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 3ahy_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLPKDFQWGF ATAAYQIEGA VDQDGRGPSI WDTFCAQPGK IADGSSGVTA DATA SEQUENCE CDSYNRTAED IALLKSLGAK SYRFSISWSR IIPEGGRGDA VNQAGIDHYV DATA SEQUENCE KFVDDLLDAG ITPFITLFHW DLPEGLHQRY GGLLNRTEFP LDFENYARVM DATA SEQUENCE FRALPKVRNW ITFNEPLCSA IPGYGSGTFA PGRQSTSEPW TVGHNILVAH DATA SEQUENCE GRAVKAYRDD FKPASGDGQI GIVLNGDFTY PWDAADPADK EAAERRLEFF DATA SEQUENCE TAWFADPIYL GDYPASMRKQ LGDRLPTFTP EERALVHGSN DFYGMNHYTS DATA SEQUENCE NYIRHRSSPA SADDTVGNVD VLFTNKQGNC IGPETQSPWL RPCAAGFRDF DATA SEQUENCE LVWISKRYGY PPIYVTENGT SIKGESDLPK EKILEDDFRV KYYNEYIRAM DATA SEQUENCE VTAVELDGVN VKGYFAWSLM DNFEWADGYV TRFGVTYVDY ENGQKRFPKK DATA SEQUENCE SAKSLKPLFD ELIAA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.249 176.300 -0.085 0.000 1.140 1 M CA 0.000 55.260 55.300 -0.068 0.000 0.988 1 M CB 0.000 32.578 32.600 -0.037 0.000 1.302 2 L N 4.964 126.124 121.223 -0.106 0.000 2.334 2 L HA 0.696 5.036 4.340 0.000 0.000 0.272 2 L C -2.155 174.714 176.870 -0.002 0.000 1.020 2 L CA -1.879 52.883 54.840 -0.131 0.000 0.812 2 L CB 1.940 43.754 42.059 -0.409 0.000 1.264 2 L HN 0.486 nan 8.230 nan 0.000 0.439 3 P HA 0.013 nan 4.420 nan 0.000 0.268 3 P C -0.230 177.158 177.300 0.147 0.000 1.208 3 P CA -0.291 62.877 63.100 0.115 0.000 0.777 3 P CB 0.416 32.202 31.700 0.143 0.000 0.875 4 K N 1.560 122.027 120.400 0.111 0.000 2.211 4 K HA -0.170 4.150 4.320 0.000 0.000 0.204 4 K C 0.843 177.524 176.600 0.135 0.000 1.047 4 K CA 1.713 58.067 56.287 0.111 0.000 0.935 4 K CB -0.539 32.008 32.500 0.078 0.000 0.728 4 K HN 0.410 nan 8.250 nan 0.000 0.452 5 D N 0.457 120.942 120.400 0.141 0.000 2.328 5 D HA -0.070 4.570 4.640 0.000 0.000 0.221 5 D C -0.116 176.276 176.300 0.152 0.000 1.072 5 D CA -0.595 53.479 54.000 0.124 0.000 0.850 5 D CB -0.379 40.477 40.800 0.093 0.000 0.922 5 D HN 0.165 nan 8.370 nan 0.000 0.516 6 F N 2.260 122.246 119.950 0.060 0.000 2.608 6 F HA 0.064 4.591 4.527 0.000 0.000 0.380 6 F C 0.476 176.301 175.800 0.042 0.000 1.083 6 F CA 0.295 58.328 58.000 0.056 0.000 1.266 6 F CB 0.553 39.594 39.000 0.070 0.000 1.076 6 F HN -0.177 nan 8.300 nan 0.000 0.574 7 Q N 7.675 127.248 119.800 -0.378 0.000 2.271 7 Q HA 0.248 4.588 4.340 0.000 0.000 0.258 7 Q C -0.690 175.058 176.000 -0.422 0.000 0.936 7 Q CA -0.331 55.310 55.803 -0.270 0.000 0.909 7 Q CB 1.993 30.648 28.738 -0.137 0.000 1.253 7 Q HN 0.799 nan 8.270 nan 0.000 0.440 8 W N 1.146 122.137 121.300 -0.515 0.000 3.031 8 W HA 0.815 5.476 4.660 0.000 0.000 0.337 8 W C -0.994 175.161 176.519 -0.606 0.000 1.187 8 W CA -0.822 56.096 57.345 -0.712 0.000 1.166 8 W CB 1.067 29.868 29.460 -1.098 0.000 1.437 8 W HN 0.671 nan 8.180 nan 0.000 0.551 9 G N 0.766 109.216 108.800 -0.584 0.000 2.450 9 G HA2 0.578 4.538 3.960 0.000 0.000 0.273 9 G HA3 0.578 4.538 3.960 0.000 0.000 0.273 9 G C -2.558 172.122 174.900 -0.367 0.000 1.221 9 G CA -0.955 43.812 45.100 -0.555 0.000 0.900 9 G HN 0.419 nan 8.290 nan 0.000 0.483 10 F N 0.333 120.527 119.950 0.408 0.000 2.593 10 F HA 0.846 5.373 4.527 0.000 0.000 0.320 10 F C 0.537 176.630 175.800 0.488 0.000 1.060 10 F CA -0.355 57.902 58.000 0.428 0.000 0.940 10 F CB 2.553 41.742 39.000 0.315 0.000 1.268 10 F HN 0.735 nan 8.300 nan 0.000 0.475 11 A N 0.694 123.817 122.820 0.506 0.000 2.413 11 A HA 0.926 5.246 4.320 0.000 0.000 0.307 11 A C -0.601 177.022 177.584 0.065 0.000 1.087 11 A CA -0.390 51.817 52.037 0.284 0.000 0.750 11 A CB 1.539 20.772 19.000 0.388 0.000 1.296 11 A HN 0.859 nan 8.150 nan 0.000 0.423 12 T N -2.186 112.401 114.554 0.055 0.000 2.754 12 T HA 0.873 5.224 4.350 0.000 0.000 0.296 12 T C -0.537 174.242 174.700 0.131 0.000 1.205 12 T CA -0.151 61.906 62.100 -0.072 0.000 1.009 12 T CB 1.432 70.317 68.868 0.028 0.000 1.368 12 T HN 2.204 nan 8.240 nan 0.000 0.509 13 A N -0.347 122.484 122.820 0.018 0.000 2.475 13 A HA 0.901 5.221 4.320 0.000 0.000 0.301 13 A C 1.138 178.666 177.584 -0.092 0.000 1.059 13 A CA -0.384 51.502 52.037 -0.252 0.000 0.710 13 A CB 1.149 19.628 19.000 -0.868 0.000 1.288 13 A HN 1.569 nan 8.150 nan 0.000 0.408 14 A N 0.631 123.452 122.820 0.001 0.000 1.865 14 A HA -0.105 4.215 4.320 0.000 0.000 0.217 14 A C 1.811 179.421 177.584 0.045 0.000 1.191 14 A CA 2.257 54.357 52.037 0.106 0.000 0.623 14 A CB -0.974 18.158 19.000 0.220 0.000 0.826 14 A HN 1.341 nan 8.150 nan 0.000 0.444 15 Y N 0.756 121.007 120.300 -0.081 0.000 2.352 15 Y HA -0.143 4.407 4.550 0.000 0.000 0.292 15 Y C 2.454 178.178 175.900 -0.294 0.000 1.136 15 Y CA 1.901 59.911 58.100 -0.151 0.000 1.227 15 Y CB -0.190 38.217 38.460 -0.089 0.000 0.991 15 Y HN 0.477 nan 8.280 nan 0.000 0.545 16 Q N -0.468 119.117 119.800 -0.358 0.000 2.297 16 Q HA -0.036 4.305 4.340 0.000 0.000 0.204 16 Q C 1.841 177.721 176.000 -0.199 0.000 0.962 16 Q CA 1.750 57.321 55.803 -0.386 0.000 0.879 16 Q CB 0.076 28.576 28.738 -0.396 0.000 0.947 16 Q HN 0.760 nan 8.270 nan 0.000 0.462 17 I N -4.313 116.167 120.570 -0.150 0.000 4.433 17 I HA 0.161 4.332 4.170 0.000 0.000 0.322 17 I C 1.575 177.649 176.117 -0.072 0.000 1.284 17 I CA -0.008 61.251 61.300 -0.070 0.000 1.269 17 I CB 0.225 38.203 38.000 -0.037 0.000 1.219 17 I HN -0.141 nan 8.210 nan 0.000 0.436 18 E N 2.397 122.545 120.200 -0.087 0.000 2.072 18 E HA 0.123 4.473 4.350 0.000 0.000 0.191 18 E C 1.557 178.110 176.600 -0.079 0.000 0.985 18 E CA 1.015 57.392 56.400 -0.039 0.000 0.801 18 E CB -0.228 29.485 29.700 0.022 0.000 0.750 18 E HN 0.663 nan 8.360 nan 0.000 0.452 19 G N 0.742 109.438 108.800 -0.174 0.000 2.575 19 G HA2 -0.293 3.667 3.960 0.000 0.000 0.267 19 G HA3 -0.293 3.667 3.960 0.000 0.000 0.267 19 G C 0.416 175.199 174.900 -0.196 0.000 1.264 19 G CA 0.326 45.317 45.100 -0.182 0.000 0.935 19 G HN 1.018 nan 8.290 nan 0.000 0.568 20 A N -2.477 120.233 122.820 -0.183 0.000 2.640 20 A HA 0.103 4.423 4.320 0.000 0.000 0.300 20 A C 2.338 179.747 177.584 -0.293 0.000 1.499 20 A CA 2.546 54.422 52.037 -0.268 0.000 0.759 20 A CB -2.102 16.633 19.000 -0.442 0.000 1.048 20 A HN 2.643 nan 8.150 nan 0.000 0.450 21 V N -2.512 117.299 119.914 -0.172 0.000 2.970 21 V HA 0.004 4.124 4.120 0.000 0.000 0.260 21 V C 1.128 177.168 176.094 -0.091 0.000 1.100 21 V CA 2.197 64.437 62.300 -0.099 0.000 1.122 21 V CB -0.338 31.477 31.823 -0.013 0.000 0.721 21 V HN 0.994 nan 8.190 nan 0.000 0.483 22 D N -1.500 118.832 120.400 -0.113 0.000 2.563 22 D HA 0.151 4.791 4.640 0.000 0.000 0.237 22 D C 0.674 176.908 176.300 -0.111 0.000 1.282 22 D CA -0.237 53.710 54.000 -0.088 0.000 0.816 22 D CB -0.264 40.504 40.800 -0.053 0.000 1.066 22 D HN 0.579 nan 8.370 nan 0.000 0.501 23 Q N 0.823 120.512 119.800 -0.186 0.000 2.299 23 Q HA 0.188 4.528 4.340 0.000 0.000 0.246 23 Q C -0.378 175.518 176.000 -0.173 0.000 0.935 23 Q CA -0.162 55.533 55.803 -0.181 0.000 0.887 23 Q CB 0.509 29.101 28.738 -0.244 0.000 1.223 23 Q HN -0.065 nan 8.270 nan 0.000 0.439 24 D N 2.330 122.690 120.400 -0.067 0.000 2.751 24 D HA -0.220 4.421 4.640 0.000 0.000 0.233 24 D C 0.536 176.831 176.300 -0.007 0.000 1.149 24 D CA 1.582 55.577 54.000 -0.009 0.000 0.682 24 D CB -1.430 39.405 40.800 0.058 0.000 1.068 24 D HN 0.988 nan 8.370 nan 0.000 0.429 25 G N -0.250 108.538 108.800 -0.020 0.000 2.176 25 G HA2 -0.400 3.560 3.960 0.000 0.000 0.253 25 G HA3 -0.400 3.560 3.960 0.000 0.000 0.253 25 G C 0.384 175.283 174.900 -0.001 0.000 0.979 25 G CA 0.336 45.437 45.100 0.002 0.000 0.641 25 G HN 0.648 nan 8.290 nan 0.000 0.530 26 R N 0.977 121.455 120.500 -0.038 0.000 2.538 26 R HA 0.406 4.746 4.340 0.000 0.000 0.282 26 R C 1.120 177.412 176.300 -0.012 0.000 1.009 26 R CA 0.739 56.822 56.100 -0.027 0.000 1.063 26 R CB -0.059 30.189 30.300 -0.086 0.000 0.945 26 R HN 0.392 nan 8.270 nan 0.000 0.414 27 G N 4.684 113.488 108.800 0.007 0.000 2.504 27 G HA2 0.366 4.327 3.960 0.000 0.000 0.288 27 G HA3 0.366 4.327 3.960 0.000 0.000 0.288 27 G C -2.419 172.476 174.900 -0.008 0.000 1.182 27 G CA -1.311 43.787 45.100 -0.004 0.000 0.894 27 G HN 0.547 nan 8.290 nan 0.000 0.521 28 P HA 0.175 nan 4.420 nan 0.000 0.275 28 P C 0.089 177.365 177.300 -0.040 0.000 1.227 28 P CA -0.179 62.913 63.100 -0.015 0.000 0.781 28 P CB 1.507 33.196 31.700 -0.018 0.000 0.906 29 S N 1.950 117.627 115.700 -0.038 0.000 2.730 29 S HA 0.313 4.783 4.470 0.000 0.000 0.284 29 S C 1.605 176.148 174.600 -0.096 0.000 1.153 29 S CA -0.745 57.415 58.200 -0.068 0.000 0.995 29 S CB 0.274 63.448 63.200 -0.043 0.000 1.058 29 S HN 0.500 nan 8.310 nan 0.000 0.552 30 I N -2.864 117.625 120.570 -0.134 0.000 2.567 30 I HA 0.033 4.203 4.170 0.000 0.000 0.257 30 I C 1.671 177.616 176.117 -0.286 0.000 1.184 30 I CA 0.857 62.005 61.300 -0.253 0.000 1.451 30 I CB -0.410 37.355 38.000 -0.392 0.000 1.089 30 I HN 0.629 nan 8.210 nan 0.000 0.441 31 W N 2.225 123.378 121.300 -0.244 0.000 2.436 31 W HA -0.060 4.600 4.660 0.000 0.000 0.284 31 W C 1.998 178.383 176.519 -0.223 0.000 1.225 31 W CA 1.430 58.616 57.345 -0.266 0.000 1.271 31 W CB -0.234 28.913 29.460 -0.522 0.000 1.114 31 W HN 0.178 nan 8.180 nan 0.000 0.559 32 D N -1.063 119.305 120.400 -0.054 0.000 2.117 32 D HA -0.174 4.466 4.640 0.000 0.000 0.197 32 D C 2.091 178.423 176.300 0.053 0.000 0.987 32 D CA 2.181 56.217 54.000 0.060 0.000 0.829 32 D CB -0.558 40.273 40.800 0.052 0.000 0.961 32 D HN -0.029 nan 8.370 nan 0.000 0.460 33 T N 0.096 114.650 114.554 -0.001 0.000 2.701 33 T HA -0.154 4.197 4.350 0.000 0.000 0.263 33 T C 1.625 176.338 174.700 0.021 0.000 1.040 33 T CA 0.618 62.713 62.100 -0.009 0.000 1.147 33 T CB -0.545 68.291 68.868 -0.053 0.000 0.865 33 T HN 0.078 nan 8.240 nan 0.000 0.426 34 F N 1.629 121.458 119.950 -0.201 0.000 2.091 34 F HA -0.198 4.329 4.527 0.000 0.000 0.299 34 F C 2.471 178.238 175.800 -0.055 0.000 1.103 34 F CA 0.558 58.421 58.000 -0.229 0.000 1.228 34 F CB -0.804 37.876 39.000 -0.534 0.000 0.984 34 F HN 0.181 nan 8.300 nan 0.000 0.477 35 C N 0.048 119.427 119.300 0.132 0.000 2.419 35 C HA -0.044 4.417 4.460 0.000 0.000 0.283 35 C C 3.031 178.036 174.990 0.024 0.000 1.373 35 C CA 0.931 60.027 59.018 0.129 0.000 1.781 35 C CB -2.039 25.862 27.740 0.268 0.000 1.886 35 C HN 0.571 nan 8.230 nan 0.000 0.520 36 A N -0.551 122.271 122.820 0.003 0.000 2.119 36 A HA -0.003 4.317 4.320 0.000 0.000 0.216 36 A C 1.024 178.576 177.584 -0.052 0.000 1.152 36 A CA 0.869 52.898 52.037 -0.013 0.000 0.708 36 A CB -0.132 18.865 19.000 -0.004 0.000 0.805 36 A HN 0.620 nan 8.150 nan 0.000 0.460 37 Q N 1.080 120.813 119.800 -0.111 0.000 2.288 37 Q HA 0.314 4.654 4.340 0.000 0.000 0.254 37 Q C -2.565 173.342 176.000 -0.154 0.000 0.932 37 Q CA -2.416 53.301 55.803 -0.143 0.000 0.902 37 Q CB 0.290 28.906 28.738 -0.205 0.000 1.203 37 Q HN 0.281 nan 8.270 nan 0.000 0.415 38 P HA 0.051 nan 4.420 nan 0.000 0.271 38 P C 0.550 177.791 177.300 -0.098 0.000 1.216 38 P CA 0.449 63.502 63.100 -0.078 0.000 0.776 38 P CB 0.571 32.241 31.700 -0.049 0.000 0.881 39 G N 2.524 111.282 108.800 -0.071 0.000 2.162 39 G HA2 -0.254 3.706 3.960 0.000 0.000 0.260 39 G HA3 -0.254 3.706 3.960 0.000 0.000 0.260 39 G C 1.045 175.895 174.900 -0.083 0.000 0.976 39 G CA 0.160 45.225 45.100 -0.057 0.000 0.655 39 G HN 0.492 nan 8.290 nan 0.000 0.533 40 K N -0.472 119.820 120.400 -0.179 0.000 2.166 40 K HA 0.271 4.591 4.320 0.000 0.000 0.201 40 K C 1.180 177.768 176.600 -0.020 0.000 1.052 40 K CA 0.703 56.817 56.287 -0.289 0.000 0.969 40 K CB 0.361 32.278 32.500 -0.972 0.000 0.761 40 K HN 0.463 nan 8.250 nan 0.000 0.459 41 I N 0.746 121.345 120.570 0.048 0.000 2.378 41 I HA 0.209 4.379 4.170 0.000 0.000 0.291 41 I C 1.278 177.469 176.117 0.123 0.000 0.992 41 I CA -0.711 60.695 61.300 0.177 0.000 1.154 41 I CB 1.084 39.256 38.000 0.286 0.000 1.315 41 I HN -0.093 nan 8.210 nan 0.000 0.448 42 A N 5.227 128.121 122.820 0.124 0.000 1.940 42 A HA -0.191 4.129 4.320 0.000 0.000 0.219 42 A C 1.292 178.927 177.584 0.084 0.000 1.176 42 A CA 2.036 54.130 52.037 0.095 0.000 0.631 42 A CB -0.475 18.583 19.000 0.097 0.000 0.814 42 A HN 0.807 nan 8.150 nan 0.000 0.446 43 D N -2.349 118.111 120.400 0.100 0.000 2.368 43 D HA 0.306 4.946 4.640 0.000 0.000 0.218 43 D C 1.027 177.394 176.300 0.111 0.000 1.112 43 D CA 0.529 54.590 54.000 0.102 0.000 0.834 43 D CB -0.821 40.050 40.800 0.119 0.000 0.953 43 D HN 0.737 nan 8.370 nan 0.000 0.505 44 G N 0.597 109.463 108.800 0.111 0.000 2.225 44 G HA2 -0.294 3.666 3.960 0.000 0.000 0.267 44 G HA3 -0.294 3.666 3.960 0.000 0.000 0.267 44 G C 0.429 175.410 174.900 0.134 0.000 1.024 44 G CA 0.792 45.953 45.100 0.101 0.000 0.784 44 G HN 0.772 nan 8.290 nan 0.000 0.507 45 S N -1.162 114.667 115.700 0.214 0.000 2.719 45 S HA 0.912 5.382 4.470 0.000 0.000 0.285 45 S C 0.266 175.031 174.600 0.276 0.000 1.137 45 S CA 0.557 58.919 58.200 0.270 0.000 1.012 45 S CB 2.355 65.818 63.200 0.437 0.000 1.134 45 S HN 1.988 nan 8.310 nan 0.000 0.544 46 S N -1.759 114.018 115.700 0.128 0.000 2.688 46 S HA 0.647 5.117 4.470 0.000 0.000 0.275 46 S C 0.387 174.608 174.600 -0.632 0.000 1.175 46 S CA -0.475 57.602 58.200 -0.205 0.000 0.818 46 S CB 0.683 63.869 63.200 -0.023 0.000 1.157 46 S HN 1.328 nan 8.310 nan 0.000 0.482 47 G N 0.194 108.448 108.800 -0.910 0.000 3.279 47 G HA2 0.243 4.203 3.960 0.000 0.000 0.230 47 G HA3 0.243 4.203 3.960 0.000 0.000 0.230 47 G C 1.015 175.589 174.900 -0.543 0.000 1.230 47 G CA 0.408 44.843 45.100 -1.109 0.000 0.891 47 G HN 0.790 nan 8.290 nan 0.000 0.518 48 V N 0.519 120.273 119.914 -0.266 0.000 2.282 48 V HA -0.193 3.927 4.120 0.000 0.000 0.249 48 V C 2.670 178.668 176.094 -0.161 0.000 1.057 48 V CA 3.075 65.282 62.300 -0.156 0.000 1.032 48 V CB -0.057 31.714 31.823 -0.087 0.000 0.645 48 V HN 0.431 nan 8.190 nan 0.000 0.447 49 T N -1.862 112.597 114.554 -0.158 0.000 3.056 49 T HA 0.520 4.870 4.350 0.000 0.000 0.243 49 T C 1.209 175.831 174.700 -0.129 0.000 0.995 49 T CA 1.025 63.045 62.100 -0.134 0.000 1.091 49 T CB 0.366 69.162 68.868 -0.121 0.000 0.990 49 T HN 0.990 nan 8.240 nan 0.000 0.464 50 A N 0.876 123.617 122.820 -0.131 0.000 5.318 50 A HA -0.320 4.000 4.320 0.000 0.000 0.329 50 A C 1.750 179.360 177.584 0.042 0.000 1.789 50 A CA 1.752 53.782 52.037 -0.012 0.000 0.711 50 A CB -1.799 17.163 19.000 -0.063 0.000 1.398 50 A HN 0.638 nan 8.150 nan 0.000 0.392 51 C N -0.285 119.054 119.300 0.065 0.000 2.791 51 C HA 0.481 4.941 4.460 0.000 0.000 0.270 51 C C 1.006 175.985 174.990 -0.018 0.000 1.257 51 C CA 0.953 60.002 59.018 0.052 0.000 1.699 51 C CB -0.894 26.866 27.740 0.034 0.000 1.904 51 C HN 1.057 nan 8.230 nan 0.000 0.603 52 D N 0.649 121.029 120.400 -0.033 0.000 2.837 52 D HA -0.174 4.466 4.640 0.000 0.000 0.230 52 D C 1.183 177.469 176.300 -0.024 0.000 1.152 52 D CA 0.970 54.949 54.000 -0.034 0.000 0.736 52 D CB -1.132 39.645 40.800 -0.038 0.000 1.084 52 D HN 0.403 nan 8.370 nan 0.000 0.429 53 S N -1.347 114.335 115.700 -0.030 0.000 2.419 53 S HA -0.166 4.304 4.470 0.000 0.000 0.233 53 S C 1.401 175.968 174.600 -0.056 0.000 1.016 53 S CA 0.863 59.030 58.200 -0.056 0.000 0.974 53 S CB -0.300 62.860 63.200 -0.066 0.000 0.786 53 S HN 0.612 nan 8.310 nan 0.000 0.492 54 Y N 2.794 123.007 120.300 -0.144 0.000 2.241 54 Y HA -0.138 4.412 4.550 0.000 0.000 0.286 54 Y C 1.678 177.526 175.900 -0.087 0.000 1.166 54 Y CA 1.423 59.417 58.100 -0.176 0.000 1.203 54 Y CB -0.111 38.191 38.460 -0.264 0.000 0.977 54 Y HN 0.246 nan 8.280 nan 0.000 0.529 55 N N -0.120 118.592 118.700 0.019 0.000 2.236 55 N HA 0.094 4.834 4.740 0.000 0.000 0.196 55 N C -0.010 175.465 175.510 -0.059 0.000 1.114 55 N CA 0.352 53.392 53.050 -0.018 0.000 0.859 55 N CB 0.263 38.770 38.487 0.032 0.000 0.982 55 N HN 0.415 nan 8.380 nan 0.000 0.493 56 R N 0.150 120.603 120.500 -0.080 0.000 2.698 56 R HA 0.122 4.463 4.340 0.000 0.000 0.422 56 R C 1.184 177.425 176.300 -0.098 0.000 1.073 56 R CA 0.056 56.105 56.100 -0.086 0.000 1.054 56 R CB 0.144 30.394 30.300 -0.084 0.000 1.373 56 R HN 0.090 nan 8.270 nan 0.000 0.593 57 T N -1.896 112.592 114.554 -0.110 0.000 2.720 57 T HA -0.178 4.173 4.350 0.000 0.000 0.268 57 T C 2.113 176.812 174.700 -0.000 0.000 1.037 57 T CA 1.403 63.465 62.100 -0.064 0.000 1.144 57 T CB -0.010 68.825 68.868 -0.054 0.000 0.864 57 T HN 0.252 nan 8.240 