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 1uaa_1_A DATA FIRST_RESID 2 DATA SEQUENCE RLNPGQQQAV EFVTGPCLVL AGAGSGKTRV ITNKIAHLIR GCGYQARHIA DATA SEQUENCE AVTFTNKAAR EMKERVGQTL GRKEARGLMI STFHTLGLDI IKREYAALGM DATA SEQUENCE KANFSLFDDT DQLALLKELT EGLIEDDKVL LQQLISTISN WKNDLKTPSQ DATA SEQUENCE AAASAIGERD RIFAHCYGLY DAHLKACNVL DFDDLILLPT LLLQANEEVR DATA SEQUENCE KRWQNKIRYL LVDEYQDTNT SQYELVKLLV GSRARFTVVG DDDQSIYSWR DATA SEQUENCE GARPQNLVLL SQDFPALKVI KLEQNYRSSG RILKAANILI ANNPHVFEKR DATA SEQUENCE LFSELGYGAE LKVLSANNEE HEAERVTGEL IAHHFVNKTQ YKDYAILYRG DATA SEQUENCE NHQSRVFEKF LMQNRIPYKI SGGTSFFSRP EIKDLLAYLR VLTNPDDDSA DATA SEQUENCE FLRIVNTPKR EIGPATLKKL GEWAMTRNKS MFTASFDMGL SQTLSGRGYE DATA SEQUENCE ALTRFTHWLA EIQRLAEREP IAAVRDLIHG MDYESWLYET SPSPKAAEMR DATA SEQUENCE MKNVNQLFSW MTEMLEGSEL DEPMTLTQVV TRFTLRDMME RXXXEEELDQ DATA SEQUENCE VQLMTLHASK GLEFPYVYMV GMEEGFLPHQ SSIDEDNIDE ERRLAYVGIT DATA SEQUENCE RAQKELTFTL CKERRQYGEL VRPEPSRFLL ELPQDDLIW 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.298 176.300 -0.003 0.000 0.893 2 R CA 0.000 56.102 56.100 0.004 0.000 0.921 2 R CB 0.000 30.305 30.300 0.009 0.000 0.687 3 L N 2.911 124.132 121.223 -0.004 0.000 2.322 3 L HA 0.513 4.853 4.340 -0.001 0.000 0.279 3 L C 0.555 177.438 176.870 0.022 0.000 1.036 3 L CA -0.571 54.261 54.840 -0.013 0.000 0.807 3 L CB 1.661 43.705 42.059 -0.024 0.000 1.226 3 L HN 0.958 nan 8.230 nan 0.000 0.433 4 N N 4.029 122.763 118.700 0.058 0.000 2.492 4 N HA 0.057 4.796 4.740 -0.001 0.000 0.260 4 N C -2.142 173.396 175.510 0.047 0.000 1.215 4 N CA -0.980 52.124 53.050 0.089 0.000 0.923 4 N CB 0.754 39.344 38.487 0.172 0.000 1.092 4 N HN 0.449 nan 8.380 nan 0.000 0.448 5 P HA -0.255 nan 4.420 nan 0.000 0.221 5 P C 1.490 178.800 177.300 0.016 0.000 1.160 5 P CA 2.512 65.627 63.100 0.024 0.000 0.933 5 P CB -0.286 31.433 31.700 0.031 0.000 0.793 6 G N -0.664 108.147 108.800 0.019 0.000 2.586 6 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.218 6 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.218 6 G C 1.464 176.362 174.900 -0.004 0.000 1.216 6 G CA 1.448 46.552 45.100 0.006 0.000 0.786 6 G HN 0.344 nan 8.290 nan 0.000 0.583 7 Q N -0.253 119.546 119.800 -0.001 0.000 2.012 7 Q HA -0.251 4.088 4.340 -0.001 0.000 0.211 7 Q C 2.778 178.760 176.000 -0.031 0.000 1.009 7 Q CA 1.942 57.734 55.803 -0.017 0.000 0.866 7 Q CB -0.389 28.343 28.738 -0.010 0.000 0.945 7 Q HN 0.596 nan 8.270 nan 0.000 0.414 8 Q N 0.449 120.235 119.800 -0.024 0.000 2.029 8 Q HA -0.305 4.035 4.340 -0.001 0.000 0.209 8 Q C 2.228 178.202 176.000 -0.044 0.000 0.999 8 Q CA 1.999 57.779 55.803 -0.037 0.000 0.857 8 Q CB -0.271 28.455 28.738 -0.019 0.000 0.926 8 Q HN 0.434 nan 8.270 nan 0.000 0.415 9 Q N -0.258 119.531 119.800 -0.018 0.000 2.181 9 Q HA -0.183 4.157 4.340 -0.001 0.000 0.205 9 Q C 1.913 177.929 176.000 0.028 0.000 0.980 9 Q CA 1.195 56.998 55.803 -0.000 0.000 0.862 9 Q CB -0.087 28.660 28.738 0.015 0.000 0.905 9 Q HN 0.403 nan 8.270 nan 0.000 0.429 10 A N -0.195 122.625 122.820 -0.001 0.000 1.877 10 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 10 A C 2.149 179.711 177.584 -0.038 0.000 1.186 10 A CA 1.742 53.771 52.037 -0.012 0.000 0.620 10 A CB -0.768 18.206 19.000 -0.042 0.000 0.822 10 A HN 0.314 nan 8.150 nan 0.000 0.443 11 V N 1.077 120.933 119.914 -0.097 0.000 2.358 11 V HA -0.242 3.877 4.120 -0.001 0.000 0.246 11 V C 2.345 178.235 176.094 -0.341 0.000 1.047 11 V CA 1.973 64.143 62.300 -0.217 0.000 1.035 11 V CB -1.239 30.432 31.823 -0.253 0.000 0.658 11 V HN 0.733 nan 8.190 nan 0.000 0.452 12 E N 0.200 120.270 120.200 -0.215 0.000 2.152 12 E HA -0.143 4.207 4.350 -0.001 0.000 0.192 12 E C 1.058 177.674 176.600 0.027 0.000 0.983 12 E CA 0.431 56.748 56.400 -0.139 0.000 0.818 12 E CB -0.309 29.360 29.700 -0.052 0.000 0.758 12 E HN 0.503 nan 8.360 nan 0.000 0.467 13 F N 3.444 123.334 119.950 -0.101 0.000 2.502 13 F HA 0.071 4.598 4.527 -0.001 0.000 0.361 13 F C 0.625 176.387 175.800 -0.064 0.000 1.157 13 F CA -0.966 56.993 58.000 -0.068 0.000 1.096 13 F CB 0.442 39.398 39.000 -0.073 0.000 1.141 13 F HN -0.179 nan 8.300 nan 0.000 0.579 14 V N 2.241 122.407 119.914 0.421 0.000 2.967 14 V HA 0.240 4.360 4.120 -0.001 0.000 0.364 14 V C 0.397 176.626 176.094 0.225 0.000 1.373 14 V CA 0.261 62.666 62.300 0.176 0.000 1.193 14 V CB -0.201 31.639 31.823 0.029 0.000 1.236 14 V HN 0.583 nan 8.190 nan 0.000 0.582 15 T N -0.346 114.450 114.554 0.403 0.000 3.001 15 T HA 0.660 5.010 4.350 -0.001 0.000 0.251 15 T C 0.909 175.763 174.700 0.257 0.000 1.040 15 T CA 0.713 62.987 62.100 0.290 0.000 0.985 15 T CB 1.009 70.000 68.868 0.205 0.000 1.011 15 T HN 0.990 nan 8.240 nan 0.000 0.509 16 G N 2.059 110.972 108.800 0.189 0.000 2.578 16 G HA2 0.473 4.433 3.960 -0.001 0.000 0.302 16 G HA3 0.473 4.433 3.960 -0.001 0.000 0.302 16 G C -3.135 171.530 174.900 -0.391 0.000 1.243 16 G CA -0.915 44.185 45.100 0.001 0.000 0.843 16 G HN -0.144 nan 8.290 nan 0.000 0.486 17 P HA 0.355 nan 4.420 nan 0.000 0.269 17 P C -0.373 176.366 177.300 -0.935 0.000 1.252 17 P CA 0.227 62.733 63.100 -0.990 0.000 0.780 17 P CB 0.581 32.124 31.700 -0.262 0.000 0.829 18 C N 5.443 124.001 119.300 -1.237 0.000 2.797 18 C HA 0.765 5.225 4.460 -0.001 0.000 0.306 18 C C -1.264 173.395 174.990 -0.551 0.000 1.207 18 C CA -0.938 57.572 59.018 -0.846 0.000 1.507 18 C CB 0.869 27.949 27.740 -1.101 0.000 2.028 18 C HN 0.640 nan 8.230 nan 0.000 0.475 19 L N 5.133 126.130 121.223 -0.377 0.000 2.385 19 L HA 0.834 5.174 4.340 -0.001 0.000 0.273 19 L C -1.199 175.524 176.870 -0.245 0.000 0.990 19 L CA -0.395 54.273 54.840 -0.286 0.000 0.821 19 L CB 1.892 43.786 42.059 -0.274 0.000 1.279 19 L HN 0.677 nan 8.230 nan 0.000 0.412 20 V N 6.041 125.833 119.914 -0.204 0.000 2.370 20 V HA 0.261 4.380 4.120 -0.001 0.000 0.283 20 V C 0.077 176.078 176.094 -0.155 0.000 1.023 20 V CA -0.558 61.647 62.300 -0.159 0.000 0.857 20 V CB 1.753 33.504 31.823 -0.120 0.000 0.985 20 V HN 0.541 nan 8.190 nan 0.000 0.443 21 L N 5.612 126.736 121.223 -0.166 0.000 2.536 21 L HA 0.457 4.796 4.340 -0.001 0.000 0.242 21 L C 0.972 177.779 176.870 -0.104 0.000 1.280 21 L CA -0.117 54.628 54.840 -0.158 0.000 1.221 21 L CB -0.096 41.832 42.059 -0.219 0.000 1.449 21 L HN 0.783 nan 8.230 nan 0.000 0.405 22 A N 1.985 124.753 122.820 -0.086 0.000 2.473 22 A HA 0.470 4.790 4.320 -0.001 0.000 0.282 22 A C 1.106 178.649 177.584 -0.068 0.000 1.163 22 A CA 0.294 52.288 52.037 -0.072 0.000 0.827 22 A CB -0.410 18.552 19.000 -0.063 0.000 1.098 22 A HN 0.669 nan 8.150 nan 0.000 0.515 23 G N 1.331 110.091 108.800 -0.066 0.000 2.684 23 G HA2 0.483 4.443 3.960 -0.001 0.000 0.255 23 G HA3 0.483 4.443 3.960 -0.001 0.000 0.255 23 G C 0.615 175.475 174.900 -0.068 0.000 1.219 23 G CA -0.016 45.052 45.100 -0.053 0.000 0.901 23 G HN 1.636 nan 8.290 nan 0.000 0.548 24 A N -0.388 122.389 122.820 -0.072 0.000 2.535 24 A HA 0.516 4.835 4.320 -0.001 0.000 0.290 24 A C 1.483 179.031 177.584 -0.060 0.000 1.270 24 A CA 1.055 53.038 52.037 -0.090 0.000 0.937 24 A CB -1.010 17.911 19.000 -0.132 0.000 1.096 24 A HN 2.410 nan 8.150 nan 0.000 0.534 25 G N 1.212 109.982 108.800 -0.051 0.000 2.336 25 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.194 25 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.194 25 G C 1.432 176.350 174.900 0.031 0.000 0.999 25 G CA 0.578 45.669 45.100 -0.015 0.000 0.669 25 G HN 0.811 nan 8.290 nan 0.000 0.482 26 S N -0.061 115.633 115.700 -0.011 0.000 2.425 26 S HA 0.020 4.489 4.470 -0.001 0.000 0.256 26 S C 2.255 176.888 174.600 0.056 0.000 1.101 26 S CA 3.524 61.726 58.200 0.004 0.000 1.188 26 S CB -0.435 62.742 63.200 -0.039 0.000 1.085 26 S HN 2.399 nan 8.310 nan 0.000 0.439 27 G N -0.698 108.100 108.800 -0.003 0.000 2.174 27 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.140 27 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.140 27 G C 0.497 175.362 174.900 -0.057 0.000 1.031 27 G CA 0.577 45.650 45.100 -0.045 0.000 0.728 27 G HN 0.351 nan 8.290 nan 0.000 0.496 28 K N 0.112 120.482 120.400 -0.050 0.000 2.097 28 K HA -0.354 3.966 4.320 -0.001 0.000 0.223 28 K C 2.823 179.390 176.600 -0.054 0.000 1.049 28 K CA 3.156 59.411 56.287 -0.053 0.000 0.956 28 K CB -0.450 32.018 32.500 -0.052 0.000 0.746 28 K HN 0.627 nan 8.250 nan 0.000 0.461 29 T N -1.016 113.503 114.554 -0.058 0.000 2.708 29 T HA -0.202 4.147 4.350 -0.001 0.000 0.266 29 T C 1.844 176.509 174.700 -0.057 0.000 1.037 29 T CA 1.472 63.538 62.100 -0.057 0.000 1.146 29 T CB -0.376 68.455 68.868 -0.061 0.000 0.865 29 T HN 0.335 nan 8.240 nan 0.000 0.435 30 R N 1.181 121.641 120.500 -0.066 0.000 2.132 30 R HA -0.139 4.201 4.340 -0.001 0.000 0.233 30 R C 2.366 178.632 176.300 -0.057 0.000 1.125 30 R CA 2.222 58.282 56.100 -0.067 0.000 0.914 30 R CB -1.119 29.130 30.300 -0.086 0.000 0.845 30 R HN 0.286 nan 8.270 nan 0.000 0.431 31 V N 2.141 122.019 119.914 -0.059 0.000 2.233 31 V HA -0.385 3.735 4.120 -0.001 0.000 0.252 31 V C 2.479 178.544 176.094 -0.048 0.000 1.063 31 V CA 2.360 64.626 62.300 -0.056 0.000 1.032 31 V CB -0.782 31.008 31.823 -0.055 0.000 0.645 31 V HN 0.427 nan 8.190 nan 0.000 0.446 32 I N 1.336 121.880 120.570 -0.044 0.000 2.118 32 I HA -0.276 3.893 4.170 -0.001 0.000 0.241 32 I C 2.875 178.976 176.117 -0.026 0.000 1.070 32 I CA 2.566 63.845 61.300 -0.034 0.000 1.327 32 I CB -2.417 35.559 38.000 -0.041 0.000 1.034 32 I HN 0.623 nan 8.210 nan 0.000 0.405 33 T N 1.154 115.689 114.554 -0.032 0.000 2.635 33 T HA -0.250 4.099 4.350 -0.001 0.000 0.267 33 T C 1.768 176.461 174.700 -0.011 0.000 1.040 33 T CA 2.233 64.319 62.100 -0.024 0.000 1.156 33 T CB -0.745 68.105 68.868 -0.031 0.000 0.863 33 T HN 0.246 nan 8.240 nan 0.000 0.430 34 N N 1.533 120.222 118.700 -0.018 0.000 2.061 34 N HA -0.070 4.669 4.740 -0.001 0.000 0.193 34 N C 1.821 177.337 175.510 0.010 0.000 1.030 34 N CA 1.703 54.749 53.050 -0.006 0.000 0.856 34 N CB -0.495 37.974 38.487 -0.030 0.000 1.023 34 N HN 0.624 nan 8.380 nan 0.000 0.424 35 K N 0.994 121.381 120.400 -0.022 0.000 2.097 35 K HA -0.040 4.280 4.320 -0.001 0.000 0.206 35 K C 1.902 178.523 176.600 0.036 0.000 1.049 35 K CA 0.929 57.203 56.287 -0.022 0.000 0.933 35 K CB -0.087 32.395 32.500 -0.031 0.000 0.717 35 K HN 0.330 nan 8.250 nan 0.000 0.442 36 I N -1.807 118.782 120.570 0.031 0.000 2.233 36 I HA -0.096 4.074 4.170 -0.001 0.000 0.243 36 I C 2.224 178.371 176.117 0.049 0.000 1.093 36 I CA 1.508 62.829 61.300 0.035 0.000 1.380 36 I CB -1.329 36.683 38.000 0.021 0.000 1.067 36 I HN 0.080 nan 8.210 nan 0.000 0.413 37 A N 1.615 124.462 122.820 0.046 0.000 1.884 37 A HA -0.326 3.994 4.320 -0.001 0.000 0.219 37 A C 2.535 180.168 177.584 0.082 0.000 1.197 37 A CA 2.379 54.445 52.037 0.048 0.000 0.637 37 A CB -1.683 17.340 19.000 0.038 0.000 0.827 37 A HN 0.738 nan 8.150 nan 0.000 0.450 38 H N 0.045 119.108 119.070 -0.011 0.000 2.319 38 H HA -0.100 4.455 4.556 -0.001 0.000 0.299 38 H C 2.018 177.346 175.328 0.002 0.000 1.092 38 H CA 2.003 58.045 56.048 -0.009 0.000 1.302 38 H CB -0.390 29.363 29.762 -0.015 0.000 1.373 38 H HN 0.403 nan 8.280 nan 0.000 0.497 39 L N 0.282 121.624 121.223 0.199 0.000 2.021 39 L HA -0.264 4.075 4.340 -0.001 0.000 0.215 39 L C 2.908 179.864 176.870 0.143 0.000 1.074 39 L CA 1.655 56.582 54.840 0.145 0.000 0.760 39 L CB -0.440 41.606 42.059 -0.021 0.000 0.889 39 L HN 0.265 nan 8.230 nan 0.000 0.433 40 I N -1.309 119.318 120.570 0.095 0.000 2.060 40 I HA -0.274 3.896 4.170 -0.001 0.000 0.233 40 I C 2.815 178.935 176.117 0.004 0.000 1.054 40 I CA 1.089 62.435 61.300 0.077 0.000 1.318 40 I CB -0.464 37.564 38.000 0.047 0.000 1.054 40 I HN 0.215 nan 8.210 nan 0.000 0.395 41 R N 0.987 121.467 120.500 -0.034 0.000 2.127 41 R HA -0.150 4.189 4.340 -0.001 0.000 0.228 41 R C 2.272 178.485 176.300 -0.145 0.000 1.125 41 R CA 2.010 58.065 56.100 -0.075 0.000 0.904 41 R CB -1.501 28.760 30.300 -0.064 0.000 0.831 41 R HN 0.499 nan 8.270 nan 0.000 0.431 42 G N -0.181 108.445 108.800 -0.290 0.000 2.484 42 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.218 42 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.218 42 G C 1.203 175.930 174.900 -0.288 0.000 1.130 42 G CA 0.712 45.584 45.100 -0.379 0.000 0.784 42 G HN 0.378 nan 8.290 nan 0.000 0.543 43 C N -0.063 119.107 119.300 -0.217 0.000 3.038 43 C HA 0.557 5.016 4.460 -0.001 0.000 0.279 43 C C 2.186 177.092 174.990 -0.140 0.000 1.276 43 C CA -0.222 58.725 59.018 -0.118 0.000 1.697 43 C CB -0.429 27.321 27.740 0.017 0.000 2.032 43 C HN 0.710 nan 8.230 nan 0.000 0.636 44 G N 0.124 108.865 108.800 -0.099 0.000 2.212 44 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.266 44 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.266 44 G C 0.026 174.890 174.900 -0.060 0.000 0.978 44 G CA 0.088 45.130 45.100 -0.096 0.000 0.632 44 G HN 0.500 nan 8.290 nan 0.000 0.537 45 Y N 0.930 121.218 120.300 -0.019 0.000 2.811 45 Y HA 0.328 4.878 4.550 -0.001 0.000 0.334 45 Y C 1.017 176.951 175.900 0.055 0.000 1.247 45 Y CA 0.738 58.855 58.100 0.029 0.000 1.526 45 Y CB 0.596 39.057 38.460 0.002 0.000 1.284 45 Y HN 0.298 nan 8.280 nan 0.000 0.586 46 Q N 3.587 123.588 119.800 0.335 0.000 2.314 46 Q HA 0.384 4.724 4.340 -0.001 0.000 0.257 46 Q C 0.929 176.984 176.000 0.091 0.000 0.975 46 Q CA 0.262 56.166 55.803 0.167 0.000 0.933 46 Q CB 1.105 29.904 28.738 0.102 0.000 1.195 46 Q HN 0.793 nan 8.270 nan 0.000 0.426 47 A N 5.291 128.136 122.820 0.041 0.000 1.968 47 A HA -0.343 3.977 4.320 -0.001 0.000 0.227 47 A C 1.661 179.233 177.584 -0.021 0.000 1.381 47 A CA 2.522 54.566 52.037 0.012 0.000 0.697 47 A CB -0.738 18.255 19.000 -0.011 0.000 0.836 47 A HN 0.891 nan 8.150 nan 0.000 0.497 48 R N -1.231 119.204 120.500 -0.109 0.000 2.346 48 R HA 0.021 4.361 4.340 -0.001 0.000 0.199 48 R C 0.727 176.925 176.300 -0.169 0.000 1.015 48 R CA 1.556 57.554 56.100 -0.170 0.000 1.058 48 R CB -0.590 29.565 30.300 -0.241 0.000 0.921 48 R HN 0.765 nan 8.270 nan 0.000 0.475 49 H N -0.775 118.330 119.070 0.058 0.000 3.058 49 H HA 0.341 4.896 4.556 -0.001 0.000 0.266 49 H C -0.287 175.074 175.328 0.055 0.000 1.135 49 H CA -0.623 55.472 56.048 0.077 0.000 1.174 49 H CB 0.738 30.591 29.762 0.153 0.000 1.581 49 H HN 0.086 nan 8.280 nan 0.000 0.553 50 I N 1.030 121.680 120.570 0.133 0.000 2.525 50 I HA 0.572 4.742 4.170 -0.001 0.000 0.301 50 I C -0.260 175.874 176.117 0.028 0.000 0.992 50 I CA -1.002 60.336 61.300 0.065 0.000 1.162 50 I CB 1.880 39.906 38.000 0.043 0.000 1.332 50 I HN 0.007 nan 8.210 nan 0.000 0.458 51 A N 4.133 126.946 122.820 -0.013 0.000 2.374 51 A HA 0.865 5.185 4.320 -0.001 0.000 0.305 51 A C -0.842 176.676 177.584 -0.110 0.000 1.053 51 A CA -0.603 51.402 52.037 -0.054 0.000 0.726 51 A CB 1.506 20.477 19.000 -0.049 0.000 1.229 51 A HN 0.795 nan 8.150 nan 0.000 0.431 52 A N 2.579 125.326 122.820 -0.121 0.000 2.328 52 A HA 0.621 4.941 4.320 -0.001 0.000 0.318 52 A C -0.477 176.969 177.584 -0.229 0.000 1.347 52 A CA -0.357 51.589 52.037 -0.152 0.000 0.842 52 A CB 0.329 19.268 19.000 -0.102 0.000 1.148 52 A HN 0.972 nan 8.150 nan 0.000 0.499 53 V N 2.586 122.295 119.914 -0.342 0.000 2.644 53 V HA 0.659 4.778 4.120 -0.001 0.000 0.295 53 V C 0.583 176.353 176.094 -0.540 0.000 1.053 53 V CA 0.157 62.125 62.300 -0.554 0.000 0.987 53 V CB 1.694 32.966 31.823 -0.919 0.000 1.006 53 V HN 1.015 nan 8.190 nan 0.000 0.472 54 T N 2.057 116.266 114.554 -0.575 0.000 2.626 54 T HA 0.508 4.858 4.350 -0.001 0.000 0.279 54 T C 0.089 174.487 174.700 -0.503 0.000 0.983 54 T CA -0.169 61.697 62.100 -0.389 0.000 1.059 54 T CB 1.298 70.056 68.868 -0.184 0.000 1.396 54 T HN 0.270 nan 8.240 nan 0.000 0.519 55 F N 0.394 120.280 119.950 -0.106 0.000 2.553 55 F HA 0.339 4.866 4.527 -0.001 0.000 0.282 55 F C 1.504 177.227 175.800 -0.128 0.000 1.089 55 F CA 0.006 57.954 58.000 -0.088 0.000 1.411 55 F CB 0.585 39.517 39.000 -0.112 0.000 1.125 55 F HN 0.408 nan 8.300 nan 0.000 0.610 56 T N -0.738 113.846 114.554 0.051 0.000 2.888 56 T HA 0.240 4.590 4.350 -0.001 0.000 0.284 56 T C 0.679 175.353 174.700 -0.043 0.000 1.017 56 T CA -0.497 61.597 62.100 -0.010 0.000 1.022 56 T CB 0.970 69.829 68.868 -0.014 0.000 1.013 56 T HN 0.146 nan 8.240 nan 0.000 0.465 57 N N 1.865 120.536 118.700 -0.049 0.000 2.585 57 N HA -0.056 4.684 4.740 -0.001 0.000 0.188 57 N C 1.575 177.052 175.510 -0.055 0.000 1.102 57 N CA 0.477 53.492 53.050 -0.058 0.000 0.920 57 N CB 0.212 38.664 38.487 -0.058 0.000 0.963 57 N HN 0.487 nan 8.380 nan 0.000 0.447 58 K N 1.162 121.536 120.400 -0.044 0.000 2.017 58 K HA 0.106 4.426 4.320 -0.001 0.000 0.207 58 K C 2.116 178.689 176.600 -0.046 0.000 1.035 58 K CA 0.858 57.120 56.287 -0.042 0.000 0.947 58 K CB -0.150 32.332 32.500 -0.030 0.000 0.749 58 K HN 0.016 nan 8.250 nan 0.000 0.443 59 A N 1.192 123.987 122.820 -0.042 0.000 1.927 59 A HA -0.262 4.058 4.320 -0.001 0.000 0.220 59 A C 2.321 179.871 177.584 -0.056 0.000 1.185 59 A CA 2.447 54.457 52.037 -0.045 0.000 0.639 59 A CB -1.242 17.737 19.000 -0.035 0.000 0.820 59 A HN 0.482 nan 8.150 nan 0.000 0.451 60 A N -0.645 122.136 122.820 -0.066 0.000 1.873 60 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 60 A C 2.212 179.757 177.584 -0.065 0.000 1.193 60 A CA 2.360 54.351 52.037 -0.077 0.000 0.629 60 A CB -0.494 18.453 19.000 -0.088 0.000 0.826 60 A HN 0.478 nan 8.150 nan 0.000 0.447 61 R N -0.404 120.059 120.500 -0.060 0.000 2.070 61 R HA -0.117 4.222 4.340 -0.001 0.000 0.233 61 R C 2.058 178.328 176.300 -0.050 0.000 1.137 61 R CA 1.916 57.983 56.100 -0.055 0.000 0.945 61 R CB -0.623 29.643 30.300 -0.057 0.000 0.845 61 R HN 0.582 nan 8.270 nan 0.000 0.430 62 E N -0.096 120.075 120.200 -0.049 0.000 2.068 62 E HA -0.298 4.051 4.350 -0.001 0.000 0.207 62 E C 1.904 178.476 176.600 -0.047 0.000 1.032 62 E CA 2.310 58.682 56.400 -0.047 0.000 0.839 62 E CB -0.295 29.377 29.700 -0.048 0.000 0.758 62 E HN 0.338 nan 8.360 nan 0.000 0.457 63 M N 0.116 119.686 119.600 -0.051 0.000 2.065 63 M HA -0.251 4.229 4.480 -0.001 0.000 0.259 63 M C 2.071 178.343 176.300 -0.046 0.000 1.069 63 M CA 1.705 56.975 55.300 -0.050 0.000 1.110 63 M CB -0.039 32.526 32.600 -0.058 0.000 1.328 63 M HN -0.090 nan 8.290 nan 0.000 0.405 64 K N 0.507 120.879 120.400 -0.048 0.000 2.160 64 K HA -0.205 4.114 4.320 -0.001 0.000 0.206 64 K C 1.566 178.144 176.600 -0.036 0.000 1.047 64 K CA 1.949 58.211 56.287 -0.042 0.000 0.930 64 K CB -0.247 32.226 32.500 -0.045 0.000 0.720 64 K HN 0.607 nan 8.250 nan 0.000 0.450 65 E N -0.114 120.064 120.200 -0.037 0.000 1.999 65 E HA -0.179 4.170 4.350 -0.001 0.000 0.194 65 E C 2.144 178.725 176.600 -0.032 0.000 0.995 65 E CA 1.112 57.492 56.400 -0.033 0.000 0.825 65 E CB -0.148 29.532 29.700 -0.033 0.000 0.777 65 E HN 0.126 nan 8.360 nan 0.000 0.459 66 R N 0.623 121.102 120.500 -0.035 0.000 2.196 66 R HA -0.243 4.096 4.340 -0.001 0.000 0.234 66 R C 2.417 178.700 176.300 -0.029 0.000 1.113 66 R CA 1.971 58.050 56.100 -0.034 0.000 0.899 66 R CB -1.338 28.938 30.300 -0.039 0.000 0.863 66 R HN 0.063 nan 8.270 nan 0.000 0.430 67 V N 0.103 119.999 119.914 -0.029 0.000 2.250 67 V HA -0.306 3.814 4.120 -0.001 0.000 0.253 67 V C 2.357 178.439 176.094 -0.020 0.000 1.065 67 V CA 2.322 64.608 62.300 -0.022 0.000 1.039 67 V CB -1.399 30.410 31.823 -0.023 0.000 0.647 67 V HN 0.737 nan 8.190 nan 0.000 0.446 68 G N 0.420 109.206 108.800 -0.023 0.000 2.475 68 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.220 68 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.220 68 G C 1.339 176.227 174.900 -0.019 0.000 1.125 68 G CA 1.195 46.282 45.100 -0.021 0.000 0.755 68 G HN 0.749 nan 8.290 nan 0.000 0.565 69 Q N -0.863 118.925 119.800 -0.021 0.000 2.403 69 Q HA 0.240 4.579 4.340 -0.001 0.000 0.203 69 Q C 1.603 177.592 176.000 -0.018 0.000 0.932 69 Q CA 1.273 57.065 55.803 -0.019 0.000 0.945 69 Q CB -0.207 28.518 28.738 -0.021 0.000 1.045 69 Q HN 0.204 nan 8.270 nan 0.000 0.511 70 T N -0.677 113.867 114.554 -0.016 0.000 3.040 70 T HA 0.412 4.761 4.350 -0.001 0.000 0.250 70 T C 0.037 174.730 174.700 -0.011 0.000 1.058 70 T CA 0.008 62.100 62.100 -0.014 0.000 0.988 70 T CB 0.110 68.971 68.868 -0.012 0.000 0.993 70 T HN 0.214 nan 8.240 nan 0.000 0.519 71 L N -0.672 120.544 121.223 -0.012 0.000 2.194 71 L HA 0.793 5.133 4.340 -0.001 0.000 0.248 71 L C 0.356 177.218 176.870 -0.013 0.000 1.071 71 L CA -1.568 53.266 54.840 -0.011 0.000 0.901 71 L CB 1.678 43.731 42.059 -0.010 0.000 1.497 71 L HN 0.027 nan 8.230 nan 0.000 0.442 72 G N -1.040 107.752 108.800 -0.014 0.000 2.473 72 G HA2 0.426 4.386 3.960 -0.001 0.000 0.321 72 G HA3 0.426 4.386 3.960 -0.001 0.000 0.321 72 G C 0.174 175.064 174.900 -0.016 0.000 1.200 72 G CA -0.516 44.575 45.100 -0.015 0.000 0.963 72 G HN 0.594 nan 8.290 nan 0.000 0.483 73 R N -0.009 120.481 120.500 -0.017 0.000 2.228 73 R HA -0.253 4.087 4.340 -0.001 0.000 0.264 73 R C 2.673 178.961 176.300 -0.020 0.000 1.179 73 R CA 2.336 58.425 56.100 -0.018 0.000 0.998 73 R CB -0.149 30.141 30.300 -0.017 0.000 0.885 73 R HN 0.749 nan 8.270 nan 0.000 0.466 74 K N 0.484 120.873 120.400 -0.019 0.000 1.975 74 K HA -0.234 4.086 4.320 -0.001 0.000 0.225 74 K C 1.735 178.321 176.600 -0.023 0.000 1.050 74 K CA 2.119 58.393 56.287 -0.021 0.000 0.992 74 K CB -0.568 31.921 32.500 -0.019 0.000 0.738 74 K HN 0.245 nan 8.250 nan 0.000 0.446 75 E N 1.097 121.285 120.200 -0.019 0.000 2.107 75 E HA -0.068 4.282 4.350 -0.001 0.000 0.191 75 E C 2.097 178.685 176.600 -0.019 0.000 0.982 75 E CA 0.964 57.353 56.400 -0.018 0.000 0.809 75 E CB -0.186 29.507 29.700 -0.011 0.000 0.756 75 E HN 0.500 nan 8.360 nan 0.000 0.459 76 A N 2.031 124.840 122.820 -0.018 0.000 1.827 76 A HA -0.231 4.089 4.320 -0.001 0.000 0.215 76 A C 2.120 179.690 177.584 -0.023 0.000 1.212 76 A CA 1.828 53.854 52.037 -0.019 0.000 0.624 76 A CB -0.721 18.267 19.000 -0.019 0.000 0.853 76 A HN 0.190 nan 8.150 nan 0.000 0.450 77 R N 0.124 120.610 120.500 -0.023 0.000 2.261 77 R HA -0.105 4.235 4.340 -0.001 0.000 0.236 77 R C 1.293 177.576 176.300 -0.027 0.000 1.141 77 R CA 1.373 57.458 56.100 -0.025 0.000 1.001 77 R CB -0.606 29.680 30.300 -0.023 0.000 0.866 77 R HN 0.454 nan 8.270 nan 0.000 0.468 78 G N 1.313 110.096 108.800 -0.029 0.000 3.591 78 G HA2 0.238 4.197 3.960 -0.001 0.000 0.282 78 G HA3 0.238 4.197 3.960 -0.001 0.000 0.282 78 G C -0.510 174.368 174.900 -0.037 0.000 1.238 78 G CA -0.460 44.619 45.100 -0.035 0.000 0.993 78 G HN 0.230 nan 8.290 nan 0.000 0.542 79 L N -1.134 120.072 121.223 -0.029 0.000 2.354 79 L HA 0.708 