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 2bce_1_A DATA FIRST_RESID 1 DATA SEQUENCE AKLGSVYTEG GFVEGVNKKL SLFGDSVDIF KGIPFAAAPK ALEKPERHPG DATA SEQUENCE WQGTLKAKSF KKRcLQATLT QDSTYGNEDc LYLNIWVPQG RKEVSHDLPV DATA SEQUENCE MIWIYGGAFL MGXXXXXXXL SNYLYDGEEI ATRGNVIVVT FNYRVGPLGF DATA SEQUENCE LSTGDSNLPG NYGLWDQHMA IAWVKRNIEA FGGDPDQITL 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 QATYEVYTEP WAQDSSQETR KKTMVDLETD ILFLIPTKIA DATA SEQUENCE VAQHKSHAKS ANTYTYLFSQ PSRMPIYPKW MGADHADDLQ YVFGKPFATP DATA SEQUENCE LGYRAQDRTV SKAMIAYWTN FARTGDPNTG HSTVPANWDP YTLEDDNYLE DATA SEQUENCE INKQMDSNSM KLHLRTNYLQ FWTQTYQALP TVTXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXPVVIGF 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 0.064 0.000 1.274 1 A CA 0.000 52.073 52.037 0.060 0.000 0.836 1 A CB 0.000 19.041 19.000 0.068 0.000 0.831 2 K N 1.335 121.776 120.400 0.068 0.000 2.557 2 K HA 0.702 5.021 4.320 -0.001 0.000 0.261 2 K C -1.490 175.167 176.600 0.095 0.000 0.932 2 K CA -0.846 55.487 56.287 0.076 0.000 0.829 2 K CB 1.250 33.780 32.500 0.050 0.000 1.358 2 K HN 0.555 nan 8.250 nan 0.000 0.430 3 L N 2.092 123.400 121.223 0.142 0.000 2.452 3 L HA 0.279 4.618 4.340 -0.001 0.000 0.267 3 L C 1.164 178.127 176.870 0.156 0.000 1.188 3 L CA 0.342 55.286 54.840 0.174 0.000 0.821 3 L CB 0.745 42.986 42.059 0.303 0.000 1.102 3 L HN 1.043 nan 8.230 nan 0.000 0.470 4 G N 0.618 109.501 108.800 0.138 0.000 3.380 4 G HA2 0.162 4.122 3.960 -0.001 0.000 0.188 4 G HA3 0.162 4.122 3.960 -0.001 0.000 0.188 4 G C -0.380 174.631 174.900 0.185 0.000 1.892 4 G CA -0.242 44.928 45.100 0.117 0.000 0.912 4 G HN 0.517 nan 8.290 nan 0.000 0.609 5 S N -0.327 115.473 115.700 0.167 0.000 2.499 5 S HA 0.536 5.005 4.470 -0.001 0.000 0.279 5 S C -0.282 174.514 174.600 0.326 0.000 1.219 5 S CA -0.417 57.939 58.200 0.261 0.000 1.062 5 S CB 1.670 64.964 63.200 0.156 0.000 0.978 5 S HN 0.335 nan 8.310 nan 0.000 0.489 6 V N 3.847 123.910 119.914 0.247 0.000 2.472 6 V HA 0.304 4.423 4.120 -0.001 0.000 0.290 6 V C -0.674 175.407 176.094 -0.023 0.000 1.037 6 V CA -0.811 61.452 62.300 -0.062 0.000 0.908 6 V CB 1.022 32.377 31.823 -0.780 0.000 0.985 6 V HN 0.817 nan 8.190 nan 0.000 0.454 7 Y N 4.063 124.166 120.300 -0.329 0.000 2.336 7 Y HA 0.536 5.085 4.550 -0.001 0.000 0.335 7 Y C 0.646 176.294 175.900 -0.421 0.000 1.046 7 Y CA -0.219 57.482 58.100 -0.664 0.000 1.198 7 Y CB 1.138 39.119 38.460 -0.799 0.000 1.182 7 Y HN 0.854 nan 8.280 nan 0.000 0.502 8 T N 0.886 114.866 114.554 -0.958 0.000 2.926 8 T HA 0.245 4.594 4.350 -0.001 0.000 0.289 8 T C 0.843 174.977 174.700 -0.943 0.000 1.054 8 T CA -0.288 61.443 62.100 -0.615 0.000 1.015 8 T CB 1.396 70.278 68.868 0.023 0.000 1.167 8 T HN 0.739 nan 8.240 nan 0.000 0.526 9 E N 0.374 120.239 120.200 -0.558 0.000 2.219 9 E HA -0.084 4.266 4.350 -0.001 0.000 0.198 9 E C 1.648 177.974 176.600 -0.457 0.000 0.998 9 E CA 1.465 57.608 56.400 -0.427 0.000 0.818 9 E CB -0.749 28.811 29.700 -0.232 0.000 0.741 9 E HN 0.812 nan 8.360 nan 0.000 0.477 10 G N 0.164 108.627 108.800 -0.562 0.000 3.088 10 G HA2 0.452 4.411 3.960 -0.001 0.000 0.217 10 G HA3 0.452 4.411 3.960 -0.001 0.000 0.217 10 G C 0.441 174.295 174.900 -1.744 0.000 1.159 10 G CA 0.129 44.689 45.100 -0.900 0.000 0.760 10 G HN 0.636 nan 8.290 nan 0.000 0.550 11 G N -0.981 106.945 108.800 -1.456 0.000 2.359 11 G HA2 0.208 4.167 3.960 -0.001 0.000 0.303 11 G HA3 0.208 4.167 3.960 -0.001 0.000 0.303 11 G C -1.079 173.485 174.900 -0.561 0.000 1.293 11 G CA -1.229 43.173 45.100 -1.164 0.000 0.964 11 G HN 0.082 nan 8.290 nan 0.000 0.531 12 F N 0.299 120.305 119.950 0.094 0.000 2.418 12 F HA 0.541 5.067 4.527 -0.001 0.000 0.341 12 F C 1.222 177.300 175.800 0.464 0.000 1.120 12 F CA 0.376 58.545 58.000 0.281 0.000 1.232 12 F CB 1.665 40.827 39.000 0.269 0.000 1.175 12 F HN 0.540 nan 8.300 nan 0.000 0.569 13 V N -0.037 120.199 119.914 0.537 0.000 2.876 13 V HA 0.701 4.820 4.120 -0.001 0.000 0.312 13 V C -1.036 175.333 176.094 0.457 0.000 1.085 13 V CA -0.834 61.745 62.300 0.466 0.000 0.945 13 V CB 1.808 33.906 31.823 0.460 0.000 1.017 13 V HN 0.829 nan 8.190 nan 0.000 0.428 14 E N 1.486 121.925 120.200 0.398 0.000 2.292 14 E HA 0.733 5.082 4.350 -0.001 0.000 0.272 14 E C -0.254 176.461 176.600 0.191 0.000 0.881 14 E CA -0.156 56.441 56.400 0.330 0.000 0.754 14 E CB 2.260 32.067 29.700 0.179 0.000 1.201 14 E HN 1.101 nan 8.360 nan 0.000 0.425 15 G N 1.825 110.575 108.800 -0.082 0.000 3.175 15 G HA2 0.657 4.617 3.960 -0.001 0.000 0.153 15 G HA3 0.657 4.617 3.960 -0.001 0.000 0.153 15 G C -0.466 174.230 174.900 -0.340 0.000 1.216 15 G CA 0.037 44.886 45.100 -0.419 0.000 0.943 15 G HN 0.633 nan 8.290 nan 0.000 0.611 16 V N -1.794 117.872 119.914 -0.414 0.000 3.040 16 V HA 0.711 4.830 4.120 -0.001 0.000 0.312 16 V C -1.007 174.941 176.094 -0.243 0.000 1.115 16 V CA -1.227 60.925 62.300 -0.246 0.000 0.998 16 V CB 1.998 33.718 31.823 -0.173 0.000 1.042 16 V HN 0.712 nan 8.190 nan 0.000 0.433 17 N N 2.169 120.790 118.700 -0.133 0.000 2.407 17 N HA 0.352 5.092 4.740 -0.001 0.000 0.277 17 N C -1.231 174.255 175.510 -0.039 0.000 0.995 17 N CA -0.523 52.478 53.050 -0.082 0.000 0.903 17 N CB 2.185 40.646 38.487 -0.043 0.000 1.218 17 N HN 0.955 nan 8.380 nan 0.000 0.487 18 K N 3.723 124.113 120.400 -0.017 0.000 2.263 18 K HA 0.229 4.548 4.320 -0.001 0.000 0.272 18 K C -0.456 176.159 176.600 0.024 0.000 1.033 18 K CA -0.562 55.732 56.287 0.011 0.000 0.884 18 K CB 0.812 33.332 32.500 0.033 0.000 1.107 18 K HN 0.412 nan 8.250 nan 0.000 0.460 19 K N 4.048 124.463 120.400 0.024 0.000 2.412 19 K HA 0.052 4.371 4.320 -0.001 0.000 0.281 19 K C 0.461 177.080 176.600 0.033 0.000 1.027 19 K CA -0.359 55.947 56.287 0.032 0.000 0.989 19 K CB 0.702 33.223 32.500 0.034 0.000 0.935 19 K HN 0.398 nan 8.250 nan 0.000 0.475 20 L N 1.451 122.692 121.223 0.030 0.000 2.556 20 L HA 0.062 4.401 4.340 -0.001 0.000 0.226 20 L C 0.460 177.337 176.870 0.011 0.000 1.089 20 L CA 0.742 55.590 54.840 0.014 0.000 0.864 20 L CB -0.235 41.820 42.059 -0.006 0.000 1.067 20 L HN 0.814 nan 8.230 nan 0.000 0.477 21 S N -2.980 112.750 115.700 0.049 0.000 2.636 21 S HA 0.351 4.820 4.470 -0.001 0.000 0.266 21 S C 0.297 175.008 174.600 0.185 0.000 1.147 21 S CA -0.697 57.567 58.200 0.107 0.000 0.815 21 S CB 0.347 63.573 63.200 0.044 0.000 1.119 21 S HN -0.097 nan 8.310 nan 0.000 0.470 22 L N -0.039 121.353 121.223 0.281 0.000 2.313 22 L HA 0.177 4.516 4.340 -0.001 0.000 0.214 22 L C 1.454 178.445 176.870 0.201 0.000 1.119 22 L CA 0.777 55.728 54.840 0.186 0.000 0.809 22 L CB -0.632 41.491 42.059 0.106 0.000 0.933 22 L HN 0.625 nan 8.230 nan 0.000 0.449 23 F N 0.629 120.585 119.950 0.010 0.000 2.583 23 F HA 0.013 4.540 4.527 -0.001 0.000 0.297 23 F C 1.969 177.778 175.800 0.014 0.000 1.131 23 F CA 0.859 58.865 58.000 0.011 0.000 1.467 23 F CB -0.844 38.162 39.000 0.011 0.000 1.097 23 F HN 0.219 nan 8.300 nan 0.000 0.586 24 G N -0.749 108.175 108.800 0.207 0.000 2.176 24 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.232 24 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.232 24 G C -0.049 174.912 174.900 0.101 0.000 0.986 24 G CA -0.132 45.041 45.100 0.121 0.000 0.643 24 G HN 0.299 nan 8.290 nan 0.000 0.522 25 D N 1.111 121.574 120.400 0.104 0.000 2.372 25 D HA 0.537 5.177 4.640 -0.001 0.000 0.243 25 D C 0.815 177.139 176.300 0.040 0.000 1.121 25 D CA 1.331 55.362 54.000 0.051 0.000 0.898 25 D CB 1.564 42.361 40.800 -0.005 0.000 1.202 25 D HN 0.748 nan 8.370 nan 0.000 0.428 26 S N -0.533 115.189 115.700 0.036 0.000 2.727 26 S HA 0.573 5.042 4.470 -0.001 0.000 0.278 26 S C -1.250 173.379 174.600 0.049 0.000 1.186 26 S CA -0.911 57.312 58.200 0.039 0.000 0.836 26 S CB 1.961 65.185 63.200 0.040 0.000 1.186 26 S HN 0.296 nan 8.310 nan 0.000 0.499 27 V N 1.150 121.099 119.914 0.058 0.000 2.612 27 V HA 0.487 4.606 4.120 -0.001 0.000 0.301 27 V C -1.912 174.213 176.094 0.051 0.000 1.059 27 V CA -0.542 61.813 62.300 0.092 0.000 0.886 27 V CB 1.736 33.648 31.823 0.148 0.000 1.007 27 V HN 0.963 nan 8.190 nan 0.000 0.426 28 D N 6.586 127.024 120.400 0.062 0.000 2.317 28 D HA 0.452 5.091 4.640 -0.001 0.000 0.252 28 D C -0.249 175.935 176.300 -0.193 0.000 1.174 28 D CA 0.454 54.420 54.000 -0.057 0.000 0.866 28 D CB 1.523 42.412 40.800 0.149 0.000 1.127 28 D HN 0.501 nan 8.370 nan 0.000 0.467 29 I N 3.000 123.274 120.570 -0.494 0.000 2.389 29 I HA 0.301 4.470 4.170 -0.001 0.000 0.288 29 I C -0.604 175.018 176.117 -0.824 0.000 0.999 29 I CA -0.747 60.149 61.300 -0.674 0.000 1.129 29 I CB 0.835 38.514 38.000 -0.535 0.000 1.288 29 I HN 0.056 nan 8.210 nan 0.000 0.444 30 F N 5.216 124.899 119.950 -0.445 0.000 2.467 30 F HA 0.568 5.094 4.527 -0.001 0.000 0.336 30 F C 0.038 175.591 175.800 -0.411 0.000 1.123 30 F CA -0.694 57.145 58.000 -0.269 0.000 0.964 30 F CB 1.649 40.612 39.000 -0.062 0.000 1.136 30 F HN 0.224 nan 8.300 nan 0.000 0.447 31 K N 1.025 121.305 120.400 -0.200 0.000 2.443 31 K HA 0.621 4.940 4.320 -0.001 0.000 0.252 31 K C 0.083 176.613 176.600 -0.117 0.000 0.933 31 K CA -0.823 55.301 56.287 -0.271 0.000 0.792 31 K CB 2.135 34.298 32.500 -0.561 0.000 1.185 31 K HN 0.829 nan 8.250 nan 0.000 0.425 32 G N 2.535 111.321 108.800 -0.023 0.000 2.204 32 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.244 32 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.244 32 G C -0.223 174.701 174.900 0.041 0.000 1.062 32 G CA -0.482 44.586 45.100 -0.053 0.000 0.798 32 G HN 0.511 nan 8.290 nan 0.000 0.496 33 I N 2.315 122.942 120.570 0.094 0.000 2.325 33 I HA 0.289 4.458 4.170 -0.001 0.000 0.291 33 I C -1.539 174.589 176.117 0.018 0.000 1.019 33 I CA -2.407 58.906 61.300 0.022 0.000 1.302 33 I CB 1.519 39.484 38.000 -0.058 0.000 1.401 33 I HN -0.031 nan 8.210 nan 0.000 0.485 34 P HA 0.052 nan 4.420 nan 0.000 0.276 34 P C -0.200 176.901 177.300 -0.331 0.000 1.230 34 P CA -0.049 62.846 63.100 -0.343 0.000 0.776 34 P CB 0.552 31.967 31.700 -0.474 0.000 0.888 35 F N 0.978 120.687 119.950 -0.403 0.000 2.678 35 F HA 0.735 5.261 4.527 -0.002 0.000 0.305 35 F C 0.174 175.924 175.800 -0.084 0.000 1.090 35 F CA -0.790 56.945 58.000 -0.442 0.000 1.272 35 F CB 0.190 38.839 39.000 -0.585 0.000 1.060 35 F HN 0.383 nan 8.300 nan 0.000 0.576 36 A N 0.645 123.241 122.820 -0.374 0.000 2.601 36 A HA 0.776 5.096 4.320 -0.001 0.000 0.291 36 A C -0.864 176.638 177.584 -0.136 0.000 1.075 36 A CA -0.651 51.278 52.037 -0.179 0.000 0.671 36 A CB 0.155 18.992 19.000 -0.272 0.000 1.277 36 A HN 0.597 nan 8.150 nan 0.000 0.417 37 A N 0.477 123.247 122.820 -0.083 0.000 2.425 37 A HA 0.624 4.944 4.320 -0.001 0.000 0.242 37 A C 0.902 178.370 177.584 -0.194 0.000 1.077 37 A CA 0.326 52.258 52.037 -0.175 0.000 0.781 37 A CB -0.222 18.674 19.000 -0.174 0.000 1.020 37 A HN 2.515 nan 8.150 nan 0.000 0.494 38 A N 3.697 126.405 122.820 -0.187 0.000 2.561 38 A HA 0.424 4.743 4.320 -0.001 0.000 0.251 38 A C -1.596 175.902 177.584 -0.144 0.000 1.062 38 A CA -0.485 51.454 52.037 -0.164 0.000 0.761 38 A CB -0.754 18.188 19.000 -0.097 0.000 0.986 38 A HN 0.690 nan 8.150 nan 0.000 0.510 39 P HA 0.134 nan 4.420 nan 0.000 0.271 39 P C -0.689 176.535 177.300 -0.126 0.000 1.216 39 P CA -0.112 62.911 63.100 -0.129 0.000 0.776 39 P CB 0.693 32.324 31.700 -0.116 0.000 0.881 40 K N 1.629 121.948 120.400 -0.136 0.000 2.249 40 K HA 0.376 4.695 4.320 -0.001 0.000 0.280 40 K C 0.345 176.833 176.600 -0.186 0.000 1.033 40 K CA -0.495 55.708 56.287 -0.140 0.000 0.946 40 K CB 1.077 33.498 32.500 -0.132 0.000 1.005 40 K HN 0.571 nan 8.250 nan 0.000 0.469 41 A N 3.481 126.195 122.820 -0.177 0.000 2.580 41 A HA 0.016 4.335 4.320 -0.001 0.000 0.244 41 A C 0.817 178.204 177.584 -0.328 0.000 1.045 41 A CA 0.174 52.079 52.037 -0.220 0.000 0.761 41 A CB -0.742 18.157 19.000 -0.167 0.000 0.962 41 A HN 0.906 nan 8.150 nan 0.000 0.512 42 L N 0.189 121.101 121.223 -0.518 0.000 3.843 42 L HA -0.195 4.144 4.340 -0.001 0.000 0.411 42 L C -0.011 176.265 176.870 -0.990 0.000 1.205 42 L CA 0.654 54.917 54.840 -0.960 0.000 0.945 42 L CB -1.853 39.878 42.059 -0.546 0.000 1.929 42 L HN 0.773 nan 8.230 nan 0.000 0.934 43 E N 0.100 119.896 120.200 -0.673 0.000 2.312 43 E HA 0.494 4.843 4.350 -0.001 0.000 0.267 43 E C -0.187 176.286 176.600 -0.211 0.000 0.894 43 E CA -0.977 55.213 56.400 -0.349 0.000 0.773 43 E CB 1.765 31.334 29.700 -0.220 0.000 1.241 43 E HN 0.091 nan 8.360 nan 0.000 0.432 44 K N 2.095 122.412 120.400 -0.139 0.000 2.380 44 K HA 0.130 4.449 4.320 -0.001 0.000 0.267 44 K C -1.961 174.563 176.600 -0.127 0.000 0.990 44 K CA -0.896 55.265 56.287 -0.209 0.000 0.946 44 K CB -0.088 32.070 32.500 -0.571 0.000 0.937 44 K HN 0.250 nan 8.250 nan 0.000 0.491 45 P HA 0.096 nan 4.420 nan 0.000 0.274 45 P C -0.995 176.299 177.300 -0.011 0.000 1.237 45 P CA -0.067 63.029 63.100 -0.008 0.000 0.793 45 P CB 0.902 32.654 31.700 0.086 0.000 0.977 46 E N 0.251 120.441 120.200 -0.016 0.000 2.369 46 E HA 0.384 4.733 4.350 -0.001 0.000 0.270 46 E C -0.381 176.241 176.600 0.036 0.000 0.909 46 E CA -1.043 55.360 56.400 0.004 0.000 0.775 46 E CB 1.894 31.578 29.700 -0.027 0.000 1.270 46 E HN 0.290 nan 8.360 nan 0.000 0.445 47 R N 1.181 121.725 120.500 0.073 0.000 2.640 47 R HA 0.013 4.352 4.340 -0.001 0.000 0.270 47 R C 0.316 176.691 176.300 0.125 0.000 1.024 47 R CA 0.060 56.235 56.100 0.125 0.000 1.085 47 R CB 0.174 30.547 30.300 0.123 0.000 0.963 47 R HN 0.407 nan 8.270 nan 0.000 0.426 48 H N 3.502 122.625 119.070 0.088 0.000 2.652 48 H HA 0.172 4.727 4.556 -0.001 0.000 0.349 48 H C -2.016 173.400 175.328 0.148 0.000 1.099 48 H CA -1.952 54.159 56.048 0.105 0.000 1.417 48 H CB 0.949 30.808 29.762 0.162 0.000 1.457 48 H HN 0.357 nan 8.280 nan 0.000 0.568 49 P HA 0.089 nan 4.420 nan 0.000 0.269 49 P C -0.188 177.349 177.300 0.394 0.000 1.215 49 P CA -0.196 63.004 63.100 0.167 0.000 0.780 49 P CB 0.435 32.155 31.700 0.032 0.000 0.898 50 G N 0.951 109.855 108.800 0.175 0.000 2.544 50 G HA2 0.383 4.343 3.960 -0.001 0.000 0.242 50 G HA3 0.383 4.343 3.960 -0.001 0.000 0.242 50 G C -1.209 173.814 174.900 0.205 0.000 1.247 50 G CA -0.532 44.586 45.100 0.030 0.000 0.840 50 G HN 0.620 nan 8.290 nan 0.000 0.578 51 W N 0.646 122.027 121.300 0.135 0.000 2.950 51 W HA 0.630 5.289 4.660 -0.002 0.000 0.340 51 W C -0.031 176.573 176.519 0.141 0.000 1.139 51 W CA -1.396 56.030 57.345 0.136 0.000 1.188 51 W CB 0.831 30.376 29.460 0.142 0.000 1.426 51 W HN 0.806 nan 8.180 nan 0.000 0.531 52 Q N 2.577 122.585 119.800 0.347 0.000 2.249 52 Q HA 0.678 5.017 4.340 -0.001 0.000 0.226 52 Q C 0.725 176.952 176.000 0.377 0.000 0.983 52 Q CA -0.116 55.846 55.803 0.265 0.000 0.930 52 Q CB 1.177 30.028 28.738 0.188 0.000 1.193 52 Q HN 1.379 nan 8.270 nan 0.000 0.508 53 G N 0.375 109.351 108.800 0.293 0.000 2.575 53 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.267 53 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.267 53 G C -0.755 174.384 174.900 0.397 0.000 1.264 53 G CA -0.031 45.231 45.100 0.270 0.000 0.935 53 G HN 0.845 nan 8.290 nan 0.000 0.568 54 T N 0.824 115.558 114.554 0.301 0.000 2.791 54 T HA 0.535 4.884 4.350 -0.001 0.000 0.288 54 T C 0.330 175.172 174.700 0.236 0.000 0.999 54 T CA -0.290 62.010 62.100 0.334 0.000 0.952 54 T CB 1.527 70.512 68.868 0.196 0.000 0.938 54 T HN 0.772 nan 8.240 nan 0.000 0.444 55 L N 3.202 124.573 121.223 0.248 0.000 2.418 55 L HA 0.473 4.813 4.340 -0.001 0.000 0.274 55 L C 0.683 177.576 176.870 0.039 0.000 1.135 55 L CA -0.368 54.444 54.840 -0.045 0.000 0.870 55 L CB -0.065 41.783 42.059 -0.352 0.000 1.154 55 L HN 0.712 nan 8.230 nan 0.000 0.462 56 K N 4.842 125.236 120.400 -0.010 0.000 2.262 56 K HA 0.557 4.876 4.320 -0.001 0.000 0.288 56 K C 0.191 176.775 176.600 -0.026 0.000 1.090 56 K CA 0.182 56.470 56.287 0.003 0.000 0.918 56 K CB 0.602 33.092 32.500 -0.016 0.000 1.139 56 K HN 0.826 nan 8.250 nan 0.000 0.462 57 A N 3.044 125.877 122.820 0.022 0.000 3.215 57 A HA 0.295 4.614 4.320 -0.001 0.000 0.269 57 A C 0.688 178.226 177.584 -0.078 0.000 1.517 57 A CA -0.322 51.716 52.037 0.002 0.000 1.221 57 A CB -0.274 18.816 19.000 0.150 0.000 1.160 57 A HN 0.724 nan 8.150 nan 0.000 0.620 58 K N 0.551 120.886 120.400 -0.108 0.000 2.373 58 K HA 0.160 4.479 4.320 -0.001 0.000 0.202 58 K C -0.109 176.393 176.600 -0.164 0.000 1.025 58 K CA 0.523 56.724 56.287 -0.142 0.000 1.115 58 K CB 0.318 32.759 32.500 -0.099 0.000 0.858 58 K HN 0.660 nan 8.250 nan 0.000 0.525 59 S N -0.567 115.026 115.700 -0.178 0.000 2.552 59 S HA 0.406 4.875 4.470 -0.001 0.000 0.272 59 S C -0.749 173.770 174.600 -0.135 0.000 1.150 59 S CA -1.037 57.066 58.200 -0.162 0.000 0.849 59 S CB 0.421 63.586 63.200 -0.059 0.000 1.113 59 S HN -0.019 nan 8.310 nan 0.000 0.458 60 F N 2.326 122.272 119.950 -0.007 0.000 2.572 60 F HA 0.379 4.905 4.527 -0.001 0.000 0.370 60 F C 1.373 177.126 175.800 -0.078 0.000 1.103 60 F CA 0.206 58.203 58.000 -0.004 0.000 1.286 60 F CB 0.580 39.615 39.000 0.058 0.000 1.105 60 F HN 0.387 nan 8.300 nan 0.000 0.583 61 K N 2.897 123.342 120.400 0.076 0.000 2.090 61 K HA 0.267 4.587 4.320 -0.001 0.000 0.250 61 K C -0.004 176.584 176.600 -0.019 0.000 1.004 61 K CA -0.813 55.395 56.287 -0.131 0.000 0.919 61 K CB 0.909 33.084 32.500 -0.543 0.000 1.045 61 K HN 0.526 nan 8.250 nan 0.000 0.471 62 K N 2.098 122.476 120.400 -0.036 0.000 2.436 62 K HA 0.012 4.331 4.320 -0.001 0.000 0.275 62 K C 0.593 177.199 176.600 0.010 0.000 0.999 62 K CA 0.386 56.670 56.287 -0.005 0.000 0.980 62 K CB 0.493 32.995 32.500 0.004 0.000 0.919 62 K HN 0.335 nan 8.250 nan 0.000 0.484 63 R N 0.796 121.270 120.500 -0.044 0.000 2.574 63 R HA 0.205 4.544 4.340 -0.001 0.000 0.266 63 R C 0.176 176.454 176.300 -0.037 0.000 1.157 63 R CA -0.836 55.214 56.100 -0.084 0.000 1.187 63 R CB 0.395 30.566 30.300 -0.216 0.000 1.179 63 R HN 0.608 nan 8.270 nan 0.000 0.600 64 c N 0.865 119.431 118.600 -0.056 0.000 2.639 64 c HA 0.162 4.732 4.570 -0.001 0.000 0.360 64 c C 0.969 175.037 174.090 -0.037 0.000 1.351 64 c CA -0.647 55.661 56.329 -0.035 0.000 2.408 64 c CB -0.435 42.053 42.510 -0.036 0.000 2.517 64 c HN 0.536 nan 8.230 nan 0.000 0.696 65 L N 2.525 123.731 121.223 -0.028 0.000 2.540 65 L HA 0.159 4.498 4.340 -0.001 0.000 0.276 65 L C 0.513 177.366 176.870 -0.028 0.000 1.212 65 L CA 0.888 55.714 54.840 -0.024 0.000 0.893 65 L CB -0.277 41.761 42.059 -0.035 0.000 1.138 65 L HN 0.864 nan 8.230 nan 0.000 0.491 66 Q N 3.294 123.092 119.800 -0.003 0.000 2.737 66 Q HA 0.884 5.224 4.340 -0.001 0.000 0.307 66 Q C -1.820 174.215 176.000 0.058 0.000 0.905 66 Q CA -1.148 54.634 55.803 -0.034 0.000 0.753 66 Q CB 2.209 30.911 28.738 -0.060 0.000 1.463 66 Q HN 0.547 nan 8.270 nan 0.000 0.455 67 A N 0.344 123.171 122.820 0.012 0.000 2.566 67 A HA 0.815 5.134 4.320 -0.001 0.000 0.292 67 A C -0.361 177.328 177.584 0.174 0.000 1.112 67 A CA -0.082 52.064 52.037 0.181 0.000 0.707 67 A CB 1.669 20.750 19.000 0.135 0.000 1.302 67 A HN 0.870 nan 8.150 nan 0.000 0.409 68 T N -1.130 113.552 114.554 0.214 0.000 2.814 68 T HA 0.475 4.824 4.350 -0.001 0.000 0.284 68 T C 1.186 176.002 174.700 0.194 0.000 0.998 68 T CA -0.359 61.817 62.100 0.127 0.000 0.935 68 T CB 0.117 69.001 68.868 0.028 0.000 1.167 68 T HN 0.452 nan 8.240 nan 0.000 0.545 69 L N 0.699 121.985 121.223 0.105 0.000 2.191 69 L HA -0.055 4.284 4.340 -0.001 0.000 0.212 69 L C 3.151 180.044 176.870 0.040 0.000 1.103 69 L CA 1.674 56.541 54.840 0.045 0.000 0.769 69 L CB -0.986 41.063 42.059 -0.017 0.000 0.908 69 L HN 1.015 nan 8.230 nan 0.000 0.438 70 T N -3.568 111.022 114.554 0.060 0.000 2.951 70 T HA -0.187 4.162 4.350 -0.001 0.000 0.268 70 T C 1.031 175.779 174.700 0.079 0.000 1.073 70 T CA 0.449 62.581 62.100 0.054 0.000 1.134 70 T CB -0.201 68.701 68.868 0.057 0.000 0.884 70 T HN 0.419 nan 8.240 nan 0.000 0.479 71 Q N 1.174 121.052 119.800 0.130 0.000 2.453 71 Q HA -0.212 4.128 4.340 -0.001 0.000 0.294 71 Q C 0.037 176.099 176.000 0.105 0.000 1.295 71 Q CA 0.829 56.723 55.803 0.150 0.000 0.853 71 Q CB -1.638 27.196 28.738 0.160 0.000 1.193 71 Q HN 0.943 nan 8.270 nan 0.000 0.461 72 D N -1.674 118.782 120.400 0.094 0.000 2.338 72 D HA 0.049 4.688 4.640 -0.001 0.000 0.208 72 D C 0.566 176.879 176.300 0.022 0.000 0.997 72 D CA 0.758 54.791 54.000 0.055 0.000 0.880 72 D CB 0.362 41.191 40.800 0.048 0.000 0.980 72 D HN 0.274 nan 8.370 nan 0.000 0.509 73 S N -0.969 114.738 115.700 0.012 0.000 2.579 73 S HA 0.610 5.080 4.470 -0.001 0.000 0.272 73 S C -0.202 174.270 174.600 -0.213 0.000 1.141 73 S CA -0.737 57.389 58.200 -0.124 0.000 0.843 73 S CB 1.455 64.526 63.200 -0.216 0.000 1.122 73 S HN 0.219 nan 8.310 nan 0.000 0.468 74 T N -0.505 113.869 114.554 -0.299 0.000 2.902 74 T HA 0.717 5.066 4.350 -0.001 0.000 0.280 74 T C -1.182 173.150 174.700 -0.612 0.000 0.992 74 T CA -0.397 61.548 62.100 -0.259 0.000 1.015 74 T CB 0.267 69.058 68.868 -0.127 0.000 1.044 74 T HN 0.644 nan 8.240 nan 0.000 0.520 75 Y N -0.672 119.611 120.300 -0.029 0.000 2.524 75 Y HA 0.640 5.189 4.550 -0.002 0.000 0.347 75 Y C 0.898 176.772 175.900 -0.042 0.000 1.005 75 Y CA 0.100 58.181 58.100 -0.032 0.000 1.025 75 Y CB 2.234 40.675 38.460 -0.031 0.000 1.275 75 Y HN 1.356 nan 8.280 nan 0.000 0.460 76 G N 2.080 110.931 108.800 0.084 0.000 2.512 76 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.210 76 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.210 76 G C -1.452 173.448 174.900 0.001 0.000 1.295 76 G CA -0.359 44.759 45.100 0.030 0.000 0.934 76 G HN 0.869 nan 8.290 nan 0.000 0.554 77 N N -0.799 117.900 118.700 -0.000 0.000 2.935 77 N HA 0.165 4.904 4.740 -0.001 0.000 0.248 77 N C 0.749 176.258 175.510 -0.002 0.000 1.276 77 N CA 0.073 53.120 53.050 -0.004 0.000 0.906 77 N CB 1.399 39.891 38.487 0.009 0.000 1.564 77 N HN 0.637 nan 8.380 nan 0.000 0.500 78 E N -0.105 120.085 120.200 -0.017 0.000 2.153 78 E HA -0.152 4.198 4.350 -0.001 0.000 0.194 78 E C -0.347 176.241 176.600 -0.020 0.000 0.988 78 E CA 0.915 57.297 56.400 -0.030 0.000 0.811 78 E CB 0.085 29.757 29.700 -0.047 0.000 0.746 78 E HN 0.355 nan 8.360 nan 0.000 0.466 79 D N 0.204 120.611 120.400 0.012 0.000 2.435 79 D HA 0.000 4.640 4.640 -0.001 0.000 0.230 79 D C 0.057 176.453 176.300 0.161 0.000 1.215 79 D CA -0.224 53.807 54.000 0.051 0.000 0.947 79 D CB 0.058 40.909 40.800 0.085 0.000 1.048 79 D HN 0.150 nan 8.370 nan 0.000 0.512 80 c N 2.332 120.977 118.600 0.075 0.000 4.015 80 c HA 0.333 4.902 4.570 -0.001 0.000 0.323 80 c C 0.834 174.958 174.090 0.057 0.000 1.724 80 c CA -0.621 55.812 56.329 0.174 0.000 1.828 80 c CB -1.171 41.388 42.510 0.081 0.000 3.083 80 c HN 0.443 nan 8.230 nan 0.000 0.640 81 L N 2.466 123.477 121.223 -0.355 0.000 2.382 81 L HA 0.332 4.671 4.340 -0.001 0.000 0.259 81 L C -0.890 175.381 176.870 -0.998 0.000 1.291 81 L CA 0.716 55.155 54.840 -0.668 0.000 1.176 81 L CB -0.934 40.560 42.059 -0.942 0.000 1.373 81 L HN 0.392 nan 8.230 nan 0.000 0.426 82 Y N 1.635 121.956 120.300 0.034 0.000 2.536 82 Y HA 0.647 5.197 4.550 -0.001 0.000 0.347 82 Y C -0.021 176.128 175.900 0.415 0.000 1.000 82 Y CA -1.242 56.938 58.100 0.133 0.000 1.051 82 Y CB 1.993 40.483 38.460 0.050 0.000 1.259 82 Y HN 0.181 nan 8.280 nan 0.000 0.468 83 L N -0.062 121.413 121.223 0.420 0.000 2.309 83 L HA 0.782 5.121 4.340 -0.001 0.000 0.261 83 L C -1.237 175.760 176.870 0.212 0.000 1.021 83 L CA -1.150 53.885 54.840 0.326 0.000 0.823 83 L CB 1.824 43.917 42.059 0.058 0.000 1.366 83 L HN 0.502 nan 8.230 nan 0.000 0.423 84 N N 1.015 119.884 118.700 0.281 0.000 2.229 84 N HA 0.749 5.488 4.740 -0.001 0.000 0.298 84 N C -1.387 174.200 175.510 0.128 0.000 1.114 84 N CA -0.269 52.866 53.050 0.140 0.000 0.776 84 N CB 2.818 41.485 38.487 0.299 0.000 1.501 84 N HN 0.634 nan 8.380 nan 0.000 0.474 85 I N 0.119 120.602 120.570 -0.145 0.000 2.619 85 I HA 0.432 4.601 4.170 -0.001 0.000 0.292 85 I C -0.952 175.099 176.117 -0.110 0.000 1.100 85 I CA -0.681 60.633 61.300 0.022 0.000 1.043 85 I CB 2.570 40.487 38.000 -0.138 0.000 1.239 85 I HN 0.251 nan 8.210 nan 0.000 0.420 86 W N 5.271 126.690 121.300 0.198 0.000 2.538 86 W HA 0.587 5.246 4.660 -0.002 0.000 0.322 86 W C -1.281 175.336 176.519 0.163 0.000 1.028 86 W CA -0.703 56.742 57.345 0.167 0.000 1.228 86 W CB 2.287 31.811 29.460 0.106 0.000 1.356 86 W HN 0.062 nan 8.180 nan 0.000 0.452 87 V N 5.323 125.436 119.914 0.332 0.000 2.380 87 V HA 0.236 4.355 4.120 -0.001 0.000 0.286 87 V C -1.886 174.322 176.094 0.190 0.000 1.015 87 V CA -2.059 60.400 62.300 0.265 0.000 0.834 87 V CB 1.756 33.777 31.823 0.330 0.000 1.009 87 V HN 0.228 nan 8.190 nan 0.000 0.428 88 P HA 0.232 nan 4.420 nan 0.000 0.271 88 P C -1.062 176.272 177.300 0.055 0.000 1.216 88 P CA -0.159 62.981 63.100 0.067 0.000 0.771 88 P CB 1.086 32.785 31.700 -0.001 0.000 0.864 89 Q N 1.546 121.378 119.800 0.054 0.000 2.365 89 Q HA 0.556 4.896 4.340 -0.001 0.000 0.269 89 Q C 0.516 176.540 176.000 0.041 0.000 1.061 89 Q CA -0.600 55.236 55.803 0.056 0.000 0.816 89 Q CB 2.775 31.558 28.738 0.075 0.000 1.325 89 Q HN 0.560 nan 8.270 nan 0.000 0.446 90 G N 0.524 109.350 108.800 0.044 0.000 2.543 90 G HA2 0.270 4.230 3.960 -0.001 0.000 0.267 90 G HA3 0.270 4.230 3.960 -0.001 0.000 0.267 90 G C 0.532 175.471 174.900 0.065 0.000 1.406 90 G CA -0.137 44.993 45.100 0.049 0.000 1.048 90 G HN 0.568 nan 8.290 nan 0.000 0.548 91 R N -0.549 119.996 120.500 0.074 0.000 2.048 91 R HA 0.086 4.425 4.340 -0.001 0.000 0.224 91 R C 2.515 178.854 176.300 0.064 0.000 1.163 91 R CA 0.915 57.060 56.100 0.074 0.000 0.956 91 R CB -0.425 29.926 30.300 0.084 0.000 0.849 91 R HN 0.449 nan 8.270 nan 0.000 0.435 92 K N 0.377 120.815 120.400 0.063 0.000 2.009 92 K HA -0.169 4.151 4.320 -0.001 0.000 0.210 92 K C 0.551 177.188 176.600 0.061 0.000 1.049 92 K CA 1.854 58.175 56.287 0.057 0.000 0.929 92 K CB -0.071 32.463 32.500 0.057 0.000 0.714 92 K HN 0.473 nan 8.250 nan 0.000 0.440 93 E N -0.214 120.032 120.200 0.076 0.000 2.429 93 E HA 0.311 4.660 4.350 -0.001 0.000 0.276 93 E C -0.512 176.150 176.600 0.104 0.000 0.953 93 E CA -1.091 55.361 56.400 0.087 0.000 0.787 93 E CB 1.599 31.357 29.700 0.098 0.000 1.307 93 E HN -0.086 nan 8.360 nan 0.000 0.458 94 V N 0.118 120.096 119.914 0.108 0.000 2.999 94 V HA 0.197 4.316 4.120 -0.001 0.000 0.307 94 V C 0.294 176.476 176.094 0.147 0.000 1.084 94 V CA -0.571 61.800 62.300 0.117 0.000 1.155 94 V CB 0.866 32.757 31.823 0.115 0.000 0.975 94 V HN 0.689 nan 8.190 nan 0.000 0.490 95 S N 3.195 118.959 115.700 0.107 0.000 2.573 95 S HA 0.409 4.878 4.470 -0.001 0.000 0.277 95 S C -0.162 174.502 174.600 0.108 0.000 1.346 95 S CA 0.203 58.429 58.200 0.044 0.000 1.034 95 S CB -0.046 63.163 63.200 0.014 0.000 0.879 95 S HN 1.294 nan 8.310 nan 0.000 0.528 96 H N -2.172 116.925 119.070 0.046 0.000 3.016 96 H HA 0.498 5.053 4.556 -0.001 0.000 0.362 96 H C -0.898 174.449 175.328 0.033 0.000 1.233 96 H CA -1.015 55.057 56.048 0.040 0.000 1.124 96 H CB 0.310 30.090 29.762 0.030 0.000 1.850 96 H HN 0.460 nan 8.280 nan 0.000 0.549 97 D N 0.458 120.934 120.400 0.126 0.000 2.882 97 D HA -0.190 4.449 4.640 -0.001 0.000 0.229 97 D C -0.333 175.962 176.300 -0.007 0.000 1.167 97 D CA 0.815 54.857 54.000 0.069 0.000 0.759 97 D CB -0.766 40.111 40.800 0.127 0.000 1.088 97 D HN 0.480 nan 8.370 nan 0.000 0.425 98 L N -0.102 121.111 121.223 -0.016 0.000 2.436 98 L HA 0.253 4.592 4.340 -0.001 0.000 0.265 98 L C -1.738 175.130 176.870 -0.003 0.000 1.168 98 L CA -1.468 53.354 54.840 -0.030 0.000 0.815 98 L CB 0.203 42.251 42.059 -0.019 0.000 1.109 98 L HN -0.297 nan 8.230 nan 0.000 0.462 99 P HA 0.088 nan 4.420 nan 0.000 0.272 99 P C -1.102 176.211 177.300 0.021 0.000 1.223 99 P CA -0.196 62.897 63.100 -0.011 0.000 0.784 99 P CB 0.849 32.525 31.700 -0.040 0.000 0.923 100 V N 3.939 123.880 119.914 0.046 0.000 2.378 100 V HA 0.370 4.489 4.120 -0.001 0.000 0.288 100 V C 0.066 176.240 176.094 0.134 0.000 1.016 100 V CA -0.258 62.098 62.300 0.094 0.000 0.840 100 V CB 1.059 32.944 31.823 0.102 0.000 0.994 100 V HN 0.487 nan 8.190 nan 0.000 0.431 101 M N 6.018 125.725 119.600 0.178 0.000 2.101 101 M HA 0.553 5.032 4.480 -0.001 0.000 0.340 101 M C -0.812 175.808 176.300 0.534 0.000 1.057 101 M CA -0.189 55.286 55.300 0.292 0.000 0.984 101 M CB 1.502 34.145 32.600 0.072 0.000 1.560 101 M HN 0.454 nan 8.290 nan 0.000 0.435 102 I N 3.235 124.147 120.570 0.570 0.000 2.297 102 I HA 0.194 4.363 4.170 -0.001 0.000 0.291 102 I C -0.547 175.948 176.117 0.629 0.000 1.033 102 I CA -0.382 61.252 61.300 0.557 0.000 1.253 102 I CB 0.676 38.903 38.000 0.379 0.000 1.396 102 I HN 0.741 nan 8.210 nan 0.000 0.476 103 W N 8.802 130.261 121.300 0.264 0.000 2.335 103 W HA 0.468 5.128 4.660 -0.000 0.000 0.306 103 W C -1.282 175.266 176.519 0.049 0.000 1.216 103 W CA -0.665 56.548 57.345 -0.219 0.000 1.237 103 W CB 0.856 30.186 29.460 -0.216 0.000 1.243 103 W HN 0.370 nan 8.180 nan 0.000 0.493 104 I N 8.362 128.727 120.570 -0.341 0.000 2.328 104 I HA 0.207 4.377 4.170 -0.001 0.000 0.287 104 I C -1.142 174.595 176.117 -0.633 0.000 1.012 104 I CA -0.650 60.453 61.300 -0.327 0.000 1.195 104 I CB 0.734 38.693 38.000 -0.069 0.000 1.350 104 I HN 0.320 nan 8.210 nan 0.000 0.464 105 Y N 5.069 124.975 120.300 -0.657 0.000 2.482 105 Y HA 0.738 5.287 4.550 -0.001 0.000 0.334 105 Y C -0.374 175.388 175.900 -0.230 0.000 1.091 105 Y CA -0.707 57.008 58.100 -0.641 0.000 1.027 105 Y CB 2.257 40.002 38.460 -1.191 0.000 1.306 105 Y HN 0.595 nan 8.280 nan 0.000 0.446 106 G N 1.847 110.225 108.800 -0.703 0.000 2.378 106 G HA2 0.520 4.479 3.960 -0.001 0.000 0.302 106 G HA3 0.520 4.479 3.960 -0.001 0.000 0.302 106 G C -1.532 173.089 174.900 -0.465 0.000 1.669 106 G CA -0.064 44.647 45.100 -0.649 0.000 0.920 106 G HN 1.182 nan 8.290 nan 0.000 0.697 107 G N -1.088 107.505 108.800 -0.344 0.000 2.695 107 G HA2 0.782 4.742 3.960 -0.001 0.000 0.290 107 G HA3 0.782 4.742 3.960 -0.001 0.000 0.290 107 G C 0.687 175.524 174.900 -0.105 0.000 1.410 107 G CA 0.380 45.386 45.100 -0.157 0.000 0.844 107 G HN 1.698 nan 8.290 nan 0.000 0.478 108 A N -0.610 122.178 122.820 -0.054 0.000 2.016 108 A HA 0.508 4.827 4.320 -0.001 0.000 0.217 108 A C 0.219 177.426 177.584 -0.627 0.000 1.162 108 A CA 0.800 52.659 52.037 -0.298 0.000 0.662 108 A CB -0.230 18.621 19.000 -0.249 0.000 0.812 108 A HN 0.439 nan 8.150 nan 0.000 0.450 109 F N -0.088 119.863 119.950 0.002 0.000 2.529 109 F HA 0.578 5.103 4.527 -0.002 0.000 0.320 109 F C -0.283 175.493 175.800 -0.040 0.000 1.118 109 F CA -1.147 56.837 58.000 -0.026 0.000 0.915 109 F CB 1.705 40.672 39.000 -0.056 0.000 1.161 109 F HN 0.106 nan 8.300 nan 0.000 0.445 110 L N 2.721 124.012 121.223 0.114 0.000 2.334 110 L HA 0.838 5.177 4.340 -0.001 0.000 0.276 110 L C -0.769 176.110 176.870 0.015 0.000 1.014 110 L CA -1.013 53.845 54.840 0.029 0.000 0.815 110 L CB 2.007 44.039 42.059 -0.045 0.000 1.268 110 L HN 0.637 nan 8.230 nan 0.000 0.428 111 M N 1.647 121.245 119.600 -0.003 0.000 2.151 111 M HA 0.933 5.412 4.480 -0.001 0.000 0.290 111 M C -0.518 175.756 176.300 -0.044 0.000 0.965 111 M CA -0.300 54.986 55.300 -0.023 0.000 0.930 111 M CB 1.492 34.081 32.600 -0.019 0.000 1.560 111 M HN 0.898 nan 8.290 nan 0.000 0.438 121 S N 1.122 116.822 115.700 0.000 0.000 2.447 121 S HA 0.032 4.501 4.470 -0.001 0.000 0.233 121 S C 0.745 175.371 174.600 0.044 0.000 1.006 121 S CA 0.989 59.188 58.200 -0.001 0.000 0.957 121 S CB -0.366 62.815 63.200 -0.033 0.000 0.773 121 S HN 0.699 nan 8.310 nan 0.000 0.507 122 N N 0.639 119.327 118.700 -0.021 0.000 2.346 122 N HA 0.150 4.889 4.740 -0.001 0.000 0.225 122 N C 0.355 175.872 175.510 0.013 0.000 1.144 122 N CA -0.075 52.906 53.050 -0.115 0.000 0.837 122 N CB -0.164 37.838 38.487 -0.807 0.000 1.069 122 N HN 0.446 nan 8.380 nan 0.000 0.487 123 Y N 1.363 121.621 120.300 -0.071 0.000 2.114 123 Y HA -0.147 4.402 4.550 -0.002 0.000 0.282 123 Y C 1.388 177.125 175.900 -0.272 0.000 1.165 123 Y CA 1.489 59.519 58.100 -0.118 0.000 1.148 123 Y CB 0.154 38.542 38.460 -0.120 0.000 0.972 123 Y HN 0.034 nan 8.280 nan 0.000 0.504 124 L N -0.481 120.536 121.223 -0.344 0.000 2.728 124 L HA 0.031 4.370 4.340 -0.001 0.000 0.235 124 L C -0.137 176.132 176.870 -1.003 0.000 1.197 124 L CA 0.632 54.892 54.840 -0.966 0.000 0.992 124 L CB -1.660 39.809 42.059 -0.984 0.000 1.263 124 L HN 0.342 nan 8.230 nan 0.000 0.484 125 Y N -1.735 118.449 120.300 -0.193 0.000 2.527 125 Y HA 0.249 4.798 4.550 -0.002 0.000 0.247 125 Y C 0.822 176.858 175.900 0.227 0.000 1.138 125 Y CA -0.895 57.256 58.100 0.085 0.000 1.228 125 Y CB 0.803 39.262 38.460 -0.002 0.000 1.252 125 Y HN 0.057 nan 8.280 nan 0.000 0.531 126 D N 0.517 120.980 120.400 0.105 0.000 2.359 126 D HA 0.208 4.848 4.640 -0.001 0.000 0.230 126 D C 0.841 176.746 176.300 -0.658 0.000 1.118 126 D CA 0.038 53.941 54.000 -0.160 0.000 0.844 126 D CB 1.676 42.519 40.800 0.072 0.000 1.059 126 D HN 0.413 nan 8.370 nan 0.000 0.493 127 G N 3.285 111.050 108.800 -1.725 0.000 3.371 127 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.248 127 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.248 127 G C 1.020 175.291 174.900 -1.049 0.000 1.161 127 G CA -0.245 44.187 45.100 -1.113 0.000 0.796 127 G HN 0.573 nan 8.290 nan 0.000 0.539 128 E N 0.591 120.067 120.200 -1.206 0.000 2.051 128 E HA -0.155 4.194 4.350 -0.001 0.000 0.192 128 E C 1.973 178.413 176.600 -0.266 0.000 0.991 128 E CA 0.967 57.059 56.400 -0.513 0.000 0.799 128 E CB 0.089 29.693 29.700 -0.161 0.000 0.748 128 E HN 0.279 nan 8.360 nan 0.000 0.449 129 E N 0.497 120.528 120.200 -0.281 0.000 2.077 129 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 129 E C 2.256 178.705 176.600 -0.251 0.000 0.989 129 E CA 0.973 57.244 56.400 -0.216 0.000 0.800 129 E CB -0.229 29.366 29.700 -0.175 0.000 0.746 129 E HN 0.457 nan 8.360 nan 0.000 0.452 130 I N 0.930 121.288 120.570 -0.353 0.000 2.202 130 I HA -0.246 3.923 4.170 -0.001 0.000 0.242 130 I C 2.532 178.513 176.117 -0.227 0.000 1.091 130 I CA 1.111 62.205 61.300 -0.343 0.000 1.368 130 I CB -0.377 37.318 38.000 -0.508 0.000 1.058 130 I HN -0.003 nan 8.210 nan 0.000 0.410 131 A N 0.877 123.586 122.820 -0.185 0.000 1.902 131 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 131 A C 2.451 179.984 177.584 -0.085 0.000 1.181 131 A CA 2.525 54.517 52.037 -0.075 0.000 0.623 131 A CB -1.179 17.857 19.000 0.061 0.000 0.818 131 A HN 0.536 nan 8.150 nan 0.000 0.443 132 T N -2.532 111.969 114.554 -0.089 0.000 2.896 132 T HA -0.041 4.308 4.350 -0.001 0.000 0.263 132 T C 1.926 176.555 174.700 -0.119 0.000 1.050 132 T CA 1.081 63.128 62.100 -0.089 0.000 1.140 132 T CB -0.283 68.546 68.868 -0.065 0.000 0.877 132 T HN 0.490 nan 8.240 nan 0.000 0.457 133 R N 0.785 121.200 120.500 -0.142 0.000 2.153 133 R HA 0.190 4.529 4.340 -0.001 0.000 0.218 133 R C 2.585 178.856 176.300 -0.048 0.000 1.072 133 R CA 0.980 57.001 56.100 -0.132 0.000 0.990 133 R CB -0.236 29.937 30.300 -0.213 0.000 0.889 133 R HN 0.549 nan 8.270 nan 0.000 0.452 134 G N -0.214 108.527 108.800 -0.099 0.000 3.159 134 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.232 134 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.232 134 G C 0.127 174.865 174.900 -0.271 0.000 1.116 134 G CA -0.375 44.681 45.100 -0.075 0.000 0.767 134 G HN 0.410 nan 8.290 nan 0.000 0.547 135 N N -0.524 117.954 118.700 -0.369 0.000 2.727 135 N HA -0.188 4.551 4.740 -0.001 0.000 0.251 135 N C -0.319 175.049 175.510 -0.236 0.000 1.040 135 N CA 0.401 53.193 53.050 -0.430 0.000 0.712 135 N CB -1.034 36.902 38.487 -0.919 0.000 0.912 135 N HN 0.489 nan 8.380 nan 0.000 0.545 136 V N -1.645 118.190 119.914 -0.131 0.000 3.078 136 V HA 0.682 4.801 4.120 -0.001 0.000 0.311 136 V C 0.452 176.553 176.094 0.012 0.000 1.138 136 V CA -1.114 61.149 62.300 -0.062 0.000 1.007 136 V CB 1.993 33.776 31.823 -0.066 0.000 1.045 136 V HN 0.090 nan 8.190 nan 0.000 0.432 137 I N 1.926 122.533 120.570 0.060 0.000 2.395 137 I HA 0.459 4.628 4.170 -0.001 0.000 0.289 137 I C -0.495 175.728 176.117 0.176 0.000 1.023 137 I CA -0.465 60.918 61.300 0.138 0.000 1.350 137 I CB 1.670 39.754 38.000 0.140 0.000 1.409 137 I HN 0.451 nan 8.210 nan 0.000 0.507 138 V N 7.414 127.488 119.914 0.267 0.000 2.448 138 V HA 0.376 4.495 4.120 -0.001 0.000 0.295 138 V C -0.205 176.184 176.094 0.491 0.000 1.025 138 V CA -0.635 61.863 62.300 0.329 0.000 0.859 138 V CB 1.993 33.930 31.823 0.191 0.000 0.988 138 V HN 0.365 nan 8.190 nan 0.000 0.431 139 V N 4.319 124.523 119.914 0.483 0.000 2.407 139 V HA 0.602 4.721 4.120 -0.001 0.000 0.291 139 V C 0.228 176.707 176.094 0.642 0.000 1.018 139 V CA -0.372 62.224 62.300 0.493 0.000 0.842 139 V CB 2.030 34.050 31.823 0.328 0.000 0.996 139 V HN 1.027 nan 8.190 nan 0.000 0.426 140 T N 2.351 117.353 114.554 0.747 0.000 2.912 140 T HA 0.930 5.279 4.350 -0.001 0.000 0.288 140 T C -0.766 174.412 174.700 0.797 0.000 1.030 140 T CA -0.577 62.018 62.100 0.825 0.000 1.020 140 T CB 2.136 71.543 68.868 0.898 0.000 1.056 140 T HN 0.775 nan 8.240 nan 0.000 0.480 141 F N -1.016 119.236 119.950 0.504 0.000 2.779 141 F HA 0.731 5.257 4.527 -0.002 0.000 0.316 141 F C -1.767 174.244 175.800 0.351 0.000 1.164 141 F CA -1.400 