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 3me3_1_C DATA FIRST_RESID 15 DATA SEQUENCE TQQLHAAMAD TFLEHMCRLD IDSPPITARN TGIICTIGPA SRSVETLKEM DATA SEQUENCE IKSGMNVARL NFSHGTHEYH AETIKNVRTA TESFASDPIL YRPVAVALDT DATA SEQUENCE KGPEIRTGLI KGSGTAEVEL KKGATLKITL DNAYMEKCDE NILWLDYKNI DATA SEQUENCE CKVVEVGSKI YVDDGLISLQ VKQKGADFLV TEVENGGSLG SKKGVNLPGA DATA SEQUENCE AVDLPAVSEK DIQDLKFGVE QDVDMVFASF IRKASDVHEV RKVLGEKGKN DATA SEQUENCE IKIISKIENH EGVRRFDEIL EASDGIMVAR GDLGIEIPAE KVFLAQKMMI DATA SEQUENCE GRCNRAGKPV ICATQMLESM IKKPRPTRAE GSDVANAVLD GADCIMLSGE DATA SEQUENCE TAKGDYPLEA VRMQHLIARE AEAAIYHLQL FEELRRLAPI TSDPTEATAV DATA SEQUENCE GAVEASFKCC SGAIIVLTKS GRSAHQVARY RPRAPIIAVT RNPQTARQAH DATA SEQUENCE LYRGIFPVLC KDPVQEAWAE DVDLRVNFAM NVGKARGFFK KGDVVIVLTG DATA SEQUENCE WRPGSGFTNT MRVVPVP 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 15 T HA 0.000 nan 4.350 nan 0.000 0.228 15 T C 0.000 174.722 174.700 0.037 0.000 1.109 15 T CA 0.000 62.115 62.100 0.025 0.000 1.349 15 T CB 0.000 68.881 68.868 0.021 0.000 0.612 16 Q N 0.911 120.732 119.800 0.035 0.000 2.481 16 Q HA -0.231 4.108 4.340 -0.001 0.000 0.258 16 Q C 0.866 176.910 176.000 0.075 0.000 0.961 16 Q CA 2.733 58.565 55.803 0.048 0.000 1.121 16 Q CB -2.949 25.815 28.738 0.043 0.000 1.503 16 Q HN 1.854 nan 8.270 nan 0.000 0.544 17 Q N -2.621 117.216 119.800 0.062 0.000 2.457 17 Q HA -0.255 4.084 4.340 -0.001 0.000 0.283 17 Q C 1.083 177.145 176.000 0.104 0.000 1.234 17 Q CA 1.374 57.216 55.803 0.066 0.000 0.877 17 Q CB -2.433 26.338 28.738 0.056 0.000 1.250 17 Q HN 0.908 nan 8.270 nan 0.000 0.481 18 L N -1.263 120.023 121.223 0.106 0.000 2.217 18 L HA -0.130 4.209 4.340 -0.001 0.000 0.211 18 L C 2.437 179.393 176.870 0.144 0.000 1.107 18 L CA 1.188 56.099 54.840 0.119 0.000 0.783 18 L CB -0.408 41.707 42.059 0.093 0.000 0.919 18 L HN 0.489 nan 8.230 nan 0.000 0.442 19 H N 0.305 119.394 119.070 0.031 0.000 2.293 19 H HA -0.193 4.362 4.556 -0.001 0.000 0.300 19 H C 2.184 177.527 175.328 0.024 0.000 1.082 19 H CA 1.434 57.493 56.048 0.018 0.000 1.308 19 H CB 0.406 30.163 29.762 -0.008 0.000 1.375 19 H HN 0.352 nan 8.280 nan 0.000 0.495 20 A N 1.175 123.957 122.820 -0.063 0.000 1.940 20 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 20 A C 2.637 180.324 177.584 0.171 0.000 1.176 20 A CA 1.607 53.561 52.037 -0.139 0.000 0.631 20 A CB -1.014 17.772 19.000 -0.356 0.000 0.814 20 A HN 0.598 nan 8.150 nan 0.000 0.446 21 A N -1.117 121.840 122.820 0.228 0.000 1.978 21 A HA 0.036 4.355 4.320 -0.001 0.000 0.220 21 A C 2.413 180.133 177.584 0.227 0.000 1.170 21 A CA 2.950 55.169 52.037 0.303 0.000 0.636 21 A CB -0.770 18.362 19.000 0.219 0.000 0.810 21 A HN 1.212 nan 8.150 nan 0.000 0.448 22 M N -1.025 118.651 119.600 0.127 0.000 2.618 22 M HA 0.651 5.131 4.480 -0.001 0.000 0.240 22 M C 1.162 177.508 176.300 0.076 0.000 1.123 22 M CA 0.889 56.238 55.300 0.082 0.000 1.060 22 M CB -2.116 30.518 32.600 0.057 0.000 1.535 22 M HN 0.835 nan 8.290 nan 0.000 0.507 23 A N 0.593 123.473 122.820 0.101 0.000 2.407 23 A HA 0.430 4.749 4.320 -0.001 0.000 0.248 23 A C 0.483 178.171 177.584 0.174 0.000 1.082 23 A CA -0.102 51.968 52.037 0.056 0.000 0.785 23 A CB 0.069 19.037 19.000 -0.053 0.000 1.020 23 A HN 0.557 nan 8.150 nan 0.000 0.489 24 D N 0.104 120.565 120.400 0.101 0.000 2.349 24 D HA 0.063 4.703 4.640 -0.001 0.000 0.215 24 D C 0.619 177.013 176.300 0.156 0.000 1.016 24 D CA 1.466 55.542 54.000 0.126 0.000 0.870 24 D CB 0.227 41.065 40.800 0.063 0.000 0.917 24 D HN 0.725 nan 8.370 nan 0.000 0.524 25 T N -3.563 111.055 114.554 0.106 0.000 2.906 25 T HA 0.280 4.629 4.350 -0.001 0.000 0.295 25 T C 0.630 175.266 174.700 -0.107 0.000 1.075 25 T CA -0.872 61.279 62.100 0.086 0.000 1.005 25 T CB 1.443 70.333 68.868 0.038 0.000 1.136 25 T HN -0.160 nan 8.240 nan 0.000 0.498 26 F N 1.202 121.034 119.950 -0.196 0.000 2.134 26 F HA 0.015 4.541 4.527 -0.001 0.000 0.299 26 F C 1.920 177.592 175.800 -0.214 0.000 1.097 26 F CA 1.264 59.019 58.000 -0.408 0.000 1.264 26 F CB -0.233 38.668 39.000 -0.164 0.000 1.001 26 F HN 0.533 nan 8.300 nan 0.000 0.479 27 L N 1.001 122.171 121.223 -0.089 0.000 2.013 27 L HA -0.234 4.106 4.340 -0.001 0.000 0.212 27 L C 2.264 178.999 176.870 -0.226 0.000 1.073 27 L CA 2.384 57.147 54.840 -0.129 0.000 0.753 27 L CB -1.239 40.812 42.059 -0.012 0.000 0.890 27 L HN 0.264 nan 8.230 nan 0.000 0.432 28 E N -1.331 118.756 120.200 -0.189 0.000 2.106 28 E HA -0.277 4.073 4.350 -0.001 0.000 0.192 28 E C 2.232 178.665 176.600 -0.279 0.000 0.984 28 E CA 1.547 57.834 56.400 -0.189 0.000 0.806 28 E CB -0.337 29.290 29.700 -0.122 0.000 0.750 28 E HN 0.737 nan 8.360 nan 0.000 0.458 29 H N -0.331 118.433 119.070 -0.509 0.000 2.319 29 H HA -0.126 4.430 4.556 -0.001 0.000 0.297 29 H C 2.032 177.041 175.328 -0.531 0.000 1.097 29 H CA 2.552 58.244 56.048 -0.594 0.000 1.285 29 H CB -0.198 28.937 29.762 -1.045 0.000 1.368 29 H HN 0.180 nan 8.280 nan 0.000 0.495 30 M N -0.702 118.482 119.600 -0.693 0.000 2.080 30 M HA -0.234 4.245 4.480 -0.001 0.000 0.260 30 M C 2.470 178.558 176.300 -0.354 0.000 1.068 30 M CA 1.787 56.756 55.300 -0.551 0.000 1.109 30 M CB -0.286 32.041 32.600 -0.455 0.000 1.342 30 M HN 0.472 nan 8.290 nan 0.000 0.405 31 C N -0.306 118.828 119.300 -0.277 0.000 2.419 31 C HA -0.114 4.345 4.460 -0.001 0.000 0.283 31 C C 2.379 177.271 174.990 -0.163 0.000 1.373 31 C CA 0.820 59.732 59.018 -0.177 0.000 1.781 31 C CB -1.354 26.306 27.740 -0.133 0.000 1.886 31 C HN 0.459 nan 8.230 nan 0.000 0.520 32 R N -0.102 120.261 120.500 -0.229 0.000 2.317 32 R HA 0.233 4.572 4.340 -0.001 0.000 0.208 32 R C 0.181 176.382 176.300 -0.166 0.000 0.914 32 R CA -0.115 55.883 56.100 -0.169 0.000 1.060 32 R CB -0.038 30.101 30.300 -0.268 0.000 1.015 32 R HN 0.478 nan 8.270 nan 0.000 0.498 33 L N 1.995 123.070 121.223 -0.247 0.000 2.499 33 L HA -0.009 4.330 4.340 -0.001 0.000 0.273 33 L C -0.110 176.700 176.870 -0.101 0.000 1.195 33 L CA 0.427 55.147 54.840 -0.201 0.000 0.882 33 L CB 0.183 42.110 42.059 -0.222 0.000 1.133 33 L HN -0.024 nan 8.230 nan 0.000 0.483 34 D N 3.270 123.633 120.400 -0.063 0.000 2.542 34 D HA 0.206 4.845 4.640 -0.001 0.000 0.252 34 D C 0.719 177.004 176.300 -0.025 0.000 1.222 34 D CA -0.562 53.419 54.000 -0.032 0.000 0.895 34 D CB 1.409 42.205 40.800 -0.007 0.000 1.207 34 D HN 0.448 nan 8.370 nan 0.000 0.558 35 I N -0.131 120.423 120.570 -0.025 0.000 2.916 35 I HA 0.028 4.198 4.170 -0.001 0.000 0.267 35 I C 0.235 176.344 176.117 -0.014 0.000 1.263 35 I CA 0.795 62.083 61.300 -0.020 0.000 1.471 35 I CB 0.211 38.199 38.000 -0.020 0.000 1.089 35 I HN 0.038 nan 8.210 nan 0.000 0.468 36 D N 1.164 121.556 120.400 -0.013 0.000 2.342 36 D HA 0.100 4.740 4.640 -0.001 0.000 0.221 36 D C 0.425 176.721 176.300 -0.007 0.000 1.101 36 D CA 0.334 54.328 54.000 -0.011 0.000 0.837 36 D CB 0.585 41.377 40.800 -0.014 0.000 0.938 36 D HN 0.222 nan 8.370 nan 0.000 0.508 37 S N 2.319 118.016 115.700 -0.004 0.000 2.488 37 S HA 0.336 4.805 4.470 -0.001 0.000 0.310 37 S C -2.590 172.014 174.600 0.005 0.000 1.093 37 S CA -1.501 56.701 58.200 0.004 0.000 1.129 37 S CB 0.799 64.006 63.200 0.012 0.000 0.989 37 S HN -0.132 nan 8.310 nan 0.000 0.479 38 P HA 0.322 nan 4.420 nan 0.000 0.275 38 P C -2.688 174.616 177.300 0.008 0.000 1.228 38 P CA -1.534 61.568 63.100 0.004 0.000 0.786 38 P CB -0.044 31.659 31.700 0.005 0.000 0.927 39 P HA 0.124 nan 4.420 nan 0.000 0.274 39 P C 0.428 177.727 177.300 -0.001 0.000 1.256 39 P CA -0.140 62.960 63.100 -0.000 0.000 0.795 39 P CB 0.256 31.945 31.700 -0.018 0.000 1.038 40 I N 0.389 120.955 120.570 -0.008 0.000 3.112 40 I HA 0.008 4.177 4.170 -0.001 0.000 0.284 40 I C 1.957 178.067 176.117 -0.012 0.000 1.227 40 I CA 0.345 61.638 61.300 -0.012 0.000 1.369 40 I CB -1.532 36.442 38.000 -0.044 0.000 1.376 40 I HN 0.510 nan 8.210 nan 0.000 0.608 41 T N 3.047 117.616 114.554 0.025 0.000 2.803 41 T HA 0.179 4.529 4.350 -0.001 0.000 0.269 41 T C 1.202 175.930 174.700 0.047 0.000 1.052 41 T CA 1.583 63.730 62.100 0.078 0.000 1.136 41 T CB -0.430 68.538 68.868 0.167 0.000 0.864 41 T HN 1.438 nan 8.240 nan 0.000 0.467 42 A N 1.913 124.636 122.820 -0.161 0.000 2.440 42 A HA 0.495 4.814 4.320 -0.001 0.000 0.251 42 A C 0.543 178.029 177.584 -0.164 0.000 1.089 42 A CA -0.294 51.496 52.037 -0.412 0.000 0.779 42 A CB 0.257 18.683 19.000 -0.956 0.000 1.022 42 A HN 0.238 nan 8.150 nan 0.000 0.492 43 R N 2.394 122.871 120.500 -0.038 0.000 2.476 43 R HA 0.251 4.590 4.340 -0.001 0.000 0.305 43 R C -0.876 175.474 176.300 0.083 0.000 0.965 43 R CA -0.579 55.533 56.100 0.019 0.000 0.867 43 R CB 0.964 31.302 30.300 0.064 0.000 1.176 43 R HN 0.851 nan 8.270 nan 0.000 0.447 44 N N 1.057 119.791 118.700 0.056 0.000 2.388 44 N HA 0.021 4.760 4.740 -0.001 0.000 0.176 44 N C -0.385 175.192 175.510 0.112 0.000 1.062 44 N CA 0.604 53.706 53.050 0.087 0.000 0.895 44 N CB 0.556 39.080 38.487 0.062 0.000 1.018 44 N HN 0.450 nan 8.380 nan 0.000 0.456 45 T N 0.739 115.347 114.554 0.090 0.000 2.749 45 T HA 0.401 4.751 4.350 -0.001 0.000 0.295 45 T C 0.718 175.470 174.700 0.087 0.000 0.936 45 T CA -0.624 61.521 62.100 0.075 0.000 1.060 45 T CB 1.265 70.162 68.868 0.048 0.000 0.904 45 T HN 0.101 nan 8.240 nan 0.000 0.500 46 G N 2.772 111.623 108.800 0.085 0.000 2.441 46 G HA2 0.437 4.396 3.960 -0.001 0.000 0.243 46 G HA3 0.437 4.396 3.960 -0.001 0.000 0.243 46 G C -0.288 174.631 174.900 0.031 0.000 1.281 46 G CA -0.500 44.642 45.100 0.071 0.000 0.854 46 G HN 0.769 nan 8.290 nan 0.000 0.560 47 I N 2.206 122.780 120.570 0.006 0.000 2.330 47 I HA 0.265 4.434 4.170 -0.001 0.000 0.289 47 I C -0.038 176.072 176.117 -0.012 0.000 1.001 47 I CA -0.386 60.917 61.300 0.007 0.000 1.193 47 I CB 1.487 39.500 38.000 0.021 0.000 1.345 47 I HN 0.225 nan 8.210 nan 0.000 0.461 48 I N 6.015 126.595 120.570 0.016 0.000 2.321 48 I HA 0.302 4.471 4.170 -0.001 0.000 0.291 48 I C -0.608 175.543 176.117 0.058 0.000 0.998 48 I CA -0.297 61.034 61.300 0.051 0.000 1.227 48 I CB 1.117 39.173 38.000 0.094 0.000 1.368 48 I HN 0.527 nan 8.210 nan 0.000 0.466 49 C N 4.153 123.488 119.300 0.058 0.000 2.340 49 C HA 0.377 4.836 4.460 -0.001 0.000 0.323 49 C C 0.601 175.640 174.990 0.081 0.000 1.260 49 C CA -0.659 58.395 59.018 0.060 0.000 1.464 49 C CB 1.042 28.806 27.740 0.039 0.000 2.156 49 C HN 0.681 nan 8.230 nan 0.000 0.476 50 T N 4.980 119.591 114.554 0.094 0.000 2.870 50 T HA 0.257 4.606 4.350 -0.001 0.000 0.300 50 T C 0.265 175.025 174.700 0.101 0.000 0.989 50 T CA 0.120 62.287 62.100 0.111 0.000 1.139 50 T CB 0.076 69.014 68.868 0.118 0.000 0.920 50 T HN 0.372 nan 8.240 nan 0.000 0.537 51 I N 3.175 123.813 120.570 0.113 0.000 2.353 51 I HA 0.621 4.790 4.170 -0.001 0.000 0.293 51 I C 0.894 177.092 176.117 0.136 0.000 0.992 51 I CA -0.038 61.325 61.300 0.105 0.000 1.268 51 I CB 0.950 39.005 38.000 0.092 0.000 1.387 51 I HN 0.819 nan 8.210 nan 0.000 0.478 52 G N 6.997 115.866 108.800 0.115 0.000 2.846 52 G HA2 0.464 4.424 3.960 -0.001 0.000 0.299 52 G HA3 0.464 4.424 3.960 -0.001 0.000 0.299 52 G C -2.476 172.489 174.900 0.107 0.000 1.242 52 G CA -0.279 44.901 45.100 0.134 0.000 0.800 52 G HN 0.290 nan 8.290 nan 0.000 0.538 53 P HA -0.028 nan 4.420 nan 0.000 0.220 53 P C 1.655 178.980 177.300 0.040 0.000 1.148 53 P CA 1.820 64.963 63.100 0.072 0.000 0.803 53 P CB 0.082 31.812 31.700 0.049 0.000 0.782 54 A N 0.258 123.098 122.820 0.033 0.000 2.119 54 A HA -0.002 4.317 4.320 -0.001 0.000 0.217 54 A C 1.734 179.331 177.584 0.021 0.000 1.153 54 A CA 1.571 53.618 52.037 0.017 0.000 0.692 54 A CB -0.729 18.278 19.000 0.012 0.000 0.799 54 A HN 0.386 nan 8.150 nan 0.000 0.458 55 S N -2.607 113.113 115.700 0.034 0.000 3.082 55 S HA 0.294 4.763 4.470 -0.001 0.000 0.253 55 S C 0.847 175.466 174.600 0.033 0.000 0.961 55 S CA -0.043 58.178 58.200 0.034 0.000 1.129 55 S CB -0.105 63.120 63.200 0.042 0.000 1.083 55 S HN 0.505 nan 8.310 nan 0.000 0.605 56 R N 2.271 122.788 120.500 0.027 0.000 2.206 56 R HA 0.209 4.549 4.340 -0.001 0.000 0.198 56 R C 0.710 177.008 176.300 -0.004 0.000 0.986 56 R CA 0.852 56.958 56.100 0.010 0.000 1.029 56 R CB 0.133 30.435 30.300 0.002 0.000 0.966 56 R HN 0.502 nan 8.270 nan 0.000 0.487 57 S N -0.182 115.520 115.700 0.002 0.000 2.560 57 S HA -0.004 4.465 4.470 -0.001 0.000 0.284 57 S C 1.524 176.126 174.600 0.004 0.000 1.327 57 S CA -0.507 57.693 58.200 -0.001 0.000 1.055 57 S CB 1.548 64.749 63.200 0.002 0.000 0.868 57 S HN 0.003 nan 8.310 nan 0.000 0.506 58 V N 2.780 122.694 119.914 -0.000 0.000 2.282 58 V HA -0.241 3.878 4.120 -0.001 0.000 0.249 58 V C 2.738 178.838 176.094 0.010 0.000 1.057 58 V CA 2.486 64.788 62.300 0.004 0.000 1.032 58 V CB -1.379 30.439 31.823 -0.007 0.000 0.645 58 V HN 1.079 nan 8.190 nan 0.000 0.447 59 E N -0.007 120.195 120.200 0.004 0.000 2.065 59 E HA -0.279 4.070 4.350 -0.001 0.000 0.201 59 E C 2.198 178.813 176.600 0.025 0.000 1.016 59 E CA 2.265 58.671 56.400 0.009 0.000 0.818 59 E CB -0.202 29.500 29.700 0.003 0.000 0.749 59 E HN 0.660 nan 8.360 nan 0.000 0.453 60 T N 1.120 115.688 114.554 0.023 0.000 2.857 60 T HA -0.059 4.290 4.350 -0.001 0.000 0.266 60 T C 1.905 176.630 174.700 0.042 0.000 1.048 60 T CA 0.872 62.990 62.100 0.030 0.000 1.139 60 T CB -0.138 68.742 68.868 0.021 0.000 0.874 60 T HN 0.141 nan 8.240 nan 0.000 0.455 61 L N 0.551 121.800 121.223 0.043 0.000 2.083 61 L HA -0.121 4.218 4.340 -0.001 0.000 0.209 61 L C 2.634 179.562 176.870 0.096 0.000 1.083 61 L CA 1.357 56.230 54.840 0.056 0.000 0.752 61 L CB -0.448 41.640 42.059 0.048 0.000 0.899 61 L HN 0.224 nan 8.230 nan 0.000 0.433 62 K N -0.321 120.152 120.400 0.121 0.000 2.032 62 K HA -0.186 4.133 4.320 -0.001 0.000 0.209 62 K C 2.051 178.778 176.600 0.211 0.000 1.048 62 K CA 1.299 57.727 56.287 0.236 0.000 0.927 62 K CB -0.072 32.513 32.500 0.142 0.000 0.712 62 K HN 0.245 nan 8.250 nan 0.000 0.441 63 E N 0.258 120.527 120.200 0.115 0.000 2.152 63 E HA -0.105 4.244 4.350 -0.001 0.000 0.192 63 E C 2.005 178.627 176.600 0.037 0.000 0.983 63 E CA 0.823 57.267 56.400 0.074 0.000 0.818 63 E CB -0.044 29.688 29.700 0.053 0.000 0.758 63 E HN 0.302 nan 8.360 nan 0.000 0.467 64 M N 0.331 119.952 119.600 0.035 0.000 2.067 64 M HA -0.115 4.364 4.480 -0.001 0.000 0.260 64 M C 2.517 178.800 176.300 -0.028 0.000 1.069 64 M CA 1.181 56.487 55.300 0.010 0.000 1.117 64 M CB -0.913 31.697 32.600 0.018 0.000 1.334 64 M HN 0.084 nan 8.290 nan 0.000 0.407 65 I N 0.133 120.684 120.570 -0.031 0.000 2.163 65 I HA -0.343 3.827 4.170 -0.001 0.000 0.243 65 I C 2.318 178.321 176.117 -0.190 0.000 1.085 65 I CA 1.497 62.724 61.300 -0.123 0.000 1.347 65 I CB -0.404 37.519 38.000 -0.128 0.000 1.044 65 I HN 0.318 nan 8.210 nan 0.000 0.408 66 K N 0.301 120.613 120.400 -0.148 0.000 2.147 66 K HA -0.093 4.226 4.320 -0.001 0.000 0.205 66 K C 2.049 178.573 176.600 -0.127 0.000 1.049 66 K CA 1.406 57.603 56.287 -0.150 0.000 0.936 66 K CB -0.132 32.344 32.500 -0.039 0.000 0.722 66 K HN 0.160 nan 8.250 nan 0.000 0.446 67 S N -0.729 114.916 115.700 -0.093 0.000 2.522 67 S HA 0.037 4.506 4.470 -0.001 0.000 0.227 67 S C 1.222 175.728 174.600 -0.157 0.000 0.986 67 S CA 0.866 59.006 58.200 -0.099 0.000 0.929 67 S CB 0.465 63.645 63.200 -0.035 0.000 0.769 67 S HN 0.628 nan 8.310 nan 0.000 0.529 68 G N 1.078 109.788 108.800 -0.149 0.000 2.227 68 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.168 68 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.168 68 G C 0.084 174.933 174.900 -0.084 0.000 1.006 68 G CA -0.150 44.873 45.100 -0.128 0.000 0.684 68 G HN 0.426 nan 8.290 nan 0.000 0.489 69 M N 1.069 120.617 119.600 -0.086 0.000 2.252 69 M HA 0.339 4.818 4.480 -0.001 0.000 0.348 69 M C 0.935 177.130 176.300 -0.176 0.000 1.334 69 M CA 1.129 56.375 55.300 -0.090 0.000 1.071 69 M CB 0.119 32.684 32.600 -0.058 0.000 1.763 69 M HN 0.229 nan 8.290 nan 0.000 0.452 70 N N 2.594 121.152 118.700 -0.237 0.000 2.397 70 N HA 0.198 4.938 4.740 -0.001 0.000 0.190 70 N C -1.153 174.122 175.510 -0.392 0.000 1.099 70 N CA -0.241 52.493 53.050 -0.528 0.000 0.876 70 N CB 1.106 39.103 38.487 -0.817 0.000 1.143 70 N HN 0.408 nan 8.380 nan 0.000 0.468 71 V N 1.038 120.855 119.914 -0.162 0.000 2.569 71 V HA 0.629 4.749 4.120 -0.001 0.000 0.301 71 V C -0.862 175.232 176.094 -0.001 0.000 1.044 71 V CA -1.252 61.022 62.300 -0.042 0.000 0.874 71 V CB 1.513 33.365 31.823 0.048 0.000 1.002 71 V HN 0.109 nan 8.190 nan 0.000 0.424 72 A N 5.040 127.861 122.820 0.002 0.000 2.302 72 A HA 0.651 4.971 4.320 -0.001 0.000 0.295 72 A C 0.191 177.790 177.584 0.024 0.000 1.235 72 A CA -0.303 51.748 52.037 0.025 0.000 0.876 72 A CB 0.175 19.191 19.000 0.026 0.000 1.133 72 A HN 0.865 nan 8.150 nan 0.000 0.533 73 R N 2.890 123.428 120.500 0.063 0.000 2.312 73 R HA 0.551 4.890 4.340 -0.001 0.000 0.311 73 R C -1.691 174.663 176.300 0.091 0.000 1.004 73 R CA -0.570 55.563 56.100 0.055 0.000 0.902 73 R CB 0.482 30.893 30.300 0.185 0.000 1.073 73 R HN 0.521 nan 8.270 nan 0.000 0.457 74 L N 4.050 125.321 121.223 0.080 0.000 2.305 74 L HA 0.298 4.638 4.340 -0.001 0.000 0.284 74 L C -0.198 176.803 176.870 0.218 0.000 1.013 74 L CA -0.557 54.390 54.840 0.180 0.000 0.819 74 L CB 1.396 43.600 42.059 0.242 0.000 1.227 74 L HN 0.573 nan 8.230 nan 0.000 0.417 75 N N 2.396 121.233 118.700 0.229 0.000 2.415 75 N HA 0.097 4.836 4.740 -0.001 0.000 0.250 75 N C 0.336 175.981 175.510 0.225 0.000 1.127 75 N CA 0.003 53.191 53.050 0.230 0.000 0.945 75 N CB 0.251 38.874 38.487 0.227 0.000 1.196 75 N HN 0.345 nan 8.380 nan 0.000 0.499 76 F N 1.182 121.097 119.950 -0.057 0.000 2.816 76 F HA 0.073 4.600 4.527 -0.001 0.000 0.302 76 F C 2.111 177.912 175.800 0.001 0.000 1.178 76 F CA 0.135 58.112 58.000 -0.038 0.000 1.421 76 F CB -0.169 38.782 39.000 -0.082 0.000 1.114 76 F HN 0.439 nan 8.300 nan 0.000 0.573 77 S N -1.408 114.316 115.700 0.041 0.000 2.469 77 S HA -0.096 4.373 4.470 -0.001 0.000 0.238 77 S C 0.379 174.681 174.600 -0.497 0.000 0.998 77 S CA 0.901 58.970 58.200 -0.219 0.000 0.957 77 S CB -0.400 62.606 63.200 -0.325 0.000 0.764 77 S HN 0.317 nan 8.310 nan 0.000 0.514 78 H N -0.901 118.227 119.070 0.097 0.000 2.895 78 H HA 0.539 5.094 4.556 -0.001 0.000 0.373 78 H C 0.377 175.697 175.328 -0.013 0.000 1.174 78 H CA -0.169 55.890 56.048 0.019 0.000 1.144 78 H CB 1.245 