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 1ovm_1_A DATA FIRST_RESID 3 DATA SEQUENCE TPYCVADYLL DRLTDCGADH LFGVPGDYNL QFLDHVIDSP DICWVGCANE DATA SEQUENCE LNASYAADGY ARCKGFAALL TTFGVGELSA MNGIAGSYAE HVPVLHIVGA DATA SEQUENCE PGTAAQQRGE LLHHTLGDGE FRHFYHMSEP ITVAQAVLTE QNACYEIDRV DATA SEQUENCE LTTMLRERRP GYLMLPADVA KKAATPPVNA LTHKQAHADS ACLKAFRDAA DATA SEQUENCE ENKLAMSKRT ALLADFLVLR HGLKHALQKW VKEVPMAHAT MLMGKGIFDE DATA SEQUENCE RQAGFYGTYS GSASTGAVKE AIEGADTVLC VGTRFTDTLT AGFTHQLTPA DATA SEQUENCE QTIEVQPHAA RVGDVWFTGI PMNQAIETLV ELCKQHVHAX XXXXXXXXXX DATA SEQUENCE XXXPDGSLTQ ENFWRTLQTF IRPGDIILAD QGTSAFGAID LRLPADVNFI DATA SEQUENCE VQPLWGSIGY TLAAAFGAQT ACPNRRVIVL TGDGAAQLTI QELGSMLRDK DATA SEQUENCE QHPIILVLNN EGYTVERAIH GAEQRYNDIA LWNWTHIPQA LSLDPQSECW DATA SEQUENCE RVSEAEQLAD VLEKVAHHER LSLIEVMLPK ADIPPLLGAL TKALEACNN 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.758 174.700 0.096 0.000 1.109 3 T CA 0.000 62.128 62.100 0.047 0.000 1.349 3 T CB 0.000 68.875 68.868 0.011 0.000 0.612 4 P HA 0.231 nan 4.420 nan 0.000 0.267 4 P C -0.465 176.934 177.300 0.164 0.000 1.200 4 P CA -0.391 62.781 63.100 0.121 0.000 0.772 4 P CB 0.269 32.023 31.700 0.090 0.000 0.855 5 Y N 2.682 123.019 120.300 0.061 0.000 2.632 5 Y HA 0.184 4.734 4.550 0.001 0.000 0.329 5 Y C 0.694 176.621 175.900 0.045 0.000 1.174 5 Y CA 0.026 58.164 58.100 0.063 0.000 1.469 5 Y CB -0.074 38.422 38.460 0.060 0.000 1.242 5 Y HN 0.614 nan 8.280 nan 0.000 0.540 6 C N 2.861 121.973 119.300 -0.312 0.000 3.161 6 C HA 0.533 4.994 4.460 0.001 0.000 0.330 6 C C 1.290 176.102 174.990 -0.296 0.000 1.396 6 C CA -0.626 58.265 59.018 -0.213 0.000 1.536 6 C CB 0.751 28.384 27.740 -0.177 0.000 1.978 6 C HN 0.678 nan 8.230 nan 0.000 0.454 7 V N 1.656 121.476 119.914 -0.155 0.000 2.317 7 V HA -0.240 3.881 4.120 0.001 0.000 0.251 7 V C 2.964 179.016 176.094 -0.070 0.000 1.065 7 V CA 3.137 65.379 62.300 -0.097 0.000 1.049 7 V CB -1.578 30.185 31.823 -0.100 0.000 0.651 7 V HN 1.121 nan 8.190 nan 0.000 0.450 8 A N -0.051 122.684 122.820 -0.142 0.000 1.917 8 A HA -0.293 4.027 4.320 0.001 0.000 0.219 8 A C 2.023 179.555 177.584 -0.086 0.000 1.182 8 A CA 2.206 54.242 52.037 -0.001 0.000 0.633 8 A CB -0.639 18.228 19.000 -0.221 0.000 0.819 8 A HN 0.607 nan 8.150 nan 0.000 0.448 9 D N -1.882 118.297 120.400 -0.368 0.000 2.144 9 D HA -0.145 4.496 4.640 0.001 0.000 0.200 9 D C 1.716 177.884 176.300 -0.221 0.000 0.978 9 D CA 1.511 55.272 54.000 -0.397 0.000 0.833 9 D CB -0.442 39.842 40.800 -0.861 0.000 0.961 9 D HN 0.622 nan 8.370 nan 0.000 0.470 10 Y N 1.579 121.693 120.300 -0.310 0.000 2.128 10 Y HA -0.226 4.324 4.550 0.001 0.000 0.284 10 Y C 2.245 178.178 175.900 0.054 0.000 1.154 10 Y CA 1.079 59.193 58.100 0.023 0.000 1.149 10 Y CB -0.361 38.139 38.460 0.066 0.000 0.976 10 Y HN -0.097 nan 8.280 nan 0.000 0.505 11 L N -0.250 121.129 121.223 0.260 0.000 2.012 11 L HA -0.222 4.118 4.340 0.001 0.000 0.210 11 L C 2.044 179.004 176.870 0.151 0.000 1.073 11 L CA 1.691 56.663 54.840 0.220 0.000 0.748 11 L CB -1.223 40.971 42.059 0.224 0.000 0.891 11 L HN 0.259 nan 8.230 nan 0.000 0.431 12 L N -0.259 121.048 121.223 0.139 0.000 2.042 12 L HA -0.229 4.111 4.340 0.001 0.000 0.210 12 L C 2.418 179.313 176.870 0.041 0.000 1.076 12 L CA 1.667 56.565 54.840 0.096 0.000 0.749 12 L CB -1.755 40.326 42.059 0.035 0.000 0.893 12 L HN 0.352 nan 8.230 nan 0.000 0.432 13 D N -0.793 119.610 120.400 0.004 0.000 2.149 13 D HA -0.166 4.475 4.640 0.001 0.000 0.198 13 D C 2.299 178.550 176.300 -0.082 0.000 0.990 13 D CA 0.749 54.729 54.000 -0.034 0.000 0.839 13 D CB 0.081 40.854 40.800 -0.045 0.000 0.948 13 D HN 0.140 nan 8.370 nan 0.000 0.460 14 R N 0.134 120.568 120.500 -0.111 0.000 2.115 14 R HA -0.035 4.306 4.340 0.001 0.000 0.230 14 R C 2.275 178.534 176.300 -0.069 0.000 1.111 14 R CA 0.154 56.193 56.100 -0.103 0.000 0.976 14 R CB -0.929 29.335 30.300 -0.059 0.000 0.870 14 R HN 0.224 nan 8.270 nan 0.000 0.445 15 L N 0.677 121.905 121.223 0.009 0.000 2.012 15 L HA -0.178 4.163 4.340 0.001 0.000 0.210 15 L C 2.565 179.428 176.870 -0.012 0.000 1.073 15 L CA 2.419 57.290 54.840 0.052 0.000 0.748 15 L CB -1.320 40.838 42.059 0.165 0.000 0.891 15 L HN 0.349 nan 8.230 nan 0.000 0.431 16 T N -4.184 110.374 114.554 0.006 0.000 2.746 16 T HA -0.196 4.154 4.350 0.001 0.000 0.267 16 T C 1.653 176.333 174.700 -0.034 0.000 1.039 16 T CA 1.351 63.454 62.100 0.006 0.000 1.142 16 T CB -0.552 68.320 68.868 0.006 0.000 0.866 16 T HN 0.210 nan 8.240 nan 0.000 0.444 17 D N 0.685 121.043 120.400 -0.069 0.000 2.182 17 D HA -0.046 4.595 4.640 0.001 0.000 0.201 17 D C 1.970 178.212 176.300 -0.097 0.000 0.986 17 D CA 0.788 54.740 54.000 -0.080 0.000 0.847 17 D CB -0.688 40.051 40.800 -0.102 0.000 0.942 17 D HN 0.494 nan 8.370 nan 0.000 0.467 18 C N -0.805 118.354 119.300 -0.235 0.000 2.562 18 C HA 0.381 4.842 4.460 0.001 0.000 0.266 18 C C 1.867 176.684 174.990 -0.290 0.000 1.382 18 C CA 0.559 59.300 59.018 -0.460 0.000 1.742 18 C CB -0.661 26.282 27.740 -1.328 0.000 1.812 18 C HN 0.583 nan 8.230 nan 0.000 0.559 19 G N -0.224 108.535 108.800 -0.069 0.000 2.184 19 G HA2 0.045 4.005 3.960 0.001 0.000 0.206 19 G HA3 0.045 4.005 3.960 0.001 0.000 0.206 19 G C 0.001 175.053 174.900 0.252 0.000 0.995 19 G CA 0.038 45.195 45.100 0.095 0.000 0.651 19 G HN 0.819 nan 8.290 nan 0.000 0.511 20 A N 0.124 123.118 122.820 0.290 0.000 2.309 20 A HA 0.691 5.012 4.320 0.001 0.000 0.298 20 A C 0.538 178.283 177.584 0.268 0.000 1.165 20 A CA 0.177 52.468 52.037 0.423 0.000 0.821 20 A CB 0.672 19.947 19.000 0.458 0.000 1.102 20 A HN 0.095 nan 8.150 nan 0.000 0.500 21 D N -0.013 120.592 120.400 0.342 0.000 2.500 21 D HA 0.160 4.801 4.640 0.001 0.000 0.217 21 D C -0.597 175.576 176.300 -0.211 0.000 1.159 21 D CA 0.697 54.754 54.000 0.095 0.000 0.828 21 D CB 0.355 41.224 40.800 0.114 0.000 1.039 21 D HN 0.708 nan 8.370 nan 0.000 0.512 22 H N -0.395 118.625 119.070 -0.084 0.000 2.928 22 H HA 0.597 5.154 4.556 0.001 0.000 0.371 22 H C -1.307 173.758 175.328 -0.438 0.000 1.186 22 H CA -0.774 55.063 56.048 -0.352 0.000 1.134 22 H CB 2.224 31.607 29.762 -0.633 0.000 1.824 22 H HN -0.162 nan 8.280 nan 0.000 0.554 23 L N 2.058 123.088 121.223 -0.323 0.000 2.406 23 L HA 0.504 4.845 4.340 0.001 0.000 0.272 23 L C -1.811 174.793 176.870 -0.443 0.000 0.980 23 L CA -0.355 54.387 54.840 -0.163 0.000 0.831 23 L CB 0.346 42.520 42.059 0.193 0.000 1.253 23 L HN 0.458 nan 8.230 nan 0.000 0.406 24 F N 3.417 123.253 119.950 -0.190 0.000 2.403 24 F HA 0.919 5.447 4.527 0.001 0.000 0.326 24 F C 1.134 176.809 175.800 -0.208 0.000 1.081 24 F CA 0.488 58.298 58.000 -0.316 0.000 1.041 24 F CB 1.878 40.753 39.000 -0.208 0.000 1.234 24 F HN 0.700 nan 8.300 nan 0.000 0.503 25 G N -0.223 108.528 108.800 -0.082 0.000 2.356 25 G HA2 0.408 4.369 3.960 0.001 0.000 0.288 25 G HA3 0.408 4.369 3.960 0.001 0.000 0.288 25 G C -2.248 172.813 174.900 0.269 0.000 1.302 25 G CA -0.287 44.917 45.100 0.174 0.000 0.887 25 G HN 1.194 nan 8.290 nan 0.000 0.521 26 V N -0.528 119.639 119.914 0.422 0.000 2.686 26 V HA 0.904 5.025 4.120 0.001 0.000 0.306 26 V C -2.387 173.925 176.094 0.363 0.000 1.065 26 V CA -1.517 61.020 62.300 0.396 0.000 0.894 26 V CB 2.248 34.190 31.823 0.198 0.000 1.004 26 V HN 0.931 nan 8.190 nan 0.000 0.424 27 P HA 0.483 nan 4.420 nan 0.000 0.270 27 P C 0.015 177.386 177.300 0.117 0.000 1.227 27 P CA 0.534 63.709 63.100 0.124 0.000 0.788 27 P CB 1.013 32.742 31.700 0.049 0.000 0.926 28 G N -0.337 108.518 108.800 0.091 0.000 2.702 28 G HA2 0.210 4.170 3.960 0.001 0.000 0.296 28 G HA3 0.210 4.170 3.960 0.001 0.000 0.296 28 G C 0.229 175.167 174.900 0.062 0.000 1.463 28 G CA -0.164 44.997 45.100 0.102 0.000 0.890 28 G HN 0.453 nan 8.290 nan 0.000 0.534 29 D N 0.188 120.585 120.400 -0.005 0.000 2.248 29 D HA -0.274 4.367 4.640 0.001 0.000 0.189 29 D C 1.400 177.664 176.300 -0.061 0.000 1.011 29 D CA 2.114 56.047 54.000 -0.112 0.000 0.868 29 D CB -0.104 40.536 40.800 -0.267 0.000 0.931 29 D HN 0.408 nan 8.370 nan 0.000 0.449 30 Y N -0.294 120.104 120.300 0.163 0.000 2.578 30 Y HA 0.116 4.666 4.550 0.001 0.000 0.297 30 Y C 1.250 177.197 175.900 0.078 0.000 1.176 30 Y CA 0.929 59.089 58.100 0.101 0.000 1.315 30 Y CB -0.689 37.830 38.460 0.098 0.000 1.031 30 Y HN 0.273 nan 8.280 nan 0.000 0.524 31 N N -2.505 116.318 118.700 0.205 0.000 2.143 31 N HA 0.038 4.779 4.740 0.001 0.000 0.222 31 N C 0.813 176.409 175.510 0.143 0.000 1.264 31 N CA 0.123 53.283 53.050 0.183 0.000 0.897 31 N CB -0.584 38.011 38.487 0.181 0.000 1.092 31 N HN -0.003 nan 8.380 nan 0.000 0.516 32 L N 1.125 122.392 121.223 0.075 0.000 2.012 32 L HA -0.077 4.263 4.340 0.001 0.000 0.210 32 L C 2.399 179.274 176.870 0.009 0.000 1.073 32 L CA 1.820 56.661 54.840 0.002 0.000 0.748 32 L CB -1.056 40.999 42.059 -0.007 0.000 0.891 32 L HN 0.333 nan 8.230 nan 0.000 0.431 33 Q N -1.835 118.006 119.800 0.068 0.000 2.124 33 Q HA -0.229 4.112 4.340 0.001 0.000 0.202 33 Q C 2.287 178.385 176.000 0.164 0.000 0.977 33 Q CA 1.544 57.396 55.803 0.083 0.000 0.850 33 Q CB -0.432 28.368 28.738 0.103 0.000 0.901 33 Q HN 0.464 nan 8.270 nan 0.000 0.429 34 F N 1.371 121.350 119.950 0.050 0.000 2.186 34 F HA -0.178 4.350 4.527 0.001 0.000 0.299 34 F C 1.831 177.649 175.800 0.029 0.000 1.090 34 F CA 0.631 58.671 58.000 0.067 0.000 1.307 34 F CB -0.150 38.856 39.000 0.009 0.000 1.019 34 F HN -0.019 nan 8.300 nan 0.000 0.489 35 L N 0.847 121.982 121.223 -0.148 0.000 2.079 35 L HA -0.240 4.100 4.340 0.001 0.000 0.210 35 L C 2.075 178.730 176.870 -0.359 0.000 1.081 35 L CA 1.671 56.284 54.840 -0.379 0.000 0.752 35 L CB -1.446 40.373 42.059 -0.400 0.000 0.896 35 L HN 0.160 nan 8.230 nan 0.000 0.433 36 D N -1.547 118.701 120.400 -0.254 0.000 2.123 36 D HA -0.211 4.429 4.640 0.001 0.000 0.196 36 D C 2.086 178.182 176.300 -0.340 0.000 0.992 36 D CA 1.203 55.036 54.000 -0.279 0.000 0.833 36 D CB -0.149 40.477 40.800 -0.289 0.000 0.954 36 D HN 0.467 nan 8.370 nan 0.000 0.455 37 H N 0.100 118.995 119.070 -0.291 0.000 2.353 37 H HA -0.078 4.479 4.556 0.001 0.000 0.300 37 H C 2.376 177.520 175.328 -0.307 0.000 1.090 37 H CA 1.216 57.090 56.048 -0.289 0.000 1.327 37 H CB -0.325 29.238 29.762 -0.331 0.000 1.383 37 H HN 0.081 nan 8.280 nan 0.000 0.508 38 V N 0.707 120.427 119.914 -0.322 0.000 2.515 38 V HA -0.140 3.980 4.120 0.001 0.000 0.250 38 V C 2.222 178.237 176.094 -0.131 0.000 1.058 38 V CA 1.209 63.368 62.300 -0.234 0.000 1.064 38 V CB -0.627 31.041 31.823 -0.258 0.000 0.675 38 V HN 0.263 nan 8.190 nan 0.000 0.461 39 I N 0.382 120.854 120.570 -0.163 0.000 2.353 39 I HA -0.112 4.058 4.170 0.001 0.000 0.248 39 I C 2.112 178.177 176.117 -0.087 0.000 1.119 39 I CA 1.784 63.022 61.300 -0.103 0.000 1.417 39 I CB -0.394 37.528 38.000 -0.129 0.000 1.078 39 I HN 0.349 nan 8.210 nan 0.000 0.421 40 D N 0.276 120.605 120.400 -0.117 0.000 2.317 40 D HA -0.041 4.600 4.640 0.001 0.000 0.211 40 D C 1.166 177.433 176.300 -0.054 0.000 0.966 40 D CA 0.392 54.337 54.000 -0.091 0.000 0.876 40 D CB 0.036 40.760 40.800 -0.127 0.000 0.927 40 D HN 0.087 nan 8.370 nan 0.000 0.519 41 S N 1.571 117.239 115.700 -0.053 0.000 2.549 41 S HA 0.093 4.563 4.470 0.001 0.000 0.283 41 S C -1.501 173.083 174.600 -0.026 0.000 1.320 41 S CA -1.053 57.131 58.200 -0.027 0.000 1.058 41 S CB 1.344 64.525 63.200 -0.032 0.000 0.882 41 S HN -0.039 nan 8.310 nan 0.000 0.498 42 P HA 0.222 nan 4.420 nan 0.000 0.261 42 P C -0.108 177.178 177.300 -0.025 0.000 1.268 42 P CA 0.248 63.337 63.100 -0.017 0.000 0.833 42 P CB 0.308 32.005 31.700 -0.006 0.000 1.231 43 D N -0.625 119.761 120.400 -0.024 0.000 2.423 43 D HA 0.140 4.780 4.640 0.001 0.000 0.208 43 D C 0.593 176.861 176.300 -0.054 0.000 1.068 43 D CA 0.355 54.338 54.000 -0.029 0.000 0.860 43 D CB 1.106 41.902 40.800 -0.007 0.000 0.992 43 D HN 0.163 nan 8.370 nan 0.000 0.504 44 I N 1.352 121.887 120.570 -0.058 0.000 2.406 44 I HA 0.166 4.337 4.170 0.001 0.000 0.290 44 I C -0.209 175.847 176.117 -0.102 0.000 0.999 44 I CA -0.774 60.479 61.300 -0.078 0.000 1.124 44 I CB 1.794 39.784 38.000 -0.018 0.000 1.289 44 I HN -0.081 nan 8.210 nan 0.000 0.441 45 C N 7.708 126.881 119.300 -0.211 0.000 2.295 45 C HA 0.412 4.872 4.460 0.001 0.000 0.331 45 C C 0.101 175.064 174.990 -0.044 0.000 1.280 45 C CA -0.585 58.339 59.018 -0.156 0.000 1.746 45 C CB 0.405 27.955 27.740 -0.316 0.000 2.328 45 C HN 0.880 nan 8.230 nan 0.000 0.521 46 W N 6.696 127.922 121.300 -0.124 0.000 2.266 46 W HA 0.555 5.216 4.660 0.001 0.000 0.317 46 W C -1.503 174.969 176.519 -0.079 0.000 1.310 46 W CA -0.336 56.949 57.345 -0.101 0.000 1.207 46 W CB 1.146 30.570 29.460 -0.061 0.000 1.199 46 W HN 0.523 nan 8.180 nan 0.000 0.544 47 V N 6.956 126.228 119.914 -1.071 0.000 2.340 47 V HA 0.285 4.405 4.120 0.001 0.000 0.277 47 V C 0.775 176.197 176.094 -1.120 0.000 1.017 47 V CA -0.699 61.084 62.300 -0.861 0.000 0.820 47 V CB 0.602 31.986 31.823 -0.732 0.000 1.028 47 V HN 0.697 nan 8.190 nan 0.000 0.436 48 G N 2.611 110.855 108.800 -0.927 0.000 2.403 48 G HA2 0.421 4.382 3.960 0.001 0.000 0.259 48 G HA3 0.421 4.382 3.960 0.001 0.000 0.259 48 G C -0.102 174.743 174.900 -0.091 0.000 1.244 48 G CA -0.042 44.822 45.100 -0.393 0.000 0.849 48 G HN 0.715 nan 8.290 nan 0.000 0.532 49 C N 0.747 120.038 119.300 -0.016 0.000 2.531 49 C HA 0.682 5.143 4.460 0.001 0.000 0.369 49 C C 1.995 176.982 174.990 -0.005 0.000 1.258 49 C CA 0.277 59.294 59.018 -0.002 0.000 1.876 49 C CB 1.538 29.302 27.740 0.040 0.000 2.256 49 C HN 0.924 nan 8.230 nan 0.000 0.510 50 A N 1.198 123.989 122.820 -0.048 0.000 1.898 50 A HA 0.007 4.328 4.320 0.001 0.000 0.216 50 A C 0.588 178.171 177.584 -0.002 0.000 1.181 50 A CA 2.100 54.120 52.037 -0.028 0.000 0.620 50 A CB -0.535 18.435 19.000 -0.050 0.000 0.819 50 A HN 1.032 nan 8.150 nan 0.000 0.442 51 N N -2.427 116.268 118.700 -0.008 0.000 2.610 51 N HA 0.271 5.011 4.740 0.001 0.000 0.264 51 N C -0.075 175.423 175.510 -0.021 0.000 1.348 51 N CA -0.134 52.913 53.050 -0.005 0.000 0.819 51 N CB 0.535 39.015 38.487 -0.012 0.000 1.521 51 N HN 0.026 nan 8.380 nan 0.000 0.497 52 E N 0.055 120.239 120.200 -0.025 0.000 2.347 52 E HA -0.089 4.261 4.350 0.001 0.000 0.196 52 E C 1.154 177.672 176.600 -0.137 0.000 1.008 52 E CA 0.268 56.638 56.400 -0.050 0.000 0.852 52 E CB -0.109 29.578 29.700 -0.022 0.000 0.783 52 E HN 0.607 nan 8.360 nan 0.000 0.505 53 L N 1.436 122.559 121.223 -0.167 0.000 2.027 53 L HA -0.139 4.201 4.340 0.001 0.000 0.206 53 L C 1.775 178.370 176.870 -0.459 0.000 1.074 53 L CA 1.596 56.235 54.840 -0.334 0.000 0.745 53 L CB -0.484 41.416 42.059 -0.266 0.000 0.898 53 L HN 0.137 nan 8.230 nan 0.000 0.433 54 N N -0.186 118.386 118.700 -0.213 0.000 2.104 54 N HA -0.189 4.552 4.740 0.001 0.000 0.190 54 N C 1.889 177.346 175.510 -0.088 0.000 1.024 54 N CA 1.180 54.184 53.050 -0.077 0.000 0.853 54 N CB -0.114 38.366 38.487 -0.012 0.000 1.008 54 N HN 0.429 nan 8.380 nan 0.000 0.424 55 A N 1.335 124.098 122.820 -0.095 0.000 1.883 55 A HA -0.225 4.096 4.320 0.001 0.000 0.217 55 A C 2.389 179.867 177.584 -0.177 0.000 1.186 55 A CA 2.194 54.180 52.037 -0.084 0.000 0.624 55 A CB -0.921 18.073 19.000 -0.010 0.000 0.822 55 A HN 0.460 nan 8.150 nan 0.000 0.444 56 S N -1.430 114.149 115.700 -0.201 0.000 2.382 56 S HA -0.195 4.275 4.470 0.001 0.000 0.228 56 S C 1.903 176.457 174.600 -0.077 0.000 1.027 56 S CA 1.521 59.604 58.200 -0.196 0.000 0.991 56 S CB -0.775 62.275 63.200 -0.250 0.000 0.823 56 S HN 0.510 nan 8.310 nan 0.000 0.469 57 Y N 2.411 122.663 120.300 -0.079 0.000 2.200 57 Y HA 0.201 4.751 4.550 0.001 0.000 0.290 57 Y C 3.055 178.811 175.900 -0.240 0.000 1.137 57 Y CA -0.132 57.924 58.100 -0.074 0.000 1.163 57 Y CB -1.412 36.980 38.460 -0.114 0.000 0.988 57 Y HN 0.390 nan 8.280 nan 0.000 0.518 58 A N 0.134 122.857 122.820 -0.162 0.000 1.883 58 A HA -0.140 4.181 4.320 0.001 0.000 0.217 58 A C 2.530 179.699 177.584 -0.692 0.000 1.186 58 A CA 2.111 53.873 52.037 -0.459 0.000 0.624 58 A CB -1.226 17.415 19.000 -0.598 0.000 0.822 58 A HN 0.380 nan 8.150 nan 0.000 0.444 59 A N -0.348 122.072 122.820 -0.667 0.000 1.933 59 A HA -0.220 4.100 4.320 0.001 0.000 0.218 59 A C 1.967 179.487 177.584 -0.106 0.000 1.175 59 A CA 1.921 53.721 52.037 -0.394 0.000 0.628 59 A CB -0.606 18.283 19.000 -0.184 0.000 0.814 59 A HN 0.593 nan 8.150 nan 0.000 0.444 60 D N -0.243 120.133 120.400 -0.040 0.000 2.097 60 D HA -0.121 4.519 4.640 0.001 0.000 0.195 60 D C 2.090 178.444 176.300 0.090 0.000 0.989 60 D CA 1.723 55.774 54.000 0.084 0.000 0.827 60 D CB -0.439 40.522 40.800 0.268 0.000 0.966 60 D HN 0.336 nan 8.370 nan 0.000 0.456 61 G N -0.726 108.084 108.800 0.017 0.000 2.418 61 G HA2 -0.315 3.646 3.960 0.001 0.000 0.217 61 G HA3 -0.315 3.646 3.960 0.001 0.000 0.217 61 G C 1.639 176.547 174.900 0.014 0.000 1.158 61 G CA 0.904 45.993 45.100 -0.018 0.000 0.771 61 G HN 0.369 nan 8.290 nan 0.000 0.545 62 Y N 1.957 122.179 120.300 -0.131 0.000 2.145 62 Y HA -0.014 4.537 4.550 0.001 0.000 0.286 62 Y C 2.908 178.810 175.900 0.004 0.000 1.145 62 Y CA 1.459 59.529 58.100 -0.050 0.000 1.148 62 Y CB -0.351 38.131 38.460 0.037 0.000 0.981 62 Y HN 0.239 nan 8.280 nan 0.000 0.507 63 A N 0.397 123.365 122.820 0.247 0.000 2.015 63 A HA -0.147 4.174 4.320 0.001 0.000 0.219 63 A C 2.170 179.793 177.584 0.066 0.000 1.163 63 A CA 1.384 53.514 52.037 0.156 0.000 0.646 63 A CB -0.536 18.504 19.000 0.066 0.000 0.806 63 A HN 0.527 nan 8.150 nan 0.000 0.448 64 R N -1.371 119.158 120.500 0.048 0.000 2.316 64 R HA -0.005 4.336 4.340 0.001 0.000 0.202 64 R C 1.273 177.566 176.300 -0.012 0.000 1.029 64 R CA 0.936 57.054 56.100 0.030 0.000 1.018 64 R CB -0.367 29.964 30.300 0.051 0.000 0.888 64 R HN 0.628 nan 8.270 nan 0.000 0.471 65 C N -0.722 118.543 119.300 -0.059 0.000 2.464 65 C HA 0.170 4.630 4.460 0.001 0.000 0.348 65 C C 1.683 176.602 174.990 -0.120 0.000 1.367 65 C CA 0.028 58.981 59.018 -0.109 0.000 2.012 65 C CB 0.206 27.837 27.740 -0.181 0.000 2.434 65 C HN 0.329 nan 8.230 nan 0.000 0.536 66 K N 0.582 120.898 120.400 -0.140 0.000 2.358 66 K HA 0.292 4.613 4.320 0.001 0.000 0.200 66 K C 1.318 177.951 176.600 0.055 0.000 1.030 66 K CA 0.767 57.011 56.287 -0.072 0.000 1.097 66 K CB 0.488 32.898 32.500 -0.151 0.000 0.862 66 K HN 0.463 nan 8.250 nan 0.000 0.534 67 G N 1.723 110.561 108.800 0.064 0.000 2.184 67 G HA2 -0.310 3.650 3.960 0.001 0.000 0.264 67 G HA3 -0.310 3.650 3.960 0.001 0.000 0.264 67 G C -0.117 174.922 174.900 0.231 0.000 0.975 67 G CA 0.405 45.563 45.100 0.097 0.000 0.642 67 G HN 0.344 nan 8.290 nan 0.000 0.536 68 F N -0.073 119.943 119.950 0.111 0.000 2.708 68 F HA 0.647 5.174 4.527 0.001 0.000 0.309 68 F C -0.675 175.286 175.800 0.269 