56.819 58.000 0.365 0.000 0.924 141 F CB 0.770 39.860 39.000 0.150 0.000 1.348 141 F HN 0.487 nan 8.300 nan 0.000 0.467 142 N N 0.642 119.585 118.700 0.405 0.000 2.361 142 N HA 0.501 5.241 4.740 -0.001 0.000 0.302 142 N C -1.632 174.156 175.510 0.464 0.000 1.074 142 N CA -0.453 52.692 53.050 0.159 0.000 0.850 142 N CB 1.870 40.424 38.487 0.113 0.000 1.228 142 N HN 0.829 nan 8.380 nan 0.000 0.491 143 Y N -1.950 118.456 120.300 0.177 0.000 2.609 143 Y HA 0.578 5.128 4.550 -0.001 0.000 0.342 143 Y C -0.138 175.848 175.900 0.143 0.000 1.058 143 Y CA -1.376 56.885 58.100 0.268 0.000 1.055 143 Y CB 1.025 39.673 38.460 0.312 0.000 1.292 143 Y HN 0.160 nan 8.280 nan 0.000 0.476 144 R N 1.802 122.488 120.500 0.310 0.000 2.489 144 R HA 0.486 4.826 4.340 -0.001 0.000 0.287 144 R C -0.402 176.027 176.300 0.214 0.000 1.053 144 R CA -0.261 55.922 56.100 0.138 0.000 1.036 144 R CB 0.806 31.139 30.300 0.056 0.000 0.966 144 R HN 0.701 nan 8.270 nan 0.000 0.432 145 V N 0.036 120.035 119.914 0.141 0.000 3.158 145 V HA 0.901 5.020 4.120 -0.001 0.000 0.315 145 V C 0.716 176.955 176.094 0.242 0.000 1.148 145 V CA -0.109 62.367 62.300 0.293 0.000 1.042 145 V CB 1.279 33.163 31.823 0.102 0.000 1.101 145 V HN 0.959 nan 8.190 nan 0.000 0.448 146 G N 1.359 110.378 108.800 0.365 0.000 2.575 146 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.267 146 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.267 146 G C -1.156 173.731 174.900 -0.022 0.000 1.264 146 G CA 0.346 45.586 45.100 0.234 0.000 0.935 146 G HN 0.893 nan 8.290 nan 0.000 0.568 147 P HA -0.028 nan 4.420 nan 0.000 0.217 147 P C 2.247 179.360 177.300 -0.311 0.000 1.150 147 P CA 1.746 64.368 63.100 -0.796 0.000 0.832 147 P CB -0.036 31.051 31.700 -1.022 0.000 0.787 148 L N -1.060 120.050 121.223 -0.188 0.000 2.275 148 L HA -0.030 4.309 4.340 -0.001 0.000 0.215 148 L C 2.589 179.411 176.870 -0.079 0.000 1.119 148 L CA 1.557 56.316 54.840 -0.134 0.000 0.790 148 L CB -0.999 40.995 42.059 -0.108 0.000 0.919 148 L HN 0.100 nan 8.230 nan 0.000 0.443 149 G N -1.638 107.142 108.800 -0.034 0.000 2.673 149 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.208 149 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.208 149 G C 0.841 175.433 174.900 -0.513 0.000 1.128 149 G CA 0.002 44.994 45.100 -0.180 0.000 0.805 149 G HN 0.281 nan 8.290 nan 0.000 0.526 150 F N 0.216 120.255 119.950 0.147 0.000 2.825 150 F HA 0.478 5.003 4.527 -0.002 0.000 0.322 150 F C 0.596 176.478 175.800 0.138 0.000 1.127 150 F CA -0.803 57.262 58.000 0.109 0.000 1.164 150 F CB 0.445 39.493 39.000 0.079 0.000 1.101 150 F HN -0.148 nan 8.300 nan 0.000 0.529 151 L N 1.143 122.478 121.223 0.187 0.000 2.525 151 L HA 0.185 4.524 4.340 -0.001 0.000 0.278 151 L C 0.516 177.542 176.870 0.259 0.000 1.218 151 L CA 0.618 55.557 54.840 0.166 0.000 0.878 151 L CB 0.712 42.757 42.059 -0.024 0.000 1.127 151 L HN 0.178 nan 8.230 nan 0.000 0.492 152 S N 0.388 116.241 115.700 0.255 0.000 2.537 152 S HA 0.367 4.837 4.470 -0.001 0.000 0.270 152 S C 0.231 174.938 174.600 0.178 0.000 1.142 152 S CA -0.110 58.203 58.200 0.188 0.000 0.870 152 S CB 1.704 64.985 63.200 0.135 0.000 1.112 152 S HN 0.713 nan 8.310 nan 0.000 0.466 153 T N 0.131 114.767 114.554 0.137 0.000 3.054 153 T HA 0.432 4.781 4.350 -0.001 0.000 0.255 153 T C 1.403 176.162 174.700 0.100 0.000 1.035 153 T CA 0.722 62.892 62.100 0.117 0.000 0.941 153 T CB 0.013 68.936 68.868 0.092 0.000 1.026 153 T HN 1.961 nan 8.240 nan 0.000 0.533 154 G N 2.179 111.036 108.800 0.095 0.000 2.148 154 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.254 154 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.254 154 G C -0.305 174.633 174.900 0.063 0.000 0.981 154 G CA 0.450 45.595 45.100 0.076 0.000 0.670 154 G HN 1.014 nan 8.290 nan 0.000 0.528 155 D N -2.920 117.520 120.400 0.066 0.000 2.759 155 D HA 0.571 5.210 4.640 -0.001 0.000 0.321 155 D C 1.161 177.497 176.300 0.061 0.000 1.267 155 D CA 0.216 54.251 54.000 0.058 0.000 0.933 155 D CB -0.125 40.705 40.800 0.050 0.000 1.431 155 D HN 0.003 nan 8.370 nan 0.000 0.504 156 S N -0.611 115.121 115.700 0.053 0.000 2.407 156 S HA -0.185 4.284 4.470 -0.001 0.000 0.235 156 S C 1.406 176.037 174.600 0.052 0.000 1.036 156 S CA 1.298 59.529 58.200 0.051 0.000 1.013 156 S CB -0.719 62.505 63.200 0.039 0.000 0.820 156 S HN 0.467 nan 8.310 nan 0.000 0.476 157 N N 0.711 119.442 118.700 0.051 0.000 2.205 157 N HA -0.027 4.713 4.740 -0.001 0.000 0.186 157 N C 0.299 175.849 175.510 0.067 0.000 1.015 157 N CA 0.924 54.002 53.050 0.047 0.000 0.862 157 N CB 0.045 38.557 38.487 0.042 0.000 0.986 157 N HN 0.345 nan 8.380 nan 0.000 0.429 158 L N 0.064 121.345 121.223 0.096 0.000 2.491 158 L HA 0.183 4.523 4.340 -0.001 0.000 0.260 158 L C -2.163 174.797 176.870 0.150 0.000 1.200 158 L CA -0.793 54.143 54.840 0.160 0.000 0.882 158 L CB 2.601 44.753 42.059 0.155 0.000 1.058 158 L HN -0.226 nan 8.230 nan 0.000 0.487 159 P HA -0.099 nan 4.420 nan 0.000 0.217 159 P C 0.936 178.216 177.300 -0.034 0.000 1.148 159 P CA 1.573 64.709 63.100 0.061 0.000 0.828 159 P CB 0.323 32.069 31.700 0.078 0.000 0.783 160 G N -1.441 107.228 108.800 -0.218 0.000 2.615 160 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.218 160 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.218 160 G C -0.402 174.010 174.900 -0.813 0.000 1.339 160 G CA -0.192 44.598 45.100 -0.517 0.000 0.884 160 G HN 0.133 nan 8.290 nan 0.000 0.559 161 N N -1.733 116.669 118.700 -0.496 0.000 2.741 161 N HA -0.204 4.535 4.740 -0.001 0.000 0.250 161 N C 0.895 176.071 175.510 -0.557 0.000 1.115 161 N CA 1.779 54.586 53.050 -0.406 0.000 0.724 161 N CB -1.444 36.810 38.487 -0.388 0.000 1.090 161 N HN 0.674 nan 8.380 nan 0.000 0.558 162 Y N -0.191 119.947 120.300 -0.270 0.000 2.181 162 Y HA -0.066 4.484 4.550 -0.001 0.000 0.288 162 Y C 2.592 178.338 175.900 -0.257 0.000 1.146 162 Y CA 1.647 59.649 58.100 -0.162 0.000 1.164 162 Y CB -0.737 37.604 38.460 -0.199 0.000 0.982 162 Y HN 0.265 nan 8.280 nan 0.000 0.515 163 G N -0.063 108.385 108.800 -0.587 0.000 2.432 163 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.219 163 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.219 163 G C 1.658 176.504 174.900 -0.090 0.000 1.135 163 G CA 0.909 45.889 45.100 -0.199 0.000 0.767 163 G HN 0.351 nan 8.290 nan 0.000 0.550 164 L N -1.462 119.608 121.223 -0.255 0.000 2.072 164 L HA 0.001 4.340 4.340 -0.001 0.000 0.205 164 L C 2.718 179.209 176.870 -0.632 0.000 1.079 164 L CA 0.864 55.426 54.840 -0.465 0.000 0.752 164 L CB -0.440 41.118 42.059 -0.835 0.000 0.906 164 L HN 0.318 nan 8.230 nan 0.000 0.436 165 W N 0.852 121.813 121.300 -0.564 0.000 2.363 165 W HA -0.185 4.473 4.660 -0.003 0.000 0.296 165 W C 2.316 178.850 176.519 0.025 0.000 1.212 165 W CA 0.608 57.770 57.345 -0.304 0.000 1.260 165 W CB -0.201 29.132 29.460 -0.211 0.000 1.131 165 W HN 0.186 nan 8.180 nan 0.000 0.530 166 D N -0.276 120.299 120.400 0.292 0.000 2.097 166 D HA -0.188 4.451 4.640 -0.001 0.000 0.195 166 D C 1.986 178.513 176.300 0.377 0.000 0.989 166 D CA 1.433 55.687 54.000 0.422 0.000 0.827 166 D CB -0.733 40.349 40.800 0.469 0.000 0.966 166 D HN 0.306 nan 8.370 nan 0.000 0.456 167 Q N -0.472 119.479 119.800 0.252 0.000 2.084 167 Q HA -0.174 4.165 4.340 -0.001 0.000 0.202 167 Q C 2.175 178.204 176.000 0.048 0.000 0.978 167 Q CA 1.104 57.020 55.803 0.189 0.000 0.844 167 Q CB -0.275 28.538 28.738 0.125 0.000 0.898 167 Q HN 0.529 nan 8.270 nan 0.000 0.426 168 H N 0.145 119.265 119.070 0.084 0.000 2.456 168 H HA -0.117 4.439 4.556 -0.000 0.000 0.296 168 H C 1.955 177.379 175.328 0.159 0.000 1.079 168 H CA 1.428 57.583 56.048 0.179 0.000 1.322 168 H CB 0.229 30.207 29.762 0.360 0.000 1.388 168 H HN 0.212 nan 8.280 nan 0.000 0.538 169 M N 0.886 120.548 119.600 0.103 0.000 2.156 169 M HA 0.008 4.488 4.480 -0.001 0.000 0.264 169 M C 2.553 178.833 176.300 -0.035 0.000 1.067 169 M CA 1.742 57.124 55.300 0.138 0.000 1.131 169 M CB -0.565 32.286 32.600 0.418 0.000 1.368 169 M HN 0.269 nan 8.290 nan 0.000 0.416 170 A N 0.210 122.721 122.820 -0.516 0.000 1.877 170 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 170 A C 2.192 179.497 177.584 -0.466 0.000 1.186 170 A CA 1.984 53.361 52.037 -1.101 0.000 0.620 170 A CB -1.147 16.476 19.000 -2.294 0.000 0.822 170 A HN 0.591 nan 8.150 nan 0.000 0.443 171 I N -0.209 120.154 120.570 -0.346 0.000 2.179 171 I HA -0.290 3.879 4.170 -0.001 0.000 0.242 171 I C 2.942 179.016 176.117 -0.072 0.000 1.088 171 I CA 1.157 62.375 61.300 -0.138 0.000 1.357 171 I CB -0.343 37.627 38.000 -0.050 0.000 1.051 171 I HN 0.354 nan 8.210 nan 0.000 0.409 172 A N -0.273 122.466 122.820 -0.135 0.000 1.969 172 A HA -0.256 4.063 4.320 -0.001 0.000 0.218 172 A C 2.096 179.697 177.584 0.029 0.000 1.169 172 A CA 1.267 53.254 52.037 -0.084 0.000 0.635 172 A CB -1.046 17.854 19.000 -0.167 0.000 0.810 172 A HN 0.676 nan 8.150 nan 0.000 0.445 173 W N 0.238 121.476 121.300 -0.104 0.000 2.407 173 W HA -0.123 4.536 4.660 -0.002 0.000 0.305 173 W C 1.964 178.451 176.519 -0.053 0.000 1.196 173 W CA 1.926 59.243 57.345 -0.046 0.000 1.311 173 W CB -0.160 29.293 29.460 -0.011 0.000 1.135 173 W HN 0.085 nan 8.180 nan 0.000 0.514 174 V N 1.400 121.504 119.914 0.317 0.000 2.332 174 V HA -0.334 3.786 4.120 -0.001 0.000 0.248 174 V C 2.336 178.421 176.094 -0.015 0.000 1.055 174 V CA 2.341 64.753 62.300 0.186 0.000 1.038 174 V CB -1.073 30.844 31.823 0.157 0.000 0.651 174 V HN 0.094 nan 8.190 nan 0.000 0.450 175 K N 0.542 120.932 120.400 -0.016 0.000 2.063 175 K HA -0.160 4.159 4.320 -0.001 0.000 0.208 175 K C 2.210 178.753 176.600 -0.094 0.000 1.048 175 K CA 1.668 57.933 56.287 -0.036 0.000 0.928 175 K CB -0.286 32.203 32.500 -0.018 0.000 0.713 175 K HN 0.375 nan 8.250 nan 0.000 0.442 176 R N -0.427 119.975 120.500 -0.164 0.000 2.119 176 R HA 0.115 4.454 4.340 -0.001 0.000 0.222 176 R C 1.349 177.452 176.300 -0.328 0.000 1.088 176 R CA 1.292 57.260 56.100 -0.221 0.000 0.984 176 R CB 0.007 30.165 30.300 -0.237 0.000 0.884 176 R HN 0.278 nan 8.270 nan 0.000 0.447 177 N N -0.216 118.168 118.700 -0.526 0.000 2.227 177 N HA -0.000 4.739 4.740 -0.001 0.000 0.196 177 N C 1.261 176.644 175.510 -0.212 0.000 1.142 177 N CA 0.130 52.834 53.050 -0.578 0.000 0.887 177 N CB 0.503 38.178 38.487 -1.352 0.000 1.022 177 N HN 0.025 nan 8.380 nan 0.000 0.500 178 I N 2.552 123.056 120.570 -0.111 0.000 2.567 178 I HA -0.190 3.979 4.170 -0.001 0.000 0.257 178 I C 2.300 178.509 176.117 0.153 0.000 1.184 178 I CA 1.147 62.511 61.300 0.106 0.000 1.451 178 I CB -0.125 37.915 38.000 0.066 0.000 1.089 178 I HN 0.041 nan 8.210 nan 0.000 0.441 179 E N 0.778 121.007 120.200 0.048 0.000 2.085 179 E HA -0.223 4.127 4.350 -0.001 0.000 0.194 179 E C 2.214 178.837 176.600 0.039 0.000 0.994 179 E CA 1.590 58.015 56.400 0.042 0.000 0.801 179 E CB -0.331 29.369 29.700 -0.001 0.000 0.743 179 E HN 0.505 nan 8.360 nan 0.000 0.453 180 A N -0.653 122.153 122.820 -0.022 0.000 2.070 180 A HA -0.113 4.206 4.320 -0.001 0.000 0.220 180 A C 1.662 179.109 177.584 -0.227 0.000 1.159 180 A CA 1.109 53.056 52.037 -0.149 0.000 0.656 180 A CB -0.667 18.164 19.000 -0.282 0.000 0.800 180 A HN 0.375 nan 8.150 nan 0.000 0.453 181 F N -1.273 118.652 119.950 -0.042 0.000 2.776 181 F HA 0.350 4.876 4.527 -0.001 0.000 0.300 181 F C 1.819 177.648 175.800 0.048 0.000 1.116 181 F CA 0.758 58.746 58.000 -0.020 0.000 1.375 181 F CB 0.327 39.293 39.000 -0.058 0.000 1.109 181 F HN 0.350 nan 8.300 nan 0.000 0.585 182 G N 0.076 108.988 108.800 0.187 0.000 2.148 182 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.203 182 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.203 182 G C 0.483 175.462 174.900 0.132 0.000 0.993 182 G CA -0.366 44.828 45.100 0.157 0.000 0.661 182 G HN 0.687 nan 8.290 nan 0.000 0.518 183 G N -0.563 108.320 108.800 0.138 0.000 2.437 183 G HA2 0.510 4.469 3.960 -0.001 0.000 0.319 183 G HA3 0.510 4.469 3.960 -0.001 0.000 0.319 183 G C -0.927 174.017 174.900 0.073 0.000 1.158 183 G CA 0.102 45.262 45.100 0.099 0.000 0.899 183 G HN 0.182 nan 8.290 nan 0.000 0.502 184 D N 1.312 121.743 120.400 0.052 0.000 2.359 184 D HA 0.305 4.944 4.640 -0.001 0.000 0.230 184 D C -1.489 174.829 176.300 0.031 0.000 1.118 184 D CA -2.202 51.822 54.000 0.039 0.000 0.844 184 D CB 2.026 42.843 40.800 0.028 0.000 1.059 184 D HN -0.054 nan 8.370 nan 0.000 0.493 185 P HA -0.063 nan 4.420 nan 0.000 0.219 185 P C 0.208 177.516 177.300 0.014 0.000 1.146 185 P CA 0.838 63.946 63.100 0.014 0.000 0.808 185 P CB 0.355 32.054 31.700 -0.002 0.000 0.779 186 D N -1.238 119.169 120.400 0.012 0.000 2.325 186 D HA 0.034 4.673 4.640 -0.001 0.000 0.225 186 D C 0.649 176.951 176.300 0.003 0.000 1.096 186 D CA 0.548 54.552 54.000 0.008 0.000 0.844 186 D CB 0.137 40.940 40.800 0.005 0.000 0.925 186 D HN 0.245 nan 8.370 nan 0.000 0.513 187 Q N 0.673 120.477 119.800 0.007 0.000 2.333 187 Q HA 0.292 4.631 4.340 -0.001 0.000 0.365 187 Q C -0.179 175.828 176.000 0.010 0.000 0.882 187 Q CA -0.158 55.642 55.803 -0.006 0.000 1.124 187 Q CB 1.446 30.176 28.738 -0.013 0.000 1.345 187 Q HN 0.258 nan 8.270 nan 0.000 0.409 188 I N 1.006 121.594 120.570 0.030 0.000 2.365 188 I HA 0.249 4.418 4.170 -0.001 0.000 0.291 188 I C 0.172 176.337 176.117 0.080 0.000 1.004 188 I CA -0.011 61.330 61.300 0.067 0.000 1.311 188 I CB 1.594 39.642 38.000 0.080 0.000 1.401 188 I HN -0.127 nan 8.210 nan 0.000 0.491 189 T N 7.308 121.935 114.554 0.122 0.000 2.786 189 T HA 0.506 4.855 4.350 -0.001 0.000 0.283 189 T C -0.180 174.711 174.700 0.319 0.000 0.992 189 T CA -0.523 61.678 62.100 0.168 0.000 0.954 189 T CB 0.885 69.819 68.868 0.110 0.000 0.934 189 T HN 0.264 nan 8.240 nan 0.000 0.440 190 L N 5.079 126.504 121.223 0.336 0.000 2.292 190 L HA 0.704 5.043 4.340 -0.001 0.000 0.284 190 L C -0.519 176.694 176.870 0.571 0.000 1.065 190 L CA -0.877 54.215 54.840 0.420 0.000 0.806 190 L CB 0.456 42.687 42.059 0.287 0.000 1.175 190 L HN 0.641 nan 8.230 nan 0.000 0.431 191 F N 0.726 120.909 119.950 0.388 0.000 2.601 191 F HA 0.960 5.486 4.527 -0.001 0.000 0.309 191 F C -0.316 175.803 175.800 0.531 0.000 1.089 191 F CA -1.229 57.057 58.000 0.477 0.000 0.940 191 F CB 1.778 41.100 39.000 0.537 0.000 1.273 191 F HN 0.480 nan 8.300 nan 0.000 0.450 192 G N 1.904 110.889 108.800 0.308 0.000 2.519 192 G HA2 0.503 4.462 3.960 -0.001 0.000 0.292 192 G HA3 0.503 4.462 3.960 -0.001 0.000 0.292 192 G C -2.377 172.553 174.900 0.051 0.000 1.507 192 G CA -0.810 44.112 45.100 -0.296 0.000 0.806 192 G HN 1.087 nan 8.290 nan 0.000 0.523 193 E N -0.145 120.021 120.200 -0.057 0.000 2.263 193 E HA 0.806 5.155 4.350 -0.001 0.000 0.264 193 E C 0.777 177.481 176.600 0.173 0.000 0.923 193 E CA 0.121 56.633 56.400 0.185 0.000 0.802 193 E CB 1.903 31.743 29.700 0.233 0.000 1.228 193 E HN 1.484 nan 8.360 nan 0.000 0.417 194 S N 1.298 117.155 115.700 0.261 0.000 4.116 194 S HA -0.379 4.090 4.470 -0.001 0.000 0.623 194 S C 1.524 176.285 174.600 0.269 0.000 1.933 194 S CA 2.163 60.578 58.200 0.358 0.000 4.224 194 S CB -1.844 61.538 63.200 0.303 0.000 0.208 194 S HN 1.535 nan 8.310 nan 0.000 0.527 195 A N 0.949 123.733 122.820 -0.059 0.000 1.940 195 A HA 0.144 4.463 4.320 -0.001 0.000 0.219 195 A C 2.512 179.878 177.584 -0.363 0.000 1.176 195 A CA 2.519 54.231 52.037 -0.541 0.000 0.631 195 A CB -1.591 16.866 19.000 -0.904 0.000 0.814 195 A HN 1.657 nan 8.150 nan 0.000 0.446 196 G N -0.668 108.036 108.800 -0.161 0.000 2.422 196 G HA2 0.043 4.002 3.960 -0.001 0.000 0.218 196 G HA3 0.043 4.002 3.960 -0.001 0.000 0.218 196 G C 1.480 176.376 174.900 -0.006 0.000 1.146 196 G CA 1.219 46.251 45.100 -0.114 0.000 0.769 196 G HN 0.686 nan 8.290 nan 0.000 0.547 197 G N 1.014 109.872 108.800 0.098 0.000 2.402 197 G HA2 0.079 4.038 3.960 -0.001 0.000 0.216 197 G HA3 0.079 4.038 3.960 -0.001 0.000 0.216 197 G C 2.021 177.049 174.900 0.214 0.000 1.162 197 G CA 1.439 46.667 45.100 0.213 0.000 0.777 197 G HN 0.606 nan 8.290 nan 0.000 0.539 198 A N 0.558 123.502 122.820 0.207 0.000 1.930 198 A HA 0.099 4.418 4.320 -0.001 0.000 0.217 198 A C 2.678 180.380 177.584 0.198 0.000 1.175 198 A CA 2.066 54.204 52.037 0.169 0.000 0.627 198 A CB -0.489 18.597 19.000 0.143 0.000 0.815 198 A HN 0.292 nan 8.150 nan 0.000 0.443 199 S N -0.368 115.451 115.700 0.198 0.000 2.356 199 S HA -0.139 4.330 4.470 -0.001 0.000 0.223 199 S C 1.939 176.614 174.600 0.124 0.000 1.032 199 S CA 1.429 59.739 58.200 0.183 0.000 1.005 199 S CB -0.489 62.758 63.200 0.080 0.000 0.867 199 S HN 0.345 nan 8.310 nan 0.000 0.449 200 V N 1.377 121.364 119.914 0.121 0.000 2.252 200 V HA -0.217 3.902 4.120 -0.001 0.000 0.249 200 V C 2.620 178.763 176.094 0.081 0.000 1.056 200 V CA 2.171 64.553 62.300 0.137 0.000 1.022 200 V CB -0.969 30.979 31.823 0.209 0.000 0.641 200 V HN 0.583 nan 8.190 nan 0.000 0.445 201 S N -0.492 115.258 115.700 0.085 0.000 2.359 201 S HA -0.203 4.266 4.470 -0.001 0.000 0.223 201 S C 1.959 176.508 174.600 -0.085 0.000 1.039 201 S CA 2.054 60.239 58.200 -0.025 0.000 1.042 201 S CB -0.415 62.828 63.200 0.072 0.000 0.915 201 S HN 0.491 nan 8.310 nan 0.000 0.439 202 L N 1.139 122.358 121.223 -0.008 0.000 2.079 202 L HA -0.136 4.203 4.340 -0.001 0.000 0.210 202 L C 3.041 179.908 176.870 -0.006 0.000 1.081 202 L CA 1.212 56.043 54.840 -0.015 0.000 0.752 202 L CB -0.578 41.510 42.059 0.047 0.000 0.896 202 L HN 0.383 nan 8.230 nan 0.000 0.433 203 Q N -0.376 119.457 119.800 0.056 0.000 2.084 203 Q HA -0.179 4.160 4.340 -0.001 0.000 0.202 203 Q C 2.363 178.335 176.000 -0.046 0.000 0.978 203 Q CA 2.194 58.040 55.803 0.072 0.000 0.844 203 Q CB -0.682 28.140 28.738 0.139 0.000 0.898 203 Q HN 0.651 nan 8.270 nan 0.000 0.426 204 T N -1.653 112.848 114.554 -0.089 0.000 2.962 204 T HA -0.011 4.338 4.350 -0.001 0.000 0.270 204 T C 1.885 176.458 174.700 -0.212 0.000 1.088 204 T CA 0.639 62.651 62.100 -0.147 0.000 1.127 204 T CB -0.188 68.547 68.868 -0.222 0.000 0.883 204 T HN 0.143 nan 8.240 nan 0.000 0.493 205 L N 0.911 121.981 121.223 -0.255 0.000 2.477 205 L HA 0.275 4.614 4.340 -0.001 0.000 0.220 205 L C 1.596 178.310 176.870 -0.261 0.000 1.106 205 L CA -0.151 54.510 54.840 -0.298 0.000 0.851 205 L CB -0.105 41.739 42.059 -0.357 0.000 0.994 205 L HN 0.206 nan 8.230 nan 0.000 0.462 206 S N 0.344 115.864 115.700 -0.300 0.000 2.528 206 S HA 0.165 4.635 4.470 -0.001 0.000 0.277 206 S C -1.556 172.835 174.600 -0.349 0.000 1.297 206 S CA -1.264 56.666 58.200 -0.451 0.000 1.052 206 S CB 1.055 63.665 63.200 -0.983 0.000 0.917 206 S HN -0.084 nan 8.310 nan 0.000 0.492 207 P