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 1akn_1_A DATA FIRST_RESID 1 DATA SEQUENCE AKLGSVYTEG GFVEGVNKKL SLFGDSIDIF KGIPFAAAPK ALEKPERHPG DATA SEQUENCE WQGTLKAKSF KKRcLQATLT QDSTYGNEDc LYLNIWVPQG RKEVSHDLPV DATA SEQUENCE MIWIYGGAFL MGASQGANFL SNYLYDGEEI ATRGNVIVVT FNYRVGPLGF DATA SEQUENCE LSTGDSNLPG NYGLWDQHMA IAWVKRNIEA FGGDPDNITL FGESAGGASV DATA SEQUENCE SLQTLSPYNK GLIKRAISQS GVGLCPWAIQ QDPLFWAKRI AEKVGcPVDD DATA SEQUENCE TSKMAGcLKI TDPRALTLAY KLPLGSTEYP KLHYLSFVPV IDGDFIPDDP DATA SEQUENCE VNLYANAADV DYIAGTNDMD GHLFVGMDVP AINSNKQDVT EEDFYKLVSG DATA SEQUENCE LTVTKGLRGA NATYEVYTEP WAQDSSQETR KKTMVDLETD ILFLIPTKIA DATA SEQUENCE VAQHKSHAKS ANTYTYLFSQ PSRMPIYPKW MGADHADDLQ YVFGKPFATP DATA SEQUENCE LGYRAQDRTV SKAMIAYWTN FARTGDPNTG HSTVPANWDP YTLEDDNYLE DATA SEQUENCE INKQMDSNSM KLHLRTNYLQ FWTQTYQALP TVTSAGASLL PPEDNSQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.622 177.584 0.063 0.000 1.274 1 A CA 0.000 52.074 52.037 0.061 0.000 0.836 1 A CB 0.000 19.043 19.000 0.072 0.000 0.831 2 K N -0.103 120.336 120.400 0.066 0.000 2.468 2 K HA 0.560 4.880 4.320 -0.000 0.000 0.252 2 K C -0.347 176.311 176.600 0.098 0.000 0.932 2 K CA -0.784 55.544 56.287 0.067 0.000 0.794 2 K CB 1.807 34.332 32.500 0.041 0.000 1.241 2 K HN 0.548 nan 8.250 nan 0.000 0.428 3 L N 2.993 124.300 121.223 0.140 0.000 2.044 3 L HA 0.135 4.475 4.340 -0.000 0.000 0.205 3 L C 1.120 178.094 176.870 0.174 0.000 1.075 3 L CA 2.619 57.578 54.840 0.198 0.000 0.747 3 L CB -0.733 41.546 42.059 0.367 0.000 0.903 3 L HN 1.129 nan 8.230 nan 0.000 0.435 4 G N -1.585 107.311 108.800 0.160 0.000 2.498 4 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.245 4 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.245 4 G C -0.151 174.875 174.900 0.210 0.000 1.204 4 G CA -0.081 45.097 45.100 0.131 0.000 0.933 4 G HN 0.344 nan 8.290 nan 0.000 0.574 5 S N 0.685 116.490 115.700 0.175 0.000 2.465 5 S HA 0.531 5.000 4.470 -0.000 0.000 0.279 5 S C 0.507 175.281 174.600 0.289 0.000 1.201 5 S CA 0.119 58.467 58.200 0.247 0.000 1.053 5 S CB 1.032 64.314 63.200 0.137 0.000 0.953 5 S HN 1.731 nan 8.310 nan 0.000 0.488 6 V N 2.548 122.620 119.914 0.264 0.000 2.532 6 V HA 0.589 4.709 4.120 -0.000 0.000 0.295 6 V C -0.921 175.273 176.094 0.166 0.000 1.041 6 V CA -0.937 61.395 62.300 0.053 0.000 0.926 6 V CB 0.894 32.440 31.823 -0.462 0.000 0.992 6 V HN 0.728 nan 8.190 nan 0.000 0.457 7 Y N 4.409 124.654 120.300 -0.091 0.000 2.341 7 Y HA 0.666 5.216 4.550 -0.000 0.000 0.340 7 Y C 0.595 176.333 175.900 -0.269 0.000 0.997 7 Y CA -0.022 57.881 58.100 -0.328 0.000 1.149 7 Y CB 1.078 39.260 38.460 -0.462 0.000 1.171 7 Y HN 1.111 nan 8.280 nan 0.000 0.494 8 T N 0.795 114.987 114.554 -0.605 0.000 2.940 8 T HA 0.237 4.587 4.350 -0.000 0.000 0.288 8 T C 1.014 175.292 174.700 -0.702 0.000 1.045 8 T CA -0.233 61.594 62.100 -0.455 0.000 1.018 8 T CB 1.375 70.251 68.868 0.015 0.000 1.151 8 T HN 0.736 nan 8.240 nan 0.000 0.529 9 E N 0.473 120.390 120.200 -0.472 0.000 2.208 9 E HA -0.176 4.174 4.350 -0.000 0.000 0.202 9 E C 1.796 178.115 176.600 -0.468 0.000 1.014 9 E CA 1.812 57.964 56.400 -0.415 0.000 0.819 9 E CB -0.970 28.577 29.700 -0.255 0.000 0.735 9 E HN 0.821 nan 8.360 nan 0.000 0.469 10 G N 0.095 108.585 108.800 -0.516 0.000 2.603 10 G HA2 0.386 4.345 3.960 -0.000 0.000 0.214 10 G HA3 0.386 4.345 3.960 -0.000 0.000 0.214 10 G C 0.595 174.648 174.900 -1.411 0.000 1.140 10 G CA 0.306 44.892 45.100 -0.856 0.000 0.800 10 G HN 0.696 nan 8.290 nan 0.000 0.533 11 G N -1.296 106.769 108.800 -1.225 0.000 2.352 11 G HA2 0.291 4.251 3.960 -0.000 0.000 0.283 11 G HA3 0.291 4.251 3.960 -0.000 0.000 0.283 11 G C -1.320 173.474 174.900 -0.178 0.000 1.308 11 G CA -1.151 43.448 45.100 -0.836 0.000 0.892 11 G HN 0.053 nan 8.290 nan 0.000 0.504 12 F N -0.170 120.070 119.950 0.484 0.000 2.429 12 F HA 0.627 5.154 4.527 -0.000 0.000 0.348 12 F C 0.880 177.024 175.800 0.575 0.000 1.109 12 F CA -0.188 58.113 58.000 0.502 0.000 1.232 12 F CB 1.760 40.992 39.000 0.388 0.000 1.157 12 F HN 0.248 nan 8.300 nan 0.000 0.564 13 V N 2.568 122.846 119.914 0.607 0.000 2.789 13 V HA 0.427 4.547 4.120 -0.000 0.000 0.311 13 V C -1.005 175.354 176.094 0.441 0.000 1.073 13 V CA -0.711 61.860 62.300 0.453 0.000 0.921 13 V CB 2.173 34.261 31.823 0.441 0.000 1.009 13 V HN 0.793 nan 8.190 nan 0.000 0.426 14 E N 2.314 122.736 120.200 0.371 0.000 2.263 14 E HA 0.700 5.049 4.350 -0.000 0.000 0.268 14 E C -0.373 176.341 176.600 0.190 0.000 0.884 14 E CA -0.296 56.290 56.400 0.310 0.000 0.766 14 E CB 2.135 31.928 29.700 0.156 0.000 1.196 14 E HN 0.827 nan 8.360 nan 0.000 0.416 15 G N 1.469 110.243 108.800 -0.044 0.000 3.209 15 G HA2 0.622 4.581 3.960 -0.000 0.000 0.236 15 G HA3 0.622 4.581 3.960 -0.000 0.000 0.236 15 G C -0.562 174.124 174.900 -0.356 0.000 1.329 15 G CA -0.275 44.602 45.100 -0.371 0.000 1.015 15 G HN 0.526 nan 8.290 nan 0.000 0.571 16 V N -1.655 118.028 119.914 -0.385 0.000 2.667 16 V HA 0.721 4.840 4.120 -0.000 0.000 0.308 16 V C -0.720 175.225 176.094 -0.249 0.000 1.048 16 V CA -1.259 60.890 62.300 -0.251 0.000 0.928 16 V CB 1.668 33.379 31.823 -0.187 0.000 1.004 16 V HN 0.564 nan 8.190 nan 0.000 0.444 17 N N 2.737 121.346 118.700 -0.153 0.000 2.469 17 N HA 0.321 5.061 4.740 -0.000 0.000 0.253 17 N C -0.696 174.776 175.510 -0.063 0.000 0.970 17 N CA -0.346 52.643 53.050 -0.102 0.000 0.940 17 N CB 1.331 39.781 38.487 -0.062 0.000 1.128 17 N HN 0.935 nan 8.380 nan 0.000 0.503 18 K N 3.038 123.412 120.400 -0.043 0.000 2.234 18 K HA 0.228 4.547 4.320 -0.000 0.000 0.277 18 K C -0.500 176.099 176.600 -0.001 0.000 1.038 18 K CA -0.680 55.597 56.287 -0.018 0.000 0.888 18 K CB 0.518 33.020 32.500 0.004 0.000 1.091 18 K HN 0.310 nan 8.250 nan 0.000 0.467 19 K N 4.660 125.055 120.400 -0.008 0.000 2.298 19 K HA 0.143 4.462 4.320 -0.000 0.000 0.280 19 K C 0.461 177.060 176.600 -0.003 0.000 1.032 19 K CA -0.018 56.266 56.287 -0.006 0.000 0.958 19 K CB 0.939 33.426 32.500 -0.021 0.000 0.978 19 K HN 0.686 nan 8.250 nan 0.000 0.472 20 L N 1.123 122.350 121.223 0.006 0.000 2.858 20 L HA 0.076 4.416 4.340 -0.000 0.000 0.251 20 L C 0.392 177.262 176.870 0.001 0.000 1.149 20 L CA -0.149 54.697 54.840 0.011 0.000 0.955 20 L CB 0.457 42.534 42.059 0.030 0.000 1.289 20 L HN 0.689 nan 8.230 nan 0.000 0.542 21 S N -1.644 114.038 115.700 -0.029 0.000 2.643 21 S HA 0.325 4.795 4.470 -0.000 0.000 0.266 21 S C -0.286 174.175 174.600 -0.231 0.000 1.130 21 S CA -0.790 57.357 58.200 -0.088 0.000 0.817 21 S CB 0.623 63.849 63.200 0.045 0.000 1.107 21 S HN -0.003 nan 8.310 nan 0.000 0.471 22 L N 0.661 121.548 121.223 -0.560 0.000 2.645 22 L HA 0.338 4.677 4.340 -0.000 0.000 0.234 22 L C -0.353 176.009 176.870 -0.846 0.000 1.165 22 L CA 0.351 54.773 54.840 -0.698 0.000 0.944 22 L CB -0.824 40.760 42.059 -0.792 0.000 1.149 22 L HN 0.601 nan 8.230 nan 0.000 0.446 23 F N -1.134 118.819 119.950 0.006 0.000 2.814 23 F HA 0.435 4.962 4.527 -0.000 0.000 0.326 23 F C 1.485 177.291 175.800 0.011 0.000 1.159 23 F CA -0.164 57.841 58.000 0.008 0.000 1.234 23 F CB 0.323 39.327 39.000 0.007 0.000 1.016 23 F HN 0.039 nan 8.300 nan 0.000 0.510 24 G N -0.507 108.347 108.800 0.091 0.000 2.320 24 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.242 24 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.242 24 G C -0.030 174.913 174.900 0.070 0.000 1.033 24 G CA -0.096 45.048 45.100 0.074 0.000 0.620 24 G HN 0.266 nan 8.290 nan 0.000 0.517 25 D N 1.916 122.373 120.400 0.095 0.000 2.502 25 D HA 0.444 5.084 4.640 -0.000 0.000 0.249 25 D C 0.933 177.265 176.300 0.053 0.000 1.188 25 D CA 1.383 55.431 54.000 0.080 0.000 0.890 25 D CB 1.065 41.924 40.800 0.099 0.000 1.140 25 D HN 0.855 nan 8.370 nan 0.000 0.505 26 S N 1.770 117.502 115.700 0.053 0.000 2.851 26 S HA 0.773 5.243 4.470 -0.000 0.000 0.313 26 S C -0.531 174.105 174.600 0.061 0.000 1.163 26 S CA -1.027 57.199 58.200 0.044 0.000 0.850 26 S CB 1.975 65.194 63.200 0.032 0.000 1.245 26 S HN 0.443 nan 8.310 nan 0.000 0.558 27 I N 0.819 121.424 120.570 0.058 0.000 2.611 27 I HA 0.336 4.505 4.170 -0.000 0.000 0.287 27 I C -1.919 174.224 176.117 0.043 0.000 1.184 27 I CA -0.436 60.918 61.300 0.090 0.000 1.054 27 I CB 1.618 39.704 38.000 0.144 0.000 1.257 27 I HN 0.673 nan 8.210 nan 0.000 0.435 28 D N 8.590 129.016 120.400 0.045 0.000 2.351 28 D HA 0.431 5.071 4.640 -0.000 0.000 0.251 28 D C -0.410 175.783 176.300 -0.178 0.000 1.137 28 D CA 0.449 54.390 54.000 -0.098 0.000 0.879 28 D CB 1.872 42.675 40.800 0.005 0.000 1.181 28 D HN 0.388 nan 8.370 nan 0.000 0.448 29 I N 3.013 123.325 120.570 -0.431 0.000 2.476 29 I HA 0.226 4.396 4.170 -0.000 0.000 0.281 29 I C -0.743 174.997 176.117 -0.629 0.000 1.040 29 I CA -0.707 60.277 61.300 -0.527 0.000 1.094 29 I CB 0.754 38.467 38.000 -0.479 0.000 1.219 29 I HN 0.050 nan 8.210 nan 0.000 0.450 30 F N 5.050 124.796 119.950 -0.340 0.000 2.421 30 F HA 0.598 5.124 4.527 -0.000 0.000 0.337 30 F C 0.276 175.830 175.800 -0.410 0.000 1.105 30 F CA -0.622 57.231 58.000 -0.244 0.000 1.049 30 F CB 1.363 40.334 39.000 -0.048 0.000 1.139 30 F HN 0.208 nan 8.300 nan 0.000 0.479 31 K N 0.823 121.092 120.400 -0.218 0.000 2.501 31 K HA 0.583 4.903 4.320 -0.000 0.000 0.252 31 K C 0.097 176.574 176.600 -0.206 0.000 0.934 31 K CA -0.719 55.360 56.287 -0.348 0.000 0.797 31 K CB 2.167 34.251 32.500 -0.693 0.000 1.270 31 K HN 0.810 nan 8.250 nan 0.000 0.431 32 G N 2.129 110.865 108.800 -0.107 0.000 2.130 32 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 32 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 32 G C -0.042 174.881 174.900 0.038 0.000 0.999 32 G CA -0.495 44.546 45.100 -0.099 0.000 0.686 32 G HN 0.513 nan 8.290 nan 0.000 0.515 33 I N 2.451 123.035 120.570 0.024 0.000 2.416 33 I HA 0.264 4.434 4.170 -0.000 0.000 0.288 33 I C -1.636 174.423 176.117 -0.097 0.000 1.051 33 I CA -2.056 59.197 61.300 -0.078 0.000 1.375 33 I CB 1.150 39.039 38.000 -0.185 0.000 1.407 33 I HN -0.056 nan 8.210 nan 0.000 0.516 34 P HA 0.093 nan 4.420 nan 0.000 0.287 34 P C -0.056 176.979 177.300 -0.441 0.000 1.294 34 P CA -0.278 62.519 63.100 -0.506 0.000 0.776 34 P CB 0.616 31.993 31.700 -0.538 0.000 0.889 35 F N 1.899 121.604 119.950 -0.408 0.000 2.754 35 F HA 0.624 5.151 4.527 -0.001 0.000 0.297 35 F C 0.370 176.149 175.800 -0.036 0.000 1.122 35 F CA -0.704 57.093 58.000 -0.339 0.000 1.400 35 F CB -0.155 38.632 39.000 -0.355 0.000 1.117 35 F HN 0.324 nan 8.300 nan 0.000 0.587 36 A N 0.353 123.050 122.820 -0.204 0.000 2.583 36 A HA 0.854 5.173 4.320 -0.000 0.000 0.289 36 A C -0.992 176.579 177.584 -0.022 0.000 1.151 36 A CA -0.655 51.374 52.037 -0.013 0.000 0.695 36 A CB 0.353 19.351 19.000 -0.003 0.000 1.290 36 A HN 0.496 nan 8.150 nan 0.000 0.419 37 A N 0.050 122.856 122.820 -0.024 0.000 2.302 37 A HA 0.692 5.012 4.320 -0.000 0.000 0.285 37 A C 0.728 178.256 177.584 -0.093 0.000 1.105 37 A CA 0.132 52.117 52.037 -0.086 0.000 0.816 37 A CB 0.039 18.954 19.000 -0.142 0.000 1.067 37 A HN 2.463 nan 8.150 nan 0.000 0.489 38 A N 3.396 126.169 122.820 -0.078 0.000 2.550 38 A HA 0.414 4.734 4.320 -0.000 0.000 0.263 38 A C -1.693 175.856 177.584 -0.058 0.000 1.065 38 A CA -0.451 51.548 52.037 -0.063 0.000 0.786 38 A CB -0.901 18.086 19.000 -0.021 0.000 0.985 38 A HN 0.631 nan 8.150 nan 0.000 0.518 39 P HA 0.177 nan 4.420 nan 0.000 0.271 39 P C -0.513 176.749 177.300 -0.063 0.000 1.216 39 P CA -0.233 62.836 63.100 -0.053 0.000 0.776 39 P CB 0.741 32.420 31.700 -0.036 0.000 0.881 40 K N 1.455 121.807 120.400 -0.081 0.000 2.144 40 K HA 0.441 4.761 4.320 -0.000 0.000 0.270 40 K C 0.222 176.741 176.600 -0.134 0.000 1.005 40 K CA -0.651 55.583 56.287 -0.089 0.000 0.932 40 K CB 0.997 33.448 32.500 -0.083 0.000 1.021 40 K HN 0.587 nan 8.250 nan 0.000 0.462 41 A N 3.249 125.997 122.820 -0.119 0.000 2.598 41 A HA -0.006 4.314 4.320 -0.000 0.000 0.239 41 A C 0.651 178.084 177.584 -0.251 0.000 1.032 41 A CA 0.276 52.221 52.037 -0.152 0.000 0.760 41 A CB -0.757 18.181 19.000 -0.103 0.000 0.946 41 A HN 0.885 nan 8.150 nan 0.000 0.512 42 L N 0.006 120.996 121.223 -0.389 0.000 3.781 42 L HA -0.207 4.133 4.340 -0.000 0.000 0.426 42 L C -0.016 176.323 176.870 -0.885 0.000 1.197 42 L CA 0.688 55.099 54.840 -0.715 0.000 0.907 42 L CB -1.730 40.114 42.059 -0.358 0.000 1.812 42 L HN 0.746 nan 8.230 nan 0.000 0.956 43 E N 0.148 119.940 120.200 -0.680 0.000 2.293 43 E HA 0.461 4.810 4.350 -0.000 0.000 0.270 43 E C -0.186 176.312 176.600 -0.171 0.000 0.879 43 E CA -0.904 55.287 56.400 -0.348 0.000 0.756 43 E CB 1.874 31.466 29.700 -0.180 0.000 1.208 43 E HN 0.097 nan 8.360 nan 0.000 0.428 44 K N 2.258 122.659 120.400 0.001 0.000 2.440 44 K HA 0.132 4.451 4.320 -0.000 0.000 0.270 44 K C -1.968 174.597 176.600 -0.058 0.000 0.980 44 K CA -0.883 55.375 56.287 -0.048 0.000 0.953 44 K CB -0.025 32.259 32.500 -0.361 0.000 0.925 44 K HN 0.234 nan 8.250 nan 0.000 0.497 45 P HA 0.146 nan 4.420 nan 0.000 0.282 45 P C -0.913 176.399 177.300 0.020 0.000 1.249 45 P CA -0.199 62.920 63.100 0.032 0.000 0.806 45 P CB 1.114 32.889 31.700 0.126 0.000 0.984 46 E N 1.195 121.404 120.200 0.015 0.000 2.249 46 E HA 0.319 4.668 4.350 -0.000 0.000 0.263 46 E C 0.076 176.709 176.600 0.055 0.000 0.950 46 E CA -1.057 55.355 56.400 0.019 0.000 0.827 46 E CB 1.936 31.627 29.700 -0.014 0.000 1.220 46 E HN 0.407 nan 8.360 nan 0.000 0.411 47 R N 0.912 121.455 120.500 0.072 0.000 2.594 47 R HA 0.033 4.373 4.340 -0.000 0.000 0.272 47 R C -0.285 176.076 176.300 0.102 0.000 1.074 47 R CA -0.192 55.980 56.100 0.119 0.000 1.105 47 R CB 0.313 30.681 30.300 0.114 0.000 1.008 47 R HN 0.520 nan 8.270 nan 0.000 0.472 48 H N 4.565 123.682 119.070 0.079 0.000 2.803 48 H HA 0.103 4.659 4.556 -0.000 0.000 0.330 48 H C -1.268 174.096 175.328 0.060 0.000 1.057 48 H CA -1.126 54.962 56.048 0.066 0.000 1.458 48 H CB 1.300 31.121 29.762 0.099 0.000 1.470 48 H HN 0.465 nan 8.280 nan 0.000 0.560 49 P HA 0.066 nan 4.420 nan 0.000 0.223 49 P C 0.218 177.555 177.300 0.061 0.000 1.151 49 P CA 1.341 64.425 63.100 -0.026 0.000 0.787 49 P CB 0.452 32.091 31.700 -0.100 0.000 0.788 50 G N -0.140 108.832 108.800 0.287 0.000 2.384 50 G HA2 0.173 4.132 3.960 -0.000 0.000 0.668 50 G HA3 0.173 4.132 3.960 -0.000 0.000 0.668 50 G C -2.039 173.016 174.900 0.259 0.000 1.280 50 G CA -0.567 44.569 45.100 0.060 0.000 0.992 50 G HN 0.344 nan 8.290 nan 0.000 0.512 51 W N -1.789 119.611 121.300 0.167 0.000 3.248 51 W HA 0.792 5.452 4.660 -0.000 0.000 0.311 51 W C -0.869 175.732 176.519 0.137 0.000 1.258 51 W CA -1.232 56.205 57.345 0.153 0.000 1.191 51 W CB 0.983 30.534 29.460 0.152 0.000 1.389 51 W HN 0.585 nan 8.180 nan 0.000 0.561 52 Q N 2.005 122.031 119.800 0.378 0.000 2.243 52 Q HA 0.569 4.908 4.340 -0.000 0.000 0.252 52 Q C 0.683 176.935 176.000 0.421 0.000 0.909 52 Q CA 1.181 57.160 55.803 0.294 0.000 0.922 52 Q CB 1.275 30.131 28.738 0.196 0.000 1.215 52 Q HN 1.097 nan 8.270 nan 0.000 0.427 53 G N 2.405 111.448 108.800 0.405 0.000 2.512 53 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.240 53 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.240 53 G C -0.658 174.589 174.900 0.578 0.000 1.246 53 G CA -0.228 45.117 45.100 0.408 0.000 0.919 53 G HN 0.599 nan 8.290 nan 0.000 0.577 54 T N 0.543 115.323 114.554 0.377 0.000 2.859 54 T HA 0.602 4.952 4.350 -0.000 0.000 0.281 54 T C -0.355 174.426 174.700 0.135 0.000 1.005 54 T CA -0.176 62.135 62.100 0.352 0.000 1.025 54 T CB 1.874 70.857 68.868 0.192 0.000 0.977 54 T HN 0.868 nan 8.240 nan 0.000 0.458 55 L N 2.899 124.144 121.223 0.036 0.000 2.296 55 L HA 0.471 4.810 4.340 -0.000 0.000 0.286 55 L C -0.254 176.566 176.870 -0.084 0.000 1.023 55 L CA -0.356 54.320 54.840 -0.273 0.000 0.812 55 L CB 0.855 42.459 42.059 -0.759 0.000 1.223 55 L HN 0.488 nan 8.230 nan 0.000 0.421 56 K N 4.977 125.319 120.400 -0.096 0.000 2.184 56 K HA 0.441 4.761 4.320 -0.000 0.000 0.259 56 K C -0.145 176.404 176.600 -0.085 0.000 1.119 56 K CA -0.198 56.057 56.287 -0.053 0.000 0.991 56 K CB 0.723 33.191 32.500 -0.053 0.000 1.522 56 K HN 0.679 nan 8.250 nan 0.000 0.405 57 A N 3.690 126.486 122.820 -0.039 0.000 2.990 57 A HA 0.072 4.392 4.320 -0.000 0.000 0.282 57 A C 0.328 177.842 177.584 -0.117 0.000 1.688 57 A CA -0.004 51.996 52.037 -0.061 0.000 1.391 57 A CB -0.199 18.843 19.000 0.069 0.000 1.112 57 A HN 0.694 nan 8.150 nan 0.000 0.588 58 K N 0.527 120.831 120.400 -0.160 0.000 2.438 58 K HA 0.160 4.479 4.320 -0.000 0.000 0.206 58 K C -0.271 176.189 176.600 -0.233 0.000 1.081 58 K CA 0.513 56.683 56.287 -0.194 0.000 1.053 58 K CB 0.574 32.989 32.500 -0.142 0.000 0.908 58 K HN 0.699 nan 8.250 nan 0.000 0.556 59 S N -0.428 115.116 115.700 -0.259 0.000 2.543 59 S HA 0.418 4.887 4.470 -0.000 0.000 0.274 59 S C -0.612 173.837 174.600 -0.251 0.000 1.149 59 S CA -1.015 57.029 58.200 -0.260 0.000 0.866 59 S CB 0.383 63.507 63.200 -0.126 0.000 1.111 59 S HN -0.000 nan 8.310 nan 0.000 0.457 60 F N 2.595 122.490 119.950 -0.090 0.000 2.607 60 F HA 0.291 4.818 4.527 -0.000 0.000 0.374 60 F C 1.506 177.221 175.800 -0.142 0.000 1.104 60 F CA 0.279 58.230 58.000 -0.081 0.000 1.296 60 F CB 0.512 39.491 39.000 -0.034 0.000 1.085 60 F HN 0.433 nan 8.300 nan 0.000 0.584 61 K N 2.474 122.857 120.400 -0.027 0.000 2.399 61 K HA 0.278 4.598 4.320 -0.000 0.000 0.247 61 K C 0.017 176.583 176.600 -0.055 0.000 1.036 61 K CA -0.887 55.263 56.287 -0.229 0.000 0.977 61 K CB 0.440 32.434 32.500 -0.843 0.000 1.272 61 K HN 0.387 nan 8.250 nan 0.000 0.501 62 K N 2.743 123.108 120.400 -0.058 0.000 2.489 62 K HA -0.046 4.274 4.320 -0.000 0.000 0.278 62 K C 0.780 177.423 176.600 0.072 0.000 1.000 62 K CA 0.286 56.586 56.287 0.021 0.000 1.012 62 K CB 0.182 32.706 32.500 0.040 0.000 0.903 62 K HN 0.594 nan 8.250 nan 0.000 0.485 63 R N 0.957 121.476 120.500 0.032 0.000 2.738 63 R HA 0.186 4.526 4.340 -0.000 0.000 0.275 63 R C -0.362 175.979 176.300 0.069 0.000 1.121 63 R CA -0.575 55.539 56.100 0.023 0.000 1.207 63 R CB 0.221 30.462 30.300 -0.098 0.000 1.141 63 R HN 0.443 nan 8.270 nan 0.000 0.571 64 c N 1.214 119.861 118.600 0.078 0.000 2.652 64 c HA 0.157 4.727 4.570 -0.000 0.000 0.412 64 c C 1.094 175.239 174.090 0.092 0.000 1.294 64 c CA -0.618 55.768 56.329 0.095 0.000 2.127 64 c CB -0.282 42.294 42.510 0.110 0.000 2.691 64 c HN 0.667 nan 8.230 nan 0.000 0.615 65 L N 3.807 125.082 121.223 0.086 0.000 2.601 65 L HA 0.092 4.431 4.340 -0.000 0.000 0.277 65 L C 0.415 177.345 176.870 0.099 0.000 1.219 65 L CA 0.971 55.862 54.840 0.085 0.000 0.915 65 L CB -0.101 41.991 42.059 0.055 0.000 1.160 65 L HN 0.901 nan 8.230 nan 0.000 0.494 66 Q N 4.034 123.908 119.800 0.124 0.000 2.685 66 Q HA 0.730 5.070 4.340 -0.000 0.000 0.301 66 Q C -1.670 174.384 176.000 0.091 0.000 0.924 66 Q CA -1.084 54.799 55.803 0.133 0.000 0.755 66 Q CB 1.512 30.356 28.738 0.176 0.000 1.470 66 Q HN 0.552 nan 8.270 nan 0.000 0.434 67 A N 0.505 123.360 122.820 0.058 0.000 2.293 67 A HA 0.591 4.911 4.320 -0.000 0.000 0.302 67 A C 0.364 177.874 177.584 -0.124 0.000 1.119 67 A CA 0.032 52.039 52.037 -0.050 0.000 0.823 67 A CB 1.036 20.011 19.000 -0.042 0.000 1.097 67 A HN 0.742 nan 8.150 nan 0.000 0.491 68 T N 0.598 114.952 114.554 -0.334 0.000 2.995 68 T HA 0.063 4.413 4.350 -0.000 0.000 0.216 68 T C 1.249 175.865 174.700 -0.140 0.000 