5.048 4.340 -0.001 0.000 0.269 79 L C 0.144 176.999 176.870 -0.024 0.000 1.005 79 L CA -1.009 53.816 54.840 -0.024 0.000 0.819 79 L CB 1.709 43.757 42.059 -0.019 0.000 1.311 79 L HN 0.030 nan 8.230 nan 0.000 0.423 80 M N 5.355 124.945 119.600 -0.017 0.000 3.422 80 M HA 0.297 4.776 4.480 -0.001 0.000 0.248 80 M C -1.142 175.128 176.300 -0.049 0.000 1.433 80 M CA 0.109 55.396 55.300 -0.021 0.000 1.592 80 M CB -0.615 31.987 32.600 0.004 0.000 1.078 80 M HN 0.361 nan 8.290 nan 0.000 0.578 81 I N 1.006 121.541 120.570 -0.059 0.000 2.353 81 I HA 0.512 4.681 4.170 -0.001 0.000 0.293 81 I C 0.414 176.472 176.117 -0.098 0.000 0.992 81 I CA 0.014 61.263 61.300 -0.085 0.000 1.268 81 I CB 1.302 39.258 38.000 -0.073 0.000 1.387 81 I HN 0.501 nan 8.210 nan 0.000 0.478 82 S N 2.154 117.768 115.700 -0.143 0.000 2.636 82 S HA 0.527 4.997 4.470 -0.001 0.000 0.266 82 S C -0.524 173.944 174.600 -0.219 0.000 1.147 82 S CA -0.895 57.218 58.200 -0.146 0.000 0.815 82 S CB 1.216 64.348 63.200 -0.114 0.000 1.119 82 S HN 0.532 nan 8.310 nan 0.000 0.470 83 T N -0.174 114.269 114.554 -0.184 0.000 2.770 83 T HA 0.516 4.866 4.350 -0.001 0.000 0.281 83 T C 0.710 175.233 174.700 -0.294 0.000 0.981 83 T CA -0.336 61.622 62.100 -0.236 0.000 0.955 83 T CB -0.101 68.686 68.868 -0.136 0.000 1.060 83 T HN 0.431 nan 8.240 nan 0.000 0.531 84 F N 0.385 120.080 119.950 -0.425 0.000 2.060 84 F HA 0.017 4.543 4.527 -0.001 0.000 0.295 84 F C 2.473 178.122 175.800 -0.252 0.000 1.120 84 F CA 1.867 59.615 58.000 -0.420 0.000 1.205 84 F CB -0.716 37.917 39.000 -0.612 0.000 0.986 84 F HN 0.764 nan 8.300 nan 0.000 0.470 85 H N -1.042 118.073 119.070 0.074 0.000 2.289 85 H HA -0.215 4.341 4.556 -0.001 0.000 0.294 85 H C 2.326 177.652 175.328 -0.005 0.000 1.095 85 H CA 2.030 58.087 56.048 0.016 0.000 1.256 85 H CB -0.739 29.005 29.762 -0.030 0.000 1.359 85 H HN 0.298 nan 8.280 nan 0.000 0.487 86 T N 0.186 114.794 114.554 0.090 0.000 2.665 86 T HA -0.238 4.112 4.350 -0.001 0.000 0.268 86 T C 2.033 176.744 174.700 0.018 0.000 1.035 86 T CA 1.454 63.576 62.100 0.037 0.000 1.151 86 T CB -0.597 68.265 68.868 -0.010 0.000 0.862 86 T HN 0.154 nan 8.240 nan 0.000 0.438 87 L N 2.485 123.695 121.223 -0.021 0.000 1.976 87 L HA 0.198 4.538 4.340 -0.001 0.000 0.209 87 L C 2.858 179.692 176.870 -0.059 0.000 1.071 87 L CA 2.367 57.181 54.840 -0.043 0.000 0.746 87 L CB -1.439 40.559 42.059 -0.102 0.000 0.890 87 L HN 0.367 nan 8.230 nan 0.000 0.432 88 G N -0.245 108.539 108.800 -0.027 0.000 2.547 88 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.221 88 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.221 88 G C 1.606 176.465 174.900 -0.067 0.000 1.140 88 G CA 1.370 46.441 45.100 -0.049 0.000 0.760 88 G HN 0.462 nan 8.290 nan 0.000 0.583 89 L N 0.977 122.197 121.223 -0.006 0.000 1.988 89 L HA 0.016 4.355 4.340 -0.001 0.000 0.207 89 L C 2.363 179.230 176.870 -0.005 0.000 1.071 89 L CA 2.834 57.672 54.840 -0.003 0.000 0.744 89 L CB -1.001 41.096 42.059 0.063 0.000 0.893 89 L HN 0.347 nan 8.230 nan 0.000 0.433 90 D N -0.739 119.676 120.400 0.025 0.000 2.126 90 D HA -0.285 4.355 4.640 -0.001 0.000 0.190 90 D C 2.070 178.422 176.300 0.086 0.000 1.001 90 D CA 2.283 56.328 54.000 0.076 0.000 0.841 90 D CB -0.155 40.712 40.800 0.112 0.000 0.949 90 D HN 0.373 nan 8.370 nan 0.000 0.446 91 I N 1.046 121.566 120.570 -0.084 0.000 2.113 91 I HA -0.311 3.859 4.170 -0.001 0.000 0.242 91 I C 2.234 178.325 176.117 -0.043 0.000 1.064 91 I CA 1.061 62.203 61.300 -0.263 0.000 1.320 91 I CB -0.539 37.072 38.000 -0.647 0.000 1.028 91 I HN 0.267 nan 8.210 nan 0.000 0.406 92 I N 0.147 120.653 120.570 -0.107 0.000 2.039 92 I HA -0.337 3.832 4.170 -0.001 0.000 0.233 92 I C 2.501 178.553 176.117 -0.109 0.000 1.040 92 I CA 1.659 62.863 61.300 -0.159 0.000 1.308 92 I CB -1.506 36.300 38.000 -0.323 0.000 1.035 92 I HN 0.254 nan 8.210 nan 0.000 0.392 93 K N 0.952 121.321 120.400 -0.052 0.000 1.990 93 K HA -0.268 4.052 4.320 -0.001 0.000 0.225 93 K C 2.115 178.800 176.600 0.143 0.000 1.053 93 K CA 1.811 58.118 56.287 0.032 0.000 0.982 93 K CB -0.987 31.559 32.500 0.076 0.000 0.734 93 K HN 0.282 nan 8.250 nan 0.000 0.448 94 R N 1.013 121.624 120.500 0.185 0.000 2.136 94 R HA -0.226 4.114 4.340 -0.001 0.000 0.242 94 R C 2.172 178.623 176.300 0.252 0.000 1.131 94 R CA 2.229 58.466 56.100 0.228 0.000 0.937 94 R CB -0.263 30.237 30.300 0.334 0.000 0.863 94 R HN 0.230 nan 8.270 nan 0.000 0.435 95 E N -1.176 119.217 120.200 0.321 0.000 2.511 95 E HA -0.115 4.234 4.350 -0.001 0.000 0.196 95 E C 1.000 177.786 176.600 0.310 0.000 1.066 95 E CA 0.407 56.990 56.400 0.304 0.000 0.871 95 E CB 0.047 29.954 29.700 0.345 0.000 0.863 95 E HN 0.379 nan 8.360 nan 0.000 0.520 96 Y N -0.491 119.888 120.300 0.132 0.000 2.286 96 Y HA 0.119 4.669 4.550 -0.001 0.000 0.293 96 Y C 2.074 178.026 175.900 0.087 0.000 1.124 96 Y CA 0.825 58.991 58.100 0.110 0.000 1.178 96 Y CB -0.519 38.024 38.460 0.138 0.000 1.010 96 Y HN 0.141 nan 8.280 nan 0.000 0.536 97 A N -0.255 122.724 122.820 0.264 0.000 1.930 97 A HA -0.074 4.246 4.320 -0.001 0.000 0.217 97 A C 2.432 180.079 177.584 0.105 0.000 1.175 97 A CA 1.653 53.782 52.037 0.154 0.000 0.627 97 A CB -1.156 17.918 19.000 0.123 0.000 0.815 97 A HN 0.369 nan 8.150 nan 0.000 0.443 98 A N -0.960 121.928 122.820 0.115 0.000 1.972 98 A HA -0.005 4.315 4.320 -0.001 0.000 0.219 98 A C 1.992 179.615 177.584 0.065 0.000 1.169 98 A CA 1.587 53.671 52.037 0.079 0.000 0.635 98 A CB -0.406 18.648 19.000 0.090 0.000 0.810 98 A HN 0.461 nan 8.150 nan 0.000 0.446 99 L N -1.208 120.062 121.223 0.078 0.000 2.509 99 L HA 0.246 4.586 4.340 -0.001 0.000 0.222 99 L C 1.505 178.383 176.870 0.013 0.000 1.123 99 L CA 1.142 56.004 54.840 0.037 0.000 0.856 99 L CB -0.080 41.992 42.059 0.022 0.000 0.985 99 L HN 0.565 nan 8.230 nan 0.000 0.456 100 G N 0.331 109.154 108.800 0.037 0.000 2.273 100 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.280 100 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.280 100 G C 0.215 175.114 174.900 -0.002 0.000 1.047 100 G CA 0.626 45.741 45.100 0.025 0.000 0.869 100 G HN 0.290 nan 8.290 nan 0.000 0.502 101 M N -0.850 118.737 119.600 -0.020 0.000 2.573 101 M HA 0.466 4.945 4.480 -0.001 0.000 0.309 101 M C 0.676 176.989 176.300 0.022 0.000 1.202 101 M CA -0.753 54.488 55.300 -0.100 0.000 0.975 101 M CB 1.300 33.679 32.600 -0.367 0.000 1.600 101 M HN 0.068 nan 8.290 nan 0.000 0.479 102 K N 1.506 121.914 120.400 0.012 0.000 2.284 102 K HA 0.416 4.735 4.320 -0.001 0.000 0.287 102 K C -1.024 175.710 176.600 0.224 0.000 1.081 102 K CA -0.210 56.128 56.287 0.086 0.000 0.910 102 K CB 0.613 33.129 32.500 0.026 0.000 1.088 102 K HN 0.737 nan 8.250 nan 0.000 0.478 103 A N 5.058 128.040 122.820 0.270 0.000 2.807 103 A HA 0.102 4.421 4.320 -0.001 0.000 0.307 103 A C 0.176 177.530 177.584 -0.383 0.000 1.532 103 A CA -0.526 51.585 52.037 0.123 0.000 1.215 103 A CB -0.827 18.153 19.000 -0.035 0.000 1.127 103 A HN 0.999 nan 8.150 nan 0.000 0.543 104 N N 1.440 119.989 118.700 -0.253 0.000 2.235 104 N HA 0.212 4.952 4.740 -0.001 0.000 0.231 104 N C 0.046 175.419 175.510 -0.228 0.000 1.177 104 N CA -0.545 52.349 53.050 -0.261 0.000 0.874 104 N CB 0.123 38.562 38.487 -0.080 0.000 1.097 104 N HN 0.504 nan 8.380 nan 0.000 0.518 105 F N 0.998 120.971 119.950 0.039 0.000 2.444 105 F HA 0.435 4.962 4.527 -0.001 0.000 0.297 105 F C 0.269 176.051 175.800 -0.030 0.000 1.295 105 F CA -0.816 57.182 58.000 -0.005 0.000 1.286 105 F CB -0.172 38.819 39.000 -0.016 0.000 1.298 105 F HN -0.219 nan 8.300 nan 0.000 0.531 106 S N 0.912 116.743 115.700 0.219 0.000 2.557 106 S HA 0.460 4.929 4.470 -0.001 0.000 0.291 106 S C -1.022 173.658 174.600 0.132 0.000 1.116 106 S CA -0.714 57.556 58.200 0.117 0.000 0.992 106 S CB 1.482 64.706 63.200 0.040 0.000 1.028 106 S HN 0.415 nan 8.310 nan 0.000 0.484 107 L N 3.476 124.783 121.223 0.140 0.000 2.369 107 L HA 0.344 4.684 4.340 -0.001 0.000 0.279 107 L C -0.574 176.327 176.870 0.051 0.000 1.108 107 L CA 0.035 54.891 54.840 0.027 0.000 0.852 107 L CB -0.546 41.524 42.059 0.018 0.000 1.169 107 L HN 0.635 nan 8.230 nan 0.000 0.452 108 F N 3.061 122.810 119.950 -0.334 0.000 2.462 108 F HA 0.098 4.625 4.527 -0.001 0.000 0.354 108 F C 0.880 176.413 175.800 -0.444 0.000 1.192 108 F CA -1.719 56.103 58.000 -0.295 0.000 1.173 108 F CB 0.007 38.882 39.000 -0.208 0.000 1.402 108 F HN 0.492 nan 8.300 nan 0.000 0.595 109 D N 3.054 123.297 120.400 -0.261 0.000 2.533 109 D HA -0.119 4.521 4.640 -0.001 0.000 0.236 109 D C 1.499 177.741 176.300 -0.097 0.000 1.137 109 D CA 0.392 54.319 54.000 -0.122 0.000 0.867 109 D CB 0.572 41.400 40.800 0.047 0.000 1.170 109 D HN 0.676 nan 8.370 nan 0.000 0.474 110 D N 2.629 123.081 120.400 0.085 0.000 2.339 110 D HA -0.423 4.217 4.640 -0.001 0.000 0.189 110 D C 1.344 177.638 176.300 -0.009 0.000 1.022 110 D CA 3.097 57.141 54.000 0.074 0.000 0.884 110 D CB -0.896 39.996 40.800 0.154 0.000 0.916 110 D HN 0.627 nan 8.370 nan 0.000 0.453 111 T N -0.398 114.146 114.554 -0.017 0.000 2.607 111 T HA -0.244 4.105 4.350 -0.001 0.000 0.267 111 T C 1.582 176.192 174.700 -0.150 0.000 1.049 111 T CA 2.084 64.155 62.100 -0.047 0.000 1.162 111 T CB -0.720 68.130 68.868 -0.030 0.000 0.863 111 T HN 0.058 nan 8.240 nan 0.000 0.424 112 D N 1.049 121.265 120.400 -0.306 0.000 2.172 112 D HA -0.156 4.483 4.640 -0.001 0.000 0.196 112 D C 2.196 178.100 176.300 -0.659 0.000 0.999 112 D CA 1.420 55.024 54.000 -0.660 0.000 0.856 112 D CB -0.559 39.552 40.800 -1.149 0.000 0.934 112 D HN 0.659 nan 8.370 nan 0.000 0.453 113 Q N 0.133 119.719 119.800 -0.356 0.000 1.965 113 Q HA -0.106 4.234 4.340 -0.001 0.000 0.200 113 Q C 2.393 178.442 176.000 0.081 0.000 0.981 113 Q CA 0.711 56.526 55.803 0.020 0.000 0.834 113 Q CB -0.319 28.498 28.738 0.132 0.000 0.900 113 Q HN 0.293 nan 8.270 nan 0.000 0.426 114 L N 0.396 121.645 121.223 0.043 0.000 1.991 114 L HA -0.320 4.020 4.340 -0.001 0.000 0.221 114 L C 2.333 179.237 176.870 0.057 0.000 1.079 114 L CA 2.024 56.898 54.840 0.057 0.000 0.778 114 L CB -0.697 41.382 42.059 0.035 0.000 0.893 114 L HN 0.428 nan 8.230 nan 0.000 0.437 115 A N -0.071 122.756 122.820 0.011 0.000 1.859 115 A HA -0.332 3.987 4.320 -0.001 0.000 0.218 115 A C 2.194 179.807 177.584 0.048 0.000 1.209 115 A CA 2.257 54.302 52.037 0.015 0.000 0.639 115 A CB -1.218 17.764 19.000 -0.029 0.000 0.835 115 A HN 0.575 nan 8.150 nan 0.000 0.450 116 L N -0.858 120.392 121.223 0.045 0.000 2.064 116 L HA -0.222 4.117 4.340 -0.001 0.000 0.216 116 L C 2.220 179.159 176.870 0.115 0.000 1.077 116 L CA 1.872 56.760 54.840 0.080 0.000 0.766 116 L CB -0.415 41.704 42.059 0.101 0.000 0.890 116 L HN 0.320 nan 8.230 nan 0.000 0.435 117 L N -0.304 121.012 121.223 0.156 0.000 1.976 117 L HA -0.248 4.092 4.340 -0.001 0.000 0.209 117 L C 2.582 179.536 176.870 0.140 0.000 1.071 117 L CA 1.826 56.777 54.840 0.186 0.000 0.746 117 L CB -1.482 40.692 42.059 0.192 0.000 0.890 117 L HN 0.392 nan 8.230 nan 0.000 0.432 118 K N -0.108 120.358 120.400 0.110 0.000 2.049 118 K HA -0.298 4.021 4.320 -0.001 0.000 0.219 118 K C 1.889 178.544 176.600 0.091 0.000 1.056 118 K CA 2.523 58.864 56.287 0.092 0.000 0.946 118 K CB -0.199 32.343 32.500 0.069 0.000 0.723 118 K HN 0.608 nan 8.250 nan 0.000 0.453 119 E N 1.003 121.257 120.200 0.091 0.000 2.012 119 E HA -0.215 4.134 4.350 -0.001 0.000 0.197 119 E C 1.993 178.655 176.600 0.104 0.000 1.007 119 E CA 1.479 57.934 56.400 0.092 0.000 0.816 119 E CB -0.690 29.068 29.700 0.097 0.000 0.762 119 E HN 0.258 nan 8.360 nan 0.000 0.451 120 L N 1.401 122.699 121.223 0.125 0.000 2.447 120 L HA -0.054 4.286 4.340 -0.001 0.000 0.225 120 L C 1.094 178.039 176.870 0.125 0.000 1.148 120 L CA 1.295 56.215 54.840 0.133 0.000 0.808 120 L CB -0.944 41.209 42.059 0.158 0.000 0.928 120 L HN 0.397 nan 8.230 nan 0.000 0.448 121 T N -4.886 109.741 114.554 0.122 0.000 3.504 121 T HA 0.308 4.658 4.350 -0.001 0.000 0.286 121 T C 0.492 175.248 174.700 0.093 0.000 1.530 121 T CA -0.660 61.511 62.100 0.119 0.000 1.652 121 T CB 1.065 70.021 68.868 0.147 0.000 0.895 121 T HN -0.063 nan 8.240 nan 0.000 0.674 122 E N 2.284 122.532 120.200 0.079 0.000 2.402 122 E HA 0.256 4.606 4.350 -0.001 0.000 0.261 122 E C 2.339 178.969 176.600 0.051 0.000 0.823 122 E CA 1.023 57.461 56.400 0.062 0.000 1.205 122 E CB -0.860 28.874 29.700 0.057 0.000 1.431 122 E HN 0.561 nan 8.360 nan 0.000 0.518 123 G N 2.085 110.912 108.800 0.045 0.000 2.499 123 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.221 123 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.221 123 G C 1.746 176.664 174.900 0.030 0.000 1.109 123 G CA 1.374 46.495 45.100 0.034 0.000 0.749 123 G HN 0.232 nan 8.290 nan 0.000 0.568 124 L N -1.881 119.367 121.223 0.042 0.000 2.027 124 L HA 0.365 4.705 4.340 -0.001 0.000 0.206 124 L C 1.009 177.886 176.870 0.012 0.000 1.074 124 L CA 0.525 55.387 54.840 0.037 0.000 0.745 124 L CB -0.351 41.753 42.059 0.075 0.000 0.898 124 L HN 0.066 nan 8.230 nan 0.000 0.433 125 I N -0.277 120.309 120.570 0.026 0.000 2.686 125 I HA 0.249 4.419 4.170 -0.001 0.000 0.295 125 I C -0.638 175.497 176.117 0.029 0.000 1.114 125 I CA -0.844 60.463 61.300 0.011 0.000 1.038 125 I CB 1.982 39.981 38.000 -0.001 0.000 1.238 125 I HN 0.106 nan 8.210 nan 0.000 0.420 126 E N 4.528 124.739 120.200 0.018 0.000 2.924 126 E HA -0.126 4.223 4.350 -0.001 0.000 0.236 126 E C -0.375 176.248 176.600 0.039 0.000 1.028 126 E CA 0.398 56.812 56.400 0.024 0.000 0.952 126 E CB -0.064 29.646 29.700 0.016 0.000 0.918 126 E HN 0.268 nan 8.360 nan 0.000 0.536 127 D N 3.540 123.963 120.400 0.037 0.000 2.569 127 D HA -0.098 4.541 4.640 -0.001 0.000 0.254 127 D C -0.945 175.378 176.300 0.040 0.000 1.274 127 D CA 0.658 54.683 54.000 0.041 0.000 1.306 127 D CB -0.374 40.447 40.800 0.034 0.000 1.139 127 D HN 0.324 nan 8.370 nan 0.000 0.511 128 D N 0.667 121.095 120.400 0.048 0.000 2.857 128 D HA 0.138 4.777 4.640 -0.001 0.000 0.227 128 D C 0.874 177.205 176.300 0.053 0.000 1.192 128 D CA -0.715 53.312 54.000 0.045 0.000 0.857 128 D CB 1.292 42.117 40.800 0.041 0.000 1.645 128 D HN 0.029 nan 8.370 nan 0.000 0.482 129 K N 1.541 121.967 120.400 0.043 0.000 1.970 129 K HA -0.168 4.152 4.320 -0.001 0.000 0.225 129 K C 1.983 178.610 176.600 0.045 0.000 1.045 129 K CA 1.604 57.917 56.287 0.042 0.000 1.002 129 K CB -1.216 31.304 32.500 0.033 0.000 0.743 129 K HN 0.254 nan 8.250 nan 0.000 0.445 130 V N 1.173 121.107 119.914 0.033 0.000 2.409 130 V HA -0.274 3.846 4.120 -0.001 0.000 0.261 130 V C 1.896 178.020 176.094 0.048 0.000 1.099 130 V CA 1.815 64.129 62.300 0.024 0.000 1.100 130 V CB -0.530 31.302 31.823 0.015 0.000 0.677 130 V HN 0.387 nan 8.190 nan 0.000 0.460 131 L N -0.975 120.293 121.223 0.074 0.000 1.982 131 L HA 0.001 4.341 4.340 -0.001 0.000 0.206 131 L C 2.635 179.601 176.870 0.160 0.000 1.078 131 L CA 2.143 57.060 54.840 0.129 0.000 0.749 131 L CB -1.414 40.714 42.059 0.115 0.000 0.894 131 L HN 0.330 nan 8.230 nan 0.000 0.436 132 L N -0.350 120.951 121.223 0.130 0.000 2.030 132 L HA -0.333 4.007 4.340 -0.001 0.000 0.222 132 L C 2.673 179.590 176.870 0.078 0.000 1.082 132 L CA 1.807 56.721 54.840 0.124 0.000 0.785 132 L CB -1.209 40.904 42.059 0.089 0.000 0.895 132 L HN 0.414 nan 8.230 nan 0.000 0.439 133 Q N -0.323 119.508 119.800 0.052 0.000 1.978 133 Q HA -0.252 4.088 4.340 -0.001 0.000 0.211 133 Q C 2.275 178.263 176.000 -0.020 0.000 1.013 133 Q CA 2.269 58.085 55.803 0.021 0.000 0.869 133 Q CB -0.380 28.368 28.738 0.016 0.000 0.953 133 Q HN 0.556 nan 8.270 nan 0.000 0.415 134 Q N -0.288 119.501 119.800 -0.018 0.000 2.096 134 Q HA -0.247 4.092 4.340 -0.001 0.000 0.208 134 Q C 2.129 177.946 176.000 -0.305 0.000 0.993 134 Q CA 1.707 57.449 55.803 -0.102 0.000 0.862 134 Q CB -0.819 27.921 28.738 0.004 0.000 0.915 134 Q HN 0.389 nan 8.270 nan 0.000 0.416 135 L N 1.034 122.106 121.223 -0.251 0.000 1.971 135 L HA -0.207 4.133 4.340 -0.001 0.000 0.215 135 L C 2.263 178.970 176.870 -0.272 0.000 1.072 135 L CA 1.697 56.294 54.840 -0.405 0.000 0.758 135 L CB -0.776 41.394 42.059 0.184 0.000 0.889 135 L HN 0.203 nan 8.230 nan 0.000 0.433 136 I N -0.932 119.555 120.570 -0.138 0.000 2.052 136 I HA -0.411 3.759 4.170 -0.001 0.000 0.235 136 I C 2.443 178.439 176.117 -0.201 0.000 1.046 136 I CA 1.801 63.011 61.300 -0.149 0.000 1.308 136 I CB -0.690 37.275 38.000 -0.058 0.000 1.031 136 I HN 0.358 nan 8.210 nan 0.000 0.395 137 S N 0.725 116.337 115.700 -0.146 0.000 2.404 137 S HA -0.310 4.159 4.470 -0.001 0.000 0.230 137 S C 2.027 176.452 174.600 -0.291 0.000 1.046 137 S CA 2.709 60.823 58.200 -0.142 0.000 1.135 137 S CB -1.251 61.928 63.200 -0.036 0.000 1.056 137 S HN 0.710 nan 8.310 nan 0.000 0.426 138 T N 0.673 114.978 114.554 -0.416 0.000 2.760 138 T HA -0.142 4.207 4.350 -0.001 0.000 0.269 138 T C 1.641 175.722 174.700 -1.031 0.000 1.047 138 T CA 1.539 63.181 62.100 -0.762 0.000 1.139 138 T CB -0.685 67.680 68.868 -0.838 0.000 0.855 138 T HN 0.365 nan 8.240 nan 0.000 0.471 139 I N 1.693 121.993 120.570 -0.450 0.000 2.277 139 I HA -0.113 4.057 4.170 -0.001 0.000 0.243 139 I C 2.722 178.675 176.117 -0.273 0.000 1.094 139 I CA 1.351 62.567 61.300 -0.140 0.000 1.393 139 I CB -0.224 37.572 38.000 -0.340 0.000 1.078 139 I HN 0.454 nan 8.210 nan 0.000 0.417 140 S N 0.642 116.171 115.700 -0.284 0.000 2.584 140 S HA -0.103 4.367 4.470 -0.001 0.000 0.240 140 S C 1.356 175.854 174.600 -0.170 0.000 0.975 140 S CA 1.233 59.317 58.200 -0.193 0.000 0.949 140 S CB -0.463 62.657 63.200 -0.133 0.000 0.761 140 S HN 0.469 nan 8.310 nan 0.000 0.536 141 N N 0.307 118.851 118.700 -0.259 0.000 2.482 141 N HA 0.193 4.933 4.740 -0.001 0.000 0.179 141 N C 1.146 176.568 175.510 -0.147 0.000 1.039 141 N CA 0.582 53.483 53.050 -0.247 0.000 0.884 141 N CB -0.478 37.802 38.487 -0.344 0.000 1.113 141 N HN 0.462 nan 8.380 nan 0.000 0.440 142 W N 2.286 123.554 121.300 -0.054 0.000 2.392 142 W HA 0.040 4.700 4.660 -0.001 0.000 0.279 142 W C 1.736 178.287 176.519 0.053 0.000 1.225 142 W CA 0.628 58.005 57.345 0.054 0.000 1.233 142 W CB -0.217 29.377 29.460 0.223 0.000 1.122 142 W HN 0.201 nan 8.180 nan 0.000 0.561 143 K N 0.683 121.204 120.400 0.201 0.000 1.967 143 K HA -0.150 4.170 4.320 -0.001 0.000 0.212 143 K C 1.389 178.029 176.600 0.066 0.000 1.044 143 K CA 1.464 57.824 56.287 0.123 0.000 0.942 143 K CB -0.732 31.782 32.500 0.023 0.000 0.726 143 K HN 0.102 nan 8.250 nan 0.000 0.440 144 N N 0.865 119.566 118.700 0.002 0.000 2.659 144 N HA -0.159 4.581 4.740 -0.001 0.000 0.194 144 N C 0.035 175.539 175.510 -0.010 0.000 1.140 144 N CA 0.590 53.625 53.050 -0.025 0.000 0.936 144 N CB 0.022 38.469 38.487 -0.067 0.000 0.970 144 N HN 0.186 nan 8.380 nan 0.000 0.449 145 D N -0.478 119.942 120.400 0.033 0.000 2.696 145 D HA 0.201 4.841 4.640 -0.001 0.000 0.269 145 D C 0.460 176.805 176.300 0.074 0.000 1.319 145 D CA -0.134 53.893 54.000 0.045 0.000 0.826 145 D CB 0.048 40.883 40.800 0.058 0.000 1.086 145 D HN 0.059 nan 8.370 nan 0.000 0.481 146 L N -0.636 120.625 121.223 0.063 0.000 4.061 146 L HA -0.074 4.266 4.340 -0.001 0.000 0.466 146 L C 0.515 177.440 176.870 0.093 0.000 1.140 146 L CA 1.587 56.465 54.840 0.064 0.000 0.764 146 L CB -3.050 39.026 42.059 0.029 0.000 1.688 146 L HN 0.388 nan 8.230 nan 0.000 0.855 147 K N -0.205 120.289 120.400 0.156 0.000 2.270 147 K HA 0.996 5.316 4.320 -0.001 0.000 0.255 147 K C 0.595 177.300 176.600 0.175 0.000 0.936 147 K CA 0.391 56.779 56.287 0.169 0.000 0.809 147 K CB 0.699 33.341 32.500 0.237 0.000 1.131 147 K HN 2.338 nan 8.250 nan 0.000 0.427 148 T N 0.949 115.532 114.554 0.048 0.000 2.856 148 T HA 0.542 4.891 4.350 -0.001 0.000 0.306 148 T C -0.073 174.434 174.700 -0.321 0.000 1.062 148 T CA -0.376 61.680 62.100 -0.073 0.000 1.083 148 T CB -0.010 68.809 68.868 -0.082 0.000 0.984 148 T HN 0.510 nan 8.240 nan 0.000 0.542 149 P HA 0.089 nan 4.420 nan 0.000 0.239 149 P C 1.546 178.485 177.300 -0.602 0.000 1.184 149 P CA 1.634 63.989 63.100 -1.242 0.000 0.760 149 P CB -0.244 30.681 31.700 -1.291 0.000 0.884 150 S N -2.283 113.206 115.700 -0.351 0.000 2.655 150 S HA 0.097 4.566 4.470 -0.001 0.000 0.231 150 S C 2.594 177.110 174.600 -0.141 0.000 1.044 150 S CA 1.074 59.154 58.200 -0.199 0.000 0.910 150 S CB -0.905 62.215 63.200 -0.134 0.000 0.833 150 S HN 0.449 nan 8.310 nan 0.000 0.581 151 Q N 1.286 121.022 119.800 -0.106 0.000 2.291 151 Q HA 0.258 4.597 4.340 -0.001 0.000 0.206 151 Q C 2.183 178.166 176.000 -0.029 0.000 0.976 151 Q CA 1.638 57.415 55.803 -0.043 0.000 0.875 151 Q CB -1.301 27.431 28.738 -0.010 0.000 0.927 151 Q HN 0.751 nan 8.270 nan 0.000 0.450 152 A N 0.289 123.040 122.820 -0.115 0.000 1.970 152 A HA 0.409 4.729 4.320 -0.001 0.000 0.216 152 A C 2.635 180.138 177.584 -0.133 0.000 1.170 152 A CA 1.475 53.419 52.037 -0.155 0.000 0.645 152 A CB -0.468 18.167 19.000 -0.609 0.000 0.816 152 A HN 1.048 nan 8.150 nan 0.000 0.447 153 A N -0.225 122.503 122.820 -0.154 0.000 2.014 153 A HA 0.303 4.622 4.320 -0.001 0.000 0.218 153 A C 2.339 179.920 177.584 -0.006 0.000 1.163 153 A CA 1.601 53.592 52.037 -0.076 0.000 0.652 153 A CB -0.648 18.303 19.000 -0.082 0.000 0.808 153 A HN 0.811 nan 8.150 nan 0.000 0.449 154 A N -0.130 122.688 122.820 -0.003 0.000 1.840 154 A HA 0.268 4.588 4.320 -0.001 0.000 0.214 154 A C 2.087 179.707 177.584 0.060 0.000 1.198 154 A CA 1.610 53.661 52.037 0.023 0.000 0.608 154 A CB -1.168 17.842 19.000 0.017 0.000 0.839 154 A HN 0.977 nan 8.150 nan 0.000 0.443 155 S N -0.269 115.485 115.700 0.090 0.000 3.305 155 S HA 0.568 5.037 4.470 -0.001 0.000 0.248 155 S C 0.289 175.015 174.600 0.210 0.000 1.288 155 S CA 0.387 58.674 58.200 0.145 0.000 1.249 155 S CB -1.097 62.214 63.200 0.185 0.000 1.116 155 S HN 1.170 nan 8.310 nan 0.000 0.465 156 A N 0.545 123.460 122.820 0.158 0.000 2.353 156 A HA 0.820 5.140 4.320 -0.001 0.000 0.299 156 A C -0.363 177.303 177.584 0.138 0.000 1.089 156 A CA -0.098 52.052 52.037 0.188 0.000 0.736 156 A CB 0.757 19.843 19.000 0.144 0.000 1.195 156 A HN 1.516 nan 8.150 nan 0.000 0.447 157 I N 0.910 121.569 120.570 0.149 0.000 2.503 157 I HA 0.875 5.044 4.170 -0.001 0.000 0.282 157 I C 0.300 176.483 176.117 0.110 0.000 1.059 157 I CA 0.160 61.525 61.300 0.108 0.000 1.081 157 I CB 0.670 38.725 38.000 0.091 0.000 1.210 157 I HN 2.265 nan 8.210 nan 0.000 0.450 158 G N 2.924 111.778 108.800 0.090 0.000 2.334 158 G HA2 0.219 4.178 3.960 -0.001 0.000 0.566 158 G HA3 0.219 4.178 3.960 -0.001 0.000 0.566 158 G C -0.045 174.898 174.900 