nan 0.000 0.444 58 A N 1.581 124.378 122.820 -0.039 0.000 1.902 58 A HA -0.113 4.207 4.320 0.000 0.000 0.217 58 A C 2.369 179.912 177.584 -0.069 0.000 1.181 58 A CA 1.847 53.854 52.037 -0.051 0.000 0.623 58 A CB -0.864 18.102 19.000 -0.057 0.000 0.818 58 A HN 0.698 nan 8.150 nan 0.000 0.443 59 E N -0.363 119.790 120.200 -0.080 0.000 2.072 59 E HA -0.222 4.128 4.350 0.000 0.000 0.191 59 E C 1.254 177.785 176.600 -0.115 0.000 0.985 59 E CA 1.307 57.648 56.400 -0.099 0.000 0.801 59 E CB -0.117 29.519 29.700 -0.107 0.000 0.750 59 E HN 0.533 nan 8.360 nan 0.000 0.452 60 D N 0.420 120.752 120.400 -0.113 0.000 2.144 60 D HA -0.138 4.502 4.640 0.000 0.000 0.199 60 D C 1.955 178.145 176.300 -0.182 0.000 0.984 60 D CA 0.862 54.771 54.000 -0.152 0.000 0.834 60 D CB -0.136 40.578 40.800 -0.143 0.000 0.955 60 D HN 0.295 nan 8.370 nan 0.000 0.465 61 I N 0.785 121.279 120.570 -0.127 0.000 2.252 61 I HA -0.207 3.964 4.170 0.000 0.000 0.245 61 I C 2.367 178.401 176.117 -0.138 0.000 1.102 61 I CA 0.841 62.046 61.300 -0.158 0.000 1.385 61 I CB -0.172 37.743 38.000 -0.141 0.000 1.064 61 I HN -0.067 nan 8.210 nan 0.000 0.414 62 A N 0.685 123.437 122.820 -0.113 0.000 1.933 62 A HA -0.204 4.116 4.320 0.000 0.000 0.218 62 A C 2.233 179.758 177.584 -0.099 0.000 1.175 62 A CA 1.402 53.382 52.037 -0.095 0.000 0.628 62 A CB -0.658 18.292 19.000 -0.084 0.000 0.814 62 A HN 0.383 nan 8.150 nan 0.000 0.444 63 L N -0.258 120.889 121.223 -0.126 0.000 2.027 63 L HA -0.067 4.274 4.340 0.000 0.000 0.206 63 L C 2.255 179.044 176.870 -0.135 0.000 1.074 63 L CA 1.677 56.434 54.840 -0.138 0.000 0.745 63 L CB -0.587 41.365 42.059 -0.178 0.000 0.898 63 L HN 0.380 nan 8.230 nan 0.000 0.433 64 L N -0.231 120.893 121.223 -0.166 0.000 2.079 64 L HA -0.266 4.074 4.340 0.000 0.000 0.210 64 L C 2.695 179.536 176.870 -0.048 0.000 1.081 64 L CA 1.835 56.606 54.840 -0.114 0.000 0.752 64 L CB -0.664 41.286 42.059 -0.181 0.000 0.896 64 L HN 0.370 nan 8.230 nan 0.000 0.433 65 K N -0.556 119.805 120.400 -0.065 0.000 2.062 65 K HA -0.168 4.152 4.320 0.000 0.000 0.205 65 K C 2.387 178.988 176.600 0.002 0.000 1.051 65 K CA 1.397 57.662 56.287 -0.036 0.000 0.941 65 K CB -0.021 32.450 32.500 -0.049 0.000 0.719 65 K HN 0.111 nan 8.250 nan 0.000 0.440 66 S N 0.850 116.545 115.700 -0.008 0.000 2.383 66 S HA -0.089 4.381 4.470 0.000 0.000 0.229 66 S C 1.747 176.389 174.600 0.070 0.000 1.030 66 S CA 1.103 59.312 58.200 0.015 0.000 1.002 66 S CB -0.124 63.068 63.200 -0.014 0.000 0.829 66 S HN 0.371 nan 8.310 nan 0.000 0.467 67 L N 0.162 121.444 121.223 0.098 0.000 2.567 67 L HA 0.305 4.646 4.340 0.000 0.000 0.225 67 L C 1.640 178.729 176.870 0.365 0.000 1.119 67 L CA 0.398 55.379 54.840 0.234 0.000 0.871 67 L CB -0.333 41.874 42.059 0.246 0.000 1.036 67 L HN 0.524 nan 8.230 nan 0.000 0.459 68 G N 0.673 109.599 108.800 0.211 0.000 2.137 68 G HA2 -0.258 3.702 3.960 0.000 0.000 0.237 68 G HA3 -0.258 3.702 3.960 0.000 0.000 0.237 68 G C 0.394 175.241 174.900 -0.088 0.000 1.002 68 G CA 0.012 45.218 45.100 0.176 0.000 0.702 68 G HN 0.488 nan 8.290 nan 0.000 0.515 69 A N -0.427 122.247 122.820 -0.244 0.000 2.498 69 A HA 0.595 4.916 4.320 0.000 0.000 0.239 69 A C 1.320 178.542 177.584 -0.603 0.000 1.068 69 A CA 1.179 52.774 52.037 -0.738 0.000 0.766 69 A CB 0.308 19.194 19.000 -0.191 0.000 1.003 69 A HN 0.478 nan 8.150 nan 0.000 0.497 70 K N 0.762 120.645 120.400 -0.861 0.000 2.211 70 K HA 0.130 4.450 4.320 0.000 0.000 0.201 70 K C 0.058 176.509 176.600 -0.248 0.000 1.052 70 K CA 0.894 56.903 56.287 -0.463 0.000 0.973 70 K CB 0.180 32.403 32.500 -0.463 0.000 0.766 70 K HN 0.582 nan 8.250 nan 0.000 0.466 71 S N -0.638 114.929 115.700 -0.220 0.000 2.618 71 S HA 0.419 4.889 4.470 0.000 0.000 0.277 71 S C -1.959 172.840 174.600 0.332 0.000 1.138 71 S CA -0.786 57.466 58.200 0.086 0.000 0.844 71 S CB 1.561 64.884 63.200 0.205 0.000 1.127 71 S HN 0.181 nan 8.310 nan 0.000 0.474 72 Y N 1.693 122.180 120.300 0.311 0.000 2.386 72 Y HA 0.558 5.109 4.550 0.000 0.000 0.334 72 Y C -0.710 175.417 175.900 0.377 0.000 1.002 72 Y CA -0.774 57.549 58.100 0.371 0.000 1.068 72 Y CB 1.077 39.702 38.460 0.275 0.000 1.203 72 Y HN 0.673 nan 8.280 nan 0.000 0.443 73 R N 7.295 127.688 120.500 -0.178 0.000 2.255 73 R HA 0.601 4.941 4.340 0.000 0.000 0.326 73 R C -1.757 174.249 176.300 -0.490 0.000 0.986 73 R CA -0.356 55.463 56.100 -0.468 0.000 0.847 73 R CB 0.507 30.298 30.300 -0.849 0.000 1.111 73 R HN 0.662 nan 8.270 nan 0.000 0.452 74 F N 0.348 120.015 119.950 -0.471 0.000 2.685 74 F HA 0.592 5.119 4.527 0.000 0.000 0.315 74 F C -1.178 174.562 175.800 -0.099 0.000 1.126 74 F CA -1.061 56.749 58.000 -0.316 0.000 0.950 74 F CB 1.340 40.160 39.000 -0.300 0.000 1.360 74 F HN 0.402 nan 8.300 nan 0.000 0.469 75 S N 1.555 117.306 115.700 0.085 0.000 2.648 75 S HA 0.787 5.257 4.470 0.000 0.000 0.305 75 S C -1.189 173.465 174.600 0.091 0.000 1.094 75 S CA -0.778 57.429 58.200 0.011 0.000 0.983 75 S CB 1.694 64.947 63.200 0.087 0.000 1.101 75 S HN 0.667 nan 8.310 nan 0.000 0.514 76 I N 2.421 122.972 120.570 -0.033 0.000 2.353 76 I HA 0.340 4.510 4.170 0.000 0.000 0.293 76 I C 0.633 176.840 176.117 0.150 0.000 0.992 76 I CA -0.333 60.858 61.300 -0.182 0.000 1.268 76 I CB 1.319 39.188 38.000 -0.219 0.000 1.387 76 I HN 0.846 nan 8.210 nan 0.000 0.478 77 S N 6.489 122.353 115.700 0.274 0.000 2.414 77 S HA 0.020 4.490 4.470 0.000 0.000 0.290 77 S C 0.954 175.764 174.600 0.349 0.000 1.160 77 S CA -0.430 57.961 58.200 0.318 0.000 1.069 77 S CB 0.007 63.403 63.200 0.326 0.000 1.012 77 S HN 0.628 nan 8.310 nan 0.000 0.510 78 W N 4.982 126.293 121.300 0.020 0.000 2.321 78 W HA -0.185 4.475 4.660 0.000 0.000 0.306 78 W C 2.136 178.583 176.519 -0.119 0.000 1.217 78 W CA 2.048 59.207 57.345 -0.309 0.000 1.257 78 W CB -1.257 27.839 29.460 -0.607 0.000 1.145 78 W HN 0.845 nan 8.180 nan 0.000 0.509 79 S N 0.197 116.014 115.700 0.195 0.000 2.603 79 S HA -0.042 4.428 4.470 0.000 0.000 0.229 79 S C 1.730 176.414 174.600 0.140 0.000 0.972 79 S CA 0.657 58.916 58.200 0.098 0.000 0.935 79 S CB -0.423 62.776 63.200 -0.002 0.000 0.769 79 S HN 0.363 nan 8.310 nan 0.000 0.536 80 R N -0.003 120.625 120.500 0.214 0.000 2.200 80 R HA 0.237 4.578 4.340 0.000 0.000 0.208 80 R C 1.379 177.834 176.300 0.258 0.000 1.033 80 R CA 0.632 56.862 56.100 0.216 0.000 1.000 80 R CB -0.109 30.373 30.300 0.304 0.000 0.906 80 R HN 0.419 nan 8.270 nan 0.000 0.462 81 I N 0.342 121.096 120.570 0.308 0.000 2.556 81 I HA 0.063 4.233 4.170 0.000 0.000 0.251 81 I C 0.989 177.255 176.117 0.248 0.000 1.105 81 I CA 1.010 62.490 61.300 0.301 0.000 1.436 81 I CB 0.026 38.245 38.000 0.365 0.000 1.139 81 I HN -0.035 nan 8.210 nan 0.000 0.438 82 I N 1.595 122.335 120.570 0.282 0.000 2.542 82 I HA 0.193 4.364 4.170 0.000 0.000 0.278 82 I C -1.899 174.317 176.117 0.165 0.000 1.069 82 I CA -1.318 60.124 61.300 0.236 0.000 1.100 82 I CB 2.015 40.209 38.000 0.323 0.000 1.204 82 I HN -0.199 nan 8.210 nan 0.000 0.470 83 P HA -0.184 nan 4.420 nan 0.000 0.216 83 P C 1.331 178.628 177.300 -0.004 0.000 1.150 83 P CA 1.297 64.426 63.100 0.048 0.000 0.843 83 P CB 0.462 32.187 31.700 0.041 0.000 0.787 84 E N -1.997 118.209 120.200 0.010 0.000 2.299 84 E HA 0.088 4.438 4.350 0.000 0.000 0.193 84 E C 1.495 178.059 176.600 -0.059 0.000 0.998 84 E CA 1.054 57.441 56.400 -0.023 0.000 0.851 84 E CB -0.570 29.136 29.700 0.010 0.000 0.795 84 E HN 0.166 nan 8.360 nan 0.000 0.492 85 G N -0.916 107.883 108.800 -0.001 0.000 2.279 85 G HA2 -0.215 3.745 3.960 0.000 0.000 0.223 85 G HA3 -0.215 3.745 3.960 0.000 0.000 0.223 85 G C 0.608 175.690 174.900 0.302 0.000 1.015 85 G CA 0.005 45.094 45.100 -0.018 0.000 0.621 85 G HN 0.603 nan 8.290 nan 0.000 0.506 86 G N -0.200 108.731 108.800 0.220 0.000 2.528 86 G HA2 0.551 4.511 3.960 0.000 0.000 0.289 86 G HA3 0.551 4.511 3.960 0.000 0.000 0.289 86 G C 0.996 176.032 174.900 0.226 0.000 1.192 86 G CA 0.327 45.589 45.100 0.269 0.000 0.921 86 G HN 0.811 nan 8.290 nan 0.000 0.512 87 R N -0.437 120.182 120.500 0.198 0.000 2.237 87 R HA 0.016 4.356 4.340 0.000 0.000 0.219 87 R C 1.483 177.846 176.300 0.106 0.000 1.080 87 R CA 1.169 57.350 56.100 0.134 0.000 0.995 87 R CB -0.040 30.321 30.300 0.102 0.000 0.875 87 R HN 0.455 nan 8.270 nan 0.000 0.462 88 G N 0.579 109.446 108.800 0.111 0.000 3.233 88 G HA2 0.051 4.011 3.960 0.000 0.000 0.234 88 G HA3 0.051 4.011 3.960 0.000 0.000 0.234 88 G C -0.517 174.434 174.900 0.085 0.000 1.137 88 G CA -0.355 44.797 45.100 0.087 0.000 0.763 88 G HN 0.193 nan 8.290 nan 0.000 0.549 89 D N 0.672 121.133 120.400 0.101 0.000 2.277 89 D HA 0.501 5.142 4.640 0.000 0.000 0.250 89 D C 0.411 176.765 176.300 0.089 0.000 1.032 89 D CA -0.253 53.802 54.000 0.091 0.000 0.947 89 D CB 1.849 42.707 40.800 0.097 0.000 1.159 89 D HN 0.108 nan 8.370 nan 0.000 0.460 90 A N 0.976 123.841 122.820 0.076 0.000 2.511 90 A HA 0.240 4.560 4.320 0.000 0.000 0.242 90 A C 0.223 177.862 177.584 0.091 0.000 1.069 90 A CA -0.235 51.846 52.037 0.074 0.000 0.763 90 A CB 0.179 19.215 19.000 0.060 0.000 1.001 90 A HN 0.334 nan 8.150 nan 0.000 0.498 91 V N 2.945 122.914 119.914 0.091 0.000 2.546 91 V HA 0.119 4.239 4.120 0.000 0.000 0.284 91 V C 0.558 176.713 176.094 0.102 0.000 1.050 91 V CA -0.415 61.950 62.300 0.107 0.000 0.981 91 V CB 1.272 33.154 31.823 0.099 0.000 0.990 91 V HN 0.927 nan 8.190 nan 0.000 0.474 92 N N 2.861 121.632 118.700 0.120 0.000 2.558 92 N HA 0.163 4.903 4.740 0.000 0.000 0.233 92 N C 0.789 176.372 175.510 0.123 0.000 1.038 92 N CA -0.233 52.884 53.050 0.111 0.000 0.934 92 N CB 1.190 39.746 38.487 0.115 0.000 1.175 92 N HN 0.631 nan 8.380 nan 0.000 0.512 93 Q N 3.587 123.448 119.800 0.102 0.000 2.181 93 Q HA -0.071 4.269 4.340 0.000 0.000 0.205 93 Q C 1.546 177.616 176.000 0.117 0.000 0.980 93 Q CA 2.063 57.928 55.803 0.104 0.000 0.862 93 Q CB -0.232 28.555 28.738 0.082 0.000 0.905 93 Q HN 0.726 nan 8.270 nan 0.000 0.429 94 A N -0.545 122.340 122.820 0.109 0.000 1.933 94 A HA -0.055 4.266 4.320 0.000 0.000 0.218 94 A C 2.256 179.936 177.584 0.159 0.000 1.175 94 A CA 1.623 53.730 52.037 0.117 0.000 0.628 94 A CB -1.245 17.814 19.000 0.097 0.000 0.814 94 A HN 0.540 nan 8.150 nan 0.000 0.444 95 G N -0.088 108.818 108.800 0.177 0.000 2.402 95 G HA2 -0.130 3.830 3.960 0.000 0.000 0.216 95 G HA3 -0.130 3.830 3.960 0.000 0.000 0.216 95 G C 1.520 176.610 174.900 0.316 0.000 1.162 95 G CA 1.014 46.256 45.100 0.236 0.000 0.777 95 G HN 0.469 nan 8.290 nan 0.000 0.539 96 I N 1.179 121.915 120.570 0.275 0.000 2.226 96 I HA -0.141 4.029 4.170 0.000 0.000 0.245 96 I C 2.186 178.448 176.117 0.241 0.000 1.100 96 I CA 1.183 62.652 61.300 0.282 0.000 1.374 96 I CB -0.185 37.932 38.000 0.196 0.000 1.057 96 I HN 0.044 nan 8.210 nan 0.000 0.413 97 D N -0.355 120.150 120.400 0.175 0.000 2.144 97 D HA -0.236 4.404 4.640 0.000 0.000 0.199 97 D C 1.944 178.301 176.300 0.095 0.000 0.984 97 D CA 1.414 55.487 54.000 0.122 0.000 0.834 97 D CB -0.463 40.393 40.800 0.093 0.000 0.955 97 D HN 0.467 nan 8.370 nan 0.000 0.465 98 H N -0.522 118.539 119.070 -0.014 0.000 2.319 98 H HA -0.176 4.380 4.556 0.000 0.000 0.299 98 H C 1.644 176.896 175.328 -0.127 0.000 1.092 98 H CA 1.730 57.670 56.048 -0.180 0.000 1.302 98 H CB -0.268 29.271 29.762 -0.372 0.000 1.373 98 H HN 0.120 nan 8.280 nan 0.000 0.497 99 Y N -0.719 119.670 120.300 0.148 0.000 2.314 99 Y HA -0.087 4.463 4.550 0.000 0.000 0.293 99 Y C 2.721 178.707 175.900 0.143 0.000 1.129 99 Y CA 0.924 59.132 58.100 0.179 0.000 1.201 99 Y CB -0.430 38.223 38.460 0.321 0.000 0.999 99 Y HN 0.103 nan 8.280 nan 0.000 0.541 100 V N 0.436 120.496 119.914 0.244 0.000 2.287 100 V HA -0.340 3.780 4.120 0.000 0.000 0.248 100 V C 2.427 178.565 176.094 0.075 0.000 1.053 100 V CA 2.295 64.686 62.300 0.152 0.000 1.027 100 V CB -0.560 31.337 31.823 0.123 0.000 0.646 100 V HN 0.325 nan 8.190 nan 0.000 0.447 101 K N -0.652 119.759 120.400 0.019 0.000 2.057 101 K HA -0.228 4.093 4.320 0.000 0.000 0.207 101 K C 2.146 178.723 176.600 -0.039 0.000 1.049 101 K CA 1.865 58.131 56.287 -0.035 0.000 0.931 101 K CB -0.325 32.125 32.500 -0.083 0.000 0.714 101 K HN 0.348 nan 8.250 nan 0.000 0.440 102 F N 1.210 121.020 119.950 -0.234 0.000 2.102 102 F HA -0.188 4.340 4.527 0.000 0.000 0.298 102 F C 1.839 177.573 175.800 -0.110 0.000 1.105 102 F CA 1.209 59.062 58.000 -0.244 0.000 1.239 102 F CB -0.466 38.327 39.000 -0.345 0.000 0.991 102 F HN -0.186 nan 8.300 nan 0.000 0.474 103 V N 0.256 120.127 119.914 -0.072 0.000 2.407 103 V HA -0.296 3.825 4.120 0.000 0.000 0.248 103 V C 2.133 178.143 176.094 -0.139 0.000 1.055 103 V CA 2.234 64.473 62.300 -0.102 0.000 1.049 103 V CB -0.725 31.138 31.823 0.068 0.000 0.662 103 V HN 0.322 nan 8.190 nan 0.000 0.455 104 D N 0.105 120.451 120.400 -0.089 0.000 2.097 104 D HA -0.187 4.453 4.640 0.000 0.000 0.195 104 D C 1.797 178.022 176.300 -0.125 0.000 0.989 104 D CA 1.430 55.382 54.000 -0.079 0.000 0.827 104 D CB -0.135 40.638 40.800 -0.045 0.000 0.966 104 D HN 0.402 nan 8.370 nan 0.000 0.456 105 D N -0.405 119.892 120.400 -0.172 0.000 2.144 105 D HA -0.092 4.548 4.640 0.000 0.000 0.200 105 D C 2.273 178.423 176.300 -0.251 0.000 0.978 105 D CA 0.384 54.270 54.000 -0.191 0.000 0.833 105 D CB -0.253 40.439 40.800 -0.180 0.000 0.961 105 D HN 0.301 nan 8.370 nan 0.000 0.470 106 L N 0.172 121.168 121.223 -0.379 0.000 2.017 106 L HA -0.127 4.213 4.340 0.000 0.000 0.208 106 L C 2.508 179.268 176.870 -0.185 0.000 1.073 106 L CA 0.738 55.376 54.840 -0.335 0.000 0.745 106 L CB -0.286 41.527 42.059 -0.410 0.000 0.894 106 L HN 0.040 nan 8.230 nan 0.000 0.432 107 L N -0.693 120.440 121.223 -0.151 0.000 2.141 107 L HA -0.207 4.134 4.340 0.000 0.000 0.209 107 L C 2.030 178.849 176.870 -0.085 0.000 1.094 107 L CA 0.845 55.626 54.840 -0.099 0.000 0.763 107 L CB -0.534 41.478 42.059 -0.078 0.000 0.908 107 L HN 0.263 nan 8.230 nan 0.000 0.437 108 D N 0.222 120.567 120.400 -0.092 0.000 2.219 108 D HA -0.101 4.540 4.640 0.000 0.000 0.205 108 D C 2.041 178.296 176.300 -0.074 0.000 0.970 108 D CA 1.204 55.160 54.000 -0.074 0.000 0.851 108 D CB 0.143 40.900 40.800 -0.072 0.000 0.943 108 D HN 0.282 nan 8.370 nan 0.000 0.488 109 A N -0.368 122.396 122.820 -0.094 0.000 2.208 109 A HA 0.385 4.705 4.320 0.000 0.000 0.209 109 A C 1.747 179.286 177.584 -0.074 0.000 1.161 109 A CA 0.998 52.982 52.037 -0.087 0.000 0.782 109 A CB -0.218 18.715 19.000 -0.113 0.000 0.816 109 A HN 0.221 nan 8.150 nan 0.000 0.477 110 G N -0.845 107.913 108.800 -0.071 0.000 2.147 110 G HA2 -0.226 3.734 3.960 0.000 0.000 0.244 110 G HA3 -0.226 3.734 3.960 0.000 0.000 0.244 110 G C -0.001 174.859 174.900 -0.066 0.000 1.005 110 G CA 0.427 45.492 45.100 -0.059 0.000 0.713 110 G HN 0.489 nan 8.290 nan 0.000 0.515 111 I N 1.245 121.770 120.570 -0.075 0.000 2.377 111 I HA 0.336 4.506 4.170 0.000 0.000 0.293 111 I C 0.513 176.607 176.117 -0.039 0.000 0.987 111 I CA -0.696 60.566 61.300 -0.063 0.000 1.185 111 I CB 1.779 39.740 38.000 -0.065 0.000 1.341 111 I HN 0.006 nan 8.210 nan 0.000 0.455 112 T N 7.571 122.114 114.554 -0.018 0.000 2.780 112 T HA 0.259 4.609 4.350 0.000 0.000 0.294 112 T C -2.399 172.329 174.700 0.046 0.000 0.949 112 T CA -1.139 60.949 62.100 -0.019 0.000 1.074 112 T CB 0.589 69.434 68.868 -0.039 0.000 0.910 112 T HN 0.332 nan 8.240 nan 0.000 0.501 113 P HA 0.329 nan 4.420 nan 0.000 0.280 113 P C -1.078 176.132 177.300 -0.151 0.000 1.244 113 P CA -0.455 62.680 63.100 0.058 0.000 0.784 113 P CB 0.458 32.186 31.700 0.047 0.000 0.913 114 F N 3.635 123.408 119.950 -0.296 0.000 2.434 114 F HA 0.453 4.980 4.527 0.000 0.000 0.355 114 F C -0.122 175.283 175.800 -0.658 0.000 1.115 114 F CA -0.904 56.807 58.000 -0.481 0.000 1.010 114 F CB 0.793 39.488 39.000 -0.507 0.000 1.234 114 F HN 0.093 nan 8.300 nan 0.000 0.439 115 I N 4.743 125.018 120.570 -0.493 0.000 2.339 115 I HA 0.253 4.424 4.170 0.000 0.000 0.290 115 I C -0.192 175.785 176.117 -0.232 0.000 0.994 115 I CA -0.499 60.406 61.300 -0.659 0.000 1.191 115 I CB 1.779 39.263 38.000 -0.860 0.000 1.343 115 I HN 0.411 nan 8.210 nan 0.000 0.458 116 T N 6.974 121.408 114.554 -0.201 0.000 2.771 116 T HA 0.325 4.675 4.350 0.000 0.000 0.291 116 T C 1.275 176.004 174.700 0.048 