1.000 68 T CA 1.690 63.497 62.100 -0.488 0.000 2.118 68 T CB -0.328 68.220 68.868 -0.534 0.000 1.401 68 T HN 0.408 nan 8.240 nan 0.000 0.389 69 L N -1.918 119.232 121.223 -0.121 0.000 2.815 69 L HA 0.313 4.653 4.340 -0.000 0.000 0.241 69 L C 1.949 178.777 176.870 -0.071 0.000 1.047 69 L CA 0.466 55.267 54.840 -0.066 0.000 0.939 69 L CB 0.615 42.647 42.059 -0.046 0.000 1.490 69 L HN 0.418 nan 8.230 nan 0.000 0.510 70 T N -2.482 112.024 114.554 -0.080 0.000 3.447 70 T HA 0.131 4.481 4.350 -0.000 0.000 0.218 70 T C 1.183 175.843 174.700 -0.067 0.000 0.972 70 T CA 0.293 62.354 62.100 -0.065 0.000 1.264 70 T CB 0.231 69.068 68.868 -0.052 0.000 1.284 70 T HN 0.046 nan 8.240 nan 0.000 0.361 71 Q N 0.571 120.328 119.800 -0.072 0.000 2.010 71 Q HA 0.141 4.481 4.340 -0.000 0.000 0.215 71 Q C -0.359 175.590 176.000 -0.084 0.000 0.984 71 Q CA 0.226 55.990 55.803 -0.064 0.000 0.853 71 Q CB -0.477 28.229 28.738 -0.052 0.000 0.922 71 Q HN 0.450 nan 8.270 nan 0.000 0.478 72 D N 2.219 122.556 120.400 -0.104 0.000 5.802 72 D HA -0.105 4.535 4.640 -0.000 0.000 0.186 72 D C -0.335 175.879 176.300 -0.143 0.000 1.265 72 D CA 0.444 54.365 54.000 -0.132 0.000 0.778 72 D CB -0.036 40.646 40.800 -0.196 0.000 1.376 72 D HN 0.170 nan 8.370 nan 0.000 0.788 73 S N 1.017 116.666 115.700 -0.085 0.000 3.697 73 S HA 0.288 4.758 4.470 -0.000 0.000 0.207 73 S C 0.018 174.584 174.600 -0.057 0.000 1.459 73 S CA -0.750 57.416 58.200 -0.057 0.000 1.122 73 S CB 0.134 63.323 63.200 -0.018 0.000 1.311 73 S HN 0.273 nan 8.310 nan 0.000 0.487 74 T N 1.559 116.037 114.554 -0.126 0.000 2.952 74 T HA 0.568 4.918 4.350 -0.000 0.000 0.305 74 T C -1.070 173.553 174.700 -0.130 0.000 1.064 74 T CA -0.409 61.639 62.100 -0.087 0.000 1.008 74 T CB 1.433 70.252 68.868 -0.082 0.000 1.078 74 T HN 0.305 nan 8.240 nan 0.000 0.459 75 Y N 0.449 120.745 120.300 -0.007 0.000 2.749 75 Y HA 0.412 4.962 4.550 -0.000 0.000 0.314 75 Y C 0.747 176.642 175.900 -0.008 0.000 0.910 75 Y CA 0.376 58.467 58.100 -0.014 0.000 1.004 75 Y CB 0.443 38.890 38.460 -0.021 0.000 1.436 75 Y HN 0.944 nan 8.280 nan 0.000 0.576 76 G N 0.405 109.305 108.800 0.167 0.000 2.510 76 G HA2 0.379 4.338 3.960 -0.000 0.000 0.277 76 G HA3 0.379 4.338 3.960 -0.000 0.000 0.277 76 G C -1.318 173.629 174.900 0.078 0.000 1.223 76 G CA -0.371 44.789 45.100 0.101 0.000 0.887 76 G HN 0.131 nan 8.290 nan 0.000 0.485 77 N N -1.472 117.270 118.700 0.071 0.000 3.157 77 N HA 0.320 5.060 4.740 -0.000 0.000 0.291 77 N C 0.157 175.703 175.510 0.060 0.000 1.515 77 N CA -0.647 52.437 53.050 0.057 0.000 0.807 77 N CB 2.105 40.621 38.487 0.048 0.000 1.672 77 N HN 0.412 nan 8.380 nan 0.000 0.592 78 E N -0.374 119.851 120.200 0.042 0.000 2.153 78 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 78 E C -0.360 176.265 176.600 0.042 0.000 0.988 78 E CA 0.963 57.381 56.400 0.031 0.000 0.811 78 E CB -0.084 29.619 29.700 0.005 0.000 0.746 78 E HN 0.430 nan 8.360 nan 0.000 0.466 79 D N 0.451 120.890 120.400 0.065 0.000 2.455 79 D HA -0.019 4.621 4.640 -0.000 0.000 0.234 79 D C 0.049 176.474 176.300 0.209 0.000 1.224 79 D CA -0.099 53.963 54.000 0.104 0.000 0.999 79 D CB -0.002 40.876 40.800 0.130 0.000 1.072 79 D HN 0.200 nan 8.370 nan 0.000 0.514 80 c N 2.095 120.780 118.600 0.141 0.000 4.015 80 c HA 0.335 4.905 4.570 -0.000 0.000 0.323 80 c C 0.948 175.119 174.090 0.135 0.000 1.724 80 c CA -0.623 55.856 56.329 0.250 0.000 1.828 80 c CB -1.199 41.417 42.510 0.176 0.000 3.083 80 c HN 0.413 nan 8.230 nan 0.000 0.640 81 L N 2.442 123.495 121.223 -0.284 0.000 2.400 81 L HA 0.287 4.627 4.340 -0.000 0.000 0.262 81 L C -0.847 175.312 176.870 -1.184 0.000 1.309 81 L CA 0.731 55.161 54.840 -0.683 0.000 1.186 81 L CB -0.992 40.544 42.059 -0.872 0.000 1.375 81 L HN 0.393 nan 8.230 nan 0.000 0.433 82 Y N 1.692 121.903 120.300 -0.147 0.000 2.536 82 Y HA 0.630 5.180 4.550 -0.000 0.000 0.347 82 Y C -0.003 176.100 175.900 0.338 0.000 1.000 82 Y CA -1.262 56.831 58.100 -0.012 0.000 1.051 82 Y CB 1.995 40.458 38.460 0.004 0.000 1.259 82 Y HN 0.184 nan 8.280 nan 0.000 0.468 83 L N 0.221 121.683 121.223 0.398 0.000 2.309 83 L HA 0.773 5.113 4.340 -0.000 0.000 0.261 83 L C -1.207 175.784 176.870 0.201 0.000 1.021 83 L CA -1.221 53.854 54.840 0.391 0.000 0.823 83 L CB 1.765 43.985 42.059 0.269 0.000 1.366 83 L HN 0.496 nan 8.230 nan 0.000 0.423 84 N N 1.310 120.151 118.700 0.235 0.000 2.229 84 N HA 0.756 5.496 4.740 -0.000 0.000 0.298 84 N C -1.318 174.236 175.510 0.072 0.000 1.114 84 N CA -0.265 52.809 53.050 0.041 0.000 0.776 84 N CB 2.759 41.251 38.487 0.009 0.000 1.501 84 N HN 0.663 nan 8.380 nan 0.000 0.474 85 I N -0.199 120.298 120.570 -0.121 0.000 2.647 85 I HA 0.454 4.624 4.170 -0.000 0.000 0.295 85 I C -0.944 175.167 176.117 -0.009 0.000 1.078 85 I CA -0.703 60.631 61.300 0.056 0.000 1.048 85 I CB 2.654 40.571 38.000 -0.139 0.000 1.239 85 I HN 0.233 nan 8.210 nan 0.000 0.421 86 W N 4.974 126.391 121.300 0.196 0.000 2.554 86 W HA 0.551 5.210 4.660 -0.000 0.000 0.324 86 W C -1.359 175.271 176.519 0.184 0.000 1.018 86 W CA -0.638 56.814 57.345 0.179 0.000 1.243 86 W CB 2.230 31.782 29.460 0.155 0.000 1.345 86 W HN 0.067 nan 8.180 nan 0.000 0.441 87 V N 5.619 125.752 119.914 0.366 0.000 2.350 87 V HA 0.247 4.366 4.120 -0.000 0.000 0.285 87 V C -1.795 174.434 176.094 0.224 0.000 1.014 87 V CA -2.074 60.408 62.300 0.303 0.000 0.831 87 V CB 1.594 33.641 31.823 0.373 0.000 1.000 87 V HN 0.218 nan 8.190 nan 0.000 0.433 88 P HA 0.219 nan 4.420 nan 0.000 0.271 88 P C -0.971 176.387 177.300 0.097 0.000 1.216 88 P CA -0.122 63.047 63.100 0.115 0.000 0.771 88 P CB 1.097 32.836 31.700 0.065 0.000 0.864 89 Q N 1.422 121.274 119.800 0.088 0.000 2.387 89 Q HA 0.558 4.897 4.340 -0.000 0.000 0.273 89 Q C 0.618 176.657 176.000 0.064 0.000 1.089 89 Q CA -0.665 55.186 55.803 0.080 0.000 0.824 89 Q CB 2.618 31.409 28.738 0.089 0.000 1.367 89 Q HN 0.548 nan 8.270 nan 0.000 0.443 90 G N 0.755 109.592 108.800 0.061 0.000 2.829 90 G HA2 0.292 4.252 3.960 -0.000 0.000 0.173 90 G HA3 0.292 4.252 3.960 -0.000 0.000 0.173 90 G C 0.601 175.539 174.900 0.065 0.000 1.476 90 G CA -0.026 45.109 45.100 0.058 0.000 1.072 90 G HN 0.559 nan 8.290 nan 0.000 0.577 91 R N -0.609 119.930 120.500 0.065 0.000 2.428 91 R HA 0.154 4.493 4.340 -0.000 0.000 0.193 91 R C 2.077 178.413 176.300 0.059 0.000 0.852 91 R CA 1.010 57.149 56.100 0.065 0.000 1.055 91 R CB -0.774 29.573 30.300 0.077 0.000 1.343 91 R HN 0.601 nan 8.270 nan 0.000 0.655 92 K N 1.941 122.376 120.400 0.057 0.000 1.973 92 K HA -0.130 4.190 4.320 -0.000 0.000 0.212 92 K C 0.593 177.228 176.600 0.058 0.000 1.047 92 K CA 1.575 57.894 56.287 0.053 0.000 0.937 92 K CB -0.198 32.332 32.500 0.050 0.000 0.721 92 K HN 0.503 nan 8.250 nan 0.000 0.440 93 E N 0.164 120.405 120.200 0.069 0.000 2.433 93 E HA 0.395 4.745 4.350 -0.000 0.000 0.273 93 E C -1.048 175.611 176.600 0.098 0.000 0.950 93 E CA -1.228 55.222 56.400 0.083 0.000 0.796 93 E CB 1.766 31.525 29.700 0.098 0.000 1.330 93 E HN -0.100 nan 8.360 nan 0.000 0.455 94 V N 1.528 121.512 119.914 0.115 0.000 2.811 94 V HA 0.102 4.222 4.120 -0.000 0.000 0.302 94 V C 0.241 176.429 176.094 0.158 0.000 1.063 94 V CA -0.321 62.057 62.300 0.130 0.000 1.088 94 V CB 1.292 33.194 31.823 0.132 0.000 0.982 94 V HN 0.676 nan 8.190 nan 0.000 0.485 95 S N 3.152 118.922 115.700 0.117 0.000 2.549 95 S HA 0.405 4.875 4.470 -0.000 0.000 0.279 95 S C -0.332 174.330 174.600 0.104 0.000 1.321 95 S CA -0.210 58.018 58.200 0.047 0.000 1.054 95 S CB 0.026 63.251 63.200 0.042 0.000 0.899 95 S HN 1.058 nan 8.310 nan 0.000 0.497 96 H N -1.119 117.991 119.070 0.067 0.000 3.046 96 H HA 0.541 5.097 4.556 -0.000 0.000 0.361 96 H C -0.985 174.373 175.328 0.050 0.000 1.235 96 H CA -0.999 55.086 56.048 0.062 0.000 1.146 96 H CB 0.443 30.234 29.762 0.048 0.000 1.859 96 H HN 0.423 nan 8.280 nan 0.000 0.548 97 D N 0.226 120.711 120.400 0.142 0.000 2.907 97 D HA -0.155 4.484 4.640 -0.000 0.000 0.226 97 D C -0.629 175.677 176.300 0.010 0.000 1.141 97 D CA 0.467 54.522 54.000 0.091 0.000 0.779 97 D CB -0.919 39.976 40.800 0.158 0.000 1.095 97 D HN 0.372 nan 8.370 nan 0.000 0.430 98 L N 0.056 121.284 121.223 0.009 0.000 2.399 98 L HA 0.431 4.771 4.340 -0.000 0.000 0.266 98 L C -1.711 175.171 176.870 0.019 0.000 1.114 98 L CA -1.463 53.375 54.840 -0.004 0.000 0.804 98 L CB 0.146 42.210 42.059 0.009 0.000 1.146 98 L HN -0.255 nan 8.230 nan 0.000 0.451 99 P HA 0.167 nan 4.420 nan 0.000 0.272 99 P C -1.276 176.047 177.300 0.038 0.000 1.230 99 P CA -0.149 62.954 63.100 0.005 0.000 0.788 99 P CB 0.697 32.384 31.700 -0.021 0.000 0.949 100 V N 3.401 123.346 119.914 0.052 0.000 2.531 100 V HA 0.422 4.542 4.120 -0.000 0.000 0.301 100 V C -0.084 176.077 176.094 0.111 0.000 1.034 100 V CA -0.298 62.062 62.300 0.101 0.000 0.865 100 V CB 1.480 33.374 31.823 0.117 0.000 0.995 100 V HN 0.468 nan 8.190 nan 0.000 0.424 101 M N 5.855 125.548 119.600 0.154 0.000 2.078 101 M HA 0.570 5.049 4.480 -0.000 0.000 0.320 101 M C -0.973 175.618 176.300 0.485 0.000 0.969 101 M CA -0.221 55.184 55.300 0.174 0.000 0.929 101 M CB 1.773 34.295 32.600 -0.130 0.000 1.504 101 M HN 0.447 nan 8.290 nan 0.000 0.419 102 I N 3.217 124.111 120.570 0.539 0.000 2.315 102 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 102 I C -0.566 175.972 176.117 0.702 0.000 1.006 102 I CA -0.449 61.208 61.300 0.594 0.000 1.265 102 I CB 0.823 39.085 38.000 0.437 0.000 1.387 102 I HN 0.718 nan 8.210 nan 0.000 0.475 103 W N 8.629 130.149 121.300 0.367 0.000 2.351 103 W HA 0.548 5.208 4.660 -0.000 0.000 0.311 103 W C -1.510 174.892 176.519 -0.194 0.000 1.168 103 W CA -0.669 56.559 57.345 -0.195 0.000 1.200 103 W CB 1.187 30.457 29.460 -0.317 0.000 1.221 103 W HN 0.340 nan 8.180 nan 0.000 0.519 104 I N 8.814 128.705 120.570 -1.131 0.000 2.382 104 I HA 0.087 4.257 4.170 -0.000 0.000 0.285 104 I C -0.297 175.074 176.117 -1.243 0.000 1.007 104 I CA -1.115 59.610 61.300 -0.958 0.000 1.142 104 I CB 0.911 38.615 38.000 -0.494 0.000 1.289 104 I HN 0.299 nan 8.210 nan 0.000 0.453 105 Y N 4.568 124.431 120.300 -0.729 0.000 2.326 105 Y HA 0.693 5.243 4.550 -0.000 0.000 0.333 105 Y C 0.890 176.732 175.900 -0.096 0.000 1.240 105 Y CA -0.716 57.150 58.100 -0.388 0.000 1.365 105 Y CB 0.132 38.476 38.460 -0.193 0.000 1.289 105 Y HN 0.557 nan 8.280 nan 0.000 0.548 106 G N 0.298 109.261 108.800 0.271 0.000 3.311 106 G HA2 0.384 4.344 3.960 -0.000 0.000 0.169 106 G HA3 0.384 4.344 3.960 -0.000 0.000 0.169 106 G C 0.674 175.536 174.900 -0.063 0.000 1.852 106 G CA -0.571 44.558 45.100 0.050 0.000 1.010 106 G HN 1.859 nan 8.290 nan 0.000 0.530 107 G N -1.419 107.117 108.800 -0.441 0.000 2.303 107 G HA2 0.268 4.228 3.960 -0.000 0.000 0.260 107 G HA3 0.268 4.228 3.960 -0.000 0.000 0.260 107 G C 0.857 175.676 174.900 -0.136 0.000 1.106 107 G CA 0.920 45.802 45.100 -0.364 0.000 0.900 107 G HN 2.195 nan 8.290 nan 0.000 0.495 108 A N -1.099 121.624 122.820 -0.162 0.000 2.714 108 A HA -0.032 4.288 4.320 -0.000 0.000 0.305 108 A C 1.478 179.179 177.584 0.196 0.000 1.520 108 A CA 1.656 53.671 52.037 -0.037 0.000 0.879 108 A CB -1.891 17.123 19.000 0.024 0.000 0.976 108 A HN 2.110 nan 8.150 nan 0.000 0.487 109 F N -4.776 115.294 119.950 0.200 0.000 2.935 109 F HA -0.334 4.193 4.527 -0.000 0.000 0.317 109 F C 1.268 177.313 175.800 0.407 0.000 0.699 109 F CA 1.809 59.999 58.000 0.318 0.000 1.127 109 F CB -1.737 37.295 39.000 0.055 0.000 1.491 109 F HN 0.791 nan 8.300 nan 0.000 0.337 110 L N -2.192 119.285 121.223 0.422 0.000 2.717 110 L HA 0.442 4.781 4.340 -0.000 0.000 0.239 110 L C 0.688 177.706 176.870 0.246 0.000 1.086 110 L CA 0.111 55.181 54.840 0.384 0.000 0.897 110 L CB 0.381 42.672 42.059 0.387 0.000 1.214 110 L HN 0.132 nan 8.230 nan 0.000 0.508 111 M N 0.168 119.866 119.600 0.164 0.000 2.619 111 M HA 0.929 5.409 4.480 -0.000 0.000 0.297 111 M C -0.557 175.756 176.300 0.021 0.000 1.229 111 M CA -0.399 54.948 55.300 0.079 0.000 0.860 111 M CB 2.446 35.064 32.600 0.031 0.000 1.741 111 M HN -0.038 nan 8.290 nan 0.000 0.462 112 G N 0.645 109.369 108.800 -0.127 0.000 2.351 112 G HA2 0.582 4.541 3.960 -0.000 0.000 0.296 112 G HA3 0.582 4.541 3.960 -0.000 0.000 0.296 112 G C -2.333 172.025 174.900 -0.903 0.000 1.685 112 G CA -0.217 44.573 45.100 -0.516 0.000 0.936 112 G HN 1.342 nan 8.290 nan 0.000 0.714 113 A N 0.610 122.672 122.820 -1.263 0.000 2.540 113 A HA 0.846 5.166 4.320 -0.000 0.000 0.297 113 A C 1.070 178.337 177.584 -0.529 0.000 1.056 113 A CA 0.625 52.210 52.037 -0.754 0.000 0.700 113 A CB 1.134 19.883 19.000 -0.418 0.000 1.280 113 A HN 2.231 nan 8.150 nan 0.000 0.398 114 S N 1.383 116.998 115.700 -0.142 0.000 2.383 114 S HA -0.201 4.269 4.470 -0.000 0.000 0.229 114 S C 1.010 175.601 174.600 -0.016 0.000 1.030 114 S CA 1.501 59.793 58.200 0.153 0.000 1.002 114 S CB -0.607 62.796 63.200 0.337 0.000 0.829 114 S HN 0.909 nan 8.310 nan 0.000 0.467 115 Q N 2.013 121.589 119.800 -0.373 0.000 2.903 115 Q HA 0.282 4.622 4.340 -0.000 0.000 0.243 115 Q C 0.730 176.355 176.000 -0.625 0.000 1.366 115 Q CA 0.168 55.360 55.803 -1.017 0.000 0.898 115 Q CB -1.379 26.747 28.738 -1.021 0.000 1.718 115 Q HN 0.509 nan 8.270 nan 0.000 0.557 116 G N 1.679 110.186 108.800 -0.488 0.000 2.332 116 G HA2 -0.105 3.854 3.960 -0.000 0.000 0.275 116 G HA3 -0.105 3.854 3.960 -0.000 0.000 0.275 116 G C 0.076 174.604 174.900 -0.622 0.000 0.825 116 G CA 0.604 45.275 45.100 -0.714 0.000 1.070 116 G HN 0.930 nan 8.290 nan 0.000 0.470 117 A N -0.082 122.537 122.820 -0.334 0.000 2.564 117 A HA 0.817 5.137 4.320 -0.000 0.000 0.288 117 A C 0.358 177.893 177.584 -0.083 0.000 1.164 117 A CA -0.164 51.806 52.037 -0.112 0.000 0.712 117 A CB 0.689 19.564 19.000 -0.209 0.000 1.303 117 A HN 1.174 nan 8.150 nan 0.000 0.418 118 N N -1.468 117.189 118.700 -0.072 0.000 2.590 118 N HA -0.091 4.648 4.740 -0.000 0.000 0.273 118 N C -1.203 174.348 175.510 0.068 0.000 1.210 118 N CA 1.225 54.227 53.050 -0.080 0.000 0.676 118 N CB -0.945 37.420 38.487 -0.203 0.000 0.881 118 N HN 0.855 nan 8.380 nan 0.000 0.550 119 F N -0.513 119.428 119.950 -0.014 0.000 2.952 119 F HA 0.380 4.907 4.527 -0.000 0.000 0.329 119 F C -0.760 174.998 175.800 -0.070 0.000 1.137 119 F CA -0.841 57.174 58.000 0.026 0.000 0.889 119 F CB 0.384 39.458 39.000 0.124 0.000 1.335 119 F HN -0.064 nan 8.300 nan 0.000 0.449 120 L N 0.208 121.733 121.223 0.503 0.000 2.562 120 L HA 0.127 4.467 4.340 -0.000 0.000 0.188 120 L C 1.795 178.664 176.870 -0.002 0.000 1.342 120 L CA 0.850 55.771 54.840 0.134 0.000 1.104 120 L CB -0.794 41.341 42.059 0.127 0.000 1.257 120 L HN 0.622 nan 8.230 nan 0.000 0.632 121 S N 0.059 115.761 115.700 0.003 0.000 2.392 121 S HA -0.099 4.371 4.470 -0.000 0.000 0.232 121 S C 0.512 175.062 174.600 -0.083 0.000 1.041 121 S CA 1.207 59.376 58.200 -0.052 0.000 1.026 121 S CB -0.327 62.854 63.200 -0.031 0.000 0.845 121 S HN 0.391 nan 8.310 nan 0.000 0.465 122 N N -1.104 117.508 118.700 -0.146 0.000 2.329 122 N HA 0.436 5.175 4.740 -0.000 0.000 0.282 122 N C -0.500 174.959 175.510 -0.085 0.000 1.198 122 N CA -0.385 52.594 53.050 -0.118 0.000 0.790 122 N CB 2.119 40.458 38.487 -0.247 0.000 1.579 122 N HN 0.273 nan 8.380 nan 0.000 0.475 123 Y N -1.552 118.475 120.300 -0.455 0.000 2.473 123 Y HA 0.418 4.967 4.550 -0.000 0.000 0.291 123 Y C -0.374 174.846 175.900 -1.133 0.000 1.042 123 Y CA -0.285 57.472 58.100 -0.572 0.000 0.996 123 Y CB 0.080 38.371 38.460 -0.282 0.000 1.385 123 Y HN 0.261 nan 8.280 nan 0.000 0.578 124 L N 2.801 123.117 121.223 -1.512 0.000 2.455 124 L HA 0.131 4.471 4.340 -0.000 0.000 0.272 124 L C -1.081 174.942 176.870 -1.412 0.000 1.174 124 L CA 0.039 54.066 54.840 -1.354 0.000 0.869 124 L CB 0.285 41.728 42.059 -1.025 0.000 1.130 124 L HN 0.200 nan 8.230 nan 0.000 0.474 125 Y N 1.568 121.329 120.300 -0.899 0.000 2.553 125 Y HA 0.243 4.793 4.550 -0.000 0.000 0.369 125 Y C 0.055 175.428 175.900 -0.878 0.000 0.964 125 Y CA -1.145 56.127 58.100 -1.379 0.000 1.156 125 Y CB 0.057 37.899 38.460 -1.030 0.000 1.218 125 Y HN 0.454 nan 8.280 nan 0.000 0.630 126 D N 0.611 120.626 120.400 -0.641 0.000 2.280 126 D HA 0.176 4.816 4.640 -0.000 0.000 0.243 126 D C 1.064 176.952 176.300 -0.687 0.000 1.129 126 D CA 0.012 53.681 54.000 -0.552 0.000 0.848 126 D CB 1.791 42.434 40.800 -0.261 0.000 1.107 126 D HN 0.730 nan 8.370 nan 0.000 0.471 127 G N 3.261 111.191 108.800 -1.450 0.000 2.920 127 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.208 127 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.208 127 G C 1.143 175.677 174.900 -0.610 0.000 1.159 127 G CA -0.054 44.542 45.100 -0.840 0.000 0.784 127 G HN 0.624 nan 8.290 nan 0.000 0.535 128 E N 0.404 120.199 120.200 -0.674 0.000 2.049 128 E HA -0.225 4.125 4.350 -0.000 0.000 0.198 128 E C 2.163 178.723 176.600 -0.066 0.000 1.007 128 E CA 1.447 57.753 56.400 -0.157 0.000 0.809 128 E CB -0.007 29.700 29.700 0.011 0.000 0.749 128 E HN 0.363 nan 8.360 nan 0.000 0.450 129 E N 0.549 120.703 120.200 -0.077 0.000 2.051 129 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 129 E C 2.004 178.583 176.600 -0.036 0.000 0.991 129 E CA 1.435 57.814 56.400 -0.036 0.000 0.799 129 E CB -0.209 29.493 29.700 0.004 0.000 0.748 129 E HN 0.385 nan 8.360 nan 0.000 0.449 130 I N 0.112 120.660 120.570 -0.037 0.000 2.142 130 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 130 I C 2.389 178.501 176.117 -0.009 0.000 1.078 130 I CA 1.028 62.309 61.300 -0.030 0.000 1.343 130 I CB -0.523 37.456 38.000 -0.035 0.000 1.046 130 I HN 0.155 nan 8.210 nan 0.000 0.405 131 A N 1.164 123.988 122.820 0.008 0.000 1.873 131 A HA -0.286 4.033 4.320 -0.000 0.000 0.218 131 A C 2.468 180.067 177.584 0.024 0.000 1.193 131 A CA 3.039 55.107 52.037 0.051 0.000 0.629 131 A CB -1.367 17.712 19.000 0.132 0.000 0.826 131 A HN 0.555 nan 8.150 nan 0.000 0.447 132 T N -2.923 111.643 114.554 0.020 0.000 2.857 132 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 132 T C 1.974 176.671 174.700 -0.005 0.000 1.048 132 T CA 1.295 63.401 62.100 0.010 0.000 1.139 132 T CB -0.252 68.625 68.868 0.016 0.000 0.874 132 T HN 0.443 nan 8.240 nan 0.000 0.455 133 R N 0.866 121.352 120.500 -0.022 0.000 2.193 133 R HA 0.170 4.510 4.340 -0.000 0.000 0.213 133 R C 2.220 178.566 176.300 0.078 0.000 1.055 133 R CA 0.955 57.044 56.100 -0.019 0.000 0.995 133 R CB -0.255 29.982 30.300 -0.104 0.000 0.893 133 R HN 0.559 nan 8.270 nan 0.000 0.459 134 G N -0.933 107.890 108.800 0.038 0.000 3.079 134 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.233 134 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.233 134 G C -0.275 174.515 174.900 -0.183 0.000 1.062 134 G CA -0.112 45.027 45.100 0.065 0.000 0.809 134 G HN 0.372 nan 8.290 nan 0.000 0.535 135 N N -0.682 117.869 118.700 -0.248 0.000 2.681 135 N HA -0.179 4.561 4.740 -0.000 0.000 0.259 135 N C -1.066 174.347 175.510 -0.161 0.000 1.066 135 N CA 0.671 53.533 53.050 -0.313 0.000 0.717 135 N CB -1.251 36.809 38.487 -0.712 0.000 0.885 135 N HN 0.185 nan 8.380 nan 0.000 0.547 136 V N 2.342 122.224 119.914 -0.054 0.000 2.971 136 V HA 0.497 4.616 4.120 -0.000 0.000 0.309 136 V C 0.391 176.528 176.094 0.073 0.000 1.130 136 V CA -0.893 61.407 62.300 0.000 0.000 0.964 136 V CB 2.081 33.901 31.823 -0.005 0.000 1.029 136 V HN 0.245 nan 8.190 nan 