0.000 1.120 68 F CA 0.173 58.263 58.000 0.149 0.000 0.978 68 F CB 1.059 40.131 39.000 0.120 0.000 1.283 68 F HN 0.875 nan 8.300 nan 0.000 0.439 69 A N 2.646 125.235 122.820 -0.385 0.000 2.609 69 A HA 0.996 5.317 4.320 0.001 0.000 0.291 69 A C -1.992 175.443 177.584 -0.248 0.000 1.096 69 A CA -0.271 51.720 52.037 -0.076 0.000 0.684 69 A CB 1.401 20.430 19.000 0.048 0.000 1.282 69 A HN 1.783 nan 8.150 nan 0.000 0.412 70 A N -0.037 122.782 122.820 -0.002 0.000 2.414 70 A HA 0.777 5.098 4.320 0.001 0.000 0.306 70 A C -1.462 176.195 177.584 0.122 0.000 1.054 70 A CA -0.416 51.664 52.037 0.072 0.000 0.724 70 A CB 1.404 20.523 19.000 0.199 0.000 1.267 70 A HN 2.068 nan 8.150 nan 0.000 0.418 71 L N 2.468 123.760 121.223 0.114 0.000 2.365 71 L HA 0.763 5.104 4.340 0.001 0.000 0.273 71 L C -1.496 175.504 176.870 0.216 0.000 1.000 71 L CA -0.576 54.337 54.840 0.122 0.000 0.819 71 L CB 1.786 43.810 42.059 -0.058 0.000 1.284 71 L HN 0.693 nan 8.230 nan 0.000 0.418 72 L N 5.302 126.696 121.223 0.285 0.000 2.372 72 L HA 0.687 5.028 4.340 0.001 0.000 0.274 72 L C -0.790 176.271 176.870 0.319 0.000 0.988 72 L CA 0.137 55.179 54.840 0.338 0.000 0.833 72 L CB 1.405 43.756 42.059 0.487 0.000 1.236 72 L HN 0.973 nan 8.230 nan 0.000 0.410 73 T N 0.720 115.438 114.554 0.272 0.000 2.858 73 T HA 0.514 4.865 4.350 0.001 0.000 0.285 73 T C -0.180 174.632 174.700 0.187 0.000 1.052 73 T CA -0.567 61.674 62.100 0.235 0.000 1.009 73 T CB 2.093 71.123 68.868 0.270 0.000 1.241 73 T HN 0.517 nan 8.240 nan 0.000 0.542 74 T N 0.159 114.812 114.554 0.166 0.000 2.925 74 T HA 0.537 4.888 4.350 0.001 0.000 0.285 74 T C -0.630 174.200 174.700 0.216 0.000 1.021 74 T CA -0.778 61.455 62.100 0.221 0.000 1.042 74 T CB 0.213 69.209 68.868 0.215 0.000 1.037 74 T HN 0.527 nan 8.240 nan 0.000 0.481 75 F N 3.749 123.819 119.950 0.201 0.000 2.623 75 F HA 0.288 4.815 4.527 0.001 0.000 0.381 75 F C 1.539 177.366 175.800 0.046 0.000 1.081 75 F CA 2.015 60.121 58.000 0.177 0.000 1.293 75 F CB -0.236 38.903 39.000 0.231 0.000 1.006 75 F HN 0.976 nan 8.300 nan 0.000 0.578 76 G N 3.866 112.214 108.800 -0.753 0.000 4.430 76 G HA2 -0.414 3.547 3.960 0.001 0.000 0.332 76 G HA3 -0.414 3.547 3.960 0.001 0.000 0.332 76 G C 1.157 175.671 174.900 -0.643 0.000 1.338 76 G CA 1.549 45.993 45.100 -1.094 0.000 1.024 76 G HN 1.619 nan 8.290 nan 0.000 0.750 77 V N 0.000 119.659 119.914 -0.426 0.000 2.392 77 V HA 0.165 4.286 4.120 0.001 0.000 0.249 77 V C 2.762 178.729 176.094 -0.211 0.000 1.059 77 V CA 2.935 65.047 62.300 -0.313 0.000 1.051 77 V CB -1.516 30.091 31.823 -0.360 0.000 0.658 77 V HN 1.625 nan 8.190 nan 0.000 0.455 78 G N 1.424 110.125 108.800 -0.166 0.000 2.424 78 G HA2 -0.203 3.757 3.960 0.001 0.000 0.214 78 G HA3 -0.203 3.757 3.960 0.001 0.000 0.214 78 G C 1.481 176.377 174.900 -0.007 0.000 1.202 78 G CA 0.894 45.967 45.100 -0.044 0.000 0.793 78 G HN 0.782 nan 8.290 nan 0.000 0.534 79 E N 0.526 120.727 120.200 0.001 0.000 2.085 79 E HA -0.115 4.236 4.350 0.001 0.000 0.194 79 E C 2.426 179.057 176.600 0.051 0.000 0.994 79 E CA 0.919 57.396 56.400 0.128 0.000 0.801 79 E CB -0.562 29.165 29.700 0.045 0.000 0.743 79 E HN 0.415 nan 8.360 nan 0.000 0.453 80 L N 1.180 122.326 121.223 -0.128 0.000 2.131 80 L HA -0.108 4.233 4.340 0.001 0.000 0.210 80 L C 2.541 179.373 176.870 -0.064 0.000 1.092 80 L CA 1.090 55.862 54.840 -0.114 0.000 0.759 80 L CB -0.356 41.569 42.059 -0.223 0.000 0.903 80 L HN 0.175 nan 8.230 nan 0.000 0.435 81 S N -0.114 115.543 115.700 -0.072 0.000 2.447 81 S HA -0.069 4.401 4.470 0.001 0.000 0.233 81 S C 1.868 176.423 174.600 -0.076 0.000 1.006 81 S CA 1.078 59.240 58.200 -0.063 0.000 0.957 81 S CB -0.042 63.121 63.200 -0.061 0.000 0.773 81 S HN 0.497 nan 8.310 nan 0.000 0.507 82 A N 0.608 123.387 122.820 -0.068 0.000 2.308 82 A HA 0.294 4.614 4.320 0.001 0.000 0.217 82 A C 1.831 179.363 177.584 -0.088 0.000 1.216 82 A CA -0.008 51.951 52.037 -0.129 0.000 0.864 82 A CB -0.306 18.566 19.000 -0.214 0.000 0.902 82 A HN 0.312 nan 8.150 nan 0.000 0.499 83 M N 0.215 119.805 119.600 -0.017 0.000 2.088 83 M HA -0.250 4.230 4.480 0.001 0.000 0.256 83 M C 2.072 178.376 176.300 0.007 0.000 1.071 83 M CA 1.999 57.304 55.300 0.010 0.000 1.097 83 M CB -1.095 31.520 32.600 0.025 0.000 1.315 83 M HN 0.744 nan 8.290 nan 0.000 0.406 84 N N -0.061 118.674 118.700 0.058 0.000 2.205 84 N HA -0.133 4.607 4.740 0.001 0.000 0.186 84 N C 1.715 177.324 175.510 0.165 0.000 1.015 84 N CA 1.323 54.495 53.050 0.204 0.000 0.862 84 N CB -0.000 38.648 38.487 0.268 0.000 0.986 84 N HN 0.376 nan 8.380 nan 0.000 0.429 85 G N 1.470 110.272 108.800 0.003 0.000 2.404 85 G HA2 -0.119 3.842 3.960 0.001 0.000 0.214 85 G HA3 -0.119 3.842 3.960 0.001 0.000 0.214 85 G C 1.529 176.402 174.900 -0.046 0.000 1.189 85 G CA 0.224 45.333 45.100 0.015 0.000 0.789 85 G HN 0.194 nan 8.290 nan 0.000 0.533 86 I N 2.123 122.635 120.570 -0.096 0.000 2.208 86 I HA -0.155 4.016 4.170 0.001 0.000 0.245 86 I C 3.267 179.285 176.117 -0.166 0.000 1.097 86 I CA 1.204 62.451 61.300 -0.089 0.000 1.363 86 I CB -1.348 36.641 38.000 -0.018 0.000 1.051 86 I HN 0.257 nan 8.210 nan 0.000 0.413 87 A N 1.047 123.694 122.820 -0.289 0.000 1.908 87 A HA -0.138 4.183 4.320 0.001 0.000 0.218 87 A C 2.536 179.540 177.584 -0.966 0.000 1.181 87 A CA 2.034 53.712 52.037 -0.599 0.000 0.627 87 A CB -1.371 17.205 19.000 -0.706 0.000 0.818 87 A HN 0.431 nan 8.150 nan 0.000 0.445 88 G N -0.905 107.263 108.800 -1.054 0.000 2.418 88 G HA2 -0.139 3.821 3.960 0.001 0.000 0.217 88 G HA3 -0.139 3.821 3.960 0.001 0.000 0.217 88 G C 1.825 176.516 174.900 -0.348 0.000 1.158 88 G CA 1.299 45.846 45.100 -0.922 0.000 0.771 88 G HN 0.489 nan 8.290 nan 0.000 0.545 89 S N -0.328 115.257 115.700 -0.192 0.000 2.370 89 S HA -0.157 4.313 4.470 0.001 0.000 0.226 89 S C 1.969 176.510 174.600 -0.098 0.000 1.033 89 S CA 1.291 59.439 58.200 -0.088 0.000 1.011 89 S CB -0.436 62.737 63.200 -0.045 0.000 0.852 89 S HN 0.524 nan 8.310 nan 0.000 0.457 90 Y N 2.214 122.369 120.300 -0.241 0.000 2.200 90 Y HA -0.085 4.466 4.550 0.001 0.000 0.290 90 Y C 2.402 178.158 175.900 -0.240 0.000 1.137 90 Y CA 0.978 58.934 58.100 -0.241 0.000 1.163 90 Y CB -0.706 37.610 38.460 -0.241 0.000 0.988 90 Y HN 0.214 nan 8.280 nan 0.000 0.518 91 A N 0.134 122.912 122.820 -0.069 0.000 1.933 91 A HA -0.148 4.173 4.320 0.001 0.000 0.218 91 A C 1.740 179.350 177.584 0.044 0.000 1.175 91 A CA 1.848 53.883 52.037 -0.004 0.000 0.628 91 A CB -0.435 18.565 19.000 -0.001 0.000 0.814 91 A HN 0.619 nan 8.150 nan 0.000 0.444 92 E N -1.111 119.095 120.200 0.010 0.000 2.499 92 E HA 0.162 4.513 4.350 0.001 0.000 0.199 92 E C -0.878 175.942 176.600 0.365 0.000 1.016 92 E CA -0.372 56.092 56.400 0.106 0.000 0.933 92 E CB -0.002 29.659 29.700 -0.063 0.000 1.050 92 E HN 0.694 nan 8.360 nan 0.000 0.462 93 H N -0.669 118.430 119.070 0.049 0.000 2.748 93 H HA -0.129 4.427 4.556 0.001 0.000 0.322 93 H C -0.930 174.400 175.328 0.003 0.000 1.208 93 H CA 0.277 56.331 56.048 0.009 0.000 1.151 93 H CB -1.976 27.830 29.762 0.074 0.000 1.505 93 H HN -0.047 nan 8.280 nan 0.000 0.429 94 V N 2.164 122.094 119.914 0.027 0.000 2.357 94 V HA 0.290 4.411 4.120 0.001 0.000 0.284 94 V C -1.726 174.344 176.094 -0.041 0.000 1.018 94 V CA -1.575 60.734 62.300 0.016 0.000 0.841 94 V CB 1.903 33.742 31.823 0.026 0.000 0.991 94 V HN 0.181 nan 8.190 nan 0.000 0.437 95 P HA 0.139 nan 4.420 nan 0.000 0.263 95 P C -0.588 176.518 177.300 -0.324 0.000 1.601 95 P CA 0.203 63.233 63.100 -0.117 0.000 1.161 95 P CB 0.617 32.311 31.700 -0.010 0.000 1.730 96 V N 5.450 125.225 119.914 -0.231 0.000 2.417 96 V HA 0.235 4.356 4.120 0.001 0.000 0.291 96 V C 0.347 176.333 176.094 -0.178 0.000 1.024 96 V CA -0.954 61.191 62.300 -0.260 0.000 0.861 96 V CB 1.920 33.667 31.823 -0.126 0.000 0.985 96 V HN 0.304 nan 8.190 nan 0.000 0.436 97 L N 5.065 126.161 121.223 -0.213 0.000 2.276 97 L HA 0.471 4.812 4.340 0.001 0.000 0.286 97 L C -0.198 176.725 176.870 0.088 0.000 1.061 97 L CA 0.239 55.080 54.840 0.003 0.000 0.807 97 L CB 0.614 42.743 42.059 0.116 0.000 1.177 97 L HN 0.758 nan 8.230 nan 0.000 0.429 98 H N 5.826 124.884 119.070 -0.019 0.000 2.581 98 H HA 0.480 5.037 4.556 0.001 0.000 0.308 98 H C -0.930 174.283 175.328 -0.191 0.000 1.040 98 H CA -0.880 55.126 56.048 -0.070 0.000 1.231 98 H CB 0.789 30.527 29.762 -0.040 0.000 1.396 98 H HN 0.654 nan 8.280 nan 0.000 0.467 99 I N 6.297 126.912 120.570 0.076 0.000 2.354 99 I HA 0.151 4.321 4.170 0.001 0.000 0.292 99 I C -0.519 175.497 176.117 -0.169 0.000 0.989 99 I CA -0.809 60.410 61.300 -0.136 0.000 1.188 99 I CB 1.807 39.764 38.000 -0.071 0.000 1.342 99 I HN 0.297 nan 8.210 nan 0.000 0.457 100 V N 6.249 125.954 119.914 -0.347 0.000 2.444 100 V HA 0.705 4.826 4.120 0.001 0.000 0.294 100 V C 0.322 176.366 176.094 -0.083 0.000 1.022 100 V CA -0.254 61.929 62.300 -0.194 0.000 0.850 100 V CB 1.407 33.052 31.823 -0.297 0.000 0.992 100 V HN 0.820 nan 8.190 nan 0.000 0.426 101 G N 5.246 114.054 108.800 0.013 0.000 2.378 101 G HA2 0.624 4.585 3.960 0.001 0.000 0.255 101 G HA3 0.624 4.585 3.960 0.001 0.000 0.255 101 G C -0.072 174.901 174.900 0.123 0.000 1.270 101 G CA 0.340 45.465 45.100 0.041 0.000 0.876 101 G HN 1.597 nan 8.290 nan 0.000 0.521 102 A N 4.124 126.915 122.820 -0.048 0.000 2.485 102 A HA 0.958 5.279 4.320 0.001 0.000 0.292 102 A C -2.721 174.482 177.584 -0.636 0.000 1.147 102 A CA -1.627 50.212 52.037 -0.329 0.000 0.750 102 A CB 1.558 20.419 19.000 -0.233 0.000 1.331 102 A HN 0.518 nan 8.150 nan 0.000 0.419 103 P HA 0.248 nan 4.420 nan 0.000 0.270 103 P C 0.467 177.454 177.300 -0.523 0.000 1.227 103 P CA 0.382 62.936 63.100 -0.910 0.000 0.788 103 P CB 0.425 31.532 31.700 -0.989 0.000 0.926 104 G N -0.024 108.573 108.800 -0.339 0.000 2.554 104 G HA2 0.149 4.110 3.960 0.001 0.000 0.238 104 G HA3 0.149 4.110 3.960 0.001 0.000 0.238 104 G C 1.275 175.981 174.900 -0.323 0.000 1.259 104 G CA 0.169 45.115 45.100 -0.258 0.000 0.843 104 G HN 0.570 nan 8.290 nan 0.000 0.582 105 T N -0.424 113.975 114.554 -0.259 0.000 2.699 105 T HA -0.185 4.165 4.350 0.001 0.000 0.268 105 T C 2.535 177.084 174.700 -0.251 0.000 1.036 105 T CA 1.973 63.918 62.100 -0.259 0.000 1.147 105 T CB -0.370 68.386 68.868 -0.186 0.000 0.862 105 T HN 0.755 nan 8.240 nan 0.000 0.446 106 A N 2.074 124.775 122.820 -0.198 0.000 1.877 106 A HA 0.335 4.656 4.320 0.001 0.000 0.216 106 A C 2.883 180.344 177.584 -0.204 0.000 1.186 106 A CA 1.988 53.926 52.037 -0.165 0.000 0.620 106 A CB -1.461 17.468 19.000 -0.117 0.000 0.822 106 A HN 0.803 nan 8.150 nan 0.000 0.443 107 A N -0.757 121.914 122.820 -0.248 0.000 1.933 107 A HA -0.218 4.103 4.320 0.001 0.000 0.218 107 A C 2.124 179.425 177.584 -0.473 0.000 1.175 107 A CA 1.677 53.546 52.037 -0.281 0.000 0.628 107 A CB -0.536 18.302 19.000 -0.271 0.000 0.814 107 A HN 0.676 nan 8.150 nan 0.000 0.444 108 Q N -1.223 118.155 119.800 -0.703 0.000 2.079 108 Q HA -0.170 4.171 4.340 0.001 0.000 0.200 108 Q C 2.288 178.020 176.000 -0.446 0.000 0.974 108 Q CA 1.211 56.374 55.803 -1.067 0.000 0.840 108 Q CB -0.188 27.978 28.738 -0.954 0.000 0.898 108 Q HN 0.558 nan 8.270 nan 0.000 0.430 109 Q N 0.743 120.376 119.800 -0.279 0.000 2.124 109 Q HA -0.127 4.213 4.340 0.001 0.000 0.202 109 Q C 1.844 177.794 176.000 -0.084 0.000 0.977 109 Q CA 1.387 57.105 55.803 -0.141 0.000 0.850 109 Q CB -0.098 28.569 28.738 -0.120 0.000 0.901 109 Q HN 0.228 nan 8.270 nan 0.000 0.429 110 R N -0.859 119.583 120.500 -0.097 0.000 2.237 110 R HA -0.029 4.312 4.340 0.001 0.000 0.219 110 R C 0.958 177.272 176.300 0.024 0.000 1.080 110 R CA 0.688 56.765 56.100 -0.039 0.000 0.995 110 R CB -0.180 30.091 30.300 -0.048 0.000 0.875 110 R HN 0.400 nan 8.270 nan 0.000 0.462 111 G N 1.674 110.524 108.800 0.083 0.000 2.295 111 G HA2 -0.311 3.650 3.960 0.001 0.000 0.287 111 G HA3 -0.311 3.650 3.960 0.001 0.000 0.287 111 G C -0.568 174.456 174.900 0.206 0.000 1.055 111 G CA 0.281 45.522 45.100 0.235 0.000 0.922 111 G HN 0.411 nan 8.290 nan 0.000 0.503 112 E N -0.963 119.368 120.200 0.219 0.000 2.374 112 E HA 0.395 4.746 4.350 0.001 0.000 0.260 112 E C 0.900 177.612 176.600 0.186 0.000 1.101 112 E CA -0.651 55.845 56.400 0.160 0.000 0.907 112 E CB 0.782 30.547 29.700 0.110 0.000 1.014 112 E HN 0.269 nan 8.360 nan 0.000 0.427 113 L N 3.223 124.517 121.223 0.118 0.000 2.391 113 L HA 0.100 4.441 4.340 0.001 0.000 0.249 113 L C -0.592 176.355 176.870 0.128 0.000 1.308 113 L CA -0.419 54.481 54.840 0.099 0.000 1.209 113 L CB -0.561 41.543 42.059 0.075 0.000 1.401 113 L HN 0.217 nan 8.230 nan 0.000 0.416 114 L N 1.262 122.584 121.223 0.164 0.000 2.399 114 L HA 0.232 4.573 4.340 0.001 0.000 0.266 114 L C 0.578 177.531 176.870 0.138 0.000 1.114 114 L CA -0.310 54.628 54.840 0.163 0.000 0.804 114 L CB 0.808 42.982 42.059 0.192 0.000 1.146 114 L HN 0.440 nan 8.230 nan 0.000 0.451 115 H N 0.613 119.754 119.070 0.119 0.000 2.771 115 H HA 0.251 4.808 4.556 0.001 0.000 0.364 115 H C -0.187 175.243 175.328 0.171 0.000 1.133 115 H CA -0.135 55.924 56.048 0.018 0.000 1.423 115 H CB 0.129 29.750 29.762 -0.234 0.000 1.425 115 H HN 0.618 nan 8.280 nan 0.000 0.606 116 H N -1.627 117.632 119.070 0.316 0.000 3.049 116 H HA -0.172 4.385 4.556 0.001 0.000 0.250 116 H C -0.122 175.454 175.328 0.412 0.000 1.219 116 H CA 0.890 57.136 56.048 0.329 0.000 1.117 116 H CB -2.371 27.660 29.762 0.449 0.000 1.251 116 H HN 1.019 nan 8.280 nan 0.000 0.338 117 T N -3.424 111.387 114.554 0.429 0.000 2.910 117 T HA 0.557 4.907 4.350 0.001 0.000 0.287 117 T C 1.053 175.908 174.700 0.259 0.000 1.050 117 T CA -1.080 61.243 62.100 0.371 0.000 1.011 117 T CB 1.641 70.558 68.868 0.082 0.000 1.195 117 T HN -0.067 nan 8.240 nan 0.000 0.540 118 L N 1.156 122.499 121.223 0.201 0.000 2.610 118 L HA 0.343 4.684 4.340 0.001 0.000 0.232 118 L C 2.069 178.987 176.870 0.080 0.000 1.149 118 L CA 1.317 56.243 54.840 0.143 0.000 0.872 118 L CB -1.384 40.743 42.059 0.114 0.000 0.992 118 L HN 1.269 nan 8.230 nan 0.000 0.447 119 G N 0.239 109.072 108.800 0.055 0.000 2.160 119 G HA2 -0.283 3.678 3.960 0.001 0.000 0.244 119 G HA3 -0.283 3.678 3.960 0.001 0.000 0.244 119 G C 0.444 175.354 174.900 0.017 0.000 1.022 119 G CA 0.595 45.718 45.100 0.039 0.000 0.741 119 G HN 0.500 nan 8.290 nan 0.000 0.508 120 D N -1.438 118.954 120.400 -0.013 0.000 2.503 120 D HA 0.386 5.026 4.640 0.001 0.000 0.218 120 D C 1.679 177.950 176.300 -0.048 0.000 1.183 120 D CA 0.456 54.451 54.000 -0.008 0.000 0.827 120 D CB -0.402 40.418 40.800 0.034 0.000 1.034 120 D HN 1.458 nan 8.370 nan 0.000 0.510 121 G N 0.434 109.167 108.800 -0.112 0.000 2.184 121 G HA2 -0.265 3.696 3.960 0.001 0.000 0.264 121 G HA3 -0.265 3.696 3.960 0.001 0.000 0.264 121 G C -0.126 174.663 174.900 -0.184 0.000 0.975 121 G CA 0.097 45.149 45.100 -0.080 0.000 0.642 121 G HN 0.372 nan 8.290 nan 0.000 0.536 122 E N -0.567 119.407 120.200 -0.375 0.000 2.227 122 E HA 0.591 4.942 4.350 0.001 0.000 0.282 122 E C -0.082 176.110 176.600 -0.680 0.000 1.015 122 E CA -0.567 55.571 56.400 -0.437 0.000 0.823 122 E CB 0.727 30.045 29.700 -0.637 0.000 1.081 122 E HN 0.208 nan 8.360 nan 0.000 0.396 123 F N 0.816 120.647 119.950 -0.198 0.000 2.729 123 F HA 0.201 4.729 4.527 0.001 0.000 0.315 123 F C 1.496 177.260 175.800 -0.060 0.000 1.102 123 F CA -0.263 57.724 58.000 -0.022 0.000 1.204 123 F CB 0.608 39.554 39.000 -0.090 0.000 1.052 123 F HN 0.070 nan 8.300 nan 0.000 0.551 124 R N -1.120 119.289 120.500 -0.152 0.000 2.437 124 R HA 0.211 4.552 4.340 0.001 0.000 0.257 124 R C 1.249 177.413 176.300 -0.226 0.000 0.927 124 R CA 0.098 56.076 56.100 -0.203 0.000 1.078 124 R CB -0.826 29.335 30.300 -0.233 0.000 1.161 124 R HN 0.430 nan 8.270 nan 0.000 0.529 125 H N -0.023 118.852 119.070 -0.325 0.000 2.265 125 H HA -0.145 4.412 4.556 0.001 0.000 0.295 125 H C 1.197 176.358 175.328 -0.278 0.000 1.084 125 H CA 2.049 57.881 56.048 -0.360 0.000 1.261 125 H CB -0.061 29.301 29.762 -0.668 0.000 1.360 125 H HN 0.060 nan 8.280 nan 0.000 0.487 126 F N -0.569 119.419 119.950 0.064 0.000 2.216 126 F HA -0.182 4.346 4.527 0.001 0.000 0.300 126 F C 2.401 178.145 175.800 -0.093 0.000 1.085 126 F CA 0.756 58.727 58.000 -0.048 0.000 1.326 126 F CB -1.206 37.691 39.000 -0.172 0.000 1.027 126 F HN 0.212 nan 8.300 nan 0.000 0.497 127 Y N 0.583 120.810 120.300 -0.122 0.000 2.145 127 Y HA -0.261 4.290 4.550 0.001 0.000 0.286 127 Y C 2.558 178.227 175.900 -0.386 0.000 1.145 127 Y CA 2.020 59.892 58.100 -0.380 0.000 1.148 127 Y CB -0.935 37.325 38.460 -0.332 0.000 0.981 127 Y HN 0.156 nan 8.280 nan 0.000 0.507 128 H N -1.087 117.933 119.070 -0.082 0.000 2.389 128 H HA -0.114 4.442 4.556 0.001 0.000 0.299 128 H C 2.120 177.339 175.328 -0.182 0.000 1.081 128 H CA 1.519 57.473 56.048 -0.157 0.000 1.345 128 H CB -0.153 29.607 29.762 -0.003 0.000 1.393 128 H HN 0.356 nan 8.280 nan 0.000 0.520 129 M N -0.508 119.094 119.600 0.003 0.000 2.358 129 M HA -0.133 4.348 4.480 0.001 0.000 0.264 129 M C 2.062 178.297 176.300 -0.108 0.000 1.064 129 M CA 0.934 56.224 55.300 -0.016 0.000 1.093 129 M CB 0.199 32.838 32.600 0.065 0.000 1.401 129 M HN 0.070 nan 8.290 nan 0.000 0.440 130 S N -0.306 115.254 115.700 -0.233 0.000 2.558 130 S HA -0.032 4.438 4.470 0.001 0.000 0.217 130 S C 1.709 176.099 174.600 -0.350 0.000 0.975 130 S CA 0.176 58.197 58.200 -0.299 0.000 0.912 130 S CB -0.119 62.797 63.200 -0.474 0.000 0.776 130 S HN 0.344 nan 8.310 nan 0.000 0.526 131 E N 2.258 122.244 120.200 -0.356 0.000 2.077 131 E HA -0.081 4.270 4.350 0.001 0.000 0.193 131 E C -1.079 175.369 176.600 -0.253 0.000 0.989 131 E CA 1.434 57.651 56.400 -0.305 0.000 0.800 131 E CB -0.997 28.560 29.700 -0.238 0.000 0.746 131 E HN 0.401 nan 8.360 nan 0.000 0.452 132 P HA -0.046 nan 4.420 nan 0.000 0.226 132 P C 1.225 178.157 177.300 -0.613 0.000 1.153 132 P CA 1.057 63.965 63.100 -0.319 0.000 0.777 132 P CB -0.225 31.339 31.700 -0.226 0.000 0.794 133 I N -4.369 115.877 120.570 -0.540 0.000 3.914 133 I HA 0.297 4.467 4.170 0.001 0.000 0.333 133 I C -0.285 175.624 176.117 -0.347 0.000 1.449 133 I CA -0.330 60.544 61.300 -0.709 0.000 1.135 133 I CB -0.294 37.481 38.000 -0.375 0.000 1.073 133 I HN -0.185 nan 8.210 nan 0.000 0.401 134 T N -1.790 112.642 114.554 -0.204 0.000 2.896 134 T HA 0.461 4.812 4.350 0.001 0.000 0.297 134 T C 0.628 175.430 174.700 0.170 0.000 1.108 134 T CA -0.140 62.018 62.100 0.096 0.000 1.004 134 T CB 2.099 70.997 68.868 0.049 0.000 1.159 134 T HN 0.006 nan 8.240 nan 0.000 0.499 135 V N -2.010 118.028 119.914 0.206 0.000 3.590 135 V HA 0.741 4.862 4.120 0.001 0.000 0.265 135 V C 0.670 176.829 176.094 0.109 0.000 1.239 135 V CA 0.486 62.886 62.300 0.168 0.000 1.117 135 V CB -0.852 31.046 