0.921 243 S HN 0.528 nan 8.310 nan 0.000 0.527 244 L N 1.233 122.313 121.223 -0.239 0.000 2.309 244 L HA 0.631 4.371 4.340 -1.001 0.000 0.261 244 L C -0.546 176.084 176.870 -0.400 0.000 1.021 244 L CA -0.917 53.679 54.840 -0.407 0.000 0.823 244 L CB 1.901 43.587 42.059 -0.621 0.000 1.366 244 L HN 0.750 nan 8.230 nan 0.000 0.423 245 N N 0.906 119.317 118.700 -0.482 0.000 2.653 245 N HA 0.327 4.466 4.740 -1.001 0.000 0.261 245 N C -1.477 173.869 175.510 -0.274 0.000 1.216 245 N CA -0.356 52.513 53.050 -0.300 0.000 0.784 245 N CB 0.547 38.945 38.487 -0.150 0.000 1.327 245 N HN 0.230 nan 8.380 nan 0.000 0.539 246 F N 1.779 121.716 119.950 -0.021 0.000 2.429 246 F HA 0.679 4.592 4.527 -1.024 0.000 0.348 246 F C 1.188 176.978 175.800 -0.016 0.000 1.109 246 F CA 0.013 58.009 58.000 -0.006 0.000 1.232 246 F CB 1.113 40.110 39.000 -0.006 0.000 1.157 246 F HN 0.464 nan 8.300 nan 0.000 0.564 247 A N 0.841 123.791 122.820 0.217 0.000 2.568 247 A HA 0.776 4.496 4.320 -1.001 0.000 0.291 247 A C -0.654 177.023 177.584 0.155 0.000 1.159 247 A CA -0.541 51.570 52.037 0.124 0.000 0.679 247 A CB 1.105 20.143 19.000 0.062 0.000 1.285 247 A HN 0.682 nan 8.150 nan 0.000 0.428 248 T N -1.745 112.882 114.554 0.121 0.000 2.925 248 T HA 0.515 4.265 4.350 -1.001 0.000 0.285 248 T C 1.109 175.889 174.700 0.134 0.000 1.021 248 T CA 0.278 62.488 62.100 0.183 0.000 1.042 248 T CB 1.339 70.294 68.868 0.145 0.000 1.037 248 T HN 1.589 nan 8.240 nan 0.000 0.481 249 S N 0.600 116.410 115.700 0.183 0.000 2.442 249 S HA -0.125 3.745 4.470 -1.001 0.000 0.236 249 S C 1.049 175.692 174.600 0.072 0.000 1.007 249 S CA 1.037 59.308 58.200 0.119 0.000 0.965 249 S CB -0.570 62.713 63.200 0.137 0.000 0.773 249 S HN 0.920 nan 8.310 nan 0.000 0.504 250 D N 0.646 121.078 120.400 0.054 0.000 2.462 250 D HA 0.117 4.157 4.640 -1.001 0.000 0.221 250 D C -0.082 176.195 176.300 -0.039 0.000 1.173 250 D CA -0.381 53.617 54.000 -0.002 0.000 0.831 250 D CB -1.086 39.701 40.800 -0.021 0.000 1.001 250 D HN 0.304 nan 8.370 nan 0.000 0.499 251 N N 1.081 119.765 118.700 -0.026 0.000 2.741 251 N HA -0.222 3.918 4.740 -1.001 0.000 0.251 251 N C -0.181 175.286 175.510 -0.073 0.000 1.112 251 N CA 0.771 53.797 53.050 -0.038 0.000 0.750 251 N CB -1.577 36.891 38.487 -0.031 0.000 1.119 251 N HN 0.655 nan 8.380 nan 0.000 0.561 252 R N 0.757 121.187 120.500 -0.117 0.000 2.590 252 R HA 0.359 4.098 4.340 -1.001 0.000 0.274 252 R C -2.383 173.848 176.300 -0.115 0.000 1.061 252 R CA -0.904 55.110 56.100 -0.144 0.000 1.081 252 R CB 0.169 30.311 30.300 -0.264 0.000 0.984 252 R HN -0.080 nan 8.270 nan 0.000 0.448 253 P HA 0.072 nan 4.420 nan 0.000 0.272 253 P C -0.675 176.509 177.300 -0.194 0.000 1.230 253 P CA -0.223 62.750 63.100 -0.212 0.000 0.788 253 P CB 0.711 32.190 31.700 -0.367 0.000 0.949 254 L N 1.917 123.000 121.223 -0.233 0.000 2.317 254 L HA 0.384 4.123 4.340 -1.001 0.000 0.281 254 L C -0.280 176.429 176.870 -0.268 0.000 1.024 254 L CA -0.864 53.907 54.840 -0.116 0.000 0.810 254 L CB 0.780 42.802 42.059 -0.061 0.000 1.240 254 L HN 0.327 nan 8.230 nan 0.000 0.427 255 Y N 2.005 122.344 120.300 0.064 0.000 2.417 255 Y HA 0.314 4.262 4.550 -1.003 0.000 0.336 255 Y C 0.100 176.008 175.900 0.013 0.000 0.961 255 Y CA -0.800 57.320 58.100 0.033 0.000 1.215 255 Y CB 1.353 39.837 38.460 0.040 0.000 1.120 255 Y HN 0.183 nan 8.280 nan 0.000 0.499 256 V N 5.935 125.898 119.914 0.081 0.000 2.470 256 V HA 0.007 3.526 4.120 -1.001 0.000 0.276 256 V C 1.106 177.282 176.094 0.138 0.000 1.040 256 V CA 0.216 62.572 62.300 0.094 0.000 1.008 256 V CB 0.265 32.114 31.823 0.042 0.000 0.990 256 V HN 0.870 nan 8.190 nan 0.000 0.477 257 I N 1.802 122.457 120.570 0.142 0.000 4.181 257 I HA 0.764 4.333 4.170 -1.001 0.000 0.331 257 I C 0.675 176.871 176.117 0.132 0.000 1.312 257 I CA 0.184 61.551 61.300 0.111 0.000 1.146 257 I CB 0.497 38.535 38.000 0.062 0.000 1.074 257 I HN 0.538 nan 8.210 nan 0.000 0.402 258 A N 0.802 123.731 122.820 0.181 0.000 2.604 258 A HA 0.771 4.490 4.320 -1.001 0.000 0.295 258 A C -0.346 177.361 177.584 0.205 0.000 1.067 258 A CA 0.029 52.167 52.037 0.167 0.000 0.683 258 A CB 1.184 20.255 19.000 0.118 0.000 1.281 258 A HN 0.317 nan 8.150 nan 0.000 0.407 259 S N -0.027 115.735 115.700 0.103 0.000 2.795 259 S HA 0.545 4.415 4.470 -1.001 0.000 0.308 259 S C 0.229 174.733 174.600 -0.161 0.000 1.098 259 S CA -0.007 58.108 58.200 -0.142 0.000 0.934 259 S CB 0.399 63.569 63.200 -0.050 0.000 1.300 259 S HN 0.538 nan 8.310 nan 0.000 0.566 260 D N 1.376 121.629 120.400 -0.245 0.000 2.157 260 D HA -0.073 3.967 4.640 -1.001 0.000 0.191 260 D C 1.639 177.935 176.300 -0.008 0.000 1.004 260 D CA 2.038 55.968 54.000 -0.116 0.000 0.854 260 D CB -0.875 39.875 40.800 -0.084 0.000 0.936 260 D HN 0.761 nan 8.370 nan 0.000 0.446 261 G N -1.116 107.708 108.800 0.039 0.000 3.233 261 G HA2 0.469 3.829 3.960 -1.001 0.000 0.234 261 G HA3 0.469 3.829 3.960 -1.001 0.000 0.234 261 G C 0.624 175.569 174.900 0.076 0.000 1.137 261 G CA 0.456 45.586 45.100 0.050 0.000 0.763 261 G HN 0.644 nan 8.290 nan 0.000 0.549 262 G N -0.489 108.387 108.800 0.126 0.000 2.325 262 G HA2 0.034 3.393 3.960 -1.001 0.000 0.285 262 G HA3 0.034 3.393 3.960 -1.001 0.000 0.285 262 G C -0.622 174.382 174.900 0.174 0.000 1.303 262 G CA -1.048 44.133 45.100 0.133 0.000 0.970 262 G HN 0.366 nan 8.290 nan 0.000 0.490 263 L N 0.759 122.076 121.223 0.157 0.000 2.506 263 L HA 0.279 4.018 4.340 -1.001 0.000 0.281 263 L C 1.128 178.086 176.870 0.148 0.000 1.228 263 L CA -0.175 54.746 54.840 0.135 0.000 0.850 263 L CB 0.093 42.214 42.059 0.104 0.000 1.110 263 L HN 0.425 nan 8.230 nan 0.000 0.496 264 L N 3.898 125.190 121.223 0.114 0.000 2.475 264 L HA 0.173 3.912 4.340 -1.001 0.000 0.253 264 L C -1.245 175.660 176.870 0.059 0.000 1.198 264 L CA -1.530 53.359 54.840 0.082 0.000 0.814 264 L CB 0.221 42.338 42.059 0.098 0.000 1.134 264 L HN 0.446 nan 8.230 nan 0.000 0.478 265 P HA -0.116 nan 4.420 nan 0.000 0.217 265 P C -0.509 176.806 177.300 0.025 0.000 1.150 265 P CA 1.239 64.353 63.100 0.024 0.000 0.832 265 P CB 0.153 31.855 31.700 0.004 0.000 0.787 266 E N -2.408 117.810 120.200 0.031 0.000 2.433 266 E HA 0.516 4.266 4.350 -1.001 0.000 0.278 266 E C -3.209 173.419 176.600 0.046 0.000 0.976 266 E CA -2.859 53.557 56.400 0.027 0.000 0.793 266 E CB 0.944 30.657 29.700 0.021 0.000 1.311 266 E HN -0.233 nan 8.360 nan 0.000 0.460 267 P HA 0.102 nan 4.420 nan 0.000 0.271 267 P C -0.850 176.516 177.300 0.110 0.000 1.218 267 P CA -0.398 62.753 63.100 0.084 0.000 0.780 267 P CB 0.668 32.413 31.700 0.075 0.000 0.901 268 V N 3.337 123.318 119.914 0.112 0.000 2.350 268 V HA 0.253 3.772 4.120 -1.001 0.000 0.285 268 V C 0.384 176.480 176.094 0.003 0.000 1.014 268 V CA -0.704 61.640 62.300 0.073 0.000 0.831 268 V CB 1.132 33.010 31.823 0.091 0.000 1.000 268 V HN 0.441 nan 8.190 nan 0.000 0.433 269 K N 4.349 124.734 120.400 -0.026 0.000 2.339 269 K HA 0.564 4.284 4.320 -1.001 0.000 0.286 269 K C -0.548 175.916 176.600 -0.227 0.000 1.050 269 K CA -0.222 55.921 56.287 -0.240 0.000 0.956 269 K CB 1.116 33.497 32.500 -0.198 0.000 0.990 269 K HN 0.656 nan 8.250 nan 0.000 0.475 270 V N 0.364 120.099 119.914 -0.298 0.000 2.962 270 V HA 0.371 3.891 4.120 -1.001 0.000 0.313 270 V C 0.151 176.116 176.094 -0.215 0.000 1.099 270 V CA -0.672 61.482 62.300 -0.244 0.000 0.971 270 V CB 1.981 33.611 31.823 -0.322 0.000 1.028 270 V HN 0.741 nan 8.190 nan 0.000 0.430 271 S N 1.334 116.944 115.700 -0.151 0.000 2.486 271 S HA 0.189 4.058 4.470 -1.001 0.000 0.220 271 S C 0.395 174.947 174.600 -0.080 0.000 1.011 271 S CA 0.739 58.874 58.200 -0.109 0.000 0.921 271 S CB -0.223 62.930 63.200 -0.078 0.000 0.785 271 S HN 0.983 nan 8.310 nan 0.000 0.517 272 E N 0.246 120.391 120.200 -0.093 0.000 2.383 272 E HA 0.576 