0.000 0.427 137 I N 3.693 124.328 120.570 0.108 0.000 2.395 137 I HA 0.366 4.535 4.170 -0.000 0.000 0.289 137 I C -0.481 175.773 176.117 0.227 0.000 1.023 137 I CA -0.355 61.055 61.300 0.184 0.000 1.350 137 I CB 1.467 39.574 38.000 0.178 0.000 1.409 137 I HN 0.212 nan 8.210 nan 0.000 0.507 138 V N 7.514 127.622 119.914 0.324 0.000 2.459 138 V HA 0.437 4.556 4.120 -0.000 0.000 0.295 138 V C 0.005 176.428 176.094 0.548 0.000 1.029 138 V CA -0.575 61.963 62.300 0.397 0.000 0.874 138 V CB 2.130 34.142 31.823 0.315 0.000 0.985 138 V HN 0.412 nan 8.190 nan 0.000 0.438 139 V N 3.700 123.942 119.914 0.547 0.000 2.769 139 V HA 0.842 4.962 4.120 -0.000 0.000 0.312 139 V C 0.057 176.528 176.094 0.629 0.000 1.061 139 V CA -0.398 62.236 62.300 0.558 0.000 0.931 139 V CB 2.379 34.458 31.823 0.428 0.000 1.010 139 V HN 1.033 nan 8.190 nan 0.000 0.433 140 T N 0.811 115.748 114.554 0.639 0.000 2.883 140 T HA 0.918 5.268 4.350 -0.000 0.000 0.301 140 T C -1.000 174.040 174.700 0.566 0.000 1.158 140 T CA -0.610 61.825 62.100 0.558 0.000 1.007 140 T CB 2.243 71.463 68.868 0.587 0.000 1.186 140 T HN 1.094 nan 8.240 nan 0.000 0.499 141 F N -1.105 119.101 119.950 0.426 0.000 2.817 141 F HA 0.759 5.286 4.527 -0.000 0.000 0.317 141 F C -1.738 174.363 175.800 0.501 0.000 1.168 141 F CA -1.333 56.928 58.000 0.436 0.000 0.911 141 F CB 0.639 39.830 39.000 0.318 0.000 1.337 141 F HN 0.532 nan 8.300 nan 0.000 0.464 142 N N 0.505 119.668 118.700 0.771 0.000 2.405 142 N HA 0.478 5.218 4.740 -0.000 0.000 0.299 142 N C -1.729 174.243 175.510 0.770 0.000 1.075 142 N CA -0.438 52.967 53.050 0.591 0.000 0.884 142 N CB 1.737 40.478 38.487 0.424 0.000 1.194 142 N HN 0.783 nan 8.380 nan 0.000 0.491 143 Y N -1.634 118.947 120.300 0.469 0.000 2.492 143 Y HA 0.543 5.092 4.550 -0.000 0.000 0.346 143 Y C -0.026 176.034 175.900 0.266 0.000 0.997 143 Y CA -1.266 57.061 58.100 0.379 0.000 1.025 143 Y CB 0.881 39.525 38.460 0.308 0.000 1.263 143 Y HN 0.222 nan 8.280 nan 0.000 0.454 144 R N 2.265 122.986 120.500 0.368 0.000 2.538 144 R HA 0.414 4.754 4.340 -0.000 0.000 0.282 144 R C -0.299 176.138 176.300 0.228 0.000 1.009 144 R CA 0.195 56.412 56.100 0.195 0.000 1.063 144 R CB 0.505 30.853 30.300 0.080 0.000 0.945 144 R HN 0.735 nan 8.270 nan 0.000 0.414 145 V N -0.278 119.761 119.914 0.208 0.000 3.074 145 V HA 0.933 5.053 4.120 -0.000 0.000 0.314 145 V C 0.466 176.731 176.094 0.285 0.000 1.117 145 V CA -0.029 62.486 62.300 0.358 0.000 1.014 145 V CB 1.516 33.534 31.823 0.324 0.000 1.057 145 V HN 1.011 nan 8.190 nan 0.000 0.438 146 G N 2.410 111.460 108.800 0.416 0.000 2.693 146 G HA2 -0.124 3.835 3.960 -0.000 0.000 0.226 146 G HA3 -0.124 3.835 3.960 -0.000 0.000 0.226 146 G C -1.794 173.169 174.900 0.105 0.000 1.354 146 G CA 0.062 45.348 45.100 0.311 0.000 0.873 146 G HN 0.783 nan 8.290 nan 0.000 0.562 147 P HA -0.054 nan 4.420 nan 0.000 0.216 147 P C 2.245 179.417 177.300 -0.213 0.000 1.150 147 P CA 1.630 64.372 63.100 -0.596 0.000 0.843 147 P CB -0.068 31.297 31.700 -0.559 0.000 0.787 148 L N -2.087 119.076 121.223 -0.100 0.000 2.265 148 L HA -0.076 4.263 4.340 -0.000 0.000 0.215 148 L C 2.262 179.094 176.870 -0.064 0.000 1.117 148 L CA 1.610 56.405 54.840 -0.075 0.000 0.782 148 L CB -1.020 41.015 42.059 -0.040 0.000 0.914 148 L HN 0.132 nan 8.230 nan 0.000 0.441 149 G N -1.937 106.829 108.800 -0.056 0.000 2.784 149 G HA2 0.032 3.992 3.960 -0.000 0.000 0.208 149 G HA3 0.032 3.992 3.960 -0.000 0.000 0.208 149 G C 0.734 175.356 174.900 -0.463 0.000 1.120 149 G CA -0.055 44.896 45.100 -0.248 0.000 0.774 149 G HN 0.255 nan 8.290 nan 0.000 0.528 150 F N -0.231 119.857 119.950 0.229 0.000 2.825 150 F HA 0.465 4.991 4.527 -0.001 0.000 0.322 150 F C 0.153 176.110 175.800 0.262 0.000 1.127 150 F CA -1.094 57.032 58.000 0.209 0.000 1.164 150 F CB 0.505 39.593 39.000 0.147 0.000 1.101 150 F HN -0.096 nan 8.300 nan 0.000 0.529 151 L N 1.281 122.688 121.223 0.306 0.000 2.453 151 L HA 0.488 4.827 4.340 -0.000 0.000 0.272 151 L C 0.301 177.384 176.870 0.356 0.000 1.182 151 L CA 0.354 55.366 54.840 0.286 0.000 0.858 151 L CB 0.700 42.784 42.059 0.041 0.000 1.120 151 L HN 0.083 nan 8.230 nan 0.000 0.474 152 S N 1.466 117.370 115.700 0.340 0.000 2.533 152 S HA 0.448 4.918 4.470 -0.000 0.000 0.271 152 S C 0.519 175.250 174.600 0.219 0.000 1.143 152 S CA 0.014 58.367 58.200 0.254 0.000 0.891 152 S CB 1.351 64.667 63.200 0.194 0.000 1.105 152 S HN 0.826 nan 8.310 nan 0.000 0.468 153 T N 0.525 115.182 114.554 0.173 0.000 3.057 153 T HA 0.395 4.745 4.350 -0.000 0.000 0.254 153 T C 1.505 176.275 174.700 0.117 0.000 1.094 153 T CA 0.856 63.041 62.100 0.142 0.000 1.088 153 T CB -0.161 68.776 68.868 0.115 0.000 0.934 153 T HN 2.023 nan 8.240 nan 0.000 0.497 154 G N 2.133 110.999 108.800 0.110 0.000 2.157 154 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.239 154 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.239 154 G C -0.359 174.582 174.900 0.067 0.000 0.982 154 G CA 0.203 45.354 45.100 0.085 0.000 0.650 154 G HN 0.977 nan 8.290 nan 0.000 0.527 155 D N -1.897 118.546 120.400 0.071 0.000 2.664 155 D HA 0.574 5.214 4.640 -0.000 0.000 0.292 155 D C 1.386 177.724 176.300 0.063 0.000 1.214 155 D CA 0.437 54.472 54.000 0.059 0.000 0.932 155 D CB 0.175 41.005 40.800 0.050 0.000 1.420 155 D HN 0.507 nan 8.370 nan 0.000 0.471 156 S N -0.151 115.581 115.700 0.054 0.000 2.444 156 S HA -0.334 4.135 4.470 -0.000 0.000 0.244 156 S C 1.081 175.718 174.600 0.061 0.000 1.025 156 S CA 1.702 59.933 58.200 0.053 0.000 0.995 156 S CB -1.180 62.045 63.200 0.041 0.000 0.781 156 S HN 0.574 nan 8.310 nan 0.000 0.496 157 N N 0.520 119.258 118.700 0.063 0.000 2.084 157 N HA 0.088 4.828 4.740 -0.000 0.000 0.190 157 N C -0.197 175.371 175.510 0.095 0.000 1.030 157 N CA 1.018 54.108 53.050 0.068 0.000 0.849 157 N CB -0.042 38.482 38.487 0.062 0.000 1.012 157 N HN 0.264 nan 8.380 nan 0.000 0.423 158 L N -0.317 120.978 121.223 0.120 0.000 2.595 158 L HA 0.311 4.650 4.340 -0.000 0.000 0.259 158 L C -2.365 174.602 176.870 0.162 0.000 1.033 158 L CA -1.500 53.450 54.840 0.185 0.000 0.901 158 L CB 2.084 44.254 42.059 0.185 0.000 1.151 158 L HN -0.166 nan 8.230 nan 0.000 0.453 159 P HA 0.149 nan 4.420 nan 0.000 0.217 159 P C 0.694 177.970 177.300 -0.041 0.000 1.151 159 P CA 1.319 64.439 63.100 0.033 0.000 0.828 159 P CB 0.306 32.011 31.700 0.009 0.000 0.788 160 G N -1.077 107.581 108.800 -0.236 0.000 2.545 160 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 160 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 160 G C -0.273 174.262 174.900 -0.608 0.000 1.314 160 G CA -0.095 44.817 45.100 -0.312 0.000 0.906 160 G HN 0.117 nan 8.290 nan 0.000 0.563 161 N N -1.631 116.986 118.700 -0.139 0.000 2.713 161 N HA -0.236 4.504 4.740 -0.000 0.000 0.251 161 N C 1.005 176.436 175.510 -0.132 0.000 1.117 161 N CA 1.999 55.020 53.050 -0.049 0.000 0.770 161 N CB -1.447 36.980 38.487 -0.101 0.000 1.137 161 N HN 0.695 nan 8.380 nan 0.000 0.566 162 Y N -0.162 120.179 120.300 0.068 0.000 2.207 162 Y HA -0.090 4.459 4.550 -0.001 0.000 0.287 162 Y C 2.584 178.438 175.900 -0.075 0.000 1.156 162 Y CA 1.552 59.693 58.100 0.069 0.000 1.182 162 Y CB -0.653 37.782 38.460 -0.042 0.000 0.979 162 Y HN 0.257 nan 8.280 nan 0.000 0.521 163 G N -0.013 108.597 108.800 -0.316 0.000 2.422 163 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 163 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 163 G C 1.592 176.444 174.900 -0.081 0.000 1.146 163 G CA 0.910 45.830 45.100 -0.300 0.000 0.769 163 G HN 0.382 nan 8.290 nan 0.000 0.547 164 L N -1.532 119.603 121.223 -0.146 0.000 2.217 164 L HA 0.058 4.398 4.340 -0.000 0.000 0.211 164 L C 2.641 179.041 176.870 -0.784 0.000 1.107 164 L CA 0.407 55.005 54.840 -0.403 0.000 0.783 164 L CB -0.337 41.420 42.059 -0.503 0.000 0.919 164 L HN 0.291 nan 8.230 nan 0.000 0.442 165 W N 0.952 121.903 121.300 -0.581 0.000 2.381 165 W HA -0.160 4.500 4.660 -0.000 0.000 0.301 165 W C 2.360 178.809 176.519 -0.117 0.000 1.205 165 W CA 0.755 57.837 57.345 -0.438 0.000 1.285 165 W CB -0.193 29.112 29.460 -0.259 0.000 1.133 165 W HN 0.152 nan 8.180 nan 0.000 0.521 166 D N -0.077 120.433 120.400 0.183 0.000 2.104 166 D HA -0.212 4.428 4.640 -0.000 0.000 0.194 166 D C 1.961 178.271 176.300 0.017 0.000 0.994 166 D CA 1.597 55.748 54.000 0.253 0.000 0.830 166 D CB -0.833 40.196 40.800 0.382 0.000 0.959 166 D HN 0.344 nan 8.370 nan 0.000 0.452 167 Q N -0.394 119.414 119.800 0.012 0.000 2.096 167 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 167 Q C 2.139 177.990 176.000 -0.249 0.000 0.982 167 Q CA 1.560 57.299 55.803 -0.107 0.000 0.850 167 Q CB -0.372 28.393 28.738 0.045 0.000 0.901 167 Q HN 0.467 nan 8.270 nan 0.000 0.422 168 H N 0.560 119.540 119.070 -0.150 0.000 2.353 168 H HA -0.077 4.479 4.556 -0.000 0.000 0.300 168 H C 1.863 177.163 175.328 -0.048 0.000 1.090 168 H CA 1.685 57.722 56.048 -0.019 0.000 1.327 168 H CB 0.013 29.843 29.762 0.114 0.000 1.383 168 H HN 0.098 nan 8.280 nan 0.000 0.508 169 M N 0.117 119.536 119.600 -0.303 0.000 2.159 169 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 169 M C 2.578 178.605 176.300 -0.454 0.000 1.063 169 M CA 1.365 56.514 55.300 -0.252 0.000 1.110 169 M CB -1.218 31.459 32.600 0.127 0.000 1.374 169 M HN 0.505 nan 8.290 nan 0.000 0.411 170 A N 0.972 123.175 122.820 -1.028 0.000 1.845 170 A HA -0.136 4.183 4.320 -0.000 0.000 0.215 170 A C 2.205 179.472 177.584 -0.528 0.000 1.195 170 A CA 1.456 52.699 52.037 -1.324 0.000 0.616 170 A CB -0.926 16.700 19.000 -2.289 0.000 0.832 170 A HN 0.448 nan 8.150 nan 0.000 0.443 171 I N -0.068 120.246 120.570 -0.427 0.000 2.194 171 I HA -0.349 3.820 4.170 -0.000 0.000 0.246 171 I C 2.950 179.025 176.117 -0.069 0.000 1.093 171 I CA 1.214 62.433 61.300 -0.135 0.000 1.355 171 I CB -0.457 37.523 38.000 -0.032 0.000 1.046 171 I HN 0.392 nan 8.210 nan 0.000 0.413 172 A N 0.152 122.880 122.820 -0.153 0.000 1.877 172 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 172 A C 2.123 179.714 177.584 0.012 0.000 1.186 172 A CA 1.568 53.552 52.037 -0.088 0.000 0.620 172 A CB -1.241 17.641 19.000 -0.197 0.000 0.822 172 A HN 0.655 nan 8.150 nan 0.000 0.443 173 W N 0.583 121.813 121.300 -0.118 0.000 2.338 173 W HA -0.185 4.475 4.660 -0.001 0.000 0.304 173 W C 1.969 178.478 176.519 -0.017 0.000 1.212 173 W CA 2.287 59.611 57.345 -0.035 0.000 1.264 173 W CB -0.206 29.263 29.460 0.015 0.000 1.142 173 W HN 0.115 nan 8.180 nan 0.000 0.512 174 V N 1.355 121.447 119.914 0.296 0.000 2.343 174 V HA -0.321 3.798 4.120 -0.000 0.000 0.247 174 V C 2.650 178.738 176.094 -0.010 0.000 1.051 174 V CA 2.127 64.540 62.300 0.189 0.000 1.036 174 V CB -0.988 30.958 31.823 0.205 0.000 0.654 174 V HN 0.078 nan 8.190 nan 0.000 0.451 175 K N 0.530 120.923 120.400 -0.012 0.000 2.063 175 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 175 K C 2.229 178.775 176.600 -0.091 0.000 1.048 175 K CA 1.631 57.901 56.287 -0.028 0.000 0.928 175 K CB -0.244 32.253 32.500 -0.006 0.000 0.713 175 K HN 0.442 nan 8.250 nan 0.000 0.442 176 R N -0.342 120.055 120.500 -0.170 0.000 2.246 176 R HA 0.101 4.441 4.340 -0.000 0.000 0.199 176 R C 1.361 177.448 176.300 -0.355 0.000 0.984 176 R CA 0.593 56.554 56.100 -0.233 0.000 1.015 176 R CB 0.118 30.277 30.300 -0.235 0.000 0.930 176 R HN 0.255 nan 8.270 nan 0.000 0.475 177 N N -0.081 118.302 118.700 -0.528 0.000 2.239 177 N HA 0.010 4.750 4.740 -0.000 0.000 0.208 177 N C 1.236 176.623 175.510 -0.205 0.000 1.200 177 N CA 0.004 52.713 53.050 -0.568 0.000 0.895 177 N CB 0.467 38.187 38.487 -1.279 0.000 1.085 177 N HN -0.024 nan 8.380 nan 0.000 0.500 178 I N 2.848 123.353 120.570 -0.107 0.000 2.623 178 I HA -0.208 3.962 4.170 -0.000 0.000 0.261 178 I C 2.177 178.404 176.117 0.183 0.000 1.204 178 I CA 1.311 62.691 61.300 0.134 0.000 1.444 178 I CB -0.205 37.852 38.000 0.095 0.000 1.094 178 I HN 0.173 nan 8.210 nan 0.000 0.451 179 E N -0.113 120.125 120.200 0.064 0.000 2.285 179 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 179 E C 2.255 178.878 176.600 0.039 0.000 0.997 179 E CA 0.730 57.165 56.400 0.058 0.000 0.845 179 E CB -0.038 29.670 29.700 0.012 0.000 0.782 179 E HN 0.568 nan 8.360 nan 0.000 0.491 180 A N 0.331 123.133 122.820 -0.030 0.000 1.940 180 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 180 A C 1.583 179.016 177.584 -0.252 0.000 1.176 180 A CA 1.141 53.054 52.037 -0.206 0.000 0.631 180 A CB -0.643 18.104 19.000 -0.421 0.000 0.814 180 A HN 0.338 nan 8.150 nan 0.000 0.446 181 F N -1.249 118.702 119.950 0.001 0.000 2.743 181 F HA 0.359 4.885 4.527 -0.000 0.000 0.297 181 F C 1.838 177.699 175.800 0.101 0.000 1.131 181 F CA 0.696 58.724 58.000 0.046 0.000 1.426 181 F CB 0.080 39.091 39.000 0.019 0.000 1.116 181 F HN 0.370 nan 8.300 nan 0.000 0.583 182 G N -0.158 108.786 108.800 0.240 0.000 2.159 182 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.170 182 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.170 182 G C 0.458 175.458 174.900 0.166 0.000 1.007 182 G CA -0.466 44.755 45.100 0.201 0.000 0.672 182 G HN 0.688 nan 8.290 nan 0.000 0.507 183 G N -0.452 108.450 108.800 0.170 0.000 2.451 183 G HA2 0.509 4.469 3.960 -0.000 0.000 0.303 183 G HA3 0.509 4.469 3.960 -0.000 0.000 0.303 183 G C -0.882 174.074 174.900 0.094 0.000 1.166 183 G CA 0.159 45.334 45.100 0.126 0.000 0.884 183 G HN 0.230 nan 8.290 nan 0.000 0.514 184 D N 1.083 121.525 120.400 0.070 0.000 2.412 184 D HA 0.344 4.983 4.640 -0.000 0.000 0.224 184 D C -1.480 174.845 176.300 0.041 0.000 1.093 184 D CA -2.305 51.726 54.000 0.052 0.000 0.850 184 D CB 1.833 42.657 40.800 0.039 0.000 1.046 184 D HN -0.047 nan 8.370 nan 0.000 0.507 185 P HA -0.088 nan 4.420 nan 0.000 0.218 185 P C 0.245 177.557 177.300 0.021 0.000 1.146 185 P CA 0.901 64.014 63.100 0.022 0.000 0.813 185 P CB 0.305 32.008 31.700 0.005 0.000 0.778 186 D N -1.795 118.615 120.400 0.017 0.000 2.325 186 D HA 0.023 4.662 4.640 -0.000 0.000 0.234 186 D C 0.578 176.881 176.300 0.005 0.000 1.122 186 D CA 0.417 54.424 54.000 0.011 0.000 0.850 186 D CB -0.347 40.457 40.800 0.008 0.000 0.921 186 D HN 0.096 nan 8.370 nan 0.000 0.513 187 N N 0.699 119.405 118.700 0.009 0.000 2.433 187 N HA 0.140 4.880 4.740 -0.000 0.000 0.270 187 N C -0.432 175.080 175.510 0.003 0.000 1.354 187 N CA -0.222 52.823 53.050 -0.009 0.000 0.889 187 N CB 0.496 38.975 38.487 -0.014 0.000 1.285 187 N HN 0.070 nan 8.380 nan 0.000 0.503 188 I N 1.106 121.692 120.570 0.027 0.000 2.533 188 I HA 0.063 4.232 4.170 -0.000 0.000 0.284 188 I C 0.103 176.255 176.117 0.058 0.000 1.109 188 I CA 0.520 61.856 61.300 0.059 0.000 1.412 188 I CB 0.753 38.799 38.000 0.075 0.000 1.396 188 I HN -0.078 nan 8.210 nan 0.000 0.543 189 T N 7.473 122.073 114.554 0.077 0.000 2.841 189 T HA 0.572 4.922 4.350 -0.000 0.000 0.283 189 T C -0.248 174.570 174.700 0.197 0.000 1.000 189 T CA -0.567 61.586 62.100 0.089 0.000 0.977 189 T CB 1.435 70.309 68.868 0.011 0.000 0.979 189 T HN 0.270 nan 8.240 nan 0.000 0.446 190 L N 4.361 125.731 121.223 0.245 0.000 2.334 190 L HA 0.782 5.122 4.340 -0.000 0.000 0.276 190 L C -0.870 176.265 176.870 0.442 0.000 1.014 190 L CA -1.081 53.969 54.840 0.349 0.000 0.815 190 L CB 1.239 43.445 42.059 0.245 0.000 1.268 190 L HN 0.637 nan 8.230 nan 0.000 0.428 191 F N 0.079 120.118 119.950 0.149 0.000 2.626 191 F HA 0.982 5.509 4.527 -0.000 0.000 0.311 191 F C -0.309 175.434 175.800 -0.095 0.000 1.088 191 F CA -1.824 56.265 58.000 0.149 0.000 0.949 191 F CB 1.562 40.765 39.000 0.339 0.000 1.322 191 F HN 0.502 nan 8.300 nan 0.000 0.461 192 G N 0.544 109.219 108.800 -0.210 0.000 2.466 192 G HA2 0.475 4.434 3.960 -0.000 0.000 0.291 192 G HA3 0.475 4.434 3.960 -0.000 0.000 0.291 192 G C -2.547 172.226 174.900 -0.212 0.000 1.460 192 G CA -0.785 43.827 45.100 -0.812 0.000 0.791 192 G HN 0.869 nan 8.290 nan 0.000 0.505 193 E N 0.018 120.129 120.200 -0.148 0.000 2.288 193 E HA 0.660 5.009 4.350 -0.000 0.000 0.268 193 E C 0.613 177.374 176.600 0.267 0.000 0.885 193 E CA 0.298 56.834 56.400 0.228 0.000 0.767 193 E CB 2.342 32.293 29.700 0.419 0.000 1.220 193 E HN 0.976 nan 8.360 nan 0.000 0.427 194 S N 1.957 117.891 115.700 0.389 0.000 4.059 194 S HA -0.391 4.079 4.470 -0.000 0.000 0.624 194 S C 1.438 176.211 174.600 0.289 0.000 2.019 194 S CA 1.911 60.374 58.200 0.439 0.000 4.197 194 S CB -1.521 61.953 63.200 0.456 0.000 0.215 194 S HN 0.929 nan 8.310 nan 0.000 0.609 195 A N 0.798 123.608 122.820 -0.016 0.000 2.032 195 A HA 0.103 4.423 4.320 -0.000 0.000 0.221 195 A C 2.404 179.850 177.584 -0.230 0.000 1.165 195 A CA 2.479 54.330 52.037 -0.309 0.000 0.645 195 A CB -1.520 16.826 19.000 -1.090 0.000 0.807 195 A HN 1.593 nan 8.150 nan 0.000 0.453 196 G N -0.890 107.832 108.800 -0.130 0.000 2.430 196 G HA2 0.135 4.095 3.960 -0.000 0.000 0.216 196 G HA3 0.135 4.095 3.960 -0.000 0.000 0.216 196 G C 1.436 176.271 174.900 -0.107 0.000 1.146 196 G CA 1.063 46.035 45.100 -0.214 0.000 0.793 196 G HN 0.649 nan 8.290 nan 0.000 0.537 197 G N 1.079 109.910 108.800 0.052 0.000 2.408 197 G HA2 0.093 4.053 3.960 -0.000 0.000 0.217 197 G HA3 0.093 4.053 3.960 -0.000 0.000 0.217 197 G C 1.996 176.993 174.900 0.162 0.000 1.150 197 G CA 1.418 46.600 45.100 0.136 0.000 0.776 197 G HN 0.565 nan 8.290 nan 0.000 0.542 198 A N 0.795 123.749 122.820 0.223 0.000 1.898 198 A HA 0.062 4.382 4.320 -0.000 0.000 0.216 198 A C 2.690 180.354 177.584 0.133 0.000 1.181 198 A CA 2.128 54.264 52.037 0.165 0.000 0.620 198 A CB -0.587 18.547 19.000 0.223 0.000 0.819 198 A HN 0.287 nan 8.150 nan 0.000 0.442 199 S N -0.411 115.367 115.700 0.130 0.000 2.368 199 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 199 S C 1.891 176.524 174.600 0.055 0.000 1.030 199 S CA 1.376 59.624 58.200 0.080 0.000 0.999 199 S CB -0.477 62.695 63.200 -0.047 0.000 0.844 199 S HN 0.328 nan 8.310 nan 0.000 0.459 200 V N 1.102 121.045 119.914 0.048 0.000 2.287 200 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 200 V C 2.572 178.728 176.094 0.104 0.000 1.053 200 V CA 2.025 64.377 62.300 0.087 0.000 1.027 200 V CB -0.805 31.084 31.823 0.110 0.000 0.646 200 V HN 0.511 nan 8.190 nan 0.000 0.447 201 S N -0.364 115.400 115.700 0.106 0.000 2.378 201 S HA -0.203 4.267 4.470 -0.000 0.000 0.221 201 S C 1.914 176.512 174.600 -0.002 0.000 1.037 201 S CA 2.109 60.339 58.200 0.050 0.000 1.069 201 S CB -0.458 62.765 63.200 0.038 0.000 1.006 201 S HN 0.484 nan 8.310 nan 0.000 0.423 202 L N 1.277 122.504 121.223 0.006 0.000 2.189 202 L HA -0.172 4.168 4.340 -0.000 0.000 0.214 202 L C 2.791 179.660 176.870 -0.002 0.000 1.097 202 L CA 1.221 56.056 54.840 -0.009 0.000 0.764 202 L CB -0.606 41.465 42.059 0.020 0.000 0.900 202 L HN 0.431 nan 8.230 nan 0.000 0.436 203 Q N -0.565 119.263 119.800 0.047 0.000 2.245 203 Q HA -0.107 4.232 4.340 -0.000 0.000 0.201 203 Q C 2.329 178.321 176.000 -0.013 0.000 0.955 203 Q CA 1.852 57.690 55.803 0.058 0.000 0.870 203 Q CB -0.178 28.634 28.738 0.124 0.000 0.945 203 Q HN 0.670 nan 8.270 nan 0.000 0.461 204 T N -2.108 112.440 114.554 -0.010 0.000 3.023 204 T HA 0.067 4.417 4.350 -0.000 0.000 0.266 204 T C 1.933 176.585 174.700 -0.079 0.000 1.093 204 T CA 0.329 62.415 62.100 -0.024 0.000 1.129 204 T CB -0.143 68.723 68.868 -0.004 0.000 0.899 204 T HN 0.110 nan 8.240 nan 0.000 