0.000 0.954 116 T CA -0.369 61.736 62.100 0.008 0.000 1.045 116 T CB 1.422 70.333 68.868 0.072 0.000 0.917 116 T HN 0.425 nan 8.240 nan 0.000 0.484 117 L N 1.938 123.227 121.223 0.111 0.000 2.162 117 L HA 0.304 4.644 4.340 0.000 0.000 0.205 117 L C 0.489 177.586 176.870 0.379 0.000 1.086 117 L CA 0.845 55.747 54.840 0.103 0.000 0.778 117 L CB 0.099 42.083 42.059 -0.125 0.000 0.928 117 L HN 0.529 nan 8.230 nan 0.000 0.446 118 F N -0.745 119.294 119.950 0.148 0.000 2.500 118 F HA 0.300 4.828 4.527 0.000 0.000 0.349 118 F C -0.034 175.891 175.800 0.209 0.000 1.127 118 F CA -0.713 57.417 58.000 0.217 0.000 0.998 118 F CB 0.691 39.646 39.000 -0.075 0.000 1.237 118 F HN -0.099 nan 8.300 nan 0.000 0.439 119 H N 6.585 125.550 119.070 -0.175 0.000 2.412 119 H HA 0.213 4.770 4.556 0.000 0.000 0.239 119 H C -0.605 174.498 175.328 -0.373 0.000 1.388 119 H CA -0.076 55.824 56.048 -0.247 0.000 1.148 119 H CB 0.031 29.683 29.762 -0.183 0.000 1.637 119 H HN 0.776 nan 8.280 nan 0.000 0.542 120 W N -0.296 120.635 121.300 -0.614 0.000 1.446 120 W HA -0.254 4.406 4.660 0.000 0.000 0.238 120 W C -0.025 176.296 176.519 -0.330 0.000 0.976 120 W CA 0.864 57.937 57.345 -0.452 0.000 0.404 120 W CB -2.087 27.166 29.460 -0.345 0.000 1.980 120 W HN 0.587 nan 8.180 nan 0.000 1.274 121 D N 1.489 121.776 120.400 -0.189 0.000 2.845 121 D HA 0.363 5.004 4.640 0.000 0.000 0.235 121 D C 0.391 176.666 176.300 -0.041 0.000 1.158 121 D CA -0.248 53.751 54.000 -0.002 0.000 0.990 121 D CB -0.679 40.157 40.800 0.060 0.000 1.094 121 D HN 0.120 nan 8.370 nan 0.000 0.486 122 L N 0.909 122.161 121.223 0.049 0.000 2.559 122 L HA 0.194 4.534 4.340 0.000 0.000 0.274 122 L C -2.340 174.438 176.870 -0.155 0.000 1.205 122 L CA -1.104 53.800 54.840 0.107 0.000 0.907 122 L CB 0.156 42.345 42.059 0.216 0.000 1.153 122 L HN -0.020 nan 8.230 nan 0.000 0.490 123 P HA -0.015 nan 4.420 nan 0.000 0.264 123 P C 0.028 177.194 177.300 -0.222 0.000 1.193 123 P CA 0.146 63.040 63.100 -0.343 0.000 0.763 123 P CB 0.670 32.037 31.700 -0.555 0.000 0.810 124 E N 3.444 123.559 120.200 -0.141 0.000 2.209 124 E HA -0.159 4.192 4.350 0.000 0.000 0.196 124 E C 2.132 178.685 176.600 -0.079 0.000 0.993 124 E CA 2.134 58.481 56.400 -0.089 0.000 0.819 124 E CB -1.030 28.630 29.700 -0.067 0.000 0.745 124 E HN 0.581 nan 8.360 nan 0.000 0.477 125 G N 0.393 109.123 108.800 -0.116 0.000 2.422 125 G HA2 -0.219 3.741 3.960 0.000 0.000 0.218 125 G HA3 -0.219 3.741 3.960 0.000 0.000 0.218 125 G C 1.511 176.291 174.900 -0.199 0.000 1.146 125 G CA 0.930 45.958 45.100 -0.120 0.000 0.769 125 G HN 0.324 nan 8.290 nan 0.000 0.547 126 L N -0.781 120.279 121.223 -0.271 0.000 2.179 126 L HA 0.052 4.392 4.340 0.000 0.000 0.208 126 L C 2.550 179.090 176.870 -0.550 0.000 1.096 126 L CA 1.016 55.548 54.840 -0.514 0.000 0.779 126 L CB -0.453 41.387 42.059 -0.366 0.000 0.922 126 L HN 0.259 nan 8.230 nan 0.000 0.443 127 H N 0.146 119.020 119.070 -0.327 0.000 2.353 127 H HA -0.156 4.400 4.556 0.000 0.000 0.300 127 H C 2.348 177.566 175.328 -0.184 0.000 1.090 127 H CA 1.639 57.559 56.048 -0.212 0.000 1.327 127 H CB 0.262 29.936 29.762 -0.146 0.000 1.383 127 H HN 0.166 nan 8.280 nan 0.000 0.508 128 Q N 0.248 119.942 119.800 -0.176 0.000 2.083 128 Q HA -0.111 4.229 4.340 0.000 0.000 0.198 128 Q C 2.531 178.422 176.000 -0.182 0.000 0.969 128 Q CA 1.246 56.947 55.803 -0.170 0.000 0.838 128 Q CB -0.319 28.372 28.738 -0.077 0.000 0.900 128 Q HN 0.497 nan 8.270 nan 0.000 0.436 129 R N 0.159 120.524 120.500 -0.225 0.000 2.073 129 R HA -0.170 4.171 4.340 0.000 0.000 0.234 129 R C 1.089 177.362 176.300 -0.045 0.000 1.134 129 R CA 1.865 57.876 56.100 -0.148 0.000 0.952 129 R CB 0.095 30.297 30.300 -0.164 0.000 0.850 129 R HN 0.450 nan 8.270 nan 0.000 0.433 130 Y N -4.690 115.593 120.300 -0.027 0.000 2.825 130 Y HA 0.454 5.004 4.550 0.000 0.000 0.259 130 Y C 0.453 176.325 175.900 -0.048 0.000 1.113 130 Y CA -0.211 57.878 58.100 -0.019 0.000 1.241 130 Y CB 0.681 39.157 38.460 0.027 0.000 1.331 130 Y HN 0.150 nan 8.280 nan 0.000 0.570 131 G N 0.503 109.257 108.800 -0.076 0.000 2.141 131 G HA2 0.010 3.970 3.960 0.000 0.000 0.242 131 G HA3 0.010 3.970 3.960 0.000 0.000 0.242 131 G C 1.206 176.113 174.900 0.012 0.000 0.982 131 G CA 0.266 45.301 45.100 -0.108 0.000 0.662 131 G HN 1.551 nan 8.290 nan 0.000 0.527 132 G N 0.131 108.929 108.800 -0.004 0.000 2.665 132 G HA2 -0.354 3.606 3.960 0.000 0.000 0.326 132 G HA3 -0.354 3.606 3.960 0.000 0.000 0.326 132 G C 1.284 176.255 174.900 0.119 0.000 1.231 132 G CA 1.140 46.296 45.100 0.093 0.000 0.992 132 G HN 1.302 nan 8.290 nan 0.000 0.549 133 L N 0.910 122.036 121.223 -0.162 0.000 2.456 133 L HA 0.118 4.458 4.340 0.000 0.000 0.224 133 L C 2.736 179.412 176.870 -0.323 0.000 1.148 133 L CA 0.479 54.998 54.840 -0.535 0.000 0.825 133 L CB -0.370 41.366 42.059 -0.539 0.000 0.937 133 L HN 0.398 nan 8.230 nan 0.000 0.450 134 L N -0.892 120.238 121.223 -0.155 0.000 2.395 134 L HA -0.025 4.315 4.340 0.000 0.000 0.218 134 L C 1.058 177.923 176.870 -0.008 0.000 1.130 134 L CA 0.226 54.994 54.840 -0.120 0.000 0.826 134 L CB -0.283 41.738 42.059 -0.063 0.000 0.941 134 L HN 0.261 nan 8.230 nan 0.000 0.451 135 N N 0.644 119.396 118.700 0.087 0.000 2.439 135 N HA 0.055 4.795 4.740 0.000 0.000 0.249 135 N C 0.830 176.388 175.510 0.080 0.000 1.003 135 N CA 0.064 53.161 53.050 0.079 0.000 0.942 135 N CB 1.252 39.783 38.487 0.073 0.000 1.115 135 N HN 0.054 nan 8.380 nan 0.000 0.505 136 R N 1.978 122.510 120.500 0.054 0.000 2.148 136 R HA -0.024 4.317 4.340 0.000 0.000 0.223 136 R C 0.906 177.242 176.300 0.060 0.000 1.088 136 R CA 1.435 57.584 56.100 0.082 0.000 0.985 136 R CB 0.361 30.704 30.300 0.072 0.000 0.880 136 R HN 0.488 nan 8.270 nan 0.000 0.451 137 T N 0.253 114.809 114.554 0.003 0.000 2.866 137 T HA 0.020 4.371 4.350 0.000 0.000 0.250 137 T C 1.301 175.955 174.700 -0.078 0.000 1.033 137 T CA 0.630 62.714 62.100 -0.027 0.000 1.145 137 T CB 0.069 68.912 68.868 -0.043 0.000 0.866 137 T HN 0.170 nan 8.240 nan 0.000 0.434 138 E N 0.763 120.834 120.200 -0.215 0.000 2.122 138 E HA 0.089 4.439 4.350 0.000 0.000 0.190 138 E C 1.861 178.334 176.600 -0.211 0.000 0.977 138 E CA 0.451 56.600 56.400 -0.419 0.000 0.820 138 E CB -0.429 28.548 29.700 -1.205 0.000 0.770 138 E HN 0.416 nan 8.360 nan 0.000 0.462 139 F N 2.400 122.262 119.950 -0.146 0.000 2.102 139 F HA -0.066 4.461 4.527 0.000 0.000 0.298 139 F C -0.927 175.016 175.800 0.239 0.000 1.105 139 F CA 0.989 59.098 58.000 0.181 0.000 1.239 139 F CB -1.094 38.036 39.000 0.216 0.000 0.991 139 F HN 0.023 nan 8.300 nan 0.000 0.474 140 P HA -0.130 nan 4.420 nan 0.000 0.218 140 P C 2.043 179.326 177.300 -0.027 0.000 1.149 140 P CA 1.588 64.658 63.100 -0.050 0.000 0.817 140 P CB -0.112 31.624 31.700 0.060 0.000 0.785 141 L N -0.611 120.605 121.223 -0.011 0.000 2.056 141 L HA -0.157 4.183 4.340 0.000 0.000 0.207 141 L C 1.948 178.834 176.870 0.028 0.000 1.078 141 L CA 1.502 56.345 54.840 0.005 0.000 0.749 141 L CB -0.968 41.092 42.059 0.003 0.000 0.901 141 L HN -0.046 nan 8.230 nan 0.000 0.433 142 D N -0.465 119.988 120.400 0.089 0.000 2.183 142 D HA -0.165 4.475 4.640 0.000 0.000 0.203 142 D C 1.908 178.320 176.300 0.187 0.000 0.969 142 D CA 0.953 55.089 54.000 0.227 0.000 0.842 142 D CB -0.072 40.999 40.800 0.451 0.000 0.957 142 D HN 0.156 nan 8.370 nan 0.000 0.484 143 F N 1.957 121.814 119.950 -0.155 0.000 2.102 143 F HA -0.122 4.405 4.527 0.000 0.000 0.298 143 F C 2.280 177.890 175.800 -0.318 0.000 1.105 143 F CA 1.430 59.218 58.000 -0.353 0.000 1.239 143 F CB -0.102 38.591 39.000 -0.513 0.000 0.991 143 F HN -0.105 nan 8.300 nan 0.000 0.474 144 E N -0.053 120.009 120.200 -0.229 0.000 2.085 144 E HA -0.323 4.027 4.350 0.000 0.000 0.194 144 E C 2.058 178.449 176.600 -0.348 0.000 0.994 144 E CA 1.531 57.757 56.400 -0.289 0.000 0.801 144 E CB -0.410 29.233 29.700 -0.095 0.000 0.743 144 E HN 0.493 nan 8.360 nan 0.000 0.453 145 N N -0.369 118.203 118.700 -0.214 0.000 2.084 145 N HA -0.256 4.484 4.740 0.000 0.000 0.190 145 N C 1.842 177.175 175.510 -0.295 0.000 1.030 145 N CA 1.793 54.743 53.050 -0.167 0.000 0.849 145 N CB -0.474 37.997 38.487 -0.026 0.000 1.012 145 N HN 0.374 nan 8.380 nan 0.000 0.423 146 Y N 0.258 120.227 120.300 -0.552 0.000 2.165 146 Y HA -0.204 4.347 4.550 0.000 0.000 0.286 146 Y C 2.214 177.540 175.900 -0.957 0.000 1.155 146 Y CA 1.762 59.389 58.100 -0.788 0.000 1.164 146 Y CB -0.426 37.206 38.460 -1.380 0.000 0.978 146 Y HN 0.197 nan 8.280 nan 0.000 0.513 147 A N 1.059 123.013 122.820 -1.443 0.000 1.883 147 A HA -0.219 4.101 4.320 0.000 0.000 0.217 147 A C 2.224 178.729 177.584 -1.800 0.000 1.186 147 A CA 1.923 52.853 52.037 -1.845 0.000 0.624 147 A CB -0.718 17.314 19.000 -1.613 0.000 0.822 147 A HN 0.583 nan 8.150 nan 0.000 0.444 148 R N -0.733 119.164 120.500 -1.006 0.000 2.105 148 R HA -0.095 4.246 4.340 0.000 0.000 0.239 148 R C 2.016 177.960 176.300 -0.594 0.000 1.135 148 R CA 1.430 57.141 56.100 -0.649 0.000 0.967 148 R CB -0.631 29.575 30.300 -0.156 0.000 0.861 148 R HN 0.397 nan 8.270 nan 0.000 0.442 149 V N 1.014 120.639 119.914 -0.481 0.000 2.343 149 V HA -0.273 3.847 4.120 0.000 0.000 0.247 149 V C 2.338 178.228 176.094 -0.341 0.000 1.051 149 V CA 1.591 63.718 62.300 -0.288 0.000 1.036 149 V CB -0.310 31.420 31.823 -0.155 0.000 0.654 149 V HN 0.287 nan 8.190 nan 0.000 0.451 150 M N -1.164 118.074 119.600 -0.603 0.000 2.200 150 M HA -0.037 4.443 4.480 0.000 0.000 0.265 150 M C 2.179 178.265 176.300 -0.356 0.000 1.066 150 M CA 1.592 56.611 55.300 -0.468 0.000 1.127 150 M CB -1.289 30.904 32.600 -0.679 0.000 1.379 150 M HN 0.309 nan 8.290 nan 0.000 0.420 151 F N 0.405 119.885 119.950 -0.782 0.000 2.171 151 F HA -0.115 4.412 4.527 0.000 0.000 0.300 151 F C 2.667 178.170 175.800 -0.495 0.000 1.090 151 F CA 1.164 58.635 58.000 -0.882 0.000 1.293 151 F CB -1.228 36.799 39.000 -1.622 0.000 1.013 151 F HN 0.197 nan 8.300 nan 0.000 0.486 152 R N 0.169 120.501 120.500 -0.281 0.000 2.090 152 R HA -0.013 4.327 4.340 0.000 0.000 0.228 152 R C 2.209 178.575 176.300 0.109 0.000 1.110 152 R CA 1.091 57.248 56.100 0.095 0.000 0.973 152 R CB -0.314 30.078 30.300 0.153 0.000 0.869 152 R HN 0.211 nan 8.270 nan 0.000 0.440 153 A N 0.259 123.117 122.820 0.063 0.000 2.016 153 A HA 0.097 4.417 4.320 0.000 0.000 0.217 153 A C 1.095 178.770 177.584 0.152 0.000 1.162 153 A CA 0.554 52.655 52.037 0.107 0.000 0.662 153 A CB 0.225 19.285 19.000 0.100 0.000 0.812 153 A HN 0.269 nan 8.150 nan 0.000 0.450 154 L N 0.423 121.772 121.223 0.209 0.000 2.784 154 L HA 0.243 4.583 4.340 0.000 0.000 0.241 154 L C -1.849 175.192 176.870 0.284 0.000 1.352 154 L CA -1.163 53.825 54.840 0.245 0.000 0.911 154 L CB 1.212 43.443 42.059 0.288 0.000 1.227 154 L HN 0.127 nan 8.230 nan 0.000 0.501 155 P HA -0.105 nan 4.420 nan 0.000 0.230 155 P C 0.921 178.316 177.300 0.158 0.000 1.158 155 P CA 0.940 64.168 63.100 0.213 0.000 0.769 155 P CB 0.286 32.085 31.700 0.164 0.000 0.807 156 K N -0.410 120.053 120.400 0.105 0.000 2.418 156 K HA 0.104 4.424 4.320 0.000 0.000 0.195 156 K C 0.630 177.229 176.600 -0.001 0.000 1.035 156 K CA 0.081 56.395 56.287 0.046 0.000 1.003 156 K CB 0.066 32.575 32.500 0.017 0.000 0.793 156 K HN 0.050 nan 8.250 nan 0.000 0.494 157 V N 2.047 121.956 119.914 -0.008 0.000 2.715 157 V HA 0.020 4.140 4.120 0.000 0.000 0.299 157 V C 1.227 177.228 176.094 -0.156 0.000 1.054 157 V CA 0.199 62.362 62.300 -0.228 0.000 1.077 157 V CB 1.202 32.670 31.823 -0.591 0.000 0.972 157 V HN 0.247 nan 8.190 nan 0.000 0.484 158 R N 1.782 122.098 120.500 -0.305 0.000 2.453 158 R HA 0.248 4.588 4.340 0.000 0.000 0.233 158 R C -0.299 175.790 176.300 -0.351 0.000 0.895 158 R CA 0.005 55.997 56.100 -0.179 0.000 1.028 158 R CB 0.335 30.554 30.300 -0.134 0.000 1.255 158 R HN 0.605 nan 8.270 nan 0.000 0.571 159 N N 0.287 118.544 118.700 -0.738 0.000 2.524 159 N HA 0.188 4.928 4.740 0.000 0.000 0.261 159 N C -1.251 173.701 175.510 -0.930 0.000 0.998 159 N CA -0.160 52.257 53.050 -1.055 0.000 0.915 159 N CB 1.043 38.359 38.487 -1.952 0.000 1.187 159 N HN -0.065 nan 8.380 nan 0.000 0.507 160 W N 2.010 123.109 121.300 -0.334 0.000 2.666 160 W HA 0.620 5.280 4.660 0.001 0.000 0.334 160 W C 0.058 176.667 176.519 0.150 0.000 1.051 160 W CA -0.630 56.633 57.345 -0.137 0.000 1.224 160 W CB 1.457 30.748 29.460 -0.283 0.000 1.405 160 W HN 0.182 nan 8.180 nan 0.000 0.513 161 I N 2.284 123.099 120.570 0.408 0.000 2.436 161 I HA 0.199 4.370 4.170 0.000 0.000 0.289 161 I C 1.191 177.456 176.117 0.247 0.000 1.010 161 I CA -0.429 61.076 61.300 0.342 0.000 1.098 161 I CB 2.268 40.428 38.000 0.266 0.000 1.266 161 I HN 0.629 nan 8.210 nan 0.000 0.434 162 T N 2.787 117.493 114.554 0.254 0.000 2.643 162 T HA 0.114 4.464 4.350 0.000 0.000 0.256 162 T C 0.343 175.056 174.700 0.022 0.000 1.061 162 T CA 1.048 63.299 62.100 0.252 0.000 1.163 162 T CB -0.106 69.073 68.868 0.519 0.000 0.865 162 T HN 0.203 nan 8.240 nan 0.000 0.407 163 F N 1.721 121.769 119.950 0.165 0.000 2.520 163 F HA 0.541 5.068 4.527 0.000 0.000 0.322 163 F C -0.044 175.780 175.800 0.040 0.000 1.103 163 F CA -1.427 56.650 58.000 0.127 0.000 0.926 163 F CB 1.597 40.554 39.000 -0.072 0.000 1.154 163 F HN 0.113 nan 8.300 nan 0.000 0.453 164 N N 1.988 120.805 118.700 0.195 0.000 2.426 164 N HA 0.204 4.944 4.740 0.000 0.000 0.257 164 N C -1.025 174.561 175.510 0.127 0.000 1.002 164 N CA -0.084 52.937 53.050 -0.048 0.000 0.942 164 N CB 0.311 38.415 38.487 -0.639 0.000 1.112 164 N HN 0.649 nan 8.380 nan 0.000 0.499 165 E N 2.030 122.252 120.200 0.037 0.000 2.291 165 E HA -0.164 4.186 4.350 0.000 0.000 0.181 165 E C -1.780 174.768 176.600 -0.088 0.000 1.480 165 E CA -0.041 56.383 56.400 0.040 0.000 0.674 165 E CB -0.430 29.408 29.700 0.230 0.000 1.108 165 E HN 0.671 nan 8.360 nan 0.000 0.357 166 P HA -0.207 nan 4.420 nan 0.000 0.219 166 P C 1.489 178.472 177.300 -0.527 0.000 1.146 166 P CA 0.941 63.663 63.100 -0.629 0.000 0.808 166 P CB 0.126 31.047 31.700 -1.298 0.000 0.779 167 L N -0.431 120.562 121.223 -0.384 0.000 2.083 167 L HA -0.162 4.178 4.340 0.000 0.000 0.209 167 L C 2.178 178.995 176.870 -0.087 0.000 1.083 167 L CA 1.845 56.699 54.840 0.023 0.000 0.752 167 L CB -0.703 41.565 42.059 0.348 0.000 0.899 167 L HN -0.034 nan 8.230 nan 0.000 0.433 168 C N -1.080 118.084 119.300 -0.227 0.000 2.450 168 C HA -0.035 4.425 4.460 0.000 0.000 0.279 168 C C 2.919 177.545 174.990 -0.607 0.000 1.335 168 C CA 0.895 59.641 59.018 -0.452 0.000 1.749 168 C CB -0.804 26.566 27.740 -0.617 0.000 1.963 168 C HN 0.583 nan 8.230 nan 0.000 0.501 169 S N 0.974 116.337 115.700 -0.563 0.000 2.383 169 S HA -0.059 4.411 4.470 0.000 0.000 0.227 169 S C 2.113 176.653 174.600 -0.100 0.000 1.026 169 S CA 1.393 59.388 58.200 -0.341 0.000 0.981 169 S CB -0.257 62.872 63.200 -0.119 0.000 0.818 169 S HN 0.725 nan 8.310 nan 0.000 0.472 170 A N 1.058 123.819 122.820 -0.099 0.000 1.850 170 A HA 0.203 4.523 4.320 0.000 0.000 0.212 170 A C 2.033 179.605 177.584 -0.019 0.000 1.208 170 A CA 0.643 52.683 52.037 0.004 0.000 0.609 170 A CB -0.543 18.492 19.000 0.059 0.000 0.860 170 A HN 0.407 nan 8.150 nan 0.000 0.448 171 I N -0.121 120.400 120.570 -0.083 0.000 2.206 171 I HA -0.080 4.090 4.170 0.000 0.000 0.239 171 I C -0.723 175.246 176.117 -0.247 0.000 1.078 171 I CA 0.998 62.187 61.300 -0.185 0.000 1.367 171 I CB -0.905 36.996 38.000 -0.165 0.000 1.078 171 I HN 0.169 nan 8.210 nan 0.000 0.413 172 P HA -0.105 nan 4.420 nan 0.000 0.217 172 P C 1.526 178.603 177.300 -0.372 0.000 1.150 172 P CA 1.573 64.390 63.100 -0.472 0.000 0.832 172 P CB -0.183 30.967 31.700 -0.915 0.000 0.787 173 G N -2.217 106.387 108.800 -0.327 0.000 2.421 173 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 173 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 173 G C 0.656 175.149 174.900 -0.678 0.000 1.143 173 G CA 0.667 45.463 45.100 -0.507 0.000 0.784 173 G HN 0.297 nan 8.290 nan 0.000 0.541 174 Y N -1.059 119.091 120.300 -0.249 0.000 2.610 174 Y HA 0.340 4.890 4.550 0.000 0.000 0.254 174 Y C 2.209 177.980 175.900 -0.214 0.000 1.110 174 Y CA -0.074 57.901 58.100 -0.208 0.000 1.238 174 Y CB 0.903 39.246 38.460 -0.194 0.000 1.322 174 Y HN 0.165 nan 8.280 