4.326 4.350 -1.001 0.000 0.275 272 E C -1.644 174.886 176.600 -0.118 0.000 0.918 272 E CA -0.955 55.404 56.400 -0.067 0.000 0.764 272 E CB 1.533 31.206 29.700 -0.045 0.000 1.252 272 E HN 0.022 nan 8.360 nan 0.000 0.449 273 L N 2.201 123.378 121.223 -0.077 0.000 2.442 273 L HA 0.448 4.188 4.340 -1.001 0.000 0.261 273 L C -2.897 173.941 176.870 -0.053 0.000 1.000 273 L CA -1.811 52.944 54.840 -0.141 0.000 0.882 273 L CB 1.435 43.401 42.059 -0.155 0.000 1.207 273 L HN 0.370 nan 8.230 nan 0.000 0.443 274 P HA 0.200 nan 4.420 nan 0.000 0.268 274 P C -1.194 176.148 177.300 0.070 0.000 1.204 274 P CA 0.086 63.177 63.100 -0.014 0.000 0.768 274 P CB 0.947 32.659 31.700 0.020 0.000 0.842 275 V N 4.817 124.779 119.914 0.080 0.000 2.524 275 V HA 0.280 3.799 4.120 -1.001 0.000 0.297 275 V C 0.264 176.427 176.094 0.115 0.000 1.035 275 V CA -0.619 61.822 62.300 0.235 0.000 0.867 275 V CB 1.409 33.456 31.823 0.374 0.000 1.004 275 V HN 0.377 nan 8.190 nan 0.000 0.426 276 L N 3.555 124.868 121.223 0.149 0.000 2.468 276 L HA 0.493 4.233 4.340 -1.001 0.000 0.254 276 L C 0.277 177.174 176.870 0.045 0.000 1.171 276 L CA -0.754 54.139 54.840 0.090 0.000 0.809 276 L CB 0.614 42.752 42.059 0.132 0.000 1.155 276 L HN 0.495 nan 8.230 nan 0.000 0.473 277 M N 1.454 121.082 119.600 0.047 0.000 2.303 277 M HA 0.170 4.049 4.480 -1.001 0.000 0.350 277 M C 0.991 177.253 176.300 -0.064 0.000 1.518 277 M CA 1.177 56.498 55.300 0.034 0.000 1.070 277 M CB -0.114 32.572 32.600 0.144 0.000 1.910 277 M HN 0.821 nan 8.290 nan 0.000 0.458 278 G N 1.470 110.139 108.800 -0.218 0.000 2.217 278 G HA2 -0.202 3.158 3.960 -1.001 0.000 0.246 278 G HA3 -0.202 3.158 3.960 -1.001 0.000 0.246 278 G C 0.104 174.798 174.900 -0.343 0.000 0.990 278 G CA -0.180 44.686 45.100 -0.390 0.000 0.627 278 G HN 0.625 nan 8.290 nan 0.000 0.522 279 E N 0.298 120.376 120.200 -0.203 0.000 2.366 279 E HA 0.586 4.335 4.350 -1.001 0.000 0.266 279 E C 0.281 176.742 176.600 -0.232 0.000 1.051 279 E CA -0.226 56.078 56.400 -0.160 0.000 0.884 279 E CB 0.527 30.209 29.700 -0.030 0.000 1.006 279 E HN 0.268 nan 8.360 nan 0.000 0.417 280 R N 1.359 121.682 120.500 -0.294 0.000 2.670 280 R HA 0.521 4.260 4.340 -1.001 0.000 0.289 280 R C -1.282 174.779 176.300 -0.398 0.000 0.965 280 R CA -0.447 55.513 56.100 -0.234 0.000 0.899 280 R CB 1.007 31.210 30.300 -0.161 0.000 1.173 280 R HN 0.332 nan 8.270 nan 0.000 0.456 281 F N 0.091 120.052 119.950 0.019 0.000 2.565 281 F HA 0.412 4.359 4.527 -0.967 0.000 0.313 281 F C 0.035 175.841 175.800 0.010 0.000 1.091 281 F CA -0.771 57.257 58.000 0.045 0.000 0.915 281 F CB 2.305 41.352 39.000 0.079 0.000 1.208 281 F HN 0.297 nan 8.300 nan 0.000 0.453 282 E N 2.280 122.608 120.200 0.213 0.000 2.175 282 E HA 0.607 4.356 4.350 -1.001 0.000 0.278 282 E C -1.122 175.561 176.600 0.138 0.000 0.969 282 E CA -0.910 55.567 56.400 0.128 0.000 0.796 282 E CB 2.414 32.175 29.700 0.101 0.000 1.104 282 E HN 0.429 nan 8.360 nan 0.000 0.395 283 V N 0.464 120.435 119.914 0.094 0.000 2.914 283 V HA 0.586 4.105 4.120 -1.001 0.000 0.314 283 V C -1.008 175.167 176.094 0.135 0.000 1.084 283 V CA -1.112 61.251 62.300 0.106 0.000 0.963 283 V CB 1.481 33.344 31.823 0.066 0.000 1.025 283 V HN 0.411 nan 8.190 nan 0.000 0.432 284 L N 3.413 124.757 121.223 0.202 0.000 2.325 284 L HA 0.839 4.579 4.340 -1.001 0.000 0.278 284 L C -0.151 177.016 176.870 0.496 0.000 1.023 284 L CA -0.149 54.873 54.840 0.303 0.000 0.811 284 L CB 1.680 43.831 42.059 0.153 0.000 1.249 284 L HN 0.780 nan 8.230 nan 0.000 0.431 285 V N 2.939 123.149 119.914 0.493 0.000 2.841 285 V HA 0.459 3.978 4.120 -1.001 0.000 0.310 285 V C -0.542 175.665 176.094 0.188 0.000 1.090 285 V CA -0.565 61.962 62.300 0.378 0.000 0.930 285 V CB 2.253 34.241 31.823 0.274 0.000 1.014 285 V HN 0.814 nan 8.190 nan 0.000 0.425 286 E N 3.483 123.594 120.200 -0.147 0.000 2.338 286 E HA 0.424 4.173 4.350 -1.001 0.000 0.272 286 E C -1.144 175.306 176.600 -0.250 0.000 1.029 286 E CA -0.274 55.808 56.400 -0.531 0.000 0.872 286 E CB 1.838 31.144 29.700 -0.657 0.000 1.015 286 E HN 0.509 nan 8.360 nan 0.000 0.417 287 V N 4.018 123.816 119.914 -0.193 0.000 2.350 287 V HA 0.193 3.712 4.120 -1.001 0.000 0.285 287 V C -0.633 175.416 176.094 -0.075 0.000 1.014 287 V CA -0.846 61.453 62.300 -0.002 0.000 0.831 287 V CB 1.120 32.995 31.823 0.088 0.000 1.000 287 V HN 0.626 nan 8.190 nan 0.000 0.433 288 N N 2.926 121.591 118.700 -0.058 0.000 2.430 288 N HA 0.268 4.408 4.740 -1.001 0.000 0.292 288 N C 0.798 176.297 175.510 -0.018 0.000 1.051 288 N CA -0.707 52.303 53.050 -0.067 0.000 0.917 288 N CB 1.586 40.019 38.487 -0.091 0.000 1.164 288 N HN 0.632 nan 8.380 nan 0.000 0.484 289 D N 1.449 121.834 120.400 -0.024 0.000 2.170 289 D HA -0.287 3.752 4.640 -1.001 0.000 0.193 289 D C 1.357 177.657 176.300 0.000 0.000 1.004 289 D CA 1.714 55.708 54.000 -0.011 0.000 0.860 289 D CB 0.083 40.874 40.800 -0.015 0.000 0.931 289 D HN 0.556 nan 8.370 nan 0.000 0.448 290 N N 0.124 118.824 118.700 -0.001 0.000 2.047 290 N HA -0.104 4.035 4.740 -1.001 0.000 0.193 290 N C -0.358 175.167 175.510 0.025 0.000 1.055 290 N CA 1.276 54.329 53.050 0.005 0.000 0.847 290 N CB -0.088 38.398 38.487 -0.003 0.000 1.038 290 N HN 0.234 nan 8.380 nan 0.000 0.427 291 K N 1.148 121.573 120.400 0.042 0.000 2.253 291 K HA 0.419 4.138 4.320 -1.001 0.000 0.277 291 K C -2.553 174.146 176.600 0.164 0.000 1.053 291 K CA -1.892 54.440 56.287 0.075 0.000 0.892 291 K CB 1.483 34.013 32.500 0.051 0.000 1.102 291 K HN 0.141 nan 8.250 nan 0.000 0.469 292 P HA 0.160 nan 4.420 nan 0.000 0.274 292 P C -1.002 176.442 177.300 0.239 0.000 1.231 292 P CA -0.336 62.843 63.100 0.132 0.000 0.790 292 P CB 0.282 31.997 31.700 0.027 0.000 0.951 293 F N -1.284 118.679 119.950 0.021 0.000 2.662 293 F HA 0.650 4.575 4.527 -1.003 0.000 0.312 293 F C -1.152 174.688 175.800 0.066 0.000 1.113 293 F CA -1.304 56.718 58.000 0.036 0.000 0.951 293 F CB 0.824 39.838 39.000 0.022 0.000 1.344 293 F HN 0.002 nan 8.300 nan 0.000 0.462 294 D N 1.773 122.263 120.400 0.150 0.000 2.181 294 D HA 0.387 4.427 4.640 -1.001 0.000 0.248 294 D C -0.895 175.510 176.300 0.175 0.000 1.020 294 D CA -0.251 53.806 54.000 0.094 0.000 0.891 294 D CB 2.370 43.269 40.800 0.165 0.000 1.187 294 D HN 0.655 nan 8.370 nan 0.000 0.443 295 L N 2.606 123.893 121.223 0.106 0.000 2.367 295 L HA 0.312 4.051 4.340 -1.001 0.000 0.275 295 L C -0.424 176.575 176.870 0.215 0.000 1.129 295 L CA -0.119 54.828 54.840 0.178 0.000 0.839 295 L CB 0.765 42.887 42.059 0.105 0.000 1.133 295 L HN 0.246 nan 8.230 nan 0.000 0.453 296 V N 1.551 121.605 119.914 0.235 0.000 3.074 296 V HA 0.775 4.295 4.120 -1.001 0.000 0.314 296 V C -0.394 175.834 176.094 0.222 0.000 1.117 296 V CA -0.459 61.964 62.300 0.204 0.000 1.014 296 V CB 1.816 33.715 31.823 0.127 0.000 1.057 296 V HN 0.837 nan 8.190 nan 0.000 0.438 297 T N 2.527 117.169 114.554 0.146 0.000 2.824 297 T HA 0.669 4.418 4.350 -1.001 0.000 0.282 297 T C -0.661 174.057 174.700 0.029 0.000 0.993 297 T CA -0.509 61.587 62.100 -0.007 0.000 0.967 297 T CB 0.672 69.454 68.868 -0.143 0.000 0.960 297 T HN 0.743 nan 8.240 nan 0.000 0.441 298 L N 5.824 127.032 121.223 -0.026 0.000 2.379 298 L HA 0.472 4.211 4.340 -1.001 0.000 0.269 298 L C -1.990 174.872 176.870 -0.012 0.000 1.084 298 L CA -2.452 52.386 54.840 -0.005 0.000 0.802 298 L CB 0.840 42.888 42.059 -0.018 0.000 1.175 298 L HN 0.474 nan 8.230 nan 0.000 0.448 299 P HA 0.006 nan 4.420 nan 0.000 0.265 299 P C -0.781 176.496 177.300 -0.038 0.000 1.187 299 P CA -0.087 63.015 63.100 0.003 0.000 0.766 299 P CB 0.611 32.316 31.700 0.009 0.000 0.820 300 V N -0.297 119.578 119.914 -0.065 0.000 2.919 300 V HA 0.601 4.121 4.120 -1.001 0.000 0.316 300 V C 0.071 176.117 176.094 -0.079 0.000 1.077 300 V CA -0.763 61.487 62.300 -0.083 