31.823 0.125 0.000 0.818 135 V HN 1.317 nan 8.190 nan 0.000 0.451 136 A N 0.788 123.670 122.820 0.105 0.000 2.589 136 A HA 0.789 5.110 4.320 0.001 0.000 0.296 136 A C -1.002 176.650 177.584 0.114 0.000 1.062 136 A CA -0.396 51.702 52.037 0.102 0.000 0.686 136 A CB 1.650 20.723 19.000 0.121 0.000 1.282 136 A HN 0.659 nan 8.150 nan 0.000 0.404 137 Q N 0.227 120.096 119.800 0.115 0.000 2.575 137 Q HA 0.853 5.194 4.340 0.001 0.000 0.290 137 Q C -0.957 175.209 176.000 0.277 0.000 0.963 137 Q CA -0.743 55.170 55.803 0.184 0.000 0.783 137 Q CB 2.061 30.772 28.738 -0.045 0.000 1.467 137 Q HN 2.226 nan 8.270 nan 0.000 0.402 138 A N 0.724 123.791 122.820 0.413 0.000 2.577 138 A HA 0.569 4.889 4.320 0.001 0.000 0.297 138 A C -1.426 176.292 177.584 0.223 0.000 1.060 138 A CA -0.652 51.563 52.037 0.296 0.000 0.697 138 A CB 2.040 21.117 19.000 0.129 0.000 1.281 138 A HN 0.464 nan 8.150 nan 0.000 0.402 139 V N 3.443 123.341 119.914 -0.025 0.000 2.320 139 V HA 0.230 4.350 4.120 0.001 0.000 0.265 139 V C -0.190 175.826 176.094 -0.130 0.000 1.048 139 V CA -0.472 61.729 62.300 -0.165 0.000 0.865 139 V CB 0.427 32.011 31.823 -0.400 0.000 1.043 139 V HN 0.694 nan 8.190 nan 0.000 0.474 140 L N 5.922 127.079 121.223 -0.109 0.000 2.499 140 L HA 0.314 4.654 4.340 0.001 0.000 0.273 140 L C 0.849 177.630 176.870 -0.149 0.000 1.195 140 L CA 0.987 55.745 54.840 -0.136 0.000 0.882 140 L CB 0.649 42.630 42.059 -0.131 0.000 1.133 140 L HN 0.914 nan 8.230 nan 0.000 0.483 141 T N -1.230 113.230 114.554 -0.155 0.000 2.887 141 T HA 0.338 4.688 4.350 0.001 0.000 0.292 141 T C 0.742 175.365 174.700 -0.129 0.000 1.087 141 T CA -0.630 61.389 62.100 -0.136 0.000 1.009 141 T CB 1.189 69.987 68.868 -0.117 0.000 1.203 141 T HN 0.625 nan 8.240 nan 0.000 0.518 142 E N -0.166 119.972 120.200 -0.103 0.000 2.204 142 E HA -0.188 4.163 4.350 0.001 0.000 0.195 142 E C 1.561 178.118 176.600 -0.072 0.000 0.990 142 E CA 1.211 57.560 56.400 -0.086 0.000 0.821 142 E CB -0.016 29.644 29.700 -0.068 0.000 0.750 142 E HN 0.674 nan 8.360 nan 0.000 0.477 143 Q N -0.480 119.282 119.800 -0.062 0.000 2.408 143 Q HA 0.052 4.393 4.340 0.001 0.000 0.205 143 Q C 1.075 177.070 176.000 -0.008 0.000 0.919 143 Q CA 1.033 56.826 55.803 -0.016 0.000 0.932 143 Q CB 0.385 29.128 28.738 0.009 0.000 1.058 143 Q HN 0.494 nan 8.270 nan 0.000 0.517 144 N N -1.998 116.601 118.700 -0.168 0.000 2.168 144 N HA 0.251 4.992 4.740 0.001 0.000 0.216 144 N C 1.427 176.545 175.510 -0.653 0.000 1.259 144 N CA 0.496 53.225 53.050 -0.535 0.000 0.902 144 N CB 0.180 38.370 38.487 -0.495 0.000 1.079 144 N HN 0.054 nan 8.380 nan 0.000 0.507 145 A N 1.812 124.423 122.820 -0.348 0.000 1.997 145 A HA -0.363 3.958 4.320 0.001 0.000 0.237 145 A C 2.415 179.801 177.584 -0.330 0.000 1.807 145 A CA 2.428 54.292 52.037 -0.290 0.000 0.863 145 A CB -1.582 17.283 19.000 -0.225 0.000 0.821 145 A HN 0.589 nan 8.150 nan 0.000 0.500 146 C N -1.722 117.349 119.300 -0.383 0.000 2.393 146 C HA -0.131 4.329 4.460 0.001 0.000 0.276 146 C C 2.738 177.654 174.990 -0.124 0.000 1.215 146 C CA 1.201 59.941 59.018 -0.464 0.000 1.743 146 C CB -2.054 25.279 27.740 -0.678 0.000 2.044 146 C HN 0.854 nan 8.230 nan 0.000 0.464 147 Y N 1.170 121.435 120.300 -0.058 0.000 2.439 147 Y HA 0.060 4.611 4.550 0.001 0.000 0.292 147 Y C 2.089 178.014 175.900 0.042 0.000 1.130 147 Y CA 1.091 59.200 58.100 0.016 0.000 1.254 147 Y CB -0.879 37.587 38.460 0.009 0.000 1.000 147 Y HN 0.192 nan 8.280 nan 0.000 0.554 148 E N 1.148 121.132 120.200 -0.360 0.000 2.112 148 E HA -0.059 4.291 4.350 0.001 0.000 0.190 148 E C 2.214 178.811 176.600 -0.005 0.000 0.979 148 E CA 0.917 57.219 56.400 -0.164 0.000 0.814 148 E CB -0.189 29.344 29.700 -0.279 0.000 0.762 148 E HN 0.636 nan 8.360 nan 0.000 0.460 149 I N 1.561 122.128 120.570 -0.005 0.000 2.226 149 I HA -0.272 3.899 4.170 0.001 0.000 0.245 149 I C 1.755 177.967 176.117 0.157 0.000 1.100 149 I CA 1.199 62.557 61.300 0.097 0.000 1.374 149 I CB -0.168 37.929 38.000 0.162 0.000 1.057 149 I HN -0.040 nan 8.210 nan 0.000 0.413 150 D N 0.275 120.787 120.400 0.187 0.000 2.144 150 D HA -0.175 4.466 4.640 0.001 0.000 0.200 150 D C 2.169 178.562 176.300 0.155 0.000 0.978 150 D CA 0.914 55.025 54.000 0.185 0.000 0.833 150 D CB -0.285 40.642 40.800 0.211 0.000 0.961 150 D HN 0.258 nan 8.370 nan 0.000 0.470 151 R N 0.924 121.518 120.500 0.157 0.000 2.066 151 R HA -0.119 4.221 4.340 0.001 0.000 0.232 151 R C 2.309 178.692 176.300 0.139 0.000 1.131 151 R CA 1.565 57.754 56.100 0.148 0.000 0.955 151 R CB -0.181 30.216 30.300 0.162 0.000 0.851 151 R HN 0.211 nan 8.270 nan 0.000 0.432 152 V N -0.737 119.261 119.914 0.141 0.000 2.358 152 V HA -0.142 3.979 4.120 0.001 0.000 0.246 152 V C 2.199 178.397 176.094 0.173 0.000 1.047 152 V CA 1.462 63.853 62.300 0.151 0.000 1.035 152 V CB -0.628 31.289 31.823 0.157 0.000 0.658 152 V HN 0.268 nan 8.190 nan 0.000 0.452 153 L N 0.526 121.858 121.223 0.181 0.000 2.042 153 L HA -0.151 4.190 4.340 0.001 0.000 0.210 153 L C 2.891 179.869 176.870 0.180 0.000 1.076 153 L CA 2.365 57.330 54.840 0.207 0.000 0.749 153 L CB -1.084 41.069 42.059 0.157 0.000 0.893 153 L HN 0.382 nan 8.230 nan 0.000 0.432 154 T N -1.372 113.271 114.554 0.148 0.000 2.746 154 T HA -0.184 4.166 4.350 0.001 0.000 0.267 154 T C 1.869 176.651 174.700 0.138 0.000 1.039 154 T CA 1.925 64.107 62.100 0.137 0.000 1.142 154 T CB -0.251 68.688 68.868 0.119 0.000 0.866 154 T HN 0.337 nan 8.240 nan 0.000 0.444 155 T N 2.113 116.747 114.554 0.133 0.000 2.788 155 T HA 0.024 4.375 4.350 0.001 0.000 0.268 155 T C 2.040 176.819 174.700 0.131 0.000 1.044 155 T CA 0.961 63.134 62.100 0.122 0.000 1.139 155 T CB -0.298 68.638 68.868 0.114 0.000 0.867 155 T HN 0.312 nan 8.240 nan 0.000 0.454 156 M N 0.227 119.923 119.600 0.159 0.000 2.086 156 M HA -0.059 4.421 4.480 0.001 0.000 0.261 156 M C 1.989 178.383 176.300 0.157 0.000 1.067 156 M CA 1.344 56.745 55.300 0.169 0.000 1.116 156 M CB -0.416 32.337 32.600 0.255 0.000 1.348 156 M HN 0.186 nan 8.290 nan 0.000 0.407 157 L N -0.118 121.209 121.223 0.174 0.000 2.083 157 L HA -0.153 4.188 4.340 0.001 0.000 0.209 157 L C 2.473 179.382 176.870 0.065 0.000 1.083 157 L CA 1.713 56.620 54.840 0.112 0.000 0.752 157 L CB -1.135 40.993 42.059 0.114 0.000 0.899 157 L HN 0.290 nan 8.230 nan 0.000 0.433 158 R N -0.259 120.307 120.500 0.109 0.000 2.062 158 R HA -0.113 4.228 4.340 0.001 0.000 0.231 158 R C 1.691 178.101 176.300 0.183 0.000 1.136 158 R CA 1.243 57.428 56.100 0.142 0.000 0.948 158 R CB 0.102 30.485 30.300 0.137 0.000 0.845 158 R HN 0.263 nan 8.270 nan 0.000 0.430 159 E N 0.556 120.850 120.200 0.156 0.000 2.442 159 E HA 0.007 4.358 4.350 0.001 0.000 0.195 159 E C -0.034 176.624 176.600 0.096 0.000 1.030 159 E CA 0.038 56.544 56.400 0.176 0.000 0.869 159 E CB 0.209 29.983 29.700 0.123 0.000 0.857 159 E HN 0.184 nan 8.360 nan 0.000 0.505 160 R N 0.601 121.110 120.500 0.014 0.000 3.267 160 R HA -0.179 4.161 4.340 0.001 0.000 0.254 160 R C -0.171 176.109 176.300 -0.033 0.000 0.993 160 R CA 0.542 56.619 56.100 -0.037 0.000 0.670 160 R CB -2.052 28.148 30.300 -0.165 0.000 1.125 160 R HN 0.244 nan 8.270 nan 0.000 0.434 161 R N -0.851 119.621 120.500 -0.047 0.000 2.781 161 R HA 0.459 4.800 4.340 0.001 0.000 0.269 161 R C -2.557 173.733 176.300 -0.017 0.000 1.025 161 R CA -2.194 53.836 56.100 -0.117 0.000 0.914 161 R CB 2.058 32.196 30.300 -0.271 0.000 1.236 161 R HN -0.156 nan 8.270 nan 0.000 0.465 162 P HA 0.092 nan 4.420 nan 0.000 0.269 162 P C -0.746 176.624 177.300 0.117 0.000 1.209 162 P CA 0.024 63.160 63.100 0.060 0.000 0.776 162 P CB 0.667 32.419 31.700 0.086 0.000 0.876 163 G N 0.839 109.716 108.800 0.128 0.000 2.533 163 G HA2 0.572 4.533 3.960 0.001 0.000 0.304 163 G HA3 0.572 4.533 3.960 0.001 0.000 0.304 163 G C -2.305 172.734 174.900 0.232 0.000 1.263 163 G CA -0.343 44.861 45.100 0.173 0.000 0.964 163 G HN 0.379 nan 8.290 nan 0.000 0.479 164 Y N 0.636 120.979 120.300 0.072 0.000 2.406 164 Y HA 0.698 5.248 4.550 0.001 0.000 0.340 164 Y C -1.198 174.742 175.900 0.068 0.000 0.975 164 Y CA -1.165 56.965 58.100 0.051 0.000 1.056 164 Y CB 1.817 40.269 38.460 -0.014 0.000 1.210 164 Y HN 0.403 nan 8.280 nan 0.000 0.448 165 L N 7.726 128.847 121.223 -0.170 0.000 2.404 165 L HA 0.488 4.829 4.340 0.001 0.000 0.272 165 L C -0.681 176.039 176.870 -0.249 0.000 0.980 165 L CA -0.776 54.022 54.840 -0.070 0.000 0.836 165 L CB 1.969 43.996 42.059 -0.053 0.000 1.238 165 L HN 0.698 nan 8.230 nan 0.000 0.408 166 M N 4.719 124.308 119.600 -0.018 0.000 2.084 166 M HA 0.339 4.820 4.480 0.001 0.000 0.351 166 M C -1.364 174.877 176.300 -0.099 0.000 1.240 166 M CA -0.681 54.600 55.300 -0.032 0.000 1.083 166 M CB 1.030 33.718 32.600 0.146 0.000 1.593 166 M HN 0.435 nan 8.290 nan 0.000 0.463 167 L N 9.434 130.563 121.223 -0.156 0.000 2.313 167 L HA 0.597 4.938 4.340 0.001 0.000 0.273 167 L C -2.526 174.242 176.870 -0.169 0.000 1.028 167 L CA -1.949 52.776 54.840 -0.191 0.000 0.871 167 L CB 0.967 42.839 42.059 -0.311 0.000 1.242 167 L HN 0.455 nan 8.230 nan 0.000 0.434 168 P HA 0.132 nan 4.420 nan 0.000 0.268 168 P C 0.349 177.568 177.300 -0.135 0.000 1.204 168 P CA 0.141 63.130 63.100 -0.184 0.000 0.768 168 P CB 1.036 32.615 31.700 -0.200 0.000 0.842 169 A N 4.515 127.272 122.820 -0.104 0.000 1.927 169 A HA -0.262 4.058 4.320 0.001 0.000 0.220 169 A C 1.834 179.398 177.584 -0.034 0.000 1.185 169 A CA 2.292 54.312 52.037 -0.028 0.000 0.639 169 A CB -1.273 17.748 19.000 0.034 0.000 0.820 169 A HN 0.673 nan 8.150 nan 0.000 0.451 170 D N -0.134 120.228 120.400 -0.063 0.000 2.144 170 D HA -0.104 4.537 4.640 0.001 0.000 0.200 170 D C 1.828 178.090 176.300 -0.064 0.000 0.978 170 D CA 1.559 55.526 54.000 -0.056 0.000 0.833 170 D CB -0.917 39.840 40.800 -0.072 0.000 0.961 170 D HN 0.265 nan 8.370 nan 0.000 0.470 171 V N 1.714 121.575 119.914 -0.088 0.000 2.407 171 V HA -0.205 3.916 4.120 0.001 0.000 0.248 171 V C 2.959 179.002 176.094 -0.086 0.000 1.055 171 V CA 1.707 63.950 62.300 -0.095 0.000 1.049 171 V CB -0.923 30.829 31.823 -0.119 0.000 0.662 171 V HN 0.371 nan 8.190 nan 0.000 0.455 172 A N -0.231 122.544 122.820 -0.075 0.000 1.978 172 A HA -0.237 4.084 4.320 0.001 0.000 0.220 172 A C 2.223 179.767 177.584 -0.067 0.000 1.170 172 A CA 1.828 53.832 52.037 -0.056 0.000 0.636 172 A CB -0.379 18.626 19.000 0.008 0.000 0.810 172 A HN 0.581 nan 8.150 nan 0.000 0.448 173 K N -0.615 119.761 120.400 -0.039 0.000 2.418 173 K HA 0.041 4.362 4.320 0.001 0.000 0.195 173 K C 0.098 176.677 176.600 -0.035 0.000 1.035 173 K CA 0.076 56.348 56.287 -0.025 0.000 1.003 173 K CB 0.076 32.582 32.500 0.010 0.000 0.793 173 K HN 0.132 nan 8.250 nan 0.000 0.494 174 K N 1.695 122.066 120.400 -0.049 0.000 2.436 174 K HA 0.081 4.402 4.320 0.001 0.000 0.275 174 K C -0.306 176.274 176.600 -0.033 0.000 0.999 174 K CA -0.029 56.233 56.287 -0.041 0.000 0.980 174 K CB 0.551 33.017 32.500 -0.055 0.000 0.919 174 K HN 0.121 nan 8.250 nan 0.000 0.484 175 A N 1.822 124.639 122.820 -0.004 0.000 2.483 175 A HA 0.500 4.821 4.320 0.001 0.000 0.238 175 A C -0.208 177.403 177.584 0.044 0.000 1.070 175 A CA 0.547 52.602 52.037 0.031 0.000 0.770 175 A CB 0.007 19.031 19.000 0.041 0.000 1.008 175 A HN 0.712 nan 8.150 nan 0.000 0.497 176 A N 0.791 123.690 122.820 0.133 0.000 2.609 176 A HA 0.801 5.122 4.320 0.001 0.000 0.291 176 A C -0.232 177.572 177.584 0.367 0.000 1.096 176 A CA 0.196 52.346 52.037 0.189 0.000 0.684 176 A CB 1.047 20.142 19.000 0.159 0.000 1.282 176 A HN 1.880 nan 8.150 nan 0.000 0.412 177 T N 0.522 115.239 114.554 0.271 0.000 2.856 177 T HA 0.724 5.075 4.350 0.001 0.000 0.283 177 T C -2.956 171.777 174.700 0.055 0.000 1.008 177 T CA -1.949 60.211 62.100 0.100 0.000 0.997 177 T CB 1.229 70.122 68.868 0.041 0.000 0.992 177 T HN 0.306 nan 8.240 nan 0.000 0.454 178 P HA 0.262 nan 4.420 nan 0.000 0.265 178 P C -2.470 174.779 177.300 -0.086 0.000 1.193 178 P CA -0.803 62.036 63.100 -0.435 0.000 0.765 178 P CB -0.333 30.965 31.700 -0.669 0.000 0.823 179 P HA -0.003 nan 4.420 nan 0.000 0.268 179 P C 0.750 178.027 177.300 -0.038 0.000 1.204 179 P CA 0.030 63.127 63.100 -0.005 0.000 0.768 179 P CB 0.511 32.143 31.700 -0.113 0.000 0.842 180 V N 2.398 122.304 119.914 -0.013 0.000 2.488 180 V HA -0.097 4.023 4.120 0.001 0.000 0.246 180 V C 0.779 176.856 176.094 -0.028 0.000 1.046 180 V CA 1.493 63.779 62.300 -0.024 0.000 1.053 180 V CB -0.814 31.003 31.823 -0.011 0.000 0.679 180 V HN 0.590 nan 8.190 nan 0.000 0.458 181 N N -0.613 118.073 118.700 -0.024 0.000 2.319 181 N HA 0.625 5.365 4.740 0.001 0.000 0.305 181 N C -0.440 175.039 175.510 -0.051 0.000 1.103 181 N CA -0.244 52.786 53.050 -0.034 0.000 0.815 181 N CB 1.848 40.321 38.487 -0.024 0.000 1.288 181 N HN 0.302 nan 8.380 nan 0.000 0.493 182 A N 1.474 124.254 122.820 -0.066 0.000 2.407 182 A HA 0.187 4.508 4.320 0.001 0.000 0.248 182 A C -0.028 177.494 177.584 -0.102 0.000 1.082 182 A CA -0.335 51.649 52.037 -0.088 0.000 0.785 182 A CB 0.149 19.095 19.000 -0.091 0.000 1.020 182 A HN 0.622 nan 8.150 nan 0.000 0.489 183 L N 2.621 123.782 121.223 -0.104 0.000 2.584 183 L HA 0.149 4.490 4.340 0.001 0.000 0.272 183 L C 1.250 178.004 176.870 -0.194 0.000 1.195 183 L CA 1.177 55.962 54.840 -0.091 0.000 0.920 183 L CB -0.109 41.917 42.059 -0.055 0.000 1.173 183 L HN 0.844 nan 8.230 nan 0.000 0.489 184 T N 1.156 115.611 114.554 -0.164 0.000 2.909 184 T HA 0.305 4.656 4.350 0.001 0.000 0.289 184 T C 1.073 175.656 174.700 -0.196 0.000 1.005 184 T CA -0.420 61.524 62.100 -0.260 0.000 1.084 184 T CB 0.880 69.679 68.868 -0.116 0.000 0.975 184 T HN 0.576 nan 8.240 nan 0.000 0.509 185 H N 1.414 120.497 119.070 0.021 0.000 2.316 185 H HA 0.264 4.820 4.556 0.001 0.000 0.314 185 H C 0.973 176.328 175.328 0.046 0.000 1.057 185 H CA 0.485 56.552 56.048 0.032 0.000 1.402 185 H CB -0.556 29.222 29.762 0.027 0.000 1.443 185 H HN 0.785 nan 8.280 nan 0.000 0.559 186 K N 2.297 122.796 120.400 0.164 0.000 4.789 186 K HA -0.215 4.106 4.320 0.001 0.000 0.290 186 K C -0.793 175.884 176.600 0.129 0.000 0.798 186 K CA 0.114 56.475 56.287 0.122 0.000 0.860 186 K CB -0.789 31.757 32.500 0.076 0.000 1.852 186 K HN 0.482 nan 8.250 nan 0.000 0.413 187 Q N 1.273 121.151 119.800 0.130 0.000 2.313 187 Q HA 0.267 4.608 4.340 0.001 0.000 0.266 187 Q C 0.491 176.563 176.000 0.120 0.000 0.989 187 Q CA 0.070 55.942 55.803 0.114 0.000 0.890 187 Q CB 1.085 29.884 28.738 0.100 0.000 1.200 187 Q HN 0.564 nan 8.270 nan 0.000 0.396 188 A N 2.830 125.724 122.820 0.123 0.000 2.507 188 A HA 0.077 4.398 4.320 0.001 0.000 0.235 188 A C -0.584 177.102 177.584 0.169 0.000 1.070 188 A CA -0.160 51.976 52.037 0.166 0.000 0.768 188 A CB 0.154 19.218 19.000 0.108 0.000 1.011 188 A HN 0.691 nan 8.150 nan 0.000 0.502 189 H N -0.301 118.793 119.070 0.039 0.000 2.508 189 H HA 0.549 5.106 4.556 0.001 0.000 0.358 189 H C 0.842 176.192 175.328 0.036 0.000 1.212 189 H CA 0.530 56.599 56.048 0.036 0.000 1.356 189 H CB 0.927 30.706 29.762 0.029 0.000 1.525 189 H HN 0.892 nan 8.280 nan 0.000 0.578 190 A N 0.692 123.592 122.820 0.135 0.000 2.304 190 A HA 0.202 4.523 4.320 0.001 0.000 0.271 190 A C -0.163 177.482 177.584 0.102 0.000 1.091 190 A CA -0.494 51.599 52.037 0.093 0.000 0.812 190 A CB -0.024 19.010 19.000 0.058 0.000 1.056 190 A HN 0.843 nan 8.150 nan 0.000 0.489 191 D N 0.507 120.958 120.400 0.084 0.000 2.417 191 D HA 0.193 4.834 4.640 0.001 0.000 0.250 191 D C 1.560 177.905 176.300 0.076 0.000 1.166 191 D CA 0.842 54.887 54.000 0.076 0.000 0.881 191 D CB 0.745 41.588 40.800 0.072 0.000 1.164 191 D HN 0.491 nan 8.370 nan 0.000 0.467 192 S N 3.333 119.072 115.700 0.066 0.000 2.374 192 S HA -0.316 4.154 4.470 0.001 0.000 0.227 192 S C 2.079 176.715 174.600 0.059 0.000 1.037 192 S CA 0.992 59.227 58.200 0.059 0.000 1.024 192 S CB -0.646 62.581 63.200 0.045 0.000 0.861 192 S HN 0.576 nan 8.310 nan 0.000 0.456 193 A N 0.562 123.419 122.820 0.062 0.000 1.902 193 A HA -0.085 4.236 4.320 0.001 0.000 0.217 193 A C 2.587 180.227 177.584 0.094 0.000 1.181 193 A CA 1.424 53.501 52.037 0.068 0.000 0.623 193 A CB -1.550 17.489 19.000 0.065 0.000 0.818 193 A HN 0.735 nan 8.150 nan 0.000 0.443 194 C N -1.094 118.272 119.300 0.111 0.000 2.446 194 C HA -0.017 4.443 4.460 0.001 0.000 0.277 194 C C 2.473 177.546 174.990 0.138 0.000 1.275 194 C CA 1.201 60.317 59.018 0.163 0.000 1.727 194 C CB -1.337 26.500 27.740 0.161 0.000 2.010 194 C HN 0.591 nan 8.230 nan 0.000 0.486 195 L N 1.374 122.657 121.223 0.100 0.000 2.083 195 L HA -0.066 4.274 4.340 0.001 0.000 0.209 195 L C 2.491 179.401 176.870 0.066 0.000 1.083 195 L CA 1.939 56.837 54.840 0.098 0.000 0.752 195 L CB -0.999 41.110 42.059 0.082 0.000 0.899 195 L HN 0.242 nan 8.230 nan 0.000 0.433 196 K N -0.235 120.189 120.400 0.040 0.000 2.026 196 K HA -0.072 4.249 4.320 0.001 0.000 0.208 196 K C 2.029 178.605 176.600 -0.039 0.000 1.048 196 K CA 1.406 57.694 56.287 0.002 0.000 0.929 196 K CB -0.417 32.095 32.500 0.020 0.000 0.713 196 K HN 0.439 nan 8.250 nan 0.000 0.439 197 A N 0.636 123.460 122.820 0.007 0.000 1.940 197 A HA -0.190 4.131 4.320 0.001 0.000 0.219 197 A C 2.086 179.461 177.584 -0.349 0.000 1.176 197 A CA 1.485 53.529 52.037 0.011 0.000 0.631 197 A CB -0.747 18.411 19.000 0.263 0.000 0.814 197 A HN 0.418 nan 8.150 nan 0.000 0.446 198 F N 0.567 120.052 119.950 -0.774 0.000 2.113 198 F HA -0.115 4.414 4.527 0.003 0.000 0.297 198 F C 2.287 177.751 175.800 -0.561 0.000 1.103 198 F CA 1.873 59.150 58.000 -1.206 0.000 1.248 198 F CB -0.476 38.059 39.000 -0.775 0.000 0.999 198 F HN 0.203 nan 8.300 nan 0.000 0.475 199 R N 0.415 120.611 120.500 -0.507 0.000 2.083 199 R HA -0.189 4.151 4.340 0.001 0.000 0.237 199 R C 1.944 178.010 176.300 -0.390 0.000 1.137 199 R CA 2.229 58.038 56.100 -0.484 0.000 0.951 199 R CB -0.680 29.495 30.300 -0.208 0.000 0.851 199 R HN 0.293 nan 8.270 nan 0.000 0.434 200 D N 0.152 120.399 120.400 -0.255 0.000 2.117 200 D HA -0.148 4.493 4.640 0.001 0.000 0.197 200 D C 1.734 177.930 176.300 -0.173 0.000 0.987 200 D CA 1.515 55.419 54.000 -0.161 0.000 0.829 200 D CB -0.304 40.450 40.800 -0.078 0.000 0.961 200 D HN 0.402 nan 8.370 nan 0.000 0.460 201 A N 1.136 123.824 122.820 -0.220 0.000 1.898 201 A HA -0.006 4.315 4.320 0.001 0.000 0.216 201 A C 2.338 179.793 177.584 -0.215 0.000 1.181 201 A CA 2.135 54.092 52.037 -0.135 0.000 0.620 201 A CB -0.685 18.314 19.000 -0.003 0.000 0.819 201 A HN 0.237 nan 8.150 nan 0.000 0.442 202 A N -0.283 122.278 122.820 -0.430 0.000 1.902 202 A HA -0.178 4.143 4.320 0.001 0.000 0.217 202 A C 2.018 179.427 177.584 -0.291 0.000 1.181 202 A CA 1.876 53.658 52.037 -0.426 0.000 0.623 202 A CB -0.558 17.986 19.000 -0.759 0.000 0.818 202 A HN 