31.002 29.762 -0.009 0.000 1.793 78 H HN 0.266 nan 8.280 nan 0.000 0.551 79 G N 1.101 109.861 108.800 -0.067 0.000 2.719 79 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.686 79 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.686 79 G C -0.006 174.717 174.900 -0.296 0.000 1.201 79 G CA -0.366 44.506 45.100 -0.379 0.000 0.768 79 G HN 0.866 nan 8.290 nan 0.000 0.629 80 T N -1.371 113.003 114.554 -0.301 0.000 2.874 80 T HA 0.552 4.902 4.350 -0.001 0.000 0.281 80 T C 1.391 176.019 174.700 -0.120 0.000 0.994 80 T CA 0.529 62.522 62.100 -0.177 0.000 1.015 80 T CB 1.205 69.996 68.868 -0.127 0.000 1.028 80 T HN 0.696 nan 8.240 nan 0.000 0.523 81 H N -0.282 118.630 119.070 -0.263 0.000 2.352 81 H HA -0.121 4.435 4.556 -0.001 0.000 0.299 81 H C 2.281 177.500 175.328 -0.182 0.000 1.097 81 H CA 1.601 57.336 56.048 -0.521 0.000 1.311 81 H CB 0.212 29.563 29.762 -0.685 0.000 1.377 81 H HN 0.884 nan 8.280 nan 0.000 0.504 82 E N 0.736 120.977 120.200 0.068 0.000 2.085 82 E HA -0.255 4.095 4.350 -0.001 0.000 0.194 82 E C 1.977 178.631 176.600 0.089 0.000 0.994 82 E CA 1.145 57.606 56.400 0.101 0.000 0.801 82 E CB -0.194 29.546 29.700 0.067 0.000 0.743 82 E HN 0.521 nan 8.360 nan 0.000 0.453 83 Y N 0.773 121.003 120.300 -0.117 0.000 2.145 83 Y HA -0.243 4.306 4.550 -0.001 0.000 0.286 83 Y C 2.287 178.098 175.900 -0.150 0.000 1.145 83 Y CA 2.230 60.218 58.100 -0.185 0.000 1.148 83 Y CB -0.210 38.042 38.460 -0.346 0.000 0.981 83 Y HN 0.207 nan 8.280 nan 0.000 0.507 84 H N -0.658 118.453 119.070 0.068 0.000 2.428 84 H HA 0.011 4.566 4.556 -0.001 0.000 0.296 84 H C 2.334 177.796 175.328 0.223 0.000 1.062 84 H CA 1.046 57.138 56.048 0.072 0.000 1.350 84 H CB -0.668 29.094 29.762 -0.000 0.000 1.403 84 H HN 0.502 nan 8.280 nan 0.000 0.533 85 A N 1.184 124.280 122.820 0.460 0.000 1.933 85 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 85 A C 2.313 179.978 177.584 0.135 0.000 1.175 85 A CA 1.683 53.943 52.037 0.371 0.000 0.628 85 A CB -0.344 18.896 19.000 0.399 0.000 0.814 85 A HN 0.424 nan 8.150 nan 0.000 0.444 86 E N -0.978 119.242 120.200 0.033 0.000 2.106 86 E HA -0.111 4.238 4.350 -0.001 0.000 0.192 86 E C 2.058 178.602 176.600 -0.093 0.000 0.984 86 E CA 1.561 57.926 56.400 -0.058 0.000 0.806 86 E CB -0.205 29.410 29.700 -0.142 0.000 0.750 86 E HN 0.606 nan 8.360 nan 0.000 0.458 87 T N 1.045 115.518 114.554 -0.134 0.000 2.737 87 T HA -0.106 4.243 4.350 -0.001 0.000 0.265 87 T C 1.925 176.629 174.700 0.007 0.000 1.038 87 T CA 0.863 62.906 62.100 -0.096 0.000 1.144 87 T CB -0.159 68.671 68.868 -0.064 0.000 0.866 87 T HN 0.113 nan 8.240 nan 0.000 0.434 88 I N 0.972 121.579 120.570 0.062 0.000 2.163 88 I HA -0.223 3.946 4.170 -0.001 0.000 0.243 88 I C 2.813 178.949 176.117 0.032 0.000 1.085 88 I CA 1.186 62.522 61.300 0.060 0.000 1.347 88 I CB -0.438 37.608 38.000 0.077 0.000 1.044 88 I HN 0.137 nan 8.210 nan 0.000 0.408 89 K N 0.990 121.405 120.400 0.026 0.000 2.032 89 K HA -0.206 4.114 4.320 -0.001 0.000 0.209 89 K C 1.801 178.408 176.600 0.011 0.000 1.048 89 K CA 2.070 58.367 56.287 0.016 0.000 0.927 89 K CB -0.654 31.853 32.500 0.012 0.000 0.712 89 K HN 0.401 nan 8.250 nan 0.000 0.441 90 N N 0.254 118.954 118.700 -0.000 0.000 2.120 90 N HA -0.072 4.668 4.740 -0.001 0.000 0.188 90 N C 1.722 177.243 175.510 0.018 0.000 1.024 90 N CA 1.573 54.623 53.050 -0.001 0.000 0.852 90 N CB -0.638 37.837 38.487 -0.020 0.000 1.003 90 N HN 0.195 nan 8.380 nan 0.000 0.424 91 V N 0.973 120.901 119.914 0.024 0.000 2.407 91 V HA -0.172 3.947 4.120 -0.001 0.000 0.248 91 V C 2.217 178.341 176.094 0.050 0.000 1.055 91 V CA 1.497 63.820 62.300 0.037 0.000 1.049 91 V CB -0.325 31.519 31.823 0.035 0.000 0.662 91 V HN 0.258 nan 8.190 nan 0.000 0.455 92 R N -0.519 120.009 120.500 0.046 0.000 2.090 92 R HA -0.084 4.256 4.340 -0.001 0.000 0.228 92 R C 2.414 178.752 176.300 0.064 0.000 1.110 92 R CA 1.709 57.845 56.100 0.059 0.000 0.973 92 R CB -0.537 29.790 30.300 0.045 0.000 0.869 92 R HN 0.495 nan 8.270 nan 0.000 0.440 93 T N 0.779 115.357 114.554 0.041 0.000 2.737 93 T HA -0.121 4.229 4.350 -0.001 0.000 0.265 93 T C 1.959 176.676 174.700 0.028 0.000 1.038 93 T CA 1.387 63.504 62.100 0.027 0.000 1.144 93 T CB -0.263 68.610 68.868 0.008 0.000 0.866 93 T HN 0.347 nan 8.240 nan 0.000 0.434 94 A N 1.367 124.212 122.820 0.041 0.000 1.908 94 A HA -0.146 4.173 4.320 -0.001 0.000 0.218 94 A C 2.556 180.239 177.584 0.165 0.000 1.181 94 A CA 2.159 54.235 52.037 0.064 0.000 0.627 94 A CB -1.268 17.785 19.000 0.089 0.000 0.818 94 A HN 0.479 nan 8.150 nan 0.000 0.445 95 T N -0.041 114.622 114.554 0.182 0.000 2.737 95 T HA -0.080 4.270 4.350 -0.001 0.000 0.265 95 T C 1.676 176.591 174.700 0.358 0.000 1.038 95 T CA 1.430 63.672 62.100 0.237 0.000 1.144 95 T CB -0.222 68.723 68.868 0.129 0.000 0.866 95 T HN 0.454 nan 8.240 nan 0.000 0.434 96 E N 1.706 122.068 120.200 0.270 0.000 2.418 96 E HA -0.033 4.317 4.350 -0.001 0.000 0.197 96 E C 2.422 179.103 176.600 0.134 0.000 1.026 96 E CA 0.638 57.195 56.400 0.261 0.000 0.862 96 E CB -0.527 29.256 29.700 0.138 0.000 0.799 96 E HN 0.650 nan 8.360 nan 0.000 0.518 97 S N -0.217 115.479 115.700 -0.008 0.000 2.469 97 S HA -0.106 4.363 4.470 -0.001 0.000 0.238 97 S C 1.447 175.870 174.600 -0.296 0.000 0.998 97 S CA 0.567 58.633 58.200 -0.223 0.000 0.957 97 S CB -0.443 62.507 63.200 -0.416 0.000 0.764 97 S HN 0.155 nan 8.310 nan 0.000 0.514 98 F N 1.049 121.093 119.950 0.158 0.000 2.695 98 F HA 0.571 5.098 4.527 -0.001 0.000 0.303 98 F C 2.260 178.246 175.800 0.310 0.000 1.091 98 F CA -0.182 57.934 58.000 0.193 0.000 1.300 98 F CB -0.272 38.810 39.000 0.137 0.000 1.071 98 F HN 0.267 nan 8.300 nan 0.000 0.578 99 A N 0.011 123.067 122.820 0.394 0.000 2.172 99 A HA -0.121 4.199 4.320 -0.001 0.000 0.216 99 A C 2.304 179.914 177.584 0.043 0.000 1.154 99 A CA 1.521 53.623 52.037 0.108 0.000 0.701 99 A CB -0.855 18.090 19.000 -0.093 0.000 0.789 99 A HN 0.357 nan 8.150 nan 0.000 0.465 100 S N -0.840 114.905 115.700 0.075 0.000 2.453 100 S HA -0.068 4.402 4.470 -0.001 0.000 0.231 100 S C 0.503 175.138 174.600 0.058 0.000 1.005 100 S CA 0.879 59.101 58.200 0.038 0.000 0.949 100 S CB -0.122 63.092 63.200 0.023 0.000 0.774 100 S HN 0.399 nan 8.310 nan 0.000 0.510 101 D N 1.851 122.320 120.400 0.116 0.000 2.464 101 D HA 0.448 5.087 4.640 -0.001 0.000 0.243 101 D C -2.276 174.135 176.300 0.185 0.000 1.104 101 D CA -2.549 51.529 54.000 0.129 0.000 0.883 101 D CB 1.757 42.636 40.800 0.132 0.000 1.050 101 D HN -0.021 nan 8.370 nan 0.000 0.524 102 P HA -0.073 nan 4.420 nan 0.000 0.222 102 P C 1.467 179.026 177.300 0.432 0.000 1.147 102 P CA 0.338 63.572 63.100 0.223 0.000 0.790 102 P CB 0.368 32.096 31.700 0.046 0.000 0.780 103 I N -1.393 119.385 120.570 0.348 0.000 2.315 103 I HA -0.118 4.052 4.170 -0.001 0.000 0.248 103 I C 1.940 178.155 176.117 0.164 0.000 1.117 103 I CA 1.411 62.865 61.300 0.256 0.000 1.404 103 I CB -1.383 36.706 38.000 0.149 0.000 1.071 103 I HN 0.031 nan 8.210 nan 0.000 0.419 104 L N -1.414 119.918 121.223 0.182 0.000 2.693 104 L HA 0.108 4.447 4.340 -0.001 0.000 0.235 104 L C 0.505 177.471 176.870 0.161 0.000 1.127 104 L CA -0.325 54.596 54.840 0.135 0.000 0.914 104 L CB -0.314 41.812 42.059 0.111 0.000 1.193 104 L HN 0.065 nan 8.230 nan 0.000 0.502 105 Y N 2.456 122.831 120.300 0.124 0.000 2.610 105 Y HA 0.127 4.676 4.550 -0.001 0.000 0.332 105 Y C 0.311 176.231 175.900 0.032 0.000 1.201 105 Y CA -0.047 58.125 58.100 0.120 0.000 1.465 105 Y CB 0.374 38.925 38.460 0.152 0.000 1.283 105 Y HN 0.010 nan 8.280 nan 0.000 0.563 106 R N 7.498 127.594 120.500 -0.673 0.000 2.393 106 R HA 0.360 4.699 4.340 -0.001 0.000 0.315 106 R C -2.619 173.251 176.300 -0.716 0.000 0.952 106 R CA -2.012 53.752 56.100 -0.560 0.000 0.842 106 R CB 1.222 31.282 30.300 -0.400 0.000 1.163 106 R HN 0.500 nan 8.270 nan 0.000 0.450 107 P HA -0.004 nan 4.420 nan 0.000 0.267 107 P C -0.882 176.426 177.300 0.014 0.000 1.200 107 P CA -0.125 62.910 63.100 -0.108 0.000 0.772 107 P CB 0.697 32.425 31.700 0.046 0.000 0.855 108 V N 1.894 121.817 119.914 0.014 0.000 2.569 108 V HA 0.583 4.702 4.120 -0.001 0.000 0.301 108 V C 0.156 176.282 176.094 0.053 0.000 1.044 108 V CA -0.861 61.434 62.300 -0.007 0.000 0.874 108 V CB 1.625 33.416 31.823 -0.054 0.000 1.002 108 V HN 0.692 nan 8.190 nan 0.000 0.424 109 A N 4.448 127.310 122.820 0.070 0.000 2.286 109 A HA 0.858 5.177 4.320 -0.001 0.000 0.286 109 A C -0.489 177.103 177.584 0.014 0.000 1.097 109 A CA -0.444 51.633 52.037 0.067 0.000 0.821 109 A CB 1.179 20.245 19.000 0.110 0.000 1.076 109 A HN 0.735 nan 8.150 nan 0.000 0.490 110 V N 0.604 120.512 119.914 -0.009 0.000 2.540 110 V HA 0.675 4.794 4.120 -0.001 0.000 0.302 110 V C 0.253 176.275 176.094 -0.119 0.000 1.035 110 V CA -0.116 62.159 62.300 -0.043 0.000 0.873 110 V CB 1.315 33.121 31.823 -0.029 0.000 0.992 110 V HN 1.240 nan 8.190 nan 0.000 0.428 111 A N 5.077 127.776 122.820 -0.202 0.000 2.355 111 A HA 0.868 5.188 4.320 -0.001 0.000 0.317 111 A C -1.117 176.203 177.584 -0.440 0.000 1.094 111 A CA -0.549 51.209 52.037 -0.465 0.000 0.764 111 A CB 1.440 19.918 19.000 -0.870 0.000 1.230 111 A HN 0.899 nan 8.150 nan 0.000 0.448 112 L N 2.464 123.397 121.223 -0.483 0.000 2.287 112 L HA 0.481 4.820 4.340 -0.001 0.000 0.287 112 L C -1.097 175.537 176.870 -0.393 0.000 1.022 112 L CA -0.537 54.054 54.840 -0.414 0.000 0.814 112 L CB 1.150 42.898 42.059 -0.518 0.000 1.217 112 L HN 0.743 nan 8.230 nan 0.000 0.420 113 D N 3.993 124.278 120.400 -0.192 0.000 2.349 113 D HA 0.199 4.838 4.640 -0.001 0.000 0.232 113 D C -0.243 176.067 176.300 0.017 0.000 1.071 113 D CA -0.163 53.826 54.000 -0.018 0.000 0.832 113 D CB 1.662 42.549 40.800 0.145 0.000 1.086 113 D HN 0.616 nan 8.370 nan 0.000 0.504 114 T N 0.902 115.456 114.554 0.000 0.000 2.860 114 T HA 0.122 4.471 4.350 -0.001 0.000 0.299 114 T C 1.302 176.061 174.700 0.099 0.000 1.045 114 T CA -0.493 61.625 62.100 0.030 0.000 1.071 114 T CB 1.983 70.862 68.868 0.018 0.000 0.985 114 T HN 0.464 nan 8.240 nan 0.000 0.537 115 K N 1.749 122.227 120.400 0.131 0.000 2.025 115 K HA 0.153 4.472 4.320 -0.001 0.000 0.207 115 K C 1.294 178.009 176.600 0.192 0.000 1.049 115 K CA 1.191 57.558 56.287 0.132 0.000 0.933 115 K CB -1.114 31.449 32.500 0.104 0.000 0.714 115 K HN 1.155 nan 8.250 nan 0.000 0.438 116 G N 0.456 109.354 108.800 0.163 0.000 2.697 116 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.240 116 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.240 116 G C -2.460 172.506 174.900 0.110 0.000 1.346 116 G CA -0.163 45.059 45.100 0.203 0.000 0.887 116 G HN 0.306 nan 8.290 nan 0.000 0.569 117 P HA 0.247 nan 4.420 nan 0.000 0.244 117 P C -0.112 176.907 177.300 -0.468 0.000 1.769 117 P CA 0.391 63.353 63.100 -0.230 0.000 1.102 117 P CB -0.008 31.525 31.700 -0.279 0.000 1.937 118 E N 1.766 121.822 120.200 -0.239 0.000 2.319 118 E HA 0.417 4.766 4.350 -0.001 0.000 0.268 118 E C 0.086 176.566 176.600 -0.199 0.000 1.050 118 E CA -0.828 55.445 56.400 -0.211 0.000 0.878 118 E CB 1.275 30.980 29.700 0.008 0.000 1.066 118 E HN 0.357 nan 8.360 nan 0.000 0.406 119 I N 2.634 123.100 120.570 -0.173 0.000 2.406 119 I HA 0.368 4.538 4.170 -0.001 0.000 0.290 119 I C -0.088 176.010 176.117 -0.031 0.000 0.999 119 I CA -0.742 60.489 61.300 -0.115 0.000 1.124 119 I CB 1.063 38.986 38.000 -0.129 0.000 1.289 119 I HN 0.166 nan 8.210 nan 0.000 0.441 120 R N 3.193 123.687 120.500 -0.010 0.000 2.750 120 R HA 0.538 4.877 4.340 -0.001 0.000 0.281 120 R C -0.265 176.065 176.300 0.051 0.000 0.972 120 R CA -0.666 55.464 56.100 0.050 0.000 0.912 120 R CB 2.405 32.764 30.300 0.098 0.000 1.187 120 R HN 0.767 nan 8.270 nan 0.000 0.464 121 T N -1.560 113.057 114.554 0.105 0.000 2.810 121 T HA 0.545 4.895 4.350 -0.001 0.000 0.277 121 T C 0.847 175.740 174.700 0.323 0.000 0.973 121 T CA -0.413 61.782 62.100 0.158 0.000 0.949 121 T CB 1.356 70.301 68.868 0.129 0.000 1.075 121 T HN 0.531 nan 8.240 nan 0.000 0.537 122 G N -0.467 108.608 108.800 0.458 0.000 2.543 122 G HA2 0.578 4.537 3.960 -0.001 0.000 0.267 122 G HA3 0.578 4.537 3.960 -0.001 0.000 0.267 122 G C -0.648 174.368 174.900 0.193 0.000 1.406 122 G CA -1.281 44.069 45.100 0.418 0.000 1.048 122 G HN 0.822 nan 8.290 nan 0.000 0.548 123 L N 0.860 122.142 121.223 0.098 0.000 2.292 123 L HA 0.284 4.623 4.340 -0.001 0.000 0.284 123 L C -0.095 176.810 176.870 0.058 0.000 1.065 123 L CA -0.868 54.006 54.840 0.057 0.000 0.806 123 L CB 1.398 43.463 42.059 0.010 0.000 1.175 123 L HN 0.200 nan 8.230 nan 0.000 0.431 124 I N 4.057 124.660 120.570 0.056 0.000 2.581 124 I HA -0.054 4.116 4.170 -0.001 0.000 0.285 124 I C 0.915 177.050 176.117 0.030 0.000 1.129 124 I CA 0.192 61.521 61.300 0.048 0.000 1.397 124 I CB -0.268 37.758 38.000 0.043 0.000 1.399 124 I HN 0.676 nan 8.210 nan 0.000 0.537 125 K N 4.954 125.372 120.400 0.029 0.000 3.177 125 K HA -0.245 4.074 4.320 -0.001 0.000 0.266 125 K C 1.063 177.662 176.600 -0.001 0.000 0.937 125 K CA 0.582 56.877 56.287 0.014 0.000 0.702 125 K CB -1.740 30.769 32.500 0.015 0.000 1.365 125 K HN 1.120 nan 8.250 nan 0.000 0.466 126 G N -0.679 108.115 108.800 -0.009 0.000 2.168 126 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.263 126 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.263 126 G C -0.024 174.866 174.900 -0.017 0.000 0.977 126 G CA 0.500 45.586 45.100 -0.024 0.000 0.659 126 G HN 0.722 nan 8.290 nan 0.000 0.533 127 S N -1.129 114.568 115.700 -0.006 0.000 2.513 127 S HA 0.678 5.147 4.470 -0.001 0.000 0.299 127 S C 1.478 176.078 174.600 0.001 0.000 1.087 127 S CA 0.596 58.793 58.200 -0.005 0.000 1.012 127 S CB 1.532 64.731 63.200 -0.002 0.000 1.044 127 S HN 1.193 nan 8.310 nan 0.000 0.485 128 G N 1.383 110.180 108.800 -0.005 0.000 2.448 128 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.218 128 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.218 128 G C 1.153 176.053 174.900 0.000 0.000 1.135 128 G CA 1.227 46.325 45.100 -0.003 0.000 0.784 128 G HN 0.913 nan 8.290 nan 0.000 0.543 129 T N -2.493 112.060 114.554 -0.000 0.000 3.001 129 T HA 0.603 4.952 4.350 -0.001 0.000 0.251 129 T C 1.211 175.916 174.700 0.009 0.000 1.040 129 T CA 0.525 62.626 62.100 0.002 0.000 0.985 129 T CB 0.358 69.224 68.868 -0.004 0.000 1.011 129 T HN 0.323 nan 8.240 nan 0.000 0.509 130 A N 1.274 124.101 122.820 0.011 0.000 2.425 130 A HA 0.570 4.890 4.320 -0.001 0.000 0.242 130 A C 0.030 177.627 177.584 0.021 0.000 1.077 130 A CA -0.340 51.706 52.037 0.014 0.000 0.781 130 A CB 0.232 19.240 19.000 0.014 0.000 1.020 130 A HN 0.594 nan 8.150 nan 0.000 0.494 131 E N -0.715 119.497 120.200 0.021 0.000 2.367 131 E HA 0.544 4.894 4.350 -0.001 0.000 0.273 131 E C -1.204 175.410 176.600 0.024 0.000 0.903 131 E CA -0.865 55.550 56.400 0.025 0.000 0.764 131 E CB 2.275 31.989 29.700 0.024 0.000 1.252 131 E HN 0.683 nan 8.360 nan 0.000 0.446 132 V N -1.457 118.473 119.914 0.027 0.000 3.001 132 V HA 0.563 4.682 4.120 -0.001 0.000 0.314 132 V C -0.659 175.449 176.094 0.023 0.000 1.099 132 V CA -0.996 61.318 62.300 0.024 0.000 0.989 132 V CB 2.073 33.911 31.823 0.026 0.000 1.040 132 V HN 0.509 nan 8.190 nan 0.000 0.434 133 E N 2.918 123.130 120.200 0.020 0.000 2.200 133 E HA 0.536 4.886 4.350 -0.001 0.000 0.283 133 E C -0.916 175.694 176.600 0.017 0.000 1.015 133 E CA -0.244 56.167 56.400 0.018 0.000 0.819 133 E CB 1.938 31.648 29.700 0.016 0.000 1.081 133 E HN 0.669 nan 8.360 nan 0.000 0.397 134 L N 1.988 123.221 121.223 0.017 0.000 2.295 134 L HA 0.436 4.776 4.340 -0.001 0.000 0.285 134 L C 0.622 177.499 176.870 0.011 0.000 1.035 134 L CA -0.697 54.151 54.840 0.013 0.000 0.806 134 L CB 0.863 42.930 42.059 0.013 0.000 1.214 134 L HN 0.388 nan 8.230 nan 0.000 0.426 135 K N 3.248 123.653 120.400 0.008 0.000 2.185 135 K HA 0.351 4.670 4.320 -0.001 0.000 0.269 135 K C -0.261 176.342 176.600 0.004 0.000 0.987 135 K CA -0.840 55.451 56.287 0.007 0.000 0.865 135 K CB 1.359 33.863 32.500 0.007 0.000 1.090 135 K HN 0.628 nan 8.250 nan 0.000 0.450 136 K N 0.726 121.129 120.400 0.005 0.000 2.491 136 K HA 0.218 4.537 4.320 -0.001 0.000 0.279 136 K C 1.194 177.795 176.600 0.001 0.000 1.026 136 K CA 1.956 58.245 56.287 0.003 0.000 1.070 136 K CB -0.226 32.277 32.500 0.005 0.000 0.887 136 K HN 1.209 nan 8.250 nan 0.000 0.481 137 G N 2.033 110.831 108.800 -0.003 0.000 2.241 137 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.244 137 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.244 137 G C 0.275 175.173 174.900 -0.003 0.000 0.998 137 G CA 0.082 45.180 45.100 -0.003 0.000 0.621 137 G HN 0.980 nan 8.290 nan 0.000 0.519 138 A N 0.016 122.835 122.820 -0.002 0.000 2.366 138 A HA 0.641 4.960 4.320 -0.001 0.000 0.250 138 A C 0.732 178.313 177.584 -0.004 0.000 1.099 138 A CA 1.435 53.471 52.037 -0.002 0.000 0.794 138 A CB 0.231 19.231 19.000 0.000 0.000 1.056 138 A HN 0.787 nan 8.150 nan 0.000 0.499 139 T N 0.484 115.036 114.554 -0.003 0.000 2.907 139 T HA 0.527 4.877 4.350 -0.001 0.000 0.284 139 T C -0.833 173.864 174.700 -0.005 0.000 1.004 139 T CA -0.011 62.087 62.100 -0.004 0.000 1.063 139 T CB 0.874 69.741 68.868 -0.002 0.000 0.992 139 T HN 0.661 nan 8.240 nan 0.000 0.483 140 L N 2.994 124.213 121.223 -0.005 0.000 2.476 140 L HA 0.556 4.896 4.340 -0.001 0.000 0.269 140 L C -0.770 176.099 176.870 -0.003 0.000 0.965 140 L CA -0.634 54.202 54.840 -0.006 0.000 0.845 140 L CB 1.675 43.731 42.059 -0.005 0.000 1.259 140 L HN 0.502 nan 8.230 nan 0.000 0.403 141 K N 5.351 125.744 120.400 -0.012 0.000 2.227 141 K HA 0.583 4.903 4.320 -0.001 0.000 0.280 141 K C -0.982 175.615 176.600 -0.006 0.000 1.041 141 K CA -0.417 55.868 56.287 -0.004 0.000 0.905 141 K CB 0.750 33.218 32.500 -0.053 0.000 1.068 141 K HN 0.728 nan 8.250 nan 0.000 0.470 142 I N 3.357 123.943 120.570 0.027 0.000 2.331 142 I HA 0.130 4.300 4.170 -0.001 0.000 0.292 142 I C 0.310 176.453 176.117 0.044 0.000 0.998 142 I CA -0.276 61.033 61.300 0.015 0.000 1.267 142 I CB 1.817 39.813 38.000 -0.007 0.000 1.386 142 I HN 0.613 nan 8.210 nan 0.000 0.476 143 T N 5.981 120.547 114.554 0.021 0.000 2.908 143 T HA 0.573 4.922 4.350 -0.001 0.000 0.290 143 T C 0.409 175.140 174.700 0.052 0.000 1.034 143 T CA -0.530 61.606 62.100 0.060 0.000 1.010 143 T CB 1.214 70.078 68.868 -0.006 0.000 1.068 143 T HN 