0.491 205 L N 1.145 122.302 121.223 -0.110 0.000 2.209 205 L HA 0.218 4.557 4.340 -0.000 0.000 0.207 205 L C 1.791 178.534 176.870 -0.212 0.000 1.094 205 L CA 0.010 54.764 54.840 -0.142 0.000 0.790 205 L CB -0.487 41.496 42.059 -0.127 0.000 0.932 205 L HN 0.228 nan 8.230 nan 0.000 0.447 206 S N 1.460 116.978 115.700 -0.304 0.000 2.546 206 S HA 0.051 4.521 4.470 -0.000 0.000 0.290 206 S C -1.056 173.319 174.600 -0.375 0.000 1.290 206 S CA -1.176 56.719 58.200 -0.507 0.000 1.069 206 S CB 0.667 63.197 63.200 -1.117 0.000 0.846 206 S HN 0.046 nan 8.310 nan 0.000 0.495 207 P HA -0.108 nan 4.420 nan 0.000 0.222 207 P C 0.594 177.687 177.300 -0.344 0.000 1.147 207 P CA 1.141 64.064 63.100 -0.294 0.000 0.790 207 P CB -0.097 31.421 31.700 -0.303 0.000 0.780 208 Y N 0.731 120.756 120.300 -0.457 0.000 2.333 208 Y HA -0.055 4.494 4.550 -0.001 0.000 0.290 208 Y C 1.800 177.544 175.900 -0.261 0.000 1.144 208 Y CA 0.966 58.826 58.100 -0.400 0.000 1.228 208 Y CB -1.018 37.045 38.460 -0.661 0.000 0.985 208 Y HN 0.026 nan 8.280 nan 0.000 0.542 209 N N 0.494 119.121 118.700 -0.122 0.000 2.376 209 N HA -0.029 4.711 4.740 -0.000 0.000 0.249 209 N C 1.595 177.099 175.510 -0.011 0.000 1.140 209 N CA -0.021 53.041 53.050 0.019 0.000 0.870 209 N CB 0.208 38.722 38.487 0.045 0.000 1.124 209 N HN 0.285 nan 8.380 nan 0.000 0.505 210 K N 1.386 121.755 120.400 -0.053 0.000 2.023 210 K HA -0.170 4.150 4.320 -0.000 0.000 0.227 210 K C 0.970 177.558 176.600 -0.020 0.000 1.054 210 K CA 1.857 58.109 56.287 -0.058 0.000 0.977 210 K CB -0.459 31.997 32.500 -0.074 0.000 0.733 210 K HN 0.278 nan 8.250 nan 0.000 0.451 211 G N 0.284 109.085 108.800 0.001 0.000 4.222 211 G HA2 0.327 4.286 3.960 -0.000 0.000 0.301 211 G HA3 0.327 4.286 3.960 -0.000 0.000 0.301 211 G C 1.133 176.050 174.900 0.028 0.000 1.171 211 G CA -0.404 44.703 45.100 0.010 0.000 0.937 211 G HN 0.213 nan 8.290 nan 0.000 0.557 212 L N -0.332 120.920 121.223 0.047 0.000 2.269 212 L HA 0.407 4.746 4.340 -0.000 0.000 0.200 212 L C 0.970 177.875 176.870 0.058 0.000 1.069 212 L CA 0.331 55.207 54.840 0.060 0.000 0.804 212 L CB -0.142 41.974 42.059 0.096 0.000 0.987 212 L HN 0.096 nan 8.230 nan 0.000 0.468 213 I N 1.158 121.767 120.570 0.064 0.000 2.416 213 I HA -0.003 4.166 4.170 -0.000 0.000 0.288 213 I C 0.978 177.127 176.117 0.054 0.000 1.051 213 I CA 0.076 61.419 61.300 0.070 0.000 1.375 213 I CB 1.428 39.478 38.000 0.084 0.000 1.407 213 I HN 0.046 nan 8.210 nan 0.000 0.516 214 K N 6.371 126.798 120.400 0.044 0.000 2.214 214 K HA 0.235 4.554 4.320 -0.000 0.000 0.201 214 K C 0.278 176.887 176.600 0.014 0.000 1.049 214 K CA 0.912 57.209 56.287 0.017 0.000 0.978 214 K CB 0.503 32.995 32.500 -0.014 0.000 0.842 214 K HN 0.537 nan 8.250 nan 0.000 0.474 215 R N -1.205 119.307 120.500 0.020 0.000 2.831 215 R HA 0.763 5.103 4.340 -0.000 0.000 0.266 215 R C -1.536 174.875 176.300 0.184 0.000 1.051 215 R CA -0.919 55.210 56.100 0.049 0.000 0.943 215 R CB 2.038 32.183 30.300 -0.257 0.000 1.228 215 R HN 0.060 nan 8.270 nan 0.000 0.467 216 A N 1.037 124.056 122.820 0.330 0.000 2.589 216 A HA 0.703 5.023 4.320 -0.000 0.000 0.296 216 A C -1.410 176.254 177.584 0.134 0.000 1.062 216 A CA -0.682 51.528 52.037 0.289 0.000 0.686 216 A CB 1.463 20.665 19.000 0.337 0.000 1.282 216 A HN 0.586 nan 8.150 nan 0.000 0.404 217 I N 1.260 121.857 120.570 0.046 0.000 2.512 217 I HA 0.397 4.567 4.170 -0.000 0.000 0.287 217 I C -0.328 175.775 176.117 -0.023 0.000 1.069 217 I CA -0.355 60.833 61.300 -0.186 0.000 1.056 217 I CB 2.307 40.172 38.000 -0.226 0.000 1.229 217 I HN 0.471 nan 8.210 nan 0.000 0.429 218 S N 5.447 121.066 115.700 -0.134 0.000 2.498 218 S HA 0.466 4.936 4.470 -0.000 0.000 0.317 218 S C -0.679 173.996 174.600 0.125 0.000 1.090 218 S CA -0.617 57.614 58.200 0.052 0.000 1.089 218 S CB 1.479 64.747 63.200 0.114 0.000 0.997 218 S HN 0.494 nan 8.310 nan 0.000 0.470 219 Q N 1.385 121.336 119.800 0.252 0.000 2.333 219 Q HA 0.455 4.795 4.340 -0.000 0.000 0.265 219 Q C -0.205 175.985 176.000 0.317 0.000 0.989 219 Q CA -0.610 55.402 55.803 0.348 0.000 0.842 219 Q CB 1.569 30.587 28.738 0.467 0.000 1.262 219 Q HN 0.716 nan 8.270 nan 0.000 0.451 220 S N 1.233 117.108 115.700 0.291 0.000 3.559 220 S HA -0.158 4.312 4.470 -0.000 0.000 0.369 220 S C -0.027 174.957 174.600 0.640 0.000 0.987 220 S CA 0.671 59.092 58.200 0.369 0.000 1.187 220 S CB -1.120 62.244 63.200 0.273 0.000 0.914 220 S HN 0.987 nan 8.310 nan 0.000 0.480 221 G N -1.094 108.033 108.800 0.545 0.000 2.387 221 G HA2 0.484 4.444 3.960 -0.000 0.000 0.309 221 G HA3 0.484 4.444 3.960 -0.000 0.000 0.309 221 G C -1.501 173.584 174.900 0.308 0.000 1.641 221 G CA 0.005 45.479 45.100 0.625 0.000 0.904 221 G HN 0.745 nan 8.290 nan 0.000 0.661 222 V N 1.203 121.184 119.914 0.112 0.000 3.178 222 V HA 0.733 4.853 4.120 -0.000 0.000 0.302 222 V C 1.414 177.401 176.094 -0.179 0.000 1.262 222 V CA 0.454 62.761 62.300 0.012 0.000 1.030 222 V CB 2.146 34.001 31.823 0.052 0.000 1.074 222 V HN 1.529 nan 8.190 nan 0.000 0.438 223 G N 2.380 111.105 108.800 -0.125 0.000 2.499 223 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.221 223 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.221 223 G C 0.865 175.617 174.900 -0.247 0.000 1.109 223 G CA 1.174 46.166 45.100 -0.181 0.000 0.749 223 G HN 0.662 nan 8.290 nan 0.000 0.568 224 L N 0.390 121.476 121.223 -0.230 0.000 2.592 224 L HA 0.232 4.571 4.340 -0.000 0.000 0.227 224 L C 0.619 177.281 176.870 -0.347 0.000 1.127 224 L CA -0.823 53.879 54.840 -0.230 0.000 0.884 224 L CB -0.224 41.749 42.059 -0.145 0.000 1.065 224 L HN 0.024 nan 8.230 nan 0.000 0.457 225 C N 2.720 121.692 119.300 -0.545 0.000 2.648 225 C HA 0.085 4.544 4.460 -0.000 0.000 0.419 225 C C -0.000 174.488 174.990 -0.837 0.000 1.352 225 C CA -0.951 57.570 59.018 -0.829 0.000 1.816 225 C CB 0.541 27.386 27.740 -1.492 0.000 2.598 225 C HN 0.290 nan 8.230 nan 0.000 0.598 226 P HA -0.158 nan 4.420 nan 0.000 0.218 226 P C 1.196 178.272 177.300 -0.374 0.000 1.146 226 P CA 1.949 64.801 63.100 -0.412 0.000 0.820 226 P CB -0.120 31.381 31.700 -0.331 0.000 0.778 227 W N -1.517 119.607 121.300 -0.292 0.000 3.197 227 W HA 0.554 5.214 4.660 -0.000 0.000 0.274 227 W C 1.304 177.728 176.519 -0.157 0.000 1.297 227 W CA 0.332 57.534 57.345 -0.238 0.000 1.662 227 W CB -1.105 28.214 29.460 -0.235 0.000 1.106 227 W HN -0.111 nan 8.180 nan 0.000 0.663 228 A N 1.182 123.665 122.820 -0.562 0.000 2.072 228 A HA 0.171 4.490 4.320 -0.000 0.000 0.216 228 A C 0.849 178.231 177.584 -0.336 0.000 1.156 228 A CA 0.677 52.485 52.037 -0.381 0.000 0.701 228 A CB -0.211 18.434 19.000 -0.592 0.000 0.816 228 A HN 0.112 nan 8.150 nan 0.000 0.458 229 I N 0.299 120.687 120.570 -0.304 0.000 2.418 229 I HA 0.253 4.423 4.170 -0.000 0.000 0.287 229 I C -0.550 175.438 176.117 -0.215 0.000 1.008 229 I CA -0.545 60.604 61.300 -0.252 0.000 1.104 229 I CB 1.480 39.359 38.000 -0.202 0.000 1.264 229 I HN 0.138 nan 8.210 nan 0.000 0.438 230 Q N 5.729 125.405 119.800 -0.207 0.000 2.323 230 Q HA 0.157 4.496 4.340 -0.000 0.000 0.257 230 Q C 0.817 176.782 176.000 -0.059 0.000 1.022 230 Q CA 0.003 55.706 55.803 -0.167 0.000 0.919 230 Q CB 0.962 29.590 28.738 -0.185 0.000 1.220 230 Q HN 0.392 nan 8.270 nan 0.000 0.427 231 Q N 2.450 122.235 119.800 -0.025 0.000 2.046 231 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 231 Q C -0.173 175.879 176.000 0.087 0.000 0.975 231 Q CA 1.170 56.986 55.803 0.021 0.000 0.836 231 Q CB 0.082 28.835 28.738 0.024 0.000 0.896 231 Q HN 0.602 nan 8.270 nan 0.000 0.428 232 D N 0.449 120.966 120.400 0.195 0.000 2.460 232 D HA 0.222 4.862 4.640 -0.000 0.000 0.268 232 D C -2.078 174.432 176.300 0.350 0.000 1.153 232 D CA -2.367 51.782 54.000 0.248 0.000 0.929 232 D CB 1.371 42.338 40.800 0.277 0.000 1.015 232 D HN -0.201 nan 8.370 nan 0.000 0.502 233 P HA -0.145 nan 4.420 nan 0.000 0.211 233 P C 1.682 179.156 177.300 0.289 0.000 1.179 233 P CA 0.261 63.505 63.100 0.240 0.000 0.910 233 P CB 0.244 32.038 31.700 0.158 0.000 0.785 234 L N -1.175 120.171 121.223 0.206 0.000 2.103 234 L HA -0.224 4.116 4.340 -0.000 0.000 0.215 234 L C 2.174 179.161 176.870 0.196 0.000 1.080 234 L CA 1.745 56.689 54.840 0.174 0.000 0.764 234 L CB -1.649 40.470 42.059 0.101 0.000 0.890 234 L HN -0.116 nan 8.230 nan 0.000 0.435 235 F N -0.351 119.565 119.950 -0.057 0.000 2.045 235 F HA -0.324 4.203 4.527 -0.000 0.000 0.297 235 F C 2.151 177.732 175.800 -0.366 0.000 1.114 235 F CA 2.108 59.900 58.000 -0.347 0.000 1.207 235 F CB -1.046 37.494 39.000 -0.766 0.000 0.964 235 F HN 0.245 nan 8.300 nan 0.000 0.486 236 W N -0.254 121.111 121.300 0.107 0.000 2.770 236 W HA 0.167 4.827 4.660 -0.000 0.000 0.256 236 W C 2.383 178.986 176.519 0.140 0.000 1.291 236 W CA 0.801 58.114 57.345 -0.054 0.000 1.396 236 W CB -1.116 28.065 29.460 -0.465 0.000 1.114 236 W HN 0.172 nan 8.180 nan 0.000 0.637 237 A N 1.131 124.163 122.820 0.353 0.000 1.930 237 A HA -0.179 4.140 4.320 -0.000 0.000 0.217 237 A C 2.038 179.757 177.584 0.225 0.000 1.175 237 A CA 1.448 53.673 52.037 0.314 0.000 0.627 237 A CB -0.461 18.691 19.000 0.253 0.000 0.815 237 A HN 0.165 nan 8.150 nan 0.000 0.443 238 K N -0.617 119.890 120.400 0.179 0.000 2.007 238 K HA -0.057 4.263 4.320 -0.000 0.000 0.206 238 K C 2.275 178.958 176.600 0.139 0.000 1.047 238 K CA 1.247 57.611 56.287 0.129 0.000 0.937 238 K CB -0.213 32.338 32.500 0.086 0.000 0.718 238 K HN 0.335 nan 8.250 nan 0.000 0.438 239 R N 0.645 121.239 120.500 0.156 0.000 2.117 239 R HA -0.133 4.206 4.340 -0.000 0.000 0.243 239 R C 2.211 178.627 176.300 0.194 0.000 1.143 239 R CA 1.181 57.377 56.100 0.160 0.000 0.968 239 R CB -0.305 30.083 30.300 0.148 0.000 0.863 239 R HN 0.179 nan 8.270 nan 0.000 0.444 240 I N 0.298 121.016 120.570 0.246 0.000 2.286 240 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 240 I C 2.307 178.517 176.117 0.155 0.000 1.104 240 I CA 1.135 62.575 61.300 0.235 0.000 1.397 240 I CB -1.216 36.953 38.000 0.281 0.000 1.072 240 I HN 0.129 nan 8.210 nan 0.000 0.417 241 A N 0.006 122.909 122.820 0.139 0.000 2.216 241 A HA -0.173 4.146 4.320 -0.000 0.000 0.214 241 A C 2.283 179.919 177.584 0.086 0.000 1.160 241 A CA 1.109 53.206 52.037 0.099 0.000 0.725 241 A CB -0.532 18.523 19.000 0.092 0.000 0.784 241 A HN 0.528 nan 8.150 nan 0.000 0.472 242 E N 0.037 120.296 120.200 0.098 0.000 2.042 242 E HA -0.166 4.184 4.350 -0.000 0.000 0.189 242 E C 1.746 178.393 176.600 0.079 0.000 0.974 242 E CA 1.134 57.584 56.400 0.083 0.000 0.806 242 E CB -0.078 29.676 29.700 0.090 0.000 0.769 242 E HN 0.371 nan 8.360 nan 0.000 0.451 243 K N 0.249 120.706 120.400 0.096 0.000 2.026 243 K HA -0.001 4.319 4.320 -0.000 0.000 0.208 243 K C 0.490 177.132 176.600 0.071 0.000 1.048 243 K CA 0.609 56.949 56.287 0.088 0.000 0.929 243 K CB -0.039 32.526 32.500 0.110 0.000 0.713 243 K HN -0.022 nan 8.250 nan 0.000 0.439 244 V N 1.096 121.053 119.914 0.073 0.000 2.432 244 V HA 0.279 4.398 4.120 -0.000 0.000 0.275 244 V C 0.615 176.739 176.094 0.050 0.000 1.043 244 V CA -0.906 61.428 62.300 0.055 0.000 0.925 244 V CB 0.971 32.825 31.823 0.052 0.000 0.985 244 V HN 0.360 nan 8.190 nan 0.000 0.466 245 G N 4.153 112.977 108.800 0.040 0.000 2.401 245 G HA2 0.181 4.140 3.960 -0.000 0.000 0.288 245 G HA3 0.181 4.140 3.960 -0.000 0.000 0.288 245 G C -0.116 174.804 174.900 0.034 0.000 0.917 245 G CA 0.150 45.272 45.100 0.035 0.000 1.610 245 G HN 0.728 nan 8.290 nan 0.000 0.439 246 c N 3.149 121.773 118.600 0.040 0.000 2.888 246 c HA 0.396 4.965 4.570 -0.000 0.000 0.308 246 c C -2.275 171.838 174.090 0.039 0.000 1.213 246 c CA -1.223 55.129 56.329 0.039 0.000 1.461 246 c CB 2.595 45.132 42.510 0.045 0.000 1.934 246 c HN 0.549 nan 8.230 nan 0.000 0.474 247 P HA 0.036 nan 4.420 nan 0.000 0.254 247 P C 0.975 178.297 177.300 0.037 0.000 1.467 247 P CA 0.665 63.783 63.100 0.031 0.000 1.281 247 P CB 0.023 31.739 31.700 0.027 0.000 1.754 248 V N 2.267 122.205 119.914 0.039 0.000 2.218 248 V HA -0.273 3.847 4.120 -0.000 0.000 0.251 248 V C 1.312 177.428 176.094 0.037 0.000 1.057 248 V CA 2.015 64.341 62.300 0.044 0.000 1.022 248 V CB -0.654 31.194 31.823 0.042 0.000 0.645 248 V HN 0.445 nan 8.190 nan 0.000 0.451 249 D N 0.812 121.227 120.400 0.025 0.000 2.663 249 D HA 0.101 4.740 4.640 -0.000 0.000 0.243 249 D C -0.161 176.150 176.300 0.018 0.000 1.218 249 D CA 0.328 54.339 54.000 0.018 0.000 0.846 249 D CB -0.374 40.431 40.800 0.007 0.000 1.014 249 D HN 0.610 nan 8.370 nan 0.000 0.476 250 D N 0.298 120.713 120.400 0.025 0.000 2.968 250 D HA -0.032 4.608 4.640 -0.000 0.000 0.301 250 D C 1.612 177.931 176.300 0.031 0.000 1.226 250 D CA -0.012 54.002 54.000 0.024 0.000 0.746 250 D CB 0.752 41.565 40.800 0.021 0.000 1.278 250 D HN 0.013 nan 8.370 nan 0.000 0.544 251 T N -0.871 113.705 114.554 0.036 0.000 2.719 251 T HA -0.400 3.950 4.350 -0.000 0.000 0.254 251 T C 2.110 176.837 174.700 0.043 0.000 1.106 251 T CA 2.623 64.750 62.100 0.045 0.000 1.146 251 T CB -0.742 68.153 68.868 0.045 0.000 0.839 251 T HN 0.278 nan 8.240 nan 0.000 0.473 252 S N 2.262 117.983 115.700 0.035 0.000 2.353 252 S HA -0.142 4.327 4.470 -0.000 0.000 0.222 252 S C 2.070 176.687 174.600 0.029 0.000 1.035 252 S CA 1.391 59.610 58.200 0.031 0.000 1.025 252 S CB -0.530 62.684 63.200 0.025 0.000 0.902 252 S HN 0.748 nan 8.310 nan 0.000 0.440 253 K N 0.756 121.172 120.400 0.027 0.000 2.097 253 K HA 0.072 4.391 4.320 -0.000 0.000 0.205 253 K C 2.379 178.996 176.600 0.029 0.000 1.050 253 K CA 1.336 57.638 56.287 0.024 0.000 0.938 253 K CB -0.336 32.177 32.500 0.022 0.000 0.718 253 K HN 0.431 nan 8.250 nan 0.000 0.442 254 M N 0.858 120.480 119.600 0.037 0.000 2.086 254 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 254 M C 2.213 178.542 176.300 0.047 0.000 1.067 254 M CA 1.844 57.172 55.300 0.046 0.000 1.116 254 M CB -0.126 32.507 32.600 0.056 0.000 1.348 254 M HN 0.192 nan 8.290 nan 0.000 0.407 255 A N 0.059 122.908 122.820 0.049 0.000 1.877 255 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 255 A C 2.293 179.896 177.584 0.031 0.000 1.186 255 A CA 1.814 53.881 52.037 0.050 0.000 0.620 255 A CB -1.709 17.325 19.000 0.056 0.000 0.822 255 A HN 0.648 nan 8.150 nan 0.000 0.443 256 G N -1.056 107.759 108.800 0.025 0.000 2.440 256 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 256 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 256 G C 1.768 176.675 174.900 0.010 0.000 1.154 256 G CA 1.300 46.408 45.100 0.014 0.000 0.767 256 G HN 0.595 nan 8.290 nan 0.000 0.552 257 c N 0.313 118.923 118.600 0.017 0.000 2.418 257 c HA 0.015 4.585 4.570 -0.000 0.000 0.280 257 c C 2.983 177.080 174.090 0.012 0.000 1.223 257 c CA 1.154 57.493 56.329 0.016 0.000 1.736 257 c CB -1.209 41.315 42.510 0.024 0.000 2.056 257 c HN 0.441 nan 8.230 nan 0.000 0.459 258 L N 0.769 122.003 121.223 0.018 0.000 1.997 258 L HA -0.247 4.092 4.340 -0.000 0.000 0.216 258 L C 2.739 179.602 176.870 -0.012 0.000 1.074 258 L CA 2.264 57.111 54.840 0.011 0.000 0.763 258 L CB -0.780 41.295 42.059 0.026 0.000 0.890 258 L HN 0.394 nan 8.230 nan 0.000 0.434 259 K N -0.226 120.163 120.400 -0.018 0.000 2.286 259 K HA -0.129 4.191 4.320 -0.000 0.000 0.203 259 K C 1.708 178.285 176.600 -0.038 0.000 1.045 259 K CA 1.116 57.377 56.287 -0.044 0.000 0.935 259 K CB -0.063 32.413 32.500 -0.040 0.000 0.737 259 K HN 0.425 nan 8.250 nan 0.000 0.460 260 I N -0.311 120.247 120.570 -0.021 0.000 4.181 260 I HA -0.013 4.157 4.170 -0.000 0.000 0.331 260 I C 0.342 176.452 176.117 -0.012 0.000 1.312 260 I CA -0.084 61.206 61.300 -0.017 0.000 1.146 260 I CB 0.439 38.434 38.000 -0.010 0.000 1.074 260 I HN -0.091 nan 8.210 nan 0.000 0.402 261 T N 1.416 115.965 114.554 -0.009 0.000 2.903 261 T HA -0.041 4.309 4.350 -0.000 0.000 0.314 261 T C 0.013 174.708 174.700 -0.008 0.000 1.078 261 T CA 0.047 62.146 62.100 -0.003 0.000 1.114 261 T CB 0.674 69.545 68.868 0.005 0.000 0.987 261 T HN 0.142 nan 8.240 nan 0.000 0.548 262 D N 2.211 122.609 120.400 -0.003 0.000 2.450 262 D HA 0.108 4.748 4.640 -0.000 0.000 0.247 262 D C -1.507 174.789 176.300 -0.006 0.000 1.162 262 D CA -1.569 52.428 54.000 -0.004 0.000 0.879 262 D CB 0.899 41.699 40.800 0.001 0.000 1.163 262 D HN 0.068 nan 8.370 nan 0.000 0.472 263 P HA -0.203 nan 4.420 nan 0.000 0.215 263 P C 1.074 178.373 177.300 -0.002 0.000 1.163 263 P CA 1.498 64.591 63.100 -0.013 0.000 0.894 263 P CB 0.145 31.839 31.700 -0.010 0.000 0.791 264 R N -0.969 119.533 120.500 0.003 0.000 2.152 264 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 264 R C 2.183 178.489 176.300 0.010 0.000 1.117 264 R CA 1.335 57.439 56.100 0.006 0.000 0.981 264 R CB -0.799 29.503 30.300 0.002 0.000 0.870 264 R HN 0.190 nan 8.270 nan 0.000 0.451 265 A N 1.151 123.977 122.820 0.011 0.000 1.872 265 A HA -0.078 4.241 4.320 -0.000 0.000 0.214 265 A C 2.146 179.747 177.584 0.028 0.000 1.187 265 A CA 0.807 52.856 52.037 0.020 0.000 0.614 265 A CB -0.454 18.557 19.000 0.018 0.000 0.826 265 A HN 0.154 nan 8.150 nan 0.000 0.442 266 L N -0.390 120.842 121.223 0.015 0.000 2.042 266 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 266 L C 2.830 179.706 176.870 0.010 0.000 1.076 266 L CA 1.838 56.680 54.840 0.004 0.000 0.749 266 L CB -0.849 41.193 42.059 -0.028 0.000 0.893 266 L HN 0.393 nan 8.230 nan 0.000 0.432 267 T N 0.056 114.621 114.554 0.018 0.000 2.614 267 T HA -0.203 4.146 4.350 -0.000 0.000 0.263 267 T C 1.934 176.681 174.700 0.079 0.000 1.055 267 T CA 1.234 63.361 62.100 0.045 0.000 1.162 267 T CB -0.338 68.552 68.868 0.037 0.000 0.863 267 T HN 0.188 nan 8.240 nan 0.000 0.414 268 L N 0.783 122.038 121.223 0.053 0.000 2.131 268 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 268 L C 2.945 179.870 176.870 0.091 0.000 1.092 268 L CA 0.935 55.806 54.840 0.051 0.000 0.759 268 L CB -0.638 41.435 42.059 0.023 0.000 0.903 268 L HN 0.285 nan 8.230 nan 0.000 0.435 269 A N -0.877 122.010 122.820 0.112 0.000 2.084 269 A HA -0.262 4.058 4.320 -0.000 0.000 0.221 269 A C 1.073 178.813 177.584 0.261 0.000 1.161 269 A CA 0.978 53.106 52.037 0.153 0.000 0.653 269 A CB -0.648 18.436 19.000 0.140 0.000 0.802 269 A HN 0.424 nan 8.150 nan 0.000 0.457 270 Y N 2.430 122.802 120.300 0.121 0.000 2.676 270 Y HA 0.390 4.940 4.550 -0.000 0.000 0.338 270 Y C -0.033 175.950 175.900 0.140 0.000 1.057 270 Y CA -2.119 56.096 58.100 0.192 0.000 1.314 270 Y CB 0.114 38.722 38.460 0.246 0.000 1.164 270 Y HN 0.221 nan 8.280 nan 0.000 0.509 271 K N 6.769 127.189 120.400 0.033 0.000 2.265 271 K HA 0.294 4.614 4.320 -0.000 0.000 0.267 271 K C -0.944 175.547 176.600 -0.181 0.000 0.994 271 K CA -0.767 55.447 56.287 -0.123 0.000 0.860 271 K CB 1.961 34.455 32.500 -0.011 0.000 1.099 271 K HN 0.761 nan 8.250 nan 0.000 0.448 272 L N 5.357 126.390 121.223 -0.318 0.000 2.477 272 L HA 0.062 4.402 4.340 -0.000 0.000 0.272 272 L C -1.270 175.569 176.870 -0.050 0.000 1.157 272 L CA -1.245 53.484 54.840 -0.186 0.000 0.889 272 L CB 0.564 42.516 42.059 -0.179 0.000 1.158 272 L HN 0.548 nan 8.230 nan 0.000 0.473 273 P HA -0.050 nan 4.420 nan 0.000 0.261 273 P C -0.122 177.186 177.300 0.014 0.000 1.650 273 P CA -0.285 62.833 63.100 0.030 0.000 0.846 273 P CB -0.088 31.649 31.700 0.062 0.000 1.758 274 L N 0.870 122.090 121.223 -0.005 0.000 2.382 274 L HA 0.404 4.744 4.340 -0.000 0.000 0.259 274 L C 0.554 177.422 176.870 -0.004 0.000 1.291 274 L CA 0.087 54.922 54.840 -0.007 0.000 1.176 274 L CB -0.802 41.244 42.059 -0.022 0.000 1.373 274 L HN 0.082 nan 8.230 nan 0.000 0.426 275 G N 0.762 109.565 108.800 0.006 0.000 3.262 275 G HA2 0.374 4.334 3.960 -0.000 0.000 0.229 275 G HA3 0.374 4.334 3.960 -0.000 0.000 0.229 275 G C -0.581 174.326 174.900 0.012 0.000 1.280 275 G CA -0.433 44.671 45.100 0.007 0.000 0.951 275 G HN 0.229 nan 8.290 nan 0.000 0.589 276 S N 0.759 116.466 115.700 0.012 0.000 3.513 276 S HA 0.461 4.931 4.470 -0.000 0.000 0.209 276 S C -0.447 174.165 174.600 0.020 0.000 1.446 276 S CA -0.183 58.026 58.200 0.015 0.000 1.150 276 S CB -0.276 62.931 63.200 0.011 0.000 1.266 276 S HN 0.525 nan 8.310 nan 0.000 0.502 277 T N 1.652 116.222 114.554 0.027 0.000 2.993 277 T HA 0.264 4.614 4.350 -0.000 0.000 0.312 277 T C 0.047 174.781 174.700 0.056 0.000 1.115 277 T CA -0.908 61.215 62.100 0.038 0.000 1.027 277 T CB 1.733 70.621 68.868 0.034 0.000 1.116 277 T HN 0.289 nan 8.240 nan 0.000 0.464 278 E N 0.432 120.678 120.200 0.076 0.000 2.419 278 E HA 0.171 4.521 4.350 -0.000 0.000 0.190 278 E C -0.187 176.502 176.600 0.149 0.000 1.040 278 E CA -0.417 56.037 56.400 0.091 0.000 0.900 278 E CB -0.097 29.651 29.700 0.079 0.000 1.054 278 E HN 0.499 nan 8.360 nan 0.000 0.462 279 Y N 3.083 123.371 120.300 -0.021 0.000 2.457 279 Y HA 0.144 4.693 4.550 -0.000 0.000 0.341 279 Y C -1.727 174.133 175.900 -0.067 0.000 1.240 279 Y CA -3.028 55.053 58.100 -0.032 0.000 1.437 279 Y CB 0.423 38.860 38.460 -0.038 0.000 1.328 279 Y HN 0.025 nan 8.280 nan 0.000 0.588 280 P HA -0.052 nan 4.420 nan 0.000 0.250 280 P C -0.482 176.571 177.300 -0.412 0.000 1.161 280 P CA 0.747 63.707 63.100 -0.233 0.000 0.863 280 P CB 0.458 32.019 31.700 -0.231 0.000 0.827 281 K N 1.850 122.109 120.400 -0.235 0.000 1.833 281 K HA 0.315 4.635 4.320 -0.000 0.000 0.253 281 K C 0.675 177.312 176.600 0.062 0.000 0.656 281 K CA -0.890 55.202 56.287 -0.325 0.000 0.463 281 K CB -0.160 32.183 32.500 -0.262 0.000 1.873 281 K HN 0.184 nan 8.250 nan 0.000 0.599 282 L N 2.008 123.267 121.223 0.060 0.000 3.970 282 L HA -0.256 4.084 4.340 -0.000 0.000 0.425 282 L C -0.074 176.870 176.870 0.123 0.000 1.162 282 L CA 0.805 55.694 54.840 0.080 0.000 0.968 282 L CB -1.160 40.933 42.059 0.057 0.000 1.896 282 L HN 0.580 nan 8.230 nan 0.000 1.006 283 H N -1.917 117.275 119.070 0.203 0.000 4.050 283 H HA 0.167 4.723 4.556 -0.000 0.000 0.250 283 H C -0.954 174.495 175.328 0.200 0.000 1.150 283 H CA -0.309 55.831 56.048 0.153 0.000 1.162 283 H CB -0.008 29.793 29.762 0.064 0.000 3.486 283 H HN 0.157 nan 8.280 nan 0.000 0.657 284 Y N 1.241 121.584 120.300 0.072 0.000 2.902 284 Y HA 0.317 4.866 4.550 -0.000 0.000 0.353 284 Y C 0.221 176.050 175.900 -0.117 0.000 1.116 284 Y CA -0.415 57.662 58.100 -0.038 0.000 1.222 284 Y CB 0.295 38.767 38.460 0.020 0.000 1.302 284 Y HN 0.126 nan 8.280 nan 0.000 0.590 285 L N 1.661 122.875 121.223 -0.015 0.000 2.358 285 L HA 0.137 4.477 4.340 -0.000 0.000 0.274 285 L C 1.491 178.142 176.870 -0.366 0.000 1.136 285 L CA -0.059 54.776 54.840 -0.009 0.000 0.970 285 L CB 0.314 42.439 42.059 0.111 0.000 1.314 285 L HN 0.489 nan 8.230 nan 0.000 0.427 286 S N 1.526 116.749 115.700 -0.796 0.000 2.383 286 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 286 S C 0.619 174.495 174.600 -1.207 0.000 1.030 286 S CA 0.844 58.121 58.200 -1.539 0.000 1.002 286 S CB -0.393 61.363 63.200 -2.406 0.000 0.829 286 S HN 0.289 nan 8.310 nan 0.000 0.467 287 F N 1.881 121.545 119.950 -0.476 0.000 2.377 287 F HA 0.734 5.260 4.527 -0.001 0.000 0.360 287 F C 0.168 175.840 175.800 -0.213 0.000 1.147 287 F CA -0.799 57.060 58.000 -0.235 0.000 1.170 287 F CB 0.794 39.716 39.000 -0.131 0.000 1.339 287 F HN -0.008 nan 8.300 nan 0.000 0.552 288 V N 4.583 124.290 119.914 -0.346 0.000 3.181 288 V HA 0.604 4.724 4.120 -0.000 0.000 0.308 288 V C -2.332 173.227 176.094 -0.891 0.000 1.214 288 V CA -2.747 59.025 62.300 -0.881 0.000 1.053 288 V CB 2.984 34.498 31.823 -0.515 0.000 1.069 288 V HN 0.261 nan 8.190 nan 0.000 0.441 289 P HA 0.304 nan 4.420 nan 0.000 0.271 289 P C -1.333 175.797 177.300 -0.283 0.000 1.244 289 P CA 0.298 63.068 63.100 -0.551 0.000 0.793 289 P CB 0.450 31.851 31.700 -0.499 0.000 0.984 290 V N -2.626 117.211 119.914 -0.128 0.000 3.160 290 V HA 0.535 4.655 4.120 -0.000 0.000 0.310 290 V C -0.563 175.502 176.094 -0.048 0.000 1.181 290 V CA -1.092 61.162 62.300 -0.077 0.000 1.047 290 V CB 1.839 33.653 31.823 -0.016 0.000 1.068 290 V HN 0.224 nan 8.190 nan 0.000 0.441 291 I N 3.522 124.070 120.570 -0.035 0.000 2.291 291 I HA 0.345 4.515 4.170 -0.000 0.000 0.292 291 I C -0.043 176.078 176.117 0.007 0.000 1.064 291 I CA -0.147 61.140 61.300 -0.022 0.000 1.269 291 I CB 0.398 38.380 38.000 -0.029 0.000 1.418 291 I HN 0.937 nan 8.210 nan 0.000 0.485 292 D N 4.754 125.170 120.400 0.027 0.000 2.541 292 D HA 0.222 4.862 4.640 -0.000 0.000 0.276 292 D C 1.243 177.580 176.300 0.062 0.000 1.190 292 D CA -0.423 53.608 54.000 0.052 0.000 1.095 292 D CB 0.123 40.969 40.800 0.076 0.000 1.173 292 D HN 0.382 nan 8.370 nan 0.000 0.604 293 G N -1.079 107.774 108.800 0.088 0.000 2.426 293 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.214 293 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.214 293 G C 0.805 175.776 174.900 0.119 0.000 1.156 293 G CA 1.144 46.297 45.100 0.088 0.000 0.802 293 G HN 0.630 nan 8.290 nan 0.000 0.534 294 D N -0.840 119.677 120.400 0.196 0.000 2.929 294 D HA 0.087 4.727 4.640 -0.000 0.000 0.291 294 D C 1.890 178.358 176.300 0.279 0.000 1.086 294 D CA -0.322 53.856 54.000 0.298 0.000 0.971 294 D CB -0.651 40.443 40.800 0.490 0.000 1.275 294 D HN 0.147 nan 8.370 nan 0.000 0.469 295 F N 1.048 120.985 119.950 -0.021 0.000 2.102 295 F HA 0.091 4.618 4.527 -0.001 0.000 0.298 295 F C 0.768 176.460 175.800 -0.180 0.000 1.105 295 F CA 1.059 58.833 58.000 -0.376 0.000 1.239 295 F CB 0.311 38.769 39.000 -0.904 0.000 0.991 295 F HN -0.132 nan 8.300 nan 0.000 0.474 296 I N 2.355 122.915 120.570 -0.017 0.000 2.621 296 I HA 0.188 4.357 4.170 -0.000 0.000 0.276 296 I C -1.921 174.180 176.117 -0.026 0.000 1.118 296 I CA -2.007 59.258 61.300 -0.058 0.000 1.159 296 I CB 0.691 38.673 38.000 -0.030 0.000 1.357 296 I HN -0.041 nan 8.210 nan 0.000 0.513 297 P HA 0.074 nan 4.420 nan 0.000 0.249 297 P C 0.004 177.283 177.300 -0.035 0.000 1.241 297 P CA 0.813 63.904 63.100 -0.015 0.000 0.781 297 P CB 0.888 32.577 31.700 -0.017 0.000 1.088 298 D N -1.574 118.796 120.400 -0.050 0.000 2.808 298 D HA 0.056 4.696 4.640 -0.000 0.000 0.294 298 D C -1.546 174.719 176.300 -0.059 0.000 1.278 298 D CA -0.583 53.385 54.000 -0.052 0.000 0.756 298 D CB 0.363 41.123 40.800 -0.066 0.000 1.271 298 D HN -0.284 nan 8.370 nan 0.000 0.425 299 D N 0.536 120.904 120.400 -0.053 0.000 2.493 299 D HA 0.071 4.711 4.640 -0.000 0.000 0.240 299 D C -1.506 174.757 176.300 -0.061 0.000 1.142 299 D CA -1.016 52.950 54.000 -0.056 0.000 0.872 299 D CB 1.493 42.267 40.800 -0.044 0.000 1.173 299 D HN 0.050 nan 8.370 nan 0.000 0.467 300 P HA -0.189 nan 4.420 nan 0.000 0.217 300 P C 1.498 178.780 177.300 -0.031 0.000 1.148 300 P CA 0.468 63.525 63.100 -0.072 0.000 0.834 300 P CB 0.258 31.902 31.700 -0.093 0.000 0.783 301 V N -0.259 119.647 119.914 -0.013 0.000 2.720 301 V HA -0.180 3.939 4.120 -0.000 0.000 0.256 301 V C 1.331 177.515 176.094 0.150 0.000 1.082 301 V CA 1.904 64.232 62.300 0.047 0.000 1.101 301 V CB -0.870 30.963 31.823 0.017 0.000 0.693 301 V HN 0.159 nan 8.190 nan 0.000 0.479 302 N N -0.493 118.238 118.700 0.052 0.000 2.280 302 N HA 0.169 4.909 4.740 -0.000 0.000 0.192 302 N C 1.199 176.556 175.510 -0.256 0.000 1.109 302 N CA 0.365 53.409 53.050 -0.010 0.000 0.855 302 N CB 0.361 38.815 38.487 -0.055 0.000 0.974 302 N HN 0.430 nan 8.380 nan 0.000 0.482 303 L N 0.544 121.662 121.223 -0.176 0.000 2.592 303 L HA 0.071 4.411 4.340 -0.000 0.000 0.227 303 L C 1.741 178.453 176.870 -0.264 0.000 1.127 303 L CA -0.058 54.635 54.840 -0.245 0.000 0.884 303 L CB -0.566 41.397 42.059 -0.160 0.000 1.065 303 L HN 0.108 nan 8.230 nan 0.000 0.457 304 Y N -0.172 120.054 120.300 -0.123 0.000 2.219 304 Y HA -0.320 4.230 4.550 -0.000 0.000 0.283 304 Y C 2.461 178.300 175.900 -0.102 0.000 1.191 304 Y CA 0.894 58.933 58.100 -0.101 0.000 1.199 304 Y CB -1.246 37.163 38.460 -0.085 0.000 0.972 304 Y HN 0.071 nan 8.280 nan 0.000 0.527 305 A N 1.615 124.096 122.820 -0.564 0.000 1.958 305 A HA -0.304 4.015 4.320 -0.000 0.000 0.221 305 A C 2.087 179.578 177.584 -0.155 0.000 1.178 305 A CA 2.125 53.962 52.037 -0.334 0.000 0.642 305 A CB -0.897 17.832 19.000 -0.452 0.000 0.816 305 A HN 0.717 nan 8.150 nan 0.000 0.453 306 N N 0.035 118.638 118.700 -0.162 0.000 2.309 306 N HA -0.034 4.706 4.740 -0.000 0.000 0.182 306 N C 1.306 176.788 175.510 -0.047 0.000 1.018 306 N CA 1.220 54.203 53.050 -0.110 0.000 0.876 306 N CB -0.252 38.152 38.487 -0.138 0.000 0.972 306 N HN 0.508 nan 8.380 nan 0.000 0.434 307 A N 0.103 122.920 122.820 -0.006 0.000 2.460 307 A HA 0.523 4.843 4.320 -0.000 0.000 0.258 307 A C 1.871 179.522 177.584 0.111 0.000 1.300 307 A CA 0.128 52.206 52.037 0.068 0.000 0.913 307 A CB -0.017 19.025 19.000 0.069 0.000 1.031 307 A HN 0.203 nan 8.150 nan 0.000 0.512 308 A N -0.211 122.625 122.820 0.027 0.000 2.015 308 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 308 A C 1.002 178.586 177.584 -0.000 0.000 1.163 308 A CA 1.401 53.420 52.037 -0.029 0.000 0.646 308 A CB -0.058 18.940 19.000 -0.004 0.000 0.806 308 A HN 0.326 nan 8.150 nan 0.000 0.448 309 D N -0.473 119.952 120.400 0.042 0.000 2.643 309 D HA 0.306 4.946 4.640 -0.000 0.000 0.244 309 D C -0.876 175.480 176.300 0.093 0.000 1.257 309 D CA 0.209 54.241 54.000 0.053 0.000 0.831 309 D CB 0.828 41.643 40.800 0.025 0.000 1.043 309 D HN 0.050 nan 8.370 nan 0.000 0.488 310 V N 1.270 121.289 119.914 0.174 0.000 2.407 310 V HA 0.143 4.263 4.120 -0.000 0.000 0.291 310 V C -0.363 175.917 176.094 0.310 0.000 1.018 310 V CA -0.970 61.449 62.300 0.199 0.000 0.842 310 V CB 1.935 33.859 31.823 0.168 0.000 0.996 310 V HN -0.031 nan 8.190 nan 0.000 0.426 311 D N 4.105 124.650 120.400 0.242 0.000 2.458 311 D HA 0.269 4.909 4.640 -0.000 0.000 0.243 311 D C -0.848 175.739 176.300 0.479 0.000 1.146 311 D CA 0.629 54.837 54.000 0.347 0.000 0.877 311 D CB 0.478 41.384 40.800 0.176 0.000 1.176 311 D HN 0.498 nan 8.370 nan 0.000 0.461 312 Y N 2.260 122.651 120.300 0.152 0.000 2.442 312 Y HA 0.523 5.073 4.550 -0.000 0.000 0.344 312 Y C -1.369 174.393 175.900 -0.230 0.000 0.976 312 Y CA -0.964 57.055 58.100 -0.135 0.000 1.040 312 Y CB 0.952 38.995 38.460 -0.695 0.000 1.228 312 Y HN 0.320 nan 8.280 nan 0.000 0.451 313 I N 4.865 124.887 120.570 -0.915 0.000 2.509 313 I HA 0.819 4.989 4.170 -0.000 0.000 0.293 313 I C -0.907 174.625 176.117 -0.975 0.000 1.020 313 I CA -0.975 59.795 61.300 -0.883 0.000 1.088 313 I CB 1.934 39.264 38.000 -1.117 0.000 1.267 313 I HN 0.757 nan 8.210 nan 0.000 0.430 314 A N 4.038 126.497 122.820 -0.602 0.000 2.459 314 A HA 0.898 5.217 4.320 -0.000 0.000 0.296 314 A C -0.666 176.660 177.584 -0.429 0.000 1.039 314 A CA -0.374 51.387 52.037 -0.460 0.000 0.698 314 A CB 1.736 20.538 19.000 -0.330 0.000 1.261 314 A HN 0.850 nan 8.150 nan 0.000 0.405 315 G N -0.356 108.064 108.800 -0.633 0.000 2.788 315 G HA2 0.778 4.737 3.960 -0.000 0.000 0.293 315 G HA3 0.778 4.737 3.960 -0.000 0.000 0.293 315 G C -1.039 173.494 174.900 -0.611 0.000 1.392 315 G CA -0.387 43.902 45.100 -1.352 0.000 0.810 315 G HN 0.929 nan 8.290 nan 0.000 0.508 316 T N 0.227 114.522 114.554 -0.432 0.000 2.889 316 T HA 0.464 4.814 4.350 -0.000 0.000 0.315 316 T C -1.237 173.556 174.700 0.155 0.000 1.291 316 T CA -0.688 61.398 62.100 -0.024 0.000 1.028 316 T CB 1.602 70.469 68.868 -0.003 0.000 1.235 316 T HN 0.436 nan 8.240 nan 0.000 0.491 317 N N 2.349 121.163 118.700 0.189 0.000 2.456 317 N HA 0.196 4.935 4.740 -0.000 0.000 0.288 317 N C 0.863 176.467 175.510 0.156 0.000 1.059 317 N CA -0.597 52.619 53.050 0.276 0.000 0.946 317 N CB 1.247 39.909 38.487 0.290 0.000 1.150 317 N HN 0.777 nan 8.380 nan 0.000 0.479 318 D N 1.435 121.915 120.400 0.134 0.000 2.322 318 D HA -0.218 4.422 4.640 -0.000 0.000 0.210 318 D C 0.357 176.716 176.300 0.098 0.000 0.983 318 D CA 1.619 55.670 54.000 0.085 0.000 0.902 318 D CB 0.009 40.846 40.800 0.061 0.000 0.905 318 D HN 0.511 nan 8.370 nan 0.000 0.483 319 M N -0.152 119.518 119.600 0.117 0.000 3.002 319 M HA 0.143 4.623 4.480 -0.000 0.000 0.398 319 M C 0.182 176.579 176.300 0.160 0.000 1.366 319 M CA -0.410 54.977 55.300 0.144 0.000 0.824 319 M CB 1.279 33.964 32.600 0.141 0.000 1.414 319 M HN -0.261 nan 8.290 nan 0.000 0.501 320 D N 1.598 122.063 120.400 0.108 0.000 2.203 320 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 320 D C 1.853 178.284 176.300 0.218 0.000 0.997 320 D CA 1.753 55.742 54.000 -0.019 0.000 0.863 320 D CB 0.278 40.782 40.800 -0.493 0.000 0.928 320 D HN 0.611 nan 8.370 nan 0.000 0.458 321 G N -1.055 107.960 108.800 0.358 0.000 2.511 321 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.217 321 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.217 321 G C 1.347 176.494 174.900 0.410 0.000 1.133 321 G CA 0.759 46.149 45.100 0.483 0.000 0.792 321 G HN 0.396 nan 8.290 nan 0.000 0.539 322 H N 0.145 119.323 119.070 0.179 0.000 2.289 322 H HA -0.166 4.390 4.556 -0.000 0.000 0.294 322 H C 2.351 177.663 175.328 -0.028 0.000 1.095 322 H CA 1.914 57.993 56.048 0.051 0.000 1.256 322 H CB -0.158 29.570 29.762 -0.057 0.000 1.359 322 H HN 0.220 nan 8.280 nan 0.000 0.487 323 L N -0.287 120.994 121.223 0.097 0.000 2.043 323 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 323 L C 1.748 178.427 176.870 -0.318 0.000 1.075 323 L CA 1.800 56.533 54.840 -0.179 0.000 0.752 323 L CB -0.677 41.148 42.059 -0.390 0.000 0.891 323 L HN 0.352 nan 8.230 nan 0.000 0.432 324 F N -2.350 117.622 119.950 0.038 0.000 2.219 324 F HA -0.005 4.522 4.527 -0.000 0.000 0.294 324 F C 2.487 178.292 175.800 0.009 0.000 1.086 324 F CA 1.200 59.211 58.000 0.018 0.000 1.330 324 F CB -1.255 37.807 39.000 0.104 0.000 1.047 324 F HN -0.081 nan 8.300 nan 0.000 0.495 325 V N 0.685 120.722 119.914 0.205 0.000 2.469 325 V HA -0.183 3.937 4.120 -0.000 0.000 0.251 325 V C 2.345 178.446 176.094 0.013 0.000 1.064 325 V CA 2.364 64.723 62.300 0.099 0.000 1.066 325 V CB -1.034 30.835 31.823 0.078 0.000 0.667 325 V HN 0.411 nan 8.190 nan 0.000 0.461 326 G N -0.531 108.216 108.800 -0.088 0.000 2.450 326 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 326 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 326 G C 1.543 176.418 174.900 -0.042 0.000 1.130 326 G CA 1.253 46.279 45.100 -0.124 0.000 0.760 326 G HN 0.539 nan 8.290 nan 0.000 0.557 327 M N 0.429 120.017 119.600 -0.020 0.000 2.394 327 M HA 0.031 4.511 4.480 -0.000 0.000 0.264 327 M C 1.607 177.921 176.300 0.024 0.000 1.073 327 M CA 0.939 56.239 55.300 -0.000 0.000 1.111 327 M CB -0.093 32.505 32.600 -0.002 0.000 1.401 327 M HN 0.148 nan 8.290 nan 0.000 0.448 328 D N -0.070 120.355 120.400 0.041 0.000 2.355 328 D HA 0.047 4.687 4.640 -0.000 0.000 0.233 328 D C 0.531 176.857 176.300 0.043 0.000 0.997 328 D CA 0.991 55.020 54.000 0.049 0.000 0.920 328 D CB 0.329 41.167 40.800 0.063 0.000 1.063 328 D HN 0.102 nan 8.370 nan 0.000 0.465 329 V N 3.227 123.167 119.914 0.042 0.000 2.277 329 V HA 0.188 4.308 4.120 -0.000 0.000 0.269 329 V C -2.214 173.900 176.094 0.034 0.000 1.036 329 V CA -1.149 61.181 62.300 0.050 0.000 0.821 329 V CB 1.273 33.139 31.823 0.071 0.000 1.052 329 V HN -0.050 nan 8.190 nan 0.000 0.462 330 P HA 0.125 nan 4.420 nan 0.000 0.277 330 P C 0.169 177.490 177.300 0.035 0.000 1.617 330 P CA 0.461 63.574 63.100 0.021 0.000 0.829 330 P CB 0.029 31.744 31.700 0.025 0.000 1.774 331 A N 0.726 123.574 122.820 0.046 0.000 2.644 331 A HA 0.334 4.654 4.320 -0.000 0.000 0.343 331 A C 0.965 178.605 177.584 0.093 0.000 1.324 331 A CA -0.430 51.652 52.037 0.076 0.000 0.846 331 A CB -0.142 18.915 19.000 0.095 0.000 1.128 331 A HN 0.017 nan 8.150 nan 0.000 0.484 332 I N 0.646 121.254 120.570 0.065 0.000 2.641 332 I HA 0.016 4.185 4.170 -0.000 0.000 0.232 332 I C 1.559 177.724 176.117 0.081 0.000 1.060 332 I CA 0.898 62.228 61.300 0.050 0.000 1.417 332 I CB -0.396 37.640 38.000 0.059 0.000 1.227 332 I HN 0.767 nan 8.210 nan 0.000 0.434 333 N N 0.447 119.183 118.700 0.061 0.000 2.238 333 N HA 0.075 4.814 4.740 -0.000 0.000 0.235 333 N C -0.349 175.204 175.510 0.071 0.000 1.209 333 N CA -0.044 53.036 53.050 0.050 0.000 0.879 333 N CB 0.601 39.081 38.487 -0.012 0.000 1.136 333 N HN 0.056 nan 8.380 nan 0.000 0.517 334 S N 2.147 117.894 115.700 0.079 0.000 3.716 334 S HA -0.033 4.437 4.470 -0.000 0.000 0.254 334 S C 1.313 175.958 174.600 0.076 0.000 1.209 334 S CA -0.448 57.793 58.200 0.067 0.000 1.026 334 S CB -0.258 62.979 63.200 0.063 0.000 1.625 334 S HN 0.514 nan 8.310 nan 0.000 0.500 335 N N 3.553 122.296 118.700 0.072 0.000 2.184 335 N HA -0.240 4.500 4.740 -0.000 0.000 0.190 335 N C 0.652 176.199 175.510 0.062 0.000 1.011 335 N CA 1.345 54.439 53.050 0.074 0.000 0.867 335 N CB -0.221 38.303 38.487 0.062 0.000 0.993 335 N HN 0.506 nan 8.380 nan 0.000 0.433 336 K N 0.082 120.513 120.400 0.051 0.000 2.504 336 K HA 0.164 4.484 4.320 -0.000 0.000 0.199 336 K C -0.082 176.547 176.600 0.047 0.000 1.028 336 K CA 0.067 56.381 56.287 0.044 0.000 1.164 336 K CB 0.197 32.718 32.500 0.035 0.000 0.877 336 K HN 0.396 nan 8.250 nan 0.000 0.508 337 Q N 0.920 120.754 119.800 0.057 0.000 2.304 337 Q HA 0.223 4.563 4.340 -0.000 0.000 0.270 337 Q C -1.510 174.532 176.000 0.070 0.000 1.035 337 Q CA -0.704 55.134 55.803 0.060 0.000 0.781 337 Q CB 2.207 30.981 28.738 0.060 0.000 1.261 337 Q HN 0.017 nan 8.270 nan 0.000 0.444 338 D N 1.248 121.688 120.400 0.067 0.000 2.342 338 D HA 0.368 5.008 4.640 -0.000 0.000 0.243 338 D C -0.777 175.570 176.300 0.078 0.000 1.019 338 D CA -0.521 53.521 54.000 0.071 0.000 0.864 338 D CB 2.344 43.180 40.800 0.061 0.000 1.315 338 D HN 0.113 nan 8.370 nan 0.000 0.468 339 V N 2.008 121.971 119.914 0.082 0.000 2.364 339 V HA 0.301 4.421 4.120 -0.000 0.000 0.272 339 V C 0.844 176.998 176.094 0.100 0.000 1.036 339 V CA -0.465 61.894 62.300 0.098 0.000 0.880 339 V CB 0.955 32.839 31.823 0.101 0.000 0.991 339 V HN 0.719 nan 8.190 nan 0.000 0.460 340 T N 1.269 115.896 114.554 0.121 0.000 2.874 340 T HA 0.295 4.645 4.350 -0.000 0.000 0.281 340 T C 1.024 175.839 174.700 0.192 0.000 0.994 340 T CA -0.442 61.736 62.100 0.130 0.000 1.015 340 T CB 1.211 70.150 68.868 0.120 0.000 1.028 340 T HN 0.668 nan 8.240 nan 0.000 0.523 341 E N 0.613 120.937 120.200 0.206 0.000 2.058 341 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 341 E C 2.129 178.989 176.600 0.433 0.000 0.997 341 E CA 1.720 58.320 56.400 0.333 0.000 0.801 341 E CB -0.101 29.785 29.700 0.311 0.000 0.746 341 E HN 0.955 nan 8.360 nan 0.000 0.450 342 E N 1.291 121.656 120.200 0.275 0.000 2.153 342 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 342 E C 1.250 178.021 176.600 0.285 0.000 0.988 342 E CA 1.328 57.880 56.400 0.253 0.000 0.811 342 E CB -0.095 29.691 29.700 0.144 0.000 0.746 342 E HN 0.107 nan 8.360 nan 0.000 0.466 343 D N 0.461 