0.680 nan 8.150 nan 0.000 0.443 203 E N -0.005 120.035 120.200 -0.266 0.000 2.031 203 E HA -0.256 4.095 4.350 0.001 0.000 0.193 203 E C 1.814 178.336 176.600 -0.131 0.000 0.994 203 E CA 1.585 57.877 56.400 -0.179 0.000 0.800 203 E CB -0.201 29.439 29.700 -0.098 0.000 0.752 203 E HN 0.581 nan 8.360 nan 0.000 0.447 204 N N 0.461 119.104 118.700 -0.096 0.000 2.137 204 N HA -0.207 4.533 4.740 0.001 0.000 0.190 204 N C 1.563 177.033 175.510 -0.067 0.000 1.017 204 N CA 1.595 54.612 53.050 -0.055 0.000 0.859 204 N CB -0.224 38.240 38.487 -0.038 0.000 1.002 204 N HN 0.069 nan 8.380 nan 0.000 0.428 205 K N 0.438 120.780 120.400 -0.097 0.000 2.007 205 K HA 0.045 4.365 4.320 0.001 0.000 0.206 205 K C 1.477 178.005 176.600 -0.120 0.000 1.047 205 K CA 0.918 57.151 56.287 -0.090 0.000 0.937 205 K CB -0.499 31.949 32.500 -0.087 0.000 0.718 205 K HN -0.032 nan 8.250 nan 0.000 0.438 206 L N 0.949 122.052 121.223 -0.199 0.000 2.141 206 L HA 0.079 4.419 4.340 0.001 0.000 0.209 206 L C 2.313 178.978 176.870 -0.342 0.000 1.094 206 L CA 1.860 56.522 54.840 -0.298 0.000 0.763 206 L CB -1.317 40.473 42.059 -0.450 0.000 0.908 206 L HN 0.320 nan 8.230 nan 0.000 0.437 207 A N -0.755 121.913 122.820 -0.253 0.000 2.019 207 A HA -0.162 4.159 4.320 0.001 0.000 0.219 207 A C 1.989 179.620 177.584 0.077 0.000 1.164 207 A CA 1.690 53.761 52.037 0.058 0.000 0.644 207 A CB -0.449 18.637 19.000 0.143 0.000 0.805 207 A HN 0.478 nan 8.150 nan 0.000 0.449 208 M N -0.847 118.755 119.600 0.003 0.000 2.356 208 M HA 0.189 4.670 4.480 0.001 0.000 0.262 208 M C 0.611 176.909 176.300 -0.004 0.000 1.097 208 M CA -0.040 55.267 55.300 0.011 0.000 0.991 208 M CB 0.323 32.923 32.600 -0.001 0.000 1.450 208 M HN 0.190 nan 8.290 nan 0.000 0.495 209 S N 1.377 117.063 115.700 -0.023 0.000 2.499 209 S HA 0.199 4.670 4.470 0.001 0.000 0.275 209 S C 1.212 175.798 174.600 -0.024 0.000 1.257 209 S CA -0.424 57.753 58.200 -0.039 0.000 1.050 209 S CB 0.797 63.956 63.200 -0.068 0.000 0.937 209 S HN 0.193 nan 8.310 nan 0.000 0.490 210 K N 3.537 123.911 120.400 -0.044 0.000 2.007 210 K HA 0.080 4.400 4.320 0.001 0.000 0.206 210 K C 0.973 177.447 176.600 -0.210 0.000 1.047 210 K CA 1.045 57.303 56.287 -0.048 0.000 0.937 210 K CB -0.132 32.343 32.500 -0.042 0.000 0.718 210 K HN 0.620 nan 8.250 nan 0.000 0.438 211 R N 0.174 120.527 120.500 -0.245 0.000 2.673 211 R HA 0.273 4.613 4.340 0.001 0.000 0.281 211 R C -1.294 174.897 176.300 -0.183 0.000 0.991 211 R CA -0.178 55.711 56.100 -0.352 0.000 0.896 211 R CB 2.008 32.070 30.300 -0.397 0.000 1.201 211 R HN -0.121 nan 8.270 nan 0.000 0.457 212 T N 1.672 116.140 114.554 -0.143 0.000 2.863 212 T HA 0.719 5.070 4.350 0.001 0.000 0.285 212 T C -1.165 173.481 174.700 -0.089 0.000 1.009 212 T CA -0.543 61.503 62.100 -0.090 0.000 0.989 212 T CB 1.713 70.554 68.868 -0.045 0.000 1.004 212 T HN 0.663 nan 8.240 nan 0.000 0.455 213 A N 2.669 125.433 122.820 -0.093 0.000 2.413 213 A HA 0.876 5.197 4.320 0.001 0.000 0.307 213 A C -1.269 176.245 177.584 -0.117 0.000 1.087 213 A CA -0.742 51.232 52.037 -0.105 0.000 0.750 213 A CB 1.244 20.171 19.000 -0.121 0.000 1.296 213 A HN 0.818 nan 8.150 nan 0.000 0.423 214 L N 2.022 123.163 121.223 -0.137 0.000 2.313 214 L HA 0.639 4.980 4.340 0.001 0.000 0.283 214 L C -1.708 175.137 176.870 -0.041 0.000 1.013 214 L CA -0.915 53.830 54.840 -0.159 0.000 0.816 214 L CB 1.446 43.295 42.059 -0.349 0.000 1.236 214 L HN 0.702 nan 8.230 nan 0.000 0.419 215 L N 5.408 126.628 121.223 -0.005 0.000 2.343 215 L HA 0.765 5.105 4.340 0.001 0.000 0.278 215 L C -0.653 176.269 176.870 0.087 0.000 0.996 215 L CA -0.097 54.773 54.840 0.050 0.000 0.831 215 L CB 1.422 43.484 42.059 0.006 0.000 1.232 215 L HN 0.618 nan 8.230 nan 0.000 0.413 216 A N 3.518 126.428 122.820 0.150 0.000 2.374 216 A HA 0.825 5.145 4.320 0.001 0.000 0.317 216 A C -1.236 176.380 177.584 0.054 0.000 1.094 216 A CA -0.465 51.618 52.037 0.077 0.000 0.765 216 A CB 1.405 20.436 19.000 0.051 0.000 1.268 216 A HN 0.689 nan 8.150 nan 0.000 0.438 217 D N -0.815 119.585 120.400 0.000 0.000 2.732 217 D HA 0.504 5.145 4.640 0.001 0.000 0.292 217 D C 1.127 177.449 176.300 0.037 0.000 1.135 217 D CA -0.083 53.956 54.000 0.065 0.000 1.071 217 D CB 0.537 41.415 40.800 0.130 0.000 1.457 217 D HN 0.455 nan 8.370 nan 0.000 0.547 218 F N 0.489 120.411 119.950 -0.048 0.000 2.127 218 F HA -0.243 4.284 4.527 0.001 0.000 0.299 218 F C 1.376 177.146 175.800 -0.050 0.000 1.068 218 F CA 1.441 59.418 58.000 -0.039 0.000 1.263 218 F CB -1.188 37.798 39.000 -0.023 0.000 1.016 218 F HN 0.263 nan 8.300 nan 0.000 0.491 219 L N 0.424 121.044 121.223 -1.005 0.000 2.191 219 L HA -0.138 4.203 4.340 0.001 0.000 0.212 219 L C 2.787 179.495 176.870 -0.271 0.000 1.103 219 L CA 1.189 55.571 54.840 -0.762 0.000 0.769 219 L CB -0.646 40.907 42.059 -0.844 0.000 0.908 219 L HN 0.430 nan 8.230 nan 0.000 0.438 220 V N -1.100 118.689 119.914 -0.208 0.000 2.548 220 V HA -0.183 3.938 4.120 0.001 0.000 0.249 220 V C 2.142 178.198 176.094 -0.064 0.000 1.055 220 V CA 1.230 63.467 62.300 -0.106 0.000 1.065 220 V CB -0.090 31.676 31.823 -0.095 0.000 0.681 220 V HN 0.332 nan 8.190 nan 0.000 0.462 221 L N -0.247 120.938 121.223 -0.064 0.000 2.056 221 L HA -0.041 4.299 4.340 0.001 0.000 0.207 221 L C 3.093 179.947 176.870 -0.028 0.000 1.078 221 L CA 1.555 56.375 54.840 -0.033 0.000 0.749 221 L CB -0.684 41.386 42.059 0.018 0.000 0.901 221 L HN 0.239 nan 8.230 nan 0.000 0.433 222 R N -0.419 120.066 120.500 -0.025 0.000 2.115 222 R HA -0.121 4.219 4.340 0.001 0.000 0.230 222 R C 1.464 177.667 176.300 -0.162 0.000 1.111 222 R CA 1.208 57.273 56.100 -0.058 0.000 0.976 222 R CB -0.827 29.445 30.300 -0.046 0.000 0.870 222 R HN 0.460 nan 8.270 nan 0.000 0.445 223 H N -0.649 118.354 119.070 -0.111 0.000 2.538 223 H HA 0.232 4.789 4.556 0.002 0.000 0.286 223 H C 0.691 175.967 175.328 -0.087 0.000 1.035 223 H CA 0.467 56.456 56.048 -0.098 0.000 1.169 223 H CB 0.079 29.766 29.762 -0.125 0.000 1.417 223 H HN 0.421 nan 8.280 nan 0.000 0.567 224 G N 1.039 109.820 108.800 -0.030 0.000 2.305 224 G HA2 -0.290 3.670 3.960 0.001 0.000 0.287 224 G HA3 -0.290 3.670 3.960 0.001 0.000 0.287 224 G C 0.436 175.305 174.900 -0.053 0.000 1.036 224 G CA 0.453 45.514 45.100 -0.064 0.000 0.887 224 G HN 0.494 nan 8.290 nan 0.000 0.505 225 L N -0.967 120.237 121.223 -0.033 0.000 2.965 225 L HA 0.310 4.651 4.340 0.001 0.000 0.254 225 L C 2.192 179.053 176.870 -0.014 0.000 1.220 225 L CA 0.202 55.036 54.840 -0.011 0.000 1.023 225 L CB 0.318 42.380 42.059 0.005 0.000 1.355 225 L HN 0.311 nan 8.230 nan 0.000 0.545 226 K N 0.320 120.680 120.400 -0.067 0.000 1.991 226 K HA -0.207 4.114 4.320 0.001 0.000 0.212 226 K C 1.807 178.447 176.600 0.067 0.000 1.049 226 K CA 1.808 58.057 56.287 -0.063 0.000 0.932 226 K CB -0.070 32.365 32.500 -0.109 0.000 0.717 226 K HN 0.469 nan 8.250 nan 0.000 0.441 227 H N -0.768 118.305 119.070 0.006 0.000 2.387 227 H HA -0.118 4.439 4.556 0.001 0.000 0.299 227 H C 2.059 177.423 175.328 0.060 0.000 1.099 227 H CA 0.642 56.708 56.048 0.030 0.000 1.315 227 H CB 0.017 29.794 29.762 0.024 0.000 1.380 227 H HN 0.410 nan 8.280 nan 0.000 0.513 228 A N 0.827 123.759 122.820 0.187 0.000 1.908 228 A HA -0.157 4.163 4.320 0.001 0.000 0.218 228 A C 2.224 179.950 177.584 0.238 0.000 1.181 228 A CA 1.341 53.471 52.037 0.155 0.000 0.627 228 A CB -0.494 18.566 19.000 0.099 0.000 0.818 228 A HN 0.198 nan 8.150 nan 0.000 0.445 229 L N -0.543 120.819 121.223 0.232 0.000 2.131 229 L HA -0.132 4.208 4.340 0.001 0.000 0.206 229 L C 2.739 179.826 176.870 0.362 0.000 1.087 229 L CA 1.655 56.692 54.840 0.328 0.000 0.767 229 L CB -0.535 41.596 42.059 0.120 0.000 0.917 229 L HN 0.439 nan 8.230 nan 0.000 0.441 230 Q N -0.566 119.388 119.800 0.258 0.000 2.050 230 Q HA -0.278 4.063 4.340 0.001 0.000 0.202 230 Q C 2.216 178.334 176.000 0.196 0.000 0.980 230 Q CA 1.679 57.641 55.803 0.265 0.000 0.840 230 Q CB -0.230 28.619 28.738 0.185 0.000 0.898 230 Q HN 0.389 nan 8.270 nan 0.000 0.424 231 K N 0.171 120.677 120.400 0.178 0.000 2.032 231 K HA -0.217 4.103 4.320 0.001 0.000 0.209 231 K C 1.888 178.617 176.600 0.214 0.000 1.048 231 K CA 1.347 57.719 56.287 0.142 0.000 0.927 231 K CB -0.228 32.338 32.500 0.111 0.000 0.712 231 K HN 0.255 nan 8.250 nan 0.000 0.441 232 W N 1.325 122.652 121.300 0.045 0.000 2.311 232 W HA -0.258 4.402 4.660 -0.000 0.000 0.326 232 W C 1.906 178.420 176.519 -0.009 0.000 1.239 232 W CA 1.506 58.870 57.345 0.031 0.000 1.258 232 W CB -1.116 28.379 29.460 0.058 0.000 1.165 232 W HN -0.013 nan 8.180 nan 0.000 0.466 233 V N 1.804 121.764 119.914 0.077 0.000 2.568 233 V HA -0.273 3.847 4.120 0.001 0.000 0.253 233 V C 2.589 178.605 176.094 -0.130 0.000 1.072 233 V CA 2.683 64.823 62.300 -0.267 0.000 1.084 233 V CB -0.711 30.670 31.823 -0.738 0.000 0.676 233 V HN 0.273 nan 8.190 nan 0.000 0.469 234 K N -0.420 119.975 120.400 -0.007 0.000 2.031 234 K HA -0.159 4.162 4.320 0.001 0.000 0.205 234 K C 2.080 178.702 176.600 0.037 0.000 1.049 234 K CA 1.822 58.114 56.287 0.008 0.000 0.939 234 K CB -0.145 32.374 32.500 0.031 0.000 0.717 234 K HN 0.604 nan 8.250 nan 0.000 0.438 235 E N -0.222 120.029 120.200 0.084 0.000 2.107 235 E HA -0.052 4.298 4.350 0.001 0.000 0.191 235 E C -0.214 176.447 176.600 0.102 0.000 0.982 235 E CA 0.631 57.084 56.400 0.088 0.000 0.809 235 E CB 0.539 30.299 29.700 0.099 0.000 0.756 235 E HN -0.002 nan 8.360 nan 0.000 0.459 236 V N 3.119 123.122 119.914 0.149 0.000 2.250 236 V HA 0.205 4.326 4.120 0.001 0.000 0.268 236 V C -2.483 173.643 176.094 0.054 0.000 1.043 236 V CA -1.709 60.677 62.300 0.144 0.000 0.814 236 V CB 0.825 32.815 31.823 0.278 0.000 1.072 236 V HN -0.014 nan 8.190 nan 0.000 0.451 237 P HA 0.312 nan 4.420 nan 0.000 0.264 237 P C -0.307 177.006 177.300 0.021 0.000 1.193 237 P CA 0.332 63.435 63.100 0.006 0.000 0.763 237 P CB 0.396 32.114 31.700 0.029 0.000 0.810 238 M N 0.666 120.268 119.600 0.004 0.000 2.895 238 M HA 0.703 5.184 4.480 0.001 0.000 0.271 238 M C -1.553 174.809 176.300 0.104 0.000 1.174 238 M CA -1.353 53.964 55.300 0.029 0.000 0.816 238 M CB 1.550 34.129 32.600 -0.035 0.000 1.647 238 M HN 0.144 nan 8.290 nan 0.000 0.506 239 A N 2.040 124.912 122.820 0.086 0.000 2.488 239 A HA 0.566 4.887 4.320 0.001 0.000 0.249 239 A C -0.583 177.022 177.584 0.035 0.000 1.083 239 A CA 0.233 52.341 52.037 0.118 0.000 0.768 239 A CB -0.438 18.579 19.000 0.029 0.000 1.017 239 A HN 0.993 nan 8.150 nan 0.000 0.496 240 H N -0.304 118.661 119.070 -0.174 0.000 2.974 240 H HA 0.820 5.376 4.556 0.001 0.000 0.366 240 H C -0.833 174.335 175.328 -0.266 0.000 1.155 240 H CA -0.330 55.551 56.048 -0.279 0.000 1.186 240 H CB 1.122 30.566 29.762 -0.530 0.000 1.799 240 H HN 1.037 nan 8.280 nan 0.000 0.541 241 A N 1.622 124.395 122.820 -0.078 0.000 2.568 241 A HA 0.769 5.090 4.320 0.001 0.000 0.291 241 A C -0.540 177.232 177.584 0.313 0.000 1.159 241 A CA -0.198 51.823 52.037 -0.026 0.000 0.679 241 A CB 1.528 20.409 19.000 -0.199 0.000 1.285 241 A HN 1.196 nan 8.150 nan 0.000 0.428 242 T N -1.994 112.758 114.554 0.331 0.000 2.865 242 T HA 0.753 5.104 4.350 0.001 0.000 0.294 242 T C -0.079 174.761 174.700 0.233 0.000 1.119 242 T CA -0.628 61.642 62.100 0.282 0.000 1.007 242 T CB 1.090 70.116 68.868 0.263 0.000 1.225 242 T HN 0.639 nan 8.240 nan 0.000 0.515 243 M N 0.996 120.711 119.600 0.192 0.000 2.679 243 M HA 0.434 4.915 4.480 0.001 0.000 0.287 243 M C 1.636 178.003 176.300 0.112 0.000 1.202 243 M CA -1.057 54.342 55.300 0.165 0.000 0.911 243 M CB 1.016 33.709 32.600 0.155 0.000 1.556 243 M HN 0.627 nan 8.290 nan 0.000 0.511 244 L N 0.664 121.938 121.223 0.085 0.000 1.997 244 L HA -0.300 4.041 4.340 0.001 0.000 0.216 244 L C 2.328 179.261 176.870 0.105 0.000 1.074 244 L CA 2.066 56.953 54.840 0.079 0.000 0.763 244 L CB -0.201 41.909 42.059 0.084 0.000 0.890 244 L HN 0.743 nan 8.230 nan 0.000 0.434 245 M N -1.189 118.452 119.600 0.069 0.000 2.108 245 M HA -0.168 4.312 4.480 0.001 0.000 0.261 245 M C 1.797 178.190 176.300 0.155 0.000 1.066 245 M CA 1.956 57.288 55.300 0.053 0.000 1.107 245 M CB -0.673 31.862 32.600 -0.109 0.000 1.356 245 M HN 0.386 nan 8.290 nan 0.000 0.406 246 G N -0.199 108.699 108.800 0.163 0.000 2.985 246 G HA2 -0.009 3.952 3.960 0.001 0.000 0.209 246 G HA3 -0.009 3.952 3.960 0.001 0.000 0.209 246 G C 0.402 175.355 174.900 0.088 0.000 1.165 246 G CA -0.335 44.849 45.100 0.140 0.000 0.776 246 G HN 0.290 nan 8.290 nan 0.000 0.541 247 K N 0.536 120.983 120.400 0.078 0.000 2.491 247 K HA 0.295 4.616 4.320 0.001 0.000 0.279 247 K C 1.342 177.934 176.600 -0.013 0.000 1.026 247 K CA 1.078 57.331 56.287 -0.055 0.000 1.070 247 K CB -0.005 32.272 32.500 -0.372 0.000 0.887 247 K HN 0.235 nan 8.250 nan 0.000 0.481 248 G N 3.488 112.257 108.800 -0.051 0.000 2.284 248 G HA2 -0.240 3.721 3.960 0.001 0.000 0.201 248 G HA3 -0.240 3.721 3.960 0.001 0.000 0.201 248 G C 0.686 175.563 174.900 -0.039 0.000 0.998 248 G CA 0.177 45.275 45.100 -0.004 0.000 0.651 248 G HN 0.733 nan 8.290 nan 0.000 0.489 249 I N -1.792 118.708 120.570 -0.116 0.000 2.546 249 I HA 0.428 4.598 4.170 0.001 0.000 0.255 249 I C 0.684 176.627 176.117 -0.290 0.000 1.163 249 I CA 0.549 61.695 61.300 -0.258 0.000 1.457 249 I CB -0.155 37.566 38.000 -0.464 0.000 1.092 249 I HN -0.024 nan 8.210 nan 0.000 0.434 250 F N 1.613 121.566 119.950 0.005 0.000 2.507 250 F HA 0.399 4.927 4.527 0.001 0.000 0.327 250 F C 0.131 175.838 175.800 -0.154 0.000 1.068 250 F CA -1.428 56.558 58.000 -0.025 0.000 0.965 250 F CB 0.636 39.679 39.000 0.071 0.000 1.192 250 F HN -0.138 nan 8.300 nan 0.000 0.476 251 D N 1.804 122.274 120.400 0.117 0.000 2.359 251 D HA 0.051 4.692 4.640 0.001 0.000 0.250 251 D C 0.550 176.711 176.300 -0.232 0.000 1.264 251 D CA 0.202 54.169 54.000 -0.056 0.000 0.911 251 D CB 0.333 41.128 40.800 -0.009 0.000 1.056 251 D HN 0.610 nan 8.370 nan 0.000 0.499 252 E N 2.473 122.384 120.200 -0.480 0.000 2.516 252 E HA -0.062 4.289 4.350 0.001 0.000 0.199 252 E C 1.113 177.486 176.600 -0.379 0.000 1.069 252 E CA 0.287 56.124 56.400 -0.938 0.000 0.876 252 E CB 0.329 29.329 29.700 -1.166 0.000 0.843 252 E HN 0.434 nan 8.360 nan 0.000 0.530 253 R N 0.355 120.734 120.500 -0.201 0.000 2.312 253 R HA 0.072 4.412 4.340 0.001 0.000 0.205 253 R C 0.603 176.862 176.300 -0.067 0.000 0.904 253 R CA 0.054 56.094 56.100 -0.100 0.000 1.052 253 R CB 0.350 30.606 30.300 -0.074 0.000 1.014 253 R HN 0.073 nan 8.270 nan 0.000 0.503 254 Q N 0.594 120.357 119.800 -0.061 0.000 2.318 254 Q HA 0.324 4.665 4.340 0.001 0.000 0.222 254 Q C -0.134 175.854 176.000 -0.021 0.000 1.003 254 Q CA -0.207 55.585 55.803 -0.019 0.000 0.936 254 Q CB 0.614 29.363 28.738 0.019 0.000 1.204 254 Q HN 0.115 nan 8.270 nan 0.000 0.524 255 A N -0.337 122.475 122.820 -0.013 0.000 2.450 255 A HA 0.486 4.807 4.320 0.001 0.000 0.255 255 A C 1.015 178.593 177.584 -0.010 0.000 1.096 255 A CA 0.712 52.721 52.037 -0.046 0.000 0.778 255 A CB -0.352 18.636 19.000 -0.021 0.000 1.031 255 A HN 0.902 nan 8.150 nan 0.000 0.494 256 G N 0.610 109.292 108.800 -0.197 0.000 2.195 256 G HA2 -0.197 3.764 3.960 0.001 0.000 0.224 256 G HA3 -0.197 3.764 3.960 0.001 0.000 0.224 256 G C -0.017 174.526 174.900 -0.594 0.000 0.990 256 G CA 0.220 45.211 45.100 -0.181 0.000 0.639 256 G HN 1.166 nan 8.290 nan 0.000 0.514 257 F N 1.674 121.131 119.950 -0.821 0.000 2.404 257 F HA 0.692 5.219 4.527 0.001 0.000 0.354 257 F C 0.742 176.140 175.800 -0.669 0.000 1.122 257 F CA -1.089 56.444 58.000 -0.778 0.000 1.080 257 F CB 0.878 39.537 39.000 -0.569 0.000 1.131 257 F HN 0.028 nan 8.300 nan 0.000 0.471 258 Y N 3.542 123.493 120.300 -0.582 0.000 2.481 258 Y HA 0.541 5.092 4.550 0.001 0.000 0.247 258 Y C 0.957 176.673 175.900 -0.306 0.000 1.151 258 Y CA -0.102 57.820 58.100 -0.298 0.000 1.238 258 Y CB 0.322 38.642 38.460 -0.234 0.000 1.179 258 Y HN 0.747 nan 8.280 nan 0.000 0.524 259 G N -0.498 107.971 108.800 -0.552 0.000 2.347 259 G HA2 -0.009 3.952 3.960 0.001 0.000 0.477 259 G HA3 -0.009 3.952 3.960 0.001 0.000 0.477 259 G C -0.973 173.731 174.900 -0.327 0.000 1.349 259 G CA -1.151 43.830 45.100 -0.198 0.000 1.000 259 G HN -0.161 nan 8.290 nan 0.000 0.605 260 T N 0.786 115.341 114.554 0.003 0.000 2.884 260 T HA 0.448 4.798 4.350 0.001 0.000 0.298 260 T C -0.291 174.448 174.700 0.065 0.000 0.998 260 T CA 0.307 62.444 62.100 0.063 0.000 1.124 260 T CB 0.951 69.868 68.868 0.080 0.000 0.931 260 T HN 0.650 nan 8.240 nan 0.000 0.531 261 Y N 2.887 123.174 120.300 -0.021 0.000 2.304 261 Y HA 0.411 4.962 4.550 0.002 0.000 0.328 261 Y C 0.456 176.385 175.900 0.048 0.000 1.123 261 Y CA -0.850 57.253 58.100 0.005 0.000 1.218 261 Y CB 0.764 39.240 38.460 0.027 0.000 1.207 261 Y HN 0.621 nan 8.280 nan 0.000 0.495 262 S N 3.918 119.225 115.700 -0.655 0.000 2.630 262 S HA 0.525 4.995 4.470 0.001 0.000 0.173 262 S C 0.237 174.508 174.600 -0.547 0.000 1.048 262 S CA -0.379 57.527 58.200 -0.489 0.000 1.172 262 S CB -0.323 62.766 63.200 -0.184 0.000 1.638 262 S HN 1.640 nan 8.310 nan 0.000 0.429 263 G N 2.942 111.161 108.800 -0.968 0.000 2.552 263 G HA2 -0.344 3.617 3.960 0.001 0.000 0.265 263 G HA3 -0.344 3.617 3.960 0.001 0.000 0.265 263 G C 1.015 175.789 174.900 -0.210 0.000 1.234 263 G CA 0.667 45.529 45.100 -0.396 0.000 0.944 263 G HN 1.774 nan 8.290 nan 0.000 0.568 264 S N -0.233 115.416 115.700 -0.085 0.000 2.507 264 S HA 0.272 4.742 4.470 0.001 0.000 0.235 264 S C 2.341 176.899 174.600 -0.069 0.000 0.988 264 S CA 1.571 59.740 58.200 -0.051 0.000 0.944 264 S CB -0.176 63.004 63.200 -0.033 0.000 0.762 264 S HN 2.103 nan 8.310 nan 0.000 0.526 265 A N 1.022 123.780 122.820 -0.104 0.000 2.235 265 A HA 0.392 4.713 4.320 0.001 0.000 0.208 265 A C 1.252 178.782 177.584 -0.089 0.000 1.172 265 A CA -0.035 51.945 52.037 -0.095 0.000 0.786 265 A CB -0.395 18.537 19.000 -0.114 0.000 0.804 265 A HN 0.461 nan 8.150 nan 0.000 0.479 266 S N 0.342 115.980 115.700 -0.104 0.000 2.608 266 S HA 0.366 4.836 4.470 0.001 0.000 0.261 266 S C 0.851 175.433 174.600 -0.029 0.000 1.314 266 S CA 0.113 58.273 58.200 -0.067 0.000 0.992 266 S CB 0.648 63.822 63.200 -0.043 0.000 0.935 266 S HN 0.670 nan 8.310 nan 0.000 0.564 267 T N -1.023 113.522 114.554 -0.014 0.000 2.828 267 T HA 0.375 4.725 4.350 0.001 0.000 0.290 267 T C 1.594 176.285 174.700 -0.015 0.000 1.019 267 T CA -0.321 61.773 62.100 -0.011 0.000 1.031 267 T CB 0.578 69.445 68.868 -0.002 0.000 1.001 267 T HN 0.571 nan 8.240 nan 0.000 0.531 268 G N 0.488 109.276 108.800 -0.020 0.000 2.440 268 G HA2 -0.073 3.888 3.960 0.001 0.000 0.218 268 G HA3 -0.073 3.888 3.960 0.001 0.000 0.218 268 G C 1.753 176.615 174.900 -0.062 0.000 1.154 268 G CA 0.833 45.913 45.100 -0.033 0.000 