HA -0.027 nan 4.420 nan 0.000 0.225 207 P C 0.324 177.437 177.300 -0.312 0.000 1.148 207 P CA 0.904 63.847 63.100 -0.263 0.000 0.779 207 P CB -0.031 31.513 31.700 -0.261 0.000 0.780 208 Y N -0.607 119.436 120.300 -0.429 0.000 2.421 208 Y HA -0.070 4.478 4.550 -0.003 0.000 0.292 208 Y C 1.632 177.453 175.900 -0.132 0.000 1.136 208 Y CA 1.035 58.908 58.100 -0.377 0.000 1.255 208 Y CB -0.636 37.333 38.460 -0.818 0.000 0.991 208 Y HN -0.003 nan 8.280 nan 0.000 0.552 209 N N 0.475 119.157 118.700 -0.028 0.000 2.276 209 N HA 0.016 4.755 4.740 -0.001 0.000 0.212 209 N C -0.138 175.385 175.510 0.022 0.000 1.127 209 N CA 0.064 53.168 53.050 0.089 0.000 0.834 209 N CB 0.080 38.611 38.487 0.073 0.000 1.014 209 N HN 0.151 nan 8.380 nan 0.000 0.491 210 K N 0.038 120.423 120.400 -0.024 0.000 2.447 210 K HA 0.173 4.492 4.320 -0.001 0.000 0.281 210 K C 1.171 177.770 176.600 -0.002 0.000 1.031 210 K CA 0.867 57.134 56.287 -0.034 0.000 1.019 210 K CB 0.090 32.550 32.500 -0.066 0.000 0.918 210 K HN 0.271 nan 8.250 nan 0.000 0.476 211 G N 3.062 111.862 108.800 -0.001 0.000 2.184 211 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.264 211 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.264 211 G C 0.535 175.446 174.900 0.018 0.000 0.975 211 G CA 0.578 45.682 45.100 0.007 0.000 0.642 211 G HN 0.558 nan 8.290 nan 0.000 0.536 212 L N -0.498 120.744 121.223 0.031 0.000 2.357 212 L HA 0.430 4.770 4.340 -0.001 0.000 0.211 212 L C 1.297 178.191 176.870 0.041 0.000 1.075 212 L CA 0.343 55.206 54.840 0.039 0.000 0.830 212 L CB 0.039 42.134 42.059 0.059 0.000 0.996 212 L HN 0.201 nan 8.230 nan 0.000 0.467 213 I N -0.035 120.560 120.570 0.041 0.000 2.359 213 I HA 0.151 4.320 4.170 -0.001 0.000 0.294 213 I C 0.780 176.918 176.117 0.035 0.000 0.987 213 I CA -0.193 61.136 61.300 0.047 0.000 1.225 213 I CB 1.826 39.856 38.000 0.050 0.000 1.366 213 I HN -0.138 nan 8.210 nan 0.000 0.466 214 K N 5.213 125.632 120.400 0.032 0.000 2.190 214 K HA 0.296 4.616 4.320 -0.001 0.000 0.202 214 K C 0.213 176.819 176.600 0.009 0.000 1.045 214 K CA 1.037 57.329 56.287 0.008 0.000 0.976 214 K CB 0.505 32.993 32.500 -0.019 0.000 0.849 214 K HN 0.562 nan 8.250 nan 0.000 0.468 215 R N -1.350 119.164 120.500 0.024 0.000 2.831 215 R HA 0.776 5.115 4.340 -0.001 0.000 0.266 215 R C -1.536 174.895 176.300 0.218 0.000 1.051 215 R CA -0.916 55.229 56.100 0.075 0.000 0.943 215 R CB 1.996 32.171 30.300 -0.209 0.000 1.228 215 R HN 0.055 nan 8.270 nan 0.000 0.467 216 A N 1.041 124.106 122.820 0.407 0.000 2.589 216 A HA 0.672 4.991 4.320 -0.001 0.000 0.296 216 A C -1.370 176.514 177.584 0.500 0.000 1.062 216 A CA -0.680 51.599 52.037 0.404 0.000 0.686 216 A CB 1.388 20.516 19.000 0.213 0.000 1.282 216 A HN 0.585 nan 8.150 nan 0.000 0.404 217 I N 1.554 122.364 120.570 0.401 0.000 2.439 217 I HA 0.352 4.521 4.170 -0.001 0.000 0.285 217 I C -0.210 176.135 176.117 0.379 0.000 1.021 217 I CA -0.384 61.050 61.300 0.224 0.000 1.091 217 I CB 2.201 40.220 38.000 0.032 0.000 1.242 217 I HN 0.482 nan 8.210 nan 0.000 0.439 218 S N 5.811 121.702 115.700 0.318 0.000 2.438 218 S HA 0.383 4.852 4.470 -0.001 0.000 0.316 218 S C -0.453 174.359 174.600 0.352 0.000 1.084 218 S CA -0.622 57.786 58.200 0.347 0.000 1.107 218 S CB 1.014 64.430 63.200 0.360 0.000 0.981 218 S HN 0.494 nan 8.310 nan 0.000 0.466 219 Q N 1.691 121.745 119.800 0.424 0.000 2.372 219 Q HA 0.399 4.739 4.340 -0.001 0.000 0.259 219 Q C -0.277 175.925 176.000 0.337 0.000 0.993 219 Q CA -0.541 55.543 55.803 0.468 0.000 0.854 219 Q CB 1.276 30.339 28.738 0.541 0.000 1.231 219 Q HN 0.733 nan 8.270 nan 0.000 0.462 220 S N 1.504 117.375 115.700 0.284 0.000 3.608 220 S HA -0.127 4.342 4.470 -0.001 0.000 0.382 220 S C -0.000 174.980 174.600 0.634 0.000 0.945 220 S CA 0.558 58.941 58.200 0.305 0.000 1.256 220 S CB -1.190 62.034 63.200 0.040 0.000 0.913 220 S HN 1.038 nan 8.310 nan 0.000 0.518 221 G N -0.756 108.387 108.800 0.572 0.000 2.050 221 G HA2 0.483 4.442 3.960 -0.001 0.000 0.274 221 G HA3 0.483 4.442 3.960 -0.001 0.000 0.274 221 G C -0.895 174.187 174.900 0.302 0.000 1.733 221 G CA -0.021 45.438 45.100 0.597 0.000 0.905 221 G HN 1.411 nan 8.290 nan 0.000 0.728 222 V N 0.344 120.335 119.914 0.127 0.000 3.102 222 V HA 0.959 5.078 4.120 -0.001 0.000 0.312 222 V C 1.278 177.333 176.094 -0.065 0.000 1.135 222 V CA -0.122 62.238 62.300 0.100 0.000 1.022 222 V CB 1.641 33.556 31.823 0.154 0.000 1.056 222 V HN 1.502 nan 8.190 nan 0.000 0.436 223 G N -0.107 108.690 108.800 -0.006 0.000 2.559 223 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.216 223 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.216 223 G C 0.853 175.683 174.900 -0.116 0.000 1.126 223 G CA 0.683 45.737 45.100 -0.076 0.000 0.778 223 G HN 0.711 nan 8.290 nan 0.000 0.543 224 L N 0.271 121.450 121.223 -0.074 0.000 2.592 224 L HA 0.199 4.538 4.340 -0.001 0.000 0.227 224 L C 0.849 177.581 176.870 -0.229 0.000 1.127 224 L CA -0.710 54.076 54.840 -0.090 0.000 0.884 224 L CB -0.105 41.954 42.059 -0.000 0.000 1.065 224 L HN 0.059 nan 8.230 nan 0.000 0.457 225 C N 1.995 121.054 119.300 -0.402 0.000 2.657 225 C HA 0.052 4.511 4.460 -0.001 0.000 0.420 225 C C 0.027 174.621 174.990 -0.660 0.000 1.323 225 C CA -0.946 57.673 59.018 -0.665 0.000 1.894 225 C CB 0.702 27.656 27.740 -1.309 0.000 2.681 225 C HN 0.260 nan 8.230 nan 0.000 0.613 226 P HA -0.125 nan 4.420 nan 0.000 0.216 226 P C 1.272 178.408 177.300 -0.272 0.000 1.150 226 P CA 1.914 64.828 63.100 -0.309 0.000 0.837 226 P CB -0.154 31.417 31.700 -0.215 0.000 0.786 227 W N -0.817 120.353 121.300 -0.218 0.000 3.180 227 W HA 0.513 5.173 4.660 0.000 0.000 0.254 227 W C 1.050 177.509 176.519 -0.101 0.000 1.318 227 W CA 0.331 57.559 57.345 -0.195 0.000 1.608 227 W CB -1.227 28.076 29.460 -0.262 0.000 1.124 227 W HN -0.087 nan 8.180 nan 0.000 0.694 228 A N 0.824 123.326 122.820 -0.530 0.000 2.195 228 A HA 0.264 4.583 4.320 -0.001 0.000 0.210 228 A C 0.642 177.993 177.584 -0.389 0.000 1.165 228 A CA 0.507 52.294 52.037 -0.417 0.000 0.806 228 A CB -0.024 18.613 19.000 -0.606 0.000 0.847 228 A HN 0.118 nan 8.150 nan 0.000 0.482 229 I N 0.228 120.617 120.570 -0.302 0.000 2.499 229 I HA 0.263 4.432 4.170 -0.001 0.000 0.288 229 I C -0.821 175.185 176.117 -0.185 0.000 1.048 229 I CA -0.497 60.656 61.300 -0.244 0.000 1.062 229 I CB 1.701 39.592 38.000 -0.182 0.000 1.238 229 I HN 0.157 nan 8.210 nan 0.000 0.426 230 Q N 4.344 124.044 119.800 -0.167 0.000 2.314 230 Q HA 0.219 4.558 4.340 -0.001 0.000 0.257 230 Q C 0.409 176.386 176.000 -0.038 0.000 0.975 230 Q CA 0.168 55.907 55.803 -0.107 0.000 0.933 230 Q CB 1.363 30.036 28.738 -0.110 0.000 1.195 230 Q HN 0.440 nan 8.270 nan 0.000 0.426 231 Q N 2.144 121.935 119.800 -0.016 0.000 2.269 231 Q HA 0.050 4.389 4.340 -0.001 0.000 0.201 231 Q C -0.516 175.511 176.000 0.046 0.000 0.946 231 Q CA 1.006 56.810 55.803 0.002 0.000 0.877 231 Q CB 0.559 29.288 28.738 -0.014 0.000 0.963 231 Q HN 0.646 nan 8.270 nan 0.000 0.472 232 D N -0.842 119.622 120.400 0.107 0.000 2.513 232 D HA 0.144 4.783 4.640 -0.001 0.000 0.295 232 D C -2.072 174.410 176.300 0.303 0.000 1.202 232 D CA -1.931 52.164 54.000 0.158 0.000 0.849 232 D CB 0.980 41.838 40.800 0.096 0.000 1.116 232 D HN -0.004 nan 8.370 nan 0.000 0.502 233 P HA -0.150 nan 4.420 nan 0.000 0.217 233 P C 1.745 179.222 177.300 0.295 0.000 1.150 233 P CA 0.212 63.479 63.100 0.278 0.000 0.832 233 P CB 0.629 32.436 31.700 0.177 0.000 0.787 234 L N -0.529 120.822 121.223 0.212 0.000 2.079 234 L HA -0.132 4.207 4.340 -0.001 0.000 0.210 234 L C 2.509 179.469 176.870 0.150 0.000 1.081 234 L CA 1.665 56.604 54.840 0.165 0.000 0.752 234 L CB -1.759 40.372 42.059 0.120 0.000 0.896 234 L HN -0.166 nan 8.230 nan 0.000 0.433 235 F N -1.163 118.788 119.950 0.001 0.000 2.126 235 F HA -0.253 4.274 4.527 -0.001 0.000 0.299 235 F C 1.763 177.438 175.800 -0.209 0.000 1.096 235 F CA 1.839 59.742 58.000 -0.162 0.000 1.255 235 F CB -0.554 38.253 39.000 -0.321 0.000 0.997 235 F HN 0.129 nan 8.300 nan 0.000 0.479 236 W N 0.098 121.422 121.300 0.040 0.000 2.476 236 W HA 0.104 4.762 4.660 -0.003 0.000 0.281 236 W C 2.572 179.144 176.519 0.088 0.000 1.230 236 W CA 1.199 58.501 57.345 -0.071 0.000 1.287 236 W CB -0.911 28.447 29.460 -0.170 0.000 1.108 236 W HN 0.084 nan 8.180 nan 0.000 0.567 237 A N 0.941 123.970 122.820 0.347 0.000 1.877 237 A HA -0.206 4.113 4.320 -0.001 0.000 0.216 237 A C 1.921 179.583 177.584 0.129 0.000 1.186 237 A CA 1.773 53.982 52.037 0.286 0.000 0.620 237 A CB -0.670 18.458 19.000 0.214 0.000 0.822 237 A HN 0.247 nan 8.150 nan 0.000 0.443 238 K N -0.657 119.756 120.400 0.023 0.000 2.063 238 K HA -0.149 4.170 4.320 -0.001 0.000 0.208 238 K C 2.352 178.902 176.600 -0.084 0.000 1.048 238 K CA 1.541 57.799 56.287 -0.048 0.000 0.928 238 K CB -0.210 32.231 32.500 -0.098 0.000 0.713 238 K HN 0.379 nan 8.250 nan 0.000 0.442 239 R N 0.642 121.034 120.500 -0.181 0.000 2.073 239 R HA -0.081 4.259 4.340 -0.001 0.000 0.234 239 R C 2.415 178.739 176.300 0.041 0.000 1.134 239 R CA 1.335 57.344 56.100 -0.150 0.000 0.952 239 R CB -0.317 29.801 30.300 -0.303 0.000 0.850 239 R HN 0.229 nan 8.270 nan 0.000 0.433 240 I N 0.339 121.010 120.570 0.170 0.000 2.439 240 I HA -0.188 3.982 4.170 -0.001 0.000 0.251 240 I C 2.164 178.336 176.117 0.092 0.000 1.139 240 I CA 0.903 62.321 61.300 0.197 0.000 1.438 240 I CB -0.081 38.102 38.000 0.306 0.000 1.085 240 I HN 0.170 nan 8.210 nan 0.000 0.427 241 A N 0.387 123.246 122.820 0.064 0.000 1.845 241 A HA -0.311 4.009 4.320 -0.001 0.000 0.215 241 A C 2.278 179.873 177.584 0.019 0.000 1.195 241 A CA 2.086 54.140 52.037 0.028 0.000 0.616 241 A CB -0.870 18.143 19.000 0.021 0.000 0.832 241 A HN 0.577 nan 8.150 nan 0.000 0.443 242 E N -0.297 119.909 120.200 0.010 0.000 2.160 242 E HA -0.247 4.102 4.350 -0.001 0.000 0.195 242 E C 2.010 178.621 176.600 0.017 0.000 0.991 242 E CA 1.498 57.901 56.400 0.004 0.000 0.810 242 E CB -0.126 29.566 29.700 -0.013 0.000 0.742 242 E HN 0.613 nan 8.360 nan 0.000 0.466 243 K N 0.296 120.717 120.400 0.034 0.000 2.211 243 K HA -0.090 4.230 4.320 -0.001 0.000 0.203 243 K C 1.727 178.351 176.600 0.040 0.000 1.050 243 K CA 1.307 57.623 56.287 0.048 0.000 0.945 243 K CB 0.226 32.776 32.500 0.085 0.000 0.732 243 K HN 0.207 nan 8.250 nan 0.000 0.451 244 V N -3.759 116.174 119.914 0.031 0.000 3.542 244 V HA 0.400 4.519 4.120 -0.001 0.000 0.296 244 V C 0.624 176.724 176.094 0.009 0.000 1.364 244 V CA 0.192 62.504 62.300 0.019 0.000 1.118 244 V CB 0.121 31.951 31.823 0.012 0.000 0.972 244 V HN 0.290 nan 8.190 nan 0.000 0.430 245 G N -0.429 108.376 108.800 0.009 0.000 2.142 245 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.225 245 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.225 245 G C 0.028 174.929 174.900 0.000 0.000 1.015 245 G CA -0.055 45.048 45.100 0.004 0.000 0.716 245 G HN 0.678 nan 8.290 nan 0.000 0.508 246 c N 0.320 118.921 118.600 0.001 0.000 2.358 246 c HA 0.658 5.227 4.570 -0.001 0.000 0.354 246 c C -1.634 172.455 174.090 -0.001 0.000 1.183 246 c CA -1.388 54.940 56.329 -0.002 0.000 2.150 246 c CB 1.364 43.873 42.510 -0.003 0.000 2.361 246 c HN 0.385 nan 8.230 nan 0.000 0.535 247 P HA 0.117 nan 4.420 nan 0.000 0.271 247 P C 0.407 177.708 177.300 0.001 0.000 1.233 247 P CA 0.231 63.331 63.100 -0.000 0.000 0.764 247 P CB 0.390 32.090 31.700 -0.000 0.000 0.825 248 V N 0.101 120.015 119.914 -0.000 0.000 3.578 248 V HA 0.032 4.151 4.120 -0.001 0.000 0.290 248 V C 1.042 177.138 176.094 0.003 0.000 1.376 248 V CA 0.645 62.944 62.300 -0.001 0.000 1.083 248 V CB -0.754 31.062 31.823 -0.012 0.000 0.911 248 V HN 0.336 nan 8.190 nan 0.000 0.433 249 D N 2.488 122.890 120.400 0.004 0.000 2.084 249 D HA -0.165 4.474 4.640 -0.001 0.000 0.194 249 D C 0.777 177.083 176.300 0.010 0.000 0.990 249 D CA 1.751 55.754 54.000 0.006 0.000 0.826 249 D CB -0.354 40.449 40.800 0.005 0.000 0.971 249 D HN 0.714 nan 8.370 nan 0.000 0.453 250 D N -0.426 119.980 120.400 0.010 0.000 2.649 250 D HA 0.077 4.716 4.640 -0.001 0.000 0.249 250 D C 1.032 177.341 176.300 0.016 0.000 1.112 250 D CA -0.282 53.726 54.000 0.014 0.000 0.850 250 D CB 1.994 42.801 40.800 0.012 0.000 1.399 250 D HN 0.144 nan 8.370 nan 0.000 0.503 251 T N 0.549 115.117 114.554 0.023 0.000 2.653 251 T HA -0.293 4.057 4.350 -0.001 0.000 0.268 251 T C 1.861 176.576 174.700 0.024 0.000 1.035 251 T CA 1.936 64.054 62.100 0.029 0.000 1.154 251 T CB -0.540 68.351 68.868 0.038 0.000 0.862 251 T HN 0.407 nan 8.240 nan 0.000 0.441 252 S N 1.774 117.486 115.700 0.019 0.000 2.359 252 S HA -0.162 4.308 4.470 -0.001 0.000 0.223 252 S C 2.533 177.138 174.600 0.007 0.000 1.039 252 S CA 2.589 60.797 58.200 0.014 0.000 1.042 252 S CB -0.911 62.295 63.200 0.011 0.000 0.915 252 S HN 0.902 nan 8.310 nan 0.000 0.439 253 K N 1.020 121.423 120.400 0.006 0.000 2.155 253 K HA 0.173 4.492 4.320 -0.001 0.000 0.203 253 K C 2.078 178.678 176.600 0.000 0.000 1.052 253 K CA 1.463 57.750 56.287 0.001 0.000 0.948 253 K CB -0.835 31.665 32.500 0.001 0.000 0.728 253 K HN 0.674 nan 8.250 nan 0.000 0.448 254 M N 0.005 119.608 119.600 0.006 0.000 2.099 254 M HA -0.040 4.440 4.480 -0.001 0.000 0.262 254 M C 2.571 178.873 176.300 0.004 0.000 1.067 254 M CA 1.743 57.047 55.300 0.007 0.000 1.124 254 M CB -0.136 32.473 32.600 0.015 0.000 1.353 254 M HN 0.401 nan 8.290 nan 0.000 0.410 255 A N 0.185 123.010 122.820 0.009 0.000 1.908 255 A HA -0.086 4.233 4.320 -0.001 0.000 0.218 255 A C 2.269 179.843 177.584 -0.018 0.000 1.181 255 A CA 1.910 53.949 52.037 0.004 0.000 0.627 255 A CB -1.728 17.282 19.000 0.017 0.000 0.818 255 A HN 0.642 nan 8.150 nan 0.000 0.445 256 G N -1.336 107.455 108.800 -0.016 0.000 2.432 256 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.219 256 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.219 256 G C 1.735 176.616 174.900 -0.031 0.000 1.135 256 G CA 1.272 46.356 45.100 -0.026 0.000 0.767 256 G HN 0.613 nan 8.290 nan 0.000 0.550 257 c N 0.000 118.586 118.600 -0.023 0.000 2.457 257 c HA 0.235 4.804 4.570 -0.001 0.000 0.278 257 c C 2.893 176.963 174.090 -0.034 0.000 1.309 257 c CA 0.514 56.828 56.329 -0.025 0.000 1.735 257 c CB -1.050 41.451 42.510 -0.015 0.000 1.992 257 c HN 0.400 nan 8.230 nan 0.000 0.493 258 L N 0.600 121.802 121.223 -0.036 0.000 2.131 258 L HA -0.120 4.219 4.340 -0.001 0.000 0.210 258 L C 2.669 179.493 176.870 -0.077 0.000 1.092 258 L CA 1.557 56.366 54.840 -0.052 0.000 0.759 258 L CB -0.530 41.501 42.059 -0.047 0.000 0.903 258 L HN 0.354 nan 8.230 nan 0.000 0.435 259 K N -0.226 120.126 120.400 -0.080 0.000 2.365 259 K HA -0.038 4.281 4.320 -0.001 0.000 0.199 259 K C 1.813 178.362 176.600 -0.084 0.000 1.045 259 K CA 0.951 57.177 56.287 -0.101 0.000 0.962 259 K CB 0.145 32.586 32.500 -0.099 0.000 0.759 259 K HN 0.338 nan 8.250 nan 0.000 0.469 260 I N -0.277 120.255 120.570 -0.064 0.000 3.708 260 I HA -0.061 4.108 4.170 -0.001 0.000 0.302 260 I C 1.173 177.261 176.117 -0.048 0.000 1.255 260 I CA -0.006 61.262 61.300 -0.053 0.000 1.362 260 I CB 0.614 38.589 38.000 -0.042 0.000 1.100 260 I HN -0.004 nan 8.210 nan 0.000 0.434 261 T N 0.714 115.240 114.554 -0.047 0.000 2.856 261 T HA -0.067 4.282 4.350 -0.001 0.000 0.306 261 T C -0.015 174.657 174.700 -0.045 0.000 1.062 261 T CA -0.266 61.810 62.100 -0.040 0.000 1.083 261 T CB 0.471 69.318 68.868 -0.035 0.000 0.984 261 T HN 0.104 nan 8.240 nan 0.000 0.542 262 D N 4.248 124.626 120.400 -0.037 0.000 2.502 262 D HA 0.066 4.705 4.640 -0.001 0.000 0.249 262 D C -0.957 175.316 176.300 -0.045 0.000 1.188 262 D CA -1.560 52.417 54.000 -0.038 0.000 0.890 262 D CB 1.029 41.812 40.800 -0.030 0.000 1.140 262 D HN 0.285 nan 8.370 nan 0.000 0.505 263 P HA -0.189 nan 4.420 nan 0.000 0.218 263 P C 1.042 178.311 177.300 -0.052 0.000 1.148 263 P CA 1.108 64.170 63.100 -0.062 0.000 0.822 263 P CB 0.275 31.935 31.700 -0.067 0.000 0.784 264 R N -0.325 120.148 120.500 -0.045 0.000 2.115 264 R HA 0.077 4.416 4.340 -0.001 0.000 0.226 264 R C 2.489 178.774 176.300 -0.025 0.000 1.100 264 R CA 1.193 57.268 56.100 -0.042 0.000 0.980 264 R CB -0.644 29.625 30.300 -0.051 0.000 0.875 264 R HN 0.165 nan 8.270 nan 0.000 0.445 265 A N 1.115 123.923 122.820 -0.021 0.000 1.930 265 A HA -0.039 4.281 4.320 -0.001 0.000 0.215 265 A C 2.075 179.663 177.584 0.007 0.000 1.176 265 A CA 0.567 52.602 52.037 -0.003 0.000 0.632 265 A CB -0.364 18.632 19.000 -0.006 0.000 0.819 265 A HN 0.200 nan 8.150 nan 0.000 0.445 266 L N -0.324 120.890 121.223 -0.015 0.000 2.046 266 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 266 L C 2.652 179.517 176.870 -0.009 0.000 1.077 266 L CA 2.186 57.010 54.840 -0.028 0.000 0.747 266 L CB -0.618 41.397 42.059 -0.074 0.000 0.896 266 L HN 0.395 nan 8.230 nan 0.000 0.432 267 T N 0.156 114.704 114.554 -0.010 0.000 2.708 267 T HA -0.183 4.167 4.350 -0.001 0.000 0.266 267 T C 1.804 176.561 174.700 0.096 0.000 1.037 267 T CA 0.938 63.052 62.100 0.023 0.000 1.146 267 T CB -0.168 68.695 68.868 -0.009 0.000 0.865 267 T HN 0.079 nan 8.240 nan 0.000 0.435 268 L N 1.221 122.488 121.223 0.073 0.000 2.265 268 L HA 0.147 4.486 4.340 -0.001 0.000 0.215 268 L C 2.600 179.564 176.870 0.157 0.000 1.117 268 L CA 1.028 55.930 54.840 0.103 0.000 0.782 268 L CB -1.460 40.634 42.059 0.059 0.000 0.914 268 L HN 0.252 nan 8.230 nan 0.000 0.441 269 A N -2.085 120.829 122.820 0.156 0.000 2.119 269 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 269 A C 0.795 178.587 177.584 0.347 0.000 1.153 269 A CA 0.135 52.288 52.037 0.195 0.000 0.692 269 A CB -0.696 18.388 19.000 0.139 0.000 0.799 269 A HN 0.318 nan 8.150 nan 0.000 0.458 270 Y N 1.714 122.150 120.300 0.227 0.000 2.585 270 Y HA 0.460 5.009 4.550 -0.001 0.000 0.354 270 Y C 0.309 176.474 175.900 0.441 0.000 1.024 270 Y CA -0.621 57.713 58.100 0.390 0.000 1.321 270 Y CB -0.722 37.944 38.460 0.343 0.000 1.151 270 Y HN 0.257 nan 8.280 nan 0.000 0.525 271 K N 5.582 126.254 120.400 0.453 0.000 2.164 271 K HA 0.717 5.037 4.320 -0.001 0.000 0.258 271 K C -1.743 174.834 176.600 -0.038 0.000 0.951 271 K CA -0.824 55.577 56.287 0.190 0.000 0.844 271 K CB 1.673 34.257 32.500 0.141 0.000 1.099 271 K HN 0.647 nan 8.250 nan 0.000 0.435 272 L N 4.478 125.523 121.223 -0.297 0.000 2.313 272 L HA 0.390 4.729 4.340 -0.001 0.000 0.273 272 L C -2.293 174.392 176.870 -0.308 0.000 1.028 272 L CA -2.412 52.136 54.840 -0.486 0.000 0.871 272 L CB 1.648 43.078 42.059 -1.048 0.000 1.242 272 L HN 0.535 nan 8.230 nan 0.000 0.434 273 P HA 0.042 nan 4.420 nan 0.000 0.263 273 P C 0.556 177.737 177.300 -0.199 