0.492 nan 8.240 nan 0.000 0.481 144 L N 1.696 122.975 121.223 0.094 0.000 2.766 144 L HA 0.363 4.703 4.340 -0.001 0.000 0.242 144 L C 0.483 177.567 176.870 0.355 0.000 1.136 144 L CA -0.238 54.632 54.840 0.049 0.000 0.933 144 L CB 0.344 42.391 42.059 -0.020 0.000 1.241 144 L HN 0.567 nan 8.230 nan 0.000 0.522 145 D N 0.549 121.192 120.400 0.406 0.000 2.338 145 D HA -0.018 4.621 4.640 -0.001 0.000 0.255 145 D C 0.844 177.406 176.300 0.436 0.000 1.237 145 D CA 0.120 54.348 54.000 0.380 0.000 0.883 145 D CB 0.834 41.837 40.800 0.337 0.000 1.087 145 D HN -0.072 nan 8.370 nan 0.000 0.485 146 N N 2.937 121.811 118.700 0.290 0.000 2.519 146 N HA -0.097 4.643 4.740 -0.001 0.000 0.186 146 N C 1.465 176.864 175.510 -0.185 0.000 1.062 146 N CA 0.837 53.880 53.050 -0.011 0.000 0.910 146 N CB -0.085 38.419 38.487 0.028 0.000 0.958 146 N HN 0.545 nan 8.380 nan 0.000 0.445 147 A N -0.571 122.195 122.820 -0.090 0.000 2.070 147 A HA -0.119 4.201 4.320 -0.001 0.000 0.220 147 A C 1.112 178.456 177.584 -0.401 0.000 1.159 147 A CA 0.972 52.857 52.037 -0.254 0.000 0.656 147 A CB -0.520 18.301 19.000 -0.298 0.000 0.800 147 A HN 0.374 nan 8.150 nan 0.000 0.453 148 Y N -1.455 118.757 120.300 -0.147 0.000 2.457 148 Y HA 0.211 4.760 4.550 -0.001 0.000 0.263 148 Y C 1.989 177.722 175.900 -0.279 0.000 1.164 148 Y CA 0.330 58.358 58.100 -0.121 0.000 1.274 148 Y CB -0.236 38.247 38.460 0.038 0.000 1.097 148 Y HN 0.366 nan 8.280 nan 0.000 0.523 149 M N 0.471 119.698 119.600 -0.622 0.000 2.143 149 M HA -0.273 4.207 4.480 -0.001 0.000 0.258 149 M C 0.513 176.540 176.300 -0.454 0.000 1.071 149 M CA 2.105 56.712 55.300 -1.155 0.000 1.088 149 M CB 0.084 31.866 32.600 -1.364 0.000 1.360 149 M HN 0.237 nan 8.290 nan 0.000 0.404 150 E N -0.411 119.625 120.200 -0.273 0.000 2.651 150 E HA 0.115 4.464 4.350 -0.001 0.000 0.208 150 E C -0.325 176.240 176.600 -0.058 0.000 0.997 150 E CA -0.034 56.287 56.400 -0.132 0.000 1.020 150 E CB 0.499 30.119 29.700 -0.133 0.000 1.052 150 E HN 0.468 nan 8.360 nan 0.000 0.465 151 K N 0.712 121.107 120.400 -0.008 0.000 3.123 151 K HA 0.241 4.560 4.320 -0.001 0.000 0.209 151 K C -0.599 176.090 176.600 0.147 0.000 1.132 151 K CA -0.307 56.014 56.287 0.057 0.000 0.992 151 K CB 0.530 33.044 32.500 0.023 0.000 0.773 151 K HN 0.027 nan 8.250 nan 0.000 0.458 152 C N 2.443 121.820 119.300 0.128 0.000 2.676 152 C HA 0.234 4.693 4.460 -0.001 0.000 0.416 152 C C 0.608 175.652 174.990 0.090 0.000 1.299 152 C CA -0.156 58.941 59.018 0.132 0.000 2.048 152 C CB -0.398 27.427 27.740 0.142 0.000 2.713 152 C HN 0.720 nan 8.230 nan 0.000 0.624 153 D N 0.046 120.490 120.400 0.075 0.000 2.970 153 D HA 0.114 4.753 4.640 -0.001 0.000 0.344 153 D C 0.497 176.820 176.300 0.039 0.000 1.365 153 D CA -0.535 53.496 54.000 0.052 0.000 0.910 153 D CB -0.049 40.780 40.800 0.049 0.000 1.445 153 D HN 0.477 nan 8.370 nan 0.000 0.532 154 E N -0.058 120.160 120.200 0.029 0.000 2.472 154 E HA -0.127 4.223 4.350 -0.001 0.000 0.200 154 E C -0.034 176.573 176.600 0.012 0.000 1.046 154 E CA 0.943 57.355 56.400 0.020 0.000 0.871 154 E CB -0.379 29.331 29.700 0.016 0.000 0.806 154 E HN 0.398 nan 8.360 nan 0.000 0.533 155 N N 0.178 118.884 118.700 0.009 0.000 2.407 155 N HA 0.150 4.890 4.740 -0.001 0.000 0.182 155 N C 0.060 175.553 175.510 -0.028 0.000 1.079 155 N CA 0.012 53.057 53.050 -0.008 0.000 0.882 155 N CB 1.063 39.544 38.487 -0.010 0.000 1.106 155 N HN 0.183 nan 8.380 nan 0.000 0.461 156 I N 1.086 121.643 120.570 -0.021 0.000 2.512 156 I HA 0.383 4.553 4.170 -0.001 0.000 0.287 156 I C -1.924 174.202 176.117 0.015 0.000 1.069 156 I CA -0.926 60.336 61.300 -0.063 0.000 1.056 156 I CB 1.787 39.681 38.000 -0.178 0.000 1.229 156 I HN -0.231 nan 8.210 nan 0.000 0.429 157 L N 8.833 130.074 121.223 0.030 0.000 2.372 157 L HA 0.550 4.889 4.340 -0.001 0.000 0.273 157 L C -1.688 175.267 176.870 0.141 0.000 0.989 157 L CA -0.261 54.635 54.840 0.094 0.000 0.841 157 L CB 1.202 43.295 42.059 0.058 0.000 1.225 157 L HN 0.760 nan 8.230 nan 0.000 0.414 158 W N 7.329 128.647 121.300 0.030 0.000 2.313 158 W HA 0.613 5.272 4.660 -0.001 0.000 0.328 158 W C -1.268 175.283 176.519 0.054 0.000 1.197 158 W CA -0.403 56.972 57.345 0.050 0.000 1.235 158 W CB 1.170 30.685 29.460 0.091 0.000 1.158 158 W HN 0.539 nan 8.180 nan 0.000 0.578 159 L N 2.538 123.337 121.223 -0.706 0.000 2.409 159 L HA 0.555 4.894 4.340 -0.001 0.000 0.255 159 L C -0.001 176.024 176.870 -1.410 0.000 1.027 159 L CA -0.853 53.520 54.840 -0.780 0.000 0.834 159 L CB 1.634 43.513 42.059 -0.299 0.000 1.426 159 L HN 0.485 nan 8.230 nan 0.000 0.411 160 D N -1.250 118.625 120.400 -0.875 0.000 2.340 160 D HA 0.002 4.642 4.640 -0.001 0.000 0.217 160 D C -0.013 176.175 176.300 -0.187 0.000 1.081 160 D CA 0.327 53.958 54.000 -0.616 0.000 0.842 160 D CB -0.352 40.346 40.800 -0.170 0.000 0.934 160 D HN 0.641 nan 8.370 nan 0.000 0.511 161 Y N 0.857 120.971 120.300 -0.311 0.000 2.676 161 Y HA 0.349 4.898 4.550 -0.001 0.000 0.338 161 Y C 1.720 177.523 175.900 -0.162 0.000 1.057 161 Y CA -0.562 57.426 58.100 -0.185 0.000 1.314 161 Y CB 0.411 38.777 38.460 -0.157 0.000 1.164 161 Y HN -0.022 nan 8.280 nan 0.000 0.509 162 K N 2.725 123.050 120.400 -0.126 0.000 2.160 162 K HA -0.238 4.081 4.320 -0.001 0.000 0.206 162 K C 0.967 177.356 176.600 -0.351 0.000 1.047 162 K CA 2.054 58.228 56.287 -0.188 0.000 0.930 162 K CB -0.463 32.005 32.500 -0.054 0.000 0.720 162 K HN 0.657 nan 8.250 nan 0.000 0.450 163 N N -0.146 118.184 118.700 -0.616 0.000 2.370 163 N HA 0.169 4.908 4.740 -0.001 0.000 0.198 163 N C 1.087 176.094 175.510 -0.839 0.000 1.156 163 N CA 0.005 52.685 53.050 -0.616 0.000 0.839 163 N CB -0.091 38.190 38.487 -0.344 0.000 0.989 163 N HN 0.561 nan 8.380 nan 0.000 0.468 164 I N -0.688 119.291 120.570 -0.986 0.000 2.454 164 I HA -0.284 3.885 4.170 -0.001 0.000 0.254 164 I C 1.216 177.160 176.117 -0.288 0.000 1.156 164 I CA 1.003 61.929 61.300 -0.623 0.000 1.433 164 I CB 0.105 37.903 38.000 -0.337 0.000 1.082 164 I HN 0.136 nan 8.210 nan 0.000 0.432 165 C N 0.980 120.123 119.300 -0.262 0.000 2.432 165 C HA -0.082 4.378 4.460 -0.001 0.000 0.280 165 C C 2.470 177.370 174.990 -0.150 0.000 1.353 165 C CA 0.713 59.618 59.018 -0.187 0.000 1.766 165 C CB -1.078 26.550 27.740 -0.187 0.000 1.924 165 C HN 0.466 nan 8.230 nan 0.000 0.509 166 K N 0.890 121.199 120.400 -0.153 0.000 2.305 166 K HA -0.007 4.312 4.320 -0.001 0.000 0.199 166 K C 1.578 178.138 176.600 -0.068 0.000 1.047 166 K CA 1.153 57.379 56.287 -0.103 0.000 0.976 166 K CB -0.015 32.427 32.500 -0.096 0.000 0.765 166 K HN 0.569 nan 8.250 nan 0.000 0.474 167 V N -1.748 118.129 119.914 -0.062 0.000 3.578 167 V HA 0.123 4.242 4.120 -0.001 0.000 0.290 167 V C 0.579 176.668 176.094 -0.008 0.000 1.376 167 V CA -0.571 61.725 62.300 -0.007 0.000 1.083 167 V CB -0.244 31.619 31.823 0.068 0.000 0.911 167 V HN -0.025 nan 8.190 nan 0.000 0.433 168 V N -1.502 118.390 119.914 -0.036 0.000 3.096 168 V HA 0.806 4.926 4.120 -0.001 0.000 0.319 168 V C -0.522 175.544 176.094 -0.048 0.000 1.103 168 V CA -0.736 61.544 62.300 -0.033 0.000 1.016 168 V CB 1.805 33.605 31.823 -0.039 0.000 1.090 168 V HN 0.443 nan 8.190 nan 0.000 0.449 169 E N 0.216 120.392 120.200 -0.041 0.000 2.410 169 E HA 0.596 4.946 4.350 -0.001 0.000 0.269 169 E C -1.326 175.247 176.600 -0.045 0.000 0.937 169 E CA -1.126 55.247 56.400 -0.045 0.000 0.793 169 E CB 2.352 32.032 29.700 -0.033 0.000 1.314 169 E HN 0.618 nan 8.360 nan 0.000 0.447 170 V N 1.415 121.302 119.914 -0.046 0.000 2.814 170 V HA 0.127 4.246 4.120 -0.001 0.000 0.307 170 V C 1.396 177.473 176.094 -0.029 0.000 1.089 170 V CA 2.173 64.450 62.300 -0.039 0.000 1.212 170 V CB 0.314 32.116 31.823 -0.035 0.000 0.912 170 V HN 1.060 nan 8.190 nan 0.000 0.497 171 G N 3.631 112.415 108.800 -0.027 0.000 2.268 171 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.240 171 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.240 171 G C 0.530 175.418 174.900 -0.020 0.000 1.010 171 G CA 0.190 45.278 45.100 -0.020 0.000 0.618 171 G HN 0.795 nan 8.290 nan 0.000 0.516 172 S N 1.360 117.046 115.700 -0.023 0.000 2.563 172 S HA 0.400 4.870 4.470 -0.001 0.000 0.284 172 S C 0.490 175.067 174.600 -0.038 0.000 1.331 172 S CA 0.391 58.580 58.200 -0.018 0.000 1.047 172 S CB 0.750 63.939 63.200 -0.019 0.000 0.859 172 S HN 0.490 nan 8.310 nan 0.000 0.514 173 K N 2.080 122.462 120.400 -0.029 0.000 2.164 173 K HA 0.568 4.887 4.320 -0.001 0.000 0.258 173 K C -0.752 175.761 176.600 -0.144 0.000 0.951 173 K CA -0.402 55.806 56.287 -0.132 0.000 0.844 173 K CB 1.302 33.734 32.500 -0.114 0.000 1.099 173 K HN 0.473 nan 8.250 nan 0.000 0.435 174 I N 3.167 123.561 120.570 -0.293 0.000 2.466 174 I HA 0.290 4.459 4.170 -0.001 0.000 0.289 174 I C -1.151 174.767 176.117 -0.332 0.000 1.026 174 I CA -0.955 60.243 61.300 -0.169 0.000 1.078 174 I CB 1.189 39.135 38.000 -0.090 0.000 1.249 174 I HN 0.487 nan 8.210 nan 0.000 0.429 175 Y N 4.884 125.195 120.300 0.018 0.000 2.377 175 Y HA 0.639 5.188 4.550 -0.001 0.000 0.339 175 Y C -0.093 175.823 175.900 0.027 0.000 1.011 175 Y CA -0.824 57.290 58.100 0.024 0.000 1.093 175 Y CB 2.099 40.575 38.460 0.028 0.000 1.201 175 Y HN 0.146 nan 8.280 nan 0.000 0.455 176 V N 2.127 122.135 119.914 0.158 0.000 2.709 176 V HA 0.345 4.464 4.120 -0.001 0.000 0.308 176 V C -0.896 175.266 176.094 0.113 0.000 1.062 176 V CA -1.207 61.158 62.300 0.108 0.000 0.901 176 V CB 1.733 33.595 31.823 0.065 0.000 1.003 176 V HN 0.833 nan 8.190 nan 0.000 0.425 177 D N 3.692 124.153 120.400 0.102 0.000 3.437 177 D HA -0.174 4.465 4.640 -0.001 0.000 0.243 177 D C 0.345 176.700 176.300 0.091 0.000 1.104 177 D CA 1.308 55.363 54.000 0.091 0.000 1.009 177 D CB -0.939 39.908 40.800 0.078 0.000 0.937 177 D HN 1.076 nan 8.370 nan 0.000 0.417 178 D N 1.553 122.008 120.400 0.090 0.000 2.737 178 D HA -0.160 4.479 4.640 -0.001 0.000 0.233 178 D C 1.153 177.495 176.300 0.071 0.000 1.155 178 D CA 2.979 57.023 54.000 0.074 0.000 0.667 178 D CB -1.192 39.645 40.800 0.061 0.000 1.060 178 D HN 1.464 nan 8.370 nan 0.000 0.427 179 G N -1.369 107.495 108.800 0.107 0.000 2.168 179 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.257 179 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.257 179 G C 1.058 176.066 174.900 0.179 0.000 0.997 179 G CA 0.585 45.772 45.100 0.145 0.000 0.708 179 G HN 0.583 nan 8.290 nan 0.000 0.520 180 L N -0.904 120.399 121.223 0.133 0.000 2.375 180 L HA 0.376 4.715 4.340 -0.001 0.000 0.215 180 L C 1.431 178.366 176.870 0.108 0.000 1.108 180 L CA 0.504 55.408 54.840 0.107 0.000 0.830 180 L CB 0.053 42.156 42.059 0.074 0.000 0.959 180 L HN 0.266 nan 8.230 nan 0.000 0.457 181 I N -0.009 120.627 120.570 0.111 0.000 2.404 181 I HA 0.222 4.391 4.170 -0.001 0.000 0.293 181 I C -0.098 176.045 176.117 0.044 0.000 0.992 181 I CA -0.262 61.078 61.300 0.067 0.000 1.149 181 I CB 1.858 39.886 38.000 0.047 0.000 1.315 181 I HN 0.010 nan 8.210 nan 0.000 0.446 182 S N 7.109 122.787 115.700 -0.036 0.000 2.548 182 S HA 0.848 5.318 4.470 -0.001 0.000 0.286 182 S C -0.989 173.493 174.600 -0.196 0.000 1.098 182 S CA -0.831 57.228 58.200 -0.235 0.000 0.930 182 S CB 1.914 64.945 63.200 -0.282 0.000 1.070 182 S HN 0.477 nan 8.310 nan 0.000 0.480 183 L N 1.587 122.649 121.223 -0.267 0.000 2.388 183 L HA 0.620 4.959 4.340 -0.001 0.000 0.264 183 L C -0.536 176.232 176.870 -0.171 0.000 0.998 183 L CA -0.699 54.044 54.840 -0.162 0.000 0.817 183 L CB 2.251 44.241 42.059 -0.114 0.000 1.338 183 L HN 0.781 nan 8.230 nan 0.000 0.414 184 Q N 1.385 121.122 119.800 -0.105 0.000 2.322 184 Q HA 0.449 4.788 4.340 -0.001 0.000 0.265 184 Q C -1.259 174.706 176.000 -0.058 0.000 0.985 184 Q CA -0.718 55.035 55.803 -0.082 0.000 0.849 184 Q CB 2.269 30.971 28.738 -0.060 0.000 1.274 184 Q HN 0.488 nan 8.270 nan 0.000 0.449 185 V N 5.917 125.798 119.914 -0.055 0.000 2.425 185 V HA -0.030 4.090 4.120 -0.001 0.000 0.276 185 V C 0.816 176.888 176.094 -0.037 0.000 1.017 185 V CA 0.343 62.615 62.300 -0.046 0.000 1.062 185 V CB 0.524 32.316 31.823 -0.052 0.000 0.997 185 V HN 0.808 nan 8.190 nan 0.000 0.476 186 K N 3.303 123.687 120.400 -0.028 0.000 2.202 186 K HA 0.153 4.473 4.320 -0.001 0.000 0.201 186 K C 0.395 176.981 176.600 -0.024 0.000 1.051 186 K CA 0.829 57.104 56.287 -0.020 0.000 0.977 186 K CB 0.293 32.787 32.500 -0.010 0.000 0.792 186 K HN 0.736 nan 8.250 nan 0.000 0.469 187 Q N 0.442 120.225 119.800 -0.028 0.000 2.305 187 Q HA 0.332 4.671 4.340 -0.001 0.000 0.271 187 Q C -0.980 174.950 176.000 -0.116 0.000 1.046 187 Q CA -0.534 55.238 55.803 -0.051 0.000 0.798 187 Q CB 2.687 31.417 28.738 -0.013 0.000 1.286 187 Q HN -0.203 nan 8.270 nan 0.000 0.435 188 K N 1.525 121.833 120.400 -0.154 0.000 2.276 188 K HA 0.478 4.798 4.320 -0.001 0.000 0.285 188 K C -0.119 176.249 176.600 -0.386 0.000 1.062 188 K CA -0.141 56.002 56.287 -0.240 0.000 0.918 188 K CB 1.339 33.735 32.500 -0.174 0.000 1.055 188 K HN 0.796 nan 8.250 nan 0.000 0.477 189 G N 0.775 109.134 108.800 -0.733 0.000 2.753 189 G HA2 0.440 4.400 3.960 -0.001 0.000 0.285 189 G HA3 0.440 4.400 3.960 -0.001 0.000 0.285 189 G C 0.588 175.108 174.900 -0.634 0.000 1.344 189 G CA -0.211 44.253 45.100 -1.060 0.000 1.050 189 G HN 0.542 nan 8.290 nan 0.000 0.532 190 A N -1.852 120.713 122.820 -0.425 0.000 1.898 190 A HA 0.347 4.666 4.320 -0.001 0.000 0.214 190 A C 1.816 179.344 177.584 -0.095 0.000 1.183 190 A CA 2.232 54.174 52.037 -0.158 0.000 0.622 190 A CB -0.542 18.444 19.000 -0.024 0.000 0.824 190 A HN 0.988 nan 8.150 nan 0.000 0.444 191 D N -1.502 118.917 120.400 0.032 0.000 2.535 191 D HA 0.503 5.143 4.640 -0.001 0.000 0.229 191 D C -0.100 176.343 176.300 0.238 0.000 1.238 191 D CA 0.245 54.328 54.000 0.137 0.000 0.824 191 D CB -0.438 40.486 40.800 0.208 0.000 1.045 191 D HN 0.724 nan 8.370 nan 0.000 0.500 192 F N -2.821 117.096 119.950 -0.056 0.000 2.807 192 F HA 0.711 5.237 4.527 -0.001 0.000 0.316 192 F C -2.162 173.600 175.800 -0.064 0.000 1.162 192 F CA -1.657 56.305 58.000 -0.063 0.000 0.910 192 F CB 1.204 40.170 39.000 -0.056 0.000 1.314 192 F HN -0.096 nan 8.300 nan 0.000 0.454 193 L N 2.365 123.633 121.223 0.075 0.000 2.436 193 L HA 0.717 5.056 4.340 -0.001 0.000 0.268 193 L C -1.141 175.795 176.870 0.111 0.000 0.974 193 L CA -1.259 53.569 54.840 -0.019 0.000 0.826 193 L CB 2.013 44.039 42.059 -0.055 0.000 1.291 193 L HN 0.599 nan 8.230 nan 0.000 0.406 194 V N 1.490 121.461 119.914 0.094 0.000 2.407 194 V HA 0.583 4.702 4.120 -0.001 0.000 0.278 194 V C 0.408 176.515 176.094 0.022 0.000 1.037 194 V CA -0.183 62.169 62.300 0.086 0.000 0.900 194 V CB 1.623 33.510 31.823 0.108 0.000 0.983 194 V HN 0.932 nan 8.190 nan 0.000 0.459 195 T N 1.439 115.998 114.554 0.009 0.000 2.916 195 T HA 0.673 5.022 4.350 -0.001 0.000 0.292 195 T C -0.787 173.904 174.700 -0.015 0.000 1.064 195 T CA -0.802 61.289 62.100 -0.014 0.000 1.011 195 T CB 2.328 71.179 68.868 -0.029 0.000 1.152 195 T HN 0.641 nan 8.240 nan 0.000 0.510 196 E N 1.057 121.242 120.200 -0.025 0.000 2.171 196 E HA 0.531 4.880 4.350 -0.001 0.000 0.271 196 E C -0.924 175.656 176.600 -0.032 0.000 0.916 196 E CA -0.974 55.413 56.400 -0.022 0.000 0.774 196 E CB 1.713 31.402 29.700 -0.019 0.000 1.128 196 E HN 0.583 nan 8.360 nan 0.000 0.403 197 V N 3.956 123.855 119.914 -0.024 0.000 2.479 197 V HA -0.010 4.110 4.120 -0.001 0.000 0.281 197 V C 0.881 176.960 176.094 -0.025 0.000 1.031 197 V CA 0.159 62.443 62.300 -0.027 0.000 1.038 197 V CB 0.987 32.803 31.823 -0.013 0.000 0.981 197 V HN 0.738 nan 8.190 nan 0.000 0.478 198 E N 2.796 122.974 120.200 -0.035 0.000 2.083 198 E HA 0.066 4.416 4.350 -0.001 0.000 0.193 198 E C 0.452 177.049 176.600 -0.005 0.000 0.950 198 E CA 0.386 56.773 56.400 -0.022 0.000 0.849 198 E CB 0.039 29.718 29.700 -0.035 0.000 0.827 198 E HN 0.873 nan 8.360 nan 0.000 0.465 199 N N 0.349 119.048 118.700 -0.002 0.000 2.457 199 N HA 0.501 5.241 4.740 -0.001 0.000 0.250 199 N C -0.111 175.408 175.510 0.016 0.000 0.982 199 N CA -0.197 52.865 53.050 0.020 0.000 0.941 199 N CB 1.729 40.245 38.487 0.048 0.000 1.120 199 N HN 0.331 nan 8.380 nan 0.000 0.505 200 G N 0.604 109.414 108.800 0.016 0.000 2.532 200 G HA2 0.797 4.757 3.960 -0.001 0.000 0.291 200 G HA3 0.797 4.757 3.960 -0.001 0.000 0.291 200 G C 0.046 174.960 174.900 0.024 0.000 1.349 200 G CA -0.136 44.973 45.100 0.016 0.000 1.038 200 G HN 0.718 nan 8.290 nan 0.000 0.518 201 G N -2.111 106.703 108.800 0.023 0.000 2.357 201 G HA2 0.349 4.309 3.960 -0.001 0.000 0.289 201 G HA3 0.349 4.309 3.960 -0.001 0.000 0.289 201 G C -0.591 174.325 174.900 0.027 0.000 1.302 201 G CA -0.153 44.963 45.100 0.027 0.000 0.936 201 G HN 1.056 nan 8.290 nan 0.000 0.513 202 S N -0.246 115.472 115.700 0.029 0.000 2.481 202 S HA 0.452 4.921 4.470 -0.001 0.000 0.276 202 S C 0.027 174.648 174.600 0.034 0.000 1.247 202 S CA -0.177 58.041 58.200 0.029 0.000 1.053 202 S CB 1.116 64.332 63.200 0.028 0.000 0.925 202 S HN 0.957 nan 8.310 nan 0.000 0.491 203 L N 4.771 126.015 121.223 0.035 0.000 2.265 203 L HA 0.701 5.040 4.340 -0.001 0.000 0.289 203 L C 0.497 177.393 176.870 0.043 0.000 1.033 203 L CA 0.165 55.030 54.840 0.041 0.000 0.814 203 L CB 0.441 42.524 42.059 0.041 0.000 1.203 203 L HN 0.670 nan 8.230 nan 0.000 0.423 204 G N 2.636 111.464 108.800 0.048 0.000 2.642 204 G HA2 0.507 4.467 3.960 -0.001 0.000 0.291 204 G HA3 0.507 4.467 3.960 -0.001 0.000 0.291 204 G C -0.907 174.029 174.900 0.061 0.000 1.345 204 G CA -0.662 44.467 45.100 0.048 0.000 1.043 204 G HN 0.590 nan 8.290 nan 0.000 0.528 205 S N -0.183 115.552 115.700 0.058 0.000 2.586 205 S HA 0.361 4.830 4.470 -0.001 0.000 0.274 205 S C -0.023 174.629 174.600 0.088 0.000 1.281 205 S CA -0.475 57.769 58.200 0.072 0.000 1.035 205 S CB 1.064 64.296 63.200 0.053 0.000 0.962 205 S HN 0.562 nan 8.310 nan 0.000 0.512 206 K N 0.469 120.940 120.400 0.119 0.000 3.148 206 K HA -0.146 4.174 4.320 -0.001 0.000 0.267 206 K C -0.711 175.968 176.600 0.131 0.000 0.996 206 K CA 0.524 56.894 56.287 0.139 0.000 0.737 206 K CB -1.044 31.536 32.500 0.134 0.000 1.308 206 K HN 0.336 nan 8.250 nan 0.000 0.470 207 K N 0.391 120.860 120.400 0.115 0.000 2.098 207 K HA 0.309 4.628 4.320 -0.001 0.000 0.261 207 K C 0.841 177.503 176.600 0.103 0.000 0.987 207 K CA -0.225 56.126 56.287 0.106 0.000 0.916 207 K CB 1.171 33.726 