0.767 268 G HN 1.106 nan 8.290 nan 0.000 0.552 269 A N 0.135 122.917 122.820 -0.064 0.000 1.865 269 A HA 0.018 4.338 4.320 0.001 0.000 0.217 269 A C 2.644 180.103 177.584 -0.209 0.000 1.191 269 A CA 2.092 54.052 52.037 -0.130 0.000 0.623 269 A CB -0.803 18.176 19.000 -0.036 0.000 0.826 269 A HN 0.289 nan 8.150 nan 0.000 0.444 270 V N 0.262 120.118 119.914 -0.097 0.000 2.261 270 V HA -0.283 3.838 4.120 0.001 0.000 0.246 270 V C 2.546 178.612 176.094 -0.048 0.000 1.047 270 V CA 2.415 64.669 62.300 -0.077 0.000 1.015 270 V CB -0.730 31.097 31.823 0.007 0.000 0.642 270 V HN 0.678 nan 8.190 nan 0.000 0.446 271 K N -0.481 119.926 120.400 0.012 0.000 2.113 271 K HA -0.249 4.072 4.320 0.001 0.000 0.208 271 K C 2.258 178.833 176.600 -0.041 0.000 1.047 271 K CA 1.678 57.997 56.287 0.052 0.000 0.928 271 K CB -0.078 32.445 32.500 0.038 0.000 0.716 271 K HN 0.358 nan 8.250 nan 0.000 0.446 272 E N 0.073 120.207 120.200 -0.109 0.000 2.046 272 E HA -0.081 4.269 4.350 0.001 0.000 0.190 272 E C 1.875 178.349 176.600 -0.210 0.000 0.982 272 E CA 1.068 57.380 56.400 -0.147 0.000 0.800 272 E CB -0.150 29.453 29.700 -0.162 0.000 0.756 272 E HN 0.392 nan 8.360 nan 0.000 0.449 273 A N 1.114 123.740 122.820 -0.324 0.000 1.940 273 A HA -0.164 4.157 4.320 0.001 0.000 0.219 273 A C 2.071 179.511 177.584 -0.241 0.000 1.176 273 A CA 1.275 53.081 52.037 -0.384 0.000 0.631 273 A CB -0.257 18.347 19.000 -0.660 0.000 0.814 273 A HN 0.163 nan 8.150 nan 0.000 0.446 274 I N -0.924 119.513 120.570 -0.221 0.000 2.522 274 I HA -0.025 4.146 4.170 0.001 0.000 0.240 274 I C 2.164 178.160 176.117 -0.202 0.000 1.078 274 I CA 0.980 62.133 61.300 -0.244 0.000 1.422 274 I CB -1.808 35.945 38.000 -0.412 0.000 1.188 274 I HN 0.353 nan 8.210 nan 0.000 0.442 275 E N 0.951 121.056 120.200 -0.158 0.000 2.265 275 E HA -0.123 4.228 4.350 0.001 0.000 0.196 275 E C 2.121 178.670 176.600 -0.085 0.000 0.996 275 E CA 0.938 57.283 56.400 -0.091 0.000 0.832 275 E CB -0.213 29.483 29.700 -0.007 0.000 0.756 275 E HN 0.568 nan 8.360 nan 0.000 0.491 276 G N 1.008 109.746 108.800 -0.103 0.000 2.511 276 G HA2 0.022 3.983 3.960 0.001 0.000 0.217 276 G HA3 0.022 3.983 3.960 0.001 0.000 0.217 276 G C 0.608 175.446 174.900 -0.103 0.000 1.133 276 G CA 0.353 45.394 45.100 -0.099 0.000 0.792 276 G HN 0.282 nan 8.290 nan 0.000 0.539 277 A N 1.250 124.000 122.820 -0.116 0.000 2.407 277 A HA 0.377 4.697 4.320 0.001 0.000 0.248 277 A C 1.300 178.829 177.584 -0.092 0.000 1.082 277 A CA 0.294 52.261 52.037 -0.116 0.000 0.785 277 A CB 0.438 19.365 19.000 -0.122 0.000 1.020 277 A HN 0.361 nan 8.150 nan 0.000 0.489 278 D N 0.433 120.781 120.400 -0.088 0.000 2.347 278 D HA -0.047 4.593 4.640 0.001 0.000 0.215 278 D C 0.424 176.688 176.300 -0.061 0.000 0.976 278 D CA 1.293 55.253 54.000 -0.067 0.000 0.884 278 D CB -0.225 40.539 40.800 -0.059 0.000 0.915 278 D HN 0.566 nan 8.370 nan 0.000 0.526 279 T N -1.758 112.756 114.554 -0.067 0.000 3.109 279 T HA 0.443 4.794 4.350 0.001 0.000 0.311 279 T C -1.004 173.663 174.700 -0.055 0.000 1.011 279 T CA -0.930 61.138 62.100 -0.055 0.000 1.026 279 T CB 1.974 70.808 68.868 -0.056 0.000 1.047 279 T HN -0.041 nan 8.240 nan 0.000 0.448 280 V N 5.807 125.696 119.914 -0.041 0.000 2.487 280 V HA 0.671 4.791 4.120 0.001 0.000 0.298 280 V C -0.912 175.183 176.094 0.001 0.000 1.028 280 V CA -1.211 61.065 62.300 -0.041 0.000 0.860 280 V CB 1.261 33.045 31.823 -0.066 0.000 0.991 280 V HN 0.991 nan 8.190 nan 0.000 0.427 281 L N 6.657 127.883 121.223 0.004 0.000 2.278 281 L HA 0.448 4.789 4.340 0.001 0.000 0.287 281 L C -0.392 176.513 176.870 0.058 0.000 1.072 281 L CA -0.289 54.584 54.840 0.056 0.000 0.819 281 L CB 0.850 42.960 42.059 0.085 0.000 1.176 281 L HN 0.597 nan 8.230 nan 0.000 0.435 282 C N 4.329 123.684 119.300 0.092 0.000 2.223 282 C HA 0.455 4.916 4.460 0.001 0.000 0.324 282 C C 0.490 175.521 174.990 0.068 0.000 1.196 282 C CA -0.806 58.270 59.018 0.098 0.000 1.628 282 C CB 0.125 27.969 27.740 0.174 0.000 2.229 282 C HN 0.491 nan 8.230 nan 0.000 0.486 283 V N 3.245 123.187 119.914 0.047 0.000 2.370 283 V HA 0.662 4.783 4.120 0.001 0.000 0.283 283 V C 1.004 177.064 176.094 -0.058 0.000 1.023 283 V CA 0.534 62.851 62.300 0.028 0.000 0.857 283 V CB 1.023 32.906 31.823 0.099 0.000 0.985 283 V HN 1.142 nan 8.190 nan 0.000 0.443 284 G N 3.388 112.113 108.800 -0.125 0.000 2.283 284 G HA2 -0.255 3.706 3.960 0.001 0.000 0.280 284 G HA3 -0.255 3.706 3.960 0.001 0.000 0.280 284 G C 0.339 175.090 174.900 -0.249 0.000 1.029 284 G CA 0.735 45.682 45.100 -0.255 0.000 0.840 284 G HN 0.903 nan 8.290 nan 0.000 0.505 285 T N -1.059 113.391 114.554 -0.174 0.000 2.889 285 T HA 0.674 5.025 4.350 0.001 0.000 0.291 285 T C 0.151 174.701 174.700 -0.250 0.000 0.995 285 T CA -0.372 61.580 62.100 -0.247 0.000 1.092 285 T CB 0.722 69.381 68.868 -0.350 0.000 0.954 285 T HN 0.404 nan 8.240 nan 0.000 0.506 286 R N 3.192 123.530 120.500 -0.269 0.000 2.539 286 R HA 0.371 4.712 4.340 0.001 0.000 0.295 286 R C -1.456 174.720 176.300 -0.207 0.000 1.138 286 R CA -0.544 55.497 56.100 -0.099 0.000 0.936 286 R CB 0.286 30.719 30.300 0.223 0.000 1.182 286 R HN 0.562 nan 8.270 nan 0.000 0.459 287 F N 2.827 122.842 119.950 0.109 0.000 2.619 287 F HA 0.167 4.695 4.527 0.001 0.000 0.350 287 F C 1.165 177.072 175.800 0.179 0.000 1.259 287 F CA -0.263 57.759 58.000 0.037 0.000 1.204 287 F CB -0.026 38.874 39.000 -0.166 0.000 1.556 287 F HN 0.318 nan 8.300 nan 0.000 0.650 288 T N -2.788 111.907 114.554 0.235 0.000 2.816 288 T HA 0.094 4.445 4.350 0.001 0.000 0.282 288 T C 1.340 176.051 174.700 0.019 0.000 0.993 288 T CA -0.512 61.717 62.100 0.215 0.000 0.994 288 T CB 1.149 70.068 68.868 0.086 0.000 1.025 288 T HN 0.475 nan 8.240 nan 0.000 0.529 289 D N 0.694 120.940 120.400 -0.258 0.000 2.144 289 D HA -0.187 4.454 4.640 0.001 0.000 0.199 289 D C 1.937 178.003 176.300 -0.389 0.000 0.984 289 D CA 2.063 55.580 54.000 -0.804 0.000 0.834 289 D CB -1.350 39.001 40.800 -0.748 0.000 0.955 289 D HN 0.738 nan 8.370 nan 0.000 0.465 290 T N -1.128 113.312 114.554 -0.190 0.000 2.867 290 T HA -0.059 4.292 4.350 0.001 0.000 0.268 290 T C 2.010 176.678 174.700 -0.053 0.000 1.057 290 T CA 0.491 62.526 62.100 -0.108 0.000 1.136 290 T CB -0.392 68.487 68.868 0.017 0.000 0.874 290 T HN 0.025 nan 8.240 nan 0.000 0.466 291 L N 2.216 123.422 121.223 -0.028 0.000 2.395 291 L HA 0.192 4.532 4.340 0.001 0.000 0.218 291 L C 2.416 179.267 176.870 -0.032 0.000 1.130 291 L CA 1.402 56.246 54.840 0.008 0.000 0.826 291 L CB -0.574 41.506 42.059 0.036 0.000 0.941 291 L HN 0.615 nan 8.230 nan 0.000 0.451 292 T N -4.458 110.057 114.554 -0.065 0.000 3.132 292 T HA 0.529 4.879 4.350 0.001 0.000 0.274 292 T C 0.836 175.476 174.700 -0.099 0.000 1.011 292 T CA 0.095 62.163 62.100 -0.055 0.000 0.899 292 T CB 0.108 69.029 68.868 0.088 0.000 1.089 292 T HN 0.193 nan 8.240 nan 0.000 0.543 293 A N 0.621 123.342 122.820 -0.164 0.000 2.578 293 A HA 0.255 4.576 4.320 0.001 0.000 0.298 293 A C 1.470 178.949 177.584 -0.174 0.000 1.472 293 A CA 0.676 52.607 52.037 -0.177 0.000 0.734 293 A CB -2.246 16.668 19.000 -0.143 0.000 1.091 293 A HN 2.294 nan 8.150 nan 0.000 0.426 294 G N -1.192 107.430 108.800 -0.297 0.000 2.212 294 G HA2 0.050 4.010 3.960 0.001 0.000 0.255 294 G HA3 0.050 4.010 3.960 0.001 0.000 0.255 294 G C 0.354 175.164 174.900 -0.150 0.000 1.062 294 G CA 0.209 45.114 45.100 -0.326 0.000 0.815 294 G HN 2.090 nan 8.290 nan 0.000 0.497 295 F N -1.663 118.352 119.950 0.109 0.000 3.039 295 F HA -0.236 4.292 4.527 0.001 0.000 0.287 295 F C 1.651 177.520 175.800 0.114 0.000 0.956 295 F CA 1.787 59.917 58.000 0.218 0.000 0.971 295 F CB -2.533 36.561 39.000 0.157 0.000 0.943 295 F HN 0.854 nan 8.300 nan 0.000 0.766 296 T N -3.270 111.414 114.554 0.217 0.000 3.186 296 T HA 0.128 4.479 4.350 0.001 0.000 0.257 296 T C 0.557 175.287 174.700 0.049 0.000 1.029 296 T CA 0.070 62.209 62.100 0.066 0.000 0.916 296 T CB -0.309 68.565 68.868 0.011 0.000 1.041 296 T HN 0.543 nan 8.240 nan 0.000 0.562 297 H N 0.955 120.027 119.070 0.003 0.000 2.764 297 H HA 0.342 4.899 4.556 0.001 0.000 0.341 297 H C -0.552 174.771 175.328 -0.008 0.000 1.072 297 H CA -0.672 55.387 56.048 0.018 0.000 1.444 297 H CB 0.620 30.366 29.762 -0.028 0.000 1.458 297 H HN 0.146 nan 8.280 nan 0.000 0.572 298 Q N 4.169 123.986 119.800 0.029 0.000 2.636 298 Q HA 0.388 4.728 4.340 0.001 0.000 0.233 298 Q C -0.469 175.503 176.000 -0.046 0.000 1.143 298 Q CA -0.204 55.563 55.803 -0.060 0.000 0.969 298 Q CB 0.734 29.459 28.738 -0.021 0.000 1.185 298 Q HN 0.567 nan 8.270 nan 0.000 0.546 299 L N 1.328 122.495 121.223 -0.093 0.000 2.438 299 L HA 0.511 4.852 4.340 0.001 0.000 0.270 299 L C 0.277 177.105 176.870 -0.070 0.000 0.972 299 L CA -0.747 54.056 54.840 -0.061 0.000 0.831 299 L CB 2.262 44.294 42.059 -0.045 0.000 1.273 299 L HN 0.281 nan 8.230 nan 0.000 0.405 300 T N -1.280 113.247 114.554 -0.046 0.000 2.952 300 T HA 0.479 4.830 4.350 0.001 0.000 0.286 300 T C -2.213 172.479 174.700 -0.014 0.000 1.024 300 T CA -2.013 60.065 62.100 -0.036 0.000 1.029 300 T CB 2.206 71.052 68.868 -0.036 0.000 1.094 300 T HN 0.211 nan 8.240 nan 0.000 0.515 301 P HA -0.030 nan 4.420 nan 0.000 0.215 301 P C 1.701 178.992 177.300 -0.015 0.000 1.157 301 P CA 1.626 64.725 63.100 -0.001 0.000 0.868 301 P CB -0.278 31.426 31.700 0.008 0.000 0.788 302 A N -0.041 122.769 122.820 -0.016 0.000 1.933 302 A HA -0.261 4.060 4.320 0.001 0.000 0.218 302 A C 2.285 179.856 177.584 -0.022 0.000 1.175 302 A CA 1.752 53.778 52.037 -0.018 0.000 0.628 302 A CB -1.436 17.554 19.000 -0.017 0.000 0.814 302 A HN 0.277 nan 8.150 nan 0.000 0.444 303 Q N 0.157 119.943 119.800 -0.023 0.000 2.435 303 Q HA -0.030 4.311 4.340 0.001 0.000 0.207 303 Q C 0.478 176.466 176.000 -0.021 0.000 0.956 303 Q CA 1.173 56.959 55.803 -0.027 0.000 0.917 303 Q CB -0.148 28.570 28.738 -0.033 0.000 0.997 303 Q HN 0.676 nan 8.270 nan 0.000 0.497 304 T N -2.382 112.165 114.554 -0.010 0.000 2.926 304 T HA 0.677 5.027 4.350 0.001 0.000 0.289 304 T C -0.302 174.398 174.700 0.001 0.000 1.054 304 T CA -0.911 61.193 62.100 0.007 0.000 1.015 304 T CB 1.635 70.525 68.868 0.037 0.000 1.167 304 T HN 0.154 nan 8.240 nan 0.000 0.526 305 I N 1.604 122.189 120.570 0.025 0.000 2.529 305 I HA 0.355 4.525 4.170 0.001 0.000 0.284 305 I C -0.536 175.620 176.117 0.065 0.000 1.088 305 I CA -0.725 60.602 61.300 0.045 0.000 1.062 305 I CB 1.856 39.902 38.000 0.077 0.000 1.218 305 I HN 0.904 nan 8.210 nan 0.000 0.442 306 E N 6.517 126.720 120.200 0.005 0.000 2.227 306 E HA 0.708 5.059 4.350 0.001 0.000 0.268 306 E C -1.199 175.409 176.600 0.013 0.000 0.907 306 E CA -0.882 55.537 56.400 0.032 0.000 0.786 306 E CB 2.949 32.688 29.700 0.064 0.000 1.191 306 E HN 0.309 nan 8.360 nan 0.000 0.411 307 V N 0.325 120.261 119.914 0.037 0.000 2.540 307 V HA 0.516 4.637 4.120 0.001 0.000 0.302 307 V C -0.835 175.244 176.094 -0.025 0.000 1.035 307 V CA -0.657 61.635 62.300 -0.012 0.000 0.873 307 V CB 1.497 33.303 31.823 -0.029 0.000 0.992 307 V HN 0.703 nan 8.190 nan 0.000 0.428 308 Q N 4.013 123.805 119.800 -0.013 0.000 2.418 308 Q HA 0.556 4.897 4.340 0.001 0.000 0.276 308 Q C -2.093 173.754 176.000 -0.254 0.000 1.081 308 Q CA -2.110 53.634 55.803 -0.098 0.000 0.864 308 Q CB 1.731 30.481 28.738 0.019 0.000 1.384 308 Q HN 0.467 nan 8.270 nan 0.000 0.467 309 P HA -0.160 nan 4.420 nan 0.000 0.217 309 P C 0.306 177.181 177.300 -0.709 0.000 1.151 309 P CA 1.760 64.413 63.100 -0.745 0.000 0.849 309 P CB 0.254 31.437 31.700 -0.861 0.000 0.787 310 H N -3.279 115.743 119.070 -0.080 0.000 2.916 310 H HA 0.672 5.229 4.556 0.001 0.000 0.262 310 H C 0.211 175.534 175.328 -0.009 0.000 1.178 310 H CA -0.102 55.922 56.048 -0.039 0.000 1.090 310 H CB 0.765 30.520 29.762 -0.013 0.000 1.657 310 H HN 0.026 nan 8.280 nan 0.000 0.601 311 A N 0.677 123.542 122.820 0.074 0.000 2.589 311 A HA 0.773 5.094 4.320 0.001 0.000 0.296 311 A C -1.239 176.466 177.584 0.202 0.000 1.062 311 A CA -0.099 52.038 52.037 0.167 0.000 0.686 311 A CB 1.412 20.546 19.000 0.223 0.000 1.282 311 A HN 0.230 nan 8.150 nan 0.000 0.404 312 A N 0.942 123.845 122.820 0.140 0.000 2.413 312 A HA 0.952 5.273 4.320 0.001 0.000 0.307 312 A C -0.308 177.270 177.584 -0.010 0.000 1.087 312 A CA -0.641 51.348 52.037 -0.081 0.000 0.750 312 A CB 1.436 19.984 19.000 -0.754 0.000 1.296 312 A HN 1.174 nan 8.150 nan 0.000 0.423 313 R N 0.305 120.637 120.500 -0.279 0.000 2.686 313 R HA 0.659 5.000 4.340 0.001 0.000 0.283 313 R C -1.885 174.362 176.300 -0.089 0.000 0.978 313 R CA -0.454 55.339 56.100 -0.512 0.000 0.897 313 R CB 2.085 31.325 30.300 -1.766 0.000 1.192 313 R HN 1.130 nan 8.270 nan 0.000 0.457 314 V N 1.989 121.939 119.914 0.061 0.000 2.482 314 V HA 0.767 4.888 4.120 0.001 0.000 0.295 314 V C 0.484 176.577 176.094 -0.001 0.000 1.026 314 V CA 0.482 62.830 62.300 0.081 0.000 0.856 314 V CB 0.652 32.570 31.823 0.159 0.000 1.001 314 V HN 1.136 nan 8.190 nan 0.000 0.424 315 G N 4.599 113.372 108.800 -0.045 0.000 2.574 315 G HA2 -0.295 3.665 3.960 0.001 0.000 0.301 315 G HA3 -0.295 3.665 3.960 0.001 0.000 0.301 315 G C 0.359 175.212 174.900 -0.078 0.000 1.166 315 G CA 0.840 45.914 45.100 -0.042 0.000 0.971 315 G HN 0.817 nan 8.290 nan 0.000 0.542 316 D N 0.425 120.794 120.400 -0.051 0.000 2.360 316 D HA 0.267 4.908 4.640 0.001 0.000 0.210 316 D C 0.884 177.143 176.300 -0.068 0.000 1.047 316 D CA 0.569 54.547 54.000 -0.038 0.000 0.854 316 D CB 0.811 41.613 40.800 0.004 0.000 0.936 316 D HN 0.301 nan 8.370 nan 0.000 0.514 317 V N 1.257 121.094 119.914 -0.129 0.000 2.439 317 V HA 0.229 4.350 4.120 0.001 0.000 0.282 317 V C -0.431 175.415 176.094 -0.412 0.000 1.039 317 V CA -0.700 61.462 62.300 -0.230 0.000 0.913 317 V CB 1.356 33.022 31.823 -0.263 0.000 0.983 317 V HN -0.011 nan 8.190 nan 0.000 0.460 318 W N 3.640 124.725 121.300 -0.359 0.000 2.551 318 W HA 0.680 5.341 4.660 0.003 0.000 0.330 318 W C -0.718 175.489 176.519 -0.521 0.000 1.063 318 W CA -0.502 56.690 57.345 -0.256 0.000 1.222 318 W CB 1.532 30.928 29.460 -0.107 0.000 1.349 318 W HN 0.400 nan 8.180 nan 0.000 0.536 319 F N 2.323 122.436 119.950 0.271 0.000 2.434 319 F HA 0.286 4.813 4.527 -0.000 0.000 0.367 319 F C 0.735 176.619 175.800 0.140 0.000 1.093 319 F CA -1.103 56.995 58.000 0.162 0.000 1.085 319 F CB 0.524 39.590 39.000 0.109 0.000 1.322 319 F HN 0.082 nan 8.300 nan 0.000 0.452 320 T N -1.326 113.363 114.554 0.226 0.000 2.904 320 T HA 0.545 4.896 4.350 0.001 0.000 0.290 320 T C 1.007 175.784 174.700 0.128 0.000 1.018 320 T CA 0.089 62.282 62.100 0.154 0.000 1.075 320 T CB 1.539 70.454 68.868 0.079 0.000 0.986 320 T HN 1.209 nan 8.240 nan 0.000 0.523 321 G N 1.377 110.239 108.800 0.103 0.000 2.132 321 G HA2 -0.158 3.803 3.960 0.001 0.000 0.228 321 G HA3 -0.158 3.803 3.960 0.001 0.000 0.228 321 G C -0.093 174.853 174.900 0.076 0.000 1.000 321 G CA -0.071 45.079 45.100 0.082 0.000 0.693 321 G HN 0.914 nan 8.290 nan 0.000 0.515 322 I N 0.984 121.589 120.570 0.059 0.000 2.382 322 I HA 0.294 4.465 4.170 0.001 0.000 0.286 322 I C -2.327 173.777 176.117 -0.022 0.000 1.002 322 I CA -2.505 58.792 61.300 -0.006 0.000 1.135 322 I CB 2.263 40.195 38.000 -0.113 0.000 1.288 322 I HN -0.173 nan 8.210 nan 0.000 0.448 323 P HA 0.093 nan 4.420 nan 0.000 0.268 323 P C 0.858 178.094 177.300 -0.107 0.000 1.204 323 P CA -0.092 62.993 63.100 -0.025 0.000 0.768 323 P CB 0.726 32.410 31.700 -0.025 0.000 0.842 324 M N 4.450 123.948 119.600 -0.170 0.000 2.088 324 M HA -0.315 4.165 4.480 0.001 0.000 0.256 324 M C 1.760 177.982 176.300 -0.129 0.000 1.071 324 M CA 2.357 57.538 55.300 -0.199 0.000 1.097 324 M CB -0.499 31.899 32.600 -0.336 0.000 1.315 324 M HN 0.356 nan 8.290 nan 0.000 0.406 325 N N -0.218 118.419 118.700 -0.105 0.000 2.149 325 N HA -0.263 4.478 4.740 0.001 0.000 0.188 325 N C 1.485 176.948 175.510 -0.078 0.000 1.019 325 N CA 2.101 55.107 53.050 -0.073 0.000 0.857 325 N CB -0.791 37.662 38.487 -0.057 0.000 0.997 325 N HN 0.656 nan 8.380 nan 0.000 0.426 326 Q N 0.081 119.828 119.800 -0.089 0.000 2.123 326 Q HA 0.131 4.472 4.340 0.001 0.000 0.199 326 Q C 2.276 178.252 176.000 -0.040 0.000 0.966 326 Q CA 1.367 57.128 55.803 -0.070 0.000 0.845 326 Q CB -0.106 28.590 28.738 -0.069 0.000 0.907 326 Q HN 0.598 nan 8.270 nan 0.000 0.439 327 A N 0.826 123.605 122.820 -0.068 0.000 1.902 327 A HA -0.172 4.148 4.320 0.001 0.000 0.217 327 A C 1.974 179.587 177.584 0.049 0.000 1.181 327 A CA 1.045 53.065 52.037 -0.028 0.000 0.623 327 A CB -0.570 18.275 19.000 -0.257 0.000 0.818 327 A HN 0.302 nan 8.150 nan 0.000 0.443 328 I N -0.623 119.925 120.570 -0.037 0.000 2.179 328 I HA -0.258 3.913 4.170 0.001 0.000 0.242 328 I C 2.584 178.534 176.117 -0.279 0.000 1.088 328 I CA 1.825 63.058 61.300 -0.110 0.000 1.357 328 I CB -0.298 37.676 38.000 -0.042 0.000 1.051 328 I HN 0.423 nan 8.210 nan 0.000 0.409 329 E N 1.034 121.129 120.200 -0.176 0.000 2.070 329 E HA -0.222 4.129 4.350 0.001 0.000 0.197 329 E C 2.031 178.519 176.600 -0.187 0.000 1.004 329 E CA 2.357 58.646 56.400 -0.185 0.000 0.805 329 E CB -0.389 29.251 29.700 -0.099 0.000 0.744 329 E HN 0.337 nan 8.360 nan 0.000 0.451 330 T N 0.722 115.220 114.554 -0.094 0.000 2.746 330 T HA -0.117 4.233 4.350 0.001 0.000 0.267 330 T C 1.523 176.134 174.700 -0.147 0.000 1.039 330 T CA 1.130 63.188 62.100 -0.069 0.000 1.142 330 T CB -0.247 68.656 68.868 0.058 0.000 0.866 330 T HN 0.058 nan 8.240 nan 0.000 0.444 331 L N 0.979 122.099 121.223 -0.172 0.000 2.083 331 L HA -0.007 4.334 4.340 0.001 0.000 0.209 331 L C 2.551 179.191 176.870 -0.384 0.000 1.083 331 L CA 1.151 55.865 54.840 -0.210 0.000 0.752 331 L CB -1.081 40.922 42.059 -0.093 0.000 0.899 331 L HN 0.145 nan 8.230 nan 0.000 0.433 332 V N -0.706 118.774 119.914 -0.724 0.000 2.295 332 V HA -0.276 3.845 4.120 0.001 0.000 0.246 332 V C 2.404 178.322 176.094 -0.293 0.000 1.049 332 V CA 1.572 63.403 62.300 -0.781 0.000 1.024 332 V CB -0.489 30.849 31.823 -0.808 0.000 0.648 332 V HN 0.460 nan 8.190 nan 0.000 0.447 333 E N 0.075 120.147 120.200 -0.212 0.000 2.058 333 E HA -0.206 4.145 4.350 0.001 0.000 0.194 333 E C 2.238 178.814 176.600 -0.039 0.000 0.997 333 E CA 1.397 57.736 56.400 -0.102 0.000 0.801 333 E CB -0.221 29.428 29.700 -0.086 0.000 0.746 333 E HN 0.501 nan 8.360 nan 0.000 0.450 334 L N 0.278 121.472 121.223 -0.047 0.000 2.093 334 L HA -0.190 4.150 4.340 0.001 0.000 0.208 334 L C 2.611 179.562 176.870 0.136 0.000 1.085 334 L CA 0.574 55.432 54.840 0.030 0.000 0.755 334 L CB -0.399 41.618 42.059 -0.071 0.000 0.904 334 L HN 0.321 nan 8.230 nan 0.000 0.435 335 C N 0.226 119.581 119.300 0.093 0.000 2.425 335 C HA -0.149 4.312 4.460 0.001 0.000 0.277 335 C C 2.732 177.838 174.990 