0.000 1.247 273 P CA 0.122 63.056 63.100 -0.276 0.000 0.876 273 P CB 0.564 31.983 31.700 -0.468 0.000 0.928 274 L N 1.933 123.073 121.223 -0.139 0.000 2.554 274 L HA 0.119 4.458 4.340 -0.001 0.000 0.226 274 L C 1.624 178.455 176.870 -0.064 0.000 1.137 274 L CA 0.270 55.053 54.840 -0.095 0.000 0.863 274 L CB -0.373 41.636 42.059 -0.083 0.000 0.985 274 L HN 0.394 nan 8.230 nan 0.000 0.451 275 G N -0.569 108.190 108.800 -0.069 0.000 2.562 275 G HA2 0.222 4.181 3.960 -0.001 0.000 0.275 275 G HA3 0.222 4.181 3.960 -0.001 0.000 0.275 275 G C -0.141 174.736 174.900 -0.038 0.000 1.196 275 G CA -0.374 44.699 45.100 -0.045 0.000 0.908 275 G HN 0.063 nan 8.290 nan 0.000 0.524 276 S N 0.122 115.811 115.700 -0.018 0.000 2.575 276 S HA 0.333 4.802 4.470 -0.001 0.000 0.295 276 S C 0.748 175.343 174.600 -0.007 0.000 1.267 276 S CA 0.290 58.488 58.200 -0.004 0.000 1.074 276 S CB 0.157 63.359 63.200 0.002 0.000 0.829 276 S HN 0.956 nan 8.310 nan 0.000 0.497 277 T N -0.444 114.122 114.554 0.019 0.000 2.906 277 T HA 0.449 4.798 4.350 -0.001 0.000 0.295 277 T C 0.749 175.466 174.700 0.027 0.000 1.075 277 T CA -1.009 61.118 62.100 0.045 0.000 1.005 277 T CB 1.754 70.705 68.868 0.138 0.000 1.136 277 T HN 0.506 nan 8.240 nan 0.000 0.498 278 E N -0.171 119.985 120.200 -0.073 0.000 2.106 278 E HA -0.065 4.284 4.350 -0.001 0.000 0.192 278 E C -0.489 175.964 176.600 -0.245 0.000 0.984 278 E CA 0.959 57.201 56.400 -0.263 0.000 0.806 278 E CB 0.089 29.456 29.700 -0.554 0.000 0.750 278 E HN 0.603 nan 8.360 nan 0.000 0.458 279 Y N 0.316 120.645 120.300 0.049 0.000 2.496 279 Y HA 0.349 4.899 4.550 -0.000 0.000 0.331 279 Y C -2.034 173.899 175.900 0.055 0.000 1.140 279 Y CA -3.671 54.377 58.100 -0.086 0.000 1.166 279 Y CB 0.507 38.690 38.460 -0.462 0.000 1.249 279 Y HN 0.001 nan 8.280 nan 0.000 0.479 280 P HA 0.018 nan 4.420 nan 0.000 0.269 280 P C 0.080 177.505 177.300 0.209 0.000 1.215 280 P CA -0.259 62.922 63.100 0.135 0.000 0.780 280 P CB 1.203 32.923 31.700 0.033 0.000 0.898 281 K N 1.472 122.005 120.400 0.222 0.000 2.089 281 K HA -0.114 4.206 4.320 -0.001 0.000 0.210 281 K C 1.906 178.606 176.600 0.166 0.000 1.048 281 K CA 1.203 57.659 56.287 0.281 0.000 0.926 281 K CB -1.145 31.433 32.500 0.130 0.000 0.714 281 K HN 0.416 nan 8.250 nan 0.000 0.448 282 L N 1.070 122.294 121.223 0.003 0.000 2.263 282 L HA -0.212 4.128 4.340 -0.001 0.000 0.216 282 L C 2.475 179.281 176.870 -0.108 0.000 1.111 282 L CA 1.560 56.322 54.840 -0.128 0.000 0.773 282 L CB -1.101 40.797 42.059 -0.268 0.000 0.906 282 L HN 0.446 nan 8.230 nan 0.000 0.439 283 H N -0.728 118.212 119.070 -0.218 0.000 2.423 283 H HA -0.202 4.352 4.556 -0.002 0.000 0.297 283 H C 1.879 176.959 175.328 -0.415 0.000 1.075 283 H CA 1.646 57.486 56.048 -0.346 0.000 1.342 283 H CB 0.179 29.662 29.762 -0.466 0.000 1.395 283 H HN 0.302 nan 8.280 nan 0.000 0.530 284 Y N 0.622 120.867 120.300 -0.091 0.000 2.561 284 Y HA 0.094 4.644 4.550 0.000 0.000 0.291 284 Y C 1.435 177.157 175.900 -0.295 0.000 1.141 284 Y CA 0.111 58.097 58.100 -0.189 0.000 1.303 284 Y CB 0.120 38.605 38.460 0.042 0.000 1.015 284 Y HN 0.053 nan 8.280 nan 0.000 0.547 285 L N 1.405 122.557 121.223 -0.117 0.000 2.437 285 L HA 0.089 4.428 4.340 -0.001 0.000 0.243 285 L C 1.257 178.027 176.870 -0.167 0.000 1.346 285 L CA -0.067 54.795 54.840 0.036 0.000 1.233 285 L CB -0.367 41.724 42.059 0.052 0.000 1.436 285 L HN 0.226 nan 8.230 nan 0.000 0.416 286 S N -0.315 115.047 115.700 -0.563 0.000 2.446 286 S HA 0.021 4.490 4.470 -0.001 0.000 0.225 286 S C 0.625 174.748 174.600 -0.794 0.000 1.016 286 S CA 0.063 57.598 58.200 -1.109 0.000 0.943 286 S CB -0.160 61.516 63.200 -2.540 0.000 0.786 286 S HN 0.285 nan 8.310 nan 0.000 0.508 287 F N 3.999 123.802 119.950 -0.245 0.000 2.566 287 F HA 0.536 5.063 4.527 -0.001 0.000 0.349 287 F C 0.431 176.171 175.800 -0.100 0.000 1.245 287 F CA -1.167 56.730 58.000 -0.170 0.000 1.169 287 F CB 0.031 38.821 39.000 -0.351 0.000 1.470 287 F HN 0.102 nan 8.300 nan 0.000 0.634 288 V N 0.401 120.221 119.914 -0.156 0.000 3.156 288 V HA 0.742 4.861 4.120 -0.001 0.000 0.310 288 V C -2.879 172.828 176.094 -0.644 0.000 1.234 288 V CA -3.258 58.615 62.300 -0.711 0.000 1.065 288 V CB 1.935 33.424 31.823 -0.557 0.000 1.088 288 V HN 0.080 nan 8.190 nan 0.000 0.451 289 P HA 0.349 nan 4.420 nan 0.000 0.269 289 P C -0.719 176.439 177.300 -0.236 0.000 1.217 289 P CA 0.304 63.154 63.100 -0.416 0.000 0.783 289 P CB 0.552 31.951 31.700 -0.502 0.000 0.898 290 V N -1.094 118.753 119.914 -0.112 0.000 3.078 290 V HA 0.505 4.624 4.120 -0.001 0.000 0.311 290 V C -0.403 175.662 176.094 -0.048 0.000 1.138 290 V CA -1.031 61.228 62.300 -0.068 0.000 1.007 290 V CB 1.986 33.802 31.823 -0.012 0.000 1.045 290 V HN 0.246 nan 8.190 nan 0.000 0.432 291 I N 3.458 124.007 120.570 -0.034 0.000 2.278 291 I HA 0.194 4.363 4.170 -0.001 0.000 0.300 291 I C 0.726 176.847 176.117 0.007 0.000 1.174 291 I CA -0.028 61.261 61.300 -0.018 0.000 1.347 291 I CB 0.221 38.209 38.000 -0.019 0.000 1.473 291 I HN 0.913 nan 8.210 nan 0.000 0.595 292 D N 3.710 124.122 120.400 0.020 0.000 2.349 292 D HA -0.004 4.635 4.640 -0.001 0.000 0.224 292 D C 1.496 177.834 176.300 0.063 0.000 1.029 292 D CA 0.538 54.566 54.000 0.046 0.000 0.879 292 D CB 0.186 41.022 40.800 0.061 0.000 0.906 292 D HN 0.622 nan 8.370 nan 0.000 0.528 293 G N 0.358 109.188 108.800 0.050 0.000 2.155 293 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.257 293 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.257 293 G C 0.422 175.377 174.900 0.092 0.000 0.983 293 G CA 0.794 45.926 45.100 0.054 0.000 0.676 293 G HN 0.555 nan 8.290 nan 0.000 0.528 294 D N -1.889 118.589 120.400 0.130 0.000 3.000 294 D HA 0.260 4.899 4.640 -0.001 0.000 0.190 294 D C 1.638 178.084 176.300 0.242 0.000 1.503 294 D CA 0.361 54.504 54.000 0.239 0.000 1.496 294 D CB -0.589 40.395 40.800 0.306 0.000 1.163 294 D HN 0.055 nan 8.370 nan 0.000 0.231 295 F N 0.937 120.825 119.950 -0.104 0.000 2.186 295 F HA 0.295 4.821 4.527 -0.002 0.000 0.299 295 F C 0.566 176.240 175.800 -0.211 0.000 1.090 295 F CA 1.125 58.855 58.000 -0.450 0.000 1.307 295 F CB 0.346 38.726 39.000 -1.034 0.000 1.019 295 F HN 0.001 nan 8.300 nan 0.000 0.489 296 I N 2.431 123.007 120.570 0.011 0.000 2.555 296 I HA 0.199 4.368 4.170 -0.001 0.000 0.275 296 I C -1.835 174.274 176.117 -0.015 0.000 1.082 296 I CA -1.548 59.731 61.300 -0.034 0.000 1.167 296 I CB 1.268 39.260 38.000 -0.012 0.000 1.312 296 I HN -0.131 nan 8.210 nan 0.000 0.493 297 P HA 0.023 nan 4.420 nan 0.000 0.242 297 P C -0.047 177.244 177.300 -0.014 0.000 1.197 297 P CA 1.066 64.163 63.100 -0.005 0.000 0.765 297 P CB 0.580 32.271 31.700 -0.015 0.000 0.936 298 D N -1.556 118.829 120.400 -0.027 0.000 2.764 298 D HA 0.069 4.708 4.640 -0.001 0.000 0.293 298 D C -1.497 174.786 176.300 -0.028 0.000 1.287 298 D CA -0.587 53.399 54.000 -0.023 0.000 0.768 298 D CB 0.661 41.446 40.800 -0.025 0.000 1.288 298 D HN -0.275 nan 8.370 nan 0.000 0.426 299 D N 0.496 120.885 120.400 -0.019 0.000 2.455 299 D HA 0.072 4.711 4.640 -0.001 0.000 0.241 299 D C -1.535 174.760 176.300 -0.008 0.000 1.138 299 D CA -1.059 52.931 54.000 -0.018 0.000 0.877 299 D CB 1.542 42.337 40.800 -0.009 0.000 1.187 299 D HN 0.023 nan 8.370 nan 0.000 0.451 300 P HA -0.191 nan 4.420 nan 0.000 0.217 300 P C 1.542 178.923 177.300 0.134 0.000 1.151 300 P CA 0.509 63.608 63.100 -0.002 0.000 0.849 300 P CB 0.227 31.919 31.700 -0.013 0.000 0.787 301 V N -0.124 119.886 119.914 0.161 0.000 2.568 301 V HA -0.195 3.924 4.120 -0.001 0.000 0.253 301 V C 1.263 177.487 176.094 0.217 0.000 1.072 301 V CA 1.932 64.366 62.300 0.222 0.000 1.084 301 V CB -0.920 30.955 31.823 0.086 0.000 0.676 301 V HN 0.162 nan 8.190 nan 0.000 0.469 302 N N -0.424 118.344 118.700 0.114 0.000 2.270 302 N HA 0.188 4.927 4.740 -0.001 0.000 0.198 302 N C 0.910 176.430 175.510 0.016 0.000 1.117 302 N CA 0.309 53.390 53.050 0.053 0.000 0.845 302 N CB 0.556 39.051 38.487 0.013 0.000 0.980 302 N HN 0.436 nan 8.380 nan 0.000 0.486 303 L N -0.483 120.756 121.223 0.027 0.000 2.769 303 L HA 0.237 4.576 4.340 -0.001 0.000 0.240 303 L C 0.756 177.533 176.870 -0.155 0.000 1.163 303 L CA -0.122 54.664 54.840 -0.089 0.000 0.962 303 L CB -0.039 41.929 42.059 -0.151 0.000 1.258 303 L HN -0.029 nan 8.230 nan 0.000 0.513 304 Y N 0.589 120.838 120.300 -0.086 0.000 2.483 304 Y HA -0.162 4.387 4.550 -0.003 0.000 0.291 304 Y C 2.485 178.339 175.900 -0.076 0.000 1.143 304 Y CA 0.969 59.046 58.100 -0.038 0.000 1.289 304 Y CB -0.261 38.263 38.460 0.107 0.000 0.983 304 Y HN 0.253 nan 8.280 nan 0.000 0.556 305 A N 0.027 122.803 122.820 -0.072 0.000 2.067 305 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 305 A C 1.935 179.484 177.584 -0.058 0.000 1.158 305 A CA 1.491 53.483 52.037 -0.075 0.000 0.661 305 A CB -0.413 18.523 19.000 -0.107 0.000 0.801 305 A HN 0.379 nan 8.150 nan 0.000 0.452 306 N N 0.275 118.918 118.700 -0.095 0.000 2.396 306 N HA 0.019 4.758 4.740 -0.001 0.000 0.180 306 N C 1.210 176.668 175.510 -0.087 0.000 1.028 306 N CA 1.184 54.170 53.050 -0.106 0.000 0.893 306 N CB -0.213 38.183 38.487 -0.153 0.000 0.967 306 N HN 0.468 nan 8.380 nan 0.000 0.440 307 A N -0.367 122.409 122.820 -0.072 0.000 2.465 307 A HA 0.557 4.877 4.320 -0.001 0.000 0.255 307 A C 1.875 179.532 177.584 0.122 0.000 1.274 307 A CA 0.295 52.328 52.037 -0.006 0.000 0.920 307 A CB -0.031 18.915 19.000 -0.091 0.000 1.033 307 A HN 0.149 nan 8.150 nan 0.000 0.516 308 A N 0.185 123.042 122.820 0.061 0.000 1.978 308 A HA -0.139 4.180 4.320 -0.001 0.000 0.220 308 A C 1.224 178.833 177.584 0.042 0.000 1.170 308 A CA 1.722 53.782 52.037 0.037 0.000 0.636 308 A CB -0.159 18.857 19.000 0.025 0.000 0.810 308 A HN 0.398 nan 8.150 nan 0.000 0.448 309 D N -0.776 119.660 120.400 0.060 0.000 2.462 309 D HA 0.247 4.886 4.640 -0.001 0.000 0.221 309 D C -0.622 175.736 176.300 0.096 0.000 1.173 309 D CA 0.131 54.169 54.000 0.063 0.000 0.831 309 D CB 0.775 41.594 40.800 0.032 0.000 1.001 309 D HN 0.124 nan 8.370 nan 0.000 0.499 310 V N 2.018 122.030 119.914 0.163 0.000 2.347 310 V HA 0.104 4.223 4.120 -0.001 0.000 0.280 310 V C 0.337 176.614 176.094 0.305 0.000 1.021 310 V CA -0.929 61.472 62.300 0.168 0.000 0.847 310 V CB 1.945 33.823 31.823 0.091 0.000 0.990 310 V HN -0.032 nan 8.190 nan 0.000 0.444 311 D N 3.323 123.873 120.400 0.251 0.000 2.443 311 D HA 0.139 4.778 4.640 -0.001 0.000 0.239 311 D C -0.852 175.800 176.300 0.587 0.000 1.136 311 D CA 0.604 54.845 54.000 0.400 0.000 0.879 311 D CB 1.144 42.049 40.800 0.175 0.000 1.195 311 D HN 0.468 nan 8.370 nan 0.000 0.443 312 Y N 1.755 122.255 120.300 0.332 0.000 2.433 312 Y HA 0.417 4.966 4.550 -0.001 0.000 0.337 312 Y C -1.164 174.664 175.900 -0.120 0.000 1.026 312 Y CA -1.026 57.062 58.100 -0.020 0.000 1.037 312 Y CB 0.993 39.034 38.460 -0.699 0.000 1.245 312 Y HN 0.241 nan 8.280 nan 0.000 0.443 313 I N 5.285 125.559 120.570 -0.492 0.000 2.436 313 I HA 0.760 4.929 4.170 -0.001 0.000 0.289 313 I C -0.737 175.009 176.117 -0.617 0.000 1.010 313 I CA -0.881 60.046 61.300 -0.621 0.000 1.098 313 I CB 1.637 39.079 38.000 -0.930 0.000 1.266 313 I HN 0.749 nan 8.210 nan 0.000 0.434 314 A N 4.592 127.105 122.820 -0.513 0.000 2.398 314 A HA 0.955 5.274 4.320 -0.001 0.000 0.301 314 A C -0.451 176.965 177.584 -0.279 0.000 1.041 314 A CA -0.455 51.347 52.037 -0.392 0.000 0.711 314 A CB 1.793 20.442 19.000 -0.584 0.000 1.240 314 A HN 0.840 nan 8.150 nan 0.000 0.420 315 G N -0.097 108.467 108.800 -0.394 0.000 2.649 315 G HA2 0.831 4.790 3.960 -0.001 0.000 0.290 315 G HA3 0.831 4.790 3.960 -0.001 0.000 0.290 315 G C -0.611 173.933 174.900 -0.593 0.000 1.426 315 G CA 0.187 44.633 45.100 -1.091 0.000 0.794 315 G HN 1.540 nan 8.290 nan 0.000 0.483 316 T N -1.857 112.410 114.554 -0.479 0.000 2.838 316 T HA 0.676 5.025 4.350 -0.001 0.000 0.292 316 T C -0.986 173.756 174.700 0.070 0.000 1.113 316 T CA -1.018 61.034 62.100 -0.079 0.000 1.008 316 T CB 1.995 70.867 68.868 0.007 0.000 1.259 316 T HN 0.394 nan 8.240 nan 0.000 0.520 317 N N 0.694 119.466 118.700 0.121 0.000 2.466 317 N HA 0.370 5.109 4.740 -0.001 0.000 0.294 317 N C 0.619 176.217 175.510 0.146 0.000 1.129 317 N CA -0.865 52.324 53.050 0.231 0.000 0.931 317 N CB 1.375 40.015 38.487 0.255 0.000 1.193 317 N HN 0.879 nan 8.380 nan 0.000 0.500 318 D N 1.022 121.508 120.400 0.143 0.000 2.204 318 D HA -0.179 4.461 4.640 -0.001 0.000 0.189 318 D C 0.163 176.529 176.300 0.110 0.000 1.006 318 D CA 1.937 55.992 54.000 0.092 0.000 0.855 318 D CB 0.164 40.997 40.800 0.056 0.000 0.946 318 D HN 0.513 nan 8.370 nan 0.000 0.448 319 M N 0.145 119.818 119.600 0.122 0.000 3.080 319 M HA 0.117 4.596 4.480 -0.001 0.000 0.288 319 M C 0.184 176.579 176.300 0.158 0.000 1.224 319 M CA -0.344 55.045 55.300 0.148 0.000 0.787 319 M CB 1.378 34.056 32.600 0.130 0.000 1.368 319 M HN -0.155 nan 8.290 nan 0.000 0.511 320 D N 1.353 121.831 120.400 0.129 0.000 2.158 320 D HA -0.120 4.519 4.640 -0.001 0.000 0.197 320 D C 1.888 178.300 176.300 0.187 0.000 0.995 320 D CA 1.639 55.658 54.000 0.031 0.000 0.846 320 D CB 0.260 40.930 40.800 -0.218 0.000 0.941 320 D HN 0.618 nan 8.370 nan 0.000 0.456 321 G N -0.897 108.114 108.800 0.350 0.000 2.744 321 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.211 321 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.211 321 G C 1.412 176.489 174.900 0.294 0.000 1.143 321 G CA 0.299 45.677 45.100 0.464 0.000 0.788 321 G HN 0.407 nan 8.290 nan 0.000 0.534 322 H N 0.339 119.466 119.070 0.095 0.000 2.319 322 H HA -0.132 4.423 4.556 -0.001 0.000 0.297 322 H C 2.431 177.660 175.328 -0.165 0.000 1.097 322 H CA 1.609 57.637 56.048 -0.034 0.000 1.285 322 H CB -0.113 29.575 29.762 -0.123 0.000 1.368 322 H HN 0.265 nan 8.280 nan 0.000 0.495 323 L N 0.627 121.653 121.223 -0.329 0.000 2.043 323 L HA -0.214 4.125 4.340 -0.001 0.000 0.212 323 L C 2.167 178.671 176.870 -0.611 0.000 1.075 323 L CA 1.764 56.259 54.840 -0.575 0.000 0.752 323 L CB -0.968 40.660 42.059 -0.717 0.000 0.891 323 L HN 0.170 nan 8.230 nan 0.000 0.432 324 F N -2.125 117.745 119.950 -0.134 0.000 2.149 324 F HA -0.040 4.487 4.527 0.000 0.000 0.294 324 F C 2.544 178.281 175.800 -0.105 0.000 1.095 324 F CA 1.362 59.289 58.000 -0.122 0.000 1.276 324 F CB -1.315 37.615 39.000 -0.118 0.000 1.023 324 F HN -0.101 nan 8.300 nan 0.000 0.480 325 V N 0.346 120.311 119.914 0.086 0.000 2.594 325 V HA -0.128 3.991 4.120 -0.001 0.000 0.253 325 V C 2.280 178.355 176.094 -0.032 0.000 1.069 325 V CA 2.109 64.438 62.300 0.047 0.000 1.082 325 V CB -0.941 30.938 31.823 0.093 0.000 0.680 325 V HN 0.417 nan 8.190 nan 0.000 0.469 326 G N -0.904 107.785 108.800 -0.184 0.000 2.509 326 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.218 326 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.218 326 G C 1.452 176.283 174.900 -0.115 0.000 1.124 326 G CA 0.878 45.841 45.100 -0.228 0.000 0.776 326 G HN 0.518 nan 8.290 nan 0.000 0.547 327 M N 0.186 119.734 119.600 -0.087 0.000 2.435 327 M HA 0.091 4.570 4.480 -0.001 0.000 0.265 327 M C 1.546 177.845 176.300 -0.001 0.000 1.104 327 M CA 0.724 55.998 55.300 -0.044 0.000 1.140 327 M CB 0.100 32.676 32.600 -0.039 0.000 1.372 327 M HN 0.028 nan 8.290 nan 0.000 0.456 328 D N 0.040 120.452 120.400 0.020 0.000 2.183 328 D HA 0.023 4.662 4.640 -0.001 0.000 0.205 328 D C 0.472 176.798 176.300 0.044 0.000 0.962 328 D CA 1.083 55.109 54.000 0.043 0.000 0.849 328 D CB 0.607 41.440 40.800 0.055 0.000 0.978 328 D HN 0.135 nan 8.370 nan 0.000 0.488 329 V N 2.205 122.145 119.914 0.044 0.000 2.383 329 V HA 0.133 4.252 4.120 -0.001 0.000 0.264 329 V C -1.940 174.183 176.094 0.049 0.000 1.001 329 V CA -1.016 61.322 62.300 0.064 0.000 0.828 329 V CB 1.932 33.819 31.823 0.106 0.000 1.069 329 V HN -0.149 nan 8.190 nan 0.000 0.451 330 P HA -0.156 nan 4.420 nan 0.000 0.221 330 P C 1.642 178.975 177.300 0.056 0.000 1.145 330 P CA 1.498 64.615 63.100 0.028 0.000 0.795 330 P CB 0.357 32.071 31.700 0.023 0.000 0.775 331 A N -0.848 122.015 122.820 0.071 0.000 2.125 331 A HA -0.157 4.162 4.320 -0.001 0.000 0.219 331 A C 2.071 179.728 177.584 0.122 0.000 1.156 331 A CA 0.979 53.068 52.037 0.087 0.000 0.671 331 A CB -1.498 17.553 19.000 0.086 0.000 0.794 331 A HN 0.159 nan 8.150 nan 0.000 0.459 332 I N 0.232 120.885 120.570 0.139 0.000 2.264 332 I HA -0.270 3.899 4.170 -0.001 0.000 0.248 332 I C 1.604 177.860 176.117 0.232 0.000 1.111 332 I CA 1.207 62.638 61.300 0.218 0.000 1.382 332 I CB -0.310 37.818 38.000 0.213 0.000 1.060 332 I HN 0.331 nan 8.210 nan 0.000 0.418 333 N N -0.147 118.647 118.700 0.156 0.000 2.424 333 N HA -0.018 4.721 4.740 -0.001 0.000 0.178 333 N C 0.752 176.334 175.510 0.121 0.000 1.060 333 N CA 0.330 53.476 53.050 0.160 0.000 0.901 333 N CB 0.106 38.720 38.487 0.211 0.000 0.979 333 N HN 0.071 nan 8.380 nan 0.000 0.451 334 S N 0.086 115.850 115.700 0.108 0.000 2.475 334 S HA 0.381 4.850 4.470 -0.001 0.000 0.281 334 S C 1.082 175.737 174.600 0.090 0.000 1.198 334 S CA -0.228 58.021 58.200 0.081 0.000 1.063 334 S CB 0.386 63.625 63.200 0.064 0.000 0.972 334 S HN 0.429 nan 8.310 nan 0.000 0.486 335 N N 4.090 122.835 118.700 0.074 0.000 2.463 335 N HA 0.039 4.778 4.740 -0.001 0.000 0.181 335 N C 1.586 177.131 175.510 0.057 0.000 1.078 335 N CA 0.885 53.983 53.050 0.078 0.000 0.902 335 N CB -0.283 38.242 38.487 0.065 0.000 0.970 335 N HN 0.734 nan 8.380 nan 0.000 0.451 336 K N -0.442 119.986 120.400 0.047 0.000 2.078 336 K HA 0.061 4.380 4.320 -0.001 0.000 0.203 336 K C 1.565 178.188 176.600 0.038 0.000 1.043 336 K CA 0.980 57.289 56.287 0.036 0.000 0.960 336 K CB -0.240 32.277 32.500 0.028 0.000 0.761 336 K HN 0.561 nan 8.250 nan 0.000 0.448 337 Q N 1.546 121.373 119.800 0.045 0.000 2.394 337 Q HA 0.130 4.469 4.340 -0.001 0.000 0.248 337 Q C -0.781 175.250 176.000 0.053 0.000 0.992 337 Q CA 0.229 56.061 55.803 0.047 0.000 0.888 337 Q CB 0.495 29.264 28.738 0.051 0.000 1.257 337 Q HN 0.273 nan 8.270 nan 0.000 0.462 338 D N -0.788 119.641 120.400 0.048 0.000 2.392 338 D HA 0.727 5.366 4.640 -0.001 0.000 0.246 338 D C -1.060 175.276 176.300 0.060 0.000 1.013 338 D CA -0.512 53.515 54.000 0.044 0.000 0.993 338 D CB 2.116 42.933 40.800 0.029 0.000 1.219 338 D HN 0.404 nan 8.370 nan 0.000 0.538 339 V N 0.682 120.630 119.914 0.057 0.000 2.588 339 V HA 0.508 4.627 4.120 -0.001 0.000 0.304 339 V C 0.302 176.452 176.094 0.094 0.000 1.042 339 V CA -0.725 61.631 62.300 0.093 0.000 0.877 339 V CB 1.745 33.637 31.823 0.114 0.000 0.996 339 V HN 0.778 nan 8.190 nan 0.000 0.425 340 T N 0.262 