0.070 0.000 1.413 158 G CA 0.074 45.222 45.100 0.081 0.000 0.993 158 G HN 0.770 nan 8.290 nan 0.000 0.642 159 E N 0.283 120.508 120.200 0.041 0.000 2.004 159 E HA -0.091 4.258 4.350 -0.001 0.000 0.192 159 E C 2.607 179.199 176.600 -0.013 0.000 0.987 159 E CA 0.978 57.386 56.400 0.013 0.000 0.822 159 E CB -0.251 29.445 29.700 -0.005 0.000 0.779 159 E HN 0.583 nan 8.360 nan 0.000 0.458 160 R N 1.489 121.958 120.500 -0.052 0.000 2.261 160 R HA -0.186 4.153 4.340 -0.001 0.000 0.236 160 R C 0.879 177.053 176.300 -0.210 0.000 1.141 160 R CA 1.465 57.443 56.100 -0.204 0.000 1.001 160 R CB -0.231 29.937 30.300 -0.220 0.000 0.866 160 R HN 0.050 nan 8.270 nan 0.000 0.468 161 D N 0.969 121.440 120.400 0.118 0.000 2.110 161 D HA -0.123 4.517 4.640 -0.001 0.000 0.202 161 D C 1.995 178.484 176.300 0.314 0.000 0.975 161 D CA 1.822 56.061 54.000 0.398 0.000 0.839 161 D CB -0.203 40.803 40.800 0.344 0.000 0.996 161 D HN 0.425 nan 8.370 nan 0.000 0.464 162 R N 0.923 121.519 120.500 0.160 0.000 2.193 162 R HA 0.003 4.343 4.340 -0.001 0.000 0.229 162 R C 1.999 178.357 176.300 0.096 0.000 1.110 162 R CA 0.896 57.061 56.100 0.107 0.000 0.988 162 R CB -0.914 29.419 30.300 0.055 0.000 0.871 162 R HN 0.211 nan 8.270 nan 0.000 0.458 163 I N 0.023 120.628 120.570 0.058 0.000 2.133 163 I HA -0.208 3.962 4.170 -0.001 0.000 0.238 163 I C 1.716 177.927 176.117 0.156 0.000 1.074 163 I CA 1.270 62.586 61.300 0.025 0.000 1.342 163 I CB -0.339 37.563 38.000 -0.163 0.000 1.053 163 I HN 0.046 nan 8.210 nan 0.000 0.404 164 F N 1.364 121.408 119.950 0.156 0.000 2.043 164 F HA -0.332 4.194 4.527 -0.001 0.000 0.297 164 F C 2.704 178.541 175.800 0.061 0.000 1.118 164 F CA 1.523 59.635 58.000 0.186 0.000 1.202 164 F CB -1.416 37.793 39.000 0.349 0.000 0.965 164 F HN 0.075 nan 8.300 nan 0.000 0.482 165 A N -0.909 122.009 122.820 0.162 0.000 1.903 165 A HA -0.324 3.995 4.320 -0.001 0.000 0.219 165 A C 2.335 179.889 177.584 -0.051 0.000 1.191 165 A CA 2.264 54.188 52.037 -0.188 0.000 0.638 165 A CB -1.485 17.421 19.000 -0.156 0.000 0.823 165 A HN 0.620 nan 8.150 nan 0.000 0.451 166 H N -0.539 118.521 119.070 -0.018 0.000 2.253 166 H HA -0.193 4.363 4.556 -0.001 0.000 0.296 166 H C 2.299 177.668 175.328 0.068 0.000 1.074 166 H CA 2.230 58.277 56.048 -0.003 0.000 1.263 166 H CB -0.348 29.421 29.762 0.012 0.000 1.363 166 H HN 0.522 nan 8.280 nan 0.000 0.489 167 C N 1.232 120.591 119.300 0.099 0.000 2.396 167 C HA -0.206 4.253 4.460 -0.001 0.000 0.277 167 C C 2.673 177.776 174.990 0.188 0.000 1.231 167 C CA 1.126 60.217 59.018 0.121 0.000 1.775 167 C CB -1.761 26.143 27.740 0.274 0.000 2.036 167 C HN 0.682 nan 8.230 nan 0.000 0.484 168 Y N 2.546 122.848 120.300 0.003 0.000 2.070 168 Y HA -0.042 4.507 4.550 -0.001 0.000 0.280 168 Y C 2.443 178.339 175.900 -0.006 0.000 1.148 168 Y CA 1.437 59.519 58.100 -0.030 0.000 1.125 168 Y CB -1.409 36.869 38.460 -0.303 0.000 0.975 168 Y HN 0.263 nan 8.280 nan 0.000 0.492 169 G N 1.626 110.397 108.800 -0.047 0.000 2.606 169 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.221 169 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.221 169 G C 1.741 176.622 174.900 -0.031 0.000 1.152 169 G CA 1.387 46.380 45.100 -0.178 0.000 0.765 169 G HN 0.432 nan 8.290 nan 0.000 0.595 170 L N -0.854 120.344 121.223 -0.042 0.000 2.056 170 L HA -0.031 4.309 4.340 -0.001 0.000 0.207 170 L C 2.446 179.406 176.870 0.151 0.000 1.078 170 L CA 1.607 56.452 54.840 0.009 0.000 0.749 170 L CB -1.306 40.739 42.059 -0.024 0.000 0.901 170 L HN 0.409 nan 8.230 nan 0.000 0.433 171 Y N 1.523 121.894 120.300 0.118 0.000 2.062 171 Y HA -0.341 4.208 4.550 -0.001 0.000 0.272 171 Y C 2.587 178.567 175.900 0.133 0.000 1.117 171 Y CA 2.210 60.386 58.100 0.127 0.000 1.095 171 Y CB -0.493 38.044 38.460 0.129 0.000 0.985 171 Y HN 0.277 nan 8.280 nan 0.000 0.479 172 D N -0.098 120.598 120.400 0.494 0.000 2.191 172 D HA -0.297 4.343 4.640 -0.001 0.000 0.195 172 D C 2.075 178.430 176.300 0.092 0.000 1.003 172 D CA 1.769 55.958 54.000 0.315 0.000 0.867 172 D CB -0.390 40.685 40.800 0.460 0.000 0.926 172 D HN 0.516 nan 8.370 nan 0.000 0.450 173 A N -0.102 122.769 122.820 0.085 0.000 1.851 173 A HA -0.264 4.056 4.320 -0.001 0.000 0.216 173 A C 2.276 179.883 177.584 0.038 0.000 1.195 173 A CA 1.948 54.005 52.037 0.034 0.000 0.622 173 A CB -1.238 17.773 19.000 0.019 0.000 0.831 173 A HN 0.506 nan 8.150 nan 0.000 0.444 174 H N -0.022 118.994 119.070 -0.089 0.000 2.353 174 H HA -0.077 4.478 4.556 -0.001 0.000 0.300 174 H C 1.966 177.185 175.328 -0.182 0.000 1.090 174 H CA 1.633 57.611 56.048 -0.118 0.000 1.327 174 H CB -0.357 29.338 29.762 -0.111 0.000 1.383 174 H HN 0.240 nan 8.280 nan 0.000 0.508 175 L N 1.268 122.429 121.223 -0.103 0.000 1.956 175 L HA -0.213 4.127 4.340 -0.001 0.000 0.216 175 L C 2.557 179.368 176.870 -0.098 0.000 1.073 175 L CA 1.748 56.452 54.840 -0.227 0.000 0.762 175 L CB -1.147 40.714 42.059 -0.330 0.000 0.889 175 L HN 0.282 nan 8.230 nan 0.000 0.433 176 K N -0.704 119.665 120.400 -0.052 0.000 2.173 176 K HA -0.226 4.093 4.320 -0.001 0.000 0.207 176 K C 1.926 178.517 176.600 -0.016 0.000 1.046 176 K CA 1.603 57.877 56.287 -0.022 0.000 0.929 176 K CB -0.069 32.429 32.500 -0.004 0.000 0.720 176 K HN 0.383 nan 8.250 nan 0.000 0.453 177 A N 0.674 123.486 122.820 -0.014 0.000 1.850 177 A HA -0.110 4.210 4.320 -0.001 0.000 0.212 177 A C 2.364 179.937 177.584 -0.019 0.000 1.208 177 A CA 1.182 53.205 52.037 -0.024 0.000 0.609 177 A CB -0.657 18.311 19.000 -0.053 0.000 0.860 177 A HN 0.435 nan 8.150 nan 0.000 0.448 178 C N 0.363 119.664 119.300 0.001 0.000 2.491 178 C HA 0.174 4.634 4.460 -0.001 0.000 0.277 178 C C 1.037 176.019 174.990 -0.013 0.000 1.455 178 C CA 0.239 59.261 59.018 0.007 0.000 1.758 178 C CB -2.085 25.704 27.740 0.081 0.000 1.745 178 C HN 0.768 nan 8.230 nan 0.000 0.558 179 N N 0.021 118.708 118.700 -0.021 0.000 2.688 179 N HA -0.194 4.546 4.740 -0.001 0.000 0.261 179 N C -0.788 174.715 175.510 -0.013 0.000 1.116 179 N CA 0.562 53.615 53.050 0.006 0.000 0.689 179 N CB -0.710 37.811 38.487 0.058 0.000 0.882 179 N HN 0.514 nan 8.380 nan 0.000 0.554 180 V N 1.154 120.994 119.914 -0.123 0.000 3.114 180 V HA 0.903 5.023 4.120 -0.001 0.000 0.308 180 V C -1.609 174.350 176.094 -0.226 0.000 1.168 180 V CA -0.704 61.464 62.300 -0.219 0.000 1.015 180 V CB 2.137 33.605 31.823 -0.592 0.000 1.050 180 V HN 0.283 nan 8.190 nan 0.000 0.433 181 L N 2.561 123.669 121.223 -0.191 0.000 2.464 181 L HA 0.765 5.104 4.340 -0.001 0.000 0.266 181 L C -0.658 176.121 176.870 -0.151 0.000 0.965 181 L CA -0.755 53.984 54.840 -0.168 0.000 0.833 181 L CB 1.128 43.063 42.059 -0.206 0.000 1.296 181 L HN 0.836 nan 8.230 nan 0.000 0.405 182 D N 0.458 120.807 120.400 -0.084 0.000 2.377 182 D HA 0.307 4.946 4.640 -0.001 0.000 0.245 182 D C 0.835 177.033 176.300 -0.170 0.000 1.196 182 D CA -0.381 53.552 54.000 -0.112 0.000 0.962 182 D CB 0.485 41.345 40.800 0.101 0.000 1.127 182 D HN 0.337 nan 8.370 nan 0.000 0.471 183 F N -0.013 119.898 119.950 -0.065 0.000 2.115 183 F HA -0.161 4.366 4.527 -0.001 0.000 0.300 183 F C 1.784 177.468 175.800 -0.193 0.000 1.092 183 F CA 1.707 59.565 58.000 -0.236 0.000 1.245 183 F CB -1.018 37.737 39.000 -0.408 0.000 0.995 183 F HN 0.385 nan 8.300 nan 0.000 0.481 184 D N -0.152 120.303 120.400 0.093 0.000 2.190 184 D HA -0.190 4.450 4.640 -0.001 0.000 0.200 184 D C 1.724 178.043 176.300 0.031 0.000 0.992 184 D CA 1.561 55.600 54.000 0.065 0.000 0.854 184 D CB -0.362 40.459 40.800 0.036 0.000 0.936 184 D HN 0.354 nan 8.370 nan 0.000 0.462 185 D N 0.278 120.680 120.400 0.002 0.000 2.218 185 D HA -0.100 4.540 4.640 -0.001 0.000 0.204 185 D C 2.093 178.354 176.300 -0.065 0.000 0.976 185 D CA 0.460 54.438 54.000 -0.038 0.000 0.853 185 D CB -0.030 40.721 40.800 -0.081 0.000 0.939 185 D HN 0.316 nan 8.370 nan 0.000 0.481 186 L N 0.614 121.815 121.223 -0.037 0.000 2.131 186 L HA -0.155 4.185 4.340 -0.001 0.000 0.210 186 L C 2.324 179.194 176.870 0.000 0.000 1.092 186 L CA 0.598 55.422 54.840 -0.027 0.000 0.759 186 L CB -0.113 41.979 42.059 0.055 0.000 0.903 186 L HN 0.063 nan 8.230 nan 0.000 0.435 187 I N -0.462 120.128 120.570 0.033 0.000 2.556 187 I HA -0.129 4.041 4.170 -0.001 0.000 0.251 187 I C 2.312 178.402 176.117 -0.045 0.000 1.105 187 I CA 1.019 62.315 61.300 -0.007 0.000 1.436 187 I CB -0.749 37.230 38.000 -0.035 0.000 1.139 187 I HN 0.202 nan 8.210 nan 0.000 0.438 188 L N -0.076 121.128 121.223 -0.033 0.000 2.353 188 L HA -0.160 4.180 4.340 -0.001 0.000 0.220 188 L C 2.451 179.297 176.870 -0.040 0.000 1.133 188 L CA 0.718 55.541 54.840 -0.030 0.000 0.798 188 L CB -0.623 41.433 42.059 -0.005 0.000 0.922 188 L HN 0.250 nan 8.230 nan 0.000 0.445 189 L N 0.666 121.851 121.223 -0.064 0.000 2.062 189 L HA 0.053 4.392 4.340 -0.001 0.000 0.202 189 L C 0.072 176.895 176.870 -0.078 0.000 1.079 189 L CA 1.761 56.556 54.840 -0.075 0.000 0.755 189 L CB -1.797 40.188 42.059 -0.124 0.000 0.913 189 L HN 0.095 nan 8.230 nan 0.000 0.445 190 P HA -0.164 nan 4.420 nan 0.000 0.213 190 P C 1.675 178.902 177.300 -0.121 0.000 1.170 190 P CA 2.766 65.775 63.100 -0.152 0.000 0.902 190 P CB -0.254 31.316 31.700 -0.217 0.000 0.789 191 T N -1.327 113.167 114.554 -0.100 0.000 2.594 191 T HA -0.273 4.076 4.350 -0.001 0.000 0.266 191 T C 1.800 176.471 174.700 -0.049 0.000 1.070 191 T CA 1.788 63.845 62.100 -0.071 0.000 1.166 191 T CB -1.593 67.243 68.868 -0.053 0.000 0.862 191 T HN -0.001 nan 8.240 nan 0.000 0.436 192 L N 0.341 121.542 121.223 -0.037 0.000 1.970 192 L HA -0.036 4.304 4.340 -0.001 0.000 0.212 192 L C 2.855 179.717 176.870 -0.013 0.000 1.071 192 L CA 1.076 55.904 54.840 -0.019 0.000 0.751 192 L CB -0.876 41.177 42.059 -0.010 0.000 0.889 192 L HN 0.208 nan 8.230 nan 0.000 0.432 193 L N -0.185 121.028 121.223 -0.016 0.000 2.064 193 L HA -0.269 4.071 4.340 -0.001 0.000 0.216 193 L C 2.406 179.278 176.870 0.003 0.000 1.077 193 L CA 1.989 56.830 54.840 0.002 0.000 0.766 193 L CB -0.836 41.221 42.059 -0.002 0.000 0.890 193 L HN 0.177 nan 8.230 nan 0.000 0.435 194 L N -0.872 120.334 121.223 -0.029 0.000 2.072 194 L HA -0.168 4.172 4.340 -0.001 0.000 0.205 194 L C 2.681 179.556 176.870 0.008 0.000 1.079 194 L CA 1.815 56.644 54.840 -0.019 0.000 0.752 194 L CB -0.621 41.393 42.059 -0.076 0.000 0.906 194 L HN 0.541 nan 8.230 nan 0.000 0.436 195 Q N -1.634 118.165 119.800 -0.002 0.000 2.245 195 Q HA 0.072 4.411 4.340 -0.001 0.000 0.201 195 Q C 1.983 177.990 176.000 0.012 0.000 0.955 195 Q CA 1.207 57.013 55.803 0.005 0.000 0.870 195 Q CB -0.668 28.067 28.738 -0.006 0.000 0.945 195 Q HN 0.286 nan 8.270 nan 0.000 0.461 196 A N 0.459 123.286 122.820 0.012 0.000 2.014 196 A HA -0.010 4.310 4.320 -0.001 0.000 0.218 196 A C 0.751 178.349 177.584 0.024 0.000 1.163 196 A CA 0.937 52.983 52.037 0.016 0.000 0.652 196 A CB -0.297 18.712 19.000 0.014 0.000 0.808 196 A HN 0.415 nan 8.150 nan 0.000 0.449 197 N N -0.901 117.819 118.700 0.034 0.000 2.269 197 N HA 0.286 5.026 4.740 -0.001 0.000 0.304 197 N C 0.600 176.143 175.510 0.055 0.000 1.072 197 N CA -0.340 52.737 53.050 0.045 0.000 0.802 197 N CB 1.298 39.819 38.487 0.056 0.000 1.348 197 N HN 0.116 nan 8.380 nan 0.000 0.484 198 E N 1.632 121.863 120.200 0.052 0.000 2.127 198 E HA -0.100 4.250 4.350 -0.001 0.000 0.191 198 E C 0.802 177.445 176.600 0.070 0.000 0.964 198 E CA 0.258 56.692 56.400 0.057 0.000 0.832 198 E CB -0.267 29.459 29.700 0.042 0.000 0.790 198 E HN 0.769 nan 8.360 nan 0.000 0.465 199 E N 1.733 121.972 120.200 0.064 0.000 2.086 199 E HA -0.208 4.142 4.350 -0.001 0.000 0.200 199 E C 2.151 178.806 176.600 0.092 0.000 1.012 199 E CA 1.886 58.325 56.400 0.064 0.000 0.812 199 E CB -0.036 29.697 29.700 0.055 0.000 0.743 199 E HN 0.148 nan 8.360 nan 0.000 0.453 200 V N 1.154 121.147 119.914 0.131 0.000 2.244 200 V HA -0.220 3.899 4.120 -0.001 0.000 0.244 200 V C 2.700 178.974 176.094 0.300 0.000 1.042 200 V CA 2.190 64.626 62.300 0.226 0.000 1.006 200 V CB -0.516 31.460 31.823 0.255 0.000 0.641 200 V HN 0.296 nan 8.190 nan 0.000 0.446 201 R N 0.011 120.643 120.500 0.220 0.000 2.179 201 R HA -0.301 4.039 4.340 -0.001 0.000 0.238 201 R C 2.442 178.869 176.300 0.212 0.000 1.119 201 R CA 2.979 59.201 56.100 0.202 0.000 0.915 201 R CB -0.594 29.776 30.300 0.115 0.000 0.870 201 R HN 0.597 nan 8.270 nan 0.000 0.432 202 K N -0.183 120.299 120.400 0.136 0.000 2.015 202 K HA -0.220 4.099 4.320 -0.001 0.000 0.216 202 K C 2.276 178.929 176.600 0.089 0.000 1.052 202 K CA 1.962 58.308 56.287 0.099 0.000 0.937 202 K CB -0.356 32.182 32.500 0.064 0.000 0.719 202 K HN 0.263 nan 8.250 nan 0.000 0.446 203 R N -0.191 120.345 120.500 0.059 0.000 2.159 203 R HA -0.224 4.116 4.340 -0.001 0.000 0.252 203 R C 2.174 178.387 176.300 -0.144 0.000 1.144 203 R CA 2.326 58.387 56.100 -0.066 0.000 0.961 203 R CB -0.370 29.857 30.300 -0.121 0.000 0.877 203 R HN 0.401 nan 8.270 nan 0.000 0.444 204 W N 0.132 121.454 121.300 0.037 0.000 2.453 204 W HA -0.029 4.630 4.660 -0.001 0.000 0.289 204 W C 2.423 178.963 176.519 0.036 0.000 1.215 204 W CA 0.350 57.717 57.345 0.035 0.000 1.297 204 W CB -0.267 29.210 29.460 0.029 0.000 1.113 204 W HN 0.169 nan 8.180 nan 0.000 0.551 205 Q N 0.272 120.216 119.800 0.240 0.000 2.234 205 Q HA -0.237 4.103 4.340 -0.001 0.000 0.206 205 Q C 1.700 177.763 176.000 0.104 0.000 0.980 205 Q CA 1.711 57.608 55.803 0.157 0.000 0.869 205 Q CB -0.302 28.512 28.738 0.126 0.000 0.912 205 Q HN 0.342 nan 8.270 nan 0.000 0.436 206 N N -0.822 117.918 118.700 0.067 0.000 2.392 206 N HA -0.037 4.702 4.740 -0.001 0.000 0.177 206 N C 1.307 176.829 175.510 0.020 0.000 1.066 206 N CA 0.374 53.435 53.050 0.018 0.000 0.895 206 N CB 0.239 38.724 38.487 -0.004 0.000 0.988 206 N HN 0.010 nan 8.380 nan 0.000 0.457 207 K N 0.189 120.609 120.400 0.033 0.000 2.063 207 K HA 0.192 4.511 4.320 -0.001 0.000 0.204 207 K C 0.072 176.764 176.600 0.154 0.000 1.039 207 K CA 0.648 56.972 56.287 0.062 0.000 0.957 207 K CB 0.192 32.619 32.500 -0.121 0.000 0.764 207 K HN 0.066 nan 8.250 nan 0.000 0.447 208 I N 2.888 123.551 120.570 0.154 0.000 2.227 208 I HA 0.087 4.256 4.170 -0.001 0.000 0.297 208 I C 0.743 176.924 176.117 0.106 0.000 1.173 208 I CA -0.055 61.326 61.300 0.135 0.000 1.356 208 I CB 0.397 38.474 38.000 0.128 0.000 1.485 208 I HN 0.211 nan 8.210 nan 0.000 0.604 209 R N 2.815 123.386 120.500 0.119 0.000 2.148 209 R HA -0.047 4.293 4.340 -0.001 0.000 0.227 209 R C -0.268 176.128 176.300 0.160 0.000 1.103 209 R CA 1.051 57.231 56.100 0.134 0.000 0.983 209 R CB 0.158 30.548 30.300 0.149 0.000 0.874 209 R HN 0.434 nan 8.270 nan 0.000 0.451 210 Y N 0.204 120.438 120.300 -0.110 0.000 2.401 210 Y HA 0.335 4.884 4.550 -0.001 0.000 0.330 210 Y C -1.560 174.263 175.900 -0.127 0.000 1.071 210 Y CA -1.747 56.223 58.100 -0.216 0.000 1.049 210 Y CB 1.406 39.486 38.460 -0.633 0.000 1.239 210 Y HN -0.133 nan 8.280 nan 0.000 0.437 211 L N 5.885 126.697 121.223 -0.685 0.000 2.370 211 L HA 0.912 5.252 4.340 -0.001 0.000 0.266 211 L C -2.361 174.197 176.870 -0.520 0.000 1.002 211 L CA -0.873 53.706 54.840 -0.435 0.000 0.818 211 L CB 1.898 43.791 42.059 -0.277 0.000 1.325 211 L HN 0.444 nan 8.230 nan 0.000 0.418 212 L N 4.626 125.674 121.223 -0.291 0.000 2.408 212 L HA 0.807 5.147 4.340 -0.001 0.000 0.268 212 L C -0.834 175.917 176.870 -0.199 0.000 0.986 212 L CA -0.641 54.082 54.840 -0.196 0.000 0.820 212 L CB 2.169 44.181 42.059 -0.079 0.000 1.303 212 L HN 0.406 nan 8.230 nan 0.000 0.411 213 V N 1.136 120.947 119.914 -0.173 0.000 2.525 213 V HA 0.409 4.528 4.120 -0.001 0.000 0.299 213 V C -0.588 175.474 176.094 -0.053 0.000 1.034 213 V CA -0.565 61.634 62.300 -0.168 0.000 0.863 213 V CB 1.806 33.552 31.823 -0.128 0.000 0.999 213 V HN 0.775 nan 8.190 nan 0.000 0.423 214 D N 2.471 122.846 120.400 -0.042 0.000 2.433 214 D HA 0.249 4.888 4.640 -0.001 0.000 0.255 214 D C 0.601 177.024 176.300 0.205 0.000 1.226 214 D CA -0.125 53.901 54.000 0.042 0.000 1.015 214 D CB 0.792 41.598 40.800 0.010 0.000 1.091 214 D HN 0.682 nan 8.370 nan 0.000 0.527 215 E N -0.365 119.929 120.200 0.157 0.000 2.122 215 E HA -0.297 4.053 4.350 -0.001 0.000 0.198 215 E C -0.040 176.684 176.600 0.205 0.000 1.352 215 E CA 0.264 56.736 56.400 0.121 0.000 0.705 215 E CB -1.359 28.374 29.700 0.055 0.000 1.084 215 E HN 0.440 nan 8.360 nan 0.000 0.337 216 Y N 0.858 121.197 120.300 0.066 0.000 2.333 216 Y HA -0.250 4.300 4.550 -0.001 0.000 0.290 216 Y C 2.333 178.218 175.900 -0.025 0.000 1.144 216 Y CA 1.997 60.127 58.100 0.049 0.000 1.228 216 Y CB 0.156 38.589 38.460 -0.045 0.000 0.985 216 Y HN 0.455 nan 8.280 nan 0.000 0.542 217 Q N -0.483 119.293 119.800 -0.039 0.000 2.364 217 Q HA -0.182 4.157 4.340 -0.001 0.000 0.209 217 Q C 0.471 176.324 176.000 -0.244 0.000 0.977 217 Q CA 1.795 57.527 55.803 -0.118 0.000 0.885 217 Q CB -0.442 28.267 28.738 -0.049 0.000 0.941 217 Q HN 0.477 nan 8.270 nan 0.000 0.464 218 D N 1.275 121.446 120.400 -0.383 0.000 2.354 218 D HA 0.033 4.673 4.640 -0.001 0.000 0.209 218 D C -0.075 175.968 176.300 -0.429 0.000 1.015 218 D CA 0.315 53.971 54.000 -0.574 0.000 0.867 218 D CB -0.014 40.074 40.800 -1.186 0.000 0.933 218 D HN 0.175 nan 8.370 nan 0.000 0.520 219 T N 2.378 116.780 114.554 -0.252 0.000 2.866 219 T HA 0.067 4.417 4.350 -0.001 0.000 0.293 219 T C 0.643 175.218 174.700 -0.208 0.000 1.005 219 T CA -0.045 61.953 62.100 -0.169 0.000 1.162 219 T CB 0.149 68.674 68.868 -0.572 0.000 0.968 219 T HN 0.277 nan 8.240 nan 0.000 0.530 220 N N 1.412 120.009 118.700 -0.171 0.000 2.604 220 N HA 0.363 5.102 4.740 -0.001 0.000 0.297 220 N C 1.246 176.712 175.510 -0.073 0.000 1.266 220 N CA -0.797 52.175 53.050 -0.130 0.000 0.961 220 N CB -0.087 38.318 38.487 -0.137 0.000 1.166 220 N HN 0.286 nan 8.380 nan 0.000 0.601 221 T N -0.406 114.124 114.554 -0.040 0.000 2.569 221 T HA -0.225 4.124 4.350 -0.001 0.000 0.263 221 T C 1.834 176.518 174.700 -0.027 0.000 1.074 221 T CA 2.407 64.503 62.100 -0.006 0.000 1.176 221 T CB -1.172 67.683 68.868 -0.021 0.000 0.863 221 T HN 0.661 nan 8.240 nan 0.000 0.410 222 S N 2.116 117.779 115.700 -0.061 0.000 2.368 222 S HA -0.336 4.134 4.470 -0.001 0.000 0.226 222 S C 2.095 176.630 174.600 -0.108 0.000 1.044 222 S CA 1.687 59.842 58.200 -0.074 0.000 1.062 222 S CB -0.873 62.282 63.200 -0.075 0.000 0.931 222 S HN 0.432 nan 8.310 nan 0.000 0.440 223 Q N 0.183 119.849 119.800 -0.224 0.000 1.943 223 Q HA -0.215 4.125 4.340 -0.001 0.000 0.213 223 Q C 2.022 177.970 176.000 -0.087 0.000 1.017 223 Q CA 2.274 57.813 55.803 -0.440 0.000 0.874 223 Q CB -0.705 27.637 28.738 -0.659 0.000 0.960 223 Q HN 0.616 nan 8.270 nan 0.000 0.417 224 Y N 1.283 121.484 120.300 -0.165 0.000 2.040 224 Y HA -0.314 4.236 4.550 -0.001 0.000 0.275 224 Y C 2.113 178.012 175.900 -0.002 0.000 1.171 224 Y CA 1.997 60.075 58.100 -0.038 0.000 1.123 224 Y CB -0.578 37.861 38.460 -0.035 0.000 0.963 224 Y HN 0.265 nan 8.280 nan 0.000 0.493 225 E N -0.163 120.081 120.200 0.073 0.000 2.130 225 E HA -0.224 4.126 4.350 -0.001 0.000 0.196 225 E C 2.285 178.899 176.600 0.023 0.000 0.998 225 E CA 1.317 57.696 56.400 -0.035 0.000 0.806 225 E CB -0.583 29.075 29.700 -0.070 0.000 0.738 225 E HN 0.428 nan 8.360 nan 0.000 0.459 226 L N 0.596 121.836 121.223 0.028 0.000 2.012 226 L HA -0.168 4.171 4.340 -0.001 0.000 0.210 226 L C 2.406 179.308 176.870 0.053 0.000 1.073 226 L CA 1.369 56.220 54.840 0.017 0.000 0.748 226 L CB -0.977 41.092 42.059 0.017 0.000 0.891 226 L HN -0.089 nan 8.230 nan 0.000 0.431 227 V N 0.233 120.218 119.914 0.118 0.000 2.215 227 V HA -0.424 3.696 4.120 -0.001 0.000 0.249 227 V C 2.629 178.766 176.094 0.071 0.000 1.054 227 V CA 2.457 64.802 62.300 0.076 0.000 1.012 227 V CB -0.678 31.207 31.823 0.104 0.000 0.639 227 V HN 0.506 nan 8.190 nan 0.000 0.448 228 K N -0.715 119.791 120.400 0.176 0.000 2.071 228 K HA -0.276 4.043 4.320 -0.001 0.000 0.217 228 K C 2.043 178.720 176.600 0.128 0.000 1.054 228 K CA 1.859 58.278 56.287 0.221 0.000 0.937 228 K CB -0.551 32.034 32.500 0.143 0.000 0.719 228 K HN 0.224 nan 8.250 nan 0.000 0.454 229 L N 1.090 122.354 121.223 0.068 0.000 1.970 229 L HA -0.190 4.150 4.340 -0.001 0.000 0.212 229 L C 2.454 179.361 176.870 0.062 0.000 1.071 229 L CA 1.587 56.455 54.840 0.046 0.000 0.751 229 L CB -1.259 40.806 42.059 0.010 0.000 0.889 229 L HN 0.281 nan 8.230 nan 0.000 0.432 230 L N -0.308 120.941 121.223 0.044 0.000 1.990 230 L HA -0.230 4.109 4.340 -0.001 0.000 0.213 230 L C 2.490 179.407 176.870 0.078 0.000 1.072 230 L CA 1.740 56.614 54.840 0.057 0.000 0.755 230 L CB -0.653 41.414 42.059 0.014 0.000 0.889 230 L HN 0.308 nan 8.230 nan 0.000 0.432 231 V N -2.530 117.421 119.914 0.062 0.000 3.217 231 V HA 0.163 4.283 4.120 -0.001 0.000 0.264 231 V C 1.694 177.891 176.094 0.171 0.000 1.135 231 V CA 0.634 62.996 62.300 0.103 0.000 1.142 231 V CB -1.128 30.731 31.823 0.061 0.000 0.754 231 V HN 0.573 nan 8.190 nan 0.000 0.484 232 G N 0.957 109.846 108.800 0.148 0.000 2.700 232 G HA2 -0.449 3.511 3.960 -0.001 0.000 0.350 232 G HA3 -0.449 3.511 3.960 -0.001 0.000 0.350 232 G C 1.197 176.186 174.900 0.149 0.000 1.250 232 G CA 1.333 46.510 45.100 0.128 0.000 0.978 232 G HN 0.729 nan 8.290 nan 0.000 0.551 233 S N -0.475 115.301 115.700 0.127 0.000 2.483 233 S HA 0.124 4.594 4.470 -0.001 0.000 0.221 233 S C 2.354 177.049 174.600 0.158 0.000 1.030 233 S CA 0.777 59.050 58.200 0.121 0.000 0.925 233 S CB -0.055 63.191 63.200 0.076 0.000 0.795 233 S HN 0.456 nan 8.310 nan 0.000 0.511 234 R N 1.346 121.944 120.500 0.163 0.000 2.120 234 R HA 0.063 4.403 4.340 -0.001 0.000 0.234 234 R C 1.561 177.988 176.300 0.212 0.000 1.123 234 R CA 0.936 57.137 56.100 0.169 0.000 0.975 234 R CB -0.831 29.566 30.300 0.162 0.000 0.866 234 R HN 0.406 nan 8.270 nan 0.000 0.446 235 A N 0.504 123.500 122.820 0.294 0.000 3.153 235 A HA -0.201 4.119 4.320 -0.001 0.000 0.265 235 A C 0.085 177.785 177.584 0.192 0.000 1.212 235 A CA 1.023 53.293 52.037 0.389 0.000 1.018 235 A CB -1.351 17.861 19.000 0.354 0.000 1.130 235 A HN 0.217 nan 8.150 nan 0.000 0.873 236 R N -0.391 120.230 120.500 0.202 0.000 2.498 236 R HA 0.429 4.769 4.340 -0.001 0.000 0.334 236 R C -0.128 176.147 176.300 -0.041 0.000 1.106 236 R CA 1.344 57.584 56.100 0.234 0.000 0.995 236 R CB -1.489 29.055 30.300 0.405 0.000 0.989 236 R HN 1.136 nan 8.270 nan 0.000 0.455 237 F N -2.372 117.375 119.950 -0.338 0.000 2.978 237 F HA 0.415 4.942 4.527 -0.001 0.000 0.324 237 F C -1.268 174.244 175.800 -0.481 0.000 1.157 237 F CA -1.106 56.387 58.000 -0.846 0.000 