121.011 120.400 0.250 0.000 2.117 343 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 343 D C 1.541 177.996 176.300 0.259 0.000 0.987 343 D CA 0.911 55.039 54.000 0.213 0.000 0.829 343 D CB -0.426 40.484 40.800 0.183 0.000 0.961 343 D HN 0.221 nan 8.370 nan 0.000 0.460 344 F N 0.210 120.275 119.950 0.191 0.000 2.146 344 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 344 F C 2.238 178.213 175.800 0.291 0.000 1.096 344 F CA 0.969 59.078 58.000 0.181 0.000 1.275 344 F CB -0.588 38.485 39.000 0.123 0.000 1.008 344 F HN -0.065 nan 8.300 nan 0.000 0.480 345 Y N 1.121 121.620 120.300 0.332 0.000 2.128 345 Y HA -0.258 4.292 4.550 -0.000 0.000 0.284 345 Y C 2.356 178.273 175.900 0.028 0.000 1.154 345 Y CA 2.131 60.349 58.100 0.198 0.000 1.149 345 Y CB -0.543 37.957 38.460 0.068 0.000 0.976 345 Y HN -0.085 nan 8.280 nan 0.000 0.505 346 K N 0.041 120.503 120.400 0.104 0.000 2.074 346 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 346 K C 1.981 178.528 176.600 -0.089 0.000 1.048 346 K CA 1.574 57.869 56.287 0.014 0.000 0.926 346 K CB -0.958 31.597 32.500 0.092 0.000 0.713 346 K HN 0.390 nan 8.250 nan 0.000 0.444 347 L N -0.046 121.111 121.223 -0.110 0.000 2.056 347 L HA -0.105 4.234 4.340 -0.000 0.000 0.207 347 L C 1.812 178.538 176.870 -0.240 0.000 1.078 347 L CA 1.380 56.132 54.840 -0.148 0.000 0.749 347 L CB -0.365 41.609 42.059 -0.142 0.000 0.901 347 L HN -0.040 nan 8.230 nan 0.000 0.433 348 V N -0.705 118.974 119.914 -0.392 0.000 2.255 348 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 348 V C 2.597 178.539 176.094 -0.253 0.000 1.051 348 V CA 1.936 64.016 62.300 -0.366 0.000 1.018 348 V CB -0.885 30.691 31.823 -0.412 0.000 0.641 348 V HN 0.531 nan 8.190 nan 0.000 0.445 349 S N 0.620 116.098 115.700 -0.370 0.000 2.359 349 S HA -0.224 4.245 4.470 -0.000 0.000 0.222 349 S C 2.095 176.624 174.600 -0.118 0.000 1.038 349 S CA 1.709 59.743 58.200 -0.276 0.000 1.051 349 S CB -1.033 61.988 63.200 -0.298 0.000 0.944 349 S HN 0.714 nan 8.310 nan 0.000 0.433 350 G N 1.033 109.770 108.800 -0.105 0.000 2.450 350 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.220 350 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.220 350 G C 1.303 176.194 174.900 -0.016 0.000 1.130 350 G CA 0.693 45.761 45.100 -0.053 0.000 0.760 350 G HN 0.451 nan 8.290 nan 0.000 0.557 351 L N 0.709 121.909 121.223 -0.039 0.000 2.313 351 L HA 0.089 4.429 4.340 -0.000 0.000 0.214 351 L C 1.937 178.835 176.870 0.047 0.000 1.119 351 L CA 1.337 56.162 54.840 -0.024 0.000 0.809 351 L CB 0.130 42.144 42.059 -0.076 0.000 0.933 351 L HN 0.346 nan 8.230 nan 0.000 0.449 352 T N -4.840 109.765 114.554 0.086 0.000 3.374 352 T HA 0.133 4.482 4.350 -0.000 0.000 0.267 352 T C 1.015 175.803 174.700 0.147 0.000 0.996 352 T CA -0.154 62.074 62.100 0.214 0.000 0.977 352 T CB 0.420 69.477 68.868 0.314 0.000 1.149 352 T HN -0.075 nan 8.240 nan 0.000 0.517 353 V N 2.517 122.485 119.914 0.090 0.000 2.343 353 V HA -0.147 3.973 4.120 -0.000 0.000 0.247 353 V C 2.667 178.799 176.094 0.063 0.000 1.051 353 V CA 2.788 65.123 62.300 0.059 0.000 1.036 353 V CB -0.833 31.016 31.823 0.044 0.000 0.654 353 V HN 0.888 nan 8.190 nan 0.000 0.451 354 T N -2.728 111.872 114.554 0.076 0.000 3.139 354 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 354 T C 1.287 175.996 174.700 0.015 0.000 1.164 354 T CA 0.903 63.032 62.100 0.048 0.000 1.075 354 T CB -0.251 68.648 68.868 0.051 0.000 0.904 354 T HN 0.455 nan 8.240 nan 0.000 0.540 355 K N 0.669 121.084 120.400 0.026 0.000 2.469 355 K HA 0.379 4.698 4.320 -0.000 0.000 0.204 355 K C 1.251 177.851 176.600 0.000 0.000 1.047 355 K CA 0.292 56.552 56.287 -0.045 0.000 1.072 355 K CB 0.800 33.198 32.500 -0.169 0.000 0.863 355 K HN 0.522 nan 8.250 nan 0.000 0.530 356 G N 1.669 110.487 108.800 0.029 0.000 2.749 356 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.242 356 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.242 356 G C 0.663 175.599 174.900 0.061 0.000 1.364 356 G CA -0.212 44.911 45.100 0.038 0.000 0.888 356 G HN 0.183 nan 8.290 nan 0.000 0.566 357 L N -0.208 121.060 121.223 0.075 0.000 2.456 357 L HA 0.022 4.362 4.340 -0.000 0.000 0.224 357 L C 2.967 179.919 176.870 0.137 0.000 1.148 357 L CA 1.469 56.383 54.840 0.124 0.000 0.825 357 L CB -0.490 41.665 42.059 0.161 0.000 0.937 357 L HN 0.652 nan 8.230 nan 0.000 0.450 358 R N 0.618 121.173 120.500 0.091 0.000 2.062 358 R HA -0.081 4.259 4.340 -0.000 0.000 0.229 358 R C 2.367 178.735 176.300 0.114 0.000 1.128 358 R CA 1.344 57.494 56.100 0.083 0.000 0.960 358 R CB -0.334 29.986 30.300 0.033 0.000 0.855 358 R HN 0.322 nan 8.270 nan 0.000 0.432 359 G N -0.110 108.752 108.800 0.103 0.000 2.404 359 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.215 359 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.215 359 G C 1.512 176.580 174.900 0.281 0.000 1.174 359 G CA 0.704 45.924 45.100 0.200 0.000 0.780 359 G HN 0.461 nan 8.290 nan 0.000 0.537 360 A N 1.152 124.080 122.820 0.180 0.000 1.917 360 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 360 A C 2.286 180.005 177.584 0.226 0.000 1.182 360 A CA 2.069 54.156 52.037 0.083 0.000 0.633 360 A CB -0.499 18.421 19.000 -0.134 0.000 0.819 360 A HN 0.355 nan 8.150 nan 0.000 0.448 361 N N -0.033 118.842 118.700 0.291 0.000 2.188 361 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 361 N C 1.869 177.551 175.510 0.287 0.000 1.018 361 N CA 1.415 54.659 53.050 0.323 0.000 0.858 361 N CB -0.470 38.148 38.487 0.218 0.000 0.989 361 N HN 0.462 nan 8.380 nan 0.000 0.426 362 A N 0.098 123.081 122.820 0.271 0.000 1.873 362 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 362 A C 2.359 180.093 177.584 0.249 0.000 1.186 362 A CA 1.831 54.045 52.037 0.294 0.000 0.616 362 A CB -1.029 18.188 19.000 0.362 0.000 0.823 362 A HN 0.267 nan 8.150 nan 0.000 0.442 363 T N -1.358 113.376 114.554 0.299 0.000 2.674 363 T HA -0.192 4.158 4.350 -0.000 0.000 0.265 363 T C 1.818 176.647 174.700 0.215 0.000 1.039 363 T CA 1.756 63.912 62.100 0.093 0.000 1.150 363 T CB -0.524 68.466 68.868 0.203 0.000 0.864 363 T HN 0.538 nan 8.240 nan 0.000 0.427 364 Y N 2.024 122.439 120.300 0.192 0.000 2.151 364 Y HA -0.223 4.327 4.550 -0.000 0.000 0.284 364 Y C 2.573 178.632 175.900 0.264 0.000 1.166 364 Y CA 2.034 60.327 58.100 0.320 0.000 1.163 364 Y CB -0.337 38.362 38.460 0.398 0.000 0.974 364 Y HN 0.324 nan 8.280 nan 0.000 0.511 365 E N -0.594 119.862 120.200 0.426 0.000 2.038 365 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 365 E C 2.328 178.927 176.600 -0.001 0.000 1.000 365 E CA 1.850 58.389 56.400 0.232 0.000 0.803 365 E CB -0.547 29.261 29.700 0.180 0.000 0.750 365 E HN 0.393 nan 8.360 nan 0.000 0.448 366 V N -0.059 119.750 119.914 -0.176 0.000 2.427 366 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 366 V C 1.676 177.545 176.094 -0.376 0.000 1.051 366 V CA 1.749 63.796 62.300 -0.421 0.000 1.048 366 V CB -0.503 30.751 31.823 -0.949 0.000 0.666 366 V HN 0.389 nan 8.190 nan 0.000 0.456 367 Y N 0.980 121.202 120.300 -0.130 0.000 2.516 367 Y HA -0.013 4.537 4.550 -0.000 0.000 0.291 367 Y C 2.393 178.188 175.900 -0.174 0.000 1.131 367 Y CA 1.419 59.513 58.100 -0.009 0.000 1.281 367 Y CB -0.208 38.364 38.460 0.186 0.000 1.013 367 Y HN 0.516 nan 8.280 nan 0.000 0.554 368 T N -4.103 110.369 114.554 -0.137 0.000 3.145 368 T HA 0.102 4.452 4.350 -0.000 0.000 0.255 368 T C 1.171 175.712 174.700 -0.265 0.000 1.039 368 T CA -0.030 61.901 62.100 -0.282 0.000 0.928 368 T CB -0.071 68.551 68.868 -0.410 0.000 1.029 368 T HN 0.285 nan 8.240 nan 0.000 0.554 369 E N 1.843 121.867 120.200 -0.293 0.000 2.097 369 E HA -0.035 4.315 4.350 -0.000 0.000 0.196 369 E C -1.521 174.577 176.600 -0.837 0.000 1.000 369 E CA 0.623 56.748 56.400 -0.459 0.000 0.804 369 E CB -1.199 28.268 29.700 -0.388 0.000 0.740 369 E HN 0.502 nan 8.360 nan 0.000 0.454 370 P HA -0.123 nan 4.420 nan 0.000 0.268 370 P C -0.988 175.984 177.300 -0.546 0.000 1.205 370 P CA 0.399 63.084 63.100 -0.692 0.000 0.771 370 P CB 0.241 31.728 31.700 -0.354 0.000 0.858 371 W N 2.131 123.405 121.300 -0.042 0.000 1.789 371 W HA 0.558 5.218 4.660 -0.000 0.000 0.333 371 W C 0.782 177.277 176.519 -0.040 0.000 0.724 371 W CA -0.474 56.849 57.345 -0.036 0.000 2.024 371 W CB -0.526 28.920 29.460 -0.024 0.000 2.064 371 W HN 0.321 nan 8.180 nan 0.000 0.390 372 A N -0.072 122.791 122.820 0.070 0.000 2.169 372 A HA 0.058 4.378 4.320 -0.000 0.000 0.210 372 A C 1.198 178.799 177.584 0.029 0.000 1.168 372 A CA 0.292 52.346 52.037 0.029 0.000 0.813 372 A CB -0.123 18.850 19.000 -0.045 0.000 0.861 372 A HN 0.489 nan 8.150 nan 0.000 0.481 373 Q N -0.879 118.944 119.800 0.038 0.000 0.461 373 Q HA -0.268 4.071 4.340 -0.000 0.000 0.354 373 Q C 0.210 176.216 176.000 0.011 0.000 1.083 373 Q CA 0.743 56.570 55.803 0.039 0.000 0.268 373 Q CB -0.575 28.206 28.738 0.072 0.000 5.584 373 Q HN 0.479 nan 8.270 nan 0.000 0.327 374 D N -0.588 119.827 120.400 0.024 0.000 2.154 374 D HA -0.196 4.443 4.640 -0.000 0.000 0.190 374 D C 1.761 178.073 176.300 0.019 0.000 1.003 374 D CA 2.477 56.491 54.000 0.023 0.000 0.849 374 D CB -0.369 40.453 40.800 0.036 0.000 0.942 374 D HN 0.555 nan 8.370 nan 0.000 0.446 375 S N -0.631 115.083 115.700 0.023 0.000 2.389 375 S HA -0.193 4.277 4.470 -0.000 0.000 0.231 375 S C 1.641 176.250 174.600 0.014 0.000 1.052 375 S CA 1.224 59.437 58.200 0.022 0.000 1.053 375 S CB -0.432 62.782 63.200 0.024 0.000 0.886 375 S HN 0.146 nan 8.310 nan 0.000 0.456 376 S N 1.002 116.702 115.700 0.001 0.000 3.681 376 S HA 0.334 4.804 4.470 -0.000 0.000 0.203 376 S C 0.821 175.394 174.600 -0.045 0.000 1.408 376 S CA -0.648 57.539 58.200 -0.023 0.000 0.942 376 S CB 0.292 63.469 63.200 -0.038 0.000 1.437 376 S HN 0.393 nan 8.310 nan 0.000 0.482 377 Q N 1.772 121.563 119.800 -0.015 0.000 2.364 377 Q HA -0.084 4.256 4.340 -0.000 0.000 0.209 377 Q C 1.782 177.755 176.000 -0.046 0.000 0.977 377 Q CA 1.608 57.405 55.803 -0.010 0.000 0.885 377 Q CB -0.026 28.733 28.738 0.036 0.000 0.941 377 Q HN 0.845 nan 8.270 nan 0.000 0.464 378 E N -1.312 118.841 120.200 -0.077 0.000 2.028 378 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 378 E C 1.456 177.806 176.600 -0.418 0.000 0.988 378 E CA 1.648 57.910 56.400 -0.229 0.000 0.799 378 E CB -0.029 29.549 29.700 -0.203 0.000 0.755 378 E HN 0.338 nan 8.360 nan 0.000 0.447 379 T N 0.895 115.275 114.554 -0.290 0.000 2.684 379 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 379 T C 1.847 176.371 174.700 -0.294 0.000 1.036 379 T CA 1.651 63.578 62.100 -0.289 0.000 1.148 379 T CB -0.236 68.517 68.868 -0.192 0.000 0.863 379 T HN 0.212 nan 8.240 nan 0.000 0.436 380 R N 1.018 121.378 120.500 -0.234 0.000 2.097 380 R HA -0.093 4.247 4.340 -0.000 0.000 0.236 380 R C 2.577 178.749 176.300 -0.214 0.000 1.135 380 R CA 1.621 57.576 56.100 -0.241 0.000 0.934 380 R CB -0.252 29.964 30.300 -0.141 0.000 0.846 380 R HN 0.367 nan 8.270 nan 0.000 0.431 381 K N 0.430 120.734 120.400 -0.159 0.000 2.152 381 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 381 K C 2.120 178.576 176.600 -0.241 0.000 1.048 381 K CA 0.904 57.142 56.287 -0.081 0.000 0.933 381 K CB 0.014 32.564 32.500 0.084 0.000 0.721 381 K HN 0.012 nan 8.250 nan 0.000 0.447 382 K N 0.425 120.519 120.400 -0.509 0.000 2.025 382 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 382 K C 2.347 178.813 176.600 -0.224 0.000 1.049 382 K CA 2.038 58.005 56.287 -0.535 0.000 0.933 382 K CB -0.470 31.689 32.500 -0.569 0.000 0.714 382 K HN 0.360 nan 8.250 nan 0.000 0.438 383 T N -0.754 113.672 114.554 -0.213 0.000 2.867 383 T HA -0.097 4.252 4.350 -0.000 0.000 0.268 383 T C 2.098 176.789 174.700 -0.014 0.000 1.057 383 T CA 1.102 63.121 62.100 -0.136 0.000 1.136 383 T CB -0.175 68.535 68.868 -0.264 0.000 0.874 383 T HN 0.093 nan 8.240 nan 0.000 0.466 384 M N 0.733 120.352 119.600 0.032 0.000 2.213 384 M HA -0.022 4.457 4.480 -0.000 0.000 0.263 384 M C 2.341 178.702 176.300 0.100 0.000 1.062 384 M CA 1.081 56.490 55.300 0.183 0.000 1.105 384 M CB -0.437 32.277 32.600 0.191 0.000 1.385 384 M HN 0.181 nan 8.290 nan 0.000 0.417 385 V N -0.107 119.858 119.914 0.085 0.000 2.407 385 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 385 V C 1.651 177.796 176.094 0.085 0.000 1.041 385 V CA 1.573 63.948 62.300 0.126 0.000 1.040 385 V CB -0.623 31.334 31.823 0.223 0.000 0.671 385 V HN 0.345 nan 8.190 nan 0.000 0.455 386 D N 0.250 120.671 120.400 0.036 0.000 2.104 386 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 386 D C 1.973 178.260 176.300 -0.023 0.000 0.994 386 D CA 1.254 55.258 54.000 0.008 0.000 0.830 386 D CB -0.406 40.383 40.800 -0.018 0.000 0.959 386 D HN 0.312 nan 8.370 nan 0.000 0.452 387 L N 1.463 122.627 121.223 -0.098 0.000 1.971 387 L HA -0.209 4.131 4.340 -0.000 0.000 0.215 387 L C 1.842 178.595 176.870 -0.194 0.000 1.072 387 L CA 1.920 56.582 54.840 -0.296 0.000 0.758 387 L CB -0.554 41.303 42.059 -0.336 0.000 0.889 387 L HN 0.016 nan 8.230 nan 0.000 0.433 388 E N -1.411 118.734 120.200 -0.091 0.000 2.268 388 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 388 E C 1.911 178.507 176.600 -0.007 0.000 0.995 388 E CA 1.385 57.742 56.400 -0.071 0.000 0.836 388 E CB -0.128 29.591 29.700 0.032 0.000 0.763 388 E HN 0.603 nan 8.360 nan 0.000 0.491 389 T N 1.264 115.867 114.554 0.081 0.000 2.812 389 T HA -0.107 4.243 4.350 -0.000 0.000 0.264 389 T C 1.328 176.079 174.700 0.086 0.000 1.042 389 T CA 1.073 63.294 62.100 0.202 0.000 1.140 389 T CB -0.136 68.827 68.868 0.159 0.000 0.870 389 T HN 0.070 nan 8.240 nan 0.000 0.445 390 D N 1.119 121.499 120.400 -0.034 0.000 2.078 390 D HA -0.003 4.637 4.640 -0.000 0.000 0.193 390 D C 2.149 178.265 176.300 -0.306 0.000 0.990 390 D CA 0.874 54.810 54.000 -0.106 0.000 0.827 390 D CB -0.372 40.411 40.800 -0.029 0.000 0.975 390 D HN 0.321 nan 8.370 nan 0.000 0.451 391 I N 0.470 120.756 120.570 -0.472 0.000 2.179 391 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 391 I C 2.339 178.157 176.117 -0.497 0.000 1.088 391 I CA 0.948 61.856 61.300 -0.654 0.000 1.357 391 I CB -0.173 37.432 38.000 -0.657 0.000 1.051 391 I HN -0.022 nan 8.210 nan 0.000 0.409 392 L N -1.371 119.566 121.223 -0.477 0.000 2.209 392 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 392 L C 1.772 178.127 176.870 -0.858 0.000 1.094 392 L CA 0.974 55.389 54.840 -0.708 0.000 0.790 392 L CB -0.180 41.251 42.059 -1.047 0.000 0.932 392 L HN 0.146 nan 8.230 nan 0.000 0.447 393 F N -2.561 117.374 119.950 -0.025 0.000 2.347 393 F HA 0.114 4.641 4.527 -0.000 0.000 0.266 393 F C 1.705 177.497 175.800 -0.014 0.000 0.884 393 F CA -0.287 57.737 58.000 0.039 0.000 1.123 393 F CB -0.568 38.481 39.000 0.080 0.000 1.098 393 F HN -0.275 nan 8.300 nan 0.000 0.803 394 L N 1.032 122.345 121.223 0.150 0.000 1.955 394 L HA -0.153 4.186 4.340 -0.000 0.000 0.213 394 L C 2.203 179.076 176.870 0.004 0.000 1.072 394 L CA 1.822 56.696 54.840 0.055 0.000 0.755 394 L CB -0.892 41.191 42.059 0.039 0.000 0.888 394 L HN 0.035 nan 8.230 nan 0.000 0.432 395 I N 0.027 120.575 120.570 -0.037 0.000 2.091 395 I HA -0.229 3.941 4.170 -0.000 0.000 0.239 395 I C 0.077 176.167 176.117 -0.045 0.000 1.061 395 I CA 1.827 63.109 61.300 -0.031 0.000 1.317 395 I CB -2.959 34.983 38.000 -0.096 0.000 1.031 395 I HN 0.221 nan 8.210 nan 0.000 0.401 396 P HA -0.125 nan 4.420 nan 0.000 0.216 396 P C 1.811 179.079 177.300 -0.054 0.000 1.153 396 P CA 1.889 64.924 63.100 -0.108 0.000 0.858 396 P CB -0.122 31.466 31.700 -0.186 0.000 0.789 397 T N -0.606 113.935 114.554 -0.021 0.000 2.777 397 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 397 T C 1.617 176.300 174.700 -0.028 0.000 1.040 397 T CA 1.216 63.313 62.100 -0.004 0.000 1.141 397 T CB -0.473 68.401 68.868 0.011 0.000 0.868 397 T HN 0.245 nan 8.240 nan 0.000 0.444 398 K N 0.789 121.175 120.400 -0.023 0.000 2.026 398 K HA 0.005 4.325 4.320 -0.000 0.000 0.208 398 K C 2.227 178.818 176.600 -0.014 0.000 1.048 398 K CA 1.199 57.474 56.287 -0.020 0.000 0.929 398 K CB -0.409 32.113 32.500 0.038 0.000 0.713 398 K HN 0.320 nan 8.250 nan 0.000 0.439 399 I N 1.245 121.816 120.570 0.002 0.000 2.208 399 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 399 I C 2.553 178.663 176.117 -0.011 0.000 1.097 399 I CA 1.148 62.450 61.300 0.003 0.000 1.363 399 I CB -0.379 37.620 38.000 -0.001 0.000 1.051 399 I HN 0.167 nan 8.210 nan 0.000 0.413 400 A N 0.534 123.345 122.820 -0.015 0.000 1.898 400 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 400 A C 2.429 180.021 177.584 0.015 0.000 1.181 400 A CA 1.965 53.999 52.037 -0.005 0.000 0.620 400 A CB -0.978 18.032 19.000 0.016 0.000 0.819 400 A HN 0.363 nan 8.150 nan 0.000 0.442 401 V N -2.317 117.580 119.914 -0.028 0.000 2.323 401 V HA -0.001 4.119 4.120 -0.000 0.000 0.244 401 V C 2.546 178.573 176.094 -0.112 0.000 1.041 401 V CA 1.663 63.895 62.300 -0.113 0.000 1.025 401 V CB -1.569 29.997 31.823 -0.427 0.000 0.656 401 V HN 0.492 nan 8.190 nan 0.000 0.451 402 A N 0.470 123.240 122.820 -0.083 0.000 1.851 402 A HA -0.323 3.997 4.320 -0.000 0.000 0.216 402 A C 2.338 179.915 177.584 -0.011 0.000 1.195 402 A CA 2.721 54.809 52.037 0.085 0.000 0.622 402 A CB -0.988 18.073 19.000 0.101 0.000 0.831 402 A HN 0.692 nan 8.150 nan 0.000 0.444 403 Q N -0.846 118.931 119.800 -0.038 0.000 2.096 403 Q HA -0.284 4.056 4.340 -0.000 0.000 0.208 403 Q C 2.056 178.019 176.000 -0.063 0.000 0.993 403 Q CA 2.493 58.246 55.803 -0.083 0.000 0.862 403 Q CB -0.535 28.194 28.738 -0.014 0.000 0.915 403 Q HN 0.833 nan 8.270 nan 0.000 0.416 404 H N -0.470 118.562 119.070 -0.063 0.000 2.357 404 H HA -0.115 4.441 4.556 -0.000 0.000 0.301 404 H C 1.855 177.167 175.328 -0.027 0.000 1.082 404 H CA 1.895 57.922 56.048 -0.035 0.000 1.342 404 H CB 0.174 29.889 29.762 -0.079 0.000 1.389 404 H HN 0.198 nan 8.280 nan 0.000 0.511 405 K N 1.225 121.650 120.400 0.042 0.000 2.026 405 K HA -0.116 4.203 4.320 -0.000 0.000 0.208 405 K C 2.533 179.059 176.600 -0.123 0.000 1.048 405 K CA 2.066 58.372 56.287 0.032 0.000 0.929 405 K CB -0.641 32.001 32.500 0.237 0.000 0.713 405 K HN 0.335 nan 8.250 nan 0.000 0.439 406 S N -0.253 115.301 115.700 -0.244 0.000 2.383 406 S HA -0.131 4.339 4.470 -0.000 0.000 0.227 406 S C 1.309 175.639 174.600 -0.451 0.000 1.026 406 S CA 0.943 58.901 58.200 -0.402 0.000 0.981 406 S CB -0.650 62.190 63.200 -0.599 0.000 0.818 406 S HN 0.443 nan 8.310 nan 0.000 0.472 407 H N 1.732 120.714 119.070 -0.147 0.000 2.519 407 H HA 0.624 5.180 4.556 -0.000 0.000 0.289 407 H C 0.611 175.868 175.328 -0.117 0.000 1.040 407 H CA 0.131 56.124 56.048 -0.092 0.000 1.165 407 H CB -0.674 29.071 29.762 -0.027 0.000 1.462 407 H HN 0.546 nan 8.280 nan 0.000 0.555 408 A N 1.021 123.758 122.820 -0.139 0.000 2.354 408 A HA 0.280 4.599 4.320 -0.000 0.000 0.269 408 A C 0.954 178.495 177.584 -0.071 0.000 1.109 408 A CA -0.368 51.559 52.037 -0.183 0.000 0.800 408 A CB 1.226 20.076 19.000 -0.250 0.000 1.045 408 A HN 0.276 nan 8.150 nan 0.000 0.489 409 K N 0.542 120.914 120.400 -0.046 0.000 2.230 409 K HA 0.035 4.354 4.320 -0.000 0.000 0.219 409 K C 1.677 178.272 176.600 -0.009 0.000 1.033 409 K CA 1.160 57.437 56.287 -0.017 0.000 0.937 409 K CB 0.055 32.551 32.500 -0.006 0.000 1.018 409 K HN 0.770 nan 8.250 nan 0.000 0.463 410 