114.905 114.554 0.148 0.000 2.936 340 T HA 0.429 4.779 4.350 -0.001 0.000 0.282 340 T C 0.797 175.686 174.700 0.316 0.000 1.003 340 T CA -0.549 61.656 62.100 0.176 0.000 1.005 340 T CB 1.631 70.587 68.868 0.147 0.000 1.097 340 T HN 0.629 nan 8.240 nan 0.000 0.532 341 E N -0.140 120.282 120.200 0.369 0.000 2.204 341 E HA -0.127 4.222 4.350 -0.001 0.000 0.194 341 E C 1.946 178.856 176.600 0.516 0.000 0.989 341 E CA 0.583 57.343 56.400 0.599 0.000 0.824 341 E CB 0.079 30.120 29.700 0.568 0.000 0.756 341 E HN 0.576 nan 8.360 nan 0.000 0.477 342 E N 1.216 121.600 120.200 0.306 0.000 2.028 342 E HA -0.173 4.176 4.350 -0.001 0.000 0.191 342 E C 1.672 178.434 176.600 0.270 0.000 0.988 342 E CA 0.996 57.531 56.400 0.224 0.000 0.799 342 E CB -0.104 29.679 29.700 0.137 0.000 0.755 342 E HN 0.220 nan 8.360 nan 0.000 0.447 343 D N -0.018 120.535 120.400 0.256 0.000 2.158 343 D HA -0.184 4.455 4.640 -0.001 0.000 0.197 343 D C 1.776 178.249 176.300 0.289 0.000 0.995 343 D CA 0.732 54.869 54.000 0.229 0.000 0.846 343 D CB -0.478 40.449 40.800 0.212 0.000 0.941 343 D HN 0.159 nan 8.370 nan 0.000 0.456 344 F N 0.089 120.215 119.950 0.295 0.000 2.206 344 F HA -0.169 4.358 4.527 -0.001 0.000 0.298 344 F C 2.231 178.235 175.800 0.339 0.000 1.090 344 F CA 0.774 58.977 58.000 0.339 0.000 1.323 344 F CB -0.406 38.887 39.000 0.487 0.000 1.028 344 F HN -0.088 nan 8.300 nan 0.000 0.492 345 Y N 1.438 121.879 120.300 0.234 0.000 2.242 345 Y HA -0.143 4.407 4.550 -0.001 0.000 0.291 345 Y C 2.490 178.353 175.900 -0.061 0.000 1.137 345 Y CA 2.701 60.802 58.100 0.001 0.000 1.181 345 Y CB -0.882 37.446 38.460 -0.219 0.000 0.989 345 Y HN 0.017 nan 8.280 nan 0.000 0.527 346 K N 0.442 120.842 120.400 -0.000 0.000 2.057 346 K HA -0.122 4.197 4.320 -0.001 0.000 0.207 346 K C 1.937 178.452 176.600 -0.142 0.000 1.049 346 K CA 1.536 57.786 56.287 -0.062 0.000 0.931 346 K CB -1.391 31.135 32.500 0.044 0.000 0.714 346 K HN 0.448 nan 8.250 nan 0.000 0.440 347 L N 0.600 121.735 121.223 -0.148 0.000 1.994 347 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 347 L C 2.560 179.266 176.870 -0.273 0.000 1.071 347 L CA 2.245 56.979 54.840 -0.176 0.000 0.745 347 L CB -0.387 41.568 42.059 -0.173 0.000 0.892 347 L HN 0.290 nan 8.230 nan 0.000 0.431 348 V N -0.712 118.931 119.914 -0.451 0.000 2.407 348 V HA -0.219 3.901 4.120 -0.001 0.000 0.248 348 V C 2.580 178.516 176.094 -0.263 0.000 1.055 348 V CA 2.281 64.356 62.300 -0.376 0.000 1.049 348 V CB -0.712 30.867 31.823 -0.407 0.000 0.662 348 V HN 0.809 nan 8.190 nan 0.000 0.455 349 S N 0.618 116.085 115.700 -0.387 0.000 2.382 349 S HA -0.033 4.437 4.470 -0.001 0.000 0.228 349 S C 2.157 176.696 174.600 -0.102 0.000 1.027 349 S CA 1.373 59.398 58.200 -0.291 0.000 0.991 349 S CB -1.385 61.571 63.200 -0.407 0.000 0.823 349 S HN 0.825 nan 8.310 nan 0.000 0.469 350 G N 1.702 110.458 108.800 -0.073 0.000 2.422 350 G HA2 0.006 3.966 3.960 -0.001 0.000 0.218 350 G HA3 0.006 3.966 3.960 -0.001 0.000 0.218 350 G C 1.402 176.289 174.900 -0.021 0.000 1.146 350 G CA 0.781 45.910 45.100 0.048 0.000 0.769 350 G HN 0.529 nan 8.290 nan 0.000 0.547 351 L N 1.002 122.185 121.223 -0.067 0.000 2.492 351 L HA 0.101 4.440 4.340 -0.001 0.000 0.223 351 L C 2.148 178.998 176.870 -0.033 0.000 1.132 351 L CA 1.278 56.068 54.840 -0.084 0.000 0.850 351 L CB 0.097 42.089 42.059 -0.112 0.000 0.966 351 L HN 0.346 nan 8.230 nan 0.000 0.454 352 T N -5.746 108.824 114.554 0.027 0.000 3.228 352 T HA 0.160 4.509 4.350 -0.001 0.000 0.278 352 T C 1.446 176.223 174.700 0.129 0.000 1.014 352 T CA -0.206 62.001 62.100 0.178 0.000 0.904 352 T CB 0.129 69.174 68.868 0.297 0.000 1.110 352 T HN -0.110 nan 8.240 nan 0.000 0.541 353 V N 2.520 122.441 119.914 0.011 0.000 2.277 353 V HA -0.296 3.823 4.120 -0.001 0.000 0.255 353 V C 2.911 178.998 176.094 -0.012 0.000 1.074 353 V CA 2.756 65.039 62.300 -0.029 0.000 1.058 353 V CB -1.494 30.223 31.823 -0.176 0.000 0.656 353 V HN 0.630 nan 8.190 nan 0.000 0.449 354 T N -0.651 113.906 114.554 0.004 0.000 2.737 354 T HA -0.193 4.157 4.350 -0.001 0.000 0.269 354 T C 1.509 176.197 174.700 -0.020 0.000 1.040 354 T CA 1.341 63.441 62.100 0.001 0.000 1.142 354 T CB -0.206 68.688 68.868 0.043 0.000 0.861 354 T HN 0.368 nan 8.240 nan 0.000 0.456 355 K N 0.774 121.169 120.400 -0.009 0.000 2.399 355 K HA 0.375 4.695 4.320 -0.001 0.000 0.204 355 K C 1.429 178.006 176.600 -0.039 0.000 1.023 355 K CA 0.238 56.458 56.287 -0.113 0.000 1.127 355 K CB 0.055 32.317 32.500 -0.397 0.000 0.856 355 K HN 0.414 nan 8.250 nan 0.000 0.514 356 G N 1.909 110.712 108.800 0.004 0.000 2.581 356 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.291 356 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.291 356 G C 0.956 175.883 174.900 0.046 0.000 1.277 356 G CA 0.388 45.501 45.100 0.021 0.000 0.959 356 G HN 0.242 nan 8.290 nan 0.000 0.554 357 L N 0.760 122.017 121.223 0.056 0.000 2.046 357 L HA -0.041 4.298 4.340 -0.001 0.000 0.208 357 L C 3.760 180.695 176.870 0.107 0.000 1.077 357 L CA 2.934 57.833 54.840 0.099 0.000 0.747 357 L CB -1.084 41.027 42.059 0.087 0.000 0.896 357 L HN 0.840 nan 8.230 nan 0.000 0.432 358 R N 0.604 121.141 120.500 0.062 0.000 2.073 358 R HA -0.067 4.272 4.340 -0.001 0.000 0.234 358 R C 2.310 178.661 176.300 0.086 0.000 1.134 358 R CA 1.594 57.729 56.100 0.057 0.000 0.952 358 R CB -2.201 28.104 30.300 0.008 0.000 0.850 358 R HN 0.499 nan 8.270 nan 0.000 0.433 359 G N 0.244 109.074 108.800 0.050 0.000 2.440 359 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.218 359 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.218 359 G C 1.993 177.070 174.900 0.295 0.000 1.154 359 G CA 1.500 46.674 45.100 0.123 0.000 0.767 359 G HN 0.871 nan 8.290 nan 0.000 0.552 360 A N -0.087 122.848 122.820 0.190 0.000 1.969 360 A HA -0.025 4.294 4.320 -0.001 0.000 0.218 360 A C 2.255 179.980 177.584 0.236 0.000 1.169 360 A CA 1.952 54.063 52.037 0.122 0.000 0.635 360 A CB -0.387 18.576 19.000 -0.062 0.000 0.810 360 A HN 0.476 nan 8.150 nan 0.000 0.445 361 Q N -0.580 119.385 119.800 0.274 0.000 2.020 361 Q HA -0.073 4.266 4.340 -0.001 0.000 0.198 361 Q C 2.260 178.414 176.000 0.257 0.000 0.974 361 Q CA 1.364 57.344 55.803 0.295 0.000 0.829 361 Q CB -0.331 28.521 28.738 0.190 0.000 0.894 361 Q HN 0.577 nan 8.270 nan 0.000 0.433 362 A N 0.012 122.971 122.820 0.232 0.000 1.940 362 A HA -0.200 4.120 4.320 -0.001 0.000 0.219 362 A C 2.175 179.855 177.584 0.161 0.000 1.176 362 A CA 2.077 54.259 52.037 0.241 0.000 0.631 362 A CB -0.923 18.289 19.000 0.353 0.000 0.814 362 A HN 0.496 nan 8.150 nan 0.000 0.446 363 T N -2.014 112.710 114.554 0.284 0.000 2.770 363 T HA -0.103 4.246 4.350 -0.001 0.000 0.263 363 T C 1.804 176.589 174.700 0.141 0.000 1.039 363 T CA 1.433 63.612 62.100 0.132 0.000 1.142 363 T CB -0.417 68.602 68.868 0.251 0.000 0.868 363 T HN 0.582 nan 8.240 nan 0.000 0.435 364 Y N 2.141 122.509 120.300 0.114 0.000 2.274 364 Y HA -0.161 4.388 4.550 -0.002 0.000 0.290 364 Y C 2.474 178.424 175.900 0.083 0.000 1.145 364 Y CA 1.756 59.976 58.100 0.199 0.000 1.203 364 Y CB -0.115 38.526 38.460 0.302 0.000 0.984 364 Y HN 0.150 nan 8.280 nan 0.000 0.533 365 E N 0.057 120.312 120.200 0.092 0.000 2.015 365 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 365 E C 2.104 178.548 176.600 -0.261 0.000 0.991 365 E CA 2.174 58.530 56.400 -0.073 0.000 0.802 365 E CB -0.793 28.904 29.700 -0.005 0.000 0.759 365 E HN 0.277 nan 8.360 nan 0.000 0.447 366 V N 0.157 119.857 119.914 -0.357 0.000 2.332 366 V HA -0.262 3.857 4.120 -0.001 0.000 0.248 366 V C 2.107 177.933 176.094 -0.447 0.000 1.055 366 V CA 2.128 64.107 62.300 -0.536 0.000 1.038 366 V CB -0.765 30.427 31.823 -1.052 0.000 0.651 366 V HN 0.345 nan 8.190 nan 0.000 0.450 367 Y N 0.996 121.110 120.300 -0.309 0.000 2.516 367 Y HA -0.093 4.455 4.550 -0.002 0.000 0.291 367 Y C 2.611 178.087 175.900 -0.707 0.000 1.131 367 Y CA 1.355 59.317 58.100 -0.230 0.000 1.281 367 Y CB -0.511 37.983 38.460 0.057 0.000 1.013 367 Y HN 0.475 nan 8.280 nan 0.000 0.554 368 T N -4.395 109.651 114.554 -0.847 0.000 3.022 368 T HA 0.049 4.398 4.350 -0.001 0.000 0.250 368 T C 1.411 175.679 174.700 -0.720 0.000 1.060 368 T CA 0.200 61.420 62.100 -1.468 0.000 1.013 368 T CB 0.004 67.919 68.868 -1.589 0.000 0.982 368 T HN 0.266 nan 8.240 nan 0.000 0.508 369 E N 2.320 122.260 120.200 -0.433 0.000 2.097 369 E HA -0.082 4.267 4.350 -0.001 0.000 0.196 369 E C -0.546 175.983 176.600 -0.120 0.000 1.000 369 E CA 1.413 57.674 56.400 -0.231 0.000 0.804 369 E CB -0.739 28.827 29.700 -0.223 0.000 0.740 369 E HN 0.544 nan 8.360 nan 0.000 0.454 370 P HA -0.101 nan 4.420 nan 0.000 0.245 370 P C 0.199 177.610 177.300 0.184 0.000 1.212 370 P CA 0.482 63.605 63.100 0.040 0.000 0.774 370 P CB -0.084 31.653 31.700 0.062 0.000 0.999 371 W N 0.814 122.045 121.300 -0.116 0.000 2.800 371 W HA 0.344 5.004 4.660 -0.000 0.000 0.249 371 W C 1.322 177.790 176.519 -0.083 0.000 1.294 371 W CA 0.270 57.544 57.345 -0.118 0.000 1.402 371 W CB -1.291 28.081 29.460 -0.147 0.000 1.126 371 W HN 0.062 nan 8.180 nan 0.000 0.652 372 A N 0.759 123.662 122.820 0.139 0.000 2.704 372 A HA -0.353 3.967 4.320 -0.001 0.000 0.299 372 A C 1.014 178.639 177.584 0.069 0.000 1.507 372 A CA 1.444 53.521 52.037 0.067 0.000 0.776 372 A CB -2.207 16.814 19.000 0.035 0.000 1.027 372 A HN 0.495 nan 8.150 nan 0.000 0.475 373 Q N -2.128 117.737 119.800 0.108 0.000 2.358 373 Q HA -0.270 4.069 4.340 -0.001 0.000 0.318 373 Q C 0.251 176.290 176.000 0.065 0.000 1.243 373 Q CA 1.491 57.356 55.803 0.103 0.000 0.949 373 Q CB -0.722 28.059 28.738 0.071 0.000 1.224 373 Q HN 0.949 nan 8.270 nan 0.000 0.473 374 D N -1.645 118.780 120.400 0.041 0.000 3.048 374 D HA 0.029 4.669 4.640 -0.001 0.000 0.290 374 D C -0.666 175.588 176.300 -0.078 0.000 1.667 374 D CA 0.610 54.603 54.000 -0.012 0.000 0.835 374 D CB 0.114 40.908 40.800 -0.010 0.000 1.438 374 D HN 0.222 nan 8.370 nan 0.000 0.463 375 S N -0.087 115.532 115.700 -0.135 0.000 2.552 375 S HA 0.355 4.825 4.470 -0.001 0.000 0.289 375 S C 0.776 175.169 174.600 -0.346 0.000 1.304 375 S CA -0.253 57.737 58.200 -0.350 0.000 1.063 375 S CB 1.015 63.718 63.200 -0.828 0.000 0.848 375 S HN 0.306 nan 8.310 nan 0.000 0.499 376 S N 2.688 118.192 115.700 -0.326 0.000 2.681 376 S HA 0.284 4.753 4.470 -0.001 0.000 0.270 376 S C 1.020 175.431 174.600 -0.315 0.000 1.209 376 S CA -0.806 57.243 58.200 -0.252 0.000 0.988 376 S CB 0.567 63.651 63.200 -0.193 0.000 1.006 376 S HN 0.729 nan 8.310 nan 0.000 0.558 377 Q N 0.805 120.479 119.800 -0.210 0.000 2.050 377 Q HA -0.157 4.183 4.340 -0.001 0.000 0.202 377 Q C 2.126 177.995 176.000 -0.219 0.000 0.980 377 Q CA 2.065 57.760 55.803 -0.179 0.000 0.840 377 Q CB -0.749 27.948 28.738 -0.068 0.000 0.898 377 Q HN 0.999 nan 8.270 nan 0.000 0.424 378 E N -0.250 119.815 120.200 -0.226 0.000 2.130 378 E HA -0.176 4.173 4.350 -0.001 0.000 0.196 378 E C 1.593 177.827 176.600 -0.611 0.000 0.998 378 E CA 1.680 57.829 56.400 -0.417 0.000 0.806 378 E CB 0.163 29.626 29.700 -0.395 0.000 0.738 378 E HN 0.267 nan 8.360 nan 0.000 0.459 379 T N 0.430 114.691 114.554 -0.488 0.000 2.777 379 T HA -0.100 4.249 4.350 -0.001 0.000 0.266 379 T C 1.828 176.202 174.700 -0.542 0.000 1.040 379 T CA 1.405 63.203 62.100 -0.503 0.000 1.141 379 T CB -0.171 68.389 68.868 -0.513 0.000 0.868 379 T HN 0.224 nan 8.240 nan 0.000 0.444 380 R N 1.077 121.180 120.500 -0.661 0.000 2.075 380 R HA 0.020 4.359 4.340 -0.001 0.000 0.232 380 R C 2.559 178.768 176.300 -0.152 0.000 1.126 380 R CA 1.158 56.905 56.100 -0.588 0.000 0.963 380 R CB -0.150 29.767 30.300 -0.638 0.000 0.858 380 R HN 0.358 nan 8.270 nan 0.000 0.435 381 K N 0.779 121.094 120.400 -0.143 0.000 2.097 381 K HA -0.156 4.163 4.320 -0.001 0.000 0.206 381 K C 2.088 178.689 176.600 0.002 0.000 1.049 381 K CA 1.186 57.496 56.287 0.039 0.000 0.933 381 K CB -0.055 32.546 32.500 0.168 0.000 0.717 381 K HN 0.054 nan 8.250 nan 0.000 0.442 382 K N 0.668 120.851 120.400 -0.362 0.000 2.097 382 K HA -0.104 4.215 4.320 -0.001 0.000 0.205 382 K C 1.809 178.402 176.600 -0.012 0.000 1.050 382 K CA 1.557 57.627 56.287 -0.361 0.000 0.938 382 K CB 0.064 32.186 32.500 -0.631 0.000 0.718 382 K HN 0.025 nan 8.250 nan 0.000 0.442 383 T N 1.270 115.849 114.554 0.042 0.000 2.821 383 T HA -0.101 4.248 4.350 -0.001 0.000 0.267 383 T C 1.756 176.643 174.700 0.312 0.000 1.046 383 T CA 1.397 63.616 62.100 0.199 0.000 1.139 383 T CB -0.067 68.976 68.868 0.292 0.000 0.871 383 T HN 0.239 nan 8.240 nan 0.000 0.454 384 M N 0.558 120.362 119.600 0.339 0.000 2.117 384 M HA -0.082 4.398 4.480 -0.001 0.000 0.262 384 M C 2.439 178.913 176.300 0.290 0.000 1.065 384 M CA 1.244 56.807 55.300 0.438 0.000 1.114 384 M CB -0.623 32.208 32.600 0.385 0.000 1.361 384 M HN 0.099 nan 8.290 nan 0.000 0.408 385 V N 0.435 120.511 119.914 0.270 0.000 2.295 385 V HA -0.276 3.843 4.120 -0.001 0.000 0.246 385 V C 1.856 178.087 176.094 0.228 0.000 1.049 385 V CA 1.870 64.330 62.300 0.267 0.000 1.024 385 V CB -0.735 31.295 31.823 0.345 0.000 0.648 385 V HN 0.413 nan 8.190 nan 0.000 0.447 386 D N -0.142 120.385 120.400 0.212 0.000 2.149 386 D HA -0.159 4.481 4.640 -0.001 0.000 0.198 386 D C 2.018 178.454 176.300 0.227 0.000 0.990 386 D CA 1.234 55.348 54.000 0.191 0.000 0.839 386 D CB -0.188 40.703 40.800 0.152 0.000 0.948 386 D HN 0.340 nan 8.370 nan 0.000 0.460 387 L N 1.603 122.943 121.223 0.194 0.000 1.989 387 L HA -0.168 4.171 4.340 -0.001 0.000 0.211 387 L C 1.939 178.800 176.870 -0.015 0.000 1.071 387 L CA 1.833 56.644 54.840 -0.049 0.000 0.749 387 L CB -0.507 41.456 42.059 -0.160 0.000 0.890 387 L HN -0.048 nan 8.230 nan 0.000 0.431 388 E N -1.308 118.920 120.200 0.047 0.000 2.152 388 E HA -0.149 4.200 4.350 -0.001 0.000 0.192 388 E C 1.944 178.616 176.600 0.120 0.000 0.983 388 E CA 1.469 57.892 56.400 0.038 0.000 0.818 388 E CB -0.166 29.593 29.700 0.098 0.000 0.758 388 E HN 0.566 nan 8.360 nan 0.000 0.467 389 T N 1.517 116.196 114.554 0.208 0.000 2.746 389 T HA -0.135 4.214 4.350 -0.001 0.000 0.267 389 T C 1.315 176.142 174.700 0.212 0.000 1.039 389 T CA 1.384 63.663 62.100 0.299 0.000 1.142 389 T CB -0.217 68.790 68.868 0.232 0.000 0.866 389 T HN 0.082 nan 8.240 nan 0.000 0.444 390 D N 0.994 121.466 120.400 0.119 0.000 2.078 390 D HA -0.010 4.629 4.640 -0.001 0.000 0.193 390 D C 2.149 178.352 176.300 -0.161 0.000 0.990 390 D CA 0.911 54.943 54.000 0.054 0.000 0.827 390 D CB -0.443 40.486 40.800 0.215 0.000 0.975 390 D HN 0.326 nan 8.370 nan 0.000 0.451 391 I N 0.529 120.900 120.570 -0.331 0.000 2.179 391 I HA -0.230 3.940 4.170 -0.001 0.000 0.242 391 I C 2.383 178.284 176.117 -0.359 0.000 1.088 391 I CA 0.851 61.823 61.300 -0.546 0.000 1.357 391 I CB -0.188 37.453 38.000 -0.598 0.000 1.051 391 I HN -0.022 nan 8.210 nan 0.000 0.409 392 L N -1.151 119.888 121.223 -0.307 0.000 2.179 392 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 392 L C 1.802 178.336 176.870 -0.559 0.000 1.096 392 L CA 1.256 55.813 54.840 -0.472 0.000 0.779 392 L CB -0.246 41.293 42.059 -0.866 0.000 0.922 392 L HN 0.189 nan 8.230 nan 0.000 0.443 393 F N -2.702 117.308 119.950 0.100 0.000 2.102 393 F HA 0.103 4.630 4.527 0.000 0.000 0.254 393 F C 1.686 177.515 175.800 0.047 0.000 0.975 393 F CA -0.350 57.731 58.000 0.135 0.000 1.176 393 F CB -0.615 38.491 39.000 0.176 0.000 1.358 393 F HN -0.302 nan 8.300 nan 0.000 0.728 394 L N 1.149 122.511 121.223 0.232 0.000 1.971 394 L HA -0.183 4.156 4.340 -0.001 0.000 0.215 394 L C 2.157 179.053 176.870 0.043 0.000 1.072 394 L CA 1.872 56.774 54.840 0.103 0.000 0.758 394 L CB -0.809 41.301 42.059 0.086 0.000 0.889 394 L HN 0.068 nan 8.230 nan 0.000 0.433 395 I N 0.507 121.081 120.570 0.006 0.000 2.142 395 I HA -0.171 3.999 4.170 -0.001 0.000 0.240 395 I C -0.228 175.870 176.117 -0.031 0.000 1.078 395 I CA 1.677 62.968 61.300 -0.014 0.000 1.343 395 I CB -3.062 34.877 38.000 -0.101 0.000 1.046 395 I HN 0.293 nan 8.210 nan 0.000 0.405 396 P HA -0.093 nan 4.420 nan 0.000 0.220 396 P C 1.605 178.894 177.300 -0.018 0.000 1.148 396 P CA 1.457 64.519 63.100 -0.064 0.000 0.803 396 P CB -0.206 31.417 31.700 -0.127 0.000 0.782 397 T N 0.419 114.979 114.554 0.009 0.000 2.812 397 T HA -0.068 4.282 4.350 -0.001 0.000 0.264 397 T C 1.834 176.501 174.700 -0.054 0.000 1.042 397 T CA 1.268 63.370 62.100 0.004 0.000 1.140 397 T CB -0.361 68.513 68.868 0.011 0.000 0.870 397 T HN 0.243 nan 8.240 nan 0.000 0.445 398 K N 0.827 121.200 120.400 -0.045 0.000 2.063 398 K HA -0.011 4.308 4.320 -0.001 0.000 0.208 398 K C 2.297 178.861 176.600 -0.060 0.000 1.048 398 K CA 1.325 57.579 56.287 -0.055 0.000 0.928 398 K CB -0.332 32.178 32.500 0.015 0.000 0.713 398 K HN 0.383 nan 8.250 nan 0.000 0.442 399 I N -0.225 120.323 120.570 -0.036 0.000 2.439 399 I HA -0.153 4.016 4.170 -0.001 0.000 0.251 399 I C 2.128 178.177 176.117 -0.112 0.000 1.139 399 I CA 1.021 62.289 61.300 -0.053 0.000 1.438 399 I CB -0.041 37.937 38.000 -0.036 0.000 1.085 399 I HN 0.050 nan 8.210 nan 0.000 0.427 400 A N 0.718 123.496 122.820 -0.070 0.000 1.873 400 A HA -0.123 4.197 4.320 -0.001 0.000 0.215 400 A C 2.310 179.907 177.584 0.021 0.000 1.186 400 A CA 1.945 53.973 52.037 -0.015 0.000 0.616 400 A CB -1.119 17.997 19.000 0.193 0.000 0.823 400 A HN 0.351 nan 8.150 nan 0.000 0.442 401 V N -0.104 119.765 119.914 -0.074 0.000 2.343 401 V HA -0.256 3.863 4.120 -0.001 0.000 0.247 401 V C 3.051 179.002 176.094 -0.239 0.000 1.051 401 V CA 2.012 64.176 62.300 -0.226 0.000 1.036 401 V CB -1.156 30.334 31.823 -0.555 0.000 0.654 401 V HN 0.620 nan 8.190 nan 0.000 0.451 402 A N -0.979 121.719 122.820 -0.203 0.000 1.898 402 A HA -0.262 4.057 4.320 -0.001 0.000 0.216 402 A C 2.142 179.695 177.584 -0.052 0.000 1.181 402 A CA 1.960 53.995 52.037 -0.003 0.000 0.620 402 A CB -0.486 18.544 19.000 0.050 0.000 0.819 402 A HN 0.511 nan 8.150 nan 0.000 0.442 403 Q N -0.924 118.774 119.800 -0.170 0.000 2.079 403 Q HA -0.161 4.178 4.340 -0.001 0.000 0.200 403 Q C 1.971 177.889 176.000 -0.136 0.000 0.974 403 Q CA 1.877 57.495 55.803 -0.307 0.000 0.840 403 Q CB -0.486 27.830 28.738 -0.705 0.000 0.898 403 Q HN 0.857 nan 8.270 nan 0.000 0.430 404 H N -0.483 118.563 119.070 -0.039 0.000 2.321 404 H HA -0.125 4.429 4.556 -0.002 0.000 0.300 404 H C 1.803 177.219 175.328 0.146 0.000 1.087 404 H CA 1.871 58.057 56.048 0.230 0.000 1.319 404 H CB 0.344 30.348 29.762 0.403 0.000 1.379 404 H HN 0.057 nan 8.280 nan 0.000 0.501 405 K N 0.638 121.088 120.400 0.083 0.000 2.032 405 K HA -0.114 4.205 4.320 -0.001 0.000 0.209 405 K C 2.610 179.179 