nan 0.000 0.547 175 G N -0.145 108.583 108.800 -0.121 0.000 2.808 175 G HA2 -0.072 3.888 3.960 0.000 0.000 0.210 175 G HA3 -0.072 3.888 3.960 0.000 0.000 0.210 175 G C 1.548 176.363 174.900 -0.142 0.000 1.177 175 G CA 0.728 45.730 45.100 -0.164 0.000 0.853 175 G HN 0.250 nan 8.290 nan 0.000 0.625 176 S N -0.586 115.013 115.700 -0.167 0.000 2.503 176 S HA 0.360 4.830 4.470 0.000 0.000 0.217 176 S C 1.878 176.405 174.600 -0.122 0.000 0.999 176 S CA 1.164 59.279 58.200 -0.140 0.000 0.914 176 S CB 0.237 63.338 63.200 -0.165 0.000 0.782 176 S HN 1.687 nan 8.310 nan 0.000 0.520 177 G N 1.424 110.128 108.800 -0.159 0.000 2.148 177 G HA2 -0.340 3.620 3.960 0.000 0.000 0.254 177 G HA3 -0.340 3.620 3.960 0.000 0.000 0.254 177 G C 0.865 175.742 174.900 -0.039 0.000 0.981 177 G CA 0.956 45.980 45.100 -0.128 0.000 0.670 177 G HN 0.990 nan 8.290 nan 0.000 0.528 178 T N -2.851 111.646 114.554 -0.095 0.000 3.023 178 T HA 0.450 4.800 4.350 0.000 0.000 0.266 178 T C 0.867 175.719 174.700 0.254 0.000 1.093 178 T CA 0.891 63.012 62.100 0.035 0.000 1.129 178 T CB 0.148 68.929 68.868 -0.146 0.000 0.899 178 T HN 0.273 nan 8.240 nan 0.000 0.491 179 F N 1.518 121.291 119.950 -0.295 0.000 2.575 179 F HA 0.788 5.315 4.527 0.000 0.000 0.330 179 F C 0.634 175.454 175.800 -1.633 0.000 1.056 179 F CA -2.854 54.756 58.000 -0.651 0.000 0.964 179 F CB 0.911 39.692 39.000 -0.366 0.000 1.258 179 F HN 0.134 nan 8.300 nan 0.000 0.484 180 A N 2.804 124.238 122.820 -2.310 0.000 2.531 180 A HA 0.304 4.624 4.320 0.000 0.000 0.236 180 A C -1.809 175.058 177.584 -1.195 0.000 1.062 180 A CA -0.643 50.115 52.037 -2.132 0.000 0.760 180 A CB -0.581 17.146 19.000 -2.121 0.000 0.995 180 A HN 0.506 nan 8.150 nan 0.000 0.501 181 P HA 0.146 nan 4.420 nan 0.000 0.257 181 P C 0.722 177.655 177.300 -0.612 0.000 1.325 181 P CA 0.879 63.451 63.100 -0.881 0.000 0.850 181 P CB 0.069 31.238 31.700 -0.884 0.000 1.324 182 G N 0.625 109.007 108.800 -0.697 0.000 2.182 182 G HA2 -0.262 3.698 3.960 0.000 0.000 0.248 182 G HA3 -0.262 3.698 3.960 0.000 0.000 0.248 182 G C 0.053 174.841 174.900 -0.187 0.000 1.042 182 G CA -0.394 44.558 45.100 -0.247 0.000 0.775 182 G HN 0.357 nan 8.290 nan 0.000 0.501 183 R N -0.553 119.760 120.500 -0.313 0.000 2.543 183 R HA 0.631 4.972 4.340 0.000 0.000 0.268 183 R C 0.225 176.456 176.300 -0.115 0.000 1.067 183 R CA -0.220 55.782 56.100 -0.164 0.000 1.142 183 R CB 0.672 30.906 30.300 -0.109 0.000 1.110 183 R HN 0.403 nan 8.270 nan 0.000 0.549 184 Q N 0.658 120.423 119.800 -0.057 0.000 2.294 184 Q HA 0.353 4.693 4.340 0.000 0.000 0.264 184 Q C -1.409 174.571 176.000 -0.033 0.000 0.992 184 Q CA -0.417 55.354 55.803 -0.054 0.000 0.747 184 Q CB 2.391 31.099 28.738 -0.050 0.000 1.262 184 Q HN 0.480 nan 8.270 nan 0.000 0.452 185 S N 0.088 115.764 115.700 -0.041 0.000 2.550 185 S HA 0.374 4.844 4.470 0.000 0.000 0.270 185 S C 0.473 175.044 174.600 -0.049 0.000 1.145 185 S CA -0.311 57.870 58.200 -0.031 0.000 0.852 185 S CB 1.551 64.742 63.200 -0.015 0.000 1.119 185 S HN 0.637 nan 8.310 nan 0.000 0.465 186 T N 0.047 114.596 114.554 -0.008 0.000 3.100 186 T HA 0.126 4.476 4.350 0.000 0.000 0.253 186 T C 1.328 176.101 174.700 0.122 0.000 1.118 186 T CA 1.026 63.153 62.100 0.045 0.000 1.058 186 T CB -0.259 68.642 68.868 0.055 0.000 0.953 186 T HN 0.630 nan 8.240 nan 0.000 0.515 187 S N 0.743 116.475 115.700 0.053 0.000 2.665 187 S HA 0.207 4.677 4.470 0.000 0.000 0.240 187 S C 1.703 176.290 174.600 -0.022 0.000 1.081 187 S CA -0.278 57.993 58.200 0.117 0.000 0.887 187 S CB -0.151 63.091 63.200 0.070 0.000 0.805 187 S HN 0.456 nan 8.310 nan 0.000 0.486 188 E N 2.627 122.771 120.200 -0.092 0.000 2.097 188 E HA -0.093 4.257 4.350 0.000 0.000 0.196 188 E C -0.869 175.563 176.600 -0.280 0.000 1.000 188 E CA 1.639 57.951 56.400 -0.147 0.000 0.804 188 E CB -1.268 28.398 29.700 -0.057 0.000 0.740 188 E HN 0.483 nan 8.360 nan 0.000 0.454 189 P HA -0.185 nan 4.420 nan 0.000 0.216 189 P C 0.564 177.644 177.300 -0.365 0.000 1.150 189 P CA 1.323 64.112 63.100 -0.518 0.000 0.837 189 P CB -0.275 30.850 31.700 -0.958 0.000 0.786 190 W N -0.885 120.414 121.300 -0.002 0.000 2.436 190 W HA -0.061 4.599 4.660 0.000 0.000 0.284 190 W C 2.293 178.824 176.519 0.020 0.000 1.225 190 W CA 0.908 58.245 57.345 -0.013 0.000 1.271 190 W CB -1.922 27.407 29.460 -0.220 0.000 1.114 190 W HN -0.136 nan 8.180 nan 0.000 0.559 191 T N 0.866 115.473 114.554 0.088 0.000 2.708 191 T HA -0.196 4.154 4.350 0.000 0.000 0.266 191 T C 1.914 176.607 174.700 -0.012 0.000 1.037 191 T CA 1.705 63.814 62.100 0.015 0.000 1.146 191 T CB -0.753 68.077 68.868 -0.065 0.000 0.865 191 T HN -0.096 nan 8.240 nan 0.000 0.435 192 V N 1.498 121.318 119.914 -0.157 0.000 2.295 192 V HA -0.130 3.990 4.120 0.000 0.000 0.246 192 V C 2.900 178.924 176.094 -0.116 0.000 1.049 192 V CA 2.059 64.190 62.300 -0.281 0.000 1.024 192 V CB -1.409 30.077 31.823 -0.562 0.000 0.648 192 V HN 0.609 nan 8.190 nan 0.000 0.447 193 G N -1.335 107.513 108.800 0.079 0.000 2.442 193 G HA2 -0.353 3.607 3.960 0.000 0.000 0.219 193 G HA3 -0.353 3.607 3.960 0.000 0.000 0.219 193 G C 1.454 176.459 174.900 0.175 0.000 1.141 193 G CA 1.388 46.577 45.100 0.148 0.000 0.763 193 G HN 0.646 nan 8.290 nan 0.000 0.554 194 H N 0.939 120.097 119.070 0.145 0.000 2.326 194 H HA 0.005 4.561 4.556 0.000 0.000 0.301 194 H C 2.524 177.880 175.328 0.047 0.000 1.081 194 H CA 1.750 57.868 56.048 0.117 0.000 1.334 194 H CB 0.048 29.836 29.762 0.044 0.000 1.385 194 H HN 0.219 nan 8.280 nan 0.000 0.504 195 N N 0.117 118.867 118.700 0.085 0.000 2.244 195 N HA -0.099 4.642 4.740 0.000 0.000 0.183 195 N C 2.006 177.519 175.510 0.006 0.000 1.016 195 N CA 1.091 54.182 53.050 0.069 0.000 0.866 195 N CB -0.096 38.441 38.487 0.082 0.000 0.980 195 N HN 0.442 nan 8.380 nan 0.000 0.430 196 I N 0.823 121.269 120.570 -0.208 0.000 2.202 196 I HA -0.217 3.954 4.170 0.000 0.000 0.242 196 I C 2.080 177.908 176.117 -0.481 0.000 1.091 196 I CA 0.780 61.714 61.300 -0.611 0.000 1.368 196 I CB -0.149 37.298 38.000 -0.922 0.000 1.058 196 I HN 0.056 nan 8.210 nan 0.000 0.410 197 L N -0.102 120.988 121.223 -0.221 0.000 2.042 197 L HA -0.226 4.114 4.340 0.000 0.000 0.210 197 L C 2.565 179.451 176.870 0.026 0.000 1.076 197 L CA 1.190 55.990 54.840 -0.067 0.000 0.749 197 L CB -0.522 41.571 42.059 0.056 0.000 0.893 197 L HN 0.098 nan 8.230 nan 0.000 0.432 198 V N -0.133 119.774 119.914 -0.011 0.000 2.295 198 V HA -0.295 3.825 4.120 0.000 0.000 0.246 198 V C 2.752 178.902 176.094 0.092 0.000 1.049 198 V CA 1.750 64.078 62.300 0.048 0.000 1.024 198 V CB -0.998 30.849 31.823 0.039 0.000 0.648 198 V HN 0.492 nan 8.190 nan 0.000 0.447 199 A N -0.003 122.876 122.820 0.099 0.000 1.892 199 A HA -0.359 3.961 4.320 0.000 0.000 0.218 199 A C 2.125 179.922 177.584 0.355 0.000 1.188 199 A CA 2.660 54.803 52.037 0.177 0.000 0.631 199 A CB -0.994 18.055 19.000 0.081 0.000 0.822 199 A HN 0.812 nan 8.150 nan 0.000 0.447 200 H N -0.645 118.549 119.070 0.207 0.000 2.319 200 H HA -0.049 4.508 4.556 0.000 0.000 0.299 200 H C 2.125 177.553 175.328 0.166 0.000 1.092 200 H CA 2.347 58.564 56.048 0.281 0.000 1.302 200 H CB -0.642 29.185 29.762 0.108 0.000 1.373 200 H HN 0.327 nan 8.280 nan 0.000 0.497 201 G N 0.118 108.938 108.800 0.033 0.000 2.422 201 G HA2 -0.234 3.726 3.960 0.000 0.000 0.218 201 G HA3 -0.234 3.726 3.960 0.000 0.000 0.218 201 G C 1.739 176.613 174.900 -0.043 0.000 1.146 201 G CA 0.622 45.684 45.100 -0.063 0.000 0.769 201 G HN 0.388 nan 8.290 nan 0.000 0.547 202 R N 0.465 120.984 120.500 0.031 0.000 2.081 202 R HA 0.023 4.363 4.340 0.000 0.000 0.235 202 R C 3.009 179.321 176.300 0.020 0.000 1.131 202 R CA 1.146 57.265 56.100 0.032 0.000 0.960 202 R CB -0.366 29.966 30.300 0.053 0.000 0.856 202 R HN 0.353 nan 8.270 nan 0.000 0.436 203 A N 0.686 123.533 122.820 0.045 0.000 1.898 203 A HA -0.089 4.231 4.320 0.000 0.000 0.216 203 A C 2.350 179.960 177.584 0.044 0.000 1.181 203 A CA 1.209 53.252 52.037 0.010 0.000 0.620 203 A CB -0.404 18.607 19.000 0.020 0.000 0.819 203 A HN 0.106 nan 8.150 nan 0.000 0.442 204 V N 0.204 120.066 119.914 -0.086 0.000 2.358 204 V HA -0.234 3.886 4.120 0.000 0.000 0.246 204 V C 2.516 178.590 176.094 -0.032 0.000 1.047 204 V CA 2.274 64.507 62.300 -0.111 0.000 1.035 204 V CB -0.598 31.055 31.823 -0.284 0.000 0.658 204 V HN 0.661 nan 8.190 nan 0.000 0.452 205 K N 0.281 120.658 120.400 -0.038 0.000 2.057 205 K HA -0.169 4.151 4.320 0.000 0.000 0.207 205 K C 2.209 178.811 176.600 0.004 0.000 1.049 205 K CA 1.510 57.783 56.287 -0.023 0.000 0.931 205 K CB -0.299 32.187 32.500 -0.023 0.000 0.714 205 K HN 0.423 nan 8.250 nan 0.000 0.440 206 A N 0.417 123.268 122.820 0.052 0.000 1.902 206 A HA -0.211 4.109 4.320 0.000 0.000 0.217 206 A C 2.056 179.734 177.584 0.157 0.000 1.181 206 A CA 1.470 53.583 52.037 0.126 0.000 0.623 206 A CB -0.919 18.189 19.000 0.180 0.000 0.818 206 A HN 0.558 nan 8.150 nan 0.000 0.443 207 Y N 0.567 120.804 120.300 -0.105 0.000 2.145 207 Y HA -0.218 4.332 4.550 0.000 0.000 0.286 207 Y C 2.555 178.315 175.900 -0.232 0.000 1.145 207 Y CA 2.185 60.008 58.100 -0.463 0.000 1.148 207 Y CB -0.296 37.664 38.460 -0.833 0.000 0.981 207 Y HN 0.264 nan 8.280 nan 0.000 0.507 208 R N -0.207 120.210 120.500 -0.138 0.000 2.092 208 R HA -0.136 4.204 4.340 0.000 0.000 0.231 208 R C 1.730 177.917 176.300 -0.188 0.000 1.119 208 R CA 1.485 57.485 56.100 -0.167 0.000 0.970 208 R CB -0.273 29.991 30.300 -0.060 0.000 0.864 208 R HN 0.372 nan 8.270 nan 0.000 0.440 209 D N 0.141 120.455 120.400 -0.144 0.000 2.103 209 D HA -0.089 4.551 4.640 0.000 0.000 0.199 209 D C 0.971 177.139 176.300 -0.219 0.000 0.978 209 D CA 1.233 55.147 54.000 -0.144 0.000 0.829 209 D CB -0.015 40.726 40.800 -0.099 0.000 0.981 209 D HN 0.134 nan 8.370 nan 0.000 0.464 210 D N -1.883 118.350 120.400 -0.279 0.000 2.479 210 D HA 0.122 4.762 4.640 0.000 0.000 0.216 210 D C 0.808 176.598 176.300 -0.850 0.000 1.110 210 D CA 0.071 53.753 54.000 -0.530 0.000 0.841 210 D CB 0.537 40.974 40.800 -0.606 0.000 1.040 210 D HN 0.182 nan 8.370 nan 0.000 0.505 211 F N 0.871 120.567 119.950 -0.424 0.000 2.856 211 F HA 0.140 4.667 4.527 0.000 0.000 0.338 211 F C 0.608 175.995 175.800 -0.687 0.000 1.005 211 F CA -0.524 57.178 58.000 -0.498 0.000 1.155 211 F CB 0.480 39.159 39.000 -0.534 0.000 1.010 211 F HN -0.297 nan 8.300 nan 0.000 0.587 212 K N 4.072 123.993 120.400 -0.799 0.000 2.484 212 K HA 0.145 4.465 4.320 0.000 0.000 0.280 212 K C -2.545 173.895 176.600 -0.266 0.000 1.013 212 K CA -1.130 54.738 56.287 -0.697 0.000 1.029 212 K CB -0.253 31.911 32.500 -0.560 0.000 0.902 212 K HN -0.039 nan 8.250 nan 0.000 0.481 213 P HA -0.009 nan 4.420 nan 0.000 0.271 213 P C 0.164 177.436 177.300 -0.047 0.000 1.218 213 P CA -0.263 62.809 63.100 -0.046 0.000 0.780 213 P CB 1.423 33.133 31.700 0.016 0.000 0.901 214 A N 3.139 125.934 122.820 -0.043 0.000 1.978 214 A HA -0.198 4.123 4.320 0.000 0.000 0.220 214 A C 2.181 179.754 177.584 -0.017 0.000 1.170 214 A CA 2.215 54.231 52.037 -0.035 0.000 0.636 214 A CB -1.639 17.342 19.000 -0.032 0.000 0.810 214 A HN 0.678 nan 8.150 nan 0.000 0.448 215 S N -1.537 114.159 115.700 -0.007 0.000 2.465 215 S HA 0.174 4.645 4.470 0.000 0.000 0.241 215 S C 1.703 176.308 174.600 0.010 0.000 1.000 215 S CA 1.391 59.593 58.200 0.003 0.000 0.964 215 S CB -0.854 62.350 63.200 0.007 0.000 0.763 215 S HN 2.021 nan 8.310 nan 0.000 0.512 216 G N 2.142 110.948 108.800 0.010 0.000 2.179 216 G HA2 -0.295 3.665 3.960 0.000 0.000 0.260 216 G HA3 -0.295 3.665 3.960 0.000 0.000 0.260 216 G C 0.257 175.185 174.900 0.045 0.000 0.977 216 G CA 0.438 45.552 45.100 0.022 0.000 0.641 216 G HN 0.789 nan 8.290 nan 0.000 0.533 217 D N 0.659 121.086 120.400 0.044 0.000 2.342 217 D HA 0.386 5.026 4.640 0.000 0.000 0.221 217 D C 1.205 177.543 176.300 0.064 0.000 1.101 217 D CA 0.319 54.349 54.000 0.049 0.000 0.837 217 D CB -0.318 40.497 40.800 0.025 0.000 0.938 217 D HN 0.706 nan 8.370 nan 0.000 0.508 218 G N 0.644 109.512 108.800 0.114 0.000 2.390 218 G HA2 0.476 4.436 3.960 0.000 0.000 0.270 218 G HA3 0.476 4.436 3.960 0.000 0.000 0.270 218 G C -0.414 174.639 174.900 0.256 0.000 1.211 218 G CA -0.557 44.677 45.100 0.224 0.000 0.842 218 G HN 0.309 nan 8.290 nan 0.000 0.519 219 Q N 0.524 120.448 119.800 0.208 0.000 2.435 219 Q HA 0.712 5.052 4.340 0.000 0.000 0.282 219 Q C -1.740 174.378 176.000 0.196 0.000 1.020 219 Q CA -1.011 54.937 55.803 0.242 0.000 0.820 219 Q CB 2.416 31.352 28.738 0.331 0.000 1.436 219 Q HN 0.535 nan 8.270 nan 0.000 0.395 220 I N 0.209 120.858 120.570 0.132 0.000 2.802 220 I HA 0.867 5.038 4.170 0.000 0.000 0.298 220 I C -1.184 174.761 176.117 -0.286 0.000 1.176 220 I CA -0.478 60.818 61.300 -0.007 0.000 1.025 220 I CB 2.317 40.137 38.000 -0.300 0.000 1.243 220 I HN 0.946 nan 8.210 nan 0.000 0.424 221 G N 5.915 114.474 108.800 -0.401 0.000 2.559 221 G HA2 0.422 4.383 3.960 0.000 0.000 0.291 221 G HA3 0.422 4.383 3.960 0.000 0.000 0.291 221 G C -2.196 172.618 174.900 -0.142 0.000 1.424 221 G CA -0.637 44.114 45.100 -0.581 0.000 0.786 221 G HN 0.680 nan 8.290 nan 0.000 0.485 222 I N -0.277 120.200 120.570 -0.155 0.000 2.664 222 I HA 0.657 4.828 4.170 0.000 0.000 0.308 222 I C -0.431 175.615 176.117 -0.118 0.000 0.984 222 I CA -1.065 60.157 61.300 -0.130 0.000 1.213 222 I CB 1.946 39.683 38.000 -0.438 0.000 1.379 222 I HN 0.218 nan 8.210 nan 0.000 0.501 223 V N 7.211 127.094 119.914 -0.053 0.000 2.384 223 V HA 0.393 4.513 4.120 0.000 0.000 0.287 223 V C -0.266 175.776 176.094 -0.086 0.000 1.020 223 V CA -0.492 61.789 62.300 -0.032 0.000 0.850 223 V CB 1.329 33.159 31.823 0.012 0.000 0.987 223 V HN 0.429 nan 8.190 nan 0.000 0.436 224 L N 5.963 127.144 121.223 -0.071 0.000 2.341 224 L HA 0.606 4.946 4.340 0.000 0.000 0.278 224 L C 0.038 176.967 176.870 0.098 0.000 1.005 224 L CA -0.772 54.066 54.840 -0.003 0.000 0.818 224 L CB 1.941 44.034 42.059 0.057 0.000 1.259 224 L HN 0.694 nan 8.230 nan 0.000 0.418 225 N N 1.590 120.359 118.700 0.114 0.000 2.413 225 N HA 0.695 5.435 4.740 0.000 0.000 0.266 225 N C -0.246 175.182 175.510 -0.136 0.000 1.238 225 N CA -0.431 52.666 53.050 0.079 0.000 0.972 225 N CB 1.776 40.369 38.487 0.177 0.000 1.210 225 N HN 0.701 nan 8.380 nan 0.000 0.547 226 G N -0.286 108.202 108.800 -0.520 0.000 2.219 226 G HA2 0.209 4.169 3.960 0.000 0.000 0.304 226 G HA3 0.209 4.169 3.960 0.000 0.000 0.304 226 G C -2.121 172.380 174.900 -0.665 0.000 1.712 226 G CA -0.734 43.697 45.100 -1.116 0.000 0.905 226 G HN 0.561 nan 8.290 nan 0.000 0.706 227 D N 0.924 121.074 120.400 -0.417 0.000 2.198 227 D HA 0.580 5.220 4.640 0.000 0.000 0.247 227 D C -0.243 176.367 176.300 0.517 0.000 1.010 227 D CA -0.249 53.891 54.000 0.233 0.000 0.880 227 D CB 2.223 43.236 40.800 0.355 0.000 1.209 227 D HN 0.172 nan 8.370 nan 0.000 0.451 228 F N 1.104 121.361 119.950 0.512 0.000 2.378 228 F HA 0.308 4.835 4.527 0.000 0.000 0.319 228 F C 0.748 176.532 175.800 -0.027 0.000 1.155 228 F CA -0.071 58.070 58.000 0.235 0.000 1.157 228 F CB 0.902 40.018 39.000 0.193 0.000 1.252 228 F HN 0.173 nan 8.300 nan 0.000 0.550 229 T N 0.739 114.602 114.554 -1.152 0.000 2.876 229 T HA 0.605 4.955 4.350 0.000 0.000 0.289 229 T C -1.552 172.603 174.700 -0.908 0.000 1.014 229 T CA -0.637 61.031 62.100 -0.719 0.000 0.986 229 T CB 1.385 69.939 68.868 -0.524 0.000 1.021 229 T HN 0.395 nan 8.240 nan 0.000 0.458 230 Y N 1.506 121.778 120.300 -0.046 0.000 2.442 230 Y HA 0.550 5.100 4.550 0.000 0.000 0.344 230 Y C -2.455 173.583 175.900 0.230 0.000 0.976 230 Y CA -2.667 55.506 58.100 0.121 0.000 1.040 230 Y CB 2.272 40.850 38.460 0.197 0.000 1.228 230 Y HN 0.510 nan 8.280 nan 0.000 0.451 231 P HA -0.092 nan 4.420 nan 0.000 0.268 231 P C 0.309 177.824 177.300 0.359 0.000 1.205 231 P CA 0.079 63.357 63.100 0.296 0.000 0.771 231 P CB 1.106 32.929 31.700 0.206 0.000 0.858 232 W N 3.706 125.098 121.300 0.153 0.000 2.335 232 W HA -0.142 4.518 4.660 0.000 0.000 0.311 232 W C 0.300 176.812 176.519 -0.011 0.000 1.213 232 W CA 1.755 59.126 57.345 0.043 0.000 1.274 232 W CB -0.090 29.394 29.460 0.040 0.000 1.148 232 W HN 0.262 nan 8.180 nan 0.000 0.498 233 D N -0.806 119.684 120.400 0.150 0.000 2.460 233 D HA 