S N 0.117 115.819 115.700 0.003 0.000 2.526 410 S HA 0.335 4.805 4.470 -0.000 0.000 0.220 410 S C 0.604 175.227 174.600 0.038 0.000 1.017 410 S CA -0.580 57.630 58.200 0.016 0.000 0.930 410 S CB 0.543 63.753 63.200 0.017 0.000 0.856 410 S HN 0.238 nan 8.310 nan 0.000 0.497 411 A N 1.887 124.738 122.820 0.052 0.000 2.386 411 A HA 0.540 4.860 4.320 -0.000 0.000 0.248 411 A C 0.102 177.768 177.584 0.137 0.000 1.082 411 A CA -0.399 51.715 52.037 0.129 0.000 0.789 411 A CB -0.099 19.029 19.000 0.213 0.000 1.025 411 A HN 0.586 nan 8.150 nan 0.000 0.490 412 N N -0.916 117.903 118.700 0.197 0.000 2.477 412 N HA 0.649 5.389 4.740 -0.000 0.000 0.284 412 N C -0.993 174.591 175.510 0.123 0.000 1.182 412 N CA -0.271 52.835 53.050 0.093 0.000 0.949 412 N CB 1.663 40.257 38.487 0.178 0.000 1.204 412 N HN 0.593 nan 8.380 nan 0.000 0.526 413 T N 1.129 115.565 114.554 -0.196 0.000 2.928 413 T HA 0.443 4.793 4.350 -0.000 0.000 0.296 413 T C -1.631 172.812 174.700 -0.429 0.000 1.000 413 T CA -0.488 61.567 62.100 -0.075 0.000 0.989 413 T CB 0.409 69.387 68.868 0.183 0.000 1.005 413 T HN 0.293 nan 8.240 nan 0.000 0.442 414 Y N 0.420 120.610 120.300 -0.183 0.000 2.504 414 Y HA 0.703 5.252 4.550 -0.000 0.000 0.344 414 Y C 0.362 176.141 175.900 -0.201 0.000 1.023 414 Y CA -0.922 57.000 58.100 -0.297 0.000 1.020 414 Y CB 2.500 40.407 38.460 -0.922 0.000 1.282 414 Y HN 0.594 nan 8.280 nan 0.000 0.454 415 T N 1.901 116.617 114.554 0.270 0.000 2.916 415 T HA 0.761 5.110 4.350 -0.000 0.000 0.292 415 T C -1.800 173.254 174.700 0.590 0.000 1.064 415 T CA -0.498 61.729 62.100 0.211 0.000 1.011 415 T CB 1.095 69.957 68.868 -0.009 0.000 1.152 415 T HN 0.594 nan 8.240 nan 0.000 0.510 416 Y N 1.256 121.771 120.300 0.359 0.000 2.670 416 Y HA 0.831 5.381 4.550 -0.000 0.000 0.334 416 Y C -2.179 173.845 175.900 0.206 0.000 1.185 416 Y CA -1.731 56.545 58.100 0.293 0.000 1.053 416 Y CB 1.130 39.729 38.460 0.232 0.000 1.298 416 Y HN 0.592 nan 8.280 nan 0.000 0.459 417 L N 3.446 124.948 121.223 0.466 0.000 2.457 417 L HA 0.505 4.845 4.340 -0.000 0.000 0.266 417 L C -1.955 175.160 176.870 0.409 0.000 0.979 417 L CA -0.761 54.262 54.840 0.305 0.000 0.857 417 L CB 0.967 43.089 42.059 0.104 0.000 1.213 417 L HN 0.697 nan 8.230 nan 0.000 0.418 418 F N 4.363 124.515 119.950 0.337 0.000 2.445 418 F HA 0.479 5.006 4.527 -0.000 0.000 0.359 418 F C 0.764 176.605 175.800 0.069 0.000 1.101 418 F CA 0.544 58.637 58.000 0.155 0.000 1.177 418 F CB 1.210 40.311 39.000 0.169 0.000 1.110 418 F HN 0.656 nan 8.300 nan 0.000 0.522 419 S N 3.928 119.338 115.700 -0.483 0.000 2.843 419 S HA 0.192 4.661 4.470 -0.000 0.000 0.249 419 S C -0.180 174.114 174.600 -0.510 0.000 1.047 419 S CA -0.647 57.339 58.200 -0.356 0.000 1.042 419 S CB -0.146 62.976 63.200 -0.129 0.000 0.936 419 S HN 0.638 nan 8.310 nan 0.000 0.531 420 Q N 3.346 122.541 119.800 -1.008 0.000 2.263 420 Q HA 0.296 4.636 4.340 -0.000 0.000 0.270 420 Q C -2.555 173.274 176.000 -0.286 0.000 1.104 420 Q CA -1.632 53.781 55.803 -0.650 0.000 0.909 420 Q CB 0.470 28.691 28.738 -0.860 0.000 1.214 420 Q HN 0.314 nan 8.270 nan 0.000 0.400 421 P HA -0.089 nan 4.420 nan 0.000 0.261 421 P C -0.485 176.815 177.300 0.000 0.000 1.173 421 P CA 0.295 63.363 63.100 -0.053 0.000 0.760 421 P CB 0.524 32.199 31.700 -0.042 0.000 0.783 422 S N 3.120 118.834 115.700 0.023 0.000 2.488 422 S HA 0.143 4.613 4.470 -0.000 0.000 0.278 422 S C 0.843 175.450 174.600 0.012 0.000 1.259 422 S CA -0.369 57.864 58.200 0.055 0.000 1.061 422 S CB -0.099 63.149 63.200 0.081 0.000 0.910 422 S HN 0.191 nan 8.310 nan 0.000 0.491 423 R N 3.406 123.901 120.500 -0.008 0.000 2.480 423 R HA 0.313 4.652 4.340 -0.000 0.000 0.277 423 R C 0.159 176.397 176.300 -0.105 0.000 1.008 423 R CA -0.211 55.858 56.100 -0.052 0.000 1.090 423 R CB -0.387 29.881 30.300 -0.053 0.000 1.234 423 R HN 0.717 nan 8.270 nan 0.000 0.549 424 M N 1.922 121.443 119.600 -0.133 0.000 2.303 424 M HA 0.100 4.580 4.480 -0.000 0.000 0.350 424 M C -1.488 174.633 176.300 -0.299 0.000 1.518 424 M CA -1.620 53.507 55.300 -0.288 0.000 1.070 424 M CB 0.850 33.128 32.600 -0.538 0.000 1.910 424 M HN -0.042 nan 8.290 nan 0.000 0.458 425 P HA -0.157 nan 4.420 nan 0.000 0.221 425 P C 0.827 178.006 177.300 -0.201 0.000 1.145 425 P CA 1.513 64.499 63.100 -0.189 0.000 0.795 425 P CB -0.568 31.038 31.700 -0.156 0.000 0.775 426 I N -6.190 114.185 120.570 -0.324 0.000 3.810 426 I HA 0.204 4.374 4.170 -0.000 0.000 0.322 426 I C -0.094 175.963 176.117 -0.099 0.000 1.288 426 I CA -0.353 60.798 61.300 -0.248 0.000 1.143 426 I CB -0.568 37.271 38.000 -0.268 0.000 1.012 426 I HN -0.281 nan 8.210 nan 0.000 0.423 427 Y N 2.500 122.729 120.300 -0.119 0.000 2.549 427 Y HA 0.627 5.177 4.550 -0.000 0.000 0.339 427 Y C -2.309 173.420 175.900 -0.285 0.000 1.053 427 Y CA -3.901 54.091 58.100 -0.180 0.000 1.105 427 Y CB 0.555 38.872 38.460 -0.238 0.000 1.258 427 Y HN -0.084 nan 8.280 nan 0.000 0.478 428 P HA 0.107 nan 4.420 nan 0.000 0.272 428 P C -0.007 176.973 177.300 -0.534 0.000 1.223 428 P CA -0.203 62.571 63.100 -0.543 0.000 0.784 428 P CB 1.243 32.291 31.700 -1.086 0.000 0.923 429 K N 1.270 121.499 120.400 -0.285 0.000 2.286 429 K HA -0.123 4.197 4.320 -0.000 0.000 0.203 429 K C 1.646 178.237 176.600 -0.016 0.000 1.045 429 K CA 1.720 57.945 56.287 -0.104 0.000 0.935 429 K CB -0.224 32.281 32.500 0.008 0.000 0.737 429 K HN 0.696 nan 8.250 nan 0.000 0.460 430 W N -0.416 120.902 121.300 0.031 0.000 3.139 430 W HA 0.183 4.843 4.660 -0.000 0.000 0.260 430 W C 0.128 176.653 176.519 0.009 0.000 1.312 430 W CA -0.677 56.680 57.345 0.019 0.000 1.606 430 W CB -0.479 28.995 29.460 0.023 0.000 1.118 430 W HN -0.136 nan 8.180 nan 0.000 0.675 431 M N 2.243 121.805 119.600 -0.063 0.000 2.240 431 M HA 0.078 4.557 4.480 -0.000 0.000 0.346 431 M C 0.960 177.270 176.300 0.017 0.000 1.236 431 M CA 0.975 56.228 55.300 -0.079 0.000 0.986 431 M CB 0.167 32.621 32.600 -0.244 0.000 1.786 431 M HN 0.130 nan 8.290 nan 0.000 0.457 432 G N 2.213 111.032 108.800 0.033 0.000 3.008 432 G HA2 0.715 4.675 3.960 -0.000 0.000 0.181 432 G HA3 0.715 4.675 3.960 -0.000 0.000 0.181 432 G C -0.977 173.928 174.900 0.007 0.000 1.309 432 G CA -0.286 44.829 45.100 0.025 0.000 1.009 432 G HN 0.884 nan 8.290 nan 0.000 0.584 433 A N -0.220 122.626 122.820 0.043 0.000 2.409 433 A HA 0.517 4.837 4.320 -0.000 0.000 0.262 433 A C -0.203 177.451 177.584 0.117 0.000 1.113 433 A CA -0.018 52.102 52.037 0.139 0.000 0.790 433 A CB 0.459 19.644 19.000 0.308 0.000 1.046 433 A HN 0.521 nan 8.150 nan 0.000 0.496 434 D N -0.280 120.177 120.400 0.095 0.000 2.478 434 D HA 0.308 4.947 4.640 -0.000 0.000 0.263 434 D C -0.064 176.315 176.300 0.133 0.000 1.153 434 D CA -0.332 53.709 54.000 0.068 0.000 1.038 434 D CB 0.614 41.406 40.800 -0.013 0.000 1.120 434 D HN 0.623 nan 8.370 nan 0.000 0.564 435 H N 0.228 119.311 119.070 0.021 0.000 2.964 435 H HA 0.365 4.921 4.556 -0.000 0.000 0.328 435 H C 0.684 176.038 175.328 0.043 0.000 1.030 435 H CA 1.183 57.234 56.048 0.006 0.000 1.445 435 H CB 0.302 30.101 29.762 0.062 0.000 1.449 435 H HN 0.491 nan 8.280 nan 0.000 0.581 436 A N 3.998 126.606 122.820 -0.352 0.000 3.553 436 A HA -0.269 4.051 4.320 -0.000 0.000 0.261 436 A C 1.873 179.335 177.584 -0.202 0.000 1.096 436 A CA 1.234 53.058 52.037 -0.355 0.000 1.308 436 A CB -2.127 16.620 19.000 -0.422 0.000 1.084 436 A HN 0.742 nan 8.150 nan 0.000 0.914 437 D N 1.093 121.459 120.400 -0.057 0.000 2.309 437 D HA -0.087 4.553 4.640 -0.000 0.000 0.212 437 D C 1.720 178.035 176.300 0.025 0.000 0.968 437 D CA 1.322 55.362 54.000 0.068 0.000 0.882 437 D CB -0.306 40.643 40.800 0.248 0.000 0.918 437 D HN 0.875 nan 8.370 nan 0.000 0.503 438 D N 0.547 120.771 120.400 -0.293 0.000 2.149 438 D HA -0.139 4.501 4.640 -0.000 0.000 0.201 438 D C 2.271 178.444 176.300 -0.212 0.000 0.972 438 D CA 0.245 53.892 54.000 -0.589 0.000 0.835 438 D CB -0.574 39.787 40.800 -0.731 0.000 0.966 438 D HN 0.248 nan 8.370 nan 0.000 0.476 439 L N 1.307 122.440 121.223 -0.150 0.000 2.010 439 L HA -0.314 4.026 4.340 -0.000 0.000 0.219 439 L C 3.062 179.877 176.870 -0.092 0.000 1.077 439 L CA 2.341 57.133 54.840 -0.080 0.000 0.773 439 L CB -0.946 41.032 42.059 -0.136 0.000 0.892 439 L HN 0.194 nan 8.230 nan 0.000 0.436 440 Q N -0.619 119.072 119.800 -0.181 0.000 2.135 440 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 440 Q C 2.043 177.790 176.000 -0.422 0.000 0.981 440 Q CA 2.079 57.693 55.803 -0.314 0.000 0.856 440 Q CB -0.635 27.876 28.738 -0.379 0.000 0.902 440 Q HN 0.525 nan 8.270 nan 0.000 0.425 441 Y N 0.792 120.966 120.300 -0.210 0.000 2.243 441 Y HA -0.064 4.486 4.550 -0.000 0.000 0.293 441 Y C 2.554 178.263 175.900 -0.317 0.000 1.124 441 Y CA 0.800 58.750 58.100 -0.251 0.000 1.159 441 Y CB -0.195 38.155 38.460 -0.183 0.000 1.008 441 Y HN -0.089 nan 8.280 nan 0.000 0.527 442 V N -0.858 118.907 119.914 -0.248 0.000 2.343 442 V HA -0.277 3.842 4.120 -0.000 0.000 0.247 442 V C 1.563 177.378 176.094 -0.464 0.000 1.051 442 V CA 1.698 63.710 62.300 -0.480 0.000 1.036 442 V CB -0.650 30.837 31.823 -0.559 0.000 0.654 442 V HN 0.282 nan 8.190 nan 0.000 0.451 443 F N 0.562 120.356 119.950 -0.259 0.000 2.811 443 F HA 0.372 4.899 4.527 -0.000 0.000 0.301 443 F C 1.768 177.442 175.800 -0.211 0.000 1.151 443 F CA 0.628 58.474 58.000 -0.257 0.000 1.412 443 F CB -0.425 38.367 39.000 -0.347 0.000 1.113 443 F HN 0.275 nan 8.300 nan 0.000 0.579 444 G N 0.583 109.338 108.800 -0.074 0.000 2.225 444 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.264 444 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.264 444 G C 1.392 176.188 174.900 -0.173 0.000 1.060 444 G CA 0.281 45.359 45.100 -0.035 0.000 0.833 444 G HN 0.151 nan 8.290 nan 0.000 0.498 445 K N -0.135 120.049 120.400 -0.360 0.000 2.026 445 K HA -0.065 4.255 4.320 -0.000 0.000 0.208 445 K C 0.029 176.171 176.600 -0.762 0.000 1.048 445 K CA 1.681 57.688 56.287 -0.466 0.000 0.929 445 K CB -1.135 31.100 32.500 -0.441 0.000 0.713 445 K HN 0.380 nan 8.250 nan 0.000 0.439 446 P HA -0.133 nan 4.420 nan 0.000 0.220 446 P C 0.963 177.850 177.300 -0.690 0.000 1.144 446 P CA 1.201 63.515 63.100 -1.310 0.000 0.800 446 P CB -0.014 30.977 31.700 -1.181 0.000 0.772 447 F N -1.143 118.631 119.950 -0.294 0.000 2.315 447 F HA 0.234 4.760 4.527 -0.000 0.000 0.284 447 F C 2.464 178.185 175.800 -0.132 0.000 1.049 447 F CA 0.589 58.492 58.000 -0.162 0.000 1.323 447 F CB -1.550 37.374 39.000 -0.128 0.000 1.113 447 F HN -0.196 nan 8.300 nan 0.000 0.544 448 A N -0.333 122.514 122.820 0.046 0.000 1.883 448 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 448 A C 1.477 179.047 177.584 -0.022 0.000 1.186 448 A CA 2.260 54.294 52.037 -0.006 0.000 0.624 448 A CB -1.384 17.582 19.000 -0.057 0.000 0.822 448 A HN 0.341 nan 8.150 nan 0.000 0.444 449 T N -3.915 110.605 114.554 -0.057 0.000 3.504 449 T HA 0.435 4.785 4.350 -0.000 0.000 0.286 449 T C -1.640 173.090 174.700 0.050 0.000 1.530 449 T CA -0.840 61.259 62.100 -0.003 0.000 1.652 449 T CB 1.351 70.222 68.868 0.006 0.000 0.895 449 T HN 0.228 nan 8.240 nan 0.000 0.674 450 P HA -0.057 nan 4.420 nan 0.000 0.220 450 P C 0.728 178.115 177.300 0.144 0.000 1.144 450 P CA 0.071 63.212 63.100 0.068 0.000 0.800 450 P CB 0.128 31.852 31.700 0.039 0.000 0.772 451 L N 0.714 121.991 121.223 0.091 0.000 2.654 451 L HA 0.234 4.574 4.340 -0.000 0.000 0.271 451 L C 1.468 178.348 176.870 0.017 0.000 1.169 451 L CA 1.706 56.571 54.840 0.042 0.000 0.947 451 L CB -1.095 40.973 42.059 0.016 0.000 1.232 451 L HN 0.368 nan 8.230 nan 0.000 0.486 452 G N 2.749 111.525 108.800 -0.040 0.000 2.144 452 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 452 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 452 G C -0.257 174.444 174.900 -0.332 0.000 0.988 452 G CA -0.201 44.794 45.100 -0.174 0.000 0.659 452 G HN 0.474 nan 8.290 nan 0.000 0.522 453 Y N 0.482 120.731 120.300 -0.086 0.000 2.350 453 Y HA 0.720 5.270 4.550 -0.000 0.000 0.338 453 Y C 0.813 176.667 175.900 -0.076 0.000 0.961 453 Y CA -1.126 56.913 58.100 -0.102 0.000 1.100 453 Y CB 1.163 39.531 38.460 -0.154 0.000 1.179 453 Y HN 0.091 nan 8.280 nan 0.000 0.454 454 R N 1.119 121.663 120.500 0.074 0.000 2.726 454 R HA 0.347 4.687 4.340 -0.000 0.000 0.272 454 R C 0.954 177.285 176.300 0.051 0.000 1.097 454 R CA 0.729 56.853 56.100 0.041 0.000 1.198 454 R CB 0.810 31.124 30.300 0.023 0.000 1.114 454 R HN 0.920 nan 8.270 nan 0.000 0.550 455 A N 1.609 124.445 122.820 0.027 0.000 1.930 455 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 455 A C 1.961 179.553 177.584 0.013 0.000 1.175 455 A CA 1.709 53.756 52.037 0.017 0.000 0.627 455 A CB -0.516 18.494 19.000 0.017 0.000 0.815 455 A HN 0.819 nan 8.150 nan 0.000 0.443 456 Q N -0.251 119.563 119.800 0.022 0.000 2.152 456 Q HA -0.271 4.068 4.340 -0.000 0.000 0.206 456 Q C 0.908 176.939 176.000 0.051 0.000 0.985 456 Q CA 1.798 57.614 55.803 0.021 0.000 0.863 456 Q CB -0.718 28.028 28.738 0.014 0.000 0.904 456 Q HN 0.525 nan 8.270 nan 0.000 0.422 457 D N 0.950 121.417 120.400 0.111 0.000 2.178 457 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 457 D C 1.900 178.190 176.300 -0.016 0.000 0.980 457 D CA 1.080 55.214 54.000 0.223 0.000 0.842 457 D CB -0.163 40.830 40.800 0.322 0.000 0.948 457 D HN 0.374 nan 8.370 nan 0.000 0.472 458 R N -0.063 120.343 120.500 -0.157 0.000 2.193 458 R HA 0.033 4.373 4.340 -0.000 0.000 0.213 458 R C 2.094 178.323 176.300 -0.118 0.000 1.055 458 R CA 0.780 56.650 56.100 -0.384 0.000 0.995 458 R CB 0.011 30.145 30.300 -0.277 0.000 0.893 458 R HN 0.106 nan 8.270 nan 0.000 0.459 459 T N 0.544 115.082 114.554 -0.026 0.000 2.732 459 T HA -0.079 4.271 4.350 -0.000 0.000 0.261 459 T C 1.981 176.681 174.700 -0.000 0.000 1.040 459 T CA 1.167 63.272 62.100 0.008 0.000 1.145 459 T CB -0.151 68.715 68.868 -0.003 0.000 0.866 459 T HN -0.052 nan 8.240 nan 0.000 0.427 460 V N 1.450 121.357 119.914 -0.012 0.000 2.255 460 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 460 V C 2.751 178.851 176.094 0.011 0.000 1.051 460 V CA 2.126 64.401 62.300 -0.041 0.000 1.018 460 V CB -0.903 30.820 31.823 -0.168 0.000 0.641 460 V HN 0.502 nan 8.190 nan 0.000 0.445 461 S N -1.090 114.651 115.700 0.069 0.000 2.400 461 S HA -0.278 4.192 4.470 -0.000 0.000 0.232 461 S C 2.117 176.770 174.600 0.088 0.000 1.025 461 S CA 2.071 60.277 58.200 0.010 0.000 0.993 461 S CB -0.300 62.741 63.200 -0.264 0.000 0.808 461 S HN 0.585 nan 8.310 nan 0.000 0.478 462 K N 0.215 120.708 120.400 0.156 0.000 2.057 462 K HA 0.014 4.333 4.320 -0.000 0.000 0.206 462 K C 2.231 178.838 176.600 0.012 0.000 1.050 462 K CA 1.038 57.449 56.287 0.206 0.000 0.935 462 K CB -0.413 32.219 32.500 0.220 0.000 0.715 462 K HN 0.399 nan 8.250 nan 0.000 0.439 463 A N 1.261 124.057 122.820 -0.040 0.000 1.855 463 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 463 A C 2.153 179.667 177.584 -0.117 0.000 1.191 463 A CA 1.569 53.516 52.037 -0.149 0.000 0.613 463 A CB -0.482 18.483 19.000 -0.057 0.000 0.829 463 A HN 0.278 nan 8.150 nan 0.000 0.442 464 M N -0.596 118.960 119.600 -0.073 0.000 2.080 464 M HA -0.123 4.357 4.480 -0.000 0.000 0.260 464 M C 2.094 178.247 176.300 -0.244 0.000 1.068 464 M CA 1.617 56.764 55.300 -0.256 0.000 1.109 464 M CB -0.558 31.705 32.600 -0.562 0.000 1.342 464 M HN 0.395 nan 8.290 nan 0.000 0.405 465 I N -0.076 120.397 120.570 -0.162 0.000 2.361 465 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 465 I C 2.642 178.781 176.117 0.038 0.000 1.133 465 I CA 1.000 62.256 61.300 -0.074 0.000 1.413 465 I CB -0.570 37.414 38.000 -0.026 0.000 1.073 465 I HN 0.261 nan 8.210 nan 0.000 0.424 466 A N 0.406 123.222 122.820 -0.007 0.000 1.872 466 A HA -0.196 4.124 4.320 -0.000 0.000 0.214 466 A C 2.116 179.762 177.584 0.103 0.000 1.187 466 A CA 1.338 53.358 52.037 -0.027 0.000 0.614 466 A CB -0.857 18.027 19.000 -0.193 0.000 0.826 466 A HN 0.307 nan 8.150 nan 0.000 0.442 467 Y N -1.321 119.153 120.300 0.289 0.000 2.114 467 Y HA -0.239 4.311 4.550 -0.000 0.000 0.284 467 Y C 2.503 178.718 175.900 0.525 0.000 1.143 467 Y CA 0.872 59.256 58.100 0.474 0.000 1.135 467 Y CB -0.806 38.109 38.460 0.759 0.000 0.980 467 Y HN 0.451 nan 8.280 nan 0.000 0.499 468 W N 0.351 121.782 121.300 0.218 0.000 2.335 468 W HA -0.263 4.397 4.660 -0.000 0.000 0.311 468 W C 2.521 179.085 176.519 0.074 0.000 1.213 468 W CA 1.778 59.183 57.345 0.100 0.000 1.274 468 W CB -0.663 28.794 29.460 -0.005 0.000 1.148 468 W HN 0.224 nan 8.180 nan 0.000 0.498 469 T N -2.405 112.322 114.554 0.287 0.000 2.942 469 T HA -0.109 4.241 4.350 -0.000 0.000 0.265 469 T C 1.432 176.206 174.700 0.124 0.000 1.062 469 T CA 1.139 63.323 62.100 0.139 0.000 1.139 469 T CB -0.533 68.391 68.868 0.095 0.000 0.883 469 T HN -0.086 nan 8.240 nan 0.000 0.468 470 N N 0.952 119.752 118.700 0.167 0.000 2.084 470 N HA 0.015 4.755 4.740 -0.000 0.000 0.190 470 N C 1.387 176.959 175.510 0.102 0.000 1.030 470 N CA 1.085 54.213 53.050 0.130 0.000 0.849 470 N CB -0.735 37.842 38.487 0.150 0.000 1.012 470 N HN 0.467 nan 8.380 nan 0.000 0.423 471 F N 1.800 121.731 119.950 -0.032 0.000 2.095 471 F HA -0.113 4.413 4.527 -0.000 0.000 0.298 471 F C 2.109 177.851 175.800 -0.097 0.000 1.104 471 F CA 1.494 59.411 58.000 -0.138 0.000 1.232 471 F CB -0.527 38.305 39.000 -0.281 0.000 0.987 471 F HN 0.041 nan 8.300 nan 0.000 0.475 472 A N 0.024 122.804 122.820 -0.066 0.000 2.125 472 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 472 A C 2.310 179.796 177.584 -0.163 0.000 1.156 472 A CA 1.697 53.636 52.037 -0.163 0.000 0.671 472 A CB -0.792 18.170 19.000 -0.063 0.000 0.794 472 A HN 0.561 nan 8.150 nan 0.000 0.459 473 R N -1.123 119.308 120.500 -0.115 0.000 2.123 473 R HA -0.025 4.315 4.340 -0.000 0.000 0.209 473 R C 1.908 178.153 176.300 -0.091 0.000 1.078 473 R CA 1.612 57.667 56.100 -0.075 0.000 1.028 473 R CB 0.074 30.366 30.300 -0.014 0.000 0.939 473 R HN 0.535 nan 8.270 nan 0.000 0.463 474 T N -4.566 109.925 114.554 -0.105 0.000 2.975 474 T HA 0.283 4.633 4.350 -0.000 0.000 0.257 474 T C 1.193 175.815 174.700 -0.129 0.000 1.003 474 T CA 0.479 62.532 62.100 -0.080 0.000 0.932 474 T CB 1.188 70.047 68.868 -0.014 0.000 1.087 474 T HN 0.373 nan 8.240 nan 0.000 0.512 475 G N 1.307 109.921 108.800 -0.311 0.000 2.199 475 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.254 475 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.254 475 G C -0.269 174.635 174.900 0.006 0.000 0.982 475 G CA 0.159 45.024 45.100 -0.393 0.000 0.632 475 G HN 0.798 nan 8.290 nan 0.000 0.529 476 D N -0.044 120.369 120.400 0.021 0.000 2.408 476 D HA 0.606 5.245 4.640 -0.000 0.000 0.243 476 D C -1.153 175.150 176.300 0.006 0.000 1.075 476 D CA -2.317 51.713 54.000 0.049 0.000 0.832 476 D CB 1.901 42.764 40.800 0.104 0.000 1.162 476 D HN 0.004 nan 8.370 nan 0.000 0.515 477 P HA 0.004 nan 4.420 nan 0.000 0.220 477 P C 0.094 177.565 177.300 0.285 0.000 1.148 477 P CA 0.905 64.046 63.100 0.069 0.000 0.803 477 P CB 0.225 31.815 31.700 -0.183 0.000 0.782 478 N N -1.993 116.828 118.700 0.203 0.000 2.398 478 N HA 0.048 4.787 4.740 -0.000 0.000 0.188 478 N C -0.463 175.126 175.510 0.132 0.000 1.122 478 N CA 0.503 53.682 53.050 0.216 0.000 0.866 478 N CB 0.158 38.778 38.487 0.221 0.000 0.970 478 N HN 0.000 nan 