32.500 0.090 0.000 1.039 207 K HN 0.303 nan 8.250 nan 0.000 0.455 208 G N 0.415 109.279 108.800 0.107 0.000 2.442 208 G HA2 0.382 4.341 3.960 -0.001 0.000 0.249 208 G HA3 0.382 4.341 3.960 -0.001 0.000 0.249 208 G C -0.590 174.362 174.900 0.087 0.000 1.263 208 G CA -0.378 44.782 45.100 0.099 0.000 0.846 208 G HN 0.217 nan 8.290 nan 0.000 0.555 209 V N 2.480 122.430 119.914 0.060 0.000 2.604 209 V HA 0.414 4.534 4.120 -0.001 0.000 0.305 209 V C -0.478 175.644 176.094 0.048 0.000 1.043 209 V CA -1.028 61.307 62.300 0.059 0.000 0.888 209 V CB 2.072 33.914 31.823 0.032 0.000 0.995 209 V HN 0.811 nan 8.190 nan 0.000 0.429 210 N N 3.431 122.192 118.700 0.103 0.000 2.238 210 N HA 0.714 5.453 4.740 -0.001 0.000 0.302 210 N C -1.182 174.415 175.510 0.146 0.000 1.072 210 N CA -0.621 52.487 53.050 0.097 0.000 0.792 210 N CB 2.235 40.788 38.487 0.110 0.000 1.425 210 N HN 0.558 nan 8.380 nan 0.000 0.478 211 L N 2.670 123.945 121.223 0.087 0.000 2.502 211 L HA 0.403 4.743 4.340 -0.001 0.000 0.247 211 L C -1.828 175.098 176.870 0.092 0.000 1.180 211 L CA -1.397 53.503 54.840 0.099 0.000 0.956 211 L CB 1.262 43.360 42.059 0.065 0.000 1.282 211 L HN 0.406 nan 8.230 nan 0.000 0.470 212 P HA -0.116 nan 4.420 nan 0.000 0.216 212 P C 1.697 179.041 177.300 0.074 0.000 1.153 212 P CA 1.053 64.209 63.100 0.093 0.000 0.848 212 P CB 0.361 32.119 31.700 0.096 0.000 0.787 213 G N -0.181 108.668 108.800 0.082 0.000 2.418 213 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.217 213 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.217 213 G C 0.731 175.646 174.900 0.025 0.000 1.158 213 G CA 0.693 45.820 45.100 0.045 0.000 0.771 213 G HN 0.493 nan 8.290 nan 0.000 0.545 214 A N -0.168 122.672 122.820 0.034 0.000 2.304 214 A HA 0.703 5.022 4.320 -0.001 0.000 0.271 214 A C 0.427 178.022 177.584 0.018 0.000 1.091 214 A CA 0.311 52.365 52.037 0.028 0.000 0.812 214 A CB 0.746 19.776 19.000 0.049 0.000 1.056 214 A HN 1.030 nan 8.150 nan 0.000 0.489 215 A N 1.893 124.723 122.820 0.017 0.000 2.582 215 A HA 0.526 4.845 4.320 -0.001 0.000 0.336 215 A C -0.095 177.502 177.584 0.020 0.000 1.445 215 A CA -0.389 51.653 52.037 0.008 0.000 0.997 215 A CB -0.552 18.450 19.000 0.003 0.000 1.148 215 A HN 0.816 nan 8.150 nan 0.000 0.514 216 V N 2.965 122.870 119.914 -0.015 0.000 2.585 216 V HA 0.050 4.170 4.120 -0.001 0.000 0.296 216 V C 0.729 176.790 176.094 -0.056 0.000 1.035 216 V CA 0.609 62.872 62.300 -0.061 0.000 1.084 216 V CB 0.901 32.571 31.823 -0.255 0.000 0.953 216 V HN 0.930 nan 8.190 nan 0.000 0.483 217 D N 3.973 124.392 120.400 0.031 0.000 2.525 217 D HA 0.150 4.789 4.640 -0.001 0.000 0.229 217 D C 0.159 176.465 176.300 0.010 0.000 1.202 217 D CA -0.318 53.703 54.000 0.035 0.000 0.828 217 D CB -0.056 40.793 40.800 0.081 0.000 1.008 217 D HN 0.399 nan 8.370 nan 0.000 0.493 218 L N 1.015 122.171 121.223 -0.111 0.000 2.452 218 L HA 0.291 4.630 4.340 -0.001 0.000 0.267 218 L C -1.605 175.225 176.870 -0.067 0.000 1.188 218 L CA -1.570 53.201 54.840 -0.115 0.000 0.821 218 L CB 0.170 42.070 42.059 -0.265 0.000 1.102 218 L HN -0.033 nan 8.230 nan 0.000 0.470 219 P HA 0.090 nan 4.420 nan 0.000 0.275 219 P C -0.015 177.279 177.300 -0.010 0.000 1.227 219 P CA -0.371 62.723 63.100 -0.010 0.000 0.781 219 P CB 1.270 32.975 31.700 0.008 0.000 0.906 220 A N 3.291 126.114 122.820 0.005 0.000 1.908 220 A HA -0.036 4.283 4.320 -0.001 0.000 0.218 220 A C 0.974 178.579 177.584 0.035 0.000 1.181 220 A CA 1.436 53.487 52.037 0.022 0.000 0.627 220 A CB -0.607 18.405 19.000 0.021 0.000 0.818 220 A HN 0.437 nan 8.150 nan 0.000 0.445 221 V N 1.379 121.311 119.914 0.029 0.000 2.340 221 V HA 0.331 4.450 4.120 -0.001 0.000 0.277 221 V C 0.262 176.377 176.094 0.034 0.000 1.017 221 V CA -0.262 62.058 62.300 0.034 0.000 0.820 221 V CB 0.751 32.593 31.823 0.032 0.000 1.028 221 V HN 0.559 nan 8.190 nan 0.000 0.436 222 S N 2.543 118.265 115.700 0.037 0.000 2.641 222 S HA 0.187 4.656 4.470 -0.001 0.000 0.261 222 S C 1.183 175.811 174.600 0.046 0.000 1.257 222 S CA 0.157 58.379 58.200 0.037 0.000 0.983 222 S CB 1.394 64.616 63.200 0.036 0.000 0.990 222 S HN 0.503 nan 8.310 nan 0.000 0.572 223 E N 0.369 120.597 120.200 0.046 0.000 2.085 223 E HA -0.164 4.186 4.350 -0.001 0.000 0.194 223 E C 2.010 178.649 176.600 0.065 0.000 0.994 223 E CA 1.669 58.099 56.400 0.051 0.000 0.801 223 E CB -0.612 29.116 29.700 0.045 0.000 0.743 223 E HN 0.763 nan 8.360 nan 0.000 0.453 224 K N 0.258 120.698 120.400 0.067 0.000 2.057 224 K HA -0.191 4.128 4.320 -0.001 0.000 0.206 224 K C 1.842 178.511 176.600 0.115 0.000 1.050 224 K CA 1.780 58.119 56.287 0.087 0.000 0.935 224 K CB -0.162 32.386 32.500 0.079 0.000 0.715 224 K HN 0.144 nan 8.250 nan 0.000 0.439 225 D N 1.041 121.496 120.400 0.091 0.000 2.123 225 D HA -0.176 4.463 4.640 -0.001 0.000 0.196 225 D C 1.976 178.318 176.300 0.069 0.000 0.992 225 D CA 1.239 55.286 54.000 0.078 0.000 0.833 225 D CB -0.185 40.650 40.800 0.058 0.000 0.954 225 D HN 0.317 nan 8.370 nan 0.000 0.455 226 I N 1.038 121.648 120.570 0.068 0.000 2.163 226 I HA -0.279 3.890 4.170 -0.001 0.000 0.243 226 I C 2.471 178.644 176.117 0.094 0.000 1.085 226 I CA 1.035 62.373 61.300 0.064 0.000 1.347 226 I CB -0.186 37.849 38.000 0.058 0.000 1.044 226 I HN -0.033 nan 8.210 nan 0.000 0.408 227 Q N 0.385 120.264 119.800 0.133 0.000 2.119 227 Q HA -0.193 4.147 4.340 -0.001 0.000 0.201 227 Q C 1.774 177.942 176.000 0.280 0.000 0.972 227 Q CA 1.400 57.330 55.803 0.211 0.000 0.847 227 Q CB -0.420 28.450 28.738 0.219 0.000 0.903 227 Q HN 0.538 nan 8.270 nan 0.000 0.433 228 D N 0.492 121.040 120.400 0.247 0.000 2.117 228 D HA -0.071 4.568 4.640 -0.001 0.000 0.198 228 D C 2.149 178.438 176.300 -0.017 0.000 0.982 228 D CA 0.648 54.745 54.000 0.162 0.000 0.828 228 D CB -0.146 40.737 40.800 0.138 0.000 0.967 228 D HN 0.185 nan 8.370 nan 0.000 0.464 229 L N 0.594 121.806 121.223 -0.018 0.000 2.093 229 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 229 L C 2.325 179.179 176.870 -0.027 0.000 1.085 229 L CA 0.860 55.664 54.840 -0.060 0.000 0.755 229 L CB -0.229 41.808 42.059 -0.037 0.000 0.904 229 L HN -0.105 nan 8.230 nan 0.000 0.435 230 K N -0.181 120.238 120.400 0.032 0.000 2.103 230 K HA -0.200 4.120 4.320 -0.001 0.000 0.207 230 K C 2.036 178.659 176.600 0.039 0.000 1.048 230 K CA 1.534 57.846 56.287 0.041 0.000 0.930 230 K CB -0.639 31.909 32.500 0.081 0.000 0.716 230 K HN 0.196 nan 8.250 nan 0.000 0.444 231 F N 1.485 121.367 119.950 -0.112 0.000 2.134 231 F HA -0.103 4.423 4.527 -0.001 0.000 0.299 231 F C 2.138 177.837 175.800 -0.167 0.000 1.097 231 F CA 1.736 59.623 58.000 -0.188 0.000 1.264 231 F CB -0.685 38.009 39.000 -0.510 0.000 1.001 231 F HN 0.073 nan 8.300 nan 0.000 0.479 232 G N 0.448 109.138 108.800 -0.182 0.000 2.529 232 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.219 232 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.219 232 G C 1.766 176.520 174.900 -0.243 0.000 1.177 232 G CA 1.597 46.535 45.100 -0.270 0.000 0.773 232 G HN 0.354 nan 8.290 nan 0.000 0.573 233 V N 0.834 120.651 119.914 -0.163 0.000 2.231 233 V HA -0.236 3.883 4.120 -0.001 0.000 0.248 233 V C 3.022 179.027 176.094 -0.149 0.000 1.054 233 V CA 2.477 64.704 62.300 -0.123 0.000 1.015 233 V CB -1.061 30.719 31.823 -0.072 0.000 0.638 233 V HN 0.492 nan 8.190 nan 0.000 0.444 234 E N -1.093 119.003 120.200 -0.173 0.000 2.130 234 E HA -0.250 4.099 4.350 -0.001 0.000 0.196 234 E C 2.050 178.498 176.600 -0.252 0.000 0.998 234 E CA 1.288 57.579 56.400 -0.182 0.000 0.806 234 E CB -0.415 29.190 29.700 -0.159 0.000 0.738 234 E HN 0.697 nan 8.360 nan 0.000 0.459 235 Q N -0.280 119.273 119.800 -0.411 0.000 2.403 235 Q HA 0.054 4.393 4.340 -0.001 0.000 0.203 235 Q C 0.183 176.055 176.000 -0.213 0.000 0.932 235 Q CA 0.675 56.254 55.803 -0.374 0.000 0.945 235 Q CB 0.114 28.496 28.738 -0.592 0.000 1.045 235 Q HN 0.398 nan 8.270 nan 0.000 0.511 236 D N 0.058 120.356 120.400 -0.171 0.000 2.746 236 D HA -0.143 4.497 4.640 -0.001 0.000 0.236 236 D C -0.170 176.072 176.300 -0.097 0.000 1.129 236 D CA 0.598 54.534 54.000 -0.106 0.000 0.691 236 D CB -1.329 39.428 40.800 -0.073 0.000 1.077 236 D HN 0.175 nan 8.370 nan 0.000 0.432 237 V N -2.692 117.145 119.914 -0.128 0.000 3.096 237 V HA 0.259 4.379 4.120 -0.001 0.000 0.306 237 V C 1.385 177.429 176.094 -0.083 0.000 1.088 237 V CA 0.462 62.693 62.300 -0.115 0.000 1.129 237 V CB 1.218 32.944 31.823 -0.162 0.000 1.014 237 V HN 0.046 nan 8.190 nan 0.000 0.486 238 D N 2.297 122.655 120.400 -0.070 0.000 2.301 238 D HA 0.184 4.824 4.640 -0.001 0.000 0.206 238 D C 0.642 176.919 176.300 -0.039 0.000 0.979 238 D CA 1.524 55.505 54.000 -0.031 0.000 0.874 238 D CB 0.516 41.318 40.800 0.003 0.000 0.968 238 D HN 0.833 nan 8.370 nan 0.000 0.510 239 M N -1.522 118.020 119.600 -0.097 0.000 2.682 239 M HA 0.468 4.947 4.480 -0.001 0.000 0.272 239 M C -1.966 174.201 176.300 -0.222 0.000 1.232 239 M CA -0.882 54.358 55.300 -0.099 0.000 0.849 239 M CB 2.896 35.487 32.600 -0.015 0.000 1.695 239 M HN -0.418 nan 8.290 nan 0.000 0.481 240 V N 2.396 122.223 119.914 -0.144 0.000 2.531 240 V HA 0.558 4.678 4.120 -0.001 0.000 0.301 240 V C -1.392 174.714 176.094 0.020 0.000 1.034 240 V CA -0.386 61.809 62.300 -0.176 0.000 0.865 240 V CB 1.901 33.659 31.823 -0.109 0.000 0.995 240 V HN 0.674 nan 8.190 nan 0.000 0.424 241 F N 3.572 123.478 119.950 -0.073 0.000 2.350 241 F HA 0.643 5.170 4.527 -0.001 0.000 0.365 241 F C 0.752 176.507 175.800 -0.075 0.000 1.122 241 F CA -1.559 56.400 58.000 -0.070 0.000 1.139 241 F CB 0.790 39.753 39.000 -0.062 0.000 1.220 241 F HN 0.501 nan 8.300 nan 0.000 0.499 242 A N 2.844 125.724 122.820 0.101 0.000 2.310 242 A HA 0.513 4.833 4.320 -0.001 0.000 0.300 242 A C 0.426 178.012 177.584 0.002 0.000 1.269 242 A CA -0.385 51.673 52.037 0.035 0.000 0.909 242 A CB -0.145 18.864 19.000 0.015 0.000 1.144 242 A HN 0.626 nan 8.150 nan 0.000 0.540 243 S N 1.330 117.024 115.700 -0.010 0.000 2.576 243 S HA 0.406 4.875 4.470 -0.001 0.000 0.276 243 S C 0.084 174.671 174.600 -0.021 0.000 1.339 243 S CA 0.005 58.115 58.200 -0.150 0.000 1.039 243 S CB -0.357 62.756 63.200 -0.146 0.000 0.902 243 S HN 0.797 nan 8.310 nan 0.000 0.516 244 F N -0.636 119.312 119.950 -0.002 0.000 3.093 244 F HA -0.168 4.359 4.527 -0.001 0.000 0.287 244 F C 0.291 176.081 175.800 -0.017 0.000 0.882 244 F CA -0.308 57.684 58.000 -0.013 0.000 1.063 244 F CB -1.574 37.413 39.000 -0.022 0.000 1.097 244 F HN 0.397 nan 8.300 nan 0.000 0.604 245 I N 1.322 121.943 120.570 0.085 0.000 2.742 245 I HA -0.067 4.103 4.170 -0.001 0.000 0.287 245 I C 1.527 177.671 176.117 0.045 0.000 1.186 245 I CA 0.851 62.174 61.300 0.039 0.000 1.417 245 I CB 0.639 38.629 38.000 -0.017 0.000 1.377 245 I HN 0.365 nan 8.210 nan 0.000 0.556 246 R N 5.055 125.576 120.500 0.036 0.000 2.279 246 R HA 0.144 4.483 4.340 -0.001 0.000 0.195 246 R C 0.011 176.316 176.300 0.008 0.000 0.905 246 R CA 0.309 56.430 56.100 0.036 0.000 1.044 246 R CB 0.595 30.917 30.300 0.037 0.000 1.056 246 R HN 0.670 nan 8.270 nan 0.000 0.535 247 K N -2.863 117.523 120.400 -0.024 0.000 2.617 247 K HA 0.479 4.798 4.320 -0.001 0.000 0.293 247 K C -0.015 176.519 176.600 -0.110 0.000 1.034 247 K CA -0.285 55.973 56.287 -0.048 0.000 0.884 247 K CB 0.785 33.271 32.500 -0.024 0.000 1.541 247 K HN -0.176 nan 8.250 nan 0.000 0.409 248 A N 0.985 123.720 122.820 -0.142 0.000 1.917 248 A HA -0.215 4.104 4.320 -0.001 0.000 0.219 248 A C 2.149 179.477 177.584 -0.427 0.000 1.182 248 A CA 2.648 54.507 52.037 -0.297 0.000 0.633 248 A CB -1.352 17.527 19.000 -0.202 0.000 0.819 248 A HN 0.853 nan 8.150 nan 0.000 0.448 249 S N 0.164 115.778 115.700 -0.143 0.000 2.419 249 S HA -0.192 4.278 4.470 -0.001 0.000 0.233 249 S C 1.351 175.931 174.600 -0.034 0.000 1.016 249 S CA 1.430 59.631 58.200 0.001 0.000 0.974 249 S CB -0.543 62.698 63.200 0.069 0.000 0.786 249 S HN 0.534 nan 8.310 nan 0.000 0.492 250 D N 1.871 122.232 120.400 -0.065 0.000 2.117 250 D HA -0.054 4.585 4.640 -0.001 0.000 0.197 250 D C 2.145 178.410 176.300 -0.057 0.000 0.987 250 D CA 1.250 55.228 54.000 -0.038 0.000 0.829 250 D CB -0.614 40.170 40.800 -0.025 0.000 0.961 250 D HN 0.399 nan 8.370 nan 0.000 0.460 251 V N 0.606 120.433 119.914 -0.145 0.000 2.358 251 V HA -0.233 3.886 4.120 -0.001 0.000 0.246 251 V C 1.997 178.051 176.094 -0.067 0.000 1.047 251 V CA 1.673 63.888 62.300 -0.143 0.000 1.035 251 V CB -0.849 30.831 31.823 -0.238 0.000 0.658 251 V HN 0.322 nan 8.190 nan 0.000 0.452 252 H N 0.081 119.144 119.070 -0.012 0.000 2.389 252 H HA -0.105 4.450 4.556 -0.001 0.000 0.299 252 H C 2.423 177.748 175.328 -0.004 0.000 1.081 252 H CA 1.370 57.412 56.048 -0.009 0.000 1.345 252 H CB 0.101 29.857 29.762 -0.009 0.000 1.393 252 H HN 0.511 nan 8.280 nan 0.000 0.520 253 E N 0.419 120.681 120.200 0.104 0.000 2.077 253 E HA -0.143 4.206 4.350 -0.001 0.000 0.193 253 E C 2.300 178.925 176.600 0.042 0.000 0.989 253 E CA 1.197 57.633 56.400 0.060 0.000 0.800 253 E CB 0.064 29.789 29.700 0.042 0.000 0.746 253 E HN 0.235 nan 8.360 nan 0.000 0.452 254 V N 1.050 120.981 119.914 0.030 0.000 2.307 254 V HA -0.246 3.873 4.120 -0.001 0.000 0.245 254 V C 2.375 178.481 176.094 0.019 0.000 1.045 254 V CA 1.869 64.178 62.300 0.016 0.000 1.024 254 V CB -0.429 31.395 31.823 0.002 0.000 0.651 254 V HN 0.120 nan 8.190 nan 0.000 0.449 255 R N 1.158 121.679 120.500 0.035 0.000 2.096 255 R HA -0.194 4.145 4.340 -0.001 0.000 0.240 255 R C 2.468 178.786 176.300 0.030 0.000 1.139 255 R CA 2.368 58.491 56.100 0.039 0.000 0.952 255 R CB -0.729 29.617 30.300 0.076 0.000 0.854 255 R HN 0.371 nan 8.270 nan 0.000 0.436 256 K N -0.741 119.681 120.400 0.038 0.000 2.063 256 K HA -0.050 4.269 4.320 -0.001 0.000 0.208 256 K C 2.022 178.633 176.600 0.018 0.000 1.048 256 K CA 1.649 57.951 56.287 0.026 0.000 0.928 256 K CB -0.795 31.724 32.500 0.031 0.000 0.713 256 K HN 0.224 nan 8.250 nan 0.000 0.442 257 V N 1.334 121.259 119.914 0.019 0.000 2.358 257 V HA -0.142 3.978 4.120 -0.001 0.000 0.246 257 V C 2.485 178.583 176.094 0.006 0.000 1.047 257 V CA 2.123 64.432 62.300 0.015 0.000 1.035 257 V CB -0.507 31.327 31.823 0.017 0.000 0.658 257 V HN 0.388 nan 8.190 nan 0.000 0.452 258 L N -0.182 121.040 121.223 -0.001 0.000 2.083 258 L HA 0.117 4.457 4.340 -0.001 0.000 0.209 258 L C 1.525 178.391 176.870 -0.007 0.000 1.083 258 L CA 1.108 55.941 54.840 -0.012 0.000 0.752 258 L CB -1.150 40.898 42.059 -0.018 0.000 0.899 258 L HN 0.588 nan 8.230 nan 0.000 0.433 259 G N -0.146 108.654 108.800 -0.000 0.000 2.698 259 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.233 259 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.233 259 G C 0.596 175.495 174.900 -0.002 0.000 1.352 259 G CA 0.223 45.323 45.100 0.001 0.000 0.879 259 G HN 0.212 nan 8.290 nan 0.000 0.567 260 E N 0.379 120.578 120.200 -0.003 0.000 2.085 260 E HA -0.214 4.135 4.350 -0.001 0.000 0.194 260 E C 3.018 179.614 176.600 -0.007 0.000 0.994 260 E CA 2.948 59.345 56.400 -0.004 0.000 0.801 260 E CB -0.543 29.155 29.700 -0.004 0.000 0.743 260 E HN 0.983 nan 8.360 nan 0.000 0.453 261 K N 0.298 120.693 120.400 -0.008 0.000 2.147 261 K HA -0.071 4.249 4.320 -0.001 0.000 0.205 261 K C 1.992 178.581 176.600 -0.019 0.000 1.049 261 K CA 1.542 57.822 56.287 -0.013 0.000 0.936 261 K CB -1.059 31.433 32.500 -0.014 0.000 0.722 261 K HN 0.273 nan 8.250 nan 0.000 0.446 262 G N 1.292 110.081 108.800 -0.019 0.000 3.448 262 G HA2 0.115 4.075 3.960 -0.001 0.000 0.261 262 G HA3 0.115 4.075 3.960 -0.001 0.000 0.261 262 G C 1.179 176.070 174.900 -0.015 0.000 1.173 262 G CA 0.499 45.585 45.100 -0.024 0.000 0.835 262 G HN 0.713 nan 8.290 nan 0.000 0.534 263 K N -0.468 119.927 120.400 -0.008 0.000 2.288 263 K HA 0.054 4.374 4.320 -0.001 0.000 0.201 263 K C 1.127 177.729 176.600 0.004 0.000 1.048 263 K CA 0.642 56.928 56.287 -0.001 0.000 0.956 263 K CB 0.042 32.542 32.500 -0.001 0.000 0.746 263 K HN 0.010 nan 8.250 nan 0.000 0.461 264 N N 0.912 119.613 118.700 0.002 0.000 2.336 264 N HA 0.159 4.899 4.740 -0.001 0.000 0.189 264 N C -0.100 175.417 175.510 0.012 0.000 1.113 264 N CA 0.147 53.203 53.050 0.011 0.000 0.858 264 N CB 0.244 38.736 38.487 0.010 0.000 0.970 264 N HN 0.232 nan 8.380 nan 0.000 0.471 265 I N 1.721 122.290 120.570 -0.002 0.000 2.471 265 I HA 0.023 4.193 4.170 -0.001 0.000 0.286 265 I C 0.356 176.474 176.117 0.002 0.000 1.079 265 I CA -0.442 60.852 61.300 -0.011 0.000 1.398 265 I CB 0.588 38.567 38.000 -0.036 0.000 1.403 265 I HN -0.355 nan 8.210 nan 0.000 0.530 266 K N 7.453 127.860 120.400 0.013 0.000 2.339 266 K HA 0.390 4.710 4.320 -0.001 0.000 0.286 266 K C -0.394 176.220 176.600 0.023 0.000 1.050 266 K CA -0.081 56.221 56.287 0.025 0.000 0.956 266 K CB 0.768 33.292 32.500 0.041 0.000 0.990 266 K HN 0.495 nan 8.250 nan 0.000 0.475 267 I N 4.889 125.470 120.570 0.019 0.000 2.307 267 I HA 0.155 4.324 4.170 -0.001 0.000 0.289 267 I C -0.038 176.096 176.117 0.028 0.000 1.021 267 I CA -0.632 60.681 61.300 0.021 0.000 1.224 267 I CB 0.717 38.718 38.000 0.003 0.000 1.376 267 I HN 0.186 nan 8.210 nan 0.000 0.470 268 I N 5.395 126.016 120.570 0.084 0.000 2.312 268 I HA 0.214 4.384 4.170 -0.001 0.000 0.290 268 I C 0.377 176.503 176.117 0.015 0.000 1.008 268 I CA -0.185 61.145 61.300 0.049 0.000 1.226 268 I CB 1.135 39.200 38.000 0.108 0.000 1.371 268 I HN 0.433 nan 8.210 nan 0.000 0.468 269 S N 6.645 122.319 115.700 -0.043 0.000 2.465 269 S HA 0.288 4.758 4.470 -0.001 0.000 0.279 269 S C 0.236 174.797 174.600 -0.065 0.000 1.201 269 S CA -0.626 57.543 58.200 -0.053 0.000 1.053 269 S CB 0.559 63.708 63.200 -0.085 0.000 0.953 269 S HN 0.356 nan 8.310 nan 0.000 0.488 270 K N 2.950 123.307 120.400 -0.072 0.000 2.297 270 K HA 0.317 4.636 4.320 -0.001 0.000 0.286 270 K C -0.539 176.009 176.600 -0.087 0.000 1.053 270 K CA -0.279 55.940 56.287 -0.113 0.000 0.940 270 K CB 0.517 32.915 32.500 -0.170 0.000 1.019 270 K HN 0.423 nan 8.250 nan 0.000 0.475 271 I N 4.310 124.846 120.570 -0.057 0.000 2.307 271 I HA 0.080 4.249 4.170 -0.001 0.000 0.289 271 I C 0.546 176.633 176.117 -0.049 0.000 1.021 271 I CA 0.053 61.349 61.300 -0.006 0.000 1.224 271 I CB 0.795 38.842 38.000 0.078 0.000 1.376 271 I HN 0.806 nan 8.210 nan 0.000 0.470 272 E N 4.387 124.566 120.200 -0.034 0.000 2.862 272 E HA 0.167 4.516 4.350 -0.001 0.000 0.204 272 E C -0.607 176.034 176.600 0.067 0.000 0.966 272 E CA -0.477 55.901 56.400 -0.037 0.000 1.257 272 E CB 0.361 29.956 29.700 -0.175 0.000 1.053 272 E HN 0.677 nan 8.360 nan 0.000 0.487 273 N N -0.838 117.909 118.700 0.079 0.000 2.853 273 N HA 0.102 4.841 4.740 -0.001 0.000 0.258 273 N C 0.265 175.825 175.510 0.084 0.000 1.444 273 N CA -0.788 52.323 53.050 0.101 0.000 0.837 273 N CB 0.462 39.039 38.487 0.151 0.000 1.489 273 N HN -0.137 nan 8.380 nan 0.000 0.529 274 H N -0.192 118.890 119.070 0.019 0.000 2.357 274 H HA -0.006 4.549 4.556 -0.001 0.000 0.301 274 H C 1.054 176.390 175.328 0.014 0.000 1.082 274 H CA 2.104 58.155 56.048 0.005 0.000 1.342 274 H CB 0.249 30.011 29.762 -0.001 0.000 1.389 274 H HN 0.824 nan 8.280 nan 0.000 0.511 275 E N -0.439 119.889 120.200 0.214 0.000 2.077 275 E HA -0.121 4.228 4.350 -0.001 0.000 0.193 275 E C 2.365 179.031 176.600 0.109 0.000 0.989 275 E CA 0.883 57.365 56.400 0.136 0.000 0.800 275 E CB -0.272 29.473 29.700 0.075 0.000 0.746 275 E HN 0.572 nan 8.360 nan 0.000 0.452 276 G N 0.485 109.344 108.800 0.097 0.000 2.440 276 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.218 276 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.218 276 G C 1.639 176.615 174.900 0.126 0.000 1.154 276 G CA 1.099 46.252 45.100 0.089 0.000 0.767 276 G HN 0.232 nan 8.290 nan 0.000 0.552 277 V N 0.636 120.599 119.914 0.082 0.000 2.295 277 V HA -0.166 3.953 4.120 -0.001 0.000 0.246 277 V C 2.901 179.048 176.094 0.089 0.000 1.049 277 V CA 2.009 64.335 62.300 0.043 0.000 1.024 277 V CB -0.524 31.229 31.823 -0.116 0.000 0.648 277 V HN 0.308 nan 8.190 nan 0.000 0.447 278 R N 0.166 120.731 120.500 0.109 0.000 2.091 278 R HA -0.084 4.256 4.340 -0.001 0.000 0.238 278 R C 1.922 178.282 176.300 0.100 0.000 1.136 278 R CA 1.302 57.472 56.100 0.116 0.000 0.959 278 R CB -0.234 30.154 30.300 0.148 0.000 0.856 278 R HN 0.472 nan 8.270 nan 0.000 0.437 279 R N -0.245 120.313 120.500 0.096 0.000 2.515 279 R HA 0.067 4.407 4.340 -0.001 0.000 0.294 279 R C 0.997 177.329 176.300 0.054 0.000 1.021 279 R CA -0.301 55.834 56.100 0.059 0.000 1.081 279 R CB -0.001 30.314 30.300 0.026 0.000 1.263 279 R HN 0.131 nan 8.270 nan 0.000 0.557 280 F N 2.375 122.311 119.950 -0.023 0.000 2.063 280 F HA -0.312 4.214 4.527 -0.001 0.000 0.298 280 F C 1.590 177.370 175.800 -0.034 0.000 1.109 280 F CA 1.964 59.942 58.000 -0.036 0.000 1.212 280 F CB 0.137 39.110 39.000 -0.045 0.000 0.973 280 F HN 0.039 nan 8.300 nan 0.000 0.480 281 D N 0.160 120.574 120.400 0.023 0.000 2.097 281 D HA -0.229 4.411 4.640 -0.001 0.000 0.195 281 D C 2.168 178.378 176.300 -0.150 0.000 0.989 281 D CA 1.820 55.785 54.000 -0.059 0.000 0.827 281 D CB -0.647 40.178 40.800 0.041 0.000 0.966 281 D HN 0.685 nan 8.370 nan 0.000 0.456 282 E N 0.612 120.750 120.200 -0.104 0.000 2.150 282 E HA -0.132 4.218 4.350 -0.001 0.000 0.193 282 E C 2.243 178.740 176.600 -0.172 0.000 0.985 282 E CA 0.701 57.042 56.400 -0.098 0.000 0.814 282 E CB -0.430 29.238 29.700 -0.053 0.000 0.752 282 E HN 0.271 nan 8.360 nan 0.000 0.466 283 I N 0.654 121.078 120.570 -0.243 0.000 2.202 283 I HA -0.210 3.960 4.170 -0.001 0.000 0.242 283 I C 2.508 178.413 176.117 -0.353 0.000 1.091 283 I CA 0.651 61.776 61.300 -0.292 0.000 1.368 283 I CB -0.193 37.637 38.000 -0.283 0.000 1.058 283 I HN 0.150 nan 8.210 nan 0.000 0.410 284 L N 1.180 122.075 121.223 -0.545 0.000 2.042 284 L HA -0.238 4.102 4.340 -0.001 0.000 0.210 284 L C 2.409 179.145 176.870 -0.224 0.000 1.076 284 L CA 1.992 56.557 54.840 -0.458 0.000 0.749 284 L CB -0.582 41.115 42.059 -0.604 0.000 0.893 284 L HN 0.220 nan 8.230 nan 0.000 0.432 285 E N -0.194 119.902 120.200 -0.175 0.000 2.110 285 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 285 E C 1.969 178.538 176.600 -0.051 0.000 0.988 285 E CA 1.471 57.822 56.400 -0.082 0.000 0.804 285 E CB -0.273 29.396 29.700 -0.052 0.000 0.745 285 E HN 0.548 nan 8.360 nan 0.000 0.458 286 A N -0.235 122.537 122.820 -0.079 0.000 2.123 286 A HA 0.163 4.482 4.320 -0.001 0.000 0.214 286 A C 1.210 178.760 177.584 -0.056 0.000 1.152 286 A CA 0.507 52.518 52.037 -0.044 0.000 0.728 286 A CB 0.049 18.922 19.000 -0.212 0.000 0.814 286 A HN 0.210 nan 8.150 nan 0.000 0.464 287 S N -0.105 115.538 115.700 -0.096 0.000 2.713 287 S HA 0.329 4.798 4.470 -0.001 0.000 0.283 287 S C -0.060 174.509 174.600 -0.051 0.000 1.161 287 S CA -0.543 57.610 58.200 -0.079 0.000 0.999 287 S CB 0.995 64.127 63.200 -0.115 0.000 1.039 287 S HN 0.375 nan 8.310 nan 0.000 0.548 288 D N 0.271 120.650 120.400 -0.034 0.000 2.354 288 D HA 0.282 4.922 4.640 -0.001 0.000 0.209 288 D C 0.767 177.035 176.300 -0.053 0.000 1.015 288 D CA 0.467 54.454 54.000 -0.022 0.000 0.867 288 D CB 0.533 41.334 40.800 0.001 0.000 0.933 288 D HN 0.634 nan 8.370 nan 0.000 0.520 289 G N -0.017 108.741 108.800 -0.070 0.000 2.441 289 G HA2 0.428 4.387 3.960 -0.001 0.000 0.294 289 G HA3 0.428 4.387 3.960 -0.001 0.000 0.294 289 G C -1.897 172.951 174.900 -0.086 0.000 1.393 289 G CA -0.600 44.444 45.100 -0.093 0.000 0.796 289 G HN -0.079 nan 8.290 nan 0.000 0.494 290 I N 0.557 121.078 120.570 -0.082 0.000 2.647 290 I HA 0.527 4.697 4.170 -0.001 0.000 0.295 290 I C -0.408 175.641 176.117 -0.113 0.000 1.078 290 I CA -0.689 60.580 61.300 -0.052 0.000 1.048 290 I CB 1.993 40.045 38.000 0.087 0.000 1.239 290 I HN 0.662 nan 8.210 nan 0.000 0.421 291 M N 5.767 125.284 119.600 -0.139 0.000 2.227 291 M HA 0.437 4.916 4.480 -0.001 0.000 0.335 291 M C -1.236 174.990 176.300 -0.122 0.000 1.053 291 M CA -0.710 54.472 55.300 -0.198 0.000 0.973 291 M CB 1.566 33.974 32.600 -0.321 0.000 1.623 291 M HN 0.275 nan 8.290 nan 0.000 0.434 292 V N 5.350 125.196 119.914 -0.114 0.000 2.352 292 V HA 0.224 4.343 4.120 -0.001 0.000 0.253 292 V C 0.586 176.615 176.094 -0.108 0.000 1.083 292 V CA -0.276 61.966 62.300 -0.097 0.000 0.993 292 V CB -0.157 31.609 31.823 -0.094 0.000 1.111 292 V HN 0.864 nan 8.190 nan 0.000 0.490 293 A N 5.736 128.489 122.820 -0.113 0.000 3.015 293 A HA 0.348 4.668 4.320 -0.001 0.000 0.293 293 A C 1.386 178.913 177.584 -0.095 0.000 1.572 293 A CA -0.404 51.558 52.037 -0.125 0.000 1.274 293 A CB -0.336 18.559 19.000 -0.174 0.000 1.156 293 A HN 0.821 nan 8.150 nan 0.000 0.562 294 R N 1.160 121.617 120.500 -0.073 0.000 2.237 294 R HA -0.078 4.262 4.340 -0.001 0.000 0.219 294 R C 2.107 178.383 176.300 -0.040 0.000 1.080 294 R CA 1.046 57.113 56.100 -0.054 0.000 0.995 294 R CB 0.115 30.390 30.300 -0.041 0.000 0.875 294 R HN 0.703 nan 8.270 nan 0.000 0.462 295 G N 1.221 110.000 108.800 -0.036 0.000 2.505 295 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.214 295 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.214 295 G C 0.963 175.859 174.900 -0.007 0.000 1.237 295 G CA 0.649 45.741 45.100 -0.014 0.000 0.802 295 G HN 0.172 nan 8.290 nan 0.000 0.549 296 D N 0.149 120.548 120.400 -0.003 0.000 2.149 296 D HA -0.104 4.535 4.640 -0.001 0.000 0.198 296 D C 2.474 178.784 176.300 0.016 0.000 0.990 296 D CA 0.769 54.795 54.000 0.043 0.000 0.839 296 D CB -0.058 40.809 40.800 0.112 0.000 0.948 296 D HN 0.152 nan 8.370 nan 0.000 0.460 297 L N 1.129 122.339 121.223 -0.021 0.000 2.042 297 L HA -0.075 4.264 4.340 -0.001 0.000 0.210 297 L C 2.190 179.029 176.870 -0.052 0.000 1.076 297 L CA 1.974 56.791 54.840 -0.037 0.000 0.749 297 L CB -0.861 41.160 42.059 -0.063 0.000 0.893 297 L HN -0.002 nan 8.230 nan 0.000 0.432 298 G N -1.488 107.282 108.800 -0.050 0.000 2.848 298 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.208 298 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.208 298 G C 1.347 176.194 174.900 -0.088 0.000 1.152 298 G CA 0.700 45.765 45.100 -0.058 0.000 0.789 298 G HN 0.509 nan 8.290 nan 0.000 0.531 299 I N -0.655 119.857 120.570 -0.097 0.000 3.039 299 I HA 0.103 4.273 4.170 -0.001 0.000 0.270 299 I C 2.264 178.265 176.117 -0.192 0.000 1.150 299 I CA 0.211 61.398 61.300 -0.188 0.000 1.448 299 I CB 0.068 37.991 38.000 -0.129 0.000 1.197 299 I HN -0.051 nan 8.210 nan 0.000 0.450 300 E N 1.849 122.005 120.200 -0.074 0.000 2.106 300 E HA -0.008 4.342 4.350 -0.001 0.000 0.192 300 E C 0.884 177.476 176.600 -0.013 0.000 0.984 300 E CA 0.906 57.294 56.400 -0.020 0.000 0.806 300 E CB 0.141 29.865 29.700 0.041 0.000 0.750 300 E HN 0.543 nan 8.360 nan 0.000 0.458 301 I N -2.046 118.495 120.570 -0.048 0.000 2.910 301 I HA 0.477 4.647 4.170 -0.001 0.000 0.310 301 I C -2.692 173.383 176.117 -0.069 0.000 1.043 301 I CA -2.997 58.273 61.300 -0.050 0.000 1.053 301 I CB 1.947 39.872 38.000 -0.125 0.000 1.242 301 I HN -0.363 nan 8.210 nan 0.000 0.452 302 P HA 0.060 nan 4.420 nan 0.000 0.265 302 P C 0.348 177.624 177.300 -0.039 0.000 1.193 302 P CA 0.186 63.262 63.100 -0.040 0.000 0.765 302 P CB 1.025 32.716 31.700 -0.015 0.000 0.823 303 A N 4.574 127.376 122.820 -0.030 0.000 1.978 303 A HA -0.202 4.117 4.320 -0.001 0.000 0.220 303 A C 1.747 179.350 177.584 0.032 0.000 1.170 303 A CA 1.497 53.528 52.037 -0.011 0.000 0.636 303 A CB -0.862 18.133 19.000 -0.008 0.000 0.810 303 A HN 0.667 nan 8.150 nan 0.000 0.448 304 E N 0.383 120.612 120.200 0.049 0.000 2.478 304 E HA -0.131 4.219 4.350 -0.001 0.000 0.198 304 E C 1.141 177.830 176.600 0.149 0.000 1.046 304 E CA 1.067 57.541 56.400 0.123 0.000 0.870 304 E CB -0.229 29.532 29.700 0.102 0.000 0.818 304 E HN 0.647 nan 8.360 nan 0.000 0.527 305 K N 0.584 120.980 120.400 -0.007 0.000 2.367 305 K HA 0.130 4.449 4.320 -0.001 0.000 0.194 305 K C 1.941 178.385 176.600 -0.260 0.000 1.027 305 K CA 0.213 56.393 56.287 -0.179 0.000 1.075 305 K CB 0.578 32.980 32.500 -0.164 0.000 0.845 305 K HN -0.067 nan 8.250 nan 0.000 0.529 306 V N 1.953 121.804 119.914 -0.105 0.000 2.332 306 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 306 V C 2.083 178.112 176.094 -0.107 0.000 1.055 306 V CA 1.995 64.237 62.300 -0.097 0.000 1.038 306 V CB -0.711 31.096 31.823 -0.026 0.000 0.651 306 V HN 0.360 nan 8.190 nan 0.000 0.450 307 F N 0.016 119.923 119.950 -0.071 0.000 2.202 307 F HA -0.130 4.396 4.527 -0.001 0.000 0.301 307 F C 1.955 177.704 175.800 -0.084 0.000 1.082 307 F CA 1.445 59.403 58.000 -0.071 0.000 1.313 307 F CB -1.014 37.952 39.000 -0.056 0.000 1.024 307 F HN 0.074 nan 8.300 nan 0.000 0.495 308 L N 0.937 121.483 121.223 -1.128 0.000 2.017 308 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 308 L C 3.053 179.681 176.870 -0.404 0.000 1.073 308 L CA 1.289 55.662 54.840 -0.779 0.000 0.745 308 L CB -1.186 40.421 42.059 -0.754 0.000 0.894 308 L HN 0.345 nan 8.230 nan 0.000 0.432 309 A N -0.580 122.028 122.820 -0.353 0.000 1.933 309 A HA -0.279 4.040 4.320 -0.001 0.000 0.218 309 A C 2.272 179.701 177.584 -0.258 0.000 1.175 309 A CA 1.870 53.734 52.037 -0.288 0.000 0.628 309 A CB -0.593 18.256 19.000 -0.252 0.000 0.814 309 A HN 0.527 nan 8.150 nan 0.000 0.444 310 Q N -0.211 119.474 119.800 -0.192 0.000 2.050 310 Q HA -0.209 4.130 4.340 -0.001 0.000 0.202 310 Q C 1.941 177.859 176.000 -0.137 0.000 0.980 310 Q CA 1.956 57.676 55.803 -0.138 0.000 0.840 310 Q CB -0.140 28.559 28.738 -0.065 0.000 0.898 310 Q HN 0.658 nan 8.270 nan 0.000 0.424 311 K N -0.024 120.305 120.400 -0.118 0.000 2.097 311 K HA -0.102 4.217 4.320 -0.001 0.000 0.205 311 K C 2.202 178.713 176.600 -0.148 0.000 1.050 311 K CA 1.241 57.471 56.287 -0.095 0.000 0.938 311 K CB -0.188 32.289 32.500 -0.038 0.000 0.718 311 K HN 0.295 nan 8.250 nan 0.000 0.442 312 M N 0.850 120.326 119.600 -0.208 0.000 2.065 312 M HA -0.205 4.274 4.480 -0.001 0.000 0.259 312 M C 1.942 178.035 176.300 -0.346 0.000 1.069 312 M CA 1.877 57.025 55.300 -0.254 0.000 1.110 312 M CB -0.297 32.127 32.600 -0.293 0.000 1.328 312 M HN 0.216 nan 8.290 nan 0.000 0.405 313 M N -0.265 119.060 119.600 -0.458 0.000 2.117 313 M HA -0.210 4.270 4.480 -0.001 0.000 0.262 313 M C 2.168 178.329 176.300 -0.232 0.000 1.065 313 M CA 1.512 56.452 55.300 -0.600 0.000 1.114 313 M CB -0.490 31.790 32.600 -0.534 0.000 1.361 313 M HN 0.286 nan 8.290 nan 0.000 0.408 314 I N -0.216 120.260 120.570 -0.157 0.000 2.179 314 I HA -0.207 3.963 4.170 -0.001 0.000 0.242 314 I C 2.616 178.698 176.117 -0.059 0.000 1.088 314 I CA 1.466 62.718 61.300 -0.080 0.000 1.357 314 I CB -1.059 36.900 38.000 -0.068 0.000 1.051 314 I HN 0.363 nan 8.210 nan 0.000 0.409 315 G N 0.911 109.665 108.800 -0.077 0.000 2.491 315 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.218 315 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.218 315 G C 1.779 176.662 174.900 -0.027 0.000 1.180 315 G CA 0.621 45.688 45.100 -0.054 0.000 0.774 315 G HN 0.298 nan 8.290 nan 0.000 0.562 316 R N -0.566 119.915 120.500 -0.032 0.000 2.105 316 R HA -0.088 4.251 4.340 -0.001 0.000 0.239 316 R C 2.686 179.052 176.300 0.109 0.000 1.135 316 R CA 1.377 57.516 56.100 0.064 0.000 0.967 316 R CB -0.752 29.643 30.300 0.159 0.000 0.861 316 R HN 0.414 nan 8.270 nan 0.000 0.442 317 C N 0.387 119.750 119.300 0.105 0.000 2.440 317 C HA -0.026 4.434 4.460 -0.001 0.000 0.278 317 C C 2.199 177.205 174.990 0.027 0.000 1.295 317 C CA 0.573 59.638 59.018 0.079 0.000 1.738 317 C CB -1.189 26.591 27.740 0.066 0.000 1.987 317 C HN 0.566 nan 8.230 nan 0.000 0.492 318 N N 0.206 118.913 118.700 0.011 0.000 2.120 318 N HA -0.163 4.576 4.740 -0.001 0.000 0.188 318 N C 2.049 177.558 175.510 -0.003 0.000 1.024 318 N CA 0.765 53.816 53.050 0.003 0.000 0.852 318 N CB -0.226 38.262 38.487 0.001 0.000 1.003 318 N HN 0.506 nan 8.380 nan 0.000 0.424 319 R N 1.104 121.605 120.500 0.003 0.000 2.081 319 R HA -0.044 4.295 4.340 -0.001 0.000 0.235 319 R C 1.833 178.133 176.300 0.001 0.000 1.131 319 R CA 1.410 57.510 56.100 0.001 0.000 0.960 319 R CB -0.090 30.216 30.300 0.010 0.000 0.856 319 R HN 0.143 nan 8.270 nan 0.000 0.436 320 A N -0.386 122.443 122.820 0.015 0.000 2.208 320 A HA 0.194 4.513 4.320 -0.001 0.000 0.209 320 A C 1.328 178.917 177.584 0.008 0.000 1.161 320 A CA 0.727 52.772 52.037 0.013 0.000 0.782 320 A CB -0.172 18.841 19.000 0.021 0.000 0.816 320 A HN 0.585 nan 8.150 nan 0.000 0.477 321 G N -0.551 108.251 108.800 0.003 0.000 2.198 321 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.260 321 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.260 321 G C 0.054 174.994 174.900 0.067 0.000 1.025 321 G CA 0.725 45.838 45.100 0.022 0.000 0.769 321 G HN 0.578 nan 8.290 nan 0.000 0.507 322 K N 0.500 120.911 120.400 0.019 0.000 2.182 322 K HA 0.485 4.804 4.320 -0.001 0.000 0.262 322 K C -2.419 174.111 176.600 -0.116 0.000 0.957 322 K CA -2.284 53.987 56.287 -0.027 0.000 0.842 322 K CB 1.876 34.359 32.500 -0.029 0.000 1.099 322 K HN -0.045 nan 8.250 nan 0.000 0.438 323 P HA -0.076 nan 4.420 nan 0.000 0.265 323 P C -1.111 176.077 177.300 -0.186 0.000 1.187 323 P CA -0.222 62.668 63.100 -0.350 0.000 0.766 323 P CB 0.609 31.974 31.700 -0.558 0.000 0.820 324 V N 4.771 124.594 119.914 -0.151 0.000 2.760 324 V HA 0.523 4.642 4.120 -0.001 0.000 0.309 324 V C -0.963 175.058 176.094 -0.123 0.000 1.077 324 V CA -0.827 61.408 62.300 -0.108 0.000 0.910 324 V CB 1.572 33.361 31.823 -0.056 0.000 1.008 324 V HN 0.294 nan 8.190 nan 0.000 0.424 325 I N 5.956 126.437 120.570 -0.149 0.000 2.404 325 I HA 0.474 4.643 4.170 -0.001 0.000 0.293 325 I C -0.286 175.749 176.117 -0.136 0.000 0.992 325 I CA -0.419 60.783 61.300 -0.164 0.000 1.149 325 I CB 1.701 39.534 38.000 -0.278 0.000 1.315 325 I HN 0.649 nan 8.210 nan 0.000 0.446 326 C N 6.232 125.472 119.300 -0.100 0.000 2.319 326 C HA 0.894 5.353 4.460 -0.001 0.000 0.335 326 C C 0.249 175.192 174.990 -0.078 0.000 1.274 326 C CA -0.067 58.903 59.018 -0.080 0.000 1.806 326 C CB -0.243 27.466 27.740 -0.051 0.000 2.329 326 C HN 0.876 nan 8.230 nan 0.000 0.524 327 A N 4.363 127.136 122.820 -0.078 0.000 2.475 327 A HA 0.912 5.231 4.320 -0.001 0.000 0.301 327 A C -0.276 177.282 177.584 -0.044 0.000 1.059 327 A CA -0.167 51.829 52.037 -0.068 0.000 0.710 327 A CB 1.177 20.114 19.000 -0.105 0.000 1.288 327 A HN 1.407 nan 8.150 nan 0.000 0.408 328 T N 1.563 116.103 114.554 -0.023 0.000 0.679 328 T HA -0.061 4.289 4.350 -0.001 0.000 0.761 328 T C -0.000 174.699 174.700 -0.000 0.000 0.989 328 T CA 0.537 62.632 62.100 -0.009 0.000 4.013 328 T CB -1.339 67.518 68.868 -0.018 0.000 2.270 328 T HN 1.550 nan 8.240 nan 0.000 0.397 329 Q N 0.167 119.974 119.800 0.011 0.000 2.489 329 Q HA -0.250 4.090 4.340 -0.001 0.000 0.259 329 Q C 1.515 177.521 176.000 0.011 0.000 0.934 329 Q CA 1.477 57.289 55.803 0.014 0.000 1.131 329 Q CB -1.177 27.569 28.738 0.013 0.000 1.472 329 Q HN 0.855 nan 8.270 nan 0.000 0.560 330 M N -0.503 119.102 119.600 0.010 0.000 2.175 330 M HA -0.094 4.386 4.480 -0.001 0.000 0.264 330 M C 1.091 177.398 176.300 0.011 0.000 1.063 330 M CA 1.512 56.816 55.300 0.007 0.000 1.119 330 M CB 0.130 32.733 32.600 0.006 0.000 1.377 330 M HN 0.228 nan 8.290 nan 0.000 0.415 331 L N -0.570 120.664 121.223 0.018 0.000 3.059 331 L HA 0.197 4.536 4.340 -0.001 0.000 0.298 331 L C 1.086 177.971 176.870 0.024 0.000 1.304 331 L CA -0.387 54.464 54.840 0.018 0.000 0.855 331 L CB 0.346 42.419 42.059 0.022 0.000 1.266 331 L HN 0.004 nan 8.230 nan 0.000 0.572 332 E N 1.383 121.597 120.200 0.023 0.000 2.070 332 E HA -0.246 4.104 4.350 -0.001 0.000 0.197 332 E C 2.189 178.808 176.600 0.033 0.000 1.004 332 E CA 2.173 58.591 56.400 0.029 0.000 0.805 332 E CB 0.165 29.880 29.700 0.025 0.000 0.744 332 E HN 0.524 nan 8.360 nan 0.000 0.451 333 S N -0.439 115.274 115.700 0.022 0.000 2.440 333 S HA -0.180 4.290 4.470 -0.001 0.000 0.238 333 S C 1.838 176.453 174.600 0.025 0.000 1.010 333 S CA 1.319 59.531 58.200 0.019 0.000 0.972 333 S CB -0.395 62.806 63.200 0.003 0.000 0.774 333 S HN 0.318 nan 8.310 nan 0.000 0.501 334 M N 0.549 120.166 119.600 0.028 0.000 2.659 334 M HA 0.237 4.717 4.480 -0.001 0.000 0.243 334 M C 1.444 177.823 176.300 0.131 0.000 1.111 334 M CA 0.386 55.711 55.300 0.041 0.000 1.070 334 M CB -0.545 32.071 32.600 0.028 0.000 1.525 334 M HN 0.334 nan 8.290 nan 0.000 0.517 335 I N -0.020 120.615 120.570 0.108 0.000 2.208 335 I HA -0.315 3.854 4.170 -0.001 0.000 0.245 335 I C 2.255 178.475 176.117 0.171 0.000 1.097 335 I CA 1.416 62.788 61.300 0.119 0.000 1.363 335 I CB -0.243 37.803 38.000 0.076 0.000 1.051 335 I HN 0.162 nan 8.210 nan 0.000 0.413 336 K N -0.722 119.774 120.400 0.160 0.000 2.370 336 K HA 0.162 4.482 4.320 -0.001 0.000 0.194 336 K C 0.426 177.170 176.600 0.240 0.000 1.070 336 K CA 0.167 56.566 56.287 0.186 0.000 0.998 336 K CB 0.568 33.127 32.500 0.100 0.000 0.911 336 K HN 0.143 nan 8.250 nan 0.000 0.533 337 K N 0.630 121.067 120.400 0.062 0.000 2.328 337 K HA 0.371 4.691 4.320 -0.001 0.000 0.246 337 K C -2.560 173.638 176.600 -0.671 0.000 0.955 337 K CA -1.724 54.435 56.287 -0.213 0.000 0.817 337 K CB 1.619 34.050 32.500 -0.115 0.000 1.208 337 K HN -0.006 nan 8.250 nan 0.000 0.432 338 P HA -0.030 nan 4.420 nan 0.000 0.236 338 P C -0.160 176.910 177.300 -0.384 0.000 1.177 338 P CA 0.757 63.253 63.100 -1.006 0.000 0.773 338 P CB 0.318 31.597 31.700 -0.701 0.000 0.878 339 R N -0.464 119.884 120.500 -0.253 0.000 2.808 339 R HA 0.629 4.969 4.340 -0.001 0.000 0.272 339 R C -3.250 172.996 176.300 -0.090 0.000 0.995 339 R CA -2.299 53.724 56.100 -0.128 0.000 0.917 339 R CB 0.291 30.536 30.300 -0.091 0.000 1.217 339 R HN -0.188 nan 8.270 nan 0.000 0.471 340 P HA 0.171 nan 4.420 nan 0.000 0.283 340 P C -0.293 176.991 177.300 -0.027 0.000 1.278 340 P CA -0.301 62.779 63.100 -0.032 0.000 0.834 340 P CB 1.076 32.766 31.700 -0.018 0.000 1.150 341 T N -1.289 113.254 114.554 -0.019 0.000 2.788 341 T HA 0.207 4.556 4.350 -0.001 0.000 0.287 341 T C 1.447 176.138 174.700 -0.015 0.000 1.007 341 T CA -0.569 61.522 62.100 -0.016 0.000 1.005 341 T CB 0.413 69.274 68.868 -0.011 0.000 1.012 341 T HN 0.190 nan 8.240 nan 0.000 0.530 342 R N 0.799 121.290 120.500 -0.015 0.000 2.115 342 R HA 0.055 4.394 4.340 -0.001 0.000 0.230 342 R C 2.651 178.942 176.300 -0.015 0.000 1.111 342 R CA 1.318 57.409 56.100 -0.015 0.000 0.976 342 R CB -1.685 28.606 30.300 -0.016 0.000 0.870 342 R HN 0.844 nan 8.270 nan 0.000 0.445 343 A N 1.423 124.234 122.820 -0.015 0.000 1.933 343 A HA -0.173 4.147 4.320 -0.001 0.000 0.218 343 A C 2.027 179.604 177.584 -0.012 0.000 1.175 343 A CA 1.382 53.409 52.037 -0.016 0.000 0.628 343 A CB -0.274 18.718 19.000 -0.015 0.000 0.814 343 A HN 0.343 nan 8.150 nan 0.000 0.444 344 E N -0.671 119.524 120.200 -0.009 0.000 2.072 344 E HA -0.061 4.289 4.350 -0.001 0.000 0.191 344 E C 2.188 178.785 176.600 -0.004 0.000 0.985 344 E CA 0.692 57.089 56.400 -0.005 0.000 0.801 344 E CB -0.388 29.310 29.700 -0.003 0.000 0.750 344 E HN 0.590 nan 8.360 nan 0.000 0.452 345 G N 0.726 109.522 108.800 -0.007 0.000 2.491 345 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.218 345 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.218 345 G C 1.660 176.556 174.900 -0.006 0.000 1.180 345 G CA 1.176 46.272 45.100 -0.007 0.000 0.774 345 G HN 0.320 nan 8.290 nan 0.000 0.562 346 S N 0.355 116.049 115.700 -0.009 0.000 2.356 346 S HA -0.181 4.289 4.470 -0.001 0.000 0.223 346 S C 2.092 176.688 174.600 -0.007 0.000 1.032 346 S CA 2.029 60.223 58.200 -0.010 0.000 1.005 346 S CB -0.532 62.658 63.200 -0.017 0.000 0.867 346 S HN 0.394 nan 8.310 nan 0.000 0.449 347 D N 0.282 120.678 120.400 -0.008 0.000 2.116 347 D HA -0.108 4.531 4.640 -0.001 0.000 0.193 347 D C 1.903 178.202 176.300 -0.001 0.000 0.998 347 D CA 1.682 55.679 54.000 -0.005 0.000 0.836 347 D CB -0.375 40.422 40.800 -0.004 0.000 0.951 347 D HN 0.319 nan 8.370 nan 0.000 0.449 348 V N 0.647 120.561 119.914 0.000 0.000 2.295 348 V HA -0.197 3.922 4.120 -0.001 0.000 0.246 348 V C 2.573 178.670 176.094 0.004 0.000 1.049 348 V CA 1.814 64.116 62.300 0.003 0.000 1.024 348 V CB -1.006 30.820 31.823 0.005 0.000 0.648 348 V HN 0.337 nan 8.190 nan 0.000 0.447 349 A N 0.319 123.142 122.820 0.004 0.000 1.908 349 A HA -0.236 4.083 4.320 -0.001 0.000 0.218 349 A C 2.076 179.669 177.584 0.015 0.000 1.181 349 A CA 2.051 54.094 52.037 0.009 0.000 0.627 349 A CB -0.664 18.341 19.000 0.008 0.000 0.818 349 A HN 0.594 nan 8.150 nan 0.000 0.445 350 N N 0.140 118.847 118.700 0.011 0.000 2.331 350 N HA -0.048 4.691 4.740 -0.001 0.000 0.180 350 N C 1.870 177.386 175.510 0.010 0.000 1.019 350 N CA 1.172 54.230 53.050 0.014 0.000 0.881 350 N CB -0.364 38.127 38.487 0.006 0.000 0.972 350 N HN 0.484 nan 8.380 nan 0.000 0.435 351 A N 0.801 123.623 122.820 0.004 0.000 1.902 351 A HA -0.089 4.231 4.320 -0.001 0.000 0.217 351 A C 2.494 180.079 177.584 0.000 0.000 1.181 351 A CA 1.236 53.271 52.037 -0.002 0.000 0.623 351 A CB -0.675 18.321 19.000 -0.008 0.000 0.818 351 A HN 0.094 nan 8.150 nan 0.000 0.443 352 V N -0.021 119.898 119.914 0.008 0.000 2.307 352 V HA -0.218 3.902 4.120 -0.001 0.000 0.245 352 V C 2.528 178.634 176.094 0.019 0.000 1.045 352 V CA 1.857 64.165 62.300 0.015 0.000 1.024 352 V CB -0.715 31.120 31.823 0.020 0.000 0.651 352 V HN 0.562 nan 8.190 nan 0.000 0.449 353 L N -0.270 120.968 121.223 0.026 0.000 2.141 353 L HA -0.149 4.190 4.340 -0.001 0.000 0.209 353 L C 2.303 179.183 176.870 0.016 0.000 1.094 353 L CA 1.220 56.081 54.840 0.035 0.000 0.763 353 L CB -0.708 41.389 42.059 0.063 0.000 0.908 353 L HN 0.331 nan 8.230 nan 0.000 0.437 354 D N 0.255 120.658 120.400 0.006 0.000 2.144 354 D HA -0.110 4.530 4.640 -0.001 0.000 0.199 354 D C 1.679 177.970 176.300 -0.014 0.000 0.984 354 D CA 1.664 55.658 54.000 -0.009 0.000 0.834 354 D CB 0.048 40.840 40.800 -0.013 0.000 0.955 354 D HN 0.440 nan 8.370 nan 0.000 0.465 355 G N -0.705 108.091 108.800 -0.006 0.000 2.173 355 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.142 355 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.142 355 G C 0.305 175.201 174.900 -0.006 0.000 1.019 355 G CA 0.081 45.180 45.100 -0.002 0.000 0.699 355 G HN 0.525 nan 8.290 nan 0.000 0.495 356 A N 0.647 123.459 122.820 -0.014 0.000 2.548 356 A HA 0.449 4.769 4.320 -0.001 0.000 0.247 356 A C 1.310 178.883 177.584 -0.018 0.000 1.067 356 A CA 1.005 53.026 52.037 -0.026 0.000 0.757 356 A CB 0.192 19.175 19.000 -0.029 0.000 0.996 356 A HN 0.304 nan 8.150 nan 0.000 0.504 357 D N 1.012 121.389 120.400 -0.038 0.000 2.144 357 D HA -0.057 4.583 4.640 -0.001 0.000 0.200 357 D C 0.248 176.538 176.300 -0.016 0.000 0.978 357 D CA 1.340 55.322 54.000 -0.031 0.000 0.833 357 D CB 0.082 40.822 40.800 -0.099 0.000 0.961 357 D HN 0.565 nan 8.370 nan 0.000 0.470 358 C N 0.363 119.639 119.300 -0.040 0.000 2.889 358 C HA 0.648 5.108 4.460 -0.001 0.000 0.307 358 C C -0.086 174.882 174.990 -0.037 0.000 1.251 358 C CA -1.034 57.967 59.018 -0.028 0.000 1.593 358 C CB 2.018 29.732 27.740 -0.045 0.000 2.104 358 C HN 0.184 nan 8.230 nan 0.000 0.476 359 I N -0.008 120.550 120.570 -0.020 0.000 2.892 359 I HA 0.826 4.995 4.170 -0.001 0.000 0.306 359 I C -0.942 175.167 176.117 -0.014 0.000 1.078 359 I CA -0.870 60.418 61.300 -0.021 0.000 1.032 359 I CB 1.895 39.893 38.000 -0.003 0.000 1.229 359 I HN 0.706 nan 8.210 nan 0.000 0.435 360 M N 4.089 123.680 119.600 -0.015 0.000 2.550 360 M HA 0.627 5.107 4.480 -0.001 0.000 0.292 360 M C -2.153 174.157 176.300 0.016 0.000 1.221 360 M CA -0.680 54.620 55.300 0.000 0.000 0.873 360 M CB 2.812 35.397 32.600 -0.025 0.000 1.727 360 M HN 0.640 nan 8.290 nan 0.000 0.459 361 L N 1.882 123.126 121.223 0.036 0.000 2.365 361 L HA 0.553 4.892 4.340 -0.001 0.000 0.273 361 L C -0.253 176.652 176.870 0.058 0.000 1.000 361 L CA -0.285 54.581 54.840 0.043 0.000 0.819 361 L CB 2.210 44.298 42.059 0.047 0.000 1.284 361 L HN 0.802 nan 8.230 nan 0.000 0.418 362 S N 0.997 116.731 115.700 0.057 0.000 3.200 362 S HA 0.172 4.641 4.470 -0.001 0.000 0.173 362 S C 1.603 176.246 174.600 0.072 0.000 0.768 362 S CA 0.376 58.618 58.200 0.070 0.000 1.018 362 S CB -0.236 63.002 63.200 0.063 0.000 0.769 362 S HN 0.874 nan 8.310 nan 0.000 0.736 363 G N 1.288 110.127 108.800 0.066 0.000 2.475 363 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.220 363 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.220 363 G C 1.020 175.956 174.900 0.061 0.000 1.125 363 G CA 1.380 46.517 45.100 0.061 0.000 0.755 363 G HN 0.556 nan 8.290 nan 0.000 0.565 364 E N -0.031 120.206 120.200 0.062 0.000 2.130 364 E HA -0.119 4.230 4.350 -0.001 0.000 0.196 364 E C 2.758 179.399 176.600 0.070 0.000 0.998 364 E CA 1.913 58.354 56.400 0.069 0.000 0.806 364 E CB -0.229 29.508 29.700 0.063 0.000 0.738 364 E HN 0.637 nan 8.360 nan 0.000 0.459 365 T N -2.988 111.605 114.554 0.064 0.000 3.000 365 T HA 0.389 4.738 4.350 -0.001 0.000 0.248 365 T C 1.941 176.678 174.700 0.060 0.000 1.034 365 T CA 0.217 62.354 62.100 0.061 0.000 1.060 365 T CB 0.168 69.071 68.868 0.059 0.000 0.983 365 T HN 0.143 nan 8.240 nan 0.000 0.482 366 A N 3.249 126.109 122.820 0.067 0.000 1.872 366 A HA 0.081 4.400 4.320 -0.001 0.000 0.214 366 A C 2.180 179.796 177.584 0.054 0.000 1.187 366 A CA 1.587 53.668 52.037 0.072 0.000 0.614 366 A CB -0.321 18.730 19.000 0.086 0.000 0.826 366 A HN 0.703 nan 8.150 nan 0.000 0.442 367 K N -1.781 118.645 120.400 0.043 0.000 2.517 367 K HA 0.309 4.629 4.320 -0.001 0.000 0.210 367 K C 0.755 177.366 176.600 0.020 0.000 1.166 367 K CA 0.342 56.644 56.287 0.025 0.000 1.030 367 K CB 0.108 32.618 32.500 0.017 0.000 0.974 367 K HN 0.268 nan 8.250 nan 0.000 0.585 368 G N 0.749 109.568 108.800 0.032 0.000 2.580 368 G HA2 0.084 4.043 3.960 -0.001 0.000 0.278 368 G HA3 0.084 4.043 3.960 -0.001 0.000 0.278 368 G C -0.315 174.579 174.900 -0.010 0.000 1.212 368 G CA -0.384 44.739 45.100 0.038 0.000 0.939 368 G HN 0.074 nan 8.290 nan 0.000 0.513 369 D N -1.190 119.184 120.400 -0.043 0.000 2.347 369 D HA 0.030 4.669 4.640 -0.001 0.000 0.213 369 D C -0.115 175.843 176.300 -0.570 0.000 0.985 369 D CA 1.005 54.819 54.000 -0.310 0.000 0.879 369 D CB 0.208 40.744 40.800 -0.440 0.000 0.919 369 D HN 0.376 nan 8.370 nan 0.000 0.526 370 Y N -0.502 119.810 120.300 0.020 0.000 2.555 370 Y HA 0.212 4.762 4.550 -0.001 0.000 0.317 370 Y C -1.681 174.232 175.900 0.022 0.000 0.928 370 Y CA -1.524 56.589 58.100 0.020 0.000 1.116 370 Y CB 1.277 39.749 38.460 0.019 0.000 1.169 370 Y HN -0.082 nan 8.280 nan 0.000 0.627 371 P HA -0.150 nan 4.420 nan 0.000 0.216 371 P C 1.460 178.807 177.300 0.079 0.000 1.153 371 P CA 1.376 64.523 63.100 0.080 0.000 0.844 371 P CB 0.630 32.358 31.700 0.047 0.000 0.787 372 L N -0.550 120.718 121.223 0.074 0.000 2.083 372 L HA -0.152 4.187 4.340 -0.001 0.000 0.209 372 L C 2.527 179.443 176.870 0.076 0.000 1.083 372 L CA 1.596 56.474 54.840 0.064 0.000 0.752 372 L CB -1.025 41.067 42.059 0.056 0.000 0.899 372 L HN -0.054 nan 8.230 nan 0.000 0.433 373 E N 0.375 120.642 120.200 0.112 0.000 2.106 373 E HA -0.142 4.207 4.350 -0.001 0.000 0.192 373 E C 2.272 178.917 176.600 0.075 0.000 0.984 373 E CA 1.239 57.696 56.400 0.096 0.000 0.806 373 E CB -0.264 29.505 29.700 0.114 0.000 0.750 373 E HN 0.430 nan 8.360 nan 0.000 0.458 374 A N 0.429 123.301 122.820 0.086 0.000 1.898 374 A HA -0.127 4.192 4.320 -0.001 0.000 0.216 374 A C 2.428 180.048 177.584 0.060 0.000 1.181 374 A CA 1.230 53.307 52.037 0.067 0.000 0.620 374 A CB -0.648 18.397 19.000 0.075 0.000 0.819 374 A HN 0.143 nan 8.150 nan 0.000 0.442 375 V N 0.158 120.107 119.914 0.058 0.000 2.261 375 V HA -0.302 3.818 4.120 -0.001 0.000 0.246 375 V C 2.623 178.760 176.094 0.071 0.000 1.047 375 V CA 2.346 64.677 62.300 0.052 0.000 1.015 375 V CB -0.900 30.941 31.823 0.030 0.000 0.642 375 V HN 0.540 nan 8.190 nan 0.000 0.446 376 R N -0.696 119.844 120.500 0.066 0.000 2.091 376 R HA -0.223 4.116 4.340 -0.001 0.000 0.238 376 R C 2.262 178.637 176.300 0.126 0.000 1.136 376 R CA 2.025 58.181 56.100 0.093 0.000 0.959 376 R CB -0.508 29.832 30.300 0.068 0.000 0.856 376 R HN 0.403 nan 8.270 nan 0.000 0.437 377 M N 1.050 120.698 119.600 0.081 0.000 2.132 377 M HA -0.158 4.322 4.480 -0.001 0.000 0.263 377 M C 1.910 178.247 176.300 0.060 0.000 1.065 377 M CA 1.747 57.082 55.300 0.059 0.000 1.122 377 M CB -0.123 32.497 32.600 0.034 0.000 1.365 377 M HN 0.055 nan 8.290 nan 0.000 0.411 378 Q N -1.496 118.346 119.800 0.069 0.000 2.124 378 Q HA -0.247 4.092 4.340 -0.001 0.000 0.202 378 Q C 2.107 178.156 176.000 0.082 0.000 0.977 378 Q CA 1.938 57.778 55.803 0.061 0.000 0.850 378 Q CB -0.475 28.297 28.738 0.057 0.000 0.901 378 Q HN 0.752 nan 8.270 nan 0.000 0.429 379 H N 0.760 119.842 119.070 0.020 0.000 2.293 379 H HA -0.108 4.447 4.556 -0.001 0.000 0.300 379 H C 1.915 177.258 175.328 0.024 0.000 1.082 379 H CA 1.742 57.806 56.048 0.026 0.000 1.308 379 H CB -0.286 29.493 29.762 0.028 0.000 1.375 379 H HN 0.098 nan 8.280 nan 0.000 0.495 380 L N -0.238 120.961 121.223 -0.041 0.000 2.012 380 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 380 L C 2.659 179.474 176.870 -0.091 0.000 1.073 380 L CA 1.616 56.394 54.840 -0.103 0.000 0.748 380 L CB -0.445 41.618 42.059 0.007 0.000 0.891 380 L HN 0.369 nan 8.230 nan 0.000 0.431 381 I N -0.254 120.292 120.570 -0.039 0.000 2.179 381 I HA -0.270 3.899 4.170 -0.001 0.000 0.242 381 I C 2.832 178.928 176.117 -0.036 0.000 1.088 381 I CA 1.157 62.441 61.300 -0.027 0.000 1.357 381 I CB -0.530 37.466 38.000 -0.007 0.000 1.051 381 I HN 0.195 nan 8.210 nan 0.000 0.409 382 A N 0.816 123.612 122.820 -0.039 0.000 1.908 382 A HA -0.270 4.050 4.320 -0.001 0.000 0.218 382 A C 2.431 179.988 177.584 -0.045 0.000 1.181 382 A CA 1.988 54.009 52.037 -0.027 0.000 0.627 382 A CB -0.708 18.288 19.000 -0.007 0.000 0.818 382 A HN 0.355 nan 8.150 nan 0.000 0.445 383 R N -0.437 119.995 120.500 -0.115 0.000 2.091 383 R HA -0.152 4.187 4.340 -0.001 0.000 0.238 383 R C 2.035 178.301 176.300 -0.057 0.000 1.136 383 R CA 1.673 57.702 56.100 -0.118 0.000 0.959 383 R CB -0.184 29.972 30.300 -0.239 0.000 0.856 383 R HN 0.552 nan 8.270 nan 0.000 0.437 384 E N 0.161 120.330 120.200 -0.052 0.000 2.047 384 E HA -0.170 4.180 4.350 -0.001 0.000 0.191 384 E C 1.959 178.564 176.600 0.008 0.000 0.987 384 E CA 1.280 57.669 56.400 -0.019 0.000 0.799 384 E CB -0.288 29.399 29.700 -0.021 0.000 0.752 384 E HN 0.468 nan 8.360 nan 0.000 0.449 385 A N 1.530 124.356 122.820 0.009 0.000 1.940 385 A HA -0.238 4.081 4.320 -0.001 0.000 0.219 385 A C 2.041 179.658 177.584 0.054 0.000 1.176 385 A CA 1.736 53.792 52.037 0.031 0.000 0.631 385 A CB -0.516 18.498 19.000 0.024 0.000 0.814 385 A HN 0.217 nan 8.150 nan 0.000 0.446 386 E N -0.315 119.916 120.200 0.051 0.000 2.077 386 E HA -0.116 4.233 4.350 -0.001 0.000 0.193 386 E C 2.284 178.974 176.600 0.151 0.000 0.989 386 E CA 1.087 57.539 56.400 0.087 0.000 0.800 386 E CB -0.299 29.441 29.700 0.067 0.000 0.746 386 E HN 0.629 nan 8.360 nan 0.000 0.452 387 A N 1.108 123.999 122.820 0.117 0.000 1.972 387 A HA -0.055 4.264 4.320 -0.001 0.000 0.219 387 A C 2.263 179.960 177.584 0.187 0.000 1.169 387 A CA 1.499 53.626 52.037 0.150 0.000 0.635 387 A CB -0.428 18.620 19.000 0.080 0.000 0.810 387 A HN 0.278 nan 8.150 nan 0.000 0.446 388 A N -0.732 122.172 122.820 0.140 0.000 2.235 388 A HA 0.336 4.655 4.320 -0.001 0.000 0.208 388 A C 0.865 178.620 177.584 0.285 0.000 1.172 388 A CA -0.192 51.941 52.037 0.160 0.000 0.786 388 A CB -0.503 18.544 19.000 0.078 0.000 0.804 388 A HN 0.472 nan 8.150 nan 0.000 0.479 389 I N -0.535 120.135 120.570 0.168 0.000 2.813 389 I HA -0.093 4.077 4.170 -0.001 0.000 0.287 389 I C 0.323 176.443 176.117 0.005 0.000 1.196 389 I CA 0.049 61.355 61.300 0.010 0.000 1.421 389 I CB 0.371 38.188 38.000 -0.305 0.000 1.365 389 I HN 0.337 nan 8.210 nan 0.000 0.591 390 Y N 6.008 126.142 120.300 -0.275 0.000 2.714 390 Y HA 0.189 4.739 4.550 -0.000 0.000 0.333 390 Y C 0.949 176.726 175.900 -0.205 0.000 1.220 390 Y CA -0.644 57.191 58.100 -0.443 0.000 1.513 390 Y CB -0.443 37.695 38.460 -0.537 0.000 1.435 390 Y HN 0.509 nan 8.280 nan 0.000 0.489 391 H N 2.030 121.038 119.070 -0.103 0.000 2.423 391 H HA -0.143 4.412 4.556 -0.001 0.000 0.297 391 H C 1.945 177.056 175.328 -0.362 0.000 1.075 391 H CA 1.751 57.714 56.048 -0.142 0.000 1.342 391 H CB 0.198 29.922 29.762 -0.064 0.000 1.395 391 H HN 0.598 nan 8.280 nan 0.000 0.530 392 L N 0.812 121.783 121.223 -0.420 0.000 1.997 392 L HA -0.293 4.046 4.340 -0.001 0.000 0.216 392 L C 2.367 178.961 176.870 -0.460 0.000 1.074 392 L CA 2.020 56.564 54.840 -0.493 0.000 0.763 392 L CB -0.528 41.209 42.059 -0.538 0.000 0.890 392 L HN 0.340 nan 8.230 nan 0.000 0.434 393 Q N -1.542 117.831 119.800 -0.713 0.000 2.096 393 Q HA -0.168 4.171 4.340 -0.001 0.000 0.197 393 Q C 2.237 178.141 176.000 -0.160 0.000 0.964 393 Q CA 1.294 56.882 55.803 -0.358 0.000 0.838 393 Q CB -0.204 28.387 28.738 -0.244 0.000 0.906 393 Q HN 0.491 nan 8.270 nan 0.000 0.444 394 L N 0.509 121.655 121.223 -0.129 0.000 1.990 394 L HA -0.191 4.148 4.340 -0.001 0.000 0.213 394 L C 2.042 178.976 176.870 0.107 0.000 1.072 394 L CA 2.047 56.886 54.840 -0.003 0.000 0.755 394 L CB -0.967 41.095 42.059 0.006 0.000 0.889 394 L HN 0.426 nan 8.230 nan 0.000 0.432 395 F N 0.221 120.159 119.950 -0.019 0.000 2.186 395 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 395 F C 2.447 178.265 175.800 0.029 0.000 1.090 395 F CA 1.876 59.918 58.000 0.070 0.000 1.307 395 F CB -0.399 38.637 39.000 0.060 0.000 1.019 395 F HN 0.269 nan 8.300 nan 0.000 0.489 396 E N 0.760 120.885 120.200 -0.125 0.000 2.058 396 E HA -0.268 4.082 4.350 -0.001 0.000 0.194 396 E C 1.823 178.329 176.600 -0.157 0.000 0.997 396 E CA 1.794 58.069 56.400 -0.209 0.000 0.801 396 E CB -1.017 28.601 29.700 -0.137 0.000 0.746 396 E HN 0.728 nan 8.360 nan 0.000 0.450 397 E N -0.227 119.923 120.200 -0.084 0.000 2.107 397 E HA 0.015 4.365 4.350 -0.001 0.000 0.191 397 E C 2.368 178.951 176.600 -0.028 0.000 0.982 397 E CA 0.791 57.160 56.400 -0.051 0.000 0.809 397 E CB -0.105 29.574 29.700 -0.034 0.000 0.756 397 E HN 0.477 nan 8.360 nan 0.000 0.459 398 L N 0.495 121.722 121.223 0.006 0.000 2.093 398 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 398 L C 2.535 179.457 176.870 0.088 0.000 1.085 398 L CA 1.160 56.041 54.840 0.068 0.000 0.755 398 L CB -0.215 41.953 42.059 0.182 0.000 0.904 398 L HN 0.030 nan 8.230 nan 0.000 0.435 399 R N -1.080 119.401 120.500 -0.033 0.000 2.090 399 R HA -0.093 4.246 4.340 -0.001 0.000 0.228 399 R C 2.645 178.914 176.300 -0.051 0.000 1.110 399 R CA 0.890 56.944 56.100 -0.077 0.000 0.973 399 R CB -0.192 29.867 30.300 -0.401 0.000 0.869 399 R HN 0.117 nan 8.270 nan 0.000 0.440 400 R N -0.099 120.358 120.500 -0.071 0.000 2.066 400 R HA 0.001 4.340 4.340 -0.001 0.000 0.232 400 R C 2.545 178.837 176.300 -0.014 0.000 1.131 400 R CA 1.487 57.560 56.100 -0.045 0.000 0.955 400 R CB -1.599 28.671 30.300 -0.051 0.000 0.851 400 R HN 0.391 nan 8.270 nan 0.000 