0.000 0.977 300 V CB 2.072 33.823 31.823 -0.121 0.000 1.039 300 V HN 0.404 nan 8.190 nan 0.000 0.441 301 S N 2.593 118.252 115.700 -0.068 0.000 3.170 301 S HA 0.427 4.296 4.470 -1.001 0.000 0.257 301 S C -0.383 174.172 174.600 -0.074 0.000 1.284 301 S CA -0.296 57.868 58.200 -0.061 0.000 0.973 301 S CB -0.919 62.257 63.200 -0.040 0.000 1.330 301 S HN 0.940 nan 8.310 nan 0.000 0.493 302 Q N 3.740 123.477 119.800 -0.104 0.000 2.295 302 Q HA 0.293 4.032 4.340 -1.001 0.000 0.268 302 Q C -0.978 174.926 176.000 -0.161 0.000 1.010 302 Q CA -0.760 54.968 55.803 -0.125 0.000 0.856 302 Q CB 1.490 30.140 28.738 -0.147 0.000 1.349 302 Q HN 0.674 nan 8.270 nan 0.000 0.412 303 M N 3.508 123.029 119.600 -0.131 0.000 2.409 303 M HA 0.143 4.022 4.480 -1.001 0.000 0.376 303 M C 0.983 177.127 176.300 -0.260 0.000 1.631 303 M CA 2.584 57.805 55.300 -0.132 0.000 0.987 303 M CB -0.321 32.242 32.600 -0.062 0.000 2.090 303 M HN 0.919 nan 8.290 nan 0.000 0.474 304 G N 4.096 112.708 108.800 -0.314 0.000 2.284 304 G HA2 -0.240 3.120 3.960 -1.001 0.000 0.230 304 G HA3 -0.240 3.120 3.960 -1.001 0.000 0.230 304 G C 0.602 174.980 174.900 -0.869 0.000 1.021 304 G CA 0.353 45.059 45.100 -0.656 0.000 0.619 304 G HN 0.602 nan 8.290 nan 0.000 0.510 305 M N 0.789 120.029 119.600 -0.600 0.000 2.541 305 M HA 0.490 4.369 4.480 -1.001 0.000 0.252 305 M C 2.392 178.541 176.300 -0.252 0.000 1.125 305 M CA 1.116 56.102 55.300 -0.524 0.000 1.091 305 M CB -0.428 31.914 32.600 -0.430 0.000 1.420 305 M HN 0.719 nan 8.290 nan 0.000 0.486 306 A N 0.197 122.921 122.820 -0.161 0.000 2.308 306 A HA 0.308 4.027 4.320 -1.001 0.000 0.217 306 A C 0.980 178.571 177.584 0.010 0.000 1.216 306 A CA -0.290 51.722 52.037 -0.042 0.000 0.864 306 A CB -0.311 18.660 19.000 -0.048 0.000 0.902 306 A HN 0.332 nan 8.150 nan 0.000 0.499 307 I N 1.206 121.778 120.570 0.003 0.000 2.634 307 I HA 0.211 3.780 4.170 -1.001 0.000 0.284 307 I C 1.169 177.363 176.117 0.128 0.000 1.124 307 I CA -0.415 60.924 61.300 0.064 0.000 1.417 307 I CB 1.049 39.109 38.000 0.099 0.000 1.396 307 I HN 0.300 nan 8.210 nan 0.000 0.571 308 A N 8.778 131.645 122.820 0.077 0.000 2.587 308 A HA 0.093 3.812 4.320 -1.001 0.000 0.233 308 A C -1.449 176.172 177.584 0.060 0.000 1.049 308 A CA -0.578 51.483 52.037 0.040 0.000 0.754 308 A CB -0.452 18.552 19.000 0.007 0.000 0.977 308 A HN 0.669 nan 8.150 nan 0.000 0.509 309 P HA 0.134 nan 4.420 nan 0.000 0.257 309 P C -0.037 177.097 177.300 -0.276 0.000 1.325 309 P CA 0.458 63.435 63.100 -0.205 0.000 0.850 309 P CB -0.033 31.501 31.700 -0.276 0.000 1.324 310 F N 1.274 121.263 119.950 0.066 0.000 2.664 310 F HA 0.058 3.988 4.527 -0.995 0.000 0.301 310 F C 1.718 177.511 175.800 -0.011 0.000 1.126 310 F CA -0.021 57.995 58.000 0.026 0.000 1.373 310 F CB -0.324 38.639 39.000 -0.062 0.000 1.042 310 F HN -0.046 nan 8.300 nan 0.000 0.535 311 D N -0.220 120.230 120.400 0.083 0.000 2.347 311 D HA -0.063 3.976 4.640 -1.001 0.000 0.215 311 D C 0.414 176.723 176.300 0.015 0.000 0.976 311 D CA 0.626 54.648 54.000 0.036 0.000 0.884 311 D CB 0.184 40.991 40.800 0.012 0.000 0.915 311 D HN 0.246 nan 8.370 nan 0.000 0.526 312 K N 0.013 120.418 120.400 0.007 0.000 2.433 312 K HA 0.469 4.188 4.320 -1.001 0.000 0.252 312 K C -2.872 173.734 176.600 0.011 0.000 1.015 312 K CA -2.282 53.999 56.287 -0.009 0.000 0.860 312 K CB 1.783 34.256 32.500 -0.045 0.000 1.359 312 K HN -0.242 nan 8.250 nan 0.000 0.452 313 P HA -0.108 nan 4.420 nan 0.000 0.262 313 P C -1.099 176.207 177.300 0.009 0.000 1.182 313 P CA 0.562 63.676 63.100 0.023 0.000 0.761 313 P CB 0.264 31.968 31.700 0.007 0.000 0.795 314 H N 4.449 123.497 119.070 -0.037 0.000 2.646 314 H HA 0.362 4.320 4.556 -0.997 0.000 0.328 314 H C -2.585 172.711 175.328 -0.054 0.000 0.998 314 H CA -2.545 53.448 56.048 -0.092 0.000 1.225 314 H CB 1.200 30.905 29.762 -0.095 0.000 1.457 314 H HN 0.173 nan 8.280 nan 0.000 0.505 315 P HA -0.062 nan 4.420 nan 0.000 0.265 315 P C 0.522 177.957 177.300 0.225 0.000 1.193 315 P CA 0.152 63.227 63.100 -0.042 0.000 0.765 315 P CB 1.338 32.689 31.700 -0.582 0.000 0.823 316 V N 2.906 122.986 119.914 0.276 0.000 2.806 316 V HA 0.221 3.741 4.120 -1.001 0.000 0.239 316 V C 0.817 177.103 176.094 0.321 0.000 1.113 316 V CA 1.241 63.724 62.300 0.306 0.000 1.137 316 V CB -0.370 31.637 31.823 0.305 0.000 0.865 316 V HN 0.597 nan 8.190 nan 0.000 0.482 317 M N -0.857 118.914 119.600 0.285 0.000 2.562 317 M HA 0.560 4.439 4.480 -1.001 0.000 0.281 317 M C -1.028 175.332 176.300 0.101 0.000 1.195 317 M CA -0.713 54.695 55.300 0.179 0.000 0.888 317 M CB 2.455 35.079 32.600 0.040 0.000 1.731 317 M HN -0.070 nan 8.290 nan 0.000 0.493 318 R N 1.529 121.977 120.500 -0.087 0.000 2.368 318 R HA 0.733 4.473 4.340 -1.001 0.000 0.302 318 R C -1.729 174.432 176.300 -0.231 0.000 1.002 318 R CA -0.472 55.537 56.100 -0.151 0.000 0.929 318 R CB 1.044 31.209 30.300 -0.225 0.000 1.073 318 R HN 0.754 nan 8.270 nan 0.000 0.464 319 I N 3.518 123.845 120.570 -0.405 0.000 2.339 319 I HA 0.165 3.735 4.170 -1.001 0.000 0.290 319 I C -0.446 175.488 176.117 -0.305 0.000 0.994 319 I CA -0.286 60.755 61.300 -0.432 0.000 1.191 319 I CB 1.693 39.186 38.000 -0.844 0.000 1.343 319 I HN 0.472 nan 8.210 nan 0.000 0.458 320 Q N 9.084 128.775 119.800 -0.182 0.000 2.372 320 Q HA 0.503 4.242 4.340 -1.001 0.000 0.259 320 Q C -2.601 173.350 176.000 -0.081 0.000 0.993 320 Q CA -2.270 53.463 55.803 -0.117 0.000 0.854 320 Q CB 1.437 30.099 28.738 -0.126 0.000 1.231 320 Q HN 0.217 nan 8.270 nan 0.000 0.462 321 P HA 0.078 nan 4.420 nan 0.000 0.264 321 P C -0.709 176.572 177.300 -0.031 0.000 1.193 321 P CA 0.349 63.446 63.100 -0.005 0.000 0.763 321 P CB 0.289 32.005 31.700 0.026 0.000 0.810 322 I N -1.076 119.473 120.570 -0.036 0.000 3.145 322 I HA 0.845 4.415 4.170 -1.001 0.000 0.313 322 I C -0.584 175.520 176.117 -0.022 0.000 1.122 322 I CA -1.671 59.606 61.300 -0.038 0.000 0.987 322 I CB 2.486 40.450 38.000 -0.060 0.000 1.236 322 I HN 0.147 nan 8.210 nan 0.000 0.453 323 A N 4.058 126.867 122.820 -0.020 0.000 3.257 323 A HA 0.669 4.388 4.320 -1.001 0.000 0.308 323 A C -0.078 177.502 177.584 -0.007 0.000 1.175 323 A CA -0.479 51.552 52.037 -0.011 0.000 1.018 323 A CB -0.749 18.245 19.000 -0.010 0.000 1.088 323 A HN 0.670 nan 8.150 nan 0.000 0.567 324 I N -3.423 117.143 120.570 -0.005 0.000 3.023 324 I HA 0.634 4.203 4.170 -1.001 0.000 0.312 324 I C -0.038 176.087 176.117 0.013 0.000 1.056 324 I CA -0.939 60.362 61.300 0.002 0.000 1.033 324 I CB 1.818 39.817 38.000 -0.002 0.000 1.233 324 I HN -0.013 nan 8.210 nan 0.000 0.462 325 S N 2.438 118.150 115.700 0.019 0.000 2.546 325 S HA 0.369 4.238 4.470 -1.001 0.000 0.290 325 S C 0.330 174.954 174.600 0.040 0.000 1.290 325 S CA -0.337 57.881 58.200 0.029 0.000 1.069 325 S CB 0.450 63.668 63.200 0.030 0.000 0.846 325 S HN 0.798 nan 8.310 nan 0.000 0.495 326 A N 2.678 125.527 122.820 0.048 0.000 2.240 326 A HA 0.690 4.409 4.320 -1.001 0.000 0.292 326 A C 1.075 178.702 177.584 0.071 0.000 1.121 326 A CA -0.049 52.029 52.037 0.069 0.000 0.851 326 A CB 0.410 19.460 19.000 0.083 0.000 1.167 326 A HN 1.035 nan 8.150 nan 0.000 0.503 327 S N -2.322 113.429 115.700 0.086 0.000 2.684 327 S HA 0.518 4.387 4.470 -1.001 0.000 0.268 327 S C 0.510 175.152 174.600 0.071 0.000 1.075 327 S CA 0.571 58.816 58.200 0.074 0.000 1.184 327 S CB -0.122 63.122 63.200 0.073 0.000 1.129 327 S HN 1.968 nan 8.310 nan 0.000 0.630 328 G N 0.132 108.987 108.800 0.092 0.000 2.645 328 G HA2 0.801 4.161 3.960 -1.001 0.000 0.292 328 G HA3 0.801 4.161 3.960 -1.001 0.000 0.292 328 G C -1.367 173.579 174.900 0.076 0.000 1.415 328 G CA -0.208 44.929 45.100 0.062 0.000 0.785 328 G HN 0.957 nan 8.290 nan 0.000 0.483 329 A N -1.264 121.516 122.820 -0.068 0.000 2.568 329 A HA 0.757 4.477 4.320 -1.001 