0.324 4.964 4.640 0.000 0.000 0.232 233 D C 0.985 177.324 176.300 0.065 0.000 1.079 233 D CA 0.303 54.287 54.000 -0.026 0.000 0.864 233 D CB 1.208 42.081 40.800 0.121 0.000 1.048 233 D HN 0.096 nan 8.370 nan 0.000 0.523 234 A N 3.371 126.202 122.820 0.018 0.000 2.019 234 A HA 0.025 4.345 4.320 0.000 0.000 0.219 234 A C 1.887 179.502 177.584 0.051 0.000 1.164 234 A CA 1.508 53.583 52.037 0.064 0.000 0.644 234 A CB -0.229 18.806 19.000 0.059 0.000 0.805 234 A HN 0.583 nan 8.150 nan 0.000 0.449 235 A N -0.861 121.976 122.820 0.028 0.000 2.238 235 A HA 0.163 4.483 4.320 0.000 0.000 0.208 235 A C 0.584 178.191 177.584 0.039 0.000 1.177 235 A CA 0.629 52.682 52.037 0.027 0.000 0.804 235 A CB -0.205 18.801 19.000 0.010 0.000 0.823 235 A HN 0.360 nan 8.150 nan 0.000 0.482 236 D N -0.590 119.846 120.400 0.061 0.000 2.392 236 D HA 0.369 5.009 4.640 0.000 0.000 0.228 236 D C -1.985 174.332 176.300 0.028 0.000 1.074 236 D CA -2.299 51.736 54.000 0.057 0.000 0.838 236 D CB 1.556 42.427 40.800 0.120 0.000 1.067 236 D HN -0.074 nan 8.370 nan 0.000 0.511 237 P HA -0.124 nan 4.420 nan 0.000 0.217 237 P C 0.986 178.256 177.300 -0.050 0.000 1.148 237 P CA 1.179 64.270 63.100 -0.014 0.000 0.828 237 P CB 0.227 31.914 31.700 -0.021 0.000 0.783 238 A N -0.338 122.399 122.820 -0.139 0.000 1.972 238 A HA -0.207 4.113 4.320 0.000 0.000 0.219 238 A C 1.920 179.437 177.584 -0.112 0.000 1.169 238 A CA 1.995 53.868 52.037 -0.273 0.000 0.635 238 A CB -1.178 17.330 19.000 -0.820 0.000 0.810 238 A HN 0.092 nan 8.150 nan 0.000 0.446 239 D N -0.767 119.649 120.400 0.026 0.000 2.183 239 D HA -0.015 4.625 4.640 0.000 0.000 0.205 239 D C 1.909 178.270 176.300 0.102 0.000 0.962 239 D CA 0.986 55.078 54.000 0.153 0.000 0.849 239 D CB -0.130 40.827 40.800 0.263 0.000 0.978 239 D HN 0.247 nan 8.370 nan 0.000 0.488 240 K N 0.934 121.377 120.400 0.070 0.000 2.032 240 K HA -0.136 4.184 4.320 0.000 0.000 0.209 240 K C 1.921 178.540 176.600 0.032 0.000 1.048 240 K CA 1.068 57.388 56.287 0.055 0.000 0.927 240 K CB -0.108 32.422 32.500 0.051 0.000 0.712 240 K HN 0.144 nan 8.250 nan 0.000 0.441 241 E N -0.371 119.840 120.200 0.019 0.000 2.051 241 E HA -0.208 4.142 4.350 0.000 0.000 0.192 241 E C 1.822 178.433 176.600 0.018 0.000 0.991 241 E CA 1.201 57.610 56.400 0.015 0.000 0.799 241 E CB -0.119 29.577 29.700 -0.006 0.000 0.748 241 E HN 0.336 nan 8.360 nan 0.000 0.449 242 A N 1.079 123.914 122.820 0.025 0.000 1.933 242 A HA -0.084 4.236 4.320 0.000 0.000 0.218 242 A C 2.363 179.948 177.584 0.002 0.000 1.175 242 A CA 1.738 53.790 52.037 0.024 0.000 0.628 242 A CB -0.682 18.359 19.000 0.069 0.000 0.814 242 A HN 0.419 nan 8.150 nan 0.000 0.444 243 A N -0.280 122.540 122.820 0.000 0.000 1.898 243 A HA -0.124 4.196 4.320 0.000 0.000 0.216 243 A C 1.978 179.486 177.584 -0.128 0.000 1.181 243 A CA 2.095 54.090 52.037 -0.070 0.000 0.620 243 A CB -0.430 18.524 19.000 -0.076 0.000 0.819 243 A HN 0.530 nan 8.150 nan 0.000 0.442 244 E N 0.206 120.368 120.200 -0.062 0.000 2.072 244 E HA -0.181 4.169 4.350 0.000 0.000 0.191 244 E C 2.146 178.773 176.600 0.044 0.000 0.985 244 E CA 1.557 57.944 56.400 -0.021 0.000 0.801 244 E CB -0.305 29.430 29.700 0.058 0.000 0.750 244 E HN 0.555 nan 8.360 nan 0.000 0.452 245 R N -0.246 120.291 120.500 0.062 0.000 2.120 245 R HA -0.138 4.202 4.340 0.000 0.000 0.234 245 R C 2.299 178.697 176.300 0.163 0.000 1.123 245 R CA 1.480 57.660 56.100 0.134 0.000 0.975 245 R CB -0.134 30.212 30.300 0.078 0.000 0.866 245 R HN -0.000 nan 8.270 nan 0.000 0.446 246 R N 0.874 121.402 120.500 0.046 0.000 2.073 246 R HA -0.074 4.266 4.340 0.000 0.000 0.234 246 R C 2.106 178.511 176.300 0.176 0.000 1.134 246 R CA 1.644 57.782 56.100 0.064 0.000 0.952 246 R CB -0.763 29.539 30.300 0.004 0.000 0.850 246 R HN 0.302 nan 8.270 nan 0.000 0.433 247 L N 0.243 121.474 121.223 0.015 0.000 2.083 247 L HA -0.153 4.187 4.340 0.000 0.000 0.209 247 L C 2.349 179.333 176.870 0.191 0.000 1.083 247 L CA 1.722 56.499 54.840 -0.106 0.000 0.752 247 L CB -0.467 41.130 42.059 -0.770 0.000 0.899 247 L HN 0.336 nan 8.230 nan 0.000 0.433 248 E N -0.305 120.074 120.200 0.298 0.000 2.077 248 E HA -0.205 4.145 4.350 0.000 0.000 0.193 248 E C 2.122 178.956 176.600 0.390 0.000 0.989 248 E CA 1.309 57.945 56.400 0.394 0.000 0.800 248 E CB -0.126 29.767 29.700 0.322 0.000 0.746 248 E HN 0.425 nan 8.360 nan 0.000 0.452 249 F N -0.510 119.558 119.950 0.197 0.000 2.325 249 F HA -0.070 4.457 4.527 0.000 0.000 0.299 249 F C 1.937 177.971 175.800 0.390 0.000 1.090 249 F CA 0.665 58.760 58.000 0.159 0.000 1.392 249 F CB 0.030 39.040 39.000 0.016 0.000 1.053 249 F HN 0.014 nan 8.300 nan 0.000 0.521 250 F N -0.532 119.690 119.950 0.453 0.000 2.219 250 F HA -0.143 4.385 4.527 0.000 0.000 0.294 250 F C 1.956 178.092 175.800 0.560 0.000 1.086 250 F CA 1.367 59.641 58.000 0.458 0.000 1.330 250 F CB 0.187 39.387 39.000 0.334 0.000 1.047 250 F HN -0.201 nan 8.300 nan 0.000 0.495 251 T N -1.381 113.651 114.554 0.797 0.000 3.176 251 T HA 0.241 4.591 4.350 0.000 0.000 0.259 251 T C 1.720 176.872 174.700 0.754 0.000 0.978 251 T CA 0.412 62.968 62.100 0.759 0.000 1.050 251 T CB -0.238 69.077 68.868 0.745 0.000 1.136 251 T HN 0.118 nan 8.240 nan 0.000 0.465 252 A N 1.267 124.541 122.820 0.757 0.000 2.070 252 A HA -0.095 4.225 4.320 0.000 0.000 0.220 252 A C 1.923 179.813 177.584 0.510 0.000 1.159 252 A CA 1.405 53.853 52.037 0.684 0.000 0.656 252 A CB -1.022 18.350 19.000 0.620 0.000 0.800 252 A HN 0.629 nan 8.150 nan 0.000 0.453 253 W N 0.436 121.841 121.300 0.176 0.000 2.290 253 W HA -0.264 4.396 4.660 0.000 0.000 0.318 253 W C 1.447 177.883 176.519 -0.139 0.000 1.248 253 W CA 2.161 59.447 57.345 -0.098 0.000 1.263 253 W CB -0.953 28.309 29.460 -0.330 0.000 1.147 253 W HN 0.349 nan 8.180 nan 0.000 0.494 254 F N -0.312 119.810 119.950 0.286 0.000 2.317 254 F HA 0.212 4.739 4.527 0.000 0.000 0.290 254 F C 2.560 178.397 175.800 0.062 0.000 1.075 254 F CA 1.508 59.529 58.000 0.034 0.000 1.380 254 F CB -1.475 37.430 39.000 -0.158 0.000 1.093 254 F HN -0.094 nan 8.300 nan 0.000 0.524 255 A N -0.285 122.728 122.820 0.322 0.000 2.016 255 A HA -0.080 4.240 4.320 0.000 0.000 0.217 255 A C 1.708 179.374 177.584 0.135 0.000 1.162 255 A CA 1.529 53.651 52.037 0.142 0.000 0.662 255 A CB -0.654 18.398 19.000 0.087 0.000 0.812 255 A HN 0.210 nan 8.150 nan 0.000 0.450 256 D N 0.040 120.635 120.400 0.325 0.000 2.097 256 D HA -0.068 4.572 4.640 0.000 0.000 0.195 256 D C -0.527 175.833 176.300 0.101 0.000 0.989 256 D CA 1.378 55.573 54.000 0.325 0.000 0.827 256 D CB -1.326 39.663 40.800 0.316 0.000 0.966 256 D HN 0.265 nan 8.370 nan 0.000 0.456 257 P HA -0.074 nan 4.420 nan 0.000 0.216 257 P C 1.553 178.714 177.300 -0.231 0.000 1.150 257 P CA 0.896 63.849 63.100 -0.245 0.000 0.837 257 P CB 0.074 31.620 31.700 -0.257 0.000 0.786 258 I N -3.059 117.430 120.570 -0.135 0.000 2.353 258 I HA -0.232 3.938 4.170 0.000 0.000 0.248 258 I C 1.916 177.896 176.117 -0.229 0.000 1.119 258 I CA 1.581 62.746 61.300 -0.225 0.000 1.417 258 I CB -0.360 37.428 38.000 -0.352 0.000 1.078 258 I HN -0.034 nan 8.210 nan 0.000 0.421 259 Y N -0.357 119.962 120.300 0.031 0.000 2.441 259 Y HA 0.151 4.701 4.550 0.000 0.000 0.288 259 Y C 2.016 178.078 175.900 0.270 0.000 1.118 259 Y CA 0.584 58.776 58.100 0.154 0.000 1.215 259 Y CB 0.121 38.657 38.460 0.127 0.000 1.118 259 Y HN -0.047 nan 8.280 nan 0.000 0.547 260 L N -2.309 119.053 121.223 0.232 0.000 2.609 260 L HA 0.412 4.752 4.340 0.000 0.000 0.230 260 L C 1.594 178.191 176.870 -0.454 0.000 1.087 260 L CA 0.739 55.616 54.840 0.062 0.000 0.874 260 L CB 0.252 42.397 42.059 0.143 0.000 1.114 260 L HN 0.323 nan 8.230 nan 0.000 0.488 261 G N -0.060 108.282 108.800 -0.763 0.000 2.179 261 G HA2 -0.208 3.752 3.960 0.000 0.000 0.220 261 G HA3 -0.208 3.752 3.960 0.000 0.000 0.220 261 G C -0.245 174.346 174.900 -0.515 0.000 0.990 261 G CA 0.150 44.666 45.100 -0.974 0.000 0.646 261 G HN 0.346 nan 8.290 nan 0.000 0.517 262 D N -1.911 118.306 120.400 -0.304 0.000 2.692 262 D HA 0.497 5.138 4.640 0.000 0.000 0.290 262 D C -0.600 175.693 176.300 -0.011 0.000 1.281 262 D CA -0.626 53.286 54.000 -0.147 0.000 0.804 262 D CB 0.478 41.265 40.800 -0.021 0.000 1.331 262 D HN -0.086 nan 8.370 nan 0.000 0.432 263 Y N 0.359 120.784 120.300 0.208 0.000 2.426 263 Y HA 0.274 4.824 4.550 0.000 0.000 0.344 263 Y C -1.376 174.556 175.900 0.054 0.000 1.256 263 Y CA -1.133 57.052 58.100 0.141 0.000 1.451 263 Y CB -0.277 38.231 38.460 0.080 0.000 1.342 263 Y HN 0.042 nan 8.280 nan 0.000 0.600 264 P HA 0.016 nan 4.420 nan 0.000 0.264 264 P C -0.122 177.195 177.300 0.028 0.000 1.193 264 P CA 0.481 63.642 63.100 0.103 0.000 0.763 264 P CB 0.800 32.539 31.700 0.066 0.000 0.810 265 A N 3.490 126.333 122.820 0.039 0.000 1.940 265 A HA -0.216 4.104 4.320 0.000 0.000 0.219 265 A C 2.166 179.741 177.584 -0.015 0.000 1.176 265 A CA 2.301 54.346 52.037 0.014 0.000 0.631 265 A CB -1.565 17.449 19.000 0.025 0.000 0.814 265 A HN 0.607 nan 8.150 nan 0.000 0.446 266 S N -0.385 115.319 115.700 0.006 0.000 2.399 266 S HA -0.174 4.296 4.470 0.000 0.000 0.231 266 S C 1.974 176.556 174.600 -0.031 0.000 1.022 266 S CA 1.683 59.913 58.200 0.050 0.000 0.983 266 S CB -0.603 62.699 63.200 0.171 0.000 0.803 266 S HN 0.547 nan 8.310 nan 0.000 0.480 267 M N 0.783 120.190 119.600 -0.322 0.000 2.132 267 M HA 0.046 4.526 4.480 0.000 0.000 0.263 267 M C 2.583 178.616 176.300 -0.445 0.000 1.065 267 M CA 1.535 56.418 55.300 -0.696 0.000 1.122 267 M CB -0.355 31.625 32.600 -1.033 0.000 1.365 267 M HN 0.278 nan 8.290 nan 0.000 0.411 268 R N 1.261 121.599 120.500 -0.270 0.000 2.091 268 R HA -0.127 4.213 4.340 0.000 0.000 0.238 268 R C 1.921 178.132 176.300 -0.148 0.000 1.136 268 R CA 1.781 57.769 56.100 -0.187 0.000 0.959 268 R CB -0.469 29.786 30.300 -0.075 0.000 0.856 268 R HN 0.286 nan 8.270 nan 0.000 0.437 269 K N -0.183 120.157 120.400 -0.101 0.000 2.002 269 K HA -0.213 4.108 4.320 0.000 0.000 0.209 269 K C 2.150 178.704 176.600 -0.077 0.000 1.048 269 K CA 1.860 58.108 56.287 -0.065 0.000 0.930 269 K CB -0.166 32.319 32.500 -0.026 0.000 0.714 269 K HN 0.357 nan 8.250 nan 0.000 0.438 270 Q N 0.309 120.069 119.800 -0.068 0.000 2.049 270 Q HA -0.106 4.234 4.340 0.000 0.000 0.198 270 Q C 2.015 177.919 176.000 -0.159 0.000 0.971 270 Q CA 1.363 57.124 55.803 -0.069 0.000 0.833 270 Q CB 0.069 28.832 28.738 0.042 0.000 0.896 270 Q HN 0.362 nan 8.270 nan 0.000 0.434 271 L N -0.190 120.861 121.223 -0.285 0.000 2.446 271 L HA 0.177 4.517 4.340 0.000 0.000 0.219 271 L C 1.558 178.252 176.870 -0.293 0.000 1.116 271 L CA 0.252 54.846 54.840 -0.410 0.000 0.844 271 L CB -0.627 40.940 42.059 -0.820 0.000 0.970 271 L HN 0.500 nan 8.230 nan 0.000 0.457 272 G N 1.159 109.824 108.800 -0.225 0.000 2.652 272 G HA2 -0.408 3.552 3.960 0.000 0.000 0.318 272 G HA3 -0.408 3.552 3.960 0.000 0.000 0.318 272 G C 0.489 175.289 174.900 -0.167 0.000 1.295 272 G CA 0.652 45.656 45.100 -0.159 0.000 0.999 272 G HN 0.303 nan 8.290 nan 0.000 0.548 273 D N 0.765 121.092 120.400 -0.122 0.000 2.350 273 D HA -0.007 4.633 4.640 0.000 0.000 0.216 273 D C 2.526 178.756 176.300 -0.116 0.000 0.968 273 D CA 0.686 54.623 54.000 -0.106 0.000 0.894 273 D CB -0.142 40.614 40.800 -0.073 0.000 0.909 273 D HN 0.488 nan 8.370 nan 0.000 0.520 274 R N -0.350 120.066 120.500 -0.141 0.000 2.236 274 R HA 0.032 4.373 4.340 0.000 0.000 0.208 274 R C 0.397 176.613 176.300 -0.141 0.000 1.036 274 R CA -0.023 56.017 56.100 -0.100 0.000 1.001 274 R CB 0.153 30.412 30.300 -0.068 0.000 0.896 274 R HN 0.043 nan 8.270 nan 0.000 0.464 275 L N 1.752 122.806 121.223 -0.283 0.000 2.264 275 L HA 0.387 4.727 4.340 0.000 0.000 0.289 275 L C -2.492 174.227 176.870 -0.250 0.000 1.044 275 L CA -2.507 52.121 54.840 -0.353 0.000 0.807 275 L CB 1.174 42.888 42.059 -0.576 0.000 1.192 275 L HN -0.217 nan 8.230 nan 0.000 0.425 276 P HA 0.255 nan 4.420 nan 0.000 0.273 276 P C -1.152 175.959 177.300 -0.316 0.000 1.250 276 P CA -0.256 62.607 63.100 -0.395 0.000 0.793 276 P CB 0.528 31.736 31.700 -0.820 0.000 1.011 277 T N 1.277 115.646 114.554 -0.309 0.000 2.786 277 T HA 0.438 4.788 4.350 0.000 0.000 0.283 277 T C -0.247 174.400 174.700 -0.088 0.000 0.992 277 T CA -0.245 61.788 62.100 -0.113 0.000 0.954 277 T CB -0.096 68.753 68.868 -0.031 0.000 0.934 277 T HN 0.053 nan 8.240 nan 0.000 0.440 278 F N 3.039 123.087 119.950 0.164 0.000 2.563 278 F HA 0.243 4.770 4.527 0.000 0.000 0.363 278 F C 1.897 177.751 175.800 0.090 0.000 1.123 278 F CA -0.352 57.759 58.000 0.184 0.000 1.307 278 F CB 0.325 39.368 39.000 0.073 0.000 1.115 278 F HN 0.509 nan 8.300 nan 0.000 0.592 279 T N 0.637 115.357 114.554 0.277 0.000 2.816 279 T HA 0.245 4.595 4.350 0.000 0.000 0.282 279 T C -1.895 172.895 174.700 0.151 0.000 0.993 279 T CA -1.694 60.504 62.100 0.163 0.000 0.994 279 T CB 1.284 70.225 68.868 0.121 0.000 1.025 279 T HN 0.270 nan 8.240 nan 0.000 0.529 280 P HA -0.093 nan 4.420 nan 0.000 0.216 280 P C 1.467 178.801 177.300 0.058 0.000 1.150 280 P CA 1.065 64.204 63.100 0.065 0.000 0.837 280 P CB 0.066 31.794 31.700 0.047 0.000 0.786 281 E N 0.167 120.406 120.200 0.065 0.000 2.072 281 E HA -0.210 4.140 4.350 0.000 0.000 0.191 281 E C 1.756 178.395 176.600 0.065 0.000 0.985 281 E CA 1.085 57.517 56.400 0.054 0.000 0.801 281 E CB -0.190 29.541 29.700 0.052 0.000 0.750 281 E HN 0.271 nan 8.360 nan 0.000 0.452 282 E N 0.220 120.490 120.200 0.116 0.000 2.106 282 E HA -0.155 4.195 4.350 0.000 0.000 0.192 282 E C 2.294 178.931 176.600 0.062 0.000 0.984 282 E CA 0.504 56.997 56.400 0.155 0.000 0.806 282 E CB -0.065 29.827 29.700 0.320 0.000 0.750 282 E HN 0.127 nan 8.360 nan 0.000 0.458 283 R N 0.536 121.043 120.500 0.013 0.000 2.096 283 R HA -0.107 4.233 4.340 0.000 0.000 0.235 283 R C 2.243 178.489 176.300 -0.090 0.000 1.127 283 R CA 1.126 57.114 56.100 -0.185 0.000 0.968 283 R CB -0.169 30.060 30.300 -0.119 0.000 0.861 283 R HN 0.123 nan 8.270 nan 0.000 0.440 284 A N 0.866 123.673 122.820 -0.022 0.000 1.978 284 A HA -0.143 4.177 4.320 0.000 0.000 0.220 284 A C 2.137 179.705 177.584 -0.026 0.000 1.170 284 A CA 1.149 53.178 52.037 -0.013 0.000 0.636 284 A CB -0.381 18.618 19.000 -0.002 0.000 0.810 284 A HN 0.297 nan 8.150 nan 0.000 0.448 285 L N -1.115 120.094 121.223 -0.023 0.000 2.095 285 L HA -0.084 4.256 4.340 0.000 0.000 0.204 285 L C 2.416 179.261 176.870 -0.041 0.000 1.080 285 L CA 0.794 55.619 54.840 -0.024 0.000 0.759 285 L CB -0.327 41.733 42.059 0.003 0.000 0.914 285 L HN 0.239 nan 8.230 nan 0.000 0.439 286 V N -1.868 118.003 119.914 -0.072 0.000 2.500 286 V HA -0.156 3.964 4.120 0.000 0.000 0.243 286 V C 1.247 177.288 176.094 -0.088 0.000 1.039 286 V CA 0.418 62.661 62.300 -0.095 0.000 1.053 286 V CB -0.515 31.160 31.823 -0.246 0.000 0.695 286 V HN 0.376 nan 8.190 nan 0.000 0.463 287 H N 0.479 119.406 119.070 -0.239 0.000 3.026 287 H HA 0.337 4.894 4.556 0.000 0.000 0.289 287 H C 1.268 176.508 175.328 -0.146 0.000 1.022 287 H CA 0.482 56.410 56.048 -0.200 0.000 1.477 287 H CB 0.024 29.678 29.762 -0.179 0.000 1.510 287 H HN 0.472 nan 8.280 nan 0.000 0.535 288 G N 3.325 112.062 108.800 -0.106 0.000 2.132 288 G HA2 -0.334 3.626 3.960 0.000 0.000 0.234 288 G HA3 -0.334 3.626 3.960 0.000 0.000 0.234 288 G C 0.870 175.681 174.900 -0.148 0.000 0.989 288 G CA 0.494 45.483 45.100 -0.185 0.000 0.676 288 G HN 0.689 nan 8.290 nan 0.000 0.522 289 S N -1.022 114.601 115.700 -0.129 0.000 2.671 289 S HA 0.294 4.764 4.470 0.000 0.000 0.220 289 S C 0.461 175.028 174.600 -0.054 0.000 0.951 289 S CA 0.114 58.267 58.200 -0.079 0.000 0.932 289 S CB 0.344 63.531 63.200 -0.023 0.000 0.777 289 S HN 0.313 nan 8.310 nan 0.000 0.508 290 N N 2.045 120.639 118.700 -0.176 0.000 2.446 290 N HA 0.353 5.093 4.740 0.000 0.000 0.265 290 N C -0.394 175.061 175.510 -0.091 0.000 0.975 290 N CA -0.457 52.476 53.050 -0.195 0.000 0.928 290 N CB 1.659 39.962 38.487 -0.306 0.000 1.160 290 N HN 0.022 nan 8.380 nan 0.000 0.495 291 D N 0.877 121.229 120.400 -0.080 0.000 2.234 291 D HA 0.004 4.644 4.640 0.000 0.000 0.205 291 D C 0.206 176.680 176.300 0.289 0.000 0.962 291 D CA 1.174 55.238 54.000 0.107 0.000 0.855 291 D CB 0.200 41.104 40.800 0.174 0.000 0.951 291 