0.432 401 L N 0.012 121.232 121.223 -0.005 0.000 2.395 401 L HA 0.593 4.932 4.340 -0.001 0.000 0.218 401 L C 1.714 178.594 176.870 0.018 0.000 1.130 401 L CA 1.278 56.120 54.840 0.003 0.000 0.826 401 L CB -1.720 40.339 42.059 -0.001 0.000 0.941 401 L HN 0.518 nan 8.230 nan 0.000 0.451 402 A N 0.241 123.086 122.820 0.041 0.000 2.366 402 A HA 0.558 4.877 4.320 -0.001 0.000 0.250 402 A C -2.025 175.591 177.584 0.053 0.000 1.099 402 A CA -0.454 51.623 52.037 0.067 0.000 0.794 402 A CB -0.538 18.563 19.000 0.168 0.000 1.056 402 A HN 0.439 nan 8.150 nan 0.000 0.499 403 P HA 0.515 nan 4.420 nan 0.000 0.296 403 P C -0.249 177.081 177.300 0.050 0.000 1.301 403 P CA -0.251 62.876 63.100 0.044 0.000 0.862 403 P CB 1.019 32.741 31.700 0.036 0.000 1.046 404 I N 2.089 122.678 120.570 0.032 0.000 2.587 404 I HA 0.407 4.576 4.170 -0.001 0.000 0.284 404 I C 0.842 176.978 176.117 0.031 0.000 1.134 404 I CA 0.348 61.664 61.300 0.028 0.000 1.410 404 I CB -1.135 36.874 38.000 0.015 0.000 1.392 404 I HN 0.552 nan 8.210 nan 0.000 0.545 405 T N 1.518 116.094 114.554 0.037 0.000 2.896 405 T HA 0.710 5.060 4.350 -0.001 0.000 0.297 405 T C 0.862 175.584 174.700 0.035 0.000 1.108 405 T CA 0.127 62.250 62.100 0.038 0.000 1.004 405 T CB 1.104 70.001 68.868 0.050 0.000 1.159 405 T HN 1.538 nan 8.240 nan 0.000 0.499 406 S N -0.381 115.339 115.700 0.033 0.000 2.603 406 S HA 0.213 4.683 4.470 -0.001 0.000 0.220 406 S C 0.643 175.267 174.600 0.040 0.000 0.967 406 S CA -0.080 58.139 58.200 0.032 0.000 0.920 406 S CB -0.463 62.753 63.200 0.026 0.000 0.773 406 S HN 0.782 nan 8.310 nan 0.000 0.529 407 D N 2.115 122.543 120.400 0.046 0.000 2.338 407 D HA 0.210 4.850 4.640 -0.001 0.000 0.255 407 D C -1.363 174.975 176.300 0.062 0.000 1.237 407 D CA -2.202 51.830 54.000 0.054 0.000 0.883 407 D CB 1.451 42.284 40.800 0.055 0.000 1.087 407 D HN 0.049 nan 8.370 nan 0.000 0.485 408 P HA -0.133 nan 4.420 nan 0.000 0.221 408 P C 1.179 178.532 177.300 0.088 0.000 1.150 408 P CA 1.089 64.236 63.100 0.079 0.000 0.800 408 P CB -0.076 31.683 31.700 0.098 0.000 0.787 409 T N -2.793 111.814 114.554 0.088 0.000 2.857 409 T HA -0.080 4.270 4.350 -0.001 0.000 0.266 409 T C 1.810 176.562 174.700 0.088 0.000 1.048 409 T CA 0.835 62.985 62.100 0.084 0.000 1.139 409 T CB -0.638 68.266 68.868 0.060 0.000 0.874 409 T HN -0.041 nan 8.240 nan 0.000 0.455 410 E N 1.777 122.034 120.200 0.096 0.000 2.051 410 E HA 0.011 4.360 4.350 -0.001 0.000 0.192 410 E C 2.645 179.306 176.600 0.102 0.000 0.991 410 E CA 1.403 57.884 56.400 0.135 0.000 0.799 410 E CB -0.798 28.983 29.700 0.136 0.000 0.748 410 E HN 0.660 nan 8.360 nan 0.000 0.449 411 A N 0.485 123.347 122.820 0.069 0.000 1.908 411 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 411 A C 2.433 180.035 177.584 0.029 0.000 1.181 411 A CA 2.227 54.286 52.037 0.037 0.000 0.627 411 A CB -0.853 18.169 19.000 0.037 0.000 0.818 411 A HN 0.271 nan 8.150 nan 0.000 0.445 412 T N 0.069 114.652 114.554 0.049 0.000 2.857 412 T HA 0.096 4.445 4.350 -0.001 0.000 0.266 412 T C 2.194 176.916 174.700 0.037 0.000 1.048 412 T CA 1.277 63.405 62.100 0.047 0.000 1.139 412 T CB -0.353 68.556 68.868 0.069 0.000 0.874 412 T HN 0.587 nan 8.240 nan 0.000 0.455 413 A N 0.927 123.782 122.820 0.059 0.000 1.855 413 A HA -0.016 4.304 4.320 -0.001 0.000 0.215 413 A C 2.548 180.139 177.584 0.011 0.000 1.191 413 A CA 1.272 53.358 52.037 0.081 0.000 0.613 413 A CB -1.176 17.931 19.000 0.179 0.000 0.829 413 A HN 0.316 nan 8.150 nan 0.000 0.442 414 V N 0.071 119.918 119.914 -0.112 0.000 2.490 414 V HA -0.114 4.005 4.120 -0.001 0.000 0.250 414 V C 2.462 178.515 176.094 -0.068 0.000 1.061 414 V CA 2.257 64.364 62.300 -0.322 0.000 1.064 414 V CB -0.795 30.697 31.823 -0.551 0.000 0.670 414 V HN 0.587 nan 8.190 nan 0.000 0.461 415 G N -0.965 107.816 108.800 -0.031 0.000 2.408 415 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.217 415 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.217 415 G C 1.736 176.629 174.900 -0.013 0.000 1.150 415 G CA 0.885 45.986 45.100 0.002 0.000 0.776 415 G HN 0.675 nan 8.290 nan 0.000 0.542 416 A N 0.130 122.935 122.820 -0.026 0.000 1.930 416 A HA 0.124 4.443 4.320 -0.001 0.000 0.217 416 A C 2.577 180.091 177.584 -0.116 0.000 1.175 416 A CA 1.716 53.722 52.037 -0.051 0.000 0.627 416 A CB -0.468 18.513 19.000 -0.031 0.000 0.815 416 A HN 0.238 nan 8.150 nan 0.000 0.443 417 V N 0.017 119.850 119.914 -0.135 0.000 2.307 417 V HA -0.201 3.918 4.120 -0.001 0.000 0.245 417 V C 2.607 178.479 176.094 -0.371 0.000 1.045 417 V CA 2.272 64.384 62.300 -0.313 0.000 1.024 417 V CB -0.690 30.974 31.823 -0.266 0.000 0.651 417 V HN 0.682 nan 8.190 nan 0.000 0.449 418 E N 1.327 121.468 120.200 -0.099 0.000 2.038 418 E HA -0.226 4.123 4.350 -0.001 0.000 0.195 418 E C 2.136 178.745 176.600 0.014 0.000 1.000 418 E CA 2.031 58.478 56.400 0.079 0.000 0.803 418 E CB -0.675 29.160 29.700 0.225 0.000 0.750 418 E HN 0.472 nan 8.360 nan 0.000 0.448 419 A N 0.338 123.140 122.820 -0.030 0.000 1.940 419 A HA -0.222 4.097 4.320 -0.001 0.000 0.219 419 A C 2.430 179.957 177.584 -0.096 0.000 1.176 419 A CA 2.674 54.685 52.037 -0.042 0.000 0.631 419 A CB -1.134 17.841 19.000 -0.042 0.000 0.814 419 A HN 0.472 nan 8.150 nan 0.000 0.446 420 S N -0.994 114.583 115.700 -0.205 0.000 2.382 420 S HA -0.150 4.320 4.470 -0.001 0.000 0.228 420 S C 1.702 176.123 174.600 -0.298 0.000 1.027 420 S CA 1.496 59.519 58.200 -0.295 0.000 0.991 420 S CB -0.747 62.189 63.200 -0.440 0.000 0.823 420 S HN 0.346 nan 8.310 nan 0.000 0.469 421 F N 2.314 122.157 119.950 -0.178 0.000 2.146 421 F HA 0.189 4.715 4.527 -0.002 0.000 0.298 421 F C 2.552 178.300 175.800 -0.088 0.000 1.096 421 F CA 1.118 59.024 58.000 -0.157 0.000 1.275 421 F CB -0.743 38.139 39.000 -0.196 0.000 1.008 421 F HN 0.204 nan 8.300 nan 0.000 0.480 422 K N 0.795 121.258 120.400 0.105 0.000 2.057 422 K HA -0.160 4.160 4.320 -0.001 0.000 0.207 422 K C 1.876 178.493 176.600 0.029 0.000 1.049 422 K CA 1.899 58.224 56.287 0.062 0.000 0.931 422 K CB -0.720 31.806 32.500 0.043 0.000 0.714 422 K HN 0.408 nan 8.250 nan 0.000 0.440 423 C N -1.813 117.486 119.300 -0.002 0.000 2.855 423 C HA 0.416 4.876 4.460 -0.001 0.000 0.279 423 C C 0.779 175.755 174.990 -0.023 0.000 1.270 423 C CA -0.806 58.202 59.018 -0.016 0.000 1.702 423 C CB -1.921 25.799 27.740 -0.034 0.000 1.949 423 C HN 0.528 nan 8.230 nan 0.000 0.618 424 C N 3.876 123.166 119.300 -0.017 0.000 3.563 424 C HA -0.100 4.360 4.460 -0.001 0.000 0.284 424 C C 1.048 176.003 174.990 -0.059 0.000 1.356 424 C CA 0.765 59.766 59.018 -0.027 0.000 2.166 424 C CB -3.031 24.712 27.740 0.006 0.000 1.399 424 C HN 1.066 nan 8.230 nan 0.000 0.583 425 S N 1.172 116.811 115.700 -0.102 0.000 2.573 425 S HA 0.434 4.903 4.470 -0.001 0.000 0.277 425 S C 1.499 176.050 174.600 -0.081 0.000 1.346 425 S CA 0.332 58.467 58.200 -0.108 0.000 1.034 425 S CB 1.579 64.696 63.200 -0.139 0.000 0.879 425 S HN 1.455 nan 8.310 nan 0.000 0.528 426 G N 1.253 110.010 108.800 -0.071 0.000 2.448 426 G HA2 0.374 4.334 3.960 -0.001 0.000 0.219 426 G HA3 0.374 4.334 3.960 -0.001 0.000 0.219 426 G C 0.419 175.405 174.900 0.143 0.000 1.127 426 G CA 0.525 45.666 45.100 0.068 0.000 0.766 426 G HN 1.533 nan 8.290 nan 0.000 0.552 427 A N -1.351 121.465 122.820 -0.007 0.000 2.583 427 A HA 0.602 4.922 4.320 -0.001 0.000 0.292 427 A C -1.533 176.022 177.584 -0.049 0.000 1.045 427 A CA -0.754 51.310 52.037 0.044 0.000 0.672 427 A CB 0.474 19.649 19.000 0.291 0.000 1.283 427 A HN 0.158 nan 8.150 nan 0.000 0.419 428 I N 1.825 122.374 120.570 -0.035 0.000 2.328 428 I HA 0.339 4.508 4.170 -0.001 0.000 0.287 428 I C -0.604 175.519 176.117 0.010 0.000 1.012 428 I CA -0.163 61.112 61.300 -0.041 0.000 1.195 428 I CB 1.041 39.004 38.000 -0.061 0.000 1.350 428 I HN 0.447 nan 8.210 nan 0.000 0.464 429 I N 7.147 127.721 120.570 0.007 0.000 2.325 429 I HA 0.285 4.455 4.170 -0.001 0.000 0.291 429 I C -0.428 175.704 176.117 0.025 0.000 1.019 429 I CA -0.497 60.824 61.300 0.036 0.000 1.302 429 I CB 1.206 39.222 38.000 0.027 0.000 1.401 429 I HN 0.220 nan 8.210 nan 0.000 0.485 430 V N 7.538 127.474 119.914 0.036 0.000 2.483 430 V HA 0.371 4.491 4.120 -0.001 0.000 0.297 430 V C 0.028 176.141 176.094 0.033 0.000 1.027 430 V CA -0.677 61.639 62.300 0.026 0.000 0.855 430 V CB 1.800 33.630 31.823 0.011 0.000 0.995 430 V HN 0.472 nan 8.190 nan 0.000 0.424 431 L N 3.936 125.181 121.223 0.037 0.000 2.305 431 L HA 0.667 5.007 4.340 -0.001 0.000 0.281 431 L C 0.273 177.160 176.870 0.030 0.000 1.085 431 L CA 0.279 55.146 54.840 0.046 0.000 0.813 431 L CB 1.322 43.415 42.059 0.057 0.000 1.157 431 L HN 0.718 nan 8.230 nan 0.000 0.436 432 T N 1.674 116.237 114.554 0.015 0.000 2.993 432 T HA 0.300 4.650 4.350 -0.001 0.000 0.312 432 T C 0.323 175.011 174.700 -0.019 0.000 1.115 432 T CA -0.615 61.470 62.100 -0.025 0.000 1.027 432 T CB 1.727 70.542 68.868 -0.088 0.000 1.116 432 T HN 0.679 nan 8.240 nan 0.000 0.464 433 K N 1.358 121.740 120.400 -0.030 0.000 2.121 433 K HA 0.084 4.404 4.320 -0.001 0.000 0.203 433 K C 2.045 178.621 176.600 -0.039 0.000 1.041 433 K CA 1.027 57.302 56.287 -0.021 0.000 0.969 433 K CB 0.025 32.514 32.500 -0.019 0.000 0.799 433 K HN 0.606 nan 8.250 nan 0.000 0.456 434 S N -0.722 114.936 115.700 -0.071 0.000 2.535 434 S HA 0.190 4.660 4.470 -0.001 0.000 0.214 434 S C 1.431 175.955 174.600 -0.126 0.000 0.980 434 S CA 0.421 58.579 58.200 -0.070 0.000 0.907 434 S CB 0.681 63.839 63.200 -0.070 0.000 0.790 434 S HN 0.481 nan 8.310 nan 0.000 0.510 435 G N 2.171 110.833 108.800 -0.231 0.000 2.241 435 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.244 435 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.244 435 G C 1.110 175.404 174.900 -1.010 0.000 0.998 435 G CA 0.303 45.085 45.100 -0.529 0.000 0.621 435 G HN 0.490 nan 8.290 nan 0.000 0.519 436 R N 0.805 120.957 120.500 -0.579 0.000 2.105 436 R HA -0.028 4.311 4.340 -0.001 0.000 0.239 436 R C 2.762 178.883 176.300 -0.297 0.000 1.135 436 R CA 1.827 57.684 56.100 -0.404 0.000 0.967 436 R CB -0.432 29.784 30.300 -0.139 0.000 0.861 436 R HN 0.447 nan 8.270 nan 0.000 0.442 437 S N 0.626 116.192 115.700 -0.222 0.000 2.368 437 S HA -0.112 4.357 4.470 -0.001 0.000 0.224 437 S C 2.057 176.593 174.600 -0.106 0.000 1.029 437 S CA 1.213 59.347 58.200 -0.109 0.000 0.988 437 S CB -0.100 63.063 63.200 -0.062 0.000 0.838 437 S HN 0.484 nan 8.310 nan 0.000 0.462 438 A N 1.220 123.931 122.820 -0.182 0.000 1.969 438 A HA -0.105 4.214 4.320 -0.001 0.000 0.218 438 A C 1.646 179.164 177.584 -0.111 0.000 1.169 438 A CA 1.279 53.244 52.037 -0.119 0.000 0.635 438 A CB -0.857 18.079 19.000 -0.106 0.000 0.810 438 A HN 0.683 nan 8.150 nan 0.000 0.445 439 H N -0.728 118.166 119.070 -0.293 0.000 2.387 439 H HA -0.138 4.417 4.556 -0.001 0.000 0.299 439 H C 2.275 177.478 175.328 -0.208 0.000 1.090 439 H CA 1.383 57.118 56.048 -0.522 0.000 1.332 439 H CB 0.001 29.311 29.762 -0.754 0.000 1.386 439 H HN 0.590 nan 8.280 nan 0.000 0.516 440 Q N 0.369 120.175 119.800 0.010 0.000 2.119 440 Q HA -0.099 4.240 4.340 -0.001 0.000 0.201 440 Q C 2.535 178.636 176.000 0.169 0.000 0.972 440 Q CA 1.247 57.096 55.803 0.078 0.000 0.847 440 Q CB 0.185 28.978 28.738 0.091 0.000 0.903 440 Q HN 0.294 nan 8.270 nan 0.000 0.433 441 V N 0.826 120.822 119.914 0.138 0.000 2.307 441 V HA -0.254 3.866 4.120 -0.001 0.000 0.245 441 V C 2.273 178.472 176.094 0.176 0.000 1.045 441 V CA 1.760 64.167 62.300 0.178 0.000 1.024 441 V CB -0.988 30.884 31.823 0.081 0.000 0.651 441 V HN 0.381 nan 8.190 nan 0.000 0.449 442 A N 0.332 123.221 122.820 0.116 0.000 1.908 442 A HA -0.280 4.040 4.320 -0.001 0.000 0.218 442 A C 2.401 180.067 177.584 0.136 0.000 1.181 442 A CA 2.064 54.185 52.037 0.139 0.000 0.627 442 A CB -0.666 18.443 19.000 0.182 0.000 0.818 442 A HN 0.496 nan 8.150 nan 0.000 0.445 443 R N -1.957 118.583 120.500 0.067 0.000 2.249 443 R HA -0.164 4.176 4.340 -0.001 0.000 0.230 443 R C 0.726 176.936 176.300 -0.150 0.000 1.121 443 R CA 1.445 57.508 56.100 -0.063 0.000 0.997 443 R CB -0.272 29.910 30.300 -0.196 0.000 0.867 443 R HN 0.604 nan 8.270 nan 0.000 0.465 444 Y N 0.225 120.637 120.300 0.186 0.000 2.457 444 Y HA 0.267 4.817 4.550 -0.000 0.000 0.263 444 Y C 0.164 176.246 175.900 0.303 0.000 1.164 444 Y CA -0.302 57.971 58.100 0.288 0.000 1.274 444 Y CB 0.517 39.193 38.460 0.360 0.000 1.097 444 Y HN -0.095 nan 8.280 nan 0.000 0.523 445 R N -0.121 120.557 120.500 0.298 0.000 3.205 445 R HA -0.151 4.188 4.340 -0.001 0.000 0.249 445 R C -2.895 173.577 176.300 0.287 0.000 0.937 445 R CA 0.257 56.520 56.100 0.271 0.000 0.641 445 R CB -2.151 28.313 30.300 0.274 0.000 1.114 445 R HN 0.281 nan 8.270 nan 0.000 0.451 446 P HA 0.005 nan 4.420 nan 0.000 0.269 446 P C 0.734 177.940 177.300 -0.157 0.000 1.215 446 P CA -0.153 62.789 63.100 -0.264 0.000 0.780 446 P CB 0.563 32.052 31.700 -0.352 0.000 0.898 447 R N 2.126 122.372 120.500 -0.422 0.000 2.090 447 R HA 0.011 4.350 4.340 -0.001 0.000 0.228 447 R C 0.774 176.942 176.300 -0.220 0.000 1.110 447 R CA 0.694 56.583 56.100 -0.351 0.000 0.973 447 R CB -0.524 29.496 30.300 -0.466 0.000 0.869 447 R HN 0.615 nan 8.270 nan 0.000 0.440 448 A N 2.896 125.542 122.820 -0.291 0.000 2.511 448 A HA 0.233 4.553 4.320 -0.001 0.000 0.242 448 A C -2.199 175.298 177.584 -0.146 0.000 1.069 448 A CA -1.250 50.667 52.037 -0.201 0.000 0.763 448 A CB 0.001 18.869 19.000 -0.220 0.000 1.001 448 A HN 0.274 nan 8.150 nan 0.000 0.498 449 P HA 0.198 nan 4.420 nan 0.000 0.271 449 P C -0.728 176.554 177.300 -0.031 0.000 1.216 449 P CA 0.249 63.270 63.100 -0.132 0.000 0.776 449 P CB 0.457 31.940 31.700 -0.362 0.000 0.881 450 I N 4.172 124.760 120.570 0.030 0.000 2.287 450 I HA 0.248 4.418 4.170 -0.001 0.000 0.290 450 I C 0.710 176.911 176.117 0.140 0.000 1.069 450 I CA -0.485 60.854 61.300 0.066 0.000 1.237 450 I CB 0.041 38.077 38.000 0.061 0.000 1.418 450 I HN 0.122 nan 8.210 nan 0.000 0.481 451 I N 6.296 126.962 120.570 0.160 0.000 2.294 451 I HA 0.238 4.408 4.170 -0.001 0.000 0.295 451 I C 0.769 176.971 176.117 0.141 0.000 1.098 451 I CA -0.079 61.358 61.300 0.228 0.000 1.277 451 I CB 0.575 38.721 38.000 0.242 0.000 1.434 451 I HN 0.586 nan 8.210 nan 0.000 0.498 452 A N 7.292 130.185 122.820 0.122 0.000 2.279 452 A HA 0.521 4.840 4.320 -0.001 0.000 0.306 452 A C -0.149 177.479 177.584 0.073 0.000 1.300 452 A CA -0.390 51.686 52.037 0.064 0.000 0.925 452 A CB 0.281 19.295 19.000 0.023 0.000 1.152 452 A HN 0.474 nan 8.150 nan 0.000 0.544 453 V N 3.190 123.154 119.914 0.084 0.000 2.385 453 V HA 0.559 4.679 4.120 -0.001 0.000 0.269 453 V C 0.618 176.774 176.094 0.103 0.000 1.043 453 V CA 0.018 62.396 62.300 0.130 0.000 0.906 453 V CB 0.967 32.886 31.823 0.159 0.000 0.995 453 V HN 0.935 nan 8.190 nan 0.000 0.467 454 T N 4.381 119.002 114.554 0.112 0.000 2.896 454 T HA 0.433 4.783 4.350 -0.001 0.000 0.297 454 T C 0.611 175.355 174.700 0.073 0.000 1.108 454 T CA -0.635 61.508 62.100 0.071 0.000 1.004 454 T CB 1.804 70.695 68.868 0.039 0.000 1.159 454 T HN 0.640 nan 8.240 nan 0.000 0.499 455 R N 1.353 121.880 120.500 0.044 0.000 2.312 455 R HA 0.185 4.525 4.340 -0.001 0.000 0.205 455 R C 0.329 176.640 176.300 0.018 0.000 0.904 455 R CA -0.160 55.953 56.100 0.023 0.000 1.052 455 R CB 0.198 30.505 30.300 0.012 0.000 1.014 455 R HN 0.404 nan 8.270 nan 0.000 0.503 456 N N 1.737 120.451 118.700 0.024 0.000 2.420 456 N HA 0.075 4.815 4.740 -0.001 0.000 0.249 456 N C -2.079 173.450 175.510 0.031 0.000 1.033 456 N CA -2.069 50.992 53.050 0.020 0.000 0.944 456 N CB 1.729 40.224 38.487 0.013 0.000 1.113 456 N HN -0.177 nan 8.380 nan 0.000 0.502 457 P HA -0.174 nan 4.420 nan 0.000 0.215 457 P C 1.203 178.537 177.300 0.056 0.000 1.153 457 P CA 1.266 64.398 63.100 0.053 0.000 0.853 457 P CB 0.382 32.108 31.700 0.044 0.000 0.788 458 Q N -0.722 119.103 119.800 0.041 0.000 2.016 458 Q HA -0.127 4.212 4.340 -0.001 0.000 0.200 458 Q C 1.907 177.939 176.000 0.052 0.000 0.978 458 Q CA 2.151 57.979 55.803 0.042 0.000 0.833 458 Q CB -0.799 27.956 28.738 0.029 0.000 0.895 458 Q HN 0.085 nan 8.270 nan 0.000 0.427 459 T N 1.132 115.712 114.554 0.044 0.000 2.620 459 T HA -0.295 4.054 4.350 -0.001 0.000 0.267 459 T C 1.808 176.534 174.700 0.043 0.000 1.044 459 T CA 1.840 63.968 62.100 0.047 0.000 1.161 459 T CB -0.682 68.195 68.868 0.015 0.000 0.862 459 T HN 0.540 nan 8.240 nan 0.000 0.438 460 A N 1.495 124.333 122.820 0.031 0.000 1.917 460 A HA -0.209 4.110 4.320 -0.001 0.000 0.219 460 A C 2.390 179.951 177.584 -0.039 0.000 1.182 460 A CA 1.892 53.930 52.037 0.002 0.000 0.633 460 A CB -0.524 18.506 19.000 0.051 0.000 0.819 460 A HN 0.501 nan 8.150 nan 0.000 0.448 461 R N -1.080 119.444 120.500 0.039 0.000 2.075 461 R HA -0.041 4.299 4.340 -0.001 0.000 0.226 461 R C 2.371 178.742 176.300 0.118 0.000 1.114 461 R CA 1.323 57.482 56.100 0.098 0.000 0.972 461 R CB -0.290 30.073 30.300 0.105 0.000 0.869 461 R HN 0.662 nan 8.270 nan 0.000 0.437 462 Q N 0.207 120.070 119.800 0.104 0.000 2.297 462 Q HA 0.008 4.347 4.340 -0.001 0.000 0.204 462 Q C 1.956 178.071 176.000 0.191 0.000 0.962 462 Q CA 0.969 56.857 55.803 0.141 0.000 0.879 462 Q CB 0.076 28.899 28.738 0.142 0.000 0.947 462 Q HN 0.320 nan 8.270 nan 0.000 0.462 463 A N 0.557 123.465 122.820 0.147 0.000 2.125 463 A HA -0.195 4.125 4.320 -0.001 0.000 0.219 463 A C 1.391 179.070 177.584 0.157 0.000 1.156 463 A CA 1.016 53.173 52.037 0.200 0.000 0.671 463 A CB -0.514 18.518 19.000 0.052 0.000 0.794 463 A HN 0.363 nan 8.150 nan 0.000 0.459 464 H N -0.503 118.648 119.070 0.134 0.000 2.545 464 H HA 0.033 4.589 4.556 -0.001 0.000 0.282 464 H C 1.621 176.987 175.328 0.063 0.000 1.020 464 H CA 1.009 57.106 56.048 0.081 0.000 1.243 464 H CB -0.074 29.710 29.762 0.037 0.000 1.377 464 H HN 0.462 nan 8.280 nan 0.000 0.581 465 L N -0.221 121.090 121.223 0.147 0.000 2.478 465 L HA -0.076 4.263 4.340 -0.001 0.000 0.223 465 L C -0.015 176.686 176.870 -0.282 0.000 1.140 465 L CA 0.441 55.233 54.840 -0.080 0.000 0.842 465 L CB -0.058 41.878 42.059 -0.204 0.000 0.953 465 L HN 0.110 nan 8.230 nan 0.000 0.452 466 Y N -0.384 119.928 120.300 0.021 0.000 2.331 466 Y HA 0.371 4.920 4.550 -0.001 0.000 0.338 466 Y C 0.586 176.522 175.900 0.060 0.000 0.976 466 Y CA -1.301 56.811 58.100 0.020 0.000 1.137 466 Y