0.000 0.291 329 A C -1.805 175.431 177.584 -0.580 0.000 1.159 329 A CA -0.658 51.193 52.037 -0.310 0.000 0.679 329 A CB 1.352 20.273 19.000 -0.132 0.000 1.285 329 A HN 1.667 nan 8.150 nan 0.000 0.428 330 L N 1.890 122.481 121.223 -1.054 0.000 2.283 330 L HA 0.544 4.284 4.340 -1.001 0.000 0.287 330 L C -2.223 174.373 176.870 -0.457 0.000 1.073 330 L CA -1.382 52.935 54.840 -0.872 0.000 0.822 330 L CB 0.241 41.468 42.059 -1.387 0.000 1.186 330 L HN 0.428 nan 8.230 nan 0.000 0.436 331 P HA 0.223 nan 4.420 nan 0.000 0.275 331 P C -0.187 177.030 177.300 -0.138 0.000 1.228 331 P CA -0.316 62.684 63.100 -0.167 0.000 0.786 331 P CB 0.741 32.376 31.700 -0.108 0.000 0.927 332 D N -0.179 120.164 120.400 -0.095 0.000 2.178 332 D HA -0.040 3.999 4.640 -1.001 0.000 0.202 332 D C 0.190 176.467 176.300 -0.038 0.000 0.974 332 D CA 1.521 55.483 54.000 -0.062 0.000 0.841 332 D CB 0.060 40.836 40.800 -0.040 0.000 0.953 332 D HN 0.351 nan 8.370 nan 0.000 0.478 333 T N -0.208 114.326 114.554 -0.033 0.000 2.876 333 T HA 0.477 4.226 4.350 -1.001 0.000 0.289 333 T C 1.127 175.818 174.700 -0.014 0.000 1.014 333 T CA -0.588 61.504 62.100 -0.015 0.000 0.986 333 T CB 2.380 71.244 68.868 -0.007 0.000 1.021 333 T HN -0.193 nan 8.240 nan 0.000 0.458 334 L N 1.238 122.462 121.223 0.002 0.000 2.515 334 L HA 0.376 4.116 4.340 -1.001 0.000 0.202 334 L C 0.993 177.879 176.870 0.027 0.000 1.056 334 L CA -0.039 54.807 54.840 0.010 0.000 0.847 334 L CB 0.280 42.352 42.059 0.022 0.000 1.131 334 L HN 0.777 nan 8.230 nan 0.000 0.484 335 S N -2.357 113.365 115.700 0.036 0.000 2.661 335 S HA 0.410 4.279 4.470 -1.001 0.000 0.268 335 S C -0.915 173.714 174.600 0.049 0.000 1.162 335 S CA -0.689 57.542 58.200 0.053 0.000 0.817 335 S CB 1.838 65.088 63.200 0.083 0.000 1.141 335 S HN -0.109 nan 8.310 nan 0.000 0.477 336 S N 0.419 116.156 115.700 0.063 0.000 2.530 336 S HA 0.661 4.530 4.470 -1.001 0.000 0.322 336 S C -1.150 173.494 174.600 0.074 0.000 1.085 336 S CA -0.570 57.661 58.200 0.053 0.000 1.096 336 S CB 0.222 63.451 63.200 0.049 0.000 0.988 336 S HN 0.662 nan 8.310 nan 0.000 0.466 337 L N 7.127 128.365 121.223 0.026 0.000 2.312 337 L HA 0.619 4.359 4.340 -1.001 0.000 0.281 337 L C -1.840 175.018 176.870 -0.020 0.000 1.070 337 L CA -1.529 53.297 54.840 -0.024 0.000 0.805 337 L CB 0.588 42.558 42.059 -0.148 0.000 1.174 337 L HN 0.506 nan 8.230 nan 0.000 0.434 338 P HA 0.252 nan 4.420 nan 0.000 0.272 338 P C -1.077 176.190 177.300 -0.055 0.000 1.223 338 P CA -0.572 62.542 63.100 0.023 0.000 0.784 338 P CB 0.549 32.321 31.700 0.120 0.000 0.923 339 A N 2.789 125.586 122.820 -0.038 0.000 2.498 339 A HA 0.189 3.909 4.320 -1.001 0.000 0.239 339 A C 0.564 178.090 177.584 -0.098 0.000 1.068 339 A CA -0.379 51.621 52.037 -0.063 0.000 0.766 339 A CB -0.534 18.440 19.000 -0.043 0.000 1.003 339 A HN 0.576 nan 8.150 nan 0.000 0.497 340 L N 3.893 125.045 121.223 -0.119 0.000 2.455 340 L HA 0.215 3.954 4.340 -1.001 0.000 0.272 340 L C -1.366 175.409 176.870 -0.159 0.000 1.174 340 L CA -1.202 53.544 54.840 -0.155 0.000 0.869 340 L CB 0.032 42.013 42.059 -0.131 0.000 1.130 340 L HN 0.628 nan 8.230 nan 0.000 0.474 341 P HA 0.162 nan 4.420 nan 0.000 0.276 341 P C -0.618 176.591 177.300 -0.151 0.000 1.252 341 P CA -0.584 62.386 63.100 -0.217 0.000 0.802 341 P CB 0.847 32.309 31.700 -0.397 0.000 1.035 342 S N 0.557 116.202 115.700 -0.092 0.000 2.560 342 S HA 0.059 3.929 4.470 -1.001 0.000 0.284 342 S C 1.526 176.094 174.600 -0.055 0.000 1.327 342 S CA -0.390 57.776 58.200 -0.058 0.000 1.055 342 S CB -0.048 63.134 63.200 -0.031 0.000 0.868 342 S HN 0.346 nan 8.310 nan 0.000 0.506 343 L N 0.668 121.868 121.223 -0.039 0.000 2.558 343 L HA 0.162 3.901 4.340 -1.001 0.000 0.225 343 L C 0.935 177.804 176.870 -0.003 0.000 1.128 343 L CA 0.262 55.087 54.840 -0.024 0.000 0.868 343 L CB -0.254 41.792 42.059 -0.022 0.000 1.006 343 L HN 0.565 nan 8.230 nan 0.000 0.454 344 E N 0.801 121.000 120.200 -0.002 0.000 2.366 344 E HA 0.234 3.984 4.350 -1.001 0.000 0.266 344 E C 1.094 177.705 176.600 0.018 0.000 1.015 344 E CA 0.926 57.330 56.400 0.006 0.000 0.906 344 E CB 0.478 30.181 29.700 0.004 0.000 0.979 344 E HN 0.292 nan 8.360 nan 0.000 0.443 345 G N 3.779 112.591 108.800 0.020 0.000 2.179 345 G HA2 -0.269 3.090 3.960 -1.001 0.000 0.260 345 G HA3 -0.269 3.090 3.960 -1.001 0.000 0.260 345 G C 0.112 175.038 174.900 0.043 0.000 0.977 345 G CA 0.262 45.380 45.100 0.029 0.000 0.641 345 G HN 0.454 nan 8.290 nan 0.000 0.533 346 L N 1.515 122.767 121.223 0.048 0.000 2.397 346 L HA 0.349 4.088 4.340 -1.001 0.000 0.271 346 L C 1.096 178.000 176.870 0.057 0.000 1.148 346 L CA -0.361 54.522 54.840 0.072 0.000 0.825 346 L CB 0.701 42.809 42.059 0.082 0.000 1.117 346 L HN 0.087 nan 8.230 nan 0.000 0.456 347 T N 2.354 116.951 114.554 0.071 0.000 2.928 347 T HA 0.188 3.937 4.350 -1.001 0.000 0.305 347 T C 0.085 174.805 174.700 0.034 0.000 1.035 347 T CA -0.284 61.840 62.100 0.041 0.000 1.145 347 T CB 0.798 69.698 68.868 0.053 0.000 0.963 347 T HN 0.248 nan 8.240 nan 0.000 0.545 348 V N 5.671 125.569 119.914 -0.026 0.000 2.417 348 V HA 0.460 3.979 4.120 -1.001 0.000 0.291 348 V C 0.290 176.274 176.094 -0.182 0.000 1.024 348 V CA -0.828 61.439 62.300 -0.056 0.000 0.861 348 V CB 1.406 33.201 31.823 -0.047 0.000 0.985 348 V HN 0.734 nan 8.190 nan 0.000 0.436 349 R N 3.604 123.924 120.500 -0.300 0.000 2.494 349 R HA 0.567 4.306 4.340 -1.001 0.000 0.305 349 R C -0.768 175.284 176.300 -0.412 0.000 0.959 349 R CA -0.870 54.888 56.100 -0.571 0.000 0.864 349 R CB 2.277 31.818 30.300 -1.265 0.000 1.159 349 R HN 0.486 nan 8.270 nan 0.000 0.446 350 K N 3.199 123.400 120.400 -0.331 0.000 2.235 350 K HA 0.373 4.092 4.320 -1.001 0.000 0.266 350 K C -1.095 175.382 176.600 -0.206 0.000 0.980 350 K CA -0.875 55.283 56.287 -0.215 0.000 0.849 350 K CB 1.414 33.827 32.500 -0.146 0.000 1.098 350 K HN 0.240 nan 8.250 nan 0.000 0.445 351 L N 3.402 124.513 121.223 -0.186 0.000 2.345 351 L HA 0.251 3.990 4.340 -1.001 0.000 0.274 351 L C -0.385 176.390 176.870 -0.159 0.000 0.999 351 L CA -0.546 54.198 54.840 -0.161 0.000 0.849 351 L CB 1.490 43.422 42.059 -0.212 0.000 1.220 351 L HN 0.423 nan 8.230 nan 0.000 0.422 352 Q N 3.405 123.145 119.800 -0.101 0.000 2.340 352 Q HA 0.572 4.311 4.340 -1.001 0.000 0.259 352 Q C -1.249 174.702 176.000 -0.082 0.000 0.964 352 Q CA -0.071 55.679 55.803 -0.088 0.000 0.900 352 Q CB 0.986 29.689 28.738 -0.057 0.000 1.228 352 Q HN 0.558 nan 8.270 nan 0.000 0.449 353 L N 2.914 124.067 121.223 -0.117 0.000 2.350 353 L HA 0.636 4.375 4.340 -1.001 0.000 0.275 353 L C 0.060 176.861 176.870 -0.114 0.000 1.099 353 L CA -0.557 54.199 54.840 -0.140 0.000 0.808 353 L CB 1.109 43.000 42.059 -0.281 0.000 1.149 353 L HN 0.837 nan 8.230 nan 0.000 0.442 354 S N 2.742 118.387 115.700 -0.093 0.000 2.579 354 S HA 0.770 4.639 4.470 -1.001 0.000 0.272 354 S C -0.908 173.659 174.600 -0.054 0.000 1.141 354 S CA -1.011 57.157 58.200 -0.055 0.000 0.843 354 S CB 2.118 65.303 63.200 -0.025 0.000 1.122 354 S HN 0.554 nan 8.310 nan 0.000 0.468 355 M N 2.323 121.906 119.600 -0.029 0.000 2.035 355 M HA 0.347 4.226 4.480 -1.001 0.000 0.286 355 M C -1.777 174.521 176.300 -0.003 0.000 0.907 355 M CA -0.319 54.964 55.300 -0.029 0.000 0.935 355 M CB 1.555 34.135 32.600 -0.033 0.000 1.557 355 M HN 0.826 nan 8.290 nan 0.000 0.426 356 D N 3.011 123.413 120.400 0.002 0.000 2.427 356 D HA 0.564 4.604 4.640 -1.001 0.000 0.226 356 D C 0.705 177.013 176.300 0.014 0.000 1.076 356 D CA 0.752 54.758 54.000 0.009 0.000 0.849 356 D CB 0.949 41.755 40.800 0.010 0.000 1.052 356 D HN 0.818 nan 8.370 nan 0.000 0.515 407 A N 1.273 124.110 122.820 0.027 0.000 2.279 407 A HA 0.673 4.392 4.320 -1.001 0.000 0.306 407 A C -0.330 177.267 177.584 0.022 0.000 1.300 407 A CA -0.413 51.643 