D HN 0.555 nan 8.370 nan 0.000 0.500 292 F N -2.128 117.997 119.950 0.290 0.000 2.643 292 F HA 0.463 4.990 4.527 0.000 0.000 0.314 292 F C -1.219 174.841 175.800 0.433 0.000 1.096 292 F CA -1.907 56.339 58.000 0.410 0.000 0.953 292 F CB 0.900 40.237 39.000 0.562 0.000 1.345 292 F HN -0.269 nan 8.300 nan 0.000 0.468 293 Y N 1.392 122.053 120.300 0.601 0.000 2.367 293 Y HA 0.648 5.199 4.550 0.000 0.000 0.342 293 Y C 0.188 176.454 175.900 0.609 0.000 0.979 293 Y CA -0.762 57.621 58.100 0.471 0.000 1.161 293 Y CB 1.184 39.862 38.460 0.364 0.000 1.155 293 Y HN 0.988 nan 8.280 nan 0.000 0.503 294 G N 7.460 116.458 108.800 0.330 0.000 2.320 294 G HA2 0.415 4.375 3.960 0.000 0.000 0.300 294 G HA3 0.415 4.375 3.960 0.000 0.000 0.300 294 G C -1.186 173.874 174.900 0.266 0.000 1.126 294 G CA -0.835 44.523 45.100 0.431 0.000 0.896 294 G HN 0.700 nan 8.290 nan 0.000 0.436 295 M N 3.342 123.189 119.600 0.411 0.000 2.134 295 M HA 0.357 4.838 4.480 0.000 0.000 0.310 295 M C -1.340 175.103 176.300 0.238 0.000 0.966 295 M CA -0.887 54.663 55.300 0.416 0.000 0.922 295 M CB 1.417 34.347 32.600 0.550 0.000 1.537 295 M HN 0.332 nan 8.290 nan 0.000 0.424 296 N N 3.203 121.991 118.700 0.147 0.000 2.421 296 N HA 0.446 5.187 4.740 0.000 0.000 0.285 296 N C -1.588 173.951 175.510 0.048 0.000 1.027 296 N CA -0.194 52.897 53.050 0.069 0.000 0.918 296 N CB 1.134 39.680 38.487 0.099 0.000 1.152 296 N HN 0.678 nan 8.380 nan 0.000 0.485 297 H N 0.643 119.578 119.070 -0.224 0.000 2.954 297 H HA 0.350 4.906 4.556 0.000 0.000 0.361 297 H C -0.948 174.193 175.328 -0.313 0.000 1.122 297 H CA -0.403 55.536 56.048 -0.181 0.000 1.217 297 H CB 0.749 30.439 29.762 -0.120 0.000 1.776 297 H HN 0.552 nan 8.280 nan 0.000 0.533 298 Y N 1.515 121.536 120.300 -0.464 0.000 2.640 298 Y HA 0.281 4.831 4.550 0.000 0.000 0.274 298 Y C 0.901 176.825 175.900 0.040 0.000 1.164 298 Y CA 0.597 58.667 58.100 -0.049 0.000 1.189 298 Y CB 1.329 39.985 38.460 0.327 0.000 1.333 298 Y HN 0.635 nan 8.280 nan 0.000 0.494 299 T N -1.279 113.333 114.554 0.097 0.000 2.671 299 T HA 0.714 5.064 4.350 0.000 0.000 0.300 299 T C -1.356 173.569 174.700 0.375 0.000 1.238 299 T CA -0.440 61.872 62.100 0.354 0.000 1.020 299 T CB 1.370 70.511 68.868 0.456 0.000 1.503 299 T HN -0.065 nan 8.240 nan 0.000 0.497 300 S N 0.915 116.862 115.700 0.411 0.000 2.607 300 S HA 0.725 5.195 4.470 0.000 0.000 0.273 300 S C -1.442 173.315 174.600 0.261 0.000 1.148 300 S CA -0.934 57.500 58.200 0.389 0.000 0.833 300 S CB 1.582 65.085 63.200 0.505 0.000 1.130 300 S HN 0.703 nan 8.310 nan 0.000 0.470 301 N N -0.084 118.712 118.700 0.160 0.000 2.416 301 N HA 0.405 5.145 4.740 0.000 0.000 0.276 301 N C -1.917 173.610 175.510 0.029 0.000 1.261 301 N CA -0.503 52.574 53.050 0.046 0.000 0.790 301 N CB 1.344 39.848 38.487 0.028 0.000 1.554 301 N HN 0.460 nan 8.380 nan 0.000 0.481 302 Y N 0.625 121.040 120.300 0.191 0.000 2.299 302 Y HA 0.401 4.951 4.550 0.000 0.000 0.326 302 Y C 0.468 176.458 175.900 0.150 0.000 1.164 302 Y CA -0.262 57.975 58.100 0.228 0.000 1.234 302 Y CB 0.845 39.481 38.460 0.293 0.000 1.219 302 Y HN 0.221 nan 8.280 nan 0.000 0.497 303 I N 3.696 124.460 120.570 0.323 0.000 2.436 303 I HA 0.400 4.571 4.170 0.000 0.000 0.289 303 I C -0.386 175.848 176.117 0.196 0.000 1.010 303 I CA -0.934 60.465 61.300 0.166 0.000 1.098 303 I CB 1.772 39.817 38.000 0.074 0.000 1.266 303 I HN 0.589 nan 8.210 nan 0.000 0.434 304 R N 5.617 126.156 120.500 0.065 0.000 2.494 304 R HA 0.379 4.719 4.340 0.000 0.000 0.305 304 R C -0.027 176.242 176.300 -0.051 0.000 0.959 304 R CA -0.555 55.539 56.100 -0.009 0.000 0.864 304 R CB 1.308 31.379 30.300 -0.381 0.000 1.159 304 R HN 0.723 nan 8.270 nan 0.000 0.446 305 H N 2.918 121.957 119.070 -0.052 0.000 2.671 305 H HA 0.283 4.839 4.556 0.000 0.000 0.372 305 H C -0.827 174.440 175.328 -0.101 0.000 1.227 305 H CA -0.127 55.882 56.048 -0.065 0.000 1.426 305 H CB 0.835 30.579 29.762 -0.030 0.000 1.480 305 H HN 0.482 nan 8.280 nan 0.000 0.611 306 R N 0.336 120.738 120.500 -0.163 0.000 2.732 306 R HA 0.200 4.540 4.340 0.000 0.000 0.278 306 R C 0.886 177.128 176.300 -0.098 0.000 0.976 306 R CA -0.306 55.666 56.100 -0.213 0.000 0.963 306 R CB 1.437 31.652 30.300 -0.140 0.000 1.150 306 R HN 0.837 nan 8.270 nan 0.000 0.478 307 S N -0.906 114.722 115.700 -0.120 0.000 2.603 307 S HA -0.007 4.463 4.470 0.000 0.000 0.220 307 S C 0.508 175.094 174.600 -0.023 0.000 0.967 307 S CA -0.198 57.979 58.200 -0.038 0.000 0.920 307 S CB -0.101 63.063 63.200 -0.059 0.000 0.773 307 S HN 0.579 nan 8.310 nan 0.000 0.529 308 S N 0.791 116.468 115.700 -0.038 0.000 2.627 308 S HA 0.721 5.191 4.470 0.000 0.000 0.283 308 S C -3.299 171.277 174.600 -0.040 0.000 1.127 308 S CA -1.644 56.535 58.200 -0.036 0.000 0.863 308 S CB 1.052 64.225 63.200 -0.045 0.000 1.121 308 S HN 0.106 nan 8.310 nan 0.000 0.479 309 P HA 0.308 nan 4.420 nan 0.000 0.269 309 P C -0.300 176.965 177.300 -0.058 0.000 1.215 309 P CA -0.140 62.933 63.100 -0.045 0.000 0.780 309 P CB 0.121 31.798 31.700 -0.038 0.000 0.898 310 A N 2.554 125.331 122.820 -0.071 0.000 2.462 310 A HA 0.381 4.701 4.320 0.000 0.000 0.243 310 A C 0.819 178.364 177.584 -0.064 0.000 1.076 310 A CA -0.147 51.840 52.037 -0.083 0.000 0.773 310 A CB -0.470 18.464 19.000 -0.111 0.000 1.010 310 A HN 0.619 nan 8.150 nan 0.000 0.493 311 S N 1.229 116.894 115.700 -0.059 0.000 2.632 311 S HA 0.516 4.986 4.470 0.000 0.000 0.267 311 S C 1.226 175.809 174.600 -0.029 0.000 1.276 311 S CA -0.202 57.973 58.200 -0.042 0.000 0.998 311 S CB 1.331 64.508 63.200 -0.039 0.000 0.953 311 S HN 1.509 nan 8.310 nan 0.000 0.547 312 A N 0.702 123.511 122.820 -0.017 0.000 2.070 312 A HA -0.083 4.237 4.320 0.000 0.000 0.220 312 A C 1.466 179.072 177.584 0.036 0.000 1.159 312 A CA 1.553 53.594 52.037 0.007 0.000 0.656 312 A CB -1.137 17.867 19.000 0.005 0.000 0.800 312 A HN 0.949 nan 8.150 nan 0.000 0.453 313 D N -0.397 120.010 120.400 0.010 0.000 2.349 313 D HA -0.017 4.623 4.640 0.000 0.000 0.224 313 D C 0.439 176.745 176.300 0.011 0.000 1.029 313 D CA 0.068 54.073 54.000 0.007 0.000 0.879 313 D CB -0.313 40.477 40.800 -0.018 0.000 0.906 313 D HN 0.391 nan 8.370 nan 0.000 0.528 314 D N 0.460 120.867 120.400 0.012 0.000 2.390 314 D HA 0.028 4.668 4.640 0.000 0.000 0.249 314 D C 0.653 177.006 176.300 0.089 0.000 1.144 314 D CA 0.502 54.496 54.000 -0.011 0.000 0.880 314 D CB 1.132 41.888 40.800 -0.074 0.000 1.182 314 D HN 0.203 nan 8.370 nan 0.000 0.451 315 T N -0.348 114.241 114.554 0.058 0.000 3.016 315 T HA 0.042 4.392 4.350 0.000 0.000 0.271 315 T C 1.484 176.246 174.700 0.102 0.000 0.968 315 T CA 0.312 62.536 62.100 0.206 0.000 0.891 315 T CB -0.123 68.768 68.868 0.037 0.000 1.149 315 T HN 0.244 nan 8.240 nan 0.000 0.524 316 V N -1.554 118.290 119.914 -0.117 0.000 3.590 316 V HA 0.668 4.788 4.120 0.000 0.000 0.265 316 V C 1.596 177.366 176.094 -0.539 0.000 1.239 316 V CA 0.507 62.684 62.300 -0.204 0.000 1.117 316 V CB -0.663 31.055 31.823 -0.175 0.000 0.818 316 V HN 0.834 nan 8.190 nan 0.000 0.451 317 G N 1.083 109.312 108.800 -0.951 0.000 2.173 317 G HA2 -0.223 3.737 3.960 0.000 0.000 0.174 317 G HA3 -0.223 3.737 3.960 0.000 0.000 0.174 317 G C 0.098 174.618 174.900 -0.635 0.000 1.025 317 G CA 0.165 44.370 45.100 -1.491 0.000 0.706 317 G HN 1.176 nan 8.290 nan 0.000 0.499 318 N N -2.206 116.245 118.700 -0.414 0.000 2.727 318 N HA -0.090 4.650 4.740 0.000 0.000 0.251 318 N C 0.054 175.454 175.510 -0.183 0.000 1.040 318 N CA 2.100 55.006 53.050 -0.239 0.000 0.712 318 N CB -1.142 37.228 38.487 -0.195 0.000 0.912 318 N HN 2.061 nan 8.380 nan 0.000 0.545 319 V N -2.759 117.048 119.914 -0.178 0.000 3.114 319 V HA 0.717 4.838 4.120 0.000 0.000 0.308 319 V C -0.372 175.646 176.094 -0.127 0.000 1.168 319 V CA -1.175 61.047 62.300 -0.131 0.000 1.015 319 V CB 2.293 34.054 31.823 -0.104 0.000 1.050 319 V HN 0.043 nan 8.190 nan 0.000 0.433 320 D N 1.820 122.143 120.400 -0.127 0.000 2.264 320 D HA 0.530 5.170 4.640 0.000 0.000 0.250 320 D C -0.374 175.872 176.300 -0.090 0.000 1.113 320 D CA 0.025 53.949 54.000 -0.127 0.000 0.871 320 D CB 1.969 42.660 40.800 -0.181 0.000 1.167 320 D HN 0.530 nan 8.370 nan 0.000 0.447 321 V N 4.017 123.876 119.914 -0.092 0.000 2.328 321 V HA 0.394 4.514 4.120 0.000 0.000 0.278 321 V C 0.314 176.292 176.094 -0.192 0.000 1.021 321 V CA -0.518 61.722 62.300 -0.101 0.000 0.838 321 V CB 0.658 32.422 31.823 -0.098 0.000 0.999 321 V HN 0.319 nan 8.190 nan 0.000 0.447 322 L N 3.385 124.514 121.223 -0.156 0.000 2.283 322 L HA 0.610 4.951 4.340 0.000 0.000 0.259 322 L C -0.070 176.682 176.870 -0.197 0.000 1.027 322 L CA -0.528 54.214 54.840 -0.164 0.000 0.828 322 L CB 2.073 44.210 42.059 0.130 0.000 1.380 322 L HN 0.424 nan 8.230 nan 0.000 0.425 323 F N -1.140 119.010 119.950 0.332 0.000 2.704 323 F HA 0.152 4.679 4.527 0.000 0.000 0.304 323 F C 0.973 177.064 175.800 0.485 0.000 1.094 323 F CA -0.281 57.926 58.000 0.346 0.000 1.275 323 F CB 0.601 39.742 39.000 0.234 0.000 1.073 323 F HN 0.457 nan 8.300 nan 0.000 0.586 324 T N -1.474 113.441 114.554 0.601 0.000 2.906 324 T HA 0.578 4.928 4.350 0.000 0.000 0.295 324 T C -0.525 174.198 174.700 0.038 0.000 1.061 324 T CA -0.928 61.384 62.100 0.354 0.000 1.000 324 T CB 2.536 71.557 68.868 0.254 0.000 1.103 324 T HN 0.054 nan 8.240 nan 0.000 0.486 325 N N 0.577 118.916 118.700 -0.601 0.000 2.671 325 N HA 0.331 5.071 4.740 0.000 0.000 0.303 325 N C 0.975 175.907 175.510 -0.963 0.000 1.277 325 N CA -1.245 51.204 53.050 -1.001 0.000 0.933 325 N CB 0.973 38.583 38.487 -1.461 0.000 1.190 325 N HN 0.778 nan 8.380 nan 0.000 0.600 326 K N -0.969 118.440 120.400 -1.651 0.000 2.152 326 K HA -0.175 4.146 4.320 0.000 0.000 0.206 326 K C 0.833 177.089 176.600 -0.573 0.000 1.048 326 K CA 1.608 57.055 56.287 -1.401 0.000 0.933 326 K CB -0.019 31.574 32.500 -1.512 0.000 0.721 326 K HN 0.506 nan 8.250 nan 0.000 0.447 327 Q N -0.970 118.557 119.800 -0.456 0.000 2.444 327 Q HA 0.155 4.495 4.340 0.000 0.000 0.206 327 Q C 0.763 176.665 176.000 -0.164 0.000 0.948 327 Q CA 0.765 56.419 55.803 -0.248 0.000 0.946 327 Q CB 0.841 29.458 28.738 -0.201 0.000 1.027 327 Q HN 0.570 nan 8.270 nan 0.000 0.513 328 G N 0.136 108.833 108.800 -0.172 0.000 2.143 328 G HA2 -0.258 3.703 3.960 0.000 0.000 0.249 328 G HA3 -0.258 3.703 3.960 0.000 0.000 0.249 328 G C -0.105 174.776 174.900 -0.032 0.000 0.981 328 G CA -0.110 44.952 45.100 -0.064 0.000 0.665 328 G HN 0.284 nan 8.290 nan 0.000 0.528 329 N N -0.416 118.237 118.700 -0.079 0.000 2.503 329 N HA 0.431 5.171 4.740 0.000 0.000 0.267 329 N C 0.042 175.644 175.510 0.153 0.000 1.214 329 N CA 0.462 53.526 53.050 0.023 0.000 0.959 329 N CB 1.674 40.173 38.487 0.020 0.000 1.142 329 N HN 0.386 nan 8.380 nan 0.000 0.455 330 C N 2.669 122.109 119.300 0.234 0.000 2.411 330 C HA 0.385 4.845 4.460 0.000 0.000 0.330 330 C C 2.096 177.288 174.990 0.338 0.000 1.224 330 C CA -0.739 58.477 59.018 0.331 0.000 1.770 330 C CB -0.396 27.475 27.740 0.218 0.000 2.297 330 C HN 0.650 nan 8.230 nan 0.000 0.507 331 I N 3.391 124.174 120.570 0.356 0.000 2.226 331 I HA 0.135 4.305 4.170 0.000 0.000 0.245 331 I C 1.425 177.651 176.117 0.182 0.000 1.100 331 I CA 2.167 63.567 61.300 0.167 0.000 1.374 331 I CB -1.387 36.708 38.000 0.158 0.000 1.057 331 I HN 0.966 nan 8.210 nan 0.000 0.413 332 G N 0.036 108.965 108.800 0.215 0.000 2.356 332 G HA2 0.355 4.315 3.960 0.000 0.000 0.294 332 G HA3 0.355 4.315 3.960 0.000 0.000 0.294 332 G C -3.009 172.004 174.900 0.187 0.000 1.423 332 G CA -0.642 44.574 45.100 0.193 0.000 0.806 332 G HN -0.189 nan 8.290 nan 0.000 0.527 333 P HA 0.248 nan 4.420 nan 0.000 0.272 333 P C -0.241 177.163 177.300 0.173 0.000 1.223 333 P CA 0.001 63.223 63.100 0.204 0.000 0.784 333 P CB 1.039 32.929 31.700 0.317 0.000 0.923 334 E N 0.101 120.337 120.200 0.060 0.000 2.398 334 E HA 0.191 4.541 4.350 0.000 0.000 0.263 334 E C 0.703 177.227 176.600 -0.128 0.000 1.046 334 E CA 0.195 56.564 56.400 -0.052 0.000 0.908 334 E CB 0.502 30.142 29.700 -0.101 0.000 0.963 334 E HN 0.547 nan 8.360 nan 0.000 0.431 335 T N -0.691 113.747 114.554 -0.195 0.000 2.718 335 T HA 0.114 4.464 4.350 0.000 0.000 0.267 335 T C 0.783 175.302 174.700 -0.302 0.000 0.957 335 T CA -0.717 61.180 62.100 -0.337 0.000 1.025 335 T CB 0.960 69.632 68.868 -0.328 0.000 1.355 335 T HN 0.311 nan 8.240 nan 0.000 0.572 336 Q N 0.224 119.827 119.800 -0.330 0.000 2.435 336 Q HA 0.259 4.599 4.340 0.000 0.000 0.207 336 Q C 0.153 176.030 176.000 -0.205 0.000 0.956 336 Q CA 0.495 56.156 55.803 -0.237 0.000 0.917 336 Q CB -0.243 28.361 28.738 -0.224 0.000 0.997 336 Q HN 0.625 nan 8.270 nan 0.000 0.497 337 S N 1.822 117.330 115.700 -0.321 0.000 2.422 337 S HA 0.266 4.736 4.470 0.000 0.000 0.308 337 S C -2.103 172.277 174.600 -0.366 0.000 1.097 337 S CA -1.239 56.727 58.200 -0.391 0.000 1.099 337 S CB 1.473 64.164 63.200 -0.847 0.000 0.976 337 S HN 0.174 nan 8.310 nan 0.000 0.471 338 P HA -0.093 nan 4.420 nan 0.000 0.219 338 P C 1.384 178.767 177.300 0.139 0.000 1.146 338 P CA 0.826 63.926 63.100 0.001 0.000 0.808 338 P CB 0.011 31.784 31.700 0.122 0.000 0.779 339 W N -1.368 120.059 121.300 0.212 0.000 2.905 339 W HA 0.212 4.872 4.660 0.000 0.000 0.251 339 W C -0.135 176.581 176.519 0.328 0.000 1.305 339 W CA -0.058 57.472 57.345 0.308 0.000 1.465 339 W CB -0.803 28.788 29.460 0.217 0.000 1.122 339 W HN -0.074 nan 8.180 nan 0.000 0.659 340 L N 3.403 124.474 121.223 -0.254 0.000 2.294 340 L HA 0.493 4.833 4.340 0.000 0.000 0.283 340 L C -0.612 176.267 176.870 0.016 0.000 1.015 340 L CA -0.474 54.231 54.840 -0.225 0.000 0.831 340 L CB 0.806 42.362 42.059 -0.838 0.000 1.217 340 L HN -0.274 nan 8.230 nan 0.000 0.420 341 R N 5.033 125.673 120.500 0.233 0.000 2.439 341 R HA 0.468 4.808 4.340 0.000 0.000 0.310 341 R C -2.694 173.822 176.300 0.359 0.000 0.955 341 R CA -2.403 53.859 56.100 0.271 0.000 0.853 341 R CB 1.545 32.031 30.300 0.310 0.000 1.171 341 R HN 0.354 nan 8.270 nan 0.000 0.449 342 P HA 0.045 nan 4.420 nan 0.000 0.268 342 P C -0.342 177.173 177.300 0.359 0.000 1.204 342 P CA -0.126 63.276 63.100 0.504 0.000 0.768 342 P CB 0.551 32.522 31.700 0.450 0.000 0.842 343 C N 4.039 123.562 119.300 0.371 0.000 3.354 343 C HA 0.542 5.002 4.460 0.000 0.000 0.314 343 C C 1.575 176.510 174.990 -0.091 0.000 1.019 343 C CA 0.080 59.197 59.018 0.165 0.000 1.293 343 C CB -1.053 26.840 27.740 0.255 0.000 1.747 343 C HN 0.700 nan 8.230 nan 0.000 0.580 344 A N 2.879 125.465 122.820 -0.390 0.000 1.940 344 A HA 0.069 4.390 4.320 0.000 0.000 0.219 344 A C 2.350 179.759 177.584 -0.291 0.000 1.176 344 A CA 2.329 53.922 52.037 -0.741 0.000 0.631 344 A CB -0.481 18.225 19.000 -0.491 0.000 0.814 344 A HN 1.604 nan 8.150 nan 0.000 0.446 345 A N -0.518 122.233 122.820 -0.115 0.000 1.972 345 A HA 0.107 4.427 4.320 0.000 0.000 0.219 345 A C 2.371 179.979 177.584 0.041 0.000 1.169 345 A CA 1.844 53.861 52.037 -0.033 0.000 0.635 345 A CB -1.316 17.681 19.000 -0.006 0.000 0.810 345 A HN 0.777 nan 8.150 nan 0.000 0.446 346 G N -1.406 107.511 108.800 0.195 0.000 2.448 346 G HA2 -0.196 3.764 3.960 0.000 0.000 0.219 346 G HA3 -0.196 3.764 3.960 0.000 0.000 0.219 346 G C 1.355 176.325 174.900 0.116 0.000 1.127 346 G CA 1.103 46.365 45.100 0.271 0.000 0.766 346 G HN 0.459 nan 8.290 nan 0.000 0.552 347 F N 1.666 121.567 119.950 -0.081 0.000 2.084 347 F HA 0.055 4.582 4.527 0.000 0.000 0.296 347 F C 2.565 178.227 175.800 -0.229 0.000 1.111 347 F CA 1.331 59.170 58.000 -0.269 0.000 1.224 347 F CB -0.518 38.427 39.000 -0.091 0.000 0.991 347 F HN 0.121 nan 8.300 nan 0.000 0.471 348 R N 0.325 120.675 120.500 -0.249 0.000 2.083 348 R HA -0.190 4.150 4.340 0.000 0.000 0.237 348 R C 1.811 177.930 176.300 -0.302 0.000 1.137 348 R CA 2.255 58.167 56.100 -0.313 0.000 0.951 348 R CB -0.664 29.506 30.300 -0.215 0.000 0.851 348 R HN 0.237 nan 8.270 nan 0.000 0.434 349 D N -0.330 119.824 120.400 -0.410 0.000 2.144 349 D HA -0.146 4.494 4.640 0.000 0.000 0.200 349 D C 1.608 177.459 176.300 -0.748 0.000 0.978 349 D CA 0.945 54.513 54.000 -0.720 0.000 0.833 349 D CB -0.344 39.702 40.800 -1.257 0.000 0.961 349 D HN 0.229 nan 8.370 nan 0.000 0.470 350 F N 0.900 120.444 119.950 -0.676 0.000 2.146 350 