0.879 237 F CB 1.383 40.048 39.000 -0.558 0.000 1.364 237 F HN -0.020 nan 8.300 nan 0.000 0.465 238 T N 2.278 116.827 114.554 -0.008 0.000 3.422 238 T HA 0.495 4.845 4.350 -0.001 0.000 0.327 238 T C -1.078 173.622 174.700 -0.000 0.000 0.840 238 T CA -0.466 61.593 62.100 -0.068 0.000 1.126 238 T CB 0.496 69.316 68.868 -0.081 0.000 1.008 238 T HN 0.985 nan 8.240 nan 0.000 0.485 239 V N 1.350 121.281 119.914 0.028 0.000 2.881 239 V HA 0.861 4.980 4.120 -0.001 0.000 0.303 239 V C 0.106 176.067 176.094 -0.220 0.000 1.070 239 V CA -0.493 61.658 62.300 -0.248 0.000 1.074 239 V CB 1.240 32.616 31.823 -0.745 0.000 1.012 239 V HN 0.442 nan 8.190 nan 0.000 0.482 240 V N 3.229 123.066 119.914 -0.129 0.000 2.709 240 V HA 0.998 5.117 4.120 -0.001 0.000 0.308 240 V C 0.561 176.655 176.094 0.000 0.000 1.062 240 V CA 0.596 62.848 62.300 -0.080 0.000 0.901 240 V CB 1.215 33.001 31.823 -0.063 0.000 1.003 240 V HN 1.515 nan 8.190 nan 0.000 0.425 241 G N 2.461 111.247 108.800 -0.023 0.000 2.474 241 G HA2 0.564 4.523 3.960 -0.001 0.000 0.234 241 G HA3 0.564 4.523 3.960 -0.001 0.000 0.234 241 G C -2.071 172.813 174.900 -0.025 0.000 1.204 241 G CA 0.004 45.109 45.100 0.010 0.000 0.939 241 G HN 0.609 nan 8.290 nan 0.000 0.491 242 D N -0.223 120.176 120.400 -0.002 0.000 2.266 242 D HA 0.190 4.830 4.640 -0.001 0.000 0.218 242 D C 0.522 176.847 176.300 0.042 0.000 1.311 242 D CA 0.077 54.075 54.000 -0.003 0.000 0.918 242 D CB 0.615 41.386 40.800 -0.048 0.000 1.530 242 D HN 0.345 nan 8.370 nan 0.000 0.514 243 D N 1.431 121.900 120.400 0.115 0.000 2.315 243 D HA -0.199 4.441 4.640 -0.001 0.000 0.211 243 D C 0.730 177.125 176.300 0.159 0.000 0.977 243 D CA 0.763 54.854 54.000 0.153 0.000 0.894 243 D CB 0.179 41.125 40.800 0.243 0.000 0.910 243 D HN 0.266 nan 8.370 nan 0.000 0.490 244 D N -0.096 120.409 120.400 0.176 0.000 2.371 244 D HA -0.041 4.599 4.640 -0.001 0.000 0.221 244 D C 1.249 177.562 176.300 0.022 0.000 0.986 244 D CA 0.493 54.639 54.000 0.244 0.000 0.899 244 D CB -0.015 41.060 40.800 0.459 0.000 0.902 244 D HN 0.451 nan 8.370 nan 0.000 0.530 245 Q N -0.689 119.078 119.800 -0.055 0.000 2.171 245 Q HA 0.150 4.489 4.340 -0.001 0.000 0.218 245 Q C 0.038 176.000 176.000 -0.062 0.000 0.822 245 Q CA -0.116 55.607 55.803 -0.133 0.000 0.987 245 Q CB 0.902 29.525 28.738 -0.191 0.000 1.144 245 Q HN -0.106 nan 8.270 nan 0.000 0.494 246 S N 1.476 117.167 115.700 -0.015 0.000 2.503 246 S HA 0.103 4.573 4.470 -0.001 0.000 0.317 246 S C 0.882 175.488 174.600 0.009 0.000 1.162 246 S CA -0.108 58.084 58.200 -0.013 0.000 1.124 246 S CB -0.303 62.901 63.200 0.006 0.000 1.207 246 S HN 0.498 nan 8.310 nan 0.000 0.538 247 I N 1.841 122.425 120.570 0.024 0.000 4.323 247 I HA 0.372 4.542 4.170 -0.001 0.000 0.328 247 I C -0.295 175.822 176.117 -0.000 0.000 1.310 247 I CA -0.214 61.103 61.300 0.028 0.000 1.186 247 I CB 0.146 38.108 38.000 -0.064 0.000 1.130 247 I HN 0.404 nan 8.210 nan 0.000 0.411 248 Y N 1.746 121.921 120.300 -0.208 0.000 2.933 248 Y HA 0.339 4.889 4.550 -0.001 0.000 0.380 248 Y C 2.144 177.682 175.900 -0.603 0.000 1.056 248 Y CA -0.117 57.607 58.100 -0.628 0.000 1.704 248 Y CB 0.109 38.195 38.460 -0.623 0.000 1.558 248 Y HN 0.163 nan 8.280 nan 0.000 0.501 249 S N 0.663 116.243 115.700 -0.200 0.000 2.402 249 S HA -0.131 4.338 4.470 -0.001 0.000 0.229 249 S C 1.894 176.467 174.600 -0.045 0.000 1.021 249 S CA 1.236 59.391 58.200 -0.076 0.000 0.974 249 S CB -0.186 63.044 63.200 0.050 0.000 0.800 249 S HN 0.811 nan 8.310 nan 0.000 0.484 250 W N 0.986 122.271 121.300 -0.026 0.000 2.611 250 W HA 0.187 4.847 4.660 -0.001 0.000 0.251 250 W C 1.291 177.768 176.519 -0.069 0.000 1.265 250 W CA 0.278 57.589 57.345 -0.057 0.000 1.295 250 W CB -0.655 28.762 29.460 -0.071 0.000 1.129 250 W HN 0.247 nan 8.180 nan 0.000 0.630 251 R N 0.774 121.039 120.500 -0.392 0.000 2.694 251 R HA 0.309 4.649 4.340 -0.001 0.000 0.334 251 R C 1.258 177.419 176.300 -0.233 0.000 1.143 251 R CA 0.595 56.500 56.100 -0.325 0.000 1.073 251 R CB -0.393 29.572 30.300 -0.558 0.000 1.366 251 R HN 0.184 nan 8.270 nan 0.000 0.577 252 G N -1.412 107.285 108.800 -0.172 0.000 2.195 252 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.224 252 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.224 252 G C 0.147 174.965 174.900 -0.138 0.000 0.990 252 G CA -0.148 44.866 45.100 -0.144 0.000 0.639 252 G HN 0.570 nan 8.290 nan 0.000 0.514 253 A N 1.391 124.111 122.820 -0.167 0.000 2.444 253 A HA 0.597 4.917 4.320 -0.001 0.000 0.273 253 A C 0.955 178.476 177.584 -0.105 0.000 1.136 253 A CA 0.360 52.298 52.037 -0.164 0.000 0.799 253 A CB -0.111 18.769 19.000 -0.199 0.000 1.081 253 A HN 0.912 nan 8.150 nan 0.000 0.509 254 R N 4.354 124.801 120.500 -0.088 0.000 2.296 254 R HA 0.260 4.599 4.340 -0.001 0.000 0.323 254 R C -2.206 174.071 176.300 -0.037 0.000 1.067 254 R CA -1.332 54.748 56.100 -0.034 0.000 0.946 254 R CB 0.585 30.894 30.300 0.015 0.000 0.991 254 R HN 0.463 nan 8.270 nan 0.000 0.448 255 P HA -0.184 nan 4.420 nan 0.000 0.216 255 P C 0.331 177.666 177.300 0.059 0.000 1.153 255 P CA 1.136 64.249 63.100 0.020 0.000 0.844 255 P CB 0.207 31.930 31.700 0.039 0.000 0.787 256 Q N -0.157 119.683 119.800 0.067 0.000 2.557 256 Q HA -0.039 4.300 4.340 -0.001 0.000 0.217 256 Q C 1.640 177.725 176.000 0.142 0.000 0.978 256 Q CA 0.300 56.160 55.803 0.096 0.000 0.950 256 Q CB -1.381 27.403 28.738 0.077 0.000 0.991 256 Q HN 0.491 nan 8.270 nan 0.000 0.533 257 N N 0.414 119.179 118.700 0.107 0.000 2.036 257 N HA -0.144 4.596 4.740 -0.001 0.000 0.195 257 N C 1.503 177.186 175.510 0.289 0.000 1.037 257 N CA 0.678 53.798 53.050 0.117 0.000 0.855 257 N CB 0.065 38.430 38.487 -0.203 0.000 1.033 257 N HN 0.155 nan 8.380 nan 0.000 0.423 258 L N 0.733 122.156 121.223 0.333 0.000 2.137 258 L HA -0.177 4.162 4.340 -0.001 0.000 0.213 258 L C 2.068 179.257 176.870 0.532 0.000 1.085 258 L CA 1.393 56.500 54.840 0.445 0.000 0.760 258 L CB -1.183 41.193 42.059 0.529 0.000 0.893 258 L HN 0.175 nan 8.230 nan 0.000 0.434 259 V N -1.060 119.072 119.914 0.363 0.000 2.283 259 V HA -0.178 3.941 4.120 -0.001 0.000 0.239 259 V C 2.475 178.722 176.094 0.253 0.000 1.035 259 V CA 0.498 62.930 62.300 0.221 0.000 1.018 259 V CB -0.472 31.382 31.823 0.051 0.000 0.658 259 V HN 0.148 nan 8.190 nan 0.000 0.459 260 L N -0.003 121.377 121.223 0.260 0.000 2.085 260 L HA -0.276 4.064 4.340 -0.001 0.000 0.218 260 L C 2.343 179.466 176.870 0.421 0.000 1.080 260 L CA 1.760 56.790 54.840 0.316 0.000 0.776 260 L CB -1.552 40.755 42.059 0.412 0.000 0.891 260 L HN 0.279 nan 8.230 nan 0.000 0.437 261 L N -0.669 120.835 121.223 0.468 0.000 1.990 261 L HA -0.297 4.042 4.340 -0.001 0.000 0.213 261 L C 2.477 179.608 176.870 0.434 0.000 1.072 261 L CA 1.983 57.110 54.840 0.478 0.000 0.755 261 L CB -0.317 41.870 42.059 0.214 0.000 0.889 261 L HN 0.347 nan 8.230 nan 0.000 0.432 262 S N -0.543 115.361 115.700 0.341 0.000 2.441 262 S HA -0.255 4.215 4.470 -0.001 0.000 0.242 262 S C 1.692 176.448 174.600 0.260 0.000 1.018 262 S CA 1.379 59.758 58.200 0.298 0.000 0.988 262 S CB -0.175 63.205 63.200 0.300 0.000 0.778 262 S HN 0.560 nan 8.310 nan 0.000 0.498 263 Q N 0.385 120.340 119.800 0.258 0.000 2.263 263 Q HA -0.036 4.303 4.340 -0.001 0.000 0.196 263 Q C 1.361 177.449 176.000 0.146 0.000 0.965 263 Q CA 1.107 57.018 55.803 0.180 0.000 0.851 263 Q CB -0.265 28.552 28.738 0.130 0.000 0.948 263 Q HN 0.590 nan 8.270 nan 0.000 0.516 264 D N -0.217 120.275 120.400 0.155 0.000 2.384 264 D HA -0.111 4.528 4.640 -0.001 0.000 0.222 264 D C -0.328 175.745 176.300 -0.378 0.000 0.976 264 D CA 0.746 54.702 54.000 -0.072 0.000 0.915 264 D CB -0.237 40.513 40.800 -0.083 0.000 0.896 264 D HN 0.037 nan 8.370 nan 0.000 0.523 265 F N 0.752 120.787 119.950 0.143 0.000 2.434 265 F HA 0.281 4.807 4.527 -0.001 0.000 0.355 265 F C -1.348 174.519 175.800 0.113 0.000 1.115 265 F CA -2.403 55.685 58.000 0.146 0.000 1.010 265 F CB 1.796 40.922 39.000 0.208 0.000 1.234 265 F HN -0.276 nan 8.300 nan 0.000 0.439 266 P HA -0.263 nan 4.420 nan 0.000 0.209 266 P C 0.704 178.090 177.300 0.144 0.000 1.167 266 P CA 1.624 64.802 63.100 0.129 0.000 0.941 266 P CB 0.194 31.949 31.700 0.092 0.000 0.787 267 A N -0.349 122.559 122.820 0.146 0.000 3.105 267 A HA 0.269 4.589 4.320 -0.001 0.000 0.272 267 A C 0.503 178.147 177.584 0.100 0.000 1.466 267 A CA -0.513 51.598 52.037 0.124 0.000 1.101 267 A CB -1.598 17.474 19.000 0.121 0.000 1.065 267 A HN 0.182 nan 8.150 nan 0.000 0.643 268 L N 0.472 121.763 121.223 0.112 0.000 2.453 268 L HA 0.219 4.558 4.340 -0.001 0.000 0.272 268 L C -0.250 176.624 176.870 0.008 0.000 1.182 268 L CA 0.661 55.518 54.840 0.029 0.000 0.858 268 L CB 0.376 42.484 42.059 0.081 0.000 1.120 268 L HN 0.142 nan 8.230 nan 0.000 0.474 269 K N 5.632 125.976 120.400 -0.094 0.000 2.484 269 K HA 0.305 4.625 4.320 -0.001 0.000 0.226 269 K C -1.036 175.515 176.600 -0.081 0.000 1.031 269 K CA -0.559 55.726 56.287 -0.002 0.000 1.026 269 K CB 0.844 33.477 32.500 0.221 0.000 1.412 269 K HN 0.426 nan 8.250 nan 0.000 0.492 270 V N 3.843 123.712 119.914 -0.074 0.000 2.599 270 V HA 0.127 4.246 4.120 -0.001 0.000 0.300 270 V C 0.822 176.864 176.094 -0.086 0.000 1.034 270 V CA 0.105 62.316 62.300 -0.149 0.000 1.115 270 V CB 0.057 31.755 31.823 -0.208 0.000 0.934 270 V HN 0.468 nan 8.190 nan 0.000 0.485 271 I N 5.655 126.162 120.570 -0.105 0.000 2.465 271 I HA 0.491 4.660 4.170 -0.001 0.000 0.291 271 I C -0.140 175.926 176.117 -0.085 0.000 1.014 271 I CA -0.734 60.536 61.300 -0.048 0.000 1.093 271 I CB 1.959 39.944 38.000 -0.024 0.000 1.267 271 I HN 0.688 nan 8.210 nan 0.000 0.431 272 K N 6.355 126.718 120.400 -0.061 0.000 2.483 272 K HA 0.467 4.786 4.320 -0.001 0.000 0.256 272 K C -1.341 175.229 176.600 -0.051 0.000 0.961 272 K CA -0.802 55.441 56.287 -0.072 0.000 0.873 272 K CB 2.406 34.861 32.500 -0.076 0.000 1.107 272 K HN 0.327 nan 8.250 nan 0.000 0.432 273 L N 3.015 124.201 121.223 -0.062 0.000 2.360 273 L HA 0.188 4.528 4.340 -0.001 0.000 0.276 273 L C 0.141 176.954 176.870 -0.095 0.000 1.121 273 L CA 0.673 55.475 54.840 -0.062 0.000 0.845 273 L CB 0.296 42.325 42.059 -0.050 0.000 1.143 273 L HN 0.877 nan 8.230 nan 0.000 0.452 274 E N 2.762 122.871 120.200 -0.151 0.000 2.641 274 E HA 0.070 4.419 4.350 -0.001 0.000 0.224 274 E C -0.275 175.943 176.600 -0.636 0.000 0.951 274 E CA -0.084 56.161 56.400 -0.258 0.000 1.102 274 E CB 0.826 30.462 29.700 -0.106 0.000 1.091 274 E HN 0.681 nan 8.360 nan 0.000 0.507 275 Q N 2.206 121.630 119.800 -0.627 0.000 2.322 275 Q HA 0.119 4.459 4.340 -0.001 0.000 0.256 275 Q C -0.373 175.236 176.000 -0.652 0.000 0.960 275 Q CA -0.289 54.962 55.803 -0.920 0.000 0.934 275 Q CB 0.704 28.957 28.738 -0.808 0.000 1.200 275 Q HN 0.019 nan 8.270 nan 0.000 0.435 276 N N 3.007 121.368 118.700 -0.565 0.000 2.445 276 N HA 0.056 4.795 4.740 -0.001 0.000 0.264 276 N C -0.887 174.409 175.510 -0.357 0.000 1.227 276 N CA 0.240 53.121 53.050 -0.280 0.000 0.963 276 N CB 0.557 38.950 38.487 -0.158 0.000 1.188 276 N HN 0.704 nan 8.380 nan 0.000 0.491 277 Y N -0.376 119.870 120.300 -0.089 0.000 2.888 277 Y HA 0.242 4.792 4.550 -0.001 0.000 0.260 277 Y C 1.009 176.874 175.900 -0.058 0.000 1.113 277 Y CA -0.437 57.624 58.100 -0.065 0.000 1.237 277 Y CB 0.439 38.859 38.460 -0.068 0.000 1.307 277 Y HN 0.588 nan 8.280 nan 0.000 0.580 278 R N -2.097 118.437 120.500 0.057 0.000 2.493 278 R HA 0.416 4.756 4.340 -0.001 0.000 0.177 278 R C 0.325 176.620 176.300 -0.008 0.000 0.861 278 R CA 0.078 56.184 56.100 0.011 0.000 1.083 278 R CB 0.082 30.371 30.300 -0.018 0.000 1.328 278 R HN -0.086 nan 8.270 nan 0.000 0.615 279 S N 2.003 117.694 115.700 -0.014 0.000 2.610 279 S HA 0.255 4.725 4.470 -0.001 0.000 0.273 279 S C 0.043 174.634 174.600 -0.015 0.000 1.274 279 S CA -0.477 57.715 58.200 -0.015 0.000 1.023 279 S CB 1.687 64.879 63.200 -0.015 0.000 0.962 279 S HN 0.465 nan 8.310 nan 0.000 0.523 280 S N 1.502 117.192 115.700 -0.018 0.000 2.576 280 S HA 0.216 4.685 4.470 -0.001 0.000 0.272 280 S C 1.566 176.112 174.600 -0.090 0.000 1.352 280 S CA -0.207 57.976 58.200 -0.028 0.000 1.021 280 S CB 0.364 63.548 63.200 -0.027 0.000 0.887 280 S HN 0.854 nan 8.310 nan 0.000 0.542 281 G N 1.382 110.122 108.800 -0.100 0.000 2.462 281 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.220 281 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.220 281 G C 1.706 176.304 174.900 -0.503 0.000 1.121 281 G CA 1.036 46.032 45.100 -0.172 0.000 0.758 281 G HN 1.076 nan 8.290 nan 0.000 0.559 282 R N 0.865 120.910 120.500 -0.759 0.000 2.066 282 R HA 0.135 4.475 4.340 -0.001 0.000 0.232 282 R C 2.327 178.455 176.300 -0.287 0.000 1.131 282 R CA 1.432 57.093 56.100 -0.732 0.000 0.955 282 R CB -0.924 29.066 30.300 -0.518 0.000 0.851 282 R HN 0.373 nan 8.270 nan 0.000 0.432 283 I N 1.402 121.867 120.570 -0.173 0.000 2.076 283 I HA -0.256 3.913 4.170 -0.001 0.000 0.237 283 I C 2.643 178.731 176.117 -0.048 0.000 1.059 283 I CA 1.608 62.869 61.300 -0.065 0.000 1.317 283 I CB -1.341 36.637 38.000 -0.036 0.000 1.037 283 I HN 0.245 nan 8.210 nan 0.000 0.398 284 L N 0.647 121.838 121.223 -0.053 0.000 2.051 284 L HA -0.274 4.066 4.340 -0.001 0.000 0.214 284 L C 2.672 179.528 176.870 -0.023 0.000 1.076 284 L CA 1.814 56.647 54.840 -0.013 0.000 0.758 284 L CB -0.958 41.099 42.059 -0.004 0.000 0.890 284 L HN 0.315 nan 8.230 nan 0.000 0.433 285 K N 0.689 121.044 120.400 -0.076 0.000 1.980 285 K HA -0.301 4.019 4.320 -0.001 0.000 0.223 285 K C 2.188 178.764 176.600 -0.041 0.000 1.052 285 K CA 1.966 58.217 56.287 -0.061 0.000 0.974 285 K CB -0.391 32.021 32.500 -0.147 0.000 0.734 285 K HN 0.221 nan 8.250 nan 0.000 0.447 286 A N 0.995 123.787 122.820 -0.047 0.000 1.881 286 A HA -0.281 4.038 4.320 -0.001 0.000 0.219 286 A C 2.459 180.026 177.584 -0.028 0.000 1.215 286 A CA 3.105 55.130 52.037 -0.019 0.000 0.648 286 A CB -1.450 17.559 19.000 0.015 0.000 0.832 286 A HN 0.679 nan 8.150 nan 0.000 0.455 287 A N -0.602 122.205 122.820 -0.021 0.000 1.883 287 A HA -0.245 4.075 4.320 -0.001 0.000 0.217 287 A C 2.056 179.503 177.584 -0.228 0.000 1.186 287 A CA 2.089 54.084 52.037 -0.070 0.000 0.624 287 A CB -0.734 18.306 19.000 0.066 0.000 0.822 287 A HN 0.591 nan 8.150 nan 0.000 0.444 288 N N 0.016 118.641 118.700 -0.125 0.000 2.223 288 N HA -0.117 4.622 4.740 -0.001 0.000 0.185 288 N C 1.491 176.924 175.510 -0.128 0.000 1.016 288 N CA 1.296 54.269 53.050 -0.129 0.000 0.863 288 N CB -0.220 38.256 38.487 -0.019 0.000 0.983 288 N HN 0.420 nan 8.380 nan 0.000 0.429 289 I N 0.877 121.392 120.570 -0.092 0.000 2.206 289 I HA -0.172 3.998 4.170 -0.001 0.000 0.239 289 I C 2.463 178.530 176.117 -0.085 0.000 1.078 289 I CA 0.389 61.654 61.300 -0.060 0.000 1.367 289 I CB -1.288 36.697 38.000 -0.026 0.000 1.078 289 I HN 0.154 nan 8.210 nan 0.000 0.413 290 L N 1.042 122.204 121.223 -0.102 0.000 2.010 290 L HA -0.294 4.046 4.340 -0.001 0.000 0.219 290 L C 2.586 179.361 176.870 -0.157 0.000 1.077 290 L CA 1.768 56.544 54.840 -0.107 0.000 0.773 290 L CB -0.391 41.600 42.059 -0.115 0.000 0.892 290 L HN 0.207 nan 8.230 nan 0.000 0.436 291 I N 0.164 120.557 120.570 -0.294 0.000 2.335 291 I HA -0.284 3.885 4.170 -0.001 0.000 0.251 291 I C 2.421 178.481 176.117 -0.094 0.000 1.129 291 I CA 1.783 62.910 61.300 -0.289 0.000 1.402 291 I CB -0.791 36.822 38.000 -0.646 0.000 1.069 291 I HN 0.443 nan 8.210 nan 0.000 0.424 292 A N 0.862 123.647 122.820 -0.060 0.000 2.070 292 A HA -0.245 4.075 4.320 -0.001 0.000 0.220 292 A C 1.906 179.489 177.584 -0.003 0.000 1.159 292 A CA 1.869 53.914 52.037 0.014 0.000 0.656 292 A CB -1.124 17.883 19.000 0.012 0.000 0.800 292 A HN 0.682 nan 8.150 nan 0.000 0.453 293 N N 0.040 118.730 118.700 -0.018 0.000 2.289 293 N HA -0.086 4.654 4.740 -0.001 0.000 0.184 293 N C 0.577 176.073 175.510 -0.023 0.000 1.016 293 N CA 0.167 53.216 53.050 -0.001 0.000 0.872 293 N CB -0.112 38.393 38.487 0.031 0.000 0.973 293 N HN 0.452 nan 8.380 nan 0.000 0.433 294 N N 1.590 120.248 118.700 -0.069 0.000 2.530 294 N HA 0.098 4.837 4.740 -0.001 0.000 0.273 294 N C -2.430 172.933 175.510 -0.245 0.000 1.173 294 N CA -1.160 51.805 53.050 -0.141 0.000 0.967 294 N CB 0.855 39.231 38.487 -0.185 0.000 1.109 294 N HN 0.032 nan 8.380 nan 0.000 0.453 295 P HA 0.057 nan 4.420 nan 0.000 0.269 295 P C -1.084 176.003 177.300 -0.355 0.000 1.215 295 P CA 0.496 63.486 63.100 -0.182 0.000 0.780 295 P CB 0.787 32.427 31.700 -0.101 0.000 0.898 296 H N 0.440 119.519 119.070 0.016 0.000 2.877 296 H HA 0.171 4.727 4.556 -0.001 0.000 0.347 296 H C 0.224 175.542 175.328 -0.016 0.000 1.042 296 H CA -0.539 55.520 56.048 0.018 0.000 1.276 296 H CB 2.179 31.971 29.762 0.049 0.000 1.681 296 H HN 0.130 nan 8.280 nan 0.000 0.521 297 V N 4.094 124.097 119.914 0.147 0.000 3.263 297 V HA 0.237 4.357 4.120 -0.001 0.000 0.248 297 V C -0.423 175.552 176.094 -0.199 0.000 1.145 297 V CA 0.706 62.933 62.300 -0.121 0.000 1.107 297 V CB 0.116 31.755 31.823 -0.306 0.000 0.797 297 V HN 0.290 nan 8.190 nan 0.000 0.467 298 F N 2.032 122.023 119.950 0.069 0.000 2.427 298 F HA 0.640 5.166 4.527 -0.001 0.000 0.348 298 F C -0.073 175.636 175.800 -0.153 0.000 1.125 298 F CA -1.700 56.280 58.000 -0.033 0.000 0.989 298 F CB 1.401 40.382 39.000 -0.031 0.000 1.165 298 F HN 0.057 nan 8.300 nan 0.000 0.442 299 E N 4.627 124.911 120.200 0.141 0.000 2.146 299 E HA 0.415 4.765 4.350 -0.001 0.000 0.282 299 E C -0.376 176.243 176.600 0.032 0.000 0.989 299 E CA -0.426 56.002 56.400 0.047 0.000 0.799 299 E CB 1.734 31.478 29.700 0.074 0.000 1.088 299 E HN 0.745 nan 8.360 nan 0.000 0.397 300 K N 0.928 121.329 120.400 0.003 0.000 2.507 300 K HA 0.722 5.041 4.320 -0.001 0.000 0.284 300 K C -0.886 175.744 176.600 0.050 0.000 1.038 300 K CA -1.234 55.071 56.287 0.030 0.000 0.903 300 K CB 1.940 34.444 32.500 0.007 0.000 1.531 300 K HN 0.357 nan 8.250 nan 0.000 0.430 301 R N 0.792 121.350 120.500 0.097 0.000 2.603 301 R HA 0.328 4.668 4.340 -0.001 0.000 0.280 301 R C -1.452 174.967 176.300 0.199 0.000 1.185 301 R CA -0.846 55.331 56.100 0.128 0.000 1.039 301 R CB 0.407 30.782 30.300 0.126 0.000 1.247 301 R HN 0.479 nan 8.270 nan 0.000 0.413 302 L N 2.965 124.263 121.223 0.125 0.000 2.456 302 L HA 0.397 4.736 4.340 -0.001 0.000 0.266 302 L C -0.301 176.697 176.870 0.213 0.000 1.258 302 L CA 0.854 55.728 54.840 0.057 0.000 0.823 302 L CB 0.163 42.256 42.059 0.057 0.000 1.100 302 L HN 0.774 nan 8.230 nan 0.000 0.531 303 F N -1.115 118.808 119.950 -0.045 0.000 2.831 303 F HA 0.339 4.866 4.527 -0.001 0.000 0.310 303 F C -0.705 175.034 175.800 -0.101 0.000 0.977 303 F CA -1.057 56.910 58.000 -0.055 0.000 1.181 303 F CB -0.571 38.404 39.000 -0.041 0.000 1.460 303 F HN 0.344 nan 8.300 nan 0.000 0.723 304 S N 1.962 117.695 115.700 0.055 0.000 2.713 304 S HA 0.590 5.060 4.470 -0.001 0.000 0.283 304 S C 0.333 174.957 174.600 0.041 0.000 1.161 304 S CA -0.460 57.703 58.200 -0.063 0.000 0.999 304 S CB 2.045 65.204 63.200 -0.068 0.000 1.039 304 S HN 0.690 nan 8.310 nan 0.000 0.548 305 E N 0.242 120.427 120.200 -0.025 0.000 2.190 305 E HA 0.186 4.535 4.350 -0.001 0.000 0.191 305 E C 0.692 177.325 176.600 0.054 0.000 0.978 305 E CA -0.010 56.411 56.400 0.035 0.000 0.839 305 E CB -0.269 29.442 29.700 0.019 0.000 0.787 305 E HN 0.613 nan 8.360 nan 0.000 0.473 306 L N 1.598 122.846 121.223 0.043 0.000 2.581 306 L HA -0.092 4.248 4.340 -0.001 0.000 0.299 306 L C 0.906 177.822 176.870 0.076 0.000 1.261 306 L CA 0.217 55.091 54.840 0.056 0.000 0.866 306 L CB 0.239 42.324 42.059 0.043 0.000 1.113 306 L HN 0.112 nan 8.230 nan 0.000 0.514 307 G N 2.887 111.736 108.800 0.082 0.000 2.474 307 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.233 307 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.233 307 G C -0.724 174.268 174.900 0.153 0.000 1.278 307 G CA -0.280 44.888 45.100 0.112 0.000 0.861 307 G HN 0.597 nan 8.290 nan 0.000 0.567 308 Y N 1.066 121.384 120.300 0.030 0.000 2.497 308 Y HA 0.378 4.928 4.550 -0.001 0.000 0.334 308 Y C 1.107 177.026 175.900 0.033 0.000 1.199 308 Y CA 1.284 59.402 58.100 0.030 0.000 1.425 308 Y CB 0.841 39.315 38.460 0.023 0.000 1.291 308 Y HN 0.629 nan 8.280 nan 0.000 0.562 309 G N 2.331 111.202 108.800 0.117 0.000 2.938 309 G HA2 0.597 4.556 3.960 -0.001 0.000 0.258 309 G HA3 0.597 4.556 3.960 -0.001 0.000 0.258 309 G C -0.958 174.008 174.900 0.110 0.000 1.356 309 G CA -0.590 44.573 45.100 0.104 0.000 1.052 309 G HN 0.929 nan 8.290 nan 0.000 0.550 310 A N -0.631 122.237 122.820 0.079 0.000 2.492 310 A HA 0.394 4.714 4.320 -0.001 0.000 0.236 310 A C 0.519 178.133 177.584 0.050 0.000 1.078 310 A CA 0.041 52.116 52.037 0.063 0.000 0.773 310 A CB 0.002 19.030 19.000 0.046 0.000 1.023 310 A HN 0.487 nan 8.150 nan 0.000 0.504 311 E N 0.333 120.559 120.200 0.043 0.000 2.392 311 E HA 0.148 4.498 4.350 -0.001 0.000 0.264 311 E C -0.426 176.177 176.600 0.005 0.000 1.024 311 E CA 0.119 56.535 56.400 0.027 0.000 0.903 311 E CB 0.411 30.122 29.700 0.017 0.000 0.963 311 E HN 0.479 nan 8.360 nan 0.000 0.432 312 L N 3.253 124.475 121.223 -0.002 0.000 2.385 312 L HA 0.183 4.522 4.340 -0.001 0.000 0.281 312 L C 0.829 177.669 176.870 -0.050 0.000 1.106 312 L CA -0.011 54.842 54.840 0.022 0.000 0.856 312 L CB -0.122 41.982 42.059 0.074 0.000 1.186 312 L HN 0.103 nan 8.230 nan 0.000 0.453 313 K N 2.842 123.219 120.400 -0.039 0.000 2.144 313 K HA 0.514 4.833 4.320 -0.001 0.000 0.270 313 K C -0.542 175.973 176.600 -0.142 0.000 1.005 313 K CA -0.655 55.570 56.287 -0.103 0.000 0.932 313 K CB 2.196 34.669 32.500 -0.046 0.000 1.021 313 K HN 0.317 nan 8.250 nan 0.000 0.462 314 V N 4.158 123.872 119.914 -0.334 0.000 2.383 314 V HA 0.090 4.210 4.120 -0.001 0.000 0.261 314 V C -0.401 175.584 176.094 -0.181 0.000 0.987 314 V CA -0.800 61.255 62.300 -0.409 0.000 0.853 314 V CB 0.498 31.607 31.823 -1.190 0.000 1.095 314 V HN 0.625 nan 8.190 nan 0.000 0.461 315 L N 2.226 123.447 121.223 -0.004 0.000 2.584 315 L HA 0.190 4.530 4.340 -0.001 0.000 0.272 315 L C 0.783 177.734 176.870 0.135 0.000 1.195 315 L CA 1.075 55.964 54.840 0.083 0.000 0.920 315 L CB 0.767 42.881 42.059 0.092 0.000 1.173 315 L HN 0.501 nan 8.230 nan 0.000 0.489 316 S N 2.861 118.668 115.700 0.178 0.000 2.422 316 S HA 0.638 5.107 4.470 -0.001 0.000 0.308 316 S C 0.292 174.965 174.600 0.121 0.000 1.097 316 S CA -0.581 57.727 58.200 0.180 0.000 1.099 316 S CB 1.354 64.684 63.200 0.217 0.000 0.976 316 S HN 0.745 nan 8.310 nan 0.000 0.471 317 A N 3.405 126.283 122.820 0.096 0.000 2.281 317 A