52.037 0.031 0.000 0.925 407 A CB 0.203 19.220 19.000 0.028 0.000 1.152 407 A HN 0.155 nan 8.150 nan 0.000 0.544 408 N N 2.307 121.025 118.700 0.030 0.000 2.456 408 N HA 0.529 4.669 4.740 -1.001 0.000 0.288 408 N C -0.470 175.068 175.510 0.047 0.000 1.059 408 N CA -0.134 52.922 53.050 0.009 0.000 0.946 408 N CB 1.620 40.104 38.487 -0.004 0.000 1.150 408 N HN 0.733 nan 8.380 nan 0.000 0.479 409 K N 0.491 120.910 120.400 0.032 0.000 2.548 409 K HA 0.617 4.336 4.320 -1.001 0.000 0.282 409 K C -1.062 175.571 176.600 0.054 0.000 1.006 409 K CA -0.754 55.569 56.287 0.060 0.000 0.892 409 K CB 1.710 34.237 32.500 0.045 0.000 1.499 409 K HN 0.275 nan 8.250 nan 0.000 0.433 410 I N 1.403 122.022 120.570 0.081 0.000 2.498 410 I HA 0.235 3.804 4.170 -1.001 0.000 0.290 410 I C -0.587 175.559 176.117 0.049 0.000 1.032 410 I CA -1.054 60.288 61.300 0.069 0.000 1.073 410 I CB 1.696 39.780 38.000 0.140 0.000 1.251 410 I HN 0.658 nan 8.210 nan 0.000 0.426 411 N N 4.465 123.174 118.700 0.015 0.000 2.716 411 N HA -0.201 3.938 4.740 -1.001 0.000 0.250 411 N C 0.895 176.413 175.510 0.012 0.000 1.033 411 N CA 1.449 54.503 53.050 0.007 0.000 0.727 411 N CB -0.962 37.535 38.487 0.015 0.000 0.950 411 N HN 1.187 nan 8.380 nan 0.000 0.541 412 G N -1.015 107.792 108.800 0.011 0.000 2.153 412 G HA2 -0.344 3.016 3.960 -1.001 0.000 0.252 412 G HA3 -0.344 3.016 3.960 -1.001 0.000 0.252 412 G C -0.200 174.712 174.900 0.020 0.000 0.994 412 G CA 0.685 45.792 45.100 0.012 0.000 0.698 412 G HN 0.683 nan 8.290 nan 0.000 0.521 413 Q N -0.399 119.421 119.800 0.034 0.000 2.274 413 Q HA 0.681 4.420 4.340 -1.001 0.000 0.268 413 Q C 0.192 176.236 176.000 0.072 0.000 1.015 413 Q CA -0.176 55.652 55.803 0.041 0.000 0.775 413 Q CB 1.551 30.309 28.738 0.034 0.000 1.256 413 Q HN 0.933 nan 8.270 nan 0.000 0.442 414 A N 2.867 125.730 122.820 0.072 0.000 2.425 414 A HA 0.231 3.951 4.320 -1.001 0.000 0.242 414 A C -0.392 177.283 177.584 0.152 0.000 1.077 414 A CA -0.267 51.841 52.037 0.119 0.000 0.781 414 A CB 0.070 19.130 19.000 0.100 0.000 1.020 414 A HN 0.760 nan 8.150 nan 0.000 0.494 415 F N 1.878 121.866 119.950 0.064 0.000 2.604 415 F HA 0.169 4.102 4.527 -0.991 0.000 0.393 415 F C 0.134 175.955 175.800 0.034 0.000 1.043 415 F CA 0.422 58.452 58.000 0.050 0.000 1.227 415 F CB 0.280 39.323 39.000 0.072 0.000 1.016 415 F HN 0.545 nan 8.300 nan 0.000 0.556 416 D N 6.976 126.969 120.400 -0.678 0.000 2.471 416 D HA 0.112 4.152 4.640 -1.001 0.000 0.245 416 D C 0.598 176.316 176.300 -0.971 0.000 1.116 416 D CA -0.419 53.187 54.000 -0.657 0.000 0.853 416 D CB 1.279 41.901 40.800 -0.297 0.000 1.123 416 D HN 0.821 nan 8.370 nan 0.000 0.540 417 M N 3.036 121.995 119.600 -1.069 0.000 2.476 417 M HA -0.024 3.856 4.480 -1.001 0.000 0.262 417 M C 0.213 176.280 176.300 -0.387 0.000 1.079 417 M CA 0.843 55.653 55.300 -0.817 0.000 1.104 417 M CB 0.281 32.500 32.600 -0.634 0.000 1.409 417 M HN 0.164 nan 8.290 nan 0.000 0.467 418 N N 0.225 118.734 118.700 -0.318 0.000 2.235 418 N HA 0.083 4.223 4.740 -1.001 0.000 0.209 418 N C -0.394 175.010 175.510 -0.178 0.000 1.122 418 N CA 0.284 53.212 53.050 -0.204 0.000 0.845 418 N CB 0.545 38.937 38.487 -0.158 0.000 1.004 418 N HN 0.058 nan 8.380 nan 0.000 0.499 419 K N 1.506 121.784 120.400 -0.203 0.000 2.814 419 K HA 0.315 4.034 4.320 -1.001 0.000 0.205 419 K C -2.997 173.521 176.600 -0.137 0.000 1.093 419 K CA -1.489 54.708 56.287 -0.150 0.000 1.035 419 K CB 1.535 33.954 32.500 -0.134 0.000 1.220 419 K HN -0.114 nan 8.250 nan 0.000 0.576 420 P HA 0.112 nan 4.420 nan 0.000 0.265 420 P C 0.931 178.156 177.300 -0.124 0.000 1.193 420 P CA -0.006 63.020 63.100 -0.123 0.000 0.765 420 P CB 0.705 32.328 31.700 -0.129 0.000 0.823 421 M N 3.283 122.772 119.600 -0.186 0.000 2.200 421 M HA 0.016 3.895 4.480 -1.001 0.000 0.265 421 M C -0.132 176.148 176.300 -0.034 0.000 1.066 421 M CA 1.816 57.037 55.300 -0.131 0.000 1.127 421 M CB 0.028 32.542 32.600 -0.144 0.000 1.379 421 M HN 0.393 nan 8.290 nan 0.000 0.420 422 F N -2.502 117.465 119.950 0.028 0.000 2.711 422 F HA 0.726 4.651 4.527 -1.003 0.000 0.313 422 F C -1.403 174.441 175.800 0.073 0.000 1.141 422 F CA -1.755 56.249 58.000 0.007 0.000 0.941 422 F CB 0.690 39.648 39.000 -0.069 0.000 1.349 422 F HN -0.275 nan 8.300 nan 0.000 0.464 423 A N 1.368 124.415 122.820 0.379 0.000 2.293 423 A HA 0.855 4.574 4.320 -1.001 0.000 0.312 423 A C -0.365 177.429 177.584 0.350 0.000 1.309 423 A CA -0.234 51.969 52.037 0.277 0.000 0.839 423 A CB -0.092 18.985 19.000 0.129 0.000 1.155 423 A HN 1.472 nan 8.150 nan 0.000 0.501 424 A N 2.004 125.102 122.820 0.462 0.000 2.322 424 A HA 0.738 4.457 4.320 -1.001 0.000 0.269 424 A C 0.774 178.556 177.584 0.330 0.000 1.094 424 A CA 0.183 52.487 52.037 0.444 0.000 0.807 424 A CB 0.333 19.696 19.000 0.605 0.000 1.047 424 A HN 2.001 nan 8.150 nan 0.000 0.487 425 A N 1.116 124.123 122.820 0.312 0.000 2.371 425 A HA 0.495 4.215 4.320 -1.001 0.000 0.257 425 A C 0.424 178.181 177.584 0.289 0.000 1.089 425 A CA -0.263 51.919 52.037 0.241 0.000 0.794 425 A CB 0.120 19.234 19.000 0.189 0.000 1.029 425 A HN 0.834 nan 8.150 nan 0.000 0.488 426 K N 1.012 121.537 120.400 0.208 0.000 2.201 426 K HA 0.453 4.173 4.320 -1.001 0.000 0.278 426 K C 0.905 177.565 176.600 0.101 0.000 1.027 426 K CA 0.614 57.015 56.287 0.189 0.000 0.909 426 K CB 0.453 33.036 32.500 0.139 0.000 1.062 426 K HN 1.595 nan 8.250 nan 0.000 0.465 427 G N 2.676 111.507 108.800 0.052 0.000 2.160 427 G HA2 -0.210 3.149 3.960 -1.001 0.000 0.251 427 G HA3 -0.210 3.149 3.960 -1.001 0.000 0.251 427 G C -0.478 174.359 174.900 -0.104 0.000 1.008 427 G CA 0.033 45.096 45.100 -0.061 0.000 0.724 427 G HN 0.529 nan 8.290 nan 0.000 0.514 428 Q N -0.780 118.983 119.800 -0.061 0.000 2.337 428 Q HA 0.452 4.191 4.340 -1.001 0.000 0.270 428 Q C -0.360 175.596 176.000 -0.074 0.000 1.043 428 Q CA -0.902 54.869 55.803 -0.054 0.000 0.794 428 Q CB 1.357 30.136 28.738 0.068 0.000 1.281 428 Q HN 0.316 nan 8.270 nan 0.000 0.446 429 Y N 1.095 121.421 120.300 0.043 0.000 2.712 429 Y HA 0.010 3.958 4.550 -1.003 0.000 0.333 429 Y C 0.867 176.801 175.900 0.057 0.000 1.225 429 Y CA 0.837 58.950 58.100 0.021 0.000 1.499 429 Y CB 0.556 39.028 38.460 0.020 0.000 1.288 429 Y HN 0.360 nan 8.280 nan 0.000 0.575 430 E N 2.436 122.764 120.200 0.212 0.000 2.343 430 E HA 0.474 4.223 4.350 -1.001 0.000 0.270 430 E C -0.879 175.844 176.600 0.205 0.000 0.895 430 E CA -1.265 55.278 56.400 0.238 0.000 0.767 430 E CB 2.044 31.983 29.700 0.398 0.000 1.248 430 E HN 0.431 nan 8.360 nan 0.000 0.440 431 R N 1.640 122.273 120.500 0.222 0.000 2.265 431 R HA 0.274 4.014 4.340 -1.001 0.000 0.328 431 R C -1.247 175.240 176.300 0.311 0.000 0.969 431 R CA -0.606 55.598 56.100 0.173 0.000 0.832 431 R CB 0.785 31.133 30.300 0.079 0.000 1.139 431 R HN 0.360 nan 8.270 nan 0.000 0.457 432 W N 2.807 124.044 121.300 -0.105 0.000 2.478 432 W HA 0.354 4.415 4.660 -0.998 0.000 0.318 432 W C -0.374 176.061 176.519 -0.140 0.000 1.062 432 W CA -0.677 56.590 57.345 -0.130 0.000 1.210 432 W CB 1.452 30.843 29.460 -0.115 0.000 1.325 432 W HN 0.101 nan 8.180 nan 0.000 0.496 433 V N 6.107 126.038 119.914 0.028 0.000 2.357 433 V HA 0.419 3.938 4.120 -1.001 0.000 0.284 433 V C -0.378 175.659 176.094 -0.095 0.000 1.018 433 V CA -0.837 61.441 62.300 -0.036 0.000 0.841 433 V CB 0.915 32.707 31.823 -0.053 0.000 0.991 433 V HN 0.244 nan 8.190 nan 0.000 0.437 434 I N 4.029 124.530 120.570 -0.116 0.000 2.382 434 I HA 0.490 4.059 4.170 -1.001 0.000 0.286 434 I C 0.124 176.153 176.117 -0.147 0.000 1.002 434 I CA 0.087 61.251 61.300 -0.228 0.000 1.135 434 I CB 2.013 39.758 38.000 -0.424 0.000 1.288 434 I HN 0.553 nan 8.210 nan 0.000 0.448 435 S N 3.479 119.098 115.700 -0.136 0.000 2.472 435 S HA 0.703 4.573 4.470 -1.001 0.000 0.303 435 