176.600 -0.051 0.000 1.048 405 K CA 1.706 58.028 56.287 0.058 0.000 0.927 405 K CB -0.738 31.924 32.500 0.270 0.000 0.712 405 K HN 0.097 nan 8.250 nan 0.000 0.441 406 S N -0.859 114.769 115.700 -0.121 0.000 2.399 406 S HA -0.142 4.327 4.470 -0.001 0.000 0.231 406 S C 1.467 175.906 174.600 -0.268 0.000 1.022 406 S CA 1.456 59.511 58.200 -0.241 0.000 0.983 406 S CB -0.336 62.626 63.200 -0.395 0.000 0.803 406 S HN 0.625 nan 8.310 nan 0.000 0.480 407 H N -0.000 119.051 119.070 -0.031 0.000 2.648 407 H HA 0.527 5.082 4.556 -0.002 0.000 0.265 407 H C 0.900 176.188 175.328 -0.067 0.000 0.961 407 H CA 0.036 56.070 56.048 -0.023 0.000 1.185 407 H CB 0.189 29.971 29.762 0.033 0.000 1.449 407 H HN 0.418 nan 8.280 nan 0.000 0.523 408 A N 1.527 124.305 122.820 -0.070 0.000 2.561 408 A HA -0.001 4.318 4.320 -0.001 0.000 0.234 408 A C 0.784 178.344 177.584 -0.040 0.000 1.055 408 A CA 0.252 52.203 52.037 -0.143 0.000 0.756 408 A CB 0.499 19.337 19.000 -0.270 0.000 0.986 408 A HN 0.414 nan 8.150 nan 0.000 0.505 409 K N 0.937 121.326 120.400 -0.017 0.000 2.312 409 K HA 0.080 4.399 4.320 -0.001 0.000 0.230 409 K C 1.208 177.812 176.600 0.006 0.000 1.048 409 K CA 0.981 57.269 56.287 0.002 0.000 0.938 409 K CB -0.070 32.436 32.500 0.010 0.000 1.139 409 K HN 0.793 nan 8.250 nan 0.000 0.461 410 S N 0.555 116.264 115.700 0.016 0.000 2.537 410 S HA 0.480 4.949 4.470 -0.001 0.000 0.246 410 S C -0.116 174.510 174.600 0.043 0.000 1.036 410 S CA -0.829 57.385 58.200 0.024 0.000 1.041 410 S CB 0.442 63.654 63.200 0.021 0.000 0.799 410 S HN 0.315 nan 8.310 nan 0.000 0.456 411 A N 1.468 124.319 122.820 0.052 0.000 2.355 411 A HA 0.783 5.102 4.320 -0.001 0.000 0.324 411 A C -0.434 177.230 177.584 0.135 0.000 1.117 411 A CA -0.856 51.251 52.037 0.117 0.000 0.785 411 A CB 0.763 19.866 19.000 0.171 0.000 1.254 411 A HN 0.373 nan 8.150 nan 0.000 0.453 412 N N 0.344 119.168 118.700 0.208 0.000 2.495 412 N HA 0.651 5.390 4.740 -0.001 0.000 0.280 412 N C -0.770 174.871 175.510 0.219 0.000 1.168 412 N CA 0.101 53.233 53.050 0.137 0.000 0.978 412 N CB 1.420 40.036 38.487 0.215 0.000 1.191 412 N HN 0.557 nan 8.380 nan 0.000 0.497 413 T N 1.205 115.719 114.554 -0.067 0.000 2.879 413 T HA 0.520 4.869 4.350 -0.001 0.000 0.290 413 T C -1.189 173.293 174.700 -0.363 0.000 0.993 413 T CA -0.375 61.750 62.100 0.043 0.000 0.975 413 T CB 0.441 69.474 68.868 0.275 0.000 0.981 413 T HN 0.246 nan 8.240 nan 0.000 0.439 414 Y N 0.384 120.645 120.300 -0.065 0.000 2.576 414 Y HA 0.764 5.314 4.550 -0.001 0.000 0.346 414 Y C 0.438 176.353 175.900 0.024 0.000 1.018 414 Y CA -0.869 57.174 58.100 -0.095 0.000 1.050 414 Y CB 2.709 40.762 38.460 -0.678 0.000 1.280 414 Y HN 0.586 nan 8.280 nan 0.000 0.474 415 T N 1.509 116.382 114.554 0.532 0.000 2.923 415 T HA 0.638 4.987 4.350 -0.001 0.000 0.311 415 T C -1.931 173.133 174.700 0.607 0.000 1.183 415 T CA -0.585 61.739 62.100 0.373 0.000 1.020 415 T CB 0.785 69.696 68.868 0.071 0.000 1.165 415 T HN 0.570 nan 8.240 nan 0.000 0.482 416 Y N 2.091 122.582 120.300 0.318 0.000 2.644 416 Y HA 0.892 5.442 4.550 -0.001 0.000 0.338 416 Y C -1.951 174.041 175.900 0.153 0.000 1.119 416 Y CA -1.668 56.527 58.100 0.158 0.000 1.060 416 Y CB 1.258 39.712 38.460 -0.010 0.000 1.294 416 Y HN 0.566 nan 8.280 nan 0.000 0.472 417 L N 3.075 124.480 121.223 0.303 0.000 2.406 417 L HA 0.494 4.834 4.340 -0.001 0.000 0.270 417 L C -1.914 175.166 176.870 0.350 0.000 0.982 417 L CA -0.798 54.155 54.840 0.188 0.000 0.843 417 L CB 1.094 43.207 42.059 0.091 0.000 1.225 417 L HN 0.696 nan 8.230 nan 0.000 0.412 418 F N 4.360 124.493 119.950 0.306 0.000 2.421 418 F HA 0.453 4.979 4.527 -0.002 0.000 0.358 418 F C 0.774 176.631 175.800 0.094 0.000 1.115 418 F CA 0.439 58.558 58.000 0.199 0.000 1.160 418 F CB 1.175 40.321 39.000 0.243 0.000 1.123 418 F HN 0.653 nan 8.300 nan 0.000 0.508 419 S N 3.037 118.435 115.700 -0.503 0.000 2.749 419 S HA 0.135 4.604 4.470 -0.001 0.000 0.246 419 S C 0.028 174.333 174.600 -0.493 0.000 1.023 419 S CA -0.614 57.373 58.200 -0.355 0.000 1.012 419 S CB -0.271 62.843 63.200 -0.142 0.000 0.942 419 S HN 0.656 nan 8.310 nan 0.000 0.531 420 Q N 4.551 123.757 119.800 -0.989 0.000 2.244 420 Q HA 0.239 4.579 4.340 -0.001 0.000 0.276 420 Q C -2.416 173.430 176.000 -0.257 0.000 1.122 420 Q CA -1.747 53.677 55.803 -0.631 0.000 0.920 420 Q CB 0.242 28.492 28.738 -0.813 0.000 1.186 420 Q HN 0.268 nan 8.270 nan 0.000 0.393 421 P HA -0.092 nan 4.420 nan 0.000 0.264 421 P C -0.538 176.776 177.300 0.022 0.000 1.183 421 P CA 0.127 63.202 63.100 -0.042 0.000 0.763 421 P CB 0.827 32.504 31.700 -0.039 0.000 0.807 422 S N 2.104 117.822 115.700 0.031 0.000 2.560 422 S HA -0.002 4.468 4.470 -0.001 0.000 0.284 422 S C 1.167 175.785 174.600 0.031 0.000 1.327 422 S CA -0.253 57.987 58.200 0.065 0.000 1.055 422 S CB -0.003 63.231 63.200 0.057 0.000 0.868 422 S HN 0.371 nan 8.310 nan 0.000 0.506 423 R N 3.204 123.727 120.500 0.038 0.000 2.393 423 R HA 0.289 4.629 4.340 -0.001 0.000 0.244 423 R C 0.004 176.267 176.300 -0.062 0.000 0.920 423 R CA 0.109 56.203 56.100 -0.009 0.000 1.076 423 R CB -0.152 30.150 30.300 0.002 0.000 1.119 423 R HN 0.562 nan 8.270 nan 0.000 0.524 424 M N 1.784 121.344 119.600 -0.067 0.000 2.307 424 M HA 0.119 4.598 4.480 -0.001 0.000 0.346 424 M C -1.621 174.556 176.300 -0.206 0.000 1.552 424 M CA -1.946 53.244 55.300 -0.183 0.000 1.116 424 M CB 0.754 33.176 32.600 -0.296 0.000 1.889 424 M HN -0.120 nan 8.290 nan 0.000 0.460 425 P HA -0.085 nan 4.420 nan 0.000 0.219 425 P C 1.505 178.693 177.300 -0.187 0.000 1.150 425 P CA 1.092 64.094 63.100 -0.164 0.000 0.814 425 P CB -0.098 31.517 31.700 -0.142 0.000 0.787 426 I N -5.277 115.117 120.570 -0.294 0.000 2.394 426 I HA -0.131 4.038 4.170 -0.001 0.000 0.251 426 I C 0.519 176.539 176.117 -0.162 0.000 1.136 426 I CA 1.024 62.158 61.300 -0.275 0.000 1.425 426 I CB -1.020 36.752 38.000 -0.380 0.000 1.079 426 I HN -0.194 nan 8.210 nan 0.000 0.425 427 Y N 2.972 123.205 120.300 -0.113 0.000 2.300 427 Y HA 0.444 4.993 4.550 -0.001 0.000 0.328 427 Y C -1.886 173.840 175.900 -0.290 0.000 1.270 427 Y CA -3.852 54.138 58.100 -0.184 0.000 1.352 427 Y CB -0.758 37.554 38.460 -0.247 0.000 1.286 427 Y HN -0.011 nan 8.280 nan 0.000 0.536 428 P HA 0.066 nan 4.420 nan 0.000 0.269 428 P C 0.314 177.299 177.300 -0.524 0.000 1.215 428 P CA 0.086 62.889 63.100 -0.495 0.000 0.780 428 P CB 0.674 31.809 31.700 -0.941 0.000 0.898 429 K N 2.716 122.948 120.400 -0.280 0.000 2.211 429 K HA -0.124 4.195 4.320 -0.001 0.000 0.204 429 K C 1.642 178.199 176.600 -0.072 0.000 1.047 429 K CA 1.955 58.167 56.287 -0.124 0.000 0.935 429 K CB -1.488 31.010 32.500 -0.004 0.000 0.728 429 K HN 0.835 nan 8.250 nan 0.000 0.452 430 W N -1.275 120.019 121.300 -0.010 0.000 3.180 430 W HA 0.349 5.008 4.660 -0.002 0.000 0.254 430 W C -0.054 176.444 176.519 -0.035 0.000 1.318 430 W CA -0.762 56.571 57.345 -0.020 0.000 1.608 430 W CB -0.578 28.872 29.460 -0.017 0.000 1.124 430 W HN -0.028 nan 8.180 nan 0.000 0.694 431 M N 2.560 121.949 119.600 -0.352 0.000 2.269 431 M HA 0.156 4.636 4.480 -0.001 0.000 0.350 431 M C 1.071 177.312 176.300 -0.098 0.000 1.429 431 M CA 0.516 55.599 55.300 -0.362 0.000 1.063 431 M CB 0.513 32.818 32.600 -0.491 0.000 1.841 431 M HN 0.144 nan 8.290 nan 0.000 0.455 432 G N 2.950 111.734 108.800 -0.027 0.000 3.022 432 G HA2 0.599 4.558 3.960 -0.001 0.000 0.157 432 G HA3 0.599 4.558 3.960 -0.001 0.000 0.157 432 G C -0.812 174.087 174.900 -0.002 0.000 1.468 432 G CA -0.195 44.908 45.100 0.004 0.000 1.058 432 G HN 0.834 nan 8.290 nan 0.000 0.581 433 A N 0.192 123.036 122.820 0.041 0.000 2.310 433 A HA 0.508 4.827 4.320 -0.001 0.000 0.300 433 A C -0.213 177.460 177.584 0.149 0.000 1.269 433 A CA -0.252 51.875 52.037 0.150 0.000 0.909 433 A CB 0.228 19.377 19.000 0.249 0.000 1.144 433 A HN 0.468 nan 8.150 nan 0.000 0.540 434 D N 0.599 121.072 120.400 0.121 0.000 2.411 434 D HA 0.181 4.821 4.640 -0.001 0.000 0.251 434 D C 0.250 176.623 176.300 0.122 0.000 1.201 434 D CA -0.111 53.949 54.000 0.100 0.000 0.996 434 D CB 0.437 41.286 40.800 0.081 0.000 1.101 434 D HN 0.654 nan 8.370 nan 0.000 0.504 435 H N 0.265 119.314 119.070 -0.035 0.000 3.001 435 H HA 0.282 4.837 4.556 -0.001 0.000 0.334 435 H C 0.804 176.114 175.328 -0.031 0.000 1.034 435 H CA 1.198 57.189 56.048 -0.095 0.000 1.420 435 H CB 0.255 29.926 29.762 -0.151 0.000 1.405 435 H HN 0.470 nan 8.280 nan 0.000 0.593 436 A N 3.864 126.438 122.820 -0.411 0.000 3.396 436 A HA -0.301 4.018 4.320 -0.001 0.000 0.267 436 A C 1.956 179.464 177.584 -0.128 0.000 1.139 436 A CA 1.383 53.260 52.037 -0.266 0.000 1.115 436 A CB -2.128 16.764 19.000 -0.181 0.000 1.133 436 A HN 0.793 nan 8.150 nan 0.000 0.920 437 D N 0.833 121.212 120.400 -0.035 0.000 2.221 437 D HA -0.119 4.521 4.640 -0.001 0.000 0.204 437 D C 1.735 178.009 176.300 -0.044 0.000 0.982 437 D CA 1.454 55.500 54.000 0.077 0.000 0.857 437 D CB -0.276 40.703 40.800 0.298 0.000 0.934 437 D HN 0.862 nan 8.370 nan 0.000 0.475 438 D N 0.272 120.417 120.400 -0.426 0.000 2.219 438 D HA -0.146 4.493 4.640 -0.001 0.000 0.205 438 D C 2.294 178.363 176.300 -0.385 0.000 0.970 438 D CA 0.242 53.733 54.000 -0.848 0.000 0.851 438 D CB -0.578 39.632 40.800 -0.983 0.000 0.943 438 D HN 0.276 nan 8.370 nan 0.000 0.488 439 L N 1.052 122.112 121.223 -0.270 0.000 2.013 439 L HA -0.269 4.071 4.340 -0.001 0.000 0.212 439 L C 2.984 179.686 176.870 -0.280 0.000 1.073 439 L CA 2.088 56.777 54.840 -0.252 0.000 0.753 439 L CB -0.835 41.046 42.059 -0.297 0.000 0.890 439 L HN 0.185 nan 8.230 nan 0.000 0.432 440 Q N -0.755 118.846 119.800 -0.332 0.000 2.234 440 Q HA -0.236 4.103 4.340 -0.001 0.000 0.206 440 Q C 1.918 177.584 176.000 -0.557 0.000 0.980 440 Q CA 1.792 57.343 55.803 -0.421 0.000 0.869 440 Q CB -0.448 28.061 28.738 -0.382 0.000 0.912 440 Q HN 0.483 nan 8.270 nan 0.000 0.436 441 Y N 0.680 120.833 120.300 -0.245 0.000 2.262 441 Y HA -0.007 4.542 4.550 -0.002 0.000 0.295 441 Y C 2.520 178.231 175.900 -0.316 0.000 1.121 441 Y CA 0.450 58.387 58.100 -0.271 0.000 1.144 441 Y CB -0.284 38.058 38.460 -0.197 0.000 1.043 441 Y HN -0.102 nan 8.280 nan 0.000 0.528 442 V N -0.804 118.959 119.914 -0.252 0.000 2.407 442 V HA -0.278 3.841 4.120 -0.001 0.000 0.248 442 V C 1.431 177.283 176.094 -0.403 0.000 1.055 442 V CA 1.653 63.702 62.300 -0.419 0.000 1.049 442 V CB -0.691 30.876 31.823 -0.426 0.000 0.662 442 V HN 0.254 nan 8.190 nan 0.000 0.455 443 F N 0.554 120.229 119.950 -0.458 0.000 2.732 443 F HA 0.414 4.940 4.527 -0.002 0.000 0.303 443 F C 1.785 177.365 175.800 -0.366 0.000 1.110 443 F CA 0.288 58.005 58.000 -0.472 0.000 1.355 443 F CB -0.496 38.136 39.000 -0.613 0.000 1.081 443 F HN 0.252 nan 8.300 nan 0.000 0.565 444 G N 0.704 109.388 108.800 -0.194 0.000 2.305 444 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.287 444 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.287 444 G C 1.446 176.252 174.900 -0.156 0.000 1.036 444 G CA 0.398 45.456 45.100 -0.071 0.000 0.887 444 G HN 0.200 nan 8.290 nan 0.000 0.505 445 K N -0.574 119.627 120.400 -0.332 0.000 2.209 445 K HA -0.058 4.261 4.320 -0.001 0.000 0.204 445 K C -0.190 176.116 176.600 -0.489 0.000 1.048 445 K CA 1.382 57.472 56.287 -0.328 0.000 0.940 445 K CB -0.921 31.427 32.500 -0.252 0.000 0.729 445 K HN 0.380 nan 8.250 nan 0.000 0.451 446 P HA -0.073 nan 4.420 nan 0.000 0.225 446 P C 0.862 177.794 177.300 -0.614 0.000 1.148 446 P CA 1.006 63.454 63.100 -1.086 0.000 0.779 446 P CB 0.019 31.028 31.700 -1.151 0.000 0.780 447 F N -1.168 118.677 119.950 -0.176 0.000 2.453 447 F HA 0.264 4.790 4.527 -0.002 0.000 0.284 447 F C 2.398 178.164 175.800 -0.055 0.000 1.065 447 F CA 0.487 58.432 58.000 -0.092 0.000 1.411 447 F CB -1.419 37.517 39.000 -0.107 0.000 1.131 447 F HN -0.196 nan 8.300 nan 0.000 0.582 448 A N -0.222 122.661 122.820 0.106 0.000 1.877 448 A HA -0.099 4.221 4.320 -0.001 0.000 0.216 448 A C 1.232 178.865 177.584 0.081 0.000 1.186 448 A CA 1.977 54.052 52.037 0.063 0.000 0.620 448 A CB -1.339 17.662 19.000 0.001 0.000 0.822 448 A HN 0.293 nan 8.150 nan 0.000 0.443 449 T N -3.279 111.334 114.554 0.099 0.000 3.327 449 T HA 0.449 4.798 4.350 -0.001 0.000 0.373 449 T C -1.719 173.098 174.700 0.194 0.000 1.589 449 T CA -1.152 61.034 62.100 0.144 0.000 1.497 449 T CB 1.588 70.571 68.868 0.193 0.000 1.032 449 T HN 0.213 nan 8.240 nan 0.000 0.640 450 P HA -0.102 nan 4.420 nan 0.000 0.215 450 P C 2.221 179.592 177.300 0.119 0.000 1.157 450 P CA 1.084 64.258 63.100 0.124 0.000 0.863 450 P CB -0.173 31.578 31.700 0.084 0.000 0.787 451 L N 0.282 121.546 121.223 0.068 0.000 2.197 451 L HA -0.063 4.276 4.340 -0.001 0.000 0.215 451 L C 2.601 179.456 176.870 -0.025 0.000 1.095 451 L CA 2.695 57.548 54.840 0.023 0.000 0.764 451 L CB -2.524 39.541 42.059 0.011 0.000 0.897 451 L HN 0.276 nan 8.230 nan 0.000 0.436 452 G N -3.201 105.562 108.800 -0.061 0.000 3.042 452 G HA2 0.334 4.293 3.960 -0.001 0.000 0.212 452 G HA3 0.334 4.293 3.960 -0.001 0.000 0.212 452 G C 0.270 174.890 174.900 -0.467 0.000 1.166 452 G CA -0.071 44.869 45.100 -0.266 0.000 0.767 452 G HN 0.630 nan 8.290 nan 0.000 0.546 453 Y N -1.108 119.160 120.300 -0.055 0.000 2.598 453 Y HA 0.635 5.185 4.550 -0.001 0.000 0.340 453 Y C 0.543 176.413 175.900 -0.050 0.000 1.038 453 Y CA -1.206 56.857 58.100 -0.061 0.000 1.100 453 Y CB 1.537 39.936 38.460 -0.102 0.000 1.281 453 Y HN -0.217 nan 8.280 nan 0.000 0.488 454 R N -0.061 120.530 120.500 0.152 0.000 2.691 454 R HA 0.634 4.973 4.340 -0.001 0.000 0.259 454 R C 0.822 177.150 176.300 0.047 0.000 1.048 454 R CA 0.181 56.323 56.100 0.069 0.000 1.086 454 R CB 1.520 31.848 30.300 0.047 0.000 1.166 454 R HN 0.943 nan 8.270 nan 0.000 0.526 455 A N 1.129 123.962 122.820 0.020 0.000 1.917 455 A HA -0.272 4.047 4.320 -0.001 0.000 0.219 455 A C 1.912 179.491 177.584 -0.010 0.000 1.182 455 A CA 2.024 54.062 52.037 0.003 0.000 0.633 455 A CB -0.654 18.351 19.000 0.008 0.000 0.819 455 A HN 0.836 nan 8.150 nan 0.000 0.448 456 Q N -0.847 118.952 119.800 -0.002 0.000 2.226 456 Q HA -0.191 4.148 4.340 -0.001 0.000 0.204 456 Q C 0.963 176.946 176.000 -0.029 0.000 0.975 456 Q CA 1.490 57.281 55.803 -0.020 0.000 0.866 456 Q CB -0.445 28.280 28.738 -0.021 0.000 0.915 456 Q HN 0.574 nan 8.270 nan 0.000 0.440 457 D N 1.246 121.666 120.400 0.033 0.000 2.123 457 D HA -0.077 4.562 4.640 -0.001 0.000 0.200 457 D C 1.942 178.202 176.300 -0.066 0.000 0.976 457 D CA 0.882 54.960 54.000 0.130 0.000 0.831 457 D CB -0.086 40.881 40.800 0.278 0.000 0.974 457 D HN 0.332 nan 8.370 nan 0.000 0.469 458 R N 0.268 120.637 120.500 -0.217 0.000 2.115 458 R HA -0.048 4.292 4.340 -0.001 0.000 0.230 458 R C 2.294 178.527 176.300 -0.112 0.000 1.111 458 R CA 1.132 56.959 56.100 -0.454 0.000 0.976 458 R CB -0.213 29.854 30.300 -0.389 0.000 0.870 458 R HN 0.107 nan 8.270 nan 0.000 0.445 459 T N 0.499 115.024 114.554 -0.047 0.000 2.708 459 T HA -0.099 4.250 4.350 -0.001 0.000 0.266 459 T C 1.967 176.648 174.700 -0.031 0.000 1.037 459 T CA 1.374 63.469 62.100 -0.009 0.000 1.146 459 T CB -0.141 68.710 68.868 -0.028 0.000 0.865 459 T HN -0.007 nan 8.240 nan 0.000 0.435 460 V N 1.223 121.073 119.914 -0.107 0.000 2.295 460 V HA -0.161 3.958 4.120 -0.001 0.000 0.246 460 V C 2.722 178.776 176.094 -0.068 0.000 1.049 460 V CA 1.936 64.130 62.300 -0.177 0.000 1.024 460 V CB -0.905 30.607 31.823 -0.519 0.000 0.648 460 V HN 0.489 nan 8.190 nan 0.000 0.447 461 S N -0.401 115.316 115.700 0.028 0.000 2.359 461 S HA -0.309 4.160 4.470 -0.001 0.000 0.224 461 S C 2.164 176.850 174.600 0.144 0.000 1.035 461 S CA 2.338 60.599 58.200 0.103 0.000 1.018 461 S CB -0.324 62.861 63.200 -0.025 0.000 0.876 461 S HN 0.611 nan 8.310 nan 0.000 0.448 462 K N 0.529 121.077 120.400 0.247 0.000 2.032 462 K HA -0.099 4.220 4.320 -0.001 0.000 0.209 462 K C 2.186 178.798 176.600 0.021 0.000 1.048 462 K CA 1.404 57.802 56.287 0.185 0.000 0.927 462 K CB -0.594 32.032 32.500 0.210 0.000 0.712 462 K HN 0.398 nan 8.250 nan 0.000 0.441 463 A N 1.193 124.016 122.820 0.005 0.000 1.877 463 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 463 A C 2.183 179.802 177.584 0.058 0.000 1.186 463 A CA 1.832 53.845 52.037 -0.039 0.000 0.620 463 A CB -0.483 18.543 19.000 0.044 0.000 0.822 463 A HN 0.362 nan 8.150 nan 0.000 0.443 464 M N -0.777 118.852 119.600 0.049 0.000 2.086 464 M HA -0.086 4.393 4.480 -0.001 0.000 0.261 464 M C 2.193 178.455 176.300 -0.063 0.000 1.067 464 M CA 1.574 56.835 55.300 -0.065 0.000 1.116 464 M CB -0.619 31.757 32.600 -0.374 0.000 1.348 464 M HN 0.369 nan 8.290 nan 0.000 0.407 465 I N 0.386 120.897 120.570 -0.099 0.000 2.264 465 I HA -0.270 3.899 4.170 -0.001 0.000 0.248 465 I C 2.763 178.895 176.117 0.025 0.000 1.111 465 I CA 1.166 62.415 61.300 -0.084 0.000 1.382 465 I CB -0.594 37.337 38.000 -0.117 0.000 1.060 465 I HN 0.267 nan 8.210 nan 0.000 0.418 466 A N 0.515 123.332 122.820 -0.004 0.000 1.851 466 A HA -0.251 4.068 4.320 -0.001 0.000 0.216 466 A C 2.158 179.780 177.584 0.064 0.000 1.195 466 A CA 1.680 53.693 52.037 -0.041 0.000 0.622 466 A CB -1.124 17.764 19.000 -0.186 0.000 0.831 466 A HN 0.351 nan 8.150 nan 0.000 0.444 467 Y N -1.555 118.886 120.300 0.235 0.000 2.128 467 Y HA -0.259 4.290 4.550 -0.001 0.000 0.284 467 Y C 2.508 178.603 175.900 0.325 0.000 1.154 467 Y CA 1.126 59.428 58.100 0.336 0.000 1.149 467 Y CB -0.659 38.173 38.460 0.620 0.000 0.976 467 Y HN 0.456 nan 8.280 nan 0.000 0.505 468 W N 0.520 121.906 121.300 0.144 0.000 2.333 468 W HA -0.261 4.399 4.660 -0.001 0.000 0.316 468 W C 2.578 179.083 176.519 -0.022 0.000 1.215 468 W CA 2.117 59.468 57.345 0.010 0.000 1.278 468 W CB -0.711 28.676 29.460 -0.121 0.000 1.154 468 W HN 0.218 nan 8.180 nan 0.000 0.486 469 T N -1.965 112.689 114.554 0.167 0.000 2.867 469 T HA -0.153 4.196 4.350 -0.001 0.000 0.268 469 T C 1.377 176.101 174.700 0.040 0.000 1.057 469 T CA 1.340 63.459 62.100 0.032 0.000 1.136 469 T CB -0.566 68.292 68.868 -0.017 0.000 0.874 469 T HN -0.072 nan 8.240 nan 0.000 0.466 470 N N 0.977 119.728 118.700 0.084 0.000 2.106 470 N HA 0.028 4.767 4.740 -0.001 0.000 0.188 470 N C 1.338 176.870 175.510 0.036 0.000 1.029 470 N CA 0.968 54.053 53.050 0.059 0.000 0.848 470 N CB -0.799 37.733 38.487 0.074 0.000 1.007 470 N HN 0.443 nan 8.380 nan 0.000 0.423 471 F N 1.735 121.618 119.950 -0.112 0.000 2.091 471 F HA -0.172 4.354 4.527 -0.002 0.000 0.299 471 F C 2.128 177.853 175.800 -0.126 0.000 1.103 471 F CA 1.534 59.417 58.000 -0.194 0.000 1.228 471 F CB -0.610 38.182 39.000 -0.348 0.000 0.984 