HA 0.546 4.866 4.320 -0.001 0.000 0.329 317 A C 0.793 178.408 177.584 0.051 0.000 1.122 317 A CA -0.804 51.286 52.037 0.087 0.000 0.850 317 A CB 0.478 19.522 19.000 0.072 0.000 1.207 317 A HN 0.857 nan 8.150 nan 0.000 0.495 318 N N 0.620 119.335 118.700 0.026 0.000 2.278 318 N HA 0.021 4.761 4.740 -0.001 0.000 0.181 318 N C 0.308 175.815 175.510 -0.005 0.000 1.023 318 N CA 0.777 53.816 53.050 -0.019 0.000 0.862 318 N CB -0.022 38.410 38.487 -0.093 0.000 1.003 318 N HN 0.490 nan 8.380 nan 0.000 0.431 319 N N -0.710 117.999 118.700 0.015 0.000 2.653 319 N HA 0.214 4.953 4.740 -0.001 0.000 0.294 319 N C 0.409 175.949 175.510 0.050 0.000 1.305 319 N CA -0.576 52.493 53.050 0.032 0.000 0.827 319 N CB 1.317 39.822 38.487 0.031 0.000 1.415 319 N HN -0.044 nan 8.380 nan 0.000 0.546 320 E N 0.766 121.008 120.200 0.071 0.000 2.070 320 E HA -0.203 4.147 4.350 -0.001 0.000 0.197 320 E C 0.873 177.508 176.600 0.059 0.000 1.004 320 E CA 1.503 57.960 56.400 0.094 0.000 0.805 320 E CB 0.135 29.907 29.700 0.121 0.000 0.744 320 E HN 0.577 nan 8.360 nan 0.000 0.451 321 E N -0.614 119.634 120.200 0.081 0.000 2.122 321 E HA -0.125 4.225 4.350 -0.001 0.000 0.190 321 E C 2.015 178.561 176.600 -0.091 0.000 0.977 321 E CA 0.289 56.752 56.400 0.105 0.000 0.820 321 E CB -0.043 29.818 29.700 0.268 0.000 0.770 321 E HN 0.242 nan 8.360 nan 0.000 0.462 322 H N 0.853 119.834 119.070 -0.149 0.000 2.457 322 H HA -0.122 4.434 4.556 -0.001 0.000 0.297 322 H C 1.920 177.087 175.328 -0.268 0.000 1.092 322 H CA 1.779 57.693 56.048 -0.223 0.000 1.309 322 H CB 0.173 29.866 29.762 -0.116 0.000 1.382 322 H HN 0.205 nan 8.280 nan 0.000 0.535 323 E N -0.165 119.956 120.200 -0.132 0.000 2.023 323 E HA -0.229 4.120 4.350 -0.001 0.000 0.196 323 E C 2.338 178.711 176.600 -0.378 0.000 1.003 323 E CA 1.237 57.544 56.400 -0.155 0.000 0.809 323 E CB -0.258 29.405 29.700 -0.061 0.000 0.755 323 E HN 0.501 nan 8.360 nan 0.000 0.449 324 A N 0.809 123.215 122.820 -0.691 0.000 1.940 324 A HA -0.250 4.070 4.320 -0.001 0.000 0.219 324 A C 1.978 179.070 177.584 -0.819 0.000 1.176 324 A CA 1.819 53.252 52.037 -1.006 0.000 0.631 324 A CB -0.630 17.873 19.000 -0.827 0.000 0.814 324 A HN 0.425 nan 8.150 nan 0.000 0.446 325 E N -0.983 118.534 120.200 -1.138 0.000 2.038 325 E HA -0.254 4.096 4.350 -0.001 0.000 0.195 325 E C 2.337 178.565 176.600 -0.620 0.000 1.000 325 E CA 1.515 57.221 56.400 -1.157 0.000 0.803 325 E CB -0.152 28.864 29.700 -1.140 0.000 0.750 325 E HN 0.521 nan 8.360 nan 0.000 0.448 326 R N 1.017 121.233 120.500 -0.473 0.000 2.066 326 R HA -0.100 4.239 4.340 -0.001 0.000 0.232 326 R C 2.132 178.344 176.300 -0.146 0.000 1.131 326 R CA 1.069 57.016 56.100 -0.255 0.000 0.955 326 R CB -0.872 29.348 30.300 -0.134 0.000 0.851 326 R HN 0.012 nan 8.270 nan 0.000 0.432 327 V N 0.133 119.977 119.914 -0.118 0.000 2.214 327 V HA -0.334 3.785 4.120 -0.001 0.000 0.247 327 V C 2.259 178.275 176.094 -0.131 0.000 1.051 327 V CA 2.603 64.885 62.300 -0.031 0.000 1.003 327 V CB -0.898 30.998 31.823 0.121 0.000 0.635 327 V HN 0.656 nan 8.190 nan 0.000 0.447 328 T N -0.675 113.794 114.554 -0.143 0.000 2.685 328 T HA -0.207 4.143 4.350 -0.001 0.000 0.268 328 T C 1.708 176.336 174.700 -0.121 0.000 1.034 328 T CA 2.225 64.253 62.100 -0.121 0.000 1.149 328 T CB -0.683 68.144 68.868 -0.068 0.000 0.860 328 T HN 0.661 nan 8.240 nan 0.000 0.449 329 G N 0.833 109.549 108.800 -0.140 0.000 2.511 329 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.216 329 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.216 329 G C 1.602 176.473 174.900 -0.049 0.000 1.218 329 G CA 0.808 45.850 45.100 -0.096 0.000 0.788 329 G HN 0.464 nan 8.290 nan 0.000 0.560 330 E N 0.148 120.327 120.200 -0.036 0.000 2.118 330 E HA -0.060 4.290 4.350 -0.001 0.000 0.195 330 E C 2.650 179.248 176.600 -0.002 0.000 0.992 330 E CA 0.233 56.653 56.400 0.033 0.000 0.804 330 E CB -0.269 29.502 29.700 0.118 0.000 0.741 330 E HN 0.250 nan 8.360 nan 0.000 0.458 331 L N 0.691 121.810 121.223 -0.173 0.000 1.971 331 L HA -0.239 4.101 4.340 -0.001 0.000 0.215 331 L C 2.529 179.267 176.870 -0.219 0.000 1.072 331 L CA 1.568 56.179 54.840 -0.382 0.000 0.758 331 L CB -0.952 40.854 42.059 -0.422 0.000 0.889 331 L HN 0.172 nan 8.230 nan 0.000 0.433 332 I N -0.328 120.191 120.570 -0.084 0.000 2.118 332 I HA -0.345 3.824 4.170 -0.001 0.000 0.241 332 I C 2.771 178.960 176.117 0.120 0.000 1.070 332 I CA 1.426 62.739 61.300 0.022 0.000 1.327 332 I CB -0.585 37.422 38.000 0.013 0.000 1.034 332 I HN 0.265 nan 8.210 nan 0.000 0.405 333 A N 0.453 123.347 122.820 0.122 0.000 1.842 333 A HA -0.354 3.965 4.320 -0.001 0.000 0.217 333 A C 2.346 180.063 177.584 0.221 0.000 1.206 333 A CA 2.334 54.477 52.037 0.177 0.000 0.630 333 A CB -1.347 17.718 19.000 0.107 0.000 0.839 333 A HN 0.570 nan 8.150 nan 0.000 0.447 334 H N -0.609 118.510 119.070 0.081 0.000 2.330 334 H HA -0.280 4.275 4.556 -0.001 0.000 0.290 334 H C 1.970 177.424 175.328 0.210 0.000 1.111 334 H CA 2.595 58.704 56.048 0.102 0.000 1.226 334 H CB -0.858 28.968 29.762 0.108 0.000 1.355 334 H HN 0.840 nan 8.280 nan 0.000 0.485 335 H N -1.285 117.982 119.070 0.328 0.000 2.326 335 H HA -0.147 4.409 4.556 -0.001 0.000 0.301 335 H C 2.242 177.751 175.328 0.301 0.000 1.081 335 H CA 0.959 57.190 56.048 0.305 0.000 1.334 335 H CB -0.166 29.603 29.762 0.012 0.000 1.385 335 H HN 0.237 nan 8.280 nan 0.000 0.504 336 F N 1.664 121.688 119.950 0.125 0.000 2.008 336 F HA -0.246 4.280 4.527 -0.001 0.000 0.297 336 F C 2.307 178.146 175.800 0.066 0.000 1.156 336 F CA 1.743 59.753 58.000 0.016 0.000 1.191 336 F CB -1.049 37.953 39.000 0.003 0.000 0.955 336 F HN 0.055 nan 8.300 nan 0.000 0.497 337 V N 0.431 120.391 119.914 0.076 0.000 2.913 337 V HA -0.195 3.925 4.120 -0.001 0.000 0.260 337 V C 1.913 178.020 176.094 0.023 0.000 1.098 337 V CA 1.795 64.035 62.300 -0.099 0.000 1.121 337 V CB -0.835 30.866 31.823 -0.204 0.000 0.714 337 V HN 0.363 nan 8.190 nan 0.000 0.487 338 N N -0.406 118.378 118.700 0.139 0.000 2.414 338 N HA 0.051 4.791 4.740 -0.001 0.000 0.177 338 N C 0.441 176.103 175.510 0.254 0.000 1.062 338 N CA 0.164 53.308 53.050 0.157 0.000 0.890 338 N CB 0.229 38.805 38.487 0.148 0.000 1.070 338 N HN 0.153 nan 8.380 nan 0.000 0.454 339 K N 1.303 121.932 120.400 0.383 0.000 6.236 339 K HA -0.147 4.172 4.320 -0.001 0.000 0.607 339 K C -1.395 175.412 176.600 0.345 0.000 1.570 339 K CA 0.829 57.383 56.287 0.446 0.000 1.551 339 K CB -1.858 30.798 32.500 0.260 0.000 1.812 339 K HN 0.385 nan 8.250 nan 0.000 0.338 340 T N 1.546 116.245 114.554 0.242 0.000 3.446 340 T HA 0.222 4.572 4.350 -0.001 0.000 0.274 340 T C -0.388 174.046 174.700 -0.442 0.000 0.834 340 T CA -0.743 61.332 62.100 -0.041 0.000 1.479 340 T CB 0.243 69.208 68.868 0.162 0.000 0.880 340 T HN 0.422 nan 8.240 nan 0.000 0.567 341 Q N 0.973 120.517 119.800 -0.427 0.000 3.211 341 Q HA -0.214 4.126 4.340 -0.001 0.000 0.364 341 Q C 0.247 176.081 176.000 -0.277 0.000 1.317 341 Q CA 0.849 56.412 55.803 -0.399 0.000 0.823 341 Q CB -0.152 28.533 28.738 -0.088 0.000 1.323 341 Q HN 0.755 nan 8.270 nan 0.000 0.586 342 Y N 1.855 122.285 120.300 0.216 0.000 2.425 342 Y HA -0.342 4.207 4.550 -0.001 0.000 0.285 342 Y C 1.965 178.054 175.900 0.316 0.000 1.170 342 Y CA 1.680 60.014 58.100 0.390 0.000 1.304 342 Y CB -0.618 37.992 38.460 0.251 0.000 0.972 342 Y HN 0.621 nan 8.280 nan 0.000 0.558 343 K N 0.171 120.722 120.400 0.253 0.000 2.148 343 K HA -0.170 4.150 4.320 -0.001 0.000 0.204 343 K C 0.810 177.477 176.600 0.112 0.000 1.050 343 K CA 1.934 58.336 56.287 0.191 0.000 0.942 343 K CB -0.413 32.162 32.500 0.125 0.000 0.724 343 K HN 0.220 nan 8.250 nan 0.000 0.446 344 D N 0.147 120.475 120.400 -0.120 0.000 2.263 344 D HA -0.081 4.559 4.640 -0.001 0.000 0.208 344 D C -0.307 175.745 176.300 -0.413 0.000 0.971 344 D CA 0.927 54.687 54.000 -0.400 0.000 0.867 344 D CB -0.131 40.234 40.800 -0.725 0.000 0.929 344 D HN 0.275 nan 8.370 nan 0.000 0.492 345 Y N 0.071 120.411 120.300 0.068 0.000 2.320 345 Y HA 0.590 5.139 4.550 -0.001 0.000 0.334 345 Y C 0.235 176.072 175.900 -0.105 0.000 1.055 345 Y CA -1.243 56.889 58.100 0.054 0.000 1.143 345 Y CB 1.356 39.835 38.460 0.033 0.000 1.193 345 Y HN -0.217 nan 8.280 nan 0.000 0.477 346 A N 3.776 126.558 122.820 -0.063 0.000 2.393 346 A HA 0.837 5.157 4.320 -0.001 0.000 0.306 346 A C -1.441 176.083 177.584 -0.101 0.000 1.050 346 A CA -0.662 51.135 52.037 -0.399 0.000 0.724 346 A CB 0.758 19.037 19.000 -1.202 0.000 1.248 346 A HN 0.609 nan 8.150 nan 0.000 0.424 347 I N 2.155 122.650 120.570 -0.124 0.000 2.436 347 I HA 0.533 4.702 4.170 -0.001 0.000 0.289 347 I C -0.656 175.336 176.117 -0.207 0.000 1.010 347 I CA -0.165 61.107 61.300 -0.047 0.000 1.098 347 I CB 1.761 39.740 38.000 -0.034 0.000 1.266 347 I HN 0.577 nan 8.210 nan 0.000 0.434 348 L N 5.913 126.993 121.223 -0.238 0.000 2.409 348 L HA 0.710 5.050 4.340 -0.001 0.000 0.272 348 L C -1.266 175.419 176.870 -0.308 0.000 0.980 348 L CA -0.985 53.551 54.840 -0.506 0.000 0.826 348 L CB 1.193 43.020 42.059 -0.388 0.000 1.268 348 L HN 0.450 nan 8.230 nan 0.000 0.407 349 Y N 0.068 120.310 120.300 -0.097 0.000 2.602 349 Y HA 0.740 5.289 4.550 -0.001 0.000 0.330 349 Y C 0.952 176.872 175.900 0.033 0.000 1.114 349 Y CA -1.489 56.594 58.100 -0.027 0.000 1.182 349 Y CB 0.754 39.175 38.460 -0.064 0.000 1.305 349 Y HN 0.548 nan 8.280 nan 0.000 0.502 350 R N 0.932 121.581 120.500 0.249 0.000 2.062 350 R HA 0.262 4.602 4.340 -0.001 0.000 0.226 350 R C 0.422 176.818 176.300 0.159 0.000 1.125 350 R CA 1.313 57.533 56.100 0.201 0.000 0.966 350 R CB -0.597 29.864 30.300 0.269 0.000 0.861 350 R HN 1.020 nan 8.270 nan 0.000 0.433 351 G N -1.443 107.439 108.800 0.137 0.000 2.788 351 G HA2 0.220 4.179 3.960 -0.001 0.000 0.293 351 G HA3 0.220 4.179 3.960 -0.001 0.000 0.293 351 G C -0.441 174.406 174.900 -0.088 0.000 1.305 351 G CA -0.584 44.463 45.100 -0.089 0.000 1.005 351 G HN 0.218 nan 8.290 nan 0.000 0.496 352 N N -0.455 118.095 118.700 -0.251 0.000 2.416 352 N HA -0.088 4.651 4.740 -0.001 0.000 0.177 352 N C 1.744 177.132 175.510 -0.204 0.000 1.036 352 N CA 0.843 53.798 53.050 -0.159 0.000 0.901 352 N CB -0.094 38.359 38.487 -0.056 0.000 0.976 352 N HN 0.725 nan 8.380 nan 0.000 0.444 353 H N 1.680 120.749 119.070 -0.002 0.000 2.353 353 H HA -0.082 4.473 4.556 -0.001 0.000 0.300 353 H C 1.248 176.582 175.328 0.010 0.000 1.090 353 H CA 0.847 56.896 56.048 0.003 0.000 1.327 353 H CB -0.401 29.369 29.762 0.013 0.000 1.383 353 H HN 0.385 nan 8.280 nan 0.000 0.508 354 Q N 1.954 121.871 119.800 0.195 0.000 2.561 354 Q HA -0.064 4.275 4.340 -0.001 0.000 0.217 354 Q C 2.152 178.119 176.000 -0.055 0.000 0.980 354 Q CA 1.274 57.199 55.803 0.204 0.000 0.927 354 Q CB -0.168 28.749 28.738 0.299 0.000 0.980 354 Q HN 0.568 nan 8.270 nan 0.000 0.525 355 S N 1.087 116.594 115.700 -0.322 0.000 2.425 355 S HA -0.037 4.433 4.470 -0.001 0.000 0.225 355 S C 1.059 175.643 174.600 -0.027 0.000 1.024 355 S CA -0.210 57.733 58.200 -0.427 0.000 0.951 355 S CB -0.084 62.878 63.200 -0.397 0.000 0.796 355 S HN 0.275 nan 8.310 nan 0.000 0.498 356 R N 1.248 121.764 120.500 0.026 0.000 2.609 356 R HA 0.446 4.785 4.340 -0.001 0.000 0.271 356 R C 0.126 176.480 176.300 0.090 0.000 1.403 356 R CA 0.433 56.567 56.100 0.057 0.000 1.138 356 R CB 0.473 30.808 30.300 0.058 0.000 1.142 356 R HN 0.328 nan 8.270 nan 0.000 0.559 357 V N 1.044 121.003 119.914 0.076 0.000 3.870 357 V HA -0.184 3.936 4.120 -0.001 0.000 0.423 357 V C -0.045 176.071 176.094 0.037 0.000 2.151 357 V CA 0.233 62.548 62.300 0.025 0.000 2.234 357 V CB -0.935 30.935 31.823 0.079 0.000 0.963 357 V HN 0.479 nan 8.190 nan 0.000 0.551 358 F N 1.614 121.558 119.950 -0.010 0.000 2.270 358 F HA 0.230 4.757 4.527 -0.001 0.000 0.295 358 F C 2.227 177.907 175.800 -0.201 0.000 1.087 358 F CA 2.070 60.050 58.000 -0.034 0.000 1.365 358 F CB -0.179 38.755 39.000 -0.109 0.000 1.056 358 F HN 0.229 nan 8.300 nan 0.000 0.506 359 E N 0.456 120.624 120.200 -0.053 0.000 2.130 359 E HA -0.273 4.077 4.350 -0.001 0.000 0.196 359 E C 2.061 178.574 176.600 -0.145 0.000 0.998 359 E CA 1.285 57.556 56.400 -0.215 0.000 0.806 359 E CB -0.128 29.571 29.700 -0.002 0.000 0.738 359 E HN 0.360 nan 8.360 nan 0.000 0.459 360 K N 0.527 120.828 120.400 -0.165 0.000 1.968 360 K HA -0.182 4.137 4.320 -0.001 0.000 0.222 360 K C 1.876 178.310 176.600 -0.277 0.000 1.043 360 K CA 1.690 57.795 56.287 -0.303 0.000 0.991 360 K CB -0.326 31.811 32.500 -0.605 0.000 0.744 360 K HN -0.053 nan 8.250 nan 0.000 0.445 361 F N 1.820 121.705 119.950 -0.109 0.000 2.141 361 F HA -0.278 4.249 4.527 -0.001 0.000 0.300 361 F C 2.168 177.906 175.800 -0.104 0.000 1.079 361 F CA 1.414 59.345 58.000 -0.115 0.000 1.264 361 F CB -0.746 38.156 39.000 -0.163 0.000 1.011 361 F HN 0.128 nan 8.300 nan 0.000 0.487 362 L N -0.242 120.993 121.223 0.020 0.000 1.994 362 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 362 L C 2.621 179.507 176.870 0.026 0.000 1.071 362 L CA 1.783 56.602 54.840 -0.036 0.000 0.745 362 L CB -0.978 40.943 42.059 -0.229 0.000 0.892 362 L HN 0.274 nan 8.230 nan 0.000 0.431 363 M N -0.792 118.844 119.600 0.060 0.000 2.175 363 M HA -0.177 4.302 4.480 -0.001 0.000 0.264 363 M C 2.262 178.573 176.300 0.018 0.000 1.063 363 M CA 1.680 57.043 55.300 0.104 0.000 1.119 363 M CB -0.815 31.879 32.600 0.157 0.000 1.377 363 M HN 0.230 nan 8.290 nan 0.000 0.415 364 Q N 1.879 121.668 119.800 -0.017 0.000 2.291 364 Q HA -0.134 4.206 4.340 -0.001 0.000 0.206 364 Q C -0.023 175.979 176.000 0.002 0.000 0.976 364 Q CA 1.563 57.351 55.803 -0.025 0.000 0.875 364 Q CB -0.359 28.345 28.738 -0.058 0.000 0.927 364 Q HN 0.772 nan 8.270 nan 0.000 0.450 365 N N -0.249 118.456 118.700 0.008 0.000 2.275 365 N HA 0.140 4.880 4.740 -0.001 0.000 0.236 365 N C -0.658 174.832 175.510 -0.032 0.000 1.154 365 N CA -0.224 52.822 53.050 -0.007 0.000 0.866 365 N CB 0.534 39.021 38.487 -0.002 0.000 1.093 365 N HN 0.013 nan 8.380 nan 0.000 0.515 366 R N 0.029 120.512 120.500 -0.029 0.000 3.758 366 R HA -0.149 4.190 4.340 -0.001 0.000 0.299 366 R C -1.015 175.221 176.300 -0.107 0.000 1.182 366 R CA 0.465 56.536 56.100 -0.049 0.000 0.809 366 R CB -2.336 27.936 30.300 -0.047 0.000 1.249 366 R HN 0.362 nan 8.270 nan 0.000 0.497 367 I N 2.311 122.816 120.570 -0.108 0.000 2.352 367 I HA 0.233 4.402 4.170 -0.001 0.000 0.290 367 I C -1.560 174.474 176.117 -0.140 0.000 1.036 367 I CA -1.860 59.288 61.300 -0.253 0.000 1.336 367 I CB 0.958 38.873 38.000 -0.142 0.000 1.407 367 I HN -0.122 nan 8.210 nan 0.000 0.497 368 P HA 0.320 nan 4.420 nan 0.000 0.281 368 P C -1.545 175.748 177.300 -0.012 0.000 1.249 368 P CA -0.078 62.935 63.100 -0.146 0.000 0.810 368 P CB 1.250 32.862 31.700 -0.146 0.000 1.008 369 Y N -1.273 119.004 120.300 -0.037 0.000 2.750 369 Y HA 0.680 5.229 4.550 -0.001 0.000 0.335 369 Y C -1.496 174.429 175.900 0.041 0.000 1.252 369 Y CA -1.461 56.652 58.100 0.021 0.000 1.064 369 Y CB 0.905 39.378 38.460 0.023 0.000 1.321 369 Y HN 0.366 nan 8.280 nan 0.000 0.451 370 K N 1.789 122.268 120.400 0.131 0.000 2.316 370 K HA 0.667 4.987 4.320 -0.001 0.000 0.251 370 K C -1.644 175.101 176.600 0.241 0.000 0.934 370 K CA -0.870 55.464 56.287 0.079 0.000 0.802 370 K CB 2.931 35.484 32.500 0.088 0.000 1.171 370 K HN 0.912 nan 8.250 nan 0.000 0.426 371 I N 3.706 124.388 120.570 0.187 0.000 2.313 371 I HA 0.046 4.215 4.170 -0.001 0.000 0.286 371 I C 0.671 176.895 176.117 0.177 0.000 1.091 371 I CA 0.246 61.686 61.300 0.233 0.000 1.216 371 I CB 0.326 38.462 38.000 0.228 0.000 1.434 371 I HN 1.071 nan 8.210 nan 0.000 0.487 372 S N 5.035 120.844 115.700 0.182 0.000 3.420 372 S HA -0.285 4.184 4.470 -0.001 0.000 0.537 372 S C 0.822 175.494 174.600 0.121 0.000 0.928 372 S CA 2.028 60.312 58.200 0.140 0.000 3.390 372 S CB -1.065 62.238 63.200 0.172 0.000 2.342 372 S HN 0.929 nan 8.310 nan 0.000 0.516 373 G N -0.048 108.826 108.800 0.124 0.000 2.644 373 G HA2 0.589 4.549 3.960 -0.001 0.000 0.300 373 G HA3 0.589 4.549 3.960 -0.001 0.000 0.300 373 G C -0.445 174.514 174.900 0.099 0.000 1.395 373 G CA 0.278 45.443 45.100 0.108 0.000 0.964 373 G HN 1.025 nan 8.290 nan 0.000 0.511 374 G N 1.924 110.780 108.800 0.093 0.000 3.164 374 G HA2 0.585 4.544 3.960 -0.001 0.000 0.312 374 G HA3 0.585 4.544 3.960 -0.001 0.000 0.312 374 G C 0.299 175.249 174.900 0.083 0.000 1.530 374 G CA 0.140 45.290 45.100 0.083 0.000 1.079 374 G HN 1.716 nan 8.290 nan 0.000 0.527 375 T N -0.776 113.827 114.554 0.082 0.000 1.466 375 T HA -0.213 4.137 4.350 -0.001 0.000 0.655 375 T C 0.584 175.348 174.700 0.108 0.000 0.958 375 T CA 0.540 62.690 62.100 0.083 0.000 3.476 375 T CB -1.490 67.414 68.868 0.060 0.000 1.980 375 T HN 1.733 nan 8.240 nan 0.000 0.368 376 S N 2.763 118.544 115.700 0.136 0.000 2.553 376 S HA 0.117 4.587 4.470 -0.001 0.000 0.293 376 S C 1.048 175.766 174.600 0.197 0.000 1.296 376 S CA 0.233 58.550 58.200 0.193 0.000 1.046 376 S CB -0.154 63.192 63.200 0.244 0.000 0.810 376 S HN 0.945 nan 8.310 nan 0.000 0.505 377 F N 5.143 125.102 119.950 0.014 0.000 2.115 377 F HA -0.141 4.386 4.527 -0.001 0.000 0.300 377 F C 1.132 176.831 175.800 -0.167 0.000 1.092 377 F CA 1.656 59.590 58.000 -0.109 0.000 1.245 377 F CB -0.470 38.417 39.000 -0.188 0.000 0.995 377 F HN 0.696 nan 8.300 nan 0.000 0.481 378 F N 0.368 120.433 119.950 0.191 0.000 2.753 378 F HA -0.027 4.499 4.527 -0.001 0.000 0.299 378 F C 1.907 177.692 175.800 -0.025 0.000 1.265 378 F CA 0.856 58.877 58.000 0.036 0.000 1.453 378 F CB -0.759 38.332 39.000 0.153 0.000 1.118 378 F HN -0.032 nan 8.300 nan 0.000 0.579 379 S N -1.796 113.927 115.700 0.038 0.000 2.687 379 S HA 0.181 4.651 4.470 -0.001 0.000 0.247 379 S C 0.743 175.318 174.600 -0.042 0.000 1.050 379 S CA -0.468 57.748 58.200 0.026 0.000 1.063 379 S CB 0.391 63.630 63.200 0.065 0.000 1.039 379 S HN 0.096 nan 8.310 nan 0.000 0.580 380 R N 2.257 122.677 120.500 -0.133 0.000 2.484 380 R HA 0.080 4.419 4.340 -0.001 0.000 0.293 380 R C -1.991 174.250 176.300 -0.098 0.000 1.023 380 R CA -1.227 54.797 56.100 -0.127 0.000 1.037 380 R CB 0.161 30.338 30.300 -0.205 0.000 0.951 380 R HN 0.083 nan 8.270 nan 0.000 0.418 381 P HA -0.309 nan 4.420 nan 0.000 0.216 381 P C 1.097 178.435 177.300 0.064 0.000 1.167 381 P CA 1.484 64.600 63.100 0.026 0.000 0.914 381 P CB 0.058 31.784 31.700 0.043 0.000 0.793 382 E N -0.417 119.834 120.200 0.085 0.000 2.208 382 E HA -0.224 4.125 4.350 -0.001 0.000 0.202 382 E C 1.766 178.358 176.600 -0.013 0.000 1.014 382 E CA 1.570 58.084 56.400 0.190 0.000 0.819 382 E CB -1.182 28.620 29.700 0.169 0.000 0.735 382 E HN 0.204 nan 8.360 nan 0.000 0.469 383 I N 1.571 122.051 120.570 -0.150 0.000 2.188 383 I HA -0.119 4.051 4.170 -0.001 0.000 0.237 383 I C 2.538 178.596 176.117 -0.098 0.000 1.073 383 I CA 0.885 62.033 61.300 -0.254 0.000 1.359 383 I CB -1.147 36.521 38.000 -0.552 0.000 1.083 383 I HN 0.080 nan 8.210 nan 0.000 0.412 384 K N 0.693 121.064 120.400 -0.048 0.000 2.189 384 K HA -0.250 4.069 4.320 -0.001 0.000 0.207 384 K C 1.630 178.260 176.600 0.051 0.000 1.046 384 K CA 1.772 58.075 56.287 0.026 0.000 0.928 384 K CB -0.166 32.349 32.500 0.025 0.000 0.720 384 K HN 0.355 nan 8.250 nan 0.000 0.458 385 D N 0.837 121.279 120.400 0.070 0.000 2.081 385 D HA -0.151 4.489 4.640 -0.001 0.000 0.194 385 D C 1.855 178.233 176.300 0.130 0.000 0.986 385 D CA 0.701 54.779 54.000 0.131 0.000 0.837 385 D CB -0.389 40.574 40.800 0.271 0.000 0.985 385 D HN -0.028 nan 8.370 nan 0.000 0.448 386 L N 1.093 122.297 121.223 -0.032 0.000 2.151 386 L HA -0.185 4.154 4.340 -0.001 0.000 0.215 386 L C 2.389 179.329 176.870 0.116 0.000 1.084 386 L CA 1.115 55.931 54.840 -0.040 0.000 0.764 386 L CB -0.913 41.021 42.059 -0.208 0.000 0.891 386 L HN 0.193 nan 8.230 nan 0.000 0.435 387 L N -0.946 120.340 121.223 0.105 0.000 1.976 387 L HA -0.223 4.117 4.340 -0.001 0.000 0.209 387 L C 2.670 179.631 176.870 0.153 0.000 1.071 387 L CA 1.616 56.554 54.840 0.165 0.000 0.746 387 L CB -0.485 41.674 42.059 0.166 0.000 0.890 387 L HN 0.286 nan 8.230 nan 0.000 0.432 388 A N -0.293 122.587 122.820 0.101 0.000 1.894 388 A HA -0.355 3.964 4.320 -0.001 0.000 0.220 388 A C 1.947 179.529 177.584 -0.003 0.000 1.237 388 A CA 2.479 54.532 52.037 0.027 0.000 0.660 388 A CB -1.446 17.526 19.000 -0.046 0.000 0.835 388 A HN 0.522 nan 8.150 nan 0.000 0.461 389 Y N -0.078 120.248 120.300 0.044 0.000 2.014 389 Y HA -0.282 4.268 4.550 -0.001 0.000 0.272 389 Y C 2.424 178.328 175.900 0.007 0.000 1.164 389 Y CA 2.101 60.223 58.100 0.035 0.000 1.114 389 Y CB -0.706 37.768 38.460 0.023 0.000 0.961 389 Y HN 0.255 nan 8.280 nan 0.000 0.489 390 L N -0.671 120.679 121.223 0.212 0.000 2.021 390 L HA -0.330 4.010 4.340 -0.001 0.000 0.215 390 L C 2.583 179.501 176.870 0.079 0.000 1.074 390 L CA 1.774 56.698 54.840 0.139 0.000 0.760 390 L CB -0.706 41.469 42.059 0.193 0.000 0.889 390 L HN 0.177 nan 8.230 nan 0.000 0.433 391 R N -0.098 120.450 120.500 0.079 0.000 2.103 391 R HA -0.192 4.147 4.340 -0.001 0.000 0.234 391 R C 2.348 178.639 176.300 -0.015 0.000 1.132 391 R CA 2.045 58.169 56.100 0.040 0.000 0.925 391 R CB -0.614 29.718 30.300 0.052 0.000 0.842 391 R HN 0.088 nan 8.270 nan 0.000 0.430 392 V N 1.150 121.038 119.914 -0.043 0.000 2.282 392 V HA -0.307 3.812 4.120 -0.001 0.000 0.249 392 V C 2.347 178.331 176.094 -0.185 0.000 1.057 392 V CA 2.041 64.260 62.300 -0.135 0.000 1.032 392 V CB -0.393 31.332 31.823 -0.163 0.000 0.645 392 V HN 0.368 nan 8.190 nan 0.000 0.447 393 L N 0.153 121.304 121.223 -0.120 0.000 1.971 393 L HA -0.229 4.110 4.340 -0.001 0.000 0.215 393 L C 2.660 179.484 176.870 -0.077 0.000 1.072 393 L CA 2.573 57.349 54.840 -0.108 0.000 0.758 393 L CB -1.271 40.759 42.059 -0.048 0.000 0.889 393 L HN 0.600 nan 8.230 nan 0.000 0.433 394 T N -3.683 110.844 114.554 -0.045 0.000 3.085 394 T HA -0.059 4.290 4.350 -0.001 0.000 0.263 394 T C 0.746 175.415 174.700 -0.052 0.000 1.127 394 T CA 0.405 62.481 62.100 -0.040 0.000 1.103 394 T CB -0.183 68.668 68.868 -0.028 0.000 0.921 394 T HN 0.194 nan 8.240 nan 0.000 0.510 395 N N 0.982 119.644 118.700 -0.064 0.000 2.621 395 N HA 0.345 5.084 4.740 -0.001 0.000 0.271 395 N C -2.999 172.470 175.510 -0.068 0.000 1.181 395 N CA -2.086 50.926 53.050 -0.063 0.000 0.805 395 N CB 2.036 40.476 38.487 -0.077 0.000 1.351 395 N HN -0.148 nan 8.380 nan 0.000 0.539 396 P HA 0.097 nan 4.420 nan 0.000 0.237 396 P C -0.174 177.145 177.300 0.032 0.000 1.178 396 P CA 0.693 63.785 63.100 -0.014 0.000 0.766 396 