S C 0.663 175.230 174.600 -0.054 0.000 1.099 435 S CA -0.402 57.756 58.200 -0.069 0.000 1.077 435 S CB 1.349 64.515 63.200 -0.056 0.000 1.031 435 S HN 0.827 nan 8.310 nan 0.000 0.487 436 G N 2.872 111.680 108.800 0.013 0.000 3.575 436 G HA2 0.283 3.643 3.960 -1.001 0.000 0.273 436 G HA3 0.283 3.643 3.960 -1.001 0.000 0.273 436 G C -0.038 174.901 174.900 0.065 0.000 1.053 436 G CA -0.134 45.008 45.100 0.069 0.000 0.803 436 G HN 0.659 nan 8.290 nan 0.000 0.528 437 V N 0.873 120.804 119.914 0.029 0.000 2.599 437 V HA 0.443 3.962 4.120 -1.001 0.000 0.300 437 V C 1.576 177.684 176.094 0.023 0.000 1.034 437 V CA 1.754 64.070 62.300 0.025 0.000 1.115 437 V CB 0.716 32.544 31.823 0.009 0.000 0.934 437 V HN 0.716 nan 8.190 nan 0.000 0.485 438 G N 4.140 112.958 108.800 0.031 0.000 2.278 438 G HA2 -0.145 3.214 3.960 -1.001 0.000 0.210 438 G HA3 -0.145 3.214 3.960 -1.001 0.000 0.210 438 G C -0.225 174.702 174.900 0.044 0.000 1.000 438 G CA 0.169 45.286 45.100 0.028 0.000 0.635 438 G HN 1.008 nan 8.290 nan 0.000 0.495 439 D N -1.362 119.081 120.400 0.073 0.000 2.559 439 D HA 0.713 4.753 4.640 -1.001 0.000 0.250 439 D C 0.827 177.187 176.300 0.100 0.000 1.135 439 D CA -1.038 53.017 54.000 0.091 0.000 0.955 439 D CB 0.598 41.469 40.800 0.119 0.000 1.442 439 D HN -0.109 nan 8.370 nan 0.000 0.471 440 M N 0.165 119.809 119.600 0.073 0.000 2.404 440 M HA 0.205 4.084 4.480 -1.001 0.000 0.271 440 M C -0.338 175.971 176.300 0.015 0.000 1.128 440 M CA -0.087 55.241 55.300 0.046 0.000 0.982 440 M CB -0.147 32.470 32.600 0.027 0.000 1.445 440 M HN 0.477 nan 8.290 nan 0.000 0.495 441 M N 0.801 120.407 119.600 0.011 0.000 2.198 441 M HA 0.219 4.099 4.480 -1.001 0.000 0.315 441 M C 0.002 176.105 176.300 -0.329 0.000 1.134 441 M CA -0.624 54.609 55.300 -0.111 0.000 1.171 441 M CB 0.136 32.714 32.600 -0.037 0.000 1.413 441 M HN 0.061 nan 8.290 nan 0.000 0.467 442 L N 3.278 124.322 121.223 -0.298 0.000 2.265 442 L HA 0.272 4.011 4.340 -1.001 0.000 0.288 442 L C -0.798 175.901 176.870 -0.286 0.000 1.058 442 L CA 0.273 54.980 54.840 -0.221 0.000 0.809 442 L CB 0.054 42.060 42.059 -0.088 0.000 1.179 442 L HN 0.430 nan 8.230 nan 0.000 0.429 443 H N 5.468 124.666 119.070 0.213 0.000 2.786 443 H HA 0.352 4.305 4.556 -1.005 0.000 0.284 443 H C -2.438 173.071 175.328 0.302 0.000 1.104 443 H CA -2.174 54.049 56.048 0.292 0.000 1.339 443 H CB 0.823 30.778 29.762 0.320 0.000 1.427 443 H HN 0.462 nan 8.280 nan 0.000 0.497 444 P HA 0.032 nan 4.420 nan 0.000 0.274 444 P C -0.307 177.258 177.300 0.442 0.000 1.291 444 P CA -0.060 63.253 63.100 0.355 0.000 0.815 444 P CB -0.234 31.629 31.700 0.272 0.000 0.897 445 F N 4.458 124.597 119.950 0.315 0.000 2.411 445 F HA 0.352 4.286 4.527 -0.988 0.000 0.355 445 F C 0.360 176.380 175.800 0.366 0.000 1.117 445 F CA -0.363 57.821 58.000 0.308 0.000 1.139 445 F CB 0.515 39.664 39.000 0.250 0.000 1.120 445 F HN 0.321 nan 8.300 nan 0.000 0.493 446 H N 6.022 124.889 119.070 -0.338 0.000 2.469 446 H HA 0.605 4.615 4.556 -0.910 0.000 0.342 446 H C -1.265 173.927 175.328 -0.227 0.000 1.115 446 H CA -0.841 55.126 56.048 -0.136 0.000 1.204 446 H CB 1.098 30.803 29.762 -0.095 0.000 1.492 446 H HN 0.590 nan 8.280 nan 0.000 0.499 447 I N 5.386 125.763 120.570 -0.321 0.000 2.389 447 I HA 0.205 3.774 4.170 -1.001 0.000 0.288 447 I C 0.213 176.190 176.117 -0.234 0.000 0.999 447 I CA -0.652 60.588 61.300 -0.100 0.000 1.129 447 I CB 1.243 39.353 38.000 0.184 0.000 1.288 447 I HN 0.598 nan 8.210 nan 0.000 0.444 448 H N 4.031 122.938 119.070 -0.271 0.000 2.679 448 H HA 0.165 4.128 4.556 -0.989 0.000 0.369 448 H C 1.114 176.279 175.328 -0.272 0.000 1.178 448 H CA 0.547 56.470 56.048 -0.209 0.000 1.419 448 H CB 0.960 30.663 29.762 -0.099 0.000 1.458 448 H HN 0.971 nan 8.280 nan 0.000 0.605 449 G N 1.273 109.932 108.800 -0.234 0.000 2.143 449 G HA2 -0.276 3.084 3.960 -1.001 0.000 0.249 449 G HA3 -0.276 3.084 3.960 -1.001 0.000 0.249 449 G C 0.267 175.157 174.900 -0.015 0.000 0.981 449 G CA 0.574 45.415 45.100 -0.431 0.000 0.665 449 G HN 0.843 nan 8.290 nan 0.000 0.528 450 T N -0.922 113.629 114.554 -0.005 0.000 2.840 450 T HA 0.563 4.313 4.350 -1.001 0.000 0.317 450 T C -1.841 172.803 174.700 -0.094 0.000 1.401 450 T CA -0.447 61.617 62.100 -0.061 0.000 1.028 450 T CB 1.735 70.487 68.868 -0.192 0.000 1.317 450 T HN 0.138 nan 8.240 nan 0.000 0.495 451 Q N 2.889 122.604 119.800 -0.140 0.000 2.333 451 Q HA 0.483 4.222 4.340 -1.001 0.000 0.268 451 Q C -0.881 175.168 176.000 0.081 0.000 1.007 451 Q CA -0.482 55.238 55.803 -0.138 0.000 0.810 451 Q CB 1.452 30.067 28.738 -0.205 0.000 1.264 451 Q HN 0.648 nan 8.270 nan 0.000 0.452 452 F N -0.048 120.018 119.950 0.193 0.000 2.518 452 F HA 0.743 4.677 4.527 -0.987 0.000 0.338 452 F C -0.075 175.861 175.800 0.227 0.000 1.065 452 F CA -1.326 56.780 58.000 0.177 0.000 1.012 452 F CB 0.804 39.794 39.000 -0.017 0.000 1.297 452 F HN 0.084 nan 8.300 nan 0.000 0.489 453 R N 1.543 122.311 120.500 0.446 0.000 2.445 453 R HA 0.499 4.238 4.340 -1.001 0.000 0.308 453 R C -0.919 175.517 176.300 0.228 0.000 0.961 453 R CA -0.730 55.482 56.100 0.186 0.000 0.862 453 R CB 1.734 32.005 30.300 -0.047 0.000 1.144 453 R HN 0.770 nan 8.270 nan 0.000 0.447 454 I N 4.358 125.052 120.570 0.207 0.000 2.416 454 I HA 0.018 3.588 4.170 -1.001 0.000 0.288 454 I C 1.580 177.720 176.117 0.038 0.000 1.051 454 I CA -0.023 61.358 61.300 0.135 0.000 1.375 454 I CB 0.770 38.869 38.000 0.164 0.000 1.407 454 I HN 0.434 nan 8.210 nan 0.000 0.516 455 L N 3.843 125.070 121.223 0.007 0.000 2.145 455 L HA 0.128 3.867 4.340 -1.001 0.000 0.201 455 L C 0.981 177.848 176.870 -0.003 0.000 1.075 455 L CA 0.775 55.608 54.840 -0.011 0.000 0.773 455 L CB -0.174 41.872 42.059 -0.021 0.000 0.936 455 L HN 0.539 nan 8.230 nan 0.000 0.451 456 S N -0.412 115.290 115.700 0.004 0.000 2.571 456 S HA 0.299 4.168 4.470 -1.001 0.000 0.284 456 S C -1.012 173.604 174.600 0.026 0.000 1.128 456 S CA -0.602 57.604 58.200 0.011 0.000 0.970 456 S CB 1.688 64.890 63.200 0.004 0.000 1.039 456 S HN 0.205 nan 8.310 nan 0.000 0.485 457 E N 3.310 123.531 120.200 0.036 0.000 2.101 457 E HA 0.331 4.080 4.350 -1.001 0.000 0.260 457 E C -0.263 176.367 176.600 0.050 0.000 0.897 457 E CA -0.266 56.168 56.400 0.057 0.000 0.744 457 E CB 0.284 30.026 29.700 0.069 0.000 1.140 457 E HN 0.751 nan 8.360 nan 0.000 0.419 458 N N 3.781 122.513 118.700 0.052 0.000 2.721 458 N HA -0.261 3.878 4.740 -1.001 0.000 0.249 458 N C 0.360 175.890 175.510 0.034 0.000 1.072 458 N CA 1.781 54.860 53.050 0.049 0.000 0.710 458 N CB -1.032 37.493 38.487 0.063 0.000 0.993 458 N HN 0.878 nan 8.380 nan 0.000 0.547 459 G N -2.159 106.656 108.800 0.025 0.000 2.229 459 G HA2 -0.207 3.152 3.960 -1.001 0.000 0.189 459 G HA3 -0.207 3.152 3.960 -1.001 0.000 0.189 459 G C -0.187 174.721 174.900 0.013 0.000 1.000 459 G CA 0.225 45.335 45.100 0.017 0.000 0.663 459 G HN 0.552 nan 8.290 nan 0.000 0.493 460 K N 0.200 120.609 120.400 0.016 0.000 2.532 460 K HA 0.514 4.233 4.320 -1.001 0.000 0.265 460 K C -3.099 173.507 176.600 0.010 0.000 0.948 460 K CA -2.148 54.146 56.287 0.011 0.000 0.842 460 K CB 2.860 35.368 32.500 0.013 0.000 1.392 460 K HN -0.086 nan 8.250 nan 0.000 0.436 461 P HA 0.002 nan 4.420 nan 0.000 0.266 461 P C -2.407 174.894 177.300 0.001 0.000 1.193 461 P CA -0.668 62.432 63.100 -0.000 0.000 0.770 461 P CB -0.217 31.479 31.700 -0.006 0.000 0.836 462 P HA 0.074 nan 4.420 nan 0.000 0.272 462 P C -0.480 176.801 177.300 -0.033 0.000 1.223 462 P CA -0.100 62.993 63.100 -0.011 0.000 0.784 462 P CB 0.396 32.093 31.700 -0.005 0.000 0.923 463 A N 2.349 125.132 122.820 -0.061 0.000 2.547 463 A HA 0.271 3.990 4.320 -1.001 0.000 0.233 463 A C 1.815 179.347 177.584 -0.088 0.000 1.067 463 A CA 0.480 52.477 52.037 -0.067 0.000 0.763 463 A CB -0.594 