8.380 nan 0.000 0.462 479 T N -0.332 114.286 114.554 0.107 0.000 3.071 479 T HA 0.696 5.046 4.350 -0.000 0.000 0.311 479 T C -0.012 174.728 174.700 0.066 0.000 1.042 479 T CA -0.675 61.469 62.100 0.075 0.000 1.028 479 T CB 1.927 70.835 68.868 0.068 0.000 1.068 479 T HN 0.247 nan 8.240 nan 0.000 0.451 480 G N 1.077 109.912 108.800 0.058 0.000 2.404 480 G HA2 0.111 4.071 3.960 -0.000 0.000 0.253 480 G HA3 0.111 4.071 3.960 -0.000 0.000 0.253 480 G C 0.110 175.061 174.900 0.085 0.000 1.253 480 G CA -0.539 44.604 45.100 0.072 0.000 0.917 480 G HN 0.666 nan 8.290 nan 0.000 0.480 481 H N 0.501 119.573 119.070 0.004 0.000 2.546 481 H HA 0.266 4.822 4.556 -0.000 0.000 0.277 481 H C 0.318 175.638 175.328 -0.014 0.000 1.004 481 H CA 1.651 57.696 56.048 -0.006 0.000 1.231 481 H CB 0.145 29.902 29.762 -0.008 0.000 1.382 481 H HN 0.265 nan 8.280 nan 0.000 0.580 482 S N -0.415 115.246 115.700 -0.066 0.000 2.634 482 S HA 0.274 4.744 4.470 -0.000 0.000 0.296 482 S C -0.519 174.026 174.600 -0.093 0.000 1.104 482 S CA -0.793 57.329 58.200 -0.130 0.000 0.920 482 S CB 2.313 65.473 63.200 -0.065 0.000 1.111 482 S HN 0.115 nan 8.310 nan 0.000 0.493 483 T N 2.019 116.507 114.554 -0.110 0.000 2.749 483 T HA 0.372 4.721 4.350 -0.000 0.000 0.295 483 T C -0.162 174.467 174.700 -0.119 0.000 0.936 483 T CA -0.243 61.804 62.100 -0.087 0.000 1.060 483 T CB 0.404 69.225 68.868 -0.079 0.000 0.904 483 T HN 0.328 nan 8.240 nan 0.000 0.500 484 V N 7.692 127.546 119.914 -0.100 0.000 2.498 484 V HA 0.178 4.298 4.120 -0.000 0.000 0.279 484 V C -0.662 175.381 176.094 -0.084 0.000 1.048 484 V CA -1.385 60.808 62.300 -0.177 0.000 0.967 484 V CB 1.431 33.246 31.823 -0.012 0.000 0.988 484 V HN 0.782 nan 8.190 nan 0.000 0.473 485 P HA 0.058 nan 4.420 nan 0.000 0.217 485 P C 0.130 177.464 177.300 0.056 0.000 1.151 485 P CA 0.884 63.974 63.100 -0.016 0.000 0.828 485 P CB 0.606 32.291 31.700 -0.024 0.000 0.788 486 A N -0.444 122.465 122.820 0.149 0.000 2.549 486 A HA 0.406 4.726 4.320 -0.000 0.000 0.297 486 A C -0.602 177.122 177.584 0.233 0.000 1.061 486 A CA -0.694 51.430 52.037 0.146 0.000 0.690 486 A CB 0.947 20.002 19.000 0.093 0.000 1.287 486 A HN -0.022 nan 8.150 nan 0.000 0.402 487 N N 1.242 120.049 118.700 0.178 0.000 2.492 487 N HA 0.025 4.765 4.740 -0.000 0.000 0.262 487 N C -1.227 174.445 175.510 0.270 0.000 1.202 487 N CA 0.258 53.445 53.050 0.229 0.000 0.926 487 N CB 0.509 39.096 38.487 0.167 0.000 1.078 487 N HN 0.630 nan 8.380 nan 0.000 0.454 488 W N 4.988 126.362 121.300 0.123 0.000 2.278 488 W HA 0.326 4.985 4.660 -0.000 0.000 0.317 488 W C -0.984 175.638 176.519 0.173 0.000 1.030 488 W CA -0.986 56.396 57.345 0.062 0.000 1.334 488 W CB 0.061 29.464 29.460 -0.095 0.000 1.215 488 W HN 0.419 nan 8.180 nan 0.000 0.405 489 D N 7.115 127.831 120.400 0.528 0.000 2.304 489 D HA 0.194 4.834 4.640 -0.000 0.000 0.250 489 D C -2.150 174.348 176.300 0.331 0.000 1.107 489 D CA -1.176 53.033 54.000 0.348 0.000 0.885 489 D CB 1.122 42.043 40.800 0.201 0.000 1.192 489 D HN 0.010 nan 8.370 nan 0.000 0.436 490 P HA -0.029 nan 4.420 nan 0.000 0.268 490 P C -0.346 176.919 177.300 -0.059 0.000 1.204 490 P CA -0.095 62.862 63.100 -0.239 0.000 0.768 490 P CB 0.201 31.741 31.700 -0.267 0.000 0.842 491 Y N 3.223 123.409 120.300 -0.189 0.000 2.578 491 Y HA 0.262 4.812 4.550 -0.000 0.000 0.339 491 Y C 0.545 176.409 175.900 -0.060 0.000 1.231 491 Y CA 1.023 59.087 58.100 -0.061 0.000 1.461 491 Y CB 0.308 38.749 38.460 -0.031 0.000 1.323 491 Y HN 0.406 nan 8.280 nan 0.000 0.590 492 T N 3.995 118.097 114.554 -0.754 0.000 2.952 492 T HA 0.345 4.695 4.350 -0.000 0.000 0.305 492 T C 0.355 174.594 174.700 -0.768 0.000 1.064 492 T CA -0.914 60.872 62.100 -0.523 0.000 1.008 492 T CB 0.880 69.578 68.868 -0.284 0.000 1.078 492 T HN 0.697 nan 8.240 nan 0.000 0.459 493 L N 0.814 121.798 121.223 -0.398 0.000 2.201 493 L HA -0.021 4.319 4.340 -0.000 0.000 0.212 493 L C 2.464 179.240 176.870 -0.156 0.000 1.105 493 L CA 1.193 55.900 54.840 -0.222 0.000 0.775 493 L CB -0.601 41.419 42.059 -0.064 0.000 0.913 493 L HN 0.700 nan 8.230 nan 0.000 0.440 494 E N 0.280 120.390 120.200 -0.151 0.000 2.077 494 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 494 E C 1.606 178.176 176.600 -0.050 0.000 0.989 494 E CA 1.434 57.792 56.400 -0.069 0.000 0.800 494 E CB -0.061 29.601 29.700 -0.065 0.000 0.746 494 E HN 0.463 nan 8.360 nan 0.000 0.452 495 D N -0.563 119.734 120.400 -0.171 0.000 2.379 495 D HA -0.043 4.597 4.640 -0.000 0.000 0.218 495 D C -0.072 175.945 176.300 -0.472 0.000 1.006 495 D CA 0.486 54.358 54.000 -0.213 0.000 0.893 495 D CB 0.115 40.818 40.800 -0.163 0.000 1.019 495 D HN -0.019 nan 8.370 nan 0.000 0.503 496 D N 2.146 122.275 120.400 -0.451 0.000 2.746 496 D HA -0.138 4.502 4.640 -0.000 0.000 0.241 496 D C -0.737 175.514 176.300 -0.081 0.000 1.140 496 D CA 0.164 53.992 54.000 -0.287 0.000 0.707 496 D CB -1.408 39.275 40.800 -0.195 0.000 1.034 496 D HN 0.314 nan 8.370 nan 0.000 0.423 497 N N 1.240 119.912 118.700 -0.047 0.000 2.455 497 N HA 0.406 5.146 4.740 -0.000 0.000 0.280 497 N C -0.284 175.424 175.510 0.330 0.000 1.055 497 N CA -0.499 52.599 53.050 0.080 0.000 0.961 497 N CB 0.938 39.429 38.487 0.006 0.000 1.121 497 N HN 0.376 nan 8.380 nan 0.000 0.476 498 Y N -0.424 119.976 120.300 0.166 0.000 2.457 498 Y HA 0.571 5.121 4.550 -0.000 0.000 0.343 498 Y C -1.180 174.774 175.900 0.089 0.000 0.994 498 Y CA -1.649 56.568 58.100 0.195 0.000 1.031 498 Y CB 1.012 39.562 38.460 0.150 0.000 1.246 498 Y HN 0.382 nan 8.280 nan 0.000 0.449 499 L N 3.744 125.009 121.223 0.070 0.000 2.313 499 L HA 0.369 4.709 4.340 -0.000 0.000 0.282 499 L C -0.040 176.793 176.870 -0.062 0.000 1.092 499 L CA -0.061 54.620 54.840 -0.264 0.000 0.831 499 L CB 0.833 42.335 42.059 -0.927 0.000 1.159 499 L HN 0.881 nan 8.230 nan 0.000 0.442 500 E N 5.435 125.590 120.200 -0.075 0.000 2.152 500 E HA 0.276 4.626 4.350 -0.000 0.000 0.285 500 E C -0.848 175.710 176.600 -0.071 0.000 1.043 500 E CA -0.325 56.116 56.400 0.068 0.000 0.839 500 E CB 0.531 30.284 29.700 0.088 0.000 1.069 500 E HN 0.667 nan 8.360 nan 0.000 0.399 501 I N 5.897 126.428 120.570 -0.064 0.000 2.325 501 I HA 0.237 4.406 4.170 -0.000 0.000 0.291 501 I C 0.006 175.955 176.117 -0.280 0.000 1.019 501 I CA -0.194 61.021 61.300 -0.142 0.000 1.302 501 I CB 0.380 38.337 38.000 -0.070 0.000 1.401 501 I HN 0.669 nan 8.210 nan 0.000 0.485 502 N N 5.023 123.575 118.700 -0.248 0.000 3.465 502 N HA 0.073 4.813 4.740 -0.000 0.000 0.332 502 N C 0.048 175.444 175.510 -0.190 0.000 1.492 502 N CA -0.849 52.012 53.050 -0.316 0.000 0.867 502 N CB 0.235 38.549 38.487 -0.289 0.000 1.899 502 N HN 0.345 nan 8.380 nan 0.000 0.502 503 K N -1.409 118.894 120.400 -0.162 0.000 2.217 503 K HA 0.019 4.338 4.320 -0.000 0.000 0.202 503 K C 0.052 176.613 176.600 -0.066 0.000 1.051 503 K CA 0.999 57.228 56.287 -0.097 0.000 0.952 503 K CB -0.120 32.334 32.500 -0.077 0.000 0.736 503 K HN 0.422 nan 8.250 nan 0.000 0.453 504 Q N 1.395 121.154 119.800 -0.069 0.000 3.122 504 Q HA 0.151 4.491 4.340 -0.000 0.000 0.360 504 Q C -0.600 175.374 176.000 -0.042 0.000 1.300 504 Q CA 0.015 55.789 55.803 -0.047 0.000 0.982 504 Q CB 0.448 29.160 28.738 -0.043 0.000 1.534 504 Q HN 0.332 nan 8.270 nan 0.000 0.474 505 M N 2.326 121.906 119.600 -0.034 0.000 2.522 505 M HA 0.041 4.521 4.480 -0.000 0.000 0.333 505 M C -0.012 176.286 176.300 -0.003 0.000 1.632 505 M CA 0.456 55.746 55.300 -0.015 0.000 1.293 505 M CB -0.897 31.710 32.600 0.012 0.000 1.857 505 M HN 0.202 nan 8.290 nan 0.000 0.456 506 D N 0.510 120.905 120.400 -0.008 0.000 2.812 506 D HA 0.345 4.985 4.640 -0.000 0.000 0.318 506 D C 0.594 176.894 176.300 -0.000 0.000 1.234 506 D CA -0.392 53.608 54.000 -0.000 0.000 0.989 506 D CB -0.019 40.777 40.800 -0.006 0.000 1.442 506 D HN 0.273 nan 8.370 nan 0.000 0.537 507 S N -0.579 115.124 115.700 0.005 0.000 2.402 507 S HA -0.233 4.236 4.470 -0.000 0.000 0.233 507 S C 0.925 175.518 174.600 -0.012 0.000 1.030 507 S CA 1.400 59.603 58.200 0.006 0.000 1.003 507 S CB -0.916 62.290 63.200 0.009 0.000 0.813 507 S HN 0.513 nan 8.310 nan 0.000 0.477 508 N N 0.795 119.482 118.700 -0.022 0.000 2.370 508 N HA 0.288 5.028 4.740 -0.000 0.000 0.198 508 N C 0.989 176.460 175.510 -0.065 0.000 1.156 508 N CA 0.249 53.277 53.050 -0.037 0.000 0.839 508 N CB 0.123 38.594 38.487 -0.027 0.000 0.989 508 N HN 0.297 nan 8.380 nan 0.000 0.468 509 S N 0.030 115.688 115.700 -0.071 0.000 2.461 509 S HA 0.137 4.607 4.470 -0.000 0.000 0.228 509 S C 0.613 175.107 174.600 -0.177 0.000 1.005 509 S CA 0.526 58.661 58.200 -0.109 0.000 0.942 509 S CB 0.087 63.228 63.200 -0.097 0.000 0.776 509 S HN 0.306 nan 8.310 nan 0.000 0.514 510 M N 2.691 122.201 119.600 -0.150 0.000 2.146 510 M HA 0.302 4.782 4.480 -0.000 0.000 0.352 510 M C -0.088 176.057 176.300 -0.257 0.000 1.343 510 M CA 0.596 55.788 55.300 -0.180 0.000 1.115 510 M CB 0.295 32.857 32.600 -0.064 0.000 1.657 510 M HN 0.068 nan 8.290 nan 0.000 0.471 511 K N 3.332 123.427 120.400 -0.508 0.000 2.346 511 K HA 0.889 5.209 4.320 -0.000 0.000 0.238 511 K C -1.022 175.324 176.600 -0.423 0.000 1.039 511 K CA -0.913 55.044 56.287 -0.550 0.000 0.861 511 K CB 2.208 34.202 32.500 -0.844 0.000 1.278 511 K HN 0.518 nan 8.250 nan 0.000 0.460 512 L N 0.689 121.829 121.223 -0.138 0.000 2.350 512 L HA 0.452 4.792 4.340 -0.000 0.000 0.260 512 L C -0.567 176.402 176.870 0.166 0.000 1.015 512 L CA -1.095 53.727 54.840 -0.030 0.000 0.821 512 L CB 1.555 43.576 42.059 -0.064 0.000 1.370 512 L HN 0.687 nan 8.230 nan 0.000 0.416 513 H N 0.690 119.904 119.070 0.240 0.000 2.604 513 H HA -0.155 4.401 4.556 -0.000 0.000 0.324 513 H C -0.591 174.874 175.328 0.227 0.000 1.068 513 H CA 0.048 56.219 56.048 0.205 0.000 1.091 513 H CB -0.752 29.086 29.762 0.128 0.000 1.611 513 H HN 0.294 nan 8.280 nan 0.000 0.387 514 L N 2.153 123.537 121.223 0.269 0.000 2.325 514 L HA 0.157 4.497 4.340 -0.000 0.000 0.284 514 L C 1.063 178.009 176.870 0.126 0.000 1.089 514 L CA 0.254 55.157 54.840 0.107 0.000 0.836 514 L CB 0.166 42.022 42.059 -0.339 0.000 1.184 514 L HN 0.468 nan 8.230 nan 0.000 0.444 515 R N 2.488 123.094 120.500 0.178 0.000 3.516 515 R HA -0.245 4.095 4.340 -0.000 0.000 0.271 515 R C 1.171 177.641 176.300 0.283 0.000 1.098 515 R CA 0.783 57.043 56.100 0.267 0.000 0.732 515 R CB -2.199 28.237 30.300 0.226 0.000 1.152 515 R HN 0.885 nan 8.270 nan 0.000 0.455 516 T N 1.084 115.772 114.554 0.224 0.000 2.653 516 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 516 T C 1.774 176.554 174.700 0.134 0.000 1.035 516 T CA 1.855 64.071 62.100 0.193 0.000 1.154 516 T CB -0.306 68.678 68.868 0.193 0.000 0.862 516 T HN 0.646 nan 8.240 nan 0.000 0.441 517 N N 0.616 119.345 118.700 0.048 0.000 2.272 517 N HA -0.173 4.567 4.740 -0.000 0.000 0.185 517 N C 1.459 176.882 175.510 -0.145 0.000 1.014 517 N CA 1.592 54.578 53.050 -0.107 0.000 0.870 517 N CB -0.808 37.516 38.487 -0.272 0.000 0.975 517 N HN 0.503 nan 8.380 nan 0.000 0.433 518 Y N 0.602 120.957 120.300 0.091 0.000 2.420 518 Y HA 0.212 4.762 4.550 -0.000 0.000 0.292 518 Y C 2.554 178.668 175.900 0.356 0.000 1.119 518 Y CA -0.005 58.208 58.100 0.189 0.000 1.229 518 Y CB -0.133 38.451 38.460 0.207 0.000 1.026 518 Y HN -0.005 nan 8.280 nan 0.000 0.554 519 L N 0.301 121.755 121.223 0.384 0.000 2.017 519 L HA -0.302 4.037 4.340 -0.000 0.000 0.208 519 L C 2.319 179.342 176.870 0.254 0.000 1.073 519 L CA 1.964 56.987 54.840 0.307 0.000 0.745 519 L CB -0.413 41.773 42.059 0.212 0.000 0.894 519 L HN 0.345 nan 8.230 nan 0.000 0.432 520 Q N -0.629 119.277 119.800 0.177 0.000 2.002 520 Q HA -0.308 4.032 4.340 -0.000 0.000 0.204 520 Q C 2.185 178.240 176.000 0.092 0.000 0.988 520 Q CA 2.562 58.428 55.803 0.104 0.000 0.843 520 Q CB -0.451 28.318 28.738 0.051 0.000 0.908 520 Q HN 0.465 nan 8.270 nan 0.000 0.420 521 F N -0.421 119.496 119.950 -0.055 0.000 2.043 521 F HA -0.266 4.261 4.527 -0.000 0.000 0.297 521 F C 1.437 177.161 175.800 -0.126 0.000 1.121 521 F CA 2.127 60.027 58.000 -0.167 0.000 1.199 521 F CB -0.604 38.178 39.000 -0.363 0.000 0.968 521 F HN 0.222 nan 8.300 nan 0.000 0.478 522 W N 0.477 121.832 121.300 0.091 0.000 2.363 522 W HA -0.158 4.501 4.660 -0.001 0.000 0.296 522 W C 2.842 179.354 176.519 -0.011 0.000 1.212 522 W CA 2.163 59.494 57.345 -0.023 0.000 1.260 522 W CB -1.073 28.443 29.460 0.093 0.000 1.131 522 W HN 0.174 nan 8.180 nan 0.000 0.530 523 T N -3.236 111.435 114.554 0.196 0.000 3.054 523 T HA 0.038 4.387 4.350 -0.000 0.000 0.259 523 T C 1.434 176.155 174.700 0.035 0.000 1.092 523 T CA 0.947 63.118 62.100 0.120 0.000 1.121 523 T CB -0.010 68.926 68.868 0.113 0.000 0.912 523 T HN 0.202 nan 8.240 nan 0.000 0.489 524 Q N 0.359 120.148 119.800 -0.020 0.000 2.527 524 Q HA 0.156 4.496 4.340 -0.000 0.000 0.194 524 Q C 2.513 178.445 176.000 -0.114 0.000 0.963 524 Q CA 0.788 56.562 55.803 -0.049 0.000 0.861 524 Q CB -0.163 28.557 28.738 -0.030 0.000 1.051 524 Q HN 0.328 nan 8.270 nan 0.000 0.605 525 T N 1.196 115.639 114.554 -0.184 0.000 2.569 525 T HA -0.237 4.113 4.350 -0.000 0.000 0.263 525 T C 1.645 176.150 174.700 -0.325 0.000 1.074 525 T CA 1.842 63.797 62.100 -0.242 0.000 1.176 525 T CB -0.696 68.011 68.868 -0.268 0.000 0.863 525 T HN 0.254 nan 8.240 nan 0.000 0.410 526 Y N 1.763 121.601 120.300 -0.770 0.000 2.040 526 Y HA -0.283 4.267 4.550 -0.000 0.000 0.275 526 Y C 2.775 178.515 175.900 -0.266 0.000 1.171 526 Y CA 2.033 59.749 58.100 -0.639 0.000 1.123 526 Y CB -0.676 37.257 38.460 -0.878 0.000 0.963 526 Y HN 0.111 nan 8.280 nan 0.000 0.493 527 Q N 0.047 119.772 119.800 -0.126 0.000 2.197 527 Q HA -0.175 4.165 4.340 -0.000 0.000 0.207 527 Q C 2.249 178.155 176.000 -0.157 0.000 0.984 527 Q CA 1.756 57.495 55.803 -0.107 0.000 0.869 527 Q CB -0.663 28.073 28.738 -0.004 0.000 0.906 527 Q HN 0.597 nan 8.270 nan 0.000 0.426 528 A N -0.871 121.856 122.820 -0.155 0.000 2.119 528 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 528 A C 0.307 177.806 177.584 -0.142 0.000 1.153 528 A CA 0.058 52.021 52.037 -0.124 0.000 0.692 528 A CB -0.153 18.789 19.000 -0.097 0.000 0.799 528 A HN 0.247 nan 8.150 nan 0.000 0.458 529 L N 1.247 122.343 121.223 -0.211 0.000 2.456 529 L HA 0.207 4.547 4.340 -0.000 0.000 0.272 529 L C -1.901 174.866 176.870 -0.172 0.000 1.189 529 L CA -1.969 52.754 54.840 -0.195 0.000 0.846 529 L CB -0.226 41.672 42.059 -0.268 0.000 1.111 529 L HN 0.144 nan 8.230 nan 0.000 0.475 530 P HA 0.062 nan 4.420 nan 0.000 0.268 530 P C -0.582 176.660 177.300 -0.098 0.000 1.204 530 P CA -0.214 62.833 63.100 -0.088 0.000 0.768 530 P CB 0.349 32.015 31.700 -0.057 0.000 0.842 531 T N 1.729 116.232 114.554 -0.084 0.000 2.922 531 T HA 0.169 4.519 4.350 -0.000 0.000 0.285 531 T C 1.000 175.675 174.700 -0.040 0.000 1.005 531 T CA -0.437 61.620 62.100 -0.072 0.000 1.061 531 T CB 0.764 69.595 68.868 -0.062 0.000 1.007 531 T HN 0.085 nan 8.240 nan 0.000 0.502 532 V N 3.489 123.387 119.914 -0.025 0.000 3.226 532 V HA 0.025 4.145 4.120 -0.000 0.000 0.385 532 V C 1.770 177.859 176.094 -0.009 0.000 1.268 532 V CA 0.324 62.617 62.300 -0.011 0.000 1.443 532 V CB -1.515 30.310 31.823 0.002 0.000 1.290 532 V HN 1.053 nan 8.190 nan 0.000 0.490 533 T N -0.314 114.231 114.554 -0.016 0.000 2.849 533 T HA -0.152 4.197 4.350 -0.000 0.000 0.270 533 T C 1.225 175.918 174.700 -0.013 0.000 1.066 533 T CA 0.861 62.953 62.100 -0.014 0.000 1.130 533 T CB -0.215 68.642 68.868 -0.019 0.000 0.864 533 T HN 0.580 nan 8.240 nan 0.000 0.481 534 S N 1.495 117.187 115.700 -0.014 0.000 3.959 534 S HA 0.133 4.603 4.470 -0.000 0.000 0.473 534 S C 0.906 175.497 174.600 -0.016 0.000 1.041 534 S CA 0.219 58.411 58.200 -0.014 0.000 1.364 534 S CB -0.339 62.855 63.200 -0.010 0.000 0.851 534 S HN 0.651 nan 8.310 nan 0.000 0.543 535 A N 2.418 125.226 122.820 -0.020 0.000 2.665 535 A HA 0.632 4.952 4.320 -0.000 0.000 0.268 535 A C 1.273 178.840 177.584 -0.028 0.000 1.044 535 A CA 0.447 52.468 52.037 -0.028 0.000 0.993 535 A CB -0.345 18.638 19.000 -0.029 0.000 1.229 535 A HN 1.589 nan 8.150 nan 0.000 0.576 536 G N 0.628 109.414 108.800 -0.022 0.000 2.675 536 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.312 536 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.312 536 G C 1.192 176.080 174.900 -0.019 0.000 1.186 536 G CA 1.051 46.139 45.100 -0.020 0.000 0.965 536 G HN 1.836 nan 8.290 nan 0.000 0.548 537 A N -0.654 122.153 122.820 -0.021 0.000 2.538 537 A HA 0.676 4.996 4.320 -0.000 0.000 0.269 537 A C 1.388 178.960 177.584 -0.020 0.000 1.231 537 A CA 1.424 53.451 52.037 -0.018 0.000 0.948 537 A CB 0.311 19.302 19.000 -0.016 0.000 1.110 537 A HN 1.157 nan 8.150 nan 0.000 0.529 538 S N 1.043 116.728 115.700 -0.026 0.000 3.033 538 S HA 0.309 4.779 4.470 -0.000 0.000 0.258 538 S C 0.164 174.751 174.600 -0.021 0.000 1.207 538 S CA 0.107 58.289 58.200 -0.030 0.000 1.248 538 S CB -0.943 62.228 63.200 -0.047 0.000 0.932 538 S HN 0.483 nan 8.310 nan 0.000 0.472 539 L N 0.187 121.401 121.223 -0.015 0.000 2.352 539 L HA 0.413 4.752 4.340 -0.000 0.000 0.269 539 L C 1.555 178.421 176.870 -0.006 0.000 1.034 539 L CA -0.681 54.153 54.840 -0.011 0.000 0.806 539 L CB 0.561 42.613 42.059 -0.011 0.000 1.244 539 L HN 0.131 nan 8.230 nan 0.000 0.447 540 L N 1.559 122.780 121.223 -0.003 0.000 2.030 540 L HA -0.234 4.105 4.340 -0.000 0.000 0.222 540 L C -0.653 176.217 176.870 -0.000 0.000 1.082 540 L CA 2.198 57.038 54.840 -0.000 0.000 0.785 540 L CB -0.749 41.309 42.059 -0.002 0.000 0.895 540 L HN 0.641 nan 8.230 nan 0.000 0.439 541 P HA 0.017 nan 4.420 nan 0.000 0.215 541 P C -1.875 175.424 177.300 -0.002 0.000 1.157 541 P CA 0.390 63.489 63.100 -0.002 0.000 0.856 541 P CB -0.823 30.874 31.700 -0.005 0.000 0.786 542 P HA 0.059 nan 4.420 nan 0.000 0.271 542 P C -0.053 177.244 177.300 -0.006 0.000 1.226 542 P CA 0.623 63.719 63.100 -0.006 0.000 0.765 542 P CB -0.066 31.628 31.700 -0.009 0.000 0.835 543 E N 2.062 122.259 120.200 -0.004 0.000 2.287 543 E HA -0.209 4.141 4.350 -0.000 0.000 0.229 543 E C -0.785 175.815 176.600 -0.000 0.000 1.194 543 E CA 0.655 57.053 56.400 -0.004 0.000 0.704 543 E CB -1.618 28.077 29.700 -0.009 0.000 1.216 543 E HN 0.519 nan 8.360 nan 0.000 0.381 544 D N -0.058 120.345 120.400 0.004 0.000 2.469 544 D HA 0.132 4.772 4.640 -0.000 0.000 0.215 544 D C 0.165 176.473 176.300 0.013 0.000 1.154 544 D CA -0.139 53.867 54.000 0.010 0.000 0.832 544 D CB 0.271 41.079 40.800 0.012 0.000 1.008 544 D HN 0.241 nan 8.370 nan 0.000 0.506 545 N N 0.517 119.223 118.700 0.009 0.000 2.735 545 N HA -0.277 4.463 4.740 -0.000 0.000 0.248 545 N C 0.351 175.868 175.510 0.012 0.000 1.083 545 N CA 1.176 54.233 53.050 0.010 0.000 0.703 545 N CB -1.749 36.746 38.487 0.013 0.000 1.005 545 N HN 0.433 nan 8.380 nan 0.000 0.550 546 S N -3.179 112.528 115.700 0.011 0.000 3.587 546 S HA 0.051 4.521 4.470 -0.000 0.000 0.337 546 S C 0.679 175.289 174.600 0.016 0.000 1.119 546 S CA 2.553 60.760 58.200 0.011 0.000 0.976 546 S CB -2.224 nan 63.200 nan 0.000 0.922 546 S HN 2.229 nan 8.310 nan 0.000 0.503 547 Q N 0.000 119.812 119.800 0.019 0.000 2.315 547 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 547 Q CA 0.000 55.818 55.803 0.026 0.000 1.022 547 Q CB 0.000 nan 28.738 nan 0.000 1.108 547 Q HN 0.000 nan 8.270 nan 0.000 0.481