P CB 0.377 32.191 31.700 0.192 0.000 0.876 397 D N -1.231 119.175 120.400 0.009 0.000 2.336 397 D HA -0.014 4.625 4.640 -0.001 0.000 0.228 397 D C 0.110 176.420 176.300 0.017 0.000 1.120 397 D CA 0.567 54.577 54.000 0.016 0.000 0.839 397 D CB -0.437 40.366 40.800 0.005 0.000 0.932 397 D HN 0.047 nan 8.370 nan 0.000 0.509 398 D N 0.736 121.144 120.400 0.014 0.000 2.638 398 D HA 0.024 4.663 4.640 -0.001 0.000 0.245 398 D C 0.783 177.142 176.300 0.098 0.000 1.176 398 D CA -0.321 53.704 54.000 0.042 0.000 0.996 398 D CB 0.330 41.147 40.800 0.028 0.000 1.012 398 D HN -0.125 nan 8.370 nan 0.000 0.515 399 D N 0.478 120.948 120.400 0.116 0.000 2.154 399 D HA -0.217 4.423 4.640 -0.001 0.000 0.190 399 D C 1.708 178.137 176.300 0.215 0.000 1.003 399 D CA 1.236 55.351 54.000 0.192 0.000 0.849 399 D CB 0.016 40.912 40.800 0.160 0.000 0.942 399 D HN 0.327 nan 8.370 nan 0.000 0.446 400 S N 1.107 116.914 115.700 0.178 0.000 2.378 400 S HA -0.260 4.210 4.470 -0.001 0.000 0.229 400 S C 2.199 176.898 174.600 0.165 0.000 1.052 400 S CA 1.757 60.081 58.200 0.207 0.000 1.084 400 S CB -0.470 62.914 63.200 0.305 0.000 0.950 400 S HN 0.468 nan 8.310 nan 0.000 0.440 401 A N 0.776 123.682 122.820 0.144 0.000 1.898 401 A HA -0.004 4.315 4.320 -0.001 0.000 0.216 401 A C 1.922 179.559 177.584 0.089 0.000 1.181 401 A CA 1.368 53.456 52.037 0.087 0.000 0.620 401 A CB -0.789 18.246 19.000 0.058 0.000 0.819 401 A HN 0.449 nan 8.150 nan 0.000 0.442 402 F N 0.185 120.129 119.950 -0.009 0.000 2.075 402 F HA -0.115 4.412 4.527 -0.001 0.000 0.297 402 F C 1.811 177.631 175.800 0.034 0.000 1.113 402 F CA 1.409 59.418 58.000 0.015 0.000 1.218 402 F CB -0.548 38.504 39.000 0.086 0.000 0.984 402 F HN 0.143 nan 8.300 nan 0.000 0.472 403 L N 0.783 122.103 121.223 0.162 0.000 2.137 403 L HA -0.229 4.111 4.340 -0.001 0.000 0.213 403 L C 2.568 179.402 176.870 -0.060 0.000 1.085 403 L CA 2.075 56.934 54.840 0.033 0.000 0.760 403 L CB -0.922 41.210 42.059 0.122 0.000 0.893 403 L HN 0.233 nan 8.230 nan 0.000 0.434 404 R N -1.638 118.836 120.500 -0.045 0.000 2.210 404 R HA -0.016 4.323 4.340 -0.001 0.000 0.203 404 R C 1.746 177.964 176.300 -0.137 0.000 1.010 404 R CA 0.665 56.726 56.100 -0.064 0.000 1.008 404 R CB 0.137 30.424 30.300 -0.022 0.000 0.923 404 R HN 0.182 nan 8.270 nan 0.000 0.469 405 I N 0.513 120.941 120.570 -0.236 0.000 2.927 405 I HA -0.082 4.088 4.170 -0.001 0.000 0.268 405 I C 2.205 178.067 176.117 -0.424 0.000 1.153 405 I CA 0.568 61.660 61.300 -0.346 0.000 1.459 405 I CB -0.300 37.337 38.000 -0.606 0.000 1.149 405 I HN 0.055 nan 8.210 nan 0.000 0.443 406 V N 0.681 120.258 119.914 -0.563 0.000 2.251 406 V HA -0.400 3.719 4.120 -0.001 0.000 0.259 406 V C 1.955 177.609 176.094 -0.733 0.000 1.078 406 V CA 2.959 64.788 62.300 -0.784 0.000 1.072 406 V CB -1.571 29.835 31.823 -0.695 0.000 0.681 406 V HN 0.437 nan 8.190 nan 0.000 0.454 407 N N -0.433 117.994 118.700 -0.456 0.000 2.463 407 N HA -0.017 4.722 4.740 -0.001 0.000 0.183 407 N C 1.722 177.019 175.510 -0.355 0.000 1.064 407 N CA 0.783 53.609 53.050 -0.373 0.000 0.879 407 N CB 0.162 38.507 38.487 -0.237 0.000 1.148 407 N HN 0.743 nan 8.380 nan 0.000 0.451 408 T N 0.554 114.936 114.554 -0.286 0.000 2.493 408 T HA -0.188 4.161 4.350 -0.001 0.000 0.256 408 T C -1.025 173.299 174.700 -0.627 0.000 1.195 408 T CA 1.390 63.331 62.100 -0.265 0.000 1.183 408 T CB -2.026 66.780 68.868 -0.104 0.000 0.863 408 T HN 0.148 nan 8.240 nan 0.000 0.418 409 P HA 0.120 nan 4.420 nan 0.000 0.240 409 P C -0.049 176.617 177.300 -1.056 0.000 1.186 409 P CA 0.747 63.280 63.100 -0.945 0.000 0.755 409 P CB -0.386 31.155 31.700 -0.265 0.000 0.870 410 K N -1.150 118.750 120.400 -0.832 0.000 4.766 410 K HA -0.172 4.148 4.320 -0.001 0.000 0.384 410 K C 0.140 176.554 176.600 -0.309 0.000 1.097 410 K CA 0.263 56.240 56.287 -0.518 0.000 1.147 410 K CB -1.142 31.103 32.500 -0.425 0.000 1.603 410 K HN 0.069 nan 8.250 nan 0.000 0.421 411 R N 1.169 121.485 120.500 -0.306 0.000 2.740 411 R HA 0.455 4.794 4.340 -0.001 0.000 0.223 411 R C -0.405 175.795 176.300 -0.168 0.000 1.362 411 R CA -0.074 55.887 56.100 -0.232 0.000 1.069 411 R CB 0.670 30.797 30.300 -0.288 0.000 1.739 411 R HN 0.361 nan 8.270 nan 0.000 0.533 412 E N 0.636 120.765 120.200 -0.119 0.000 3.012 412 E HA 0.252 4.601 4.350 -0.001 0.000 0.228 412 E C -0.645 175.914 176.600 -0.068 0.000 1.184 412 E CA 0.050 56.404 56.400 -0.078 0.000 1.407 412 E CB 0.226 29.898 29.700 -0.047 0.000 1.438 412 E HN 0.353 nan 8.360 nan 0.000 0.435 413 I N 1.942 122.452 120.570 -0.099 0.000 2.317 413 I HA 0.162 4.332 4.170 -0.001 0.000 0.286 413 I C 0.929 177.011 176.117 -0.059 0.000 1.119 413 I CA -0.528 60.726 61.300 -0.077 0.000 1.228 413 I CB 0.648 38.576 38.000 -0.120 0.000 1.476 413 I HN 0.220 nan 8.210 nan 0.000 0.514 414 G N 5.991 114.775 108.800 -0.028 0.000 2.484 414 G HA2 0.070 4.030 3.960 -0.001 0.000 0.235 414 G HA3 0.070 4.030 3.960 -0.001 0.000 0.235 414 G C -1.057 173.842 174.900 -0.001 0.000 1.282 414 G CA -0.757 44.335 45.100 -0.013 0.000 0.857 414 G HN 0.403 nan 8.290 nan 0.000 0.571 415 P HA -0.207 nan 4.420 nan 0.000 0.220 415 P C 1.591 178.909 177.300 0.030 0.000 1.144 415 P CA 1.710 64.819 63.100 0.015 0.000 0.800 415 P CB 0.276 31.985 31.700 0.015 0.000 0.772 416 A N 0.594 123.431 122.820 0.029 0.000 1.835 416 A HA -0.113 4.206 4.320 -0.001 0.000 0.213 416 A C 2.505 180.119 177.584 0.051 0.000 1.210 416 A CA 2.499 54.559 52.037 0.039 0.000 0.605 416 A CB -1.946 17.074 19.000 0.033 0.000 0.860 416 A HN 0.305 nan 8.150 nan 0.000 0.447 417 T N -0.540 114.042 114.554 0.046 0.000 2.751 417 T HA -0.197 4.152 4.350 -0.001 0.000 0.268 417 T C 1.705 176.450 174.700 0.074 0.000 1.045 417 T CA 2.059 64.195 62.100 0.059 0.000 1.142 417 T CB -0.575 68.322 68.868 0.047 0.000 0.851 417 T HN 0.294 nan 8.240 nan 0.000 0.474 418 L N 0.090 121.350 121.223 0.062 0.000 2.162 418 L HA 0.148 4.488 4.340 -0.001 0.000 0.205 418 L C 2.754 179.684 176.870 0.100 0.000 1.086 418 L CA 1.207 56.098 54.840 0.085 0.000 0.778 418 L CB -0.468 41.622 42.059 0.050 0.000 0.928 418 L HN 0.281 nan 8.230 nan 0.000 0.446 419 K N 1.229 121.677 120.400 0.079 0.000 2.020 419 K HA -0.210 4.110 4.320 -0.001 0.000 0.212 419 K C 1.941 178.601 176.600 0.100 0.000 1.050 419 K CA 1.766 58.101 56.287 0.079 0.000 0.929 419 K CB -0.182 32.355 32.500 0.062 0.000 0.714 419 K HN 0.067 nan 8.250 nan 0.000 0.443 420 K N 0.430 120.893 120.400 0.105 0.000 2.147 420 K HA -0.086 4.233 4.320 -0.001 0.000 0.205 420 K C 2.168 178.877 176.600 0.181 0.000 1.049 420 K CA 1.265 57.631 56.287 0.131 0.000 0.936 420 K CB -0.266 32.302 32.500 0.113 0.000 0.722 420 K HN 0.264 nan 8.250 nan 0.000 0.446 421 L N 0.563 121.889 121.223 0.173 0.000 2.005 421 L HA -0.124 4.216 4.340 -0.001 0.000 0.207 421 L C 2.301 179.313 176.870 0.237 0.000 1.072 421 L CA 1.584 56.550 54.840 0.211 0.000 0.744 421 L CB -0.884 41.304 42.059 0.215 0.000 0.895 421 L HN 0.250 nan 8.230 nan 0.000 0.433 422 G N -0.484 108.431 108.800 0.191 0.000 2.586 422 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.218 422 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.218 422 G C 1.250 176.233 174.900 0.138 0.000 1.216 422 G CA 1.117 46.310 45.100 0.157 0.000 0.786 422 G HN 0.436 nan 8.290 nan 0.000 0.583 423 E N -0.769 119.512 120.200 0.134 0.000 2.065 423 E HA -0.179 4.171 4.350 -0.001 0.000 0.201 423 E C 1.992 178.667 176.600 0.126 0.000 1.016 423 E CA 1.472 57.938 56.400 0.110 0.000 0.818 423 E CB -0.296 29.474 29.700 0.117 0.000 0.749 423 E HN 0.616 nan 8.360 nan 0.000 0.453 424 W N 1.039 122.366 121.300 0.045 0.000 2.333 424 W HA -0.220 4.440 4.660 -0.001 0.000 0.316 424 W C 2.168 178.710 176.519 0.038 0.000 1.215 424 W CA 1.833 59.204 57.345 0.042 0.000 1.278 424 W CB -0.545 28.947 29.460 0.054 0.000 1.154 424 W HN 0.147 nan 8.180 nan 0.000 0.486 425 A N 0.879 123.842 122.820 0.239 0.000 1.986 425 A HA -0.283 4.037 4.320 -0.001 0.000 0.220 425 A C 1.866 179.436 177.584 -0.022 0.000 1.171 425 A CA 2.363 54.472 52.037 0.119 0.000 0.640 425 A CB -0.902 18.200 19.000 0.171 0.000 0.811 425 A HN 0.434 nan 8.150 nan 0.000 0.451 426 M N 0.904 120.493 119.600 -0.019 0.000 2.074 426 M HA -0.118 4.362 4.480 -0.001 0.000 0.259 426 M C 2.358 178.589 176.300 -0.116 0.000 1.079 426 M CA 3.028 58.300 55.300 -0.047 0.000 1.119 426 M CB -1.699 30.888 32.600 -0.021 0.000 1.297 426 M HN 0.580 nan 8.290 nan 0.000 0.416 427 T N -1.127 113.327 114.554 -0.166 0.000 2.653 427 T HA -0.234 4.115 4.350 -0.001 0.000 0.268 427 T C 1.839 176.374 174.700 -0.274 0.000 1.035 427 T CA 1.978 63.947 62.100 -0.219 0.000 1.154 427 T CB -0.630 68.068 68.868 -0.283 0.000 0.862 427 T HN 0.386 nan 8.240 nan 0.000 0.441 428 R N 1.835 122.088 120.500 -0.411 0.000 2.328 428 R HA 0.261 4.600 4.340 -0.001 0.000 0.200 428 R C 0.294 176.487 176.300 -0.178 0.000 0.983 428 R CA -0.140 55.749 56.100 -0.352 0.000 1.062 428 R CB -1.003 29.003 30.300 -0.489 0.000 0.956 428 R HN 0.541 nan 8.270 nan 0.000 0.479 429 N N 1.824 120.440 118.700 -0.139 0.000 2.584 429 N HA -0.236 4.503 4.740 -0.001 0.000 0.291 429 N C -0.986 174.497 175.510 -0.044 0.000 1.203 429 N CA 1.716 54.721 53.050 -0.076 0.000 0.735 429 N CB -0.464 37.983 38.487 -0.067 0.000 0.936 429 N HN 0.488 nan 8.380 nan 0.000 0.549 430 K N -2.825 117.562 120.400 -0.021 0.000 2.842 430 K HA 0.328 4.648 4.320 -0.001 0.000 0.293 430 K C -0.435 176.185 176.600 0.034 0.000 1.068 430 K CA -0.887 55.405 56.287 0.008 0.000 0.827 430 K CB 0.315 32.824 32.500 0.016 0.000 1.524 430 K HN 0.022 nan 8.250 nan 0.000 0.368 431 S N 0.071 115.795 115.700 0.040 0.000 2.559 431 S HA 0.011 4.481 4.470 -0.001 0.000 0.282 431 S C 1.251 175.876 174.600 0.042 0.000 1.336 431 S CA -0.341 57.885 58.200 0.043 0.000 1.037 431 S CB 0.174 63.404 63.200 0.051 0.000 0.853 431 S HN 0.602 nan 8.310 nan 0.000 0.523 432 M N 2.838 122.448 119.600 0.016 0.000 2.064 432 M HA -0.002 4.477 4.480 -0.001 0.000 0.260 432 M C 1.863 178.034 176.300 -0.215 0.000 1.073 432 M CA 1.454 56.768 55.300 0.023 0.000 1.124 432 M CB -1.432 31.297 32.600 0.216 0.000 1.326 432 M HN 0.857 nan 8.290 nan 0.000 0.410 433 F N 2.252 121.684 119.950 -0.863 0.000 2.045 433 F HA -0.282 4.244 4.527 -0.001 0.000 0.297 433 F C 2.400 178.123 175.800 -0.127 0.000 1.114 433 F CA 2.419 59.935 58.000 -0.807 0.000 1.207 433 F CB -0.987 37.627 39.000 -0.644 0.000 0.964 433 F HN 0.168 nan 8.300 nan 0.000 0.486 434 T N 0.765 115.278 114.554 -0.068 0.000 2.746 434 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 434 T C 2.226 176.994 174.700 0.114 0.000 1.039 434 T CA 1.497 63.565 62.100 -0.054 0.000 1.142 434 T CB -1.067 67.792 68.868 -0.015 0.000 0.866 434 T HN 0.391 nan 8.240 nan 0.000 0.444 435 A N 1.853 124.743 122.820 0.116 0.000 1.948 435 A HA -0.137 4.183 4.320 -0.001 0.000 0.220 435 A C 2.513 180.185 177.584 0.148 0.000 1.177 435 A CA 2.118 54.296 52.037 0.235 0.000 0.636 435 A CB -1.161 18.017 19.000 0.298 0.000 0.815 435 A HN 0.549 nan 8.150 nan 0.000 0.449 436 S N -1.467 114.234 115.700 0.001 0.000 2.484 436 S HA -0.168 4.302 4.470 -0.001 0.000 0.250 436 S C 1.170 175.496 174.600 -0.457 0.000 0.995 436 S CA 1.752 59.797 58.200 -0.259 0.000 0.967 436 S CB -0.650 62.301 63.200 -0.415 0.000 0.752 436 S HN 0.486 nan 8.310 nan 0.000 0.517 437 F N 0.380 120.235 119.950 -0.158 0.000 2.727 437 F HA 0.428 4.955 4.527 -0.001 0.000 0.302 437 F C 0.520 176.279 175.800 -0.068 0.000 1.107 437 F CA -0.964 56.958 58.000 -0.130 0.000 1.277 437 F CB -0.202 38.707 39.000 -0.150 0.000 1.079 437 F HN 0.034 nan 8.300 nan 0.000 0.594 438 D N 1.767 122.267 120.400 0.167 0.000 2.533 438 D HA -0.097 4.543 4.640 -0.001 0.000 0.236 438 D C 1.583 177.863 176.300 -0.033 0.000 1.137 438 D CA 0.312 54.397 54.000 0.142 0.000 0.867 438 D CB 0.537 41.578 40.800 0.403 0.000 1.170 438 D HN 0.012 nan 8.370 nan 0.000 0.474 439 M N 2.640 122.246 119.600 0.011 0.000 2.460 439 M HA -0.054 4.425 4.480 -0.001 0.000 0.263 439 M C 1.528 177.728 176.300 -0.167 0.000 1.071 439 M CA 1.294 56.569 55.300 -0.041 0.000 1.096 439 M CB -0.344 32.258 32.600 0.003 0.000 1.408 439 M HN 0.437 nan 8.290 nan 0.000 0.463 440 G N 0.809 109.471 108.800 -0.230 0.000 2.448 440 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.218 440 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.218 440 G C 1.297 175.449 174.900 -1.246 0.000 1.135 440 G CA 0.647 45.461 45.100 -0.476 0.000 0.784 440 G HN 0.515 nan 8.290 nan 0.000 0.543 441 L N 2.135 122.440 121.223 -1.531 0.000 2.131 441 L HA -0.060 4.280 4.340 -0.001 0.000 0.210 441 L C 2.884 179.462 176.870 -0.486 0.000 1.092 441 L CA 2.360 56.426 54.840 -1.291 0.000 0.759 441 L CB -0.723 40.797 42.059 -0.898 0.000 0.903 441 L HN 0.276 nan 8.230 nan 0.000 0.435 442 S N -1.283 114.207 115.700 -0.349 0.000 2.423 442 S HA -0.269 4.200 4.470 -0.001 0.000 0.238 442 S C 1.771 176.148 174.600 -0.372 0.000 1.028 442 S CA 1.554 59.495 58.200 -0.431 0.000 1.000 442 S CB -0.621 62.342 63.200 -0.396 0.000 0.797 442 S HN 0.727 nan 8.310 nan 0.000 0.487 443 Q N 0.799 120.441 119.800 -0.265 0.000 2.226 443 Q HA 0.014 4.354 4.340 -0.001 0.000 0.199 443 Q C 2.677 178.623 176.000 -0.089 0.000 0.945 443 Q CA 1.598 57.306 55.803 -0.157 0.000 0.861 443 Q CB -0.892 27.787 28.738 -0.099 0.000 0.953 443 Q HN 0.899 nan 8.270 nan 0.000 0.490 444 T N 0.060 114.574 114.554 -0.068 0.000 2.746 444 T HA -0.040 4.310 4.350 -0.001 0.000 0.267 444 T C 1.238 175.946 174.700 0.013 0.000 1.039 444 T CA 0.813 62.933 62.100 0.033 0.000 1.142 444 T CB -0.302 68.653 68.868 0.145 0.000 0.866 444 T HN 0.244 nan 8.240 nan 0.000 0.444 445 L N -0.162 121.052 121.223 -0.015 0.000 2.371 445 L HA 0.795 5.135 4.340 -0.001 0.000 0.262 445 L C -0.715 176.132 176.870 -0.039 0.000 1.006 445 L CA -0.524 54.329 54.840 0.021 0.000 0.818 445 L CB 2.466 44.583 42.059 0.097 0.000 1.354 445 L HN 0.368 nan 8.230 nan 0.000 0.415 446 S N 1.486 117.171 115.700 -0.025 0.000 2.680 446 S HA 0.942 5.412 4.470 -0.001 0.000 0.276 446 S C -0.011 174.589 174.600 0.000 0.000 1.189 446 S CA 0.120 58.261 58.200 -0.098 0.000 0.909 446 S CB 0.457 63.509 63.200 -0.247 0.000 1.227 446 S HN 2.507 nan 8.310 nan 0.000 0.501 447 G N 1.271 110.061 108.800 -0.018 0.000 2.475 447 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.223 447 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.223 447 G C 0.230 175.157 174.900 0.046 0.000 1.201 447 G CA 0.166 45.271 45.100 0.009 0.000 0.962 447 G HN 0.821 nan 8.290 nan 0.000 0.586 448 R N 0.702 121.227 120.500 0.042 0.000 2.161 448 R HA 0.109 4.448 4.340 -0.001 0.000 0.213 448 R C 2.892 179.225 176.300 0.056 0.000 1.055 448 R CA 1.424 57.550 56.100 0.044 0.000 0.996 448 R CB -0.548 29.765 30.300 0.023 0.000 0.901 448 R HN 0.642 nan 8.270 nan 0.000 0.456 449 G N 0.178 109.015 108.800 0.062 0.000 2.433 449 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.216 449 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.216 449 G C 1.224 176.170 174.900 0.075 0.000 1.186 449 G CA 0.553 45.687 45.100 0.056 0.000 0.779 449 G HN 0.332 nan 8.290 nan 0.000 0.543 450 Y N 1.247 121.538 120.300 -0.015 0.000 2.256 450 Y HA -0.139 4.411 4.550 -0.001 0.000 0.288 450 Y C 2.722 178.607 175.900 -0.026 0.000 1.155 450 Y CA 2.084 60.166 58.100 -0.030 0.000 1.203 450 Y CB 0.093 38.521 38.460 -0.054 0.000 0.980 450 Y HN 0.263 nan 8.280 nan 0.000 0.530 451 E N 0.228 120.523 120.200 0.158 0.000 2.106 451 E HA -0.165 4.185 4.350 -0.001 0.000 0.192 451 E C 2.217 178.828 176.600 0.019 0.000 0.984 451 E CA 1.094 57.550 56.400 0.093 0.000 0.806 451 E CB -0.180 29.568 29.700 0.081 0.000 0.750 451 E HN 0.551 nan 8.360 nan 0.000 0.458 452 A N 1.154 123.984 122.820 0.015 0.000 1.872 452 A HA -0.102 4.217 4.320 -0.001 0.000 0.214 452 A C 2.212 179.818 177.584 0.036 0.000 1.187 452 A CA 1.046 53.090 52.037 0.011 0.000 0.614 452 A CB -0.670 18.325 19.000 -0.008 0.000 0.826 452 A HN 0.305 nan 8.150 nan 0.000 0.442 453 L N 0.675 121.896 121.223 -0.003 0.000 1.956 453 L HA -0.205 4.135 4.340 -0.001 0.000 0.216 453 L C 2.862 179.714 176.870 -0.030 0.000 1.073 453 L CA 3.337 58.190 54.840 0.021 0.000 0.762 453 L CB -1.271 40.727 42.059 -0.101 0.000 0.889 453 L HN 0.602 nan 8.230 nan 0.000 0.433 454 T N -2.774 111.610 114.554 -0.282 0.000 2.607 454 T HA -0.290 4.060 4.350 -0.001 0.000 0.267 454 T C 2.145 176.799 174.700 -0.076 0.000 1.049 454 T CA 1.276 63.175 62.100 -0.336 0.000 1.162 454 T CB -0.654 67.928 68.868 -0.476 0.000 0.863 454 T HN 0.267 nan 8.240 nan 0.000 0.424 455 R N 0.377 120.885 120.500 0.014 0.000 2.159 455 R HA -0.141 4.198 4.340 -0.001 0.000 0.249 455 R C 2.139 178.597 176.300 0.264 0.000 1.136 455 R CA 2.109 58.283 56.100 0.125 0.000 0.951 455 R CB -1.315 29.039 30.300 0.091 0.000 0.876 455 R HN 0.581 nan 8.270 nan 0.000 0.440 456 F N 1.458 121.470 119.950 0.104 0.000 1.997 456 F HA -0.257 4.270 4.527 -0.001 0.000 0.296 456 F C 2.482 178.517 175.800 0.391 0.000 1.160 456 F CA 2.695 60.824 58.000 0.215 0.000 1.176 456 F CB -1.382 37.703 39.000 0.141 0.000 0.964 456 F HN 0.222 nan 8.300 nan 0.000 0.484 457 T N -1.879 112.554 114.554 -0.202 0.000 2.792 457 T HA -0.359 3.990 4.350 -0.001 0.000 0.268 457 T C 1.833 176.603 174.700 0.116 0.000 1.059 457 T CA 2.058 64.048 62.100 -0.182 0.000 1.136 457 T CB -1.180 67.558 68.868 -0.217 0.000 0.846 457 T HN 0.649 nan 8.240 nan 0.000 0.489 458 H N 0.037 119.131 119.070 0.039 0.000 2.284 458 H HA -0.010 4.545 4.556 -0.001 0.000 0.304 458 H C 1.948 177.417 175.328 0.236 0.000 1.069 458 H CA 1.800 57.950 56.048 0.170 0.000 1.327 458 H CB -0.950 28.891 29.762 0.132 0.000 1.387 458 H HN 0.511 nan 8.280 nan 0.000 0.498 459 W N 0.779 122.110 121.300 0.051 0.000 2.290 459 W HA -0.304 4.356 4.660 -0.001 0.000 0.323 459 W C 2.142 178.650 176.519 -0.018 0.000 1.260 459 W CA 2.092 59.436 57.345 -0.002 0.000 1.266 459 W CB -0.953 28.577 29.460 0.116 0.000 1.149 459 W HN 0.353 nan 8.180 nan 0.000 0.482 460 L N 1.668 122.934 121.223 0.072 0.000 1.990 460 L HA -0.182 4.157 4.340 -0.001 0.000 0.213 460 L C 2.655 179.460 176.870 -0.108 0.000 1.072 460 L CA 3.004 57.730 54.840 -0.191 0.000 0.755 460 L CB -1.774 40.224 42.059 -0.103 0.000 0.889 460 L HN 0.181 nan 8.230 nan 0.000 0.432 461 A N -1.120 121.773 122.820 0.122 0.000 1.873 461 A HA -0.269 4.051 4.320 -0.001 0.000 0.218 461 A C 2.227 179.758 177.584 -0.089 0.000 1.193 461 A CA 1.953 54.059 52.037 0.115 0.000 0.629 461 A CB -0.788 18.286 19.000 0.123 0.000 0.826 461 A HN 0.520 nan 8.150 nan 0.000 0.447 462 E N -0.486 119.582 120.200 -0.219 0.000 2.097 462 E HA -0.210 4.140 4.350 -0.001 0.000 0.196 462 E C 1.906 178.375 176.600 -0.217 0.000 1.000 462 E CA 1.420 57.680 56.400 -0.234 0.000 0.804 462 E CB -0.383 29.151 29.700 -0.276 0.000 0.740 462 E HN 0.581 nan 8.360 nan 0.000 0.454 463 I N 1.071 121.444 120.570 -0.329 0.000 2.179 463 I HA -0.274 3.896 4.170 -0.001 0.000 0.242 463 I C 2.726 178.727 176.117 -0.193 0.000 1.088 463 I CA 1.222 62.329 61.300 -0.322 0.000 1.357 463 I CB -0.512 37.190 38.000 -0.496 0.000 1.051 463 I HN 0.144 nan 8.210 nan 0.000 0.409 464 Q N 0.285 119.987 119.800 -0.163 0.000 2.029 464 Q HA -0.340 3.999 4.340 -0.001 0.000 0.209 464 Q C 2.432 178.390 176.000 -0.071 0.000 0.999 464 Q CA 2.281 58.029 55.803 -0.091 0.000 0.857 464 Q CB -0.118 28.601 28.738 -0.031 0.000 0.926 464 Q HN 0.239 nan 8.270 nan 0.000 0.415 465 R N -0.114 120.343 120.500 -0.072 0.000 2.115 465 R HA -0.222 4.118 4.340 -0.001 0.000 0.239 465 R C 2.260 178.527 176.300 -0.055 0.000 1.133 465 R CA 1.856 57.920 56.100 -0.060 0.000 0.935 465 R CB -0.823 29.437 30.300 -0.066 0.000 0.853 465 R HN 0.403 nan 8.270 nan 0.000 0.433 466 L N 0.249 121.431 121.223 -0.068 0.000 1.955 466 L HA -0.102 4.237 4.340 -0.001 0.000 0.213 466 L C 2.153 178.997 176.870 -0.043 0.000 1.072 466 L CA 2.517 57.324 54.840 -0.055 0.000 0.755 466 L CB -1.322 40.696 42.059 -0.068 0.000 0.888 466 L HN 0.315 nan 8.230 nan 0.000 0.432 467 A N -0.766 122.023 122.820 -0.052 0.000 2.038 467 A HA -0.342 3.977 4.320 -0.001 0.000 0.224 467 A C 2.074 179.646 177.584 -0.020 0.000 1.190 467 A CA 2.050 54.069 52.037 -0.031 0.000 0.668 467 A CB -0.867 18.112 19.000 -0.036 0.000 0.820 467 A HN 0.672 nan 8.150 nan 0.000 0.474 468 E N -0.473 119.711 120.200 -0.026 0.000 2.169 468 E HA -0.239 4.110 4.350 -0.001 0.000 0.202 468 E C 2.173 178.764 176.600 -0.015 0.000 1.016 468 E CA 1.885 58.272 56.400 -0.021 0.000 0.817 468 E CB -0.221 29.465 29.700 -0.024 0.000 0.736 468 E HN 0.824 nan 8.360 nan 0.000 0.462 469 R N -0.447 120.044 120.500 -0.014 0.000 2.140 469 R HA 0.168 4.508 4.340 -0.001 0.000 0.200 469 R C 0.619 176.916 176.300 -0.004 0.000 1.069 469 R CA 0.237 56.331 56.100 -0.010 0.000 1.088 469 R CB 0.308 30.602 30.300 -0.011 0.000 1.012 469 R HN 0.020 nan 8.270 nan 0.000 0.500 470 E N 1.377 121.576 120.200 -0.003 0.000 3.170 470 E HA 0.176 4.526 4.350 -0.001 0.000 0.212 470 E C -2.308 174.303 176.600 0.019 0.000 1.143 470 E CA -1.691 54.713 56.400 0.007 0.000 1.139 470 E CB 1.434 31.139 29.700 0.007 0.000 1.346 470 E HN 0.000 nan 8.360 nan 0.000 0.432 471 P HA -0.301 nan 4.420 nan 0.000 0.214 471 P C 1.587 178.938 177.300 0.085 0.000 1.164 471 P CA 1.135 64.260 63.100 0.042 0.000 0.942 471 P CB 0.098 31.822 31.700 0.039 0.000 0.791 472 I N -0.511 120.122 120.570 0.105 0.000 2.099 472 I HA -0.291 3.878 4.170 -0.001 0.000 0.239 472 I C 1.856 178.089 176.117 0.194 0.000 1.066 472 I CA 2.530 63.949 61.300 0.199 0.000 1.324 472 I CB -1.479 36.595 38.000 0.123 0.000 1.037 472 I HN -0.083 nan 8.210 nan 0.000 0.401 473 A N 1.183 124.067 122.820 0.106 0.000 1.958 473 A HA -0.218 4.101 4.320 -0.001 0.000 0.221 473 A C 2.524 180.131 177.584 0.039 0.000 1.178 473 A CA 2.622 54.701 52.037 0.071 0.000 0.642 473 A CB -1.164 17.855 19.000 0.033 0.000 0.816 473 A HN 0.710 nan 8.150 nan 0.000 0.453 474 A N -0.788 122.046 122.820 0.023 0.000 1.832 474 A HA 0.023 4.343 4.320 -0.001 0.000 0.214 474 A C 2.203 179.767 177.584 -0.034 0.000 1.200 474 A CA 1.681 53.700 52.037 -0.029 0.000 0.610 474 A CB -1.203 17.772 19.000 -0.042 0.000 0.842 474 A HN 0.463 nan 8.150 nan 0.000 0.444 475 V N 0.514 120.437 119.914 0.016 0.000 2.278 475 V HA -0.350 3.770 4.120 -0.001 0.000 0.251 475 V C 2.724 178.746 176.094 -0.120 0.000 1.062 475 V CA 2.695 64.980 62.300 -0.025 0.000 1.038 475 V CB -0.918 30.954 31.823 0.082 0.000 0.646 475 V HN 0.735 nan 8.190 nan 0.000 0.447 476 R N 0.392 120.884 120.500 -0.013 0.000 2.094 476 R HA -0.222 4.117 4.340 -0.001 0.000 0.239 476 R C 1.910 178.180 176.300 -0.050 0.000 1.137 476 R CA 2.470 58.544 56.100 -0.042 0.000 0.943 476 R CB -0.495 29.896 30.300 0.153 0.000 0.850 476 R HN 0.520 nan 8.270 nan 0.000 0.433 477 D N 0.086 120.472 120.400 -0.023 0.000 2.269 477 D HA -0.109 4.531 4.640 -0.001 0.000 0.208 477 D C 1.741 178.096 176.300 0.091 0.000 0.963 477 D CA 0.568 54.585 54.000 0.029 0.000 0.864 477 D CB -0.120 40.694 40.800 0.023 0.000 0.936 477 D HN 0.211 nan 8.370 nan 0.000 0.505 478 L N 0.727 121.934 121.223 -0.028 0.000 2.046 478 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 478 L C 1.847 178.745 176.870 0.046 0.000 1.077 478 L CA 1.313 56.127 54.840 -0.042 0.000 0.747 478 L CB -0.278 41.665 42.059 -0.193 0.000 0.896 478 L HN -0.090 nan 8.230 nan 0.000 0.432 479 I N -0.782 119.759 120.570 -0.048 0.000 2.110 479 I HA -0.258 3.912 4.170 -0.001 0.000 0.236 479 I C 2.550 178.723 176.117 0.094 0.000 1.068 479 I CA 1.446 62.713 61.300 -0.056 0.000 1.333 479 I CB -1.768 36.152 38.000 -0.132 0.000 1.054 479 I HN 0.302 nan 8.210 nan 0.000 0.402 480 H N 0.963 120.036 119.070 0.004 0.000 2.422 480 H HA -0.101 4.455 4.556 -0.001 0.000 0.298 480 H C 2.298 177.680 175.328 0.090 0.000 1.098 480 H CA 1.517 57.597 56.048 0.053 0.000 1.315 480 H CB -0.752 29.043 29.762 0.056 0.000 1.382 480 H HN 0.406 nan 8.280 nan 0.000 0.523 481 G N 0.713 109.697 108.800 0.306 0.000 2.446 481 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.217 481 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.217 481 G C 1.596 176.517 174.900 0.034 0.000 1.168 481 G CA 1.271 46.565 45.100 0.323 0.000 0.771 481 G HN 0.530 nan 8.290 nan 0.000 0.551 482 M N -1.291 118.320 119.600 0.017 0.000 2.495 482 M HA 0.302 4.781 4.480 -0.001 0.000 0.237 482 M C 0.291 176.560 176.300 -0.051 0.000 1.131 482 M CA 0.891 56.104 55.300 -0.145 0.000 1.032 482 M CB 0.138 32.662 32.600 -0.126 0.000 1.513 482 M HN 0.008 nan 8.290 nan 0.000 0.488 483 D N 0.947 121.358 120.400 0.018 0.000 2.746 483 D HA -0.230 4.410 4.640 -0.001 0.000 0.236 483 D C 0.196 176.554 176.300 0.096 0.000 1.129 483 D CA 0.433 54.453 54.000 0.033 0.000 0.691 483 D CB -1.592 39.219 40.800 0.017 0.000 1.077 483 D HN 0.674 nan 8.370 nan 0.000 0.432 484 Y N 0.390 120.677 120.300 -0.021 0.000 2.151 484 Y HA -0.251 4.298 4.550 -0.001 0.000 0.284 484 Y C 2.259 178.227 175.900 0.114 0.000 1.166 484 Y CA 2.777 60.905 58.100 0.046 0.000 1.163 484 Y CB 0.017 38.461 38.460 -0.027 0.000 0.974 484 Y HN 0.356 nan 8.280 nan 0.000 0.511 485 E N -0.361 119.944 120.200 0.176 0.000 2.026 485 E HA -0.349 4.001 4.350 -0.001 0.000 0.206 485 E C 2.481 179.162 176.600 0.135 0.000 1.028 485 E CA 2.448 58.915 56.400 0.112 0.000 0.845 485 E CB -0.719 29.048 29.700 0.112 0.000 0.772 485 E HN 0.406 nan 8.360 nan 0.000 0.462 486 S N 0.329 116.140 115.700 0.186 0.000 2.372 486 S HA -0.264 4.205 4.470 -0.001 0.000 0.227 486 S C 1.855 176.543 174.600 0.148 0.000 1.044 486 S CA 1.716 60.037 58.200 0.202 0.000 1.050 486 S CB -1.073 62.200 63.200 0.122 0.000 0.901 486 S HN 0.655 nan 8.310 nan 0.000 0.447 487 W N 1.554 122.771 121.300 -0.139 0.000 2.302 487 W HA -0.260 4.400 4.660 -0.001 0.000 0.320 487 W C 1.842 178.189 176.519 -0.287 0.000 1.241 487 W CA 1.790 58.986 57.345 -0.250 0.000 1.264 487 W CB -0.606 28.587 29.460 -0.445 0.000 1.154 487 W HN 0.418 nan 8.180 nan 0.000 0.483 488 L N -0.306 120.691 121.223 -0.376 0.000 2.042 488 L HA -0.298 4.041 4.340 -0.001 0.000 0.210 488 L C 2.420 179.017 176.870 -0.455 0.000 1.076 488 L CA 1.660 56.176 54.840 -0.541 0.000 0.749 488 L CB -1.445 40.351 42.059 -0.438 0.000 0.893 488 L HN -0.059 nan 8.230 nan 0.000 0.432 489 Y N 0.379 120.555 120.300 -0.207 0.000 2.569 489 Y HA -0.197 4.352 4.550 -0.001 0.000 0.293 489 Y C 2.299 178.079 175.900 -0.200 0.000 1.144 489 Y CA 1.031 59.033 58.100 -0.163 0.000 1.321 489 Y CB -0.435 37.966 38.460 -0.099 0.000 0.982 489 Y HN 0.364 nan 8.280 nan 0.000 0.558 490 E N -1.986 118.110 120.200 -0.174 0.000 2.152 490 E HA -0.074 4.276 4.350 -0.001 0.000 0.195 490 E C 2.166 178.538 176.600 -0.380 0.000 0.934 490 E CA 1.042 57.304 56.400 -0.230 0.000 0.869 490 E CB -0.428 29.134 29.700 -0.229 0.000 0.842 490 E HN 0.194 nan 8.360 nan 0.000 0.472 491 T N 0.803 114.950 114.554 -0.680 0.000 2.777 491 T HA -0.046 4.303 4.350 -0.001 0.000 0.266 491 T C 1.065 175.526 174.700 -0.397 0.000 1.040 491 T CA 0.686 62.375 62.100 -0.685 0.000 1.141 491 T CB -0.187 68.010 68.868 -1.119 0.000 0.868 491 T HN -0.043 nan 8.240 nan 0.000 0.444 492 S N 2.743 118.228 115.700 -0.358 0.000 2.560 492 S HA 0.200 4.670 4.470 -0.001 0.000 0.284 492 S C -1.633 172.872 174.600 -0.158 0.000 1.327 492 S CA -1.134 56.926 58.200 -0.233 0.000 1.055 492 S CB 1.226 64.283 63.200 -0.237 0.000 0.868 492 S HN 0.376 nan 8.310 nan 0.000 0.506 493 P HA -0.055 nan 4.420 nan 0.000 0.207 493 P C 0.797 178.063 177.300 -0.058 0.000 0.993 493 P CA 0.414 63.467 63.100 -0.080 0.000 0.885 493 P CB -0.130 31.531 31.700 -0.064 0.000 0.600 494 S N -0.977 114.698 115.700 -0.041 0.000 2.596 494 S HA 0.076 4.546 4.470 -0.001 0.000 0.260 494 S C -1.582 173.018 174.600 -0.001 0.000 1.336 494 S CA -0.779 57.409 58.200 -0.019 0.000 0.993 494 S CB -0.519 62.672 63.200 -0.015 0.000 0.923 494 S HN -0.075 nan 8.310 nan 0.000 0.567 495 P HA 0.080 nan 4.420 nan 0.000 0.217 495 P C 0.943 178.318 177.300 0.125 0.000 1.154 495 P CA 1.134 64.314 63.100 0.133 0.000 0.841 495 P CB 0.074 31.840 31.700 0.109 0.000 0.788 496 K N -0.019 120.419 120.400 0.062 0.000 2.074 496 K HA -0.147 4.172 4.320 -0.001 0.000 0.209 496 K C 2.120 178.717 176.600 -0.004 0.000 1.048 496 K CA 1.766 58.076 56.287 0.038 0.000 0.926 496 K CB -0.896 31.614 32.500 0.016 0.000 0.713 496 K HN 0.030 nan 8.250 nan 0.000 0.444 497 A N 1.190 123.992 122.820 -0.030 0.000 1.933 497 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 497 A C 2.339 179.852 177.584 -0.120 0.000 1.175 497 A CA 1.777 53.776 52.037 -0.063 0.000 0.628 497 A CB -0.764 18.197 19.000 -0.065 0.000 0.814 497 A HN 0.333 nan 8.150 nan 0.000 0.444 498 A N 0.145 122.858 122.820 -0.179 0.000 1.845 498 A HA -0.208 4.111 4.320 -0.001 0.000 0.215 498 A C 2.021 179.354 177.584 -0.418 0.000 1.195 498 A CA 1.949 53.739 52.037 -0.412 0.000 0.616 498 A CB -0.790 17.800 19.000 -0.683 0.000 0.832 498 A HN 0.689 nan 8.150 nan 0.000 0.443 499 E N -1.018 119.030 120.200 -0.253 0.000 2.114 499 E HA -0.280 4.069 4.350 -0.001 0.000 0.199 499 E C 1.998 178.561 176.600 -0.062 0.000 1.008 499 E CA 1.891 58.252 56.400 -0.064 0.000 0.810 499 E CB -0.234 29.528 29.700 0.103 0.000 0.739 499 E HN 0.518 nan 8.360 nan 0.000 0.456 500 M N 0.859 120.424 119.600 -0.059 0.000 2.064 500 M HA -0.149 4.331 4.480 -0.001 0.000 0.260 500 M C 2.228 178.498 176.300 -0.051 0.000 1.073 500 M CA 1.766 57.043 55.300 -0.040 0.000 1.124 500 M CB -0.584 31.996 32.600 -0.033 0.000 1.326 500 M HN 0.115 nan 8.290 nan 0.000 0.410 501 R N -0.380 120.071 120.500 -0.082 0.000 2.153 501 R HA -0.253 4.087 4.340 -0.001 0.000 0.252 501 R C 2.106 178.379 176.300 -0.045 0.000 1.158 501 R CA 2.070 58.129 56.100 -0.069 0.000 0.975 501 R CB -0.770 29.471 30.300 -0.099 0.000 0.871 501 R HN 0.406 nan 8.270 nan 0.000 0.450 502 M N 1.428 120.978 119.600 -0.084 0.000 2.064 502 M HA -0.121 4.358 4.480 -0.001 0.000 0.260 502 M C 1.700 177.994 176.300 -0.009 0.000 1.073 502 M CA 1.758 57.032 55.300 -0.043 0.000 1.124 502 M CB -0.232 32.319 32.600 -0.082 0.000 1.326 502 M HN -0.116 nan 8.290 nan 0.000 0.410 503 K N 0.029 120.422 120.400 -0.012 0.000 2.059 503 K HA -0.224 4.096 4.320 -0.001 0.000 0.212 503 K C 1.807 178.406 176.600 -0.002 0.000 1.050 503 K CA 1.854 58.138 56.287 -0.004 0.000 0.927 503 K CB -0.614 31.880 32.500 -0.010 0.000 0.714 503 K HN 0.493 nan 8.250 nan 0.000 0.447 504 N N 0.634 119.342 118.700 0.014 0.000 2.094 504 N HA -0.171 4.569 4.740 -0.001 0.000 0.191 504 N C 1.928 177.468 175.510 0.049 0.000 1.023 504 N CA 1.419 54.517 53.050 0.079 0.000 0.857 504 N CB -0.475 38.026 38.487 0.024 0.000 1.013 504 N HN 0.005 nan 8.380 nan 0.000 0.426 505 V N 2.699 122.609 119.914 -0.007 0.000 2.233 505 V HA -0.247 3.872 4.120 -0.001 0.000 0.247 505 V C 2.106 178.212 176.094 0.020 0.000 1.050 505 V CA 1.485 63.764 62.300 -0.034 0.000 1.010 505 V CB -0.622 31.173 31.823 -0.046 0.000 0.637 505 V HN 0.326 nan 8.190 nan 0.000 0.444 506 N N 0.270 118.996 118.700 0.044 0.000 2.005 506 N HA -0.326 4.413 4.740 -0.001 0.000 0.199 506 N C 1.938 177.489 175.510 0.068 0.000 1.054 506 N CA 2.339 55.459 53.050 0.117 0.000 0.864 506 N CB -0.624 37.910 38.487 0.077 0.000 1.063 506 N HN 0.640 nan 8.380 nan 0.000 0.428 507 Q N 1.151 120.900 119.800 -0.085 0.000 2.065 507 Q HA -0.216 4.123 4.340 -0.001 0.000 0.213 507 Q C 2.179 177.978 176.000 -0.334 0.000 1.012 507 Q CA 2.056 57.652 55.803 -0.344 0.000 0.876 507 Q CB -0.734 27.668 28.738 -0.562 0.000 0.954 507 Q HN 0.398 nan 8.270 nan 0.000 0.413 508 L N -0.250 120.931 121.223 -0.070 0.000 2.021 508 L HA -0.172 4.168 4.340 -0.001 0.000 0.215 508 L C 2.111 179.132 176.870 0.251 0.000 1.074 508 L CA 2.141 57.035 54.840 0.091 0.000 0.760 508 L CB -0.945 41.177 42.059 0.104 0.000 0.889 508 L HN 0.481 nan 8.230 nan 0.000 0.433 509 F N 0.719 120.695 119.950 0.044 0.000 2.015 509 F HA -0.319 4.207 4.527 -0.001 0.000 0.297 509 F C 2.716 178.591 175.800 0.126 0.000 1.141 509 F CA 1.817 59.874 58.000 0.094 0.000 1.192 509 F CB -1.294 37.730 39.000 0.040 0.000 0.957 509 F HN 0.342 nan 8.300 nan 0.000 0.491 510 S N 0.314 116.057 115.700 0.072 0.000 2.368 510 S HA -0.302 4.167 4.470 -0.001 0.000 0.226 510 S C 1.972 176.637 174.600 0.109 0.000 1.044 510 S CA 1.566 59.715 58.200 -0.084 0.000 1.062 510 S CB -1.378 61.731 63.200 -0.152 0.000 0.931 510 S HN 0.533 nan 8.310 nan 0.000 0.440 511 W N 1.909 123.295 121.300 0.143 0.000 2.317 511 W HA -0.083 4.577 4.660 -0.001 0.000 0.318 511 W C 2.652 179.359 176.519 0.315 0.000 1.227 511 W CA 0.917 58.395 57.345 0.220 0.000 1.269 511 W CB -1.395 28.249 29.460 0.307 0.000 1.155 511 W HN 0.349 nan 8.180 nan 0.000 0.484 512 M N 0.301 120.386 119.600 0.809 0.000 2.113 512 M HA -0.288 4.192 4.480 -0.001 0.000 0.255 512 M C 1.780 178.228 176.300 0.247 0.000 1.073 512 M CA 2.886 58.523 55.300 0.561 0.000 1.091 512 M CB -0.824 32.160 32.600 0.639 0.000 1.309 512 M HN -0.109 nan 8.290 nan 0.000 0.407 513 T N 1.186 115.839 114.554 0.165 0.000 2.529 513 T HA -0.269 4.081 4.350 -0.001 0.000 0.261 513 T C 1.454 176.179 174.700 0.041 0.000 1.110 513 T CA 2.342 64.453 62.100 0.018 0.000 1.192 513 T CB -0.858 67.929 68.868 -0.136 0.000 0.864 513 T HN 0.742 nan 8.240 nan 0.000 0.407 514 E N 1.016 121.254 120.200 0.063 0.000 2.219 514 E HA -0.215 4.135 4.350 -0.001 0.000 0.198 514 E C 2.207 178.844 176.600 0.062 0.000 0.998 514 E CA 1.283 57.720 56.400 0.062 0.000 0.818 514 E CB -0.487 29.271 29.700 0.095 0.000 0.741 514 E HN 0.461 nan 8.360 nan 0.000 0.477 515 M N 0.504 120.157 119.600 0.089 0.000 2.086 515 M HA -0.099 4.381 4.480 -0.001 0.000 0.261 515 M C 2.249 178.550 176.300 0.001 0.000 1.067 515 M CA 1.472 56.791 55.300 0.033 0.000 1.116 515 M CB -0.018 32.582 32.600 -0.000 0.000 1.348 515 M HN 0.189 nan 8.290 nan 0.000 0.407 516 L N -0.615 120.613 121.223 0.009 0.000 2.005 516 L HA -0.194 4.146 4.340 -0.001 0.000 0.207 516 L C 2.266 179.135 176.870 -0.002 0.000 1.072 516 L CA 1.096 55.935 54.840 -0.001 0.000 0.744 516 L CB -0.823 41.244 42.059 0.012 0.000 0.895 516 L HN 0.273 nan 8.230 nan 0.000 0.433 517 E N 0.690 120.890 120.200 0.001 0.000 2.396 517 E HA -0.059 4.291 4.350 -0.001 0.000 0.200 517 E C 0.912 177.510 176.600 -0.003 0.000 1.023 517 E CA 0.715 57.112 56.400 -0.004 0.000 0.857 517 E CB -0.372 29.323 29.700 -0.007 0.000 0.775 517 E HN 0.506 nan 8.360 nan 0.000 0.525 518 G N 1.609 110.408 108.800 -0.001 0.000 2.892 518 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.686 518 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.686 518 G C -0.087 174.812 174.900 -0.002 0.000 1.244 518 G CA 0.323 45.420 45.100 -0.004 0.000 0.947 518 G HN 0.253 nan 8.290 nan 0.000 0.584 519 S N 0.458 116.156 115.700 -0.003 0.000 2.652 519 S HA 0.622 5.091 4.470 -0.001 0.000 0.270 519 S C 0.361 174.956 174.600 -0.007 0.000 1.243 519 S CA -0.147 58.052 58.200 -0.003 0.000 0.999 519 S CB 1.495 64.692 63.200 -0.004 0.000 0.973 519 S HN 0.657 nan 8.310 nan 0.000 0.544 520 E N 1.731 121.927 120.200 -0.006 0.000 2.597 520 E HA 0.452 4.801 4.350 -0.001 0.000 0.235 520 E C -0.129 176.465 176.600 -0.010 0.000 1.155 520 E CA -0.076 56.319 56.400 -0.008 0.000 1.199 520 E CB 0.758 30.454 29.700 -0.007 0.000 1.409 520 E HN 0.542 nan 8.360 nan 0.000 0.453 521 L N -0.471 120.745 121.223 -0.013 0.000 3.488 521 L HA 0.226 4.565 4.340 -0.001 0.000 0.396 521 L C -1.443 175.415 176.870 -0.019 0.000 1.003 521 L CA 0.516 55.346 54.840 -0.016 0.000 1.799 521 L CB 0.561 42.611 42.059 -0.015 0.000 2.581 521 L HN 0.049 nan 8.230 nan 0.000 0.537 522 D N 1.557 121.947 120.400 -0.018 0.000 2.896 522 D HA 0.473 5.112 4.640 -0.001 0.000 0.241 522 D C -0.876 175.412 176.300 -0.019 0.000 1.188 522 D CA -0.219 53.769 54.000 -0.021 0.000 0.879 522 D CB 1.938 42.724 40.800 -0.024 0.000 1.553 522 D HN 0.086 nan 8.370 nan 0.000 0.515 523 E N 2.563 122.750 120.200 -0.020 0.000 2.384 523 E HA 0.167 4.517 4.350 -0.001 0.000 0.266 523 E C -1.828 174.760 176.600 -0.020 0.000 1.012 523 E CA -1.282 55.106 56.400 -0.019 0.000 0.901 523 E CB 0.052 29.741 29.700 -0.020 0.000 0.967 523 E HN 0.282 nan 8.360 nan 0.000 0.435 524 P HA -0.101 nan 4.420 nan 0.000 0.269 524 P C -0.239 177.047 177.300 -0.023 0.000 1.200 524 P CA 0.656 63.746 63.100 -0.017 0.000 0.779 524 P CB 0.531 32.223 31.700 -0.014 0.000 0.841 525 M N 0.437 120.021 119.600 -0.027 0.000 2.598 525 M HA 0.306 4.785 4.480 -0.001 0.000 0.317 525 M C 0.742 177.022 176.300 -0.033 0.000 1.179 525 M CA -0.756 54.521 55.300 -0.037 0.000 0.936 525 M CB 2.126 34.691 32.600 -0.059 0.000 1.713 525 M HN 0.353 nan 8.290 nan 0.000 0.460 526 T N -0.898 113.636 114.554 -0.034 0.000 2.904 526 T HA 0.272 4.622 4.350 -0.001 0.000 0.290 526 T C 0.770 175.447 174.700 -0.038 0.000 1.018 526 T CA -0.801 61.282 62.100 -0.028 0.000 1.075 526 T CB 1.115 69.968 68.868 -0.025 0.000 0.986 526 T HN 0.643 nan 8.240 nan 0.000 0.523 527 L N 2.319 123.527 121.223 -0.026 0.000 2.191 527 L HA 0.036 4.376 4.340 -0.001 0.000 0.212 527 L C 2.478 179.324 176.870 -0.040 0.000 1.103 527 L CA 1.963 56.788 54.840 -0.026 0.000 0.769 527 L CB -1.370 40.690 42.059 0.003 0.000 0.908 527 L HN 0.950 nan 8.230 nan 0.000 0.438 528 T N -0.452 114.079 114.554 -0.037 0.000 2.788 528 T HA -0.181 4.169 4.350 -0.001 0.000 0.268 528 T C 1.726 176.391 174.700 -0.057 0.000 1.044 528 T CA 1.790 63.865 62.100 -0.041 0.000 1.139 528 T CB -0.082 68.762 68.868 -0.040 0.000 0.867 528 T HN 0.587 nan 8.240 nan 0.000 0.454 529 Q N 0.421 120.182 119.800 -0.065 0.000 1.994 529 Q HA -0.015 4.325 4.340 -0.001 0.000 0.198 529 Q C 2.501 178.416 176.000 -0.143 0.000 0.976 529 Q CA 1.013 56.769 55.803 -0.079 0.000 0.828 529 Q CB -0.710 27.988 28.738 -0.066 0.000 0.894 529 Q HN 0.270 nan 8.270 nan 0.000 0.432 530 V N 1.320 121.121 119.914 -0.189 0.000 2.357 530 V HA -0.319 3.800 4.120 -0.001 0.000 0.257 530 V C 2.311 178.077 176.094 -0.545 0.000 1.082 530 V CA 1.884 63.953 62.300 -0.385 0.000 1.078 530 V CB -0.657 30.972 31.823 -0.323 0.000 0.663 530 V HN 0.215 nan 8.190 nan 0.000 0.455 531 V N -0.457 119.311 119.914 -0.244 0.000 2.229 531 V HA -0.259 3.861 4.120 -0.001 0.000 0.243 531 V C 2.483 178.554 176.094 -0.038 0.000 1.042 531 V CA 2.571 64.820 62.300 -0.085 0.000 1.000 531 V CB -1.341 30.489 31.823 0.012 0.000 0.637 531 V HN 0.640 nan 8.190 nan 0.000 0.446 532 T N 0.177 114.706 114.554 -0.041 0.000 2.714 532 T HA -0.272 4.078 4.350 -0.001 0.000 0.268 532 T C 2.057 176.749 174.700 -0.012 0.000 1.036 532 T CA 1.596 63.694 62.100 -0.004 0.000 1.148 532 T CB -0.335 68.530 68.868 -0.004 0.000 0.856 532 T HN 0.246 nan 8.240 nan 0.000 0.462 533 R N 0.772 121.223 120.500 -0.083 0.000 2.082 533 R HA 0.011 4.350 4.340 -0.001 0.000 0.234 533 R C 2.182 178.479 176.300 -0.006 0.000 1.136 533 R CA 1.222 57.276 56.100 -0.077 0.000 0.935 533 R CB -1.420 28.790 30.300 -0.151 0.000 0.842 533 R HN 0.399 nan 8.270 nan 0.000 0.430 534 F N 1.459 121.365 119.950 -0.073 0.000 2.154 534 F HA -0.188 4.339 4.527 -0.001 0.000 0.301 534 F C 2.533 178.089 175.800 -0.408 0.000 1.087 534 F CA 1.269 59.141 58.000 -0.213 0.000 1.274 534 F CB -1.564 37.545 39.000 0.182 0.000 1.009 534 F HN 0.067 nan 8.300 nan 0.000 0.485 535 T N 0.389 114.980 114.554 0.062 0.000 2.803 535 T HA -0.142 4.207 4.350 -0.001 0.000 0.269 535 T C 2.029 176.758 174.700 0.049 0.000 1.052 535 T CA 0.998 63.132 62.100 0.057 0.000 1.136 535 T CB -0.379 68.552 68.868 0.106 0.000 0.864 535 T HN 0.200 nan 8.240 nan 0.000 0.467 536 L N 0.106 121.318 121.223 -0.018 0.000 2.591 536 L HA 0.282 4.622 4.340 -0.001 0.000 0.228 536 L C 0.548 177.295 176.870 -0.204 0.000 1.133 536 L CA 0.041 54.851 54.840 -0.050 0.000 0.880 536 L CB -0.204 41.837 42.059 -0.030 0.000 1.033 536 L HN 0.201 nan 8.230 nan 0.000 0.450 537 R N 0.087 120.314 120.500 -0.456 0.000 3.531 537 R HA -0.198 4.141 4.340 -0.001 0.000 0.280 537 R C -0.025 176.122 176.300 -0.255 0.000 1.130 537 R CA 0.687 56.324 56.100 -0.772 0.000 0.757 537 R CB -1.974 28.166 30.300 -0.268 0.000 1.218 537 R HN 0.251 nan 8.270 nan 0.000 0.454 538 D N 0.875 121.170 120.400 -0.175 0.000 2.558 538 D HA 0.097 4.737 4.640 -0.001 0.000 0.221 538 D C 1.524 177.834 176.300 0.016 0.000 1.143 538 D CA -0.302 53.664 54.000 -0.057 0.000 1.010 538 D CB 0.260 41.025 40.800 -0.058 0.000 1.068 538 D HN 0.348 nan 8.370 nan 0.000 0.511 539 M N 2.437 122.095 119.600 0.096 0.000 2.549 539 M HA 0.002 4.482 4.480 -0.001 0.000 0.260 539 M C 0.782 176.489 176.300 -0.988 0.000 1.076 539 M CA 0.117 55.297 55.300 -0.200 0.000 1.090 539 M CB -0.964 31.581 32.600 -0.092 0.000 1.418 539 M HN 0.440 nan 8.290 nan 0.000 0.486 540 M N 0.553 119.858 119.600 -0.491 0.000 3.923 540 M HA -0.203 4.277 4.480 -0.001 0.000 0.158 540 M C -0.311 175.706 176.300 -0.473 0.000 1.513 540 M CA 0.705 55.744 55.300 -0.435 0.000 1.059 540 M CB -1.364 30.996 32.600 -0.400 0.000 1.337 540 M HN 0.195 nan 8.290 nan 0.000 0.314 541 E N 0.886 120.951 120.200 -0.224 0.000 2.065 541 E HA -0.097 4.252 4.350 -0.001 0.000 0.201 541 E C 1.548 178.174 176.600 0.044 0.000 1.016 541 E CA 2.597 58.956 56.400 -0.067 0.000 0.818 541 E CB -0.487 29.195 29.700 -0.031 0.000 0.749 541 E HN 0.930 nan 8.360 nan 0.000 0.453 547 E N -0.401 119.808 120.200 0.014 0.000 3.887 547 E HA 0.545 4.895 4.350 -0.001 0.000 0.210 547 E C -0.060 176.556 176.600 0.026 0.000 1.087 547 E CA 1.095 57.507 56.400 0.020 0.000 1.464 547 E CB -0.976 28.735 29.700 0.019 0.000 1.200 547 E HN 1.434 nan 8.360 nan 0.000 0.387 548 E N -0.597 119.618 120.200 0.026 0.000 2.418 548 E HA 0.693 5.043 4.350 -0.001 0.000 0.261 548 E C 0.938 177.569 176.600 0.050 0.000 1.070 548 E CA 0.118 56.539 56.400 0.034 0.000 0.931 548 E CB 0.316 30.033 29.700 0.028 0.000 0.954 548 E HN 1.961 nan 8.360 nan 0.000 0.439 549 L N 2.608 123.866 121.223 0.058 0.000 2.565 549 L HA 0.286 4.626 4.340 -0.001 0.000 0.275 549 L C 0.644 177.584 176.870 0.117 0.000 1.137 549 L CA 0.180 55.066 54.840 0.076 0.000 0.915 549 L CB -0.633 41.462 42.059 0.059 0.000 1.232 549 L HN 0.755 nan 8.230 nan 0.000 0.473 550 D N 2.736 123.221 120.400 0.141 0.000 2.885 550 D HA 0.121 4.761 4.640 -0.001 0.000 0.234 550 D C 0.328 176.847 176.300 0.365 0.000 1.129 550 D CA 0.274 54.391 54.000 0.195 0.000 0.991 550 D CB 0.126 41.023 40.800 0.162 0.000 1.137 550 D HN 0.937 nan 8.370 nan 0.000 0.459 551 Q N -1.632 118.357 119.800 0.316 0.000 2.814 551 Q HA 0.517 4.856 4.340 -0.001 0.000 0.283 551 Q C -0.561 175.655 176.000 0.360 0.000 1.071 551 Q CA -1.126 54.890 55.803 0.355 0.000 0.849 551 Q CB 1.090 29.912 28.738 0.139 0.000 1.437 551 Q HN -0.072 nan 8.270 nan 0.000 0.492 552 V N 1.737 121.852 119.914 0.336 0.000 2.572 552 V HA 0.021 4.141 4.120 -0.001 0.000 0.291 552 V C -0.363 175.867 176.094 0.227 0.000 1.039 552 V CA -0.155 62.330 62.300 0.309 0.000 1.055 552 V CB 0.620 32.605 31.823 0.270 0.000 0.969 552 V HN 0.621 nan 8.190 nan 0.000 0.482 553 Q N 4.017 123.888 119.800 0.117 0.000 2.490 553 Q HA 0.423 4.763 4.340 -0.001 0.000 0.226 553 Q C -0.587 175.356 176.000 -0.093 0.000 1.132 553 Q CA 0.246 56.047 55.803 -0.003 0.000 0.928 553 Q CB 0.810 29.459 28.738 -0.147 0.000 1.299 553 Q HN 0.710 nan 8.270 nan 0.000 0.528 554 L N 4.180 125.440 121.223 0.061 0.000 2.272 554 L HA 0.692 5.032 4.340 -0.001 0.000 0.289 554 L C -0.714 176.205 176.870 0.083 0.000 1.032 554 L CA -0.151 54.746 54.840 0.094 0.000 0.810 554 L CB 0.272 42.454 42.059 0.205 0.000 1.205 554 L HN 0.679 nan 8.230 nan 0.000 0.422 555 M N 2.309 121.780 119.600 -0.215 0.000 2.833 555 M HA 0.459 4.939 4.480 -0.001 0.000 0.270 555 M C -0.998 174.742 176.300 -0.932 0.000 1.209 555 M CA -0.700 54.403 55.300 -0.329 0.000 0.826 555 M CB 1.646 34.167 32.600 -0.133 0.000 1.657 555 M HN 0.318 nan 8.290 nan 0.000 0.492 556 T N 1.505 115.771 114.554 -0.479 0.000 2.748 556 T HA 0.183 4.533 4.350 -0.001 0.000 0.304 556 T C 1.271 175.807 174.700 -0.274 0.000 1.041 556 T CA -0.589 61.290 62.100 -0.368 0.000 1.033 556 T CB 0.549 69.428 68.868 0.019 0.000 0.995 556 T HN 0.548 nan 8.240 nan 0.000 0.536 557 L N 0.352 121.474 121.223 -0.169 0.000 2.027 557 L HA -0.100 4.240 4.340 -0.001 0.000 0.206 557 L C 2.406 179.172 176.870 -0.173 0.000 1.074 557 L CA 2.099 56.829 54.840 -0.182 0.000 0.745 557 L CB -1.206 40.740 42.059 -0.188 0.000 0.898 557 L HN 0.743 nan 8.230 nan 0.000 0.433 558 H N -0.393 118.636 119.070 -0.069 0.000 2.387 558 H HA -0.066 4.489 4.556 -0.001 0.000 0.299 558 H C 1.977 177.350 175.328 0.075 0.000 1.099 558 H CA 1.300 57.332 56.048 -0.027 0.000 1.315 558 H CB -0.127 29.579 29.762 -0.093 0.000 1.380 558 H HN 0.383 nan 8.280 nan 0.000 0.513 559 A N -0.000 122.905 122.820 0.142 0.000 2.255 559 A HA -0.022 4.297 4.320 -0.001 0.000 0.206 559 A C 1.888 179.512 177.584 0.066 0.000 1.193 559 A CA 0.972 53.073 52.037 0.106 0.000 0.794 559 A CB -0.211 18.828 19.000 0.066 0.000 0.794 559 A HN 0.352 nan 8.150 nan 0.000 0.481 560 S N -0.227 115.492 115.700 0.031 0.000 2.404 560 S HA 0.032 4.502 4.470 -0.001 0.000 0.223 560 S C 0.990 175.607 174.600 0.028 0.000 1.040 560 S CA 0.060 58.281 58.200 