18.349 19.000 -0.095 0.000 1.007 463 A HN 0.627 nan 8.150 nan 0.000 0.506 464 A N 0.870 123.699 122.820 0.015 0.000 1.908 464 A HA -0.199 3.520 4.320 -1.001 0.000 0.218 464 A C 1.771 179.389 177.584 0.057 0.000 1.181 464 A CA 1.964 54.025 52.037 0.039 0.000 0.627 464 A CB -1.021 18.024 19.000 0.075 0.000 0.818 464 A HN 1.141 nan 8.150 nan 0.000 0.445 465 H N -1.244 117.854 119.070 0.047 0.000 2.555 465 H HA 0.143 4.095 4.556 -1.007 0.000 0.269 465 H C 1.230 176.686 175.328 0.213 0.000 0.988 465 H CA 1.046 57.153 56.048 0.098 0.000 1.178 465 H CB -0.233 29.545 29.762 0.026 0.000 1.373 465 H HN 0.536 nan 8.280 nan 0.000 0.588 466 R N 0.259 120.614 120.500 -0.240 0.000 2.432 466 R HA 0.368 4.107 4.340 -1.001 0.000 0.260 466 R C 1.350 177.641 176.300 -0.015 0.000 0.935 466 R CA 0.449 56.506 56.100 -0.071 0.000 1.080 466 R CB 0.736 30.947 30.300 -0.148 0.000 1.155 466 R HN 0.258 nan 8.270 nan 0.000 0.531 467 A N 0.607 123.407 122.820 -0.035 0.000 2.275 467 A HA 0.269 3.988 4.320 -1.001 0.000 0.212 467 A C 1.184 178.696 177.584 -0.120 0.000 1.201 467 A CA 0.369 52.373 52.037 -0.056 0.000 0.843 467 A CB 0.177 19.144 19.000 -0.055 0.000 0.873 467 A HN 0.325 nan 8.150 nan 0.000 0.492 468 G N -0.985 107.745 108.800 -0.117 0.000 3.137 468 G HA2 0.371 3.730 3.960 -1.001 0.000 0.163 468 G HA3 0.371 3.730 3.960 -1.001 0.000 0.163 468 G C -0.640 174.089 174.900 -0.284 0.000 1.602 468 G CA -0.852 44.081 45.100 -0.277 0.000 1.067 468 G HN 0.430 nan 8.290 nan 0.000 0.568 469 W N 1.358 122.653 121.300 -0.008 0.000 2.335 469 W HA 0.562 4.615 4.660 -1.012 0.000 0.306 469 W C 0.089 176.527 176.519 -0.135 0.000 1.216 469 W CA -0.603 56.706 57.345 -0.060 0.000 1.237 469 W CB 1.109 30.539 29.460 -0.051 0.000 1.243 469 W HN -0.085 nan 8.180 nan 0.000 0.493 470 K N 2.127 122.523 120.400 -0.008 0.000 2.426 470 K HA 0.183 3.903 4.320 -1.001 0.000 0.251 470 K C -0.112 175.990 176.600 -0.829 0.000 0.941 470 K CA -0.642 55.477 56.287 -0.279 0.000 0.808 470 K CB 2.001 34.419 32.500 -0.137 0.000 1.265 470 K HN 0.536 nan 8.250 nan 0.000 0.432 471 D N -1.483 118.613 120.400 -0.507 0.000 2.433 471 D HA 0.077 4.116 4.640 -1.001 0.000 0.211 471 D C -0.450 175.915 176.300 0.108 0.000 1.114 471 D CA -0.018 53.730 54.000 -0.419 0.000 0.837 471 D CB 0.618 41.451 40.800 0.054 0.000 0.984 471 D HN 0.244 nan 8.370 nan 0.000 0.505 472 T N -0.110 114.542 114.554 0.164 0.000 2.912 472 T HA 0.554 4.303 4.350 -1.001 0.000 0.299 472 T C -1.482 173.519 174.700 0.502 0.000 1.052 472 T CA -0.787 61.570 62.100 0.429 0.000 0.996 472 T CB 2.543 71.576 68.868 0.275 0.000 1.070 472 T HN -0.059 nan 8.240 nan 0.000 0.465 473 V N 2.692 122.922 119.914 0.527 0.000 2.760 473 V HA 0.592 4.111 4.120 -1.001 0.000 0.309 473 V C -0.508 175.779 176.094 0.321 0.000 1.077 473 V CA -1.011 61.526 62.300 0.396 0.000 0.910 473 V CB 1.868 33.896 31.823 0.341 0.000 1.008 473 V HN 0.852 nan 8.190 nan 0.000 0.424 474 K N 4.365 124.909 120.400 0.240 0.000 2.412 474 K HA 0.478 4.197 4.320 -1.001 0.000 0.281 474 K C -1.244 175.472 176.600 0.192 0.000 1.027 474 K CA -0.075 56.336 56.287 0.206 0.000 0.989 474 K CB 0.868 33.458 32.500 0.149 0.000 0.935 474 K HN 0.568 nan 8.250 nan 0.000 0.475 475 V N 4.742 124.789 119.914 0.221 0.000 2.482 475 V HA 0.272 3.791 4.120 -1.001 0.000 0.295 475 V C -0.894 175.330 176.094 0.216 0.000 1.026 475 V CA -0.598 61.822 62.300 0.199 0.000 0.856 475 V CB 1.423 33.371 31.823 0.208 0.000 1.001 475 V HN 0.926 nan 8.190 nan 0.000 0.424 476 E N 3.608 123.897 120.200 0.147 0.000 2.646 476 E HA 0.464 4.213 4.350 -1.001 0.000 0.336 476 E C 0.647 177.298 176.600 0.085 0.000 1.027 476 E CA 0.410 56.874 56.400 0.107 0.000 0.765 476 E CB 0.933 30.666 29.700 0.055 0.000 1.545 476 E HN 1.042 nan 8.360 nan 0.000 0.382 477 G N 3.162 112.025 108.800 0.104 0.000 2.168 477 G HA2 -0.298 3.061 3.960 -1.001 0.000 0.263 477 G HA3 -0.298 3.061 3.960 -1.001 0.000 0.263 477 G C 0.167 175.099 174.900 0.053 0.000 0.977 477 G CA 0.683 45.826 45.100 0.071 0.000 0.659 477 G HN 0.543 nan 8.290 nan 0.000 0.533 478 N N -1.842 116.892 118.700 0.057 0.000 3.506 478 N HA 0.645 4.784 4.740 -1.001 0.000 0.331 478 N C -1.035 174.495 175.510 0.032 0.000 1.631 478 N CA 0.236 53.308 53.050 0.037 0.000 0.786 478 N CB 1.612 40.119 38.487 0.034 0.000 2.023 478 N HN 0.262 nan 8.380 nan 0.000 0.621 479 V N 0.672 120.598 119.914 0.019 0.000 2.656 479 V HA 0.598 4.117 4.120 -1.001 0.000 0.307 479 V C -0.350 175.748 176.094 0.008 0.000 1.051 479 V CA -0.588 61.713 62.300 0.002 0.000 0.893 479 V CB 1.481 33.298 31.823 -0.010 0.000 0.999 479 V HN 0.602 nan 8.190 nan 0.000 0.426 480 S N 2.581 118.281 115.700 -0.000 0.000 2.607 480 S HA 0.690 4.559 4.470 -1.001 0.000 0.303 480 S C -0.765 173.826 174.600 -0.015 0.000 1.086 480 S CA -0.719 57.485 58.200 0.007 0.000 0.995 480 S CB 2.115 65.337 63.200 0.036 0.000 1.084 480 S HN 0.836 nan 8.310 nan 0.000 0.507 481 E N 1.303 121.494 120.200 -0.014 0.000 2.263 481 E HA 0.570 4.320 4.350 -1.001 0.000 0.268 481 E C -1.503 175.064 176.600 -0.055 0.000 0.884 481 E CA -0.746 55.639 56.400 -0.024 0.000 0.766 481 E CB 1.428 31.120 29.700 -0.014 0.000 1.196 481 E HN 0.504 nan 8.360 nan 0.000 0.416 482 V N 1.949 121.799 119.914 -0.107 0.000 2.823 482 V HA 0.650 4.169 4.120 -1.001 0.000 0.312 482 V C -1.146 174.856 176.094 -0.154 0.000 1.072 482 V CA -1.086 61.076 62.300 -0.231 0.000 0.937 482 V CB 1.625 33.007 31.823 -0.735 0.000 1.013 482 V HN 0.618 nan 8.190 nan 0.000 0.430 483 L N 4.549 125.722 121.223 -0.083 0.000 2.262 483 L HA 0.807 4.546 4.340 -1.001 0.000 0.288 483 L C -0.429 176.456 176.870 0.024 0.000 1.035 483 L CA -0.007 54.826 54.840 -0.011 0.000 0.820 483 L CB 1.165 43.224 42.059 -0.001 0.000 1.204 483 L HN 0.825 nan 8.230 nan 0.000 0.424 484 V N 5.782 125.639 119.914 -0.096 0.000 2.864 484 V HA 0.690 4.210 4.120 -1.001 0.000 0.314 484 V C -1.024 174.873 176.094 -0.328 0.000 1.073 484 V CA -0.659 61.463 62.300 -0.298 0.000 0.956 484 V CB 2.192 33.541 31.823 -0.790 0.000 1.023 484 V HN 0.887 nan 8.190 nan 0.000 0.435 485 K N 4.175 124.259 120.400 -0.527 0.000 2.535 485 K HA 0.561 4.281 4.320 -1.001 0.000 0.251 485 K C -2.153 174.070 176.600 -0.628 0.000 0.942 485 K CA -0.472 55.510 56.287 -0.509 0.000 0.798 485 K CB 1.604 33.827 32.500 -0.463 0.000 1.267 485 K HN 0.515 nan 8.250 nan 0.000 0.434 486 F N 3.210 123.156 119.950 -0.007 0.000 2.402 486 F HA 0.356 4.278 4.527 -1.007 0.000 0.355 486 F C 0.905 176.700 175.800 -0.010 0.000 1.123 486 F CA -0.872 57.161 58.000 0.055 0.000 1.021 486 F CB 1.452 40.586 39.000 0.222 0.000 1.160 486 F HN 0.495 nan 8.300 nan 0.000 0.451 487 N N 1.501 120.209 118.700 0.014 0.000 2.336 487 N HA 0.007 4.147 4.740 -1.001 0.000 0.189 487 N C -0.220 174.949 175.510 -0.568 0.000 1.113 487 N CA 0.315 53.177 53.050 -0.312 0.000 0.858 487 N CB 0.025 38.233 38.487 -0.466 0.000 0.970 487 N HN 0.544 nan 8.380 nan 0.000 0.471 488 H N -0.445 118.752 119.070 0.213 0.000 2.928 488 H HA 0.267 4.222 4.556 -1.001 0.000 0.371 488 H C -0.709 174.747 175.328 0.214 0.000 1.186 488 H CA -0.631 55.529 56.048 0.187 0.000 1.134 488 H CB 1.609 31.485 29.762 0.191 0.000 1.824 488 H HN -0.085 nan 8.280 nan 0.000 0.554 489 D N 0.847 121.378 120.400 0.217 0.000 2.341 489 D HA 0.428 4.468 4.640 -1.001 0.000 0.245 489 D C -0.185 176.076 176.300 -0.065 0.000 1.106 489 D CA -0.099 53.959 54.000 0.096 0.000 0.905 489 D CB 1.539 42.385 40.800 0.077 0.000 1.202 489 D HN 0.594 nan 8.370 nan 0.000 0.426 490 A N 2.933 125.626 122.820 -0.212 0.000 2.599 490 A HA 0.451 4.171 4.320 -1.001 0.000 0.281 490 A C -2.666 174.755 177.584 -0.272 0.000 1.137 490 A CA -1.136 50.620 52.037 -0.468 0.000 0.767 490 A CB 1.558 19.814 19.000 -1.241 0.000 1.266 490 A HN 0.238 nan 8.150 nan 0.000 0.420 491 P HA 0.193 nan 4.420 