CB 0.794 39.269 38.460 0.025 0.000 1.172 466 Y HN -0.094 nan 8.280 nan 0.000 0.478 467 R N 1.879 122.468 120.500 0.148 0.000 2.500 467 R HA 0.206 4.545 4.340 -0.001 0.000 0.281 467 R C 1.177 177.573 176.300 0.159 0.000 0.953 467 R CA 1.508 57.687 56.100 0.133 0.000 1.108 467 R CB -0.477 29.885 30.300 0.103 0.000 0.901 467 R HN 0.998 nan 8.270 nan 0.000 0.410 468 G N 3.585 112.468 108.800 0.138 0.000 2.241 468 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.244 468 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.244 468 G C 0.200 175.181 174.900 0.134 0.000 0.998 468 G CA 0.118 45.286 45.100 0.113 0.000 0.621 468 G HN 0.563 nan 8.290 nan 0.000 0.519 469 I N 0.943 121.616 120.570 0.171 0.000 2.371 469 I HA 0.470 4.639 4.170 -0.001 0.000 0.290 469 I C -0.206 176.028 176.117 0.195 0.000 1.028 469 I CA -0.654 60.745 61.300 0.164 0.000 1.345 469 I CB 0.946 39.035 38.000 0.149 0.000 1.407 469 I HN 0.075 nan 8.210 nan 0.000 0.501 470 F N 9.888 129.872 119.950 0.056 0.000 2.293 470 F HA 0.462 4.989 4.527 -0.001 0.000 0.370 470 F C -2.265 173.558 175.800 0.039 0.000 1.090 470 F CA -2.657 55.391 58.000 0.081 0.000 1.133 470 F CB 0.771 39.861 39.000 0.150 0.000 1.360 470 F HN 0.229 nan 8.300 nan 0.000 0.489 471 P HA 0.242 nan 4.420 nan 0.000 0.280 471 P C -1.197 175.998 177.300 -0.176 0.000 1.244 471 P CA -0.157 62.818 63.100 -0.209 0.000 0.784 471 P CB 1.595 33.104 31.700 -0.318 0.000 0.913 472 V N 1.705 121.629 119.914 0.017 0.000 2.588 472 V HA 0.553 4.673 4.120 -0.001 0.000 0.304 472 V C -0.815 175.438 176.094 0.266 0.000 1.042 472 V CA -1.214 61.163 62.300 0.129 0.000 0.877 472 V CB 1.719 33.560 31.823 0.030 0.000 0.996 472 V HN 0.315 nan 8.190 nan 0.000 0.425 473 L N 6.161 127.589 121.223 0.341 0.000 2.257 473 L HA 0.639 4.979 4.340 -0.001 0.000 0.290 473 L C -0.016 176.977 176.870 0.203 0.000 1.044 473 L CA -0.003 54.982 54.840 0.242 0.000 0.810 473 L CB 0.682 42.858 42.059 0.195 0.000 1.193 473 L HN 1.065 nan 8.230 nan 0.000 0.425 474 C N 5.400 124.767 119.300 0.113 0.000 2.394 474 C HA 0.600 5.060 4.460 -0.001 0.000 0.362 474 C C 1.371 176.253 174.990 -0.180 0.000 1.268 474 C CA 0.173 59.087 59.018 -0.174 0.000 1.828 474 C CB -0.286 27.399 27.740 -0.091 0.000 2.442 474 C HN 1.021 nan 8.230 nan 0.000 0.549 475 K N 3.402 123.637 120.400 -0.275 0.000 2.361 475 K HA 0.161 4.481 4.320 -0.001 0.000 0.194 475 K C 0.412 176.911 176.600 -0.168 0.000 1.032 475 K CA 0.372 56.542 56.287 -0.194 0.000 1.048 475 K CB -0.207 32.171 32.500 -0.202 0.000 0.842 475 K HN 0.887 nan 8.250 nan 0.000 0.526 476 D N 2.151 122.428 120.400 -0.205 0.000 2.424 476 D HA 0.150 4.790 4.640 -0.001 0.000 0.244 476 D C -2.360 173.883 176.300 -0.094 0.000 1.134 476 D CA -1.304 52.606 54.000 -0.148 0.000 0.881 476 D CB 1.275 41.977 40.800 -0.163 0.000 1.191 476 D HN 0.165 nan 8.370 nan 0.000 0.445 477 P HA 0.020 nan 4.420 nan 0.000 0.272 477 P C -0.242 177.041 177.300 -0.028 0.000 1.230 477 P CA -0.526 62.549 63.100 -0.042 0.000 0.788 477 P CB 0.536 32.216 31.700 -0.033 0.000 0.949 478 V N 3.061 122.970 119.914 -0.008 0.000 2.540 478 V HA -0.030 4.089 4.120 -0.001 0.000 0.297 478 V C 0.857 176.961 176.094 0.016 0.000 1.024 478 V CA 0.169 62.478 62.300 0.015 0.000 1.105 478 V CB -0.477 31.367 31.823 0.036 0.000 0.938 478 V HN 0.459 nan 8.190 nan 0.000 0.482 479 Q N 3.678 123.489 119.800 0.018 0.000 2.299 479 Q HA 0.305 4.644 4.340 -0.001 0.000 0.246 479 Q C 1.408 177.436 176.000 0.046 0.000 0.935 479 Q CA 0.427 56.240 55.803 0.017 0.000 0.887 479 Q CB 0.686 29.424 28.738 -0.001 0.000 1.223 479 Q HN 0.879 nan 8.270 nan 0.000 0.439 480 E N 2.175 122.398 120.200 0.039 0.000 2.051 480 E HA -0.037 4.312 4.350 -0.001 0.000 0.192 480 E C 0.741 177.389 176.600 0.080 0.000 0.991 480 E CA 1.332 57.763 56.400 0.051 0.000 0.799 480 E CB -0.169 29.551 29.700 0.033 0.000 0.748 480 E HN 0.739 nan 8.360 nan 0.000 0.449 481 A N -0.422 122.438 122.820 0.067 0.000 2.410 481 A HA 0.402 4.721 4.320 -0.001 0.000 0.292 481 A C 0.653 178.304 177.584 0.112 0.000 1.232 481 A CA 0.056 52.144 52.037 0.084 0.000 0.893 481 A CB -0.617 18.408 19.000 0.042 0.000 1.131 481 A HN 0.622 nan 8.150 nan 0.000 0.530 482 W N 3.733 125.028 121.300 -0.009 0.000 2.333 482 W HA -0.241 4.418 4.660 -0.002 0.000 0.316 482 W C 2.030 178.548 176.519 -0.003 0.000 1.215 482 W CA 2.698 60.036 57.345 -0.011 0.000 1.278 482 W CB -0.284 29.163 29.460 -0.022 0.000 1.154 482 W HN 0.718 nan 8.180 nan 0.000 0.486 483 A N 0.501 123.238 122.820 -0.138 0.000 1.927 483 A HA -0.281 4.038 4.320 -0.001 0.000 0.220 483 A C 1.876 179.305 177.584 -0.258 0.000 1.185 483 A CA 3.529 55.393 52.037 -0.289 0.000 0.639 483 A CB -1.614 17.344 19.000 -0.071 0.000 0.820 483 A HN 0.468 nan 8.150 nan 0.000 0.451 484 E N -0.511 119.605 120.200 -0.140 0.000 2.150 484 E HA -0.202 4.147 4.350 -0.001 0.000 0.193 484 E C 1.641 178.160 176.600 -0.134 0.000 0.985 484 E CA 1.567 57.904 56.400 -0.105 0.000 0.814 484 E CB -0.873 28.799 29.700 -0.047 0.000 0.752 484 E HN 0.759 nan 8.360 nan 0.000 0.466 485 D N -0.603 119.694 120.400 -0.171 0.000 2.144 485 D HA -0.095 4.544 4.640 -0.001 0.000 0.200 485 D C 1.890 178.052 176.300 -0.230 0.000 0.978 485 D CA 1.209 55.117 54.000 -0.153 0.000 0.833 485 D CB 0.112 40.863 40.800 -0.081 0.000 0.961 485 D HN 0.261 nan 8.370 nan 0.000 0.470 486 V N 0.851 120.497 119.914 -0.446 0.000 2.261 486 V HA -0.235 3.885 4.120 -0.001 0.000 0.246 486 V C 1.863 177.833 176.094 -0.207 0.000 1.047 486 V CA 2.071 64.125 62.300 -0.409 0.000 1.015 486 V CB -0.565 30.844 31.823 -0.691 0.000 0.642 486 V HN 0.230 nan 8.190 nan 0.000 0.446 487 D N -0.151 120.135 120.400 -0.189 0.000 2.158 487 D HA -0.196 4.444 4.640 -0.001 0.000 0.197 487 D C 2.039 178.312 176.300 -0.045 0.000 0.995 487 D CA 1.288 55.229 54.000 -0.099 0.000 0.846 487 D CB -0.370 40.379 40.800 -0.086 0.000 0.941 487 D HN 0.399 nan 8.370 nan 0.000 0.456 488 L N 0.358 121.551 121.223 -0.050 0.000 2.042 488 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 488 L C 2.399 179.300 176.870 0.052 0.000 1.076 488 L CA 1.423 56.258 54.840 -0.009 0.000 0.749 488 L CB 0.050 42.088 42.059 -0.035 0.000 0.893 488 L HN -0.074 nan 8.230 nan 0.000 0.432 489 R N -1.229 119.296 120.500 0.042 0.000 2.090 489 R HA -0.080 4.259 4.340 -0.001 0.000 0.228 489 R C 2.103 178.496 176.300 0.156 0.000 1.110 489 R CA 1.215 57.398 56.100 0.138 0.000 0.973 489 R CB -0.241 30.112 30.300 0.089 0.000 0.869 489 R HN 0.272 nan 8.270 nan 0.000 0.440 490 V N 1.870 121.821 119.914 0.062 0.000 2.343 490 V HA -0.244 3.875 4.120 -0.001 0.000 0.247 490 V C 1.725 177.860 176.094 0.068 0.000 1.051 490 V CA 1.653 63.979 62.300 0.044 0.000 1.036 490 V CB -0.466 31.353 31.823 -0.007 0.000 0.654 490 V HN 0.363 nan 8.190 nan 0.000 0.451 491 N N -0.436 118.310 118.700 0.078 0.000 2.331 491 N HA -0.116 4.623 4.740 -0.001 0.000 0.180 491 N C 1.717 177.319 175.510 0.153 0.000 1.019 491 N CA 1.198 54.302 53.050 0.089 0.000 0.881 491 N CB -0.282 38.243 38.487 0.064 0.000 0.972 491 N HN 0.526 nan 8.380 nan 0.000 0.435 492 F N 2.317 122.284 119.950 0.029 0.000 2.102 492 F HA -0.073 4.454 4.527 -0.001 0.000 0.298 492 F C 2.253 178.095 175.800 0.069 0.000 1.105 492 F CA 1.196 59.220 58.000 0.040 0.000 1.239 492 F CB -0.681 38.338 39.000 0.032 0.000 0.991 492 F HN -0.005 nan 8.300 nan 0.000 0.474 493 A N 0.999 123.750 122.820 -0.115 0.000 1.908 493 A HA -0.212 4.107 4.320 -0.001 0.000 0.218 493 A C 2.266 179.867 177.584 0.028 0.000 1.181 493 A CA 2.068 54.025 52.037 -0.133 0.000 0.627 493 A CB -0.783 18.224 19.000 0.012 0.000 0.818 493 A HN 0.444 nan 8.150 nan 0.000 0.445 494 M N 0.149 119.815 119.600 0.110 0.000 2.082 494 M HA -0.162 4.317 4.480 -0.001 0.000 0.258 494 M C 1.669 178.059 176.300 0.151 0.000 1.069 494 M CA 1.465 56.903 55.300 0.230 0.000 1.102 494 M CB -1.632 31.048 32.600 0.133 0.000 1.336 494 M HN 0.426 nan 8.290 nan 0.000 0.404 495 N N 0.301 119.026 118.700 0.043 0.000 2.188 495 N HA -0.076 4.663 4.740 -0.001 0.000 0.184 495 N C 1.900 177.336 175.510 -0.124 0.000 1.018 495 N CA 1.036 54.082 53.050 -0.006 0.000 0.858 495 N CB -0.500 38.024 38.487 0.061 0.000 0.989 495 N HN 0.198 nan 8.380 nan 0.000 0.426 496 V N 0.851 120.633 119.914 -0.220 0.000 2.295 496 V HA -0.139 3.981 4.120 -0.001 0.000 0.246 496 V C 2.492 178.253 176.094 -0.555 0.000 1.049 496 V CA 2.035 64.141 62.300 -0.324 0.000 1.024 496 V CB -1.295 30.329 31.823 -0.333 0.000 0.648 496 V HN 0.313 nan 8.190 nan 0.000 0.447 497 G N -0.097 108.343 108.800 -0.599 0.000 2.446 497 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.217 497 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.217 497 G C 1.670 175.851 174.900 -1.197 0.000 1.168 497 G CA 1.080 45.411 45.100 -1.281 0.000 0.771 497 G HN 0.485 nan 8.290 nan 0.000 0.551 498 K N 0.547 120.559 120.400 -0.646 0.000 2.057 498 K HA 0.081 4.401 4.320 -0.001 0.000 0.207 498 K C 2.932 179.345 176.600 -0.312 0.000 1.049 498 K CA 1.071 57.158 56.287 -0.333 0.000 0.931 498 K CB -0.230 32.213 32.500 -0.096 0.000 0.714 498 K HN 0.270 nan 8.250 nan 0.000 0.440 499 A N 1.239 123.873 122.820 -0.309 0.000 1.930 499 A HA -0.102 4.218 4.320 -0.001 0.000 0.217 499 A C 1.778 179.170 177.584 -0.321 0.000 1.175 499 A CA 1.161 53.053 52.037 -0.241 0.000 0.627 499 A CB -0.144 18.752 19.000 -0.174 0.000 0.815 499 A HN 0.086 nan 8.150 nan 0.000 0.443 500 R N -0.941 119.218 120.500 -0.569 0.000 2.310 500 R HA 0.119 4.459 4.340 -0.001 0.000 0.202 500 R C 1.236 177.212 176.300 -0.539 0.000 0.933 500 R CA 0.652 56.346 56.100 -0.676 0.000 1.054 500 R CB -0.774 28.746 30.300 -1.300 0.000 0.985 500 R HN 0.814 nan 8.270 nan 0.000 0.489 501 G N 1.001 109.546 108.800 -0.425 0.000 2.153 501 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.252 501 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.252 501 G C 0.546 175.400 174.900 -0.078 0.000 0.994 501 G CA 0.179 45.159 45.100 -0.200 0.000 0.698 501 G HN 0.252 nan 8.290 nan 0.000 0.521 502 F N -0.215 119.474 119.950 -0.435 0.000 2.259 502 F HA 0.340 4.866 4.527 -0.001 0.000 0.298 502 F C 1.429 177.108 175.800 -0.202 0.000 1.088 502 F CA 0.695 58.461 58.000 -0.389 0.000 1.358 502 F CB -0.701 37.969 39.000 -0.551 0.000 1.040 502 F HN 0.432 nan 8.300 nan 0.000 0.505 503 F N -1.433 118.574 119.950 0.095 0.000 2.817 503 F HA 0.574 5.101 4.527 -0.000 0.000 0.317 503 F C -0.835 174.964 175.800 -0.001 0.000 1.168 503 F CA -2.386 55.635 58.000 0.035 0.000 0.911 503 F CB 1.049 40.066 39.000 0.028 0.000 1.337 503 F HN -0.215 nan 8.300 nan 0.000 0.464 504 K N 0.259 120.845 120.400 0.311 0.000 2.433 504 K HA 0.512 4.831 4.320 -0.001 0.000 0.252 504 K C -1.216 175.476 176.600 0.153 0.000 1.015 504 K CA -1.273 55.120 56.287 0.177 0.000 0.860 504 K CB 2.369 34.921 32.500 0.087 0.000 1.359 504 K HN 0.800 nan 8.250 nan 0.000 0.452 505 K N -0.050 120.407 120.400 0.095 0.000 2.550 505 K HA -0.024 4.295 4.320 -0.001 0.000 0.280 505 K C 0.704 177.322 176.600 0.030 0.000 0.987 505 K CA 1.878 58.197 56.287 0.053 0.000 1.048 505 K CB -0.363 32.159 32.500 0.036 0.000 0.879 505 K HN 0.866 nan 8.250 nan 0.000 0.491 506 G N 2.815 111.618 108.800 0.004 0.000 2.253 506 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.251 506 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.251 506 G C -0.231 174.657 174.900 -0.020 0.000 0.998 506 G CA 0.288 45.383 45.100 -0.008 0.000 0.621 506 G HN 0.750 nan 8.290 nan 0.000 0.524 507 D N 0.104 120.493 120.400 -0.019 0.000 2.362 507 D HA 0.447 5.086 4.640 -0.001 0.000 0.238 507 D C 0.715 176.946 176.300 -0.114 0.000 1.212 507 D CA 0.159 54.130 54.000 -0.047 0.000 0.902 507 D CB 1.271 42.060 40.800 -0.017 0.000 1.180 507 D HN 0.257 nan 8.370 nan 0.000 0.445 508 V N 0.903 120.744 119.914 -0.121 0.000 2.483 508 V HA 0.458 4.578 4.120 -0.001 0.000 0.295 508 V C 0.279 176.250 176.094 -0.204 0.000 1.035 508 V CA -0.705 61.510 62.300 -0.140 0.000 0.896 508 V CB 1.545 33.314 31.823 -0.090 0.000 0.986 508 V HN 0.423 nan 8.190 nan 0.000 0.447 509 V N 3.226 122.998 119.914 -0.236 0.000 3.001 509 V HA 0.697 4.816 4.120 -0.001 0.000 0.314 509 V C -0.775 175.222 176.094 -0.162 0.000 1.099 509 V CA -0.885 61.262 62.300 -0.255 0.000 0.989 509 V CB 2.303 33.874 31.823 -0.420 0.000 1.040 509 V HN 0.555 nan 8.190 nan 0.000 0.434 510 I N 2.863 123.354 120.570 -0.131 0.000 2.385 510 I HA 0.594 4.764 4.170 -0.001 0.000 0.294 510 I C -0.098 175.976 176.117 -0.071 0.000 0.988 510 I CA -0.655 60.590 61.300 -0.092 0.000 1.265 510 I CB 1.415 39.360 38.000 -0.092 0.000 1.388 510 I HN 0.515 nan 8.210 nan 0.000 0.480 511 V N 6.975 126.860 119.914 -0.050 0.000 2.487 511 V HA 0.480 4.600 4.120 -0.001 0.000 0.298 511 V C -0.098 175.992 176.094 -0.007 0.000 1.028 511 V CA -0.620 61.663 62.300 -0.029 0.000 0.860 511 V CB 2.285 34.088 31.823 -0.034 0.000 0.991 511 V HN 0.424 nan 8.190 nan 0.000 0.427 512 L N 5.332 126.559 121.223 0.008 0.000 2.325 512 L HA 0.801 5.140 4.340 -0.001 0.000 0.281 512 L C 0.216 177.114 176.870 0.045 0.000 1.004 512 L CA -0.212 54.645 54.840 0.029 0.000 0.823 512 L CB 2.019 44.095 42.059 0.028 0.000 1.236 512 L HN 0.840 nan 8.230 nan 0.000 0.415 513 T N -0.737 113.861 114.554 0.074 0.000 2.831 513 T HA 0.753 5.103 4.350 -0.001 0.000 0.287 513 T C 0.061 174.868 174.700 0.180 0.000 1.070 513 T CA -0.557 61.609 62.100 0.110 0.000 1.010 513 T CB 1.961 70.874 68.868 0.074 0.000 1.264 513 T HN 0.539 nan 8.240 nan 0.000 0.532 514 G N -0.809 108.142 108.800 0.251 0.000 2.557 514 G HA2 0.472 4.432 3.960 -0.001 0.000 0.302 514 G HA3 0.472 4.432 3.960 -0.001 0.000 0.302 514 G C 0.532 175.665 174.900 0.389 0.000 1.311 514 G CA -0.649 44.617 45.100 0.276 0.000 1.030 514 G HN 0.966 nan 8.290 nan 0.000 0.509 515 W N -0.448 120.971 121.300 0.198 0.000 3.077 515 W HA 0.284 4.944 4.660 0.000 0.000 0.266 515 W C 0.387 176.819 176.519 -0.146 0.000 1.300 515 W CA -0.148 57.264 57.345 0.112 0.000 1.586 515 W CB -0.343 29.128 29.460 0.018 0.000 1.103 515 W HN 0.598 nan 8.180 nan 0.000 0.652 516 R N -0.277 119.690 120.500 -0.888 0.000 2.781 516 R HA 0.591 4.930 4.340 -0.001 0.000 0.268 516 R C -3.191 172.366 176.300 -1.237 0.000 1.047 516 R CA -1.686 53.507 56.100 -1.511 0.000 0.925 516 R CB 0.212 29.642 30.300 -1.451 0.000 1.246 516 R HN -0.404 nan 8.270 nan 0.000 0.456 517 P HA 0.379 nan 4.420 nan 0.000 0.274 517 P C -0.189 177.007 177.300 -0.172 0.000 1.256 517 P CA 0.593 63.389 63.100 -0.507 0.000 0.795 517 P CB 0.668 32.061 31.700 -0.511 0.000 1.038 518 G N -0.566 108.248 108.800 0.022 0.000 2.707 518 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.686 518 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.686 518 G C -0.361 174.574 174.900 0.057 0.000 1.315 518 G CA -0.555 44.595 45.100 0.084 0.000 0.832 518 G HN 0.581 nan 8.290 nan 0.000 0.573 519 S N -0.220 115.415 115.700 -0.109 0.000 2.576 519 S HA 0.561 5.030 4.470 -0.001 0.000 0.276 519 S C 1.510 175.742 174.600 -0.613 0.000 1.339 519 S CA 1.707 59.763 58.200 -0.240 0.000 1.039 519 S CB 0.706 63.797 63.200 -0.182 0.000 0.902 519 S HN 2.627 nan 8.310 nan 0.000 0.516 520 G N 2.460 110.976 108.800 -0.473 0.000 2.132 520 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.234 520 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.234 520 G C 0.107 174.666 174.900 -0.568 0.000 0.989 520 G CA 0.117 44.904 45.100 -0.521 0.000 0.676 520 G HN 0.630 nan 8.290 nan 0.000 0.522 521 F N 1.212 121.120 119.950 -0.070 0.000 2.654 521 F HA 0.345 4.871 4.527 -0.002 0.000 0.303 521 F C 1.407 177.235 175.800 0.046 0.000 1.099 521 F CA -0.269 57.684 58.000 -0.078 0.000 1.270 521 F CB 0.402 39.085 39.000 -0.527 0.000 1.024 521 F HN 0.007 nan 8.300 nan 0.000 0.548 522 T N 3.287 117.935 114.554 0.156 0.000 2.793 522 T HA 0.017 4.367 4.350 -0.001 0.000 0.289 522 T C 1.114 175.929 174.700 0.193 0.000 0.956 522 T CA 0.500 62.692 62.100 0.154 0.000 1.177 522 T CB -0.077 68.838 68.868 0.078 0.000 0.897 522 T HN 0.491 nan 8.240 nan 0.000 0.533 523 N N 1.325 120.162 118.700 0.228 0.000 1.938 523 N HA -0.016 4.724 4.740 -0.001 0.000 0.225 523 N C -0.710 174.902 175.510 0.170 0.000 1.400 523 N CA -0.388 52.794 53.050 0.220 0.000 0.772 523 N CB 0.896 39.582 38.487 0.332 0.000 1.124 523 N HN 0.371 nan 8.380 nan 0.000 0.513 524 T N 2.045 116.694 114.554 0.159 0.000 2.809 524 T HA 0.425 4.774 4.350 -0.001 0.000 0.284 524 T C -0.845 173.902 174.700 0.078 0.000 0.992 524 T CA -0.481 61.693 62.100 0.123 0.000 0.957 524 T CB 1.814 70.773 68.868 0.153 0.000 0.942 524 T HN 0.103 nan 8.240 nan 0.000 0.439 525 M N 4.025 123.656 119.600 0.052 0.000 2.243 525 M HA 0.520 4.999 4.480 -0.001 0.000 0.324 525 M C -1.239 175.068 176.300 0.012 0.000 1.031 525 M CA -0.484 54.831 55.300 0.025 0.000 0.949 525 M CB 1.338 33.947 32.600 0.016 0.000 1.615 525 M HN 0.589 nan 8.290 nan 0.000 0.430 526 R N 2.704 123.202 120.500 -0.002 0.000 2.740 526 R HA 0.732 5.071 4.340 -0.001 0.000 0.282 526 R C -1.248 175.033 176.300 -0.033 0.000 0.969 526 R CA -0.924 55.168 56.100 -0.014 0.000 0.918 526 R CB 2.566 32.858 30.300 -0.014 0.000 1.175 526 R HN 0.502 nan 8.270 nan 0.000 0.464 527 V N 3.487 123.379 119.914 -0.036 0.000 2.328 527 V HA 0.362 4.481 4.120 -0.001 0.000 0.278 527 V C -0.133 175.928 176.094 -0.056 0.000 1.021 527 V CA -0.654 61.615 62.300 -0.051 0.000 0.838 527 V CB 1.232 33.029 31.823 -0.043 0.000 0.999 527 V HN 0.585 nan 8.190 nan 0.000 0.447 528 V N 4.014 123.883 119.914 -0.076 0.000 2.876 528 V HA 0.825 4.945 4.120 -0.001 0.000 0.312 528 V C -2.739 173.295 176.094 -0.100 0.000 1.085 528 V CA -2.459 59.796 62.300 -0.076 0.000 0.945 528 V CB 2.505 34.284 31.823 -0.073 0.000 1.017 528 V HN 0.614 nan 8.190 nan 0.000 0.428 529 P HA 0.337 nan 4.420 nan 0.000 0.281 529 P C -0.355 176.881 177.300 -0.106 0.000 1.249 529 P CA -0.318 62.728 63.100 -0.090 0.000 0.810 529 P CB 1.526 33.193 31.700 -0.055 0.000 1.008 530 V N 4.482 124.318 119.914 -0.130 0.000 2.521 530 V HA 0.122 4.241 4.120 -0.001 0.000 0.286 530 V C -1.530 174.547 176.094 -0.028 0.000 1.034 530 V CA -0.910 61.324 62.300 -0.110 0.000 1.045 530 V CB 0.013 31.763 31.823 -0.121 0.000 0.974 530 V HN 0.639 nan 8.190 nan 0.000 0.480 531 P HA 0.000 nan 4.420 nan 0.000 0.216 531 P CA 0.000 63.104 63.100 0.007 0.000 0.800 531 P CB 0.000 31.705 31.700 0.008 0.000 0.726