0.194 0.000 1.280 335 C CA 0.748 59.876 59.018 0.183 0.000 1.744 335 C CB -0.663 27.269 27.740 0.321 0.000 1.989 335 C HN 0.426 nan 8.230 nan 0.000 0.491 336 K N 0.214 120.689 120.400 0.125 0.000 2.280 336 K HA -0.156 4.165 4.320 0.001 0.000 0.202 336 K C 1.927 178.571 176.600 0.073 0.000 1.047 336 K CA 1.071 57.411 56.287 0.089 0.000 0.942 336 K CB -0.175 32.348 32.500 0.039 0.000 0.739 336 K HN 0.626 nan 8.250 nan 0.000 0.457 337 Q N -0.284 119.582 119.800 0.109 0.000 2.451 337 Q HA -0.028 4.313 4.340 0.001 0.000 0.206 337 Q C -0.476 175.368 176.000 -0.260 0.000 0.947 337 Q CA 0.616 56.391 55.803 -0.047 0.000 0.937 337 Q CB 0.352 29.054 28.738 -0.060 0.000 1.025 337 Q HN 0.387 nan 8.270 nan 0.000 0.511 338 H N -0.861 118.226 119.070 0.028 0.000 2.917 338 H HA 0.253 4.809 4.556 -0.001 0.000 0.279 338 H C -0.818 174.547 175.328 0.062 0.000 1.211 338 H CA -0.857 55.213 56.048 0.038 0.000 1.534 338 H CB 0.577 30.358 29.762 0.031 0.000 1.581 338 H HN -0.069 nan 8.280 nan 0.000 0.510 339 V N -0.411 119.585 119.914 0.136 0.000 2.837 339 V HA 0.573 4.693 4.120 0.001 0.000 0.310 339 V C 0.021 176.210 176.094 0.159 0.000 1.059 339 V CA -0.465 61.912 62.300 0.128 0.000 1.004 339 V CB 2.143 34.009 31.823 0.073 0.000 1.045 339 V HN 0.804 nan 8.190 nan 0.000 0.465 340 H N 1.588 120.685 119.070 0.046 0.000 2.961 340 H HA 0.706 5.262 4.556 -0.000 0.000 0.371 340 H C 0.149 175.492 175.328 0.026 0.000 1.190 340 H CA 0.013 56.081 56.048 0.033 0.000 1.138 340 H CB 2.170 31.952 29.762 0.033 0.000 1.816 340 H HN 1.206 nan 8.280 nan 0.000 0.551 357 D N -1.481 118.922 120.400 0.005 0.000 2.446 357 D HA 0.623 5.263 4.640 0.001 0.000 0.288 357 D C 0.817 177.120 176.300 0.003 0.000 1.195 357 D CA 0.184 54.188 54.000 0.008 0.000 1.095 357 D CB 0.092 40.901 40.800 0.014 0.000 1.153 357 D HN 0.496 nan 8.370 nan 0.000 0.568 358 G N -0.932 107.871 108.800 0.005 0.000 2.508 358 G HA2 0.145 4.106 3.960 0.001 0.000 0.167 358 G HA3 0.145 4.106 3.960 0.001 0.000 0.167 358 G C -0.140 174.762 174.900 0.003 0.000 1.534 358 G CA 0.059 45.161 45.100 0.003 0.000 0.707 358 G HN 0.442 nan 8.290 nan 0.000 0.717 359 S N 0.757 116.460 115.700 0.005 0.000 2.533 359 S HA 0.410 4.880 4.470 0.001 0.000 0.282 359 S C 0.408 175.012 174.600 0.008 0.000 1.304 359 S CA -0.542 57.660 58.200 0.004 0.000 1.063 359 S CB -0.089 63.113 63.200 0.004 0.000 0.881 359 S HN 0.252 nan 8.310 nan 0.000 0.493 360 L N 4.727 125.952 121.223 0.003 0.000 2.456 360 L HA 0.346 4.687 4.340 0.001 0.000 0.272 360 L C 0.791 177.665 176.870 0.007 0.000 1.189 360 L CA -0.078 54.767 54.840 0.008 0.000 0.846 360 L CB 0.757 42.811 42.059 -0.008 0.000 1.111 360 L HN 0.904 nan 8.230 nan 0.000 0.475 361 T N -1.726 112.847 114.554 0.032 0.000 2.843 361 T HA 0.212 4.562 4.350 0.001 0.000 0.302 361 T C 0.384 175.136 174.700 0.086 0.000 1.232 361 T CA -0.927 61.199 62.100 0.042 0.000 1.009 361 T CB 1.705 70.606 68.868 0.055 0.000 1.254 361 T HN 0.452 nan 8.240 nan 0.000 0.504 362 Q N 0.425 120.292 119.800 0.112 0.000 2.112 362 Q HA -0.200 4.140 4.340 0.001 0.000 0.206 362 Q C 1.890 178.105 176.000 0.357 0.000 0.987 362 Q CA 2.445 58.392 55.803 0.241 0.000 0.858 362 Q CB -0.384 28.536 28.738 0.304 0.000 0.905 362 Q HN 0.933 nan 8.270 nan 0.000 0.420 363 E N 2.083 122.429 120.200 0.245 0.000 2.021 363 E HA -0.233 4.118 4.350 0.001 0.000 0.200 363 E C 1.418 178.128 176.600 0.184 0.000 1.015 363 E CA 2.141 58.669 56.400 0.213 0.000 0.824 363 E CB -0.367 29.411 29.700 0.130 0.000 0.762 363 E HN 0.523 nan 8.360 nan 0.000 0.454 364 N N -0.334 118.439 118.700 0.122 0.000 2.459 364 N HA -0.111 4.630 4.740 0.001 0.000 0.181 364 N C 1.677 177.212 175.510 0.041 0.000 1.046 364 N CA 1.116 54.210 53.050 0.073 0.000 0.904 364 N CB -0.651 37.863 38.487 0.046 0.000 0.964 364 N HN 0.330 nan 8.380 nan 0.000 0.444 365 F N 0.100 119.991 119.950 -0.097 0.000 2.098 365 F HA 0.069 4.597 4.527 0.001 0.000 0.294 365 F C 1.511 177.142 175.800 -0.282 0.000 1.107 365 F CA 1.026 58.868 58.000 -0.264 0.000 1.234 365 F CB -0.440 38.289 39.000 -0.452 0.000 1.002 365 F HN -0.001 nan 8.300 nan 0.000 0.472 366 W N 0.466 121.714 121.300 -0.086 0.000 2.402 366 W HA -0.077 4.584 4.660 0.002 0.000 0.286 366 W C 2.687 179.116 176.519 -0.149 0.000 1.221 366 W CA 1.110 58.357 57.345 -0.163 0.000 1.257 366 W CB -0.441 29.054 29.460 0.059 0.000 1.120 366 W HN -0.086 nan 8.180 nan 0.000 0.551 367 R N 0.108 120.670 120.500 0.104 0.000 2.096 367 R HA -0.118 4.223 4.340 0.001 0.000 0.235 367 R C 2.047 178.335 176.300 -0.020 0.000 1.127 367 R CA 2.119 58.253 56.100 0.057 0.000 0.968 367 R CB -0.678 29.656 30.300 0.056 0.000 0.861 367 R HN -0.031 nan 8.270 nan 0.000 0.440 368 T N 0.853 115.338 114.554 -0.115 0.000 2.737 368 T HA -0.108 4.243 4.350 0.001 0.000 0.265 368 T C 1.518 176.126 174.700 -0.153 0.000 1.038 368 T CA 1.114 63.128 62.100 -0.144 0.000 1.144 368 T CB -0.245 68.496 68.868 -0.212 0.000 0.866 368 T HN 0.100 nan 8.240 nan 0.000 0.434 369 L N 1.460 122.501 121.223 -0.303 0.000 2.127 369 L HA -0.092 4.248 4.340 0.001 0.000 0.211 369 L C 2.535 179.437 176.870 0.054 0.000 1.089 369 L CA 1.682 56.410 54.840 -0.187 0.000 0.757 369 L CB -0.744 41.096 42.059 -0.366 0.000 0.899 369 L HN 0.152 nan 8.230 nan 0.000 0.434 370 Q N -0.573 119.258 119.800 0.050 0.000 2.096 370 Q HA -0.216 4.124 4.340 0.001 0.000 0.204 370 Q C 2.155 178.192 176.000 0.062 0.000 0.982 370 Q CA 2.584 58.433 55.803 0.076 0.000 0.850 370 Q CB -0.628 28.150 28.738 0.067 0.000 0.901 370 Q HN 0.643 nan 8.270 nan 0.000 0.422 371 T N -2.494 112.095 114.554 0.059 0.000 3.118 371 T HA -0.036 4.315 4.350 0.001 0.000 0.260 371 T C 1.357 176.115 174.700 0.097 0.000 1.139 371 T CA 0.611 62.745 62.100 0.056 0.000 1.085 371 T CB -0.370 68.523 68.868 0.043 0.000 0.934 371 T HN 0.304 nan 8.240 nan 0.000 0.518 372 F N 2.716 122.641 119.950 -0.041 0.000 2.374 372 F HA 0.402 4.930 4.527 0.001 0.000 0.291 372 F C 0.775 176.564 175.800 -0.019 0.000 1.084 372 F CA -1.514 56.463 58.000 -0.038 0.000 1.413 372 F CB -0.022 38.941 39.000 -0.062 0.000 1.099 372 F HN 0.254 nan 8.300 nan 0.000 0.534 373 I N 1.025 121.534 120.570 -0.101 0.000 2.752 373 I HA 0.225 4.396 4.170 0.001 0.000 0.287 373 I C -0.101 175.896 176.117 -0.201 0.000 1.188 373 I CA -0.186 61.008 61.300 -0.175 0.000 1.427 373 I CB 0.526 38.528 38.000 0.003 0.000 1.365 373 I HN 0.132 nan 8.210 nan 0.000 0.585 374 R N 5.276 125.644 120.500 -0.220 0.000 2.837 374 R HA 0.598 4.939 4.340 0.001 0.000 0.271 374 R C -2.749 173.487 176.300 -0.107 0.000 0.993 374 R CA -1.801 54.199 56.100 -0.167 0.000 0.931 374 R CB 2.018 32.187 30.300 -0.218 0.000 1.206 374 R HN 0.425 nan 8.270 nan 0.000 0.474 375 P HA 0.075 nan 4.420 nan 0.000 0.266 375 P C 0.007 177.278 177.300 -0.049 0.000 1.193 375 P CA 1.196 64.266 63.100 -0.051 0.000 0.770 375 P CB 0.653 32.328 31.700 -0.041 0.000 0.836 376 G N 0.899 109.681 108.800 -0.030 0.000 2.176 376 G HA2 -0.193 3.768 3.960 0.001 0.000 0.253 376 G HA3 -0.193 3.768 3.960 0.001 0.000 0.253 376 G C 0.030 174.908 174.900 -0.037 0.000 0.979 376 G CA -0.222 44.862 45.100 -0.027 0.000 0.641 376 G HN 0.502 nan 8.290 nan 0.000 0.530 377 D N 0.082 120.457 120.400 -0.042 0.000 2.362 377 D HA 0.530 5.171 4.640 0.001 0.000 0.242 377 D C 0.804 177.095 176.300 -0.016 0.000 1.132 377 D CA 0.195 54.169 54.000 -0.044 0.000 0.907 377 D CB 0.833 41.605 40.800 -0.047 0.000 1.195 377 D HN 0.288 nan 8.370 nan 0.000 0.429 378 I N 2.533 123.087 120.570 -0.027 0.000 2.382 378 I HA 0.301 4.471 4.170 0.001 0.000 0.285 378 I C -0.320 175.784 176.117 -0.022 0.000 1.007 378 I CA -0.480 60.806 61.300 -0.024 0.000 1.142 378 I CB 0.980 38.950 38.000 -0.050 0.000 1.289 378 I HN 0.051 nan 8.210 nan 0.000 0.453 379 I N 7.264 127.821 120.570 -0.021 0.000 2.378 379 I HA 0.416 4.587 4.170 0.001 0.000 0.291 379 I C -0.895 175.076 176.117 -0.243 0.000 0.992 379 I CA -0.711 60.554 61.300 -0.058 0.000 1.154 379 I CB 1.691 39.727 38.000 0.060 0.000 1.315 379 I HN 0.303 nan 8.210 nan 0.000 0.448 380 L N 6.277 127.387 121.223 -0.189 0.000 2.362 380 L HA 0.830 5.171 4.340 0.001 0.000 0.275 380 L C -0.178 176.580 176.870 -0.188 0.000 0.998 380 L CA -0.321 54.380 54.840 -0.231 0.000 0.820 380 L CB 1.908 43.882 42.059 -0.142 0.000 1.270 380 L HN 0.670 nan 8.230 nan 0.000 0.415 381 A N 1.438 124.115 122.820 -0.237 0.000 2.359 381 A HA 0.633 4.953 4.320 0.001 0.000 0.303 381 A C -1.059 176.460 177.584 -0.108 0.000 1.066 381 A CA -0.583 51.380 52.037 -0.124 0.000 0.730 381 A CB 1.082 20.016 19.000 -0.111 0.000 1.211 381 A HN 0.614 nan 8.150 nan 0.000 0.439 382 D N 0.615 120.977 120.400 -0.062 0.000 2.383 382 D HA 0.313 4.953 4.640 0.001 0.000 0.248 382 D C 0.076 176.310 176.300 -0.110 0.000 1.170 382 D CA 0.062 54.025 54.000 -0.062 0.000 0.977 382 D CB 0.919 41.697 40.800 -0.035 0.000 1.120 382 D HN 0.519 nan 8.370 nan 0.000 0.481 383 Q N -0.345 119.392 119.800 -0.106 0.000 2.349 383 Q HA 0.404 4.744 4.340 0.001 0.000 0.287 383 Q C 0.376 176.361 176.000 -0.026 0.000 1.044 383 Q CA 1.167 56.905 55.803 -0.108 0.000 0.918 383 Q CB 0.409 29.110 28.738 -0.061 0.000 1.242 383 Q HN 0.678 nan 8.270 nan 0.000 0.405 384 G N 0.614 109.455 108.800 0.068 0.000 2.384 384 G HA2 -0.238 3.723 3.960 0.001 0.000 0.204 384 G HA3 -0.238 3.723 3.960 0.001 0.000 0.204 384 G C 0.572 175.603 174.900 0.218 0.000 1.237 384 G CA 0.170 45.376 45.100 0.176 0.000 1.060 384 G HN 0.823 nan 8.290 nan 0.000 0.514 385 T N -1.460 113.213 114.554 0.199 0.000 2.803 385 T HA -0.043 4.308 4.350 0.001 0.000 0.269 385 T C 2.398 177.275 174.700 0.296 0.000 1.052 385 T CA 2.756 65.005 62.100 0.249 0.000 1.136 385 T CB -0.473 68.527 68.868 0.220 0.000 0.864 385 T HN 0.894 nan 8.240 nan 0.000 0.467 386 S N 2.060 117.897 115.700 0.228 0.000 2.351 386 S HA 0.019 4.489 4.470 0.001 0.000 0.220 386 S C 2.676 177.336 174.600 0.100 0.000 1.035 386 S CA 1.262 59.654 58.200 0.320 0.000 1.031 386 S CB -1.025 62.264 63.200 0.149 0.000 0.928 386 S HN 0.798 nan 8.310 nan 0.000 0.433 387 A N 0.873 123.593 122.820 -0.168 0.000 1.902 387 A HA -0.005 4.316 4.320 0.001 0.000 0.217 387 A C 1.698 178.966 177.584 -0.527 0.000 1.181 387 A CA 1.390 53.179 52.037 -0.413 0.000 0.623 387 A CB -0.828 17.745 19.000 -0.711 0.000 0.818 387 A HN 0.489 nan 8.150 nan 0.000 0.443 388 F N 0.052 119.969 119.950 -0.055 0.000 2.802 388 F HA 0.194 4.721 4.527 0.001 0.000 0.300 388 F C 2.185 177.829 175.800 -0.261 0.000 1.168 388 F CA 0.301 58.233 58.000 -0.114 0.000 1.433 388 F CB -0.475 38.486 39.000 -0.065 0.000 1.115 388 F HN 0.259 nan 8.300 nan 0.000 0.582 389 G N -0.627 107.929 108.800 -0.407 0.000 2.641 389 G HA2 0.119 4.079 3.960 0.001 0.000 0.207 389 G HA3 0.119 4.079 3.960 0.001 0.000 0.207 389 G C 1.811 175.742 174.900 -1.615 0.000 1.137 389 G CA 0.517 44.888 45.100 -1.215 0.000 0.824 389 G HN 0.298 nan 8.290 nan 0.000 0.547 390 A N 0.767 122.839 122.820 -1.248 0.000 2.070 390 A HA 0.115 4.435 4.320 0.001 0.000 0.220 390 A C 2.189 179.657 177.584 -0.193 0.000 1.159 390 A CA 0.951 52.688 52.037 -0.500 0.000 0.656 390 A CB -0.366 18.697 19.000 0.106 0.000 0.800 390 A HN 0.410 nan 8.150 nan 0.000 0.453 391 I N -0.593 119.851 120.570 -0.210 0.000 2.567 391 I HA -0.202 3.968 4.170 0.001 0.000 0.257 391 I C 0.698 176.727 176.117 -0.147 0.000 1.184 391 I CA 1.554 62.770 61.300 -0.140 0.000 1.451 391 I CB -0.062 37.909 38.000 -0.049 0.000 1.089 391 I HN 0.232 nan 8.210 nan 0.000 0.441 392 D N 0.755 121.046 120.400 -0.181 0.000 2.339 392 D HA 0.147 4.788 4.640 0.001 0.000 0.217 392 D C 0.676 176.944 176.300 -0.054 0.000 1.050 392 D CA 0.128 54.068 54.000 -0.100 0.000 0.856 392 D CB 0.178 40.917 40.800 -0.102 0.000 0.922 392 D HN 0.299 nan 8.370 nan 0.000 0.518 393 L N 1.368 122.549 121.223 -0.070 0.000 2.455 393 L HA 0.076 4.417 4.340 0.001 0.000 0.272 393 L C 1.043 177.892 176.870 -0.035 0.000 1.174 393 L CA 0.129 54.969 54.840 0.000 0.000 0.869 393 L CB 0.665 42.761 42.059 0.061 0.000 1.130 393 L HN -0.321 nan 8.230 nan 0.000 0.474 394 R N 3.666 124.161 120.500 -0.009 0.000 2.235 394 R HA 0.277 4.618 4.340 0.001 0.000 0.338 394 R C -0.957 175.296 176.300 -0.078 0.000 1.087 394 R CA -0.938 55.138 56.100 -0.040 0.000 0.948 394 R CB 0.321 30.616 30.300 -0.009 0.000 1.099 394 R HN 0.362 nan 8.270 nan 0.000 0.483 395 L N 7.133 128.271 121.223 -0.140 0.000 2.380 395 L HA 0.293 4.634 4.340 0.001 0.000 0.273 395 L C -1.896 174.901 176.870 -0.122 0.000 1.138 395 L CA -1.732 53.037 54.840 -0.118 0.000 0.832 395 L CB 0.607 42.583 42.059 -0.139 0.000 1.124 395 L HN 0.497 nan 8.230 nan 0.000 0.454 396 P HA 0.290 nan 4.420 nan 0.000 0.318 396 P C -1.083 176.184 177.300 -0.055 0.000 1.309 396 P CA -0.560 62.501 63.100 -0.065 0.000 0.736 396 P CB 0.473 32.141 31.700 -0.052 0.000 1.440 397 A N -0.638 122.159 122.820 -0.037 0.000 2.257 397 A HA 0.306 4.627 4.320 0.001 0.000 0.289 397 A C -0.004 177.575 177.584 -0.007 0.000 1.095 397 A CA -0.211 51.816 52.037 -0.017 0.000 0.836 397 A CB -0.921 18.073 19.000 -0.010 0.000 1.111 397 A HN 0.698 nan 8.150 nan 0.000 0.497 398 D N -1.324 119.084 120.400 0.012 0.000 2.686 398 D HA -0.147 4.494 4.640 0.001 0.000 0.235 398 D C -0.301 176.006 176.300 0.012 0.000 1.160 398 D CA 1.389 55.401 54.000 0.021 0.000 0.645 398 D CB -1.312 39.499 40.800 0.018 0.000 1.039 398 D HN 0.803 nan 8.370 nan 0.000 0.423 399 V N 0.124 120.049 119.914 0.017 0.000 2.495 399 V HA 0.370 4.491 4.120 0.001 0.000 0.298 399 V C -0.242 175.888 176.094 0.061 0.000 1.031 399 V CA -0.981 61.337 62.300 0.031 0.000 0.871 399 V CB 2.039 33.885 31.823 0.038 0.000 0.988 399 V HN 0.204 nan 8.190 nan 0.000 0.432 400 N N 5.211 123.945 118.700 0.057 0.000 2.462 400 N HA 0.344 5.085 4.740 0.001 0.000 0.242 400 N C -1.369 174.212 175.510 0.118 0.000 1.010 400 N CA -0.588 52.503 53.050 0.068 0.000 0.939 400 N CB 0.553 39.050 38.487 0.016 0.000 1.127 400 N HN 0.711 nan 8.380 nan 0.000 0.509 401 F N 6.043 125.991 119.950 -0.002 0.000 2.371 401 F HA 0.448 4.975 4.527 0.001 0.000 0.363 401 F C -0.582 175.228 175.800 0.016 0.000 1.122 401 F CA -0.681 57.323 58.000 0.007 0.000 1.129 401 F CB 0.446 39.449 39.000 0.006 0.000 1.173 401 F HN 0.349 nan 8.300 nan 0.000 0.489 402 I N 7.737 128.126 120.570 -0.302 0.000 2.328 402 I HA 0.427 4.598 4.170 0.001 0.000 0.287 402 I C -0.839 175.122 176.117 -0.260 0.000 1.012 402 I CA -0.802 60.399 61.300 -0.166 0.000 1.195 402 I CB 1.386 39.349 38.000 -0.062 0.000 1.350 402 I HN 0.340 nan 8.210 nan 0.000 0.464 403 V N 6.447 126.285 119.914 -0.128 0.000 3.078 403 V HA 0.401 4.522 4.120 0.001 0.000 0.311 403 V C -0.981 175.043 176.094 -0.117 0.000 1.138 403 V CA -0.271 61.953 62.300 -0.127 0.000 1.007 403 V CB 2.512 34.287 31.823 -0.079 0.000 1.045 403 V HN 0.832 nan 8.190 nan 0.000 0.432 404 Q N 4.645 124.335 119.800 -0.184 0.000 2.943 404 Q HA 0.411 4.752 4.340 0.001 0.000 0.327 404 Q C -2.256 173.640 176.000 -0.174 0.000 0.937 404 Q CA -1.548 54.101 55.803 -0.257 0.000 0.914 404 Q CB 1.666 30.084 28.738 -0.533 0.000 1.339 404 Q HN 0.620 nan 8.270 nan 0.000 0.417 405 P HA -0.115 nan 4.420 nan 0.000 0.222 405 P C 0.982 178.252 177.300 -0.049 0.000 1.153 405 P CA 0.421 63.478 63.100 -0.071 0.000 0.798 405 P CB 0.329 32.005 31.700 -0.039 0.000 0.796 406 L N -1.395 119.783 121.223 -0.075 0.000 2.034 406 L HA 0.061 4.401 4.340 0.001 0.000 0.203 406 L C 2.162 179.089 176.870 0.095 0.000 1.074 406 L CA 1.642 56.478 54.840 -0.008 0.000 0.748 406 L CB -1.592 40.437 42.059 -0.050 0.000 0.905 406 L HN 0.025 nan 8.230 nan 0.000 0.439 407 W N 0.824 122.051 121.300 -0.121 0.000 2.407 407 W HA 0.013 4.674 4.660 0.001 0.000 0.305 407 W C 1.229 177.693 176.519 -0.092 0.000 1.196 407 W CA 1.144 58.434 57.345 -0.090 0.000 1.311 407 W CB -0.058 29.334 29.460 -0.112 0.000 1.135 407 W HN 0.435 nan 8.180 nan 0.000 0.514 408 G N 1.739 110.462 108.800 -0.129 0.000 2.295 408 G HA2 -0.291 3.670 3.960 0.001 0.000 0.287 408 G HA3 -0.291 3.670 3.960 0.001 0.000 0.287 408 G C -0.149 174.580 174.900 -0.286 0.000 1.055 408 G CA 0.548 45.522 45.100 -0.210 0.000 0.922 408 G HN 0.291 nan 8.290 nan 0.000 0.503 409 S N 0.048 115.593 115.700 -0.258 0.000 2.411 409 S HA 0.582 5.052 4.470 0.001 0.000 0.294 409 S C 1.065 175.613 174.600 -0.086 0.000 1.115 409 S CA -0.490 57.609 58.200 -0.169 0.000 1.071 409 S CB -0.018 63.214 63.200 0.054 0.000 0.967 409 S HN 1.099 nan 8.310 nan 0.000 0.488 410 I N 2.728 123.250 120.570 -0.081 0.000 2.634 410 I HA 0.615 4.785 4.170 0.001 0.000 0.284 410 I C 1.193 177.305 176.117 -0.009 0.000 1.124 410 I CA 0.479 61.748 61.300 -0.051 0.000 1.417 410 I CB 0.264 38.225 38.000 -0.064 0.000 1.396 410 I HN 0.814 nan 8.210 nan 0.000 0.571 411 G N 4.135 112.923 108.800 -0.019 0.000 2.259 411 G HA2 -0.373 3.587 3.960 0.001 0.000 0.217 411 G HA3 -0.373 3.587 3.960 0.001 0.000 0.217 411 G C 0.527 175.332 174.900 -0.158 0.000 1.001 411 G CA 0.484 45.590 45.100 0.010 0.000 0.627 411 G HN 0.934 nan 8.290 nan 0.000 0.501 412 Y N 2.634 122.600 120.300 -0.557 0.000 2.114 412 Y HA -0.180 4.370 4.550 0.001 0.000 0.282 412 Y C 3.073 178.707 175.900 -0.443 0.000 1.165 412 Y CA 3.785 61.289 58.100 -0.992 0.000 1.148 412 Y CB -0.545 37.460 38.460 -0.757 0.000 0.972 412 Y HN 0.565 nan 8.280 nan 0.000 0.504 413 T N -1.188 113.178 114.554 -0.312 0.000 2.788 413 T HA -0.217 4.133 4.350 0.001 0.000 0.268 413 T C 1.857 176.406 174.700 -0.252 0.000 1.044 413 T CA 1.393 63.302 62.100 -0.318 0.000 1.139 413 T CB -0.874 67.938 68.868 -0.094 0.000 0.867 413 T HN 0.342 nan 8.240 nan 0.000 0.454 414 L N 1.778 122.914 121.223 -0.146 0.000 2.017 414 L HA 0.231 4.572 4.340 0.001 0.000 0.208 414 L C 2.884 179.722 176.870 -0.053 0.000 1.073 414 L CA 1.967 56.775 54.840 -0.054 0.000 0.745 414 L CB -1.344 40.728 42.059 0.022 0.000 0.894 414 L HN 0.392 nan 8.230 nan 0.000 0.432 415 A N -0.799 121.974 122.820 -0.078 0.000 1.897 415 A HA 0.006 4.327 4.320 0.001 0.000 0.215 415 A C 2.430 179.953 177.584 -0.101 0.000 1.181 415 A CA 1.484 53.517 52.037 -0.006 0.000 0.620 415 A CB -1.109 17.977 19.000 0.143 0.000 0.821 415 A HN 0.542 nan 8.150 nan 0.000 0.443 416 A N 0.075 122.662 122.820 -0.390 0.000 1.940 416 A HA 0.107 4.427 4.320 0.001 0.000 0.219 416 A C 2.470 179.914 177.584 -0.234 0.000 1.176 416 A CA 2.120 53.874 52.037 -0.472 0.000 0.631 416 A CB -0.976 17.419 19.000 -1.008 0.000 0.814 416 A HN 1.063 nan 8.150 nan 0.000 0.446 417 A N -1.081 121.641 122.820 -0.164 0.000 1.940 417 A HA -0.078 4.243 4.320 0.001 0.000 0.219 417 A C 2.014 179.604 177.584 0.010 0.000 1.176 417 A CA 1.690 53.687 52.037 -0.068 0.000 0.631 417 A CB -0.720 18.260 19.000 -0.033 0.000 0.814 417 A HN 0.743 nan 8.150 nan 0.000 0.446 418 F N 1.312 121.203 119.950 -0.097 