F HA -0.101 4.426 4.527 0.000 0.000 0.298 350 F C 2.176 177.967 175.800 -0.014 0.000 1.096 350 F CA 0.800 58.721 58.000 -0.131 0.000 1.275 350 F CB 0.024 38.993 39.000 -0.053 0.000 1.008 350 F HN -0.116 nan 8.300 nan 0.000 0.480 351 L N -0.760 120.518 121.223 0.091 0.000 2.042 351 L HA -0.266 4.075 4.340 0.000 0.000 0.210 351 L C 2.247 179.076 176.870 -0.070 0.000 1.076 351 L CA 1.001 55.841 54.840 0.000 0.000 0.749 351 L CB -0.801 41.157 42.059 -0.168 0.000 0.893 351 L HN 0.001 nan 8.230 nan 0.000 0.432 352 V N -1.463 118.389 119.914 -0.103 0.000 2.358 352 V HA -0.285 3.835 4.120 0.000 0.000 0.246 352 V C 2.031 178.052 176.094 -0.120 0.000 1.047 352 V CA 1.794 64.019 62.300 -0.125 0.000 1.035 352 V CB -0.634 31.135 31.823 -0.091 0.000 0.658 352 V HN 0.632 nan 8.190 nan 0.000 0.452 353 W N 0.762 121.928 121.300 -0.224 0.000 2.355 353 W HA -0.190 4.470 4.660 0.000 0.000 0.309 353 W C 2.164 178.513 176.519 -0.283 0.000 1.206 353 W CA 1.850 59.064 57.345 -0.219 0.000 1.284 353 W CB -0.235 29.107 29.460 -0.196 0.000 1.145 353 W HN 0.182 nan 8.180 nan 0.000 0.502 354 I N 0.225 120.755 120.570 -0.068 0.000 2.163 354 I HA -0.381 3.789 4.170 0.000 0.000 0.243 354 I C 2.561 178.385 176.117 -0.489 0.000 1.085 354 I CA 1.833 62.976 61.300 -0.262 0.000 1.347 354 I CB -0.890 36.998 38.000 -0.188 0.000 1.044 354 I HN -0.117 nan 8.210 nan 0.000 0.408 355 S N 0.467 115.864 115.700 -0.505 0.000 2.368 355 S HA -0.190 4.280 4.470 0.000 0.000 0.225 355 S C 1.949 175.967 174.600 -0.969 0.000 1.030 355 S CA 1.325 59.027 58.200 -0.830 0.000 0.999 355 S CB -0.208 62.354 63.200 -1.063 0.000 0.844 355 S HN 0.379 nan 8.310 nan 0.000 0.459 356 K N 0.608 120.579 120.400 -0.715 0.000 2.155 356 K HA 0.034 4.354 4.320 0.000 0.000 0.203 356 K C 2.388 178.687 176.600 -0.503 0.000 1.052 356 K CA 0.728 56.739 56.287 -0.461 0.000 0.948 356 K CB -0.072 32.249 32.500 -0.299 0.000 0.728 356 K HN 0.152 nan 8.250 nan 0.000 0.448 357 R N -0.209 119.798 120.500 -0.821 0.000 2.161 357 R HA -0.042 4.298 4.340 0.000 0.000 0.213 357 R C 0.489 176.237 176.300 -0.920 0.000 1.055 357 R CA 1.007 56.483 56.100 -1.040 0.000 0.996 357 R CB 0.339 29.577 30.300 -1.769 0.000 0.901 357 R HN 0.162 nan 8.270 nan 0.000 0.456 358 Y N -0.957 119.079 120.300 -0.440 0.000 2.716 358 Y HA 0.370 4.920 4.550 0.000 0.000 0.260 358 Y C 0.620 176.351 175.900 -0.282 0.000 1.141 358 Y CA -0.360 57.476 58.100 -0.440 0.000 1.168 358 Y CB 1.055 38.988 38.460 -0.879 0.000 1.189 358 Y HN 0.189 nan 8.280 nan 0.000 0.549 359 G N -0.061 108.704 108.800 -0.059 0.000 2.272 359 G HA2 -0.366 3.594 3.960 0.000 0.000 0.280 359 G HA3 -0.366 3.594 3.960 0.000 0.000 0.280 359 G C -0.278 174.749 174.900 0.212 0.000 1.067 359 G CA 0.002 45.171 45.100 0.115 0.000 0.902 359 G HN 0.461 nan 8.290 nan 0.000 0.500 360 Y N -2.773 117.503 120.300 -0.041 0.000 3.027 360 Y HA -0.194 4.356 4.550 0.000 0.000 0.195 360 Y C -0.660 175.263 175.900 0.039 0.000 1.381 360 Y CA 0.562 58.653 58.100 -0.014 0.000 1.015 360 Y CB -1.742 36.715 38.460 -0.006 0.000 1.329 360 Y HN 0.550 nan 8.280 nan 0.000 0.462 361 P HA 0.148 nan 4.420 nan 0.000 0.274 361 P C -2.463 174.963 177.300 0.210 0.000 1.246 361 P CA -1.318 61.898 63.100 0.192 0.000 0.795 361 P CB 0.704 32.532 31.700 0.213 0.000 1.006 362 P HA 0.275 nan 4.420 nan 0.000 0.276 362 P C -0.393 177.086 177.300 0.298 0.000 1.235 362 P CA 0.407 63.642 63.100 0.225 0.000 0.772 362 P CB 0.428 32.281 31.700 0.256 0.000 0.871 363 I N 3.853 124.513 120.570 0.150 0.000 2.433 363 I HA 0.310 4.481 4.170 0.000 0.000 0.292 363 I C -0.319 175.816 176.117 0.030 0.000 1.001 363 I CA -0.940 60.511 61.300 0.251 0.000 1.119 363 I CB 1.309 39.430 38.000 0.202 0.000 1.289 363 I HN 0.256 nan 8.210 nan 0.000 0.438 364 Y N 4.886 125.376 120.300 0.316 0.000 2.328 364 Y HA 0.369 4.919 4.550 0.000 0.000 0.337 364 Y C 0.021 176.073 175.900 0.252 0.000 0.966 364 Y CA -0.830 57.376 58.100 0.176 0.000 1.136 364 Y CB 1.767 40.185 38.460 -0.070 0.000 1.170 364 Y HN 0.173 nan 8.280 nan 0.000 0.470 365 V N 3.923 124.082 119.914 0.407 0.000 2.338 365 V HA 0.015 4.136 4.120 0.000 0.000 0.255 365 V C 0.839 177.117 176.094 0.306 0.000 1.082 365 V CA 0.203 62.740 62.300 0.393 0.000 0.951 365 V CB 0.038 32.197 31.823 0.560 0.000 1.102 365 V HN 1.027 nan 8.190 nan 0.000 0.489 366 T N 0.924 115.595 114.554 0.194 0.000 3.081 366 T HA 0.204 4.554 4.350 0.000 0.000 0.255 366 T C 0.421 175.156 174.700 0.058 0.000 1.113 366 T CA 0.231 62.340 62.100 0.014 0.000 1.082 366 T CB 0.205 68.972 68.868 -0.168 0.000 0.939 366 T HN 0.652 nan 8.240 nan 0.000 0.506 367 E N 0.697 120.934 120.200 0.060 0.000 2.321 367 E HA 0.549 4.899 4.350 0.000 0.000 0.281 367 E C -1.646 174.847 176.600 -0.178 0.000 0.910 367 E CA -0.788 55.647 56.400 0.057 0.000 0.770 367 E CB 1.777 31.498 29.700 0.034 0.000 1.225 367 E HN 0.180 nan 8.360 nan 0.000 0.417 368 N N 1.234 119.872 118.700 -0.103 0.000 2.452 368 N HA 0.665 5.405 4.740 0.000 0.000 0.277 368 N C -1.291 174.346 175.510 0.213 0.000 1.078 368 N CA -0.128 52.779 53.050 -0.238 0.000 0.947 368 N CB 2.144 40.565 38.487 -0.111 0.000 1.655 368 N HN 0.653 nan 8.380 nan 0.000 0.490 369 G N -0.055 108.835 108.800 0.149 0.000 2.320 369 G HA2 0.485 4.445 3.960 0.000 0.000 0.296 369 G HA3 0.485 4.445 3.960 0.000 0.000 0.296 369 G C -1.807 173.025 174.900 -0.112 0.000 1.306 369 G CA -0.264 44.943 45.100 0.179 0.000 0.836 369 G HN 0.606 nan 8.290 nan 0.000 0.517 370 T N -1.115 113.320 114.554 -0.198 0.000 2.853 370 T HA 0.711 5.061 4.350 0.000 0.000 0.311 370 T C 0.133 174.493 174.700 -0.567 0.000 1.307 370 T CA 0.540 62.379 62.100 -0.435 0.000 1.019 370 T CB 1.316 69.646 68.868 -0.897 0.000 1.264 370 T HN 1.709 nan 8.240 nan 0.000 0.497 371 S N 2.361 117.527 115.700 -0.890 0.000 2.730 371 S HA 0.829 5.299 4.470 0.000 0.000 0.284 371 S C -0.448 173.851 174.600 -0.502 0.000 1.153 371 S CA -0.785 56.935 58.200 -0.801 0.000 0.995 371 S CB 0.709 63.337 63.200 -0.952 0.000 1.058 371 S HN 0.673 nan 8.310 nan 0.000 0.552 372 I N 0.728 121.035 120.570 -0.438 0.000 2.466 372 I HA 0.364 4.535 4.170 0.000 0.000 0.289 372 I C -0.044 175.835 176.117 -0.397 0.000 1.026 372 I CA -0.722 60.271 61.300 -0.512 0.000 1.078 372 I CB 2.014 39.801 38.000 -0.354 0.000 1.249 372 I HN 0.712 nan 8.210 nan 0.000 0.429 373 K N 4.652 124.795 120.400 -0.428 0.000 2.472 373 K HA 0.138 4.458 4.320 0.000 0.000 0.280 373 K C 1.076 177.557 176.600 -0.200 0.000 1.028 373 K CA 1.144 57.266 56.287 -0.275 0.000 1.045 373 K CB 0.330 32.681 32.500 -0.247 0.000 0.902 373 K HN 0.948 nan 8.250 nan 0.000 0.478 374 G N 3.195 111.910 108.800 -0.142 0.000 2.168 374 G HA2 -0.341 3.619 3.960 0.000 0.000 0.257 374 G HA3 -0.341 3.619 3.960 0.000 0.000 0.257 374 G C 0.645 175.487 174.900 -0.097 0.000 0.997 374 G CA 0.768 45.808 45.100 -0.099 0.000 0.708 374 G HN 0.904 nan 8.290 nan 0.000 0.520 375 E N 0.165 120.294 120.200 -0.119 0.000 2.070 375 E HA -0.141 4.209 4.350 0.000 0.000 0.197 375 E C 2.481 179.036 176.600 -0.075 0.000 1.004 375 E CA 1.558 57.892 56.400 -0.110 0.000 0.805 375 E CB -0.287 29.341 29.700 -0.119 0.000 0.744 375 E HN 0.488 nan 8.360 nan 0.000 0.451 376 S N 0.606 116.290 115.700 -0.028 0.000 2.469 376 S HA -0.116 4.354 4.470 0.000 0.000 0.238 376 S C 0.936 175.538 174.600 0.002 0.000 0.998 376 S CA 1.036 59.250 58.200 0.023 0.000 0.957 376 S CB -0.071 63.175 63.200 0.077 0.000 0.764 376 S HN 0.311 nan 8.310 nan 0.000 0.514 377 D N 0.725 121.110 120.400 -0.025 0.000 2.349 377 D HA 0.186 4.826 4.640 0.000 0.000 0.215 377 D C 0.353 176.623 176.300 -0.050 0.000 1.016 377 D CA 0.096 54.080 54.000 -0.027 0.000 0.870 377 D CB 0.017 40.801 40.800 -0.026 0.000 0.917 377 D HN 0.335 nan 8.370 nan 0.000 0.524 378 L N 2.362 123.538 121.223 -0.078 0.000 2.452 378 L HA 0.200 4.540 4.340 0.000 0.000 0.267 378 L C -1.703 175.092 176.870 -0.124 0.000 1.188 378 L CA -1.512 53.267 54.840 -0.102 0.000 0.821 378 L CB 0.201 42.184 42.059 -0.128 0.000 1.102 378 L HN -0.126 nan 8.230 nan 0.000 0.470 379 P HA 0.015 nan 4.420 nan 0.000 0.272 379 P C 0.052 177.227 177.300 -0.208 0.000 1.240 379 P CA -0.443 62.579 63.100 -0.130 0.000 0.791 379 P CB 0.857 32.500 31.700 -0.095 0.000 0.978 380 K N 1.309 121.563 120.400 -0.243 0.000 2.020 380 K HA -0.231 4.089 4.320 0.000 0.000 0.212 380 K C 1.735 178.148 176.600 -0.313 0.000 1.050 380 K CA 2.052 58.113 56.287 -0.377 0.000 0.929 380 K CB -0.247 32.054 32.500 -0.331 0.000 0.714 380 K HN 0.380 nan 8.250 nan 0.000 0.443 381 E N 0.246 120.327 120.200 -0.197 0.000 2.097 381 E HA -0.204 4.146 4.350 0.000 0.000 0.196 381 E C 2.114 178.641 176.600 -0.122 0.000 1.000 381 E CA 1.405 57.725 56.400 -0.134 0.000 0.804 381 E CB 0.067 29.714 29.700 -0.088 0.000 0.740 381 E HN 0.220 nan 8.360 nan 0.000 0.454 382 K N 0.372 120.695 120.400 -0.129 0.000 2.097 382 K HA -0.071 4.249 4.320 0.000 0.000 0.205 382 K C 2.153 178.674 176.600 -0.132 0.000 1.050 382 K CA 0.771 56.994 56.287 -0.107 0.000 0.938 382 K CB -0.138 32.305 32.500 -0.095 0.000 0.718 382 K HN 0.241 nan 8.250 nan 0.000 0.442 383 I N 1.243 121.681 120.570 -0.220 0.000 2.226 383 I HA -0.264 3.906 4.170 0.000 0.000 0.245 383 I C 2.204 178.213 176.117 -0.179 0.000 1.100 383 I CA 1.034 62.177 61.300 -0.262 0.000 1.374 383 I CB -0.291 37.387 38.000 -0.537 0.000 1.057 383 I HN 0.051 nan 8.210 nan 0.000 0.413 384 L N 0.250 121.368 121.223 -0.174 0.000 2.201 384 L HA -0.116 4.224 4.340 0.000 0.000 0.212 384 L C 0.933 177.797 176.870 -0.010 0.000 1.105 384 L CA 1.028 55.829 54.840 -0.065 0.000 0.775 384 L CB -0.488 41.542 42.059 -0.049 0.000 0.913 384 L HN 0.244 nan 8.230 nan 0.000 0.440 385 E N 1.692 121.878 120.200 -0.023 0.000 2.110 385 E HA -0.019 4.332 4.350 0.000 0.000 0.300 385 E C -0.356 176.262 176.600 0.029 0.000 1.278 385 E CA -0.293 56.113 56.400 0.010 0.000 1.365 385 E CB -0.120 29.581 29.700 0.002 0.000 1.283 385 E HN 0.284 nan 8.360 nan 0.000 0.490 386 D N 1.063 121.495 120.400 0.054 0.000 2.845 386 D HA -0.034 4.606 4.640 0.000 0.000 0.235 386 D C 0.217 176.599 176.300 0.135 0.000 1.158 386 D CA -0.268 53.784 54.000 0.086 0.000 0.990 386 D CB 0.364 41.221 40.800 0.094 0.000 1.094 386 D HN 0.056 nan 8.370 nan 0.000 0.486 387 D N 0.244 120.716 120.400 0.120 0.000 2.182 387 D HA -0.203 4.438 4.640 0.000 0.000 0.201 387 D C 1.394 177.792 176.300 0.162 0.000 0.986 387 D CA 0.729 54.803 54.000 0.123 0.000 0.847 387 D CB -0.229 40.626 40.800 0.091 0.000 0.942 387 D HN 0.409 nan 8.370 nan 0.000 0.467 388 F N 1.485 121.461 119.950 0.044 0.000 2.134 388 F HA -0.166 4.361 4.527 0.000 0.000 0.299 388 F C 2.512 178.358 175.800 0.078 0.000 1.097 388 F CA 1.376 59.405 58.000 0.049 0.000 1.264 388 F CB 0.100 39.106 39.000 0.010 0.000 1.001 388 F HN -0.215 nan 8.300 nan 0.000 0.479 389 R N -0.099 120.599 120.500 0.330 0.000 2.073 389 R HA -0.095 4.245 4.340 0.000 0.000 0.229 389 R C 2.084 178.542 176.300 0.265 0.000 1.120 389 R CA 1.514 57.758 56.100 0.240 0.000 0.967 389 R CB -0.512 29.925 30.300 0.229 0.000 0.862 389 R HN 0.265 nan 8.270 nan 0.000 0.436 390 V N 1.663 121.727 119.914 0.249 0.000 2.282 390 V HA -0.297 3.823 4.120 0.000 0.000 0.249 390 V C 2.422 178.626 176.094 0.183 0.000 1.057 390 V CA 2.241 64.686 62.300 0.240 0.000 1.032 390 V CB -0.508 31.408 31.823 0.156 0.000 0.645 390 V HN 0.401 nan 8.190 nan 0.000 0.447 391 K N -1.201 119.255 120.400 0.094 0.000 2.097 391 K HA -0.215 4.105 4.320 0.000 0.000 0.205 391 K C 2.202 178.821 176.600 0.032 0.000 1.050 391 K CA 1.585 57.885 56.287 0.023 0.000 0.938 391 K CB -0.318 32.145 32.500 -0.062 0.000 0.718 391 K HN 0.546 nan 8.250 nan 0.000 0.442 392 Y N 0.265 120.493 120.300 -0.121 0.000 2.097 392 Y HA -0.338 4.212 4.550 0.000 0.000 0.282 392 Y C 1.748 177.635 175.900 -0.022 0.000 1.152 392 Y CA 2.060 60.082 58.100 -0.130 0.000 1.136 392 Y CB -0.403 37.877 38.460 -0.300 0.000 0.975 392 Y HN 0.106 nan 8.280 nan 0.000 0.498 393 Y N 0.201 120.701 120.300 0.332 0.000 2.128 393 Y HA -0.330 4.220 4.550 0.000 0.000 0.284 393 Y C 2.839 178.778 175.900 0.065 0.000 1.154 393 Y CA 1.552 59.796 58.100 0.240 0.000 1.149 393 Y CB -0.664 37.945 38.460 0.249 0.000 0.976 393 Y HN 0.273 nan 8.280 nan 0.000 0.505 394 N N 0.755 119.554 118.700 0.166 0.000 2.036 394 N HA -0.229 4.512 4.740 0.000 0.000 0.195 394 N C 1.510 177.018 175.510 -0.003 0.000 1.037 394 N CA 1.957 55.021 53.050 0.024 0.000 0.855 394 N CB -0.126 38.365 38.487 0.006 0.000 1.033 394 N HN 0.515 nan 8.380 nan 0.000 0.423 395 E N -0.923 119.288 120.200 0.017 0.000 2.072 395 E HA -0.160 4.190 4.350 0.000 0.000 0.191 395 E C 1.892 178.490 176.600 -0.004 0.000 0.985 395 E CA 0.862 57.250 56.400 -0.020 0.000 0.801 395 E CB -0.200 29.473 29.700 -0.044 0.000 0.750 395 E HN 0.519 nan 8.360 nan 0.000 0.452 396 Y N 0.754 120.993 120.300 -0.103 0.000 2.200 396 Y HA -0.145 4.405 4.550 0.000 0.000 0.290 396 Y C 2.256 178.283 175.900 0.212 0.000 1.137 396 Y CA 0.755 58.896 58.100 0.068 0.000 1.163 396 Y CB 0.015 38.405 38.460 -0.116 0.000 0.988 396 Y HN -0.016 nan 8.280 nan 0.000 0.518 397 I N -0.292 120.377 120.570 0.166 0.000 2.226 397 I HA -0.316 3.854 4.170 0.000 0.000 0.245 397 I C 2.247 178.287 176.117 -0.128 0.000 1.100 397 I CA 1.359 62.603 61.300 -0.094 0.000 1.374 397 I CB -0.288 37.473 38.000 -0.399 0.000 1.057 397 I HN 0.142 nan 8.210 nan 0.000 0.413 398 R N 0.511 120.943 120.500 -0.114 0.000 2.115 398 R HA -0.098 4.242 4.340 0.000 0.000 0.230 398 R C 2.390 178.619 176.300 -0.118 0.000 1.111 398 R CA 1.285 57.307 56.100 -0.130 0.000 0.976 398 R CB -0.389 29.843 30.300 -0.115 0.000 0.870 398 R HN 0.362 nan 8.270 nan 0.000 0.445 399 A N 1.265 124.029 122.820 -0.094 0.000 1.898 399 A HA -0.169 4.151 4.320 0.000 0.000 0.216 399 A C 2.134 179.580 177.584 -0.231 0.000 1.181 399 A CA 1.187 53.140 52.037 -0.139 0.000 0.620 399 A CB -0.422 18.500 19.000 -0.129 0.000 0.819 399 A HN 0.304 nan 8.150 nan 0.000 0.442 400 M N -0.127 119.319 119.600 -0.257 0.000 2.108 400 M HA -0.140 4.340 4.480 0.000 0.000 0.261 400 M C 1.861 178.035 176.300 -0.211 0.000 1.066 400 M CA 2.055 57.135 55.300 -0.367 0.000 1.107 400 M CB -0.262 32.228 32.600 -0.183 0.000 1.356 400 M HN 0.188 nan 8.290 nan 0.000 0.406 401 V N 0.541 120.350 119.914 -0.176 0.000 2.392 401 V HA -0.277 3.843 4.120 0.000 0.000 0.249 401 V C 2.287 178.302 176.094 -0.131 0.000 1.059 401 V CA 2.363 64.565 62.300 -0.162 0.000 1.051 401 V CB -1.311 30.404 31.823 -0.179 0.000 0.658 401 V HN 0.597 nan 8.190 nan 0.000 0.455 402 T N 0.400 114.874 114.554 -0.133 0.000 2.746 402 T HA -0.159 4.191 4.350 0.000 0.000 0.267 402 T C 2.085 176.723 174.700 -0.103 0.000 1.039 402 T CA 1.610 63.645 62.100 -0.109 0.000 1.142 402 T CB -0.448 68.356 68.868 -0.107 0.000 0.866 402 T HN 0.583 nan 8.240 nan 0.000 0.444 403 A N 0.965 123.702 122.820 -0.138 0.000 1.902 403 A HA -0.056 4.264 4.320 0.000 0.000 0.217 403 A C 2.587 180.133 177.584 -0.063 0.000 1.181 403 A CA 1.389 53.355 52.037 -0.119 0.000 0.623 403 A CB -1.011 17.876 19.000 -0.188 0.000 0.818 403 A HN 0.357 nan 8.150 nan 0.000 0.443 404 V N 0.007 119.882 119.914 -0.065 0.000 2.270 404 V HA -0.260 3.860 4.120 0.000 0.000 0.245 404 V C 2.449 178.531 176.094 -0.020 0.000 1.043 404 V CA 2.317 64.603 62.300 -0.023 0.000 1.014 404 V CB -0.841 30.964 31.823 -0.030 0.000 0.645 404 V HN 0.637 nan 8.190 nan 0.000 0.447 405 E N -0.219 119.954 120.200 -0.044 0.000 2.072 405 E HA -0.120 4.230 4.350 0.000 0.000 0.191 405 E C 2.163 178.745 176.600 -0.030 0.000 0.985 405 E CA 1.247 57.623 56.400 -0.039 0.000 0.801 405 E CB -0.057 29.611 29.700 -0.054 0.000 0.750 405 E HN 0.501 nan 8.360 nan 0.000 0.452 406 L N 0.373 121.577 121.223 -0.032 0.000 2.269 406 L HA 0.013 4.353 4.340 0.000 0.000 0.200 406 L C 1.634 178.499 176.870 -0.008 0.000 1.069 406 L CA 0.528 55.354 54.840 -0.024 0.000 0.804 406 L CB -0.024 42.016 42.059 -0.031 0.000 0.987 406 L HN -0.018 nan 8.230 nan 0.000 0.468 407 D N 0.316 120.716 120.400 -0.000 0.000 2.349 407 D HA 0.037 4.677 4.640 0.000 0.000 0.215 407 D C 1.332 177.692 176.300 0.100 0.000 1.016 407 D CA 1.015 55.038 54.000 0.039 0.000 0.870 407 D CB 0.559 41.371 40.800 0.020 0.000 0.917 407 D HN 0.413 nan 8.370 nan 0.000 0.524 408 G N 1.444 