471 F HN 0.058 nan 8.300 nan 0.000 0.477 472 A N 0.076 122.825 122.820 -0.118 0.000 1.940 472 A HA -0.239 4.080 4.320 -0.001 0.000 0.219 472 A C 2.253 179.730 177.584 -0.178 0.000 1.176 472 A CA 1.976 53.907 52.037 -0.177 0.000 0.631 472 A CB -0.778 18.172 19.000 -0.084 0.000 0.814 472 A HN 0.485 nan 8.150 nan 0.000 0.446 473 R N -0.722 119.703 120.500 -0.124 0.000 2.100 473 R HA -0.043 4.296 4.340 -0.001 0.000 0.220 473 R C 1.925 178.162 176.300 -0.106 0.000 1.091 473 R CA 2.126 58.171 56.100 -0.091 0.000 0.986 473 R CB -0.173 30.102 30.300 -0.042 0.000 0.888 473 R HN 0.571 nan 8.270 nan 0.000 0.444 474 T N -5.543 108.930 114.554 -0.135 0.000 2.958 474 T HA 0.287 4.636 4.350 -0.001 0.000 0.256 474 T C 1.164 175.767 174.700 -0.161 0.000 0.983 474 T CA 0.261 62.296 62.100 -0.110 0.000 0.924 474 T CB 0.953 69.794 68.868 -0.046 0.000 1.136 474 T HN 0.308 nan 8.240 nan 0.000 0.506 475 G N 1.266 109.852 108.800 -0.356 0.000 2.141 475 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.242 475 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.242 475 G C -0.379 174.518 174.900 -0.006 0.000 0.982 475 G CA 0.158 44.981 45.100 -0.462 0.000 0.662 475 G HN 0.776 nan 8.290 nan 0.000 0.527 476 D N -0.522 119.879 120.400 0.002 0.000 2.736 476 D HA 0.479 5.118 4.640 -0.001 0.000 0.243 476 D C -1.697 174.560 176.300 -0.071 0.000 1.304 476 D CA -1.763 52.242 54.000 0.009 0.000 0.934 476 D CB 1.924 42.770 40.800 0.077 0.000 1.382 476 D HN -0.024 nan 8.370 nan 0.000 0.571 477 P HA -0.023 nan 4.420 nan 0.000 0.225 477 P C 0.868 178.279 177.300 0.184 0.000 1.148 477 P CA 0.697 63.754 63.100 -0.072 0.000 0.779 477 P CB 0.411 31.850 31.700 -0.436 0.000 0.780 478 N N -1.070 117.696 118.700 0.110 0.000 2.376 478 N HA -0.008 4.731 4.740 -0.001 0.000 0.177 478 N C 0.785 176.340 175.510 0.074 0.000 1.024 478 N CA 1.024 54.166 53.050 0.153 0.000 0.893 478 N CB -0.161 38.425 38.487 0.164 0.000 0.980 478 N HN 0.272 nan 8.380 nan 0.000 0.439 479 T N -2.095 112.489 114.554 0.051 0.000 2.885 479 T HA 0.758 5.107 4.350 -0.001 0.000 0.285 479 T C 0.425 175.137 174.700 0.020 0.000 1.019 479 T CA -0.308 61.810 62.100 0.030 0.000 1.010 479 T CB 2.829 71.716 68.868 0.031 0.000 1.022 479 T HN 0.256 nan 8.240 nan 0.000 0.466 480 G N 1.009 109.818 108.800 0.015 0.000 2.366 480 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.190 480 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.190 480 G C 0.257 175.183 174.900 0.044 0.000 1.299 480 G CA -0.040 45.077 45.100 0.029 0.000 1.056 480 G HN 0.897 nan 8.290 nan 0.000 0.468 481 H N 0.718 119.764 119.070 -0.040 0.000 2.495 481 H HA 0.265 4.820 4.556 -0.001 0.000 0.287 481 H C 0.503 175.796 175.328 -0.058 0.000 1.033 481 H CA 1.766 57.785 56.048 -0.048 0.000 1.307 481 H CB 0.131 29.860 29.762 -0.056 0.000 1.401 481 H HN 0.265 nan 8.280 nan 0.000 0.555 482 S N -0.009 115.652 115.700 -0.064 0.000 2.600 482 S HA 0.264 4.733 4.470 -0.001 0.000 0.300 482 S C -0.210 174.321 174.600 -0.115 0.000 1.087 482 S CA -0.678 57.445 58.200 -0.128 0.000 0.965 482 S CB 2.242 65.394 63.200 -0.080 0.000 1.089 482 S HN 0.421 nan 8.310 nan 0.000 0.496 483 T N -0.687 113.790 114.554 -0.130 0.000 2.899 483 T HA 0.663 5.012 4.350 -0.001 0.000 0.284 483 T C -0.008 174.602 174.700 -0.151 0.000 1.004 483 T CA -0.709 61.326 62.100 -0.108 0.000 1.043 483 T CB 0.600 69.412 68.868 -0.092 0.000 1.013 483 T HN 0.623 nan 8.240 nan 0.000 0.518 484 V N -0.217 119.610 119.914 -0.145 0.000 2.680 484 V HA 0.590 4.709 4.120 -0.001 0.000 0.309 484 V C -1.570 174.455 176.094 -0.115 0.000 1.052 484 V CA -2.108 60.035 62.300 -0.262 0.000 0.908 484 V CB 1.293 32.903 31.823 -0.354 0.000 1.001 484 V HN 0.800 nan 8.190 nan 0.000 0.431 485 P HA 0.201 nan 4.420 nan 0.000 0.226 485 P C 0.344 177.681 177.300 0.062 0.000 1.153 485 P CA 1.279 64.375 63.100 -0.007 0.000 0.777 485 P CB 0.485 32.183 31.700 -0.004 0.000 0.794 486 A N -0.152 122.759 122.820 0.153 0.000 2.604 486 A HA 0.430 4.749 4.320 -0.001 0.000 0.295 486 A C -1.145 176.598 177.584 0.265 0.000 1.067 486 A CA -0.695 51.445 52.037 0.172 0.000 0.683 486 A CB 0.573 19.653 19.000 0.133 0.000 1.281 486 A HN -0.012 nan 8.150 nan 0.000 0.407 487 N N 1.357 120.172 118.700 0.191 0.000 2.416 487 N HA 0.188 4.927 4.740 -0.001 0.000 0.265 487 N C -0.879 174.804 175.510 0.288 0.000 1.195 487 N CA 0.174 53.359 53.050 0.226 0.000 0.943 487 N CB 0.289 38.865 38.487 0.148 0.000 1.115 487 N HN 0.565 nan 8.380 nan 0.000 0.481 488 W N 5.616 127.004 121.300 0.147 0.000 2.311 488 W HA 0.322 4.981 4.660 -0.002 0.000 0.317 488 W C -0.947 175.683 176.519 0.186 0.000 1.065 488 W CA -1.000 56.395 57.345 0.084 0.000 1.364 488 W CB -0.039 29.378 29.460 -0.073 0.000 1.233 488 W HN 0.483 nan 8.180 nan 0.000 0.409 489 D N 7.934 128.658 120.400 0.540 0.000 2.302 489 D HA 0.186 4.825 4.640 -0.001 0.000 0.248 489 D C -2.047 174.494 176.300 0.403 0.000 1.094 489 D CA -1.043 53.182 54.000 0.374 0.000 0.897 489 D CB 1.080 42.004 40.800 0.206 0.000 1.200 489 D HN 0.150 nan 8.370 nan 0.000 0.429 490 P HA -0.010 nan 4.420 nan 0.000 0.271 490 P C -0.477 176.801 177.300 -0.037 0.000 1.218 490 P CA -0.303 62.638 63.100 -0.264 0.000 0.780 490 P CB 0.384 31.831 31.700 -0.421 0.000 0.901 491 Y N 2.966 123.185 120.300 -0.136 0.000 2.511 491 Y HA 0.208 4.757 4.550 -0.002 0.000 0.332 491 Y C 0.337 176.215 175.900 -0.037 0.000 1.177 491 Y CA 0.824 58.915 58.100 -0.014 0.000 1.422 491 Y CB 0.312 38.785 38.460 0.022 0.000 1.271 491 Y HN 0.434 nan 8.280 nan 0.000 0.550 492 T N 3.942 118.061 114.554 -0.724 0.000 2.907 492 T HA 0.388 4.737 4.350 -0.001 0.000 0.292 492 T C 0.692 174.870 174.700 -0.871 0.000 1.043 492 T CA -0.930 60.844 62.100 -0.542 0.000 1.003 492 T CB 1.387 70.095 68.868 -0.266 0.000 1.084 492 T HN 0.753 nan 8.240 nan 0.000 0.483 493 L N 0.859 121.832 121.223 -0.417 0.000 2.027 493 L HA -0.060 4.279 4.340 -0.001 0.000 0.206 493 L C 3.034 179.816 176.870 -0.146 0.000 1.074 493 L CA 1.324 56.032 54.840 -0.220 0.000 0.745 493 L CB -0.578 41.457 42.059 -0.039 0.000 0.898 493 L HN 0.791 nan 8.230 nan 0.000 0.433 494 E N 0.256 120.391 120.200 -0.108 0.000 2.049 494 E HA -0.260 4.089 4.350 -0.001 0.000 0.198 494 E C 1.362 177.967 176.600 0.007 0.000 1.007 494 E CA 1.778 58.162 56.400 -0.027 0.000 0.809 494 E CB -0.659 29.025 29.700 -0.026 0.000 0.749 494 E HN 0.545 nan 8.360 nan 0.000 0.450 495 D N 0.814 121.142 120.400 -0.121 0.000 2.249 495 D HA -0.057 4.583 4.640 -0.001 0.000 0.205 495 D C 0.018 176.083 176.300 -0.392 0.000 0.962 495 D CA 0.865 54.745 54.000 -0.200 0.000 0.860 495 D CB -0.386 40.310 40.800 -0.172 0.000 0.955 495 D HN 0.198 nan 8.370 nan 0.000 0.505 496 D N 1.604 121.806 120.400 -0.330 0.000 2.735 496 D HA -0.150 4.489 4.640 -0.001 0.000 0.235 496 D C -0.703 175.614 176.300 0.028 0.000 1.175 496 D CA 0.165 54.098 54.000 -0.112 0.000 0.683 496 D CB -0.933 39.932 40.800 0.109 0.000 1.008 496 D HN 0.243 nan 8.370 nan 0.000 0.416 497 N N 1.197 119.903 118.700 0.009 0.000 2.498 497 N HA 0.468 5.207 4.740 -0.001 0.000 0.287 497 N C -0.368 175.358 175.510 0.360 0.000 1.097 497 N CA -0.440 52.675 53.050 0.108 0.000 0.973 497 N CB 1.020 39.508 38.487 0.001 0.000 1.153 497 N HN 0.366 nan 8.380 nan 0.000 0.472 498 Y N -1.558 118.819 120.300 0.128 0.000 2.571 498 Y HA 0.607 5.157 4.550 -0.001 0.000 0.341 498 Y C -1.423 174.467 175.900 -0.016 0.000 1.076 498 Y CA -1.602 56.582 58.100 0.140 0.000 1.029 498 Y CB 0.818 39.342 38.460 0.106 0.000 1.308 498 Y HN 0.404 nan 8.280 nan 0.000 0.461 499 L N 2.720 123.844 121.223 -0.165 0.000 2.292 499 L HA 0.476 4.815 4.340 -0.001 0.000 0.284 499 L C -0.204 176.532 176.870 -0.222 0.000 1.065 499 L CA -0.253 54.286 54.840 -0.501 0.000 0.806 499 L CB 1.287 42.541 42.059 -1.342 0.000 1.175 499 L HN 0.870 nan 8.230 nan 0.000 0.431 500 E N 5.230 125.319 120.200 -0.185 0.000 2.115 500 E HA 0.351 4.700 4.350 -0.001 0.000 0.282 500 E C -1.070 175.461 176.600 -0.116 0.000 0.987 500 E CA -0.366 56.021 56.400 -0.021 0.000 0.797 500 E CB 0.631 30.335 29.700 0.007 0.000 1.086 500 E HN 0.646 nan 8.360 nan 0.000 0.397 501 I N 5.686 126.204 120.570 -0.086 0.000 2.325 501 I HA 0.313 4.482 4.170 -0.001 0.000 0.291 501 I C -0.086 175.870 176.117 -0.269 0.000 1.019 501 I CA -0.263 60.958 61.300 -0.132 0.000 1.302 501 I CB 0.551 38.535 38.000 -0.027 0.000 1.401 501 I HN 0.685 nan 8.210 nan 0.000 0.485 502 N N 3.670 122.218 118.700 -0.254 0.000 3.387 502 N HA 0.158 4.897 4.740 -0.001 0.000 0.294 502 N C 0.035 175.411 175.510 -0.223 0.000 1.519 502 N CA -1.061 51.788 53.050 -0.335 0.000 0.875 502 N CB 0.620 38.933 38.487 -0.289 0.000 1.657 502 N HN 0.407 nan 8.380 nan 0.000 0.527 503 K N -1.136 119.139 120.400 -0.208 0.000 2.360 503 K HA -0.193 4.127 4.320 -0.001 0.000 0.201 503 K C 0.135 176.681 176.600 -0.090 0.000 1.046 503 K CA 1.231 57.435 56.287 -0.139 0.000 0.945 503 K CB -0.050 32.382 32.500 -0.114 0.000 0.750 503 K HN 0.586 nan 8.250 nan 0.000 0.464 504 Q N 1.331 121.078 119.800 -0.088 0.000 2.626 504 Q HA 0.183 4.523 4.340 -0.001 0.000 0.239 504 Q C -1.148 174.820 176.000 -0.053 0.000 1.101 504 Q CA -0.647 55.120 55.803 -0.059 0.000 0.918 504 Q CB 0.661 29.367 28.738 -0.053 0.000 1.151 504 Q HN 0.134 nan 8.270 nan 0.000 0.531 505 M N 3.800 123.379 119.600 -0.035 0.000 2.094 505 M HA 0.271 4.751 4.480 -0.001 0.000 0.348 505 M C -0.728 175.570 176.300 -0.003 0.000 1.267 505 M CA -0.173 55.119 55.300 -0.013 0.000 1.125 505 M CB 0.001 32.617 32.600 0.027 0.000 1.527 505 M HN 0.573 nan 8.290 nan 0.000 0.447 506 D N 0.666 121.060 120.400 -0.010 0.000 2.895 506 D HA 0.331 4.970 4.640 -0.001 0.000 0.320 506 D C 0.624 176.921 176.300 -0.005 0.000 1.249 506 D CA -0.363 53.634 54.000 -0.004 0.000 0.997 506 D CB -0.043 40.750 40.800 -0.011 0.000 1.430 506 D HN 0.295 nan 8.370 nan 0.000 0.558 507 S N -0.865 114.833 115.700 -0.003 0.000 2.440 507 S HA -0.208 4.262 4.470 -0.001 0.000 0.238 507 S C 0.767 175.357 174.600 -0.017 0.000 1.010 507 S CA 1.344 59.542 58.200 -0.002 0.000 0.972 507 S CB -1.039 62.161 63.200 0.000 0.000 0.774 507 S HN 0.538 nan 8.310 nan 0.000 0.501 508 N N 0.570 119.253 118.700 -0.028 0.000 2.268 508 N HA 0.267 5.006 4.740 -0.001 0.000 0.204 508 N C 0.982 176.447 175.510 -0.076 0.000 1.124 508 N CA 0.216 53.239 53.050 -0.045 0.000 0.838 508 N CB 0.207 38.672 38.487 -0.035 0.000 0.994 508 N HN 0.251 nan 8.380 nan 0.000 0.489 509 S N 0.522 116.176 115.700 -0.077 0.000 2.402 509 S HA 0.052 4.522 4.470 -0.001 0.000 0.229 509 S C 0.764 175.245 174.600 -0.198 0.000 1.021 509 S CA 0.826 58.954 58.200 -0.120 0.000 0.974 509 S CB 0.054 63.199 63.200 -0.093 0.000 0.800 509 S HN 0.304 nan 8.310 nan 0.000 0.484 510 M N 2.422 121.921 119.600 -0.168 0.000 2.146 510 M HA 0.324 4.803 4.480 -0.001 0.000 0.352 510 M C -0.150 175.975 176.300 -0.291 0.000 1.343 510 M CA 0.494 55.663 55.300 -0.218 0.000 1.115 510 M CB 0.371 32.918 32.600 -0.089 0.000 1.657 510 M HN 0.045 nan 8.290 nan 0.000 0.471 511 K N 3.083 123.143 120.400 -0.567 0.000 2.352 511 K HA 0.876 5.195 4.320 -0.001 0.000 0.240 511 K C -1.041 175.271 176.600 -0.480 0.000 1.017 511 K CA -0.837 55.105 56.287 -0.575 0.000 0.851 511 K CB 2.292 34.353 32.500 -0.732 0.000 1.261 511 K HN 0.508 nan 8.250 nan 0.000 0.451 512 L N 0.927 122.063 121.223 -0.146 0.000 2.333 512 L HA 0.448 4.788 4.340 -0.001 0.000 0.263 512 L C -0.603 176.351 176.870 0.140 0.000 1.014 512 L CA -1.101 53.685 54.840 -0.090 0.000 0.820 512 L CB 1.513 43.429 42.059 -0.238 0.000 1.352 512 L HN 0.674 nan 8.230 nan 0.000 0.421 513 H N 0.702 119.927 119.070 0.259 0.000 2.514 513 H HA -0.168 4.387 4.556 -0.002 0.000 0.318 513 H C -0.612 174.848 175.328 0.219 0.000 0.994 513 H CA 0.009 56.181 56.048 0.206 0.000 1.056 513 H CB -0.827 29.014 29.762 0.131 0.000 1.621 513 H HN 0.290 nan 8.280 nan 0.000 0.360 514 L N 2.618 123.987 121.223 0.244 0.000 2.315 514 L HA 0.166 4.505 4.340 -0.001 0.000 0.283 514 L C 0.976 177.917 176.870 0.118 0.000 1.089 514 L CA 0.062 54.947 54.840 0.074 0.000 0.833 514 L CB 0.344 42.162 42.059 -0.402 0.000 1.170 514 L HN 0.505 nan 8.230 nan 0.000 0.442 515 R N 2.596 123.200 120.500 0.174 0.000 3.301 515 R HA -0.229 4.111 4.340 -0.001 0.000 0.249 515 R C 0.884 177.350 176.300 0.278 0.000 0.964 515 R CA 0.794 57.057 56.100 0.273 0.000 0.653 515 R CB -2.124 28.320 30.300 0.240 0.000 1.043 515 R HN 0.879 nan 8.270 nan 0.000 0.454 516 T N -0.287 114.393 114.554 0.210 0.000 2.881 516 T HA -0.096 4.253 4.350 -0.001 0.000 0.270 516 T C 1.562 176.330 174.700 0.114 0.000 1.068 516 T CA 1.217 63.419 62.100 0.170 0.000 1.131 516 T CB -0.087 68.868 68.868 0.145 0.000 0.871 516 T HN 0.391 nan 8.240 nan 0.000 0.479 517 N N 0.543 119.273 118.700 0.050 0.000 2.188 517 N HA -0.039 4.700 4.740 -0.001 0.000 0.184 517 N C 1.517 176.936 175.510 -0.151 0.000 1.018 517 N CA 1.129 54.109 53.050 -0.117 0.000 0.858 517 N CB -0.338 37.980 38.487 -0.281 0.000 0.989 517 N HN 0.495 nan 8.380 nan 0.000 0.426 518 Y N 0.759 121.113 120.300 0.090 0.000 2.263 518 Y HA -0.010 4.539 4.550 -0.002 0.000 0.292 518 Y C 2.200 178.329 175.900 0.381 0.000 1.130 518 Y CA 0.242 58.459 58.100 0.197 0.000 1.179 518 Y CB -0.414 38.169 38.460 0.205 0.000 0.998 518 Y HN -0.024 nan 8.280 nan 0.000 0.532 519 L N 0.413 121.884 121.223 0.412 0.000 2.083 519 L HA -0.222 4.117 4.340 -0.001 0.000 0.209 519 L C 2.390 179.415 176.870 0.258 0.000 1.083 519 L CA 1.815 56.858 54.840 0.338 0.000 0.752 519 L CB -0.765 41.429 42.059 0.226 0.000 0.899 519 L HN 0.289 nan 8.230 nan 0.000 0.433 520 Q N -1.325 118.580 119.800 0.175 0.000 2.050 520 Q HA -0.267 4.072 4.340 -0.001 0.000 0.202 520 Q C 2.251 178.309 176.000 0.097 0.000 0.980 520 Q CA 2.118 57.984 55.803 0.105 0.000 0.840 520 Q CB -0.423 28.345 28.738 0.050 0.000 0.898 520 Q HN 0.553 nan 8.270 nan 0.000 0.424 521 F N -0.030 119.887 119.950 -0.056 0.000 2.043 521 F HA -0.242 4.285 4.527 0.001 0.000 0.297 521 F C 1.415 177.155 175.800 -0.099 0.000 1.121 521 F CA 2.010 59.907 58.000 -0.172 0.000 1.199 521 F CB -0.830 37.942 39.000 -0.380 0.000 0.968 521 F HN 0.181 nan 8.300 nan 0.000 0.478 522 W N 0.581 121.788 121.300 -0.154 0.000 2.355 522 W HA -0.178 4.480 4.660 -0.004 0.000 0.309 522 W C 2.840 179.297 176.519 -0.103 0.000 1.206 522 W CA 2.199 59.407 57.345 -0.228 0.000 1.284 522 W CB -1.159 28.279 29.460 -0.037 0.000 1.145 522 W HN 0.159 nan 8.180 nan 0.000 0.502 523 T N -2.896 111.767 114.554 0.183 0.000 3.043 523 T HA 0.003 4.352 4.350 -0.001 0.000 0.263 523 T C 1.482 176.211 174.700 0.049 0.000 1.094 523 T CA 1.118 63.286 62.100 0.113 0.000 1.127 523 T CB 0.026 68.955 68.868 0.103 0.000 0.905 523 T HN 0.036 nan 8.240 nan 0.000 0.490 524 Q N 0.761 120.568 119.800 0.011 0.000 2.527 524 Q HA 0.266 4.605 4.340 -0.001 0.000 0.194 524 Q C 2.628 178.593 176.000 -0.058 0.000 0.963 524 Q CA 1.274 57.069 55.803 -0.013 0.000 0.861 524 Q CB -0.426 28.312 28.738 0.002 0.000 1.051 524 Q HN 0.406 nan 8.270 nan 0.000 0.605 525 T N 0.327 114.820 114.554 -0.102 0.000 2.580 525 T HA -0.222 4.127 4.350 -0.001 0.000 0.265 525 T C 1.515 176.090 174.700 -0.208 0.000 1.063 525 T CA 1.867 63.891 62.100 -0.126 0.000 1.170 525 T CB -0.789 68.052 68.868 -0.045 0.000 0.863 525 T HN 0.268 nan 8.240 nan 0.000 0.418 526 Y N 1.702 121.643 120.300 -0.599 0.000 2.097 526 Y HA -0.208 4.342 4.550 -0.000 0.000 0.282 526 Y C 2.808 178.604 175.900 -0.173 0.000 1.152 526 Y CA 1.665 59.486 58.100 -0.465 0.000 1.136 526 Y CB -0.396 37.658 38.460 -0.677 0.000 0.975 526 Y HN 0.251 nan 8.280 nan 0.000 0.498 527 Q N -0.695 119.114 119.800 0.015 0.000 2.234 527 Q HA -0.204 4.135 4.340 -0.001 0.000 0.206 527 Q C 2.383 178.335 176.000 -0.081 0.000 0.980 527 Q CA 1.100 56.901 55.803 -0.003 0.000 0.869 527 Q CB -0.290 28.478 28.738 0.051 0.000 0.912 527 Q HN 0.629 nan 8.270 nan 0.000 0.436 528 A N 0.669 123.433 122.820 -0.092 0.000 1.930 528 A HA -0.039 4.280 4.320 -0.001 0.000 0.217 528 A C 1.044 178.561 177.584 -0.111 0.000 1.175 528 A CA 0.335 52.323 52.037 -0.082 0.000 0.627 528 A CB -0.426 18.537 19.000 -0.063 0.000 0.815 528 A HN 0.244 nan 8.150 nan 0.000 0.443 529 L N 0.571 121.690 121.223 -0.174 0.000 2.514 529 L HA 0.106 4.445 4.340 -0.001 0.000 0.280 529 L C -2.245 174.522 176.870 -0.171 0.000 1.223 529 L CA -1.472 53.255 54.840 -0.188 0.000 0.864 529 L CB -0.038 41.846 42.059 -0.292 0.000 1.118 529 L HN 0.103 nan 8.230 nan 0.000 0.494 530 P HA 0.082 nan 4.420 nan 0.000 0.275 530 P C -0.708 176.528 177.300 -0.106 0.000 1.228 530 P CA -0.285 62.758 63.100 -0.093 0.000 0.786 530 P CB 0.588 32.250 31.700 -0.064 0.000 0.927 531 T N 1.899 116.403 114.554 -0.084 0.000 2.814 531 T HA 0.132 4.481 4.350 -0.001 0.000 0.297 531 T C 1.404 176.071 174.700 -0.054 0.000 0.956 531 T CA -0.208 61.848 62.100 -0.074 0.000 1.123 531 T CB 0.415 69.250 68.868 -0.055 0.000 0.902 531 T HN 0.019 nan 8.240 nan 0.000 0.528 532 V N 2.454 122.338 119.914 -0.050 0.000 2.391 532 V HA 0.248 4.367 4.120 -0.001 0.000 0.237 532 V C 1.823 177.899 176.094 -0.030 0.000 1.046 532 V CA 1.674 63.953 62.300 -0.034 0.000 1.053 532 V CB -0.928 30.880 31.823 -0.025 0.000 0.704 532 V HN 1.078 nan 8.190 nan 0.000 0.475 575 V N 1.283 121.215 119.914 0.030 0.000 2.532 575 V HA 0.570 4.689 4.120 -0.001 0.000 0.295 575 V C 0.565 176.705 176.094 0.077 0.000 1.041 575 V CA -0.697 61.657 62.300 0.090 0.000 0.926 575 V CB 2.237 34.099 31.823 0.066 0.000 0.992 575 V HN 0.230 nan 8.190 nan 0.000 0.457 576 V N 4.501 124.462 119.914 0.078 0.000 2.555 576 V HA 0.787 4.906 4.120 -0.001 0.000 0.302 576 V C -0.440 175.660 176.094 0.010 0.000 1.038 576 V CA -0.607 61.682 62.300 -0.018 0.000 0.887 576 V CB 1.418 33.128 31.823 -0.189 0.000 0.991 576 V HN 0.816 nan 8.190 nan 0.000 0.434 577 I N 1.346 121.970 120.570 0.090 0.000 2.957 577 I HA 1.070 5.240 4.170 -0.001 0.000 0.310 577 I C 0.377 176.587 176.117 0.155 0.000 1.063 577 I CA -0.531 60.853 61.300 0.141 0.000 1.033 577 I CB 1.962 40.105 38.000 0.238 0.000 1.230 577 I HN 1.441 nan 8.210 nan 0.000 0.447 578 G N 1.745 110.594 108.800 0.081 0.000 2.758 578 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.686 578 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.686 578 G C -1.011 173.974 174.900 0.141 0.000 1.389 578 G CA -0.654 44.558 45.100 0.186 0.000 0.845 578 G HN 0.708 nan 8.290 nan 0.000 0.572 579 F N 0.000 120.032 119.950 0.137 0.000 2.286 579 F HA 0.000 4.527 4.527 0.000 0.000 0.279 579 F CA 0.000 58.035 58.000 0.058 0.000 1.383 579 F CB 0.000 38.769 39.000 -0.385 0.000 1.145 579 F HN 0.000 nan 8.300 nan 0.000 0.574