0.000 2.134 418 F HA -0.038 4.490 4.527 0.001 0.000 0.299 418 F C 2.245 178.026 175.800 -0.033 0.000 1.097 418 F CA 1.393 59.363 58.000 -0.051 0.000 1.264 418 F CB -0.848 38.124 39.000 -0.047 0.000 1.001 418 F HN 0.175 nan 8.300 nan 0.000 0.479 419 G N -0.321 108.339 108.800 -0.234 0.000 2.418 419 G HA2 -0.179 3.782 3.960 0.001 0.000 0.217 419 G HA3 -0.179 3.782 3.960 0.001 0.000 0.217 419 G C 1.845 176.680 174.900 -0.109 0.000 1.158 419 G CA 0.849 45.773 45.100 -0.293 0.000 0.771 419 G HN 0.628 nan 8.290 nan 0.000 0.545 420 A N -0.091 122.655 122.820 -0.125 0.000 1.877 420 A HA -0.064 4.257 4.320 0.001 0.000 0.216 420 A C 2.374 179.877 177.584 -0.135 0.000 1.186 420 A CA 1.871 53.835 52.037 -0.122 0.000 0.620 420 A CB -0.406 18.532 19.000 -0.102 0.000 0.822 420 A HN 0.303 nan 8.150 nan 0.000 0.443 421 Q N -0.508 119.218 119.800 -0.124 0.000 2.084 421 Q HA -0.137 4.203 4.340 0.001 0.000 0.202 421 Q C 2.238 178.145 176.000 -0.156 0.000 0.978 421 Q CA 2.083 57.818 55.803 -0.113 0.000 0.844 421 Q CB -0.895 27.805 28.738 -0.063 0.000 0.898 421 Q HN 0.681 nan 8.270 nan 0.000 0.426 422 T N 1.022 115.436 114.554 -0.234 0.000 2.759 422 T HA -0.135 4.215 4.350 0.001 0.000 0.269 422 T C 1.744 176.293 174.700 -0.252 0.000 1.042 422 T CA 1.465 63.401 62.100 -0.275 0.000 1.140 422 T CB -0.163 68.513 68.868 -0.319 0.000 0.864 422 T HN 0.404 nan 8.240 nan 0.000 0.455 423 A N -0.055 122.620 122.820 -0.242 0.000 1.970 423 A HA 0.091 4.411 4.320 0.001 0.000 0.216 423 A C 1.409 178.858 177.584 -0.224 0.000 1.170 423 A CA 0.501 52.287 52.037 -0.417 0.000 0.645 423 A CB -0.120 18.426 19.000 -0.756 0.000 0.816 423 A HN 0.578 nan 8.150 nan 0.000 0.447 424 C N -0.259 118.945 119.300 -0.160 0.000 3.188 424 C HA 0.395 4.855 4.460 0.001 0.000 0.230 424 C C -1.769 173.181 174.990 -0.066 0.000 1.239 424 C CA -0.888 58.072 59.018 -0.097 0.000 1.494 424 C CB 0.332 28.015 27.740 -0.095 0.000 1.798 424 C HN 0.365 nan 8.230 nan 0.000 0.458 425 P HA -0.109 nan 4.420 nan 0.000 0.218 425 P C 0.897 178.208 177.300 0.019 0.000 1.148 425 P CA 1.512 64.602 63.100 -0.017 0.000 0.822 425 P CB 0.107 31.811 31.700 0.006 0.000 0.784 426 N N -0.646 118.069 118.700 0.025 0.000 2.279 426 N HA 0.104 4.845 4.740 0.001 0.000 0.226 426 N C 0.184 175.721 175.510 0.046 0.000 1.126 426 N CA 0.172 53.260 53.050 0.063 0.000 0.846 426 N CB 0.401 38.923 38.487 0.057 0.000 1.050 426 N HN 0.243 nan 8.380 nan 0.000 0.502 427 R N 0.402 120.894 120.500 -0.014 0.000 2.740 427 R HA 0.358 4.698 4.340 0.001 0.000 0.282 427 R C -0.052 176.146 176.300 -0.170 0.000 0.969 427 R CA -0.778 55.287 56.100 -0.058 0.000 0.918 427 R CB 2.302 32.568 30.300 -0.056 0.000 1.175 427 R HN -0.029 nan 8.270 nan 0.000 0.464 428 R N 2.000 122.358 120.500 -0.237 0.000 2.316 428 R HA 0.167 4.508 4.340 0.001 0.000 0.314 428 R C -0.873 175.313 176.300 -0.189 0.000 1.069 428 R CA -0.117 55.743 56.100 -0.401 0.000 0.959 428 R CB 0.570 30.689 30.300 -0.301 0.000 0.987 428 R HN 0.292 nan 8.270 nan 0.000 0.446 429 V N 7.222 127.042 119.914 -0.156 0.000 2.370 429 V HA 0.287 4.408 4.120 0.001 0.000 0.279 429 V C -0.215 175.879 176.094 0.000 0.000 1.029 429 V CA -0.693 61.569 62.300 -0.063 0.000 0.870 429 V CB 1.372 33.164 31.823 -0.051 0.000 0.984 429 V HN 0.619 nan 8.190 nan 0.000 0.451 430 I N 5.861 126.448 120.570 0.028 0.000 2.330 430 I HA 0.358 4.529 4.170 0.001 0.000 0.289 430 I C -0.058 176.088 176.117 0.047 0.000 1.001 430 I CA -0.084 61.267 61.300 0.084 0.000 1.193 430 I CB 1.783 39.874 38.000 0.150 0.000 1.345 430 I HN 0.290 nan 8.210 nan 0.000 0.461 431 V N 7.676 127.619 119.914 0.047 0.000 2.347 431 V HA 0.397 4.518 4.120 0.001 0.000 0.280 431 V C -0.017 176.096 176.094 0.032 0.000 1.021 431 V CA -0.612 61.699 62.300 0.018 0.000 0.847 431 V CB 1.107 32.938 31.823 0.012 0.000 0.990 431 V HN 0.415 nan 8.190 nan 0.000 0.444 432 L N 4.932 126.178 121.223 0.038 0.000 2.277 432 L HA 0.639 4.980 4.340 0.001 0.000 0.284 432 L C 0.138 177.021 176.870 0.022 0.000 1.028 432 L CA 0.167 55.053 54.840 0.075 0.000 0.835 432 L CB 1.536 43.723 42.059 0.214 0.000 1.215 432 L HN 0.692 nan 8.230 nan 0.000 0.425 433 T N 1.803 116.336 114.554 -0.034 0.000 2.909 433 T HA 0.648 4.998 4.350 0.001 0.000 0.299 433 T C 0.096 174.722 174.700 -0.124 0.000 1.073 433 T CA -0.360 61.704 62.100 -0.061 0.000 0.999 433 T CB 1.649 70.483 68.868 -0.057 0.000 1.098 433 T HN 0.616 nan 8.240 nan 0.000 0.477 434 G N 1.707 110.455 108.800 -0.086 0.000 2.572 434 G HA2 0.330 4.290 3.960 0.001 0.000 0.261 434 G HA3 0.330 4.290 3.960 0.001 0.000 0.261 434 G C 0.801 175.603 174.900 -0.163 0.000 1.197 434 G CA -0.107 44.927 45.100 -0.110 0.000 0.870 434 G HN 0.843 nan 8.290 nan 0.000 0.548 435 D N -0.295 119.987 120.400 -0.196 0.000 2.183 435 D HA -0.056 4.585 4.640 0.001 0.000 0.203 435 D C 2.145 178.513 176.300 0.112 0.000 0.969 435 D CA 1.227 55.135 54.000 -0.152 0.000 0.842 435 D CB -0.799 39.975 40.800 -0.043 0.000 0.957 435 D HN 0.460 nan 8.370 nan 0.000 0.484 436 G N 0.785 109.645 108.800 0.100 0.000 2.404 436 G HA2 -0.105 3.856 3.960 0.001 0.000 0.215 436 G HA3 -0.105 3.856 3.960 0.001 0.000 0.215 436 G C 1.814 176.813 174.900 0.165 0.000 1.174 436 G CA 1.516 46.749 45.100 0.221 0.000 0.780 436 G HN 0.494 nan 8.290 nan 0.000 0.537 437 A N 1.362 124.245 122.820 0.106 0.000 1.883 437 A HA 0.200 4.521 4.320 0.001 0.000 0.217 437 A C 2.812 180.450 177.584 0.090 0.000 1.186 437 A CA 2.449 54.523 52.037 0.063 0.000 0.624 437 A CB -0.944 18.067 19.000 0.019 0.000 0.822 437 A HN 0.912 nan 8.150 nan 0.000 0.444 438 A N -0.748 122.143 122.820 0.120 0.000 2.076 438 A HA -0.211 4.109 4.320 0.001 0.000 0.220 438 A C 2.041 179.793 177.584 0.281 0.000 1.160 438 A CA 1.601 53.771 52.037 0.223 0.000 0.653 438 A CB -0.544 18.636 19.000 0.301 0.000 0.801 438 A HN 0.714 nan 8.150 nan 0.000 0.455 439 Q N -0.918 118.964 119.800 0.136 0.000 2.167 439 Q HA -0.092 4.249 4.340 0.001 0.000 0.202 439 Q C 1.650 177.758 176.000 0.179 0.000 0.970 439 Q CA 1.114 56.902 55.803 -0.025 0.000 0.855 439 Q CB -0.284 28.169 28.738 -0.476 0.000 0.911 439 Q HN 0.591 nan 8.270 nan 0.000 0.438 440 L N 0.068 121.377 121.223 0.143 0.000 2.201 440 L HA -0.093 4.248 4.340 0.001 0.000 0.212 440 L C 1.947 178.924 176.870 0.179 0.000 1.105 440 L CA 1.680 56.614 54.840 0.156 0.000 0.775 440 L CB -0.258 41.885 42.059 0.139 0.000 0.913 440 L HN 0.288 nan 8.230 nan 0.000 0.440 441 T N -5.422 109.244 114.554 0.186 0.000 3.337 441 T HA 0.170 4.521 4.350 0.001 0.000 0.299 441 T C 1.413 176.202 174.700 0.149 0.000 0.998 441 T CA -0.299 61.903 62.100 0.169 0.000 0.948 441 T CB -0.344 68.638 68.868 0.190 0.000 1.170 441 T HN -0.055 nan 8.240 nan 0.000 0.508 442 I N 3.039 123.735 120.570 0.209 0.000 2.185 442 I HA -0.265 3.906 4.170 0.001 0.000 0.246 442 I C 2.559 178.735 176.117 0.098 0.000 1.088 442 I CA 1.975 63.406 61.300 0.218 0.000 1.347 442 I CB -0.199 38.007 38.000 0.344 0.000 1.041 442 I HN 0.439 nan 8.210 nan 0.000 0.415 443 Q N -0.294 119.539 119.800 0.056 0.000 2.443 443 Q HA -0.247 4.093 4.340 0.001 0.000 0.213 443 Q C 1.625 177.589 176.000 -0.061 0.000 0.982 443 Q CA 1.494 57.292 55.803 -0.008 0.000 0.894 443 Q CB -0.753 27.977 28.738 -0.012 0.000 0.947 443 Q HN 0.499 nan 8.270 nan 0.000 0.480 444 E N 0.671 120.833 120.200 -0.063 0.000 2.427 444 E HA 0.001 4.351 4.350 0.001 0.000 0.196 444 E C 1.519 177.993 176.600 -0.210 0.000 1.028 444 E CA 0.006 56.291 56.400 -0.191 0.000 0.864 444 E CB -0.194 29.416 29.700 -0.150 0.000 0.813 444 E HN 0.329 nan 8.360 nan 0.000 0.514 445 L N -0.754 120.426 121.223 -0.072 0.000 2.201 445 L HA 0.079 4.420 4.340 0.001 0.000 0.212 445 L C 1.899 178.732 176.870 -0.062 0.000 1.105 445 L CA 1.951 56.775 54.840 -0.027 0.000 0.775 445 L CB -0.722 41.368 42.059 0.052 0.000 0.913 445 L HN 0.166 nan 8.230 nan 0.000 0.440 446 G N -1.658 107.091 108.800 -0.086 0.000 2.422 446 G HA2 -0.197 3.764 3.960 0.001 0.000 0.218 446 G HA3 -0.197 3.764 3.960 0.001 0.000 0.218 446 G C 1.542 176.368 174.900 -0.123 0.000 1.140 446 G CA 0.804 45.855 45.100 -0.081 0.000 0.775 446 G HN 0.472 nan 8.290 nan 0.000 0.545 447 S N 0.296 115.839 115.700 -0.262 0.000 2.387 447 S HA 0.012 4.483 4.470 0.001 0.000 0.226 447 S C 2.373 176.827 174.600 -0.243 0.000 1.026 447 S CA 0.933 58.896 58.200 -0.396 0.000 0.972 447 S CB -0.188 62.433 63.200 -0.964 0.000 0.814 447 S HN 0.347 nan 8.310 nan 0.000 0.477 448 M N 0.638 120.121 119.600 -0.194 0.000 2.086 448 M HA -0.092 4.389 4.480 0.001 0.000 0.261 448 M C 1.749 178.099 176.300 0.083 0.000 1.067 448 M CA 1.170 56.529 55.300 0.097 0.000 1.116 448 M CB -0.461 32.203 32.600 0.106 0.000 1.348 448 M HN 0.221 nan 8.290 nan 0.000 0.407 449 L N 0.142 121.384 121.223 0.032 0.000 1.994 449 L HA -0.185 4.156 4.340 0.001 0.000 0.208 449 L C 2.517 179.414 176.870 0.045 0.000 1.071 449 L CA 1.855 56.721 54.840 0.043 0.000 0.745 449 L CB -1.290 40.782 42.059 0.021 0.000 0.892 449 L HN 0.335 nan 8.230 nan 0.000 0.431 450 R N -0.182 120.334 120.500 0.026 0.000 2.103 450 R HA -0.178 4.162 4.340 0.001 0.000 0.242 450 R C 0.978 177.318 176.300 0.067 0.000 1.142 450 R CA 1.826 57.949 56.100 0.038 0.000 0.960 450 R CB -0.145 30.170 30.300 0.024 0.000 0.858 450 R HN 0.356 nan 8.270 nan 0.000 0.439 451 D N 0.692 121.154 120.400 0.103 0.000 2.328 451 D HA 0.021 4.661 4.640 0.001 0.000 0.226 451 D C -0.177 176.161 176.300 0.062 0.000 1.066 451 D CA 0.284 54.352 54.000 0.114 0.000 0.861 451 D CB 0.168 41.090 40.800 0.204 0.000 0.912 451 D HN 0.189 nan 8.370 nan 0.000 0.521 452 K N 0.882 121.313 120.400 0.052 0.000 3.156 452 K HA -0.228 4.093 4.320 0.001 0.000 0.266 452 K C -0.162 176.339 176.600 -0.166 0.000 0.966 452 K CA 0.410 56.705 56.287 0.013 0.000 0.719 452 K CB -1.403 31.119 32.500 0.038 0.000 1.333 452 K HN 0.403 nan 8.250 nan 0.000 0.468 453 Q N 0.342 120.091 119.800 -0.086 0.000 2.260 453 Q HA 0.193 4.534 4.340 0.001 0.000 0.238 453 Q C 0.178 176.112 176.000 -0.110 0.000 0.948 453 Q CA -0.449 55.258 55.803 -0.159 0.000 0.895 453 Q CB 0.701 29.459 28.738 0.034 0.000 1.218 453 Q HN 0.232 nan 8.270 nan 0.000 0.470 454 H N 0.516 119.664 119.070 0.130 0.000 2.351 454 H HA 0.327 4.884 4.556 0.001 0.000 0.232 454 H C -2.328 173.077 175.328 0.127 0.000 1.452 454 H CA -2.455 53.688 56.048 0.159 0.000 1.236 454 H CB -0.278 29.631 29.762 0.246 0.000 1.579 454 H HN 0.330 nan 8.280 nan 0.000 0.535 455 P HA -0.009 nan 4.420 nan 0.000 0.270 455 P C 0.371 177.766 177.300 0.157 0.000 1.223 455 P CA -0.309 62.866 63.100 0.126 0.000 0.785 455 P CB 0.973 32.737 31.700 0.106 0.000 0.923 456 I N 2.279 122.930 120.570 0.135 0.000 2.405 456 I HA 0.381 4.552 4.170 0.001 0.000 0.280 456 I C -1.084 175.099 176.117 0.111 0.000 1.027 456 I CA -0.435 60.957 61.300 0.154 0.000 1.161 456 I CB -0.198 37.919 38.000 0.196 0.000 1.300 456 I HN 0.114 nan 8.210 nan 0.000 0.463 457 I N 7.587 128.218 120.570 0.102 0.000 2.315 457 I HA 0.324 4.495 4.170 0.001 0.000 0.291 457 I C -0.910 175.230 176.117 0.040 0.000 1.006 457 I CA -0.654 60.688 61.300 0.069 0.000 1.265 457 I CB 1.165 39.211 38.000 0.078 0.000 1.387 457 I HN 0.423 nan 8.210 nan 0.000 0.475 458 L N 7.751 128.977 121.223 0.005 0.000 2.298 458 L HA 0.416 4.757 4.340 0.001 0.000 0.284 458 L C -0.290 176.495 176.870 -0.142 0.000 1.013 458 L CA -0.421 54.394 54.840 -0.042 0.000 0.824 458 L CB 1.601 43.666 42.059 0.011 0.000 1.221 458 L HN 0.255 nan 8.230 nan 0.000 0.418 459 V N 4.815 124.579 119.914 -0.250 0.000 2.350 459 V HA 0.308 4.429 4.120 0.001 0.000 0.276 459 V C 0.298 176.108 176.094 -0.474 0.000 1.028 459 V CA -0.585 61.439 62.300 -0.460 0.000 0.860 459 V CB 1.341 32.659 31.823 -0.842 0.000 0.990 459 V HN 0.480 nan 8.190 nan 0.000 0.453 460 L N 4.894 125.862 121.223 -0.426 0.000 2.385 460 L HA 0.319 4.659 4.340 0.001 0.000 0.285 460 L C 0.554 177.212 176.870 -0.354 0.000 1.125 460 L CA -0.072 54.517 54.840 -0.419 0.000 0.890 460 L CB -0.034 41.803 42.059 -0.370 0.000 1.251 460 L HN 0.577 nan 8.230 nan 0.000 0.445 461 N N 3.812 122.311 118.700 -0.335 0.000 2.482 461 N HA 0.040 4.780 4.740 0.001 0.000 0.242 461 N C 0.053 175.485 175.510 -0.129 0.000 1.100 461 N CA -0.261 52.655 53.050 -0.223 0.000 0.946 461 N CB 0.463 38.848 38.487 -0.169 0.000 1.227 461 N HN 0.544 nan 8.380 nan 0.000 0.508 462 N N 1.845 120.486 118.700 -0.099 0.000 2.351 462 N HA 0.083 4.824 4.740 0.001 0.000 0.254 462 N C -0.839 174.643 175.510 -0.046 0.000 1.241 462 N CA -0.363 52.647 53.050 -0.067 0.000 0.883 462 N CB -0.246 38.204 38.487 -0.061 0.000 1.202 462 N HN 0.411 nan 8.380 nan 0.000 0.512 463 E N -0.446 119.733 120.200 -0.035 0.000 2.269 463 E HA -0.160 4.191 4.350 0.001 0.000 0.223 463 E C 0.312 176.854 176.600 -0.097 0.000 1.244 463 E CA 0.736 57.111 56.400 -0.041 0.000 0.713 463 E CB -1.689 27.991 29.700 -0.033 0.000 1.178 463 E HN 0.815 nan 8.360 nan 0.000 0.370 464 G N -0.414 108.311 108.800 -0.124 0.000 2.325 464 G HA2 0.002 3.962 3.960 0.001 0.000 0.285 464 G HA3 0.002 3.962 3.960 0.001 0.000 0.285 464 G C -1.486 173.354 174.900 -0.099 0.000 1.303 464 G CA -0.768 44.182 45.100 -0.249 0.000 0.970 464 G HN 0.102 nan 8.290 nan 0.000 0.490 465 Y N 1.972 122.273 120.300 0.003 0.000 2.714 465 Y HA 0.391 4.942 4.550 0.001 0.000 0.333 465 Y C 2.220 178.133 175.900 0.021 0.000 1.220 465 Y CA -0.149 57.960 58.100 0.016 0.000 1.513 465 Y CB -0.000 38.482 38.460 0.037 0.000 1.435 465 Y HN 0.765 nan 8.280 nan 0.000 0.489 466 T N -3.113 111.525 114.554 0.140 0.000 2.833 466 T HA -0.171 4.179 4.350 0.001 0.000 0.269 466 T C 1.727 176.486 174.700 0.099 0.000 1.054 466 T CA 1.585 63.740 62.100 0.091 0.000 1.135 466 T CB -0.707 68.194 68.868 0.056 0.000 0.869 466 T HN 0.358 nan 8.240 nan 0.000 0.466 467 V N 0.610 120.593 119.914 0.116 0.000 2.343 467 V HA -0.093 4.027 4.120 0.001 0.000 0.247 467 V C 2.765 178.908 176.094 0.081 0.000 1.051 467 V CA 1.690 64.045 62.300 0.091 0.000 1.036 467 V CB -0.940 30.944 31.823 0.102 0.000 0.654 467 V HN 0.303 nan 8.190 nan 0.000 0.451 468 E N 0.931 121.201 120.200 0.116 0.000 2.077 468 E HA -0.164 4.187 4.350 0.001 0.000 0.193 468 E C 2.412 179.103 176.600 0.151 0.000 0.989 468 E CA 1.435 57.914 56.400 0.133 0.000 0.800 468 E CB -0.399 29.414 29.700 0.189 0.000 0.746 468 E HN 0.645 nan 8.360 nan 0.000 0.452 469 R N 0.576 121.157 120.500 0.134 0.000 2.105 469 R HA -0.071 4.270 4.340 0.001 0.000 0.239 469 R C 2.299 178.630 176.300 0.051 0.000 1.135 469 R CA 1.304 57.452 56.100 0.079 0.000 0.967 469 R CB -0.365 29.960 30.300 0.042 0.000 0.861 469 R HN 0.112 nan 8.270 nan 0.000 0.442 470 A N 0.809 123.659 122.820 0.050 0.000 2.015 470 A HA -0.080 4.240 4.320 0.001 0.000 0.219 470 A C 2.054 179.657 177.584 0.031 0.000 1.163 470 A CA 1.035 53.088 52.037 0.027 0.000 0.646 470 A CB -0.281 18.730 19.000 0.019 0.000 0.806 470 A HN 0.179 nan 8.150 nan 0.000 0.448 471 I N -2.403 118.202 120.570 0.058 0.000 2.339 471 I HA 0.035 4.206 4.170 0.001 0.000 0.245 471 I C 1.062 177.277 176.117 0.163 0.000 1.096 471 I CA 0.831 62.176 61.300 0.074 0.000 1.408 471 I CB 0.082 38.117 38.000 0.059 0.000 1.092 471 I HN 0.456 nan 8.210 nan 0.000 0.423 472 H N -0.498 118.608 119.070 0.060 0.000 3.081 472 H HA 0.212 4.769 4.556 0.001 0.000 0.322 472 H C -0.187 175.225 175.328 0.140 0.000 1.266 472 H CA 0.190 56.288 56.048 0.083 0.000 1.279 472 H CB 1.487 31.296 29.762 0.080 0.000 1.954 472 H HN 0.195 nan 8.280 nan 0.000 0.530 473 G N 2.005 110.589 108.800 -0.361 0.000 2.314 473 G HA2 -0.206 3.754 3.960 0.001 0.000 0.292 473 G HA3 -0.206 3.754 3.960 0.001 0.000 0.292 473 G C 1.152 175.970 174.900 -0.137 0.000 1.059 473 G CA 0.679 45.681 45.100 -0.162 0.000 0.982 473 G HN 1.040 nan 8.290 nan 0.000 0.505 474 A N -0.397 122.353 122.820 -0.117 0.000 1.986 474 A HA -0.018 4.303 4.320 0.001 0.000 0.220 474 A C 1.880 179.399 177.584 -0.109 0.000 1.171 474 A CA 2.062 54.051 52.037 -0.080 0.000 0.640 474 A CB -0.123 18.839 19.000 -0.063 0.000 0.811 474 A HN 0.691 nan 8.150 nan 0.000 0.451 475 E N -0.432 119.684 120.200 -0.140 0.000 2.499 475 E HA 0.081 4.431 4.350 0.001 0.000 0.199 475 E C -0.387 176.093 176.600 -0.199 0.000 1.016 475 E CA -0.348 55.969 56.400 -0.139 0.000 0.933 475 E CB 0.294 29.933 29.700 -0.102 0.000 1.050 475 E HN 0.507 nan 8.360 nan 0.000 0.462 476 Q N 0.879 120.482 119.800 -0.329 0.000 2.288 476 Q HA 0.133 4.474 4.340 0.001 0.000 0.254 476 Q C 0.831 176.525 176.000 -0.510 0.000 0.932 476 Q CA 0.126 55.609 55.803 -0.534 0.000 0.902 476 Q CB 1.482 29.559 28.738 -1.102 0.000 1.203 476 Q HN 0.165 nan 8.270 nan 0.000 0.415 477 R N 2.370 122.676 120.500 -0.324 0.000 2.139 477 R HA -0.218 4.122 4.340 0.001 0.000 0.243 477 R C 1.519 177.762 176.300 -0.096 0.000 1.145 477 R CA 1.906 57.910 56.100 -0.161 0.000 0.976 477 R CB -0.128 30.135 30.300 -0.061 0.000 0.866 477 R HN 0.681 nan 8.270 nan 0.000 0.449 478 Y N -1.496 118.825 120.300 0.035 0.000 2.639 478 Y HA 0.120 4.671 4.550 0.001 0.000 0.297 478 Y C 0.878 176.844 175.900 0.109 0.000 1.151 478 Y CA 0.219 58.359 58.100 0.068 0.000 1.335 478 Y CB -0.483 38.026 38.460 0.082 0.000 0.994 478 Y HN 0.002 nan 8.280 nan 0.000 0.548 479 N N 0.336 119.084 118.700 0.081 0.000 2.280 479 N HA 0.009 4.750 4.740 0.001 0.000 0.192 479 N C -0.700 174.692 175.510 -0.196 0.000 1.109 479 N CA 0.251 53.379 53.050 0.130 0.000 0.855 479 N CB 0.076 38.622 38.487 0.098 0.000 0.974 479 N HN 0.405 nan 8.380 nan 0.000 0.482 480 D N 0.653 120.936 120.400 -0.194 0.000 2.340 480 D HA 0.408 5.048 4.640 0.001 0.000 0.251 480 D C 0.786 176.883 176.300 -0.339 0.000 1.080 480 D CA -0.245 53.608 54.000 -0.244 0.000 0.971 480 D CB 1.710 42.426 40.800 -0.140 0.000 1.137 480 D HN 0.103 nan 8.370 nan 0.000 0.475 481 I N -3.455 116.932 120.570 -0.306 0.000 3.095 481 I HA 0.686 4.857 4.170 0.001 0.000 0.310 481 I C -0.638 175.373 176.117 -0.176 0.000 1.196 481 I CA -1.614 59.515 61.300 -0.285 0.000 0.985 481 I CB 1.888 39.645 38.000 -0.405 0.000 1.250 481 I HN 0.265 nan 8.210 nan 0.000 0.446 482 A N 4.205 126.942 122.820 -0.137 0.000 2.546 482 A HA 0.399 4.720 4.320 0.001 0.000 0.243 482 A C -0.091 177.436 177.584 -0.095 0.000 1.063 482 A CA -0.033 51.982 52.037 -0.036 0.000 0.757 482 A CB -0.225 18.848 19.000 0.122 0.000 0.991 482 A HN 0.644 nan 8.150 nan 0.000 0.503 483 L N 3.546 124.774 121.223 0.010 0.000 2.325 483 L HA 0.183 4.523 4.340 0.001 0.000 0.284 483 L C -0.372 176.586 176.870 0.146 0.000 1.089 483 L CA -0.496 54.364 54.840 0.033 0.000 0.836 483 L CB 0.153 42.234 42.059 0.036 0.000 1.184 483 L HN 0.717 nan 8.230 nan 0.000 0.444 484 W N 2.057 123.205 121.300 -0.254 0.000 2.332 484 W HA 0.220 4.881 4.660 0.001 0.000 0.351 484 W C 0.718 176.986 176.519 -0.418 0.000 1.195 484 W