110.281 108.800 0.061 0.000 2.160 408 G HA2 -0.291 3.669 3.960 0.000 0.000 0.251 408 G HA3 -0.291 3.669 3.960 0.000 0.000 0.251 408 G C 0.454 175.464 174.900 0.184 0.000 1.008 408 G CA 0.145 45.288 45.100 0.073 0.000 0.724 408 G HN 0.269 nan 8.290 nan 0.000 0.514 409 V N 0.515 120.523 119.914 0.156 0.000 2.637 409 V HA 0.237 4.357 4.120 0.000 0.000 0.296 409 V C 0.976 177.146 176.094 0.127 0.000 1.046 409 V CA 0.082 62.468 62.300 0.144 0.000 1.066 409 V CB 1.509 33.341 31.823 0.015 0.000 0.968 409 V HN 0.419 nan 8.190 nan 0.000 0.483 410 N N 4.527 123.315 118.700 0.146 0.000 3.034 410 N HA 0.154 4.895 4.740 0.000 0.000 0.265 410 N C -0.684 174.881 175.510 0.091 0.000 1.166 410 N CA -0.133 52.992 53.050 0.124 0.000 1.081 410 N CB 0.238 38.809 38.487 0.140 0.000 1.378 410 N HN 0.429 nan 8.380 nan 0.000 0.520 411 V N 3.757 123.743 119.914 0.120 0.000 2.432 411 V HA 0.182 4.302 4.120 0.000 0.000 0.271 411 V C 1.261 177.421 176.094 0.111 0.000 1.046 411 V CA -0.260 62.125 62.300 0.141 0.000 0.945 411 V CB 1.325 33.319 31.823 0.285 0.000 0.992 411 V HN 0.419 nan 8.190 nan 0.000 0.471 412 K N 3.031 123.261 120.400 -0.284 0.000 2.348 412 K HA 0.340 4.660 4.320 0.000 0.000 0.194 412 K C 0.692 176.727 176.600 -0.942 0.000 1.052 412 K CA 0.645 56.596 56.287 -0.560 0.000 1.004 412 K CB 1.195 33.141 32.500 -0.924 0.000 0.873 412 K HN 0.822 nan 8.250 nan 0.000 0.523 413 G N 0.050 108.306 108.800 -0.908 0.000 2.601 413 G HA2 0.436 4.396 3.960 0.000 0.000 0.291 413 G HA3 0.436 4.396 3.960 0.000 0.000 0.291 413 G C -2.272 172.505 174.900 -0.205 0.000 1.456 413 G CA -0.567 44.061 45.100 -0.786 0.000 0.804 413 G HN 0.014 nan 8.290 nan 0.000 0.499 414 Y N 0.032 120.126 120.300 -0.342 0.000 2.441 414 Y HA 0.724 5.274 4.550 0.000 0.000 0.334 414 Y C -1.911 173.844 175.900 -0.242 0.000 1.061 414 Y CA -1.395 56.740 58.100 0.057 0.000 1.032 414 Y CB 1.747 40.478 38.460 0.451 0.000 1.266 414 Y HN 0.449 nan 8.280 nan 0.000 0.441 415 F N 4.904 124.659 119.950 -0.326 0.000 2.477 415 F HA 0.728 5.255 4.527 0.000 0.000 0.335 415 F C 0.168 175.811 175.800 -0.263 0.000 1.130 415 F CA -0.888 56.992 58.000 -0.200 0.000 0.948 415 F CB 1.832 40.783 39.000 -0.082 0.000 1.154 415 F HN 0.685 nan 8.300 nan 0.000 0.439 416 A N 4.381 127.242 122.820 0.068 0.000 2.409 416 A HA 0.168 4.488 4.320 0.000 0.000 0.267 416 A C -0.901 176.979 177.584 0.494 0.000 1.127 416 A CA -0.413 51.793 52.037 0.281 0.000 0.795 416 A CB 0.269 19.355 19.000 0.143 0.000 1.061 416 A HN 0.887 nan 8.150 nan 0.000 0.502 417 W N 3.912 125.439 121.300 0.378 0.000 2.316 417 W HA 0.520 5.180 4.660 0.000 0.000 0.308 417 W C -0.505 176.310 176.519 0.493 0.000 1.106 417 W CA -0.107 57.455 57.345 0.363 0.000 1.262 417 W CB 1.405 31.031 29.460 0.277 0.000 1.233 417 W HN 0.677 nan 8.180 nan 0.000 0.447 418 S N 4.247 119.951 115.700 0.006 0.000 2.627 418 S HA 0.281 4.751 4.470 0.000 0.000 0.283 418 S C 0.368 174.942 174.600 -0.042 0.000 1.127 418 S CA -0.721 57.221 58.200 -0.431 0.000 0.863 418 S CB 1.535 63.992 63.200 -1.237 0.000 1.121 418 S HN 0.522 nan 8.310 nan 0.000 0.479 419 L N 2.501 123.699 121.223 -0.042 0.000 2.079 419 L HA 0.195 4.535 4.340 0.000 0.000 0.210 419 L C 0.577 177.340 176.870 -0.178 0.000 1.081 419 L CA 2.004 56.754 54.840 -0.149 0.000 0.752 419 L CB -0.600 41.423 42.059 -0.060 0.000 0.896 419 L HN 0.804 nan 8.230 nan 0.000 0.433 420 M N -3.165 116.351 119.600 -0.139 0.000 2.569 420 M HA 0.432 4.912 4.480 0.000 0.000 0.279 420 M C -1.097 175.181 176.300 -0.037 0.000 1.253 420 M CA -1.032 54.217 55.300 -0.084 0.000 0.867 420 M CB 1.142 33.685 32.600 -0.095 0.000 1.727 420 M HN -0.332 nan 8.290 nan 0.000 0.467 421 D N 2.715 123.139 120.400 0.040 0.000 2.478 421 D HA 0.271 4.911 4.640 0.000 0.000 0.234 421 D C -0.655 175.776 176.300 0.218 0.000 1.154 421 D CA 0.922 55.011 54.000 0.149 0.000 0.874 421 D CB 0.300 41.206 40.800 0.176 0.000 1.198 421 D HN 0.826 nan 8.370 nan 0.000 0.455 422 N N -0.791 118.080 118.700 0.286 0.000 3.364 422 N HA 0.260 5.000 4.740 0.000 0.000 0.294 422 N C -1.416 174.175 175.510 0.134 0.000 1.562 422 N CA -0.920 52.288 53.050 0.263 0.000 0.862 422 N CB 0.200 38.714 38.487 0.046 0.000 1.691 422 N HN 0.216 nan 8.380 nan 0.000 0.572 423 F N 0.899 120.663 119.950 -0.310 0.000 2.487 423 F HA 0.288 4.815 4.527 0.000 0.000 0.364 423 F C 0.626 176.012 175.800 -0.689 0.000 1.126 423 F CA -0.312 57.164 58.000 -0.874 0.000 1.135 423 F CB 0.462 38.900 39.000 -0.936 0.000 1.127 423 F HN 0.632 nan 8.300 nan 0.000 0.559 424 E N 7.334 127.024 120.200 -0.850 0.000 2.325 424 E HA 0.183 4.533 4.350 0.000 0.000 0.295 424 E C -0.269 175.958 176.600 -0.622 0.000 1.461 424 E CA -0.108 55.967 56.400 -0.541 0.000 1.698 424 E CB -0.523 29.184 29.700 0.012 0.000 1.496 424 E HN 0.718 nan 8.360 nan 0.000 0.474 425 W N 0.732 121.455 121.300 -0.961 0.000 2.152 425 W HA -0.469 4.191 4.660 0.000 0.000 0.285 425 W C 1.759 178.091 176.519 -0.311 0.000 1.275 425 W CA 0.862 57.788 57.345 -0.698 0.000 1.220 425 W CB -1.673 27.459 29.460 -0.546 0.000 0.889 425 W HN 0.308 nan 8.180 nan 0.000 0.529 426 A N -0.027 123.110 122.820 0.529 0.000 2.172 426 A HA -0.083 4.237 4.320 0.000 0.000 0.216 426 A C 1.317 179.051 177.584 0.250 0.000 1.154 426 A CA 2.214 54.558 52.037 0.512 0.000 0.701 426 A CB -0.702 18.713 19.000 0.691 0.000 0.789 426 A HN 0.518 nan 8.150 nan 0.000 0.465 427 D N -0.790 119.700 120.400 0.150 0.000 2.277 427 D HA 0.307 4.947 4.640 0.000 0.000 0.208 427 D C 1.514 177.776 176.300 -0.063 0.000 0.962 427 D CA 1.262 55.308 54.000 0.078 0.000 0.865 427 D CB -0.064 40.809 40.800 0.122 0.000 0.939 427 D HN 0.595 nan 8.370 nan 0.000 0.510 428 G N 0.299 108.903 108.800 -0.327 0.000 2.562 428 G HA2 -0.349 3.611 3.960 0.000 0.000 0.250 428 G HA3 -0.349 3.611 3.960 0.000 0.000 0.250 428 G C 0.283 174.896 174.900 -0.478 0.000 1.269 428 G CA 0.088 44.929 45.100 -0.433 0.000 0.919 428 G HN 0.264 nan 8.290 nan 0.000 0.574 429 Y N 0.134 120.399 120.300 -0.058 0.000 2.490 429 Y HA 0.268 4.818 4.550 0.000 0.000 0.281 429 Y C 2.778 178.712 175.900 0.056 0.000 1.174 429 Y CA 0.821 58.889 58.100 -0.054 0.000 1.295 429 Y CB 0.030 38.326 38.460 -0.272 0.000 1.062 429 Y HN 0.310 nan 8.280 nan 0.000 0.522 430 V N -0.887 119.113 119.914 0.143 0.000 2.427 430 V HA -0.195 3.925 4.120 0.000 0.000 0.248 430 V C 0.955 177.106 176.094 0.096 0.000 1.051 430 V CA 1.530 63.905 62.300 0.124 0.000 1.048 430 V CB -0.628 31.244 31.823 0.083 0.000 0.666 430 V HN 0.220 nan 8.190 nan 0.000 0.456 431 T N 2.676 117.278 114.554 0.079 0.000 2.729 431 T HA 0.370 4.721 4.350 0.000 0.000 0.296 431 T C 0.057 174.820 174.700 0.105 0.000 0.928 431 T CA -0.125 62.005 62.100 0.051 0.000 1.045 431 T CB 0.306 69.236 68.868 0.103 0.000 0.902 431 T HN 0.314 nan 8.240 nan 0.000 0.500 432 R N 2.368 122.879 120.500 0.018 0.000 2.338 432 R HA 0.399 4.739 4.340 0.000 0.000 0.317 432 R C -0.397 175.882 176.300 -0.034 0.000 0.968 432 R CA -0.502 55.654 56.100 0.093 0.000 0.849 432 R CB 0.974 31.338 30.300 0.108 0.000 1.128 432 R HN 0.592 nan 8.270 nan 0.000 0.448 433 F N 0.150 120.184 119.950 0.139 0.000 2.682 433 F HA 0.256 4.783 4.527 0.000 0.000 0.308 433 F C 1.437 177.305 175.800 0.113 0.000 1.093 433 F CA -0.345 57.758 58.000 0.171 0.000 1.244 433 F CB 1.089 40.306 39.000 0.361 0.000 1.052 433 F HN 0.629 nan 8.300 nan 0.000 0.573 434 G N 0.396 109.323 108.800 0.213 0.000 2.467 434 G HA2 0.335 4.296 3.960 0.000 0.000 0.257 434 G HA3 0.335 4.296 3.960 0.000 0.000 0.257 434 G C 1.027 176.033 174.900 0.176 0.000 1.227 434 G CA 0.011 45.192 45.100 0.135 0.000 0.835 434 G HN 0.142 nan 8.290 nan 0.000 0.556 435 V N -0.586 119.428 119.914 0.167 0.000 3.306 435 V HA 0.207 4.328 4.120 0.000 0.000 0.264 435 V C 0.830 176.976 176.094 0.086 0.000 1.149 435 V CA 0.898 63.304 62.300 0.176 0.000 1.143 435 V CB -0.731 31.221 31.823 0.215 0.000 0.767 435 V HN 0.428 nan 8.190 nan 0.000 0.476 436 T N 1.098 115.675 114.554 0.039 0.000 2.792 436 T HA 0.427 4.777 4.350 0.000 0.000 0.280 436 T C -0.949 173.812 174.700 0.102 0.000 0.990 436 T CA -0.239 61.884 62.100 0.039 0.000 0.960 436 T CB 1.339 70.167 68.868 -0.067 0.000 0.939 436 T HN 0.423 nan 8.240 nan 0.000 0.439 437 Y N 3.527 123.844 120.300 0.028 0.000 2.425 437 Y HA 0.466 5.016 4.550 0.000 0.000 0.331 437 Y C -0.651 175.243 175.900 -0.011 0.000 1.157 437 Y CA -0.364 57.741 58.100 0.008 0.000 1.372 437 Y CB 0.536 39.004 38.460 0.013 0.000 1.253 437 Y HN 0.334 nan 8.280 nan 0.000 0.536 438 V N 6.574 126.102 119.914 -0.643 0.000 2.407 438 V HA 0.110 4.230 4.120 0.000 0.000 0.291 438 V C -0.785 174.539 176.094 -1.283 0.000 1.018 438 V CA -0.902 60.909 62.300 -0.816 0.000 0.842 438 V CB 1.484 32.919 31.823 -0.647 0.000 0.996 438 V HN 0.733 nan 8.190 nan 0.000 0.426 439 D N 3.825 123.635 120.400 -0.983 0.000 2.441 439 D HA 0.193 4.834 4.640 0.000 0.000 0.221 439 D C 0.568 176.632 176.300 -0.394 0.000 1.156 439 D CA -0.149 53.453 54.000 -0.663 0.000 0.896 439 D CB 0.670 41.284 40.800 -0.310 0.000 1.028 439 D HN 0.492 nan 8.370 nan 0.000 0.509 440 Y N 1.521 121.707 120.300 -0.189 0.000 2.352 440 Y HA -0.086 4.464 4.550 0.000 0.000 0.292 440 Y C 2.082 177.900 175.900 -0.137 0.000 1.136 440 Y CA 0.602 58.586 58.100 -0.194 0.000 1.227 440 Y CB 0.052 38.344 38.460 -0.280 0.000 0.991 440 Y HN 0.381 nan 8.280 nan 0.000 0.545 441 E N 0.067 120.292 120.200 0.041 0.000 2.285 441 E HA -0.074 4.276 4.350 0.000 0.000 0.194 441 E C -0.023 176.577 176.600 0.000 0.000 0.997 441 E CA 0.624 57.037 56.400 0.021 0.000 0.845 441 E CB -0.429 29.290 29.700 0.032 0.000 0.782 441 E HN 0.567 nan 8.360 nan 0.000 0.491 442 N N -0.188 118.503 118.700 -0.015 0.000 2.914 442 N HA 0.291 5.032 4.740 0.000 0.000 0.304 442 N C -0.002 175.489 175.510 -0.032 0.000 1.727 442 N CA 0.235 53.280 53.050 -0.010 0.000 0.986 442 N CB 1.372 39.871 38.487 0.020 0.000 1.297 442 N HN 0.052 nan 8.380 nan 0.000 0.490 443 G N 1.453 110.230 108.800 -0.038 0.000 2.249 443 G HA2 -0.380 3.581 3.960 0.000 0.000 0.273 443 G HA3 -0.380 3.581 3.960 0.000 0.000 0.273 443 G C 0.236 175.089 174.900 -0.077 0.000 1.036 443 G CA 0.245 45.315 45.100 -0.051 0.000 0.824 443 G HN 0.515 nan 8.290 nan 0.000 0.504 444 Q N -2.096 117.647 119.800 -0.095 0.000 2.481 444 Q HA -0.212 4.128 4.340 0.000 0.000 0.272 444 Q C 0.787 176.668 176.000 -0.198 0.000 1.157 444 Q CA 1.877 57.588 55.803 -0.153 0.000 0.935 444 Q CB -1.282 27.409 28.738 -0.079 0.000 1.338 444 Q HN 0.934 nan 8.270 nan 0.000 0.494 445 K N 0.937 121.231 120.400 -0.178 0.000 2.448 445 K HA 0.220 4.541 4.320 0.000 0.000 0.278 445 K C -0.304 176.127 176.600 -0.281 0.000 1.009 445 K CA -0.017 56.142 56.287 -0.215 0.000 0.995 445 K CB 0.501 32.915 32.500 -0.143 0.000 0.917 445 K HN 0.053 nan 8.250 nan 0.000 0.481 446 R N 2.579 122.852 120.500 -0.379 0.000 2.486 446 R HA 0.405 4.745 4.340 0.000 0.000 0.286 446 R C -1.100 174.909 176.300 -0.485 0.000 0.999 446 R CA -0.160 55.756 56.100 -0.307 0.000 0.993 446 R CB 0.764 30.924 30.300 -0.233 0.000 1.084 446 R HN 0.417 nan 8.270 nan 0.000 0.487 447 F N 2.376 122.284 119.950 -0.069 0.000 2.730 447 F HA 0.338 4.865 4.527 0.000 0.000 0.335 447 F C -2.157 173.667 175.800 0.040 0.000 1.212 447 F CA -2.344 55.667 58.000 0.020 0.000 1.016 447 F CB 2.072 41.148 39.000 0.127 0.000 1.290 447 F HN 0.314 nan 8.300 nan 0.000 0.495 448 P HA 0.081 nan 4.420 nan 0.000 0.264 448 P C -0.547 176.834 177.300 0.135 0.000 1.193 448 P CA -0.046 63.113 63.100 0.098 0.000 0.763 448 P CB 0.658 32.388 31.700 0.050 0.000 0.810 449 K N 2.239 122.713 120.400 0.124 0.000 2.102 449 K HA 0.170 4.491 4.320 0.000 0.000 0.244 449 K C 1.449 178.116 176.600 0.111 0.000 1.021 449 K CA -0.657 55.698 56.287 0.114 0.000 0.913 449 K CB 0.651 33.222 32.500 0.118 0.000 1.062 449 K HN 0.284 nan 8.250 nan 0.000 0.485 450 K N 0.931 121.392 120.400 0.101 0.000 2.074 450 K HA -0.207 4.113 4.320 0.000 0.000 0.209 450 K C 1.944 178.624 176.600 0.134 0.000 1.048 450 K CA 2.210 58.559 56.287 0.103 0.000 0.926 450 K CB -0.122 32.430 32.500 0.088 0.000 0.713 450 K HN 0.666 nan 8.250 nan 0.000 0.444 451 S N 0.178 115.983 115.700 0.174 0.000 2.399 451 S HA -0.129 4.341 4.470 0.000 0.000 0.231 451 S C 2.148 176.882 174.600 0.225 0.000 1.022 451 S CA 0.967 59.309 58.200 0.236 0.000 0.983 451 S CB -0.360 63.050 63.200 0.349 0.000 0.803 451 S HN 0.397 nan 8.310 nan 0.000 0.480 452 A N 2.641 125.582 122.820 0.201 0.000 1.908 452 A HA -0.093 4.227 4.320 0.000 0.000 0.218 452 A C 2.211 179.938 177.584 0.239 0.000 1.181 452 A CA 1.625 53.786 52.037 0.207 0.000 0.627 452 A CB -0.549 18.497 19.000 0.078 0.000 0.818 452 A HN 0.674 nan 8.150 nan 0.000 0.445 453 K N 0.374 120.875 120.400 0.168 0.000 2.418 453 K HA -0.010 4.310 4.320 0.000 0.000 0.195 453 K C 1.919 178.597 176.600 0.130 0.000 1.035 453 K CA 1.030 57.407 56.287 0.150 0.000 1.003 453 K CB -0.023 32.542 32.500 0.108 0.000 0.793 453 K HN 0.606 nan 8.250 nan 0.000 0.494 454 S N 0.616 116.387 115.700 0.118 0.000 2.496 454 S HA 0.057 4.527 4.470 0.000 0.000 0.224 454 S C 1.857 176.447 174.600 -0.016 0.000 0.996 454 S CA 0.158 58.393 58.200 0.060 0.000 0.927 454 S CB -0.223 63.024 63.200 0.079 0.000 0.774 454 S HN 0.164 nan 8.310 nan 0.000 0.524 455 L N 0.938 122.156 121.223 -0.008 0.000 2.095 455 L HA 0.119 4.459 4.340 0.000 0.000 0.204 455 L C 2.820 179.472 176.870 -0.363 0.000 1.080 455 L CA 1.240 55.943 54.840 -0.228 0.000 0.759 455 L CB -0.486 41.444 42.059 -0.214 0.000 0.914 455 L HN 0.310 nan 8.230 nan 0.000 0.439 456 K N 0.652 121.007 120.400 -0.075 0.000 2.009 456 K HA -0.169 4.152 4.320 0.000 0.000 0.210 456 K C -0.530 176.080 176.600 0.016 0.000 1.049 456 K CA 1.626 57.968 56.287 0.092 0.000 0.929 456 K CB -0.759 31.956 32.500 0.359 0.000 0.714 456 K HN 0.154 nan 8.250 nan 0.000 0.440 457 P HA -0.139 nan 4.420 nan 0.000 0.218 457 P C 1.335 178.577 177.300 -0.096 0.000 1.149 457 P CA 0.771 63.860 63.100 -0.018 0.000 0.817 457 P CB -0.001 31.694 31.700 -0.009 0.000 0.785 458 L N -1.221 119.883 121.223 -0.198 0.000 1.994 458 L HA -0.082 4.258 4.340 0.000 0.000 0.208 458 L C 2.163 178.778 176.870 -0.426 0.000 1.071 458 L CA 1.960 56.594 54.840 -0.342 0.000 0.745 458 L CB -1.506 40.267 42.059 -0.478 0.000 0.892 458 L HN -0.184 nan 8.230 nan 0.000 0.431 459 F N 0.068 119.778 119.950 -0.399 0.000 2.293 459 F HA -0.155 4.372 4.527 0.000 0.000 0.300 459 F C 2.230 177.932 175.800 -0.164 0.000 1.086 459 F CA 1.195 58.961 58.000 -0.390 0.000 1.375 459 F CB -0.709 37.813 39.000 -0.795 0.000 1.045 459 F HN 0.200 nan 8.300 nan 0.000 0.516 460 D N 0.052 120.491 120.400 0.064 0.000 2.219 460 D HA -0.127 4.514 4.640 0.000 0.000 0.205 460 D C 2.027 178.342 176.300 0.025 0.000 0.970 460 D CA 0.982 55.031 54.000 0.081 0.000 0.851 460 D CB -0.225 40.625 40.800 0.083 0.000 0.943 460 D HN 0.403 nan 8.370 nan 0.000 0.488 461 E N -0.143 120.037 120.200 -0.032 0.000 2.107 461 E HA -0.034 4.316 4.350 0.000 0.000 0.191 461 E C 2.209 178.774 176.600 -0.060 0.000 0.982 461 E CA 0.415 56.783 56.400 -0.053 0.000 0.809 461 E CB 0.127 29.774 29.700 -0.089 0.000 0.756 461 E HN 0.261 nan 8.360 nan 0.000 0.459 462 L N 0.728 121.900 121.223 -0.085 0.000 2.102 462 L HA 0.051 4.391 4.340 0.000 0.000 0.202 462 L C 1.152 177.993 176.870 -0.049 0.000 1.076 462 L CA 0.262 55.042 54.840 -0.101 0.000 0.761 462 L CB -0.093 41.854 42.059 -0.186 0.000 0.921 462 L HN 0.022 nan 8.230 nan 0.000 0.444 463 I N 1.066 121.648 120.570 0.020 0.000 2.517 463 I HA 0.069 4.239 4.170 0.000 0.000 0.285 463 I C 0.828 176.979 176.117 0.056 0.000 1.106 463 I CA -0.424 60.913 61.300 0.062 0.000 1.402 463 I CB 0.662 38.762 38.000 0.167 0.000 1.399 463 I HN 0.071 nan 8.210 nan 0.000 0.535 464 A N 5.458 128.305 122.820 0.045 0.000 2.409 464 A HA 0.611 4.931 4.320 0.000 0.000 0.246 464 A C 0.783 178.396 177.584 0.050 0.000 1.099 464 A CA 0.364 52.423 52.037 0.037 0.000 0.789 464 A CB 0.091 19.110 19.000 0.031 0.000 1.053 464 A HN 1.451 nan 8.150 nan 0.000 0.503 465 A N 0.000 122.843 122.820 0.038 0.000 2.254 465 A HA 0.000 4.320 4.320 0.000 0.000 0.244 465 A CA 0.000 52.060 52.037 0.038 0.000 0.836 465 A CB 0.000 19.025 19.000 0.041 0.000 0.831 465 A HN 0.000 nan 8.150 nan 0.000 0.486