0.036 0.000 0.957 560 S CB -0.276 62.912 63.200 -0.019 0.000 0.826 560 S HN 0.664 nan 8.310 nan 0.000 0.491 561 K N 2.375 122.783 120.400 0.013 0.000 3.538 561 K HA -0.110 4.210 4.320 -0.001 0.000 0.251 561 K C 0.195 176.778 176.600 -0.027 0.000 1.061 561 K CA 0.605 56.890 56.287 -0.003 0.000 1.095 561 K CB -1.428 31.107 32.500 0.058 0.000 1.448 561 K HN 0.509 nan 8.250 nan 0.000 0.483 562 G N 2.794 111.561 108.800 -0.055 0.000 2.883 562 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.219 562 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.219 562 G C -1.150 173.712 174.900 -0.062 0.000 0.908 562 G CA -0.265 44.794 45.100 -0.067 0.000 0.978 562 G HN 0.551 nan 8.290 nan 0.000 0.365 563 L N 0.973 122.145 121.223 -0.085 0.000 3.189 563 L HA 0.528 4.868 4.340 -0.001 0.000 0.244 563 L C -0.563 176.173 176.870 -0.224 0.000 0.980 563 L CA -0.741 54.013 54.840 -0.144 0.000 1.035 563 L CB 1.669 43.716 42.059 -0.021 0.000 1.625 563 L HN 1.032 nan 8.230 nan 0.000 0.447 564 E N 2.103 122.014 120.200 -0.482 0.000 2.293 564 E HA 0.759 5.109 4.350 -0.001 0.000 0.270 564 E C -1.759 174.329 176.600 -0.852 0.000 0.879 564 E CA -0.575 55.556 56.400 -0.450 0.000 0.756 564 E CB 2.508 32.049 29.700 -0.264 0.000 1.208 564 E HN 0.238 nan 8.360 nan 0.000 0.428 565 F N 1.528 121.401 119.950 -0.128 0.000 2.565 565 F HA 0.338 4.865 4.527 -0.001 0.000 0.313 565 F C -1.745 173.903 175.800 -0.253 0.000 1.091 565 F CA -2.183 55.708 58.000 -0.181 0.000 0.915 565 F CB 2.287 41.209 39.000 -0.131 0.000 1.208 565 F HN 0.306 nan 8.300 nan 0.000 0.453 566 P HA -0.125 nan 4.420 nan 0.000 0.216 566 P C -0.803 176.189 177.300 -0.512 0.000 1.153 566 P CA 1.677 64.416 63.100 -0.601 0.000 0.848 566 P CB 0.255 31.260 31.700 -1.159 0.000 0.787 567 Y N -1.395 118.885 120.300 -0.033 0.000 2.346 567 Y HA 0.504 5.054 4.550 -0.001 0.000 0.332 567 Y C -0.076 175.893 175.900 0.115 0.000 0.985 567 Y CA -1.555 56.555 58.100 0.016 0.000 1.112 567 Y CB 1.334 39.806 38.460 0.019 0.000 1.170 567 Y HN -0.360 nan 8.280 nan 0.000 0.447 568 V N 3.230 123.204 119.914 0.099 0.000 2.815 568 V HA 0.442 4.562 4.120 -0.001 0.000 0.314 568 V C -1.303 174.629 176.094 -0.270 0.000 1.064 568 V CA -1.110 61.202 62.300 0.019 0.000 0.952 568 V CB 2.047 33.822 31.823 -0.081 0.000 1.020 568 V HN 0.615 nan 8.190 nan 0.000 0.439 569 Y N 2.932 123.196 120.300 -0.061 0.000 2.705 569 Y HA 0.451 5.000 4.550 -0.001 0.000 0.355 569 Y C 0.429 176.275 175.900 -0.091 0.000 1.039 569 Y CA -0.645 57.432 58.100 -0.039 0.000 1.233 569 Y CB 1.194 39.681 38.460 0.046 0.000 1.103 569 Y HN 0.483 nan 8.280 nan 0.000 0.624 570 M N 3.801 123.295 119.600 -0.177 0.000 3.445 570 M HA 0.078 4.558 4.480 -0.001 0.000 0.224 570 M C 0.320 176.602 176.300 -0.030 0.000 1.551 570 M CA -0.196 54.993 55.300 -0.185 0.000 1.671 570 M CB -0.505 31.830 32.600 -0.441 0.000 1.159 570 M HN 0.470 nan 8.290 nan 0.000 0.547 571 V N 0.199 120.162 119.914 0.082 0.000 3.287 571 V HA 0.448 4.567 4.120 -0.001 0.000 0.306 571 V C 1.042 177.250 176.094 0.190 0.000 1.103 571 V CA 0.045 62.461 62.300 0.193 0.000 1.159 571 V CB 0.364 32.375 31.823 0.312 0.000 1.036 571 V HN 0.969 nan 8.190 nan 0.000 0.487 572 G N 4.060 112.964 108.800 0.173 0.000 2.367 572 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.295 572 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.295 572 G C 0.072 174.998 174.900 0.043 0.000 1.019 572 G CA 0.383 45.502 45.100 0.032 0.000 1.224 572 G HN 0.928 nan 8.290 nan 0.000 0.510 573 M N 0.804 120.450 119.600 0.077 0.000 2.729 573 M HA 0.128 4.607 4.480 -0.001 0.000 0.229 573 M C 1.194 177.543 176.300 0.081 0.000 1.280 573 M CA 0.259 55.654 55.300 0.158 0.000 1.012 573 M CB -0.807 31.957 32.600 0.273 0.000 1.603 573 M HN 0.711 nan 8.290 nan 0.000 0.452 574 E N -0.567 119.607 120.200 -0.044 0.000 2.322 574 E HA 0.151 4.501 4.350 -0.001 0.000 0.257 574 E C 0.411 177.023 176.600 0.020 0.000 1.155 574 E CA -0.294 56.074 56.400 -0.053 0.000 0.936 574 E CB 1.121 30.711 29.700 -0.183 0.000 1.130 574 E HN 0.004 nan 8.360 nan 0.000 0.465 575 E N 1.077 121.283 120.200 0.009 0.000 1.996 575 E HA -0.102 4.248 4.350 -0.001 0.000 0.197 575 E C 1.936 178.566 176.600 0.051 0.000 1.002 575 E CA 2.007 58.396 56.400 -0.019 0.000 0.840 575 E CB -1.114 28.562 29.700 -0.039 0.000 0.786 575 E HN 0.726 nan 8.360 nan 0.000 0.469 576 G N 0.113 108.974 108.800 0.101 0.000 2.732 576 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.222 576 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.222 576 G C 1.351 176.308 174.900 0.096 0.000 1.203 576 G CA 1.691 46.836 45.100 0.075 0.000 0.780 576 G HN 0.234 nan 8.290 nan 0.000 0.621 577 F N 0.295 120.236 119.950 -0.015 0.000 1.980 577 F HA 0.057 4.584 4.527 -0.001 0.000 0.297 577 F C 2.612 178.526 175.800 0.189 0.000 1.225 577 F CA 0.895 58.966 58.000 0.118 0.000 1.176 577 F CB -1.485 37.614 39.000 0.166 0.000 0.961 577 F HN 0.078 nan 8.300 nan 0.000 0.501 578 L N 0.252 121.719 121.223 0.407 0.000 1.929 578 L HA -0.144 4.195 4.340 -0.001 0.000 0.229 578 L C -1.523 175.531 176.870 0.307 0.000 1.086 578 L CA 1.364 56.408 54.840 0.340 0.000 0.798 578 L CB -1.380 40.874 42.059 0.324 0.000 0.898 578 L HN 0.027 nan 8.230 nan 0.000 0.436 579 P HA 0.025 nan 4.420 nan 0.000 0.268 579 P C -1.178 176.189 177.300 0.112 0.000 1.282 579 P CA 0.364 63.501 63.100 0.062 0.000 0.880 579 P CB 0.051 31.501 31.700 -0.417 0.000 0.971 580 H N 2.314 121.451 119.070 0.111 0.000 2.848 580 H HA 0.002 4.558 4.556 -0.001 0.000 0.341 580 H C 1.384 176.733 175.328 0.036 0.000 1.060 580 H CA 0.648 56.740 56.048 0.074 0.000 1.444 580 H CB 0.908 30.701 29.762 0.052 0.000 1.446 580 H HN 0.341 nan 8.280 nan 0.000 0.583 581 Q N 2.080 121.673 119.800 -0.345 0.000 2.077 581 Q HA -0.256 4.084 4.340 -0.001 0.000 0.206 581 Q C 2.400 178.411 176.000 0.018 0.000 0.989 581 Q CA 2.241 57.953 55.803 -0.152 0.000 0.853 581 Q CB -0.322 28.290 28.738 -0.210 0.000 0.907 581 Q HN 0.859 nan 8.270 nan 0.000 0.418 582 S N -0.232 115.580 115.700 0.187 0.000 2.390 582 S HA -0.311 4.159 4.470 -0.001 0.000 0.234 582 S C 2.127 176.783 174.600 0.093 0.000 1.063 582 S CA 1.841 60.137 58.200 0.159 0.000 1.108 582 S CB -0.922 62.382 63.200 0.172 0.000 0.975 582 S HN 0.296 nan 8.310 nan 0.000 0.442 583 S N 1.862 117.633 115.700 0.118 0.000 2.357 583 S HA 0.134 4.604 4.470 -0.001 0.000 0.221 583 S C 1.859 176.501 174.600 0.070 0.000 1.031 583 S CA 1.148 59.405 58.200 0.094 0.000 0.982 583 S CB -0.612 62.665 63.200 0.129 0.000 0.853 583 S HN 0.508 nan 8.310 nan 0.000 0.458 584 I N 1.959 122.562 120.570 0.055 0.000 2.074 584 I HA -0.276 3.894 4.170 -0.001 0.000 0.238 584 I C 0.605 176.733 176.117 0.018 0.000 1.037 584 I CA 1.639 62.950 61.300 0.019 0.000 1.301 584 I CB -0.772 37.219 38.000 -0.016 0.000 1.016 584 I HN 0.400 nan 8.210 nan 0.000 0.400 585 D N 0.079 120.488 120.400 0.014 0.000 2.713 585 D HA 0.163 4.802 4.640 -0.001 0.000 0.229 585 D C 0.490 176.805 176.300 0.025 0.000 1.136 585 D CA 0.074 54.082 54.000 0.014 0.000 1.010 585 D CB 0.667 41.470 40.800 0.005 0.000 1.084 585 D HN 0.291 nan 8.370 nan 0.000 0.495 586 E N 0.821 121.040 120.200 0.031 0.000 2.521 586 E HA -0.050 4.299 4.350 -0.001 0.000 0.199 586 E C 0.409 177.031 176.600 0.036 0.000 1.006 586 E CA 0.659 57.080 56.400 0.036 0.000 1.630 586 E CB 0.450 30.176 29.700 0.044 0.000 2.725 586 E HN 0.277 nan 8.360 nan 0.000 1.103 587 D N -0.565 119.858 120.400 0.038 0.000 2.277 587 D HA -0.200 4.439 4.640 -0.001 0.000 0.167 587 D C -0.488 175.839 176.300 0.046 0.000 0.974 587 D CA 0.806 54.828 54.000 0.037 0.000 1.013 587 D CB -1.463 39.356 40.800 0.032 0.000 1.086 587 D HN 0.198 nan 8.370 nan 0.000 0.498 588 N N 0.075 118.809 118.700 0.056 0.000 2.392 588 N HA 0.563 5.302 4.740 -0.001 0.000 0.283 588 N C 0.745 176.311 175.510 0.093 0.000 1.003 588 N CA -0.328 52.764 53.050 0.069 0.000 0.892 588 N CB 1.224 39.751 38.487 0.066 0.000 1.193 588 N HN 0.245 nan 8.380 nan 0.000 0.487 589 I N -0.787 119.852 120.570 0.114 0.000 4.774 589 I HA 0.367 4.536 4.170 -0.001 0.000 0.330 589 I C 1.110 177.339 176.117 0.188 0.000 1.287 589 I CA -0.067 61.339 61.300 0.177 0.000 1.311 589 I CB -0.235 37.880 38.000 0.192 0.000 1.315 589 I HN 0.253 nan 8.210 nan 0.000 0.459 590 D N 2.367 122.839 120.400 0.120 0.000 2.200 590 D HA -0.244 4.396 4.640 -0.001 0.000 0.192 590 D C 1.884 178.229 176.300 0.075 0.000 1.008 590 D CA 1.782 55.826 54.000 0.074 0.000 0.872 590 D CB 0.015 40.837 40.800 0.038 0.000 0.923 590 D HN 0.427 nan 8.370 nan 0.000 0.447 591 E N 0.487 120.745 120.200 0.097 0.000 2.023 591 E HA -0.173 4.176 4.350 -0.001 0.000 0.196 591 E C 2.010 178.670 176.600 0.099 0.000 1.003 591 E CA 0.849 57.310 56.400 0.103 0.000 0.809 591 E CB -0.053 29.727 29.700 0.133 0.000 0.755 591 E HN 0.328 nan 8.360 nan 0.000 0.449 592 E N 0.440 120.735 120.200 0.159 0.000 2.118 592 E HA -0.188 4.161 4.350 -0.001 0.000 0.195 592 E C 2.108 178.727 176.600 0.032 0.000 0.992 592 E CA 0.613 57.138 56.400 0.208 0.000 0.804 592 E CB -0.220 29.724 29.700 0.408 0.000 0.741 592 E HN 0.187 nan 8.360 nan 0.000 0.458 593 R N 0.590 121.055 120.500 -0.057 0.000 2.103 593 R HA -0.124 4.215 4.340 -0.001 0.000 0.234 593 R C 2.426 178.591 176.300 -0.225 0.000 1.132 593 R CA 1.405 57.249 56.100 -0.427 0.000 0.925 593 R CB -0.660 29.540 30.300 -0.168 0.000 0.842 593 R HN 0.221 nan 8.270 nan 0.000 0.430 594 R N 0.725 121.208 120.500 -0.027 0.000 2.112 594 R HA -0.184 4.155 4.340 -0.001 0.000 0.242 594 R C 2.569 178.866 176.300 -0.006 0.000 1.137 594 R CA 1.656 57.800 56.100 0.074 0.000 0.944 594 R CB -0.880 29.456 30.300 0.060 0.000 0.857 594 R HN 0.218 nan 8.270 nan 0.000 0.435 595 L N 0.391 121.578 121.223 -0.061 0.000 2.011 595 L HA -0.349 3.990 4.340 -0.001 0.000 0.225 595 L C 2.659 179.468 176.870 -0.101 0.000 1.084 595 L CA 1.878 56.645 54.840 -0.122 0.000 0.791 595 L CB -0.531 41.480 42.059 -0.080 0.000 0.898 595 L HN 0.373 nan 8.230 nan 0.000 0.440 596 A N -1.334 121.421 122.820 -0.110 0.000 1.858 596 A HA -0.313 4.007 4.320 -0.001 0.000 0.216 596 A C 2.135 179.719 177.584 0.001 0.000 1.190 596 A CA 1.727 53.716 52.037 -0.081 0.000 0.617 596 A CB -1.196 17.662 19.000 -0.237 0.000 0.827 596 A HN 0.592 nan 8.150 nan 0.000 0.443 597 Y N 1.249 121.449 120.300 -0.165 0.000 2.038 597 Y HA -0.311 4.239 4.550 -0.001 0.000 0.266 597 Y C 2.355 178.210 175.900 -0.076 0.000 1.220 597 Y CA 1.926 59.966 58.100 -0.100 0.000 1.107 597 Y CB -1.198 37.212 38.460 -0.084 0.000 0.932 597 Y HN 0.095 nan 8.280 nan 0.000 0.500 598 V N 0.375 120.285 119.914 -0.008 0.000 2.215 598 V HA -0.340 3.779 4.120 -0.001 0.000 0.246 598 V C 2.815 178.868 176.094 -0.068 0.000 1.047 598 V CA 2.521 64.731 62.300 -0.150 0.000 0.999 598 V CB -1.721 29.998 31.823 -0.172 0.000 0.635 598 V HN 0.613 nan 8.190 nan 0.000 0.450 599 G N 0.160 108.914 108.800 -0.076 0.000 2.663 599 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.222 599 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.222 599 G C 1.409 176.267 174.900 -0.069 0.000 1.146 599 G CA 1.961 47.011 45.100 -0.084 0.000 0.764 599 G HN 0.576 nan 8.290 nan 0.000 0.608 600 I N 0.936 121.490 120.570 -0.027 0.000 2.072 600 I HA -0.169 4.001 4.170 -0.001 0.000 0.235 600 I C 3.071 179.195 176.117 0.013 0.000 1.058 600 I CA 1.903 63.197 61.300 -0.010 0.000 1.320 600 I CB -1.424 36.626 38.000 0.084 0.000 1.047 600 I HN 0.235 nan 8.210 nan 0.000 0.397 601 T N 0.012 114.604 114.554 0.063 0.000 2.882 601 T HA -0.181 4.169 4.350 -0.001 0.000 0.268 601 T C 1.789 176.484 174.700 -0.008 0.000 1.104 601 T CA 1.022 63.145 62.100 0.038 0.000 1.118 601 T CB -0.513 68.367 68.868 0.020 0.000 0.831 601 T HN 0.266 nan 8.240 nan 0.000 0.529 602 R N 1.706 122.201 120.500 -0.009 0.000 2.148 602 R HA 0.340 4.679 4.340 -0.001 0.000 0.223 602 R C 1.301 177.631 176.300 0.051 0.000 1.088 602 R CA 0.712 56.823 56.100 0.019 0.000 0.985 602 R CB -0.796 29.536 30.300 0.054 0.000 0.880 602 R HN 0.578 nan 8.270 nan 0.000 0.451 603 A N 1.936 124.772 122.820 0.027 0.000 2.310 603 A HA 0.219 4.539 4.320 -0.001 0.000 0.299 603 A C 1.101 178.684 177.584 -0.002 0.000 1.147 603 A CA -0.554 51.500 52.037 0.028 0.000 0.818 603 A CB 0.766 19.768 19.000 0.003 0.000 1.096 603 A HN 0.288 nan 8.150 nan 0.000 0.495 604 Q N 1.185 120.972 119.800 -0.021 0.000 2.390 604 Q HA 0.123 4.463 4.340 -0.001 0.000 0.216 604 Q C 0.912 176.913 176.000 0.003 0.000 0.916 604 Q CA 0.532 56.319 55.803 -0.028 0.000 0.911 604 Q CB -0.072 28.628 28.738 -0.064 0.000 1.035 604 Q HN 0.561 nan 8.270 nan 0.000 0.541 605 K N 1.596 122.014 120.400 0.030 0.000 2.102 605 K HA 0.086 4.406 4.320 -0.001 0.000 0.208 605 K C -0.019 176.682 176.600 0.169 0.000 1.027 605 K CA 1.255 57.624 56.287 0.137 0.000 0.958 605 K CB 0.555 33.227 32.500 0.287 0.000 0.819 605 K HN 0.410 nan 8.250 nan 0.000 0.453 606 E N 0.348 120.696 120.200 0.247 0.000 2.278 606 E HA 0.376 4.725 4.350 -0.001 0.000 0.272 606 E C -1.356 175.268 176.600 0.039 0.000 0.890 606 E CA -0.846 55.638 56.400 0.140 0.000 0.770 606 E CB 1.547 31.340 29.700 0.156 0.000 1.212 606 E HN -0.060 nan 8.360 nan 0.000 0.415 607 L N 2.297 123.495 121.223 -0.040 0.000 2.352 607 L HA 0.698 5.037 4.340 -0.001 0.000 0.269 607 L C -0.760 175.983 176.870 -0.211 0.000 1.034 607 L CA 0.112 54.855 54.840 -0.162 0.000 0.806 607 L CB 1.979 43.953 42.059 -0.143 0.000 1.244 607 L HN 0.850 nan 8.230 nan 0.000 0.447 608 T N 0.263 114.589 114.554 -0.379 0.000 3.143 608 T HA 0.502 4.851 4.350 -0.001 0.000 0.312 608 T C -0.294 174.256 174.700 -0.250 0.000 0.986 608 T CA -0.501 61.435 62.100 -0.274 0.000 1.024 608 T CB -0.032 68.554 68.868 -0.471 0.000 1.030 608 T HN 0.261 nan 8.240 nan 0.000 0.448 609 F N 1.732 121.593 119.950 -0.149 0.000 2.299 609 F HA 0.765 5.292 4.527 -0.001 0.000 0.293 609 F C 1.411 177.193 175.800 -0.031 0.000 1.252 609 F CA -0.272 57.678 58.000 -0.084 0.000 1.160 609 F CB 0.886 39.819 39.000 -0.112 0.000 1.405 609 F HN 0.696 nan 8.300 nan 0.000 0.517 610 T N 2.185 116.873 114.554 0.224 0.000 3.343 610 T HA 0.482 4.832 4.350 -0.001 0.000 0.383 610 T C -2.002 172.789 174.700 0.151 0.000 1.615 610 T CA -0.778 61.424 62.100 0.170 0.000 1.153 610 T CB 1.001 69.979 68.868 0.183 0.000 1.434 610 T HN 0.535 nan 8.240 nan 0.000 0.476 611 L N 0.495 121.788 121.223 0.118 0.000 2.464 611 L HA 0.741 5.081 4.340 -0.001 0.000 0.266 611 L C -0.153 176.718 176.870 0.003 0.000 0.965 611 L CA -0.862 54.004 54.840 0.043 0.000 0.833 611 L CB 0.244 42.349 42.059 0.077 0.000 1.296 611 L HN 0.739 nan 8.230 nan 0.000 0.405 612 C N 2.790 122.032 119.300 -0.098 0.000 2.637 612 C HA 0.496 4.955 4.460 -0.001 0.000 0.418 612 C C 1.861 176.819 174.990 -0.053 0.000 1.319 612 C CA 0.717 59.692 59.018 -0.072 0.000 1.949 612 C CB 0.883 28.542 27.740 -0.135 0.000 2.639 612 C HN 1.112 nan 8.230 nan 0.000 0.594 613 K N 1.752 122.146 120.400 -0.009 0.000 2.379 613 K HA 0.448 4.768 4.320 -0.001 0.000 0.194 613 K C 0.544 177.143 176.600 -0.001 0.000 1.031 613 K CA 1.478 57.762 56.287 -0.005 0.000 1.037 613 K CB -0.293 32.208 32.500 0.002 0.000 0.824 613 K HN 0.999 nan 8.250 nan 0.000 0.516 614 E N -0.874 119.333 120.200 0.010 0.000 2.343 614 E HA 0.648 4.997 4.350 -0.001 0.000 0.278 614 E C -0.438 176.204 176.600 0.070 0.000 0.910 614 E CA -0.327 56.092 56.400 0.031 0.000 0.757 614 E CB 0.674 30.386 29.700 0.020 0.000 1.218 614 E HN 0.889 nan 8.360 nan 0.000 0.435 615 R N -0.674 119.884 120.500 0.097 0.000 2.528 615 R HA 0.838 5.177 4.340 -0.001 0.000 0.271 615 R C 1.114 177.472 176.300 0.096 0.000 1.056 615 R CA 0.451 56.642 56.100 0.151 0.000 1.117 615 R CB 0.170 30.565 30.300 0.158 0.000 1.085 615 R HN 1.540 nan 8.270 nan 0.000 0.530 616 R N 0.213 120.770 120.500 0.095 0.000 2.509 616 R HA 0.459 4.799 4.340 -0.001 0.000 0.300 616 R C 1.164 177.469 176.300 0.008 0.000 0.985 616 R CA 0.936 57.064 56.100 0.047 0.000 1.092 616 R CB -1.090 29.241 30.300 0.051 0.000 1.237 616 R HN 1.285 nan 8.270 nan 0.000 0.546 617 Q N -2.324 117.479 119.800 0.005 0.000 2.340 617 Q HA 0.478 4.818 4.340 -0.001 0.000 0.249 617 Q C 1.026 177.011 176.000 -0.026 0.000 0.957 617 Q CA 0.456 56.234 55.803 -0.042 0.000 0.882 617 Q CB -0.546 28.156 28.738 -0.061 0.000 1.235 617 Q HN 1.980 nan 8.270 nan 0.000 0.439 618 Y N -0.988 119.289 120.300 -0.038 0.000 4.841 618 Y HA -0.095 4.455 4.550 -0.001 0.000 0.242 618 Y C 2.257 178.147 175.900 -0.017 0.000 1.002 618 Y CA 1.534 59.619 58.100 -0.025 0.000 2.011 618 Y CB -1.906 36.542 38.460 -0.018 0.000 1.554 618 Y HN 2.776 nan 8.280 nan 0.000 0.618 619 G N -2.515 106.275 108.800 -0.016 0.000 2.284 619 G HA2 0.145 4.105 3.960 -0.001 0.000 0.261 619 G HA3 0.145 4.105 3.960 -0.001 0.000 0.261 619 G C 0.596 175.494 174.900 -0.003 0.000 0.997 619 G CA 2.346 47.440 45.100 -0.009 0.000 0.621 619 G HN 2.513 nan 8.290 nan 0.000 0.534 620 E N -1.305 118.894 120.200 -0.002 0.000 2.933 620 E HA 1.005 5.354 4.350 -0.001 0.000 0.301 620 E C 1.170 177.775 176.600 0.008 0.000 0.836 620 E CA 2.326 58.727 56.400 0.002 0.000 1.213 620 E CB -0.356 29.344 29.700 -0.000 0.000 2.349 620 E HN 2.370 nan 8.360 nan 0.000 0.558 621 L N -2.762 118.467 121.223 0.010 0.000 3.075 621 L HA 0.867 5.206 4.340 -0.001 0.000 0.274 621 L C -0.565 176.318 176.870 0.021 0.000 1.006 621 L CA -0.290 54.561 54.840 0.019 0.000 0.972 621 L CB 0.700 42.768 42.059 0.016 0.000 1.515 621 L HN 1.915 nan 8.230 nan 0.000 0.402 622 V N 0.062 119.995 119.914 0.031 0.000 3.023 622 V HA 0.831 4.950 4.120 -0.001 0.000 0.294 622 V C -0.478 175.634 176.094 0.031 0.000 1.324 622 V CA -0.956 61.363 62.300 0.031 0.000 0.979 622 V CB 2.176 34.025 31.823 0.043 0.000 1.093 622 V HN 1.096 nan 8.190 nan 0.000 0.434 623 R N 5.498 126.007 120.500 0.016 0.000 2.522 623 R HA 0.558 4.898 4.340 -0.001 0.000 0.290 623 R C -2.394 173.910 176.300 0.006 0.000 1.216 623 R CA -1.255 54.849 56.100 0.006 0.000 1.250 623 R CB 0.496 30.792 30.300 -0.005 0.000 1.143 623 R HN 0.773 nan 8.270 nan 0.000 0.553 624 P HA 0.141 nan 4.420 nan 0.000 0.278 624 P C -0.691 176.604 177.300 -0.009 0.000 1.238 624 P CA -0.273 62.836 63.100 0.014 0.000 0.794 624 P CB 1.215 32.930 31.700 0.025 0.000 0.955 625 E N 2.773 122.966 120.200 -0.012 0.000 2.191 625 E HA 0.301 4.651 4.350 -0.001 0.000 0.278 625 E C -2.102 174.487 176.600 -0.018 0.000 0.972 625 E CA -2.147 54.238 56.400 -0.025 0.000 0.804 625 E CB 1.018 30.698 29.700 -0.034 0.000 1.110 625 E HN 0.391 nan 8.360 nan 0.000 0.394 626 P HA -0.110 nan 4.420 nan 0.000 0.264 626 P C -0.276 177.028 177.300 0.006 0.000 1.173 626 P CA 0.279 63.405 63.100 0.043 0.000 0.761 626 P CB 0.383 32.146 31.700 0.104 0.000 0.794 627 S N 2.351 118.065 115.700 0.024 0.000 2.629 627 S HA -0.065 4.404 4.470 -0.001 0.000 0.302 627 S C 1.861 176.407 174.600 -0.090 0.000 1.244 627 S CA -0.172 57.981 58.200 -0.079 0.000 1.098 627 S CB -0.154 63.097 63.200 0.083 0.000 0.858 627 S HN 0.496 nan 8.310 nan 0.000 0.502 628 R N 2.991 123.351 120.500 -0.234 0.000 2.174 628 R HA -0.222 4.118 4.340 -0.001 0.000 0.253 628 R C 1.025 177.364 176.300 0.064 0.000 1.165 628 R CA 2.000 58.034 56.100 -0.110 0.000 0.984 628 R CB -0.710 29.492 30.300 -0.163 0.000 0.873 628 R HN 0.526 nan 8.270 nan 0.000 0.456 629 F N 1.344 121.327 119.950 0.055 0.000 2.063 629 F HA -0.230 4.296 4.527 -0.001 0.000 0.298 629 F C 2.334 178.137 175.800 0.004 0.000 1.105 629 F CA 0.674 58.705 58.000 0.052 0.000 1.215 629 F CB -1.264 37.797 39.000 0.102 0.000 0.972 629 F HN 0.026 nan 8.300 nan 0.000 0.483 630 L N 0.160 121.496 121.223 0.189 0.000 2.089 630 L HA -0.227 4.113 4.340 -0.001 0.000 0.213 630 L C 2.077 178.957 176.870 0.016 0.000 1.079 630 L CA 1.804 56.623 54.840 -0.034 0.000 0.758 630 L CB -1.238 40.861 42.059 0.066 0.000 0.891 630 L HN 0.203 nan 8.230 nan 0.000 0.433 631 L N -1.567 119.709 121.223 0.089 0.000 2.446 631 L HA -0.046 4.293 4.340 -0.001 0.000 0.219 631 L C 2.021 178.929 176.870 0.064 0.000 1.116 631 L CA 0.206 55.096 54.840 0.084 0.000 0.844 631 L CB -0.260 41.834 42.059 0.059 0.000 0.970 631 L HN 0.237 nan 8.230 nan 0.000 0.457 632 E N 0.297 120.546 120.200 0.081 0.000 2.435 632 E HA 0.059 4.408 4.350 -0.001 0.000 0.195 632 E C 0.483 177.105 176.600 0.036 0.000 1.029 632 E CA 0.012 56.454 56.400 0.070 0.000 0.865 632 E CB 0.236 30.004 29.700 0.113 0.000 0.833 632 E HN 0.386 nan 8.360 nan 0.000 0.510 633 L N 3.005 124.236 121.223 0.015 0.000 2.452 633 L HA 0.141 4.481 4.340 -0.001 0.000 0.267 633 L C -1.896 174.968 176.870 -0.010 0.000 1.188 633 L CA -2.020 52.806 54.840 -0.023 0.000 0.821 633 L CB 0.025 42.018 42.059 -0.110 0.000 1.102 633 L HN -0.113 nan 8.230 nan 0.000 0.470 634 P HA -0.047 nan 4.420 nan 0.000 0.260 634 P C -0.331 176.980 177.300 0.018 0.000 1.207 634 P CA -0.127 62.981 63.100 0.014 0.000 0.780 634 P CB 0.769 32.481 31.700 0.019 0.000 0.789 635 Q N 2.669 122.492 119.800 0.040 0.000 2.096 635 Q HA -0.202 4.137 4.340 -0.001 0.000 0.204 635 Q C 1.554 177.591 176.000 0.062 0.000 0.982 635 Q CA 1.734 57.577 55.803 0.066 0.000 0.850 635 Q CB -0.975 27.810 28.738 0.078 0.000 0.901 635 Q HN 0.538 nan 8.270 nan 0.000 0.422 636 D N 1.142 121.576 120.400 0.057 0.000 2.127 636 D HA -0.199 4.441 4.640 -0.001 0.000 0.190 636 D C 1.148 177.487 176.300 0.064 0.000 1.000 636 D CA 1.713 55.751 54.000 0.062 0.000 0.839 636 D CB -0.183 40.658 40.800 0.069 0.000 0.955 636 D HN 0.220 nan 8.370 nan 0.000 0.446 637 D N -1.298 119.140 120.400 0.063 0.000 2.355 637 D HA 0.074 4.714 4.640 -0.001 0.000 0.218 637 D C 0.326 176.625 176.300 -0.002 0.000 1.004 637 D CA -0.041 53.992 54.000 0.055 0.000 0.880 637 D CB 0.106 40.939 40.800 0.055 0.000 0.911 637 D HN 0.250 nan 8.370 nan 0.000 0.528 638 L N -0.082 121.123 121.223 -0.031 0.000 2.357 638 L HA 0.375 4.715 4.340 -0.001 0.000 0.273 638 L C -0.739 176.049 176.870 -0.137 0.000 1.080 638 L CA -0.563 54.199 54.840 -0.131 0.000 0.803 638 L CB 0.778 42.737 42.059 -0.166 0.000 1.174 638 L HN -0.247 nan 8.230 nan 0.000 0.443 639 I N 2.322 122.708 120.570 -0.306 0.000 3.264 639 I HA 0.595 4.764 4.170 -0.001 0.000 0.309 639 I C -0.654 175.090 176.117 -0.623 0.000 1.099 639 I CA -0.751 60.405 61.300 -0.240 0.000 0.989 639 I CB 1.755 39.693 38.000 -0.103 0.000 1.250 639 I HN 0.821 nan 8.210 nan 0.000 0.478 640 W N 0.000 121.308 121.300 0.013 0.000 2.388 640 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 640 W CA 0.000 57.352 57.345 0.013 0.000 1.226 640 W CB 0.000 29.460 29.460 -0.001 0.000 1.126 640 W HN 0.000 nan 8.180 nan 0.000 0.535