CA -1.244 55.811 57.345 -0.483 0.000 1.334 484 W CB 0.431 29.307 29.460 -0.974 0.000 1.206 484 W HN 0.438 nan 8.180 nan 0.000 0.637 485 N N 1.232 119.852 118.700 -0.134 0.000 3.234 485 N HA 0.074 4.815 4.740 0.001 0.000 0.272 485 N C 0.463 176.000 175.510 0.046 0.000 1.254 485 N CA -0.414 52.607 53.050 -0.048 0.000 1.087 485 N CB 0.055 38.449 38.487 -0.155 0.000 1.356 485 N HN 0.356 nan 8.380 nan 0.000 0.511 486 W N 0.324 121.732 121.300 0.179 0.000 2.290 486 W HA -0.279 4.382 4.660 0.001 0.000 0.318 486 W C 2.698 179.302 176.519 0.142 0.000 1.248 486 W CA 1.628 59.077 57.345 0.174 0.000 1.263 486 W CB -0.791 28.757 29.460 0.147 0.000 1.147 486 W HN 0.419 nan 8.180 nan 0.000 0.494 487 T N -3.588 111.193 114.554 0.377 0.000 3.051 487 T HA -0.175 4.175 4.350 0.001 0.000 0.269 487 T C 0.972 175.731 174.700 0.098 0.000 1.127 487 T CA 1.579 63.810 62.100 0.219 0.000 1.107 487 T CB -0.542 68.430 68.868 0.174 0.000 0.898 487 T HN 0.221 nan 8.240 nan 0.000 0.517 488 H N -0.487 118.598 119.070 0.026 0.000 2.586 488 H HA 0.492 5.048 4.556 0.001 0.000 0.273 488 H C 1.704 177.003 175.328 -0.048 0.000 0.997 488 H CA -0.500 55.532 56.048 -0.027 0.000 1.177 488 H CB -0.182 29.551 29.762 -0.048 0.000 1.471 488 H HN 0.340 nan 8.280 nan 0.000 0.538 489 I N 0.840 121.453 120.570 0.071 0.000 2.252 489 I HA -0.128 4.043 4.170 0.001 0.000 0.245 489 I C -0.633 175.483 176.117 -0.002 0.000 1.102 489 I CA 0.852 62.154 61.300 0.003 0.000 1.385 489 I CB -0.865 37.160 38.000 0.042 0.000 1.064 489 I HN 0.181 nan 8.210 nan 0.000 0.414 490 P HA -0.203 nan 4.420 nan 0.000 0.215 490 P C 1.170 178.455 177.300 -0.025 0.000 1.153 490 P CA 1.227 64.326 63.100 -0.001 0.000 0.853 490 P CB -0.166 31.534 31.700 -0.001 0.000 0.788 491 Q N -1.098 118.676 119.800 -0.044 0.000 2.515 491 Q HA 0.065 4.406 4.340 0.001 0.000 0.212 491 Q C 1.537 177.514 176.000 -0.038 0.000 0.970 491 Q CA 1.336 57.110 55.803 -0.048 0.000 0.941 491 Q CB -0.726 27.969 28.738 -0.073 0.000 0.998 491 Q HN 0.187 nan 8.270 nan 0.000 0.518 492 A N 0.872 123.668 122.820 -0.040 0.000 2.014 492 A HA 0.231 4.552 4.320 0.001 0.000 0.210 492 A C 1.725 179.276 177.584 -0.055 0.000 1.188 492 A CA -0.052 51.952 52.037 -0.055 0.000 0.731 492 A CB 0.127 19.077 19.000 -0.083 0.000 0.858 492 A HN 0.275 nan 8.150 nan 0.000 0.464 493 L N -0.028 121.167 121.223 -0.047 0.000 2.791 493 L HA 0.311 4.652 4.340 0.001 0.000 0.239 493 L C 0.345 177.199 176.870 -0.028 0.000 1.203 493 L CA 0.064 54.879 54.840 -0.042 0.000 1.002 493 L CB 0.146 42.180 42.059 -0.041 0.000 1.295 493 L HN 0.274 nan 8.230 nan 0.000 0.504 494 S N -0.987 114.699 115.700 -0.024 0.000 2.558 494 S HA 0.423 4.894 4.470 0.001 0.000 0.277 494 S C 0.198 174.789 174.600 -0.015 0.000 1.143 494 S CA -0.634 57.557 58.200 -0.014 0.000 0.865 494 S CB 1.262 64.459 63.200 -0.006 0.000 1.102 494 S HN 0.137 nan 8.310 nan 0.000 0.454 495 L N 1.551 122.769 121.223 -0.009 0.000 2.446 495 L HA 0.385 4.726 4.340 0.001 0.000 0.219 495 L C 0.387 177.252 176.870 -0.009 0.000 1.116 495 L CA 0.495 55.329 54.840 -0.010 0.000 0.844 495 L CB 0.144 42.200 42.059 -0.006 0.000 0.970 495 L HN 0.587 nan 8.230 nan 0.000 0.457 496 D N 0.066 120.464 120.400 -0.004 0.000 2.586 496 D HA 0.202 4.842 4.640 0.001 0.000 0.254 496 D C -2.559 173.743 176.300 0.004 0.000 1.248 496 D CA -1.396 52.603 54.000 -0.002 0.000 0.843 496 D CB 1.223 42.026 40.800 0.005 0.000 1.332 496 D HN -0.141 nan 8.370 nan 0.000 0.523 497 P HA 0.134 nan 4.420 nan 0.000 0.265 497 P C -0.268 177.038 177.300 0.010 0.000 1.222 497 P CA -0.090 63.011 63.100 0.001 0.000 0.767 497 P CB 0.518 32.206 31.700 -0.021 0.000 0.801 498 Q N 2.300 122.126 119.800 0.044 0.000 3.181 498 Q HA 0.270 4.610 4.340 0.001 0.000 0.293 498 Q C -0.183 175.856 176.000 0.065 0.000 1.406 498 Q CA 0.077 55.916 55.803 0.061 0.000 1.026 498 Q CB -0.546 28.264 28.738 0.120 0.000 1.630 498 Q HN 0.510 nan 8.270 nan 0.000 0.553 499 S N -0.580 115.128 115.700 0.013 0.000 2.671 499 S HA 0.740 5.211 4.470 0.001 0.000 0.277 499 S C -0.785 173.761 174.600 -0.091 0.000 1.165 499 S CA -1.139 57.061 58.200 -0.000 0.000 0.822 499 S CB 1.843 65.052 63.200 0.016 0.000 1.150 499 S HN 0.234 nan 8.310 nan 0.000 0.479 500 E N -0.489 119.630 120.200 -0.135 0.000 2.314 500 E HA 0.678 5.028 4.350 0.001 0.000 0.272 500 E C -1.507 174.783 176.600 -0.516 0.000 0.884 500 E CA -0.795 55.348 56.400 -0.429 0.000 0.753 500 E CB 2.097 31.531 29.700 -0.444 0.000 1.213 500 E HN 0.725 nan 8.360 nan 0.000 0.432 501 C N 2.326 121.158 119.300 -0.780 0.000 2.797 501 C HA 0.609 5.070 4.460 0.001 0.000 0.306 501 C C -1.164 173.474 174.990 -0.587 0.000 1.207 501 C CA -0.822 57.937 59.018 -0.432 0.000 1.507 501 C CB 0.993 28.616 27.740 -0.195 0.000 2.028 501 C HN 0.685 nan 8.230 nan 0.000 0.475 502 W N 1.273 122.587 121.300 0.023 0.000 3.256 502 W HA 0.476 5.136 4.660 0.001 0.000 0.324 502 W C -0.393 176.143 176.519 0.029 0.000 1.196 502 W CA -0.617 56.740 57.345 0.019 0.000 1.206 502 W CB 1.496 30.957 29.460 0.001 0.000 1.385 502 W HN 0.560 nan 8.180 nan 0.000 0.522 503 R N 1.848 122.501 120.500 0.255 0.000 2.312 503 R HA 0.613 4.954 4.340 0.001 0.000 0.311 503 R C -1.360 175.023 176.300 0.138 0.000 1.004 503 R CA -0.288 55.913 56.100 0.167 0.000 0.902 503 R CB 1.657 32.042 30.300 0.141 0.000 1.073 503 R HN 0.322 nan 8.270 nan 0.000 0.457 504 V N 3.397 123.355 119.914 0.074 0.000 2.588 504 V HA 0.201 4.322 4.120 0.001 0.000 0.304 504 V C 0.347 176.444 176.094 0.005 0.000 1.042 504 V CA -0.184 62.135 62.300 0.032 0.000 0.877 504 V CB 2.049 33.872 31.823 0.000 0.000 0.996 504 V HN 1.044 nan 8.190 nan 0.000 0.425 505 S N 2.164 117.867 115.700 0.005 0.000 2.649 505 S HA 0.367 4.838 4.470 0.001 0.000 0.246 505 S C 0.155 174.752 174.600 -0.005 0.000 1.057 505 S CA -0.454 57.744 58.200 -0.003 0.000 1.051 505 S CB 0.551 63.755 63.200 0.006 0.000 1.018 505 S HN 0.601 nan 8.310 nan 0.000 0.569 506 E N 1.244 121.441 120.200 -0.006 0.000 2.207 506 E HA 0.705 5.056 4.350 0.001 0.000 0.270 506 E C 0.631 177.221 176.600 -0.015 0.000 0.927 506 E CA -0.301 56.095 56.400 -0.008 0.000 0.799 506 E CB 1.560 31.256 29.700 -0.007 0.000 1.172 506 E HN 0.155 nan 8.360 nan 0.000 0.404 507 A N 2.159 124.972 122.820 -0.012 0.000 1.972 507 A HA -0.205 4.116 4.320 0.001 0.000 0.219 507 A C 1.603 179.165 177.584 -0.038 0.000 1.169 507 A CA 1.611 53.636 52.037 -0.020 0.000 0.635 507 A CB -0.304 18.690 19.000 -0.011 0.000 0.810 507 A HN 0.540 nan 8.150 nan 0.000 0.446 508 E N 0.205 120.385 120.200 -0.032 0.000 2.051 508 E HA -0.196 4.155 4.350 0.001 0.000 0.192 508 E C 2.179 178.743 176.600 -0.060 0.000 0.991 508 E CA 1.594 57.971 56.400 -0.039 0.000 0.799 508 E CB -0.335 29.350 29.700 -0.026 0.000 0.748 508 E HN 0.759 nan 8.360 nan 0.000 0.449 509 Q N 0.249 120.014 119.800 -0.058 0.000 2.124 509 Q HA -0.101 4.239 4.340 0.001 0.000 0.202 509 Q C 2.317 178.235 176.000 -0.137 0.000 0.977 509 Q CA 0.871 56.623 55.803 -0.085 0.000 0.850 509 Q CB -0.185 28.523 28.738 -0.050 0.000 0.901 509 Q HN 0.303 nan 8.270 nan 0.000 0.429 510 L N 0.352 121.508 121.223 -0.112 0.000 1.994 510 L HA -0.206 4.135 4.340 0.001 0.000 0.208 510 L C 2.341 179.091 176.870 -0.200 0.000 1.071 510 L CA 1.389 56.141 54.840 -0.147 0.000 0.745 510 L CB -0.504 41.498 42.059 -0.095 0.000 0.892 510 L HN 0.242 nan 8.230 nan 0.000 0.431 511 A N -0.219 122.511 122.820 -0.149 0.000 1.883 511 A HA -0.328 3.993 4.320 0.001 0.000 0.217 511 A C 1.913 179.408 177.584 -0.148 0.000 1.186 511 A CA 2.150 54.107 52.037 -0.133 0.000 0.624 511 A CB -0.875 18.077 19.000 -0.080 0.000 0.822 511 A HN 0.605 nan 8.150 nan 0.000 0.444 512 D N -0.433 119.878 120.400 -0.149 0.000 2.087 512 D HA -0.143 4.498 4.640 0.001 0.000 0.192 512 D C 1.849 177.989 176.300 -0.266 0.000 0.993 512 D CA 1.803 55.705 54.000 -0.163 0.000 0.828 512 D CB -0.446 40.268 40.800 -0.143 0.000 0.968 512 D HN 0.104 nan 8.370 nan 0.000 0.448 513 V N 0.493 120.166 119.914 -0.401 0.000 2.332 513 V HA -0.234 3.886 4.120 0.001 0.000 0.248 513 V C 2.712 178.506 176.094 -0.500 0.000 1.055 513 V CA 1.458 63.356 62.300 -0.671 0.000 1.038 513 V CB -0.489 30.828 31.823 -0.844 0.000 0.651 513 V HN 0.348 nan 8.190 nan 0.000 0.450 514 L N -0.179 120.798 121.223 -0.410 0.000 2.187 514 L HA -0.171 4.169 4.340 0.001 0.000 0.213 514 L C 2.627 179.423 176.870 -0.124 0.000 1.100 514 L CA 1.287 55.853 54.840 -0.458 0.000 0.765 514 L CB -0.593 41.065 42.059 -0.668 0.000 0.904 514 L HN 0.431 nan 8.230 nan 0.000 0.437 515 E N 0.246 120.398 120.200 -0.080 0.000 2.112 515 E HA -0.139 4.212 4.350 0.001 0.000 0.190 515 E C 2.026 178.643 176.600 0.027 0.000 0.979 515 E CA 0.776 57.198 56.400 0.036 0.000 0.814 515 E CB -0.097 29.602 29.700 -0.000 0.000 0.762 515 E HN 0.484 nan 8.360 nan 0.000 0.460 516 K N 0.903 121.252 120.400 -0.084 0.000 2.057 516 K HA -0.076 4.244 4.320 0.001 0.000 0.207 516 K C 2.166 178.786 176.600 0.032 0.000 1.049 516 K CA 1.555 57.805 56.287 -0.060 0.000 0.931 516 K CB -0.076 32.317 32.500 -0.177 0.000 0.714 516 K HN 0.132 nan 8.250 nan 0.000 0.440 517 V N -2.534 117.393 119.914 0.022 0.000 3.649 517 V HA 0.235 4.355 4.120 0.001 0.000 0.275 517 V C 1.941 178.206 176.094 0.285 0.000 1.281 517 V CA 0.775 63.167 62.300 0.153 0.000 1.143 517 V CB -0.152 31.749 31.823 0.129 0.000 0.892 517 V HN 0.143 nan 8.190 nan 0.000 0.441 518 A N 1.195 124.223 122.820 0.346 0.000 1.929 518 A HA -0.322 3.999 4.320 0.001 0.000 0.221 518 A C 1.821 179.568 177.584 0.271 0.000 1.211 518 A CA 2.856 55.138 52.037 0.408 0.000 0.657 518 A CB -1.117 18.115 19.000 0.387 0.000 0.827 518 A HN 0.800 nan 8.150 nan 0.000 0.462 519 H N -0.538 118.589 119.070 0.095 0.000 2.519 519 H HA 0.148 4.704 4.556 0.001 0.000 0.289 519 H C 0.268 175.384 175.328 -0.353 0.000 1.040 519 H CA 0.179 56.177 56.048 -0.083 0.000 1.165 519 H CB -0.637 29.054 29.762 -0.117 0.000 1.462 519 H HN 0.837 nan 8.280 nan 0.000 0.555 520 H N 0.273 119.449 119.070 0.178 0.000 2.111 520 H HA -0.196 4.360 4.556 0.001 0.000 0.315 520 H C -0.342 175.007 175.328 0.035 0.000 0.885 520 H CA 0.812 56.944 56.048 0.141 0.000 1.042 520 H CB -1.715 28.153 29.762 0.177 0.000 1.589 520 H HN 0.556 nan 8.280 nan 0.000 0.316 521 E N 0.945 121.085 120.200 -0.101 0.000 2.489 521 E HA 0.224 4.574 4.350 0.001 0.000 0.193 521 E C 0.606 176.828 176.600 -0.629 0.000 1.057 521 E CA 0.280 56.502 56.400 -0.296 0.000 0.866 521 E CB 0.559 30.171 29.700 -0.146 0.000 0.916 521 E HN 0.608 nan 8.360 nan 0.000 0.500 522 R N -0.083 120.183 120.500 -0.389 0.000 2.716 522 R HA 0.233 4.574 4.340 0.001 0.000 0.271 522 R C -1.520 174.870 176.300 0.151 0.000 1.028 522 R CA -1.031 54.935 56.100 -0.224 0.000 0.883 522 R CB 0.985 31.255 30.300 -0.051 0.000 1.250 522 R HN -0.023 nan 8.270 nan 0.000 0.465 523 L N 2.485 123.872 121.223 0.274 0.000 2.513 523 L HA 0.223 4.564 4.340 0.001 0.000 0.272 523 L C -0.500 176.474 176.870 0.173 0.000 1.187 523 L CA 0.923 55.902 54.840 0.233 0.000 0.895 523 L CB 0.468 42.638 42.059 0.185 0.000 1.147 523 L HN 0.745 nan 8.230 nan 0.000 0.483 524 S N 5.950 121.769 115.700 0.200 0.000 2.561 524 S HA 0.637 5.108 4.470 0.001 0.000 0.303 524 S C -0.857 173.868 174.600 0.209 0.000 1.110 524 S CA -0.920 57.422 58.200 0.238 0.000 1.034 524 S CB 2.021 65.435 63.200 0.356 0.000 1.010 524 S HN 0.565 nan 8.310 nan 0.000 0.482 525 L N 3.890 125.227 121.223 0.190 0.000 2.325 525 L HA 0.664 5.005 4.340 0.001 0.000 0.281 525 L C -1.320 175.679 176.870 0.214 0.000 1.004 525 L CA -0.962 53.977 54.840 0.166 0.000 0.823 525 L CB 0.829 42.971 42.059 0.138 0.000 1.236 525 L HN 0.831 nan 8.230 nan 0.000 0.415 526 I N 4.611 125.278 120.570 0.162 0.000 2.354 526 I HA 0.331 4.501 4.170 0.001 0.000 0.286 526 I C -0.060 176.078 176.117 0.034 0.000 1.007 526 I CA -0.487 60.902 61.300 0.149 0.000 1.167 526 I CB 1.590 39.639 38.000 0.082 0.000 1.320 526 I HN 0.617 nan 8.210 nan 0.000 0.458 527 E N 6.815 127.048 120.200 0.055 0.000 2.105 527 E HA 0.283 4.634 4.350 0.001 0.000 0.285 527 E C -1.181 175.377 176.600 -0.070 0.000 1.055 527 E CA -0.510 55.862 56.400 -0.048 0.000 0.843 527 E CB 1.052 30.792 29.700 0.066 0.000 1.067 527 E HN 0.388 nan 8.360 nan 0.000 0.398 528 V N 6.660 126.468 119.914 -0.177 0.000 2.334 528 V HA 0.151 4.271 4.120 0.001 0.000 0.267 528 V C 0.259 176.225 176.094 -0.212 0.000 1.040 528 V CA -0.649 61.532 62.300 -0.199 0.000 0.866 528 V CB 0.815 32.429 31.823 -0.348 0.000 1.019 528 V HN 0.789 nan 8.190 nan 0.000 0.468 529 M N 6.704 126.231 119.600 -0.122 0.000 2.227 529 M HA 0.445 4.926 4.480 0.001 0.000 0.349 529 M C -0.533 175.697 176.300 -0.116 0.000 1.443 529 M CA 0.454 55.697 55.300 -0.095 0.000 1.110 529 M CB -0.007 32.571 32.600 -0.037 0.000 1.773 529 M HN 0.413 nan 8.290 nan 0.000 0.463 530 L N 4.455 125.604 121.223 -0.124 0.000 2.350 530 L HA 0.593 4.934 4.340 0.001 0.000 0.260 530 L C -2.240 174.590 176.870 -0.067 0.000 1.015 530 L CA -2.069 52.703 54.840 -0.113 0.000 0.821 530 L CB 2.508 44.460 42.059 -0.177 0.000 1.370 530 L HN 0.409 nan 8.230 nan 0.000 0.416 531 P HA 0.050 nan 4.420 nan 0.000 0.268 531 P C 0.002 177.289 177.300 -0.023 0.000 1.204 531 P CA -0.223 62.862 63.100 -0.024 0.000 0.768 531 P CB 0.727 32.421 31.700 -0.010 0.000 0.842 532 K N 3.116 123.503 120.400 -0.022 0.000 2.160 532 K HA -0.190 4.130 4.320 0.001 0.000 0.206 532 K C 1.246 177.841 176.600 -0.008 0.000 1.047 532 K CA 1.882 58.157 56.287 -0.021 0.000 0.930 532 K CB -0.295 32.189 32.500 -0.026 0.000 0.720 532 K HN 0.490 nan 8.250 nan 0.000 0.450 533 A N 0.426 123.244 122.820 -0.004 0.000 2.390 533 A HA 0.066 4.387 4.320 0.001 0.000 0.232 533 A C -0.177 177.417 177.584 0.017 0.000 1.233 533 A CA -0.309 51.731 52.037 0.005 0.000 0.907 533 A CB 0.155 19.153 19.000 -0.002 0.000 0.967 533 A HN 0.283 nan 8.150 nan 0.000 0.512 534 D N 0.652 121.064 120.400 0.019 0.000 2.401 534 D HA 0.313 4.954 4.640 0.001 0.000 0.254 534 D C -0.984 175.352 176.300 0.061 0.000 1.192 534 D CA 0.596 54.618 54.000 0.037 0.000 0.885 534 D CB 0.279 41.098 40.800 0.032 0.000 1.147 534 D HN 0.097 nan 8.370 nan 0.000 0.478 535 I N 5.156 125.769 120.570 0.070 0.000 2.608 535 I HA 0.351 4.521 4.170 0.001 0.000 0.295 535 I C -2.161 174.020 176.117 0.107 0.000 1.049 535 I CA -2.389 58.964 61.300 0.087 0.000 1.063 535 I CB 2.119 40.151 38.000 0.053 0.000 1.248 535 I HN 0.244 nan 8.210 nan 0.000 0.424 536 P HA 0.277 nan 4.420 nan 0.000 0.274 536 P C -2.159 175.175 177.300 0.057 0.000 1.237 536 P CA -0.940 62.233 63.100 0.122 0.000 0.793 536 P CB 0.152 31.917 31.700 0.109 0.000 0.977 537 P HA -0.233 nan 4.420 nan 0.000 0.212 537 P C 1.487 178.778 177.300 -0.016 0.000 1.174 537 P CA 1.070 64.177 63.100 0.011 0.000 0.934 537 P CB -0.291 31.415 31.700 0.010 0.000 0.791 538 L N -1.057 120.152 121.223 -0.023 0.000 2.013 538 L HA -0.188 4.152 4.340 0.001 0.000 0.212 538 L C 2.222 179.026 176.870 -0.109 0.000 1.073 538 L CA 1.818 56.627 54.840 -0.053 0.000 0.753 538 L CB -1.574 40.475 42.059 -0.017 0.000 0.890 538 L HN -0.133 nan 8.230 nan 0.000 0.432 539 L N 0.161 121.335 121.223 -0.081 0.000 2.081 539 L HA -0.115 4.225 4.340 0.001 0.000 0.212 539 L C 2.347 179.131 176.870 -0.142 0.000 1.080 539 L CA 2.090 56.833 54.840 -0.162 0.000 0.754 539 L CB -1.484 40.570 42.059 -0.008 0.000 0.893 539 L HN 0.394 nan 8.230 nan 0.000 0.433 540 G N -1.323 107.432 108.800 -0.076 0.000 2.446 540 G HA2 -0.282 3.679 3.960 0.001 0.000 0.217 540 G HA3 -0.282 3.679 3.960 0.001 0.000 0.217 540 G C 1.606 176.455 174.900 -0.086 0.000 1.168 540 G CA 0.975 46.039 45.100 -0.061 0.000 0.771 540 G HN 0.641 nan 8.290 nan 0.000 0.551 541 A N 0.803 123.562 122.820 -0.101 0.000 1.845 541 A HA 0.035 4.356 4.320 0.001 0.000 0.215 541 A C 2.469 179.965 177.584 -0.146 0.000 1.195 541 A CA 1.504 53.477 52.037 -0.108 0.000 0.616 541 A CB -0.616 18.320 19.000 -0.106 0.000 0.832 541 A HN 0.343 nan 8.150 nan 0.000 0.443 542 L N -1.066 120.025 121.223 -0.220 0.000 2.081 542 L HA -0.198 4.143 4.340 0.001 0.000 0.212 542 L C 2.821 179.554 176.870 -0.227 0.000 1.080 542 L CA 1.857 56.525 54.840 -0.286 0.000 0.754 542 L CB -0.987 40.763 42.059 -0.515 0.000 0.893 542 L HN 0.423 nan 8.230 nan 0.000 0.433 543 T N -0.573 113.865 114.554 -0.193 0.000 2.746 543 T HA -0.225 4.126 4.350 0.001 0.000 0.267 543 T C 1.992 176.645 174.700 -0.078 0.000 1.039 543 T CA 1.477 63.504 62.100 -0.122 0.000 1.142 543 T CB 0.001 68.818 68.868 -0.085 0.000 0.866 543 T HN 0.223 nan 8.240 nan 0.000 0.444 544 K N 0.192 120.548 120.400 -0.073 0.000 2.148 544 K HA 0.036 4.356 4.320 0.001 0.000 0.204 544 K C 2.310 178.880 176.600 -0.050 0.000 1.050 544 K CA 1.061 57.319 56.287 -0.048 0.000 0.942 544 K CB -0.216 32.257 32.500 -0.044 0.000 0.724 544 K HN 0.301 nan 8.250 nan 0.000 0.446 545 A N 1.066 123.841 122.820 -0.076 0.000 1.929 545 A HA -0.061 4.259 4.320 0.001 0.000 0.216 545 A C 2.026 179.569 177.584 -0.069 0.000 1.176 545 A CA 0.838 52.830 52.037 -0.074 0.000 0.628 545 A CB -0.409 18.527 19.000 -0.108 0.000 0.816 545 A HN 0.256 nan 8.150 nan 0.000 0.444 546 L N -0.862 120.311 121.223 -0.084 0.000 2.017 546 L HA -0.187 4.154 4.340 0.001 0.000 0.208 546 L C 2.658 179.504 176.870 -0.040 0.000 1.073 546 L CA 1.995 56.791 54.840 -0.072 0.000 0.745 546 L CB -0.480 41.528 42.059 -0.084 0.000 0.894 546 L HN 0.554 nan 8.230 nan 0.000 0.432 547 E N 0.380 120.568 120.200 -0.020 0.000 2.204 547 E HA -0.162 4.188 4.350 0.001 0.000 0.194 547 E C 2.040 178.642 176.600 0.003 0.000 0.989 547 E CA 1.096 57.501 56.400 0.008 0.000 0.824 547 E CB 0.053 29.780 29.700 0.045 0.000 0.756 547 E HN 0.378 nan 8.360 nan 0.000 0.477 548 A N -0.194 122.623 122.820 -0.006 0.000 1.972 548 A HA -0.170 4.151 4.320 0.001 0.000 0.219 548 A C 2.339 179.923 177.584 -0.001 0.000 1.169 548 A CA 1.354 53.390 52.037 -0.002 0.000 0.635 548 A CB -0.783 18.213 19.000 -0.007 0.000 0.810 548 A HN 0.519 nan 8.150 nan 0.000 0.446 549 C N -0.137 119.158 119.300 -0.007 0.000 2.464 549 C HA 0.008 4.469 4.460 0.001 0.000 0.278 549 C C 2.287 177.270 174.990 -0.011 0.000 1.375 549 C CA 0.666 59.683 59.018 -0.002 0.000 1.761 549 C CB -1.256 26.482 27.740 -0.004 0.000 1.944 549 C HN 0.604 nan 8.230 nan 0.000 0.509 550 N N 1.633 120.319 118.700 -0.023 0.000 2.494 550 N HA 0.026 4.766 4.740 0.001 0.000 0.182 550 N C 0.191 175.684 175.510 -0.029 0.000 1.076 550 N CA 0.768 53.793 53.050 -0.041 0.000 0.908 550 N CB -0.115 38.331 38.487 -0.070 0.000 0.967 550 N HN 0.656 nan 8.380 nan 0.000 0.449 551 N N 0.000 118.694 118.700 -0.010 0.000 1.763 551 N HA 0.000 4.741 4.740 0.001 0.000 0.220 551 N CA 0.000 53.050 53.050 -0.001 0.000 0.885 551 N CB 0.000 38.494 38.487 0.012 0.000 1.341 551 N HN 0.000 nan 8.380 nan 0.000 0.667