nan 0.000 0.279 491 P C 0.709 177.880 177.300 -0.216 0.000 1.282 491 P CA -0.406 62.604 63.100 -0.150 0.000 0.788 491 P CB 1.116 32.762 31.700 -0.090 0.000 1.139 492 K N 0.350 120.628 120.400 -0.203 0.000 2.113 492 K HA -0.211 3.509 4.320 -1.001 0.000 0.208 492 K C 1.425 177.880 176.600 -0.242 0.000 1.047 492 K CA 1.981 58.147 56.287 -0.202 0.000 0.928 492 K CB -0.186 32.213 32.500 -0.168 0.000 0.716 492 K HN 0.298 nan 8.250 nan 0.000 0.446 493 E N -0.450 119.546 120.200 -0.339 0.000 2.285 493 E HA -0.077 3.673 4.350 -1.001 0.000 0.194 493 E C 0.019 176.306 176.600 -0.522 0.000 0.997 493 E CA 0.842 56.970 56.400 -0.454 0.000 0.845 493 E CB 0.158 29.501 29.700 -0.596 0.000 0.782 493 E HN 0.399 nan 8.360 nan 0.000 0.491 494 H N -0.422 118.559 119.070 -0.149 0.000 2.439 494 H HA 0.565 4.520 4.556 -1.001 0.000 0.230 494 H C -0.538 174.619 175.328 -0.286 0.000 1.420 494 H CA -0.750 55.193 56.048 -0.176 0.000 1.305 494 H CB -0.232 29.434 29.762 -0.159 0.000 1.667 494 H HN 0.074 nan 8.280 nan 0.000 0.515 495 A N 0.975 123.671 122.820 -0.206 0.000 2.386 495 A HA 0.356 4.076 4.320 -1.001 0.000 0.248 495 A C -0.556 176.794 177.584 -0.390 0.000 1.082 495 A CA -0.253 51.581 52.037 -0.338 0.000 0.789 495 A CB 0.381 19.230 19.000 -0.253 0.000 1.025 495 A HN 0.303 nan 8.150 nan 0.000 0.490 496 Y N 0.868 120.820 120.300 -0.579 0.000 2.336 496 Y HA 0.323 4.276 4.550 -0.996 0.000 0.331 496 Y C 0.839 176.316 175.900 -0.705 0.000 1.211 496 Y CA -0.429 57.246 58.100 -0.709 0.000 1.346 496 Y CB 0.561 38.316 38.460 -1.175 0.000 1.271 496 Y HN 0.442 nan 8.280 nan 0.000 0.538 497 M N 2.153 121.460 119.600 -0.489 0.000 2.423 497 M HA 0.631 4.510 4.480 -1.001 0.000 0.335 497 M C -0.456 175.803 176.300 -0.069 0.000 1.177 497 M CA -0.900 54.136 55.300 -0.440 0.000 1.038 497 M CB 1.415 33.482 32.600 -0.888 0.000 1.641 497 M HN 0.679 nan 8.290 nan 0.000 0.455 498 A N 2.628 125.569 122.820 0.200 0.000 2.359 498 A HA 0.798 4.517 4.320 -1.001 0.000 0.303 498 A C -1.099 176.495 177.584 0.016 0.000 1.066 498 A CA -0.510 51.616 52.037 0.149 0.000 0.730 498 A CB 0.687 20.009 19.000 0.538 0.000 1.211 498 A HN 1.066 nan 8.150 nan 0.000 0.439 499 H N -1.303 117.465 119.070 -0.503 0.000 3.003 499 H HA 0.560 4.511 4.556 -1.008 0.000 0.327 499 H C -0.692 174.491 175.328 -0.243 0.000 1.353 499 H CA -0.741 55.167 56.048 -0.233 0.000 1.142 499 H CB 0.453 30.181 29.762 -0.056 0.000 1.864 499 H HN 0.783 nan 8.280 nan 0.000 0.529 500 C N 2.229 121.714 119.300 0.307 0.000 2.648 500 C HA 0.067 3.927 4.460 -1.001 0.000 0.419 500 C C 1.206 176.470 174.990 0.457 0.000 1.352 500 C CA 0.051 59.327 59.018 0.431 0.000 1.816 500 C CB -0.908 27.163 27.740 0.552 0.000 2.598 500 C HN 1.003 nan 8.230 nan 0.000 0.598 501 H N 3.971 123.231 119.070 0.318 0.000 2.517 501 H HA 0.195 4.233 4.556 -0.863 0.000 0.282 501 H C 0.390 175.853 175.328 0.225 0.000 1.023 501 H CA 0.130 56.373 56.048 0.324 0.000 1.169 501 H CB 0.135 30.069 29.762 0.287 0.000 1.454 501 H HN 0.675 nan 8.280 nan 0.000 0.556 502 L N 1.999 123.382 121.223 0.266 0.000 2.433 502 L HA 0.033 3.772 4.340 -1.001 0.000 0.284 502 L C 0.962 177.876 176.870 0.075 0.000 1.120 502 L CA -0.235 54.657 54.840 0.088 0.000 0.879 502 L CB 0.255 42.230 42.059 -0.141 0.000 1.232 502 L HN 0.233 nan 8.230 nan 0.000 0.454 503 L N 2.856 124.120 121.223 0.068 0.000 2.131 503 L HA -0.181 3.559 4.340 -1.001 0.000 0.210 503 L C 1.842 178.754 176.870 0.071 0.000 1.092 503 L CA 0.885 55.736 54.840 0.018 0.000 0.759 503 L CB -0.217 41.828 42.059 -0.023 0.000 0.903 503 L HN 0.661 nan 8.230 nan 0.000 0.435 504 E N -0.816 119.448 120.200 0.108 0.000 2.204 504 E HA -0.161 3.588 4.350 -1.001 0.000 0.194 504 E C 1.971 178.719 176.600 0.245 0.000 0.989 504 E CA 0.966 57.461 56.400 0.157 0.000 0.824 504 E CB -0.228 29.565 29.700 0.155 0.000 0.756 504 E HN 0.562 nan 8.360 nan 0.000 0.477 505 H N -0.328 118.833 119.070 0.152 0.000 2.333 505 H HA -0.030 3.928 4.556 -0.997 0.000 0.302 505 H C 2.089 177.503 175.328 0.143 0.000 1.075 505 H CA 0.999 57.149 56.048 0.171 0.000 1.348 505 H CB 0.218 30.129 29.762 0.248 0.000 1.393 505 H HN 0.189 nan 8.280 nan 0.000 0.509 506 E N 0.996 121.345 120.200 0.249 0.000 2.058 506 E HA -0.213 3.537 4.350 -1.001 0.000 0.194 506 E C 1.255 177.899 176.600 0.073 0.000 0.997 506 E CA 1.464 57.933 56.400 0.114 0.000 0.801 506 E CB 0.074 29.759 29.700 -0.025 0.000 0.746 506 E HN 0.405 nan 8.360 nan 0.000 0.450 507 D N -0.262 120.184 120.400 0.077 0.000 2.264 507 D HA -0.087 3.953 4.640 -1.001 0.000 0.208 507 D C 1.467 177.826 176.300 0.098 0.000 0.966 507 D CA 1.550 55.592 54.000 0.070 0.000 0.864 507 D CB 0.047 40.881 40.800 0.057 0.000 0.933 507 D HN 0.324 nan 8.370 nan 0.000 0.499 508 T N -3.964 110.667 114.554 0.128 0.000 3.176 508 T HA 0.490 4.240 4.350 -1.001 0.000 0.263 508 T C 1.294 176.073 174.700 0.132 0.000 1.021 508 T CA 0.254 62.425 62.100 0.119 0.000 0.905 508 T CB 0.892 69.830 68.868 0.117 0.000 1.057 508 T HN 0.108 nan 8.240 nan 0.000 0.558 509 G N 1.553 110.453 108.800 0.166 0.000 2.260 509 G HA2 -0.166 3.193 3.960 -1.001 0.000 0.179 509 G HA3 -0.166 3.193 3.960 -1.001 0.000 0.179 509 G C 0.146 175.165 174.900 0.197 0.000 1.002 509 G CA -0.147 45.073 45.100 0.200 0.000 0.677 509 G HN 0.519 nan 8.290 nan 0.000 0.486 510 M N 1.412 121.119 119.600 0.178 0.000 3.596 510 M HA 0.737 4.617 4.480 -1.001 0.000 0.219 510 M C -0.017 176.424 176.300 0.234 0.000 1.471 510 M CA 0.228 55.646 55.300 0.197 0.000 1.644 510 M CB -0.328 32.394 32.600 0.203 0.000 1.083 510 M HN 0.390 nan 8.290 nan 0.000 0.579 511 M N 3.453 123.176 119.600 0.204 0.000 2.414 511 M HA 0.513 4.393 4.480 -1.001 0.000 0.287 511 M C -2.205 174.231 176.300 0.226 0.000 1.181 511 M CA -0.862 54.508 55.300 0.115 0.000 0.933 511 M CB 1.890 34.321 32.600 -0.281 0.000 1.732 511 M HN 0.387 nan 8.290 nan 0.000 0.486 512 L N 1.581 122.940 121.223 0.225 0.000 2.333 512 L HA 1.122 4.862 4.340 -1.001 0.000 0.263 512 L C -0.456 176.552 176.870 0.230 0.000 1.014 512 L CA -0.382 54.630 54.840 0.287 0.000 0.820 512 L CB 1.772 43.937 42.059 0.176 0.000 1.352 512 L HN 0.647 nan 8.230 nan 0.000 0.421 513 G N 0.681 109.625 108.800 0.239 0.000 2.371 513 G HA2 0.672 4.032 3.960 -1.001 0.000 0.326 513 G HA3 0.672 4.032 3.960 -1.001 0.000 0.326 513 G C -1.238 173.647 174.900 -0.024 0.000 1.127 513 G CA -0.455 44.700 45.100 0.092 0.000 0.885 513 G HN 0.876 nan 8.290 nan 0.000 0.477 514 F N -0.093 119.725 119.950 -0.220 0.000 2.613 514 F HA 0.791 4.713 4.527 -1.008 0.000 0.310 514 F C 0.011 175.721 175.800 -0.150 0.000 1.085 514 F CA -1.326 56.474 58.000 -0.333 0.000 0.945 514 F CB 1.329 40.000 39.000 -0.549 0.000 1.298 514 F HN 0.624 nan 8.300 nan 0.000 0.455 515 T N -0.045 114.488 114.554 -0.034 0.000 2.934 515 T HA 0.806 4.556 4.350 -1.001 0.000 0.283 515 T C -0.927 173.817 174.700 0.073 0.000 1.005 515 T CA -0.751 61.290 62.100 -0.099 0.000 1.041 515 T CB 1.713 70.534 68.868 -0.079 0.000 1.042 515 T HN 0.712 nan 8.240 nan 0.000 0.505 516 V N 1.697 121.611 119.914 0.001 0.000 2.638 516 V HA 0.719 4.238 4.120 -1.001 0.000 0.306 516 V C 1.034 177.192 176.094 0.107 0.000 1.052 516 V CA 0.341 62.722 62.300 0.134 0.000 0.885 516 V CB 0.718 32.675 31.823 0.224 0.000 0.999 516 V HN 1.566 nan 8.190 nan 0.000 0.424 517 G N 3.684 112.571 108.800 0.145 0.000 2.527 517 G HA2 -0.274 3.086 3.960 -1.001 0.000 0.268 517 G HA3 -0.274 3.086 3.960 -1.001 0.000 0.268 517 G C -0.015 174.955 174.900 0.117 0.000 1.175 517 G CA 0.804 45.984 45.100 0.132 0.000 0.962 517 G HN 1.167 nan 8.290 nan 0.000 0.560 518 H N 0.000 119.090 119.070 0.033 0.000 2.539 518 H HA 0.000 3.955 4.556 -1.001 0.000 0.296 518 H CA 0.000 56.056 56.048 0.013 0.000 1.023 518 H CB 0.000 29.767 29.762 0.009 0.000 1.292 518 H HN 0.000 nan 8.280 nan 0.000 0.496